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]([NH2+][C@@H](C)CC#N)c1ccc(F)cc1F ZINC000068607817 136209857 /nfs/dbraw/zinc/20/98/57/136209857.db2.gz XGPHOIHMELKLBG-DTWKUNHWSA-N 1 2 224.254 2.918 20 30 BFEDLO N#CCC[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000081044401 136211094 /nfs/dbraw/zinc/21/10/94/136211094.db2.gz VVIUEXRZGFSEKT-UHFFFAOYSA-N 1 2 232.302 2.951 20 30 BFEDLO N#CCC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000081044401 136211095 /nfs/dbraw/zinc/21/10/95/136211095.db2.gz VVIUEXRZGFSEKT-UHFFFAOYSA-N 1 2 232.302 2.951 20 30 BFEDLO C=CCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320357 398143436 /nfs/dbraw/zinc/14/34/36/398143436.db2.gz WDSYLTWBLUIAGW-SNVBAGLBSA-N 1 2 237.265 2.606 20 30 BFEDLO C=CCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000649320357 398143441 /nfs/dbraw/zinc/14/34/41/398143441.db2.gz WDSYLTWBLUIAGW-SNVBAGLBSA-N 1 2 237.265 2.606 20 30 BFEDLO C=CCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320356 398143497 /nfs/dbraw/zinc/14/34/97/398143497.db2.gz WDSYLTWBLUIAGW-JTQLQIEISA-N 1 2 237.265 2.606 20 30 BFEDLO C=CCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000649320356 398143501 /nfs/dbraw/zinc/14/35/01/398143501.db2.gz WDSYLTWBLUIAGW-JTQLQIEISA-N 1 2 237.265 2.606 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC000271026322 398143921 /nfs/dbraw/zinc/14/39/21/398143921.db2.gz DUMRMPGESOTFEL-UHFFFAOYSA-N 1 2 239.322 2.970 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC000271026322 398143924 /nfs/dbraw/zinc/14/39/24/398143924.db2.gz DUMRMPGESOTFEL-UHFFFAOYSA-N 1 2 239.322 2.970 20 30 BFEDLO C[N@H+](Cc1cccs1)Cc1nc(C#N)cs1 ZINC000356096261 187327103 /nfs/dbraw/zinc/32/71/03/187327103.db2.gz ZELJAFNWSDKKGD-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO C[N@@H+](Cc1cccs1)Cc1nc(C#N)cs1 ZINC000356096261 187327105 /nfs/dbraw/zinc/32/71/05/187327105.db2.gz ZELJAFNWSDKKGD-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO COc1cc(C)[nH+]c(CSCCC#N)c1 ZINC000413013383 398210589 /nfs/dbraw/zinc/21/05/89/398210589.db2.gz OBIXFIAKCFAFSZ-UHFFFAOYSA-N 1 2 222.313 2.546 20 30 BFEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)nc[nH+]1 ZINC000301460146 178179372 /nfs/dbraw/zinc/17/93/72/178179372.db2.gz UFJOHDQHYXEBIW-NSHDSACASA-N 1 2 238.294 2.830 20 30 BFEDLO C=C1CC[NH+](Cc2nc(CCC(C)C)no2)CC1 ZINC000341997388 136222544 /nfs/dbraw/zinc/22/25/44/136222544.db2.gz SUHSNQBKMRVVEU-UHFFFAOYSA-N 1 2 249.358 2.810 20 30 BFEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(F)F ZINC000421381589 192324722 /nfs/dbraw/zinc/32/47/22/192324722.db2.gz LKDJCRVJSLPLJQ-LLVKDONJSA-N 1 2 242.244 2.831 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)s1 ZINC000076342167 398236114 /nfs/dbraw/zinc/23/61/14/398236114.db2.gz BBXBALQLZIPYRP-VIFPVBQESA-N 1 2 208.330 2.791 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)s1 ZINC000076342167 398236116 /nfs/dbraw/zinc/23/61/16/398236116.db2.gz BBXBALQLZIPYRP-VIFPVBQESA-N 1 2 208.330 2.791 20 30 BFEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000258910211 349535021 /nfs/dbraw/zinc/53/50/21/349535021.db2.gz LZXPWCGLOYNABR-UHFFFAOYSA-N 1 2 238.693 2.872 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cnc(C)nc1C ZINC000602447746 349548646 /nfs/dbraw/zinc/54/86/46/349548646.db2.gz PADFMFNSMXPMTN-PWSUYJOCSA-N 1 2 246.358 2.636 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cnc(C)nc1C ZINC000602447746 349548647 /nfs/dbraw/zinc/54/86/47/349548647.db2.gz PADFMFNSMXPMTN-PWSUYJOCSA-N 1 2 246.358 2.636 20 30 BFEDLO C[C@@H](CCC#N)C[N@H+](CC(F)F)C1CC1 ZINC000602476610 349563612 /nfs/dbraw/zinc/56/36/12/349563612.db2.gz SSPFTPAESGWJPY-VIFPVBQESA-N 1 2 216.275 2.656 20 30 BFEDLO C[C@@H](CCC#N)C[N@@H+](CC(F)F)C1CC1 ZINC000602476610 349563614 /nfs/dbraw/zinc/56/36/14/349563614.db2.gz SSPFTPAESGWJPY-VIFPVBQESA-N 1 2 216.275 2.656 20 30 BFEDLO C=C[C@H]1CCCCN1c1cc(CC)[nH+]c(C)n1 ZINC000362852866 538953396 /nfs/dbraw/zinc/95/33/96/538953396.db2.gz JNKDMPVZDWUSRF-ZDUSSCGKSA-N 1 2 231.343 2.892 20 30 BFEDLO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615651747 398271812 /nfs/dbraw/zinc/27/18/12/398271812.db2.gz VJKBJKMCAIFFIH-BFHYXJOUSA-N 1 2 236.334 2.916 20 30 BFEDLO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615651747 398271816 /nfs/dbraw/zinc/27/18/16/398271816.db2.gz VJKBJKMCAIFFIH-BFHYXJOUSA-N 1 2 236.334 2.916 20 30 BFEDLO CC(C)c1cnc(C[NH2+]C[C@@H](C)C#N)s1 ZINC000183821379 346859615 /nfs/dbraw/zinc/85/96/15/346859615.db2.gz RAKROWHVTULHHH-VIFPVBQESA-N 1 2 223.345 2.516 20 30 BFEDLO CSc1ccc(NC[C@H](C)CCC#N)[nH+]c1 ZINC000602567963 349619536 /nfs/dbraw/zinc/61/95/36/349619536.db2.gz HDVQDEKBDCYIKS-SNVBAGLBSA-N 1 2 235.356 2.577 20 30 BFEDLO N#CC1(CNc2cc[nH+]c3ccccc23)CCC1 ZINC000335624035 136240440 /nfs/dbraw/zinc/24/04/40/136240440.db2.gz NXOAIVSHDAOEGC-UHFFFAOYSA-N 1 2 237.306 2.762 20 30 BFEDLO CN(C)c1cccc(-c2ccc(C#N)cc2)[nH+]1 ZINC000091365887 398292049 /nfs/dbraw/zinc/29/20/49/398292049.db2.gz HDMFKFCNIYUZQC-UHFFFAOYSA-N 1 2 223.279 2.686 20 30 BFEDLO C[N@H+](CCC(F)(F)F)Cc1ccccc1C#N ZINC000109120348 398294790 /nfs/dbraw/zinc/29/47/90/398294790.db2.gz MUMWMRGRYDWGJM-UHFFFAOYSA-N 1 2 242.244 2.942 20 30 BFEDLO C[N@@H+](CCC(F)(F)F)Cc1ccccc1C#N ZINC000109120348 398294793 /nfs/dbraw/zinc/29/47/93/398294793.db2.gz MUMWMRGRYDWGJM-UHFFFAOYSA-N 1 2 242.244 2.942 20 30 BFEDLO CC[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000171964985 398329235 /nfs/dbraw/zinc/32/92/35/398329235.db2.gz AFPPHYKUGPOTPF-WFASDCNBSA-N 1 2 244.338 2.558 20 30 BFEDLO CC[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000171964985 398329236 /nfs/dbraw/zinc/32/92/36/398329236.db2.gz AFPPHYKUGPOTPF-WFASDCNBSA-N 1 2 244.338 2.558 20 30 BFEDLO C[C@@H]([NH2+]C1CCC(C#N)CC1)C(F)(F)F ZINC000602662667 349682294 /nfs/dbraw/zinc/68/22/94/349682294.db2.gz QIBRDOWHMJTGDC-AFPNSQJFSA-N 1 2 220.238 2.609 20 30 BFEDLO C[C@@H](CCC#N)C[N@@H+]1CCCC(F)(F)C1 ZINC000602699180 349695449 /nfs/dbraw/zinc/69/54/49/349695449.db2.gz MQEHGLIXDNPNGM-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO C[C@@H](CCC#N)C[N@H+]1CCCC(F)(F)C1 ZINC000602699180 349695451 /nfs/dbraw/zinc/69/54/51/349695451.db2.gz MQEHGLIXDNPNGM-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO Cc1ccc(C[N@@H+](CCC#N)C(C)C)o1 ZINC000042251983 342995477 /nfs/dbraw/zinc/99/54/77/342995477.db2.gz RNIPZTPOFBXFTI-UHFFFAOYSA-N 1 2 206.289 2.712 20 30 BFEDLO Cc1ccc(C[N@H+](CCC#N)C(C)C)o1 ZINC000042251983 342995478 /nfs/dbraw/zinc/99/54/78/342995478.db2.gz RNIPZTPOFBXFTI-UHFFFAOYSA-N 1 2 206.289 2.712 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000602862020 349773587 /nfs/dbraw/zinc/77/35/87/349773587.db2.gz KIJVEECXGQQIRK-SECBINFHSA-N 1 2 247.323 2.795 20 30 BFEDLO C#CCCCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000177333523 187228652 /nfs/dbraw/zinc/22/86/52/187228652.db2.gz IRLRWLDNIKDFOL-UHFFFAOYSA-N 1 2 245.326 2.623 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000067446493 362030180 /nfs/dbraw/zinc/03/01/80/362030180.db2.gz FJXOOGZCAPTCJE-MNOVXSKESA-N 1 2 247.298 2.747 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000067446493 362030184 /nfs/dbraw/zinc/03/01/84/362030184.db2.gz FJXOOGZCAPTCJE-MNOVXSKESA-N 1 2 247.298 2.747 20 30 BFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC000602867197 349798858 /nfs/dbraw/zinc/79/88/58/349798858.db2.gz BSAKVFKZIYOAFN-UWVGGRQHSA-N 1 2 229.283 2.781 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)c1nc2ccccc2o1 ZINC000602867200 349799126 /nfs/dbraw/zinc/79/91/26/349799126.db2.gz BSAKVFKZIYOAFN-VHSXEESVSA-N 1 2 229.283 2.781 20 30 BFEDLO C[C@@H](CC#N)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000602869872 349801084 /nfs/dbraw/zinc/80/10/84/349801084.db2.gz QCCKTNFMTVPKMY-NSHDSACASA-N 1 2 232.714 2.583 20 30 BFEDLO CC[N@H+](CCc1cccs1)[C@@H](C)C#N ZINC000273041706 136282822 /nfs/dbraw/zinc/28/28/22/136282822.db2.gz PEDHUXAPPFWFQM-JTQLQIEISA-N 1 2 208.330 2.525 20 30 BFEDLO CC[N@@H+](CCc1cccs1)[C@@H](C)C#N ZINC000273041706 136282823 /nfs/dbraw/zinc/28/28/23/136282823.db2.gz PEDHUXAPPFWFQM-JTQLQIEISA-N 1 2 208.330 2.525 20 30 BFEDLO COc1ccc(Cl)c(C[NH2+][C@H](C)CC#N)c1 ZINC000602871442 349802728 /nfs/dbraw/zinc/80/27/28/349802728.db2.gz RIASGKPGRCYMCB-SECBINFHSA-N 1 2 238.718 2.740 20 30 BFEDLO Cc1sccc1C[N@@H+](C)[C@H](C)CC#N ZINC000295245120 136290413 /nfs/dbraw/zinc/29/04/13/136290413.db2.gz FIQDWMSILQEJST-SECBINFHSA-N 1 2 208.330 2.791 20 30 BFEDLO Cc1sccc1C[N@H+](C)[C@H](C)CC#N ZINC000295245120 136290414 /nfs/dbraw/zinc/29/04/14/136290414.db2.gz FIQDWMSILQEJST-SECBINFHSA-N 1 2 208.330 2.791 20 30 BFEDLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC#N ZINC000296677032 136290884 /nfs/dbraw/zinc/29/08/84/136290884.db2.gz LCJVPGFEJYDSIW-BZPMIXESSA-N 1 2 214.312 2.776 20 30 BFEDLO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC#N ZINC000296677032 136290885 /nfs/dbraw/zinc/29/08/85/136290885.db2.gz LCJVPGFEJYDSIW-BZPMIXESSA-N 1 2 214.312 2.776 20 30 BFEDLO NC(=[NH+]OCCCCF)c1cccc(Cl)c1 ZINC000285018744 136287352 /nfs/dbraw/zinc/28/73/52/136287352.db2.gz DRXQIUDIOVIEPG-UHFFFAOYSA-N 1 2 244.697 2.727 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccoc1C(=O)OC ZINC000489503630 259357508 /nfs/dbraw/zinc/35/75/08/259357508.db2.gz YWUZCXPTILCGEW-LBPRGKRZSA-N 1 2 249.310 2.607 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccoc1C(=O)OC ZINC000489503630 259357510 /nfs/dbraw/zinc/35/75/10/259357510.db2.gz YWUZCXPTILCGEW-LBPRGKRZSA-N 1 2 249.310 2.607 20 30 BFEDLO C=CCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000077238814 343368265 /nfs/dbraw/zinc/36/82/65/343368265.db2.gz ITRYPDDJGAHKBO-UHFFFAOYSA-N 1 2 208.211 2.891 20 30 BFEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000335667755 136311937 /nfs/dbraw/zinc/31/19/37/136311937.db2.gz KNMQQQLUTNWILB-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000335667755 136311938 /nfs/dbraw/zinc/31/19/38/136311938.db2.gz KNMQQQLUTNWILB-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO Cn1cc[nH+]c1CNc1ccc(C#N)cc1Cl ZINC000071274354 343646550 /nfs/dbraw/zinc/64/65/50/343646550.db2.gz PWXOLIJUOAJZFK-UHFFFAOYSA-N 1 2 246.701 2.557 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574173 192363943 /nfs/dbraw/zinc/36/39/43/192363943.db2.gz DSQJCBKBMYKCBN-NSHDSACASA-N 1 2 246.354 2.917 20 30 BFEDLO CCc1noc(C)c1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977978 349842224 /nfs/dbraw/zinc/84/22/24/349842224.db2.gz JPSMTBBNPMEGOJ-BXUZGUMPSA-N 1 2 247.342 2.670 20 30 BFEDLO CCc1noc(C)c1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977978 349842226 /nfs/dbraw/zinc/84/22/26/349842226.db2.gz JPSMTBBNPMEGOJ-BXUZGUMPSA-N 1 2 247.342 2.670 20 30 BFEDLO C[N@H+](Cc1cc(C2CC2)no1)[C@H]1CCC[C@H]1C#N ZINC000602982666 349835465 /nfs/dbraw/zinc/83/54/65/349835465.db2.gz WLMOROJDNGGKIV-FZMZJTMJSA-N 1 2 245.326 2.676 20 30 BFEDLO C[N@@H+](Cc1cc(C2CC2)no1)[C@H]1CCC[C@H]1C#N ZINC000602982666 349835469 /nfs/dbraw/zinc/83/54/69/349835469.db2.gz WLMOROJDNGGKIV-FZMZJTMJSA-N 1 2 245.326 2.676 20 30 BFEDLO CCc1noc(C)c1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977979 349842200 /nfs/dbraw/zinc/84/22/00/349842200.db2.gz JPSMTBBNPMEGOJ-FZMZJTMJSA-N 1 2 247.342 2.670 20 30 BFEDLO CCc1noc(C)c1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977979 349842202 /nfs/dbraw/zinc/84/22/02/349842202.db2.gz JPSMTBBNPMEGOJ-FZMZJTMJSA-N 1 2 247.342 2.670 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)cn1)[C@@H]1CCC[C@H]1C#N ZINC000602980623 349846112 /nfs/dbraw/zinc/84/61/12/349846112.db2.gz SJJMWHGESXHZNW-GXFFZTMASA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)cn1)[C@@H]1CCC[C@H]1C#N ZINC000602980623 349846114 /nfs/dbraw/zinc/84/61/14/349846114.db2.gz SJJMWHGESXHZNW-GXFFZTMASA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)cn1)[C@H]1CCC[C@H]1C#N ZINC000602980622 349846630 /nfs/dbraw/zinc/84/66/30/349846630.db2.gz SJJMWHGESXHZNW-GWCFXTLKSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)cn1)[C@H]1CCC[C@H]1C#N ZINC000602980622 349846632 /nfs/dbraw/zinc/84/66/32/349846632.db2.gz SJJMWHGESXHZNW-GWCFXTLKSA-N 1 2 249.745 2.859 20 30 BFEDLO Cc1cc(N2CCCC3(CC3)C2)c(C#N)c[nH+]1 ZINC000334582044 343893191 /nfs/dbraw/zinc/89/31/91/343893191.db2.gz UKHGKCFLLHXIQC-UHFFFAOYSA-N 1 2 227.311 2.642 20 30 BFEDLO Cc1cc(NC(=O)c2cc(C#N)cs2)cc[nH+]1 ZINC000175888996 343945094 /nfs/dbraw/zinc/94/50/94/343945094.db2.gz HMPLIHIMKOHMAW-UHFFFAOYSA-N 1 2 243.291 2.576 20 30 BFEDLO Cc1ccc(COc2cccnc2C#N)c(C)[nH+]1 ZINC000357052512 178644410 /nfs/dbraw/zinc/64/44/10/178644410.db2.gz JOUMIMVTPCMNGM-UHFFFAOYSA-N 1 2 239.278 2.544 20 30 BFEDLO CC[N@@H+](Cc1ccsc1)C[C@@H](C)C#N ZINC000042449585 344454703 /nfs/dbraw/zinc/45/47/03/344454703.db2.gz QMPVHHLIWCWDTQ-JTQLQIEISA-N 1 2 208.330 2.730 20 30 BFEDLO CC[N@H+](Cc1ccsc1)C[C@@H](C)C#N ZINC000042449585 344454704 /nfs/dbraw/zinc/45/47/04/344454704.db2.gz QMPVHHLIWCWDTQ-JTQLQIEISA-N 1 2 208.330 2.730 20 30 BFEDLO CC(C)(C)OCCCC[N@H+](CC#N)C1CC1 ZINC000354903609 534975667 /nfs/dbraw/zinc/97/56/67/534975667.db2.gz YIVMLPOMNNIBEO-UHFFFAOYSA-N 1 2 224.348 2.570 20 30 BFEDLO CC(C)(C)OCCCC[N@@H+](CC#N)C1CC1 ZINC000354903609 534975672 /nfs/dbraw/zinc/97/56/72/534975672.db2.gz YIVMLPOMNNIBEO-UHFFFAOYSA-N 1 2 224.348 2.570 20 30 BFEDLO CC#CCC[N@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000155737368 187296418 /nfs/dbraw/zinc/29/64/18/187296418.db2.gz QEBHAOOFDHNEKP-AWEZNQCLSA-N 1 2 247.338 2.629 20 30 BFEDLO CC#CCC[N@@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000155737368 187296420 /nfs/dbraw/zinc/29/64/20/187296420.db2.gz QEBHAOOFDHNEKP-AWEZNQCLSA-N 1 2 247.338 2.629 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157884825 187297175 /nfs/dbraw/zinc/29/71/75/187297175.db2.gz ZZNJKGCEACFDKS-NSHDSACASA-N 1 2 223.341 2.698 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157884825 187297177 /nfs/dbraw/zinc/29/71/77/187297177.db2.gz ZZNJKGCEACFDKS-NSHDSACASA-N 1 2 223.341 2.698 20 30 BFEDLO C[C@H](/[NH+]=C/c1ccccc1O)C1CCOCC1 ZINC000122894284 344978863 /nfs/dbraw/zinc/97/88/63/344978863.db2.gz CSRRQDCELNGQPB-KBVGCWLLSA-N 1 2 233.311 2.626 20 30 BFEDLO C=CCCCCC[N@@H+](C)Cc1noc(CC)n1 ZINC000150876024 187299171 /nfs/dbraw/zinc/29/91/71/187299171.db2.gz PFIBBTBYRYXVJR-UHFFFAOYSA-N 1 2 237.347 2.810 20 30 BFEDLO C=CCCCCC[N@H+](C)Cc1noc(CC)n1 ZINC000150876024 187299172 /nfs/dbraw/zinc/29/91/72/187299172.db2.gz PFIBBTBYRYXVJR-UHFFFAOYSA-N 1 2 237.347 2.810 20 30 BFEDLO Cc1cc(NC2CCC3(CC3)CC2)c(C#N)c[nH+]1 ZINC000425254188 192085114 /nfs/dbraw/zinc/08/51/14/192085114.db2.gz DVPAAPAVXFKEEO-UHFFFAOYSA-N 1 2 241.338 2.818 20 30 BFEDLO CC#CCCSc1[nH+]cc2ccccn21 ZINC000155102721 345066165 /nfs/dbraw/zinc/06/61/65/345066165.db2.gz PQOOANFXRDPETL-UHFFFAOYSA-N 1 2 216.309 2.840 20 30 BFEDLO Cc1cc(N2CC[C@@H](CC3CC3)C2)c(C#N)c[nH+]1 ZINC000425271144 192087246 /nfs/dbraw/zinc/08/72/46/192087246.db2.gz UZTMWSMKCMGJOU-ZDUSSCGKSA-N 1 2 241.338 2.888 20 30 BFEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc(C)[nH+]c1C ZINC000136275672 345495294 /nfs/dbraw/zinc/49/52/94/345495294.db2.gz PWOSREOLZJCBGN-ZDUSSCGKSA-N 1 2 231.299 2.577 20 30 BFEDLO CC(C)C(C[N@@H+]1CC[C@](F)(C#N)C1)C(C)C ZINC000585767565 345988992 /nfs/dbraw/zinc/98/89/92/345988992.db2.gz RQDQFAYYKPXEON-ZDUSSCGKSA-N 1 2 226.339 2.852 20 30 BFEDLO CC(C)C(C[N@H+]1CC[C@](F)(C#N)C1)C(C)C ZINC000585767565 345988994 /nfs/dbraw/zinc/98/89/94/345988994.db2.gz RQDQFAYYKPXEON-ZDUSSCGKSA-N 1 2 226.339 2.852 20 30 BFEDLO CC[C@H]([NH2+]Cc1ccc(C#N)s1)C(F)F ZINC000449361484 201884980 /nfs/dbraw/zinc/88/49/80/201884980.db2.gz KROFNPUREHKUHJ-VIFPVBQESA-N 1 2 230.283 2.753 20 30 BFEDLO C=CCCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635839633 346083071 /nfs/dbraw/zinc/08/30/71/346083071.db2.gz GDDBVNFLEKYJFV-ZDUSSCGKSA-N 1 2 249.358 2.505 20 30 BFEDLO C=CCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635872144 346093553 /nfs/dbraw/zinc/09/35/53/346093553.db2.gz LOXZQEQVQQUMJG-ZDUSSCGKSA-N 1 2 249.358 2.553 20 30 BFEDLO C=C[C@H]1CCCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628254047 346234737 /nfs/dbraw/zinc/23/47/37/346234737.db2.gz JXGSDMMBJSTEGN-LBPRGKRZSA-N 1 2 219.332 2.567 20 30 BFEDLO CCc1nc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)cs1 ZINC000574929699 346417872 /nfs/dbraw/zinc/41/78/72/346417872.db2.gz OOKYTNGCWWFADE-ZYHUDNBSSA-N 1 2 249.383 2.830 20 30 BFEDLO CCc1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cs1 ZINC000574929699 346417873 /nfs/dbraw/zinc/41/78/73/346417873.db2.gz OOKYTNGCWWFADE-ZYHUDNBSSA-N 1 2 249.383 2.830 20 30 BFEDLO CCCCc1cc(N[C@@H]2CC[C@H](C#N)C2)nc[nH+]1 ZINC000601179518 346610117 /nfs/dbraw/zinc/61/01/17/346610117.db2.gz WWXCEIAHDSCZCV-WCQYABFASA-N 1 2 244.342 2.923 20 30 BFEDLO CCC[N@@H+](CC#N)CCCOCc1ccccc1 ZINC000182397886 346796904 /nfs/dbraw/zinc/79/69/04/346796904.db2.gz ANJODNXZPOMIOF-UHFFFAOYSA-N 1 2 246.354 2.829 20 30 BFEDLO CCC[N@H+](CC#N)CCCOCc1ccccc1 ZINC000182397886 346796906 /nfs/dbraw/zinc/79/69/06/346796906.db2.gz ANJODNXZPOMIOF-UHFFFAOYSA-N 1 2 246.354 2.829 20 30 BFEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1nc(C)cs1 ZINC000310023364 347219736 /nfs/dbraw/zinc/21/97/36/347219736.db2.gz OHRWDXPPGYAXDZ-JTQLQIEISA-N 1 2 235.356 2.796 20 30 BFEDLO N#CCC[N@H+](CC[C@@H]1CCCO1)Cc1ccco1 ZINC000189498686 347303753 /nfs/dbraw/zinc/30/37/53/347303753.db2.gz IYLRLNAAZJHACY-ZDUSSCGKSA-N 1 2 248.326 2.564 20 30 BFEDLO N#CCC[N@@H+](CC[C@@H]1CCCO1)Cc1ccco1 ZINC000189498686 347303756 /nfs/dbraw/zinc/30/37/56/347303756.db2.gz IYLRLNAAZJHACY-ZDUSSCGKSA-N 1 2 248.326 2.564 20 30 BFEDLO N#CCC[N@H+](CC[C@H]1CCCO1)Cc1ccco1 ZINC000189498708 347303896 /nfs/dbraw/zinc/30/38/96/347303896.db2.gz IYLRLNAAZJHACY-CYBMUJFWSA-N 1 2 248.326 2.564 20 30 BFEDLO N#CCC[N@@H+](CC[C@H]1CCCO1)Cc1ccco1 ZINC000189498708 347303898 /nfs/dbraw/zinc/30/38/98/347303898.db2.gz IYLRLNAAZJHACY-CYBMUJFWSA-N 1 2 248.326 2.564 20 30 BFEDLO C#CC[N@@H+](C)Cc1cccc(Cl)c1F ZINC000192221610 347370400 /nfs/dbraw/zinc/37/04/00/347370400.db2.gz RRPBLMBUUOIUSC-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO C#CC[N@H+](C)Cc1cccc(Cl)c1F ZINC000192221610 347370402 /nfs/dbraw/zinc/37/04/02/347370402.db2.gz RRPBLMBUUOIUSC-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO COc1ccc(NC2CCC(C)(C#N)CC2)[nH+]c1 ZINC000590646815 347485481 /nfs/dbraw/zinc/48/54/81/347485481.db2.gz WXHFGURXHINIOV-UHFFFAOYSA-N 1 2 245.326 2.975 20 30 BFEDLO Cc1cnccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590649051 347485861 /nfs/dbraw/zinc/48/58/61/347485861.db2.gz OIKQJAGRIMQNIQ-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1cnccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590649051 347485865 /nfs/dbraw/zinc/48/58/65/347485865.db2.gz OIKQJAGRIMQNIQ-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1nsc(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000590603978 347476793 /nfs/dbraw/zinc/47/67/93/347476793.db2.gz VUYAOCGARCKVQZ-UHFFFAOYSA-N 1 2 249.383 2.886 20 30 BFEDLO Cc1nsc(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000590603978 347476795 /nfs/dbraw/zinc/47/67/95/347476795.db2.gz VUYAOCGARCKVQZ-UHFFFAOYSA-N 1 2 249.383 2.886 20 30 BFEDLO C=C[C@@H]([NH2+][C@H](CCC)C1CCCC1)C(=O)OC ZINC000591377342 347651310 /nfs/dbraw/zinc/65/13/10/347651310.db2.gz PGJGDCJOTCFOCV-CHWSQXEVSA-N 1 2 239.359 2.663 20 30 BFEDLO Cc1cc([NH2+]C[C@H](C#N)CCC#N)c(C)cc1O ZINC000591777022 347698432 /nfs/dbraw/zinc/69/84/32/347698432.db2.gz SQSNRMQHQMFZDY-LBPRGKRZSA-N 1 2 243.310 2.865 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2cccnc2C1 ZINC000591846170 347706132 /nfs/dbraw/zinc/70/61/32/347706132.db2.gz PSIRXBHKGUSARZ-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2cccnc2C1 ZINC000591846170 347706136 /nfs/dbraw/zinc/70/61/36/347706136.db2.gz PSIRXBHKGUSARZ-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO CC(C)Oc1cc[nH+]c(CN(C)[C@H](C)CC#N)c1 ZINC000593015127 347844278 /nfs/dbraw/zinc/84/42/78/347844278.db2.gz NBDYJFSEBCMUPP-GFCCVEGCSA-N 1 2 247.342 2.603 20 30 BFEDLO CC[C@@H](OCC[N@H+](C)CCC#N)c1ccccc1 ZINC000593014823 347844495 /nfs/dbraw/zinc/84/44/95/347844495.db2.gz FHVMDRARHGCVRM-OAHLLOKOSA-N 1 2 246.354 3.000 20 30 BFEDLO CC[C@@H](OCC[N@@H+](C)CCC#N)c1ccccc1 ZINC000593014823 347844497 /nfs/dbraw/zinc/84/44/97/347844497.db2.gz FHVMDRARHGCVRM-OAHLLOKOSA-N 1 2 246.354 3.000 20 30 BFEDLO CCN(CCC#N)Cc1cc(OC(C)C)cc[nH+]1 ZINC000593015935 347845260 /nfs/dbraw/zinc/84/52/60/347845260.db2.gz DGIDUBQHXBNZDC-UHFFFAOYSA-N 1 2 247.342 2.604 20 30 BFEDLO Cc1[nH+]ccc(NCC2(C#N)CCCC2)c1Cl ZINC000593484441 347897412 /nfs/dbraw/zinc/89/74/12/347897412.db2.gz IBMPNRZMQFVQEJ-UHFFFAOYSA-N 1 2 249.745 2.961 20 30 BFEDLO CCc1cnc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000593653801 347922035 /nfs/dbraw/zinc/92/20/35/347922035.db2.gz ZFQRENRVUIEODH-UHFFFAOYSA-N 1 2 249.383 2.879 20 30 BFEDLO Cc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)nc1 ZINC000594028146 347992049 /nfs/dbraw/zinc/99/20/49/347992049.db2.gz ISIFGLUJKVMSEW-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO Cc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)nc1 ZINC000594028146 347992051 /nfs/dbraw/zinc/99/20/51/347992051.db2.gz ISIFGLUJKVMSEW-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO C=C1CC[NH+](Cc2cn3cccc(C)c3n2)CC1 ZINC000594733846 348109929 /nfs/dbraw/zinc/10/99/29/348109929.db2.gz ZVMDYFNOXQXNQE-UHFFFAOYSA-N 1 2 241.338 2.795 20 30 BFEDLO Cc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)o1 ZINC000594610325 348082008 /nfs/dbraw/zinc/08/20/08/348082008.db2.gz BUYYMAHDSCJHOU-UHFFFAOYSA-N 1 2 238.290 2.976 20 30 BFEDLO Cc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)o1 ZINC000594610325 348082014 /nfs/dbraw/zinc/08/20/14/348082014.db2.gz BUYYMAHDSCJHOU-UHFFFAOYSA-N 1 2 238.290 2.976 20 30 BFEDLO CSc1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000595300674 348218932 /nfs/dbraw/zinc/21/89/32/348218932.db2.gz FFYKUUBWEWPTNV-LLVKDONJSA-N 1 2 234.368 3.000 20 30 BFEDLO CSc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000595300674 348218934 /nfs/dbraw/zinc/21/89/34/348218934.db2.gz FFYKUUBWEWPTNV-LLVKDONJSA-N 1 2 234.368 3.000 20 30 BFEDLO N#C[C@H](c1ccccc1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000595339362 348221485 /nfs/dbraw/zinc/22/14/85/348221485.db2.gz NNCDXQHMLPMQHR-SOUVJXGZSA-N 1 2 226.323 2.983 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccncn1 ZINC000595092190 348192570 /nfs/dbraw/zinc/19/25/70/348192570.db2.gz YRMSEGHVQXITPR-GFCCVEGCSA-N 1 2 244.342 2.601 20 30 BFEDLO C[N@H+](CC1CCOCC1)[C@H](C#N)c1ccccc1 ZINC000595407131 348240738 /nfs/dbraw/zinc/24/07/38/348240738.db2.gz HRROEBDMZMJXOV-OAHLLOKOSA-N 1 2 244.338 2.610 20 30 BFEDLO C[N@@H+](CC1CCOCC1)[C@H](C#N)c1ccccc1 ZINC000595407131 348240742 /nfs/dbraw/zinc/24/07/42/348240742.db2.gz HRROEBDMZMJXOV-OAHLLOKOSA-N 1 2 244.338 2.610 20 30 BFEDLO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615009 348288344 /nfs/dbraw/zinc/28/83/44/348288344.db2.gz NVLTUARSFJCTTC-CYBMUJFWSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)n1ccnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615009 348288345 /nfs/dbraw/zinc/28/83/45/348288345.db2.gz NVLTUARSFJCTTC-CYBMUJFWSA-N 1 2 246.358 2.590 20 30 BFEDLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595621781 348290979 /nfs/dbraw/zinc/29/09/79/348290979.db2.gz YSVFMZSYHVNABH-NEPJUHHUSA-N 1 2 233.315 2.670 20 30 BFEDLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595621781 348290983 /nfs/dbraw/zinc/29/09/83/348290983.db2.gz YSVFMZSYHVNABH-NEPJUHHUSA-N 1 2 233.315 2.670 20 30 BFEDLO C[C@H](C#N)[N@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000595710023 348321386 /nfs/dbraw/zinc/32/13/86/348321386.db2.gz LWXMUBIQQACXMG-ZJUUUORDSA-N 1 2 228.286 2.798 20 30 BFEDLO C[C@H](C#N)[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000595710023 348321387 /nfs/dbraw/zinc/32/13/87/348321387.db2.gz LWXMUBIQQACXMG-ZJUUUORDSA-N 1 2 228.286 2.798 20 30 BFEDLO C[C@@H](C#N)[N@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000595710021 348321629 /nfs/dbraw/zinc/32/16/29/348321629.db2.gz LWXMUBIQQACXMG-UWVGGRQHSA-N 1 2 228.286 2.798 20 30 BFEDLO C[C@@H](C#N)[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000595710021 348321632 /nfs/dbraw/zinc/32/16/32/348321632.db2.gz LWXMUBIQQACXMG-UWVGGRQHSA-N 1 2 228.286 2.798 20 30 BFEDLO C[C@H](C#N)[N@H+](CCCC1CCC1)C1CC1 ZINC000595711402 348323833 /nfs/dbraw/zinc/32/38/33/348323833.db2.gz ZVYMMGMOQVCZKS-LLVKDONJSA-N 1 2 206.333 2.943 20 30 BFEDLO C[C@H](C#N)[N@@H+](CCCC1CCC1)C1CC1 ZINC000595711402 348323834 /nfs/dbraw/zinc/32/38/34/348323834.db2.gz ZVYMMGMOQVCZKS-LLVKDONJSA-N 1 2 206.333 2.943 20 30 BFEDLO C[C@H](C#N)[N@H+](CCCOC(C)(C)C)C1CC1 ZINC000595720889 348327588 /nfs/dbraw/zinc/32/75/88/348327588.db2.gz NECQFOCNPUUYBQ-LLVKDONJSA-N 1 2 224.348 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CC[N@H+](Cc1cncc(Cl)c1)C[C@@H](C)C#N ZINC000598590908 348997869 /nfs/dbraw/zinc/99/78/69/348997869.db2.gz SDYMSCOBZFCKFQ-JTQLQIEISA-N 1 2 237.734 2.717 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C)c(C#N)c1 ZINC000599428423 349186608 /nfs/dbraw/zinc/18/66/08/349186608.db2.gz JIWHLTGCJDOTAV-UHFFFAOYSA-N 1 2 239.322 2.768 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc(C)c(C#N)c1 ZINC000599428423 349186611 /nfs/dbraw/zinc/18/66/11/349186611.db2.gz JIWHLTGCJDOTAV-UHFFFAOYSA-N 1 2 239.322 2.768 20 30 BFEDLO Cc1cc(C)cc(OCC[N@@H+](C)[C@H](C)CC#N)c1 ZINC000604305107 350100421 /nfs/dbraw/zinc/10/04/21/350100421.db2.gz UFXGGEJAFDYXBQ-CQSZACIVSA-N 1 2 246.354 2.916 20 30 BFEDLO Cc1cc(C)cc(OCC[N@H+](C)[C@H](C)CC#N)c1 ZINC000604305107 350100425 /nfs/dbraw/zinc/10/04/25/350100425.db2.gz UFXGGEJAFDYXBQ-CQSZACIVSA-N 1 2 246.354 2.916 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](CC)C1CCCCC1)C(=O)OC ZINC000304189512 350152862 /nfs/dbraw/zinc/15/28/62/350152862.db2.gz AWEXLKXCXYDDKF-STQMWFEESA-N 1 2 239.359 2.663 20 30 BFEDLO C=C[C@@H]([NH2+][C@@H](CC)C1CCCCC1)C(=O)OC ZINC000304189511 350153075 /nfs/dbraw/zinc/15/30/75/350153075.db2.gz AWEXLKXCXYDDKF-QWHCGFSZSA-N 1 2 239.359 2.663 20 30 BFEDLO CC1(C#N)C[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000335178510 350300182 /nfs/dbraw/zinc/30/01/82/350300182.db2.gz XWLWGWGYGWXHFU-UHFFFAOYSA-N 1 2 225.295 2.513 20 30 BFEDLO CC(C)n1cc[nH+]c1CN(C[C@H](C)C#N)C1CC1 ZINC000336709628 350461347 /nfs/dbraw/zinc/46/13/47/350461347.db2.gz MFOAHFFGLIVOEP-GFCCVEGCSA-N 1 2 246.358 2.588 20 30 BFEDLO N#CCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000051373124 350628975 /nfs/dbraw/zinc/62/89/75/350628975.db2.gz JINNJQYSUCNUJF-NSHDSACASA-N 1 2 206.314 2.799 20 30 BFEDLO N#CCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000051373124 350628977 /nfs/dbraw/zinc/62/89/77/350628977.db2.gz JINNJQYSUCNUJF-NSHDSACASA-N 1 2 206.314 2.799 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)(F)F ZINC000389455554 350947383 /nfs/dbraw/zinc/94/73/83/350947383.db2.gz XQFHRCRBQZKHSX-SSDOTTSWSA-N 1 2 230.283 2.753 20 30 BFEDLO C=CC1CC[NH+](Cc2noc(C(C)(C)C)n2)CC1 ZINC000111256421 191130232 /nfs/dbraw/zinc/13/02/32/191130232.db2.gz MXFZJQAUWDKXKQ-UHFFFAOYSA-N 1 2 249.358 2.765 20 30 BFEDLO C=C(Br)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000306835558 351147091 /nfs/dbraw/zinc/14/70/91/351147091.db2.gz RMZLTABABVCPQM-SNVBAGLBSA-N 1 2 243.148 2.521 20 30 BFEDLO C=C(Br)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000306835558 351147095 /nfs/dbraw/zinc/14/70/95/351147095.db2.gz RMZLTABABVCPQM-SNVBAGLBSA-N 1 2 243.148 2.521 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000306882619 351288674 /nfs/dbraw/zinc/28/86/74/351288674.db2.gz JEBQTRRKGXXZOO-CMWXKVOJSA-N 1 2 233.142 2.931 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000306882619 351288676 /nfs/dbraw/zinc/28/86/76/351288676.db2.gz JEBQTRRKGXXZOO-CMWXKVOJSA-N 1 2 233.142 2.931 20 30 BFEDLO CC[C@H]([NH2+]CCC#N)c1ccccc1F ZINC000168115143 351299032 /nfs/dbraw/zinc/29/90/32/351299032.db2.gz GXVJHGPNMDFFIC-LBPRGKRZSA-N 1 2 206.264 2.780 20 30 BFEDLO 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Cc1nc(NCC2CCC(C#N)CC2)cc[nH+]1 ZINC000281641159 351902309 /nfs/dbraw/zinc/90/23/09/351902309.db2.gz MLTHUEFFVPMHCR-UHFFFAOYSA-N 1 2 230.315 2.527 20 30 BFEDLO CC(C)SCC/[NH+]=C/c1cccc(O)c1O ZINC000286062762 352074501 /nfs/dbraw/zinc/07/45/01/352074501.db2.gz AOHNJSJEJLEWTL-MDWZMJQESA-N 1 2 239.340 2.658 20 30 BFEDLO CCCCOCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405171264 352065298 /nfs/dbraw/zinc/06/52/98/352065298.db2.gz VATWGWNLTDYTGF-UHFFFAOYSA-N 1 2 244.338 2.691 20 30 BFEDLO CCCCOCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405171264 352065300 /nfs/dbraw/zinc/06/53/00/352065300.db2.gz VATWGWNLTDYTGF-UHFFFAOYSA-N 1 2 244.338 2.691 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC1CC(F)(F)C1 ZINC000291851145 352291505 /nfs/dbraw/zinc/29/15/05/352291505.db2.gz HTOSYQTZBAQYTG-OVCLIPMQSA-N 1 2 225.238 2.856 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OC)c1 ZINC000292123853 352303197 /nfs/dbraw/zinc/30/31/97/352303197.db2.gz IFMYLHTYLPTJNE-UHFFFAOYSA-N 1 2 230.311 2.597 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1cccc(OC)c1 ZINC000292123853 352303200 /nfs/dbraw/zinc/30/32/00/352303200.db2.gz IFMYLHTYLPTJNE-UHFFFAOYSA-N 1 2 230.311 2.597 20 30 BFEDLO C[C@@H](CCC#N)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000411686454 191204388 /nfs/dbraw/zinc/20/43/88/191204388.db2.gz DCSFMVJVPVKGFX-NSHDSACASA-N 1 2 248.301 2.712 20 30 BFEDLO C[C@@H](CCC#N)[N@H+]1CCOc2cccc(F)c2C1 ZINC000411686454 191204390 /nfs/dbraw/zinc/20/43/90/191204390.db2.gz DCSFMVJVPVKGFX-NSHDSACASA-N 1 2 248.301 2.712 20 30 BFEDLO C=C1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000264476389 187912981 /nfs/dbraw/zinc/91/29/81/187912981.db2.gz PBMBBBIMQUWTDS-UHFFFAOYSA-N 1 2 219.332 2.616 20 30 BFEDLO N#CC1(C[N@@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000334289222 352928093 /nfs/dbraw/zinc/92/80/93/352928093.db2.gz JRWCDABROPQQJU-UHFFFAOYSA-N 1 2 248.370 2.715 20 30 BFEDLO N#CC1(C[N@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000334289222 352928096 /nfs/dbraw/zinc/92/80/96/352928096.db2.gz JRWCDABROPQQJU-UHFFFAOYSA-N 1 2 248.370 2.715 20 30 BFEDLO C[C@@H](F)CC[N@@H+]1CCCC(C)(C)[C@@H]1C#N 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ZINC000269923632 188261563 /nfs/dbraw/zinc/26/15/63/188261563.db2.gz VEOPCAWQPSSEGE-CQSZACIVSA-N 1 2 249.741 2.737 20 30 BFEDLO C=C1CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC000264504271 188259657 /nfs/dbraw/zinc/25/96/57/188259657.db2.gz WEEYBRCYHNZWPU-UHFFFAOYSA-N 1 2 244.338 2.586 20 30 BFEDLO C=CC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915034 353329814 /nfs/dbraw/zinc/32/98/14/353329814.db2.gz OBMJNYDZRQBPPD-UHFFFAOYSA-N 1 2 241.338 2.549 20 30 BFEDLO C=CC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075915034 353329817 /nfs/dbraw/zinc/32/98/17/353329817.db2.gz OBMJNYDZRQBPPD-UHFFFAOYSA-N 1 2 241.338 2.549 20 30 BFEDLO CCc1noc(C)c1C[N@H+](CC)C[C@H](C)C#N ZINC000163115451 353342496 /nfs/dbraw/zinc/34/24/96/353342496.db2.gz IUTYBHZFIVGABZ-SNVBAGLBSA-N 1 2 235.331 2.527 20 30 BFEDLO CCc1noc(C)c1C[N@@H+](CC)C[C@H](C)C#N ZINC000163115451 353342498 /nfs/dbraw/zinc/34/24/98/353342498.db2.gz IUTYBHZFIVGABZ-SNVBAGLBSA-N 1 2 235.331 2.527 20 30 BFEDLO CC#CC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287454698 353583185 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/nfs/dbraw/zinc/94/61/19/354946119.db2.gz OHYSLEKCSGZSTN-UHFFFAOYSA-N 1 2 215.296 2.781 20 30 BFEDLO CCC1(c2ccccc2)C[NH+](CCC#N)C1 ZINC000414135250 191440102 /nfs/dbraw/zinc/44/01/02/191440102.db2.gz DLXIQYQXHYAWLF-UHFFFAOYSA-N 1 2 214.312 2.564 20 30 BFEDLO Cc1nccc(C[N@@H+](CCC#N)CCC(C)C)n1 ZINC000351401045 355984551 /nfs/dbraw/zinc/98/45/51/355984551.db2.gz SVLAJSCLSSCPHU-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO Cc1nccc(C[N@H+](CCC#N)CCC(C)C)n1 ZINC000351401045 355984556 /nfs/dbraw/zinc/98/45/56/355984556.db2.gz SVLAJSCLSSCPHU-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO C=C(C)C[N@@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000351068192 355944586 /nfs/dbraw/zinc/94/45/86/355944586.db2.gz XGDMBSHVJPSDHW-UHFFFAOYSA-N 1 2 248.370 2.815 20 30 BFEDLO C=C(C)C[N@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000351068192 355944589 /nfs/dbraw/zinc/94/45/89/355944589.db2.gz XGDMBSHVJPSDHW-UHFFFAOYSA-N 1 2 248.370 2.815 20 30 BFEDLO Cc1ccc(NC(=O)C[C@H]2CCOC2)c(C)[nH+]1 ZINC000330140492 356174376 /nfs/dbraw/zinc/17/43/76/356174376.db2.gz PMZAQDGWDBBJHH-LLVKDONJSA-N 1 2 234.299 2.713 20 30 BFEDLO C=CCN(Cc1ccccc1)c1cc[nH+]c(C)n1 ZINC000351885902 356139288 /nfs/dbraw/zinc/13/92/88/356139288.db2.gz HTXUQIFRTRXRAR-UHFFFAOYSA-N 1 2 239.322 2.978 20 30 BFEDLO C=CC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000639486289 356302411 /nfs/dbraw/zinc/30/24/11/356302411.db2.gz ZSVVINKANXHKHC-UHFFFAOYSA-N 1 2 247.313 2.906 20 30 BFEDLO C=CC[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000101546150 356416277 /nfs/dbraw/zinc/41/62/77/356416277.db2.gz XWSVSBGTVWZPRQ-UHFFFAOYSA-N 1 2 235.331 2.703 20 30 BFEDLO Cc1cc([C@H]2CCC[N@@H+]2CC2(C#N)CCC2)on1 ZINC000336186992 134122091 /nfs/dbraw/zinc/12/20/91/134122091.db2.gz JKTOSZDASVVTTF-GFCCVEGCSA-N 1 2 245.326 2.814 20 30 BFEDLO Cc1cc([C@H]2CCC[N@H+]2CC2(C#N)CCC2)on1 ZINC000336186992 134122092 /nfs/dbraw/zinc/12/20/92/134122092.db2.gz JKTOSZDASVVTTF-GFCCVEGCSA-N 1 2 245.326 2.814 20 30 BFEDLO N#CCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420983138 192289775 /nfs/dbraw/zinc/28/97/75/192289775.db2.gz BQEFYXSMDPVVRK-NSHDSACASA-N 1 2 224.254 2.886 20 30 BFEDLO CC[N@@H+](Cc1ccc(C(C)=O)cc1)C[C@@H](C)C#N ZINC000450330196 202129909 /nfs/dbraw/zinc/12/99/09/202129909.db2.gz SORIBYAXVZPAJO-LBPRGKRZSA-N 1 2 244.338 2.871 20 30 BFEDLO CC[N@H+](Cc1ccc(C(C)=O)cc1)C[C@@H](C)C#N ZINC000450330196 202129913 /nfs/dbraw/zinc/12/99/13/202129913.db2.gz SORIBYAXVZPAJO-LBPRGKRZSA-N 1 2 244.338 2.871 20 30 BFEDLO C[N@H+](Cc1c[nH]nc1C(C)(C)C)CC(C)(C)C#N ZINC000354018860 134165827 /nfs/dbraw/zinc/16/58/27/134165827.db2.gz RYGHFQPWNHKEAS-UHFFFAOYSA-N 1 2 248.374 2.689 20 30 BFEDLO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)CC(C)(C)C#N ZINC000354018860 134165828 /nfs/dbraw/zinc/16/58/28/134165828.db2.gz RYGHFQPWNHKEAS-UHFFFAOYSA-N 1 2 248.374 2.689 20 30 BFEDLO Cc1cnc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000223731769 357035289 /nfs/dbraw/zinc/03/52/89/357035289.db2.gz BEINOAUKPGUFRD-LLVKDONJSA-N 1 2 241.294 2.706 20 30 BFEDLO CSc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000358055892 134186514 /nfs/dbraw/zinc/18/65/14/134186514.db2.gz AGBVZNRNDGRTLH-NSHDSACASA-N 1 2 234.368 3.000 20 30 BFEDLO CSc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000358055892 134186515 /nfs/dbraw/zinc/18/65/15/134186515.db2.gz AGBVZNRNDGRTLH-NSHDSACASA-N 1 2 234.368 3.000 20 30 BFEDLO C=CC[N@@H+](CCOC)Cc1c(F)cccc1F ZINC000191760057 357794771 /nfs/dbraw/zinc/79/47/71/357794771.db2.gz HQVXDSYWIFTZPP-UHFFFAOYSA-N 1 2 241.281 2.599 20 30 BFEDLO C=CC[N@H+](CCOC)Cc1c(F)cccc1F ZINC000191760057 357794775 /nfs/dbraw/zinc/79/47/75/357794775.db2.gz HQVXDSYWIFTZPP-UHFFFAOYSA-N 1 2 241.281 2.599 20 30 BFEDLO C#CCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000371187325 134227590 /nfs/dbraw/zinc/22/75/90/134227590.db2.gz BIBYCHVETRTXQM-UHFFFAOYSA-N 1 2 242.297 2.688 20 30 BFEDLO C#CCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000371187325 134227591 /nfs/dbraw/zinc/22/75/91/134227591.db2.gz BIBYCHVETRTXQM-UHFFFAOYSA-N 1 2 242.297 2.688 20 30 BFEDLO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccon1 ZINC000349237223 357941322 /nfs/dbraw/zinc/94/13/22/357941322.db2.gz DWEXABOOKJRJJV-VIFPVBQESA-N 1 2 245.257 2.536 20 30 BFEDLO COc1cccc(Cl)c1C[NH2+]C[C@@H](C)C#N ZINC000134111000 325343893 /nfs/dbraw/zinc/34/38/93/325343893.db2.gz LHGWDHNWEWPULO-VIFPVBQESA-N 1 2 238.718 2.598 20 30 BFEDLO CCC1CCC([N@H+](CC#N)C2CC2)CC1 ZINC000052103657 358142122 /nfs/dbraw/zinc/14/21/22/358142122.db2.gz DCHMHCKRYBUBNY-UHFFFAOYSA-N 1 2 206.333 2.943 20 30 BFEDLO CCC1CCC([N@@H+](CC#N)C2CC2)CC1 ZINC000052103657 358142126 /nfs/dbraw/zinc/14/21/26/358142126.db2.gz DCHMHCKRYBUBNY-UHFFFAOYSA-N 1 2 206.333 2.943 20 30 BFEDLO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)o1 ZINC000450725778 202247167 /nfs/dbraw/zinc/24/71/67/202247167.db2.gz SIPXADZUCBGNLL-LLVKDONJSA-N 1 2 218.300 2.933 20 30 BFEDLO C=C[C@@H]1OCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000450752417 202255698 /nfs/dbraw/zinc/25/56/98/202255698.db2.gz CUNUAOONCAIILM-KGLIPLIRSA-N 1 2 240.306 2.990 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000042530691 358351442 /nfs/dbraw/zinc/35/14/42/358351442.db2.gz MCZTVPUEKILYMI-UHFFFAOYSA-N 1 2 247.298 2.719 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000042530691 358351443 /nfs/dbraw/zinc/35/14/43/358351443.db2.gz MCZTVPUEKILYMI-UHFFFAOYSA-N 1 2 247.298 2.719 20 30 BFEDLO C=CCCc1nc(CCc2[nH+]cccc2C)no1 ZINC000351133899 366423023 /nfs/dbraw/zinc/42/30/23/366423023.db2.gz UUUHTQFTMISLGV-UHFFFAOYSA-N 1 2 243.310 2.677 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046511508 358578007 /nfs/dbraw/zinc/57/80/07/358578007.db2.gz DWZCORPPZWTWCZ-AWEZNQCLSA-N 1 2 235.302 2.775 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046511508 358578011 /nfs/dbraw/zinc/57/80/11/358578011.db2.gz DWZCORPPZWTWCZ-AWEZNQCLSA-N 1 2 235.302 2.775 20 30 BFEDLO CC[N@@H+](Cc1ccccc1OC)C[C@H](C)C#N ZINC000043457267 358537676 /nfs/dbraw/zinc/53/76/76/358537676.db2.gz RULUYKUFQDEQJL-GFCCVEGCSA-N 1 2 232.327 2.677 20 30 BFEDLO CC[N@H+](Cc1ccccc1OC)C[C@H](C)C#N ZINC000043457267 358537682 /nfs/dbraw/zinc/53/76/82/358537682.db2.gz RULUYKUFQDEQJL-GFCCVEGCSA-N 1 2 232.327 2.677 20 30 BFEDLO C[N@@H+](CCC#N)CCSc1ccc(F)cc1 ZINC000133260019 358750052 /nfs/dbraw/zinc/75/00/52/358750052.db2.gz XMMSKMXAWBHRPO-UHFFFAOYSA-N 1 2 238.331 2.763 20 30 BFEDLO C[N@H+](CCC#N)CCSc1ccc(F)cc1 ZINC000133260019 358750056 /nfs/dbraw/zinc/75/00/56/358750056.db2.gz XMMSKMXAWBHRPO-UHFFFAOYSA-N 1 2 238.331 2.763 20 30 BFEDLO C=CC[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000246722349 359159129 /nfs/dbraw/zinc/15/91/29/359159129.db2.gz LSIKAYSPRJMINA-FZMZJTMJSA-N 1 2 235.302 2.774 20 30 BFEDLO C=CC[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000246722349 359159133 /nfs/dbraw/zinc/15/91/33/359159133.db2.gz LSIKAYSPRJMINA-FZMZJTMJSA-N 1 2 235.302 2.774 20 30 BFEDLO CC[N@H+](CCC#N)Cc1nccc2ccccc21 ZINC000611253899 359274979 /nfs/dbraw/zinc/27/49/79/359274979.db2.gz LOJUOGZVZOTAIM-UHFFFAOYSA-N 1 2 239.322 2.970 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1nccc2ccccc21 ZINC000611253899 359274980 /nfs/dbraw/zinc/27/49/80/359274980.db2.gz LOJUOGZVZOTAIM-UHFFFAOYSA-N 1 2 239.322 2.970 20 30 BFEDLO C=C[C@@H]([NH2+]CCCCC1CCCC1)C(=O)OC ZINC000619702410 363654540 /nfs/dbraw/zinc/65/45/40/363654540.db2.gz MEDBHXOTJACUDC-CYBMUJFWSA-N 1 2 239.359 2.664 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccccc2F)C1 ZINC000612155520 359710471 /nfs/dbraw/zinc/71/04/71/359710471.db2.gz WEJASCMEUBKIAL-CQSZACIVSA-N 1 2 232.302 2.951 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2F)C1 ZINC000612155520 359710476 /nfs/dbraw/zinc/71/04/76/359710476.db2.gz WEJASCMEUBKIAL-CQSZACIVSA-N 1 2 232.302 2.951 20 30 BFEDLO Cc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000612406082 359833036 /nfs/dbraw/zinc/83/30/36/359833036.db2.gz HZWAIPPHERCAKY-ZDUSSCGKSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000612406082 359833042 /nfs/dbraw/zinc/83/30/42/359833042.db2.gz HZWAIPPHERCAKY-ZDUSSCGKSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1noc(C)c1C(C)(C)[NH2+]CC1(C#N)CCC1 ZINC000450994095 202328650 /nfs/dbraw/zinc/32/86/50/202328650.db2.gz XWELSBGIJJXEQQ-UHFFFAOYSA-N 1 2 247.342 2.810 20 30 BFEDLO N#CC[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000090010506 360054257 /nfs/dbraw/zinc/05/42/57/360054257.db2.gz RHQBEUIQBKMVGZ-HNNXBMFYSA-N 1 2 228.339 2.997 20 30 BFEDLO N#CC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000090010506 360054259 /nfs/dbraw/zinc/05/42/59/360054259.db2.gz RHQBEUIQBKMVGZ-HNNXBMFYSA-N 1 2 228.339 2.997 20 30 BFEDLO CC[N@@H+](Cc1cc(C#N)cs1)C[C@H](C)C#N ZINC000091984026 360141178 /nfs/dbraw/zinc/14/11/78/360141178.db2.gz GCVCEIZPYXXQDR-SNVBAGLBSA-N 1 2 233.340 2.601 20 30 BFEDLO CC[N@H+](Cc1cc(C#N)cs1)C[C@H](C)C#N ZINC000091984026 360141182 /nfs/dbraw/zinc/14/11/82/360141182.db2.gz GCVCEIZPYXXQDR-SNVBAGLBSA-N 1 2 233.340 2.601 20 30 BFEDLO CC[N@@H+](Cc1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000098134301 360390088 /nfs/dbraw/zinc/39/00/88/360390088.db2.gz PQRCYHAEKMQPPH-SNVBAGLBSA-N 1 2 238.281 2.946 20 30 BFEDLO CC[N@H+](Cc1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000098134301 360390094 /nfs/dbraw/zinc/39/00/94/360390094.db2.gz PQRCYHAEKMQPPH-SNVBAGLBSA-N 1 2 238.281 2.946 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000426582077 360526390 /nfs/dbraw/zinc/52/63/90/360526390.db2.gz XWNZZAYOUXONFP-ZDUSSCGKSA-N 1 2 248.374 2.574 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000426582077 360526393 /nfs/dbraw/zinc/52/63/93/360526393.db2.gz XWNZZAYOUXONFP-ZDUSSCGKSA-N 1 2 248.374 2.574 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCOc1ccccc1F ZINC000428841665 201046375 /nfs/dbraw/zinc/04/63/75/201046375.db2.gz QPZZDOMFUDMNQC-UHFFFAOYSA-N 1 2 248.301 2.606 20 30 BFEDLO C=CC[N@H+](CCC#N)CCOc1ccccc1F ZINC000428841665 201046377 /nfs/dbraw/zinc/04/63/77/201046377.db2.gz QPZZDOMFUDMNQC-UHFFFAOYSA-N 1 2 248.301 2.606 20 30 BFEDLO CCC[N@H+](CC(F)F)CC1(CC#N)CC1 ZINC000387335453 363782656 /nfs/dbraw/zinc/78/26/56/363782656.db2.gz UKJYRMKHTQCEFK-UHFFFAOYSA-N 1 2 216.275 2.657 20 30 BFEDLO CCC[N@@H+](CC(F)F)CC1(CC#N)CC1 ZINC000387335453 363782662 /nfs/dbraw/zinc/78/26/62/363782662.db2.gz UKJYRMKHTQCEFK-UHFFFAOYSA-N 1 2 216.275 2.657 20 30 BFEDLO C[C@@H](c1ccccn1)[N@H+](C)CC(C)(C)C#N ZINC000433311693 201179106 /nfs/dbraw/zinc/17/91/06/201179106.db2.gz IMQBPGUFCVWKJU-NSHDSACASA-N 1 2 217.316 2.624 20 30 BFEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(C)(C)C#N ZINC000433311693 201179107 /nfs/dbraw/zinc/17/91/07/201179107.db2.gz IMQBPGUFCVWKJU-NSHDSACASA-N 1 2 217.316 2.624 20 30 BFEDLO C[N@H+](Cc1nc2ccccc2o1)CC(C)(C)C#N ZINC000433301628 201178106 /nfs/dbraw/zinc/17/81/06/201178106.db2.gz GXMYQXMKWPJPOB-UHFFFAOYSA-N 1 2 243.310 2.809 20 30 BFEDLO C[N@@H+](Cc1nc2ccccc2o1)CC(C)(C)C#N ZINC000433301628 201178110 /nfs/dbraw/zinc/17/81/10/201178110.db2.gz GXMYQXMKWPJPOB-UHFFFAOYSA-N 1 2 243.310 2.809 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437596118 201359038 /nfs/dbraw/zinc/35/90/38/201359038.db2.gz VDBUEMYLDKAQBV-JTQLQIEISA-N 1 2 245.301 2.898 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437596118 201359041 /nfs/dbraw/zinc/35/90/41/201359041.db2.gz VDBUEMYLDKAQBV-JTQLQIEISA-N 1 2 245.301 2.898 20 30 BFEDLO CCC[N@H+](CCC(C)(C)C#N)CC(F)F ZINC000157869701 193031381 /nfs/dbraw/zinc/03/13/81/193031381.db2.gz AASJYDKJAVHIMH-UHFFFAOYSA-N 1 2 218.291 2.903 20 30 BFEDLO CCC[N@@H+](CCC(C)(C)C#N)CC(F)F ZINC000157869701 193031382 /nfs/dbraw/zinc/03/13/82/193031382.db2.gz AASJYDKJAVHIMH-UHFFFAOYSA-N 1 2 218.291 2.903 20 30 BFEDLO CC[C@H](c1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC000575076743 365190375 /nfs/dbraw/zinc/19/03/75/365190375.db2.gz FUKIKUNUQXCTAO-CYBMUJFWSA-N 1 2 214.312 2.983 20 30 BFEDLO CC1=CCC[C@@H](C)[C@H]1C[N@H+](CC#N)C1CC1 ZINC000443415523 193020707 /nfs/dbraw/zinc/02/07/07/193020707.db2.gz LCHZYUXAHFHJIE-OCCSQVGLSA-N 1 2 218.344 2.967 20 30 BFEDLO CC1=CCC[C@@H](C)[C@H]1C[N@@H+](CC#N)C1CC1 ZINC000443415523 193020708 /nfs/dbraw/zinc/02/07/08/193020708.db2.gz LCHZYUXAHFHJIE-OCCSQVGLSA-N 1 2 218.344 2.967 20 30 BFEDLO N#CCC[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000575740639 365348162 /nfs/dbraw/zinc/34/81/62/365348162.db2.gz FDAAOOWIDDJMOH-KGLIPLIRSA-N 1 2 248.301 2.549 20 30 BFEDLO COc1ccc2oc(C[NH2+]C[C@H](C)C#N)cc2c1 ZINC000183829849 367051863 /nfs/dbraw/zinc/05/18/63/367051863.db2.gz HXRFINXERIQRKH-SNVBAGLBSA-N 1 2 244.294 2.691 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc(C#N)ccc1F ZINC000045914442 368434210 /nfs/dbraw/zinc/43/42/10/368434210.db2.gz LCVYFMLVTJNREW-UHFFFAOYSA-N 1 2 230.286 2.871 20 30 BFEDLO N#Cc1cnccc1/C=C\c1c[nH+]c2ccccn12 ZINC000615856645 368545638 /nfs/dbraw/zinc/54/56/38/368545638.db2.gz YTQYELJIRUFOFA-PLNGDYQASA-N 1 2 246.273 2.771 20 30 BFEDLO C[C@@H](CCc1cccc(F)c1)[NH+]1CC(C)(C#N)C1 ZINC000459599885 203311074 /nfs/dbraw/zinc/31/10/74/203311074.db2.gz YNEXXNHQSZWYSI-LBPRGKRZSA-N 1 2 246.329 2.992 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1nc2c(s1)CCC2 ZINC000459636672 203326699 /nfs/dbraw/zinc/32/66/99/203326699.db2.gz WZYGWTKYUYLCKK-VIFPVBQESA-N 1 2 247.367 2.586 20 30 BFEDLO CSCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405049329 369443620 /nfs/dbraw/zinc/44/36/20/369443620.db2.gz IQYRONJFSPVTRC-UHFFFAOYSA-N 1 2 232.352 2.627 20 30 BFEDLO CSCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405049329 369443622 /nfs/dbraw/zinc/44/36/22/369443622.db2.gz IQYRONJFSPVTRC-UHFFFAOYSA-N 1 2 232.352 2.627 20 30 BFEDLO C=C[C@H]([NH2+][C@H]1CCC[C@@H]1CCCC)C(=O)OC ZINC000619721121 369551094 /nfs/dbraw/zinc/55/10/94/369551094.db2.gz UNQAOBHHBGDDQG-AVGNSLFASA-N 1 2 239.359 2.663 20 30 BFEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCCC)C(=O)OC ZINC000619721123 369551499 /nfs/dbraw/zinc/55/14/99/369551499.db2.gz UNQAOBHHBGDDQG-RWMBFGLXSA-N 1 2 239.359 2.663 20 30 BFEDLO Cc1cc(N2CCC(CCF)CC2)c(C#N)c[nH+]1 ZINC000601218560 369608193 /nfs/dbraw/zinc/60/81/93/369608193.db2.gz ZRQIIZUPGAFTEY-UHFFFAOYSA-N 1 2 247.317 2.838 20 30 BFEDLO N#Cc1c(F)cccc1C[NH+]1CC(CC2CC2)C1 ZINC000602715503 369845770 /nfs/dbraw/zinc/84/57/70/369845770.db2.gz NUGWCUPFWBGIIS-UHFFFAOYSA-N 1 2 244.313 2.929 20 30 BFEDLO Cc1cc(NCc2ccccc2)c(C#N)c[nH+]1 ZINC000307202077 369996493 /nfs/dbraw/zinc/99/64/93/369996493.db2.gz DJJXFYBOOIZDGX-UHFFFAOYSA-N 1 2 223.279 2.874 20 30 BFEDLO C=CCCC(C)(C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000620864586 370015135 /nfs/dbraw/zinc/01/51/35/370015135.db2.gz INSOBSGDCWKUMK-GFCCVEGCSA-N 1 2 249.358 2.695 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]cccc1OC ZINC000624409823 371501813 /nfs/dbraw/zinc/50/18/13/371501813.db2.gz SVRCJUSYIQTONO-TXEJJXNPSA-N 1 2 230.311 2.778 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1ccc(F)cc1F ZINC000164679298 372182651 /nfs/dbraw/zinc/18/26/51/372182651.db2.gz YDKSGNIRXLAAEX-UHFFFAOYSA-N 1 2 224.254 2.604 20 30 BFEDLO CC(C)(C)c1nc(NCCCCC#N)cc[nH+]1 ZINC000301501309 534919525 /nfs/dbraw/zinc/91/95/25/534919525.db2.gz DZEGHOOJQQTQJF-UHFFFAOYSA-N 1 2 232.331 2.880 20 30 BFEDLO CC[C@H]([NH2+]CC#N)C(C)(C)c1ccccc1 ZINC000180003145 134326051 /nfs/dbraw/zinc/32/60/51/134326051.db2.gz RJKABYIVOWAKGM-ZDUSSCGKSA-N 1 2 216.328 2.856 20 30 BFEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000181272037 134334657 /nfs/dbraw/zinc/33/46/57/134334657.db2.gz NYUHMUYLJFAOIJ-SNVBAGLBSA-N 1 2 223.320 2.762 20 30 BFEDLO CCC[N@H+](CC#N)C[C@H]1Cc2ccccc21 ZINC000090977001 384085158 /nfs/dbraw/zinc/08/51/58/384085158.db2.gz VUFONYSVHFUONT-CYBMUJFWSA-N 1 2 214.312 2.562 20 30 BFEDLO CCC[N@@H+](CC#N)C[C@H]1Cc2ccccc21 ZINC000090977001 384085168 /nfs/dbraw/zinc/08/51/68/384085168.db2.gz VUFONYSVHFUONT-CYBMUJFWSA-N 1 2 214.312 2.562 20 30 BFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000068612214 134399044 /nfs/dbraw/zinc/39/90/44/134399044.db2.gz AISZXHUFEIBTFN-UWVGGRQHSA-N 1 2 233.271 2.548 20 30 BFEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnccn1 ZINC000560577392 384230165 /nfs/dbraw/zinc/23/01/65/384230165.db2.gz UJGFSKNLENXMBA-UHFFFAOYSA-N 1 2 246.358 2.628 20 30 BFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnccn1 ZINC000560577392 384230169 /nfs/dbraw/zinc/23/01/69/384230169.db2.gz UJGFSKNLENXMBA-UHFFFAOYSA-N 1 2 246.358 2.628 20 30 BFEDLO Cc1cc(N2CCS[C@H](C)CC2)c(C#N)c[nH+]1 ZINC000335514662 384296642 /nfs/dbraw/zinc/29/66/42/384296642.db2.gz WMIUDHWLRXHXEB-LLVKDONJSA-N 1 2 247.367 2.594 20 30 BFEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000299713411 384341551 /nfs/dbraw/zinc/34/15/51/384341551.db2.gz QUNUCABYXNZCMA-JTQLQIEISA-N 1 2 210.708 2.827 20 30 BFEDLO C=C(Cl)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000299713411 384341558 /nfs/dbraw/zinc/34/15/58/384341558.db2.gz QUNUCABYXNZCMA-JTQLQIEISA-N 1 2 210.708 2.827 20 30 BFEDLO CC[N@H+](CCC#N)CCC(=O)c1ccc(C)cc1 ZINC000159978807 384534538 /nfs/dbraw/zinc/53/45/38/384534538.db2.gz QNBPDJOVQFFLOI-UHFFFAOYSA-N 1 2 244.338 2.803 20 30 BFEDLO CC[N@@H+](CCC#N)CCC(=O)c1ccc(C)cc1 ZINC000159978807 384534542 /nfs/dbraw/zinc/53/45/42/384534542.db2.gz QNBPDJOVQFFLOI-UHFFFAOYSA-N 1 2 244.338 2.803 20 30 BFEDLO COc1cccc(/C=[NH+]/[C@@H]2CC=CCC2)c1O ZINC000172402009 384583341 /nfs/dbraw/zinc/58/33/41/384583341.db2.gz RQVKVXUVYCJOLH-JXCQQFQQSA-N 1 2 231.295 2.928 20 30 BFEDLO CC[N@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000050148617 384598705 /nfs/dbraw/zinc/59/87/05/384598705.db2.gz QGVDXVJCFQPMCI-UHFFFAOYSA-N 1 2 248.301 2.634 20 30 BFEDLO CC[N@@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000050148617 384598708 /nfs/dbraw/zinc/59/87/08/384598708.db2.gz QGVDXVJCFQPMCI-UHFFFAOYSA-N 1 2 248.301 2.634 20 30 BFEDLO CC#CC[N@@H+](CC)Cc1c(F)cccc1F ZINC000160180869 384649409 /nfs/dbraw/zinc/64/94/09/384649409.db2.gz HBZWYSKUZSZGRD-UHFFFAOYSA-N 1 2 223.266 2.810 20 30 BFEDLO CC#CC[N@H+](CC)Cc1c(F)cccc1F ZINC000160180869 384649413 /nfs/dbraw/zinc/64/94/13/384649413.db2.gz HBZWYSKUZSZGRD-UHFFFAOYSA-N 1 2 223.266 2.810 20 30 BFEDLO CC#CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000155093213 384692020 /nfs/dbraw/zinc/69/20/20/384692020.db2.gz UWZMSPVBIMVIJD-HNNXBMFYSA-N 1 2 247.313 2.612 20 30 BFEDLO CC#CCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000155093213 384692025 /nfs/dbraw/zinc/69/20/25/384692025.db2.gz UWZMSPVBIMVIJD-HNNXBMFYSA-N 1 2 247.313 2.612 20 30 BFEDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC#N ZINC000052869781 384711926 /nfs/dbraw/zinc/71/19/26/384711926.db2.gz DYJOVOCJJSOUQP-JTQLQIEISA-N 1 2 206.264 2.732 20 30 BFEDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCC#N ZINC000052869781 384711931 /nfs/dbraw/zinc/71/19/31/384711931.db2.gz DYJOVOCJJSOUQP-JTQLQIEISA-N 1 2 206.264 2.732 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000491473805 384954027 /nfs/dbraw/zinc/95/40/27/384954027.db2.gz HTIVXAPENJWAKW-JTQLQIEISA-N 1 2 232.714 2.665 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000491473805 384954033 /nfs/dbraw/zinc/95/40/33/384954033.db2.gz HTIVXAPENJWAKW-JTQLQIEISA-N 1 2 232.714 2.665 20 30 BFEDLO N#CC1(C[NH2+]Cc2cc(F)ccc2F)CCC1 ZINC000258959620 384954238 /nfs/dbraw/zinc/95/42/38/384954238.db2.gz RPIXLVNRJAOZEM-UHFFFAOYSA-N 1 2 236.265 2.748 20 30 BFEDLO C=CC(C)(C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000297704322 384895291 /nfs/dbraw/zinc/89/52/91/384895291.db2.gz MMCBAKLFBVJPFG-UHFFFAOYSA-N 1 2 243.310 2.827 20 30 BFEDLO CC[N@@H+](C/C=C/c1ccccc1OC)CCC#N ZINC000127636779 384928362 /nfs/dbraw/zinc/92/83/62/384928362.db2.gz FOONAAJGPNNPBN-RMKNXTFCSA-N 1 2 244.338 2.944 20 30 BFEDLO CC[N@H+](C/C=C/c1ccccc1OC)CCC#N ZINC000127636779 384928368 /nfs/dbraw/zinc/92/83/68/384928368.db2.gz FOONAAJGPNNPBN-RMKNXTFCSA-N 1 2 244.338 2.944 20 30 BFEDLO CCCc1[nH+]c2ccccc2n1CCC#N ZINC000057798995 384967417 /nfs/dbraw/zinc/96/74/17/384967417.db2.gz BLDQLAHJWOKHMA-UHFFFAOYSA-N 1 2 213.284 2.902 20 30 BFEDLO Cc1ccc(F)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000129160788 385113183 /nfs/dbraw/zinc/11/31/83/385113183.db2.gz QJCFLVOYVYOKJU-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1ccc(F)cc1C[N@H+](C)C[C@H](C)C#N ZINC000129160788 385113187 /nfs/dbraw/zinc/11/31/87/385113187.db2.gz QJCFLVOYVYOKJU-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO C=C(C)C(C)(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000644682407 385097508 /nfs/dbraw/zinc/09/75/08/385097508.db2.gz CVYDCLSXXSRCQY-UHFFFAOYSA-N 1 2 232.327 2.661 20 30 BFEDLO Cc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000360982110 385491768 /nfs/dbraw/zinc/49/17/68/385491768.db2.gz GFIITCASCAVBKG-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000360982110 385491772 /nfs/dbraw/zinc/49/17/72/385491772.db2.gz GFIITCASCAVBKG-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1sccc1Cl ZINC000194481778 385522717 /nfs/dbraw/zinc/52/27/17/385522717.db2.gz SWJFTQKATGCBIP-SSDOTTSWSA-N 1 2 214.721 2.651 20 30 BFEDLO CC(C)Oc1ccccc1C[NH2+]C[C@H](C)C#N ZINC000054180913 385600504 /nfs/dbraw/zinc/60/05/04/385600504.db2.gz ILYWCIPKKOTUGI-GFCCVEGCSA-N 1 2 232.327 2.723 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)C/C=C\c1ccccc1 ZINC000208718814 385609891 /nfs/dbraw/zinc/60/98/91/385609891.db2.gz LQGUANBPJMPLDM-XURPKSDJSA-N 1 2 214.312 2.791 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C\c1ccccc1 ZINC000208718814 385609893 /nfs/dbraw/zinc/60/98/93/385609893.db2.gz LQGUANBPJMPLDM-XURPKSDJSA-N 1 2 214.312 2.791 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C/C=C/c1ccncc1)C1CC1 ZINC000494946035 533147738 /nfs/dbraw/zinc/14/77/38/533147738.db2.gz HGJPLTVVMAHNEA-IBUXWKBASA-N 1 2 241.338 2.719 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C/C=C/c1ccncc1)C1CC1 ZINC000494946035 533147746 /nfs/dbraw/zinc/14/77/46/533147746.db2.gz HGJPLTVVMAHNEA-IBUXWKBASA-N 1 2 241.338 2.719 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C/C=C\c1ccncc1)C1CC1 ZINC000494946038 533147764 /nfs/dbraw/zinc/14/77/64/533147764.db2.gz HGJPLTVVMAHNEA-ZRMMWKCHSA-N 1 2 241.338 2.719 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C/C=C\c1ccncc1)C1CC1 ZINC000494946038 533147768 /nfs/dbraw/zinc/14/77/68/533147768.db2.gz HGJPLTVVMAHNEA-ZRMMWKCHSA-N 1 2 241.338 2.719 20 30 BFEDLO C#C[C@H](CC)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000390785700 385900842 /nfs/dbraw/zinc/90/08/42/385900842.db2.gz OVWPKZAEFVYDKV-SSDOTTSWSA-N 1 2 248.273 2.663 20 30 BFEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000272646783 385920769 /nfs/dbraw/zinc/92/07/69/385920769.db2.gz YNSAIKOUKGVKPN-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccccc1OC1CC1 ZINC000295121906 385972087 /nfs/dbraw/zinc/97/20/87/385972087.db2.gz WWNNRAIGHRIWBG-UHFFFAOYSA-N 1 2 244.338 2.963 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccccc1OC1CC1 ZINC000295121906 385972091 /nfs/dbraw/zinc/97/20/91/385972091.db2.gz WWNNRAIGHRIWBG-UHFFFAOYSA-N 1 2 244.338 2.963 20 30 BFEDLO CC#CC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133641878 386353614 /nfs/dbraw/zinc/35/36/14/386353614.db2.gz ZQLAPDQHQDLNGE-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133641878 386353619 /nfs/dbraw/zinc/35/36/19/386353619.db2.gz ZQLAPDQHQDLNGE-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO CC#CC[N@H+](C)Cc1cccc(F)c1Cl ZINC000339756150 386592486 /nfs/dbraw/zinc/59/24/86/386592486.db2.gz LRWVVYRVWDHRGG-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cccc(F)c1Cl ZINC000339756150 386592493 /nfs/dbraw/zinc/59/24/93/386592493.db2.gz LRWVVYRVWDHRGG-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C#CC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000194425634 386594264 /nfs/dbraw/zinc/59/42/64/386594264.db2.gz VUPCOAHIIWEUAQ-VIFPVBQESA-N 1 2 209.239 2.591 20 30 BFEDLO C#CC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000194425634 386594271 /nfs/dbraw/zinc/59/42/71/386594271.db2.gz VUPCOAHIIWEUAQ-VIFPVBQESA-N 1 2 209.239 2.591 20 30 BFEDLO CC(C)n1c[nH+]cc1CN(CCC#N)CC1CC1 ZINC000425331225 386664432 /nfs/dbraw/zinc/66/44/32/386664432.db2.gz CAUBQLFUSZQMAT-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)n1c[nH+]cc1CN(C[C@@H](C)C#N)C1CC1 ZINC000425341033 386842822 /nfs/dbraw/zinc/84/28/22/386842822.db2.gz WTJJDLARCNWEIG-LBPRGKRZSA-N 1 2 246.358 2.588 20 30 BFEDLO N#C[C@@H]1[N@H+](CC2CCC2)CCC[C@]12CCCCO2 ZINC000335748469 386872868 /nfs/dbraw/zinc/87/28/68/386872868.db2.gz SXKPNLBCKUOJBS-LSDHHAIUSA-N 1 2 248.370 2.714 20 30 BFEDLO N#C[C@@H]1[N@@H+](CC2CCC2)CCC[C@]12CCCCO2 ZINC000335748469 386872874 /nfs/dbraw/zinc/87/28/74/386872874.db2.gz SXKPNLBCKUOJBS-LSDHHAIUSA-N 1 2 248.370 2.714 20 30 BFEDLO Cc1cc(NCCC2=CCCC2)c(C#N)c[nH+]1 ZINC000399517379 386923492 /nfs/dbraw/zinc/92/34/92/386923492.db2.gz PMKJFSRVPOBFHQ-UHFFFAOYSA-N 1 2 227.311 2.596 20 30 BFEDLO Cc1cc(N[C@H]2CCCC[C@H]2C)c(C#N)c[nH+]1 ZINC000399528317 386957605 /nfs/dbraw/zinc/95/76/05/386957605.db2.gz TXJZOUAQSUPEGD-MFKMUULPSA-N 1 2 229.327 2.674 20 30 BFEDLO CC#CCOc1cc[nH+]c2cc(OC)ccc21 ZINC000165978926 386993768 /nfs/dbraw/zinc/99/37/68/386993768.db2.gz LJGQOABZOJZMDU-UHFFFAOYSA-N 1 2 227.263 2.646 20 30 BFEDLO Cc1cc(N[C@@H]2C[C@H]2c2ccccc2)c(C#N)c[nH+]1 ZINC000399604559 387036918 /nfs/dbraw/zinc/03/69/18/387036918.db2.gz WGIABNYGVXEYFL-GOEBONIOSA-N 1 2 249.317 2.652 20 30 BFEDLO CC[N@H+](Cc1cc(O)cc(F)c1)C[C@H](C)C#N ZINC000186190992 387074256 /nfs/dbraw/zinc/07/42/56/387074256.db2.gz JLKICKOZCJMULC-SNVBAGLBSA-N 1 2 236.290 2.513 20 30 BFEDLO Cc1cc(N[C@@H](C2CC2)C2CCC2)c(C#N)c[nH+]1 ZINC000399467277 387123688 /nfs/dbraw/zinc/12/36/88/387123688.db2.gz UECMTSJJIMKOKL-OAHLLOKOSA-N 1 2 241.338 2.674 20 30 BFEDLO Cc1ccc(F)c(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418143038 387164387 /nfs/dbraw/zinc/16/43/87/387164387.db2.gz OHOYVCPQBFERGW-UHFFFAOYSA-N 1 2 232.302 2.918 20 30 BFEDLO CCCc1csc(C[NH2+]CC2(C#N)CCC2)n1 ZINC000418145087 387167306 /nfs/dbraw/zinc/16/73/06/387167306.db2.gz WRIYAXHCVZNVBK-UHFFFAOYSA-N 1 2 249.383 2.879 20 30 BFEDLO Cc1cc(NCC2(C(C)C)CC2)c(C#N)c[nH+]1 ZINC000399475918 387135415 /nfs/dbraw/zinc/13/54/15/387135415.db2.gz CHMQVOAZWFIGMG-UHFFFAOYSA-N 1 2 229.327 2.532 20 30 BFEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC#N ZINC000611554228 387346930 /nfs/dbraw/zinc/34/69/30/387346930.db2.gz IGLYOVULRGFRBM-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCC#N ZINC000611554228 387346935 /nfs/dbraw/zinc/34/69/35/387346935.db2.gz IGLYOVULRGFRBM-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO C#CCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000269923626 387423642 /nfs/dbraw/zinc/42/36/42/387423642.db2.gz VEOPCAWQPSSEGE-AWEZNQCLSA-N 1 2 249.741 2.737 20 30 BFEDLO C#CCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000269923626 387423648 /nfs/dbraw/zinc/42/36/48/387423648.db2.gz VEOPCAWQPSSEGE-AWEZNQCLSA-N 1 2 249.741 2.737 20 30 BFEDLO C=C1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000264482073 387391497 /nfs/dbraw/zinc/39/14/97/387391497.db2.gz QJQVTILHHPFXBB-UHFFFAOYSA-N 1 2 222.719 2.887 20 30 BFEDLO C=CCOCCCC(=O)Nc1cc[nH+]cc1CC ZINC000266269323 387402649 /nfs/dbraw/zinc/40/26/49/387402649.db2.gz AOTLXBFNSMZBIC-UHFFFAOYSA-N 1 2 248.326 2.565 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000274354642 387472751 /nfs/dbraw/zinc/47/27/51/387472751.db2.gz PZBLSRMIJFUKKQ-NSHDSACASA-N 1 2 243.310 2.875 20 30 BFEDLO Cc1c[nH+]ccc1NC(=O)c1cccc(C#N)c1 ZINC000104246479 387487918 /nfs/dbraw/zinc/48/79/18/387487918.db2.gz BGBFUBHKLMOCRC-UHFFFAOYSA-N 1 2 237.262 2.514 20 30 BFEDLO Cc1ccoc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000292222542 387492370 /nfs/dbraw/zinc/49/23/70/387492370.db2.gz AHQRICUEJFKQSC-UHFFFAOYSA-N 1 2 230.267 2.685 20 30 BFEDLO Cc1ccoc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000292222542 387492378 /nfs/dbraw/zinc/49/23/78/387492378.db2.gz AHQRICUEJFKQSC-UHFFFAOYSA-N 1 2 230.267 2.685 20 30 BFEDLO C#Cc1ccc(C[N@H+](C)Cc2cc(C)on2)cc1 ZINC000278972571 387559699 /nfs/dbraw/zinc/55/96/99/387559699.db2.gz OPPWTCPMTMMUJX-UHFFFAOYSA-N 1 2 240.306 2.596 20 30 BFEDLO C#Cc1ccc(C[N@@H+](C)Cc2cc(C)on2)cc1 ZINC000278972571 387559705 /nfs/dbraw/zinc/55/97/05/387559705.db2.gz OPPWTCPMTMMUJX-UHFFFAOYSA-N 1 2 240.306 2.596 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334267 387804284 /nfs/dbraw/zinc/80/42/84/387804284.db2.gz MJCWTQOVQUMAEK-LLVKDONJSA-N 1 2 247.342 2.760 20 30 BFEDLO C=CCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444733406 387917799 /nfs/dbraw/zinc/91/77/99/387917799.db2.gz QUOXGEJMOZCFKL-LBPRGKRZSA-N 1 2 206.333 2.967 20 30 BFEDLO C=CCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444733406 387917804 /nfs/dbraw/zinc/91/78/04/387917804.db2.gz QUOXGEJMOZCFKL-LBPRGKRZSA-N 1 2 206.333 2.967 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ncccc1Cl ZINC000528350072 387905774 /nfs/dbraw/zinc/90/57/74/387905774.db2.gz KPPHWRLRPXUWTH-UHFFFAOYSA-N 1 2 222.719 2.909 20 30 BFEDLO C[C@@H]1CC[C@@H](C[N@@H+]2CCCC(C)(C)[C@H]2C#N)O1 ZINC000444728160 387917650 /nfs/dbraw/zinc/91/76/50/387917650.db2.gz QOJFIXDHVFPIGN-FRRDWIJNSA-N 1 2 236.359 2.568 20 30 BFEDLO C[C@@H]1CC[C@@H](C[N@H+]2CCCC(C)(C)[C@H]2C#N)O1 ZINC000444728160 387917652 /nfs/dbraw/zinc/91/76/52/387917652.db2.gz QOJFIXDHVFPIGN-FRRDWIJNSA-N 1 2 236.359 2.568 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cccc(C)c1F ZINC000449009661 388129115 /nfs/dbraw/zinc/12/91/15/388129115.db2.gz OVNGRFDHQKVARE-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cccc(C)c1F ZINC000449009661 388129117 /nfs/dbraw/zinc/12/91/17/388129117.db2.gz OVNGRFDHQKVARE-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO COc1cc(F)cc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000449023606 388131834 /nfs/dbraw/zinc/13/18/34/388131834.db2.gz SILHBEKGVYYKIY-SNVBAGLBSA-N 1 2 236.290 2.568 20 30 BFEDLO COc1cc(F)cc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000449023606 388131836 /nfs/dbraw/zinc/13/18/36/388131836.db2.gz SILHBEKGVYYKIY-SNVBAGLBSA-N 1 2 236.290 2.568 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC)c1F ZINC000192974357 388134663 /nfs/dbraw/zinc/13/46/63/388134663.db2.gz CKWFLZXSAUFANB-NSHDSACASA-N 1 2 236.290 2.616 20 30 BFEDLO C=CCC(C)(C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000455039490 388146022 /nfs/dbraw/zinc/14/60/22/388146022.db2.gz LKSJTPLVXQLMFG-UHFFFAOYSA-N 1 2 247.342 2.536 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456372419 388197748 /nfs/dbraw/zinc/19/77/48/388197748.db2.gz YZFIMVHSAFMZKD-VXGBXAGGSA-N 1 2 249.358 2.683 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456371843 388197890 /nfs/dbraw/zinc/19/78/90/388197890.db2.gz YZFIMVHSAFMZKD-NEPJUHHUSA-N 1 2 249.358 2.683 20 30 BFEDLO CCCC[N@H+](CC#N)[C@@H]1CCCC[C@H]1OC ZINC000451655541 388287719 /nfs/dbraw/zinc/28/77/19/388287719.db2.gz YLBLLBKMHRUSNN-CHWSQXEVSA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@@H]1CCCC[C@H]1OC ZINC000451655541 388287721 /nfs/dbraw/zinc/28/77/21/388287721.db2.gz YLBLLBKMHRUSNN-CHWSQXEVSA-N 1 2 224.348 2.570 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(CCC)cs1 ZINC000491373007 388288973 /nfs/dbraw/zinc/28/89/73/388288973.db2.gz LOCGXKHDFLQLRL-SNVBAGLBSA-N 1 2 222.357 2.549 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(CCC)cs1 ZINC000491373007 388288974 /nfs/dbraw/zinc/28/89/74/388288974.db2.gz LOCGXKHDFLQLRL-SNVBAGLBSA-N 1 2 222.357 2.549 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000491404588 388292536 /nfs/dbraw/zinc/29/25/36/388292536.db2.gz CTYQJJKZYBEVBV-JTQLQIEISA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000491404588 388292538 /nfs/dbraw/zinc/29/25/38/388292538.db2.gz CTYQJJKZYBEVBV-JTQLQIEISA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000491452358 388295684 /nfs/dbraw/zinc/29/56/84/388295684.db2.gz LAAAIQGMMCNVLL-JTQLQIEISA-N 1 2 232.714 2.665 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000491452358 388295685 /nfs/dbraw/zinc/29/56/85/388295685.db2.gz LAAAIQGMMCNVLL-JTQLQIEISA-N 1 2 232.714 2.665 20 30 BFEDLO CSc1ccc(F)cc1C[NH2+]CCC#N ZINC000572632264 388361572 /nfs/dbraw/zinc/36/15/72/388361572.db2.gz WPEFUGUHWMKJEN-UHFFFAOYSA-N 1 2 224.304 2.551 20 30 BFEDLO C=C(CC)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000648840070 388449397 /nfs/dbraw/zinc/44/93/97/388449397.db2.gz OFNNPOJIBPAHJB-UHFFFAOYSA-N 1 2 215.300 2.619 20 30 BFEDLO CC#CC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000525119971 388416425 /nfs/dbraw/zinc/41/64/25/388416425.db2.gz GUQBWJXBVNSZFL-JTQLQIEISA-N 1 2 223.266 2.981 20 30 BFEDLO CC#CC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000525119971 388416426 /nfs/dbraw/zinc/41/64/26/388416426.db2.gz GUQBWJXBVNSZFL-JTQLQIEISA-N 1 2 223.266 2.981 20 30 BFEDLO CC[C@H]1C[N@H+](Cc2ccccc2C#N)[C@H](C)CO1 ZINC000403995239 388632736 /nfs/dbraw/zinc/63/27/36/388632736.db2.gz SVLRKRMIDSUMQG-DOMZBBRYSA-N 1 2 244.338 2.558 20 30 BFEDLO CC[C@H]1C[N@@H+](Cc2ccccc2C#N)[C@H](C)CO1 ZINC000403995239 388632739 /nfs/dbraw/zinc/63/27/39/388632739.db2.gz SVLRKRMIDSUMQG-DOMZBBRYSA-N 1 2 244.338 2.558 20 30 BFEDLO CCn1c[nH+]cc1CNc1cc(C)cc(C#N)c1 ZINC000308104005 388657032 /nfs/dbraw/zinc/65/70/32/388657032.db2.gz CDORJEHASCWVQO-UHFFFAOYSA-N 1 2 240.310 2.695 20 30 BFEDLO CC(C)n1cc[nH+]c1CNc1cccc(C#N)c1 ZINC000123649710 388733853 /nfs/dbraw/zinc/73/38/53/388733853.db2.gz GKLATJPVDRPRCI-UHFFFAOYSA-N 1 2 240.310 2.948 20 30 BFEDLO CC(C)c1nc(N2CCC(CC#N)CC2)cc[nH+]1 ZINC000541004508 388834864 /nfs/dbraw/zinc/83/48/64/388834864.db2.gz HLUUWWVGUQYHSY-UHFFFAOYSA-N 1 2 244.342 2.730 20 30 BFEDLO N#CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000335965410 134028083 /nfs/dbraw/zinc/02/80/83/134028083.db2.gz NSGRCFXLVZRCMI-GFCCVEGCSA-N 1 2 232.302 2.919 20 30 BFEDLO N#CC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000335965410 134028084 /nfs/dbraw/zinc/02/80/84/134028084.db2.gz NSGRCFXLVZRCMI-GFCCVEGCSA-N 1 2 232.302 2.919 20 30 BFEDLO Cc1ncc(C[N@H+](CCC#N)CC(C)(C)C)cn1 ZINC000352030523 134045055 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/nfs/dbraw/zinc/71/35/32/582713532.db2.gz OIOKPFCTDRGSDA-LLVKDONJSA-N 1 2 236.315 2.660 20 30 BFEDLO CCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)o1 ZINC000891716331 582713533 /nfs/dbraw/zinc/71/35/33/582713533.db2.gz OIOKPFCTDRGSDA-LLVKDONJSA-N 1 2 236.315 2.660 20 30 BFEDLO CC1(C#N)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000780782077 582843290 /nfs/dbraw/zinc/84/32/90/582843290.db2.gz KGGDEHVCMCMSGQ-UHFFFAOYSA-N 1 2 245.326 2.678 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC000852100586 583000753 /nfs/dbraw/zinc/00/07/53/583000753.db2.gz YJGGYGBTUZHNCP-MFKMUULPSA-N 1 2 235.331 2.646 20 30 BFEDLO CC1CC(C/[NH+]=C/c2ccccc2O)C1 ZINC000856719706 588875126 /nfs/dbraw/zinc/87/51/26/588875126.db2.gz WDFPQNHPPYKLRO-NTEUORMPSA-N 1 2 203.285 2.857 20 30 BFEDLO CC(C)c1c[nH]c(CN(CCC#N)C(C)C)[nH+]1 ZINC000893959637 583262235 /nfs/dbraw/zinc/26/22/35/583262235.db2.gz NCVNBIPXKOGAGN-UHFFFAOYSA-N 1 2 234.347 2.657 20 30 BFEDLO Cc1ncoc1C[N@@H+](CCC#N)CCC(C)C ZINC000894003221 583272035 /nfs/dbraw/zinc/27/20/35/583272035.db2.gz GTBQJBNBHRJTMX-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO Cc1ncoc1C[N@H+](CCC#N)CCC(C)C ZINC000894003221 583272037 /nfs/dbraw/zinc/27/20/37/583272037.db2.gz GTBQJBNBHRJTMX-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO C=C1CC[NH+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000894005336 583273546 /nfs/dbraw/zinc/27/35/46/583273546.db2.gz DURHSIYRPZTHLJ-UHFFFAOYSA-N 1 2 219.332 2.685 20 30 BFEDLO C#CCCCCCCNc1cc(CO)cc[nH+]1 ZINC000895038345 583570223 /nfs/dbraw/zinc/57/02/23/583570223.db2.gz MQHRLXYRYBULEX-UHFFFAOYSA-N 1 2 232.327 2.570 20 30 BFEDLO C[C@@H](CC(C)(C)C#N)Nc1c[nH+]cc(N(C)C)c1 ZINC000895698817 583710845 /nfs/dbraw/zinc/71/08/45/583710845.db2.gz FTYCNPFLONLKQE-NSHDSACASA-N 1 2 246.358 2.888 20 30 BFEDLO C#CC1([NH2+]Cc2nnc(C(C)C)s2)CCCC1 ZINC000896024926 583762297 /nfs/dbraw/zinc/76/22/97/583762297.db2.gz BPWMBVXEKBGUMB-UHFFFAOYSA-N 1 2 249.383 2.697 20 30 BFEDLO COc1cccc(/C=[NH+]/CC[C@@H](C)F)c1O ZINC000840705920 583840684 /nfs/dbraw/zinc/84/06/84/583840684.db2.gz IJQFKOSIMKZDRV-MBBDXHFBSA-N 1 2 225.263 2.568 20 30 BFEDLO CC[C@@](C)(C/[NH+]=C/c1ccccc1O)OC ZINC000840707386 583848419 /nfs/dbraw/zinc/84/84/19/583848419.db2.gz OQGVHZUBWZGLJZ-FYQHACEVSA-N 1 2 221.300 2.626 20 30 BFEDLO CC[C@](C)(C/[NH+]=C\c1ccccc1O)OC ZINC000840707380 583848479 /nfs/dbraw/zinc/84/84/79/583848479.db2.gz OQGVHZUBWZGLJZ-CKXDQPNJSA-N 1 2 221.300 2.626 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/CC[C@@H](C)F)c1 ZINC000840707774 583849800 /nfs/dbraw/zinc/84/98/00/583849800.db2.gz YJIPEKPHGWKJEZ-MBBDXHFBSA-N 1 2 225.263 2.568 20 30 BFEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2ccccc2O)[C@@H](C)O1 ZINC000840712911 583880969 /nfs/dbraw/zinc/88/09/69/583880969.db2.gz MTJGPXOJOZQIQL-YJKAYWMFSA-N 1 2 233.311 2.625 20 30 BFEDLO CC#CC[N@H+](C)Cc1cccc(Cl)c1O ZINC000897167640 583887015 /nfs/dbraw/zinc/88/70/15/583887015.db2.gz NXBKCXVOKBYRJJ-UHFFFAOYSA-N 1 2 223.703 2.501 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000897167640 583887017 /nfs/dbraw/zinc/88/70/17/583887017.db2.gz NXBKCXVOKBYRJJ-UHFFFAOYSA-N 1 2 223.703 2.501 20 30 BFEDLO CC#CC[N@@H+](C)Cc1nn(CC)c2ccccc12 ZINC000897167279 583887491 /nfs/dbraw/zinc/88/74/91/583887491.db2.gz JAONTIIMZHWAFX-UHFFFAOYSA-N 1 2 241.338 2.511 20 30 BFEDLO CC#CC[N@H+](C)Cc1nn(CC)c2ccccc12 ZINC000897167279 583887493 /nfs/dbraw/zinc/88/74/93/583887493.db2.gz JAONTIIMZHWAFX-UHFFFAOYSA-N 1 2 241.338 2.511 20 30 BFEDLO CCOc1ccc(/C=[NH+]\CCCCC#N)c(O)c1 ZINC000728785828 583909958 /nfs/dbraw/zinc/90/99/58/583909958.db2.gz RJDJZVWXFHDEFV-WJDWOHSUSA-N 1 2 246.310 2.904 20 30 BFEDLO Nc1ccc(/C=C/C(=O)C2CCCCC2)c[nH+]1 ZINC000899345941 584198211 /nfs/dbraw/zinc/19/82/11/584198211.db2.gz YRNHDCAIMMXTSG-SOFGYWHQSA-N 1 2 230.311 2.826 20 30 BFEDLO CC(C)c1c[nH]c(C=CC(=O)c2cncs2)[nH+]1 ZINC000901477663 584449075 /nfs/dbraw/zinc/44/90/75/584449075.db2.gz QJFBQHQAMLVEMA-ARJAWSKDSA-N 1 2 247.323 2.886 20 30 BFEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cncs1 ZINC000901478723 584449099 /nfs/dbraw/zinc/44/90/99/584449099.db2.gz ZEBHFBCDMVLVEW-ARJAWSKDSA-N 1 2 247.323 2.817 20 30 BFEDLO CCn1c[nH+]c(CNc2cccc(C#N)c2C)c1 ZINC000902572672 584636906 /nfs/dbraw/zinc/63/69/06/584636906.db2.gz WBAJLSHNGXAVNX-UHFFFAOYSA-N 1 2 240.310 2.695 20 30 BFEDLO Cn1c[nH+]c2cc(OCCC(C)(C)C#N)ccc21 ZINC000902781368 584670434 /nfs/dbraw/zinc/67/04/34/584670434.db2.gz QENRYQFJTIHZNY-UHFFFAOYSA-N 1 2 243.310 2.892 20 30 BFEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccncc1Cl ZINC000903101641 584727537 /nfs/dbraw/zinc/72/75/37/584727537.db2.gz KGLIHUIETAWBIV-VIFPVBQESA-N 1 2 237.734 2.935 20 30 BFEDLO N#CC1(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000903105523 584728143 /nfs/dbraw/zinc/72/81/43/584728143.db2.gz DFDUBSBRSAKXST-JTQLQIEISA-N 1 2 247.729 2.616 20 30 BFEDLO C=CCCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904259483 584859184 /nfs/dbraw/zinc/85/91/84/584859184.db2.gz FFVSFDGJXNJORV-UHFFFAOYSA-N 1 2 244.298 2.531 20 30 BFEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1c[nH]c2ccccc21 ZINC000731156464 584922831 /nfs/dbraw/zinc/92/28/31/584922831.db2.gz FUXTUVTVEWFUOX-AATRIKPKSA-N 1 2 237.262 2.787 20 30 BFEDLO Cc1cc(F)ccc1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000731319832 584925052 /nfs/dbraw/zinc/92/50/52/584925052.db2.gz RGGCBMPRYWYBII-PLNGDYQASA-N 1 2 230.242 2.753 20 30 BFEDLO C#CC[N@@H+](Cc1cscc1Cl)C1CC1 ZINC000764682936 584928098 /nfs/dbraw/zinc/92/80/98/584928098.db2.gz MKJLKSSSCJLRQA-UHFFFAOYSA-N 1 2 225.744 2.999 20 30 BFEDLO C#CC[N@H+](Cc1cscc1Cl)C1CC1 ZINC000764682936 584928099 /nfs/dbraw/zinc/92/80/99/584928099.db2.gz MKJLKSSSCJLRQA-UHFFFAOYSA-N 1 2 225.744 2.999 20 30 BFEDLO C=CC[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000838938965 585081977 /nfs/dbraw/zinc/08/19/77/585081977.db2.gz WCHACBXRJJDDTN-UHFFFAOYSA-N 1 2 210.708 2.661 20 30 BFEDLO C=CC[N@H+](C)Cc1ccc(C)nc1Cl ZINC000838938965 585081978 /nfs/dbraw/zinc/08/19/78/585081978.db2.gz WCHACBXRJJDDTN-UHFFFAOYSA-N 1 2 210.708 2.661 20 30 BFEDLO C=CC[N@@H+](CCF)Cc1ccccc1F ZINC000746504528 585169225 /nfs/dbraw/zinc/16/92/25/585169225.db2.gz WDCRYMDMLGGCAY-UHFFFAOYSA-N 1 2 211.255 2.783 20 30 BFEDLO C=CC[N@H+](CCF)Cc1ccccc1F ZINC000746504528 585169226 /nfs/dbraw/zinc/16/92/26/585169226.db2.gz WDCRYMDMLGGCAY-UHFFFAOYSA-N 1 2 211.255 2.783 20 30 BFEDLO CO[C@@H]1C[C@@H](/[NH+]=C/c2ccccc2O)C1(C)C ZINC000753140169 585254337 /nfs/dbraw/zinc/25/43/37/585254337.db2.gz YRJDGRYUNXVEEU-SICXBXQRSA-N 1 2 233.311 2.625 20 30 BFEDLO CO[C@@H]1C[C@H](/[NH+]=C/c2ccccc2O)C1(C)C ZINC000753140166 585254368 /nfs/dbraw/zinc/25/43/68/585254368.db2.gz YRJDGRYUNXVEEU-DZFVGJMKSA-N 1 2 233.311 2.625 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000753588047 585262910 /nfs/dbraw/zinc/26/29/10/585262910.db2.gz RTCFPZPSZXDNOW-CQSZACIVSA-N 1 2 248.301 2.657 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000753588047 585262911 /nfs/dbraw/zinc/26/29/11/585262911.db2.gz RTCFPZPSZXDNOW-CQSZACIVSA-N 1 2 248.301 2.657 20 30 BFEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1[nH]cc[nH+]1)CC2 ZINC000753900636 585271712 /nfs/dbraw/zinc/27/17/12/585271712.db2.gz PRAXZZCLDUTFAU-FMIVXFBMSA-N 1 2 238.290 2.931 20 30 BFEDLO C[C@H](C#N)C[N@H+](C[C@H]1CC1(Cl)Cl)C1CC1 ZINC000754369988 585283032 /nfs/dbraw/zinc/28/30/32/585283032.db2.gz ABHBQLSBJHFGDY-RKDXNWHRSA-N 1 2 247.169 2.804 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C[C@H]1CC1(Cl)Cl)C1CC1 ZINC000754369988 585283033 /nfs/dbraw/zinc/28/30/33/585283033.db2.gz ABHBQLSBJHFGDY-RKDXNWHRSA-N 1 2 247.169 2.804 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C[C@H]1CC1(Cl)Cl)C1CC1 ZINC000754369986 585283236 /nfs/dbraw/zinc/28/32/36/585283236.db2.gz ABHBQLSBJHFGDY-DTWKUNHWSA-N 1 2 247.169 2.804 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C[C@H]1CC1(Cl)Cl)C1CC1 ZINC000754369986 585283237 /nfs/dbraw/zinc/28/32/37/585283237.db2.gz ABHBQLSBJHFGDY-DTWKUNHWSA-N 1 2 247.169 2.804 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NNc1ccccc1Cl ZINC000755473616 585300377 /nfs/dbraw/zinc/30/03/77/585300377.db2.gz WVVIZVUIYWFZPA-UHFFFAOYSA-N 1 2 234.690 2.818 20 30 BFEDLO Cc1cccn2c(C=NNC3CCCC3)c[nH+]c12 ZINC000755688810 585304114 /nfs/dbraw/zinc/30/41/14/585304114.db2.gz FAOZGEMCXDLDFI-UHFFFAOYSA-N 1 2 242.326 2.509 20 30 BFEDLO C[C@H](C[C@H]1CCOC1)/[NH+]=C/c1ccccc1O ZINC000759643556 585377875 /nfs/dbraw/zinc/37/78/75/585377875.db2.gz MWGHZWUPLCSVGJ-ZOPJJOQRSA-N 1 2 233.311 2.626 20 30 BFEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)c(C)o1 ZINC000767289480 585516461 /nfs/dbraw/zinc/51/64/61/585516461.db2.gz AXKCPSIZVNILPU-UHFFFAOYSA-N 1 2 241.294 2.970 20 30 BFEDLO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)cnc1Cl ZINC000769335251 585554261 /nfs/dbraw/zinc/55/42/61/585554261.db2.gz URQOOUNMKWBCHH-SNVBAGLBSA-N 1 2 237.734 2.777 20 30 BFEDLO Cc1cc(C[N@H+](C)[C@H](C)CC#N)cnc1Cl ZINC000769335251 585554262 /nfs/dbraw/zinc/55/42/62/585554262.db2.gz URQOOUNMKWBCHH-SNVBAGLBSA-N 1 2 237.734 2.777 20 30 BFEDLO C#CC[NH+](CC#C)Cc1cccn1CCC(C)C ZINC000769443206 585556284 /nfs/dbraw/zinc/55/62/84/585556284.db2.gz SLKBKMKFCONGDT-UHFFFAOYSA-N 1 2 242.366 2.603 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1c(F)cccc1Cl ZINC000769960996 585567551 /nfs/dbraw/zinc/56/75/51/585567551.db2.gz KGCIFJFEHWMJSW-SECBINFHSA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000769960996 585567552 /nfs/dbraw/zinc/56/75/52/585567552.db2.gz KGCIFJFEHWMJSW-SECBINFHSA-N 1 2 225.694 2.933 20 30 BFEDLO CCC1(O)CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000771519494 585595424 /nfs/dbraw/zinc/59/54/24/585595424.db2.gz GKMXOLXMEIOGSH-LFIBNONCSA-N 1 2 247.338 2.895 20 30 BFEDLO Cc1ccc(CCCN=Nc2ccccn2)c[nH+]1 ZINC000774337744 585656627 /nfs/dbraw/zinc/65/66/27/585656627.db2.gz WTMWDBXVWYDZIJ-UHFFFAOYSA-N 1 2 240.310 2.816 20 30 BFEDLO Cc1ccc(CCC=NO[C@@H]2CCCCO2)c[nH+]1 ZINC000774393228 585657347 /nfs/dbraw/zinc/65/73/47/585657347.db2.gz IYFJUCPKGFKOQP-CQSZACIVSA-N 1 2 248.326 2.852 20 30 BFEDLO C[C@H](/[NH+]=C\c1ccccc1O)[C@@H]1CCCOC1 ZINC000779708084 585759293 /nfs/dbraw/zinc/75/92/93/585759293.db2.gz RQSRBTCTNVNACI-KQXKAXQNSA-N 1 2 233.311 2.626 20 30 BFEDLO C[C@H](/[NH+]=C\c1ccccc1O)[C@H]1CCCOC1 ZINC000779708085 585759346 /nfs/dbraw/zinc/75/93/46/585759346.db2.gz RQSRBTCTNVNACI-ULGHFJRLSA-N 1 2 233.311 2.626 20 30 BFEDLO CC[N@H+](CC#N)C[C@@H]1CCc2ccccc21 ZINC000780291231 585777279 /nfs/dbraw/zinc/77/72/79/585777279.db2.gz GLPNDPGQWABAOM-ZDUSSCGKSA-N 1 2 214.312 2.562 20 30 BFEDLO CC[N@@H+](CC#N)C[C@@H]1CCc2ccccc21 ZINC000780291231 585777280 /nfs/dbraw/zinc/77/72/80/585777280.db2.gz GLPNDPGQWABAOM-ZDUSSCGKSA-N 1 2 214.312 2.562 20 30 BFEDLO CC[N@H+](CC#N)C[C@H]1CCc2ccccc21 ZINC000780291230 585777347 /nfs/dbraw/zinc/77/73/47/585777347.db2.gz GLPNDPGQWABAOM-CYBMUJFWSA-N 1 2 214.312 2.562 20 30 BFEDLO CC[N@@H+](CC#N)C[C@H]1CCc2ccccc21 ZINC000780291230 585777348 /nfs/dbraw/zinc/77/73/48/585777348.db2.gz GLPNDPGQWABAOM-CYBMUJFWSA-N 1 2 214.312 2.562 20 30 BFEDLO COc1ccc2c(NC[C@@H](C)C#N)cc[nH+]c2c1 ZINC000781664238 585801465 /nfs/dbraw/zinc/80/14/65/585801465.db2.gz PEYUALBCTFDCBL-JTQLQIEISA-N 1 2 241.294 2.815 20 30 BFEDLO NC(=[NH+]OCCCCCF)c1ccc(F)cc1 ZINC000789588406 585944759 /nfs/dbraw/zinc/94/47/59/585944759.db2.gz MBOXGUQCSNWXKH-UHFFFAOYSA-N 1 2 242.269 2.602 20 30 BFEDLO CC[C@@H](C)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000790183825 585960024 /nfs/dbraw/zinc/96/00/24/585960024.db2.gz OQDVGPCUXGGJBB-SNVBAGLBSA-N 1 2 248.355 2.656 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1coc2ccccc12 ZINC000790300520 585962828 /nfs/dbraw/zinc/96/28/28/585962828.db2.gz ZNLQHEMJSBPKOM-UHFFFAOYSA-N 1 2 240.266 2.612 20 30 BFEDLO CCC(=NNc1[nH+]ccn1C)c1ccccc1F ZINC000790302273 585962915 /nfs/dbraw/zinc/96/29/15/585962915.db2.gz LTZJTOHFTMHVRX-UHFFFAOYSA-N 1 2 246.289 2.785 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1ccccc1C1CC1 ZINC000790301081 585963008 /nfs/dbraw/zinc/96/30/08/585963008.db2.gz BFYBXBDWRPWQGP-UHFFFAOYSA-N 1 2 240.310 2.744 20 30 BFEDLO Cn1cc[nH+]c1[N-][NH+]=Cc1ccccc1C1CC1 ZINC000790301081 585963009 /nfs/dbraw/zinc/96/30/09/585963009.db2.gz BFYBXBDWRPWQGP-UHFFFAOYSA-N 1 2 240.310 2.744 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1cc(O)ccc1Cl ZINC000859280728 589026883 /nfs/dbraw/zinc/02/68/83/589026883.db2.gz NVTGKKUGNKJYBT-UHFFFAOYSA-N 1 2 237.730 2.889 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC000859280728 589026885 /nfs/dbraw/zinc/02/68/85/589026885.db2.gz NVTGKKUGNKJYBT-UHFFFAOYSA-N 1 2 237.730 2.889 20 30 BFEDLO CC[C@@H](C)CO[NH+]=Cc1cnc(N(C)C)s1 ZINC000793164530 586012680 /nfs/dbraw/zinc/01/26/80/586012680.db2.gz WBMLLCSVJPQTAX-SECBINFHSA-N 1 2 241.360 2.606 20 30 BFEDLO CCCCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000796510584 586105575 /nfs/dbraw/zinc/10/55/75/586105575.db2.gz JVZVSFNDDZKCDP-RYUDHWBXSA-N 1 2 245.338 2.542 20 30 BFEDLO CCCCCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000796510584 586105576 /nfs/dbraw/zinc/10/55/76/586105576.db2.gz JVZVSFNDDZKCDP-RYUDHWBXSA-N 1 2 245.338 2.542 20 30 BFEDLO Cc1ccc(C(=O)/C=C/c2cn(C)c[nH+]2)cc1C ZINC000798231470 586141372 /nfs/dbraw/zinc/14/13/72/586141372.db2.gz HUBADWAUKVJSEO-VOTSOKGWSA-N 1 2 240.306 2.933 20 30 BFEDLO N#C[C@@H]1CC[C@H]([NH2+]c2ccc3c(c2)CCO3)C1 ZINC000799722271 586194647 /nfs/dbraw/zinc/19/46/47/586194647.db2.gz DDYKNOFOGNXGQW-PWSUYJOCSA-N 1 2 228.295 2.726 20 30 BFEDLO Cc1ccc(C(=O)/C=C\c2cn(C)c[nH+]2)c(C)c1 ZINC000800792162 586228205 /nfs/dbraw/zinc/22/82/05/586228205.db2.gz NAPKYNZIOGBHHZ-ALCCZGGFSA-N 1 2 240.306 2.933 20 30 BFEDLO Cc1cc(C)cc(C(=O)/C=C/c2cn(C)c[nH+]2)c1 ZINC000800794094 586228784 /nfs/dbraw/zinc/22/87/84/586228784.db2.gz VXDSSJMMPPKPNY-SNAWJCMRSA-N 1 2 240.306 2.933 20 30 BFEDLO Cc1ccc(C(=O)/C=C/c2cn(C)c[nH+]2)s1 ZINC000800793810 586229341 /nfs/dbraw/zinc/22/93/41/586229341.db2.gz WDHFJXSURLPRQR-SNAWJCMRSA-N 1 2 232.308 2.686 20 30 BFEDLO CC(=NN[C@H]1CCCC1(C)C)c1cn(C)c(C)[nH+]1 ZINC000800817539 586232690 /nfs/dbraw/zinc/23/26/90/586232690.db2.gz ONKPTDGXFVWPKQ-ZDUSSCGKSA-N 1 2 248.374 2.621 20 30 BFEDLO C=CC[C@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000859444227 589037040 /nfs/dbraw/zinc/03/70/40/589037040.db2.gz HINTWXQCDZNINU-QMMMGPOBSA-N 1 2 225.229 2.785 20 30 BFEDLO C=CC[C@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000859444227 589037042 /nfs/dbraw/zinc/03/70/42/589037042.db2.gz HINTWXQCDZNINU-QMMMGPOBSA-N 1 2 225.229 2.785 20 30 BFEDLO CC[C@@](C)(C#N)C(=O)OCc1ccc(C)[nH+]c1C ZINC000803786092 586375426 /nfs/dbraw/zinc/37/54/26/586375426.db2.gz XSPBHIAFGHVEES-AWEZNQCLSA-N 1 2 246.310 2.682 20 30 BFEDLO CC(C)=CCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000808247127 586468955 /nfs/dbraw/zinc/46/89/55/586468955.db2.gz SWQGMJOTMMPOPH-UHFFFAOYSA-N 1 2 238.718 2.943 20 30 BFEDLO C[C@H]1c2ccccc2C(=O)/C1=C/c1[nH]cc[nH+]1 ZINC000809157247 586500116 /nfs/dbraw/zinc/50/01/16/586500116.db2.gz RWRLLVGDZJPOAA-KWINOFQJSA-N 1 2 224.263 2.793 20 30 BFEDLO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)c(C)o1 ZINC000810144642 586535687 /nfs/dbraw/zinc/53/56/87/586535687.db2.gz DDWQDEAGYWMVPI-UHFFFAOYSA-N 1 2 247.323 2.514 20 30 BFEDLO CCOc1cccc(/C=[NH+]/CCCCF)c1O ZINC000812444460 586577282 /nfs/dbraw/zinc/57/72/82/586577282.db2.gz HIELHWQIWSINIA-XNTDXEJSSA-N 1 2 239.290 2.960 20 30 BFEDLO CCOc1ccc(/C=[NH+]\CCCCF)c(O)c1 ZINC000812444744 586577336 /nfs/dbraw/zinc/57/73/36/586577336.db2.gz MQUWNDHHTKIZMG-GDNBJRDFSA-N 1 2 239.290 2.960 20 30 BFEDLO CCOc1ccc(O)c(/C=[NH+]/CCCCF)c1 ZINC000812444342 586577368 /nfs/dbraw/zinc/57/73/68/586577368.db2.gz DCWRGJFOHDGSBJ-XNTDXEJSSA-N 1 2 239.290 2.960 20 30 BFEDLO C(=NOCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814244703 586620035 /nfs/dbraw/zinc/62/00/35/586620035.db2.gz GRZFJERZYZFXAA-UHFFFAOYSA-N 1 2 241.294 2.633 20 30 BFEDLO Cc1nc(F)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000816632179 586746078 /nfs/dbraw/zinc/74/60/78/586746078.db2.gz XLZTVVKDPABZFO-UHFFFAOYSA-N 1 2 235.306 2.511 20 30 BFEDLO Cc1nc(F)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000816632179 586746080 /nfs/dbraw/zinc/74/60/80/586746080.db2.gz XLZTVVKDPABZFO-UHFFFAOYSA-N 1 2 235.306 2.511 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NNCC1CCCC1 ZINC000819812636 586997119 /nfs/dbraw/zinc/99/71/19/586997119.db2.gz FRHUNEAPPOKIDY-UHFFFAOYSA-N 1 2 234.347 2.578 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccnc(Cl)c1F ZINC000824171996 587259206 /nfs/dbraw/zinc/25/92/06/587259206.db2.gz JRANYGKEJPUVDN-SECBINFHSA-N 1 2 241.697 2.656 20 30 BFEDLO C#CC[NH+](CC#C)Cc1cc2c(cccc2C)[nH]1 ZINC000824824567 587289302 /nfs/dbraw/zinc/28/93/02/587289302.db2.gz KFQWRDCQFHDLRF-UHFFFAOYSA-N 1 2 236.318 2.545 20 30 BFEDLO C#CC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000826578455 587355513 /nfs/dbraw/zinc/35/55/13/587355513.db2.gz DEBOXRBTWUUEGI-AWEZNQCLSA-N 1 2 243.354 2.642 20 30 BFEDLO C=CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826915884 587365398 /nfs/dbraw/zinc/36/53/98/587365398.db2.gz YJPLYLWEPUBMJA-UHFFFAOYSA-N 1 2 229.682 2.850 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@@]1(C)CC1(Cl)Cl ZINC000829993188 587531568 /nfs/dbraw/zinc/53/15/68/587531568.db2.gz DGBPRACBTCVDHO-SNVBAGLBSA-N 1 2 247.169 2.972 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@@]1(C)CC1(Cl)Cl ZINC000829993188 587531569 /nfs/dbraw/zinc/53/15/69/587531569.db2.gz DGBPRACBTCVDHO-SNVBAGLBSA-N 1 2 247.169 2.972 20 30 BFEDLO C#CC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000830345910 587547157 /nfs/dbraw/zinc/54/71/57/587547157.db2.gz YPANCWYBUGJCBN-UHFFFAOYSA-N 1 2 240.759 2.642 20 30 BFEDLO CCn1c[nH+]cc1C=NNc1cc(C)ccc1C ZINC000841612853 587959564 /nfs/dbraw/zinc/95/95/64/587959564.db2.gz QXOUVMPEWCHOQV-UHFFFAOYSA-N 1 2 242.326 2.966 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000842852861 588070654 /nfs/dbraw/zinc/07/06/54/588070654.db2.gz YNJCPOVZOMXCDF-JTQLQIEISA-N 1 2 239.750 2.623 20 30 BFEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000844388228 588189032 /nfs/dbraw/zinc/18/90/32/588189032.db2.gz QFJFJQVVZYTXND-WDEREUQCSA-N 1 2 217.740 2.628 20 30 BFEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000844388228 588189034 /nfs/dbraw/zinc/18/90/34/588189034.db2.gz QFJFJQVVZYTXND-WDEREUQCSA-N 1 2 217.740 2.628 20 30 BFEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000844388225 588189201 /nfs/dbraw/zinc/18/92/01/588189201.db2.gz QFJFJQVVZYTXND-GHMZBOCLSA-N 1 2 217.740 2.628 20 30 BFEDLO C=C(C)CO[NH+]=C(C)c1cc(N)ccc1F ZINC000844619153 588209277 /nfs/dbraw/zinc/20/92/77/588209277.db2.gz CKQVSBOJXFBANN-UHFFFAOYSA-N 1 2 222.263 2.725 20 30 BFEDLO C=C(C)CONC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000844667078 588212901 /nfs/dbraw/zinc/21/29/01/588212901.db2.gz JKXNPDJHPUURDU-UHFFFAOYSA-N 1 2 249.314 2.636 20 30 BFEDLO C=CCCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845287602 588225721 /nfs/dbraw/zinc/22/57/21/588225721.db2.gz YDGQMKQMZMSODB-GFCCVEGCSA-N 1 2 236.315 2.734 20 30 BFEDLO C=CCCCCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000846757179 588286276 /nfs/dbraw/zinc/28/62/76/588286276.db2.gz UZSUKNRJJUGSSZ-XNTDXEJSSA-N 1 2 249.310 2.969 20 30 BFEDLO C#CCCC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000847869450 588340128 /nfs/dbraw/zinc/34/01/28/588340128.db2.gz ZBUFTYJFHHELLI-STQMWFEESA-N 1 2 248.326 2.569 20 30 BFEDLO C[C@@H]1CC[C@H](C)CC1=NNCCCn1cc[nH+]c1 ZINC000848416160 588380851 /nfs/dbraw/zinc/38/08/51/588380851.db2.gz ATRMVYXQIOFNSY-QWHCGFSZSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@H]1CC[C@H](C)C(=NNCCCn2cc[nH+]c2)C1 ZINC000848416161 588381329 /nfs/dbraw/zinc/38/13/29/588381329.db2.gz ATRMVYXQIOFNSY-STQMWFEESA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@@H]1CCC[C@H](C=NNCCCn2cc[nH+]c2)C1 ZINC000848417624 588381993 /nfs/dbraw/zinc/38/19/93/588381993.db2.gz CGXARLPAXSLJJN-KGLIPLIRSA-N 1 2 248.374 2.675 20 30 BFEDLO C=C(CC)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781782 588413837 /nfs/dbraw/zinc/41/38/37/588413837.db2.gz OGDMYYKPWPIUQH-UHFFFAOYSA-N 1 2 244.294 2.766 20 30 BFEDLO C=CCC/[NH+]=C/c1ccc(OCC)cc1O ZINC000849170931 588459713 /nfs/dbraw/zinc/45/97/13/588459713.db2.gz XBWZOCWULDZWFI-GXDHUFHOSA-N 1 2 219.284 2.786 20 30 BFEDLO CC[C@H](C)CC/[NH+]=C\c1ccc(O)c(O)c1O ZINC000849170791 588459765 /nfs/dbraw/zinc/45/97/65/588459765.db2.gz ULPJIZZTOLLJIX-JNNKLVPLSA-N 1 2 237.299 2.659 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ncc[nH]1 ZINC000850552447 588559614 /nfs/dbraw/zinc/55/96/14/588559614.db2.gz ZKBPDZDDVDXKDM-NSHDSACASA-N 1 2 232.331 2.534 20 30 BFEDLO C[C@H](NCC1(C#N)CCCCC1)c1[nH]cc[nH+]1 ZINC000850552447 588559615 /nfs/dbraw/zinc/55/96/15/588559615.db2.gz ZKBPDZDDVDXKDM-NSHDSACASA-N 1 2 232.331 2.534 20 30 BFEDLO C=C1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000851765434 588625053 /nfs/dbraw/zinc/62/50/53/588625053.db2.gz TXXUKOWDOOVLPF-UHFFFAOYSA-N 1 2 206.116 2.957 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1Cl ZINC000851989419 588652491 /nfs/dbraw/zinc/65/24/91/588652491.db2.gz HPMHQZVHTFJOLY-SNVBAGLBSA-N 1 2 237.730 2.802 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1cccc(OC)c1Cl ZINC000851989419 588652492 /nfs/dbraw/zinc/65/24/92/588652492.db2.gz HPMHQZVHTFJOLY-SNVBAGLBSA-N 1 2 237.730 2.802 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1nsc2ccccc21 ZINC000851988690 588652743 /nfs/dbraw/zinc/65/27/43/588652743.db2.gz BZSMPZGLBPLPCN-SNVBAGLBSA-N 1 2 230.336 2.750 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nsc2ccccc21 ZINC000851988690 588652744 /nfs/dbraw/zinc/65/27/44/588652744.db2.gz BZSMPZGLBPLPCN-SNVBAGLBSA-N 1 2 230.336 2.750 20 30 BFEDLO C=C(Cl)C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000852637084 588693626 /nfs/dbraw/zinc/69/36/26/588693626.db2.gz RQAMMMIOLGOQMY-NSHDSACASA-N 1 2 229.751 2.772 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000852637084 588693627 /nfs/dbraw/zinc/69/36/27/588693627.db2.gz RQAMMMIOLGOQMY-NSHDSACASA-N 1 2 229.751 2.772 20 30 BFEDLO CCCCCC[C@H](O)C[N@H+](CC)[C@H](C)C#N ZINC000852645530 588693832 /nfs/dbraw/zinc/69/38/32/588693832.db2.gz GFKCZLOHCKPWMT-OLZOCXBDSA-N 1 2 226.364 2.552 20 30 BFEDLO CCCCCC[C@H](O)C[N@@H+](CC)[C@H](C)C#N ZINC000852645530 588693833 /nfs/dbraw/zinc/69/38/33/588693833.db2.gz GFKCZLOHCKPWMT-OLZOCXBDSA-N 1 2 226.364 2.552 20 30 BFEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccco1 ZINC000118990416 589227211 /nfs/dbraw/zinc/22/72/11/589227211.db2.gz HUPLCGVEEXZUNG-VOTSOKGWSA-N 1 2 238.246 2.823 20 30 BFEDLO COc1cccc(/C=[NH+]/CC2CC=CC2)c1O ZINC000864345227 589354049 /nfs/dbraw/zinc/35/40/49/589354049.db2.gz RDBAKORWZPGLIS-XNTDXEJSSA-N 1 2 231.295 2.786 20 30 BFEDLO C/C=C/C/[NH+]=C/c1cccc(OCC)c1O ZINC000864346123 589354450 /nfs/dbraw/zinc/35/44/50/589354450.db2.gz OABLKKIMAMOMCM-JUNXBIINSA-N 1 2 219.284 2.786 20 30 BFEDLO O=C(/C=C\c1cn(C2CC2)c[nH+]1)c1cscn1 ZINC000865222503 589414601 /nfs/dbraw/zinc/41/46/01/589414601.db2.gz WNDWUDIJYXUNDR-RJRFIUFISA-N 1 2 245.307 2.571 20 30 BFEDLO N#Cc1cccc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865520895 589442956 /nfs/dbraw/zinc/44/29/56/589442956.db2.gz FDUDBHJFTZQYKP-UHFFFAOYSA-N 1 2 238.294 2.702 20 30 BFEDLO C[C@@H](O)c1ccc(N[C@H]2CC[C@@H](CC#N)C2)[nH+]c1 ZINC000865849345 589464872 /nfs/dbraw/zinc/46/48/72/589464872.db2.gz SZXDNOLFLOUCSI-MDZLAQPJSA-N 1 2 245.326 2.629 20 30 BFEDLO CC(C)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866214013 589480977 /nfs/dbraw/zinc/48/09/77/589480977.db2.gz GJKYVLGZRMNUMP-LLVKDONJSA-N 1 2 232.327 2.961 20 30 BFEDLO C[C@H]([NH2+]CC(C)(C)C)c1cccc(C#N)c1O ZINC000866241594 589482401 /nfs/dbraw/zinc/48/24/01/589482401.db2.gz FJIMDYIZPSWGDK-JTQLQIEISA-N 1 2 232.327 2.961 20 30 BFEDLO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(C#N)c1O ZINC000866295516 589484584 /nfs/dbraw/zinc/48/45/84/589484584.db2.gz DVAJGXWADYNMMY-ZYHUDNBSSA-N 1 2 244.338 2.961 20 30 BFEDLO CCC1([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866363101 589488153 /nfs/dbraw/zinc/48/81/53/589488153.db2.gz HPFCRVFRKLMRJG-JTQLQIEISA-N 1 2 230.311 2.857 20 30 BFEDLO C#CCCCSCc1[nH+]ccn1CC(F)F ZINC000871699374 589793742 /nfs/dbraw/zinc/79/37/42/589793742.db2.gz FGFSQOSAFQHZBN-UHFFFAOYSA-N 1 2 244.310 2.795 20 30 BFEDLO CC1(C)C[C@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000124154147 589952548 /nfs/dbraw/zinc/95/25/48/589952548.db2.gz UKKXGLXWMVYDQY-JXCQQFQQSA-N 1 2 233.311 2.769 20 30 BFEDLO C[C@@H](CCC#N)C[NH2+]c1ccc2c(c1)CCO2 ZINC000877045734 590274108 /nfs/dbraw/zinc/27/41/08/590274108.db2.gz FPMLQUGQUUDGLJ-NSHDSACASA-N 1 2 230.311 2.973 20 30 BFEDLO C=CC[NH+](CC=C)Cc1nc2c(o1)CCCC2 ZINC000877959231 590458421 /nfs/dbraw/zinc/45/84/21/590458421.db2.gz SRKTZCXTFBVXEA-UHFFFAOYSA-N 1 2 232.327 2.727 20 30 BFEDLO C=C/C=C/CC[N@H+](CCC#N)Cc1ccccn1 ZINC000878167440 590513405 /nfs/dbraw/zinc/51/34/05/590513405.db2.gz FBJBZGTXOXDTJM-ONEGZZNKSA-N 1 2 241.338 2.930 20 30 BFEDLO C=C/C=C/CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000878167440 590513408 /nfs/dbraw/zinc/51/34/08/590513408.db2.gz FBJBZGTXOXDTJM-ONEGZZNKSA-N 1 2 241.338 2.930 20 30 BFEDLO C=CC[C@@H]([NH2+][C@H](CC)c1ccccc1)C(=O)OC ZINC000878348091 590552880 /nfs/dbraw/zinc/55/28/80/590552880.db2.gz DWFAODYOFWDSMX-ZIAGYGMSSA-N 1 2 247.338 2.845 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)co1 ZINC000878821129 590628131 /nfs/dbraw/zinc/62/81/31/590628131.db2.gz SGOPPTLTVDJFGD-ZETCQYMHSA-N 1 2 232.205 2.690 20 30 BFEDLO CC[N@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@H](C)C#N ZINC000878986921 590670050 /nfs/dbraw/zinc/67/00/50/590670050.db2.gz AVSCZWVGXSXFOU-NEPJUHHUSA-N 1 2 238.375 2.814 20 30 BFEDLO CC[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@H](C)C#N ZINC000878986921 590670052 /nfs/dbraw/zinc/67/00/52/590670052.db2.gz AVSCZWVGXSXFOU-NEPJUHHUSA-N 1 2 238.375 2.814 20 30 BFEDLO C=CC(C)(C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000880322616 591004946 /nfs/dbraw/zinc/00/49/46/591004946.db2.gz IJGCKWLJRORUIP-UHFFFAOYSA-N 1 2 246.354 2.917 20 30 BFEDLO C=C(C)C[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000883006792 591507403 /nfs/dbraw/zinc/50/74/03/591507403.db2.gz CGTVWRBPOITOIE-ZDUSSCGKSA-N 1 2 242.322 2.974 20 30 BFEDLO CCc1nc(NCC2CCC(C#N)CC2)cc[nH+]1 ZINC000884497068 591956803 /nfs/dbraw/zinc/95/68/03/591956803.db2.gz OBJLVVQZMJDKKN-UHFFFAOYSA-N 1 2 244.342 2.781 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(C(C)C)s1 ZINC000934461020 631851410 /nfs/dbraw/zinc/85/14/10/631851410.db2.gz VEISESXSZMRZTH-JTQLQIEISA-N 1 2 237.372 2.812 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(C(C)C)s1 ZINC000934461020 631851405 /nfs/dbraw/zinc/85/14/05/631851405.db2.gz VEISESXSZMRZTH-JTQLQIEISA-N 1 2 237.372 2.812 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000934460246 631855037 /nfs/dbraw/zinc/85/50/37/631855037.db2.gz OTBPGKJFWWTCEJ-JTQLQIEISA-N 1 2 235.356 2.566 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000934460246 631855041 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ZINC000173988697 641224620 /nfs/dbraw/zinc/22/46/20/641224620.db2.gz ZRISFDVHUFZGJN-NTEUORMPSA-N 1 2 219.284 2.620 20 30 BFEDLO COc1cccc(/C=[NH+]/CCC2CC2)c1O ZINC000173988723 641226150 /nfs/dbraw/zinc/22/61/50/641226150.db2.gz ZQKPFXOPBAJGRT-NTEUORMPSA-N 1 2 219.284 2.620 20 30 BFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1ccc(F)nc1 ZINC000929428118 641313471 /nfs/dbraw/zinc/31/34/71/641313471.db2.gz CELXAWWIASOMRK-QWRGUYRKSA-N 1 2 235.306 2.763 20 30 BFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1ccc(F)nc1 ZINC000929428118 641313475 /nfs/dbraw/zinc/31/34/75/641313475.db2.gz CELXAWWIASOMRK-QWRGUYRKSA-N 1 2 235.306 2.763 20 30 BFEDLO Oc1cccc(/C=[NH+]\CC2CCCC2)c1O ZINC000914702080 641754110 /nfs/dbraw/zinc/75/41/10/641754110.db2.gz WFFOHPIEOFPBAB-ZROIWOOFSA-N 1 2 219.284 2.707 20 30 BFEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(F)nc1 ZINC000189330275 641801501 /nfs/dbraw/zinc/80/15/01/641801501.db2.gz GNZVSWXEGGHRFD-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(F)nc1 ZINC000189330275 641801505 /nfs/dbraw/zinc/80/15/05/641801505.db2.gz GNZVSWXEGGHRFD-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO C[C@H](C/[NH+]=C/c1ccccc1O)C1CC1 ZINC000920176875 642447727 /nfs/dbraw/zinc/44/77/27/642447727.db2.gz AUNGMTUGPGIXTM-GMROUXNLSA-N 1 2 203.285 2.857 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1ccc(F)cc1F ZINC000051017438 642493237 /nfs/dbraw/zinc/49/32/37/642493237.db2.gz PRYOVNTYILXGJX-UHFFFAOYSA-N 1 2 217.646 2.807 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929475164 646132978 /nfs/dbraw/zinc/13/29/78/646132978.db2.gz SZHCISQZERFMBF-JTQLQIEISA-N 1 2 247.729 2.803 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929475164 646132980 /nfs/dbraw/zinc/13/29/80/646132980.db2.gz SZHCISQZERFMBF-JTQLQIEISA-N 1 2 247.729 2.803 20 30 BFEDLO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(C#N)c1O ZINC000924949173 646138170 /nfs/dbraw/zinc/13/81/70/646138170.db2.gz KQAINWBUKRJRHO-XDTLVQLUSA-N 1 2 230.311 2.713 20 30 BFEDLO C=CCCCCC[N@@H+](C)Cc1nncs1 ZINC000929693182 646250240 /nfs/dbraw/zinc/25/02/40/646250240.db2.gz BZZXYGYZSBXRPB-UHFFFAOYSA-N 1 2 225.361 2.716 20 30 BFEDLO C=CCCCCC[N@H+](C)Cc1nncs1 ZINC000929693182 646250243 /nfs/dbraw/zinc/25/02/43/646250243.db2.gz BZZXYGYZSBXRPB-UHFFFAOYSA-N 1 2 225.361 2.716 20 30 BFEDLO CC(=[NH+]OCC1CC1)c1cc(N)ccc1F ZINC000382162850 710800762 /nfs/dbraw/zinc/80/07/62/710800762.db2.gz UBEHNGQCCMFIDG-UHFFFAOYSA-N 1 2 222.263 2.559 20 30 BFEDLO C=CC(C)(C)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000385059089 711830549 /nfs/dbraw/zinc/83/05/49/711830549.db2.gz SYBKRJLZQVGQPQ-JTQLQIEISA-N 1 2 227.348 2.518 20 30 BFEDLO C=CC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708392019 712191621 /nfs/dbraw/zinc/19/16/21/712191621.db2.gz YZIYUAQKYQBVQF-MRVPVSSYSA-N 1 2 227.254 2.725 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000932154779 712716146 /nfs/dbraw/zinc/71/61/46/712716146.db2.gz MWYWTYDKFZCGNP-NXEZZACHSA-N 1 2 247.169 2.806 20 30 BFEDLO N#C[C@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000932154779 712716147 /nfs/dbraw/zinc/71/61/47/712716147.db2.gz MWYWTYDKFZCGNP-NXEZZACHSA-N 1 2 247.169 2.806 20 30 BFEDLO Cc1nc(C[NH2+]CC2(C#N)CCCC2)sc1C ZINC000719537780 712809402 /nfs/dbraw/zinc/80/94/02/712809402.db2.gz WYRCWRSDZQWENS-UHFFFAOYSA-N 1 2 249.383 2.934 20 30 BFEDLO C#C[C@](C)(CC)Nc1ccc(CC)c[nH+]1 ZINC001169702062 969827669 /nfs/dbraw/zinc/82/76/69/969827669.db2.gz YCWMDKOVNNWFLF-CYBMUJFWSA-N 1 2 202.301 2.858 20 30 BFEDLO CC1(C)CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001255301863 970067398 /nfs/dbraw/zinc/06/73/98/970067398.db2.gz VZGUVBYGBQIQIS-UHFFFAOYSA-N 1 2 236.359 2.618 20 30 BFEDLO CCCC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255326714 970101297 /nfs/dbraw/zinc/10/12/97/970101297.db2.gz UALVAMZTYITRQB-JQWIXIFHSA-N 1 2 239.384 2.839 20 30 BFEDLO CCCC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255326714 970101314 /nfs/dbraw/zinc/10/13/14/970101314.db2.gz UALVAMZTYITRQB-JQWIXIFHSA-N 1 2 239.384 2.839 20 30 BFEDLO CCCOC1CCC([NH2+][C@@H](C#N)CC)CC1 ZINC001173093730 975018506 /nfs/dbraw/zinc/01/85/06/975018506.db2.gz APSYAPQNKJNGSH-PNESKVBLSA-N 1 2 224.348 2.616 20 30 BFEDLO CCC#C[C@@H](C)Oc1c(C)cc[nH+]c1C ZINC001227265660 975344449 /nfs/dbraw/zinc/34/44/49/975344449.db2.gz VNMOPVDEAXNELO-LLVKDONJSA-N 1 2 203.285 2.879 20 30 BFEDLO C=C[C@H](CC)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001338243495 978644257 /nfs/dbraw/zinc/64/42/57/978644257.db2.gz PHGRVRLRTMXHSA-GFCCVEGCSA-N 1 2 232.327 2.661 20 30 BFEDLO CCC(CC)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201523501 983321383 /nfs/dbraw/zinc/32/13/83/983321383.db2.gz PDEYCKLXVFWSII-LBPRGKRZSA-N 1 2 239.384 2.697 20 30 BFEDLO CCC(CC)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201523501 983321388 /nfs/dbraw/zinc/32/13/88/983321388.db2.gz PDEYCKLXVFWSII-LBPRGKRZSA-N 1 2 239.384 2.697 20 30 BFEDLO CCCCCCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001201761404 983466566 /nfs/dbraw/zinc/46/65/66/983466566.db2.gz COCAZQDXJYNFPJ-GFCCVEGCSA-N 1 2 229.339 2.960 20 30 BFEDLO CCCCCCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001201761404 983466573 /nfs/dbraw/zinc/46/65/73/983466573.db2.gz COCAZQDXJYNFPJ-GFCCVEGCSA-N 1 2 229.339 2.960 20 30 BFEDLO Cc1nnn([NH+]=C[C@@H]2CCCC(C)(C)C2)c1C ZINC001331336697 974687707 /nfs/dbraw/zinc/68/77/07/974687707.db2.gz SRIXWYPMEQAMHV-GFCCVEGCSA-N 1 2 234.347 2.945 20 30 BFEDLO CCCC[N@H+](CC#N)[C@H](C)CCOC(C)C ZINC001172456450 974818488 /nfs/dbraw/zinc/81/84/88/974818488.db2.gz NQINQUIASHNJTL-CYBMUJFWSA-N 1 2 226.364 2.816 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@H](C)CCOC(C)C ZINC001172456450 974818493 /nfs/dbraw/zinc/81/84/93/974818493.db2.gz NQINQUIASHNJTL-CYBMUJFWSA-N 1 2 226.364 2.816 20 30 BFEDLO C(#Cc1ccccc1)CNc1cccc[nH+]1 ZINC001170424120 970781564 /nfs/dbraw/zinc/78/15/64/970781564.db2.gz QETPRPXQYIORCK-UHFFFAOYSA-N 1 2 208.264 2.545 20 30 BFEDLO N#CC1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000403575829 970979653 /nfs/dbraw/zinc/97/96/53/970979653.db2.gz YSJIKWNAEYKPJB-UHFFFAOYSA-N 1 2 219.115 2.541 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257903000 971533471 /nfs/dbraw/zinc/53/34/71/971533471.db2.gz UHZIMZSBRUQAIS-CYBMUJFWSA-N 1 2 236.359 2.618 20 30 BFEDLO C#C[C@H](CCCCC)Oc1cc(N)cc[nH+]1 ZINC001218211696 971630416 /nfs/dbraw/zinc/63/04/16/971630416.db2.gz BHDMWZDKEGSUHD-GFCCVEGCSA-N 1 2 218.300 2.625 20 30 BFEDLO CC1(C)[C@@H]2C[C@H]([NH2+]C3(C#N)CCCC3)C[C@@H]21 ZINC001170724948 971657422 /nfs/dbraw/zinc/65/74/22/971657422.db2.gz RNBOWHXZCGVAOX-ZSBIGDGJSA-N 1 2 218.344 2.847 20 30 BFEDLO CC[C@@](C)(C#N)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724218 971655686 /nfs/dbraw/zinc/65/56/86/971655686.db2.gz FZPAJKJZWYUCSO-KQXIARHKSA-N 1 2 206.333 2.703 20 30 BFEDLO CC(C)C[C@H](C#N)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170731410 971670080 /nfs/dbraw/zinc/67/00/80/971670080.db2.gz QGJIEUAVSLQHEJ-LPWJVIDDSA-N 1 2 220.360 2.949 20 30 BFEDLO C=CCC[C@H](CC)Oc1cc(N)cc[nH+]1 ZINC001218435656 971816082 /nfs/dbraw/zinc/81/60/82/971816082.db2.gz ATAAPPOYNUVYHR-NSHDSACASA-N 1 2 206.289 2.787 20 30 BFEDLO CC(C)=CCCC(C)=[NH+]n1nnc(C)c1C ZINC001330891131 974524818 /nfs/dbraw/zinc/52/48/18/974524818.db2.gz GEXCCGOZHHAHEQ-UHFFFAOYSA-N 1 2 220.320 2.865 20 30 BFEDLO Cc1cc(-c2cc(CC#N)ccc2F)c[nH+]c1N ZINC001245538843 971850159 /nfs/dbraw/zinc/85/01/59/971850159.db2.gz ILQIDRDOORFMMU-UHFFFAOYSA-N 1 2 241.269 2.844 20 30 BFEDLO Cc1cc2cc(NCCCS)[nH+]cc2[nH]1 ZINC001171000758 972225534 /nfs/dbraw/zinc/22/55/34/972225534.db2.gz GHSGNUDDNWYACB-UHFFFAOYSA-N 1 2 221.329 2.603 20 30 BFEDLO C=CCN(Cc1ccccc1)c1ccc(N)c[nH+]1 ZINC001167126023 957424379 /nfs/dbraw/zinc/42/43/79/957424379.db2.gz HVRKAOXNWWXMDX-UHFFFAOYSA-N 1 2 239.322 2.856 20 30 BFEDLO C=CCCCCCCC[N@@H+]1CCC(=O)C1 ZINC001209439545 957474325 /nfs/dbraw/zinc/47/43/25/957474325.db2.gz SOXHOUSERUOKRO-UHFFFAOYSA-N 1 2 209.333 2.788 20 30 BFEDLO C=CCCCCCCC[N@H+]1CCC(=O)C1 ZINC001209439545 957474335 /nfs/dbraw/zinc/47/43/35/957474335.db2.gz SOXHOUSERUOKRO-UHFFFAOYSA-N 1 2 209.333 2.788 20 30 BFEDLO C#Cc1ccc(Nc2cc(C)[nH+]c(OC)c2)cn1 ZINC001210780075 957873810 /nfs/dbraw/zinc/87/38/10/957873810.db2.gz GCHVQBMPMYGBCA-UHFFFAOYSA-N 1 2 239.278 2.519 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1nc(C(F)(F)F)c[nH]1 ZINC001137017467 972330190 /nfs/dbraw/zinc/33/01/90/972330190.db2.gz KPCCTEQYPYWOHM-UHFFFAOYSA-N 1 2 247.264 2.827 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1nc(C(F)(F)F)c[nH]1 ZINC001137017467 972330195 /nfs/dbraw/zinc/33/01/95/972330195.db2.gz KPCCTEQYPYWOHM-UHFFFAOYSA-N 1 2 247.264 2.827 20 30 BFEDLO COc1ccc(C[N@H+](CCC#N)CC(C)C)o1 ZINC000891464543 958433859 /nfs/dbraw/zinc/43/38/59/958433859.db2.gz GDXRVYOYCHYSPF-UHFFFAOYSA-N 1 2 236.315 2.660 20 30 BFEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)C)o1 ZINC000891464543 958433862 /nfs/dbraw/zinc/43/38/62/958433862.db2.gz GDXRVYOYCHYSPF-UHFFFAOYSA-N 1 2 236.315 2.660 20 30 BFEDLO C=C[C@H](C#CC(C)(C)C)OCCn1cc[nH+]c1 ZINC001222139442 972380753 /nfs/dbraw/zinc/38/07/53/972380753.db2.gz SAZLDGKKBKYYDK-CYBMUJFWSA-N 1 2 232.327 2.504 20 30 BFEDLO C=CC[C@@H](CCC)OCCn1cc[nH+]c1 ZINC001222134206 972382499 /nfs/dbraw/zinc/38/24/99/972382499.db2.gz BSDPYFDGERBYNK-LBPRGKRZSA-N 1 2 208.305 2.645 20 30 BFEDLO C=C(C)C[C@@H](OCCn1cc[nH+]c1)C(=C)C ZINC001222138286 972389147 /nfs/dbraw/zinc/38/91/47/972389147.db2.gz DJVFFBYVSXPCTD-CYBMUJFWSA-N 1 2 220.316 2.811 20 30 BFEDLO C=CCn1cc(-c2cc(C)cn3cc[nH+]c23)cn1 ZINC001222395509 972454600 /nfs/dbraw/zinc/45/46/00/972454600.db2.gz JBGHUESYIBYWMB-UHFFFAOYSA-N 1 2 238.294 2.692 20 30 BFEDLO C#CCCNc1cc(C)c2ccccc2[nH+]1 ZINC000309215704 959786622 /nfs/dbraw/zinc/78/66/22/959786622.db2.gz PEWFRLWAYUNUMJ-UHFFFAOYSA-N 1 2 210.280 2.978 20 30 BFEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000689883717 960424394 /nfs/dbraw/zinc/42/43/94/960424394.db2.gz UCVXLGSXKNKBPE-CYBMUJFWSA-N 1 2 248.301 2.501 20 30 BFEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](F)C1 ZINC000689883717 960424407 /nfs/dbraw/zinc/42/44/07/960424407.db2.gz UCVXLGSXKNKBPE-CYBMUJFWSA-N 1 2 248.301 2.501 20 30 BFEDLO C=C[C@@H](CCCC)OCc1c[nH+]cn1C ZINC001222600623 960726012 /nfs/dbraw/zinc/72/60/12/960726012.db2.gz SMVCGRCHQWQTBJ-LBPRGKRZSA-N 1 2 208.305 2.682 20 30 BFEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167919347 961925339 /nfs/dbraw/zinc/92/53/39/961925339.db2.gz YXUXZZPOKYXPBY-LOWDOPEQSA-N 1 2 206.333 2.703 20 30 BFEDLO N#CCc1cc[nH+]c(N[C@@H]2CCCC[C@H]2F)c1 ZINC001155062889 962956521 /nfs/dbraw/zinc/95/65/21/962956521.db2.gz TVEZUUXDBSCBLM-VXGBXAGGSA-N 1 2 233.290 2.840 20 30 BFEDLO CC[C@H](C)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001167999015 963208557 /nfs/dbraw/zinc/20/85/57/963208557.db2.gz IXLWUGJJLUYPOO-JTQLQIEISA-N 1 2 215.300 2.847 20 30 BFEDLO COc1ccc[nH+]c1NCc1ccccc1C#N ZINC001156786133 963463363 /nfs/dbraw/zinc/46/33/63/963463363.db2.gz YYKIKNFGWNPQJK-UHFFFAOYSA-N 1 2 239.278 2.574 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)cc(C)c1O ZINC000896506266 963468813 /nfs/dbraw/zinc/46/88/13/963468813.db2.gz RMPFKDNTFSRUML-CYBMUJFWSA-N 1 2 244.338 2.745 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)cc(C)c1O ZINC000896506266 963468819 /nfs/dbraw/zinc/46/88/19/963468819.db2.gz RMPFKDNTFSRUML-CYBMUJFWSA-N 1 2 244.338 2.745 20 30 BFEDLO C#C[C@](C)(CC)Nc1cc(CCC)[nH+]c(C)n1 ZINC001158737690 963911847 /nfs/dbraw/zinc/91/18/47/963911847.db2.gz JOKAAKPHHYAIAX-CQSZACIVSA-N 1 2 231.343 2.951 20 30 BFEDLO C#C[C@@](C)(CC)Nc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001158742576 963913168 /nfs/dbraw/zinc/91/31/68/963913168.db2.gz IDDRZLZSMJFNRE-AWEZNQCLSA-N 1 2 238.294 2.648 20 30 BFEDLO C=Cc1ccc(NCC(C)(C)S)[nH+]c1 ZINC001159268300 964041661 /nfs/dbraw/zinc/04/16/61/964041661.db2.gz QLXIGUOTXOYKRO-UHFFFAOYSA-N 1 2 208.330 2.845 20 30 BFEDLO CSCc1cc[nH+]c(NCCCS)c1 ZINC001159871688 964218435 /nfs/dbraw/zinc/21/84/35/964218435.db2.gz PSRDJQABMUHUQO-UHFFFAOYSA-N 1 2 228.386 2.676 20 30 BFEDLO CCCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001162202075 964860734 /nfs/dbraw/zinc/86/07/34/964860734.db2.gz GBGKVZAQXQOALP-UHFFFAOYSA-N 1 2 215.300 2.849 20 30 BFEDLO Cc1c[nH+]cc(NCC2(C#N)CCC2)c1C ZINC001162412787 964969343 /nfs/dbraw/zinc/96/93/43/964969343.db2.gz ZYQWYMUBGMLZMS-UHFFFAOYSA-N 1 2 215.300 2.804 20 30 BFEDLO C#CCNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001163362235 965363408 /nfs/dbraw/zinc/36/34/08/965363408.db2.gz OKRGFXTXOGCXSI-UHFFFAOYSA-N 1 2 238.290 2.706 20 30 BFEDLO C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)[C@@H]1C ZINC001232680172 965394409 /nfs/dbraw/zinc/39/44/09/965394409.db2.gz YSJGOOWAIIJGLX-VXGBXAGGSA-N 1 2 244.338 2.884 20 30 BFEDLO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)[C@@H]1C ZINC001232680172 965394428 /nfs/dbraw/zinc/39/44/28/965394428.db2.gz YSJGOOWAIIJGLX-VXGBXAGGSA-N 1 2 244.338 2.884 20 30 BFEDLO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678437 965395493 /nfs/dbraw/zinc/39/54/93/965395493.db2.gz ZEQRRRZFKZJURZ-CQSZACIVSA-N 1 2 244.338 2.884 20 30 BFEDLO CC(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678437 965395504 /nfs/dbraw/zinc/39/55/04/965395504.db2.gz ZEQRRRZFKZJURZ-CQSZACIVSA-N 1 2 244.338 2.884 20 30 BFEDLO Cc1cc[nH+]c(NC2=CC(=O)CCC2)c1C ZINC001163451471 965407577 /nfs/dbraw/zinc/40/75/77/965407577.db2.gz DKSUYMRWCZBUEZ-UHFFFAOYSA-N 1 2 216.284 2.747 20 30 BFEDLO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001168496935 966053497 /nfs/dbraw/zinc/05/34/97/966053497.db2.gz LSDGBSHCYFXGMK-OCCSQVGLSA-N 1 2 246.329 2.992 20 30 BFEDLO C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001168496935 966053512 /nfs/dbraw/zinc/05/35/12/966053512.db2.gz LSDGBSHCYFXGMK-OCCSQVGLSA-N 1 2 246.329 2.992 20 30 BFEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001168496850 966056508 /nfs/dbraw/zinc/05/65/08/966056508.db2.gz LSDGBSHCYFXGMK-GXTWGEPZSA-N 1 2 246.329 2.992 20 30 BFEDLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@H](C#N)C1 ZINC001168496850 966056522 /nfs/dbraw/zinc/05/65/22/966056522.db2.gz LSDGBSHCYFXGMK-GXTWGEPZSA-N 1 2 246.329 2.992 20 30 BFEDLO N#CCc1ccc[nH+]c1NCCc1ccsc1 ZINC001166783298 966405805 /nfs/dbraw/zinc/40/58/05/966405805.db2.gz DAZIQUJFGOAVKM-UHFFFAOYSA-N 1 2 243.335 2.864 20 30 BFEDLO C#C[C@H]1CCCN(c2cc(SC)cc[nH+]2)C1 ZINC001167006691 966518219 /nfs/dbraw/zinc/51/82/19/966518219.db2.gz FMFJFRMREACHKQ-NSHDSACASA-N 1 2 232.352 2.653 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ccoc1 ZINC001204243081 966943413 /nfs/dbraw/zinc/94/34/13/966943413.db2.gz KAKJFDLDMDMOAS-UHFFFAOYSA-N 1 2 206.289 2.795 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ccoc1 ZINC001204243081 966943420 /nfs/dbraw/zinc/94/34/20/966943420.db2.gz KAKJFDLDMDMOAS-UHFFFAOYSA-N 1 2 206.289 2.795 20 30 BFEDLO N#Cc1cccc(N)c1Nc1ccn2cc[nH+]c2c1 ZINC001204998050 967278660 /nfs/dbraw/zinc/27/86/60/967278660.db2.gz RKSADGBHQSRTGC-UHFFFAOYSA-N 1 2 249.277 2.532 20 30 BFEDLO N#Cc1cc(CCn2cc[nH+]c2)ccc1Cl ZINC001250315359 967679787 /nfs/dbraw/zinc/67/97/87/967679787.db2.gz KQICAWCEBLIUIE-UHFFFAOYSA-N 1 2 231.686 2.651 20 30 BFEDLO N#Cc1ccc(CCn2cc[nH+]c2)c(Cl)c1 ZINC001250319389 967694984 /nfs/dbraw/zinc/69/49/84/967694984.db2.gz CRSCGWNLWGEQLA-UHFFFAOYSA-N 1 2 231.686 2.651 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ncccc1C ZINC001205799684 967822616 /nfs/dbraw/zinc/82/26/16/967822616.db2.gz FAISDTVFUGKHFE-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ncccc1C ZINC001205799684 967822622 /nfs/dbraw/zinc/82/26/22/967822622.db2.gz FAISDTVFUGKHFE-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO C#CCCCNc1cc[nH+]c(OC(C)C)c1 ZINC001162446067 967837576 /nfs/dbraw/zinc/83/75/76/967837576.db2.gz ZECFTAPTXZBZLA-UHFFFAOYSA-N 1 2 218.300 2.694 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccncc1C ZINC001205858050 967859292 /nfs/dbraw/zinc/85/92/92/967859292.db2.gz WFMFHKVSXYIFHK-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccncc1C ZINC001205858050 967859295 /nfs/dbraw/zinc/85/92/95/967859295.db2.gz WFMFHKVSXYIFHK-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO C=C(C)CNc1cc[nH+]c(OC2CCOCC2)c1 ZINC001163382190 968030805 /nfs/dbraw/zinc/03/08/05/968030805.db2.gz VWNDASQCYPICSS-UHFFFAOYSA-N 1 2 248.326 2.627 20 30 BFEDLO CC(C)N(C)c1[nH+]ccc2ccc(C#N)cc21 ZINC001163619448 968083001 /nfs/dbraw/zinc/08/30/01/968083001.db2.gz RYLSPZGIOGNYRW-UHFFFAOYSA-N 1 2 225.295 2.951 20 30 BFEDLO N#CCC[N@@H+](Cc1cncc(F)c1)C1CCCC1 ZINC001207023824 968559050 /nfs/dbraw/zinc/55/90/50/968559050.db2.gz WOFVDOHOZOKYPL-UHFFFAOYSA-N 1 2 247.317 2.879 20 30 BFEDLO N#CCC[N@H+](Cc1cncc(F)c1)C1CCCC1 ZINC001207023824 968559051 /nfs/dbraw/zinc/55/90/51/968559051.db2.gz WOFVDOHOZOKYPL-UHFFFAOYSA-N 1 2 247.317 2.879 20 30 BFEDLO C=CCC[C@@H](O)CNc1c(C)cc[nH+]c1CC ZINC001252593352 968851150 /nfs/dbraw/zinc/85/11/50/968851150.db2.gz GWUQVBJUEMXPPE-GFCCVEGCSA-N 1 2 234.343 2.691 20 30 BFEDLO CC1=C[C@H](C)[C@@H](C[N@@H+](C)[C@@H](C)C#N)CC1 ZINC001208166419 969099285 /nfs/dbraw/zinc/09/92/85/969099285.db2.gz AKZYMQCOUJXETD-RWMBFGLXSA-N 1 2 206.333 2.823 20 30 BFEDLO CC1=C[C@H](C)[C@@H](C[N@H+](C)[C@@H](C)C#N)CC1 ZINC001208166419 969099295 /nfs/dbraw/zinc/09/92/95/969099295.db2.gz AKZYMQCOUJXETD-RWMBFGLXSA-N 1 2 206.333 2.823 20 30 BFEDLO C#Cc1cccc(-c2cc[nH+]c(NC)c2)c1 ZINC001241920024 969146359 /nfs/dbraw/zinc/14/63/59/969146359.db2.gz RHEMMCRXDQDESR-UHFFFAOYSA-N 1 2 208.264 2.772 20 30 BFEDLO C=CCCCCCC[N@@H+]1CCCC(=O)C1 ZINC001209435952 969508395 /nfs/dbraw/zinc/50/83/95/969508395.db2.gz LDLYICUZTQTIFG-UHFFFAOYSA-N 1 2 209.333 2.788 20 30 BFEDLO C=CCCCCCC[N@H+]1CCCC(=O)C1 ZINC001209435952 969508401 /nfs/dbraw/zinc/50/84/01/969508401.db2.gz LDLYICUZTQTIFG-UHFFFAOYSA-N 1 2 209.333 2.788 20 30 BFEDLO Cc1cn2c(cccc2Nc2ccc(C#N)nc2)[nH+]1 ZINC001209461530 969518453 /nfs/dbraw/zinc/51/84/53/969518453.db2.gz IEBRCESTPOGLSZ-UHFFFAOYSA-N 1 2 249.277 2.653 20 30 BFEDLO N#C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692649 969575849 /nfs/dbraw/zinc/57/58/49/969575849.db2.gz SHUXJUSQTMSSNX-SNVBAGLBSA-N 1 2 243.285 2.652 20 30 BFEDLO N#C[C@H]1CC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692649 969575855 /nfs/dbraw/zinc/57/58/55/969575855.db2.gz SHUXJUSQTMSSNX-SNVBAGLBSA-N 1 2 243.285 2.652 20 30 BFEDLO C[C@@H](C#N)[N@H+](C)C1CCc2ccccc2CC1 ZINC001254462527 969646466 /nfs/dbraw/zinc/64/64/66/969646466.db2.gz BWDHVBWDFXVKMO-LBPRGKRZSA-N 1 2 228.339 2.778 20 30 BFEDLO 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BFEDLO C=CCCCCCCN1CC2(CC[N@@H+]2C)C1 ZINC001276041284 984805724 /nfs/dbraw/zinc/80/57/24/984805724.db2.gz JLHOLELPRZCLJH-UHFFFAOYSA-N 1 2 222.376 2.513 20 30 BFEDLO N#CCc1cc(F)ccc1-c1ccc[nH+]c1N ZINC001243473200 985024320 /nfs/dbraw/zinc/02/43/20/985024320.db2.gz HGGLUCSBYJTKDA-UHFFFAOYSA-N 1 2 227.242 2.536 20 30 BFEDLO N#CCc1ccc(-c2ccc[nH+]c2N)c(F)c1 ZINC001243474818 985031601 /nfs/dbraw/zinc/03/16/01/985031601.db2.gz SGCSVYQDJTYFME-UHFFFAOYSA-N 1 2 227.242 2.536 20 30 BFEDLO N#CCCc1cccc(-c2ccc[nH+]c2N)c1 ZINC001243474896 985032709 /nfs/dbraw/zinc/03/27/09/985032709.db2.gz TZYYDVNEEDZWNW-UHFFFAOYSA-N 1 2 223.279 2.787 20 30 BFEDLO Nc1[nH+]cccc1-c1cccc(CS)c1 ZINC001243476507 985036768 /nfs/dbraw/zinc/03/67/68/985036768.db2.gz BTIUWQDQQQHXAR-UHFFFAOYSA-N 1 2 216.309 2.761 20 30 BFEDLO COc1ccc(-c2c[nH+]c(N)c(C)c2)c(C#N)c1 ZINC001243728944 985251622 /nfs/dbraw/zinc/25/16/22/985251622.db2.gz OONWRJLMDWAJEP-UHFFFAOYSA-N 1 2 239.278 2.520 20 30 BFEDLO Cc1cc2[nH+]ccn2cc1-c1ccc(N)c(C#N)c1 ZINC001244113656 985823584 /nfs/dbraw/zinc/82/35/84/985823584.db2.gz DJLUNBPSIQBTOH-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO Cc1cc2[nH+]ccn2cc1-c1ccncc1C#N ZINC001244333415 985970246 /nfs/dbraw/zinc/97/02/46/985970246.db2.gz CFVLISCNBYSNEQ-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO N#Cc1cnccc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001244334841 985975212 /nfs/dbraw/zinc/97/52/12/985975212.db2.gz RYEHWYGVCWHVHR-UHFFFAOYSA-N 1 2 246.273 2.806 20 30 BFEDLO CCc1cn(Cc2ccc(C#N)cc2F)c[nH+]1 ZINC001459257508 986073288 /nfs/dbraw/zinc/07/32/88/986073288.db2.gz AEBUVTACNPUZGQ-UHFFFAOYSA-N 1 2 229.258 2.505 20 30 BFEDLO C[C@@H]1CCC[C@@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001258807356 986264317 /nfs/dbraw/zinc/26/43/17/986264317.db2.gz HDSZYVRILUDCFL-VXGBXAGGSA-N 1 2 206.333 2.991 20 30 BFEDLO COc1ccc(-c2cccn3cc[nH+]c23)cc1C#N ZINC001244708362 986318179 /nfs/dbraw/zinc/31/81/79/986318179.db2.gz MXUKWXIJWQTNLZ-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO Cc1c(C#N)cccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001244820210 986360160 /nfs/dbraw/zinc/36/01/60/986360160.db2.gz LHBFGSLDYVSANR-UHFFFAOYSA-N 1 2 249.317 2.930 20 30 BFEDLO CCc1cc(-c2ccc(N)[nH+]c2)ccc1C#N ZINC001244951715 986503343 /nfs/dbraw/zinc/50/33/43/986503343.db2.gz DLHPOBAFQXBGHB-UHFFFAOYSA-N 1 2 223.279 2.765 20 30 BFEDLO CNc1cc(-c2cccc(/C=N/O)c2)cc[nH+]1 ZINC001244971838 986547053 /nfs/dbraw/zinc/54/70/53/986547053.db2.gz JKEOHQDLXQIHFD-CXUHLZMHSA-N 1 2 227.267 2.598 20 30 BFEDLO C=C/C(=[NH+]\COC)c1cccc(Cl)c1N ZINC001245178407 986717970 /nfs/dbraw/zinc/71/79/70/986717970.db2.gz LPCMNPZSYMAVGK-GXDHUFHOSA-N 1 2 224.691 2.501 20 30 BFEDLO O=C1c2c(c(F)ccc2F)C/C1=C/c1[nH]cc[nH+]1 ZINC000749590513 987057030 /nfs/dbraw/zinc/05/70/30/987057030.db2.gz NJWOSIWILIATTQ-SREVYHEPSA-N 1 2 246.216 2.510 20 30 BFEDLO CC(C)c1ocnc1C[NH+]1CCC(C#N)CC1 ZINC001116453439 987583662 /nfs/dbraw/zinc/58/36/62/987583662.db2.gz LDPJYABOCHOLJQ-UHFFFAOYSA-N 1 2 233.315 2.534 20 30 BFEDLO C=CCC1(O)C[NH+](Cc2c(F)cccc2CC)C1 ZINC001474752513 987819390 /nfs/dbraw/zinc/81/93/90/987819390.db2.gz YQOOGUYIBBYMIA-UHFFFAOYSA-N 1 2 249.329 2.511 20 30 BFEDLO C[C@H]1CCCC(=NNCCCn2cc[nH+]c2)CC1 ZINC001119356323 989002575 /nfs/dbraw/zinc/00/25/75/989002575.db2.gz GPJZZOUTPVQTSN-ZDUSSCGKSA-N 1 2 248.374 2.819 20 30 BFEDLO C=C(CC)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324859446 989007035 /nfs/dbraw/zinc/00/70/35/989007035.db2.gz LJMGBQVQYULQKK-UHFFFAOYSA-N 1 2 232.283 2.877 20 30 BFEDLO C=C(CC)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324859446 989007043 /nfs/dbraw/zinc/00/70/43/989007043.db2.gz LJMGBQVQYULQKK-UHFFFAOYSA-N 1 2 232.283 2.877 20 30 BFEDLO C=CC[N@@H+](C)Cc1cc(C)c(C)nc1Cl ZINC001249029357 989237570 /nfs/dbraw/zinc/23/75/70/989237570.db2.gz USGAOWJZYYGNAN-UHFFFAOYSA-N 1 2 224.735 2.970 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(C)c(C)nc1Cl ZINC001249029357 989237578 /nfs/dbraw/zinc/23/75/78/989237578.db2.gz USGAOWJZYYGNAN-UHFFFAOYSA-N 1 2 224.735 2.970 20 30 BFEDLO C=CCCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001526099871 990111608 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/nfs/dbraw/zinc/07/14/71/991071471.db2.gz QPQGDGJJQZQQEF-UHFFFAOYSA-N 1 2 235.302 2.680 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(COC)s1 ZINC001139827470 991385570 /nfs/dbraw/zinc/38/55/70/991385570.db2.gz YGXHPZUAEUXRFF-UHFFFAOYSA-N 1 2 238.356 2.630 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(COC)s1 ZINC001139827470 991385580 /nfs/dbraw/zinc/38/55/80/991385580.db2.gz YGXHPZUAEUXRFF-UHFFFAOYSA-N 1 2 238.356 2.630 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(C)cn1 ZINC001139838799 991394859 /nfs/dbraw/zinc/39/48/59/991394859.db2.gz RUJHUTOUARESTO-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc(C)cn1 ZINC001139838799 991394864 /nfs/dbraw/zinc/39/48/64/991394864.db2.gz RUJHUTOUARESTO-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc(O)ccc1F ZINC001140049173 991499727 /nfs/dbraw/zinc/49/97/27/991499727.db2.gz YOAXDPURZBTWGC-UHFFFAOYSA-N 1 2 221.275 2.705 20 30 BFEDLO CC1(C#N)CC[NH+](Cc2cc(O)ccc2F)CC1 ZINC001140051096 991500501 /nfs/dbraw/zinc/50/05/01/991500501.db2.gz BPBCLQOVKJMOJF-UHFFFAOYSA-N 1 2 248.301 2.657 20 30 BFEDLO N#CCC[N@@H+](Cc1cccc(F)n1)C1CCCC1 ZINC001140133829 991530844 /nfs/dbraw/zinc/53/08/44/991530844.db2.gz SMDWZFPEQWZPIO-UHFFFAOYSA-N 1 2 247.317 2.879 20 30 BFEDLO N#CCC[N@H+](Cc1cccc(F)n1)C1CCCC1 ZINC001140133829 991530856 /nfs/dbraw/zinc/53/08/56/991530856.db2.gz SMDWZFPEQWZPIO-UHFFFAOYSA-N 1 2 247.317 2.879 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(C)cc1O ZINC001140201003 991562805 /nfs/dbraw/zinc/56/28/05/991562805.db2.gz CJGWHDATBMDLDZ-ZDUSSCGKSA-N 1 2 244.338 2.745 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)cc1O ZINC001140201003 991562793 /nfs/dbraw/zinc/56/27/93/991562793.db2.gz CJGWHDATBMDLDZ-ZDUSSCGKSA-N 1 2 244.338 2.745 20 30 BFEDLO CC[C@@H](C)C[C@H](CC)[NH2+]C1(C#N)CCOCC1 ZINC001258785429 991760497 /nfs/dbraw/zinc/76/04/97/991760497.db2.gz GUNUJZFDQDVTEB-OLZOCXBDSA-N 1 2 238.375 2.864 20 30 BFEDLO C#CC[N@@H+](Cc1ccncc1Cl)CC1CC1 ZINC001320135992 992109951 /nfs/dbraw/zinc/10/99/51/992109951.db2.gz 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20 30 BFEDLO Cc1cccc(OCC[N@H+](C)[C@@H](C)CC#N)c1 ZINC000064931631 136210758 /nfs/dbraw/zinc/21/07/58/136210758.db2.gz NOYMWHXGGCCNGL-ZDUSSCGKSA-N 1 2 232.327 2.608 20 30 BFEDLO C=C(Cl)C[N@H+](Cc1ccccn1)C1CC1 ZINC000272573326 398148193 /nfs/dbraw/zinc/14/81/93/398148193.db2.gz ORQJJNYEAVRNTR-UHFFFAOYSA-N 1 2 222.719 2.799 20 30 BFEDLO C=C(Cl)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000272573326 398148198 /nfs/dbraw/zinc/14/81/98/398148198.db2.gz ORQJJNYEAVRNTR-UHFFFAOYSA-N 1 2 222.719 2.799 20 30 BFEDLO C#CC[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000274129729 398150313 /nfs/dbraw/zinc/15/03/13/398150313.db2.gz IBKYHRSHDPTHTO-UHFFFAOYSA-N 1 2 242.347 2.894 20 30 BFEDLO C#CC[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000274129729 398150317 /nfs/dbraw/zinc/15/03/17/398150317.db2.gz IBKYHRSHDPTHTO-UHFFFAOYSA-N 1 2 242.347 2.894 20 30 BFEDLO C=CCOc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000389960189 398152130 /nfs/dbraw/zinc/15/21/30/398152130.db2.gz HQARUKINVUCKDO-SNVBAGLBSA-N 1 2 241.281 2.995 20 30 BFEDLO Cc1cc(CNc2cccc[nH+]2)ccc1C#N ZINC000336425783 178043963 /nfs/dbraw/zinc/04/39/63/178043963.db2.gz YRIXKIATOHGZJZ-UHFFFAOYSA-N 1 2 223.279 2.874 20 30 BFEDLO C=CC[N@@H+](C)Cc1c(F)cc(C)cc1F ZINC000425338039 398214503 /nfs/dbraw/zinc/21/45/03/398214503.db2.gz OIHINNROLJWLNI-UHFFFAOYSA-N 1 2 211.255 2.891 20 30 BFEDLO C=CC[N@H+](C)Cc1c(F)cc(C)cc1F ZINC000425338039 398214505 /nfs/dbraw/zinc/21/45/05/398214505.db2.gz OIHINNROLJWLNI-UHFFFAOYSA-N 1 2 211.255 2.891 20 30 BFEDLO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CC#N ZINC000186046479 136220421 /nfs/dbraw/zinc/22/04/21/136220421.db2.gz MBOOMXCEXYXWBY-CQSZACIVSA-N 1 2 214.312 2.607 20 30 BFEDLO C[C@]1(Cc2ccccc2)CCC[N@H+]1CC#N ZINC000186046479 136220422 /nfs/dbraw/zinc/22/04/22/136220422.db2.gz MBOOMXCEXYXWBY-CQSZACIVSA-N 1 2 214.312 2.607 20 30 BFEDLO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc[nH+]1 ZINC000040727285 178179028 /nfs/dbraw/zinc/17/90/28/178179028.db2.gz RLQBBNVURBVFSA-NSHDSACASA-N 1 2 238.294 2.830 20 30 BFEDLO N#CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000334872504 398236903 /nfs/dbraw/zinc/23/69/03/398236903.db2.gz MRQBHFJXBUTBPT-ZIAGYGMSSA-N 1 2 214.312 2.826 20 30 BFEDLO C=C[C@](C)(CC)C(=O)OCc1c[nH+]ccc1OC ZINC000286677169 398249966 /nfs/dbraw/zinc/24/99/66/398249966.db2.gz BHKFXCGDVQIVHX-CQSZACIVSA-N 1 2 249.310 2.736 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc2ccccc2n1C ZINC000602447201 349547123 /nfs/dbraw/zinc/54/71/23/349547123.db2.gz LPGIGFVWORPCLM-LBPRGKRZSA-N 1 2 241.338 2.770 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc2ccccc2n1C ZINC000602447201 349547125 /nfs/dbraw/zinc/54/71/25/349547125.db2.gz LPGIGFVWORPCLM-LBPRGKRZSA-N 1 2 241.338 2.770 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000602448436 349549427 /nfs/dbraw/zinc/54/94/27/349549427.db2.gz UAIDVZNQBQIJJH-VIFPVBQESA-N 1 2 239.269 2.611 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000602448436 349549431 /nfs/dbraw/zinc/54/94/31/349549431.db2.gz UAIDVZNQBQIJJH-VIFPVBQESA-N 1 2 239.269 2.611 20 30 BFEDLO CC[N@@H+](Cc1c(C)cccc1OC)C[C@@H](C)C#N ZINC000602448494 349549596 /nfs/dbraw/zinc/54/95/96/349549596.db2.gz VIUSVLGVKXQRMB-LBPRGKRZSA-N 1 2 246.354 2.985 20 30 BFEDLO CC[N@H+](Cc1c(C)cccc1OC)C[C@@H](C)C#N ZINC000602448494 349549599 /nfs/dbraw/zinc/54/95/99/349549599.db2.gz VIUSVLGVKXQRMB-LBPRGKRZSA-N 1 2 246.354 2.985 20 30 BFEDLO CC[N@@H+](Cc1cnc(C2CC2)o1)C[C@H](C)C#N ZINC000600113924 342671853 /nfs/dbraw/zinc/67/18/53/342671853.db2.gz ZMATZYSIPAYPEX-SNVBAGLBSA-N 1 2 233.315 2.534 20 30 BFEDLO CC[N@H+](Cc1cnc(C2CC2)o1)C[C@H](C)C#N ZINC000600113924 342671854 /nfs/dbraw/zinc/67/18/54/342671854.db2.gz ZMATZYSIPAYPEX-SNVBAGLBSA-N 1 2 233.315 2.534 20 30 BFEDLO CC#CC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000607729559 342783884 /nfs/dbraw/zinc/78/38/84/342783884.db2.gz QJHBRTLKYIDXNE-UHFFFAOYSA-N 1 2 238.334 2.858 20 30 BFEDLO CC#CC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000607729559 342783885 /nfs/dbraw/zinc/78/38/85/342783885.db2.gz QJHBRTLKYIDXNE-UHFFFAOYSA-N 1 2 238.334 2.858 20 30 BFEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(CCCC)[nH+]cn1 ZINC000631291909 342902992 /nfs/dbraw/zinc/90/29/92/342902992.db2.gz CLLGCSNQCIDASD-OLZOCXBDSA-N 1 2 247.342 2.575 20 30 BFEDLO C[C@@H](CCC#N)C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000602663198 349683190 /nfs/dbraw/zinc/68/31/90/349683190.db2.gz KJROXBRPZWZMED-WPRPVWTQSA-N 1 2 234.265 2.857 20 30 BFEDLO COCc1cc[nH+]c(NC[C@@H](C)CCC#N)c1 ZINC000602708846 349701794 /nfs/dbraw/zinc/70/17/94/349701794.db2.gz YLMRLGUVHZTFPW-NSHDSACASA-N 1 2 233.315 2.580 20 30 BFEDLO C=C(C)C[C@@H]([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000602731097 349717217 /nfs/dbraw/zinc/71/72/17/349717217.db2.gz IOZLTQNFLOJLMD-CQSZACIVSA-N 1 2 247.338 2.592 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000298861909 133460343 /nfs/dbraw/zinc/46/03/43/133460343.db2.gz JCHPAKNKUHRFSP-NSHDSACASA-N 1 2 243.734 2.872 20 30 BFEDLO C=CC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000301704001 136265084 /nfs/dbraw/zinc/26/50/84/136265084.db2.gz UWXOIRHOLMMFPQ-UHFFFAOYSA-N 1 2 231.343 2.804 20 30 BFEDLO CC1(C)CCC[N@H+](C[C@H]2CCSC2)[C@@H]1C#N ZINC000336107243 136276110 /nfs/dbraw/zinc/27/61/10/136276110.db2.gz FNYXREYLUHHHMB-VXGBXAGGSA-N 1 2 238.400 2.754 20 30 BFEDLO CC1(C)CCC[N@@H+](C[C@H]2CCSC2)[C@@H]1C#N ZINC000336107243 136276111 /nfs/dbraw/zinc/27/61/11/136276111.db2.gz FNYXREYLUHHHMB-VXGBXAGGSA-N 1 2 238.400 2.754 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000602871246 349802773 /nfs/dbraw/zinc/80/27/73/349802773.db2.gz PBNSSGLKLRCEGP-VIFPVBQESA-N 1 2 233.702 2.603 20 30 BFEDLO COCC1(C/[NH+]=C/c2ccccc2O)CCC1 ZINC000283748120 136287068 /nfs/dbraw/zinc/28/70/68/136287068.db2.gz FQYYTLIHNSZDMI-OQLLNIDSSA-N 1 2 233.311 2.628 20 30 BFEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccon1 ZINC000349194224 136330986 /nfs/dbraw/zinc/33/09/86/136330986.db2.gz CPARZNXUADITSO-SECBINFHSA-N 1 2 245.257 2.536 20 30 BFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccon1 ZINC000349244243 136332709 /nfs/dbraw/zinc/33/27/09/136332709.db2.gz QNKUXIHFVQRYHR-VIFPVBQESA-N 1 2 245.257 2.536 20 30 BFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329310730 136364931 /nfs/dbraw/zinc/36/49/31/136364931.db2.gz ZMAITFLQVQPMSD-VWYCJHECSA-N 1 2 247.342 2.660 20 30 BFEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329310730 136364932 /nfs/dbraw/zinc/36/49/32/136364932.db2.gz ZMAITFLQVQPMSD-VWYCJHECSA-N 1 2 247.342 2.660 20 30 BFEDLO Cc1ccc(NC(=O)[C@H]2C[C@]23CCOC3)c(C)[nH+]1 ZINC000329600578 136366438 /nfs/dbraw/zinc/36/64/38/136366438.db2.gz KESVQAXPHRPCKB-RISCZKNCSA-N 1 2 246.310 2.713 20 30 BFEDLO Cc1cnccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981433 349831064 /nfs/dbraw/zinc/83/10/64/349831064.db2.gz CZKPPLYPHJDNDM-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cnccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981433 349831066 /nfs/dbraw/zinc/83/10/66/349831066.db2.gz CZKPPLYPHJDNDM-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO C[N@H+](Cc1cc(C2CC2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602982667 349834928 /nfs/dbraw/zinc/83/49/28/349834928.db2.gz WLMOROJDNGGKIV-RISCZKNCSA-N 1 2 245.326 2.676 20 30 BFEDLO C[N@@H+](Cc1cc(C2CC2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602982667 349834931 /nfs/dbraw/zinc/83/49/31/349834931.db2.gz WLMOROJDNGGKIV-RISCZKNCSA-N 1 2 245.326 2.676 20 30 BFEDLO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)s1 ZINC000602978136 349842533 /nfs/dbraw/zinc/84/25/33/349842533.db2.gz MEBVFCLDGAAPCO-NEPJUHHUSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nc(C)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)s1 ZINC000602978136 349842535 /nfs/dbraw/zinc/84/25/35/349842535.db2.gz MEBVFCLDGAAPCO-NEPJUHHUSA-N 1 2 249.383 2.884 20 30 BFEDLO CCc1ccc(C[N@H+](CC)C[C@@H](C)C#N)nc1 ZINC000338946436 343692735 /nfs/dbraw/zinc/69/27/35/343692735.db2.gz WKQFOPIGRAJWQP-LBPRGKRZSA-N 1 2 231.343 2.626 20 30 BFEDLO CCc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)nc1 ZINC000338946436 343692740 /nfs/dbraw/zinc/69/27/40/343692740.db2.gz WKQFOPIGRAJWQP-LBPRGKRZSA-N 1 2 231.343 2.626 20 30 BFEDLO Cc1ncccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982754 349835189 /nfs/dbraw/zinc/83/51/89/349835189.db2.gz XSEYCRFGNVTFLB-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ncccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982754 349835193 /nfs/dbraw/zinc/83/51/93/349835193.db2.gz XSEYCRFGNVTFLB-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ncccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982755 349835486 /nfs/dbraw/zinc/83/54/86/349835486.db2.gz XSEYCRFGNVTFLB-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ncccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982755 349835488 /nfs/dbraw/zinc/83/54/88/349835488.db2.gz XSEYCRFGNVTFLB-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c(C)n1 ZINC000602979378 349844084 /nfs/dbraw/zinc/84/40/84/349844084.db2.gz COBSMTJLUHZFPQ-DZGCQCFKSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c(C)n1 ZINC000602979378 349844086 /nfs/dbraw/zinc/84/40/86/349844086.db2.gz COBSMTJLUHZFPQ-DZGCQCFKSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)nc1 ZINC000602980486 349844964 /nfs/dbraw/zinc/84/49/64/349844964.db2.gz QRETYQBRGINWJW-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)nc1 ZINC000602980486 349844970 /nfs/dbraw/zinc/84/49/70/349844970.db2.gz QRETYQBRGINWJW-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CC#N)c1 ZINC000602993311 349848337 /nfs/dbraw/zinc/84/83/37/349848337.db2.gz XHSHXARQNYBIHA-OAHLLOKOSA-N 1 2 228.339 2.916 20 30 BFEDLO Cc1cccc(C[C@@]2(C)CCC[N@H+]2CC#N)c1 ZINC000602993311 349848339 /nfs/dbraw/zinc/84/83/39/349848339.db2.gz XHSHXARQNYBIHA-OAHLLOKOSA-N 1 2 228.339 2.916 20 30 BFEDLO N#CCC[NH+]1CCC(c2ccccc2F)CC1 ZINC000057520660 187273187 /nfs/dbraw/zinc/27/31/87/187273187.db2.gz TVMAEBSYJBZLCW-UHFFFAOYSA-N 1 2 232.302 2.919 20 30 BFEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000617040118 537812394 /nfs/dbraw/zinc/81/23/94/537812394.db2.gz PRSPFUPDSMGNGD-NEPJUHHUSA-N 1 2 247.342 2.583 20 30 BFEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000334661202 343899486 /nfs/dbraw/zinc/89/94/86/343899486.db2.gz KPGWIIKFJVFTDJ-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000334661202 343899487 /nfs/dbraw/zinc/89/94/87/343899487.db2.gz KPGWIIKFJVFTDJ-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000334661200 343899523 /nfs/dbraw/zinc/89/95/23/343899523.db2.gz KPGWIIKFJVFTDJ-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000334661200 343899524 /nfs/dbraw/zinc/89/95/24/343899524.db2.gz KPGWIIKFJVFTDJ-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C=CCSCC/[NH+]=C/c1ccccc1O ZINC000180199243 347017984 /nfs/dbraw/zinc/01/79/84/347017984.db2.gz LWEDCDQSBHMMPL-JLHYYAGUSA-N 1 2 221.325 2.730 20 30 BFEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135185772 343964922 /nfs/dbraw/zinc/96/49/22/343964922.db2.gz WPSXXCVWYYVEMW-MRVPVSSYSA-N 1 2 245.282 2.607 20 30 BFEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CCC#N)s1 ZINC000106876473 347037945 /nfs/dbraw/zinc/03/79/45/347037945.db2.gz HVUHZMZJKXIANT-SECBINFHSA-N 1 2 223.345 2.666 20 30 BFEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCC#N)s1 ZINC000106876473 347037948 /nfs/dbraw/zinc/03/79/48/347037948.db2.gz HVUHZMZJKXIANT-SECBINFHSA-N 1 2 223.345 2.666 20 30 BFEDLO N#CC[N@H+](C1CCCC1)[C@H]1C=CCCC1 ZINC000172571362 344390601 /nfs/dbraw/zinc/39/06/01/344390601.db2.gz HNYPFAHEFIWGIG-LBPRGKRZSA-N 1 2 204.317 2.863 20 30 BFEDLO N#CC[N@@H+](C1CCCC1)[C@H]1C=CCCC1 ZINC000172571362 344390604 /nfs/dbraw/zinc/39/06/04/344390604.db2.gz HNYPFAHEFIWGIG-LBPRGKRZSA-N 1 2 204.317 2.863 20 30 BFEDLO C=CC(C)(C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620652147 344438001 /nfs/dbraw/zinc/43/80/01/344438001.db2.gz XEXZTKXOEHKIQD-UHFFFAOYSA-N 1 2 243.310 2.793 20 30 BFEDLO C=C(CC)C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000678624715 488273665 /nfs/dbraw/zinc/27/36/65/488273665.db2.gz MQOSRMPGXUOIKW-VHSXEESVSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C(CC)C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000678624715 488273668 /nfs/dbraw/zinc/27/36/68/488273668.db2.gz MQOSRMPGXUOIKW-VHSXEESVSA-N 1 2 237.265 2.604 20 30 BFEDLO C#CCCC[NH2+]c1ccc(OC)cc1C ZINC000161057769 345229215 /nfs/dbraw/zinc/22/92/15/345229215.db2.gz PHUICNQQTGXAAP-UHFFFAOYSA-N 1 2 203.285 2.829 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000132275214 345324507 /nfs/dbraw/zinc/32/45/07/345324507.db2.gz ZRYMHSBCXRHNMF-NSHDSACASA-N 1 2 249.333 2.626 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000132275214 345324511 /nfs/dbraw/zinc/32/45/11/345324511.db2.gz ZRYMHSBCXRHNMF-NSHDSACASA-N 1 2 249.333 2.626 20 30 BFEDLO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC#N)c1 ZINC000133628834 345380885 /nfs/dbraw/zinc/38/08/85/345380885.db2.gz JHQGLOBICNNDED-CQSZACIVSA-N 1 2 214.312 2.964 20 30 BFEDLO Cc1ccc(C)c([C@H]2CCC[N@H+]2CC#N)c1 ZINC000133628834 345380887 /nfs/dbraw/zinc/38/08/87/345380887.db2.gz JHQGLOBICNNDED-CQSZACIVSA-N 1 2 214.312 2.964 20 30 BFEDLO C=CC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135866 345510975 /nfs/dbraw/zinc/51/09/75/345510975.db2.gz ISGHRHMRKGWGPR-UHFFFAOYSA-N 1 2 209.239 2.509 20 30 BFEDLO C=CC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084135866 345510976 /nfs/dbraw/zinc/51/09/76/345510976.db2.gz ISGHRHMRKGWGPR-UHFFFAOYSA-N 1 2 209.239 2.509 20 30 BFEDLO CC[N@H+](CCC#N)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081070293 345464785 /nfs/dbraw/zinc/46/47/85/345464785.db2.gz AEPWLTIBCBVGFY-NSHDSACASA-N 1 2 247.298 2.891 20 30 BFEDLO CC[N@@H+](CCC#N)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081070293 345464787 /nfs/dbraw/zinc/46/47/87/345464787.db2.gz AEPWLTIBCBVGFY-NSHDSACASA-N 1 2 247.298 2.891 20 30 BFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC12CCC2 ZINC000081515717 345482685 /nfs/dbraw/zinc/48/26/85/345482685.db2.gz DIJWDVOINVAZSM-UHFFFAOYSA-N 1 2 230.286 2.826 20 30 BFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC12CCC2 ZINC000081515717 345482686 /nfs/dbraw/zinc/48/26/86/345482686.db2.gz DIJWDVOINVAZSM-UHFFFAOYSA-N 1 2 230.286 2.826 20 30 BFEDLO CCc1ncc(C[N@H+](CC)C[C@H](C)C#N)s1 ZINC000091982341 345613470 /nfs/dbraw/zinc/61/34/70/345613470.db2.gz ZKESTBQMQXSSKZ-SNVBAGLBSA-N 1 2 237.372 2.687 20 30 BFEDLO CCc1ncc(C[N@@H+](CC)C[C@H](C)C#N)s1 ZINC000091982341 345613476 /nfs/dbraw/zinc/61/34/76/345613476.db2.gz ZKESTBQMQXSSKZ-SNVBAGLBSA-N 1 2 237.372 2.687 20 30 BFEDLO C=CC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635574951 345833988 /nfs/dbraw/zinc/83/39/88/345833988.db2.gz FVCONJDSXMYAHV-QWHCGFSZSA-N 1 2 249.358 2.551 20 30 BFEDLO C=CC[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635574952 345834249 /nfs/dbraw/zinc/83/42/49/345834249.db2.gz FVCONJDSXMYAHV-STQMWFEESA-N 1 2 249.358 2.551 20 30 BFEDLO C=C(C)C[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000179849402 345921920 /nfs/dbraw/zinc/92/19/20/345921920.db2.gz KQGHVVXOVKQGDF-RYUDHWBXSA-N 1 2 241.375 2.909 20 30 BFEDLO N#C[C@H](Sc1[nH+]cc2ccccn21)C1CC1 ZINC000601072458 346013264 /nfs/dbraw/zinc/01/32/64/346013264.db2.gz KFEKNCYZNOSQFS-NSHDSACASA-N 1 2 229.308 2.729 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000289651852 346219602 /nfs/dbraw/zinc/21/96/02/346219602.db2.gz LONKLSRHGKKRCG-NEPJUHHUSA-N 1 2 217.316 2.733 20 30 BFEDLO C=CCOc1cccc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000641792325 362727475 /nfs/dbraw/zinc/72/74/75/362727475.db2.gz RFCJLQKMOMTNFD-JTQLQIEISA-N 1 2 241.281 2.995 20 30 BFEDLO CCCCc1cc(NCC(C)(C)CC#N)nc[nH+]1 ZINC000601174226 346585125 /nfs/dbraw/zinc/58/51/25/346585125.db2.gz RYVKZPRPSHJPOD-UHFFFAOYSA-N 1 2 246.358 2.593 20 30 BFEDLO C[N@H+](Cc1ccc[nH]1)Cc1cccc(F)c1C#N ZINC000589984894 346759609 /nfs/dbraw/zinc/75/96/09/346759609.db2.gz LFGCSDXOWCQXAB-UHFFFAOYSA-N 1 2 243.285 2.657 20 30 BFEDLO C[N@@H+](Cc1ccc[nH]1)Cc1cccc(F)c1C#N ZINC000589984894 346759613 /nfs/dbraw/zinc/75/96/13/346759613.db2.gz LFGCSDXOWCQXAB-UHFFFAOYSA-N 1 2 243.285 2.657 20 30 BFEDLO C=Cn1cc(C[N@@H+](CCC#N)CCC(C)C)cn1 ZINC000193881313 347407280 /nfs/dbraw/zinc/40/72/80/347407280.db2.gz MXZNFABBKVHQQY-UHFFFAOYSA-N 1 2 246.358 2.745 20 30 BFEDLO C=Cn1cc(C[N@H+](CCC#N)CCC(C)C)cn1 ZINC000193881313 347407282 /nfs/dbraw/zinc/40/72/82/347407282.db2.gz MXZNFABBKVHQQY-UHFFFAOYSA-N 1 2 246.358 2.745 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000590649054 347485390 /nfs/dbraw/zinc/48/53/90/347485390.db2.gz ONTOTRPIHDMVES-QMMMGPOBSA-N 1 2 249.701 2.730 20 30 BFEDLO C[C@@H](F)CC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000334311572 347575585 /nfs/dbraw/zinc/57/55/85/347575585.db2.gz KDNYZBRLFLKFFV-GHMZBOCLSA-N 1 2 212.312 2.749 20 30 BFEDLO C[C@@H](F)CC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000334311572 347575588 /nfs/dbraw/zinc/57/55/88/347575588.db2.gz KDNYZBRLFLKFFV-GHMZBOCLSA-N 1 2 212.312 2.749 20 30 BFEDLO C=CCCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000276300844 166262699 /nfs/dbraw/zinc/26/26/99/166262699.db2.gz LIXAPBKJKPBYEN-UHFFFAOYSA-N 1 2 201.273 2.575 20 30 BFEDLO Cc1cc([NH2+]C[C@@H](C#N)CCC#N)c(C)cc1O ZINC000591777021 347698507 /nfs/dbraw/zinc/69/85/07/347698507.db2.gz SQSNRMQHQMFZDY-GFCCVEGCSA-N 1 2 243.310 2.865 20 30 BFEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000592071816 347728122 /nfs/dbraw/zinc/72/81/22/347728122.db2.gz RWZSQVXRQFXOHZ-INIZCTEOSA-N 1 2 249.317 2.900 20 30 BFEDLO N#Cc1cnccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000592071816 347728124 /nfs/dbraw/zinc/72/81/24/347728124.db2.gz RWZSQVXRQFXOHZ-INIZCTEOSA-N 1 2 249.317 2.900 20 30 BFEDLO CCc1cc[nH+]cc1N[C@H]1CC[C@H](C#N)C1 ZINC000593680438 347932267 /nfs/dbraw/zinc/93/22/67/347932267.db2.gz WFSUQMGLCHJUGD-JQWIXIFHSA-N 1 2 215.300 2.748 20 30 BFEDLO CC[N@H+](CCC#N)CCc1noc2ccccc21 ZINC000593960330 347971915 /nfs/dbraw/zinc/97/19/15/347971915.db2.gz VFXHCDHGXBJIBM-UHFFFAOYSA-N 1 2 243.310 2.606 20 30 BFEDLO CC[N@@H+](CCC#N)CCc1noc2ccccc21 ZINC000593960330 347971919 /nfs/dbraw/zinc/97/19/19/347971919.db2.gz VFXHCDHGXBJIBM-UHFFFAOYSA-N 1 2 243.310 2.606 20 30 BFEDLO CCCOc1ccc(-c2[nH+]ccn2C)cc1C#N ZINC000594629448 348084916 /nfs/dbraw/zinc/08/49/16/348084916.db2.gz NBEBFHYZAXARLW-UHFFFAOYSA-N 1 2 241.294 2.748 20 30 BFEDLO Cn1cc[nH+]c1-c1cccc(C2(C#N)CC2)c1 ZINC000594629396 348084920 /nfs/dbraw/zinc/08/49/20/348084920.db2.gz ITZRRCJLHCNFKZ-UHFFFAOYSA-N 1 2 223.279 2.642 20 30 BFEDLO CC[C@H]1CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595338157 348220731 /nfs/dbraw/zinc/22/07/31/348220731.db2.gz GFIBORJTKJBKHS-GXTWGEPZSA-N 1 2 214.312 2.983 20 30 BFEDLO CC[C@H]1CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595338157 348220732 /nfs/dbraw/zinc/22/07/32/348220732.db2.gz GFIBORJTKJBKHS-GXTWGEPZSA-N 1 2 214.312 2.983 20 30 BFEDLO CC[N@H+](CC1CC1)[C@H](C#N)c1ccccc1 ZINC000595313649 348223820 /nfs/dbraw/zinc/22/38/20/348223820.db2.gz TWIYMJQTXUJOOJ-CQSZACIVSA-N 1 2 214.312 2.983 20 30 BFEDLO CC[N@@H+](CC1CC1)[C@H](C#N)c1ccccc1 ZINC000595313649 348223823 /nfs/dbraw/zinc/22/38/23/348223823.db2.gz TWIYMJQTXUJOOJ-CQSZACIVSA-N 1 2 214.312 2.983 20 30 BFEDLO CO[C@H](C[N@H+](CC#N)C1CCCC1)C1CCC1 ZINC000595329106 348227670 /nfs/dbraw/zinc/22/76/70/348227670.db2.gz NHRCYAKHPPSICB-CQSZACIVSA-N 1 2 236.359 2.570 20 30 BFEDLO CO[C@H](C[N@@H+](CC#N)C1CCCC1)C1CCC1 ZINC000595329106 348227671 /nfs/dbraw/zinc/22/76/71/348227671.db2.gz NHRCYAKHPPSICB-CQSZACIVSA-N 1 2 236.359 2.570 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccn(C)n1 ZINC000595090663 348191263 /nfs/dbraw/zinc/19/12/63/348191263.db2.gz KMDZLMJRDYPMCF-LBPRGKRZSA-N 1 2 246.358 2.545 20 30 BFEDLO Cc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)co1 ZINC000595414677 348241714 /nfs/dbraw/zinc/24/17/14/348241714.db2.gz JJURWHUDBPZLFR-JTQLQIEISA-N 1 2 241.294 2.706 20 30 BFEDLO CC[C@@H](CC(F)F)C[NH+]1CC(C)(C#N)C1 ZINC000595465691 348257618 /nfs/dbraw/zinc/25/76/18/348257618.db2.gz FFWLNSGGZVXYFP-VIFPVBQESA-N 1 2 216.275 2.513 20 30 BFEDLO C[N@H+](CCC#N)CCc1nsc2ccccc21 ZINC000595345764 348235195 /nfs/dbraw/zinc/23/51/95/348235195.db2.gz QZYQYEAFWVLQRG-UHFFFAOYSA-N 1 2 245.351 2.684 20 30 BFEDLO C[N@@H+](CCC#N)CCc1nsc2ccccc21 ZINC000595345764 348235197 /nfs/dbraw/zinc/23/51/97/348235197.db2.gz QZYQYEAFWVLQRG-UHFFFAOYSA-N 1 2 245.351 2.684 20 30 BFEDLO N#CC1(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000595701285 348307621 /nfs/dbraw/zinc/30/76/21/348307621.db2.gz FMCCBDRDZWNHLG-CYBMUJFWSA-N 1 2 230.286 2.876 20 30 BFEDLO N#CC1(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000595701285 348307624 /nfs/dbraw/zinc/30/76/24/348307624.db2.gz FMCCBDRDZWNHLG-CYBMUJFWSA-N 1 2 230.286 2.876 20 30 BFEDLO C[C@H](C#N)[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000595710841 348323293 /nfs/dbraw/zinc/32/32/93/348323293.db2.gz SJDDPYNECZARBG-LPWJVIDDSA-N 1 2 218.344 2.799 20 30 BFEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000595710841 348323294 /nfs/dbraw/zinc/32/32/94/348323294.db2.gz SJDDPYNECZARBG-LPWJVIDDSA-N 1 2 218.344 2.799 20 30 BFEDLO CC[N@H+](CCCC(C)(C)C#N)[C@H](C)C#N ZINC000595814287 348341856 /nfs/dbraw/zinc/34/18/56/348341856.db2.gz SNKSZSRKZCKTHG-LLVKDONJSA-N 1 2 207.321 2.550 20 30 BFEDLO CC[N@@H+](CCCC(C)(C)C#N)[C@H](C)C#N ZINC000595814287 348341859 /nfs/dbraw/zinc/34/18/59/348341859.db2.gz SNKSZSRKZCKTHG-LLVKDONJSA-N 1 2 207.321 2.550 20 30 BFEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836147 348370205 /nfs/dbraw/zinc/37/02/05/348370205.db2.gz WMCFTMISQGIZOF-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO COc1ccc(F)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836147 348370207 /nfs/dbraw/zinc/37/02/07/348370207.db2.gz WMCFTMISQGIZOF-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO N#CCC[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000088116948 362905073 /nfs/dbraw/zinc/90/50/73/362905073.db2.gz UJGUBNHZHPWIMU-QMMMGPOBSA-N 1 2 226.732 2.892 20 30 BFEDLO CC[N@H+](CCCSCC(C)C)[C@@H](C)C#N ZINC000595820042 348360990 /nfs/dbraw/zinc/36/09/90/348360990.db2.gz IHHASEYXEWUIEI-LBPRGKRZSA-N 1 2 228.405 3.000 20 30 BFEDLO CC[N@@H+](CCCSCC(C)C)[C@@H](C)C#N ZINC000595820042 348360994 /nfs/dbraw/zinc/36/09/94/348360994.db2.gz IHHASEYXEWUIEI-LBPRGKRZSA-N 1 2 228.405 3.000 20 30 BFEDLO N#CC[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000596329967 348509401 /nfs/dbraw/zinc/50/94/01/348509401.db2.gz IYKVEDIUJPFVIW-NSHDSACASA-N 1 2 240.310 2.693 20 30 BFEDLO Cc1cc(N2CCC[C@@H](CCF)C2)c(C#N)c[nH+]1 ZINC000596478600 348555686 /nfs/dbraw/zinc/55/56/86/348555686.db2.gz HKTFVTFBSVLMTK-LBPRGKRZSA-N 1 2 247.317 2.838 20 30 BFEDLO COc1ccccc1/C=C/C[NH+]1CC(CC#N)C1 ZINC000597193611 348671222 /nfs/dbraw/zinc/67/12/22/348671222.db2.gz IIRKOLALXYVBGO-GQCTYLIASA-N 1 2 242.322 2.554 20 30 BFEDLO COc1ccccc1/C=C\C[NH+]1CC(CC#N)C1 ZINC000597193612 348671289 /nfs/dbraw/zinc/67/12/89/348671289.db2.gz IIRKOLALXYVBGO-XQRVVYSFSA-N 1 2 242.322 2.554 20 30 BFEDLO N#CCC1C[NH+](Cc2cccc(Cl)c2)C1 ZINC000597193349 348671666 /nfs/dbraw/zinc/67/16/66/348671666.db2.gz QHNSDJZUGIQYMA-UHFFFAOYSA-N 1 2 220.703 2.685 20 30 BFEDLO N#CCC1C[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000597204500 348678354 /nfs/dbraw/zinc/67/83/54/348678354.db2.gz YCCBCWJDSUFMGL-OWOJBTEDSA-N 1 2 248.276 2.823 20 30 BFEDLO CCc1ncc(C[N@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000354025714 348977316 /nfs/dbraw/zinc/97/73/16/348977316.db2.gz IFMICFBCIOMPBF-SNVBAGLBSA-N 1 2 249.383 2.830 20 30 BFEDLO CCc1ncc(C[N@@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000354025714 348977319 /nfs/dbraw/zinc/97/73/19/348977319.db2.gz IFMICFBCIOMPBF-SNVBAGLBSA-N 1 2 249.383 2.830 20 30 BFEDLO C=C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000335270488 350339217 /nfs/dbraw/zinc/33/92/17/350339217.db2.gz LODNOHQCBQAPJJ-UHFFFAOYSA-N 1 2 217.316 2.558 20 30 BFEDLO CC(C)(C#N)CCCC[N@H+](CC#N)C1CC1 ZINC000336666946 350428037 /nfs/dbraw/zinc/42/80/37/350428037.db2.gz MBLSQNSDVKYMCC-UHFFFAOYSA-N 1 2 219.332 2.694 20 30 BFEDLO CC(C)(C#N)CCCC[N@@H+](CC#N)C1CC1 ZINC000336666946 350428039 /nfs/dbraw/zinc/42/80/39/350428039.db2.gz MBLSQNSDVKYMCC-UHFFFAOYSA-N 1 2 219.332 2.694 20 30 BFEDLO Cc1nc(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000336692862 350449488 /nfs/dbraw/zinc/44/94/88/350449488.db2.gz IVPQOYVIXHIYMB-SECBINFHSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nc(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000336692862 350449490 /nfs/dbraw/zinc/44/94/90/350449490.db2.gz IVPQOYVIXHIYMB-SECBINFHSA-N 1 2 249.383 2.884 20 30 BFEDLO COc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1C#N ZINC000563272916 350747929 /nfs/dbraw/zinc/74/79/29/350747929.db2.gz IUUGZTUECRHRIQ-CYBMUJFWSA-N 1 2 248.301 2.501 20 30 BFEDLO COc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1C#N ZINC000563272916 350747933 /nfs/dbraw/zinc/74/79/33/350747933.db2.gz IUUGZTUECRHRIQ-CYBMUJFWSA-N 1 2 248.301 2.501 20 30 BFEDLO C#CCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292574791 351147694 /nfs/dbraw/zinc/14/76/94/351147694.db2.gz BXYDNZJAMZNYIT-LBPRGKRZSA-N 1 2 223.266 2.996 20 30 BFEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1F ZINC000271116793 351402311 /nfs/dbraw/zinc/40/23/11/351402311.db2.gz FTHSIUUWJBQAIR-JTQLQIEISA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1F ZINC000271116793 351402313 /nfs/dbraw/zinc/40/23/13/351402313.db2.gz FTHSIUUWJBQAIR-JTQLQIEISA-N 1 2 220.291 2.726 20 30 BFEDLO C[N@H+](CC#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000272325659 351468667 /nfs/dbraw/zinc/46/86/67/351468667.db2.gz LVHRKHHGAJBIRX-KBPBESRZSA-N 1 2 214.312 2.778 20 30 BFEDLO C[N@@H+](CC#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000272325659 351468669 /nfs/dbraw/zinc/46/86/69/351468669.db2.gz LVHRKHHGAJBIRX-KBPBESRZSA-N 1 2 214.312 2.778 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000272329608 351468708 /nfs/dbraw/zinc/46/87/08/351468708.db2.gz RJYXOFFQMICVEC-QWRGUYRKSA-N 1 2 243.310 2.980 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000272329608 351468712 /nfs/dbraw/zinc/46/87/12/351468712.db2.gz RJYXOFFQMICVEC-QWRGUYRKSA-N 1 2 243.310 2.980 20 30 BFEDLO CC[N@@H+](CC#N)CCCc1cccc(F)c1 ZINC000272373732 351470932 /nfs/dbraw/zinc/47/09/32/351470932.db2.gz UYYXQHRZLODKSJ-UHFFFAOYSA-N 1 2 220.291 2.604 20 30 BFEDLO CC[N@H+](CC#N)CCCc1cccc(F)c1 ZINC000272373732 351470937 /nfs/dbraw/zinc/47/09/37/351470937.db2.gz UYYXQHRZLODKSJ-UHFFFAOYSA-N 1 2 220.291 2.604 20 30 BFEDLO CC1(C#N)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000272588657 351486559 /nfs/dbraw/zinc/48/65/59/351486559.db2.gz ZNNODUUKUILWGM-UHFFFAOYSA-N 1 2 240.310 2.693 20 30 BFEDLO CC(C)(C#N)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405079666 351604467 /nfs/dbraw/zinc/60/44/67/351604467.db2.gz OWGQOCZDPJQVHT-UHFFFAOYSA-N 1 2 239.322 2.814 20 30 BFEDLO CC(C)(C#N)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405079666 351604473 /nfs/dbraw/zinc/60/44/73/351604473.db2.gz OWGQOCZDPJQVHT-UHFFFAOYSA-N 1 2 239.322 2.814 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccnn1CC1CCC1 ZINC000637832610 351682018 /nfs/dbraw/zinc/68/20/18/351682018.db2.gz KIXBQFFYDJLBIG-UHFFFAOYSA-N 1 2 245.370 2.857 20 30 BFEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1C ZINC000278236190 351752313 /nfs/dbraw/zinc/75/23/13/351752313.db2.gz NHJAHTCYLWPWQZ-LLVKDONJSA-N 1 2 232.327 2.595 20 30 BFEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1C ZINC000278236190 351752315 /nfs/dbraw/zinc/75/23/15/351752315.db2.gz NHJAHTCYLWPWQZ-LLVKDONJSA-N 1 2 232.327 2.595 20 30 BFEDLO NC(=[NH+]OC1CCC1)c1cccc(Cl)c1 ZINC000278692284 351777054 /nfs/dbraw/zinc/77/70/54/351777054.db2.gz MEDPOSTYQJPDAG-UHFFFAOYSA-N 1 2 224.691 2.529 20 30 BFEDLO C=C(C)[C@H]1OCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000281985505 351919164 /nfs/dbraw/zinc/91/91/64/351919164.db2.gz ZLVYNDQUIXPCKU-FMVCGGQUSA-N 1 2 245.322 2.792 20 30 BFEDLO 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/nfs/dbraw/zinc/49/69/22/384496922.db2.gz JRXPJNJHNQMGHJ-UHFFFAOYSA-N 1 2 218.275 2.704 20 30 BFEDLO N#CCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000048580694 384496933 /nfs/dbraw/zinc/49/69/33/384496933.db2.gz JRXPJNJHNQMGHJ-UHFFFAOYSA-N 1 2 218.275 2.704 20 30 BFEDLO C[C@H](c1ccccc1F)[N@H+](C)CCC#N ZINC000051407428 384513031 /nfs/dbraw/zinc/51/30/31/384513031.db2.gz ZZFRYTFTTFKWNN-SNVBAGLBSA-N 1 2 206.264 2.732 20 30 BFEDLO C[C@H](c1ccccc1F)[N@@H+](C)CCC#N ZINC000051407428 384513035 /nfs/dbraw/zinc/51/30/35/384513035.db2.gz ZZFRYTFTTFKWNN-SNVBAGLBSA-N 1 2 206.264 2.732 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000161932281 384543990 /nfs/dbraw/zinc/54/39/90/384543990.db2.gz YVGXARIADQZQQK-GFCCVEGCSA-N 1 2 246.741 2.925 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000161932281 384543997 /nfs/dbraw/zinc/54/39/97/384543997.db2.gz YVGXARIADQZQQK-GFCCVEGCSA-N 1 2 246.741 2.925 20 30 BFEDLO Cc1ccc(C[N@H+](C)CCC#N)c(C)c1 ZINC000102674372 384576003 /nfs/dbraw/zinc/57/60/03/384576003.db2.gz VYQUSBSBLUQBFR-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO Cc1ccc(C[N@@H+](C)CCC#N)c(C)c1 ZINC000102674372 384576011 /nfs/dbraw/zinc/57/60/11/384576011.db2.gz VYQUSBSBLUQBFR-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO CC#CC[NH2+]C1(C(F)F)CCCCC1 ZINC000306441280 384726033 /nfs/dbraw/zinc/72/60/33/384726033.db2.gz JBKORSLABBUUDN-UHFFFAOYSA-N 1 2 201.260 2.567 20 30 BFEDLO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000162758959 384681694 /nfs/dbraw/zinc/68/16/94/384681694.db2.gz NVJGLALATARDTL-JTQLQIEISA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000162758959 384681699 /nfs/dbraw/zinc/68/16/99/384681699.db2.gz NVJGLALATARDTL-JTQLQIEISA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1ccc(NC(=O)NCCCCC#N)c(C)[nH+]1 ZINC000176761555 384775976 /nfs/dbraw/zinc/77/59/76/384775976.db2.gz CFSCEZNRYWVEFW-UHFFFAOYSA-N 1 2 246.314 2.514 20 30 BFEDLO CSCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000174838317 384843540 /nfs/dbraw/zinc/84/35/40/384843540.db2.gz QKWLFOYLHHJCIV-UHFFFAOYSA-N 1 2 249.383 2.550 20 30 BFEDLO CSCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000174838317 384843547 /nfs/dbraw/zinc/84/35/47/384843547.db2.gz QKWLFOYLHHJCIV-UHFFFAOYSA-N 1 2 249.383 2.550 20 30 BFEDLO C=CCCC[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000302003692 384950108 /nfs/dbraw/zinc/95/01/08/384950108.db2.gz JYMWLDTYPKGJOR-JTQLQIEISA-N 1 2 205.305 2.942 20 30 BFEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(C2CC2)no1 ZINC000297741818 384905169 /nfs/dbraw/zinc/90/51/69/384905169.db2.gz DBSRRMJYZKRXCJ-JTQLQIEISA-N 1 2 233.315 2.682 20 30 BFEDLO C=CC[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000302150335 384974524 /nfs/dbraw/zinc/97/45/24/384974524.db2.gz SZWYFRNPHZONNN-LBPRGKRZSA-N 1 2 228.295 2.584 20 30 BFEDLO C=CCC(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297886237 384983386 /nfs/dbraw/zinc/98/33/86/384983386.db2.gz VFKKDQAXTWZAOP-UHFFFAOYSA-N 1 2 243.310 2.875 20 30 BFEDLO N#CCC[N@@H+](Cc1cccc(Cl)n1)CC1CC1 ZINC000176253964 385049380 /nfs/dbraw/zinc/04/93/80/385049380.db2.gz OJTYLXPGSLPZCM-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CCC[N@H+](Cc1cccc(Cl)n1)CC1CC1 ZINC000176253964 385049386 /nfs/dbraw/zinc/04/93/86/385049386.db2.gz OJTYLXPGSLPZCM-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO CC1(C#N)C[NH+]([C@H]2CCCc3ccccc32)C1 ZINC000559636030 385089229 /nfs/dbraw/zinc/08/92/29/385089229.db2.gz FLFYSVQQKGENEJ-AWEZNQCLSA-N 1 2 226.323 2.909 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000063087439 385206861 /nfs/dbraw/zinc/20/68/61/385206861.db2.gz PUXOUJVOSKXBHE-NSHDSACASA-N 1 2 248.301 2.632 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000063087439 385206867 /nfs/dbraw/zinc/20/68/67/385206867.db2.gz PUXOUJVOSKXBHE-NSHDSACASA-N 1 2 248.301 2.632 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000063087440 385208935 /nfs/dbraw/zinc/20/89/35/385208935.db2.gz PUXOUJVOSKXBHE-LLVKDONJSA-N 1 2 248.301 2.632 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000063087440 385208948 /nfs/dbraw/zinc/20/89/48/385208948.db2.gz PUXOUJVOSKXBHE-LLVKDONJSA-N 1 2 248.301 2.632 20 30 BFEDLO C=CCN(c1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000357200406 385263918 /nfs/dbraw/zinc/26/39/18/385263918.db2.gz FHANXMMAXVLXDG-UHFFFAOYSA-N 1 2 217.316 2.755 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448275386 385269993 /nfs/dbraw/zinc/26/99/93/385269993.db2.gz JMIRVIVSJCYHMO-APIJFGDWSA-N 1 2 248.370 2.570 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448275386 385270000 /nfs/dbraw/zinc/27/00/00/385270000.db2.gz JMIRVIVSJCYHMO-APIJFGDWSA-N 1 2 248.370 2.570 20 30 BFEDLO C[C@@H](C#N)CNc1cc[nH+]c2ccccc12 ZINC000181125704 385399801 /nfs/dbraw/zinc/39/98/01/385399801.db2.gz ZCLNSXCKRPERQH-JTQLQIEISA-N 1 2 211.268 2.806 20 30 BFEDLO C[C@H]([NH2+]CCC#N)c1ccccc1Cl ZINC000020199542 385422801 /nfs/dbraw/zinc/42/28/01/385422801.db2.gz DCPHODNPKRVXTB-VIFPVBQESA-N 1 2 208.692 2.904 20 30 BFEDLO CC(C)(C)C[C@H](O)C/[NH+]=C/c1ccccc1O ZINC000172156732 385553447 /nfs/dbraw/zinc/55/34/47/385553447.db2.gz AYBAFKUPNXBAHD-DGGAMASNSA-N 1 2 235.327 2.608 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccncc1Cl ZINC000580325023 385628171 /nfs/dbraw/zinc/62/81/71/385628171.db2.gz JMLCWRMQJZOZIF-SNVBAGLBSA-N 1 2 223.707 2.517 20 30 BFEDLO CC[N@H+](CCCc1ccsc1)[C@H](C)C#N ZINC000595821672 385638811 /nfs/dbraw/zinc/63/88/11/385638811.db2.gz YWBBVEUJSHIUBI-LLVKDONJSA-N 1 2 222.357 2.915 20 30 BFEDLO CC[N@@H+](CCCc1ccsc1)[C@H](C)C#N ZINC000595821672 385638818 /nfs/dbraw/zinc/63/88/18/385638818.db2.gz YWBBVEUJSHIUBI-LLVKDONJSA-N 1 2 222.357 2.915 20 30 BFEDLO CCCC[N@H+](CC#N)Cc1ccccc1O ZINC000282392472 385757928 /nfs/dbraw/zinc/75/79/28/385757928.db2.gz GZAIJMSEKMQVOA-UHFFFAOYSA-N 1 2 218.300 2.518 20 30 BFEDLO Cc1cc(C)c(C[N@@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000602772560 385820157 /nfs/dbraw/zinc/82/01/57/385820157.db2.gz SZCYTRBIMKWEQZ-JTQLQIEISA-N 1 2 231.343 2.598 20 30 BFEDLO Cc1cc(C)c(C[N@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000602772560 385820160 /nfs/dbraw/zinc/82/01/60/385820160.db2.gz SZCYTRBIMKWEQZ-JTQLQIEISA-N 1 2 231.343 2.598 20 30 BFEDLO CC1=C(c2ccco2)C[N@H+](CCC#N)CC1 ZINC000335067923 386012430 /nfs/dbraw/zinc/01/24/30/386012430.db2.gz LDWJNRIHOUVPTC-UHFFFAOYSA-N 1 2 216.284 2.672 20 30 BFEDLO CC1=C(c2ccco2)C[N@@H+](CCC#N)CC1 ZINC000335067923 386012436 /nfs/dbraw/zinc/01/24/36/386012436.db2.gz LDWJNRIHOUVPTC-UHFFFAOYSA-N 1 2 216.284 2.672 20 30 BFEDLO CC1(C)C[N@H+](CCC#N)Cc2ccccc21 ZINC000334459692 386111033 /nfs/dbraw/zinc/11/10/33/386111033.db2.gz MDRWPRSKOBIHHR-UHFFFAOYSA-N 1 2 214.312 2.693 20 30 BFEDLO CC1(C)C[N@@H+](CCC#N)Cc2ccccc21 ZINC000334459692 386111043 /nfs/dbraw/zinc/11/10/43/386111043.db2.gz MDRWPRSKOBIHHR-UHFFFAOYSA-N 1 2 214.312 2.693 20 30 BFEDLO Cc1ccc(C[N@@H+](CCC#N)CCC(C)C)nn1 ZINC000414388003 386243092 /nfs/dbraw/zinc/24/30/92/386243092.db2.gz ZMWYQCIDZZLMNM-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO Cc1ccc(C[N@H+](CCC#N)CCC(C)C)nn1 ZINC000414388003 386243097 /nfs/dbraw/zinc/24/30/97/386243097.db2.gz ZMWYQCIDZZLMNM-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO COc1cc(C[N@@H+]2CCC[C@@H](F)C2)ccc1C#N ZINC000572608510 386307718 /nfs/dbraw/zinc/30/77/18/386307718.db2.gz GUWHBTBIHOPHEE-CYBMUJFWSA-N 1 2 248.301 2.501 20 30 BFEDLO COc1cc(C[N@H+]2CCC[C@@H](F)C2)ccc1C#N ZINC000572608510 386307724 /nfs/dbraw/zinc/30/77/24/386307724.db2.gz GUWHBTBIHOPHEE-CYBMUJFWSA-N 1 2 248.301 2.501 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000181257977 386340644 /nfs/dbraw/zinc/34/06/44/386340644.db2.gz WUZCBTXKGNCICI-UHFFFAOYSA-N 1 2 249.339 2.806 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000181257977 386340652 /nfs/dbraw/zinc/34/06/52/386340652.db2.gz WUZCBTXKGNCICI-UHFFFAOYSA-N 1 2 249.339 2.806 20 30 BFEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)CCC#N ZINC000347531710 386441071 /nfs/dbraw/zinc/44/10/71/386441071.db2.gz CCGSOSVCRGOWEO-ZDUSSCGKSA-N 1 2 232.327 2.992 20 30 BFEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCC#N ZINC000347531710 386441073 /nfs/dbraw/zinc/44/10/73/386441073.db2.gz CCGSOSVCRGOWEO-ZDUSSCGKSA-N 1 2 232.327 2.992 20 30 BFEDLO CC(C)(C)c1cnc(C[NH2+]CC2(C#N)CC2)s1 ZINC000519617253 386509968 /nfs/dbraw/zinc/50/99/68/386509968.db2.gz GUSUMADZIRYVJM-UHFFFAOYSA-N 1 2 249.383 2.834 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)cs1 ZINC000278431311 386525105 /nfs/dbraw/zinc/52/51/05/386525105.db2.gz KBGMJBHMQKBCMN-MRVPVSSYSA-N 1 2 228.748 2.993 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)cs1 ZINC000278431311 386525113 /nfs/dbraw/zinc/52/51/13/386525113.db2.gz KBGMJBHMQKBCMN-MRVPVSSYSA-N 1 2 228.748 2.993 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ccn(C(CC)CC)n1 ZINC000292984923 386647159 /nfs/dbraw/zinc/64/71/59/386647159.db2.gz BPSDQXVOOULAJQ-UHFFFAOYSA-N 1 2 233.359 2.699 20 30 BFEDLO CC#CC[N@H+](C)Cc1ccn(C(CC)CC)n1 ZINC000292984923 386647165 /nfs/dbraw/zinc/64/71/65/386647165.db2.gz BPSDQXVOOULAJQ-UHFFFAOYSA-N 1 2 233.359 2.699 20 30 BFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000335495463 386615935 /nfs/dbraw/zinc/61/59/35/386615935.db2.gz JLPMKDRIQSTWQA-GHMZBOCLSA-N 1 2 247.342 2.607 20 30 BFEDLO C=CCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000425585386 386657914 /nfs/dbraw/zinc/65/79/14/386657914.db2.gz HRSPOQXEISKRDC-UHFFFAOYSA-N 1 2 218.300 2.993 20 30 BFEDLO Cc1cc(NC(=O)NCC2CCCCC2)cc[nH+]1 ZINC000330602071 386807971 /nfs/dbraw/zinc/80/79/71/386807971.db2.gz ZYKJCYGMSVPJBE-UHFFFAOYSA-N 1 2 247.342 2.718 20 30 BFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000330803552 386893097 /nfs/dbraw/zinc/89/30/97/386893097.db2.gz BIMVNXVAPKYMSQ-XQQFMLRXSA-N 1 2 243.310 2.545 20 30 BFEDLO Cc1cc(N[C@@H]2CCCC[C@H]2C)c(C#N)c[nH+]1 ZINC000399528319 386956909 /nfs/dbraw/zinc/95/69/09/386956909.db2.gz TXJZOUAQSUPEGD-ZWNOBZJWSA-N 1 2 229.327 2.674 20 30 BFEDLO Cc1cc(N2CC[C@@H](C)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399437040 387097629 /nfs/dbraw/zinc/09/76/29/387097629.db2.gz NHQJLUYMELHEND-GHMZBOCLSA-N 1 2 229.327 2.744 20 30 BFEDLO CC1(C#N)C[NH+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000334950470 387114068 /nfs/dbraw/zinc/11/40/68/387114068.db2.gz FVSGCIZPSVAATH-ZIAGYGMSSA-N 1 2 226.323 2.636 20 30 BFEDLO CC1(C#N)C[NH+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000334950469 387114944 /nfs/dbraw/zinc/11/49/44/387114944.db2.gz FVSGCIZPSVAATH-UONOGXRCSA-N 1 2 226.323 2.636 20 30 BFEDLO CC[C@H](CC#N)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000515310837 387359767 /nfs/dbraw/zinc/35/97/67/387359767.db2.gz XOSXOZLTNOBHGE-CQSZACIVSA-N 1 2 246.741 2.973 20 30 BFEDLO C=C1CC[NH+](Cc2cn3c(cccc3C)n2)CC1 ZINC000264451065 387391021 /nfs/dbraw/zinc/39/10/21/387391021.db2.gz ICWDYZPFTASFDL-UHFFFAOYSA-N 1 2 241.338 2.795 20 30 BFEDLO C=C1CC[NH+]([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000265492087 387398168 /nfs/dbraw/zinc/39/81/68/387398168.db2.gz WBOYQQYRPXAKMY-CQSZACIVSA-N 1 2 245.322 2.553 20 30 BFEDLO CC[N@@H+](Cc1c(C)nsc1C)C[C@H](C)C#N ZINC000516310351 387493752 /nfs/dbraw/zinc/49/37/52/387493752.db2.gz QTSUMRQSOAWVKP-SECBINFHSA-N 1 2 237.372 2.742 20 30 BFEDLO CC[N@H+](Cc1c(C)nsc1C)C[C@H](C)C#N ZINC000516310351 387493756 /nfs/dbraw/zinc/49/37/56/387493756.db2.gz QTSUMRQSOAWVKP-SECBINFHSA-N 1 2 237.372 2.742 20 30 BFEDLO C#CC[N@@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000274872223 387494623 /nfs/dbraw/zinc/49/46/23/387494623.db2.gz XPBJVVBBTVRHAV-UHFFFAOYSA-N 1 2 244.725 2.809 20 30 BFEDLO C#CC[N@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000274872223 387494626 /nfs/dbraw/zinc/49/46/26/387494626.db2.gz XPBJVVBBTVRHAV-UHFFFAOYSA-N 1 2 244.725 2.809 20 30 BFEDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)o1 ZINC000352840292 387516595 /nfs/dbraw/zinc/51/65/95/387516595.db2.gz NAFPFWDENWNFIO-VIFPVBQESA-N 1 2 247.323 2.767 20 30 BFEDLO Cc1cnccc1C[N@@H+](CCC#N)C(C)C ZINC000516537805 387520853 /nfs/dbraw/zinc/52/08/53/387520853.db2.gz RHXFFLOTGAKPJX-UHFFFAOYSA-N 1 2 217.316 2.514 20 30 BFEDLO Cc1cnccc1C[N@H+](CCC#N)C(C)C ZINC000516537805 387520859 /nfs/dbraw/zinc/52/08/59/387520859.db2.gz RHXFFLOTGAKPJX-UHFFFAOYSA-N 1 2 217.316 2.514 20 30 BFEDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(C#N)cn1 ZINC000295283942 387843015 /nfs/dbraw/zinc/84/30/15/387843015.db2.gz IUCOMYNGQBIZRB-UHFFFAOYSA-N 1 2 240.310 2.630 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442813560 387845754 /nfs/dbraw/zinc/84/57/54/387845754.db2.gz SSAOSUFWIPTCAL-QWRGUYRKSA-N 1 2 235.331 2.579 20 30 BFEDLO COCCCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444714314 387908402 /nfs/dbraw/zinc/90/84/02/387908402.db2.gz AEHAGPMSDJZVPL-CYBMUJFWSA-N 1 2 238.375 2.817 20 30 BFEDLO COCCCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444714314 387908406 /nfs/dbraw/zinc/90/84/06/387908406.db2.gz AEHAGPMSDJZVPL-CYBMUJFWSA-N 1 2 238.375 2.817 20 30 BFEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)o1 ZINC000160854277 387982564 /nfs/dbraw/zinc/98/25/64/387982564.db2.gz VDQDBIBCIVMFFC-UHFFFAOYSA-N 1 2 230.267 2.685 20 30 BFEDLO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)o2)o1 ZINC000160854277 387982569 /nfs/dbraw/zinc/98/25/69/387982569.db2.gz VDQDBIBCIVMFFC-UHFFFAOYSA-N 1 2 230.267 2.685 20 30 BFEDLO C=CC[C@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000440641874 388063509 /nfs/dbraw/zinc/06/35/09/388063509.db2.gz BUGKIBXNOYCPRW-LBPRGKRZSA-N 1 2 231.343 2.851 20 30 BFEDLO CC[C@H]1CCC[C@H](C[N@@H+](CC#N)CCOC)C1 ZINC000453594731 388088192 /nfs/dbraw/zinc/08/81/92/388088192.db2.gz FPYNQGYRCCEBPG-KBPBESRZSA-N 1 2 238.375 2.675 20 30 BFEDLO CC[C@H]1CCC[C@H](C[N@H+](CC#N)CCOC)C1 ZINC000453594731 388088196 /nfs/dbraw/zinc/08/81/96/388088196.db2.gz FPYNQGYRCCEBPG-KBPBESRZSA-N 1 2 238.375 2.675 20 30 BFEDLO C=C(CC)C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000453337914 388050429 /nfs/dbraw/zinc/05/04/29/388050429.db2.gz ASECYWXAQZSYSZ-CYBMUJFWSA-N 1 2 248.374 2.982 20 30 BFEDLO C=C(CC)C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000453337916 388050584 /nfs/dbraw/zinc/05/05/84/388050584.db2.gz ASECYWXAQZSYSZ-ZDUSSCGKSA-N 1 2 248.374 2.982 20 30 BFEDLO C=CCOc1cccc(C[NH2+]C(CF)CF)c1 ZINC000449373221 388185331 /nfs/dbraw/zinc/18/53/31/388185331.db2.gz PTCRRQRMXYLWSH-UHFFFAOYSA-N 1 2 241.281 2.649 20 30 BFEDLO C=CCOc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449374329 388186249 /nfs/dbraw/zinc/18/62/49/388186249.db2.gz YHOYPJKBIGIPKN-UHFFFAOYSA-N 1 2 241.281 2.649 20 30 BFEDLO C=CCC[C@H]([NH2+]Cc1ccccc1)C(=O)OCC ZINC000449653320 388248531 /nfs/dbraw/zinc/24/85/31/388248531.db2.gz BYCPKIDJQUZWKS-AWEZNQCLSA-N 1 2 247.338 2.674 20 30 BFEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456337680 388195638 /nfs/dbraw/zinc/19/56/38/388195638.db2.gz BHRFZWINMILLCU-SMDDNHRTSA-N 1 2 249.358 2.683 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456372417 388197405 /nfs/dbraw/zinc/19/74/05/388197405.db2.gz YZFIMVHSAFMZKD-RYUDHWBXSA-N 1 2 249.358 2.683 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456440983 388201952 /nfs/dbraw/zinc/20/19/52/388201952.db2.gz YURUTQXXSYUUGH-TUAOUCFPSA-N 1 2 247.342 2.607 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000489391398 388210601 /nfs/dbraw/zinc/21/06/01/388210601.db2.gz ABJPEMSQRAJHOX-JTQLQIEISA-N 1 2 241.285 2.819 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000489391398 388210602 /nfs/dbraw/zinc/21/06/02/388210602.db2.gz ABJPEMSQRAJHOX-JTQLQIEISA-N 1 2 241.285 2.819 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000490594682 388241407 /nfs/dbraw/zinc/24/14/07/388241407.db2.gz UWFGYPFEXHBOPZ-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO C#CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000490594682 388241409 /nfs/dbraw/zinc/24/14/09/388241409.db2.gz UWFGYPFEXHBOPZ-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO C#C[C@H]([NH2+]Cc1cncs1)c1ccc(F)cc1 ZINC000491429744 388294291 /nfs/dbraw/zinc/29/42/91/388294291.db2.gz VOAIHDCKWKZZEW-ZDUSSCGKSA-N 1 2 246.310 2.746 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1cccc(F)c1C#N ZINC000491565574 388303851 /nfs/dbraw/zinc/30/38/51/388303851.db2.gz AJSCJHWVXTVJRL-UHFFFAOYSA-N 1 2 230.286 2.541 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000491565574 388303852 /nfs/dbraw/zinc/30/38/52/388303852.db2.gz AJSCJHWVXTVJRL-UHFFFAOYSA-N 1 2 230.286 2.541 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(C(C)C)s1 ZINC000491628686 388306195 /nfs/dbraw/zinc/30/61/95/388306195.db2.gz NVQRTSGFZAKMPO-JTQLQIEISA-N 1 2 222.357 2.720 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000491628686 388306196 /nfs/dbraw/zinc/30/61/96/388306196.db2.gz NVQRTSGFZAKMPO-JTQLQIEISA-N 1 2 222.357 2.720 20 30 BFEDLO C#CC[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000491651528 388307989 /nfs/dbraw/zinc/30/79/89/388307989.db2.gz HMNSUKDIIUNCBB-UHFFFAOYSA-N 1 2 244.725 2.809 20 30 BFEDLO C#CC[N@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000491651528 388307990 /nfs/dbraw/zinc/30/79/90/388307990.db2.gz HMNSUKDIIUNCBB-UHFFFAOYSA-N 1 2 244.725 2.809 20 30 BFEDLO C#C[C@H]([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000491692775 388311500 /nfs/dbraw/zinc/31/15/00/388311500.db2.gz SAEJRDRRIBDHTL-AWEZNQCLSA-N 1 2 229.254 2.883 20 30 BFEDLO C#CC[N@@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000491702905 388312958 /nfs/dbraw/zinc/31/29/58/388312958.db2.gz IWKFSVXTJUKEAE-UHFFFAOYSA-N 1 2 240.306 2.715 20 30 BFEDLO C#CC[N@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000491702905 388312959 /nfs/dbraw/zinc/31/29/59/388312959.db2.gz IWKFSVXTJUKEAE-UHFFFAOYSA-N 1 2 240.306 2.715 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000491071272 388267572 /nfs/dbraw/zinc/26/75/72/388267572.db2.gz IXWLBTGRWPTVNF-LBPRGKRZSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000491071272 388267574 /nfs/dbraw/zinc/26/75/74/388267574.db2.gz IXWLBTGRWPTVNF-LBPRGKRZSA-N 1 2 240.306 2.795 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1cc(F)ccc1F ZINC000164676454 388395770 /nfs/dbraw/zinc/39/57/70/388395770.db2.gz MNORAGWCSIJDAX-UHFFFAOYSA-N 1 2 224.254 2.604 20 30 BFEDLO COCC[N@H+](CC#N)C[C@H]1CCCC(C)(C)C1 ZINC000573061557 388415249 /nfs/dbraw/zinc/41/52/49/388415249.db2.gz JWOBRYMPAMBMHU-ZDUSSCGKSA-N 1 2 238.375 2.675 20 30 BFEDLO COCC[N@@H+](CC#N)C[C@H]1CCCC(C)(C)C1 ZINC000573061557 388415251 /nfs/dbraw/zinc/41/52/51/388415251.db2.gz JWOBRYMPAMBMHU-ZDUSSCGKSA-N 1 2 238.375 2.675 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1ncccc1Cl ZINC000528442030 388526191 /nfs/dbraw/zinc/52/61/91/388526191.db2.gz WGKVQDUEQIKZBU-UHFFFAOYSA-N 1 2 210.708 2.743 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1ncccc1Cl ZINC000528442030 388526193 /nfs/dbraw/zinc/52/61/93/388526193.db2.gz WGKVQDUEQIKZBU-UHFFFAOYSA-N 1 2 210.708 2.743 20 30 BFEDLO C=CCC(C)(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000551898049 388645197 /nfs/dbraw/zinc/64/51/97/388645197.db2.gz SXRVIJNATCVJCZ-UHFFFAOYSA-N 1 2 232.327 2.661 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000251747360 388753062 /nfs/dbraw/zinc/75/30/62/388753062.db2.gz DAUSLVUNLPQLAL-FOGDFJRCSA-N 1 2 218.300 2.652 20 30 BFEDLO CCC[C@@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000131776515 388754373 /nfs/dbraw/zinc/75/43/73/388754373.db2.gz BFEVQYHUEBKJCK-OAHLLOKOSA-N 1 2 244.338 2.559 20 30 BFEDLO CCC[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000131776515 388754378 /nfs/dbraw/zinc/75/43/78/388754378.db2.gz BFEVQYHUEBKJCK-OAHLLOKOSA-N 1 2 244.338 2.559 20 30 BFEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)[C@@H]1C ZINC000091860377 388732049 /nfs/dbraw/zinc/73/20/49/388732049.db2.gz OUCHEJBTZRLLID-NXEZZACHSA-N 1 2 220.341 2.850 20 30 BFEDLO C[C@H]([N@H+](C)Cc1ccc(C#N)o1)C1(C)CC1 ZINC000091900694 388732422 /nfs/dbraw/zinc/73/24/22/388732422.db2.gz JEHVSUXIZICEMS-JTQLQIEISA-N 1 2 218.300 2.772 20 30 BFEDLO C[C@H]([N@@H+](C)Cc1ccc(C#N)o1)C1(C)CC1 ZINC000091900694 388732423 /nfs/dbraw/zinc/73/24/23/388732423.db2.gz JEHVSUXIZICEMS-JTQLQIEISA-N 1 2 218.300 2.772 20 30 BFEDLO COc1cc(C[N@@H+]2CCC=C(F)C2)ccc1C#N ZINC000282154446 388812305 /nfs/dbraw/zinc/81/23/05/388812305.db2.gz CZBUPUXZOJEFKT-UHFFFAOYSA-N 1 2 246.285 2.626 20 30 BFEDLO COc1cc(C[N@H+]2CCC=C(F)C2)ccc1C#N ZINC000282154446 388812309 /nfs/dbraw/zinc/81/23/09/388812309.db2.gz CZBUPUXZOJEFKT-UHFFFAOYSA-N 1 2 246.285 2.626 20 30 BFEDLO C=CCN(CC=C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000351921804 134006544 /nfs/dbraw/zinc/00/65/44/134006544.db2.gz ASIOMONAMDMZDL-UHFFFAOYSA-N 1 2 245.326 2.904 20 30 BFEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC1(C#N)CC1 ZINC000335976025 134031243 /nfs/dbraw/zinc/03/12/43/134031243.db2.gz XUDMHZKWPXSYBA-GFCCVEGCSA-N 1 2 242.322 2.573 20 30 BFEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC1(C#N)CC1 ZINC000335976025 134031244 /nfs/dbraw/zinc/03/12/44/134031244.db2.gz XUDMHZKWPXSYBA-GFCCVEGCSA-N 1 2 242.322 2.573 20 30 BFEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC#N)[C@H]2C ZINC000335977037 134031816 /nfs/dbraw/zinc/03/18/16/134031816.db2.gz GXDYSAYYNLECPL-NEPJUHHUSA-N 1 2 244.338 2.916 20 30 BFEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC#N)[C@H]2C ZINC000335977037 134031817 /nfs/dbraw/zinc/03/18/17/134031817.db2.gz GXDYSAYYNLECPL-NEPJUHHUSA-N 1 2 244.338 2.916 20 30 BFEDLO C=C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000336109966 134085674 /nfs/dbraw/zinc/08/56/74/134085674.db2.gz RZQKMKVVOJWSNV-UHFFFAOYSA-N 1 2 230.286 2.849 20 30 BFEDLO Cc1cc(N2CCC(C#N)CC2)nc(C(C)C)[nH+]1 ZINC000352431556 134144944 /nfs/dbraw/zinc/14/49/44/134144944.db2.gz ODOIQLWSJSZKQP-UHFFFAOYSA-N 1 2 244.342 2.648 20 30 BFEDLO CCc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000354033154 134165962 /nfs/dbraw/zinc/16/59/62/134165962.db2.gz ITBXIGGWENKQDI-LLVKDONJSA-N 1 2 232.327 2.966 20 30 BFEDLO CCc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000354033154 134165963 /nfs/dbraw/zinc/16/59/63/134165963.db2.gz ITBXIGGWENKQDI-LLVKDONJSA-N 1 2 232.327 2.966 20 30 BFEDLO Cc1ncccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354025619 134166028 /nfs/dbraw/zinc/16/60/28/134166028.db2.gz GTZVQSMOYPJAAX-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ncccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354025619 134166029 /nfs/dbraw/zinc/16/60/29/134166029.db2.gz GTZVQSMOYPJAAX-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)C#N ZINC000354042678 134166375 /nfs/dbraw/zinc/16/63/75/134166375.db2.gz WPIFIYKDXKOXMU-UHFFFAOYSA-N 1 2 247.298 2.576 20 30 BFEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)C#N ZINC000354042678 134166376 /nfs/dbraw/zinc/16/63/76/134166376.db2.gz WPIFIYKDXKOXMU-UHFFFAOYSA-N 1 2 247.298 2.576 20 30 BFEDLO CCc1ncc(C[N@H+](C)CC(C)(C)C#N)s1 ZINC000354040981 134166654 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325225229 /nfs/dbraw/zinc/22/52/29/325225229.db2.gz NSKFKNGPWUXVSG-UHFFFAOYSA-N 1 2 228.339 2.637 20 30 BFEDLO CC#CCCOc1ccccc1-n1cc[nH+]c1 ZINC000546611490 325293950 /nfs/dbraw/zinc/29/39/50/325293950.db2.gz UHXXTMXIQHGKQF-UHFFFAOYSA-N 1 2 226.279 2.665 20 30 BFEDLO CCc1ccc2[nH+]ccc(NC[C@@H](C)C#N)c2c1 ZINC000564632212 325799734 /nfs/dbraw/zinc/79/97/34/325799734.db2.gz NIZBSQKWFNKVRD-NSHDSACASA-N 1 2 239.322 2.791 20 30 BFEDLO CC1(C#N)C[NH+]([C@@H]2C=CCCCCC2)C1 ZINC000567483236 326201791 /nfs/dbraw/zinc/20/17/91/326201791.db2.gz QJLBEXMWZNSFEV-GFCCVEGCSA-N 1 2 204.317 2.721 20 30 BFEDLO COCC#CCOc1cc(C)[nH+]c2ccccc21 ZINC000683072249 488104913 /nfs/dbraw/zinc/10/49/13/488104913.db2.gz ABHLUVNZLDXNKE-UHFFFAOYSA-N 1 2 241.290 2.572 20 30 BFEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000678625071 488272276 /nfs/dbraw/zinc/27/22/76/488272276.db2.gz YOZYYNYQKNHVHN-GFCCVEGCSA-N 1 2 221.300 2.619 20 30 BFEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000678625071 488272278 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/nfs/dbraw/zinc/23/59/47/527235947.db2.gz WSUXXDOTDYSKDY-ZDUSSCGKSA-N 1 2 248.374 2.982 20 30 BFEDLO CC[N@H+](CCC#N)Cc1scnc1C1CC1 ZINC000495092179 528375863 /nfs/dbraw/zinc/37/58/63/528375863.db2.gz HFAVPOGFZGQSLZ-UHFFFAOYSA-N 1 2 235.356 2.756 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1scnc1C1CC1 ZINC000495092179 528375869 /nfs/dbraw/zinc/37/58/69/528375869.db2.gz HFAVPOGFZGQSLZ-UHFFFAOYSA-N 1 2 235.356 2.756 20 30 BFEDLO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000371378239 534996019 /nfs/dbraw/zinc/99/60/19/534996019.db2.gz HXOBYBOFLMLEKJ-NSHDSACASA-N 1 2 248.330 2.536 20 30 BFEDLO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000371378239 534996024 /nfs/dbraw/zinc/99/60/24/534996024.db2.gz HXOBYBOFLMLEKJ-NSHDSACASA-N 1 2 248.330 2.536 20 30 BFEDLO CCn1nccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000119188111 535862536 /nfs/dbraw/zinc/86/25/36/535862536.db2.gz UGBIWJRMEDBPOJ-UHFFFAOYSA-N 1 2 248.374 2.665 20 30 BFEDLO CCn1nccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000119188111 535862538 /nfs/dbraw/zinc/86/25/38/535862538.db2.gz UGBIWJRMEDBPOJ-UHFFFAOYSA-N 1 2 248.374 2.665 20 30 BFEDLO CC[C@@]1(C)COCC[N@@H+]1CC#Cc1ccccc1 ZINC000361867654 536063431 /nfs/dbraw/zinc/06/34/31/536063431.db2.gz ITDPYHPGJUQZHV-INIZCTEOSA-N 1 2 243.350 2.539 20 30 BFEDLO CC[C@@]1(C)COCC[N@H+]1CC#Cc1ccccc1 ZINC000361867654 536063436 /nfs/dbraw/zinc/06/34/36/536063436.db2.gz ITDPYHPGJUQZHV-INIZCTEOSA-N 1 2 243.350 2.539 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CC1=CCCC1 ZINC000852997915 588714871 /nfs/dbraw/zinc/71/48/71/588714871.db2.gz DWUOHNRIIFMMAI-UVTDQMKNSA-N 1 2 201.269 2.921 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N(C)CCC ZINC000853240646 588728288 /nfs/dbraw/zinc/72/82/88/588728288.db2.gz QDKINBRSKMRICW-UHFFFAOYSA-N 1 2 232.327 2.720 20 30 BFEDLO C[C@H]1CCCCN1N=Cc1cccc2[nH+]ccn21 ZINC000853378884 588739074 /nfs/dbraw/zinc/73/90/74/588739074.db2.gz DTHDZQODHYOBLK-LBPRGKRZSA-N 1 2 242.326 2.543 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N(C)CCC=C ZINC000853520115 588747375 /nfs/dbraw/zinc/74/73/75/588747375.db2.gz MDCBWHVJRYECGF-UHFFFAOYSA-N 1 2 244.338 2.886 20 30 BFEDLO CC1(CO[NH+]=C(N)c2ccc(F)cc2)CCC1 ZINC000853646545 588752072 /nfs/dbraw/zinc/75/20/72/588752072.db2.gz UKCIMSZKPOWAMJ-UHFFFAOYSA-N 1 2 236.290 2.653 20 30 BFEDLO CC[N@@H+](Cc1csc(C#N)c1)C[C@H](C)C#N ZINC000891715835 582713580 /nfs/dbraw/zinc/71/35/80/582713580.db2.gz HYGZSGHBQGKAMQ-SNVBAGLBSA-N 1 2 233.340 2.601 20 30 BFEDLO CC[N@H+](Cc1csc(C#N)c1)C[C@H](C)C#N ZINC000891715835 582713581 /nfs/dbraw/zinc/71/35/81/582713581.db2.gz HYGZSGHBQGKAMQ-SNVBAGLBSA-N 1 2 233.340 2.601 20 30 BFEDLO N#CCC[N@@H+](Cc1ccc(O)c(F)c1)CC1CC1 ZINC000891933690 582739658 /nfs/dbraw/zinc/73/96/58/582739658.db2.gz KZRISWAWCYNWGO-UHFFFAOYSA-N 1 2 248.301 2.657 20 30 BFEDLO N#CCC[N@H+](Cc1ccc(O)c(F)c1)CC1CC1 ZINC000891933690 582739660 /nfs/dbraw/zinc/73/96/60/582739660.db2.gz KZRISWAWCYNWGO-UHFFFAOYSA-N 1 2 248.301 2.657 20 30 BFEDLO CCc1cc(NCCCCC#N)nc(CC)[nH+]1 ZINC000892326492 582849013 /nfs/dbraw/zinc/84/90/13/582849013.db2.gz BIOWWYMJNLVAHV-UHFFFAOYSA-N 1 2 232.331 2.707 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1nccc2c1CCCC2 ZINC000893607551 583172666 /nfs/dbraw/zinc/17/26/66/583172666.db2.gz XOLDNYRPCDUYDT-CYBMUJFWSA-N 1 2 243.354 2.742 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)C/C=C\c1cccc(F)c1 ZINC000893995131 583268049 /nfs/dbraw/zinc/26/80/49/583268049.db2.gz MQUILAOAVLBNSP-RNZFLTOJSA-N 1 2 232.302 2.930 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC000893995131 583268051 /nfs/dbraw/zinc/26/80/51/583268051.db2.gz MQUILAOAVLBNSP-RNZFLTOJSA-N 1 2 232.302 2.930 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc2c1NCCC2 ZINC000894000729 583271570 /nfs/dbraw/zinc/27/15/70/583271570.db2.gz ABKUNINZKLVOFQ-LBPRGKRZSA-N 1 2 243.354 2.779 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000894000729 583271573 /nfs/dbraw/zinc/27/15/73/583271573.db2.gz ABKUNINZKLVOFQ-LBPRGKRZSA-N 1 2 243.354 2.779 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc2c1NCCC2 ZINC000894000728 583271708 /nfs/dbraw/zinc/27/17/08/583271708.db2.gz ABKUNINZKLVOFQ-GFCCVEGCSA-N 1 2 243.354 2.779 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000894000728 583271710 /nfs/dbraw/zinc/27/17/10/583271710.db2.gz ABKUNINZKLVOFQ-GFCCVEGCSA-N 1 2 243.354 2.779 20 30 BFEDLO C=C(CC)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894116779 583309493 /nfs/dbraw/zinc/30/94/93/583309493.db2.gz KRMHYULEZLHJEB-SNVBAGLBSA-N 1 2 206.289 2.513 20 30 BFEDLO C[N@H+](Cc1csc(C#N)c1)CC(C)(C)C#N ZINC000894609338 583492260 /nfs/dbraw/zinc/49/22/60/583492260.db2.gz CZVCHLVHKHOEDA-UHFFFAOYSA-N 1 2 233.340 2.601 20 30 BFEDLO C[N@@H+](Cc1csc(C#N)c1)CC(C)(C)C#N ZINC000894609338 583492262 /nfs/dbraw/zinc/49/22/62/583492262.db2.gz CZVCHLVHKHOEDA-UHFFFAOYSA-N 1 2 233.340 2.601 20 30 BFEDLO C[N@H+](Cc1cccc2c1OCC2)CC(C)(C)C#N ZINC000894609968 583492372 /nfs/dbraw/zinc/49/23/72/583492372.db2.gz IPTAUXXEZWELSO-UHFFFAOYSA-N 1 2 244.338 2.603 20 30 BFEDLO C[N@@H+](Cc1cccc2c1OCC2)CC(C)(C)C#N ZINC000894609968 583492374 /nfs/dbraw/zinc/49/23/74/583492374.db2.gz IPTAUXXEZWELSO-UHFFFAOYSA-N 1 2 244.338 2.603 20 30 BFEDLO CCOc1ccc(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000894610297 583492379 /nfs/dbraw/zinc/49/23/79/583492379.db2.gz KWROERZRHAWPBD-UHFFFAOYSA-N 1 2 236.315 2.660 20 30 BFEDLO CCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000894610297 583492380 /nfs/dbraw/zinc/49/23/80/583492380.db2.gz KWROERZRHAWPBD-UHFFFAOYSA-N 1 2 236.315 2.660 20 30 BFEDLO N#Cc1cc(C[NH+]2CC3(CC(F)C3)C2)cs1 ZINC000894830383 583527638 /nfs/dbraw/zinc/52/76/38/583527638.db2.gz NBMZCBORMWGFHF-UHFFFAOYSA-N 1 2 236.315 2.554 20 30 BFEDLO CC(=[NH+]Nc1ccc(C)cn1)c1ccc(N)cc1 ZINC000727262898 583626849 /nfs/dbraw/zinc/62/68/49/583626849.db2.gz CGDUYTXIPFFSPV-UHFFFAOYSA-N 1 2 240.310 2.808 20 30 BFEDLO C#CCCCCCC[N@H+]1CC[C@@H]1C(F)F ZINC000895432229 583670625 /nfs/dbraw/zinc/67/06/25/583670625.db2.gz XJZRWZKPEWKNQC-LLVKDONJSA-N 1 2 215.287 2.910 20 30 BFEDLO C#CCCCCCC[N@@H+]1CC[C@@H]1C(F)F ZINC000895432229 583670626 /nfs/dbraw/zinc/67/06/26/583670626.db2.gz XJZRWZKPEWKNQC-LLVKDONJSA-N 1 2 215.287 2.910 20 30 BFEDLO CCOc1ccc(/C=[NH+]/[C@@H]2C[C@H]2C)c(O)c1 ZINC000727685633 583735961 /nfs/dbraw/zinc/73/59/61/583735961.db2.gz VCNMQBSQKVFVDF-IRRDXNDKSA-N 1 2 219.284 2.618 20 30 BFEDLO C=C(C)CC/[NH+]=C/c1c(O)cccc1OC ZINC000840705845 583839569 /nfs/dbraw/zinc/83/95/69/583839569.db2.gz FYHRDEYDBYJFCO-NTEUORMPSA-N 1 2 219.284 2.786 20 30 BFEDLO C=C1CC(c2noc(C[C@@H](C)n3cc[nH+]c3)n2)C1 ZINC000896874723 583842899 /nfs/dbraw/zinc/84/28/99/583842899.db2.gz UDRCCRHESZYFKZ-SNVBAGLBSA-N 1 2 244.298 2.503 20 30 BFEDLO COc1cccc(/C=[NH+]\CC(C)(C)CC#N)c1O ZINC000840711010 583875339 /nfs/dbraw/zinc/87/53/39/583875339.db2.gz OEPNSQGFEKFITM-SXGWCWSVSA-N 1 2 246.310 2.760 20 30 BFEDLO Oc1cccc(/C=[NH+]/C[C@@H]2C[C@H]2C2CC2)c1O ZINC000840711138 583878062 /nfs/dbraw/zinc/87/80/62/583878062.db2.gz VLKKJUKPGBUCQQ-WVVQMSQFSA-N 1 2 231.295 2.563 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2C[C@H]2C2CC2)c1 ZINC000840711837 583879292 /nfs/dbraw/zinc/87/92/92/583879292.db2.gz ZLNBHHYGFKDKPK-MBJKZJFESA-N 1 2 245.322 2.866 20 30 BFEDLO C#CC[N@@H+](Cc1ccc(F)c(F)c1O)C(C)C ZINC000897171282 583889196 /nfs/dbraw/zinc/88/91/96/583889196.db2.gz UWQHHUXEXBTNBD-UHFFFAOYSA-N 1 2 239.265 2.514 20 30 BFEDLO Cn1c[nH+]c(/C=C/C(=O)C2CCCCC2)c1 ZINC000800792305 583998310 /nfs/dbraw/zinc/99/83/10/583998310.db2.gz ABZUUKDYFOJDFH-BQYQJAHWSA-N 1 2 218.300 2.583 20 30 BFEDLO C=CC(C)(C)Nc1cc[nH+]c(C(C)C)n1 ZINC000897533167 584008693 /nfs/dbraw/zinc/00/86/93/584008693.db2.gz KDEVBVVVBMLYAH-UHFFFAOYSA-N 1 2 205.305 2.977 20 30 BFEDLO C=CC(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000897533675 584008861 /nfs/dbraw/zinc/00/88/61/584008861.db2.gz ULMDVFJUXMTEOV-UHFFFAOYSA-N 1 2 203.289 2.731 20 30 BFEDLO CC1(C=[NH+]n2nnc3c2CCCC3)CCCC1 ZINC000901328712 584423983 /nfs/dbraw/zinc/42/39/83/584423983.db2.gz MGHMGFNCSFBATH-UHFFFAOYSA-N 1 2 232.331 2.571 20 30 BFEDLO C[C@@H](C=[NH+]n1nnc2c1CCCC2)C(C)(C)C ZINC000901331836 584425352 /nfs/dbraw/zinc/42/53/52/584425352.db2.gz XRNPBFMJFFZDAP-JTQLQIEISA-N 1 2 234.347 2.673 20 30 BFEDLO C#CCCC[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000901447729 584447194 /nfs/dbraw/zinc/44/71/94/584447194.db2.gz PLQTUVAFUWDLDF-LLVKDONJSA-N 1 2 215.296 2.835 20 30 BFEDLO C[C@H](C#N)OCCOc1ccc2c[nH+]ccc2c1 ZINC000902639448 584649273 /nfs/dbraw/zinc/64/92/73/584649273.db2.gz XVJICLRPGBCYAW-LLVKDONJSA-N 1 2 242.278 2.542 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1c(O)cccc1F ZINC000903035672 584719535 /nfs/dbraw/zinc/71/95/35/584719535.db2.gz SIPSLGMPPYUTEB-JTQLQIEISA-N 1 2 248.301 2.876 20 30 BFEDLO CC(C)ON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000835002468 584917269 /nfs/dbraw/zinc/91/72/69/584917269.db2.gz LZUFTHTYFDGVQQ-UHFFFAOYSA-N 1 2 235.312 2.693 20 30 BFEDLO CC(C)c1cnc(C[NH+]2CCC(C#N)CC2)o1 ZINC000733309079 584946659 /nfs/dbraw/zinc/94/66/59/584946659.db2.gz ZNXAANDUCZEVKS-UHFFFAOYSA-N 1 2 233.315 2.534 20 30 BFEDLO C=C(Cl)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000734638518 584966073 /nfs/dbraw/zinc/96/60/73/584966073.db2.gz JPRSNFRVKHRDEQ-UHFFFAOYSA-N 1 2 217.740 2.628 20 30 BFEDLO C#CC[NH+](CC#C)[C@@H](C)c1ccc(F)cc1F ZINC000839500774 585105807 /nfs/dbraw/zinc/10/58/07/585105807.db2.gz ONJBPURIRZDRBM-NSHDSACASA-N 1 2 233.261 2.594 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccc(Cl)s1 ZINC000743852155 585140815 /nfs/dbraw/zinc/14/08/15/585140815.db2.gz CAJYSENFLRNEGE-UHFFFAOYSA-N 1 2 237.755 2.860 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccc(Cl)s1 ZINC000743852155 585140816 /nfs/dbraw/zinc/14/08/16/585140816.db2.gz CAJYSENFLRNEGE-UHFFFAOYSA-N 1 2 237.755 2.860 20 30 BFEDLO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)nc1 ZINC000747495545 585180084 /nfs/dbraw/zinc/18/00/84/585180084.db2.gz USCYUFBAXNZDPH-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO Cc1ccc(C[N@H+](CCC#N)CC(C)C)nc1 ZINC000747495545 585180085 /nfs/dbraw/zinc/18/00/85/585180085.db2.gz USCYUFBAXNZDPH-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO C=CCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000748314053 585190828 /nfs/dbraw/zinc/19/08/28/585190828.db2.gz MCHUBGWODDLTJG-UHFFFAOYSA-N 1 2 229.283 2.629 20 30 BFEDLO C#CCCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000751772495 585236583 /nfs/dbraw/zinc/23/65/83/585236583.db2.gz HFZPBHHHYUZUJW-UHFFFAOYSA-N 1 2 241.290 2.954 20 30 BFEDLO CC1(C)C[C@H](/[NH+]=C\c2ccccc2O)CCO1 ZINC000753885596 585271588 /nfs/dbraw/zinc/27/15/88/585271588.db2.gz UKKXGLXWMVYDQY-DYTQJMLRSA-N 1 2 233.311 2.769 20 30 BFEDLO CCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000754277567 585281716 /nfs/dbraw/zinc/28/17/16/585281716.db2.gz LWHWTFSOUHNATE-UHFFFAOYSA-N 1 2 224.279 2.571 20 30 BFEDLO C#CC[C@@H](Nc1cc(C)[nH+]cn1)c1ccccc1 ZINC000756957055 585325752 /nfs/dbraw/zinc/32/57/52/585325752.db2.gz KDQHFHXROFDWFP-CQSZACIVSA-N 1 2 237.306 2.962 20 30 BFEDLO C=CC[N@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000757923503 585346997 /nfs/dbraw/zinc/34/69/97/585346997.db2.gz OSFLWGREFYOJEM-UHFFFAOYSA-N 1 2 218.300 2.702 20 30 BFEDLO C=CC[N@@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000757923503 585346998 /nfs/dbraw/zinc/34/69/98/585346998.db2.gz OSFLWGREFYOJEM-UHFFFAOYSA-N 1 2 218.300 2.702 20 30 BFEDLO NC(=[NH+]OC1CCCC1)c1ccc(Cl)cc1 ZINC000758764114 585359567 /nfs/dbraw/zinc/35/95/67/585359567.db2.gz MDYFOESDKAQQEW-UHFFFAOYSA-N 1 2 238.718 2.920 20 30 BFEDLO C#CC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000758751886 585359636 /nfs/dbraw/zinc/35/96/36/585359636.db2.gz MKDCRHUAHSIDGJ-SECBINFHSA-N 1 2 221.250 2.517 20 30 BFEDLO C#CC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000758751886 585359637 /nfs/dbraw/zinc/35/96/37/585359637.db2.gz MKDCRHUAHSIDGJ-SECBINFHSA-N 1 2 221.250 2.517 20 30 BFEDLO CCC(C)(C)C/[NH+]=C\c1cccc(O)c1O ZINC000760982682 585403094 /nfs/dbraw/zinc/40/30/94/585403094.db2.gz VHRVZYSGTPKJIL-ZSOIEALJSA-N 1 2 221.300 2.953 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cn1c2ccccc2oc1=S ZINC000766663086 585504625 /nfs/dbraw/zinc/50/46/25/585504625.db2.gz JPXZAVSEGSNHLJ-SNVBAGLBSA-N 1 2 246.335 2.875 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2ccccc2oc1=S ZINC000766663086 585504626 /nfs/dbraw/zinc/50/46/26/585504626.db2.gz JPXZAVSEGSNHLJ-SNVBAGLBSA-N 1 2 246.335 2.875 20 30 BFEDLO CCO[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000767469663 585520813 /nfs/dbraw/zinc/52/08/13/585520813.db2.gz PNALZOCKUNTGAV-UHFFFAOYSA-N 1 2 236.290 2.796 20 30 BFEDLO C=CCN(C(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000767952501 585528693 /nfs/dbraw/zinc/52/86/93/585528693.db2.gz ZCGZHNRQWVYVRI-UHFFFAOYSA-N 1 2 247.342 2.549 20 30 BFEDLO CC1(C)CC[C@@H](/[NH+]=C\c2ccc(O)c(O)c2O)C1 ZINC000768270238 585535254 /nfs/dbraw/zinc/53/52/54/585535254.db2.gz XRBIJWAHUYUMJW-IIBSKXHVSA-N 1 2 249.310 2.801 20 30 BFEDLO Cc1cc(Cl)ccc1C[N@H+](C)CCC#N ZINC000768504004 585539301 /nfs/dbraw/zinc/53/93/01/585539301.db2.gz AZUGICWMPACMPV-UHFFFAOYSA-N 1 2 222.719 2.994 20 30 BFEDLO Cc1cc(Cl)ccc1C[N@@H+](C)CCC#N ZINC000768504004 585539302 /nfs/dbraw/zinc/53/93/02/585539302.db2.gz AZUGICWMPACMPV-UHFFFAOYSA-N 1 2 222.719 2.994 20 30 BFEDLO CC/C=C\CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000768927790 585546140 /nfs/dbraw/zinc/54/61/40/585546140.db2.gz TYOIOFAGMZYZMX-ARJAWSKDSA-N 1 2 236.290 2.819 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000769450837 585557087 /nfs/dbraw/zinc/55/70/87/585557087.db2.gz BAJAXDRXDQTNEU-DZGCQCFKSA-N 1 2 241.334 2.862 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000769450837 585557088 /nfs/dbraw/zinc/55/70/88/585557088.db2.gz BAJAXDRXDQTNEU-DZGCQCFKSA-N 1 2 241.334 2.862 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000769450839 585557126 /nfs/dbraw/zinc/55/71/26/585557126.db2.gz BAJAXDRXDQTNEU-HIFRSBDPSA-N 1 2 241.334 2.862 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000769450839 585557127 /nfs/dbraw/zinc/55/71/27/585557127.db2.gz BAJAXDRXDQTNEU-HIFRSBDPSA-N 1 2 241.334 2.862 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC000769975742 585568294 /nfs/dbraw/zinc/56/82/94/585568294.db2.gz LEYQJYRFNSWRLA-JTQLQIEISA-N 1 2 237.730 2.802 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000769975742 585568295 /nfs/dbraw/zinc/56/82/95/585568295.db2.gz LEYQJYRFNSWRLA-JTQLQIEISA-N 1 2 237.730 2.802 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cccc(F)c1Cl ZINC000772204348 585610153 /nfs/dbraw/zinc/61/01/53/585610153.db2.gz PHPZPYFKALIJTK-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C#CC[N@H+](CC)Cc1cccc(F)c1Cl ZINC000772204348 585610154 /nfs/dbraw/zinc/61/01/54/585610154.db2.gz PHPZPYFKALIJTK-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C#CCCCCC(=O)OCc1ccc(C)[nH+]c1C ZINC000772239634 585610762 /nfs/dbraw/zinc/61/07/62/585610762.db2.gz PIZZUIJAAWZYTE-UHFFFAOYSA-N 1 2 245.322 2.935 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NN[C@H]1CCCCC1(C)C ZINC000773124217 585631692 /nfs/dbraw/zinc/63/16/92/585631692.db2.gz JHCOVWFTSLTXDD-LBPRGKRZSA-N 1 2 234.347 2.610 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)c1ccccc1C ZINC000773181861 585633168 /nfs/dbraw/zinc/63/31/68/585633168.db2.gz JGEZPIKGAQMHNH-UHFFFAOYSA-N 1 2 218.300 2.808 20 30 BFEDLO CN(C)c1ncc(C=[NH+]OC2CCCC2)s1 ZINC000774609276 585662096 /nfs/dbraw/zinc/66/20/96/585662096.db2.gz WDNXWVPAVAAPHS-UHFFFAOYSA-N 1 2 239.344 2.502 20 30 BFEDLO Cc1cc[nH+]cc1CCC=NOC1CCOCC1 ZINC000776734531 585703520 /nfs/dbraw/zinc/70/35/20/585703520.db2.gz SDSQDEJNCLBEMX-UHFFFAOYSA-N 1 2 248.326 2.504 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000779188381 585746786 /nfs/dbraw/zinc/74/67/86/585746786.db2.gz MRIZKKSWMDDHMW-UHFFFAOYSA-N 1 2 229.682 2.803 20 30 BFEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccc(N)cc1 ZINC000781132666 585791216 /nfs/dbraw/zinc/79/12/16/585791216.db2.gz GMAQGQSIZRTYBO-UHFFFAOYSA-N 1 2 244.273 2.639 20 30 BFEDLO CCC(O)(CC)CC/[NH+]=C/c1ccccc1O ZINC000788284029 585920886 /nfs/dbraw/zinc/92/08/86/585920886.db2.gz AJEYUZHKAKNPOG-RVDMUPIBSA-N 1 2 235.327 2.752 20 30 BFEDLO Cc1ccc(F)c(N=NC(C)c2[nH]cc[nH+]2)c1 ZINC000790166245 585959061 /nfs/dbraw/zinc/95/90/61/585959061.db2.gz ARUHSIBTELWKAC-UHFFFAOYSA-N 1 2 232.262 2.693 20 30 BFEDLO CCC(=NNc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000790300870 585962890 /nfs/dbraw/zinc/96/28/90/585962890.db2.gz BGIKISNUAMRMOS-UHFFFAOYSA-N 1 2 246.289 2.785 20 30 BFEDLO C[C@H](NN=Cc1cccc2[nH+]ccn21)C(C)(C)C ZINC000793116333 586011113 /nfs/dbraw/zinc/01/11/13/586011113.db2.gz RWYCKNAJTKJMRJ-NSHDSACASA-N 1 2 244.342 2.692 20 30 BFEDLO CC[C@H](C)CO[NH+]=Cc1cnc(N(C)C)s1 ZINC000793164534 586012678 /nfs/dbraw/zinc/01/26/78/586012678.db2.gz WBMLLCSVJPQTAX-VIFPVBQESA-N 1 2 241.360 2.606 20 30 BFEDLO CSCCON=CCCc1ccc(C)[nH+]c1 ZINC000794573300 586044547 /nfs/dbraw/zinc/04/45/47/586044547.db2.gz VZCMHHSFBHSGKK-UHFFFAOYSA-N 1 2 238.356 2.688 20 30 BFEDLO Oc1ccccc1/C=[NH+]\[C@@H]1C[C@H]1C1CC1 ZINC000797398166 586126050 /nfs/dbraw/zinc/12/60/50/586126050.db2.gz LDZRNWYLPHMBLU-UARQWIGASA-N 1 2 201.269 2.610 20 30 BFEDLO CCC[NH2+]Nc1csc2cc(C)ccc12 ZINC000797787422 586131307 /nfs/dbraw/zinc/13/13/07/586131307.db2.gz PCODLIUGPUJHND-UHFFFAOYSA-N 1 2 220.341 2.804 20 30 BFEDLO Cc1ccc(C(=O)/C=C\c2cn(C)c[nH+]2)cc1 ZINC000798232304 586141325 /nfs/dbraw/zinc/14/13/25/586141325.db2.gz QTYIKJYSUSZALF-FPLPWBNLSA-N 1 2 226.279 2.625 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000799168528 586164470 /nfs/dbraw/zinc/16/44/70/586164470.db2.gz SIMHVHDEVMQSGM-NSHDSACASA-N 1 2 237.734 2.671 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000799168528 586164473 /nfs/dbraw/zinc/16/44/73/586164473.db2.gz SIMHVHDEVMQSGM-NSHDSACASA-N 1 2 237.734 2.671 20 30 BFEDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)no1 ZINC000800311520 586211665 /nfs/dbraw/zinc/21/16/65/586211665.db2.gz OFFAGUUJGCLDHE-LLVKDONJSA-N 1 2 241.294 2.706 20 30 BFEDLO Cc1ccc2c(c1)C/C(=C/c1cn(C)c[nH+]1)C2=O ZINC000800793932 586229573 /nfs/dbraw/zinc/22/95/73/586229573.db2.gz SQBPXUMBDUTPOC-GHXNOFRVSA-N 1 2 238.290 2.551 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000808785488 586490320 /nfs/dbraw/zinc/49/03/20/586490320.db2.gz ILHCELYZWBSKPH-UHFFFAOYSA-N 1 2 238.762 2.937 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1N(C)C ZINC000808785488 586490321 /nfs/dbraw/zinc/49/03/21/586490321.db2.gz ILHCELYZWBSKPH-UHFFFAOYSA-N 1 2 238.762 2.937 20 30 BFEDLO CCCCCCC[N@@H+]1CCOCC(F)(F)C1 ZINC000808784103 586490523 /nfs/dbraw/zinc/49/05/23/586490523.db2.gz QOLSVIWXGKMJCH-UHFFFAOYSA-N 1 2 235.318 2.924 20 30 BFEDLO CCCCCCC[N@H+]1CCOCC(F)(F)C1 ZINC000808784103 586490525 /nfs/dbraw/zinc/49/05/25/586490525.db2.gz QOLSVIWXGKMJCH-UHFFFAOYSA-N 1 2 235.318 2.924 20 30 BFEDLO C#Cc1ccc(CNc2ccc[nH+]c2C)cc1 ZINC000809627762 586509790 /nfs/dbraw/zinc/50/97/90/586509790.db2.gz FXOQMGIHGDUWKG-UHFFFAOYSA-N 1 2 222.291 2.983 20 30 BFEDLO C#Cc1ccc(CNc2c[nH+]cc(C)c2)cc1 ZINC000809627711 586509916 /nfs/dbraw/zinc/50/99/16/586509916.db2.gz DNHLQVHBOOOSMT-UHFFFAOYSA-N 1 2 222.291 2.983 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\CCCCF)c1 ZINC000812444300 586577494 /nfs/dbraw/zinc/57/74/94/586577494.db2.gz CCZLRFJAYNFFIQ-ZROIWOOFSA-N 1 2 225.263 2.569 20 30 BFEDLO CO[C@@H](C/[NH+]=C/c1ccccc1O)CC(C)C ZINC000841482701 586606306 /nfs/dbraw/zinc/60/63/06/586606306.db2.gz UUQVHSMZDHWAMQ-GULXKOIASA-N 1 2 235.327 2.872 20 30 BFEDLO C[N@H+](C[C@@H]1CC1(Cl)Cl)CC(C)(C)C#N ZINC000814668808 586627758 /nfs/dbraw/zinc/62/77/58/586627758.db2.gz DLRVXGISYVATPD-QMMMGPOBSA-N 1 2 235.158 2.662 20 30 BFEDLO C[N@@H+](C[C@@H]1CC1(Cl)Cl)CC(C)(C)C#N ZINC000814668808 586627760 /nfs/dbraw/zinc/62/77/60/586627760.db2.gz DLRVXGISYVATPD-QMMMGPOBSA-N 1 2 235.158 2.662 20 30 BFEDLO CCc1nocc1C[N@H+](CCC#N)CC(C)C ZINC000816481062 586735707 /nfs/dbraw/zinc/73/57/07/586735707.db2.gz HHMMHZRSGUZTSL-UHFFFAOYSA-N 1 2 235.331 2.609 20 30 BFEDLO CCc1nocc1C[N@@H+](CCC#N)CC(C)C ZINC000816481062 586735708 /nfs/dbraw/zinc/73/57/08/586735708.db2.gz HHMMHZRSGUZTSL-UHFFFAOYSA-N 1 2 235.331 2.609 20 30 BFEDLO CCOc1ccc(/C=[NH+]/[C@@H]2CC23CC3)c(O)c1 ZINC000818993153 586920342 /nfs/dbraw/zinc/92/03/42/586920342.db2.gz XKGKVSIVCHOYSJ-GULXKOIASA-N 1 2 231.295 2.762 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NNCCC(C)(C)C ZINC000819812714 586997418 /nfs/dbraw/zinc/99/74/18/586997418.db2.gz OLULLUULLJJUIP-UHFFFAOYSA-N 1 2 236.363 2.824 20 30 BFEDLO Cc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1 ZINC000821022525 587088992 /nfs/dbraw/zinc/08/89/92/587088992.db2.gz RVYCBLYUDKAPRI-YWEYNIOJSA-N 1 2 238.290 2.868 20 30 BFEDLO Cc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1 ZINC000821022522 587089084 /nfs/dbraw/zinc/08/90/84/587089084.db2.gz RVYCBLYUDKAPRI-XBXARRHUSA-N 1 2 238.290 2.868 20 30 BFEDLO Nc1ccc(/C=C\C(=O)c2cccc(F)c2)c[nH+]1 ZINC000821023075 587089261 /nfs/dbraw/zinc/08/92/61/587089261.db2.gz XQEFILBJDTXCAB-XQRVVYSFSA-N 1 2 242.253 2.699 20 30 BFEDLO C=C(Cl)C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000830833108 587572921 /nfs/dbraw/zinc/57/29/21/587572921.db2.gz WGMKZIPGGVQRBF-NSHDSACASA-N 1 2 229.751 2.772 20 30 BFEDLO C=C(Cl)C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000830833108 587572922 /nfs/dbraw/zinc/57/29/22/587572922.db2.gz WGMKZIPGGVQRBF-NSHDSACASA-N 1 2 229.751 2.772 20 30 BFEDLO CCCCCCCC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833302240 587705117 /nfs/dbraw/zinc/70/51/17/587705117.db2.gz YYJOMOSKUBANGY-GFCCVEGCSA-N 1 2 249.358 2.805 20 30 BFEDLO CCN(CC)c1ncc(C=[NH+]OC(C)C)s1 ZINC000835004361 587777305 /nfs/dbraw/zinc/77/73/05/587777305.db2.gz MZXDRAKJSLMGJY-UHFFFAOYSA-N 1 2 241.360 2.748 20 30 BFEDLO C=CC(C)(C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000837864411 587900664 /nfs/dbraw/zinc/90/06/64/587900664.db2.gz OQBQNMKAHUNPCV-UHFFFAOYSA-N 1 2 233.311 2.954 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709149 587917515 /nfs/dbraw/zinc/91/75/15/587917515.db2.gz BGPCORKGWCRGOB-APQAAQMMSA-N 1 2 215.296 3.000 20 30 BFEDLO CC(C)[C@@H]1C[C@H]1/[NH+]=C\c1cccc(O)c1O ZINC000840710587 587917561 /nfs/dbraw/zinc/91/75/61/587917561.db2.gz KQRVUZMMNOZWGI-NBTCZMPTSA-N 1 2 219.284 2.561 20 30 BFEDLO COc1cccc(/C=[NH+]/C[C@@H]2C[C@H]2C2CC2)c1O ZINC000840710157 587917566 /nfs/dbraw/zinc/91/75/66/587917566.db2.gz PCRSHFGRRCBEAF-FJPKCYBQSA-N 1 2 245.322 2.866 20 30 BFEDLO C=CCCCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000842033424 587991662 /nfs/dbraw/zinc/99/16/62/587991662.db2.gz PFQIBBYMESYQNE-UHFFFAOYSA-N 1 2 248.326 2.898 20 30 BFEDLO C[C@@H]1SCC[C@H]1/[NH+]=C\c1ccccc1O ZINC000843265185 588096674 /nfs/dbraw/zinc/09/66/74/588096674.db2.gz VJKGPTCNNMSBFG-MMFTZZHKSA-N 1 2 221.325 2.705 20 30 BFEDLO C=C[C@@H](C)ON=CCCc1ccc(C)[nH+]c1 ZINC000844625436 588211044 /nfs/dbraw/zinc/21/10/44/588211044.db2.gz LZHGEDBXTOYSPY-GFCCVEGCSA-N 1 2 218.300 2.900 20 30 BFEDLO C[C@@H]1CC[C@H](C)C(=NNCCCn2cc[nH+]c2)C1 ZINC000848416159 588380929 /nfs/dbraw/zinc/38/09/29/588380929.db2.gz ATRMVYXQIOFNSY-OLZOCXBDSA-N 1 2 248.374 2.675 20 30 BFEDLO C=CC[C@H]1CCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848416404 588381603 /nfs/dbraw/zinc/38/16/03/588381603.db2.gz KCFZEQKREHBUFG-ZDUSSCGKSA-N 1 2 246.358 2.595 20 30 BFEDLO C[C@@H]1CC(N=NCCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000848418225 588381961 /nfs/dbraw/zinc/38/19/61/588381961.db2.gz JWXUGVBWVDMRGI-STQMWFEESA-N 1 2 248.374 2.675 20 30 BFEDLO c1cn(CCCNN=C2CCCCCC2)c[nH+]1 ZINC000848420199 588382846 /nfs/dbraw/zinc/38/28/46/588382846.db2.gz RZKFWPXTYNPSSJ-UHFFFAOYSA-N 1 2 234.347 2.573 20 30 BFEDLO CC[C@H](C)CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000849170793 588459670 /nfs/dbraw/zinc/45/96/70/588459670.db2.gz ULPJIZZTOLLJIX-PFMRQGHBSA-N 1 2 237.299 2.659 20 30 BFEDLO CC(C)(F)CC/[NH+]=C\c1ccccc1O ZINC000849172082 588459920 /nfs/dbraw/zinc/45/99/20/588459920.db2.gz LTFQRYYIEBZUGL-ZROIWOOFSA-N 1 2 209.264 2.949 20 30 BFEDLO C[C@@H]1CCC[C@@H](C/[NH+]=C/c2ccccc2O)O1 ZINC000849172796 588459925 /nfs/dbraw/zinc/45/99/25/588459925.db2.gz ZSLRQESXPIVFSP-JXIANXGOSA-N 1 2 233.311 2.769 20 30 BFEDLO CCCCCCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000852189146 588671104 /nfs/dbraw/zinc/67/11/04/588671104.db2.gz XNASXCWICYQKJK-UHFFFAOYSA-N 1 2 241.335 2.568 20 30 BFEDLO CCCCCCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000852189146 588671105 /nfs/dbraw/zinc/67/11/05/588671105.db2.gz XNASXCWICYQKJK-UHFFFAOYSA-N 1 2 241.335 2.568 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000852319499 588677789 /nfs/dbraw/zinc/67/77/89/588677789.db2.gz NUKGITXKCBFGDG-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000852319499 588677790 /nfs/dbraw/zinc/67/77/90/588677790.db2.gz NUKGITXKCBFGDG-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO C[C@H](C#N)[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000852481181 588682929 /nfs/dbraw/zinc/68/29/29/588682929.db2.gz IGKGJICOCTUGTK-RKDXNWHRSA-N 1 2 247.169 2.947 20 30 BFEDLO C[C@H](C#N)[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000852481181 588682930 /nfs/dbraw/zinc/68/29/30/588682930.db2.gz IGKGJICOCTUGTK-RKDXNWHRSA-N 1 2 247.169 2.947 20 30 BFEDLO CC[N@H+](CC[C@H]1CC1(Cl)Cl)[C@@H](C)C#N ZINC000852645813 588692797 /nfs/dbraw/zinc/69/27/97/588692797.db2.gz LQMVHAJKIOYOAJ-IUCAKERBSA-N 1 2 235.158 2.804 20 30 BFEDLO CC[N@@H+](CC[C@H]1CC1(Cl)Cl)[C@@H](C)C#N ZINC000852645813 588692798 /nfs/dbraw/zinc/69/27/98/588692798.db2.gz LQMVHAJKIOYOAJ-IUCAKERBSA-N 1 2 235.158 2.804 20 30 BFEDLO C=C(Cl)C[NH+]1CCC(c2ccon2)CC1 ZINC000852672541 588694750 /nfs/dbraw/zinc/69/47/50/588694750.db2.gz FRQIVHWKRUQGCE-UHFFFAOYSA-N 1 2 226.707 2.607 20 30 BFEDLO C#CC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000862445593 589214880 /nfs/dbraw/zinc/21/48/80/589214880.db2.gz XRKPXGVJMSCFAZ-NSHDSACASA-N 1 2 249.741 2.891 20 30 BFEDLO C#CC[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000862445593 589214881 /nfs/dbraw/zinc/21/48/81/589214881.db2.gz XRKPXGVJMSCFAZ-NSHDSACASA-N 1 2 249.741 2.891 20 30 BFEDLO CCCO[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863123758 589261018 /nfs/dbraw/zinc/26/10/18/589261018.db2.gz KSLCDBPZJRTURC-UHFFFAOYSA-N 1 2 242.269 2.791 20 30 BFEDLO COc1ccc([C@H](C)C(C)=[NH+]n2cccn2)cc1 ZINC000863164642 589266827 /nfs/dbraw/zinc/26/68/27/589266827.db2.gz RALAXPGNDJNIPJ-LLVKDONJSA-N 1 2 243.310 2.919 20 30 BFEDLO CC(C)(C)[C@H]1CC(=[NH+]n2cccn2)CS1 ZINC000863164080 589266888 /nfs/dbraw/zinc/26/68/88/589266888.db2.gz ZQMKZHXZSTVFKW-SNVBAGLBSA-N 1 2 223.345 2.639 20 30 BFEDLO CCC(Cc1cccs1)=[NH+]n1cccn1 ZINC000863166105 589267177 /nfs/dbraw/zinc/26/71/77/589267177.db2.gz TYYONKNFWHYIRE-UHFFFAOYSA-N 1 2 219.313 2.801 20 30 BFEDLO C=C1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865527982 589443360 /nfs/dbraw/zinc/44/33/60/589443360.db2.gz VEEXAPVUDJGRHW-UHFFFAOYSA-N 1 2 248.717 2.719 20 30 BFEDLO C#CCCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865565631 589446774 /nfs/dbraw/zinc/44/67/74/589446774.db2.gz PLEDZBXIGOLSRM-UHFFFAOYSA-N 1 2 217.316 2.500 20 30 BFEDLO C#CCCCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865610710 589451064 /nfs/dbraw/zinc/45/10/64/589451064.db2.gz WWOIRVUXJNXQPZ-UHFFFAOYSA-N 1 2 248.717 2.827 20 30 BFEDLO C=CCCOCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865642153 589453709 /nfs/dbraw/zinc/45/37/09/589453709.db2.gz BZCKGKFUOHWMJS-UHFFFAOYSA-N 1 2 249.358 2.680 20 30 BFEDLO CC(C)Cc1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000865751402 589460605 /nfs/dbraw/zinc/46/06/05/589460605.db2.gz MEXDOSBFPNFJOC-UHFFFAOYSA-N 1 2 244.342 2.781 20 30 BFEDLO C[C@H](O)c1ccc(N[C@H]2CC[C@@H](CC#N)C2)[nH+]c1 ZINC000865849344 589465027 /nfs/dbraw/zinc/46/50/27/589465027.db2.gz SZXDNOLFLOUCSI-GVXVVHGQSA-N 1 2 245.326 2.629 20 30 BFEDLO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866296406 589484463 /nfs/dbraw/zinc/48/44/63/589484463.db2.gz BQUXTNJQCQJBME-WDEREUQCSA-N 1 2 230.311 2.879 20 30 BFEDLO C[C@@H](F)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866362230 589487992 /nfs/dbraw/zinc/48/79/92/589487992.db2.gz CLJUALAZKDURHX-NXEZZACHSA-N 1 2 236.290 2.663 20 30 BFEDLO CC/C=C/C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866364306 589488257 /nfs/dbraw/zinc/48/82/57/589488257.db2.gz QVMNXUBNJZSACQ-ZWNMCFTASA-N 1 2 230.311 2.881 20 30 BFEDLO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cccc(C#N)c1O ZINC000866371952 589488585 /nfs/dbraw/zinc/48/85/85/589488585.db2.gz COBZHROXVJGOAH-SKDRFNHKSA-N 1 2 230.311 2.713 20 30 BFEDLO C[C@H]([NH2+][C@H]1C=CCC1)c1cccc(C#N)c1O ZINC000866388184 589489182 /nfs/dbraw/zinc/48/91/82/589489182.db2.gz CWMJRORYTFKCOC-JQWIXIFHSA-N 1 2 228.295 2.633 20 30 BFEDLO C[C@H]([NH2+]CC1CC(C)C1)c1cccc(C#N)c1O ZINC000866393663 589489752 /nfs/dbraw/zinc/48/97/52/589489752.db2.gz QSCAHRSFNIGPOC-CXQJBGSLSA-N 1 2 244.338 2.961 20 30 BFEDLO CC(C)(C)c1cn(C[C@@H](C#N)CCC#N)c[nH+]1 ZINC000871988700 589853339 /nfs/dbraw/zinc/85/33/39/589853339.db2.gz DVZWMJSBNQKBMO-LLVKDONJSA-N 1 2 230.315 2.624 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872044406 589859662 /nfs/dbraw/zinc/85/96/62/589859662.db2.gz AUBISAQUXDDYMK-MRVPVSSYSA-N 1 2 229.682 2.934 20 30 BFEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877616560 590374514 /nfs/dbraw/zinc/37/45/14/590374514.db2.gz DWBSANUEZJGZRS-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO C#C[C@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877616560 590374517 /nfs/dbraw/zinc/37/45/17/590374517.db2.gz DWBSANUEZJGZRS-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO C=C(Cl)C[C@H]([NH2+]C(CC)CC)C(=O)OCC ZINC000877671912 590389007 /nfs/dbraw/zinc/38/90/07/590389007.db2.gz RMDYWONSDUYPBC-NSHDSACASA-N 1 2 247.766 2.839 20 30 BFEDLO CC[N@@H+](CC#N)CC[C@@H]1CCCC1(F)F ZINC000878031539 590476039 /nfs/dbraw/zinc/47/60/39/590476039.db2.gz CAIIHMAFTWMJFT-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO CC[N@H+](CC#N)CC[C@@H]1CCCC1(F)F ZINC000878031539 590476042 /nfs/dbraw/zinc/47/60/42/590476042.db2.gz CAIIHMAFTWMJFT-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000878639247 590598816 /nfs/dbraw/zinc/59/88/16/590598816.db2.gz FXAFEUJADYOEDR-ZDUSSCGKSA-N 1 2 236.359 2.593 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000878639247 590598818 /nfs/dbraw/zinc/59/88/18/590598818.db2.gz FXAFEUJADYOEDR-ZDUSSCGKSA-N 1 2 236.359 2.593 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cc(Cl)nc(Cl)c1 ZINC000878817170 590627498 /nfs/dbraw/zinc/62/74/98/590627498.db2.gz BPVYPSWEVKVADC-SSDOTTSWSA-N 1 2 244.125 2.780 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000879117708 590698732 /nfs/dbraw/zinc/69/87/32/590698732.db2.gz AZMFOWFGDUNVPL-UHFFFAOYSA-N 1 2 241.766 2.704 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000879117708 590698734 /nfs/dbraw/zinc/69/87/34/590698734.db2.gz AZMFOWFGDUNVPL-UHFFFAOYSA-N 1 2 241.766 2.704 20 30 BFEDLO C=CC(C)(C)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000879508533 590782530 /nfs/dbraw/zinc/78/25/30/590782530.db2.gz NBFQOGDXTOEHLR-SNVBAGLBSA-N 1 2 235.331 2.579 20 30 BFEDLO C#C[C@](C)(CC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000879527522 590788940 /nfs/dbraw/zinc/78/89/40/590788940.db2.gz QOTCGMMOGOCODO-CQSZACIVSA-N 1 2 245.326 2.622 20 30 BFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000880227619 590961998 /nfs/dbraw/zinc/96/19/98/590961998.db2.gz RYMMGEDDQFEHOO-QWRGUYRKSA-N 1 2 247.342 2.607 20 30 BFEDLO COc1cccc([C@H]2CC[N@H+](CC#N)C2(C)C)c1 ZINC000880285249 590984768 /nfs/dbraw/zinc/98/47/68/590984768.db2.gz QIYDYWWNTLGKNE-CQSZACIVSA-N 1 2 244.338 2.787 20 30 BFEDLO COc1cccc([C@H]2CC[N@@H+](CC#N)C2(C)C)c1 ZINC000880285249 590984770 /nfs/dbraw/zinc/98/47/70/590984770.db2.gz QIYDYWWNTLGKNE-CQSZACIVSA-N 1 2 244.338 2.787 20 30 BFEDLO C=CC[N@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC000880369208 591012777 /nfs/dbraw/zinc/01/27/77/591012777.db2.gz SZOAHJOMNQFBPS-UHFFFAOYSA-N 1 2 242.322 2.721 20 30 BFEDLO C=CC[N@@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC000880369208 591012778 /nfs/dbraw/zinc/01/27/78/591012778.db2.gz SZOAHJOMNQFBPS-UHFFFAOYSA-N 1 2 242.322 2.721 20 30 BFEDLO C[C@@]1(c2ccccc2)CCC[N@@H+]1CC#N ZINC000880372636 591014329 /nfs/dbraw/zinc/01/43/29/591014329.db2.gz ZDPYZKRQMJRBMW-ZDUSSCGKSA-N 1 2 200.285 2.521 20 30 BFEDLO C[C@@]1(c2ccccc2)CCC[N@H+]1CC#N ZINC000880372636 591014333 /nfs/dbraw/zinc/01/43/33/591014333.db2.gz ZDPYZKRQMJRBMW-ZDUSSCGKSA-N 1 2 200.285 2.521 20 30 BFEDLO C=C(C)C[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000883005940 591507244 /nfs/dbraw/zinc/50/72/44/591507244.db2.gz DHSOCUAUNZAPGO-LLVKDONJSA-N 1 2 249.358 2.513 20 30 BFEDLO C=C(C)C[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000883006791 591507350 /nfs/dbraw/zinc/50/73/50/591507350.db2.gz CGTVWRBPOITOIE-CYBMUJFWSA-N 1 2 242.322 2.974 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)c1ncco1)c1cccc(C#N)c1 ZINC000886539237 592252234 /nfs/dbraw/zinc/25/22/34/592252234.db2.gz WWROTMQVNXOBCZ-MNOVXSKESA-N 1 2 241.294 2.958 20 30 BFEDLO COc1cccc(/C=[NH+]\C[C@@H]2C=CCC2)c1O ZINC000887268045 592473512 /nfs/dbraw/zinc/47/35/12/592473512.db2.gz APLYVAKWTLDTLO-MKVLZVNKSA-N 1 2 231.295 2.786 20 30 BFEDLO Oc1ccc(/C=[NH+]\C2CCC=CCC2)c(O)c1O ZINC000887272494 592474092 /nfs/dbraw/zinc/47/40/92/592474092.db2.gz OCKZNPIAZZTVEZ-DHDCSXOGSA-N 1 2 247.294 2.721 20 30 BFEDLO C=C(CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000909388474 634590435 /nfs/dbraw/zinc/59/04/35/634590435.db2.gz VGRNRORXVRLACC-UHFFFAOYSA-N 1 2 232.327 2.703 20 30 BFEDLO NC(Cc1ccccc1)=[NH+]OCc1ccccc1 ZINC000108038539 635506249 /nfs/dbraw/zinc/50/62/49/635506249.db2.gz SBINJMKGGCAVRR-UHFFFAOYSA-N 1 2 240.306 2.718 20 30 BFEDLO C[NH+](C)c1ccc(NCc2ccc(C#N)o2)cc1 ZINC000157460550 631353166 /nfs/dbraw/zinc/35/31/66/631353166.db2.gz SZLBHSVGBMMAOO-UHFFFAOYSA-N 1 2 241.294 2.829 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1cccc2c1OCC2 ZINC000891694499 631451849 /nfs/dbraw/zinc/45/18/49/631451849.db2.gz NXGIAAPSYUKMDD-UHFFFAOYSA-N 1 2 244.338 2.746 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1cccc2c1OCC2 ZINC000891694499 631451852 /nfs/dbraw/zinc/45/18/52/631451852.db2.gz NXGIAAPSYUKMDD-UHFFFAOYSA-N 1 2 244.338 2.746 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1C/C(Cl)=C\Cl ZINC000934460347 631853859 /nfs/dbraw/zinc/85/38/59/631853859.db2.gz LLRCDQKCBZMFGT-ORZBULNSSA-N 1 2 206.116 2.956 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1C/C(Cl)=C\Cl ZINC000934460347 631853863 /nfs/dbraw/zinc/85/38/63/631853863.db2.gz LLRCDQKCBZMFGT-ORZBULNSSA-N 1 2 206.116 2.956 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000934470428 631864417 /nfs/dbraw/zinc/86/44/17/631864417.db2.gz CTIYDLVGTASMQB-JTQLQIEISA-N 1 2 235.331 2.518 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000934470428 631864420 /nfs/dbraw/zinc/86/44/20/631864420.db2.gz CTIYDLVGTASMQB-JTQLQIEISA-N 1 2 235.331 2.518 20 30 BFEDLO CC(=[NH+]Nc1ccccc1)c1csc(N)n1 ZINC000309304990 631996075 /nfs/dbraw/zinc/99/60/75/631996075.db2.gz VIMPGMSTTGKYSQ-UHFFFAOYSA-N 1 2 232.312 2.561 20 30 BFEDLO C=CCC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926685586 632820061 /nfs/dbraw/zinc/82/00/61/632820061.db2.gz NUKPZQKAHVYNQU-CYBMUJFWSA-N 1 2 230.311 2.881 20 30 BFEDLO C/C=C/C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926770143 633014082 /nfs/dbraw/zinc/01/40/82/633014082.db2.gz MZTSTZJKOXCBSD-MASHWEEQSA-N 1 2 230.311 2.881 20 30 BFEDLO N#C[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000079830678 636725342 /nfs/dbraw/zinc/72/53/42/636725342.db2.gz GXOCESOBRLKAOH-SGJXGLNRSA-N 1 2 226.323 2.935 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000079830678 636725346 /nfs/dbraw/zinc/72/53/46/636725346.db2.gz GXOCESOBRLKAOH-SGJXGLNRSA-N 1 2 226.323 2.935 20 30 BFEDLO CC[C@H]([NH2+]CC1CC1)c1cccc(C#N)c1O ZINC000924625458 636940756 /nfs/dbraw/zinc/94/07/56/636940756.db2.gz GVSRXORELAZCKY-ZDUSSCGKSA-N 1 2 230.311 2.715 20 30 BFEDLO C=CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906724121 638239644 /nfs/dbraw/zinc/23/96/44/638239644.db2.gz GVOFDUQLTIERDJ-JTQLQIEISA-N 1 2 232.327 2.701 20 30 BFEDLO C=C(C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000907241159 638330143 /nfs/dbraw/zinc/33/01/43/638330143.db2.gz ATVXWLLHGPBONG-UHFFFAOYSA-N 1 2 232.327 2.655 20 30 BFEDLO Cc1cc(C)[nH+]c(CN([C@@H](C)C#N)C2CC2)c1 ZINC000930971957 640006888 /nfs/dbraw/zinc/00/68/88/640006888.db2.gz BEIROVJIKHJTLO-LBPRGKRZSA-N 1 2 229.327 2.575 20 30 BFEDLO Cc1cc(C)nc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000931477626 640229735 /nfs/dbraw/zinc/22/97/35/640229735.db2.gz YTEQJMKEWJJOMQ-UKRRQHHQSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1cc(C)nc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000931477626 640229737 /nfs/dbraw/zinc/22/97/37/640229737.db2.gz YTEQJMKEWJJOMQ-UKRRQHHQSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)ccc1C#N ZINC000932148931 640440929 /nfs/dbraw/zinc/44/09/29/640440929.db2.gz UEXATIICCVKKLT-AWEZNQCLSA-N 1 2 239.322 2.602 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)ccc1C#N ZINC000932148931 640440933 /nfs/dbraw/zinc/44/09/33/640440933.db2.gz UEXATIICCVKKLT-AWEZNQCLSA-N 1 2 239.322 2.602 20 30 BFEDLO Cc1ccccc1OCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932161356 640445960 /nfs/dbraw/zinc/44/59/60/640445960.db2.gz MLGWQNPZUXBTPI-CQSZACIVSA-N 1 2 244.338 2.609 20 30 BFEDLO Cc1ccccc1OCC[N@H+]1CCC[C@H](C#N)C1 ZINC000932161356 640445963 /nfs/dbraw/zinc/44/59/63/640445963.db2.gz MLGWQNPZUXBTPI-CQSZACIVSA-N 1 2 244.338 2.609 20 30 BFEDLO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC#N ZINC000932279056 640469210 /nfs/dbraw/zinc/46/92/10/640469210.db2.gz UJSIOVDQWWOCSG-OCCSQVGLSA-N 1 2 214.312 2.778 20 30 BFEDLO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC#N ZINC000932279056 640469219 /nfs/dbraw/zinc/46/92/19/640469219.db2.gz UJSIOVDQWWOCSG-OCCSQVGLSA-N 1 2 214.312 2.778 20 30 BFEDLO C#CC[N@H+](Cc1nc2c(o1)CCCC2)C(C)(C)C ZINC000932462328 640534702 /nfs/dbraw/zinc/53/47/02/640534702.db2.gz VMPJGOSQIGVATA-UHFFFAOYSA-N 1 2 246.354 2.787 20 30 BFEDLO C#CC[N@@H+](Cc1nc2c(o1)CCCC2)C(C)(C)C ZINC000932462328 640534705 /nfs/dbraw/zinc/53/47/05/640534705.db2.gz VMPJGOSQIGVATA-UHFFFAOYSA-N 1 2 246.354 2.787 20 30 BFEDLO C#CC[N@@H+](Cc1nc(C)c(C)o1)C(C)(C)C ZINC000932464466 640538470 /nfs/dbraw/zinc/53/84/70/640538470.db2.gz PWKCMMHJIISHOV-UHFFFAOYSA-N 1 2 220.316 2.525 20 30 BFEDLO C#CC[N@H+](Cc1nc(C)c(C)o1)C(C)(C)C ZINC000932464466 640538477 /nfs/dbraw/zinc/53/84/77/640538477.db2.gz PWKCMMHJIISHOV-UHFFFAOYSA-N 1 2 220.316 2.525 20 30 BFEDLO C=C[C@H](CC)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000932615498 640587377 /nfs/dbraw/zinc/58/73/77/640587377.db2.gz QRCCDCOJJRPFII-LLVKDONJSA-N 1 2 243.310 2.875 20 30 BFEDLO CCCCCCCN1CC[NH+](C2CC2)CC1 ZINC000157654059 640699151 /nfs/dbraw/zinc/69/91/51/640699151.db2.gz ZAHPXHRKPXDPDN-UHFFFAOYSA-N 1 2 224.392 2.737 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000934511336 641178083 /nfs/dbraw/zinc/17/80/83/641178083.db2.gz SHPWSAKCMGFCES-AWEZNQCLSA-N 1 2 242.297 2.685 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000934511336 641178090 /nfs/dbraw/zinc/17/80/90/641178090.db2.gz SHPWSAKCMGFCES-AWEZNQCLSA-N 1 2 242.297 2.685 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000934512298 641180310 /nfs/dbraw/zinc/18/03/10/641180310.db2.gz JRXLORZRCDIIAN-LBPRGKRZSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000934512298 641180319 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/nfs/dbraw/zinc/03/66/40/958036640.db2.gz JVVRFBYEAHZPLP-UHFFFAOYSA-N 1 2 238.290 2.545 20 30 BFEDLO C=CCC[C@H](CC)OCCn1cc[nH+]c1 ZINC001222139110 972386147 /nfs/dbraw/zinc/38/61/47/972386147.db2.gz NRWWYIXBQFAQDF-LBPRGKRZSA-N 1 2 208.305 2.645 20 30 BFEDLO C[C@H](OCCn1cc[nH+]c1)c1ccccc1C#N ZINC001222139131 972386918 /nfs/dbraw/zinc/38/69/18/972386918.db2.gz OBXKGIQMZFHSFA-LBPRGKRZSA-N 1 2 241.294 2.533 20 30 BFEDLO Cc1c[nH+]c(C)c(Nc2cnccc2C#N)c1 ZINC000404465062 959283429 /nfs/dbraw/zinc/28/34/29/959283429.db2.gz BDSCCFLGXCETCY-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO CCCCCCCC[N@H+](C)Cc1cnn[nH]1 ZINC001203206352 959331687 /nfs/dbraw/zinc/33/16/87/959331687.db2.gz WFHJWYGSNUEKMI-UHFFFAOYSA-N 1 2 224.352 2.597 20 30 BFEDLO CCCCCCCC[N@@H+](C)Cc1cnn[nH]1 ZINC001203206352 959331704 /nfs/dbraw/zinc/33/17/04/959331704.db2.gz WFHJWYGSNUEKMI-UHFFFAOYSA-N 1 2 224.352 2.597 20 30 BFEDLO CCCCCCCC[N@H+](C)Cc1c[nH]nn1 ZINC001203206352 959331722 /nfs/dbraw/zinc/33/17/22/959331722.db2.gz WFHJWYGSNUEKMI-UHFFFAOYSA-N 1 2 224.352 2.597 20 30 BFEDLO CCCCCCCC[N@@H+](C)Cc1c[nH]nn1 ZINC001203206352 959331739 /nfs/dbraw/zinc/33/17/39/959331739.db2.gz WFHJWYGSNUEKMI-UHFFFAOYSA-N 1 2 224.352 2.597 20 30 BFEDLO N#C[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000308785034 959502075 /nfs/dbraw/zinc/50/20/75/959502075.db2.gz ZUTWLNQCUKJWRS-CYBMUJFWSA-N 1 2 206.333 2.945 20 30 BFEDLO N#C[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000308785034 959502084 /nfs/dbraw/zinc/50/20/84/959502084.db2.gz ZUTWLNQCUKJWRS-CYBMUJFWSA-N 1 2 206.333 2.945 20 30 BFEDLO Cc1ccc(Nc2ccc(N)c(C#N)c2)[nH+]c1 ZINC001213427494 959975600 /nfs/dbraw/zinc/97/56/00/959975600.db2.gz ZSKQJWOULPJZPQ-UHFFFAOYSA-N 1 2 224.267 2.588 20 30 BFEDLO CC1(C)C[NH+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751114 960548588 /nfs/dbraw/zinc/54/85/88/960548588.db2.gz JZXNYEQIJOFUSU-UHFFFAOYSA-N 1 2 236.265 2.678 20 30 BFEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1csnn1 ZINC000695890177 960569090 /nfs/dbraw/zinc/56/90/90/960569090.db2.gz GSSFCAZFCGWPCI-IUCAKERBSA-N 1 2 238.360 2.517 20 30 BFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001141167199 960898964 /nfs/dbraw/zinc/89/89/64/960898964.db2.gz FDBTZIJIZPQIJZ-YGRLFVJLSA-N 1 2 230.286 2.682 20 30 BFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001141167199 960898966 /nfs/dbraw/zinc/89/89/66/960898966.db2.gz FDBTZIJIZPQIJZ-YGRLFVJLSA-N 1 2 230.286 2.682 20 30 BFEDLO C=CCc1cc(C)c[nH+]c1NC1(CO)CCCC1 ZINC001167801378 961027727 /nfs/dbraw/zinc/02/77/27/961027727.db2.gz FBFQRHJUMWLWIC-UHFFFAOYSA-N 1 2 246.354 2.836 20 30 BFEDLO CN(C)c1ccc(N[C@H]2CC[C@H](C#N)CC2)[nH+]c1 ZINC001167844187 961250736 /nfs/dbraw/zinc/25/07/36/961250736.db2.gz BMRSLSOZGKGBJX-HAQNSBGRSA-N 1 2 244.342 2.642 20 30 BFEDLO N#CCc1cc[nH+]c(N[C@H]2CC[C@H](C#N)CC2)c1 ZINC001157055706 963520312 /nfs/dbraw/zinc/52/03/12/963520312.db2.gz REAQBCFWWRZXJB-JOCQHMNTSA-N 1 2 240.310 2.642 20 30 BFEDLO CCOc1ccc[nH+]c1N[C@H]1CC[C@H](C#N)CC1 ZINC001157055203 963520337 /nfs/dbraw/zinc/52/03/37/963520337.db2.gz PJPUIHIXYCHKPD-HAQNSBGRSA-N 1 2 245.326 2.975 20 30 BFEDLO COc1ccc2ccc(NCCCS)[nH+]c2c1 ZINC001159869416 964214716 /nfs/dbraw/zinc/21/47/16/964214716.db2.gz CCAGXGCSYJWYKY-UHFFFAOYSA-N 1 2 248.351 2.975 20 30 BFEDLO C#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)cn1 ZINC001213030802 964547512 /nfs/dbraw/zinc/54/75/12/964547512.db2.gz RUFYUTYMWRFQMV-UHFFFAOYSA-N 1 2 234.262 2.683 20 30 BFEDLO N#Cc1cccc(N)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213033569 964625569 /nfs/dbraw/zinc/62/55/69/964625569.db2.gz MZUFAZAUARLSJQ-UHFFFAOYSA-N 1 2 249.277 2.760 20 30 BFEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](CO)C(C)C ZINC001161735393 964724558 /nfs/dbraw/zinc/72/45/58/964724558.db2.gz NYHHBWUFUUNLQQ-ZDUSSCGKSA-N 1 2 234.343 2.547 20 30 BFEDLO C#C[C@H](C)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001163159714 965269088 /nfs/dbraw/zinc/26/90/88/965269088.db2.gz JOXMPCLOVOFMQW-JTQLQIEISA-N 1 2 221.263 2.540 20 30 BFEDLO C=C(C)CNc1ccc(-n2cccc2)c[nH+]1 ZINC001163375955 965377460 /nfs/dbraw/zinc/37/74/60/965377460.db2.gz PDIHACWJKNEVSF-UHFFFAOYSA-N 1 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2.886 20 30 BFEDLO Cc1ccc(-c2ccc(N)[nH+]c2)c(C)c1C#N ZINC001236318523 966364681 /nfs/dbraw/zinc/36/46/81/966364681.db2.gz YMOCFALNLDKEOW-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300005548 966489499 /nfs/dbraw/zinc/48/94/99/966489499.db2.gz VKXVDZJCRYANPR-UONOGXRCSA-N 1 2 248.370 2.714 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300005548 966489502 /nfs/dbraw/zinc/48/95/02/966489502.db2.gz VKXVDZJCRYANPR-UONOGXRCSA-N 1 2 248.370 2.714 20 30 BFEDLO C#C[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001167007795 966519494 /nfs/dbraw/zinc/51/94/94/966519494.db2.gz PMQGNZCKAUIVDS-ZDUSSCGKSA-N 1 2 243.354 2.758 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc(C)o1 ZINC001203293733 966603766 /nfs/dbraw/zinc/60/37/66/966603766.db2.gz BEJURGZYYNBDDS-UHFFFAOYSA-N 1 2 206.289 2.714 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(C)o1 ZINC001203293733 966603764 /nfs/dbraw/zinc/60/37/64/966603764.db2.gz BEJURGZYYNBDDS-UHFFFAOYSA-N 1 2 206.289 2.714 20 30 BFEDLO CNc1ccc(Nc2c(F)cccc2C#N)c[nH+]1 ZINC001203454967 966656436 /nfs/dbraw/zinc/65/64/36/966656436.db2.gz OCPIJTVODPQOPA-UHFFFAOYSA-N 1 2 242.257 2.878 20 30 BFEDLO C=CC[NH+]1CCN(Cc2ccc(C)cc2C)CC1 ZINC001203734460 966754467 /nfs/dbraw/zinc/75/44/67/966754467.db2.gz STYYISPCMYHIIW-UHFFFAOYSA-N 1 2 244.382 2.607 20 30 BFEDLO C#Cc1cc(Nc2ccc(F)c(C)c2F)cc[nH+]1 ZINC001250046381 967306728 /nfs/dbraw/zinc/30/67/28/967306728.db2.gz TWEOEKKGEQDIEE-UHFFFAOYSA-N 1 2 244.244 2.815 20 30 BFEDLO C=CC[N@@H+](C)Cc1cc(OCC)ncc1Cl ZINC001250317610 967684496 /nfs/dbraw/zinc/68/44/96/967684496.db2.gz RHVUJVXAXVWRBA-UHFFFAOYSA-N 1 2 240.734 2.752 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(OCC)ncc1Cl ZINC001250317610 967684511 /nfs/dbraw/zinc/68/45/11/967684511.db2.gz RHVUJVXAXVWRBA-UHFFFAOYSA-N 1 2 240.734 2.752 20 30 BFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1F ZINC001143175735 967780983 /nfs/dbraw/zinc/78/09/83/967780983.db2.gz HGNGGRKYJZWOKX-RNCFNFMXSA-N 1 2 248.276 2.821 20 30 BFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1F ZINC001143175735 967780994 /nfs/dbraw/zinc/78/09/94/967780994.db2.gz HGNGGRKYJZWOKX-RNCFNFMXSA-N 1 2 248.276 2.821 20 30 BFEDLO N#Cc1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001250580869 968101972 /nfs/dbraw/zinc/10/19/72/968101972.db2.gz DNZFKCGVUDTOLB-UHFFFAOYSA-N 1 2 219.247 2.873 20 30 BFEDLO N#CCC[N@H+](CCC1CC1)Cc1cccnc1 ZINC001208678734 969191200 /nfs/dbraw/zinc/19/12/00/969191200.db2.gz IHDNHKKTHSVBBR-UHFFFAOYSA-N 1 2 229.327 2.597 20 30 BFEDLO N#CCC[N@@H+](CCC1CC1)Cc1cccnc1 ZINC001208678734 969191204 /nfs/dbraw/zinc/19/12/04/969191204.db2.gz IHDNHKKTHSVBBR-UHFFFAOYSA-N 1 2 229.327 2.597 20 30 BFEDLO N#C[C@@H]1CCCC[N@@H+]1CC1Cc2ccccc2C1 ZINC001209321770 969443888 /nfs/dbraw/zinc/44/38/88/969443888.db2.gz KGYGBELBKCHIKR-INIZCTEOSA-N 1 2 240.350 2.779 20 30 BFEDLO N#C[C@@H]1CCCC[N@H+]1CC1Cc2ccccc2C1 ZINC001209321770 969443896 /nfs/dbraw/zinc/44/38/96/969443896.db2.gz KGYGBELBKCHIKR-INIZCTEOSA-N 1 2 240.350 2.779 20 30 BFEDLO C#Cc1cc(Nc2cccc(C=C)c2)cc[nH+]1 ZINC001209916353 969685653 /nfs/dbraw/zinc/68/56/53/969685653.db2.gz QBQYURUXNYZCPQ-UHFFFAOYSA-N 1 2 220.275 2.871 20 30 BFEDLO C#Cc1cc(NC2=CCC(F)(F)CC2)cc[nH+]1 ZINC001210027116 969762511 /nfs/dbraw/zinc/76/25/11/969762511.db2.gz HQUAGJFWAHXBQJ-UHFFFAOYSA-N 1 2 234.249 2.600 20 30 BFEDLO N#C[C@H]1CC[C@@H]([N@@H+]2Cc3cnc(Cl)cc3C2)C1 ZINC001254678951 969783890 /nfs/dbraw/zinc/78/38/90/969783890.db2.gz IXZMYTQAZUMWPU-JOYOIKCWSA-N 1 2 247.729 2.743 20 30 BFEDLO N#C[C@H]1CC[C@@H]([N@H+]2Cc3cnc(Cl)cc3C2)C1 ZINC001254678951 969783892 /nfs/dbraw/zinc/78/38/92/969783892.db2.gz IXZMYTQAZUMWPU-JOYOIKCWSA-N 1 2 247.729 2.743 20 30 BFEDLO C#Cc1cc(Nc2cc(F)c(C)c(F)c2)cc[nH+]1 ZINC001210105599 969800247 /nfs/dbraw/zinc/80/02/47/969800247.db2.gz FJLKSCKHQOBVSU-UHFFFAOYSA-N 1 2 244.244 2.815 20 30 BFEDLO C#C[C@@](C)(CC)Nc1ccc2[nH+]cn(C)c2c1 ZINC001169698418 969819226 /nfs/dbraw/zinc/81/92/26/969819226.db2.gz WBAOZJABMCFKTH-AWEZNQCLSA-N 1 2 227.311 2.787 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254939513 969829448 /nfs/dbraw/zinc/82/94/48/969829448.db2.gz GZYNDJZOSBYCSF-LALPHHSUSA-N 1 2 248.370 2.662 20 30 BFEDLO C#Cc1ccccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210289525 969856517 /nfs/dbraw/zinc/85/65/17/969856517.db2.gz POJJWNJBZGDDFL-UHFFFAOYSA-N 1 2 223.279 2.697 20 30 BFEDLO Cc1[nH+]cc(Nc2c(F)cccc2C#N)cc1N ZINC001210288034 969856584 /nfs/dbraw/zinc/85/65/84/969856584.db2.gz HVVSLCVNJGVMSW-UHFFFAOYSA-N 1 2 242.257 2.727 20 30 BFEDLO Cc1ccc(C#N)c(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210288970 969856888 /nfs/dbraw/zinc/85/68/88/969856888.db2.gz YJZMAACNWFIQPI-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1csnc1OC ZINC001169863886 969875334 /nfs/dbraw/zinc/87/53/34/969875334.db2.gz LIOXBKABJPBPHL-NSHDSACASA-N 1 2 238.356 2.692 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csnc1OC ZINC001169863886 969875337 /nfs/dbraw/zinc/87/53/37/969875337.db2.gz LIOXBKABJPBPHL-NSHDSACASA-N 1 2 238.356 2.692 20 30 BFEDLO CCC[C@@](C)(C#N)[NH2+]C1CCSCC1 ZINC001255086031 969917441 /nfs/dbraw/zinc/91/74/41/969917441.db2.gz XIWYYIHVVMTBJJ-NSHDSACASA-N 1 2 212.362 2.554 20 30 BFEDLO Cc1cc(C#N)cc(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001242477693 969967342 /nfs/dbraw/zinc/96/73/42/969967342.db2.gz HKWQKWGXKKUEMB-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO Cc1cc(C#N)cc(-c2ccc[nH+]c2N)c1 ZINC001242477733 969969170 /nfs/dbraw/zinc/96/91/70/969969170.db2.gz JKRTXVPYPJKZAF-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@@H](c1ccc(F)cn1)C1CC1 ZINC001255162051 969971142 /nfs/dbraw/zinc/97/11/42/969971142.db2.gz GBQHBDAPQOJTHA-GXTWGEPZSA-N 1 2 247.317 2.954 20 30 BFEDLO COCc1cc[nH+]c(N[C@H]2CC[C@H](C#N)CC2)c1 ZINC001157049789 970060835 /nfs/dbraw/zinc/06/08/35/970060835.db2.gz JZMJGDTWLMWKJZ-AULYBMBSSA-N 1 2 245.326 2.722 20 30 BFEDLO Cc1cnc(NC=[NH2+])c(C#C[Si](C)(C)C)c1 ZINC001157078916 970081206 /nfs/dbraw/zinc/08/12/06/970081206.db2.gz SXVMBXNRSAGMDN-UHFFFAOYSA-N 1 2 231.375 2.638 20 30 BFEDLO CC[C@@H](C#N)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255512860 970280788 /nfs/dbraw/zinc/28/07/88/970280788.db2.gz WHKQXBIETFPVIU-KYHHOPLUSA-N 1 2 234.265 2.999 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255534000 970296430 /nfs/dbraw/zinc/29/64/30/970296430.db2.gz OIOZVYAGXJRWJO-DGCLKSJQSA-N 1 2 224.348 2.616 20 30 BFEDLO Cc1c(C)n(-c2c[nH+]cc(C)c2C)c(N)c1C#N ZINC001213523165 970343259 /nfs/dbraw/zinc/34/32/59/970343259.db2.gz MRCFJEVATFOIBH-UHFFFAOYSA-N 1 2 240.310 2.560 20 30 BFEDLO CSc1nc(NCCCCC#N)cc(C)[nH+]1 ZINC001157638256 970504107 /nfs/dbraw/zinc/50/41/07/970504107.db2.gz ZGJFMJHWBIRSRR-UHFFFAOYSA-N 1 2 236.344 2.613 20 30 BFEDLO C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@@H](C#N)C1 ZINC001255851804 970519360 /nfs/dbraw/zinc/51/93/60/970519360.db2.gz WWDDIZMGEDRCAT-RYUDHWBXSA-N 1 2 232.302 2.602 20 30 BFEDLO C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@@H](C#N)C1 ZINC001255851804 970519373 /nfs/dbraw/zinc/51/93/73/970519373.db2.gz WWDDIZMGEDRCAT-RYUDHWBXSA-N 1 2 232.302 2.602 20 30 BFEDLO CC[C@@H]1C[C@@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001170168508 970544467 /nfs/dbraw/zinc/54/44/67/970544467.db2.gz INFSONGVDZCJPR-QWHCGFSZSA-N 1 2 236.359 2.760 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC001170189964 970557983 /nfs/dbraw/zinc/55/79/83/970557983.db2.gz CLDATJHYRBVZTG-RWMBFGLXSA-N 1 2 224.348 2.616 20 30 BFEDLO C=CCCCNc1[nH+]cc(OC)c2cc[nH]c21 ZINC001170298685 970677375 /nfs/dbraw/zinc/67/73/75/970677375.db2.gz JFIXBTUXHOJMIQ-UHFFFAOYSA-N 1 2 231.299 2.950 20 30 BFEDLO C=CCCCNc1ccc(N(C)C)c[nH+]1 ZINC001170301206 970683728 /nfs/dbraw/zinc/68/37/28/970683728.db2.gz JIQAYLSJIGTCPJ-UHFFFAOYSA-N 1 2 205.305 2.526 20 30 BFEDLO C=CCCC[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC001170301842 970688375 /nfs/dbraw/zinc/68/83/75/970688375.db2.gz GCFRBWBCCAWZAN-UHFFFAOYSA-N 1 2 232.327 2.893 20 30 BFEDLO C=C[C@H](OCc1c[nH+]cn1C)c1ccccc1 ZINC001222599475 972596773 /nfs/dbraw/zinc/59/67/73/972596773.db2.gz CDDSZQDERRFBSC-AWEZNQCLSA-N 1 2 228.295 2.864 20 30 BFEDLO C#C[C@@H](CC)OCc1cc(C)[nH+]c(C)c1 ZINC001223422255 973049737 /nfs/dbraw/zinc/04/97/37/973049737.db2.gz VSOYSLKDSUIWBN-ZDUSSCGKSA-N 1 2 203.285 2.627 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171805887 974190935 /nfs/dbraw/zinc/19/09/35/974190935.db2.gz SYNZSGYUQMQICQ-AAEUAGOBSA-N 1 2 244.313 2.528 20 30 BFEDLO N#C[C@@H]1CCC[N@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171805887 974190951 /nfs/dbraw/zinc/19/09/51/974190951.db2.gz SYNZSGYUQMQICQ-AAEUAGOBSA-N 1 2 244.313 2.528 20 30 BFEDLO N#C[C@H]1CCC[N@@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171805890 974193678 /nfs/dbraw/zinc/19/36/78/974193678.db2.gz SYNZSGYUQMQICQ-YPMHNXCESA-N 1 2 244.313 2.528 20 30 BFEDLO N#C[C@H]1CCC[N@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171805890 974193685 /nfs/dbraw/zinc/19/36/85/974193685.db2.gz SYNZSGYUQMQICQ-YPMHNXCESA-N 1 2 244.313 2.528 20 30 BFEDLO Cc1nnn([NH+]=C[C@@H]2CCCC[C@@H]2C)c1C ZINC001330883055 974522105 /nfs/dbraw/zinc/52/21/05/974522105.db2.gz NAHFHWPPHQFDAZ-CABZTGNLSA-N 1 2 220.320 2.555 20 30 BFEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H](C)CCCC#N ZINC001172478894 974776976 /nfs/dbraw/zinc/77/69/76/974776976.db2.gz ILBOFRUISRKNCF-VXGBXAGGSA-N 1 2 207.321 2.597 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+][C@@H](C)CCCC#N ZINC001172490870 974836658 /nfs/dbraw/zinc/83/66/58/974836658.db2.gz BJECIIDUEJGLOV-QWHCGFSZSA-N 1 2 221.348 2.987 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172927817 974975182 /nfs/dbraw/zinc/97/51/82/974975182.db2.gz GVBGUEYEBVYWDE-RYUDHWBXSA-N 1 2 224.348 2.616 20 30 BFEDLO CCCC[N@H+](CC#N)[C@@H]1CCC[C@H](OC)C1 ZINC001172943134 975000242 /nfs/dbraw/zinc/00/02/42/975000242.db2.gz LSMIXXLBFRWANJ-OLZOCXBDSA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@@H]1CCC[C@H](OC)C1 ZINC001172943134 975000247 /nfs/dbraw/zinc/00/02/47/975000247.db2.gz LSMIXXLBFRWANJ-OLZOCXBDSA-N 1 2 224.348 2.570 20 30 BFEDLO Cc1cc[nH+]c(C)c1O[C@@H]1CC[C@@H](C#N)C1 ZINC001227259335 975336384 /nfs/dbraw/zinc/33/63/84/975336384.db2.gz GZMPSKDXPGMDSN-VXGBXAGGSA-N 1 2 216.284 2.770 20 30 BFEDLO C#C[C@H](CCC)Oc1c(C)cc[nH+]c1C ZINC001227263326 975338314 /nfs/dbraw/zinc/33/83/14/975338314.db2.gz DPASIKCNGQDZMC-GFCCVEGCSA-N 1 2 203.285 2.879 20 30 BFEDLO CCC1=C(Oc2c(C)cc[nH+]c2C)C(=O)[C@H](C)O1 ZINC001227263663 975339788 /nfs/dbraw/zinc/33/97/88/975339788.db2.gz GNOATNSRFZBIDS-JTQLQIEISA-N 1 2 247.294 2.687 20 30 BFEDLO C#C[C@@H](Oc1c(C)cc[nH+]c1C)c1ccncc1 ZINC001227263368 975341016 /nfs/dbraw/zinc/34/10/16/975341016.db2.gz FVBJTHZWPUXKRS-CQSZACIVSA-N 1 2 238.290 2.847 20 30 BFEDLO C=CCc1ccc(OC2C[NH+](CC)C2)c(OC)c1 ZINC001227924460 975793876 /nfs/dbraw/zinc/79/38/76/975793876.db2.gz YXAGWJCBSUZLCK-UHFFFAOYSA-N 1 2 247.338 2.507 20 30 BFEDLO C#Cc1cc(Nc2c(C)cccc2C)cc[nH+]1 ZINC001173872410 975828956 /nfs/dbraw/zinc/82/89/56/975828956.db2.gz VMECBKLPUNTTME-UHFFFAOYSA-N 1 2 222.291 2.845 20 30 BFEDLO C#Cc1cc(Nc2ccc(F)cc2F)cc[nH+]1 ZINC001173925142 975903156 /nfs/dbraw/zinc/90/31/56/975903156.db2.gz GQXJPACDNCJUAB-UHFFFAOYSA-N 1 2 230.217 2.507 20 30 BFEDLO C=C[C@@H](C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228327374 976120668 /nfs/dbraw/zinc/12/06/68/976120668.db2.gz QNRZVORLFUBFQW-MRVPVSSYSA-N 1 2 202.257 2.825 20 30 BFEDLO C=CCOc1ccccc1OC1C[NH+](C(C)C)C1 ZINC001229613981 976911421 /nfs/dbraw/zinc/91/14/21/976911421.db2.gz LPNOXHVFKQWRJB-UHFFFAOYSA-N 1 2 247.338 2.723 20 30 BFEDLO C=CC(C=C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953951 977039769 /nfs/dbraw/zinc/03/97/69/977039769.db2.gz GJVIKJOFJWLATP-UHFFFAOYSA-N 1 2 226.279 2.992 20 30 BFEDLO C=CCOCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001335522404 977114371 /nfs/dbraw/zinc/11/43/71/977114371.db2.gz YLRBZFZJYFTQQU-UHFFFAOYSA-N 1 2 247.342 2.667 20 30 BFEDLO C#CC[N@@H+](Cc1csc(C2CC2)n1)CC1CC1 ZINC001335932939 977369847 /nfs/dbraw/zinc/36/98/47/977369847.db2.gz SYAXNTXOVUQNGX-UHFFFAOYSA-N 1 2 246.379 2.866 20 30 BFEDLO C#CC[N@H+](Cc1csc(C2CC2)n1)CC1CC1 ZINC001335932939 977369861 /nfs/dbraw/zinc/36/98/61/977369861.db2.gz SYAXNTXOVUQNGX-UHFFFAOYSA-N 1 2 246.379 2.866 20 30 BFEDLO C#C[C@H](CC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231079181 977465345 /nfs/dbraw/zinc/46/53/45/977465345.db2.gz HZSSQBVTNFQRHW-CYBMUJFWSA-N 1 2 240.306 2.878 20 30 BFEDLO C#CC[C@@H](C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083177 977471055 /nfs/dbraw/zinc/47/10/55/977471055.db2.gz DRGREVYGAYQHES-GFCCVEGCSA-N 1 2 240.306 2.878 20 30 BFEDLO COc1cc[nH+]cc1Nc1cc(F)cc(C#N)c1 ZINC001175683927 977657404 /nfs/dbraw/zinc/65/74/04/977657404.db2.gz PNYDDHAJRIKNKN-UHFFFAOYSA-N 1 2 243.241 2.845 20 30 BFEDLO C#Cc1cccc(-n2c(C)[nH+]c3ccc(N)cc32)c1 ZINC001175974724 977846228 /nfs/dbraw/zinc/84/62/28/977846228.db2.gz AMYZGUMILCKCMD-UHFFFAOYSA-N 1 2 247.301 2.897 20 30 BFEDLO COc1cc[nH+]cc1Nc1cc(F)ccc1C#N ZINC001176120483 977949014 /nfs/dbraw/zinc/94/90/14/977949014.db2.gz BPLNYTUMVZNQQM-UHFFFAOYSA-N 1 2 243.241 2.845 20 30 BFEDLO COc1cc[nH+]cc1Nc1ccccc1C#N ZINC001176120614 977949173 /nfs/dbraw/zinc/94/91/73/977949173.db2.gz GVSHKNVIQVBUMO-UHFFFAOYSA-N 1 2 225.251 2.705 20 30 BFEDLO COc1cc[nH+]cc1Nc1ccc(C#N)cc1F 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CC#CC[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC001561032647 991695359 /nfs/dbraw/zinc/69/53/59/991695359.db2.gz LWXWQYALCBBWDZ-UHFFFAOYSA-N 1 2 248.326 2.891 20 30 BFEDLO CC[C@@H](Cc1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC001258843872 991875038 /nfs/dbraw/zinc/87/50/38/991875038.db2.gz HLMREVFECNRWLJ-AWEZNQCLSA-N 1 2 228.339 2.853 20 30 BFEDLO CCC(C=[NH+]n1nnc(C)c1C)(CC)CC ZINC001262037458 992624103 /nfs/dbraw/zinc/62/41/03/992624103.db2.gz XLQKLSDZPJRRMU-UHFFFAOYSA-N 1 2 222.336 2.945 20 30 BFEDLO C=C1CC(C)(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)C1 ZINC001304107978 995190088 /nfs/dbraw/zinc/19/00/88/995190088.db2.gz MTWMYHPZWWTKHW-UHFFFAOYSA-N 1 2 247.342 2.506 20 30 BFEDLO C=C1CC(C)(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)C1 ZINC001304107978 995190095 /nfs/dbraw/zinc/19/00/95/995190095.db2.gz MTWMYHPZWWTKHW-UHFFFAOYSA-N 1 2 247.342 2.506 20 30 BFEDLO C#CC1(Nc2cc(CC)[nH+]c(CC)n2)CCCC1 ZINC001307195513 995302845 /nfs/dbraw/zinc/30/28/45/995302845.db2.gz PUTYKAGQAHUSHE-UHFFFAOYSA-N 1 2 243.354 2.959 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000058864376 136210471 /nfs/dbraw/zinc/21/04/71/136210471.db2.gz VLWJIWVPPGGPNP-QWRGUYRKSA-N 1 2 220.291 2.978 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000058864376 136210472 /nfs/dbraw/zinc/21/04/72/136210472.db2.gz VLWJIWVPPGGPNP-QWRGUYRKSA-N 1 2 220.291 2.978 20 30 BFEDLO C#CCCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119989004 136212916 /nfs/dbraw/zinc/21/29/16/136212916.db2.gz HDHMEGLTXLMXNK-UHFFFAOYSA-N 1 2 230.311 2.831 20 30 BFEDLO Cc1cc(C[NH2+]C2(C(F)F)CC2)ccc1C#N ZINC000337244234 178018550 /nfs/dbraw/zinc/01/85/50/178018550.db2.gz BZQMPRHPOWGVJN-UHFFFAOYSA-N 1 2 236.265 2.754 20 30 BFEDLO CCC(CC)CN(CCC#N)Cc1[nH+]ccn1C ZINC000072693020 168349840 /nfs/dbraw/zinc/34/98/40/168349840.db2.gz DLMIXULNAMADFY-UHFFFAOYSA-N 1 2 248.374 2.572 20 30 BFEDLO CC[N@H+](CCC#N)Cc1c(C)cccc1OC ZINC000602437319 349523948 /nfs/dbraw/zinc/52/39/48/349523948.db2.gz HLRPYACIEJRDHB-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1c(C)cccc1OC ZINC000602437319 349523949 /nfs/dbraw/zinc/52/39/49/349523949.db2.gz HLRPYACIEJRDHB-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO N#CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000334872500 398236702 /nfs/dbraw/zinc/23/67/02/398236702.db2.gz MRQBHFJXBUTBPT-KBPBESRZSA-N 1 2 214.312 2.826 20 30 BFEDLO CC#CC[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000293209455 136229798 /nfs/dbraw/zinc/22/97/98/136229798.db2.gz RDUNSHHJWWQGNY-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO CC#CC[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000293209455 136229799 /nfs/dbraw/zinc/22/97/99/136229799.db2.gz RDUNSHHJWWQGNY-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000576714223 365667537 /nfs/dbraw/zinc/66/75/37/365667537.db2.gz ALGLTVSRXYDNPG-SNVBAGLBSA-N 1 2 247.273 2.749 20 30 BFEDLO COc1cccc(C)c1C[N@H+](C)C[C@@H](C)C#N ZINC000602446978 349547475 /nfs/dbraw/zinc/54/74/75/349547475.db2.gz JKIRIBUGENBPSE-NSHDSACASA-N 1 2 232.327 2.595 20 30 BFEDLO COc1cccc(C)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000602446978 349547477 /nfs/dbraw/zinc/54/74/77/349547477.db2.gz JKIRIBUGENBPSE-NSHDSACASA-N 1 2 232.327 2.595 20 30 BFEDLO CCC[C@H](C[N@H+](CC#N)C1CCCC1)OC ZINC000602477733 349564263 /nfs/dbraw/zinc/56/42/63/349564263.db2.gz LNYGWJIQFIFZMO-CYBMUJFWSA-N 1 2 224.348 2.570 20 30 BFEDLO CCC[C@H](C[N@@H+](CC#N)C1CCCC1)OC ZINC000602477733 349564264 /nfs/dbraw/zinc/56/42/64/349564264.db2.gz LNYGWJIQFIFZMO-CYBMUJFWSA-N 1 2 224.348 2.570 20 30 BFEDLO N#C[C@]1(F)CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000615651516 398271823 /nfs/dbraw/zinc/27/18/23/398271823.db2.gz SYEMZOJCMQTRAM-QLFBSQMISA-N 1 2 244.313 2.728 20 30 BFEDLO N#C[C@]1(F)CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000615651516 398271824 /nfs/dbraw/zinc/27/18/24/398271824.db2.gz SYEMZOJCMQTRAM-QLFBSQMISA-N 1 2 244.313 2.728 20 30 BFEDLO CC[N@@H+](Cc1ccc2c(n1)CCC2)C[C@@H](C)C#N ZINC000583980021 342814766 /nfs/dbraw/zinc/81/47/66/342814766.db2.gz XNUDDCUSVCIASM-LBPRGKRZSA-N 1 2 243.354 2.552 20 30 BFEDLO CC[N@H+](Cc1ccc2c(n1)CCC2)C[C@@H](C)C#N ZINC000583980021 342814767 /nfs/dbraw/zinc/81/47/67/342814767.db2.gz XNUDDCUSVCIASM-LBPRGKRZSA-N 1 2 243.354 2.552 20 30 BFEDLO Cc1cc(C[NH2+]CC(C)(F)F)ccc1C#N ZINC000393948800 344006717 /nfs/dbraw/zinc/00/67/17/344006717.db2.gz VJWFFYAVMCQHCM-UHFFFAOYSA-N 1 2 224.254 2.612 20 30 BFEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C#N ZINC000042223981 361966799 /nfs/dbraw/zinc/96/67/99/361966799.db2.gz DHZUMQCFWVRFBK-DOMZBBRYSA-N 1 2 244.338 2.558 20 30 BFEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1C#N ZINC000042223981 361966809 /nfs/dbraw/zinc/96/68/09/361966809.db2.gz DHZUMQCFWVRFBK-DOMZBBRYSA-N 1 2 244.338 2.558 20 30 BFEDLO C=C(C)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187014670 133446958 /nfs/dbraw/zinc/44/69/58/133446958.db2.gz CLWZRAUAJQGGJR-JTQLQIEISA-N 1 2 240.397 2.809 20 30 BFEDLO C=C(C)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187014670 133446959 /nfs/dbraw/zinc/44/69/59/133446959.db2.gz CLWZRAUAJQGGJR-JTQLQIEISA-N 1 2 240.397 2.809 20 30 BFEDLO C[C@H](CCC#N)C[N@@H+]1CCCC(F)(F)C1 ZINC000602699182 349695412 /nfs/dbraw/zinc/69/54/12/349695412.db2.gz MQEHGLIXDNPNGM-SNVBAGLBSA-N 1 2 216.275 2.657 20 30 BFEDLO C[C@H](CCC#N)C[N@H+]1CCCC(F)(F)C1 ZINC000602699182 349695415 /nfs/dbraw/zinc/69/54/15/349695415.db2.gz MQEHGLIXDNPNGM-SNVBAGLBSA-N 1 2 216.275 2.657 20 30 BFEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(F)c1 ZINC000602719156 349697933 /nfs/dbraw/zinc/69/79/33/349697933.db2.gz UJKNUAUPGIGQNY-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(F)c1 ZINC000602719156 349697936 /nfs/dbraw/zinc/69/79/36/349697936.db2.gz UJKNUAUPGIGQNY-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO CC[N@@H+](Cc1c(C)cc(C)nc1C)C[C@H](C)C#N ZINC000602770358 349724940 /nfs/dbraw/zinc/72/49/40/349724940.db2.gz QNDSYNQDIBMYOF-LLVKDONJSA-N 1 2 245.370 2.988 20 30 BFEDLO CC[N@H+](Cc1c(C)cc(C)nc1C)C[C@H](C)C#N ZINC000602770358 349724942 /nfs/dbraw/zinc/72/49/42/349724942.db2.gz QNDSYNQDIBMYOF-LLVKDONJSA-N 1 2 245.370 2.988 20 30 BFEDLO C=C(C)C[C@H]([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000602731095 349717364 /nfs/dbraw/zinc/71/73/64/349717364.db2.gz IOZLTQNFLOJLMD-AWEZNQCLSA-N 1 2 247.338 2.592 20 30 BFEDLO C=CCCC(=O)Nc1cc[nH+]cc1CC ZINC000264987480 187234561 /nfs/dbraw/zinc/23/45/61/187234561.db2.gz BHJQEZWODQDVEG-UHFFFAOYSA-N 1 2 204.273 2.549 20 30 BFEDLO C=C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000268280690 187235800 /nfs/dbraw/zinc/23/58/00/187235800.db2.gz FRVFNTFJZUTRRL-UHFFFAOYSA-N 1 2 230.286 2.849 20 30 BFEDLO C[C@H](CC#N)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000602865853 349797996 /nfs/dbraw/zinc/79/79/96/349797996.db2.gz ZUVMBRGLNZWJGF-LLVKDONJSA-N 1 2 232.714 2.583 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000276109683 187238935 /nfs/dbraw/zinc/23/89/35/187238935.db2.gz HOBMPCIRLDVXRT-AWEZNQCLSA-N 1 2 243.310 2.875 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(F)cc1 ZINC000042454465 136272948 /nfs/dbraw/zinc/27/29/48/136272948.db2.gz DAUMXNSDDFEZLZ-UHFFFAOYSA-N 1 2 206.264 2.561 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(F)cc1 ZINC000042454465 136272949 /nfs/dbraw/zinc/27/29/49/136272949.db2.gz DAUMXNSDDFEZLZ-UHFFFAOYSA-N 1 2 206.264 2.561 20 30 BFEDLO CC[N@@H+](C/C=C/c1ccccc1)CCC#N ZINC000042454473 136272891 /nfs/dbraw/zinc/27/28/91/136272891.db2.gz VAVYNBMTPGUALY-UXBLZVDNSA-N 1 2 214.312 2.935 20 30 BFEDLO CC[N@H+](C/C=C/c1ccccc1)CCC#N ZINC000042454473 136272892 /nfs/dbraw/zinc/27/28/92/136272892.db2.gz VAVYNBMTPGUALY-UXBLZVDNSA-N 1 2 214.312 2.935 20 30 BFEDLO C=C(C)CCc1noc(Cc2ccc[nH+]c2C)n1 ZINC000288959814 136287944 /nfs/dbraw/zinc/28/79/44/136287944.db2.gz ANIFQHMHGJOCIK-UHFFFAOYSA-N 1 2 243.310 2.873 20 30 BFEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)c(C)s1 ZINC000299251890 136291547 /nfs/dbraw/zinc/29/15/47/136291547.db2.gz ZBOKRLHYQWCGSW-SECBINFHSA-N 1 2 222.357 2.956 20 30 BFEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)c(C)s1 ZINC000299251890 136291548 /nfs/dbraw/zinc/29/15/48/136291548.db2.gz ZBOKRLHYQWCGSW-SECBINFHSA-N 1 2 222.357 2.956 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(F)cc1Cl ZINC000134971037 343325627 /nfs/dbraw/zinc/32/56/27/343325627.db2.gz JSJSAYBVUKUKRV-QMMMGPOBSA-N 1 2 226.682 2.871 20 30 BFEDLO C=C[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(=O)OC ZINC000310297087 343419909 /nfs/dbraw/zinc/41/99/09/343419909.db2.gz ATVZSDDEVNIWNH-GFCCVEGCSA-N 1 2 239.359 2.520 20 30 BFEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1ccccn1 ZINC000350451861 136360925 /nfs/dbraw/zinc/36/09/25/136360925.db2.gz CVQIHDSZLBCZRC-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccn1 ZINC000350451861 136360926 /nfs/dbraw/zinc/36/09/26/136360926.db2.gz CVQIHDSZLBCZRC-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C=CCSCC[NH2+]Cc1ccccc1 ZINC000105462529 136361691 /nfs/dbraw/zinc/36/16/91/136361691.db2.gz OPMCTSVXNYMMBP-UHFFFAOYSA-N 1 2 207.342 2.695 20 30 BFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC=CCC1 ZINC000329611906 136367221 /nfs/dbraw/zinc/36/72/21/136367221.db2.gz OHQKZAXNXWHZTN-WDEREUQCSA-N 1 2 245.326 2.580 20 30 BFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC=CCC1 ZINC000329611906 136367222 /nfs/dbraw/zinc/36/72/22/136367222.db2.gz OHQKZAXNXWHZTN-WDEREUQCSA-N 1 2 245.326 2.580 20 30 BFEDLO Cc1ccnc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000616768064 343562336 /nfs/dbraw/zinc/56/23/36/343562336.db2.gz WWMFHKVIPGFITP-GFCCVEGCSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccnc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000616768064 343562337 /nfs/dbraw/zinc/56/23/37/343562337.db2.gz WWMFHKVIPGFITP-GFCCVEGCSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccnc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000616768066 343562411 /nfs/dbraw/zinc/56/24/11/343562411.db2.gz WWMFHKVIPGFITP-LBPRGKRZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccnc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000616768066 343562413 /nfs/dbraw/zinc/56/24/13/343562413.db2.gz WWMFHKVIPGFITP-LBPRGKRZSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000047979762 343569421 /nfs/dbraw/zinc/56/94/21/343569421.db2.gz JMFUVFSBHYLRPE-SNVBAGLBSA-N 1 2 222.719 2.931 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000047979762 343569424 /nfs/dbraw/zinc/56/94/24/343569424.db2.gz JMFUVFSBHYLRPE-SNVBAGLBSA-N 1 2 222.719 2.931 20 30 BFEDLO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000602904297 349817606 /nfs/dbraw/zinc/81/76/06/349817606.db2.gz VYDAJPSTPDMARA-HNNXBMFYSA-N 1 2 243.354 2.742 20 30 BFEDLO Cc1cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000602904297 349817611 /nfs/dbraw/zinc/81/76/11/349817611.db2.gz VYDAJPSTPDMARA-HNNXBMFYSA-N 1 2 243.354 2.742 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cn1 ZINC000602982715 349835015 /nfs/dbraw/zinc/83/50/15/349835015.db2.gz XIGJAKAUEMSMJI-KBPBESRZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cn1 ZINC000602982715 349835018 /nfs/dbraw/zinc/83/50/18/349835018.db2.gz XIGJAKAUEMSMJI-KBPBESRZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccnc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602979920 349844002 /nfs/dbraw/zinc/84/40/02/349844002.db2.gz JCLPHECGRAGJRL-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccnc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602979920 349844004 /nfs/dbraw/zinc/84/40/04/349844004.db2.gz JCLPHECGRAGJRL-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000602979380 349844236 /nfs/dbraw/zinc/84/42/36/349844236.db2.gz COBSMTJLUHZFPQ-UKRRQHHQSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000602979380 349844237 /nfs/dbraw/zinc/84/42/37/349844237.db2.gz COBSMTJLUHZFPQ-UKRRQHHQSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1[nH+]c(C(C)C)ccc1Cn1ccnc1C#N ZINC000334597087 343895255 /nfs/dbraw/zinc/89/52/55/343895255.db2.gz YCMLDYNPRLZSIE-UHFFFAOYSA-N 1 2 240.310 2.630 20 30 BFEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)ccn1 ZINC000600859733 344383397 /nfs/dbraw/zinc/38/33/97/344383397.db2.gz KUIMULKFMQGDIY-KGLIPLIRSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)ccn1 ZINC000600859733 344383399 /nfs/dbraw/zinc/38/33/99/344383399.db2.gz KUIMULKFMQGDIY-KGLIPLIRSA-N 1 2 229.327 2.514 20 30 BFEDLO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC000622945515 344500872 /nfs/dbraw/zinc/50/08/72/344500872.db2.gz GMHKFALZCZDJJA-GFCCVEGCSA-N 1 2 249.358 2.647 20 30 BFEDLO CCC(CC)[C@H](O)C/[NH+]=C/c1ccccc1O ZINC000110129638 344543239 /nfs/dbraw/zinc/54/32/39/344543239.db2.gz GZNNDCPRRIGAKT-UWZYDCLUSA-N 1 2 235.327 2.608 20 30 BFEDLO C#CCCCC/[NH+]=C/c1ccccc1O ZINC000121031430 344908085 /nfs/dbraw/zinc/90/80/85/344908085.db2.gz QPPWKDNMNDNBDN-SDNWHVSQSA-N 1 2 201.269 2.615 20 30 BFEDLO CC[C@@H](C)C[N@H+](CCC#N)Cc1ccccn1 ZINC000122251346 344952338 /nfs/dbraw/zinc/95/23/38/344952338.db2.gz TUPTVNWONUUFOO-CYBMUJFWSA-N 1 2 231.343 2.843 20 30 BFEDLO CC[C@@H](C)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000122251346 344952339 /nfs/dbraw/zinc/95/23/39/344952339.db2.gz TUPTVNWONUUFOO-CYBMUJFWSA-N 1 2 231.343 2.843 20 30 BFEDLO Cc1ccc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000153851192 344986203 /nfs/dbraw/zinc/98/62/03/344986203.db2.gz TWFCEYJCZFQRQZ-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000153851192 344986205 /nfs/dbraw/zinc/98/62/05/344986205.db2.gz TWFCEYJCZFQRQZ-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1cc(N[C@@H]2CCc3ccccc32)c(C#N)c[nH+]1 ZINC000425212433 192083158 /nfs/dbraw/zinc/08/31/58/192083158.db2.gz WBINSYHDWIFYLT-OAHLLOKOSA-N 1 2 249.317 2.783 20 30 BFEDLO CC[C@@H](C#N)Sc1[nH+]cc2ccccn21 ZINC000127227630 345166018 /nfs/dbraw/zinc/16/60/18/345166018.db2.gz LGRHNFZNIIBNIG-JTQLQIEISA-N 1 2 217.297 2.729 20 30 BFEDLO Cc1cc(N2CCC[C@@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000425267749 192086642 /nfs/dbraw/zinc/08/66/42/192086642.db2.gz MIVXSADFUIFBPY-CYBMUJFWSA-N 1 2 241.338 2.888 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000132275418 345324450 /nfs/dbraw/zinc/32/44/50/345324450.db2.gz ZRYMHSBCXRHNMF-LLVKDONJSA-N 1 2 249.333 2.626 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000132275418 345324453 /nfs/dbraw/zinc/32/44/53/345324453.db2.gz ZRYMHSBCXRHNMF-LLVKDONJSA-N 1 2 249.333 2.626 20 30 BFEDLO Cc1[nH+]ccc(N(C)C[C@H](C)C#N)c1Cl ZINC000335557891 345394677 /nfs/dbraw/zinc/39/46/77/345394677.db2.gz LHDWULNOCISVRX-MRVPVSSYSA-N 1 2 223.707 2.639 20 30 BFEDLO CC#CC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000159824119 345559829 /nfs/dbraw/zinc/55/98/29/345559829.db2.gz ARBOGEOFAQJRAO-ZDUSSCGKSA-N 1 2 242.347 2.845 20 30 BFEDLO CC[N@@H+](Cc1ccc(Cl)o1)C[C@@H](C)C#N ZINC000091982224 345613740 /nfs/dbraw/zinc/61/37/40/345613740.db2.gz NSLLMHUDHUEZLO-VIFPVBQESA-N 1 2 226.707 2.915 20 30 BFEDLO CC[N@H+](Cc1ccc(Cl)o1)C[C@@H](C)C#N ZINC000091982224 345613743 /nfs/dbraw/zinc/61/37/43/345613743.db2.gz NSLLMHUDHUEZLO-VIFPVBQESA-N 1 2 226.707 2.915 20 30 BFEDLO C[N@H+](CCC(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000249961227 362637887 /nfs/dbraw/zinc/63/78/87/362637887.db2.gz DBAGZHUIWAPSNT-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO C[N@@H+](CCC(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000249961227 362637893 /nfs/dbraw/zinc/63/78/93/362637893.db2.gz DBAGZHUIWAPSNT-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO C=CCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635872143 346093578 /nfs/dbraw/zinc/09/35/78/346093578.db2.gz LOXZQEQVQQUMJG-CYBMUJFWSA-N 1 2 249.358 2.553 20 30 BFEDLO N#CCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000020199819 187315761 /nfs/dbraw/zinc/31/57/61/187315761.db2.gz LTDNXSFBAWVXPV-UHFFFAOYSA-N 1 2 245.109 2.702 20 30 BFEDLO C=C(CC)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000636006995 346148922 /nfs/dbraw/zinc/14/89/22/346148922.db2.gz QHLQQMOQRKQZTN-CYBMUJFWSA-N 1 2 249.358 2.553 20 30 BFEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C)c[nH]1 ZINC000628234823 346188347 /nfs/dbraw/zinc/18/83/47/346188347.db2.gz OKCAZBNRKVPNHK-UHFFFAOYSA-N 1 2 245.326 2.542 20 30 BFEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C)c[nH]1 ZINC000628234823 346188350 /nfs/dbraw/zinc/18/83/50/346188350.db2.gz OKCAZBNRKVPNHK-UHFFFAOYSA-N 1 2 245.326 2.542 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000289651854 346219459 /nfs/dbraw/zinc/21/94/59/346219459.db2.gz LONKLSRHGKKRCG-NWDGAFQWSA-N 1 2 217.316 2.733 20 30 BFEDLO CC(C)[N@H+](CCC(C)(C)C#N)CC(F)F ZINC000120506584 535053135 /nfs/dbraw/zinc/05/31/35/535053135.db2.gz VLIRKHCNTIUPFU-UHFFFAOYSA-N 1 2 218.291 2.902 20 30 BFEDLO CC(C)[N@@H+](CCC(C)(C)C#N)CC(F)F ZINC000120506584 535053142 /nfs/dbraw/zinc/05/31/42/535053142.db2.gz VLIRKHCNTIUPFU-UHFFFAOYSA-N 1 2 218.291 2.902 20 30 BFEDLO CCC[N@@H+](CC#N)CCCc1cccc(F)c1 ZINC000182795978 347107185 /nfs/dbraw/zinc/10/71/85/347107185.db2.gz AWOSKXGPEUNXBQ-UHFFFAOYSA-N 1 2 234.318 2.994 20 30 BFEDLO CCC[N@H+](CC#N)CCCc1cccc(F)c1 ZINC000182795978 347107190 /nfs/dbraw/zinc/10/71/90/347107190.db2.gz AWOSKXGPEUNXBQ-UHFFFAOYSA-N 1 2 234.318 2.994 20 30 BFEDLO CC[C@H](CC#N)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000184571839 347167442 /nfs/dbraw/zinc/16/74/42/347167442.db2.gz VGKFKTYZLQCOLW-LLVKDONJSA-N 1 2 246.314 2.512 20 30 BFEDLO COc1cccc(/C=[NH+]/CC=C(C)C)c1O ZINC000190186666 347322934 /nfs/dbraw/zinc/32/29/34/347322934.db2.gz KGURRCUDRTWGPV-NTEUORMPSA-N 1 2 219.284 2.786 20 30 BFEDLO C=CCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCCC1 ZINC000616921764 347451212 /nfs/dbraw/zinc/45/12/12/347451212.db2.gz BNIASMJUTMCBFG-UHFFFAOYSA-N 1 2 247.342 2.505 20 30 BFEDLO C=CCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCCC1 ZINC000616921764 347451215 /nfs/dbraw/zinc/45/12/15/347451215.db2.gz BNIASMJUTMCBFG-UHFFFAOYSA-N 1 2 247.342 2.505 20 30 BFEDLO Cc1cnccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000590640480 347484114 /nfs/dbraw/zinc/48/41/14/347484114.db2.gz CZBFUCXLAWHKSW-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cnccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000590640480 347484117 /nfs/dbraw/zinc/48/41/17/347484117.db2.gz CZBFUCXLAWHKSW-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000590649053 347485823 /nfs/dbraw/zinc/48/58/23/347485823.db2.gz ONTOTRPIHDMVES-MRVPVSSYSA-N 1 2 249.701 2.730 20 30 BFEDLO N#C[C@]1(F)CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000590724029 347495191 /nfs/dbraw/zinc/49/51/91/347495191.db2.gz QBZCFBKXTWHBKN-WXRRBKDZSA-N 1 2 222.307 2.504 20 30 BFEDLO N#C[C@]1(F)CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000590724029 347495193 /nfs/dbraw/zinc/49/51/93/347495193.db2.gz QBZCFBKXTWHBKN-WXRRBKDZSA-N 1 2 222.307 2.504 20 30 BFEDLO C=C[C@H]([NH2+][C@H](CCC)C1CCCC1)C(=O)OC ZINC000591377344 347651154 /nfs/dbraw/zinc/65/11/54/347651154.db2.gz PGJGDCJOTCFOCV-QWHCGFSZSA-N 1 2 239.359 2.663 20 30 BFEDLO Cc1cc(N(C)CCOC(C)(C)C)c(C#N)c[nH+]1 ZINC000591821546 347701097 /nfs/dbraw/zinc/70/10/97/347701097.db2.gz NRJLUUAZMUYFCO-UHFFFAOYSA-N 1 2 247.342 2.513 20 30 BFEDLO CC(C)Cn1nccc1C[N@H+](C)CC(C)(C)C#N ZINC000592514742 347793608 /nfs/dbraw/zinc/79/36/08/347793608.db2.gz HNNDOUZTVSCYGW-UHFFFAOYSA-N 1 2 248.374 2.521 20 30 BFEDLO CC(C)Cn1nccc1C[N@@H+](C)CC(C)(C)C#N ZINC000592514742 347793613 /nfs/dbraw/zinc/79/36/13/347793613.db2.gz HNNDOUZTVSCYGW-UHFFFAOYSA-N 1 2 248.374 2.521 20 30 BFEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000593660600 347923464 /nfs/dbraw/zinc/92/34/64/347923464.db2.gz KEWPQUASMHLSFL-NSHDSACASA-N 1 2 248.326 2.541 20 30 BFEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000593660600 347923465 /nfs/dbraw/zinc/92/34/65/347923465.db2.gz KEWPQUASMHLSFL-NSHDSACASA-N 1 2 248.326 2.541 20 30 BFEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000593660599 347923480 /nfs/dbraw/zinc/92/34/80/347923480.db2.gz KEWPQUASMHLSFL-LLVKDONJSA-N 1 2 248.326 2.541 20 30 BFEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000593660599 347923482 /nfs/dbraw/zinc/92/34/82/347923482.db2.gz KEWPQUASMHLSFL-LLVKDONJSA-N 1 2 248.326 2.541 20 30 BFEDLO CC1(C)C[C@@H]([NH2+]CCC#N)c2ccc(F)cc2O1 ZINC000577423636 365951554 /nfs/dbraw/zinc/95/15/54/365951554.db2.gz NZCBOBYGDFWVAX-GFCCVEGCSA-N 1 2 248.301 2.931 20 30 BFEDLO C[C@@H](CCc1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC000593982433 347986883 /nfs/dbraw/zinc/98/68/83/347986883.db2.gz LJZRCAYGUGLSTO-ZDUSSCGKSA-N 1 2 228.339 2.853 20 30 BFEDLO Cc1cc[nH+]c(C)c1NC(=O)CCCCC#N ZINC000594020262 347991169 /nfs/dbraw/zinc/99/11/69/347991169.db2.gz FNWPNSGAYFHSPG-UHFFFAOYSA-N 1 2 231.299 2.721 20 30 BFEDLO CC(C)(C#N)c1ccc(C[NH2+]CC(F)F)cc1 ZINC000594505776 348064663 /nfs/dbraw/zinc/06/46/63/348064663.db2.gz ABCMAGFARXHMKI-UHFFFAOYSA-N 1 2 238.281 2.842 20 30 BFEDLO N#CC1(C[NH2+]Cc2nccs2)CCCCC1 ZINC000594981603 348164154 /nfs/dbraw/zinc/16/41/54/348164154.db2.gz RVWZNLJYPLHNDJ-UHFFFAOYSA-N 1 2 235.356 2.707 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccccn2)CCCCC1 ZINC000594993217 348167716 /nfs/dbraw/zinc/16/77/16/348167716.db2.gz BFGGZGYWAYYOJE-UHFFFAOYSA-N 1 2 229.327 2.645 20 30 BFEDLO Cc1cccnc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000357388686 179373513 /nfs/dbraw/zinc/37/35/13/179373513.db2.gz KKDGILFEHLTASF-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccnc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000357388686 179373515 /nfs/dbraw/zinc/37/35/15/179373515.db2.gz KKDGILFEHLTASF-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO N#C[C@H](c1ccccc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000595339361 348221464 /nfs/dbraw/zinc/22/14/64/348221464.db2.gz NNCDXQHMLPMQHR-RBSFLKMASA-N 1 2 226.323 2.983 20 30 BFEDLO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)co1 ZINC000595413876 348241486 /nfs/dbraw/zinc/24/14/86/348241486.db2.gz YKMYFOBQURNLPD-SNVBAGLBSA-N 1 2 241.294 2.706 20 30 BFEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000595412680 348241589 /nfs/dbraw/zinc/24/15/89/348241589.db2.gz RCXRCTNTMTZTPG-LSDHHAIUSA-N 1 2 226.323 2.983 20 30 BFEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000595412680 348241592 /nfs/dbraw/zinc/24/15/92/348241592.db2.gz RCXRCTNTMTZTPG-LSDHHAIUSA-N 1 2 226.323 2.983 20 30 BFEDLO CC1(C#N)C[NH+](CC[C@@H]2CCc3ccccc32)C1 ZINC000595467987 348258776 /nfs/dbraw/zinc/25/87/76/348258776.db2.gz WKNRPRDTLMJEFG-AWEZNQCLSA-N 1 2 240.350 2.952 20 30 BFEDLO C[C@H](C#N)[N@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000595710020 348321240 /nfs/dbraw/zinc/32/12/40/348321240.db2.gz LWXMUBIQQACXMG-NXEZZACHSA-N 1 2 228.286 2.798 20 30 BFEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000595710020 348321242 /nfs/dbraw/zinc/32/12/42/348321242.db2.gz LWXMUBIQQACXMG-NXEZZACHSA-N 1 2 228.286 2.798 20 30 BFEDLO C[C@@H](C#N)[N@H+](CC1CCCCC1)C1CC1 ZINC000595712832 348324608 /nfs/dbraw/zinc/32/46/08/348324608.db2.gz BIUVTCZCQIAGNF-NSHDSACASA-N 1 2 206.333 2.943 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CC1CCCCC1)C1CC1 ZINC000595712832 348324609 /nfs/dbraw/zinc/32/46/09/348324609.db2.gz BIUVTCZCQIAGNF-NSHDSACASA-N 1 2 206.333 2.943 20 30 BFEDLO C[C@H](C#N)[N@H+](CCC1CCCC1)C1CC1 ZINC000595721815 348327458 /nfs/dbraw/zinc/32/74/58/348327458.db2.gz WDDVIAJQIQSJAX-LLVKDONJSA-N 1 2 206.333 2.943 20 30 BFEDLO C[C@H](C#N)[N@@H+](CCC1CCCC1)C1CC1 ZINC000595721815 348327460 /nfs/dbraw/zinc/32/74/60/348327460.db2.gz WDDVIAJQIQSJAX-LLVKDONJSA-N 1 2 206.333 2.943 20 30 BFEDLO CC[N@H+](CCCc1cccc(OC)c1)[C@@H](C)C#N ZINC000595812425 348351615 /nfs/dbraw/zinc/35/16/15/348351615.db2.gz DUXMZUJVFKPGAH-ZDUSSCGKSA-N 1 2 246.354 2.862 20 30 BFEDLO CC[N@@H+](CCCc1cccc(OC)c1)[C@@H](C)C#N ZINC000595812425 348351617 /nfs/dbraw/zinc/35/16/17/348351617.db2.gz DUXMZUJVFKPGAH-ZDUSSCGKSA-N 1 2 246.354 2.862 20 30 BFEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2F)C1 ZINC000595834848 348367996 /nfs/dbraw/zinc/36/79/96/348367996.db2.gz MBFZXDYRJHKQMG-CYBMUJFWSA-N 1 2 218.275 2.561 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2F)C1 ZINC000595834848 348367999 /nfs/dbraw/zinc/36/79/99/348367999.db2.gz MBFZXDYRJHKQMG-CYBMUJFWSA-N 1 2 218.275 2.561 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(F)c2)C1 ZINC000595834277 348368136 /nfs/dbraw/zinc/36/81/36/348368136.db2.gz IKDODSLGPGLSHB-ZDUSSCGKSA-N 1 2 218.275 2.561 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000595834277 348368137 /nfs/dbraw/zinc/36/81/37/348368137.db2.gz IKDODSLGPGLSHB-ZDUSSCGKSA-N 1 2 218.275 2.561 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2F)C1 ZINC000595834849 348368266 /nfs/dbraw/zinc/36/82/66/348368266.db2.gz MBFZXDYRJHKQMG-ZDUSSCGKSA-N 1 2 218.275 2.561 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2F)C1 ZINC000595834849 348368270 /nfs/dbraw/zinc/36/82/70/348368270.db2.gz MBFZXDYRJHKQMG-ZDUSSCGKSA-N 1 2 218.275 2.561 20 30 BFEDLO Cc1cc(F)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844531 348381883 /nfs/dbraw/zinc/38/18/83/348381883.db2.gz UOZLYZRGHQCEBM-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cc(F)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844531 348381884 /nfs/dbraw/zinc/38/18/84/348381884.db2.gz UOZLYZRGHQCEBM-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO N#CC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000595882188 348388622 /nfs/dbraw/zinc/38/86/22/348388622.db2.gz YSTVVSMORBYYJZ-ZDUSSCGKSA-N 1 2 206.333 2.802 20 30 BFEDLO N#CC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000595882188 348388623 /nfs/dbraw/zinc/38/86/23/348388623.db2.gz YSTVVSMORBYYJZ-ZDUSSCGKSA-N 1 2 206.333 2.802 20 30 BFEDLO CC[N@H+](CCCc1ccccc1OC)[C@@H](C)C#N ZINC000595819821 348360432 /nfs/dbraw/zinc/36/04/32/348360432.db2.gz FKRIUNVXMMQRBJ-ZDUSSCGKSA-N 1 2 246.354 2.862 20 30 BFEDLO CC[N@@H+](CCCc1ccccc1OC)[C@@H](C)C#N ZINC000595819821 348360434 /nfs/dbraw/zinc/36/04/34/348360434.db2.gz FKRIUNVXMMQRBJ-ZDUSSCGKSA-N 1 2 246.354 2.862 20 30 BFEDLO CC[N@H+](CCCc1cccc(F)c1)[C@H](C)C#N ZINC000595820978 348362228 /nfs/dbraw/zinc/36/22/28/348362228.db2.gz RADFWHUXJGQJFX-GFCCVEGCSA-N 1 2 234.318 2.992 20 30 BFEDLO CC[N@@H+](CCCc1cccc(F)c1)[C@H](C)C#N ZINC000595820978 348362229 /nfs/dbraw/zinc/36/22/29/348362229.db2.gz RADFWHUXJGQJFX-GFCCVEGCSA-N 1 2 234.318 2.992 20 30 BFEDLO CC[C@@H](C)CCNc1cc(C)[nH+]cc1C#N ZINC000596415860 348539720 /nfs/dbraw/zinc/53/97/20/348539720.db2.gz OLLXLEMLPOQEOM-SNVBAGLBSA-N 1 2 217.316 2.532 20 30 BFEDLO Cc1cc(Cl)cc(C[NH+]2CC(CC#N)C2)c1 ZINC000597204535 348678335 /nfs/dbraw/zinc/67/83/35/348678335.db2.gz ZLVBVLVVGRKANH-UHFFFAOYSA-N 1 2 234.730 2.994 20 30 BFEDLO N#CCC1C[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000597204501 348678628 /nfs/dbraw/zinc/67/86/28/348678628.db2.gz YCCBCWJDSUFMGL-UPHRSURJSA-N 1 2 248.276 2.823 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000597230193 348697710 /nfs/dbraw/zinc/69/77/10/348697710.db2.gz GINFWOOJBPCUKN-HNNXBMFYSA-N 1 2 239.322 2.903 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000597230193 348697712 /nfs/dbraw/zinc/69/77/12/348697712.db2.gz GINFWOOJBPCUKN-HNNXBMFYSA-N 1 2 239.322 2.903 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000597230020 348697754 /nfs/dbraw/zinc/69/77/54/348697754.db2.gz DTBIVJFRFMIOMJ-AWEZNQCLSA-N 1 2 241.294 2.563 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000597230020 348697755 /nfs/dbraw/zinc/69/77/55/348697755.db2.gz DTBIVJFRFMIOMJ-AWEZNQCLSA-N 1 2 241.294 2.563 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230838 348698632 /nfs/dbraw/zinc/69/86/32/348698632.db2.gz JJSUAHQJVFBAGX-AWEZNQCLSA-N 1 2 246.358 2.508 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230838 348698633 /nfs/dbraw/zinc/69/86/33/348698633.db2.gz JJSUAHQJVFBAGX-AWEZNQCLSA-N 1 2 246.358 2.508 20 30 BFEDLO CCc1ncc(C[N@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000354025713 348977607 /nfs/dbraw/zinc/97/76/07/348977607.db2.gz IFMICFBCIOMPBF-JTQLQIEISA-N 1 2 249.383 2.830 20 30 BFEDLO CCc1ncc(C[N@@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000354025713 348977611 /nfs/dbraw/zinc/97/76/11/348977611.db2.gz IFMICFBCIOMPBF-JTQLQIEISA-N 1 2 249.383 2.830 20 30 BFEDLO CC#CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000159365228 350068973 /nfs/dbraw/zinc/06/89/73/350068973.db2.gz KABUMMBMBGJLPL-JTQLQIEISA-N 1 2 223.266 2.981 20 30 BFEDLO CC#CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000159365228 350068978 /nfs/dbraw/zinc/06/89/78/350068978.db2.gz KABUMMBMBGJLPL-JTQLQIEISA-N 1 2 223.266 2.981 20 30 BFEDLO C=CC[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000154774906 191078431 /nfs/dbraw/zinc/07/84/31/191078431.db2.gz IIIOMVJBUDLSDD-JTQLQIEISA-N 1 2 236.384 2.886 20 30 BFEDLO C=CC[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000154774906 191078433 /nfs/dbraw/zinc/07/84/33/191078433.db2.gz IIIOMVJBUDLSDD-JTQLQIEISA-N 1 2 236.384 2.886 20 30 BFEDLO CC(C)n1ccc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000227353764 350493750 /nfs/dbraw/zinc/49/37/50/350493750.db2.gz ZKXSUTIAOXSGKA-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO CC1(C#N)CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000227354377 350493955 /nfs/dbraw/zinc/49/39/55/350493955.db2.gz OHUYYZBGSUGFEL-TWGQIWQCSA-N 1 2 233.142 2.931 20 30 BFEDLO C=CCC[C@@H]([NH2+]Cc1nccn1C)c1ccco1 ZINC000428232590 191107234 /nfs/dbraw/zinc/10/72/34/191107234.db2.gz UZVLMSJEJGDFSO-GFCCVEGCSA-N 1 2 245.326 2.810 20 30 BFEDLO N#CC[N@H+](CCCCC1CCOCC1)C1CC1 ZINC000337121612 350557875 /nfs/dbraw/zinc/55/78/75/350557875.db2.gz ANECTFXLJJJXIN-UHFFFAOYSA-N 1 2 236.359 2.571 20 30 BFEDLO N#CC[N@@H+](CCCCC1CCOCC1)C1CC1 ZINC000337121612 350557877 /nfs/dbraw/zinc/55/78/77/350557877.db2.gz ANECTFXLJJJXIN-UHFFFAOYSA-N 1 2 236.359 2.571 20 30 BFEDLO C=C[C@H]([NH2+]CC[C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000304226591 350761825 /nfs/dbraw/zinc/76/18/25/350761825.db2.gz ZQVGXZJEOQOWLZ-XQQFMLRXSA-N 1 2 239.359 2.520 20 30 BFEDLO N#CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000052106068 350938249 /nfs/dbraw/zinc/93/82/49/350938249.db2.gz WMCQMUKXKROTQU-AWEZNQCLSA-N 1 2 214.312 2.607 20 30 BFEDLO N#CC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000052106068 350938250 /nfs/dbraw/zinc/93/82/50/350938250.db2.gz WMCQMUKXKROTQU-AWEZNQCLSA-N 1 2 214.312 2.607 20 30 BFEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)C(C)(F)F ZINC000389452282 350947308 /nfs/dbraw/zinc/94/73/08/350947308.db2.gz URBUPEORNQBGKC-SSDOTTSWSA-N 1 2 230.283 2.753 20 30 BFEDLO Cc1csc(C(C)(C)[NH2+]CC2(C#N)CC2)n1 ZINC000336700851 351044351 /nfs/dbraw/zinc/04/43/51/351044351.db2.gz NSAYXWNPWYNTQD-UHFFFAOYSA-N 1 2 235.356 2.580 20 30 BFEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052865400 351074269 /nfs/dbraw/zinc/07/42/69/351074269.db2.gz GAAIORFVQLMESE-HNNXBMFYSA-N 1 2 244.338 2.581 20 30 BFEDLO N#CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052865400 351074272 /nfs/dbraw/zinc/07/42/72/351074272.db2.gz GAAIORFVQLMESE-HNNXBMFYSA-N 1 2 244.338 2.581 20 30 BFEDLO C[N@H+](CC#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000272325660 351468530 /nfs/dbraw/zinc/46/85/30/351468530.db2.gz LVHRKHHGAJBIRX-KGLIPLIRSA-N 1 2 214.312 2.778 20 30 BFEDLO C[N@@H+](CC#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000272325660 351468533 /nfs/dbraw/zinc/46/85/33/351468533.db2.gz LVHRKHHGAJBIRX-KGLIPLIRSA-N 1 2 214.312 2.778 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000274304020 351566833 /nfs/dbraw/zinc/56/68/33/351566833.db2.gz RGUXDKCWQJMPLX-NQBHXWOUSA-N 1 2 232.327 2.994 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000274304020 351566838 /nfs/dbraw/zinc/56/68/38/351566838.db2.gz RGUXDKCWQJMPLX-NQBHXWOUSA-N 1 2 232.327 2.994 20 30 BFEDLO CC(C)=CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405055109 351556604 /nfs/dbraw/zinc/55/66/04/351556604.db2.gz MDIGDRUEDOHMQU-UHFFFAOYSA-N 1 2 212.296 2.840 20 30 BFEDLO CC(C)=CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405055109 351556607 /nfs/dbraw/zinc/55/66/07/351556607.db2.gz MDIGDRUEDOHMQU-UHFFFAOYSA-N 1 2 212.296 2.840 20 30 BFEDLO C=CCC[C@H]([NH2+]Cc1ncccn1)c1ccco1 ZINC000577651660 366032791 /nfs/dbraw/zinc/03/27/91/366032791.db2.gz MZCJUKSYBRACJC-LBPRGKRZSA-N 1 2 243.310 2.867 20 30 BFEDLO CCSCCC/[NH+]=C/c1cccc(O)c1O ZINC000283947156 351987498 /nfs/dbraw/zinc/98/74/98/351987498.db2.gz WMGXNTZLPJILER-UKTHLTGXSA-N 1 2 239.340 2.660 20 30 BFEDLO N#CCCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287397195 352124593 /nfs/dbraw/zinc/12/45/93/352124593.db2.gz NTSGAHDKJMHNBW-UHFFFAOYSA-N 1 2 220.703 2.959 20 30 BFEDLO N#CCCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287397195 352124594 /nfs/dbraw/zinc/12/45/94/352124594.db2.gz NTSGAHDKJMHNBW-UHFFFAOYSA-N 1 2 220.703 2.959 20 30 BFEDLO C=CC[N@H+](Cc1ccccc1)[C@H](CC)C(=O)OC ZINC000411138085 191162675 /nfs/dbraw/zinc/16/26/75/191162675.db2.gz VTGIGDITUMNGHY-CQSZACIVSA-N 1 2 247.338 2.626 20 30 BFEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](CC)C(=O)OC ZINC000411138085 191162678 /nfs/dbraw/zinc/16/26/78/191162678.db2.gz VTGIGDITUMNGHY-CQSZACIVSA-N 1 2 247.338 2.626 20 30 BFEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](CC)C(=O)OC ZINC000411138082 191163636 /nfs/dbraw/zinc/16/36/36/191163636.db2.gz VTGIGDITUMNGHY-AWEZNQCLSA-N 1 2 247.338 2.626 20 30 BFEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](CC)C(=O)OC ZINC000411138082 191163638 /nfs/dbraw/zinc/16/36/38/191163638.db2.gz VTGIGDITUMNGHY-AWEZNQCLSA-N 1 2 247.338 2.626 20 30 BFEDLO CCC[N@H+](CC(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000411228663 191171682 /nfs/dbraw/zinc/17/16/82/191171682.db2.gz RKYRQOGXXNTBRI-UWVGGRQHSA-N 1 2 216.275 2.656 20 30 BFEDLO CCC[N@@H+](CC(F)F)[C@H]1CC[C@H](C#N)C1 ZINC000411228663 191171685 /nfs/dbraw/zinc/17/16/85/191171685.db2.gz RKYRQOGXXNTBRI-UWVGGRQHSA-N 1 2 216.275 2.656 20 30 BFEDLO N#CCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000411461779 191187486 /nfs/dbraw/zinc/18/74/86/191187486.db2.gz PCTKUPKBULMARE-UHFFFAOYSA-N 1 2 220.703 2.832 20 30 BFEDLO C=C1CC[NH+](Cc2cn3cc(C)ccc3n2)CC1 ZINC000267629391 187914629 /nfs/dbraw/zinc/91/46/29/187914629.db2.gz NGHYCUGPFXWOBI-UHFFFAOYSA-N 1 2 241.338 2.795 20 30 BFEDLO C=CC[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000127146897 353263770 /nfs/dbraw/zinc/26/37/70/353263770.db2.gz NQSOOYLCSFJXIH-UHFFFAOYSA-N 1 2 208.330 2.638 20 30 BFEDLO C=CC[N@H+](C)Cc1csc(C2CC2)n1 ZINC000127146897 353263772 /nfs/dbraw/zinc/26/37/72/353263772.db2.gz NQSOOYLCSFJXIH-UHFFFAOYSA-N 1 2 208.330 2.638 20 30 BFEDLO N#Cc1ccc(CNc2cccc[nH+]2)c(F)c1 ZINC000083355236 188356940 /nfs/dbraw/zinc/35/69/40/188356940.db2.gz DAUIHDZUYVHKPM-UHFFFAOYSA-N 1 2 227.242 2.704 20 30 BFEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1nnc(C)s1 ZINC000274852606 188379175 /nfs/dbraw/zinc/37/91/75/188379175.db2.gz NADASQHKOJSUJM-SECBINFHSA-N 1 2 225.361 2.806 20 30 BFEDLO C=C(C)C[N@H+](CC)[C@H](C)c1nnc(C)s1 ZINC000274852606 188379178 /nfs/dbraw/zinc/37/91/78/188379178.db2.gz NADASQHKOJSUJM-SECBINFHSA-N 1 2 225.361 2.806 20 30 BFEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281347391 353435939 /nfs/dbraw/zinc/43/59/39/353435939.db2.gz KIMPKWWDFUJVNX-GFCCVEGCSA-N 1 2 239.750 2.700 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281347391 353435942 /nfs/dbraw/zinc/43/59/42/353435942.db2.gz KIMPKWWDFUJVNX-GFCCVEGCSA-N 1 2 239.750 2.700 20 30 BFEDLO CC(C)(C)C[N@H+](CCC#N)CC1(C#N)CC1 ZINC000343321937 353686146 /nfs/dbraw/zinc/68/61/46/353686146.db2.gz OWBWXCYIIWAUCR-UHFFFAOYSA-N 1 2 219.332 2.552 20 30 BFEDLO CC(C)(C)C[N@@H+](CCC#N)CC1(C#N)CC1 ZINC000343321937 353686149 /nfs/dbraw/zinc/68/61/49/353686149.db2.gz OWBWXCYIIWAUCR-UHFFFAOYSA-N 1 2 219.332 2.552 20 30 BFEDLO C#CC[N@@H+](Cc1conc1C)Cc1ccccc1 ZINC000293992966 353766667 /nfs/dbraw/zinc/76/66/67/353766667.db2.gz SEDVWOPZTJBMSD-UHFFFAOYSA-N 1 2 240.306 2.618 20 30 BFEDLO C#CC[N@H+](Cc1conc1C)Cc1ccccc1 ZINC000293992966 353766668 /nfs/dbraw/zinc/76/66/68/353766668.db2.gz SEDVWOPZTJBMSD-UHFFFAOYSA-N 1 2 240.306 2.618 20 30 BFEDLO CC#CC[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000293050863 353737029 /nfs/dbraw/zinc/73/70/29/353737029.db2.gz HUPXVHMRUSSEAI-NSHDSACASA-N 1 2 234.343 2.988 20 30 BFEDLO CC#CC[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000293050863 353737031 /nfs/dbraw/zinc/73/70/31/353737031.db2.gz HUPXVHMRUSSEAI-NSHDSACASA-N 1 2 234.343 2.988 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848622 353818122 /nfs/dbraw/zinc/81/81/22/353818122.db2.gz IPTBJJKTVKDUQE-AWEZNQCLSA-N 1 2 235.302 2.775 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848622 353818123 /nfs/dbraw/zinc/81/81/23/353818123.db2.gz IPTBJJKTVKDUQE-AWEZNQCLSA-N 1 2 235.302 2.775 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000343509102 353923276 /nfs/dbraw/zinc/92/32/76/353923276.db2.gz JJCMNVFEPUEOTP-NSHDSACASA-N 1 2 234.347 2.506 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000343509102 353923278 /nfs/dbraw/zinc/92/32/78/353923278.db2.gz JJCMNVFEPUEOTP-NSHDSACASA-N 1 2 234.347 2.506 20 30 BFEDLO CC[N@@H+](Cc1cn(C(C)C)nc1C)C[C@@H](C)C#N ZINC000343592367 353942519 /nfs/dbraw/zinc/94/25/19/353942519.db2.gz IHOVODNVRBERCF-LBPRGKRZSA-N 1 2 248.374 2.754 20 30 BFEDLO CC[N@H+](Cc1cn(C(C)C)nc1C)C[C@@H](C)C#N ZINC000343592367 353942522 /nfs/dbraw/zinc/94/25/22/353942522.db2.gz IHOVODNVRBERCF-LBPRGKRZSA-N 1 2 248.374 2.754 20 30 BFEDLO N#Cc1ccc(C[NH+]2Cc3ccccc3C2)o1 ZINC000119954754 181105414 /nfs/dbraw/zinc/10/54/14/181105414.db2.gz DJXFHSMBEHAYJU-UHFFFAOYSA-N 1 2 224.263 2.667 20 30 BFEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC12CCC2 ZINC000335858315 181113782 /nfs/dbraw/zinc/11/37/82/181113782.db2.gz MXYRHSXMORPFSN-UHFFFAOYSA-N 1 2 230.286 2.826 20 30 BFEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC12CCC2 ZINC000335858315 181113784 /nfs/dbraw/zinc/11/37/84/181113784.db2.gz MXYRHSXMORPFSN-UHFFFAOYSA-N 1 2 230.286 2.826 20 30 BFEDLO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC#N)cc1 ZINC000113263909 354392811 /nfs/dbraw/zinc/39/28/11/354392811.db2.gz HHWMSCOANOBQQN-AWEZNQCLSA-N 1 2 214.312 2.526 20 30 BFEDLO Cc1ccc(C[C@@H]2CCC[N@H+]2CC#N)cc1 ZINC000113263909 354392814 /nfs/dbraw/zinc/39/28/14/354392814.db2.gz HHWMSCOANOBQQN-AWEZNQCLSA-N 1 2 214.312 2.526 20 30 BFEDLO N#C[C@H]1[N@H+](CCC2CC2)CCC[C@]12CCCCO2 ZINC000334622447 354360744 /nfs/dbraw/zinc/36/07/44/354360744.db2.gz ZQBUYHRKDCSHOM-HUUCEWRRSA-N 1 2 248.370 2.714 20 30 BFEDLO N#C[C@H]1[N@@H+](CCC2CC2)CCC[C@]12CCCCO2 ZINC000334622447 354360746 /nfs/dbraw/zinc/36/07/46/354360746.db2.gz ZQBUYHRKDCSHOM-HUUCEWRRSA-N 1 2 248.370 2.714 20 30 BFEDLO C=C[C@@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000335164672 354920727 /nfs/dbraw/zinc/92/07/27/354920727.db2.gz HPHKDBDUOKUKKV-GFCCVEGCSA-N 1 2 229.327 2.899 20 30 BFEDLO CC(C)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000335243795 355181353 /nfs/dbraw/zinc/18/13/53/355181353.db2.gz HAHKEIHQNMTJPK-KBPBESRZSA-N 1 2 236.359 2.570 20 30 BFEDLO CC(C)C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000335243795 355181355 /nfs/dbraw/zinc/18/13/55/355181355.db2.gz HAHKEIHQNMTJPK-KBPBESRZSA-N 1 2 236.359 2.570 20 30 BFEDLO Cc1cccc2[nH+]c(CSCCC#N)cn21 ZINC000413011120 191339447 /nfs/dbraw/zinc/33/94/47/191339447.db2.gz INSDEIVJXJDHRZ-UHFFFAOYSA-N 1 2 231.324 2.790 20 30 BFEDLO CC[N@@H+](C/C=C\c1ccccc1OC)CCC#N ZINC000349837513 355491233 /nfs/dbraw/zinc/49/12/33/355491233.db2.gz FOONAAJGPNNPBN-TWGQIWQCSA-N 1 2 244.338 2.944 20 30 BFEDLO CC[N@H+](C/C=C\c1ccccc1OC)CCC#N ZINC000349837513 355491237 /nfs/dbraw/zinc/49/12/37/355491237.db2.gz FOONAAJGPNNPBN-TWGQIWQCSA-N 1 2 244.338 2.944 20 30 BFEDLO Cc1ccc2c(c1)C[N@@H+](CC1(C#N)CC1)C2 ZINC000335826317 355551192 /nfs/dbraw/zinc/55/11/92/355551192.db2.gz JCRLCGZOLCIDJO-UHFFFAOYSA-N 1 2 212.296 2.614 20 30 BFEDLO Cc1ccc2c(c1)C[N@H+](CC1(C#N)CC1)C2 ZINC000335826317 355551195 /nfs/dbraw/zinc/55/11/95/355551195.db2.gz JCRLCGZOLCIDJO-UHFFFAOYSA-N 1 2 212.296 2.614 20 30 BFEDLO COc1ccc(F)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000335851335 355594881 /nfs/dbraw/zinc/59/48/81/355594881.db2.gz XEOWORJEHISOQV-UHFFFAOYSA-N 1 2 248.301 2.570 20 30 BFEDLO O=C(C[C@@H]1C=CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329536939 355929224 /nfs/dbraw/zinc/92/92/24/355929224.db2.gz BHMCSJSBIAEFCN-MNOVXSKESA-N 1 2 245.326 2.580 20 30 BFEDLO O=C(C[C@@H]1C=CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329536939 355929228 /nfs/dbraw/zinc/92/92/28/355929228.db2.gz BHMCSJSBIAEFCN-MNOVXSKESA-N 1 2 245.326 2.580 20 30 BFEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329644891 355974275 /nfs/dbraw/zinc/97/42/75/355974275.db2.gz DHVCPEBILFHTRT-VWYCJHECSA-N 1 2 247.342 2.516 20 30 BFEDLO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329644891 355974279 /nfs/dbraw/zinc/97/42/79/355974279.db2.gz DHVCPEBILFHTRT-VWYCJHECSA-N 1 2 247.342 2.516 20 30 BFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1CF ZINC000336119877 134090083 /nfs/dbraw/zinc/09/00/83/134090083.db2.gz VCQYQXVJXIJFHS-NSHDSACASA-N 1 2 236.265 2.631 20 30 BFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1CF ZINC000336119877 134090084 /nfs/dbraw/zinc/09/00/84/134090084.db2.gz VCQYQXVJXIJFHS-NSHDSACASA-N 1 2 236.265 2.631 20 30 BFEDLO C#CC(C)(C)[N@H+](C)C/C(Cl)=C\Cl ZINC000379335552 356446943 /nfs/dbraw/zinc/44/69/43/356446943.db2.gz OTNMZNSRNGPJBD-SOFGYWHQSA-N 1 2 206.116 2.649 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)C/C(Cl)=C\Cl ZINC000379335552 356446947 /nfs/dbraw/zinc/44/69/47/356446947.db2.gz OTNMZNSRNGPJBD-SOFGYWHQSA-N 1 2 206.116 2.649 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000639616360 356534323 /nfs/dbraw/zinc/53/43/23/356534323.db2.gz FXYKTXWRSBZLNY-LBPRGKRZSA-N 1 2 247.342 2.563 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CC2CC2)no1 ZINC000639616360 356534324 /nfs/dbraw/zinc/53/43/24/356534324.db2.gz FXYKTXWRSBZLNY-LBPRGKRZSA-N 1 2 247.342 2.563 20 30 BFEDLO C[C@@]1(F)CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000336215489 134136601 /nfs/dbraw/zinc/13/66/01/134136601.db2.gz RWEDUHFIWJQJJN-GFCCVEGCSA-N 1 2 238.331 2.944 20 30 BFEDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000336215489 134136602 /nfs/dbraw/zinc/13/66/02/134136602.db2.gz RWEDUHFIWJQJJN-GFCCVEGCSA-N 1 2 238.331 2.944 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccsc1Cl ZINC000388885741 363530231 /nfs/dbraw/zinc/53/02/31/363530231.db2.gz JYENGXXSPPPPNQ-SSDOTTSWSA-N 1 2 214.721 2.793 20 30 BFEDLO CC1CCC(C[N@H+](CC#N)C2CC2)CC1 ZINC000352730818 134151716 /nfs/dbraw/zinc/15/17/16/134151716.db2.gz GBQJLVTWFMLZBP-UHFFFAOYSA-N 1 2 206.333 2.801 20 30 BFEDLO CC1CCC(C[N@@H+](CC#N)C2CC2)CC1 ZINC000352730818 134151717 /nfs/dbraw/zinc/15/17/17/134151717.db2.gz GBQJLVTWFMLZBP-UHFFFAOYSA-N 1 2 206.333 2.801 20 30 BFEDLO N#CC[N@H+](C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000352741530 134151852 /nfs/dbraw/zinc/15/18/52/134151852.db2.gz HGQXNSMTLPKNKB-HIFRSBDPSA-N 1 2 226.323 2.778 20 30 BFEDLO N#CC[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000352741530 134151853 /nfs/dbraw/zinc/15/18/53/134151853.db2.gz HGQXNSMTLPKNKB-HIFRSBDPSA-N 1 2 226.323 2.778 20 30 BFEDLO C=CCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000301185723 134156369 /nfs/dbraw/zinc/15/63/69/134156369.db2.gz UNSYDQMNUBNFIP-UHFFFAOYSA-N 1 2 240.310 2.699 20 30 BFEDLO C=CC[N@@H+](C)Cc1ncc(CSC)s1 ZINC000352974360 134158688 /nfs/dbraw/zinc/15/86/88/134158688.db2.gz PUOPAVSVCJZZCF-UHFFFAOYSA-N 1 2 228.386 2.624 20 30 BFEDLO C=CC[N@H+](C)Cc1ncc(CSC)s1 ZINC000352974360 134158689 /nfs/dbraw/zinc/15/86/89/134158689.db2.gz PUOPAVSVCJZZCF-UHFFFAOYSA-N 1 2 228.386 2.624 20 30 BFEDLO Cc1[nH+]cccc1N[C@H]1CCC[C@H](C#N)C1 ZINC000193102255 356698452 /nfs/dbraw/zinc/69/84/52/356698452.db2.gz BKCSUHOCYOSZCF-RYUDHWBXSA-N 1 2 215.300 2.884 20 30 BFEDLO Cc1c[nH+]cc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000193102410 356698641 /nfs/dbraw/zinc/69/86/41/356698641.db2.gz HMNDHEJLWMHQQF-NEPJUHHUSA-N 1 2 215.300 2.884 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000354025350 134166360 /nfs/dbraw/zinc/16/63/60/134166360.db2.gz CEXJPQCFSPJAFS-JTQLQIEISA-N 1 2 245.351 2.744 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000354025350 134166361 /nfs/dbraw/zinc/16/63/61/134166361.db2.gz CEXJPQCFSPJAFS-JTQLQIEISA-N 1 2 245.351 2.744 20 30 BFEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000357551630 134184088 /nfs/dbraw/zinc/18/40/88/134184088.db2.gz KBUBDIPJNZBIJT-UHFFFAOYSA-N 1 2 235.331 2.518 20 30 BFEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)no1)C1CC1 ZINC000357551630 134184089 /nfs/dbraw/zinc/18/40/89/134184089.db2.gz KBUBDIPJNZBIJT-UHFFFAOYSA-N 1 2 235.331 2.518 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccc(F)cc2o1 ZINC000582913549 357435346 /nfs/dbraw/zinc/43/53/46/357435346.db2.gz MDULYEBRDQYGON-SNVBAGLBSA-N 1 2 247.273 2.749 20 30 BFEDLO COC(C)(C)CC[N@H+](CC#N)C1CCCC1 ZINC000230415633 357523220 /nfs/dbraw/zinc/52/32/20/357523220.db2.gz WTBKFXZUKOPTHH-UHFFFAOYSA-N 1 2 224.348 2.570 20 30 BFEDLO COC(C)(C)CC[N@@H+](CC#N)C1CCCC1 ZINC000230415633 357523222 /nfs/dbraw/zinc/52/32/22/357523222.db2.gz WTBKFXZUKOPTHH-UHFFFAOYSA-N 1 2 224.348 2.570 20 30 BFEDLO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CC#N ZINC000362396656 134211119 /nfs/dbraw/zinc/21/11/19/134211119.db2.gz CFERKHMWQJABHA-CQSZACIVSA-N 1 2 234.318 2.848 20 30 BFEDLO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC#N ZINC000362396656 134211120 /nfs/dbraw/zinc/21/11/20/134211120.db2.gz CFERKHMWQJABHA-CQSZACIVSA-N 1 2 234.318 2.848 20 30 BFEDLO Cn1cc[nH+]c1CNc1ccc(Cl)c(C#N)c1 ZINC000051921990 358100743 /nfs/dbraw/zinc/10/07/43/358100743.db2.gz WRMDQVYHZBTDAW-UHFFFAOYSA-N 1 2 246.701 2.557 20 30 BFEDLO C=CC(C)(C)CNc1cc[nH+]c2ccncc12 ZINC000450731590 202248941 /nfs/dbraw/zinc/24/89/41/202248941.db2.gz ZGFOHKJQVGMVIT-UHFFFAOYSA-N 1 2 227.311 2.676 20 30 BFEDLO C=C(C)CC[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000450714971 202241271 /nfs/dbraw/zinc/24/12/71/202241271.db2.gz MNYPVSKNWIDVRX-UHFFFAOYSA-N 1 2 233.290 2.512 20 30 BFEDLO C=CC(C)(C)CNc1cc[nH+]c(C(C)C)n1 ZINC000450724189 202246420 /nfs/dbraw/zinc/24/64/20/202246420.db2.gz MGCLKNSUJZIDTR-UHFFFAOYSA-N 1 2 219.332 2.646 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000227018570 358347654 /nfs/dbraw/zinc/34/76/54/358347654.db2.gz DAUSLVUNLPQLAL-SCVCMEIPSA-N 1 2 218.300 2.652 20 30 BFEDLO CCc1ccc(C[N@H+](C)C[C@@H](C)C#N)s1 ZINC000042461012 358350012 /nfs/dbraw/zinc/35/00/12/358350012.db2.gz SACZHCFUJVBRGA-JTQLQIEISA-N 1 2 222.357 2.902 20 30 BFEDLO CCc1ccc(C[N@@H+](C)C[C@@H](C)C#N)s1 ZINC000042461012 358350014 /nfs/dbraw/zinc/35/00/14/358350014.db2.gz SACZHCFUJVBRGA-JTQLQIEISA-N 1 2 222.357 2.902 20 30 BFEDLO C#CC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000173816700 134277963 /nfs/dbraw/zinc/27/79/63/134277963.db2.gz WGHPQXTZHDZFMH-LLVKDONJSA-N 1 2 226.279 2.625 20 30 BFEDLO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1C ZINC000125579168 358541706 /nfs/dbraw/zinc/54/17/06/358541706.db2.gz USBLDWHNKLDOFN-CQSZACIVSA-N 1 2 247.338 2.717 20 30 BFEDLO C=C(C)C[N@H+](C)[C@@H](C(=O)OC)c1ccccc1C ZINC000125579168 358541709 /nfs/dbraw/zinc/54/17/09/358541709.db2.gz USBLDWHNKLDOFN-CQSZACIVSA-N 1 2 247.338 2.717 20 30 BFEDLO C=CCC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000130252142 358615206 /nfs/dbraw/zinc/61/52/06/358615206.db2.gz BZQVUZSXMFYEIF-OCCSQVGLSA-N 1 2 247.338 2.845 20 30 BFEDLO C=CCCCCCN(C)c1cc(C)[nH+]cn1 ZINC000131741153 358692012 /nfs/dbraw/zinc/69/20/12/358692012.db2.gz TZHLJRSQTGMDRG-UHFFFAOYSA-N 1 2 219.332 2.968 20 30 BFEDLO C[C@@H]([NH2+][C@H](C#N)Cc1ccccc1)C1CCC1 ZINC000611113214 358748061 /nfs/dbraw/zinc/74/80/61/358748061.db2.gz RGRQCUZUOFXHHW-DOMZBBRYSA-N 1 2 228.339 2.899 20 30 BFEDLO CC[N@H+](CC#Cc1ccccc1)C[C@H](C)C#N ZINC000051814460 358763538 /nfs/dbraw/zinc/76/35/38/358763538.db2.gz KAQIHTPZYNTYGM-CQSZACIVSA-N 1 2 226.323 2.520 20 30 BFEDLO CC[N@@H+](CC#Cc1ccccc1)C[C@H](C)C#N ZINC000051814460 358763540 /nfs/dbraw/zinc/76/35/40/358763540.db2.gz KAQIHTPZYNTYGM-CQSZACIVSA-N 1 2 226.323 2.520 20 30 BFEDLO N#CC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000135358872 358833580 /nfs/dbraw/zinc/83/35/80/358833580.db2.gz KWDOFNSLZNVJRL-OAHLLOKOSA-N 1 2 228.339 2.997 20 30 BFEDLO N#CC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000135358872 358833584 /nfs/dbraw/zinc/83/35/84/358833584.db2.gz KWDOFNSLZNVJRL-OAHLLOKOSA-N 1 2 228.339 2.997 20 30 BFEDLO C=CC[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246722375 359158915 /nfs/dbraw/zinc/15/89/15/359158915.db2.gz LSIKAYSPRJMINA-RISCZKNCSA-N 1 2 235.302 2.774 20 30 BFEDLO C=CC[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246722375 359158921 /nfs/dbraw/zinc/15/89/21/359158921.db2.gz LSIKAYSPRJMINA-RISCZKNCSA-N 1 2 235.302 2.774 20 30 BFEDLO CC[N@@H+](Cc1[nH]nc2ccccc21)C[C@H](C)C#N ZINC000611261119 359276236 /nfs/dbraw/zinc/27/62/36/359276236.db2.gz UFUABLSWXVJBFX-LLVKDONJSA-N 1 2 242.326 2.544 20 30 BFEDLO CC[N@H+](Cc1[nH]nc2ccccc21)C[C@H](C)C#N ZINC000611261119 359276239 /nfs/dbraw/zinc/27/62/39/359276239.db2.gz UFUABLSWXVJBFX-LLVKDONJSA-N 1 2 242.326 2.544 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611259164 359276971 /nfs/dbraw/zinc/27/69/71/359276971.db2.gz IGJVQRBVYKYTFJ-UHFFFAOYSA-N 1 2 242.326 2.687 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611259164 359276973 /nfs/dbraw/zinc/27/69/73/359276973.db2.gz IGJVQRBVYKYTFJ-UHFFFAOYSA-N 1 2 242.326 2.687 20 30 BFEDLO C[C@H]([NH2+]Cc1cocn1)c1ccc(C#N)c(F)c1 ZINC000611473876 359377683 /nfs/dbraw/zinc/37/76/83/359377683.db2.gz AHDNEFJHNJVYHX-VIFPVBQESA-N 1 2 245.257 2.536 20 30 BFEDLO Cc1ccncc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159618 359708151 /nfs/dbraw/zinc/70/81/51/359708151.db2.gz DAOCHOWKLWBHMX-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccncc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612159618 359708156 /nfs/dbraw/zinc/70/81/56/359708156.db2.gz DAOCHOWKLWBHMX-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO CC(C)n1cc[nH+]c1CN1CCC[C@](C)(C#N)C1 ZINC000612163678 359715711 /nfs/dbraw/zinc/71/57/11/359715711.db2.gz WALYZZMNIUXMEY-CQSZACIVSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)n1cc[nH+]c1CN1CCC[C@@](C)(C#N)C1 ZINC000612163677 359715942 /nfs/dbraw/zinc/71/59/42/359715942.db2.gz WALYZZMNIUXMEY-AWEZNQCLSA-N 1 2 246.358 2.590 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000450883641 202297577 /nfs/dbraw/zinc/29/75/77/202297577.db2.gz QLMFOQTZYUAOMG-NSHDSACASA-N 1 2 249.383 2.956 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000450883641 202297579 /nfs/dbraw/zinc/29/75/79/202297579.db2.gz QLMFOQTZYUAOMG-NSHDSACASA-N 1 2 249.383 2.956 20 30 BFEDLO COc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406046 359833693 /nfs/dbraw/zinc/83/36/93/359833693.db2.gz GWWKWCNANJQFBC-OAHLLOKOSA-N 1 2 244.338 2.821 20 30 BFEDLO COc1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406046 359833698 /nfs/dbraw/zinc/83/36/98/359833698.db2.gz GWWKWCNANJQFBC-OAHLLOKOSA-N 1 2 244.338 2.821 20 30 BFEDLO CC(C)n1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612405821 359832295 /nfs/dbraw/zinc/83/22/95/359832295.db2.gz DFXCKIBSZAZRSV-AWEZNQCLSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)n1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612405821 359832300 /nfs/dbraw/zinc/83/23/00/359832300.db2.gz DFXCKIBSZAZRSV-AWEZNQCLSA-N 1 2 246.358 2.590 20 30 BFEDLO CCOc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000093090381 360217188 /nfs/dbraw/zinc/21/71/88/360217188.db2.gz OCKRJDUDVAIBMV-LBPRGKRZSA-N 1 2 232.327 2.819 20 30 BFEDLO CCOc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000093090381 360217191 /nfs/dbraw/zinc/21/71/91/360217191.db2.gz OCKRJDUDVAIBMV-LBPRGKRZSA-N 1 2 232.327 2.819 20 30 BFEDLO Cc1ncccc1C[N@H+](CCC#N)CC1CC1 ZINC000093091556 360218790 /nfs/dbraw/zinc/21/87/90/360218790.db2.gz MHEJKEYAIQTZAA-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ncccc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091556 360218794 /nfs/dbraw/zinc/21/87/94/360218794.db2.gz MHEJKEYAIQTZAA-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO N#CCC[N@@H+](Cc1cc(C#N)cs1)CC1CC1 ZINC000093091563 360218960 /nfs/dbraw/zinc/21/89/60/360218960.db2.gz WBANBEDTVDUDTM-UHFFFAOYSA-N 1 2 245.351 2.745 20 30 BFEDLO N#CCC[N@H+](Cc1cc(C#N)cs1)CC1CC1 ZINC000093091563 360218963 /nfs/dbraw/zinc/21/89/63/360218963.db2.gz WBANBEDTVDUDTM-UHFFFAOYSA-N 1 2 245.351 2.745 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc(CC#N)cc1 ZINC000428856826 201046542 /nfs/dbraw/zinc/04/65/42/201046542.db2.gz OATMPOSGEQWZEF-UHFFFAOYSA-N 1 2 239.322 2.654 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(CC#N)cc1 ZINC000428856826 201046544 /nfs/dbraw/zinc/04/65/44/201046544.db2.gz OATMPOSGEQWZEF-UHFFFAOYSA-N 1 2 239.322 2.654 20 30 BFEDLO CCCc1nc(C)c(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000433307327 201180478 /nfs/dbraw/zinc/18/04/78/201180478.db2.gz UNEFPFLHCYTALP-UHFFFAOYSA-N 1 2 249.358 2.917 20 30 BFEDLO CCCc1nc(C)c(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000433307327 201180481 /nfs/dbraw/zinc/18/04/81/201180481.db2.gz UNEFPFLHCYTALP-UHFFFAOYSA-N 1 2 249.358 2.917 20 30 BFEDLO C[N@H+](CC#Cc1ccc(F)cc1)CC(C)(C)C#N ZINC000433318046 201182796 /nfs/dbraw/zinc/18/27/96/201182796.db2.gz MVZZNTSSPIFNMV-UHFFFAOYSA-N 1 2 244.313 2.659 20 30 BFEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CC(C)(C)C#N ZINC000433318046 201182800 /nfs/dbraw/zinc/18/28/00/201182800.db2.gz MVZZNTSSPIFNMV-UHFFFAOYSA-N 1 2 244.313 2.659 20 30 BFEDLO C=CC1CCN(c2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000433780552 201193949 /nfs/dbraw/zinc/19/39/49/201193949.db2.gz TUAKJDUJXSRVCG-UHFFFAOYSA-N 1 2 242.326 2.669 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437596119 201361027 /nfs/dbraw/zinc/36/10/27/201361027.db2.gz VDBUEMYLDKAQBV-SNVBAGLBSA-N 1 2 245.301 2.898 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437596119 201361030 /nfs/dbraw/zinc/36/10/30/201361030.db2.gz VDBUEMYLDKAQBV-SNVBAGLBSA-N 1 2 245.301 2.898 20 30 BFEDLO 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N#C[C@]1(F)CC[N@H+](CCCCc2ccccc2)C1 ZINC000615637707 368160003 /nfs/dbraw/zinc/16/00/03/368160003.db2.gz BVZNVDKIZKQLFH-OAHLLOKOSA-N 1 2 246.329 2.947 20 30 BFEDLO N#C[C@]1(F)CC[N@@H+](CCCCc2ccccc2)C1 ZINC000615637707 368160007 /nfs/dbraw/zinc/16/00/07/368160007.db2.gz BVZNVDKIZKQLFH-OAHLLOKOSA-N 1 2 246.329 2.947 20 30 BFEDLO C[C@@H](C[N@@H+]1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000615638541 368175039 /nfs/dbraw/zinc/17/50/39/368175039.db2.gz HXCHUTRUPWCANT-GXTWGEPZSA-N 1 2 232.302 2.728 20 30 BFEDLO C[C@@H](C[N@H+]1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000615638541 368175045 /nfs/dbraw/zinc/17/50/45/368175045.db2.gz HXCHUTRUPWCANT-GXTWGEPZSA-N 1 2 232.302 2.728 20 30 BFEDLO C=CCCC[C@H](C)[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615637262 368144219 /nfs/dbraw/zinc/14/42/19/368144219.db2.gz GTVMPNCCVUTOAQ-RYUDHWBXSA-N 1 2 210.296 2.669 20 30 BFEDLO C=CCCC[C@H](C)[N@H+]1CC[C@](F)(C#N)C1 ZINC000615637262 368144225 /nfs/dbraw/zinc/14/42/25/368144225.db2.gz GTVMPNCCVUTOAQ-RYUDHWBXSA-N 1 2 210.296 2.669 20 30 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N#CC[N@H+](CC1CCC(F)(F)CC1)C1CC1 ZINC000459324913 203256732 /nfs/dbraw/zinc/25/67/32/203256732.db2.gz LLOCBCNSJKJQPU-UHFFFAOYSA-N 1 2 228.286 2.800 20 30 BFEDLO C[C@H](C#N)CN(C)c1cc[nH+]c2c(O)cccc12 ZINC000619476186 369395515 /nfs/dbraw/zinc/39/55/15/369395515.db2.gz NKIHMVVKXLTUEF-SNVBAGLBSA-N 1 2 241.294 2.536 20 30 BFEDLO C[C@@H](C#N)CN(C)c1cc[nH+]c2c(O)cccc12 ZINC000619476185 369395588 /nfs/dbraw/zinc/39/55/88/369395588.db2.gz NKIHMVVKXLTUEF-JTQLQIEISA-N 1 2 241.294 2.536 20 30 BFEDLO N#Cc1cccc2c1C[N@H+](CCCCF)C2 ZINC000405056827 369443483 /nfs/dbraw/zinc/44/34/83/369443483.db2.gz NPSGKDSYVUOISH-UHFFFAOYSA-N 1 2 218.275 2.624 20 30 BFEDLO N#Cc1cccc2c1C[N@@H+](CCCCF)C2 ZINC000405056827 369443486 /nfs/dbraw/zinc/44/34/86/369443486.db2.gz NPSGKDSYVUOISH-UHFFFAOYSA-N 1 2 218.275 2.624 20 30 BFEDLO CCSCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405066629 369443579 /nfs/dbraw/zinc/44/35/79/369443579.db2.gz XUKAAGJCTNJARQ-UHFFFAOYSA-N 1 2 232.352 2.627 20 30 BFEDLO CCSCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405066629 369443581 /nfs/dbraw/zinc/44/35/81/369443581.db2.gz XUKAAGJCTNJARQ-UHFFFAOYSA-N 1 2 232.352 2.627 20 30 BFEDLO C[C@@H](c1ccncc1)[N@H+](C)CC(C)(C)C#N ZINC000405181606 369448444 /nfs/dbraw/zinc/44/84/44/369448444.db2.gz WWGVTOQKFJHHOD-NSHDSACASA-N 1 2 217.316 2.624 20 30 BFEDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(C)(C)C#N ZINC000405181606 369448445 /nfs/dbraw/zinc/44/84/45/369448445.db2.gz WWGVTOQKFJHHOD-NSHDSACASA-N 1 2 217.316 2.624 20 30 BFEDLO CC(C)C[C@H](C)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000619621572 369497598 /nfs/dbraw/zinc/49/75/98/369497598.db2.gz HKZOTDRCKDLSNG-RYUDHWBXSA-N 1 2 212.312 2.606 20 30 BFEDLO CC(C)C[C@H](C)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000619621572 369497601 /nfs/dbraw/zinc/49/76/01/369497601.db2.gz HKZOTDRCKDLSNG-RYUDHWBXSA-N 1 2 212.312 2.606 20 30 BFEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@H]1CCCC)C(=O)OC ZINC000619721122 369551608 /nfs/dbraw/zinc/55/16/08/369551608.db2.gz UNQAOBHHBGDDQG-FRRDWIJNSA-N 1 2 239.359 2.663 20 30 BFEDLO 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C[C@H](c1ccco1)[N@@H+](CCC#N)C1CC1 ZINC000088549428 383908656 /nfs/dbraw/zinc/90/86/56/383908656.db2.gz CEJYENJOXYPJDC-SNVBAGLBSA-N 1 2 204.273 2.719 20 30 BFEDLO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(F)cc1C#N ZINC000334495095 383910074 /nfs/dbraw/zinc/91/00/74/383910074.db2.gz BXMZUWMMRWISFV-UWVGGRQHSA-N 1 2 218.275 2.680 20 30 BFEDLO CC[N@@H+](Cc1ccc(Cl)cn1)C[C@@H](C)C#N ZINC000558408808 383990257 /nfs/dbraw/zinc/99/02/57/383990257.db2.gz URWXHHVUBKNFDG-JTQLQIEISA-N 1 2 237.734 2.717 20 30 BFEDLO CC[N@H+](Cc1ccc(Cl)cn1)C[C@@H](C)C#N ZINC000558408808 383990265 /nfs/dbraw/zinc/99/02/65/383990265.db2.gz URWXHHVUBKNFDG-JTQLQIEISA-N 1 2 237.734 2.717 20 30 BFEDLO CN(Cc1ccc(C#N)cc1)c1cccc[nH+]1 ZINC000048558191 383939283 /nfs/dbraw/zinc/93/92/83/383939283.db2.gz XLSUZJQBONNHNN-UHFFFAOYSA-N 1 2 223.279 2.590 20 30 BFEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116896570 383950103 /nfs/dbraw/zinc/95/01/03/383950103.db2.gz GBZKOUDXNUMLLG-LBPRGKRZSA-N 1 2 221.300 2.537 20 30 BFEDLO C=C(C)C[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116896570 383950107 /nfs/dbraw/zinc/95/01/07/383950107.db2.gz GBZKOUDXNUMLLG-LBPRGKRZSA-N 1 2 221.300 2.537 20 30 BFEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116896572 383951908 /nfs/dbraw/zinc/95/19/08/383951908.db2.gz GBZKOUDXNUMLLG-GFCCVEGCSA-N 1 2 221.300 2.537 20 30 BFEDLO C=C(C)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116896572 383951913 /nfs/dbraw/zinc/95/19/13/383951913.db2.gz GBZKOUDXNUMLLG-GFCCVEGCSA-N 1 2 221.300 2.537 20 30 BFEDLO Cc1c[nH+]ccc1NC(=O)c1sccc1C#N ZINC000107291580 383952028 /nfs/dbraw/zinc/95/20/28/383952028.db2.gz FTKJJXIPTSCJOK-UHFFFAOYSA-N 1 2 243.291 2.576 20 30 BFEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@H]1C ZINC000334919082 383975295 /nfs/dbraw/zinc/97/52/95/383975295.db2.gz CLPHVRPZYJYULR-UWVGGRQHSA-N 1 2 218.275 2.538 20 30 BFEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1C ZINC000334919082 383975302 /nfs/dbraw/zinc/97/53/02/383975302.db2.gz CLPHVRPZYJYULR-UWVGGRQHSA-N 1 2 218.275 2.538 20 30 BFEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2CCC#N)cc1 ZINC000116325399 384128291 /nfs/dbraw/zinc/12/82/91/384128291.db2.gz VDEDXVYZXAMTHO-AWEZNQCLSA-N 1 2 246.379 2.999 20 30 BFEDLO Cc1ccc([C@@H]2CSCC[N@H+]2CCC#N)cc1 ZINC000116325399 384128297 /nfs/dbraw/zinc/12/82/97/384128297.db2.gz VDEDXVYZXAMTHO-AWEZNQCLSA-N 1 2 246.379 2.999 20 30 BFEDLO CC[C@H]1CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000336542677 384232242 /nfs/dbraw/zinc/23/22/42/384232242.db2.gz VAWAVBLIXVLMJD-NSHDSACASA-N 1 2 218.275 2.682 20 30 BFEDLO CC[C@H]1CC[N@H+]1Cc1cccc(F)c1C#N ZINC000336542677 384232246 /nfs/dbraw/zinc/23/22/46/384232246.db2.gz VAWAVBLIXVLMJD-NSHDSACASA-N 1 2 218.275 2.682 20 30 BFEDLO CCc1ccc(C[N@H+](C)[C@H](C)CC#N)o1 ZINC000093090721 384209296 /nfs/dbraw/zinc/20/92/96/384209296.db2.gz SDWUAFBCHILWJM-SNVBAGLBSA-N 1 2 206.289 2.576 20 30 BFEDLO CCc1ccc(C[N@@H+](C)[C@H](C)CC#N)o1 ZINC000093090721 384209304 /nfs/dbraw/zinc/20/93/04/384209304.db2.gz SDWUAFBCHILWJM-SNVBAGLBSA-N 1 2 206.289 2.576 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1F ZINC000093091109 384209403 /nfs/dbraw/zinc/20/94/03/384209403.db2.gz BBRXDEJCKSZSJB-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1F ZINC000093091109 384209411 /nfs/dbraw/zinc/20/94/11/384209411.db2.gz BBRXDEJCKSZSJB-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cn1c[nH+]cc1CSc1cccc(C#N)c1 ZINC000336605504 384243630 /nfs/dbraw/zinc/24/36/30/384243630.db2.gz JNONBNJJWMWUGI-UHFFFAOYSA-N 1 2 229.308 2.584 20 30 BFEDLO CNc1ccc(-c2cccc(C#N)c2)c[nH+]1 ZINC000061906452 384483245 /nfs/dbraw/zinc/48/32/45/384483245.db2.gz ZPFQMVMMGODAMO-UHFFFAOYSA-N 1 2 209.252 2.662 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000097078989 384495485 /nfs/dbraw/zinc/49/54/85/384495485.db2.gz PFQIIUWAOCUXIV-SECBINFHSA-N 1 2 224.254 2.699 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000097078989 384495492 /nfs/dbraw/zinc/49/54/92/384495492.db2.gz PFQIIUWAOCUXIV-SECBINFHSA-N 1 2 224.254 2.699 20 30 BFEDLO CCc1cccc(OCC[N@H+](C)[C@H](C)CC#N)c1 ZINC000161946472 384546478 /nfs/dbraw/zinc/54/64/78/384546478.db2.gz XJLQMXDNUZWTGJ-CYBMUJFWSA-N 1 2 246.354 2.862 20 30 BFEDLO CCc1cccc(OCC[N@@H+](C)[C@H](C)CC#N)c1 ZINC000161946472 384546484 /nfs/dbraw/zinc/54/64/84/384546484.db2.gz XJLQMXDNUZWTGJ-CYBMUJFWSA-N 1 2 246.354 2.862 20 30 BFEDLO COc1cccc(/C=[NH+]/[C@H]2CC=CCC2)c1O ZINC000172402005 384583853 /nfs/dbraw/zinc/58/38/53/384583853.db2.gz RQVKVXUVYCJOLH-XBUHWIKASA-N 1 2 231.295 2.928 20 30 BFEDLO C[N@H+](CCC#N)CCc1ccccc1Cl ZINC000177190258 384897752 /nfs/dbraw/zinc/89/77/52/384897752.db2.gz WREGESKWTHSGFW-UHFFFAOYSA-N 1 2 222.719 2.728 20 30 BFEDLO C[N@@H+](CCC#N)CCc1ccccc1Cl ZINC000177190258 384897760 /nfs/dbraw/zinc/89/77/60/384897760.db2.gz WREGESKWTHSGFW-UHFFFAOYSA-N 1 2 222.719 2.728 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(C)s1 ZINC000127609069 384922631 /nfs/dbraw/zinc/92/26/31/384922631.db2.gz LNHWHKMMCZDRCM-UHFFFAOYSA-N 1 2 208.330 2.792 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(C)s1 ZINC000127609069 384922640 /nfs/dbraw/zinc/92/26/40/384922640.db2.gz LNHWHKMMCZDRCM-UHFFFAOYSA-N 1 2 208.330 2.792 20 30 BFEDLO CC[N@H+](CCC#N)CC1=Cc2ccccc2OC1 ZINC000127634484 384926194 /nfs/dbraw/zinc/92/61/94/384926194.db2.gz WYJPCHASDBEUEF-UHFFFAOYSA-N 1 2 242.322 2.698 20 30 BFEDLO CC[N@@H+](CCC#N)CC1=Cc2ccccc2OC1 ZINC000127634484 384926195 /nfs/dbraw/zinc/92/61/95/384926195.db2.gz WYJPCHASDBEUEF-UHFFFAOYSA-N 1 2 242.322 2.698 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(C)c(F)c1 ZINC000127676466 384931242 /nfs/dbraw/zinc/93/12/42/384931242.db2.gz AQPLYAPVGHGOEF-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(C)c(F)c1 ZINC000127676466 384931250 /nfs/dbraw/zinc/93/12/50/384931250.db2.gz AQPLYAPVGHGOEF-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(Cl)c1O ZINC000165161830 385076881 /nfs/dbraw/zinc/07/68/81/385076881.db2.gz SEFWUIOECVZEQF-JTQLQIEISA-N 1 2 238.718 2.827 20 30 BFEDLO CCCCCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000108454783 385043411 /nfs/dbraw/zinc/04/34/11/385043411.db2.gz USQTUIFXZCMVLH-UHFFFAOYSA-N 1 2 235.331 2.963 20 30 BFEDLO N#CCC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000130391997 385245177 /nfs/dbraw/zinc/24/51/77/385245177.db2.gz AUFAUCAEWXKBOC-CYBMUJFWSA-N 1 2 240.310 2.544 20 30 BFEDLO C[C@H](C#N)CNc1cc[nH+]c2ccccc12 ZINC000181125684 385398983 /nfs/dbraw/zinc/39/89/83/385398983.db2.gz ZCLNSXCKRPERQH-SNVBAGLBSA-N 1 2 211.268 2.806 20 30 BFEDLO N#CCC[NH2+]C1(c2ccccc2F)CCC1 ZINC000592145374 385568078 /nfs/dbraw/zinc/56/80/78/385568078.db2.gz WXHAAKVRKGZMKP-UHFFFAOYSA-N 1 2 218.275 2.708 20 30 BFEDLO CC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)C#N ZINC000595821658 385639359 /nfs/dbraw/zinc/63/93/59/385639359.db2.gz YPTHKBDQNRKDJO-LBPRGKRZSA-N 1 2 221.348 2.940 20 30 BFEDLO CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)C#N ZINC000595821658 385639365 /nfs/dbraw/zinc/63/93/65/385639365.db2.gz YPTHKBDQNRKDJO-LBPRGKRZSA-N 1 2 221.348 2.940 20 30 BFEDLO C=C(C)C(C)(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000424895838 386203804 /nfs/dbraw/zinc/20/38/04/386203804.db2.gz SKAKNXRUPHNRQU-UHFFFAOYSA-N 1 2 246.354 2.917 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cncn1C(C)C ZINC000425322622 386559385 /nfs/dbraw/zinc/55/93/85/386559385.db2.gz JXODFLPZXBCJJW-UHFFFAOYSA-N 1 2 219.332 2.638 20 30 BFEDLO C=CCN(CC=C)Cc1c[nH+]cn1C(C)C ZINC000425322622 386559392 /nfs/dbraw/zinc/55/93/92/386559392.db2.gz JXODFLPZXBCJJW-UHFFFAOYSA-N 1 2 219.332 2.638 20 30 BFEDLO CCn1c[nH+]cc1CN(CCC#N)CCC(C)C ZINC000417772083 386696006 /nfs/dbraw/zinc/69/60/06/386696006.db2.gz VUOCBVADILZJDZ-UHFFFAOYSA-N 1 2 248.374 2.665 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000334639800 386780043 /nfs/dbraw/zinc/78/00/43/386780043.db2.gz MCVMFYUSROHQQR-NSHDSACASA-N 1 2 208.330 2.684 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1cscn1 ZINC000334639800 386780052 /nfs/dbraw/zinc/78/00/52/386780052.db2.gz MCVMFYUSROHQQR-NSHDSACASA-N 1 2 208.330 2.684 20 30 BFEDLO Cc1cc(F)c(C[NH2+]CC(C)(C)C#N)c(F)c1 ZINC000425347131 386861432 /nfs/dbraw/zinc/86/14/32/386861432.db2.gz XIFKOVAKWDTEBT-UHFFFAOYSA-N 1 2 238.281 2.913 20 30 BFEDLO Cc1nc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cs1 ZINC000335749849 386874478 /nfs/dbraw/zinc/87/44/78/386874478.db2.gz BLEPELMSQMOWTJ-JQWIXIFHSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1nc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)cs1 ZINC000335749849 386874485 /nfs/dbraw/zinc/87/44/85/386874485.db2.gz BLEPELMSQMOWTJ-JQWIXIFHSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1cc(N[C@H]2CCC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399519964 386955411 /nfs/dbraw/zinc/95/54/11/386955411.db2.gz QJAARMVLYLAHRT-MFKMUULPSA-N 1 2 229.327 2.674 20 30 BFEDLO Cc1cc(N[C@@H]2C[C@]2(C)C(C)C)c(C#N)c[nH+]1 ZINC000399463417 387124297 /nfs/dbraw/zinc/12/42/97/387124297.db2.gz WDJYLKQXEYOGRV-ZIAGYGMSSA-N 1 2 229.327 2.530 20 30 BFEDLO N#CC1(C[NH2+]Cc2c(F)cccc2F)CCC1 ZINC000418138191 387173677 /nfs/dbraw/zinc/17/36/77/387173677.db2.gz GCRNIKBLZGYEMU-UHFFFAOYSA-N 1 2 236.265 2.748 20 30 BFEDLO CC[C@@H](F)C[N@H+](CCC#N)CC(C)(C)C ZINC000440797071 387703130 /nfs/dbraw/zinc/70/31/30/387703130.db2.gz MVJWHYFFYVTBEQ-LLVKDONJSA-N 1 2 214.328 2.996 20 30 BFEDLO CC[C@@H](F)C[N@@H+](CCC#N)CC(C)(C)C ZINC000440797071 387703134 /nfs/dbraw/zinc/70/31/34/387703134.db2.gz MVJWHYFFYVTBEQ-LLVKDONJSA-N 1 2 214.328 2.996 20 30 BFEDLO C=CCC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000432176315 387768815 /nfs/dbraw/zinc/76/88/15/387768815.db2.gz YRDQPKBIPUQOSK-UHFFFAOYSA-N 1 2 231.343 2.790 20 30 BFEDLO CCSCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444735352 387915987 /nfs/dbraw/zinc/91/59/87/387915987.db2.gz ZLOXABPYYNKIGF-NSHDSACASA-N 1 2 226.389 2.754 20 30 BFEDLO CCSCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444735352 387915991 /nfs/dbraw/zinc/91/59/91/387915991.db2.gz ZLOXABPYYNKIGF-NSHDSACASA-N 1 2 226.389 2.754 20 30 BFEDLO C=C(C)CC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000453305929 388041195 /nfs/dbraw/zinc/04/11/95/388041195.db2.gz AMTLMRSOUXXBIS-LLVKDONJSA-N 1 2 248.355 2.511 20 30 BFEDLO C=CCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000447812150 388093411 /nfs/dbraw/zinc/09/34/11/388093411.db2.gz QJRNKAQGDAIOBM-UHFFFAOYSA-N 1 2 246.358 2.845 20 30 BFEDLO C=CCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000447812150 388093413 /nfs/dbraw/zinc/09/34/13/388093413.db2.gz QJRNKAQGDAIOBM-UHFFFAOYSA-N 1 2 246.358 2.845 20 30 BFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456434584 388201335 /nfs/dbraw/zinc/20/13/35/388201335.db2.gz VBTHXLUPISWKBK-COPLHBTASA-N 1 2 247.342 2.607 20 30 BFEDLO C=C[C@@H]1CCCCN1Cc1cc(OC)cc(C)[nH+]1 ZINC000489407562 388212138 /nfs/dbraw/zinc/21/21/38/388212138.db2.gz QNRDSGZCUKKFEY-CQSZACIVSA-N 1 2 246.354 2.939 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CCCC)no1 ZINC000489479687 388217460 /nfs/dbraw/zinc/21/74/60/388217460.db2.gz RFZHBDYVRJVFJP-LBPRGKRZSA-N 1 2 249.358 2.953 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CCCC)no1 ZINC000489479687 388217461 /nfs/dbraw/zinc/21/74/61/388217461.db2.gz RFZHBDYVRJVFJP-LBPRGKRZSA-N 1 2 249.358 2.953 20 30 BFEDLO CC#CCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456833932 388226666 /nfs/dbraw/zinc/22/66/66/388226666.db2.gz GVRKVMGKUAGQHG-UHFFFAOYSA-N 1 2 244.338 2.508 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000491452359 388295737 /nfs/dbraw/zinc/29/57/37/388295737.db2.gz LAAAIQGMMCNVLL-SNVBAGLBSA-N 1 2 232.714 2.665 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000491452359 388295738 /nfs/dbraw/zinc/29/57/38/388295738.db2.gz LAAAIQGMMCNVLL-SNVBAGLBSA-N 1 2 232.714 2.665 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000491631266 388306650 /nfs/dbraw/zinc/30/66/50/388306650.db2.gz NVHNSIFDCJHGTR-UHFFFAOYSA-N 1 2 247.342 2.571 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000491631266 388306651 /nfs/dbraw/zinc/30/66/51/388306651.db2.gz NVHNSIFDCJHGTR-UHFFFAOYSA-N 1 2 247.342 2.571 20 30 BFEDLO C#CC[N@@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000491659481 388308887 /nfs/dbraw/zinc/30/88/87/388308887.db2.gz XCQMPVJFFFDINF-UHFFFAOYSA-N 1 2 246.335 2.777 20 30 BFEDLO C#CC[N@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000491659481 388308888 /nfs/dbraw/zinc/30/88/88/388308888.db2.gz XCQMPVJFFFDINF-UHFFFAOYSA-N 1 2 246.335 2.777 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000491665261 388309422 /nfs/dbraw/zinc/30/94/22/388309422.db2.gz RQMWAXFPAPVUQC-LBPRGKRZSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000491665261 388309423 /nfs/dbraw/zinc/30/94/23/388309423.db2.gz RQMWAXFPAPVUQC-LBPRGKRZSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000491672548 388309994 /nfs/dbraw/zinc/30/99/94/388309994.db2.gz UFGIXFRMANHBRW-JTQLQIEISA-N 1 2 222.357 2.720 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1csc(C(C)C)n1 ZINC000491672548 388309995 /nfs/dbraw/zinc/30/99/95/388309995.db2.gz UFGIXFRMANHBRW-JTQLQIEISA-N 1 2 222.357 2.720 20 30 BFEDLO C[N@H+](Cc1ccco1)Cc1ccc(C#N)s1 ZINC000162173194 388347092 /nfs/dbraw/zinc/34/70/92/388347092.db2.gz TZKLHNHNLNVUHH-UHFFFAOYSA-N 1 2 232.308 2.845 20 30 BFEDLO C[N@@H+](Cc1ccco1)Cc1ccc(C#N)s1 ZINC000162173194 388347094 /nfs/dbraw/zinc/34/70/94/388347094.db2.gz TZKLHNHNLNVUHH-UHFFFAOYSA-N 1 2 232.308 2.845 20 30 BFEDLO C[C@@H]1C[C@H]1C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000572807477 388377785 /nfs/dbraw/zinc/37/77/85/388377785.db2.gz CBCJGWVORFEJQX-WOPDTQHZSA-N 1 2 206.333 2.657 20 30 BFEDLO C[C@@H]1C[C@H]1C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000572807477 388377787 /nfs/dbraw/zinc/37/77/87/388377787.db2.gz CBCJGWVORFEJQX-WOPDTQHZSA-N 1 2 206.333 2.657 20 30 BFEDLO C#CC[N@@H+](Cc1nc(C(C)C)no1)C1CCCC1 ZINC000176379118 388452459 /nfs/dbraw/zinc/45/24/59/388452459.db2.gz OZYJAKRGQJYGSS-UHFFFAOYSA-N 1 2 247.342 2.571 20 30 BFEDLO C#CC[N@H+](Cc1nc(C(C)C)no1)C1CCCC1 ZINC000176379118 388452461 /nfs/dbraw/zinc/45/24/61/388452461.db2.gz OZYJAKRGQJYGSS-UHFFFAOYSA-N 1 2 247.342 2.571 20 30 BFEDLO CC#CC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000525119972 388416784 /nfs/dbraw/zinc/41/67/84/388416784.db2.gz GUQBWJXBVNSZFL-SNVBAGLBSA-N 1 2 223.266 2.981 20 30 BFEDLO CC#CC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000525119972 388416787 /nfs/dbraw/zinc/41/67/87/388416787.db2.gz GUQBWJXBVNSZFL-SNVBAGLBSA-N 1 2 223.266 2.981 20 30 BFEDLO Cc1cccc(CCC[NH+]2CC(C)(C#N)C2)c1 ZINC000517583095 388554891 /nfs/dbraw/zinc/55/48/91/388554891.db2.gz HIJZDAPKEJTVLB-UHFFFAOYSA-N 1 2 228.339 2.773 20 30 BFEDLO C#CC[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000192222290 388676495 /nfs/dbraw/zinc/67/64/95/388676495.db2.gz BVWUHBJYERDOLO-UHFFFAOYSA-N 1 2 244.269 2.546 20 30 BFEDLO C#CC[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000192222290 388676499 /nfs/dbraw/zinc/67/64/99/388676499.db2.gz BVWUHBJYERDOLO-UHFFFAOYSA-N 1 2 244.269 2.546 20 30 BFEDLO C=C[C@](C)(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000530322606 388649027 /nfs/dbraw/zinc/64/90/27/388649027.db2.gz KVLBTCMYIGVWCS-CQSZACIVSA-N 1 2 232.327 2.661 20 30 BFEDLO C=CCCCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000551991993 388654246 /nfs/dbraw/zinc/65/42/46/388654246.db2.gz ZKZCXICWXZGKRE-UHFFFAOYSA-N 1 2 247.342 2.550 20 30 BFEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000126756427 388700434 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/nfs/dbraw/zinc/83/45/00/388834500.db2.gz FHRKYLJHEGCAMQ-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000541760101 388867601 /nfs/dbraw/zinc/86/76/01/388867601.db2.gz CZPHZLJQMVBDQL-VIFPVBQESA-N 1 2 232.258 2.821 20 30 BFEDLO C=C(C)C[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000355228882 533508526 /nfs/dbraw/zinc/50/85/26/533508526.db2.gz XFIRHVFCCSPDNH-UHFFFAOYSA-N 1 2 241.338 2.988 20 30 BFEDLO C=C(C)C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000355228882 533508529 /nfs/dbraw/zinc/50/85/29/533508529.db2.gz XFIRHVFCCSPDNH-UHFFFAOYSA-N 1 2 241.338 2.988 20 30 BFEDLO C=C(C)C[N@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC000355228882 533508532 /nfs/dbraw/zinc/50/85/32/533508532.db2.gz XFIRHVFCCSPDNH-UHFFFAOYSA-N 1 2 241.338 2.988 20 30 BFEDLO C=C(C)C[N@@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC000355228882 533508535 /nfs/dbraw/zinc/50/85/35/533508535.db2.gz XFIRHVFCCSPDNH-UHFFFAOYSA-N 1 2 241.338 2.988 20 30 BFEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2ccccc2O)CCO1 ZINC000271260113 133540576 /nfs/dbraw/zinc/54/05/76/133540576.db2.gz IKQNXEJPHUOTSK-SJIAUZAASA-N 1 2 233.311 2.626 20 30 BFEDLO CC(C)n1ccnc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272494319 133543043 /nfs/dbraw/zinc/54/30/43/133543043.db2.gz CSLPKMIANUPMQM-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000351996926 134032918 /nfs/dbraw/zinc/03/29/18/134032918.db2.gz RCKICGUQUMEKAO-SNVBAGLBSA-N 1 2 248.301 2.655 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000351996926 134032919 /nfs/dbraw/zinc/03/29/19/134032919.db2.gz RCKICGUQUMEKAO-SNVBAGLBSA-N 1 2 248.301 2.655 20 30 BFEDLO COc1ccccc1/C=C\C[N@H+](C)C[C@H](C)C#N ZINC000352101744 134067605 /nfs/dbraw/zinc/06/76/05/134067605.db2.gz DFYLFGBOKAEOLP-FWPCIQOSSA-N 1 2 244.338 2.800 20 30 BFEDLO COc1ccccc1/C=C\C[N@@H+](C)C[C@H](C)C#N ZINC000352101744 134067606 /nfs/dbraw/zinc/06/76/06/134067606.db2.gz DFYLFGBOKAEOLP-FWPCIQOSSA-N 1 2 244.338 2.800 20 30 BFEDLO N#Cc1cccc(COc2cc[nH+]cc2)c1 ZINC000336133291 134095336 /nfs/dbraw/zinc/09/53/36/134095336.db2.gz JXKJOHAHRHYPOG-UHFFFAOYSA-N 1 2 210.236 2.532 20 30 BFEDLO C=C(C)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000336498656 134148536 /nfs/dbraw/zinc/14/85/36/134148536.db2.gz SQQXQPPUJRDBCE-HUUCEWRRSA-N 1 2 248.370 2.880 20 30 BFEDLO C=C(C)CC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000336498656 134148537 /nfs/dbraw/zinc/14/85/37/134148537.db2.gz SQQXQPPUJRDBCE-HUUCEWRRSA-N 1 2 248.370 2.880 20 30 BFEDLO C=CC[N@H+](CCc1ccco1)CC1(C#N)CC1 ZINC000352702563 134151240 /nfs/dbraw/zinc/15/12/40/134151240.db2.gz ZHOYGRFEHGSWEJ-UHFFFAOYSA-N 1 2 230.311 2.614 20 30 BFEDLO C=CC[N@@H+](CCc1ccco1)CC1(C#N)CC1 ZINC000352702563 134151241 /nfs/dbraw/zinc/15/12/41/134151241.db2.gz ZHOYGRFEHGSWEJ-UHFFFAOYSA-N 1 2 230.311 2.614 20 30 BFEDLO C=C(C)CN(CC)c1nc(N)c2ccccc2[nH+]1 ZINC000301900968 134156991 /nfs/dbraw/zinc/15/69/91/134156991.db2.gz ZPNUCDFLCAHXBQ-UHFFFAOYSA-N 1 2 242.326 2.614 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000354026057 134166119 /nfs/dbraw/zinc/16/61/19/134166119.db2.gz MXISFNVQIZAYJP-NSHDSACASA-N 1 2 230.311 2.516 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000354026057 134166120 /nfs/dbraw/zinc/16/61/20/134166120.db2.gz MXISFNVQIZAYJP-NSHDSACASA-N 1 2 230.311 2.516 20 30 BFEDLO C=CC[C@@H](CC)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000354782208 134170040 /nfs/dbraw/zinc/17/00/40/134170040.db2.gz IZWPUGUJSFNVGZ-ZIAGYGMSSA-N 1 2 247.338 2.845 20 30 BFEDLO C[C@@H]1CCC[C@@H](C[N@H+](CC#N)C2CC2)C1 ZINC000357011974 134181720 /nfs/dbraw/zinc/18/17/20/134181720.db2.gz VGJYMKXWONSQGS-VXGBXAGGSA-N 1 2 206.333 2.801 20 30 BFEDLO C[C@@H]1CCC[C@@H](C[N@@H+](CC#N)C2CC2)C1 ZINC000357011974 134181721 /nfs/dbraw/zinc/18/17/21/134181721.db2.gz VGJYMKXWONSQGS-VXGBXAGGSA-N 1 2 206.333 2.801 20 30 BFEDLO C=CC[N@@H+](CC#CC)Cc1ccccc1F ZINC000357630053 134184468 /nfs/dbraw/zinc/18/44/68/134184468.db2.gz PNVFQJPXLUHWTN-UHFFFAOYSA-N 1 2 217.287 2.837 20 30 BFEDLO C=CC[N@H+](CC#CC)Cc1ccccc1F ZINC000357630053 134184469 /nfs/dbraw/zinc/18/44/69/134184469.db2.gz PNVFQJPXLUHWTN-UHFFFAOYSA-N 1 2 217.287 2.837 20 30 BFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)[C@H](C)[C@H](C)O1 ZINC000361847588 134207701 /nfs/dbraw/zinc/20/77/01/134207701.db2.gz DOOHCJVZMPSAAJ-KFWWJZLASA-N 1 2 243.350 2.536 20 30 BFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@H](C)[C@H](C)O1 ZINC000361847588 134207702 /nfs/dbraw/zinc/20/77/02/134207702.db2.gz DOOHCJVZMPSAAJ-KFWWJZLASA-N 1 2 243.350 2.536 20 30 BFEDLO C=CCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000373837819 134234961 /nfs/dbraw/zinc/23/49/61/134234961.db2.gz UTHDVGQYCQTPGO-CABCVRRESA-N 1 2 248.370 2.880 20 30 BFEDLO C=CCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000373837819 134234962 /nfs/dbraw/zinc/23/49/62/134234962.db2.gz UTHDVGQYCQTPGO-CABCVRRESA-N 1 2 248.370 2.880 20 30 BFEDLO N#Cc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC000183287948 134352673 /nfs/dbraw/zinc/35/26/73/134352673.db2.gz HHHZJMGKKWIQLI-UHFFFAOYSA-N 1 2 248.289 2.818 20 30 BFEDLO Cc1c(C[N@@H+](C)[C@H](C)CC#N)cccc1[N+](=O)[O-] ZINC000063095306 134395985 /nfs/dbraw/zinc/39/59/85/134395985.db2.gz WOJKCCJUXRRQBV-SNVBAGLBSA-N 1 2 247.298 2.637 20 30 BFEDLO Cc1c(C[N@H+](C)[C@H](C)CC#N)cccc1[N+](=O)[O-] ZINC000063095306 134395986 /nfs/dbraw/zinc/39/59/86/134395986.db2.gz WOJKCCJUXRRQBV-SNVBAGLBSA-N 1 2 247.298 2.637 20 30 BFEDLO N#CCCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848618 134397496 /nfs/dbraw/zinc/39/74/96/134397496.db2.gz NOLDIFCKRXADMB-AWEZNQCLSA-N 1 2 248.301 2.503 20 30 BFEDLO N#CCCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848618 134397497 /nfs/dbraw/zinc/39/74/97/134397497.db2.gz NOLDIFCKRXADMB-AWEZNQCLSA-N 1 2 248.301 2.503 20 30 BFEDLO C=CC[C@@H](CO)CNc1[nH+]ccc(C)c1Cl ZINC000309613776 134598872 /nfs/dbraw/zinc/59/88/72/134598872.db2.gz AYBOAYUVKMRNFH-SNVBAGLBSA-N 1 2 240.734 2.640 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)ccc1OC ZINC000310292048 134599989 /nfs/dbraw/zinc/59/99/89/134599989.db2.gz RUIBZEJRKACTPC-LBPRGKRZSA-N 1 2 236.290 2.616 20 30 BFEDLO CC[N@H+](CC#N)C[C@H]1CCCC(F)(F)C1 ZINC000308608427 135079199 /nfs/dbraw/zinc/07/91/99/135079199.db2.gz VVKWBCNLGCZHBG-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO CC[N@@H+](CC#N)C[C@H]1CCCC(F)(F)C1 ZINC000308608427 135079201 /nfs/dbraw/zinc/07/92/01/135079201.db2.gz VVKWBCNLGCZHBG-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO CC#CC[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339737091 135079880 /nfs/dbraw/zinc/07/98/80/135079880.db2.gz WAOKFWDUAPOFKO-UHFFFAOYSA-N 1 2 249.741 2.730 20 30 BFEDLO CC#CC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339737091 135079882 /nfs/dbraw/zinc/07/98/82/135079882.db2.gz WAOKFWDUAPOFKO-UHFFFAOYSA-N 1 2 249.741 2.730 20 30 BFEDLO CC(C)CCOCC[N@H+](CC#N)C1CCCC1 ZINC000078003400 135090061 /nfs/dbraw/zinc/09/00/61/135090061.db2.gz XQDDISYXVCMJJG-UHFFFAOYSA-N 1 2 238.375 2.817 20 30 BFEDLO CC(C)CCOCC[N@@H+](CC#N)C1CCCC1 ZINC000078003400 135090062 /nfs/dbraw/zinc/09/00/62/135090062.db2.gz XQDDISYXVCMJJG-UHFFFAOYSA-N 1 2 238.375 2.817 20 30 BFEDLO N#CCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264218655 135136563 /nfs/dbraw/zinc/13/65/63/135136563.db2.gz VBWGQCKXBCPSBC-LBPRGKRZSA-N 1 2 218.275 2.529 20 30 BFEDLO N#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264218655 135136565 /nfs/dbraw/zinc/13/65/65/135136565.db2.gz VBWGQCKXBCPSBC-LBPRGKRZSA-N 1 2 218.275 2.529 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/C2CC(C)C2)c1 ZINC000267632291 135156081 /nfs/dbraw/zinc/15/60/81/135156081.db2.gz JREYXDCVZLEOEK-RIYZIHGNSA-N 1 2 219.284 2.618 20 30 BFEDLO C[C@]1(CCc2ccccc2)CC[N@H+](CC#N)C1 ZINC000267608297 135156176 /nfs/dbraw/zinc/15/61/76/135156176.db2.gz NGHRJZIGENODAV-HNNXBMFYSA-N 1 2 228.339 2.855 20 30 BFEDLO C[C@]1(CCc2ccccc2)CC[N@@H+](CC#N)C1 ZINC000267608297 135156177 /nfs/dbraw/zinc/15/61/77/135156177.db2.gz NGHRJZIGENODAV-HNNXBMFYSA-N 1 2 228.339 2.855 20 30 BFEDLO CC[N@@H+](CC#N)CCCc1ccccc1C ZINC000267797754 135156221 /nfs/dbraw/zinc/15/62/21/135156221.db2.gz ISDIICJMDGZBQQ-UHFFFAOYSA-N 1 2 216.328 2.773 20 30 BFEDLO CC[N@H+](CC#N)CCCc1ccccc1C ZINC000267797754 135156222 /nfs/dbraw/zinc/15/62/22/135156222.db2.gz ISDIICJMDGZBQQ-UHFFFAOYSA-N 1 2 216.328 2.773 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C)s1 ZINC000292761260 135178533 /nfs/dbraw/zinc/17/85/33/135178533.db2.gz JOGHYZAUGLKHKU-UHFFFAOYSA-N 1 2 220.341 2.958 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc(C)s1 ZINC000292761260 135178535 /nfs/dbraw/zinc/17/85/35/135178535.db2.gz JOGHYZAUGLKHKU-UHFFFAOYSA-N 1 2 220.341 2.958 20 30 BFEDLO Cc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1F ZINC000294838617 135186510 /nfs/dbraw/zinc/18/65/10/135186510.db2.gz OCERKAQFLMYZSA-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1cccc(C[N@H+](C)C[C@H](C)C#N)c1F ZINC000294838617 135186511 /nfs/dbraw/zinc/18/65/11/135186511.db2.gz OCERKAQFLMYZSA-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1cccnc1 ZINC000340601193 135198685 /nfs/dbraw/zinc/19/86/85/135198685.db2.gz MIJIRAYBQNUFKZ-NWDGAFQWSA-N 1 2 217.316 2.624 20 30 BFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1cccnc1 ZINC000340601193 135198687 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ZINC000545220243 325195198 /nfs/dbraw/zinc/19/51/98/325195198.db2.gz MJVZVLIWYYWJCR-UHFFFAOYSA-N 1 2 248.289 2.631 20 30 BFEDLO CC#CCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000133188396 325276245 /nfs/dbraw/zinc/27/62/45/325276245.db2.gz DBYTXQUVNMSSJR-UHFFFAOYSA-N 1 2 220.222 2.728 20 30 BFEDLO Clc1ccccc1C#CCn1cc[nH+]c1 ZINC000135169344 325398589 /nfs/dbraw/zinc/39/85/89/325398589.db2.gz PBXAIRROVHIUPY-UHFFFAOYSA-N 1 2 216.671 2.588 20 30 BFEDLO Cc1[nH]c(CNc2cccc(CC#N)c2)[nH+]c1C ZINC000566499112 326059014 /nfs/dbraw/zinc/05/90/14/326059014.db2.gz MTLPUDWLLKVMFD-UHFFFAOYSA-N 1 2 240.310 2.705 20 30 BFEDLO CC#CC[N@H+](C)Cc1ccccc1Cl ZINC000157373222 326271694 /nfs/dbraw/zinc/27/16/94/326271694.db2.gz SEJSWJNGCLTLLI-UHFFFAOYSA-N 1 2 207.704 2.795 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ccccc1Cl ZINC000157373222 326271696 /nfs/dbraw/zinc/27/16/96/326271696.db2.gz SEJSWJNGCLTLLI-UHFFFAOYSA-N 1 2 207.704 2.795 20 30 BFEDLO C[N@H+](CCC#N)Cc1cccc2c1OC(C)(C)C2 ZINC000157782649 326295796 /nfs/dbraw/zinc/29/57/96/326295796.db2.gz CHVHWCOPVUWNDX-UHFFFAOYSA-N 1 2 244.338 2.746 20 30 BFEDLO C[N@@H+](CCC#N)Cc1cccc2c1OC(C)(C)C2 ZINC000157782649 326295798 /nfs/dbraw/zinc/29/57/98/326295798.db2.gz CHVHWCOPVUWNDX-UHFFFAOYSA-N 1 2 244.338 2.746 20 30 BFEDLO CC1(C#N)C[NH+](C[C@@H]2CCCCC2(F)F)C1 ZINC000568103967 326308269 /nfs/dbraw/zinc/30/82/69/326308269.db2.gz ULJQICBOPXIDIK-JTQLQIEISA-N 1 2 228.286 2.657 20 30 BFEDLO CC(C)(C#N)CCCC[NH+]1CC(C)(C#N)C1 ZINC000572613739 326400935 /nfs/dbraw/zinc/40/09/35/326400935.db2.gz MKJINUVPJKBFCK-UHFFFAOYSA-N 1 2 219.332 2.552 20 30 BFEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000678220493 488220387 /nfs/dbraw/zinc/22/03/87/488220387.db2.gz WBLHDWMUSNHNDX-TZMCWYRMSA-N 1 2 249.379 2.923 20 30 BFEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000678220493 488220391 /nfs/dbraw/zinc/22/03/91/488220391.db2.gz WBLHDWMUSNHNDX-TZMCWYRMSA-N 1 2 249.379 2.923 20 30 BFEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000678220492 488220832 /nfs/dbraw/zinc/22/08/32/488220832.db2.gz WBLHDWMUSNHNDX-OCCSQVGLSA-N 1 2 249.379 2.923 20 30 BFEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000678220492 488220835 /nfs/dbraw/zinc/22/08/35/488220835.db2.gz WBLHDWMUSNHNDX-OCCSQVGLSA-N 1 2 249.379 2.923 20 30 BFEDLO C=C(CC)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000678623002 488273189 /nfs/dbraw/zinc/27/31/89/488273189.db2.gz IBFOIJYOFJJDIE-LBPRGKRZSA-N 1 2 235.331 2.871 20 30 BFEDLO C=C(CC)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000678623002 488273192 /nfs/dbraw/zinc/27/31/92/488273192.db2.gz IBFOIJYOFJJDIE-LBPRGKRZSA-N 1 2 235.331 2.871 20 30 BFEDLO Cc1nn(C(C)C)c(C)c1C[N@H+](C)C[C@@H](C)C#N ZINC000891716627 582712909 /nfs/dbraw/zinc/71/29/09/582712909.db2.gz UWZURFCVWRHNJE-NSHDSACASA-N 1 2 248.374 2.672 20 30 BFEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000891716627 582712912 /nfs/dbraw/zinc/71/29/12/582712912.db2.gz UWZURFCVWRHNJE-NSHDSACASA-N 1 2 248.374 2.672 20 30 BFEDLO COCCCC1(C[N@H+](CC#N)C2CC2)CCC1 ZINC000891795588 582722770 /nfs/dbraw/zinc/72/27/70/582722770.db2.gz RYFIBIUNEZNBMQ-UHFFFAOYSA-N 1 2 236.359 2.571 20 30 BFEDLO COCCCC1(C[N@@H+](CC#N)C2CC2)CCC1 ZINC000891795588 582722772 /nfs/dbraw/zinc/72/27/72/582722772.db2.gz RYFIBIUNEZNBMQ-UHFFFAOYSA-N 1 2 236.359 2.571 20 30 BFEDLO C=C(CC)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC000336771994 534420318 /nfs/dbraw/zinc/42/03/18/534420318.db2.gz UWNNZRUPIJEMBH-RYUDHWBXSA-N 1 2 227.348 2.520 20 30 BFEDLO C=CCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000341422702 534772206 /nfs/dbraw/zinc/77/22/06/534772206.db2.gz JIJRSSMHJZNGPU-UHFFFAOYSA-N 1 2 219.332 2.921 20 30 BFEDLO C=CCCN(C)c1cc[nH+]c(C(C)C)n1 ZINC000341456616 534773052 /nfs/dbraw/zinc/77/30/52/534773052.db2.gz DUXHDFTYOOCENH-UHFFFAOYSA-N 1 2 205.305 2.612 20 30 BFEDLO C=CC[N@H+](Cc1ccon1)Cc1ccccc1 ZINC000122740220 534841896 /nfs/dbraw/zinc/84/18/96/534841896.db2.gz HFQZXFDMUPVXCC-UHFFFAOYSA-N 1 2 228.295 2.863 20 30 BFEDLO C=CC[N@@H+](Cc1ccon1)Cc1ccccc1 ZINC000122740220 534841902 /nfs/dbraw/zinc/84/19/02/534841902.db2.gz HFQZXFDMUPVXCC-UHFFFAOYSA-N 1 2 228.295 2.863 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1C[C@H]1C ZINC000853161752 588723185 /nfs/dbraw/zinc/72/31/85/588723185.db2.gz ZLRZJEXAVHOIKV-CHWSQXEVSA-N 1 2 244.338 2.942 20 30 BFEDLO C=CC1CC[NH+](Cn2ncsc2=S)CC1 ZINC000111166505 588725381 /nfs/dbraw/zinc/72/53/81/588725381.db2.gz ZIFZHLSMRKUIIK-UHFFFAOYSA-N 1 2 241.385 2.530 20 30 BFEDLO Cc1ccc(NN=Cc2c[nH+]c3n2CCC3)cc1 ZINC000853255340 588729554 /nfs/dbraw/zinc/72/95/54/588729554.db2.gz BOBNCVXIAQYSNT-UHFFFAOYSA-N 1 2 240.310 2.584 20 30 BFEDLO Cc1[nH+]cc(C=NN[C@@H]2CCCCC2(C)C)n1C ZINC000853340783 588735119 /nfs/dbraw/zinc/73/51/19/588735119.db2.gz IMJBDNUOTSDIFJ-CYBMUJFWSA-N 1 2 248.374 2.621 20 30 BFEDLO CC(C)c1cccc(C=[NH+][N-]c2[nH+]ccn2C)c1 ZINC000853339955 588735277 /nfs/dbraw/zinc/73/52/77/588735277.db2.gz HKVJWQPGHKDOIW-UHFFFAOYSA-N 1 2 242.326 2.990 20 30 BFEDLO CC(C)c1cccc(C=NNc2[nH+]ccn2C)c1 ZINC000853339955 588735278 /nfs/dbraw/zinc/73/52/78/588735278.db2.gz HKVJWQPGHKDOIW-UHFFFAOYSA-N 1 2 242.326 2.990 20 30 BFEDLO CC(C)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000853646321 588752048 /nfs/dbraw/zinc/75/20/48/588752048.db2.gz PWYSDYXXZUXPND-SECBINFHSA-N 1 2 224.279 2.507 20 30 BFEDLO CC(C)c1nc(N2CCC[C@@H](CC#N)C2)cc[nH+]1 ZINC000853760353 588761968 /nfs/dbraw/zinc/76/19/68/588761968.db2.gz DGCJPKHXNGVHAX-LBPRGKRZSA-N 1 2 244.342 2.730 20 30 BFEDLO C=CC[C@@H](C=C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000860929322 582554089 /nfs/dbraw/zinc/55/40/89/582554089.db2.gz GMCCCEQUVBLJEB-NWDGAFQWSA-N 1 2 234.299 2.508 20 30 BFEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000847017315 582673985 /nfs/dbraw/zinc/67/39/85/582673985.db2.gz BRSSIHKLXOGTAA-NSHDSACASA-N 1 2 249.383 2.507 20 30 BFEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000847017315 582673986 /nfs/dbraw/zinc/67/39/86/582673986.db2.gz BRSSIHKLXOGTAA-NSHDSACASA-N 1 2 249.383 2.507 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000625705169 582686596 /nfs/dbraw/zinc/68/65/96/582686596.db2.gz YCVKTLSIPFDRCA-LLVKDONJSA-N 1 2 249.358 2.765 20 30 BFEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000625705169 582686597 /nfs/dbraw/zinc/68/65/97/582686597.db2.gz YCVKTLSIPFDRCA-LLVKDONJSA-N 1 2 249.358 2.765 20 30 BFEDLO CC[N@@H+](Cc1cccc2c1OCC2)C[C@H](C)C#N ZINC000891716541 582713153 /nfs/dbraw/zinc/71/31/53/582713153.db2.gz RWBYDWDLMFHGBK-GFCCVEGCSA-N 1 2 244.338 2.603 20 30 BFEDLO CC[N@H+](Cc1cccc2c1OCC2)C[C@H](C)C#N ZINC000891716541 582713154 /nfs/dbraw/zinc/71/31/54/582713154.db2.gz RWBYDWDLMFHGBK-GFCCVEGCSA-N 1 2 244.338 2.603 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1nccc2c1CCCC2 ZINC000893607552 583172421 /nfs/dbraw/zinc/17/24/21/583172421.db2.gz XOLDNYRPCDUYDT-ZDUSSCGKSA-N 1 2 243.354 2.742 20 30 BFEDLO C#C[C@@H](CC)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894387532 583444644 /nfs/dbraw/zinc/44/46/44/583444644.db2.gz OWOUCMHACSNDHR-ZETCQYMHSA-N 1 2 248.273 2.663 20 30 BFEDLO C#C[C@H]([NH2+]Cc1nnc(C2CC2)s1)C(C)(C)C ZINC000894517609 583476942 /nfs/dbraw/zinc/47/69/42/583476942.db2.gz MNAFIRCAXWCJAA-JTQLQIEISA-N 1 2 249.383 2.553 20 30 BFEDLO Cc1cnc(Cl)c(C[NH2+]CC2(C#N)CCC2)c1 ZINC000894965482 583559836 /nfs/dbraw/zinc/55/98/36/583559836.db2.gz GWDUYDSWACIFCA-UHFFFAOYSA-N 1 2 249.745 2.827 20 30 BFEDLO C#C[C@H]1CC[C@H](Nc2cccc([C@H](C)O)[nH+]2)CC1 ZINC000895091293 583586669 /nfs/dbraw/zinc/58/66/69/583586669.db2.gz CVRFKOPIEMHESX-AVGNSLFASA-N 1 2 244.338 2.739 20 30 BFEDLO Cc1coc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000895189043 583619705 /nfs/dbraw/zinc/61/97/05/583619705.db2.gz SALSXQZGLDOCCU-UHFFFAOYSA-N 1 2 238.290 2.976 20 30 BFEDLO Cc1coc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000895189043 583619707 /nfs/dbraw/zinc/61/97/07/583619707.db2.gz SALSXQZGLDOCCU-UHFFFAOYSA-N 1 2 238.290 2.976 20 30 BFEDLO N#CCc1ccc(C[N@@H+]2Cc3ccncc3C2)cc1 ZINC000857878831 588919308 /nfs/dbraw/zinc/91/93/08/588919308.db2.gz NLXVZQRNAMMMFX-UHFFFAOYSA-N 1 2 249.317 2.663 20 30 BFEDLO N#CCc1ccc(C[N@H+]2Cc3ccncc3C2)cc1 ZINC000857878831 588919309 /nfs/dbraw/zinc/91/93/09/588919309.db2.gz NLXVZQRNAMMMFX-UHFFFAOYSA-N 1 2 249.317 2.663 20 30 BFEDLO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000895402099 583665222 /nfs/dbraw/zinc/66/52/22/583665222.db2.gz AWZBIFYXPBZHHE-UHFFFAOYSA-N 1 2 248.326 2.852 20 30 BFEDLO CC(C)(CCC#N)C[N@@H+]1CC[C@@H]1C(F)F ZINC000895433691 583672074 /nfs/dbraw/zinc/67/20/74/583672074.db2.gz XQBAROYRRDHZEB-SECBINFHSA-N 1 2 216.275 2.656 20 30 BFEDLO CC(C)(CCC#N)C[N@H+]1CC[C@@H]1C(F)F ZINC000895433691 583672075 /nfs/dbraw/zinc/67/20/75/583672075.db2.gz XQBAROYRRDHZEB-SECBINFHSA-N 1 2 216.275 2.656 20 30 BFEDLO CCOc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000896501511 583807568 /nfs/dbraw/zinc/80/75/68/583807568.db2.gz BYQYLVHETUQXFI-CQSZACIVSA-N 1 2 244.338 2.821 20 30 BFEDLO CCOc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000896501511 583807569 /nfs/dbraw/zinc/80/75/69/583807569.db2.gz BYQYLVHETUQXFI-CQSZACIVSA-N 1 2 244.338 2.821 20 30 BFEDLO CCC[C@H](C/[NH+]=C\c1ccccc1O)OC ZINC000840705654 583838791 /nfs/dbraw/zinc/83/87/91/583838791.db2.gz FCEXQUAMQQNPPA-OJLMPMFISA-N 1 2 221.300 2.626 20 30 BFEDLO COc1cccc(/C=[NH+]\CC[C@H](C)F)c1O ZINC000840705917 583840766 /nfs/dbraw/zinc/84/07/66/583840766.db2.gz IJQFKOSIMKZDRV-JNNKLVPLSA-N 1 2 225.263 2.568 20 30 BFEDLO C=C1CC(c2noc(C[C@H](C)n3cc[nH+]c3)n2)C1 ZINC000896874721 583842823 /nfs/dbraw/zinc/84/28/23/583842823.db2.gz UDRCCRHESZYFKZ-JTQLQIEISA-N 1 2 244.298 2.503 20 30 BFEDLO C=C1CC(c2noc(Cc3c[nH+]ccc3C)n2)C1 ZINC000896874423 583843126 /nfs/dbraw/zinc/84/31/26/583843126.db2.gz NRJGQTMLUYTXMC-UHFFFAOYSA-N 1 2 241.294 2.797 20 30 BFEDLO COc1cccc(O)c1/C=[NH+]/C[C@@H]1C[C@H]1C1CC1 ZINC000840709215 583854989 /nfs/dbraw/zinc/85/49/89/583854989.db2.gz HZOJDDZOEIAONN-STQKSKDHSA-N 1 2 245.322 2.866 20 30 BFEDLO COC1CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000840712114 583879838 /nfs/dbraw/zinc/87/98/38/583879838.db2.gz VXXUCGBIYHAFGB-GDNBJRDFSA-N 1 2 233.311 2.769 20 30 BFEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2ccccc2O)[C@H](C)O1 ZINC000840712829 583880997 /nfs/dbraw/zinc/88/09/97/583880997.db2.gz MTJGPXOJOZQIQL-ATPYYFTBSA-N 1 2 233.311 2.625 20 30 BFEDLO CC#CC[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000897167468 583887651 /nfs/dbraw/zinc/88/76/51/583887651.db2.gz LYBXAFDRVOFITB-UHFFFAOYSA-N 1 2 222.357 2.722 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ncc(C(C)C)s1 ZINC000897167468 583887653 /nfs/dbraw/zinc/88/76/53/583887653.db2.gz LYBXAFDRVOFITB-UHFFFAOYSA-N 1 2 222.357 2.722 20 30 BFEDLO C[C@@H]([NH2+]C1CCCC1)c1cccc(C#N)c1O ZINC000866213485 584116542 /nfs/dbraw/zinc/11/65/42/584116542.db2.gz WIHHDMYFYXCTFS-SNVBAGLBSA-N 1 2 230.311 2.857 20 30 BFEDLO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(C#N)c1O ZINC000866244332 584116625 /nfs/dbraw/zinc/11/66/25/584116625.db2.gz ZVVUKNTVPFAYDJ-NHCYSSNCSA-N 1 2 230.311 2.570 20 30 BFEDLO CC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866214597 584116757 /nfs/dbraw/zinc/11/67/57/584116757.db2.gz QBBZYNNBSPQMFY-NXEZZACHSA-N 1 2 218.300 2.713 20 30 BFEDLO Oc1cccc(/C=[NH+]\C[C@]23C[C@H]2CCC3)c1O ZINC000899227564 584182563 /nfs/dbraw/zinc/18/25/63/584182563.db2.gz NQRYDKKMUODXIS-PVNRZXLWSA-N 1 2 231.295 2.707 20 30 BFEDLO CC1(C)CCC/C(=C\c2ccc(N)[nH+]c2)C1=O ZINC000899363684 584205158 /nfs/dbraw/zinc/20/51/58/584205158.db2.gz QXPNIFCVGQYYET-DHZHZOJOSA-N 1 2 230.311 2.826 20 30 BFEDLO C#CCCCCCC=[NH+]n1nnc2c1CCCC2 ZINC000901328716 584424086 /nfs/dbraw/zinc/42/40/86/584424086.db2.gz MMHSKUOIHUASSB-UHFFFAOYSA-N 1 2 244.342 2.575 20 30 BFEDLO CCCCCC=[NH+]n1nnc2c1CCCC2 ZINC000901330949 584424394 /nfs/dbraw/zinc/42/43/94/584424394.db2.gz FXAKGBKXFKQGCW-UHFFFAOYSA-N 1 2 220.320 2.571 20 30 BFEDLO Cn1c[nH+]cc1/C=C/C(=O)C1CCCCC1 ZINC000901444411 584446637 /nfs/dbraw/zinc/44/66/37/584446637.db2.gz GFVRWMINZDKTKR-BQYQJAHWSA-N 1 2 218.300 2.583 20 30 BFEDLO N#CC1(CCCCOCc2[nH]cc[nH+]2)CCC1 ZINC000901528897 584458891 /nfs/dbraw/zinc/45/88/91/584458891.db2.gz MMXIEEORSGUBCT-UHFFFAOYSA-N 1 2 233.315 2.790 20 30 BFEDLO C[C@@H](C#N)OCCOc1ccc2c[nH+]ccc2c1 ZINC000902639449 584649125 /nfs/dbraw/zinc/64/91/25/584649125.db2.gz XVJICLRPGBCYAW-NSHDSACASA-N 1 2 242.278 2.542 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(O)c1F ZINC000903035463 584718843 /nfs/dbraw/zinc/71/88/43/584718843.db2.gz PZJWAPHFGJPKBH-JTQLQIEISA-N 1 2 248.301 2.876 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccnc1Cl ZINC000903106806 584728447 /nfs/dbraw/zinc/72/84/47/584728447.db2.gz VVYWNDMOVJDYSQ-SECBINFHSA-N 1 2 235.718 2.689 20 30 BFEDLO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)c2nccn21 ZINC000903108427 584728782 /nfs/dbraw/zinc/72/87/82/584728782.db2.gz CGZIBGSGZFZUKU-RYUDHWBXSA-N 1 2 244.342 2.562 20 30 BFEDLO Cc1ccc2c(N[NH2+]C34CC(C3)C4)csc2c1 ZINC000842547825 584942171 /nfs/dbraw/zinc/94/21/71/584942171.db2.gz XPKUCUKKYDKVLV-UHFFFAOYSA-N 1 2 244.363 2.947 20 30 BFEDLO Oc1cccc(/C=[NH+]/CC(C2CC2)C2CC2)c1O ZINC000743044654 585133589 /nfs/dbraw/zinc/13/35/89/585133589.db2.gz NVCMLVCBMNMPSD-LZYBPNLTSA-N 1 2 245.322 2.953 20 30 BFEDLO CC1(O)CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000749845655 585207397 /nfs/dbraw/zinc/20/73/97/585207397.db2.gz SOZJDGHXDOEZFS-XNTDXEJSSA-N 1 2 233.311 2.505 20 30 BFEDLO C=CCCC(CC)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753940776 585272334 /nfs/dbraw/zinc/27/23/34/585272334.db2.gz VJMJGFWGJYRZFY-STQMWFEESA-N 1 2 248.374 2.579 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1ccnc(Cl)c1)C1CC1 ZINC000754371175 585283402 /nfs/dbraw/zinc/28/34/02/585283402.db2.gz JLNRONCUFOITEV-JTQLQIEISA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccnc(Cl)c1)C1CC1 ZINC000754371175 585283403 /nfs/dbraw/zinc/28/34/03/585283403.db2.gz JLNRONCUFOITEV-JTQLQIEISA-N 1 2 249.745 2.859 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NNc1cccc(Cl)c1 ZINC000755471155 585300258 /nfs/dbraw/zinc/30/02/58/585300258.db2.gz DGHLLZCQLJMTBR-UHFFFAOYSA-N 1 2 234.690 2.818 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000839612040 585333132 /nfs/dbraw/zinc/33/31/32/585333132.db2.gz MNNPJSQNRJWPRX-UHFFFAOYSA-N 1 2 210.708 2.574 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1ccc(C)cn1 ZINC000839612040 585333133 /nfs/dbraw/zinc/33/31/33/585333133.db2.gz MNNPJSQNRJWPRX-UHFFFAOYSA-N 1 2 210.708 2.574 20 30 BFEDLO CC1(C)CCC/C(=C\c2[nH]cc[nH+]2)C1=O ZINC000757534577 585340664 /nfs/dbraw/zinc/34/06/64/585340664.db2.gz NFPLMJPGHVSDEW-CMDGGOBGSA-N 1 2 204.273 2.572 20 30 BFEDLO C[C@H]([NH2+]CCCC#N)c1cc(F)cc(F)c1O ZINC000757653854 585343758 /nfs/dbraw/zinc/34/37/58/585343758.db2.gz JYEKTVYYYXYUGY-QMMMGPOBSA-N 1 2 240.253 2.625 20 30 BFEDLO C=CC[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000759240668 585366262 /nfs/dbraw/zinc/36/62/62/585366262.db2.gz UTCUHMVVBORIFT-UHFFFAOYSA-N 1 2 239.359 2.807 20 30 BFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCF ZINC000759346940 585370173 /nfs/dbraw/zinc/37/01/73/585370173.db2.gz LDNJGGJTCLPCNH-UONOGXRCSA-N 1 2 232.302 2.728 20 30 BFEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCF ZINC000759346940 585370174 /nfs/dbraw/zinc/37/01/74/585370174.db2.gz LDNJGGJTCLPCNH-UONOGXRCSA-N 1 2 232.302 2.728 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1ccc(Cl)cc1 ZINC000790301126 585402893 /nfs/dbraw/zinc/40/28/93/585402893.db2.gz CEVGSRUBXLIVGS-UHFFFAOYSA-N 1 2 234.690 2.520 20 30 BFEDLO C#CCCCOc1ccccc1-n1cc[nH+]c1 ZINC000766749938 585507992 /nfs/dbraw/zinc/50/79/92/585507992.db2.gz IYBOXTMXFIZBFV-UHFFFAOYSA-N 1 2 226.279 2.665 20 30 BFEDLO C#CCCC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000766895395 585509598 /nfs/dbraw/zinc/50/95/98/585509598.db2.gz KILDWFWMKDOAKX-GFCCVEGCSA-N 1 2 247.342 2.572 20 30 BFEDLO C#CCCC[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000766895395 585509599 /nfs/dbraw/zinc/50/95/99/585509599.db2.gz KILDWFWMKDOAKX-GFCCVEGCSA-N 1 2 247.342 2.572 20 30 BFEDLO Cc1ncsc1C[N@@H+](CCC#N)CC(C)C ZINC000768154897 585533162 /nfs/dbraw/zinc/53/31/62/585533162.db2.gz USYKEQWWPRPWAM-UHFFFAOYSA-N 1 2 237.372 2.823 20 30 BFEDLO Cc1ncsc1C[N@H+](CCC#N)CC(C)C ZINC000768154897 585533163 /nfs/dbraw/zinc/53/31/63/585533163.db2.gz USYKEQWWPRPWAM-UHFFFAOYSA-N 1 2 237.372 2.823 20 30 BFEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)cnc1Cl ZINC000768876062 585545197 /nfs/dbraw/zinc/54/51/97/585545197.db2.gz CDJOIFGPAJWSRE-VIFPVBQESA-N 1 2 237.734 2.635 20 30 BFEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)cnc1Cl ZINC000768876062 585545198 /nfs/dbraw/zinc/54/51/98/585545198.db2.gz CDJOIFGPAJWSRE-VIFPVBQESA-N 1 2 237.734 2.635 20 30 BFEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)cnc1Cl ZINC000768876061 585545244 /nfs/dbraw/zinc/54/52/44/585545244.db2.gz CDJOIFGPAJWSRE-SECBINFHSA-N 1 2 237.734 2.635 20 30 BFEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)cnc1Cl ZINC000768876061 585545245 /nfs/dbraw/zinc/54/52/45/585545245.db2.gz CDJOIFGPAJWSRE-SECBINFHSA-N 1 2 237.734 2.635 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cncc2ccccc21 ZINC000769330294 585553929 /nfs/dbraw/zinc/55/39/29/585553929.db2.gz DCENQCRRYNDHIT-LBPRGKRZSA-N 1 2 239.322 2.969 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cncc2ccccc21 ZINC000769330294 585553930 /nfs/dbraw/zinc/55/39/30/585553930.db2.gz DCENQCRRYNDHIT-LBPRGKRZSA-N 1 2 239.322 2.969 20 30 BFEDLO CC1(C)CCC[N@H+](CCCCCCO)[C@H]1C#N ZINC000769894637 585566157 /nfs/dbraw/zinc/56/61/57/585566157.db2.gz VZRPCFCRDOPBDT-ZDUSSCGKSA-N 1 2 238.375 2.553 20 30 BFEDLO CC1(C)CCC[N@@H+](CCCCCCO)[C@H]1C#N ZINC000769894637 585566158 /nfs/dbraw/zinc/56/61/58/585566158.db2.gz VZRPCFCRDOPBDT-ZDUSSCGKSA-N 1 2 238.375 2.553 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1cccc(F)c1Cl ZINC000769962274 585567391 /nfs/dbraw/zinc/56/73/91/585567391.db2.gz DRCLVQRSFZSODB-SECBINFHSA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccc(F)c1Cl ZINC000769962274 585567392 /nfs/dbraw/zinc/56/73/92/585567392.db2.gz DRCLVQRSFZSODB-SECBINFHSA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000769961620 585567418 /nfs/dbraw/zinc/56/74/18/585567418.db2.gz SABAEXWLSRRGHQ-SECBINFHSA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000769961620 585567419 /nfs/dbraw/zinc/56/74/19/585567419.db2.gz SABAEXWLSRRGHQ-SECBINFHSA-N 1 2 225.694 2.933 20 30 BFEDLO C=CCCC(=O)OCc1ccc(C)[nH+]c1C ZINC000772074478 585608000 /nfs/dbraw/zinc/60/80/00/585608000.db2.gz HPYKPTRCCFFJTC-UHFFFAOYSA-N 1 2 219.284 2.708 20 30 BFEDLO CCCCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000781946594 585805745 /nfs/dbraw/zinc/80/57/45/585805745.db2.gz YKDIFPJAYFTTTP-LLVKDONJSA-N 1 2 235.318 2.659 20 30 BFEDLO CCCCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000781946594 585805746 /nfs/dbraw/zinc/80/57/46/585805746.db2.gz YKDIFPJAYFTTTP-LLVKDONJSA-N 1 2 235.318 2.659 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000784451895 585860273 /nfs/dbraw/zinc/86/02/73/585860273.db2.gz MFARURNOJWMJOX-UWVGGRQHSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000784451895 585860274 /nfs/dbraw/zinc/86/02/74/585860274.db2.gz MFARURNOJWMJOX-UWVGGRQHSA-N 1 2 247.169 2.806 20 30 BFEDLO C=C(C)[C@@H](CO)[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000805804311 585890004 /nfs/dbraw/zinc/89/00/04/585890004.db2.gz PCRQDFMPUJBYCP-CYBMUJFWSA-N 1 2 237.730 2.593 20 30 BFEDLO C=C(C)[C@@H](CO)[N@H+]1Cc2cccc(Cl)c2C1 ZINC000805804311 585890005 /nfs/dbraw/zinc/89/00/05/585890005.db2.gz PCRQDFMPUJBYCP-CYBMUJFWSA-N 1 2 237.730 2.593 20 30 BFEDLO CC[N@@H+](Cc1ccc(F)nc1C)C[C@@H](C)C#N ZINC000787113018 585901395 /nfs/dbraw/zinc/90/13/95/585901395.db2.gz LDVNREMPOLLFFO-JTQLQIEISA-N 1 2 235.306 2.511 20 30 BFEDLO CC[N@H+](Cc1ccc(F)nc1C)C[C@@H](C)C#N ZINC000787113018 585901396 /nfs/dbraw/zinc/90/13/96/585901396.db2.gz LDVNREMPOLLFFO-JTQLQIEISA-N 1 2 235.306 2.511 20 30 BFEDLO C#CCCC/[NH+]=C/c1ccc(OCC)cc1O ZINC000788674196 585928908 /nfs/dbraw/zinc/92/89/08/585928908.db2.gz FNMDHKOMAYBZPH-RVDMUPIBSA-N 1 2 231.295 2.623 20 30 BFEDLO CC(N=Nc1c(F)cccc1F)c1[nH]cc[nH+]1 ZINC000790164065 585959104 /nfs/dbraw/zinc/95/91/04/585959104.db2.gz KLFPYPCGXIJBIT-UHFFFAOYSA-N 1 2 236.225 2.524 20 30 BFEDLO CC[C@H](C)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000790183676 585959988 /nfs/dbraw/zinc/95/99/88/585959988.db2.gz USCFOEKNXKAEQI-LBPRGKRZSA-N 1 2 242.326 2.594 20 30 BFEDLO CC(=NNc1[nH+]ccn1C)c1ccc(F)cc1C ZINC000790300107 585962749 /nfs/dbraw/zinc/96/27/49/585962749.db2.gz RKYBIOSXJAITEG-UHFFFAOYSA-N 1 2 246.289 2.704 20 30 BFEDLO CCCCN=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000792628975 586003312 /nfs/dbraw/zinc/00/33/12/586003312.db2.gz CLBSAKWNEBSKPB-UHFFFAOYSA-N 1 2 245.370 2.768 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000794733264 586047569 /nfs/dbraw/zinc/04/75/69/586047569.db2.gz CXZDIVAPIDONIT-UHFFFAOYSA-N 1 2 242.322 2.618 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000794733264 586047570 /nfs/dbraw/zinc/04/75/70/586047570.db2.gz CXZDIVAPIDONIT-UHFFFAOYSA-N 1 2 242.322 2.618 20 30 BFEDLO C[C@@H]1CC[C@@H](C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000794846865 586050871 /nfs/dbraw/zinc/05/08/71/586050871.db2.gz FDYKOZVKHLZTJQ-SCVIVROUSA-N 1 2 233.311 2.953 20 30 BFEDLO C[C@@H]1CC[C@H](C/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000794847195 586050919 /nfs/dbraw/zinc/05/09/19/586050919.db2.gz FQBXPNGYLNYBBW-RBMASBHUSA-N 1 2 249.310 2.659 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)Cc1cccs1 ZINC000795207637 586071783 /nfs/dbraw/zinc/07/17/83/586071783.db2.gz FHFGRFRNZVYTPW-UHFFFAOYSA-N 1 2 224.329 2.755 20 30 BFEDLO Cc1cccc(C(=O)/C=C\c2cn(C)c[nH+]2)c1C ZINC000800792904 586229544 /nfs/dbraw/zinc/22/95/44/586229544.db2.gz DPEJQOCFMREDHI-FPLPWBNLSA-N 1 2 240.306 2.933 20 30 BFEDLO CC(=NNc1ccccc1)c1cn(C)c(C)[nH+]1 ZINC000800803309 586229842 /nfs/dbraw/zinc/22/98/42/586229842.db2.gz DGLAHOLSYLXKNT-UHFFFAOYSA-N 1 2 228.299 2.565 20 30 BFEDLO CC[C@](C)(C#N)C(=O)OCc1ccc(C)[nH+]c1C ZINC000803786093 586375317 /nfs/dbraw/zinc/37/53/17/586375317.db2.gz XSPBHIAFGHVEES-CQSZACIVSA-N 1 2 246.310 2.682 20 30 BFEDLO C[C@@H]1c2ccccc2C(=O)/C1=C/c1cn(C)c[nH+]1 ZINC000809156586 586500212 /nfs/dbraw/zinc/50/02/12/586500212.db2.gz MOLYRDSAYBLBSW-FBWGLTFQSA-N 1 2 238.290 2.804 20 30 BFEDLO C#Cc1ccc(CNc2[nH+]cccc2OC)cc1 ZINC000809630730 586509981 /nfs/dbraw/zinc/50/99/81/586509981.db2.gz HVHJHSFIDMKBKS-UHFFFAOYSA-N 1 2 238.290 2.684 20 30 BFEDLO Cc1cc[nH+]cc1CCC=NOCC1CC1 ZINC000814243976 586619909 /nfs/dbraw/zinc/61/99/09/586619909.db2.gz WTVLNOWRMPJFTI-UHFFFAOYSA-N 1 2 218.300 2.735 20 30 BFEDLO CC(=[NH+]OCC1CC1)c1cc(F)c(N)c(F)c1 ZINC000814941039 586656154 /nfs/dbraw/zinc/65/61/54/586656154.db2.gz MEQMPHVVAWKKQB-UHFFFAOYSA-N 1 2 240.253 2.698 20 30 BFEDLO C=CCOc1ccccc1C[N@H+](C)CCF ZINC000816639669 586746668 /nfs/dbraw/zinc/74/66/68/586746668.db2.gz AXVLQBPWTCAZHT-UHFFFAOYSA-N 1 2 223.291 2.653 20 30 BFEDLO C=CCOc1ccccc1C[N@@H+](C)CCF ZINC000816639669 586746671 /nfs/dbraw/zinc/74/66/71/586746671.db2.gz AXVLQBPWTCAZHT-UHFFFAOYSA-N 1 2 223.291 2.653 20 30 BFEDLO FC(F)CON=C1CCc2ccc[nH+]c2CC1 ZINC000817326924 586794788 /nfs/dbraw/zinc/79/47/88/586794788.db2.gz YIFSUMPNSYSNSE-UHFFFAOYSA-N 1 2 240.253 2.598 20 30 BFEDLO Oc1cccc(/C=[NH+]/C[C@@H]2C[C@H]2C2CCC2)c1O ZINC000818991653 586920572 /nfs/dbraw/zinc/92/05/72/586920572.db2.gz HHULTBILFXGWAJ-FJPKCYBQSA-N 1 2 245.322 2.953 20 30 BFEDLO Oc1cccc(/C=[NH+]\C[C@@H]2C[C@H]2C2CCC2)c1O ZINC000818991654 586920715 /nfs/dbraw/zinc/92/07/15/586920715.db2.gz HHULTBILFXGWAJ-GKUYHTSYSA-N 1 2 245.322 2.953 20 30 BFEDLO CCC(CC)CNN=Cc1c[nH+]cn1C(C)C ZINC000819809512 586996415 /nfs/dbraw/zinc/99/64/15/586996415.db2.gz IMJAMRKPDWSUGC-UHFFFAOYSA-N 1 2 236.363 2.824 20 30 BFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000821785792 587138127 /nfs/dbraw/zinc/13/81/27/587138127.db2.gz HDZUAZLWTVUPIB-UTUOFQBUSA-N 1 2 247.342 2.607 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1c(F)cc(C)cc1F ZINC000822476755 587170431 /nfs/dbraw/zinc/17/04/31/587170431.db2.gz VNVARIAIAFQTQZ-SNVBAGLBSA-N 1 2 223.266 2.727 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(F)cc(C)cc1F ZINC000822476755 587170432 /nfs/dbraw/zinc/17/04/32/587170432.db2.gz VNVARIAIAFQTQZ-SNVBAGLBSA-N 1 2 223.266 2.727 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)ncc1F ZINC000824302230 587265500 /nfs/dbraw/zinc/26/55/00/587265500.db2.gz SJTDMCMIOLBLTD-LLVKDONJSA-N 1 2 238.281 2.900 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ncc1F ZINC000824302230 587265502 /nfs/dbraw/zinc/26/55/02/587265502.db2.gz SJTDMCMIOLBLTD-LLVKDONJSA-N 1 2 238.281 2.900 20 30 BFEDLO C#CC[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000826578893 587355532 /nfs/dbraw/zinc/35/55/32/587355532.db2.gz NPDZCUCUMDTOLC-GFCCVEGCSA-N 1 2 239.322 2.803 20 30 BFEDLO C=C(Cl)C[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000830833107 587572973 /nfs/dbraw/zinc/57/29/73/587572973.db2.gz WGMKZIPGGVQRBF-LLVKDONJSA-N 1 2 229.751 2.772 20 30 BFEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000830833107 587572974 /nfs/dbraw/zinc/57/29/74/587572974.db2.gz WGMKZIPGGVQRBF-LLVKDONJSA-N 1 2 229.751 2.772 20 30 BFEDLO CCCCCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000832196196 587649532 /nfs/dbraw/zinc/64/95/32/587649532.db2.gz OTUFIAXSKSSWNP-NSHDSACASA-N 1 2 237.334 2.905 20 30 BFEDLO CCCCCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000832196196 587649533 /nfs/dbraw/zinc/64/95/33/587649533.db2.gz OTUFIAXSKSSWNP-NSHDSACASA-N 1 2 237.334 2.905 20 30 BFEDLO CC(C)=CCC/C(C)=C/C=[NH+]n1ccnn1 ZINC000835012862 587777966 /nfs/dbraw/zinc/77/79/66/587777966.db2.gz YCPMGATXEYKQFA-SNEGTEOWSA-N 1 2 218.304 2.805 20 30 BFEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@@H](C)F)c1 ZINC000840704936 587916856 /nfs/dbraw/zinc/91/68/56/587916856.db2.gz DDSWTNMHPHNYGX-KXUVPBGPSA-N 1 2 239.290 2.958 20 30 BFEDLO C=CCC(C)(C)C/[NH+]=C\c1ccc(O)c(O)c1O ZINC000840707446 587917126 /nfs/dbraw/zinc/91/71/26/587917126.db2.gz VCBNVMYCMQJNRW-NVNXTCNLSA-N 1 2 249.310 2.825 20 30 BFEDLO CC(C)[C@@H]1C[C@H]1/[NH+]=C/c1cccc(O)c1O ZINC000840710588 587917342 /nfs/dbraw/zinc/91/73/42/587917342.db2.gz KQRVUZMMNOZWGI-QQUKIDOTSA-N 1 2 219.284 2.561 20 30 BFEDLO N#CC1(C[NH2+]Cc2cccnc2Cl)CCC1 ZINC000841898936 587982587 /nfs/dbraw/zinc/98/25/87/587982587.db2.gz QQJSHFSLGPCKBD-UHFFFAOYSA-N 1 2 235.718 2.518 20 30 BFEDLO Oc1cccc(/C=[NH+]/[C@@H]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000843263284 588095962 /nfs/dbraw/zinc/09/59/62/588095962.db2.gz JFOIUPSBXFIZTJ-DPJUJODUSA-N 1 2 231.295 2.705 20 30 BFEDLO C[C@@H]1CCC[C@H]1/[NH+]=C/c1ccccc1O ZINC000105356666 588142911 /nfs/dbraw/zinc/14/29/11/588142911.db2.gz HXRMSQFUIYIQOJ-NPOOOHJJSA-N 1 2 203.285 3.000 20 30 BFEDLO C=C(Cl)C[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC000844388226 588188856 /nfs/dbraw/zinc/18/88/56/588188856.db2.gz QFJFJQVVZYTXND-MNOVXSKESA-N 1 2 217.740 2.628 20 30 BFEDLO C=C(Cl)C[N@@H+]1C[C@H](CC)OC[C@H]1CC ZINC000844388226 588188857 /nfs/dbraw/zinc/18/88/57/588188857.db2.gz QFJFJQVVZYTXND-MNOVXSKESA-N 1 2 217.740 2.628 20 30 BFEDLO C=CCC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845285219 588225706 /nfs/dbraw/zinc/22/57/06/588225706.db2.gz QCVXUQGYKQVAKT-NEPJUHHUSA-N 1 2 236.315 2.732 20 30 BFEDLO C=CCC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845285221 588225848 /nfs/dbraw/zinc/22/58/48/588225848.db2.gz QCVXUQGYKQVAKT-NWDGAFQWSA-N 1 2 236.315 2.732 20 30 BFEDLO Oc1cccc(/C=[NH+]/CCCC2CC2)c1O ZINC000846757490 588286229 /nfs/dbraw/zinc/28/62/29/588286229.db2.gz ZHPLEMWKMWXVOX-NTEUORMPSA-N 1 2 219.284 2.707 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000847022786 588303405 /nfs/dbraw/zinc/30/34/05/588303405.db2.gz XXVPKJUOQKVIMS-WPVMNKCKSA-N 1 2 218.127 2.651 20 30 BFEDLO C#C[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000847022786 588303406 /nfs/dbraw/zinc/30/34/06/588303406.db2.gz XXVPKJUOQKVIMS-WPVMNKCKSA-N 1 2 218.127 2.651 20 30 BFEDLO CCCCCCCc1nc(C[NH2+]CC)no1 ZINC000106948587 588317215 /nfs/dbraw/zinc/31/72/15/588317215.db2.gz LBJSXAREUOGRDL-UHFFFAOYSA-N 1 2 225.336 2.692 20 30 BFEDLO CC(C)(C)[C@@H]1CCC1=NNCCCn1cc[nH+]c1 ZINC000848417402 588381713 /nfs/dbraw/zinc/38/17/13/588381713.db2.gz YGZXZTZKRBDGKD-GFCCVEGCSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@@H]1CCCC[C@@H]1C=NNCCCn1cc[nH+]c1 ZINC000848417415 588382065 /nfs/dbraw/zinc/38/20/65/588382065.db2.gz YRSRZLHLYXFYCX-ZIAGYGMSSA-N 1 2 248.374 2.675 20 30 BFEDLO CC1(C)CCC(N=NCCCn2cc[nH+]c2)CC1 ZINC000848418026 588382331 /nfs/dbraw/zinc/38/23/31/588382331.db2.gz IURYKOWBXQBOLY-UHFFFAOYSA-N 1 2 248.374 2.819 20 30 BFEDLO C[C@H]1CCC[C@H](C=NNCCCn2cc[nH+]c2)C1 ZINC000848417623 588382486 /nfs/dbraw/zinc/38/24/86/588382486.db2.gz CGXARLPAXSLJJN-KBPBESRZSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@H]1CCC[C@@H](C=NNCCCn2cc[nH+]c2)C1 ZINC000848417626 588382622 /nfs/dbraw/zinc/38/26/22/588382622.db2.gz CGXARLPAXSLJJN-UONOGXRCSA-N 1 2 248.374 2.675 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1cnc(Cl)n1C ZINC000848906835 588419412 /nfs/dbraw/zinc/41/94/12/588419412.db2.gz DEEGOEAWAUXJJW-JTQLQIEISA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)n1C ZINC000848906835 588419413 /nfs/dbraw/zinc/41/94/13/588419413.db2.gz DEEGOEAWAUXJJW-JTQLQIEISA-N 1 2 239.750 2.614 20 30 BFEDLO CC[C@@H](/[NH+]=C\c1cccc(O)c1O)C1CC1 ZINC000849172149 588459710 /nfs/dbraw/zinc/45/97/10/588459710.db2.gz MYCQKYJEVPGPRZ-ZEVOCZHWSA-N 1 2 219.284 2.705 20 30 BFEDLO CC(C)(F)CC/[NH+]=C/c1ccccc1O ZINC000849172081 588459915 /nfs/dbraw/zinc/45/99/15/588459915.db2.gz LTFQRYYIEBZUGL-NTEUORMPSA-N 1 2 209.264 2.949 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\CCC(C)(C)F)c1 ZINC000849172138 588460077 /nfs/dbraw/zinc/46/00/77/588460077.db2.gz MVEMLMRWESYGES-DHDCSXOGSA-N 1 2 239.290 2.958 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)CC=C(Cl)Cl ZINC000851986069 588651893 /nfs/dbraw/zinc/65/18/93/588651893.db2.gz AGBUCOVWQKLVGP-UHFFFAOYSA-N 1 2 206.116 2.649 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1cc(C2CC2)no1 ZINC000851779054 588627072 /nfs/dbraw/zinc/62/70/72/588627072.db2.gz PPYDXKGEOYENQQ-UHFFFAOYSA-N 1 2 247.342 2.924 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(C2CC2)no1 ZINC000851779054 588627073 /nfs/dbraw/zinc/62/70/73/588627073.db2.gz PPYDXKGEOYENQQ-UHFFFAOYSA-N 1 2 247.342 2.924 20 30 BFEDLO C#CC(C)(C)[N@H+](C)CC=C(Cl)Cl ZINC000851986069 588651892 /nfs/dbraw/zinc/65/18/92/588651892.db2.gz AGBUCOVWQKLVGP-UHFFFAOYSA-N 1 2 206.116 2.649 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000852099322 588662815 /nfs/dbraw/zinc/66/28/15/588662815.db2.gz JVNJFMFQJZIYRG-HZMBPMFUSA-N 1 2 249.358 2.820 20 30 BFEDLO C#C[C@](C)(CC)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC000852099122 588662819 /nfs/dbraw/zinc/66/28/19/588662819.db2.gz FGXRQDXLVSNGHQ-CQSZACIVSA-N 1 2 234.343 2.864 20 30 BFEDLO C#CC[C@H]1CCC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000852206478 588671929 /nfs/dbraw/zinc/67/19/29/588671929.db2.gz KSHCLOOMGHLSTR-HOCLYGCPSA-N 1 2 238.334 2.987 20 30 BFEDLO C#CC[C@H]1CCC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000852206478 588671930 /nfs/dbraw/zinc/67/19/30/588671930.db2.gz KSHCLOOMGHLSTR-HOCLYGCPSA-N 1 2 238.334 2.987 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000852320142 588678218 /nfs/dbraw/zinc/67/82/18/588678218.db2.gz XEDODZGSBFPBDV-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000852320142 588678219 /nfs/dbraw/zinc/67/82/19/588678219.db2.gz XEDODZGSBFPBDV-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO C=CC[N@H+](C/C(Cl)=C/Cl)[C@@H](C)COC ZINC000852356871 588679509 /nfs/dbraw/zinc/67/95/09/588679509.db2.gz QFPGAUUFPBOKFR-LKJZUNMESA-N 1 2 238.158 2.828 20 30 BFEDLO C=CC[N@@H+](C/C(Cl)=C/Cl)[C@@H](C)COC ZINC000852356871 588679510 /nfs/dbraw/zinc/67/95/10/588679510.db2.gz QFPGAUUFPBOKFR-LKJZUNMESA-N 1 2 238.158 2.828 20 30 BFEDLO CCCCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000852412906 588681156 /nfs/dbraw/zinc/68/11/56/588681156.db2.gz LPIYGNMNUNSYFM-NSHDSACASA-N 1 2 235.318 2.659 20 30 BFEDLO CCCCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000852412906 588681157 /nfs/dbraw/zinc/68/11/57/588681157.db2.gz LPIYGNMNUNSYFM-NSHDSACASA-N 1 2 235.318 2.659 20 30 BFEDLO CCCCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000852412905 588681212 /nfs/dbraw/zinc/68/12/12/588681212.db2.gz LPIYGNMNUNSYFM-LLVKDONJSA-N 1 2 235.318 2.659 20 30 BFEDLO CCCCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000852412905 588681213 /nfs/dbraw/zinc/68/12/13/588681213.db2.gz LPIYGNMNUNSYFM-LLVKDONJSA-N 1 2 235.318 2.659 20 30 BFEDLO C#CC[N@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000852548229 588689314 /nfs/dbraw/zinc/68/93/14/588689314.db2.gz RKABEHOYMSJERJ-AWEZNQCLSA-N 1 2 247.313 2.611 20 30 BFEDLO C#CC[N@@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000852548229 588689315 /nfs/dbraw/zinc/68/93/15/588689315.db2.gz RKABEHOYMSJERJ-AWEZNQCLSA-N 1 2 247.313 2.611 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(C2CC2)o1 ZINC000862213741 589194761 /nfs/dbraw/zinc/19/47/61/589194761.db2.gz UPDCDBAIHZFLLL-UHFFFAOYSA-N 1 2 247.342 2.924 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(C2CC2)o1 ZINC000862213741 589194763 /nfs/dbraw/zinc/19/47/63/589194763.db2.gz UPDCDBAIHZFLLL-UHFFFAOYSA-N 1 2 247.342 2.924 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc2cc[nH]c2c1 ZINC000862211698 589194767 /nfs/dbraw/zinc/19/47/67/589194767.db2.gz KXTHMTDCDPUSME-UHFFFAOYSA-N 1 2 213.284 2.513 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc2cc[nH]c2c1 ZINC000862211698 589194769 /nfs/dbraw/zinc/19/47/69/589194769.db2.gz KXTHMTDCDPUSME-UHFFFAOYSA-N 1 2 213.284 2.513 20 30 BFEDLO Cc1c(F)nccc1C[N@@H+](CCC#N)C(C)C ZINC000862227220 589195922 /nfs/dbraw/zinc/19/59/22/589195922.db2.gz XIMNJNNGOAALJQ-UHFFFAOYSA-N 1 2 235.306 2.653 20 30 BFEDLO Cc1c(F)nccc1C[N@H+](CCC#N)C(C)C ZINC000862227220 589195923 /nfs/dbraw/zinc/19/59/23/589195923.db2.gz XIMNJNNGOAALJQ-UHFFFAOYSA-N 1 2 235.306 2.653 20 30 BFEDLO CC(CSC(C)(C)C)=[NH+]n1cccn1 ZINC000863166152 589267301 /nfs/dbraw/zinc/26/73/01/589267301.db2.gz VAAZSAISFBSCAB-UHFFFAOYSA-N 1 2 211.334 2.639 20 30 BFEDLO C=CCCC[N@@H+](C)Cn1ncsc1=S ZINC000119745163 589329206 /nfs/dbraw/zinc/32/92/06/589329206.db2.gz RKULXSQRHYGJJP-UHFFFAOYSA-N 1 2 229.374 2.530 20 30 BFEDLO C=CCCC[N@H+](C)Cn1ncsc1=S ZINC000119745163 589329207 /nfs/dbraw/zinc/32/92/07/589329207.db2.gz RKULXSQRHYGJJP-UHFFFAOYSA-N 1 2 229.374 2.530 20 30 BFEDLO CS[C@H]1C[C@H](/[NH+]=C\c2ccccc2O)C1 ZINC000864347805 589354770 /nfs/dbraw/zinc/35/47/70/589354770.db2.gz XORAYQGSFPLVHW-MMZBNDTGSA-N 1 2 221.325 2.705 20 30 BFEDLO CC(C)(C)c1cn(CC2(C#N)CCC2)c[nH+]1 ZINC000865376356 589428535 /nfs/dbraw/zinc/42/85/35/589428535.db2.gz KNQMWUBOQUFICE-UHFFFAOYSA-N 1 2 217.316 2.874 20 30 BFEDLO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(C#N)c1O ZINC000866295515 589484713 /nfs/dbraw/zinc/48/47/13/589484713.db2.gz DVAJGXWADYNMMY-PWSUYJOCSA-N 1 2 244.338 2.961 20 30 BFEDLO C[C@@H]([NH2+]CCC1CC1)c1cccc(C#N)c1O ZINC000866303784 589485131 /nfs/dbraw/zinc/48/51/31/589485131.db2.gz PZAAABUOBWNYRY-SNVBAGLBSA-N 1 2 230.311 2.715 20 30 BFEDLO CCOC1CC2(C[C@H]2/[NH+]=C/c2ccccc2O)C1 ZINC000871598484 589772497 /nfs/dbraw/zinc/77/24/97/589772497.db2.gz QKZCWABUQWGXJA-WIGVKREOSA-N 1 2 245.322 2.769 20 30 BFEDLO C=CCSCc1[nH+]ccn1CC(F)F ZINC000871697965 589793903 /nfs/dbraw/zinc/79/39/03/589793903.db2.gz DJYGLMQWSKYOBA-UHFFFAOYSA-N 1 2 218.272 2.567 20 30 BFEDLO C(=NOC1CCCCC1)c1c[nH]c2nc[nH+]cc12 ZINC000872366255 589921392 /nfs/dbraw/zinc/92/13/92/589921392.db2.gz UQJNOPSCBNRSLU-UHFFFAOYSA-N 1 2 244.298 2.593 20 30 BFEDLO C#C[C@H]1CC[C@H](Nc2ccc([C@H](C)O)c[nH+]2)CC1 ZINC000872778607 589969408 /nfs/dbraw/zinc/96/94/08/589969408.db2.gz CPWQLXYSFZJCEG-OBJOEFQTSA-N 1 2 244.338 2.739 20 30 BFEDLO C#C[C@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000872780463 589969711 /nfs/dbraw/zinc/96/97/11/589969711.db2.gz KSHSYSIVKQDKQI-AULYBMBSSA-N 1 2 241.338 2.958 20 30 BFEDLO N#Cc1cnc(Cl)c(C[NH+]2CCCCC2)c1 ZINC000876817370 590245818 /nfs/dbraw/zinc/24/58/18/590245818.db2.gz GECYZOCLAUTTKR-UHFFFAOYSA-N 1 2 235.718 2.593 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000877321452 590316174 /nfs/dbraw/zinc/31/61/74/590316174.db2.gz KXUNEVYBMLARTI-VIFPVBQESA-N 1 2 237.372 2.690 20 30 BFEDLO C=CC[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000877329400 590317934 /nfs/dbraw/zinc/31/79/34/590317934.db2.gz QRSMXNKAHYALEV-UHFFFAOYSA-N 1 2 247.729 2.757 20 30 BFEDLO C=CC[N@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000877329400 590317937 /nfs/dbraw/zinc/31/79/37/590317937.db2.gz QRSMXNKAHYALEV-UHFFFAOYSA-N 1 2 247.729 2.757 20 30 BFEDLO C#CCCCCCC[N@H+]1CC[C@@](F)(C#N)C1 ZINC000877464509 590332929 /nfs/dbraw/zinc/33/29/29/590332929.db2.gz KONCQCAGMOHILI-CYBMUJFWSA-N 1 2 222.307 2.508 20 30 BFEDLO C#CCCCCCC[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000877464509 590332932 /nfs/dbraw/zinc/33/29/32/590332932.db2.gz KONCQCAGMOHILI-CYBMUJFWSA-N 1 2 222.307 2.508 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000877483537 590338067 /nfs/dbraw/zinc/33/80/67/590338067.db2.gz OXESSHFXZJHKMK-NSHDSACASA-N 1 2 237.734 2.671 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000877483537 590338069 /nfs/dbraw/zinc/33/80/69/590338069.db2.gz OXESSHFXZJHKMK-NSHDSACASA-N 1 2 237.734 2.671 20 30 BFEDLO CC(C)(C)c1csc(C[NH2+]CC2(C#N)CC2)n1 ZINC000877494733 590340615 /nfs/dbraw/zinc/34/06/15/590340615.db2.gz SIRFFDLZWXATCO-UHFFFAOYSA-N 1 2 249.383 2.834 20 30 BFEDLO CCC1(C)C[NH+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877582159 590365912 /nfs/dbraw/zinc/36/59/12/590365912.db2.gz LBRBAASKUHEFCW-UHFFFAOYSA-N 1 2 249.745 2.839 20 30 BFEDLO N#CC[N@@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC000878032795 590476302 /nfs/dbraw/zinc/47/63/02/590476302.db2.gz OOLSLGXWXALUAT-SNVBAGLBSA-N 1 2 228.286 2.800 20 30 BFEDLO N#CC[N@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC000878032795 590476304 /nfs/dbraw/zinc/47/63/04/590476304.db2.gz OOLSLGXWXALUAT-SNVBAGLBSA-N 1 2 228.286 2.800 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(C)c(Cl)n1 ZINC000878159849 590510184 /nfs/dbraw/zinc/51/01/84/590510184.db2.gz XOVLGIYRZHAIFI-UHFFFAOYSA-N 1 2 237.734 2.779 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(C)c(Cl)n1 ZINC000878159849 590510185 /nfs/dbraw/zinc/51/01/85/590510185.db2.gz XOVLGIYRZHAIFI-UHFFFAOYSA-N 1 2 237.734 2.779 20 30 BFEDLO C=C/C=C\CC[N@H+](CCC#N)Cc1ccccn1 ZINC000878167439 590514302 /nfs/dbraw/zinc/51/43/02/590514302.db2.gz FBJBZGTXOXDTJM-ARJAWSKDSA-N 1 2 241.338 2.930 20 30 BFEDLO C=C/C=C\CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000878167439 590514304 /nfs/dbraw/zinc/51/43/04/590514304.db2.gz FBJBZGTXOXDTJM-ARJAWSKDSA-N 1 2 241.338 2.930 20 30 BFEDLO C=CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000878348664 590552952 /nfs/dbraw/zinc/55/29/52/590552952.db2.gz SHCQMTBFPMOTRE-TZMCWYRMSA-N 1 2 247.338 2.763 20 30 BFEDLO CC(C)(C)SCCC[NH+]1CC(C)(C#N)C1 ZINC000878545383 590590101 /nfs/dbraw/zinc/59/01/01/590590101.db2.gz IZZMVLZAPXAVAW-UHFFFAOYSA-N 1 2 226.389 2.754 20 30 BFEDLO C=C(C)CSCc1cc[nH+]c(N(C)C)c1 ZINC000127623952 590720736 /nfs/dbraw/zinc/72/07/36/590720736.db2.gz GOFLEJZLDVMEDQ-UHFFFAOYSA-N 1 2 222.357 2.957 20 30 BFEDLO C[N@H+](Cc1ccnc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000879309875 590735212 /nfs/dbraw/zinc/73/52/12/590735212.db2.gz YCXGBQFQFWMSAN-NEPJUHHUSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccnc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000879309875 590735214 /nfs/dbraw/zinc/73/52/14/590735214.db2.gz YCXGBQFQFWMSAN-NEPJUHHUSA-N 1 2 249.745 2.859 20 30 BFEDLO C=C(CC)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879502284 590783162 /nfs/dbraw/zinc/78/31/62/590783162.db2.gz XYDOSNNMQNVDNF-JTQLQIEISA-N 1 2 237.265 2.606 20 30 BFEDLO C=C(CC)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879502284 590783165 /nfs/dbraw/zinc/78/31/65/590783165.db2.gz XYDOSNNMQNVDNF-JTQLQIEISA-N 1 2 237.265 2.606 20 30 BFEDLO C=CC[C@@H](CC)Nc1cc[nH+]c(CC)n1 ZINC000884497380 591956853 /nfs/dbraw/zinc/95/68/53/591956853.db2.gz XBYFJHSEGNHALW-SNVBAGLBSA-N 1 2 205.305 2.806 20 30 BFEDLO C=C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000134929096 591962349 /nfs/dbraw/zinc/96/23/49/591962349.db2.gz OBRXCJAGCKXPKF-HTQZYQBOSA-N 1 2 227.254 2.896 20 30 BFEDLO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134929057 591962415 /nfs/dbraw/zinc/96/24/15/591962415.db2.gz OBRXCJAGCKXPKF-SFYZADRCSA-N 1 2 227.254 2.896 20 30 BFEDLO CCc1nc(N[C@H]2CC[C@@H](CC#N)C2)cc[nH+]1 ZINC000884520060 591965306 /nfs/dbraw/zinc/96/53/06/591965306.db2.gz LNZGYHDNGZHESS-QWRGUYRKSA-N 1 2 230.315 2.533 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCSC(F)(F)F ZINC000886215774 592177876 /nfs/dbraw/zinc/17/78/76/592177876.db2.gz QSNNSPNZLXTGSD-UHFFFAOYSA-N 1 2 238.278 2.641 20 30 BFEDLO C=CC[N@H+](CCC#N)CCSC(F)(F)F ZINC000886215774 592177877 /nfs/dbraw/zinc/17/78/77/592177877.db2.gz QSNNSPNZLXTGSD-UHFFFAOYSA-N 1 2 238.278 2.641 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ncco1 ZINC000886532016 592248801 /nfs/dbraw/zinc/24/88/01/592248801.db2.gz BTPGRHSNXZFBBB-WDEREUQCSA-N 1 2 241.294 2.958 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ncco1 ZINC000886539239 592252530 /nfs/dbraw/zinc/25/25/30/592252530.db2.gz WWROTMQVNXOBCZ-WDEREUQCSA-N 1 2 241.294 2.958 20 30 BFEDLO CCCCOc1ccccc1C[NH2+]CCC#N ZINC000425974609 635655519 /nfs/dbraw/zinc/65/55/19/635655519.db2.gz DPZHKUNKUDIRQX-UHFFFAOYSA-N 1 2 232.327 2.869 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1C/C(Cl)=C/Cl ZINC000934460348 631854546 /nfs/dbraw/zinc/85/45/46/631854546.db2.gz LLRCDQKCBZMFGT-XZLDQRQTSA-N 1 2 206.116 2.956 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1C/C(Cl)=C/Cl ZINC000934460348 631854550 /nfs/dbraw/zinc/85/45/50/631854550.db2.gz LLRCDQKCBZMFGT-XZLDQRQTSA-N 1 2 206.116 2.956 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(C(C)C)no1 ZINC000934471611 631864105 /nfs/dbraw/zinc/86/41/05/631864105.db2.gz VQSROEMGFUGHOD-WDEREUQCSA-N 1 2 235.331 2.904 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(C(C)C)no1 ZINC000934471611 631864107 /nfs/dbraw/zinc/86/41/07/631864107.db2.gz VQSROEMGFUGHOD-WDEREUQCSA-N 1 2 235.331 2.904 20 30 BFEDLO N#CCC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000309555174 633198916 /nfs/dbraw/zinc/19/89/16/633198916.db2.gz HIQUEKWJXKXCDA-UHFFFAOYSA-N 1 2 249.364 2.875 20 30 BFEDLO C=C[C@H](CC)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000895504711 636153301 /nfs/dbraw/zinc/15/33/01/636153301.db2.gz CNOFFPATNCKPOY-LLVKDONJSA-N 1 2 243.310 2.875 20 30 BFEDLO C#C[C@H](CC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000310038430 634064566 /nfs/dbraw/zinc/06/45/66/634064566.db2.gz WBTABOVCOVYHIF-SNVBAGLBSA-N 1 2 241.693 2.686 20 30 BFEDLO C=C(Cl)C[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187234523 634099638 /nfs/dbraw/zinc/09/96/38/634099638.db2.gz POAGUKZCTXRBLB-HNNXBMFYSA-N 1 2 243.759 2.700 20 30 BFEDLO C=CCN(CCC#N)Cc1cc(C)cc(C)[nH+]1 ZINC000930540610 639807740 /nfs/dbraw/zinc/80/77/40/639807740.db2.gz GPRAXLCJDDTDFK-UHFFFAOYSA-N 1 2 229.327 2.600 20 30 BFEDLO CC[N@H+](CCCC(C)(F)F)[C@@H](C)C#N ZINC000931057380 640032167 /nfs/dbraw/zinc/03/21/67/640032167.db2.gz WPTMQGLRULHLMB-VIFPVBQESA-N 1 2 204.264 2.656 20 30 BFEDLO CC[N@@H+](CCCC(C)(F)F)[C@@H](C)C#N ZINC000931057380 640032170 /nfs/dbraw/zinc/03/21/70/640032170.db2.gz WPTMQGLRULHLMB-VIFPVBQESA-N 1 2 204.264 2.656 20 30 BFEDLO CCCCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134988 640070925 /nfs/dbraw/zinc/07/09/25/640070925.db2.gz RAQGVBUKGMLSNF-LBPRGKRZSA-N 1 2 236.363 2.912 20 30 BFEDLO CCCCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134988 640070931 /nfs/dbraw/zinc/07/09/31/640070931.db2.gz RAQGVBUKGMLSNF-LBPRGKRZSA-N 1 2 236.363 2.912 20 30 BFEDLO C=CCCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140437 640074447 /nfs/dbraw/zinc/07/44/47/640074447.db2.gz MWBGUAMNBSNDRC-LBPRGKRZSA-N 1 2 234.347 2.688 20 30 BFEDLO C=CCCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931140437 640074451 /nfs/dbraw/zinc/07/44/51/640074451.db2.gz MWBGUAMNBSNDRC-LBPRGKRZSA-N 1 2 234.347 2.688 20 30 BFEDLO N#CC1CCC(C[N@H+]2CC[C@@H]2C(F)F)CC1 ZINC000931424511 640192889 /nfs/dbraw/zinc/19/28/89/640192889.db2.gz HTSIZDOMXKHWAD-VQXHTEKXSA-N 1 2 228.286 2.656 20 30 BFEDLO N#CC1CCC(C[N@@H+]2CC[C@@H]2C(F)F)CC1 ZINC000931424511 640192890 /nfs/dbraw/zinc/19/28/90/640192890.db2.gz HTSIZDOMXKHWAD-VQXHTEKXSA-N 1 2 228.286 2.656 20 30 BFEDLO C#CC[N@H+](Cc1csc(C2CC2)n1)C(C)C ZINC000932388590 640512697 /nfs/dbraw/zinc/51/26/97/640512697.db2.gz OYZCDYWGBZLNDX-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO C#CC[N@@H+](Cc1csc(C2CC2)n1)C(C)C ZINC000932388590 640512704 /nfs/dbraw/zinc/51/27/04/640512704.db2.gz OYZCDYWGBZLNDX-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO CC[C@@H]([NH2+]CCC#N)c1cc(F)ccc1OC ZINC000932476701 640542610 /nfs/dbraw/zinc/54/26/10/640542610.db2.gz JONTVIGJHDKUJQ-GFCCVEGCSA-N 1 2 236.290 2.789 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933624837 640735880 /nfs/dbraw/zinc/73/58/80/640735880.db2.gz ZZKCFJSZQPYNDB-HNNXBMFYSA-N 1 2 242.322 2.508 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933624837 640735886 /nfs/dbraw/zinc/73/58/86/640735886.db2.gz ZZKCFJSZQPYNDB-HNNXBMFYSA-N 1 2 242.322 2.508 20 30 BFEDLO Cc1ncoc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770843 640765107 /nfs/dbraw/zinc/76/51/07/640765107.db2.gz UEGWPAAQEQQPTM-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO Cc1ncoc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770843 640765109 /nfs/dbraw/zinc/76/51/09/640765109.db2.gz UEGWPAAQEQQPTM-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000934461192 641154798 /nfs/dbraw/zinc/15/47/98/641154798.db2.gz KXOLAGXTGYNKTP-GFCCVEGCSA-N 1 2 218.300 2.702 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1Cc1coc(C2CC2)n1 ZINC000934461192 641154805 /nfs/dbraw/zinc/15/48/05/641154805.db2.gz KXOLAGXTGYNKTP-GFCCVEGCSA-N 1 2 218.300 2.702 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1Cc1cnc(Cl)s1 ZINC000934466205 641160694 /nfs/dbraw/zinc/16/06/94/641160694.db2.gz QATZDNVRKYJBST-QMMMGPOBSA-N 1 2 228.748 2.947 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000934466205 641160702 /nfs/dbraw/zinc/16/07/02/641160702.db2.gz QATZDNVRKYJBST-QMMMGPOBSA-N 1 2 228.748 2.947 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000934513704 641180027 /nfs/dbraw/zinc/18/00/27/641180027.db2.gz BXGJRAFJMJKULP-AWEZNQCLSA-N 1 2 242.297 2.685 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000934513704 641180029 /nfs/dbraw/zinc/18/00/29/641180029.db2.gz BXGJRAFJMJKULP-AWEZNQCLSA-N 1 2 242.297 2.685 20 30 BFEDLO C#CCCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919151574 642303659 /nfs/dbraw/zinc/30/36/59/642303659.db2.gz SHMPHSGKHHCLDH-UHFFFAOYSA-N 1 2 224.307 2.887 20 30 BFEDLO C#CC[N@@H+](CC(=C)Br)C1CCCC1 ZINC000154957112 642327029 /nfs/dbraw/zinc/32/70/29/642327029.db2.gz WXUSJKBZHRKARS-UHFFFAOYSA-N 1 2 242.160 2.773 20 30 BFEDLO C#CC[N@H+](CC(=C)Br)C1CCCC1 ZINC000154957112 642327036 /nfs/dbraw/zinc/32/70/36/642327036.db2.gz WXUSJKBZHRKARS-UHFFFAOYSA-N 1 2 242.160 2.773 20 30 BFEDLO COc1cccc(/C=[NH+]/C[C@H](C)C2CC2)c1O ZINC000920177804 642448294 /nfs/dbraw/zinc/44/82/94/642448294.db2.gz LACJYCBGUNLBON-CNOAHFENSA-N 1 2 233.311 2.866 20 30 BFEDLO C[C@@H]1CCC(=O)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000932879985 643602115 /nfs/dbraw/zinc/60/21/15/643602115.db2.gz UWLGCCBCRZVCSX-CYBMUJFWSA-N 1 2 248.370 2.904 20 30 BFEDLO C[C@@H]1CCC(=O)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000932879985 643602123 /nfs/dbraw/zinc/60/21/23/643602123.db2.gz UWLGCCBCRZVCSX-CYBMUJFWSA-N 1 2 248.370 2.904 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921755842 643774390 /nfs/dbraw/zinc/77/43/90/643774390.db2.gz CZVPVFGGSZXTHQ-UHFFFAOYSA-N 1 2 246.141 2.783 20 30 BFEDLO Cc1ccc(O)c(C[N@H+](CC#N)C2CCCC2)c1 ZINC000093563370 644696578 /nfs/dbraw/zinc/69/65/78/644696578.db2.gz IGGLIROKOUFUKC-UHFFFAOYSA-N 1 2 244.338 2.969 20 30 BFEDLO Cc1ccc(O)c(C[N@@H+](CC#N)C2CCCC2)c1 ZINC000093563370 644696583 /nfs/dbraw/zinc/69/65/83/644696583.db2.gz IGGLIROKOUFUKC-UHFFFAOYSA-N 1 2 244.338 2.969 20 30 BFEDLO CC[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(C#N)c1O ZINC000926615942 645316845 /nfs/dbraw/zinc/31/68/45/645316845.db2.gz QGHCKISNFACRBU-OLZOCXBDSA-N 1 2 242.322 2.857 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(O)cc(F)c1 ZINC000926626579 645320211 /nfs/dbraw/zinc/32/02/11/645320211.db2.gz KIVKKEZJXZIIPU-SNVBAGLBSA-N 1 2 248.301 2.876 20 30 BFEDLO C=C[C@@H](C)O[NH+]=C(C)c1cc(N)ccc1F ZINC000844620556 645342867 /nfs/dbraw/zinc/34/28/67/645342867.db2.gz MARRFDCROHCEDD-MRVPVSSYSA-N 1 2 222.263 2.723 20 30 BFEDLO N#CC1(C[NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000926874632 645469100 /nfs/dbraw/zinc/46/91/00/645469100.db2.gz RYDXCKWAUQKWQW-NSHDSACASA-N 1 2 247.729 2.616 20 30 BFEDLO CCC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000924525354 646046571 /nfs/dbraw/zinc/04/65/71/646046571.db2.gz NZXYTPRILGAXGS-LBPRGKRZSA-N 1 2 218.300 2.715 20 30 BFEDLO C[N@H+](CC(F)F)CC1CCC(C#N)CC1 ZINC000929515007 646165411 /nfs/dbraw/zinc/16/54/11/646165411.db2.gz AHMPCCJVEXOMNS-UHFFFAOYSA-N 1 2 216.275 2.513 20 30 BFEDLO C[N@@H+](CC(F)F)CC1CCC(C#N)CC1 ZINC000929515007 646165416 /nfs/dbraw/zinc/16/54/16/646165416.db2.gz AHMPCCJVEXOMNS-UHFFFAOYSA-N 1 2 216.275 2.513 20 30 BFEDLO CC[C@H]([NH2+]CCCF)c1cccc(C#N)c1O ZINC000925555033 646331469 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/nfs/dbraw/zinc/82/30/52/969823052.db2.gz WSVZKYOLIWQYBY-CQSZACIVSA-N 1 2 239.322 2.851 20 30 BFEDLO C=C[C@@H](CO)Nc1cc2ccc(C)cc2c[nH+]1 ZINC001169780255 969854321 /nfs/dbraw/zinc/85/43/21/969854321.db2.gz PAZXOCBONKGEFF-ZDUSSCGKSA-N 1 2 228.295 2.502 20 30 BFEDLO Cc1[nH+]cc(Nc2cccc(F)c2C#N)cc1N ZINC001210287841 969856313 /nfs/dbraw/zinc/85/63/13/969856313.db2.gz CJAGRZAKQFLDRH-UHFFFAOYSA-N 1 2 242.257 2.727 20 30 BFEDLO CC[C@@H](CC#N)[N@@H+]1CCOC2(CCCCC2)C1 ZINC001255175990 969991836 /nfs/dbraw/zinc/99/18/36/969991836.db2.gz UGCQODHWBZWTPP-ZDUSSCGKSA-N 1 2 236.359 2.714 20 30 BFEDLO CC[C@@H](CC#N)[N@H+]1CCOC2(CCCCC2)C1 ZINC001255175990 969991839 /nfs/dbraw/zinc/99/18/39/969991839.db2.gz UGCQODHWBZWTPP-ZDUSSCGKSA-N 1 2 236.359 2.714 20 30 BFEDLO C[C@@H]1CC(=O)C=C(Nc2cn(C3CCC3)c[nH+]2)C1 ZINC001210771090 970020082 /nfs/dbraw/zinc/02/00/82/970020082.db2.gz KAZPXRKYTBKITB-JTQLQIEISA-N 1 2 245.326 2.903 20 30 BFEDLO C[C@H]1CC(=O)C=C(Nc2cn(CC3CC3)c[nH+]2)C1 ZINC001210771153 970021942 /nfs/dbraw/zinc/02/19/42/970021942.db2.gz KIRUAYPKNJMOPH-SNVBAGLBSA-N 1 2 245.326 2.588 20 30 BFEDLO Cc1cc(Nc2[nH+]cccc2N)ccc1C#N ZINC001210805536 970045829 /nfs/dbraw/zinc/04/58/29/970045829.db2.gz DOUUUERWKFWMRX-UHFFFAOYSA-N 1 2 224.267 2.588 20 30 BFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CCCC)C(=O)OCC ZINC001255316011 970089544 /nfs/dbraw/zinc/08/95/44/970089544.db2.gz RWFJBXFEPOPYBN-BZPMIXESSA-N 1 2 239.359 2.663 20 30 BFEDLO CCCC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255326716 970105788 /nfs/dbraw/zinc/10/57/88/970105788.db2.gz UALVAMZTYITRQB-ZYHUDNBSSA-N 1 2 239.384 2.839 20 30 BFEDLO CCCC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255326716 970105792 /nfs/dbraw/zinc/10/57/92/970105792.db2.gz UALVAMZTYITRQB-ZYHUDNBSSA-N 1 2 239.384 2.839 20 30 BFEDLO CC(C)(C#N)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255507345 970271396 /nfs/dbraw/zinc/27/13/96/970271396.db2.gz VMZJUGSPLNXPOA-UHFFFAOYSA-N 1 2 234.265 2.999 20 30 BFEDLO Cc1cc(C)c(Nc2ccc(N)cc2C#N)c[nH+]1 ZINC001213518505 970338123 /nfs/dbraw/zinc/33/81/23/970338123.db2.gz RPAXHPVOLALMLH-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO C[N@H+](CC#N)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255717046 970464983 /nfs/dbraw/zinc/46/49/83/970464983.db2.gz JWEQLQXCJXUDNR-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO C[N@@H+](CC#N)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255717046 970464990 /nfs/dbraw/zinc/46/49/90/970464990.db2.gz JWEQLQXCJXUDNR-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO CC[C@H]1C[C@@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001170168509 970542744 /nfs/dbraw/zinc/54/27/44/970542744.db2.gz INFSONGVDZCJPR-STQMWFEESA-N 1 2 236.359 2.760 20 30 BFEDLO CC[C@@H]1C[C@@H]([NH2+][C@@](C)(C#N)CC(C)C)CCO1 ZINC001170191379 970566127 /nfs/dbraw/zinc/56/61/27/970566127.db2.gz IXMKTTJVNDRJAW-BFHYXJOUSA-N 1 2 238.375 2.862 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001256048351 970627894 /nfs/dbraw/zinc/62/78/94/970627894.db2.gz LHGTUQVTXLGNII-GHMZBOCLSA-N 1 2 248.395 2.721 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001256048351 970627898 /nfs/dbraw/zinc/62/78/98/970627898.db2.gz LHGTUQVTXLGNII-GHMZBOCLSA-N 1 2 248.395 2.721 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001256048364 970627998 /nfs/dbraw/zinc/62/79/98/970627998.db2.gz LHGTUQVTXLGNII-WDEREUQCSA-N 1 2 248.395 2.721 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001256048364 970628006 /nfs/dbraw/zinc/62/80/06/970628006.db2.gz LHGTUQVTXLGNII-WDEREUQCSA-N 1 2 248.395 2.721 20 30 BFEDLO C#CC[N@H+](C)Cc1cc(Cl)c(F)cc1F ZINC001144130818 972615407 /nfs/dbraw/zinc/61/54/07/972615407.db2.gz QBYCENJRWAUMEO-UHFFFAOYSA-N 1 2 229.657 2.683 20 30 BFEDLO C=CCC[C@H](CC)OCc1c[nH+]cn1C ZINC001222600377 972596502 /nfs/dbraw/zinc/59/65/02/972596502.db2.gz NPISXFQHJNKVIY-LBPRGKRZSA-N 1 2 208.305 2.682 20 30 BFEDLO C=CCC[C@@H]([NH2+]Cc1nnc[nH]1)c1ccccc1 ZINC001327521268 972613929 /nfs/dbraw/zinc/61/39/29/972613929.db2.gz YVVHBVOHPSUHIX-CYBMUJFWSA-N 1 2 242.326 2.602 20 30 BFEDLO C#CC[N@@H+](C)Cc1cc(Cl)c(F)cc1F ZINC001144130818 972615401 /nfs/dbraw/zinc/61/54/01/972615401.db2.gz QBYCENJRWAUMEO-UHFFFAOYSA-N 1 2 229.657 2.683 20 30 BFEDLO Cc1cc(C#N)cc(C)c1-c1ccc[nH+]c1N ZINC001222655696 972624620 /nfs/dbraw/zinc/62/46/20/972624620.db2.gz YHBUKVPUDSHMTG-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO C#Cc1ccc(C[N@H+]2Cc3cnc(C)cc3C2)cc1 ZINC001144576436 972877959 /nfs/dbraw/zinc/87/79/59/972877959.db2.gz KVPHOIRYTLPWIX-UHFFFAOYSA-N 1 2 248.329 2.887 20 30 BFEDLO C#Cc1ccc(C[N@@H+]2Cc3cnc(C)cc3C2)cc1 ZINC001144576436 972877963 /nfs/dbraw/zinc/87/79/63/972877963.db2.gz KVPHOIRYTLPWIX-UHFFFAOYSA-N 1 2 248.329 2.887 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc(F)c(O)cc1F ZINC001144658516 972928001 /nfs/dbraw/zinc/92/80/01/972928001.db2.gz ZTNUBEDQWOPSEO-UHFFFAOYSA-N 1 2 239.265 2.844 20 30 BFEDLO C#CC[C@H](C)OCc1cc(C)[nH+]c(C)c1 ZINC001223424963 973063847 /nfs/dbraw/zinc/06/38/47/973063847.db2.gz OCIUOOXDQZMBFH-LBPRGKRZSA-N 1 2 203.285 2.627 20 30 BFEDLO CCC#C[C@H](C)OCCCCC(=[NH2+])OCC ZINC001224965852 974106960 /nfs/dbraw/zinc/10/69/60/974106960.db2.gz MOAKKNLADFUTDH-LBPRGKRZSA-N 1 2 225.332 2.989 20 30 BFEDLO CCC#C[C@@H](C)OCCCCC(=[NH2+])OCC ZINC001224965851 974107831 /nfs/dbraw/zinc/10/78/31/974107831.db2.gz MOAKKNLADFUTDH-GFCCVEGCSA-N 1 2 225.332 2.989 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc2n1CCC2 ZINC001248824050 974387026 /nfs/dbraw/zinc/38/70/26/974387026.db2.gz WWPMMBHSKVSHKA-UHFFFAOYSA-N 1 2 231.343 2.560 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc2n1CCC2 ZINC001248824050 974387033 /nfs/dbraw/zinc/38/70/33/974387033.db2.gz WWPMMBHSKVSHKA-UHFFFAOYSA-N 1 2 231.343 2.560 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccn2C2CC2)C1 ZINC001330412349 974622613 /nfs/dbraw/zinc/62/26/13/974622613.db2.gz SAOHHXFLBWGVPF-AWEZNQCLSA-N 1 2 229.327 2.559 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001330412349 974622618 /nfs/dbraw/zinc/62/26/18/974622618.db2.gz SAOHHXFLBWGVPF-AWEZNQCLSA-N 1 2 229.327 2.559 20 30 BFEDLO C[C@]1(C#N)CC[N@H+](Cc2cccn2C2CC2)C1 ZINC001330412354 974623686 /nfs/dbraw/zinc/62/36/86/974623686.db2.gz SAOHHXFLBWGVPF-CQSZACIVSA-N 1 2 229.327 2.559 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001330412354 974623692 /nfs/dbraw/zinc/62/36/92/974623692.db2.gz SAOHHXFLBWGVPF-CQSZACIVSA-N 1 2 229.327 2.559 20 30 BFEDLO CC(C)c1c[nH]c(C[NH+]2CCC(CC#N)CC2)n1 ZINC001331568694 974765120 /nfs/dbraw/zinc/76/51/20/974765120.db2.gz ZCKQQXJZRINKGB-UHFFFAOYSA-N 1 2 246.358 2.659 20 30 BFEDLO C[C@H](CCCC#N)[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001172491938 974838747 /nfs/dbraw/zinc/83/87/47/974838747.db2.gz IIPHUVUCHVIKIJ-GHMZBOCLSA-N 1 2 248.292 2.995 20 30 BFEDLO C[C@H](CCCC#N)[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001172491938 974838749 /nfs/dbraw/zinc/83/87/49/974838749.db2.gz IIPHUVUCHVIKIJ-GHMZBOCLSA-N 1 2 248.292 2.995 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cn2ccccc2n1 ZINC001331983511 974906943 /nfs/dbraw/zinc/90/69/43/974906943.db2.gz HTNYPNFCMPTMIJ-LLVKDONJSA-N 1 2 242.326 2.535 20 30 BFEDLO N#CC1C[NH+](C2CCC3(CCCC3)CC2)C1 ZINC001172726021 974909738 /nfs/dbraw/zinc/90/97/38/974909738.db2.gz AYKPXKDCRHCNQS-UHFFFAOYSA-N 1 2 218.344 2.945 20 30 BFEDLO CO[C@@H]1CCC[C@@H]([NH2+][C@@](C)(C#N)CC(C)C)C1 ZINC001172926417 974972724 /nfs/dbraw/zinc/97/27/24/974972724.db2.gz BAFAGEZPDOVJJO-MGPQQGTHSA-N 1 2 238.375 2.862 20 30 BFEDLO CC1(F)C[NH+](C2CCC(C)(C#N)CC2)C1 ZINC001173594039 975450480 /nfs/dbraw/zinc/45/04/80/975450480.db2.gz PTMPNEAFBGRSSB-UHFFFAOYSA-N 1 2 210.296 2.503 20 30 BFEDLO CC1(C#N)CCC([N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001173600031 975469483 /nfs/dbraw/zinc/46/94/83/975469483.db2.gz VBRUQZVVGPHAQU-MOKVOYLWSA-N 1 2 231.343 2.837 20 30 BFEDLO CC1(C#N)CCC([N@H+]2CCCC[C@H]2C#N)CC1 ZINC001173600031 975469502 /nfs/dbraw/zinc/46/95/02/975469502.db2.gz VBRUQZVVGPHAQU-MOKVOYLWSA-N 1 2 231.343 2.837 20 30 BFEDLO C#Cc1cc(Nc2cccc(C)c2)cc[nH+]1 ZINC001173807344 975699007 /nfs/dbraw/zinc/69/90/07/975699007.db2.gz GGVLARYIEAWECC-UHFFFAOYSA-N 1 2 208.264 2.537 20 30 BFEDLO Cc1[nH]c2ccc(O[C@@H]3CC[C@@H](C#N)C3)cc2[nH+]1 ZINC001228327141 976118894 /nfs/dbraw/zinc/11/88/94/976118894.db2.gz OJBPWSFDIHUHLO-GHMZBOCLSA-N 1 2 241.294 2.942 20 30 BFEDLO C#C[C@@H](CC)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228326906 976122808 /nfs/dbraw/zinc/12/28/08/976122808.db2.gz MPQFDMNMQWOQQA-JTQLQIEISA-N 1 2 214.268 2.662 20 30 BFEDLO C#C[C@H](Oc1ccc2[nH]c(C)[nH+]c2c1)C(C)C ZINC001228329564 976127774 /nfs/dbraw/zinc/12/77/74/976127774.db2.gz NOVUFKIPWASXRE-AWEZNQCLSA-N 1 2 228.295 2.908 20 30 BFEDLO C=C(C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001174786703 977016376 /nfs/dbraw/zinc/01/63/76/977016376.db2.gz WEGQOJJHZKYWQN-TXEJJXNPSA-N 1 2 247.342 2.641 20 30 BFEDLO C=C(C)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001174789741 977032435 /nfs/dbraw/zinc/03/24/35/977032435.db2.gz UEMGONMVWSCIRI-UHFFFAOYSA-N 1 2 213.284 2.877 20 30 BFEDLO C#C[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001229955149 977036999 /nfs/dbraw/zinc/03/69/99/977036999.db2.gz XPMHMCQNMFKBFB-OAHLLOKOSA-N 1 2 240.306 2.909 20 30 BFEDLO N#CC1CC(Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229954689 977038315 /nfs/dbraw/zinc/03/83/15/977038315.db2.gz UOSCHAXDFUVRMJ-UHFFFAOYSA-N 1 2 239.278 2.553 20 30 BFEDLO CC(C)(C)[NH+]1CC(Oc2cc(F)ccc2C#N)C1 ZINC001230636282 977283830 /nfs/dbraw/zinc/28/38/30/977283830.db2.gz HSLAQTDVZUPABN-UHFFFAOYSA-N 1 2 248.301 2.559 20 30 BFEDLO C#Cc1cc(Nc2c(F)cc(F)cc2F)cc[nH+]1 ZINC001175145281 977286550 /nfs/dbraw/zinc/28/65/50/977286550.db2.gz IACPKPXTRBVGNV-UHFFFAOYSA-N 1 2 248.207 2.646 20 30 BFEDLO CCC#C[C@@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920034 977383040 /nfs/dbraw/zinc/38/30/40/977383040.db2.gz IQYFMJZFSVNDRM-LLVKDONJSA-N 1 2 243.306 2.548 20 30 BFEDLO C#Cc1cc(Nc2ccc3ncccc3c2)cc[nH+]1 ZINC001175375017 977403313 /nfs/dbraw/zinc/40/33/13/977403313.db2.gz ZIODLBCFXWAGIM-UHFFFAOYSA-N 1 2 245.285 2.777 20 30 BFEDLO C#CC[C@@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081784 977472785 /nfs/dbraw/zinc/47/27/85/977472785.db2.gz NCFFHWZIYQBIIG-LLVKDONJSA-N 1 2 226.279 2.867 20 30 BFEDLO COc1cccc2[nH]cc(C[N@H+](C)CCC#N)c21 ZINC001232033590 977859441 /nfs/dbraw/zinc/85/94/41/977859441.db2.gz NYYFFEHRMIMTQX-UHFFFAOYSA-N 1 2 243.310 2.522 20 30 BFEDLO COc1cccc2[nH]cc(C[N@@H+](C)CCC#N)c21 ZINC001232033590 977859448 /nfs/dbraw/zinc/85/94/48/977859448.db2.gz NYYFFEHRMIMTQX-UHFFFAOYSA-N 1 2 243.310 2.522 20 30 BFEDLO C#C[C@@H]1CCCCN1c1cc(F)cc(C)[nH+]1 ZINC001336736513 977896504 /nfs/dbraw/zinc/89/65/04/977896504.db2.gz SJABIZGOQDLWBQ-GFCCVEGCSA-N 1 2 218.275 2.521 20 30 BFEDLO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCC[C@H]1C#N ZINC001336797877 977971295 /nfs/dbraw/zinc/97/12/95/977971295.db2.gz NIPWZOPMXUCNRI-GWCFXTLKSA-N 1 2 245.351 2.744 20 30 BFEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCC[C@H]1C#N ZINC001336797877 977971308 /nfs/dbraw/zinc/97/13/08/977971308.db2.gz NIPWZOPMXUCNRI-GWCFXTLKSA-N 1 2 245.351 2.744 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cn2cc(F)ccc2n1 ZINC001232411800 978053627 /nfs/dbraw/zinc/05/36/27/978053627.db2.gz CLSUFCMHIBKBTN-UHFFFAOYSA-N 1 2 245.301 2.647 20 30 BFEDLO Cc1nnn([NH+]=C[C@H]2C(C)=CCC[C@H]2C)c1C ZINC001336983486 978105428 /nfs/dbraw/zinc/10/54/28/978105428.db2.gz XTRLRXQXEOVGGK-MFKMUULPSA-N 1 2 232.331 2.721 20 30 BFEDLO N#CCC[N@@H+](Cc1cc(F)ccn1)C1CCCC1 ZINC001232494527 978150114 /nfs/dbraw/zinc/15/01/14/978150114.db2.gz SYCQNAQHZLUAIV-UHFFFAOYSA-N 1 2 247.317 2.879 20 30 BFEDLO N#CCC[N@H+](Cc1cc(F)ccn1)C1CCCC1 ZINC001232494527 978150121 /nfs/dbraw/zinc/15/01/21/978150121.db2.gz SYCQNAQHZLUAIV-UHFFFAOYSA-N 1 2 247.317 2.879 20 30 BFEDLO C[N@@H+](Cc1cc(C#N)ccc1O)CC1CCCC1 ZINC001232679083 978239528 /nfs/dbraw/zinc/23/95/28/978239528.db2.gz ZUXGFRWIEBLNAL-UHFFFAOYSA-N 1 2 244.338 2.886 20 30 BFEDLO C[N@H+](Cc1cc(C#N)ccc1O)CC1CCCC1 ZINC001232679083 978239541 /nfs/dbraw/zinc/23/95/41/978239541.db2.gz ZUXGFRWIEBLNAL-UHFFFAOYSA-N 1 2 244.338 2.886 20 30 BFEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C[C@H]1CC1(C)C ZINC001232677634 978246018 /nfs/dbraw/zinc/24/60/18/978246018.db2.gz FZWATHOZONLHLT-CYBMUJFWSA-N 1 2 244.338 2.742 20 30 BFEDLO C[N@H+](Cc1cc(C#N)ccc1O)C[C@H]1CC1(C)C ZINC001232677634 978246031 /nfs/dbraw/zinc/24/60/31/978246031.db2.gz FZWATHOZONLHLT-CYBMUJFWSA-N 1 2 244.338 2.742 20 30 BFEDLO C=CC[N@@H+](C)Cc1sccc1C(=O)OCC ZINC001233020334 978412286 /nfs/dbraw/zinc/41/22/86/978412286.db2.gz DNRBHUDWKDZMAK-UHFFFAOYSA-N 1 2 239.340 2.543 20 30 BFEDLO C=CC[N@H+](C)Cc1sccc1C(=O)OCC ZINC001233020334 978412291 /nfs/dbraw/zinc/41/22/91/978412291.db2.gz DNRBHUDWKDZMAK-UHFFFAOYSA-N 1 2 239.340 2.543 20 30 BFEDLO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccn1 ZINC001338549890 978705270 /nfs/dbraw/zinc/70/52/70/978705270.db2.gz KMBWCSBDBLDXPE-OLZOCXBDSA-N 1 2 242.326 2.566 20 30 BFEDLO C=CCC(CC=C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001338993563 978768139 /nfs/dbraw/zinc/76/81/39/978768139.db2.gz VJICZWRCLKDUSA-UHFFFAOYSA-N 1 2 244.338 2.827 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(F)nc1C ZINC001235815454 979156857 /nfs/dbraw/zinc/15/68/57/979156857.db2.gz TUVYCCRKNKZLIR-UHFFFAOYSA-N 1 2 235.306 2.655 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)nc1C ZINC001235815454 979156863 /nfs/dbraw/zinc/15/68/63/979156863.db2.gz TUVYCCRKNKZLIR-UHFFFAOYSA-N 1 2 235.306 2.655 20 30 BFEDLO CCCCCCCCC[N@@H+]1CCN[C@H](C#N)C1 ZINC001235912661 979201093 /nfs/dbraw/zinc/20/10/93/979201093.db2.gz HKMDJPIOSPHOHU-CQSZACIVSA-N 1 2 237.391 2.534 20 30 BFEDLO CCCCCCCCC[N@H+]1CCN[C@H](C#N)C1 ZINC001235912661 979201098 /nfs/dbraw/zinc/20/10/98/979201098.db2.gz HKMDJPIOSPHOHU-CQSZACIVSA-N 1 2 237.391 2.534 20 30 BFEDLO N#CCc1ccc(-c2ccc(N)[nH+]c2)cc1F ZINC001236313187 979519552 /nfs/dbraw/zinc/51/95/52/979519552.db2.gz KTPGYNRPDIUPCP-UHFFFAOYSA-N 1 2 227.242 2.536 20 30 BFEDLO N#Cc1nccc2cc(-c3ccc(N)[nH+]c3)ccc21 ZINC001236318051 979533043 /nfs/dbraw/zinc/53/30/43/979533043.db2.gz WSLLZJZBYRYPFB-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO Cc1cc(Cl)cc(C[NH+]2CCC(C#N)CC2)n1 ZINC001236636661 979683533 /nfs/dbraw/zinc/68/35/33/979683533.db2.gz SSNNYVLQGPGWDJ-UHFFFAOYSA-N 1 2 249.745 2.779 20 30 BFEDLO Cc1cc(C)c(C#N)c(-c2ccc3[nH+]ccn3c2)n1 ZINC001240213496 981161510 /nfs/dbraw/zinc/16/15/10/981161510.db2.gz BBVXWXYXJIGMOC-UHFFFAOYSA-N 1 2 248.289 2.885 20 30 BFEDLO Cc1ccc(C#N)nc1-c1ccc2[nH+]ccn2c1 ZINC001240214991 981163299 /nfs/dbraw/zinc/16/32/99/981163299.db2.gz SZOWNYQPBMQNNE-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO N#CCOc1ccccc1-c1ccc2[nH+]ccn2c1 ZINC001240218497 981169490 /nfs/dbraw/zinc/16/94/90/981169490.db2.gz OOIJXJCTCJNXKM-UHFFFAOYSA-N 1 2 249.273 2.904 20 30 BFEDLO Cc1nc(-c2ccn3cc[nH+]c3c2)ccc1C#N ZINC001240496425 981417363 /nfs/dbraw/zinc/41/73/63/981417363.db2.gz CWDZOCSQVUOAOX-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO O/N=C/c1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240510819 981436821 /nfs/dbraw/zinc/43/68/21/981436821.db2.gz TVSSEMQGPROZOD-MHWRWJLKSA-N 1 2 237.262 2.809 20 30 BFEDLO N#Cc1c[nH]c2ccc(-c3cc[nH+]c(N)c3)cc12 ZINC001241163182 982302078 /nfs/dbraw/zinc/30/20/78/982302078.db2.gz PXNCZISJLOEKNL-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO Cc1cn2c(cccc2-c2ccnc(C#N)c2)[nH+]1 ZINC001241190408 982336682 /nfs/dbraw/zinc/33/66/82/982336682.db2.gz IIPQBLFGQHBNQV-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1c(-c2ccc(C#N)nc2)ccc2[nH+]ccn21 ZINC001241434980 982589186 /nfs/dbraw/zinc/58/91/86/982589186.db2.gz LCRNVOKOSZRSQD-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO C#Cc1cccc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001241916129 983136447 /nfs/dbraw/zinc/13/64/47/983136447.db2.gz AYXRAJKJKPHJJU-UHFFFAOYSA-N 1 2 208.264 2.621 20 30 BFEDLO N#Cc1c(F)cc(F)cc1Nc1ccc(N)[nH+]c1 ZINC001201295221 983182036 /nfs/dbraw/zinc/18/20/36/983182036.db2.gz MOBRJIVIDJRIKY-UHFFFAOYSA-N 1 2 246.220 2.557 20 30 BFEDLO CCCCCCC[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001201761468 983465381 /nfs/dbraw/zinc/46/53/81/983465381.db2.gz GPUXNKBPCWIHOX-PHIMTYICSA-N 1 2 205.292 2.949 20 30 BFEDLO CCCCCCC[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001201761468 983465385 /nfs/dbraw/zinc/46/53/85/983465385.db2.gz GPUXNKBPCWIHOX-PHIMTYICSA-N 1 2 205.292 2.949 20 30 BFEDLO C=C[C@](C)(O)CNc1cc(C)[nH+]c2sccc21 ZINC001252547529 983810911 /nfs/dbraw/zinc/81/09/11/983810911.db2.gz JCMKZZRPDPGXJE-ZDUSSCGKSA-N 1 2 248.351 2.954 20 30 BFEDLO Cc1ccc(C#N)cc1-c1cc[nH+]c(N)c1 ZINC001242541951 983860484 /nfs/dbraw/zinc/86/04/84/983860484.db2.gz RFWYUTZYUYYBLH-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO N#Cc1ccccc1-c1[nH+]ccc2c1CCN2 ZINC001242714032 984062979 /nfs/dbraw/zinc/06/29/79/984062979.db2.gz XZSITVKZQUZQOG-UHFFFAOYSA-N 1 2 221.263 2.588 20 30 BFEDLO N#Cc1ccccc1-c1cccc2[nH+]ccn21 ZINC001242714072 984064849 /nfs/dbraw/zinc/06/48/49/984064849.db2.gz BCIARIRGHOJUJK-UHFFFAOYSA-N 1 2 219.247 2.873 20 30 BFEDLO Cc1cc(F)cc(-c2ccc[nH+]c2N)c1C#N ZINC001243475357 985030290 /nfs/dbraw/zinc/03/02/90/985030290.db2.gz WPJGIPMLIYZITL-UHFFFAOYSA-N 1 2 227.242 2.650 20 30 BFEDLO CC(C)(C#N)c1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243476033 985033629 /nfs/dbraw/zinc/03/36/29/985033629.db2.gz NZVFTHCQXQOOFM-UHFFFAOYSA-N 1 2 238.294 2.527 20 30 BFEDLO Cc1ccc(-c2ccc(OCC#N)cc2)[nH+]c1N ZINC001243590722 985148074 /nfs/dbraw/zinc/14/80/74/985148074.db2.gz JNUIRXGWRNEZLE-UHFFFAOYSA-N 1 2 239.278 2.542 20 30 BFEDLO COc1c(C)cc(C[N@@H+]2CC[C@@H](C#N)C2)cc1C ZINC001138428687 985353139 /nfs/dbraw/zinc/35/31/39/985353139.db2.gz PEVHGJWOUJKSEO-ZDUSSCGKSA-N 1 2 244.338 2.658 20 30 BFEDLO COc1c(C)cc(C[N@H+]2CC[C@@H](C#N)C2)cc1C ZINC001138428687 985353145 /nfs/dbraw/zinc/35/31/45/985353145.db2.gz PEVHGJWOUJKSEO-ZDUSSCGKSA-N 1 2 244.338 2.658 20 30 BFEDLO CCCCCCCCC[N@H+](C)Cc1nnc[nH]1 ZINC000192063079 985627986 /nfs/dbraw/zinc/62/79/86/985627986.db2.gz HIPUIVFBQKEZKW-UHFFFAOYSA-N 1 2 238.379 2.987 20 30 BFEDLO CCCCCCCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000192063079 985627995 /nfs/dbraw/zinc/62/79/95/985627995.db2.gz HIPUIVFBQKEZKW-UHFFFAOYSA-N 1 2 238.379 2.987 20 30 BFEDLO N#Cc1ccc(-c2ccc[nH+]c2N)c(Cl)c1 ZINC001244326886 985953542 /nfs/dbraw/zinc/95/35/42/985953542.db2.gz GDWOWLXJVBQTTA-UHFFFAOYSA-N 1 2 229.670 2.856 20 30 BFEDLO N#Cc1cc(CNc2cccc[nH+]2)cs1 ZINC001461073859 986011519 /nfs/dbraw/zinc/01/15/19/986011519.db2.gz GWCWFVQFOBZOBA-UHFFFAOYSA-N 1 2 215.281 2.627 20 30 BFEDLO C=C[C@@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC001253572016 986091971 /nfs/dbraw/zinc/09/19/71/986091971.db2.gz JUEMMQDYUHLRDT-SECBINFHSA-N 1 2 248.713 2.847 20 30 BFEDLO N#CC1CC[NH+](Cc2cccn2C(F)F)CC1 ZINC001461902365 986227257 /nfs/dbraw/zinc/22/72/57/986227257.db2.gz NCDIUEUUHNJTPE-UHFFFAOYSA-N 1 2 239.269 2.619 20 30 BFEDLO C#CCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381559873 986302128 /nfs/dbraw/zinc/30/21/28/986302128.db2.gz QRHTWOOEAQHKFB-UHFFFAOYSA-N 1 2 241.693 2.688 20 30 BFEDLO Cc1c(C#N)cccc1-c1cc[nH+]c(N)c1 ZINC001244816177 986343935 /nfs/dbraw/zinc/34/39/35/986343935.db2.gz WQWLBGZVUVGBGP-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO CCNc1ccccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001462573917 986430409 /nfs/dbraw/zinc/43/04/09/986430409.db2.gz RUBKQJNTHVKNBR-ZDUSSCGKSA-N 1 2 243.354 2.854 20 30 BFEDLO CCNc1ccccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001462573917 986430452 /nfs/dbraw/zinc/43/04/52/986430452.db2.gz RUBKQJNTHVKNBR-ZDUSSCGKSA-N 1 2 243.354 2.854 20 30 BFEDLO N#Cc1cccc(-c2cc[nH+]c3c2CCN3)c1F ZINC001245072378 986633386 /nfs/dbraw/zinc/63/33/86/986633386.db2.gz INKFJLVDZUEJDN-UHFFFAOYSA-N 1 2 239.253 2.727 20 30 BFEDLO C[N@H+](CCC#N)Cc1c[nH]c2ccc(F)cc12 ZINC001137333402 986800286 /nfs/dbraw/zinc/80/02/86/986800286.db2.gz FHQJDBRMQSENJB-UHFFFAOYSA-N 1 2 231.274 2.652 20 30 BFEDLO C[N@@H+](CCC#N)Cc1c[nH]c2ccc(F)cc12 ZINC001137333402 986800292 /nfs/dbraw/zinc/80/02/92/986800292.db2.gz FHQJDBRMQSENJB-UHFFFAOYSA-N 1 2 231.274 2.652 20 30 BFEDLO N#C[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341542 986812220 /nfs/dbraw/zinc/81/22/20/986812220.db2.gz QPFSWKOMTUVAAR-SNVBAGLBSA-N 1 2 243.285 2.652 20 30 BFEDLO N#C[C@H]1CC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341542 986812224 /nfs/dbraw/zinc/81/22/24/986812224.db2.gz QPFSWKOMTUVAAR-SNVBAGLBSA-N 1 2 243.285 2.652 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1ccc(C)cn1 ZINC001255154892 986824646 /nfs/dbraw/zinc/82/46/46/986824646.db2.gz MBPOUARDYSJASN-VXGBXAGGSA-N 1 2 217.316 2.733 20 30 BFEDLO CC[C@H](CC#N)[N@H+](C)Cc1ccc(C)nc1 ZINC001255176385 986870886 /nfs/dbraw/zinc/87/08/86/986870886.db2.gz ALAYUMRLLGGDNS-CYBMUJFWSA-N 1 2 217.316 2.514 20 30 BFEDLO CC[C@H](CC#N)[N@@H+](C)Cc1ccc(C)nc1 ZINC001255176385 986870889 /nfs/dbraw/zinc/87/08/89/986870889.db2.gz ALAYUMRLLGGDNS-CYBMUJFWSA-N 1 2 217.316 2.514 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC001473866763 987594199 /nfs/dbraw/zinc/59/41/99/987594199.db2.gz ADXXUAKLZXCGER-CYBMUJFWSA-N 1 2 235.277 2.953 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC001473866763 987594202 /nfs/dbraw/zinc/59/42/02/987594202.db2.gz ADXXUAKLZXCGER-CYBMUJFWSA-N 1 2 235.277 2.953 20 30 BFEDLO CC[N@@H+](Cc1cccn1C1CC1)C[C@H](C)C#N ZINC001117744117 987885762 /nfs/dbraw/zinc/88/57/62/987885762.db2.gz VTOPIXUCYUXSIK-GFCCVEGCSA-N 1 2 231.343 2.805 20 30 BFEDLO CC[N@H+](Cc1cccn1C1CC1)C[C@H](C)C#N ZINC001117744117 987885766 /nfs/dbraw/zinc/88/57/66/987885766.db2.gz VTOPIXUCYUXSIK-GFCCVEGCSA-N 1 2 231.343 2.805 20 30 BFEDLO CCCCC[C@H](CCC)N1CC[NH2+]C[C@H]1C#N ZINC001246593656 988176164 /nfs/dbraw/zinc/17/61/64/988176164.db2.gz OGOMMKLJPXIPBO-UONOGXRCSA-N 1 2 237.391 2.533 20 30 BFEDLO CCCCCCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246594646 988186078 /nfs/dbraw/zinc/18/60/78/988186078.db2.gz QASIALJLHHKMHL-UONOGXRCSA-N 1 2 237.391 2.533 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccn2C2CC2)C1 ZINC001324371243 988819549 /nfs/dbraw/zinc/81/95/49/988819549.db2.gz YGIVEUWYHMVYTN-HNNXBMFYSA-N 1 2 243.354 2.949 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001324371243 988819554 /nfs/dbraw/zinc/81/95/54/988819554.db2.gz YGIVEUWYHMVYTN-HNNXBMFYSA-N 1 2 243.354 2.949 20 30 BFEDLO C=C(C)CCC(=O)OCc1cccc2[nH+]ccn21 ZINC001517379990 989222400 /nfs/dbraw/zinc/22/24/00/989222400.db2.gz QFUGSSBNSWKBBA-UHFFFAOYSA-N 1 2 244.294 2.734 20 30 BFEDLO C=CC[N@@H+](C)Cc1csc(-c2ccncc2)n1 ZINC001249297968 989269502 /nfs/dbraw/zinc/26/95/02/989269502.db2.gz DLMBFTLWEZUIOL-UHFFFAOYSA-N 1 2 245.351 2.823 20 30 BFEDLO C=CC[N@H+](C)Cc1csc(-c2ccncc2)n1 ZINC001249297968 989269510 /nfs/dbraw/zinc/26/95/10/989269510.db2.gz DLMBFTLWEZUIOL-UHFFFAOYSA-N 1 2 245.351 2.823 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)ns1 ZINC001249588443 989318732 /nfs/dbraw/zinc/31/87/32/989318732.db2.gz GSTMYSMNHJYUNM-LLVKDONJSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ns1 ZINC001249588443 989318739 /nfs/dbraw/zinc/31/87/39/989318739.db2.gz GSTMYSMNHJYUNM-LLVKDONJSA-N 1 2 235.356 2.577 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(C)sc1C ZINC001119888184 989454056 /nfs/dbraw/zinc/45/40/56/989454056.db2.gz AKWKTPNVHFYXLJ-GFCCVEGCSA-N 1 2 234.368 2.748 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(C)sc1C ZINC001119888184 989454065 /nfs/dbraw/zinc/45/40/65/989454065.db2.gz AKWKTPNVHFYXLJ-GFCCVEGCSA-N 1 2 234.368 2.748 20 30 BFEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)C1(C)C ZINC001326319964 989495983 /nfs/dbraw/zinc/49/59/83/989495983.db2.gz NKNSYOXNYJKQEQ-UHFFFAOYSA-N 1 2 229.327 2.574 20 30 BFEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)C1(C)C ZINC001326319964 989496003 /nfs/dbraw/zinc/49/60/03/989496003.db2.gz NKNSYOXNYJKQEQ-UHFFFAOYSA-N 1 2 229.327 2.574 20 30 BFEDLO C=C(CC(C)C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001520241258 989538141 /nfs/dbraw/zinc/53/81/41/989538141.db2.gz YUGKXVARPHUYDI-UHFFFAOYSA-N 1 2 246.354 2.917 20 30 BFEDLO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@H](C#N)C1 ZINC001138401177 990939842 /nfs/dbraw/zinc/93/98/42/990939842.db2.gz CQTOLSGLTXAPFG-GFCCVEGCSA-N 1 2 239.322 2.822 20 30 BFEDLO Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@H](C#N)C1 ZINC001138401177 990939847 /nfs/dbraw/zinc/93/98/47/990939847.db2.gz CQTOLSGLTXAPFG-GFCCVEGCSA-N 1 2 239.322 2.822 20 30 BFEDLO COc1ccc2[nH]cc(C[N@H+](C)CCC#N)c2c1 ZINC001138508543 990965158 /nfs/dbraw/zinc/96/51/58/990965158.db2.gz ZQRWMRYDQIANBX-UHFFFAOYSA-N 1 2 243.310 2.522 20 30 BFEDLO COc1ccc2[nH]cc(C[N@@H+](C)CCC#N)c2c1 ZINC001138508543 990965171 /nfs/dbraw/zinc/96/51/71/990965171.db2.gz ZQRWMRYDQIANBX-UHFFFAOYSA-N 1 2 243.310 2.522 20 30 BFEDLO CSCC[C@@H](C)[NH2+][C@@](C)(C#N)C(C)C ZINC001258201961 991082654 /nfs/dbraw/zinc/08/26/54/991082654.db2.gz GMNCMFOPWBDMMS-MNOVXSKESA-N 1 2 214.378 2.656 20 30 BFEDLO C[N@H+](Cc1csc(C#N)c1)Cc1ccncc1 ZINC001308679603 991090994 /nfs/dbraw/zinc/09/09/94/991090994.db2.gz ZJCIZXALXBRSDL-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1ccncc1 ZINC001308679603 991091006 /nfs/dbraw/zinc/09/10/06/991091006.db2.gz ZJCIZXALXBRSDL-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO CCc1cn(CC#Cc2ccc(F)cc2)c[nH+]1 ZINC001559466145 991113058 /nfs/dbraw/zinc/11/30/58/991113058.db2.gz MFCZRKNFRQIYOJ-UHFFFAOYSA-N 1 2 228.270 2.636 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc2cc(O)ccc2c1 ZINC001139336810 991223413 /nfs/dbraw/zinc/22/34/13/991223413.db2.gz AUZUOKXVLHBAOG-UHFFFAOYSA-N 1 2 240.306 2.891 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc2cc(O)ccc2c1 ZINC001139336810 991223417 /nfs/dbraw/zinc/22/34/17/991223417.db2.gz AUZUOKXVLHBAOG-UHFFFAOYSA-N 1 2 240.306 2.891 20 30 BFEDLO CSC(C)(C)C[C@@H](C)[NH+]1CC(C)(C#N)C1 ZINC001258335790 991261769 /nfs/dbraw/zinc/26/17/69/991261769.db2.gz PMLSRLPYAVZNRY-SNVBAGLBSA-N 1 2 226.389 2.752 20 30 BFEDLO CC1(C)CC[C@@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001258595690 991495775 /nfs/dbraw/zinc/49/57/75/991495775.db2.gz HVJGULDWGDCDAY-LLVKDONJSA-N 1 2 206.333 2.991 20 30 BFEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001140136246 991540605 /nfs/dbraw/zinc/54/06/05/991540605.db2.gz QFFGCAKFQSFYDN-SKDRFNHKSA-N 1 2 236.265 2.630 20 30 BFEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001140136246 991540616 /nfs/dbraw/zinc/54/06/16/991540616.db2.gz QFFGCAKFQSFYDN-SKDRFNHKSA-N 1 2 236.265 2.630 20 30 BFEDLO CCC[C@@H](Cc1ccccc1)[NH+]1CC(C#N)C1 ZINC001258657896 991590691 /nfs/dbraw/zinc/59/06/91/991590691.db2.gz VXTNFMZZPFXDJB-HNNXBMFYSA-N 1 2 228.339 2.853 20 30 BFEDLO C=CCC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258729957 991673222 /nfs/dbraw/zinc/67/32/22/991673222.db2.gz ZPWWZFQEWOGBFN-CMPLNLGQSA-N 1 2 237.368 2.615 20 30 BFEDLO C=CCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258729957 991673229 /nfs/dbraw/zinc/67/32/29/991673229.db2.gz ZPWWZFQEWOGBFN-CMPLNLGQSA-N 1 2 237.368 2.615 20 30 BFEDLO C=CCC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258729957 991673235 /nfs/dbraw/zinc/67/32/35/991673235.db2.gz ZPWWZFQEWOGBFN-CMPLNLGQSA-N 1 2 237.368 2.615 20 30 BFEDLO C=CCC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258729957 991673243 /nfs/dbraw/zinc/67/32/43/991673243.db2.gz ZPWWZFQEWOGBFN-CMPLNLGQSA-N 1 2 237.368 2.615 20 30 BFEDLO Cc1cc(NCc2cccc(C#N)n2)c[nH+]c1C ZINC001560985975 991679709 /nfs/dbraw/zinc/67/97/09/991679709.db2.gz RQOVNQJIWKJIHR-UHFFFAOYSA-N 1 2 238.294 2.577 20 30 BFEDLO Cc1c[nH+]c2ccccc2c1NCC1(C#N)CC1 ZINC001321104105 992458511 /nfs/dbraw/zinc/45/85/11/992458511.db2.gz ZSZWSMVYZLYTGQ-UHFFFAOYSA-N 1 2 237.306 2.681 20 30 BFEDLO C=CCOCCNc1[nH+]c2ccccc2cc1C ZINC000385530012 993663664 /nfs/dbraw/zinc/66/36/64/993663664.db2.gz JJTZGWHTKRRNDZ-UHFFFAOYSA-N 1 2 242.322 2.580 20 30 BFEDLO Cc1n[nH]c(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000119189704 136212871 /nfs/dbraw/zinc/21/28/71/136212871.db2.gz VFSUQCZGWCVIFA-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO Cc1n[nH]c(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000119189704 136212872 /nfs/dbraw/zinc/21/28/72/136212872.db2.gz VFSUQCZGWCVIFA-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000335483519 398204603 /nfs/dbraw/zinc/20/46/03/398204603.db2.gz ULTCYDSYQJSCPU-NSHDSACASA-N 1 2 224.304 2.554 20 30 BFEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000335483519 398204609 /nfs/dbraw/zinc/20/46/09/398204609.db2.gz ULTCYDSYQJSCPU-NSHDSACASA-N 1 2 224.304 2.554 20 30 BFEDLO C=C(C)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000649422804 398222086 /nfs/dbraw/zinc/22/20/86/398222086.db2.gz LLZBDGOMSCRAOE-UHFFFAOYSA-N 1 2 219.332 2.574 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc2ccccc2n1C ZINC000602439349 349525791 /nfs/dbraw/zinc/52/57/91/349525791.db2.gz YWRHOXMGNCNMAE-UHFFFAOYSA-N 1 2 241.338 2.914 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc2ccccc2n1C ZINC000602439349 349525794 /nfs/dbraw/zinc/52/57/94/349525794.db2.gz YWRHOXMGNCNMAE-UHFFFAOYSA-N 1 2 241.338 2.914 20 30 BFEDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)s2)no1 ZINC000337272220 178250021 /nfs/dbraw/zinc/25/00/21/178250021.db2.gz CCWFSCHWCKKKCO-VIFPVBQESA-N 1 2 247.323 2.767 20 30 BFEDLO C=CC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000185000244 136229348 /nfs/dbraw/zinc/22/93/48/136229348.db2.gz DEBYLONFCQKYNF-OCCSQVGLSA-N 1 2 247.338 2.763 20 30 BFEDLO Cc1cc2[nH+]cn(CCCC#N)c2cc1C ZINC000019487676 178305219 /nfs/dbraw/zinc/30/52/19/178305219.db2.gz UTFNSBRDGVLTPT-UHFFFAOYSA-N 1 2 213.284 2.957 20 30 BFEDLO Cc1cc2[nH+]cn(CCOCCC#N)c2cc1C ZINC000292617228 178305691 /nfs/dbraw/zinc/30/56/91/178305691.db2.gz JJPXBTVLAAKUJR-UHFFFAOYSA-N 1 2 243.310 2.583 20 30 BFEDLO Cc1ccc(C#N)cc1Nc1ccc(N)[nH+]c1 ZINC000050429397 178367618 /nfs/dbraw/zinc/36/76/18/178367618.db2.gz VRMAXFAXZLXJFA-UHFFFAOYSA-N 1 2 224.267 2.588 20 30 BFEDLO CC[N@@H+](Cc1c(C)cccc1OC)C[C@H](C)C#N ZINC000602448493 349549990 /nfs/dbraw/zinc/54/99/90/349549990.db2.gz VIUSVLGVKXQRMB-GFCCVEGCSA-N 1 2 246.354 2.985 20 30 BFEDLO CC[N@H+](Cc1c(C)cccc1OC)C[C@H](C)C#N ZINC000602448493 349549995 /nfs/dbraw/zinc/54/99/95/349549995.db2.gz VIUSVLGVKXQRMB-GFCCVEGCSA-N 1 2 246.354 2.985 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2ccccc2n1C ZINC000602462513 349556203 /nfs/dbraw/zinc/55/62/03/349556203.db2.gz NGWMORFSBFODKN-GFCCVEGCSA-N 1 2 241.338 2.912 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2ccccc2n1C ZINC000602462513 349556205 /nfs/dbraw/zinc/55/62/05/349556205.db2.gz NGWMORFSBFODKN-GFCCVEGCSA-N 1 2 241.338 2.912 20 30 BFEDLO CC[C@@](C)(C[N@H+](CC#N)C1CCCC1)OC ZINC000602475413 349563482 /nfs/dbraw/zinc/56/34/82/349563482.db2.gz AGKRJMJTJGFECB-ZDUSSCGKSA-N 1 2 224.348 2.570 20 30 BFEDLO CC[C@@](C)(C[N@@H+](CC#N)C1CCCC1)OC ZINC000602475413 349563485 /nfs/dbraw/zinc/56/34/85/349563485.db2.gz AGKRJMJTJGFECB-ZDUSSCGKSA-N 1 2 224.348 2.570 20 30 BFEDLO CC[C@@H](C)[C@@H](C[N@H+](CC#N)C1CCCC1)OC ZINC000602477765 349564517 /nfs/dbraw/zinc/56/45/17/349564517.db2.gz LVPLYMQMKYXQJO-TZMCWYRMSA-N 1 2 238.375 2.816 20 30 BFEDLO CC[C@@H](C)[C@@H](C[N@@H+](CC#N)C1CCCC1)OC ZINC000602477765 349564520 /nfs/dbraw/zinc/56/45/20/349564520.db2.gz LVPLYMQMKYXQJO-TZMCWYRMSA-N 1 2 238.375 2.816 20 30 BFEDLO CC[C@H](C)[C@@H](C[N@H+](CC#N)C1CCCC1)OC ZINC000602477761 349564787 /nfs/dbraw/zinc/56/47/87/349564787.db2.gz LVPLYMQMKYXQJO-GXTWGEPZSA-N 1 2 238.375 2.816 20 30 BFEDLO CC[C@H](C)[C@@H](C[N@@H+](CC#N)C1CCCC1)OC ZINC000602477761 349564791 /nfs/dbraw/zinc/56/47/91/349564791.db2.gz LVPLYMQMKYXQJO-GXTWGEPZSA-N 1 2 238.375 2.816 20 30 BFEDLO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615651853 398271848 /nfs/dbraw/zinc/27/18/48/398271848.db2.gz NOQRODWZOQBQDJ-HIFRSBDPSA-N 1 2 246.329 2.803 20 30 BFEDLO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000615651853 398271850 /nfs/dbraw/zinc/27/18/50/398271850.db2.gz NOQRODWZOQBQDJ-HIFRSBDPSA-N 1 2 246.329 2.803 20 30 BFEDLO C[C@H]1C[C@H](c2ccccc2)[N@H+](CC#N)C1 ZINC000285550212 342719637 /nfs/dbraw/zinc/71/96/37/342719637.db2.gz GKJNBQXZABYKOV-WCQYABFASA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC#N)C1 ZINC000285550212 342719638 /nfs/dbraw/zinc/71/96/38/342719638.db2.gz GKJNBQXZABYKOV-WCQYABFASA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccccc1F ZINC000042375309 342773524 /nfs/dbraw/zinc/77/35/24/342773524.db2.gz AAEFWSMEHOMWSO-UWVGGRQHSA-N 1 2 206.264 2.778 20 30 BFEDLO Cc1c[nH+]cc(NC2CCC(C#N)CC2)c1 ZINC000602574346 349623235 /nfs/dbraw/zinc/62/32/35/349623235.db2.gz KDEDTURSBMPDGN-UHFFFAOYSA-N 1 2 215.300 2.884 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000602607441 349629909 /nfs/dbraw/zinc/62/99/09/349629909.db2.gz JXYOOKOEFQMXAW-UHFFFAOYSA-N 1 2 247.273 2.606 20 30 BFEDLO Cc1c2c([nH+]c3ccc(C#N)cc13)CCC2 ZINC000416388547 398305149 /nfs/dbraw/zinc/30/51/49/398305149.db2.gz LQOXBUHPWSIFDV-UHFFFAOYSA-N 1 2 208.264 2.904 20 30 BFEDLO N#CCC[NH2+]Cc1csc(Br)c1 ZINC000035250991 342886517 /nfs/dbraw/zinc/88/65/17/342886517.db2.gz ULSXGPNQMAYQLV-UHFFFAOYSA-N 1 2 245.145 2.514 20 30 BFEDLO CC[C@H]([NH2+]C1CCC(C#N)CC1)C(F)(F)F ZINC000602630906 349648529 /nfs/dbraw/zinc/64/85/29/349648529.db2.gz OSPDZPUYBCNPHX-RTBKNWGFSA-N 1 2 234.265 2.999 20 30 BFEDLO CC[C@H]([NH2+]C[C@H](C)CCC#N)C(F)(F)F ZINC000602628013 349664388 /nfs/dbraw/zinc/66/43/88/349664388.db2.gz ADNNVAFJJYALIO-BDAKNGLRSA-N 1 2 222.254 2.857 20 30 BFEDLO N#Cc1c(F)cccc1C[NH+]1CC(C2CC2)C1 ZINC000602673688 349667679 /nfs/dbraw/zinc/66/76/79/349667679.db2.gz BIFYXUJATXEXHV-UHFFFAOYSA-N 1 2 230.286 2.539 20 30 BFEDLO C[C@H]([NH2+]C1CCC(C#N)CC1)C(F)(F)F ZINC000602662668 349682289 /nfs/dbraw/zinc/68/22/89/349682289.db2.gz QIBRDOWHMJTGDC-UEJVZZJDSA-N 1 2 220.238 2.609 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000602862023 349773349 /nfs/dbraw/zinc/77/33/49/349773349.db2.gz KIJVEECXGQQIRK-VIFPVBQESA-N 1 2 247.323 2.795 20 30 BFEDLO C[C@@H](F)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000351880480 136262431 /nfs/dbraw/zinc/26/24/31/136262431.db2.gz XLINAGUSKYFAIR-GFCCVEGCSA-N 1 2 235.306 2.545 20 30 BFEDLO C[C@@H](F)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000351880480 136262432 /nfs/dbraw/zinc/26/24/32/136262432.db2.gz XLINAGUSKYFAIR-GFCCVEGCSA-N 1 2 235.306 2.545 20 30 BFEDLO CCC(F)(F)C[NH+]1CCC(CC#N)CC1 ZINC000602807897 349770585 /nfs/dbraw/zinc/77/05/85/349770585.db2.gz UNEDKCURYWUFAH-UHFFFAOYSA-N 1 2 216.275 2.657 20 30 BFEDLO C=CC[C@@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000172037553 187226976 /nfs/dbraw/zinc/22/69/76/187226976.db2.gz ORBSSNACUXVART-TZMCWYRMSA-N 1 2 247.338 2.845 20 30 BFEDLO C=C(C)C[N@@H+](CC)CC(=C)Br ZINC000052440640 343117719 /nfs/dbraw/zinc/11/77/19/343117719.db2.gz FRWTXYLYIKUFKV-UHFFFAOYSA-N 1 2 218.138 2.793 20 30 BFEDLO C=C(C)C[N@H+](CC)CC(=C)Br ZINC000052440640 343117721 /nfs/dbraw/zinc/11/77/21/343117721.db2.gz FRWTXYLYIKUFKV-UHFFFAOYSA-N 1 2 218.138 2.793 20 30 BFEDLO C=C1CC[NH+]([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000265492085 187234977 /nfs/dbraw/zinc/23/49/77/187234977.db2.gz WBOYQQYRPXAKMY-AWEZNQCLSA-N 1 2 245.322 2.553 20 30 BFEDLO C#CCCC[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000270868947 187236839 /nfs/dbraw/zinc/23/68/39/187236839.db2.gz BKDBMVOTNRTARI-OAHLLOKOSA-N 1 2 245.322 2.680 20 30 BFEDLO C#CC[N@@H+](CC)Cc1csc(CCC)n1 ZINC000267219489 187235551 /nfs/dbraw/zinc/23/55/51/187235551.db2.gz AKNNVKFEUMWDBM-UHFFFAOYSA-N 1 2 222.357 2.551 20 30 BFEDLO C#CC[N@H+](CC)Cc1csc(CCC)n1 ZINC000267219489 187235553 /nfs/dbraw/zinc/23/55/53/187235553.db2.gz AKNNVKFEUMWDBM-UHFFFAOYSA-N 1 2 222.357 2.551 20 30 BFEDLO C[C@H](CC#N)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000602869871 349801036 /nfs/dbraw/zinc/80/10/36/349801036.db2.gz QCCKTNFMTVPKMY-LLVKDONJSA-N 1 2 232.714 2.583 20 30 BFEDLO CC[N@@H+](CCC#N)CCOc1cccc(C)c1 ZINC000266944760 136281709 /nfs/dbraw/zinc/28/17/09/136281709.db2.gz SGSFUEOLHMHTLZ-UHFFFAOYSA-N 1 2 232.327 2.609 20 30 BFEDLO CC[N@H+](CCC#N)CCOc1cccc(C)c1 ZINC000266944760 136281710 /nfs/dbraw/zinc/28/17/10/136281710.db2.gz SGSFUEOLHMHTLZ-UHFFFAOYSA-N 1 2 232.327 2.609 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000609030819 343261224 /nfs/dbraw/zinc/26/12/24/343261224.db2.gz NCEMUFVDCKEAHC-NSHDSACASA-N 1 2 241.294 2.733 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000165424917 343311263 /nfs/dbraw/zinc/31/12/63/343311263.db2.gz ISLAMGKZTDKHBQ-GFCCVEGCSA-N 1 2 227.311 2.601 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000165424917 343311265 /nfs/dbraw/zinc/31/12/65/343311265.db2.gz ISLAMGKZTDKHBQ-GFCCVEGCSA-N 1 2 227.311 2.601 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1nccs1 ZINC000070634419 343336606 /nfs/dbraw/zinc/33/66/06/343336606.db2.gz MTQMOUSTULESSO-ZETCQYMHSA-N 1 2 202.710 2.546 20 30 BFEDLO C[C@@]1(F)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335667746 136311637 /nfs/dbraw/zinc/31/16/37/136311637.db2.gz HLXBEDBJRHQBIF-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335667746 136311638 /nfs/dbraw/zinc/31/16/38/136311638.db2.gz HLXBEDBJRHQBIF-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@]1(F)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335667747 136311919 /nfs/dbraw/zinc/31/19/19/136311919.db2.gz HLXBEDBJRHQBIF-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@]1(F)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335667747 136311920 /nfs/dbraw/zinc/31/19/20/136311920.db2.gz HLXBEDBJRHQBIF-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO CC1(C)CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329383872 136365370 /nfs/dbraw/zinc/36/53/70/136365370.db2.gz PANPAIBSBCYXOB-SNVBAGLBSA-N 1 2 235.331 2.878 20 30 BFEDLO CC1(C)CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329383872 136365371 /nfs/dbraw/zinc/36/53/71/136365371.db2.gz PANPAIBSBCYXOB-SNVBAGLBSA-N 1 2 235.331 2.878 20 30 BFEDLO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000351102169 136367878 /nfs/dbraw/zinc/36/78/78/136367878.db2.gz PMVIUKUXDSAHMT-CYBMUJFWSA-N 1 2 246.354 2.546 20 30 BFEDLO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000351102169 136367879 /nfs/dbraw/zinc/36/78/79/136367879.db2.gz PMVIUKUXDSAHMT-CYBMUJFWSA-N 1 2 246.354 2.546 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1nc2cccnc2s1 ZINC000351102186 136367892 /nfs/dbraw/zinc/36/78/92/136367892.db2.gz POKWJKBSPCVQMS-UHFFFAOYSA-N 1 2 233.340 2.699 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1nc2cccnc2s1 ZINC000351102186 136367893 /nfs/dbraw/zinc/36/78/93/136367893.db2.gz POKWJKBSPCVQMS-UHFFFAOYSA-N 1 2 233.340 2.699 20 30 BFEDLO C[N@H+](Cc1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000258974131 136374289 /nfs/dbraw/zinc/37/42/89/136374289.db2.gz VLYPCEDUFRZOIY-UHFFFAOYSA-N 1 2 238.281 2.946 20 30 BFEDLO C[N@@H+](Cc1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000258974131 136374290 /nfs/dbraw/zinc/37/42/90/136374290.db2.gz VLYPCEDUFRZOIY-UHFFFAOYSA-N 1 2 238.281 2.946 20 30 BFEDLO CCN(Cc1c(C)cc(C)[nH+]c1C)[C@H](C)C#N ZINC000602903852 349817506 /nfs/dbraw/zinc/81/75/06/349817506.db2.gz UFVSJFHLQSLVSJ-GFCCVEGCSA-N 1 2 231.343 2.741 20 30 BFEDLO N#CCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000051472589 343625628 /nfs/dbraw/zinc/62/56/28/343625628.db2.gz UXXAUOWZVOIPPX-ZDUSSCGKSA-N 1 2 218.275 2.876 20 30 BFEDLO N#CCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000051472589 343625631 /nfs/dbraw/zinc/62/56/31/343625631.db2.gz UXXAUOWZVOIPPX-ZDUSSCGKSA-N 1 2 218.275 2.876 20 30 BFEDLO C[N@H+](Cc1cncc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000602982705 349835114 /nfs/dbraw/zinc/83/51/14/349835114.db2.gz XAJKPJZAKFCMPW-AAEUAGOBSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1cncc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000602982705 349835117 /nfs/dbraw/zinc/83/51/17/349835117.db2.gz XAJKPJZAKFCMPW-AAEUAGOBSA-N 1 2 249.745 2.859 20 30 BFEDLO COc1ccccc1C[C@@H]([NH2+][C@H](C)C#N)C(C)C ZINC000178397900 346954267 /nfs/dbraw/zinc/95/42/67/346954267.db2.gz HNHHNOZKXFPQBV-TZMCWYRMSA-N 1 2 246.354 2.764 20 30 BFEDLO COc1ccccc1C[C@@H]([NH2+][C@@H](C)C#N)C(C)C ZINC000178397807 346954293 /nfs/dbraw/zinc/95/42/93/346954293.db2.gz HNHHNOZKXFPQBV-GXTWGEPZSA-N 1 2 246.354 2.764 20 30 BFEDLO Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)s1 ZINC000602978137 349841948 /nfs/dbraw/zinc/84/19/48/349841948.db2.gz MEBVFCLDGAAPCO-NWDGAFQWSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nc(C)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)s1 ZINC000602978137 349841949 /nfs/dbraw/zinc/84/19/49/349841949.db2.gz MEBVFCLDGAAPCO-NWDGAFQWSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1ccnc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602979918 349844291 /nfs/dbraw/zinc/84/42/91/349844291.db2.gz JCLPHECGRAGJRL-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccnc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602979918 349844294 /nfs/dbraw/zinc/84/42/94/349844294.db2.gz JCLPHECGRAGJRL-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccncc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980427 349845506 /nfs/dbraw/zinc/84/55/06/349845506.db2.gz QACHVDNMHXTZMI-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccncc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980427 349845508 /nfs/dbraw/zinc/84/55/08/349845508.db2.gz QACHVDNMHXTZMI-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)cn1)[C@H]1CCC[C@@H]1C#N ZINC000602980624 349846068 /nfs/dbraw/zinc/84/60/68/349846068.db2.gz SJJMWHGESXHZNW-MFKMUULPSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)cn1)[C@H]1CCC[C@@H]1C#N ZINC000602980624 349846071 /nfs/dbraw/zinc/84/60/71/349846071.db2.gz SJJMWHGESXHZNW-MFKMUULPSA-N 1 2 249.745 2.859 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574172 192364513 /nfs/dbraw/zinc/36/45/13/192364513.db2.gz DSQJCBKBMYKCBN-LLVKDONJSA-N 1 2 246.354 2.917 20 30 BFEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000334468737 343882698 /nfs/dbraw/zinc/88/26/98/343882698.db2.gz YDXUVVCLDAEWKN-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000334468737 343882701 /nfs/dbraw/zinc/88/27/01/343882701.db2.gz YDXUVVCLDAEWKN-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000334321407 343868775 /nfs/dbraw/zinc/86/87/75/343868775.db2.gz WVNZLJNISYCLMW-AWEZNQCLSA-N 1 2 248.301 2.501 20 30 BFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@](C)(F)C1 ZINC000334321407 343868778 /nfs/dbraw/zinc/86/87/78/343868778.db2.gz WVNZLJNISYCLMW-AWEZNQCLSA-N 1 2 248.301 2.501 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(Cl)c1O ZINC000180057020 347010339 /nfs/dbraw/zinc/01/03/39/347010339.db2.gz BOVNTNSZBWUZEO-VIFPVBQESA-N 1 2 238.718 2.780 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180057020 347010340 /nfs/dbraw/zinc/01/03/40/347010340.db2.gz BOVNTNSZBWUZEO-VIFPVBQESA-N 1 2 238.718 2.780 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cnc(C2CC2)o1 ZINC000628118816 343969143 /nfs/dbraw/zinc/96/91/43/343969143.db2.gz LYCQDKLMLUCCGF-UHFFFAOYSA-N 1 2 218.300 2.726 20 30 BFEDLO C=CC[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625704736 344049859 /nfs/dbraw/zinc/04/98/59/344049859.db2.gz JEKGPSZNKRPGAK-NSHDSACASA-N 1 2 247.342 2.735 20 30 BFEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625704736 344049860 /nfs/dbraw/zinc/04/98/60/344049860.db2.gz JEKGPSZNKRPGAK-NSHDSACASA-N 1 2 247.342 2.735 20 30 BFEDLO COc1cc(Cl)ccc1C[NH2+][C@@H](C)CC#N ZINC000067407536 344210256 /nfs/dbraw/zinc/21/02/56/344210256.db2.gz KNNWHQPNUXZADU-VIFPVBQESA-N 1 2 238.718 2.740 20 30 BFEDLO C=CC1CCN(c2cc[nH+]cc2F)CC1 ZINC000641368406 362378577 /nfs/dbraw/zinc/37/85/77/362378577.db2.gz VBZRVURJJBBLDY-UHFFFAOYSA-N 1 2 206.264 2.623 20 30 BFEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)ccn1 ZINC000600859736 344383290 /nfs/dbraw/zinc/38/32/90/344383290.db2.gz KUIMULKFMQGDIY-UONOGXRCSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)ccn1 ZINC000600859736 344383293 /nfs/dbraw/zinc/38/32/93/344383293.db2.gz KUIMULKFMQGDIY-UONOGXRCSA-N 1 2 229.327 2.514 20 30 BFEDLO C=CCCC[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641480720 362451602 /nfs/dbraw/zinc/45/16/02/362451602.db2.gz QZBNRLFAEZOGMY-LLVKDONJSA-N 1 2 220.316 2.731 20 30 BFEDLO C=C(CC)C[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000358621047 344672572 /nfs/dbraw/zinc/67/25/72/344672572.db2.gz RCTZJUINCJUIHR-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C(CC)C[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000358621047 344672575 /nfs/dbraw/zinc/67/25/75/344672575.db2.gz RCTZJUINCJUIHR-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO C=CCN(CC=C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119857351 344636416 /nfs/dbraw/zinc/63/64/16/344636416.db2.gz GFNIMRVTQGFFTC-UHFFFAOYSA-N 1 2 231.299 2.596 20 30 BFEDLO C[C@@H]1CC[N@H+](CCC#N)[C@H](c2ccco2)C1 ZINC000076184277 344799216 /nfs/dbraw/zinc/79/92/16/344799216.db2.gz DWZTYLZIPBKUBP-NEPJUHHUSA-N 1 2 218.300 2.966 20 30 BFEDLO C[C@@H]1CC[N@@H+](CCC#N)[C@H](c2ccco2)C1 ZINC000076184277 344799217 /nfs/dbraw/zinc/79/92/17/344799217.db2.gz DWZTYLZIPBKUBP-NEPJUHHUSA-N 1 2 218.300 2.966 20 30 BFEDLO N#CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119064959 344838022 /nfs/dbraw/zinc/83/80/22/344838022.db2.gz HRLZEGGHNYQJKI-GJZGRUSLSA-N 1 2 228.339 2.901 20 30 BFEDLO Oc1ccc(/C=[NH+]/CCC2=CCCC2)c(O)c1O ZINC000133102967 345360418 /nfs/dbraw/zinc/36/04/18/345360418.db2.gz BXGIDGCBFOAGGD-OQLLNIDSSA-N 1 2 247.294 2.723 20 30 BFEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCC#N ZINC000335556434 345394792 /nfs/dbraw/zinc/39/47/92/345394792.db2.gz FWCGLKGPVBQMMD-QMMMGPOBSA-N 1 2 220.238 2.563 20 30 BFEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC#N ZINC000335556434 345394795 /nfs/dbraw/zinc/39/47/95/345394795.db2.gz FWCGLKGPVBQMMD-QMMMGPOBSA-N 1 2 220.238 2.563 20 30 BFEDLO N#CCCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084137013 345511228 /nfs/dbraw/zinc/51/12/28/345511228.db2.gz VHXXEJLDKRHJTD-UHFFFAOYSA-N 1 2 236.265 2.627 20 30 BFEDLO N#CCCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084137013 345511231 /nfs/dbraw/zinc/51/12/31/345511231.db2.gz VHXXEJLDKRHJTD-UHFFFAOYSA-N 1 2 236.265 2.627 20 30 BFEDLO C[C@H]([NH2+]CC(C)(F)F)c1ccc(C#N)cc1 ZINC000378775776 345560901 /nfs/dbraw/zinc/56/09/01/345560901.db2.gz FDCMCFKCFPLWEU-VIFPVBQESA-N 1 2 224.254 2.864 20 30 BFEDLO C=CCOCCOc1ccc(C)[nH+]c1CC ZINC000418993432 192096188 /nfs/dbraw/zinc/09/61/88/192096188.db2.gz OGPJGBAGNPXRFP-UHFFFAOYSA-N 1 2 221.300 2.534 20 30 BFEDLO COc1cc[nH+]cc1NC(=O)CCCCCC#N ZINC000588154942 346637456 /nfs/dbraw/zinc/63/74/56/346637456.db2.gz LVHFJNDKHUKFHS-UHFFFAOYSA-N 1 2 247.298 2.503 20 30 BFEDLO N#C[C@@]1(F)CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000589743207 346734404 /nfs/dbraw/zinc/73/44/04/346734404.db2.gz SYEMZOJCMQTRAM-KKUMJFAQSA-N 1 2 244.313 2.728 20 30 BFEDLO N#C[C@@]1(F)CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000589743207 346734406 /nfs/dbraw/zinc/73/44/06/346734406.db2.gz SYEMZOJCMQTRAM-KKUMJFAQSA-N 1 2 244.313 2.728 20 30 BFEDLO C[N@@H+](C/C=C\c1ccccc1)CCC#N ZINC000206250925 346739706 /nfs/dbraw/zinc/73/97/06/346739706.db2.gz CEHUEXWKKCCEKH-UITAMQMPSA-N 1 2 200.285 2.545 20 30 BFEDLO C[N@H+](C/C=C\c1ccccc1)CCC#N ZINC000206250925 346739710 /nfs/dbraw/zinc/73/97/10/346739710.db2.gz CEHUEXWKKCCEKH-UITAMQMPSA-N 1 2 200.285 2.545 20 30 BFEDLO C=CC(C)(C)C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000419223532 192106274 /nfs/dbraw/zinc/10/62/74/192106274.db2.gz DFVUWRUVRDYTKY-CYBMUJFWSA-N 1 2 247.338 2.703 20 30 BFEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1C ZINC000193880631 347406995 /nfs/dbraw/zinc/40/69/95/347406995.db2.gz SJICBCJXVFHVJC-GFCCVEGCSA-N 1 2 232.327 2.738 20 30 BFEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1C ZINC000193880631 347406998 /nfs/dbraw/zinc/40/69/98/347406998.db2.gz SJICBCJXVFHVJC-GFCCVEGCSA-N 1 2 232.327 2.738 20 30 BFEDLO C=Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)cn1 ZINC000193881498 347407462 /nfs/dbraw/zinc/40/74/62/347407462.db2.gz QYNXVYAELWXRSS-UHFFFAOYSA-N 1 2 246.358 2.745 20 30 BFEDLO C=Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)cn1 ZINC000193881498 347407466 /nfs/dbraw/zinc/40/74/66/347407466.db2.gz QYNXVYAELWXRSS-UHFFFAOYSA-N 1 2 246.358 2.745 20 30 BFEDLO CCc1cc(N[C@H]2CC[C@@H](CC#N)C2)nc[nH+]1 ZINC000590711730 347498935 /nfs/dbraw/zinc/49/89/35/347498935.db2.gz UBSYEFMQHWVOAZ-JQWIXIFHSA-N 1 2 230.315 2.533 20 30 BFEDLO C=CC1CC[NH+](Cc2noc(C(C)C)n2)CC1 ZINC000111259972 347473098 /nfs/dbraw/zinc/47/30/98/347473098.db2.gz PKELZPACWFNXAR-UHFFFAOYSA-N 1 2 235.331 2.591 20 30 BFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCc2sccc2C1 ZINC000192957129 365898308 /nfs/dbraw/zinc/89/83/08/365898308.db2.gz VTTCIBYHAWSWCS-LLVKDONJSA-N 1 2 245.351 2.550 20 30 BFEDLO N#CCC[C@H](C#N)C[N@H+]1CCc2sccc2C1 ZINC000192957129 365898313 /nfs/dbraw/zinc/89/83/13/365898313.db2.gz VTTCIBYHAWSWCS-LLVKDONJSA-N 1 2 245.351 2.550 20 30 BFEDLO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CC#N)C1 ZINC000592153903 347744677 /nfs/dbraw/zinc/74/46/77/347744677.db2.gz MDAFGHRLLMMGIH-NEPJUHHUSA-N 1 2 206.333 2.658 20 30 BFEDLO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CC#N)C1 ZINC000592153903 347744679 /nfs/dbraw/zinc/74/46/79/347744679.db2.gz MDAFGHRLLMMGIH-NEPJUHHUSA-N 1 2 206.333 2.658 20 30 BFEDLO C[C@@]1(c2cccc(F)c2)CC[N@H+](CCC#N)C1 ZINC000593045623 347843807 /nfs/dbraw/zinc/84/38/07/347843807.db2.gz KAHJTBGWRKBFTF-CQSZACIVSA-N 1 2 232.302 2.703 20 30 BFEDLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCC#N)C1 ZINC000593045623 347843809 /nfs/dbraw/zinc/84/38/09/347843809.db2.gz KAHJTBGWRKBFTF-CQSZACIVSA-N 1 2 232.302 2.703 20 30 BFEDLO CSc1ccc[nH+]c1N[C@H]1CC[C@@H](C#N)C1 ZINC000593679853 347932439 /nfs/dbraw/zinc/93/24/39/347932439.db2.gz DFJQKMZGWAXBGC-ZJUUUORDSA-N 1 2 233.340 2.908 20 30 BFEDLO CC1(C)C[C@H]([NH2+]CCC#N)c2ccc(F)cc2O1 ZINC000577423642 365951824 /nfs/dbraw/zinc/95/18/24/365951824.db2.gz NZCBOBYGDFWVAX-LBPRGKRZSA-N 1 2 248.301 2.931 20 30 BFEDLO N#CCCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594030775 347993011 /nfs/dbraw/zinc/99/30/11/347993011.db2.gz FQMJQVUODNXTGK-UHFFFAOYSA-N 1 2 236.265 2.974 20 30 BFEDLO CC[N@@H+](CC#N)CC[C@H]1CCc2ccccc21 ZINC000595301434 348218872 /nfs/dbraw/zinc/21/88/72/348218872.db2.gz KUBWYGIZRMOJSB-CQSZACIVSA-N 1 2 228.339 2.952 20 30 BFEDLO CC[N@H+](CC#N)CC[C@H]1CCc2ccccc21 ZINC000595301434 348218876 /nfs/dbraw/zinc/21/88/76/348218876.db2.gz KUBWYGIZRMOJSB-CQSZACIVSA-N 1 2 228.339 2.952 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccncn1 ZINC000595092191 348192703 /nfs/dbraw/zinc/19/27/03/348192703.db2.gz YRMSEGHVQXITPR-LBPRGKRZSA-N 1 2 244.342 2.601 20 30 BFEDLO C[C@H]1CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595302586 348209811 /nfs/dbraw/zinc/20/98/11/348209811.db2.gz VXNBRPFJOMOVHS-WCQYABFASA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@H]1CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595302586 348209814 /nfs/dbraw/zinc/20/98/14/348209814.db2.gz VXNBRPFJOMOVHS-WCQYABFASA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@@H]1CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595302585 348209957 /nfs/dbraw/zinc/20/99/57/348209957.db2.gz VXNBRPFJOMOVHS-DGCLKSJQSA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@@H]1CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595302585 348209959 /nfs/dbraw/zinc/20/99/59/348209959.db2.gz VXNBRPFJOMOVHS-DGCLKSJQSA-N 1 2 200.285 2.593 20 30 BFEDLO CC1(C#N)C[NH+](CC[C@H]2CCc3ccccc32)C1 ZINC000595467988 348258755 /nfs/dbraw/zinc/25/87/55/348258755.db2.gz WKNRPRDTLMJEFG-CQSZACIVSA-N 1 2 240.350 2.952 20 30 BFEDLO C[C@H]1C[N@@H+]([C@H](C#N)c2ccccc2)C[C@H]1C ZINC000595332509 348229257 /nfs/dbraw/zinc/22/92/57/348229257.db2.gz GPPMJPMFOSBVHH-MBNYWOFBSA-N 1 2 214.312 2.839 20 30 BFEDLO C[C@H]1C[N@H+]([C@H](C#N)c2ccccc2)C[C@H]1C ZINC000595332509 348229258 /nfs/dbraw/zinc/22/92/58/348229258.db2.gz GPPMJPMFOSBVHH-MBNYWOFBSA-N 1 2 214.312 2.839 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@@H](OC)C1CCCC1 ZINC000595501513 348263923 /nfs/dbraw/zinc/26/39/23/348263923.db2.gz LISNHHBDGUWYAM-CQSZACIVSA-N 1 2 236.359 2.593 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@@H](OC)C1CCCC1 ZINC000595501513 348263925 /nfs/dbraw/zinc/26/39/25/348263925.db2.gz LISNHHBDGUWYAM-CQSZACIVSA-N 1 2 236.359 2.593 20 30 BFEDLO CC(C)([NH2+]CC(F)F)c1cccc(C#N)c1 ZINC000595633499 348289929 /nfs/dbraw/zinc/28/99/29/348289929.db2.gz SZKSMFVYFWGIJX-UHFFFAOYSA-N 1 2 224.254 2.648 20 30 BFEDLO C=CC[N@H+](CCC#N)CCc1ccc(C#N)cc1 ZINC000595501817 348263580 /nfs/dbraw/zinc/26/35/80/348263580.db2.gz NHNGQHIQLGDVBF-UHFFFAOYSA-N 1 2 239.322 2.502 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCc1ccc(C#N)cc1 ZINC000595501817 348263583 /nfs/dbraw/zinc/26/35/83/348263583.db2.gz NHNGQHIQLGDVBF-UHFFFAOYSA-N 1 2 239.322 2.502 20 30 BFEDLO CC[N@H+](CCCc1ccccc1)[C@H](C)C#N ZINC000595813477 348352752 /nfs/dbraw/zinc/35/27/52/348352752.db2.gz UQCXDPFWTRVMOF-CYBMUJFWSA-N 1 2 216.328 2.853 20 30 BFEDLO CC[N@@H+](CCCc1ccccc1)[C@H](C)C#N ZINC000595813477 348352757 /nfs/dbraw/zinc/35/27/57/348352757.db2.gz UQCXDPFWTRVMOF-CYBMUJFWSA-N 1 2 216.328 2.853 20 30 BFEDLO C[C@@H](C#N)[N@H+](CCCc1ccccc1)C1CC1 ZINC000595714674 348325635 /nfs/dbraw/zinc/32/56/35/348325635.db2.gz YAAWEKKHARKJGC-ZDUSSCGKSA-N 1 2 228.339 2.996 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CCCc1ccccc1)C1CC1 ZINC000595714674 348325639 /nfs/dbraw/zinc/32/56/39/348325639.db2.gz YAAWEKKHARKJGC-ZDUSSCGKSA-N 1 2 228.339 2.996 20 30 BFEDLO C[C@H](C#N)[N@H+](CCCc1ccccc1)C1CC1 ZINC000595714673 348325733 /nfs/dbraw/zinc/32/57/33/348325733.db2.gz YAAWEKKHARKJGC-CYBMUJFWSA-N 1 2 228.339 2.996 20 30 BFEDLO C[C@H](C#N)[N@@H+](CCCc1ccccc1)C1CC1 ZINC000595714673 348325736 /nfs/dbraw/zinc/32/57/36/348325736.db2.gz YAAWEKKHARKJGC-CYBMUJFWSA-N 1 2 228.339 2.996 20 30 BFEDLO N#CCCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595758927 348331894 /nfs/dbraw/zinc/33/18/94/348331894.db2.gz KOYWLQFEIDUJOP-CQSZACIVSA-N 1 2 248.301 2.503 20 30 BFEDLO N#CCCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595758927 348331897 /nfs/dbraw/zinc/33/18/97/348331897.db2.gz KOYWLQFEIDUJOP-CQSZACIVSA-N 1 2 248.301 2.503 20 30 BFEDLO N#CCC[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000088116950 362904937 /nfs/dbraw/zinc/90/49/37/362904937.db2.gz UJGUBNHZHPWIMU-MRVPVSSYSA-N 1 2 226.732 2.892 20 30 BFEDLO N#CCC1C[NH+](Cc2ccc(Cl)s2)C1 ZINC000597193504 348671621 /nfs/dbraw/zinc/67/16/21/348671621.db2.gz FUTYJDGFVIURFE-UHFFFAOYSA-N 1 2 226.732 2.747 20 30 BFEDLO CC(C)n1ccnc1C[NH2+]CC1(C#N)CCCC1 ZINC000597157124 348665936 /nfs/dbraw/zinc/66/59/36/348665936.db2.gz DDNAZDSAECFPKB-UHFFFAOYSA-N 1 2 246.358 2.638 20 30 BFEDLO CC(C)n1cc[nH+]c1CNCC1(C#N)CCCC1 ZINC000597157124 348665937 /nfs/dbraw/zinc/66/59/37/348665937.db2.gz DDNAZDSAECFPKB-UHFFFAOYSA-N 1 2 246.358 2.638 20 30 BFEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)c(Cl)c1 ZINC000597203787 348677596 /nfs/dbraw/zinc/67/75/96/348677596.db2.gz OTGVCYNTXYFUBZ-UHFFFAOYSA-N 1 2 234.730 2.994 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1c(F)cccc1Cl ZINC000308844092 348851994 /nfs/dbraw/zinc/85/19/94/348851994.db2.gz LJKKBNLAQZFFLN-QMMMGPOBSA-N 1 2 226.682 2.871 20 30 BFEDLO CC[N@@H+](Cc1cncc(Cl)c1)C[C@H](C)C#N ZINC000598590909 348997368 /nfs/dbraw/zinc/99/73/68/348997368.db2.gz SDYMSCOBZFCKFQ-SNVBAGLBSA-N 1 2 237.734 2.717 20 30 BFEDLO CC[N@H+](Cc1cncc(Cl)c1)C[C@H](C)C#N ZINC000598590909 348997370 /nfs/dbraw/zinc/99/73/70/348997370.db2.gz SDYMSCOBZFCKFQ-SNVBAGLBSA-N 1 2 237.734 2.717 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000598624752 349003665 /nfs/dbraw/zinc/00/36/65/349003665.db2.gz GPORPXWEDGJYKI-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000598624752 349003669 /nfs/dbraw/zinc/00/36/69/349003669.db2.gz GPORPXWEDGJYKI-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO Cc1ccc(C[N@@H+]2CCC=C(F)C2)cc1C#N ZINC000599344248 349154186 /nfs/dbraw/zinc/15/41/86/349154186.db2.gz BBTKRBXYEQDRMJ-UHFFFAOYSA-N 1 2 230.286 2.926 20 30 BFEDLO Cc1ccc(C[N@H+]2CCC=C(F)C2)cc1C#N ZINC000599344248 349154187 /nfs/dbraw/zinc/15/41/87/349154187.db2.gz BBTKRBXYEQDRMJ-UHFFFAOYSA-N 1 2 230.286 2.926 20 30 BFEDLO CCCc1csc(C[NH+]2CCC(C#N)CC2)n1 ZINC000426410847 191030336 /nfs/dbraw/zinc/03/03/36/191030336.db2.gz NLTONNCQVOUTNR-UHFFFAOYSA-N 1 2 249.383 2.831 20 30 BFEDLO Cc1ncc(C[N@H+](C)Cc2ccc(C#N)o2)s1 ZINC000179381955 180138451 /nfs/dbraw/zinc/13/84/51/180138451.db2.gz TXYPHZHHFDNYNW-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO Cc1ncc(C[N@@H+](C)Cc2ccc(C#N)o2)s1 ZINC000179381955 180138453 /nfs/dbraw/zinc/13/84/53/180138453.db2.gz TXYPHZHHFDNYNW-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO Cc1ncc(C[N@@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000336707213 350460554 /nfs/dbraw/zinc/46/05/54/350460554.db2.gz SFXBYNPPDGNJPI-SECBINFHSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1ncc(C[N@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000336707213 350460556 /nfs/dbraw/zinc/46/05/56/350460556.db2.gz SFXBYNPPDGNJPI-SECBINFHSA-N 1 2 235.356 2.576 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000163747563 350735065 /nfs/dbraw/zinc/73/50/65/350735065.db2.gz LLMJCZDESIOFRG-SNVBAGLBSA-N 1 2 249.745 2.976 20 30 BFEDLO CC#CC[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000339756783 350817593 /nfs/dbraw/zinc/81/75/93/350817593.db2.gz NTEXOAWZGVUJTI-UHFFFAOYSA-N 1 2 236.384 2.896 20 30 BFEDLO CC#CC[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000339756783 350817595 /nfs/dbraw/zinc/81/75/95/350817595.db2.gz NTEXOAWZGVUJTI-UHFFFAOYSA-N 1 2 236.384 2.896 20 30 BFEDLO CC#CC[N@@H+](C)Cc1c(Cl)cccc1OC ZINC000339756881 350817932 /nfs/dbraw/zinc/81/79/32/350817932.db2.gz PIHIQJXFCOEGIO-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO CC#CC[N@H+](C)Cc1c(Cl)cccc1OC ZINC000339756881 350817936 /nfs/dbraw/zinc/81/79/36/350817936.db2.gz PIHIQJXFCOEGIO-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000397676477 350959850 /nfs/dbraw/zinc/95/98/50/350959850.db2.gz JEBQTRRKGXXZOO-WPVMNKCKSA-N 1 2 233.142 2.931 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000397676477 350959852 /nfs/dbraw/zinc/95/98/52/350959852.db2.gz JEBQTRRKGXXZOO-WPVMNKCKSA-N 1 2 233.142 2.931 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072581212 351288765 /nfs/dbraw/zinc/28/87/65/351288765.db2.gz JFXKDEVVAGXWAH-MNOVXSKESA-N 1 2 247.298 2.747 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072581212 351288767 /nfs/dbraw/zinc/28/87/67/351288767.db2.gz JFXKDEVVAGXWAH-MNOVXSKESA-N 1 2 247.298 2.747 20 30 BFEDLO N#CCOc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000272443097 351475309 /nfs/dbraw/zinc/47/53/09/351475309.db2.gz IXCDSVACZDPSLE-UHFFFAOYSA-N 1 2 246.285 2.648 20 30 BFEDLO N#CCOc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000272443097 351475313 /nfs/dbraw/zinc/47/53/13/351475313.db2.gz IXCDSVACZDPSLE-UHFFFAOYSA-N 1 2 246.285 2.648 20 30 BFEDLO CCc1c[nH+]ccc1NC(=O)[C@@](C)(C#N)CC ZINC000285350380 352038405 /nfs/dbraw/zinc/03/84/05/352038405.db2.gz AUOAFDULNHPKKU-CYBMUJFWSA-N 1 2 231.299 2.522 20 30 BFEDLO C[C@@]1(c2ccccc2)CCC[N@H+](CC#N)CC1 ZINC000285392927 352041341 /nfs/dbraw/zinc/04/13/41/352041341.db2.gz OFGPPXMVOFWMQZ-OAHLLOKOSA-N 1 2 228.339 2.954 20 30 BFEDLO C[C@@]1(c2ccccc2)CCC[N@@H+](CC#N)CC1 ZINC000285392927 352041344 /nfs/dbraw/zinc/04/13/44/352041344.db2.gz OFGPPXMVOFWMQZ-OAHLLOKOSA-N 1 2 228.339 2.954 20 30 BFEDLO C=CC[N@@H+](Cc1[nH]ncc1C)Cc1ccccc1 ZINC000290403029 352223751 /nfs/dbraw/zinc/22/37/51/352223751.db2.gz KPIPFLTWHURLIF-UHFFFAOYSA-N 1 2 241.338 2.906 20 30 BFEDLO C=CC[N@H+](Cc1[nH]ncc1C)Cc1ccccc1 ZINC000290403029 352223755 /nfs/dbraw/zinc/22/37/55/352223755.db2.gz KPIPFLTWHURLIF-UHFFFAOYSA-N 1 2 241.338 2.906 20 30 BFEDLO C=CC[N@@H+](Cc1n[nH]cc1C)Cc1ccccc1 ZINC000290403029 352223760 /nfs/dbraw/zinc/22/37/60/352223760.db2.gz KPIPFLTWHURLIF-UHFFFAOYSA-N 1 2 241.338 2.906 20 30 BFEDLO C=CC[N@H+](Cc1n[nH]cc1C)Cc1ccccc1 ZINC000290403029 352223763 /nfs/dbraw/zinc/22/37/63/352223763.db2.gz KPIPFLTWHURLIF-UHFFFAOYSA-N 1 2 241.338 2.906 20 30 BFEDLO C=CC[NH+](CC=C)[C@@H](C)c1ncc(C)o1 ZINC000411163736 191165581 /nfs/dbraw/zinc/16/55/81/191165581.db2.gz KOQPHEUSHJHOMT-NSHDSACASA-N 1 2 206.289 2.718 20 30 BFEDLO C=CCCN1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000411983494 191237035 /nfs/dbraw/zinc/23/70/35/191237035.db2.gz MCTVZVLMCHNKJT-HNNXBMFYSA-N 1 2 244.382 2.769 20 30 BFEDLO C=C1CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000334281531 352921734 /nfs/dbraw/zinc/92/17/34/352921734.db2.gz SPJADHWRSOHKLM-NSHDSACASA-N 1 2 206.289 2.696 20 30 BFEDLO CC#CC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000160060753 353252255 /nfs/dbraw/zinc/25/22/55/353252255.db2.gz OYZLKDOZZWJBHO-NSHDSACASA-N 1 2 247.342 2.791 20 30 BFEDLO C=C(C)CN(C)c1cc(N(C)CC(=C)C)[nH+]cn1 ZINC000129203732 353314693 /nfs/dbraw/zinc/31/46/93/353314693.db2.gz AYIICWLDXBYHPD-UHFFFAOYSA-N 1 2 246.358 2.501 20 30 BFEDLO CC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000171964982 188338504 /nfs/dbraw/zinc/33/85/04/188338504.db2.gz AFPPHYKUGPOTPF-SWLSCSKDSA-N 1 2 244.338 2.558 20 30 BFEDLO CC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000171964982 188338506 /nfs/dbraw/zinc/33/85/06/188338506.db2.gz AFPPHYKUGPOTPF-SWLSCSKDSA-N 1 2 244.338 2.558 20 30 BFEDLO C=CCCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000283120884 353490805 /nfs/dbraw/zinc/49/08/05/353490805.db2.gz WIAQVHFIQQBVBK-LBPRGKRZSA-N 1 2 235.331 2.579 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000563772650 353495388 /nfs/dbraw/zinc/49/53/88/353495388.db2.gz KUMMQMGSOVATIZ-QMMMGPOBSA-N 1 2 249.314 2.685 20 30 BFEDLO C=CCCCCCN(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284100797 353509175 /nfs/dbraw/zinc/50/91/75/353509175.db2.gz TVJQLLOAWVAICL-CMDGGOBGSA-N 1 2 247.342 2.628 20 30 BFEDLO C=CC[C@H](C)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000292015225 353703928 /nfs/dbraw/zinc/70/39/28/353703928.db2.gz BVLCBZQMSRGEMS-WCQYABFASA-N 1 2 248.374 2.980 20 30 BFEDLO C=CCOCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000293724448 353755799 /nfs/dbraw/zinc/75/57/99/353755799.db2.gz YSMOCHZUXFNAEM-UHFFFAOYSA-N 1 2 237.730 2.858 20 30 BFEDLO C=CCOCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000293724448 353755800 /nfs/dbraw/zinc/75/58/00/353755800.db2.gz YSMOCHZUXFNAEM-UHFFFAOYSA-N 1 2 237.730 2.858 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000185353746 353793530 /nfs/dbraw/zinc/79/35/30/353793530.db2.gz XHEAUNXVQOEZET-JTQLQIEISA-N 1 2 234.299 2.631 20 30 BFEDLO N#CC1(C[N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000336506151 181028672 /nfs/dbraw/zinc/02/86/72/181028672.db2.gz QCEKHBGCGBMNGZ-VIFPVBQESA-N 1 2 232.249 2.564 20 30 BFEDLO N#CC1(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000336506151 181028673 /nfs/dbraw/zinc/02/86/73/181028673.db2.gz QCEKHBGCGBMNGZ-VIFPVBQESA-N 1 2 232.249 2.564 20 30 BFEDLO 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BFEDLO C[C@H]1CCCC[C@H]1C[N@@H+](CC#N)C1CC1 ZINC000346136655 354870136 /nfs/dbraw/zinc/87/01/36/354870136.db2.gz IHHZKEINDSZXSR-RYUDHWBXSA-N 1 2 206.333 2.801 20 30 BFEDLO CC(C)(CCC#N)C[N@@H+]1CCC(F)(F)C1 ZINC000346298956 354877722 /nfs/dbraw/zinc/87/77/22/354877722.db2.gz SFYYNPWGTPJXJZ-UHFFFAOYSA-N 1 2 216.275 2.657 20 30 BFEDLO CC(C)(CCC#N)C[N@H+]1CCC(F)(F)C1 ZINC000346298956 354877723 /nfs/dbraw/zinc/87/77/23/354877723.db2.gz SFYYNPWGTPJXJZ-UHFFFAOYSA-N 1 2 216.275 2.657 20 30 BFEDLO C=C[C@H](C(=O)OC)[N@H+](CCC)Cc1ccccc1 ZINC000383679453 354896777 /nfs/dbraw/zinc/89/67/77/354896777.db2.gz WGOYAXRVRVVNDS-CQSZACIVSA-N 1 2 247.338 2.626 20 30 BFEDLO C=C[C@H](C(=O)OC)[N@@H+](CCC)Cc1ccccc1 ZINC000383679453 354896779 /nfs/dbraw/zinc/89/67/79/354896779.db2.gz WGOYAXRVRVVNDS-CQSZACIVSA-N 1 2 247.338 2.626 20 30 BFEDLO CCC[N@H+](CC#N)C[C@H](C)CC1CCOCC1 ZINC000349974644 355553453 /nfs/dbraw/zinc/55/34/53/355553453.db2.gz MVDCAFMKWAAMTK-CYBMUJFWSA-N 1 2 238.375 2.675 20 30 BFEDLO CCC[N@@H+](CC#N)C[C@H](C)CC1CCOCC1 ZINC000349974644 355553455 /nfs/dbraw/zinc/55/34/55/355553455.db2.gz MVDCAFMKWAAMTK-CYBMUJFWSA-N 1 2 238.375 2.675 20 30 BFEDLO N#CC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000335865564 355629519 /nfs/dbraw/zinc/62/95/19/355629519.db2.gz ZGXADHRDPANVRI-UHFFFAOYSA-N 1 2 247.367 2.756 20 30 BFEDLO C[C@]1(F)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000336146662 134102854 /nfs/dbraw/zinc/10/28/54/134102854.db2.gz FFVZHXBQKZDTCF-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000336146662 134102855 /nfs/dbraw/zinc/10/28/55/134102855.db2.gz FFVZHXBQKZDTCF-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC2(C#N)CCC2)on1 ZINC000336186993 134122078 /nfs/dbraw/zinc/12/20/78/134122078.db2.gz JKTOSZDASVVTTF-LBPRGKRZSA-N 1 2 245.326 2.814 20 30 BFEDLO Cc1cc([C@@H]2CCC[N@H+]2CC2(C#N)CCC2)on1 ZINC000336186993 134122079 /nfs/dbraw/zinc/12/20/79/134122079.db2.gz JKTOSZDASVVTTF-LBPRGKRZSA-N 1 2 245.326 2.814 20 30 BFEDLO C=CCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCCC1 ZINC000449854628 202045548 /nfs/dbraw/zinc/04/55/48/202045548.db2.gz YGMMNVKOBDCISX-UHFFFAOYSA-N 1 2 247.342 2.505 20 30 BFEDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCC#N ZINC000336253586 134141161 /nfs/dbraw/zinc/14/11/61/134141161.db2.gz INQPQDSIYLHVEL-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCC#N ZINC000336253586 134141162 /nfs/dbraw/zinc/14/11/62/134141162.db2.gz INQPQDSIYLHVEL-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1nnc(C2CC2)s1 ZINC000450246253 202107309 /nfs/dbraw/zinc/10/73/09/202107309.db2.gz QDBKSUCYURRUFN-UHFFFAOYSA-N 1 2 237.372 2.814 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1nnc(C2CC2)s1 ZINC000450246253 202107313 /nfs/dbraw/zinc/10/73/13/202107313.db2.gz QDBKSUCYURRUFN-UHFFFAOYSA-N 1 2 237.372 2.814 20 30 BFEDLO C#CCCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000302107475 134157597 /nfs/dbraw/zinc/15/75/97/134157597.db2.gz SKZPVZIDCWGSQI-UHFFFAOYSA-N 1 2 243.354 2.879 20 30 BFEDLO 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CC1=C[C@@H](C)C[C@@H](C[N@H+](CC#N)C2CC2)C1 ZINC000356056797 134176790 /nfs/dbraw/zinc/17/67/90/134176790.db2.gz DHUSLONLLCZIPE-DGCLKSJQSA-N 1 2 218.344 2.967 20 30 BFEDLO CC1=C[C@@H](C)C[C@@H](C[N@@H+](CC#N)C2CC2)C1 ZINC000356056797 134176791 /nfs/dbraw/zinc/17/67/91/134176791.db2.gz DHUSLONLLCZIPE-DGCLKSJQSA-N 1 2 218.344 2.967 20 30 BFEDLO Cc1csc(C(C)(C)[NH2+]CC2(C#N)CCC2)n1 ZINC000450567098 202198519 /nfs/dbraw/zinc/19/85/19/202198519.db2.gz LKHLXVTZABKDOB-UHFFFAOYSA-N 1 2 249.383 2.970 20 30 BFEDLO CC(C)COc1ccccc1C[NH2+]CCC#N ZINC000358210721 134187195 /nfs/dbraw/zinc/18/71/95/134187195.db2.gz NVDSYGLTNJMAPH-UHFFFAOYSA-N 1 2 232.327 2.725 20 30 BFEDLO CC[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H](C)C#N ZINC000191976482 357818908 /nfs/dbraw/zinc/81/89/08/357818908.db2.gz ANRHJPZWLZNMLG-NSHDSACASA-N 1 2 245.301 2.679 20 30 BFEDLO CC[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H](C)C#N ZINC000191976482 357818909 /nfs/dbraw/zinc/81/89/09/357818909.db2.gz ANRHJPZWLZNMLG-NSHDSACASA-N 1 2 245.301 2.679 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000546035035 325261925 /nfs/dbraw/zinc/26/19/25/325261925.db2.gz KIYHZZGOMMDBNR-UHFFFAOYSA-N 1 2 236.290 2.655 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000546035035 325261928 /nfs/dbraw/zinc/26/19/28/325261928.db2.gz KIYHZZGOMMDBNR-UHFFFAOYSA-N 1 2 236.290 2.655 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000610613361 358017622 /nfs/dbraw/zinc/01/76/22/358017622.db2.gz LWHGRNIOGRQQLY-LLVKDONJSA-N 1 2 227.311 2.902 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000610613361 358017624 /nfs/dbraw/zinc/01/76/24/358017624.db2.gz LWHGRNIOGRQQLY-LLVKDONJSA-N 1 2 227.311 2.902 20 30 BFEDLO C=C(C)CC[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000450710518 202241967 /nfs/dbraw/zinc/24/19/67/202241967.db2.gz GHULEZWNRDFFQM-UHFFFAOYSA-N 1 2 233.290 2.512 20 30 BFEDLO C=C(C)C[NH2+]C1(c2noc(CC)n2)CCCC1 ZINC000174237964 134279365 /nfs/dbraw/zinc/27/93/65/134279365.db2.gz RVHLCDBLJCRVLU-UHFFFAOYSA-N 1 2 235.331 2.567 20 30 BFEDLO CC[N@@H+](Cc1ccccc1F)C[C@H](C)C#N ZINC000042449731 358523496 /nfs/dbraw/zinc/52/34/96/358523496.db2.gz UHJARDFBIDNGEC-LLVKDONJSA-N 1 2 220.291 2.807 20 30 BFEDLO CC[N@H+](Cc1ccccc1F)C[C@H](C)C#N ZINC000042449731 358523499 /nfs/dbraw/zinc/52/34/99/358523499.db2.gz UHJARDFBIDNGEC-LLVKDONJSA-N 1 2 220.291 2.807 20 30 BFEDLO CC[N@@H+](Cc1ccccc1OC)C[C@@H](C)C#N ZINC000043457266 358538369 /nfs/dbraw/zinc/53/83/69/358538369.db2.gz RULUYKUFQDEQJL-LBPRGKRZSA-N 1 2 232.327 2.677 20 30 BFEDLO CC[N@H+](Cc1ccccc1OC)C[C@@H](C)C#N ZINC000043457266 358538370 /nfs/dbraw/zinc/53/83/70/358538370.db2.gz RULUYKUFQDEQJL-LBPRGKRZSA-N 1 2 232.327 2.677 20 30 BFEDLO C=CCC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000130252376 358615263 /nfs/dbraw/zinc/61/52/63/358615263.db2.gz BZQVUZSXMFYEIF-GXTWGEPZSA-N 1 2 247.338 2.845 20 30 BFEDLO C[C@H]([NH2+][C@@H](C#N)Cc1ccccc1)C1CCC1 ZINC000611113216 358747705 /nfs/dbraw/zinc/74/77/05/358747705.db2.gz RGRQCUZUOFXHHW-SWLSCSKDSA-N 1 2 228.339 2.899 20 30 BFEDLO C=C[C@H]([NH2+]CC[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000619701202 363626805 /nfs/dbraw/zinc/62/68/05/363626805.db2.gz ANVAQGVKFZPIRD-XQQFMLRXSA-N 1 2 239.359 2.520 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1nccc2ccccc21 ZINC000611260997 359276178 /nfs/dbraw/zinc/27/61/78/359276178.db2.gz ZLLJOSVLXBXVFW-GFCCVEGCSA-N 1 2 239.322 2.826 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1nccc2ccccc21 ZINC000611260997 359276183 /nfs/dbraw/zinc/27/61/83/359276183.db2.gz ZLLJOSVLXBXVFW-GFCCVEGCSA-N 1 2 239.322 2.826 20 30 BFEDLO CC[N@@H+](Cc1[nH]nc2ccccc21)C[C@@H](C)C#N ZINC000611261120 359276294 /nfs/dbraw/zinc/27/62/94/359276294.db2.gz UFUABLSWXVJBFX-NSHDSACASA-N 1 2 242.326 2.544 20 30 BFEDLO CC[N@H+](Cc1[nH]nc2ccccc21)C[C@@H](C)C#N ZINC000611261120 359276298 /nfs/dbraw/zinc/27/62/98/359276298.db2.gz UFUABLSWXVJBFX-NSHDSACASA-N 1 2 242.326 2.544 20 30 BFEDLO C[C@H]([NH2+]Cc1cocn1)c1ccc(C#N)cc1F ZINC000611589651 359400012 /nfs/dbraw/zinc/40/00/12/359400012.db2.gz QVOJWRJANHQITK-VIFPVBQESA-N 1 2 245.257 2.536 20 30 BFEDLO C[C@H](c1ccccn1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161512 359712914 /nfs/dbraw/zinc/71/29/14/359712914.db2.gz CJPPKDOCJSMZCL-TZMCWYRMSA-N 1 2 229.327 2.768 20 30 BFEDLO C[C@H](c1ccccn1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161512 359712919 /nfs/dbraw/zinc/71/29/19/359712919.db2.gz CJPPKDOCJSMZCL-TZMCWYRMSA-N 1 2 229.327 2.768 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000612167615 359716787 /nfs/dbraw/zinc/71/67/87/359716787.db2.gz RMFLUZQTVPVKEN-AWEZNQCLSA-N 1 2 232.302 2.951 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000612167615 359716790 /nfs/dbraw/zinc/71/67/90/359716790.db2.gz RMFLUZQTVPVKEN-AWEZNQCLSA-N 1 2 232.302 2.951 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](CCC(F)(F)F)C1 ZINC000612167592 359717109 /nfs/dbraw/zinc/71/71/09/359717109.db2.gz QQUHEOUPTGUWLS-SECBINFHSA-N 1 2 220.238 2.564 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](CCC(F)(F)F)C1 ZINC000612167592 359717113 /nfs/dbraw/zinc/71/71/13/359717113.db2.gz QQUHEOUPTGUWLS-SECBINFHSA-N 1 2 220.238 2.564 20 30 BFEDLO Cc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)nc1 ZINC000612164714 359719792 /nfs/dbraw/zinc/71/97/92/359719792.db2.gz HMDBGHINMQYBRS-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)nc1 ZINC000612164714 359719800 /nfs/dbraw/zinc/71/98/00/359719800.db2.gz HMDBGHINMQYBRS-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)nc1 ZINC000612164713 359720214 /nfs/dbraw/zinc/72/02/14/359720214.db2.gz HMDBGHINMQYBRS-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)nc1 ZINC000612164713 359720218 /nfs/dbraw/zinc/72/02/18/359720218.db2.gz HMDBGHINMQYBRS-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO CCc1ncc(C[N@@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000612406597 359833426 /nfs/dbraw/zinc/83/34/26/359833426.db2.gz QAXXVONTHPYCRB-CYBMUJFWSA-N 1 2 249.383 2.831 20 30 BFEDLO CCc1ncc(C[N@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000612406597 359833430 /nfs/dbraw/zinc/83/34/30/359833430.db2.gz QAXXVONTHPYCRB-CYBMUJFWSA-N 1 2 249.383 2.831 20 30 BFEDLO Cc1ncsc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406029 359834153 /nfs/dbraw/zinc/83/41/53/359834153.db2.gz GRFMQXPGHHPADR-GFCCVEGCSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1ncsc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406029 359834156 /nfs/dbraw/zinc/83/41/56/359834156.db2.gz GRFMQXPGHHPADR-GFCCVEGCSA-N 1 2 235.356 2.577 20 30 BFEDLO C=C[C@H]([NH2+]C1CCC(C(C)C)CC1)C(=O)OC ZINC000619703230 363696555 /nfs/dbraw/zinc/69/65/55/363696555.db2.gz IDQZJUNSSCOLCA-BPCQOVAHSA-N 1 2 239.359 2.518 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000067407248 370669306 /nfs/dbraw/zinc/66/93/06/370669306.db2.gz CFDJDBBICPVASY-VIFPVBQESA-N 1 2 237.372 2.832 20 30 BFEDLO CCc1nc(C)c(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000433312175 201178037 /nfs/dbraw/zinc/17/80/37/201178037.db2.gz PNOSCIZSWMPKLF-UHFFFAOYSA-N 1 2 235.331 2.527 20 30 BFEDLO CCc1nc(C)c(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000433312175 201178041 /nfs/dbraw/zinc/17/80/41/201178041.db2.gz PNOSCIZSWMPKLF-UHFFFAOYSA-N 1 2 235.331 2.527 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC=C(F)C1 ZINC000614403135 363807051 /nfs/dbraw/zinc/80/70/51/363807051.db2.gz HAYDMHAWDSIJSP-UHFFFAOYSA-N 1 2 230.286 2.926 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC=C(F)C1 ZINC000614403135 363807052 /nfs/dbraw/zinc/80/70/52/363807052.db2.gz HAYDMHAWDSIJSP-UHFFFAOYSA-N 1 2 230.286 2.926 20 30 BFEDLO CC1(C#N)C[NH+](CC2CCC(F)(F)CC2)C1 ZINC000574410187 365056480 /nfs/dbraw/zinc/05/64/80/365056480.db2.gz BFYHJJDRLGHEMS-UHFFFAOYSA-N 1 2 228.286 2.657 20 30 BFEDLO CC[N@H+](CC#N)C[C@H]1C(C)=CCC[C@H]1C ZINC000443415642 193021019 /nfs/dbraw/zinc/02/10/19/193021019.db2.gz GOQQNCSXPKSPQZ-OLZOCXBDSA-N 1 2 206.333 2.824 20 30 BFEDLO CC[N@@H+](CC#N)C[C@H]1C(C)=CCC[C@H]1C ZINC000443415642 193021021 /nfs/dbraw/zinc/02/10/21/193021021.db2.gz GOQQNCSXPKSPQZ-OLZOCXBDSA-N 1 2 206.333 2.824 20 30 BFEDLO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](CC#N)C1CC1 ZINC000443415524 193021320 /nfs/dbraw/zinc/02/13/20/193021320.db2.gz LCHZYUXAHFHJIE-TZMCWYRMSA-N 1 2 218.344 2.967 20 30 BFEDLO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](CC#N)C1CC1 ZINC000443415524 193021321 /nfs/dbraw/zinc/02/13/21/193021321.db2.gz LCHZYUXAHFHJIE-TZMCWYRMSA-N 1 2 218.344 2.967 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1nc2ccccc2s1 ZINC000068481699 370808260 /nfs/dbraw/zinc/80/82/60/370808260.db2.gz LJAYXMBNNYXZMD-VIFPVBQESA-N 1 2 231.324 2.688 20 30 BFEDLO N#CCC[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000575740637 365348214 /nfs/dbraw/zinc/34/82/14/365348214.db2.gz FDAAOOWIDDJMOH-KBPBESRZSA-N 1 2 248.301 2.549 20 30 BFEDLO C=CCC(C)(C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000575805367 365369798 /nfs/dbraw/zinc/36/97/98/365369798.db2.gz KRWMBQWUISYWEL-LBPRGKRZSA-N 1 2 249.358 2.553 20 30 BFEDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC000581020316 367238434 /nfs/dbraw/zinc/23/84/34/367238434.db2.gz WJROXJJEGYUQRQ-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cn1)C2 ZINC000581020316 367238439 /nfs/dbraw/zinc/23/84/39/367238439.db2.gz WJROXJJEGYUQRQ-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO C[C@H](C#N)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381892468 367468021 /nfs/dbraw/zinc/46/80/21/367468021.db2.gz LMSZDAFHNFFLGO-KRDKVTMHSA-N 1 2 206.333 2.703 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000615507200 368082563 /nfs/dbraw/zinc/08/25/63/368082563.db2.gz VUYKWVPBHZHOCV-CQSZACIVSA-N 1 2 230.311 2.518 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000615507200 368082566 /nfs/dbraw/zinc/08/25/66/368082566.db2.gz VUYKWVPBHZHOCV-CQSZACIVSA-N 1 2 230.311 2.518 20 30 BFEDLO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615639095 368182436 /nfs/dbraw/zinc/18/24/36/368182436.db2.gz RPFVTOQLVLBPKD-ZFWWWQNUSA-N 1 2 246.329 2.945 20 30 BFEDLO C[C@@H](CCc1ccccc1)[N@H+]1CC[C@](F)(C#N)C1 ZINC000615639095 368182442 /nfs/dbraw/zinc/18/24/42/368182442.db2.gz RPFVTOQLVLBPKD-ZFWWWQNUSA-N 1 2 246.329 2.945 20 30 BFEDLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615649765 368191735 /nfs/dbraw/zinc/19/17/35/368191735.db2.gz CJERIDPPSHPQCP-AGIUHOORSA-N 1 2 224.323 2.750 20 30 BFEDLO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@](F)(C#N)C1 ZINC000615649765 368191740 /nfs/dbraw/zinc/19/17/40/368191740.db2.gz CJERIDPPSHPQCP-AGIUHOORSA-N 1 2 224.323 2.750 20 30 BFEDLO CC(C)(C)c1cnc(C[NH+]2CCC(C#N)CC2)o1 ZINC000057875923 368502306 /nfs/dbraw/zinc/50/23/06/368502306.db2.gz KXMIZGNWWSKWCX-UHFFFAOYSA-N 1 2 247.342 2.708 20 30 BFEDLO CCCOc1cc(O)ccc1[NH2+]CCC#N ZINC000567228957 326147018 /nfs/dbraw/zinc/14/70/18/326147018.db2.gz IZCLULRJDCOYNA-UHFFFAOYSA-N 1 2 220.272 2.507 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc2ccccc2[nH]1 ZINC000619069248 369271560 /nfs/dbraw/zinc/27/15/60/369271560.db2.gz HZKCFVMOTOBSAV-UHFFFAOYSA-N 1 2 227.311 2.903 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc2ccccc2[nH]1 ZINC000619069248 369271563 /nfs/dbraw/zinc/27/15/63/369271563.db2.gz HZKCFVMOTOBSAV-UHFFFAOYSA-N 1 2 227.311 2.903 20 30 BFEDLO Cc1nc(C(C)C)oc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459452279 203284285 /nfs/dbraw/zinc/28/42/85/203284285.db2.gz BGEULBCYSINWGN-NEPJUHHUSA-N 1 2 247.342 2.888 20 30 BFEDLO CC[N@H+](CCC#N)CCc1c(F)cccc1F ZINC000402845791 369392672 /nfs/dbraw/zinc/39/26/72/369392672.db2.gz ZIWYTBWCMXFRAR-UHFFFAOYSA-N 1 2 238.281 2.743 20 30 BFEDLO CC[N@@H+](CCC#N)CCc1c(F)cccc1F ZINC000402845791 369392678 /nfs/dbraw/zinc/39/26/78/369392678.db2.gz ZIWYTBWCMXFRAR-UHFFFAOYSA-N 1 2 238.281 2.743 20 30 BFEDLO Cc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000259954146 370959244 /nfs/dbraw/zinc/95/92/44/370959244.db2.gz IZQKRPYPQLUPKA-LLVKDONJSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000259954146 370959247 /nfs/dbraw/zinc/95/92/47/370959247.db2.gz IZQKRPYPQLUPKA-LLVKDONJSA-N 1 2 235.356 2.577 20 30 BFEDLO N#CC1(CNc2cc[nH+]c3c(O)cccc23)CC1 ZINC000619528156 369462576 /nfs/dbraw/zinc/46/25/76/369462576.db2.gz ZEUHFBQOMKRGSJ-UHFFFAOYSA-N 1 2 239.278 2.656 20 30 BFEDLO C=C[C@@H]([NH2+]CCCC1CCCCC1)C(=O)OC ZINC000619700397 369534755 /nfs/dbraw/zinc/53/47/55/369534755.db2.gz VSGVNAUQHXWVNA-CYBMUJFWSA-N 1 2 239.359 2.664 20 30 BFEDLO N#Cc1c(F)cccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000602689028 369839750 /nfs/dbraw/zinc/83/97/50/369839750.db2.gz PDBXKYQEVAPRBQ-UHFFFAOYSA-N 1 2 248.276 2.631 20 30 BFEDLO CCC(C#N)(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000094666171 369897476 /nfs/dbraw/zinc/89/74/76/369897476.db2.gz XJFRKEDHBRAMNP-UHFFFAOYSA-N 1 2 245.326 2.967 20 30 BFEDLO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(F)F ZINC000603430663 369965875 /nfs/dbraw/zinc/96/58/75/369965875.db2.gz UJMQIBFNDTWCHH-UFBFGSQYSA-N 1 2 236.265 2.789 20 30 BFEDLO COc1ccc(Cl)cc1C[NH2+][C@H](C)CC#N ZINC000309906476 370275042 /nfs/dbraw/zinc/27/50/42/370275042.db2.gz KKQXGGMCVZINJZ-SECBINFHSA-N 1 2 238.718 2.740 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC000569221132 326395737 /nfs/dbraw/zinc/39/57/37/326395737.db2.gz YMNGEFAEDUNFQZ-NSHDSACASA-N 1 2 220.316 2.778 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC000569221132 326395738 /nfs/dbraw/zinc/39/57/38/326395738.db2.gz YMNGEFAEDUNFQZ-NSHDSACASA-N 1 2 220.316 2.778 20 30 BFEDLO C=CC[C@@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000624393391 371497968 /nfs/dbraw/zinc/49/79/68/371497968.db2.gz XBRYNVVQPSXBBF-GFCCVEGCSA-N 1 2 232.327 2.883 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCSC1 ZINC000280668148 183300292 /nfs/dbraw/zinc/30/02/92/183300292.db2.gz PEOBUPDMGPELFV-SEEODLKFSA-N 1 2 221.325 2.564 20 30 BFEDLO CC[C@H](C)C[N@H+](CCC#N)Cc1cccnc1 ZINC000088537498 383908339 /nfs/dbraw/zinc/90/83/39/383908339.db2.gz KODBQBTZASWFJW-ZDUSSCGKSA-N 1 2 231.343 2.843 20 30 BFEDLO CC[C@H](C)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000088537498 383908345 /nfs/dbraw/zinc/90/83/45/383908345.db2.gz KODBQBTZASWFJW-ZDUSSCGKSA-N 1 2 231.343 2.843 20 30 BFEDLO C=CC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000116873538 383933876 /nfs/dbraw/zinc/93/38/76/383933876.db2.gz XGJLBLVBRPENJE-VIFPVBQESA-N 1 2 203.289 2.731 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)ccc1F ZINC000054183375 134387347 /nfs/dbraw/zinc/38/73/47/134387347.db2.gz XLFDNTSVWJEXML-NSHDSACASA-N 1 2 224.254 2.747 20 30 BFEDLO Cc1ccc(C[N@H+](C)CCC#N)cc1C ZINC000049668742 384006822 /nfs/dbraw/zinc/00/68/22/384006822.db2.gz OJIQFRQLQCQWHI-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO Cc1ccc(C[N@@H+](C)CCC#N)cc1C ZINC000049668742 384006829 /nfs/dbraw/zinc/00/68/29/384006829.db2.gz OJIQFRQLQCQWHI-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO C[N@@H+](CCC#N)CCSc1ccccc1 ZINC000080624631 384170054 /nfs/dbraw/zinc/17/00/54/384170054.db2.gz SCMHOGNSBCHVPH-UHFFFAOYSA-N 1 2 220.341 2.624 20 30 BFEDLO C[N@H+](CCC#N)CCSc1ccccc1 ZINC000080624631 384170059 /nfs/dbraw/zinc/17/00/59/384170059.db2.gz SCMHOGNSBCHVPH-UHFFFAOYSA-N 1 2 220.341 2.624 20 30 BFEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1C#N ZINC000336307926 384206902 /nfs/dbraw/zinc/20/69/02/384206902.db2.gz YBDBCORJANZTOE-UHFFFAOYSA-N 1 2 246.701 2.571 20 30 BFEDLO Cn1c[nH+]cc1CSc1ccccc1C#N ZINC000336457157 384230057 /nfs/dbraw/zinc/23/00/57/384230057.db2.gz JYADOLUPBOFOEI-UHFFFAOYSA-N 1 2 229.308 2.584 20 30 BFEDLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000093090432 384209512 /nfs/dbraw/zinc/20/95/12/384209512.db2.gz ZKQPOBSCKCSKMQ-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000093090432 384209521 /nfs/dbraw/zinc/20/95/21/384209521.db2.gz ZKQPOBSCKCSKMQ-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO N#Cc1c(F)cccc1COc1cc[nH+]cc1 ZINC000335227746 384253382 /nfs/dbraw/zinc/25/33/82/384253382.db2.gz DQZPUKDYHWMPAI-UHFFFAOYSA-N 1 2 228.226 2.671 20 30 BFEDLO CCC1(C[NH2+][C@H](C)c2cccc(C#N)c2)COC1 ZINC000393957429 384290016 /nfs/dbraw/zinc/29/00/16/384290016.db2.gz IQKRKRUQQIPZOQ-GFCCVEGCSA-N 1 2 244.338 2.635 20 30 BFEDLO C=CC[N@@H+](Cc1nccn1C)Cc1ccccc1 ZINC000299626142 384303633 /nfs/dbraw/zinc/30/36/33/384303633.db2.gz RTAWYKBIIDMYPV-UHFFFAOYSA-N 1 2 241.338 2.608 20 30 BFEDLO C=CC[N@H+](Cc1nccn1C)Cc1ccccc1 ZINC000299626142 384303639 /nfs/dbraw/zinc/30/36/39/384303639.db2.gz RTAWYKBIIDMYPV-UHFFFAOYSA-N 1 2 241.338 2.608 20 30 BFEDLO C=CCN(Cc1[nH+]ccn1C)Cc1ccccc1 ZINC000299626142 384303645 /nfs/dbraw/zinc/30/36/45/384303645.db2.gz RTAWYKBIIDMYPV-UHFFFAOYSA-N 1 2 241.338 2.608 20 30 BFEDLO C[C@@]1(F)CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000335876710 384383281 /nfs/dbraw/zinc/38/32/81/384383281.db2.gz FHRKYLJHEGCAMQ-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000335876710 384383289 /nfs/dbraw/zinc/38/32/89/384383289.db2.gz FHRKYLJHEGCAMQ-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C=CCCCCC[N@@H+](C)Cc1noc(C)n1 ZINC000150898467 384512429 /nfs/dbraw/zinc/51/24/29/384512429.db2.gz NUSVKLCVUXLPGC-UHFFFAOYSA-N 1 2 223.320 2.556 20 30 BFEDLO C=CCCCCC[N@H+](C)Cc1noc(C)n1 ZINC000150898467 384512435 /nfs/dbraw/zinc/51/24/35/384512435.db2.gz NUSVKLCVUXLPGC-UHFFFAOYSA-N 1 2 223.320 2.556 20 30 BFEDLO C[C@@H](c1ccccc1F)[N@H+](C)CCC#N ZINC000051407426 384512831 /nfs/dbraw/zinc/51/28/31/384512831.db2.gz ZZFRYTFTTFKWNN-JTQLQIEISA-N 1 2 206.264 2.732 20 30 BFEDLO C[C@@H](c1ccccc1F)[N@@H+](C)CCC#N ZINC000051407426 384512837 /nfs/dbraw/zinc/51/28/37/384512837.db2.gz ZZFRYTFTTFKWNN-JTQLQIEISA-N 1 2 206.264 2.732 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CC=CCC1 ZINC000172402041 384583300 /nfs/dbraw/zinc/58/33/00/384583300.db2.gz SARTUEBBGDHNMX-HLVNSREUSA-N 1 2 201.269 2.920 20 30 BFEDLO C[N@H+](Cc1cscn1)Cc1cccc(C#N)c1 ZINC000046518299 384667950 /nfs/dbraw/zinc/66/79/50/384667950.db2.gz ULRVKOYKLSDVCO-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C[N@@H+](Cc1cscn1)Cc1cccc(C#N)c1 ZINC000046518299 384667963 /nfs/dbraw/zinc/66/79/63/384667963.db2.gz ULRVKOYKLSDVCO-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C[C@H](c1ccc(F)cc1)[N@H+](C)CCC#N ZINC000052869784 384711479 /nfs/dbraw/zinc/71/14/79/384711479.db2.gz DYJOVOCJJSOUQP-SNVBAGLBSA-N 1 2 206.264 2.732 20 30 BFEDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCC#N ZINC000052869784 384711487 /nfs/dbraw/zinc/71/14/87/384711487.db2.gz DYJOVOCJJSOUQP-SNVBAGLBSA-N 1 2 206.264 2.732 20 30 BFEDLO Cc1c[nH+]cc(NCc2cc(C#N)cs2)c1 ZINC000119603370 384742422 /nfs/dbraw/zinc/74/24/22/384742422.db2.gz BSVVUDFOLRJJPI-UHFFFAOYSA-N 1 2 229.308 2.935 20 30 BFEDLO CC(C)Oc1cccc(C[N@H+](C)CCC#N)c1 ZINC000083225762 384756286 /nfs/dbraw/zinc/75/62/86/384756286.db2.gz ZIJXAPWLWAPNOC-UHFFFAOYSA-N 1 2 232.327 2.819 20 30 BFEDLO CC(C)Oc1cccc(C[N@@H+](C)CCC#N)c1 ZINC000083225762 384756289 /nfs/dbraw/zinc/75/62/89/384756289.db2.gz ZIJXAPWLWAPNOC-UHFFFAOYSA-N 1 2 232.327 2.819 20 30 BFEDLO CN(C)c1ccc(NCC(C)(C)CCC#N)[nH+]c1 ZINC000150897119 385072415 /nfs/dbraw/zinc/07/24/15/385072415.db2.gz FYXXUWMDPIARSL-UHFFFAOYSA-N 1 2 246.358 2.889 20 30 BFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccncc1 ZINC000130758420 385282578 /nfs/dbraw/zinc/28/25/78/385282578.db2.gz OEVFYUITNRULHX-UHFFFAOYSA-N 1 2 231.343 2.843 20 30 BFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccncc1 ZINC000130758420 385282585 /nfs/dbraw/zinc/28/25/85/385282585.db2.gz OEVFYUITNRULHX-UHFFFAOYSA-N 1 2 231.343 2.843 20 30 BFEDLO C=CC[N@@H+](C)Cc1c(Cl)cccc1OC ZINC000154773320 385299173 /nfs/dbraw/zinc/29/91/73/385299173.db2.gz YYUTVKUXWNOTIF-UHFFFAOYSA-N 1 2 225.719 2.966 20 30 BFEDLO C=CC[N@H+](C)Cc1c(Cl)cccc1OC ZINC000154773320 385299181 /nfs/dbraw/zinc/29/91/81/385299181.db2.gz YYUTVKUXWNOTIF-UHFFFAOYSA-N 1 2 225.719 2.966 20 30 BFEDLO C[C@H]([NH2+]CCC#N)c1c(F)cccc1F ZINC000020199573 385421902 /nfs/dbraw/zinc/42/19/02/385421902.db2.gz KIJMGXWZOGICHC-QMMMGPOBSA-N 1 2 210.227 2.529 20 30 BFEDLO CCOc1ccc(O)c(/C=[NH+]/CCCCC#N)c1 ZINC000171417226 385483128 /nfs/dbraw/zinc/48/31/28/385483128.db2.gz BYWHSIOBXFAEJL-LFIBNONCSA-N 1 2 246.310 2.904 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1cc2ccccc2o1 ZINC000054179709 385597770 /nfs/dbraw/zinc/59/77/70/385597770.db2.gz QUOGIPKUZRMDMF-JTQLQIEISA-N 1 2 214.268 2.682 20 30 BFEDLO C#CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000368836339 533145079 /nfs/dbraw/zinc/14/50/79/533145079.db2.gz XLEJNDOPHTWSFQ-UHFFFAOYSA-N 1 2 233.261 2.687 20 30 BFEDLO C#CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000368836339 533145084 /nfs/dbraw/zinc/14/50/84/533145084.db2.gz XLEJNDOPHTWSFQ-UHFFFAOYSA-N 1 2 233.261 2.687 20 30 BFEDLO C#C[C@@H](CC)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000390785701 385901544 /nfs/dbraw/zinc/90/15/44/385901544.db2.gz OVWPKZAEFVYDKV-ZETCQYMHSA-N 1 2 248.273 2.663 20 30 BFEDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(F)cc1C#N ZINC000334495093 386373508 /nfs/dbraw/zinc/37/35/08/386373508.db2.gz BXMZUWMMRWISFV-NXEZZACHSA-N 1 2 218.275 2.680 20 30 BFEDLO C=CCCCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000286858320 386522045 /nfs/dbraw/zinc/52/20/45/386522045.db2.gz BVNYFPVRSCAVDB-UHFFFAOYSA-N 1 2 235.331 2.584 20 30 BFEDLO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CC#N)C2)cc1 ZINC000278410874 386524061 /nfs/dbraw/zinc/52/40/61/386524061.db2.gz HMTRLYOJJJDNJS-JSGCOSHPSA-N 1 2 214.312 2.696 20 30 BFEDLO Cc1ccc([C@H]2C[C@H](C)[N@H+](CC#N)C2)cc1 ZINC000278410874 386524066 /nfs/dbraw/zinc/52/40/66/386524066.db2.gz HMTRLYOJJJDNJS-JSGCOSHPSA-N 1 2 214.312 2.696 20 30 BFEDLO Cc1[nH]c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c[nH+]1 ZINC000328785031 386627157 /nfs/dbraw/zinc/62/71/57/386627157.db2.gz OEBJCAHXFVNXJN-SDDRHHMPSA-N 1 2 247.342 2.992 20 30 BFEDLO COc1ccc(C[NH2+]CC2(C#N)CCC2)c(F)c1 ZINC000520238494 386616617 /nfs/dbraw/zinc/61/66/17/386616617.db2.gz LUPAWBHMBBZPHD-UHFFFAOYSA-N 1 2 248.301 2.618 20 30 BFEDLO Cc1cc(NC[C@H]2CC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399532205 386977252 /nfs/dbraw/zinc/97/72/52/386977252.db2.gz VCUYDPBCLDRYMI-JQWIXIFHSA-N 1 2 229.327 2.532 20 30 BFEDLO Cc1cc(NCCCC(C)(F)F)c(C#N)c[nH+]1 ZINC000399612689 387039991 /nfs/dbraw/zinc/03/99/91/387039991.db2.gz YMFAFTJBKWDSIU-UHFFFAOYSA-N 1 2 239.269 2.531 20 30 BFEDLO CC[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000399617883 387041917 /nfs/dbraw/zinc/04/19/17/387041917.db2.gz YBMMJYODGKNRTH-ONGXEEELSA-N 1 2 217.316 2.530 20 30 BFEDLO C=C(C)CN(C)c1cc[nH+]c2ccncc21 ZINC000334939940 387016417 /nfs/dbraw/zinc/01/64/17/387016417.db2.gz SJCHCCKBYXWJAE-UHFFFAOYSA-N 1 2 213.284 2.642 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000515310836 387359205 /nfs/dbraw/zinc/35/92/05/387359205.db2.gz XOSXOZLTNOBHGE-AWEZNQCLSA-N 1 2 246.741 2.973 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cc(F)c(F)cc1F ZINC000271145656 387440929 /nfs/dbraw/zinc/44/09/29/387440929.db2.gz RHIUKCKGWPCINZ-UHFFFAOYSA-N 1 2 227.229 2.559 20 30 BFEDLO C#CC[N@H+](CC)Cc1cc(F)c(F)cc1F ZINC000271145656 387440934 /nfs/dbraw/zinc/44/09/34/387440934.db2.gz RHIUKCKGWPCINZ-UHFFFAOYSA-N 1 2 227.229 2.559 20 30 BFEDLO C#CCCCCC(=O)Nc1cc[nH+]cc1CC ZINC000271422609 387443721 /nfs/dbraw/zinc/44/37/21/387443721.db2.gz MLHMNNZDUNBISD-UHFFFAOYSA-N 1 2 230.311 2.776 20 30 BFEDLO C#CC[N@@H+](CC)Cc1coc(-c2cccs2)n1 ZINC000266890112 387404352 /nfs/dbraw/zinc/40/43/52/387404352.db2.gz CJCRMBJWQGLKHM-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C#CC[N@H+](CC)Cc1coc(-c2cccs2)n1 ZINC000266890112 387404356 /nfs/dbraw/zinc/40/43/56/387404356.db2.gz CJCRMBJWQGLKHM-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C#CCCCCNc1cc[nH+]c2ccncc12 ZINC000268190622 387413920 /nfs/dbraw/zinc/41/39/20/387413920.db2.gz MLWNTZKAYWDZOH-UHFFFAOYSA-N 1 2 225.295 2.845 20 30 BFEDLO Cc1ccc2[nH+]ccc(NCC3(C#N)CC3)c2c1 ZINC000515735345 387418591 /nfs/dbraw/zinc/41/85/91/387418591.db2.gz XPGOLAHWLVISHX-UHFFFAOYSA-N 1 2 237.306 2.681 20 30 BFEDLO CC(C)(C)C[N@H+](CCC#N)CC1(F)CC1 ZINC000527220291 387535295 /nfs/dbraw/zinc/53/52/95/387535295.db2.gz DFXIDUXYZGLTQP-UHFFFAOYSA-N 1 2 212.312 2.750 20 30 BFEDLO CC(C)(C)C[N@@H+](CCC#N)CC1(F)CC1 ZINC000527220291 387535298 /nfs/dbraw/zinc/53/52/98/387535298.db2.gz DFXIDUXYZGLTQP-UHFFFAOYSA-N 1 2 212.312 2.750 20 30 BFEDLO CCCc1csc(C[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000426356924 387558651 /nfs/dbraw/zinc/55/86/51/387558651.db2.gz NOEFRLAOSIANTO-CMPLNLGQSA-N 1 2 249.383 2.877 20 30 BFEDLO C=CCC(C)(C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000432172550 387768756 /nfs/dbraw/zinc/76/87/56/387768756.db2.gz OSHUXBKGJAYGHP-UHFFFAOYSA-N 1 2 244.342 2.702 20 30 BFEDLO CC(C)OCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444725388 387916893 /nfs/dbraw/zinc/91/68/93/387916893.db2.gz GQSLKVSCINNQQQ-ZDUSSCGKSA-N 1 2 238.375 2.816 20 30 BFEDLO CC(C)OCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444725388 387916899 /nfs/dbraw/zinc/91/68/99/387916899.db2.gz GQSLKVSCINNQQQ-ZDUSSCGKSA-N 1 2 238.375 2.816 20 30 BFEDLO C[C@H](C#N)C[N@@H+](CCC(F)(F)F)C1CC1 ZINC000338353848 135035277 /nfs/dbraw/zinc/03/52/77/135035277.db2.gz PUDXFRGTOMUUMX-MRVPVSSYSA-N 1 2 220.238 2.563 20 30 BFEDLO C=CCc1ccccc1OCc1c[nH+]cn1C ZINC000439551709 388009573 /nfs/dbraw/zinc/00/95/73/388009573.db2.gz PBDMRKWQEHAEFJ-UHFFFAOYSA-N 1 2 228.295 2.728 20 30 BFEDLO CC[C@@H]1CCC[C@H](C[N@@H+](CC#N)CCOC)C1 ZINC000453594732 388088808 /nfs/dbraw/zinc/08/88/08/388088808.db2.gz FPYNQGYRCCEBPG-KGLIPLIRSA-N 1 2 238.375 2.675 20 30 BFEDLO CC[C@@H]1CCC[C@H](C[N@H+](CC#N)CCOC)C1 ZINC000453594732 388088811 /nfs/dbraw/zinc/08/88/11/388088811.db2.gz FPYNQGYRCCEBPG-KGLIPLIRSA-N 1 2 238.375 2.675 20 30 BFEDLO COc1cc(C)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000449013405 388129634 /nfs/dbraw/zinc/12/96/34/388129634.db2.gz CKRGWMVWZPICJJ-GFCCVEGCSA-N 1 2 232.327 2.595 20 30 BFEDLO COc1cc(C)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000449013405 388129635 /nfs/dbraw/zinc/12/96/35/388129635.db2.gz CKRGWMVWZPICJJ-GFCCVEGCSA-N 1 2 232.327 2.595 20 30 BFEDLO C#CC[N@@H+](CC)Cc1nc2ccccc2n1CC ZINC000490891575 388258319 /nfs/dbraw/zinc/25/83/19/388258319.db2.gz GFIIJQFNRCIPDI-UHFFFAOYSA-N 1 2 241.338 2.511 20 30 BFEDLO C#CC[N@H+](CC)Cc1nc2ccccc2n1CC ZINC000490891575 388258322 /nfs/dbraw/zinc/25/83/22/388258322.db2.gz GFIIJQFNRCIPDI-UHFFFAOYSA-N 1 2 241.338 2.511 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456337679 388195874 /nfs/dbraw/zinc/19/58/74/388195874.db2.gz BHRFZWINMILLCU-RISCZKNCSA-N 1 2 249.358 2.683 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000491439996 388294686 /nfs/dbraw/zinc/29/46/86/388294686.db2.gz MPFQKJJEKSQMAE-LBPRGKRZSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000491439996 388294688 /nfs/dbraw/zinc/29/46/88/388294688.db2.gz MPFQKJJEKSQMAE-LBPRGKRZSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cn1ccn(C(C)C)c1=S ZINC000491699081 388312300 /nfs/dbraw/zinc/31/23/00/388312300.db2.gz IIUZZWQLESHMIL-NSHDSACASA-N 1 2 237.372 2.511 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cn1ccn(C(C)C)c1=S ZINC000491699081 388312301 /nfs/dbraw/zinc/31/23/01/388312301.db2.gz IIUZZWQLESHMIL-NSHDSACASA-N 1 2 237.372 2.511 20 30 BFEDLO C#CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000491724327 388314820 /nfs/dbraw/zinc/31/48/20/388314820.db2.gz FQYNUZUHHDBTJX-AWEZNQCLSA-N 1 2 239.322 2.723 20 30 BFEDLO C#CC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000491724327 388314821 /nfs/dbraw/zinc/31/48/21/388314821.db2.gz FQYNUZUHHDBTJX-AWEZNQCLSA-N 1 2 239.322 2.723 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000491191118 388273522 /nfs/dbraw/zinc/27/35/22/388273522.db2.gz AGFBUWWJXCDARJ-QMMMGPOBSA-N 1 2 243.137 2.842 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000491191118 388273524 /nfs/dbraw/zinc/27/35/24/388273524.db2.gz AGFBUWWJXCDARJ-QMMMGPOBSA-N 1 2 243.137 2.842 20 30 BFEDLO N#CC1(C[N@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000572783558 388375916 /nfs/dbraw/zinc/37/59/16/388375916.db2.gz VJJPECCCYVJJPW-OAHLLOKOSA-N 1 2 244.313 2.861 20 30 BFEDLO N#CC1(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000572783558 388375920 /nfs/dbraw/zinc/37/59/20/388375920.db2.gz VJJPECCCYVJJPW-OAHLLOKOSA-N 1 2 244.313 2.861 20 30 BFEDLO Cc1ccncc1C[N@@H+](CCC#N)C(C)C ZINC000525976956 388440043 /nfs/dbraw/zinc/44/00/43/388440043.db2.gz OFVKNRFGARWIGF-UHFFFAOYSA-N 1 2 217.316 2.514 20 30 BFEDLO Cc1ccncc1C[N@H+](CCC#N)C(C)C ZINC000525976956 388440044 /nfs/dbraw/zinc/44/00/44/388440044.db2.gz OFVKNRFGARWIGF-UHFFFAOYSA-N 1 2 217.316 2.514 20 30 BFEDLO C[N@H+](Cc1nccs1)Cc1ccc(C#N)cc1 ZINC000175065217 388445548 /nfs/dbraw/zinc/44/55/48/388445548.db2.gz SGNKJLBINYJGHZ-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C[N@@H+](Cc1nccs1)Cc1ccc(C#N)cc1 ZINC000175065217 388445549 /nfs/dbraw/zinc/44/55/49/388445549.db2.gz SGNKJLBINYJGHZ-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C#CC[N@H+](Cc1cscn1)C1CCCC1 ZINC000176920415 388466521 /nfs/dbraw/zinc/46/65/21/388466521.db2.gz VMOLBYBDSQYZMD-UHFFFAOYSA-N 1 2 220.341 2.521 20 30 BFEDLO C#CC[N@@H+](Cc1cscn1)C1CCCC1 ZINC000176920415 388466524 /nfs/dbraw/zinc/46/65/24/388466524.db2.gz VMOLBYBDSQYZMD-UHFFFAOYSA-N 1 2 220.341 2.521 20 30 BFEDLO CC(C)[N@H+](CCCSCC#N)CC(F)F ZINC000135415785 388493655 /nfs/dbraw/zinc/49/36/55/388493655.db2.gz PWSMJECNTWWKNN-UHFFFAOYSA-N 1 2 236.331 2.609 20 30 BFEDLO CC(C)[N@@H+](CCCSCC#N)CC(F)F ZINC000135415785 388493658 /nfs/dbraw/zinc/49/36/58/388493658.db2.gz PWSMJECNTWWKNN-UHFFFAOYSA-N 1 2 236.331 2.609 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1ccccn1 ZINC000245730270 388601498 /nfs/dbraw/zinc/60/14/98/388601498.db2.gz CDBOQQWWBPHUAZ-VXGBXAGGSA-N 1 2 217.316 2.624 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1ccccn1 ZINC000245730270 388601500 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ZINC000093091560 410100038 /nfs/dbraw/zinc/10/00/38/410100038.db2.gz VZECRULOEDVAPT-UHFFFAOYSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1ncsc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091560 410100045 /nfs/dbraw/zinc/10/00/45/410100045.db2.gz VZECRULOEDVAPT-UHFFFAOYSA-N 1 2 235.356 2.577 20 30 BFEDLO C=CCC[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000265799998 166266201 /nfs/dbraw/zinc/26/62/01/166266201.db2.gz BPXOZLXDSQVCLJ-CQSZACIVSA-N 1 2 233.311 2.842 20 30 BFEDLO C=CCN(Cc1[nH]cc[nH+]1)Cc1ccccc1F ZINC000109832833 166348418 /nfs/dbraw/zinc/34/84/18/166348418.db2.gz KCGOUDREQDROQW-UHFFFAOYSA-N 1 2 245.301 2.737 20 30 BFEDLO C=CCC[C@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068284 411105571 /nfs/dbraw/zinc/10/55/71/411105571.db2.gz XWPOEDRSGYCLDN-NSHDSACASA-N 1 2 220.316 2.995 20 30 BFEDLO C=CCCCCNc1nc[nH+]c(C)c1OC ZINC000656163274 411189823 /nfs/dbraw/zinc/18/98/23/411189823.db2.gz TWSSXVOECYIQTM-UHFFFAOYSA-N 1 2 221.304 2.562 20 30 BFEDLO C=CCC(C)(C)CNc1nc[nH+]c(C)c1OC ZINC000656191574 411197210 /nfs/dbraw/zinc/19/72/10/411197210.db2.gz NLFQEZOSKFYHHV-UHFFFAOYSA-N 1 2 235.331 2.808 20 30 BFEDLO C=CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC000654070542 411327847 /nfs/dbraw/zinc/32/78/47/411327847.db2.gz SQVJLUZZGHLXIC-UHFFFAOYSA-N 1 2 249.358 2.526 20 30 BFEDLO CC[N@@H+](CC#N)CCCc1cccc(C)c1 ZINC000272390933 411433521 /nfs/dbraw/zinc/43/35/21/411433521.db2.gz ZKNZNGDIMRJCBD-UHFFFAOYSA-N 1 2 216.328 2.773 20 30 BFEDLO CC[N@H+](CC#N)CCCc1cccc(C)c1 ZINC000272390933 411433522 /nfs/dbraw/zinc/43/35/22/411433522.db2.gz ZKNZNGDIMRJCBD-UHFFFAOYSA-N 1 2 216.328 2.773 20 30 BFEDLO C=CC[N@@H+](Cc1noc(C(C)C)n1)C(C)(C)C ZINC000661755112 411867270 /nfs/dbraw/zinc/86/72/70/411867270.db2.gz KDPJKNFPSPITHQ-UHFFFAOYSA-N 1 2 237.347 2.980 20 30 BFEDLO C=CC[N@H+](Cc1noc(C(C)C)n1)C(C)(C)C ZINC000661755112 411867273 /nfs/dbraw/zinc/86/72/73/411867273.db2.gz KDPJKNFPSPITHQ-UHFFFAOYSA-N 1 2 237.347 2.980 20 30 BFEDLO C=CC[N@@H+](Cc1noc(CCC)n1)C(C)(C)C ZINC000661755111 411867399 /nfs/dbraw/zinc/86/73/99/411867399.db2.gz KDFIOUNTQFIIKO-UHFFFAOYSA-N 1 2 237.347 2.809 20 30 BFEDLO C=CC[N@H+](Cc1noc(CCC)n1)C(C)(C)C ZINC000661755111 411867403 /nfs/dbraw/zinc/86/74/03/411867403.db2.gz KDFIOUNTQFIIKO-UHFFFAOYSA-N 1 2 237.347 2.809 20 30 BFEDLO CC#CCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661736264 411860417 /nfs/dbraw/zinc/86/04/17/411860417.db2.gz MSKSNCPBHVIQTM-HNNXBMFYSA-N 1 2 247.313 2.612 20 30 BFEDLO CC#CCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661736264 411860420 /nfs/dbraw/zinc/86/04/20/411860420.db2.gz MSKSNCPBHVIQTM-HNNXBMFYSA-N 1 2 247.313 2.612 20 30 BFEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1ccccc1 ZINC000276750823 171107575 /nfs/dbraw/zinc/10/75/75/171107575.db2.gz FPOABDBYNUKKNC-GOEBONIOSA-N 1 2 243.350 2.537 20 30 BFEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC#Cc1ccccc1 ZINC000276750823 171107578 /nfs/dbraw/zinc/10/75/78/171107578.db2.gz FPOABDBYNUKKNC-GOEBONIOSA-N 1 2 243.350 2.537 20 30 BFEDLO COc1ccccc1C[N@H+](CCC#N)C1CC1 ZINC000042248204 175326332 /nfs/dbraw/zinc/32/63/32/175326332.db2.gz CUEDSISGLMYRIN-UHFFFAOYSA-N 1 2 230.311 2.573 20 30 BFEDLO COc1ccccc1C[N@@H+](CCC#N)C1CC1 ZINC000042248204 175326334 /nfs/dbraw/zinc/32/63/34/175326334.db2.gz CUEDSISGLMYRIN-UHFFFAOYSA-N 1 2 230.311 2.573 20 30 BFEDLO COc1cc[nH+]cc1NCc1ccc(C#N)s1 ZINC000119172935 175376094 /nfs/dbraw/zinc/37/60/94/175376094.db2.gz FHQBVCIXBVVQFP-UHFFFAOYSA-N 1 2 245.307 2.635 20 30 BFEDLO C[C@@H]1CCC[N@@H+]1[C@@H](C#N)c1ccccc1 ZINC000075601708 176110453 /nfs/dbraw/zinc/11/04/53/176110453.db2.gz VTUOHTGLBODPSV-YPMHNXCESA-N 1 2 200.285 2.736 20 30 BFEDLO C[C@@H]1CCC[N@H+]1[C@@H](C#N)c1ccccc1 ZINC000075601708 176110455 /nfs/dbraw/zinc/11/04/55/176110455.db2.gz VTUOHTGLBODPSV-YPMHNXCESA-N 1 2 200.285 2.736 20 30 BFEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@@H]1C ZINC000336336400 176305725 /nfs/dbraw/zinc/30/57/25/176305725.db2.gz AOELIXAWOPJSPG-NXEZZACHSA-N 1 2 218.275 2.538 20 30 BFEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@@H]1C ZINC000336336400 176305726 /nfs/dbraw/zinc/30/57/26/176305726.db2.gz AOELIXAWOPJSPG-NXEZZACHSA-N 1 2 218.275 2.538 20 30 BFEDLO C[C@H]1C[C@H](C)[NH+]1Cc1cccc(F)c1C#N ZINC000336599293 177360762 /nfs/dbraw/zinc/36/07/62/177360762.db2.gz WGUOBEGVHAGVEU-UWVGGRQHSA-N 1 2 218.275 2.680 20 30 BFEDLO Cc1cc(C[NH2+][C@@H](C)c2ccon2)ccc1C#N ZINC000488323639 225373920 /nfs/dbraw/zinc/37/39/20/225373920.db2.gz STRLUHMZUCRJHP-NSHDSACASA-N 1 2 241.294 2.706 20 30 BFEDLO C[C@H]1C[C@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000488344910 225381024 /nfs/dbraw/zinc/38/10/24/225381024.db2.gz GROHFXZTOWFAER-RYUDHWBXSA-N 1 2 218.300 2.651 20 30 BFEDLO C[C@H]1C[C@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000488344910 225381027 /nfs/dbraw/zinc/38/10/27/225381027.db2.gz GROHFXZTOWFAER-RYUDHWBXSA-N 1 2 218.300 2.651 20 30 BFEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1C#N ZINC000488230583 225357802 /nfs/dbraw/zinc/35/78/02/225357802.db2.gz KXSXHVJUXPFJCE-LBPRGKRZSA-N 1 2 227.311 2.601 20 30 BFEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1C#N ZINC000488230583 225357805 /nfs/dbraw/zinc/35/78/05/225357805.db2.gz KXSXHVJUXPFJCE-LBPRGKRZSA-N 1 2 227.311 2.601 20 30 BFEDLO COCC[N@H+](CCCC(C)(C)C#N)CC(F)F ZINC000174846456 229395481 /nfs/dbraw/zinc/39/54/81/229395481.db2.gz SQDCCWOBOWNJTO-UHFFFAOYSA-N 1 2 248.317 2.530 20 30 BFEDLO COCC[N@@H+](CCCC(C)(C)C#N)CC(F)F ZINC000174846456 229395485 /nfs/dbraw/zinc/39/54/85/229395485.db2.gz SQDCCWOBOWNJTO-UHFFFAOYSA-N 1 2 248.317 2.530 20 30 BFEDLO Cc1cc(N2CCC(C)(C)CC2)c(C#N)c[nH+]1 ZINC000399450153 262783976 /nfs/dbraw/zinc/78/39/76/262783976.db2.gz RBRNFZHGTDKFSL-UHFFFAOYSA-N 1 2 229.327 2.888 20 30 BFEDLO CCC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399471366 262784302 /nfs/dbraw/zinc/78/43/02/262784302.db2.gz YXDZFQINVMIBOE-UHFFFAOYSA-N 1 2 229.327 2.888 20 30 BFEDLO C=CCCN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000682414710 487952407 /nfs/dbraw/zinc/95/24/07/487952407.db2.gz JCDFYWZCFQQQMV-UHFFFAOYSA-N 1 2 219.332 2.786 20 30 BFEDLO Cc1[nH]c(CNc2cc(C)cc(C#N)c2)[nH+]c1C ZINC000571062620 323106049 /nfs/dbraw/zinc/10/60/49/323106049.db2.gz WUABKLWAYYGMEM-UHFFFAOYSA-N 1 2 240.310 2.819 20 30 BFEDLO N#CC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000110471403 323143939 /nfs/dbraw/zinc/14/39/39/323143939.db2.gz OPQXUQFHYKDFIB-UHFFFAOYSA-N 1 2 236.265 2.700 20 30 BFEDLO Cc1ccc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000405536080 323339889 /nfs/dbraw/zinc/33/98/89/323339889.db2.gz DSMXXLNAXQWADB-UHFFFAOYSA-N 1 2 217.316 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000405536080 323339892 /nfs/dbraw/zinc/33/98/92/323339892.db2.gz DSMXXLNAXQWADB-UHFFFAOYSA-N 1 2 217.316 2.514 20 30 BFEDLO C=CCOc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000564012725 323367486 /nfs/dbraw/zinc/36/74/86/323367486.db2.gz SIGPAICMPFYYCA-UHFFFAOYSA-N 1 2 229.283 2.587 20 30 BFEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000121501831 324014535 /nfs/dbraw/zinc/01/45/35/324014535.db2.gz CCZGKLPCFPGJQK-UHFFFAOYSA-N 1 2 243.310 2.663 20 30 BFEDLO C=CC[N@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000121501831 324014536 /nfs/dbraw/zinc/01/45/36/324014536.db2.gz CCZGKLPCFPGJQK-UHFFFAOYSA-N 1 2 243.310 2.663 20 30 BFEDLO COc1ccc[nH+]c1NCc1cc(C#N)cs1 ZINC000537360716 324066882 /nfs/dbraw/zinc/06/68/82/324066882.db2.gz FAYAWRNQYYXKCM-UHFFFAOYSA-N 1 2 245.307 2.635 20 30 BFEDLO C#CC[N@@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000072180510 325125122 /nfs/dbraw/zinc/12/51/22/325125122.db2.gz GUGZMDDVBJCQBE-UHFFFAOYSA-N 1 2 240.306 2.715 20 30 BFEDLO C#CC[N@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000072180510 325125127 /nfs/dbraw/zinc/12/51/27/325125127.db2.gz GUGZMDDVBJCQBE-UHFFFAOYSA-N 1 2 240.306 2.715 20 30 BFEDLO CC#CCC[N@@H+](C)Cc1csc(CC)n1 ZINC000546611282 325293896 /nfs/dbraw/zinc/29/38/96/325293896.db2.gz HNWGGCVKBYBWOL-UHFFFAOYSA-N 1 2 222.357 2.551 20 30 BFEDLO CC#CCC[N@H+](C)Cc1csc(CC)n1 ZINC000546611282 325293899 /nfs/dbraw/zinc/29/38/99/325293899.db2.gz HNWGGCVKBYBWOL-UHFFFAOYSA-N 1 2 222.357 2.551 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@H+](CCC#N)C(C)C ZINC000546688198 325301368 /nfs/dbraw/zinc/30/13/68/325301368.db2.gz VUVCKJYTQRINQA-UHFFFAOYSA-N 1 2 248.374 2.897 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@@H+](CCC#N)C(C)C ZINC000546688198 325301370 /nfs/dbraw/zinc/30/13/70/325301370.db2.gz VUVCKJYTQRINQA-UHFFFAOYSA-N 1 2 248.374 2.897 20 30 BFEDLO CCCc1nc(C[NH2+][C@@H](CC)CC#N)cs1 ZINC000566428652 326045044 /nfs/dbraw/zinc/04/50/44/326045044.db2.gz JHJPVOCGZZBTHM-JTQLQIEISA-N 1 2 237.372 2.877 20 30 BFEDLO N#Cc1csc(CNc2cccc[nH+]2)c1 ZINC000157438137 326274930 /nfs/dbraw/zinc/27/49/30/326274930.db2.gz ILFLKRXZPYXPDL-UHFFFAOYSA-N 1 2 215.281 2.627 20 30 BFEDLO CC#CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000569319320 326399756 /nfs/dbraw/zinc/39/97/56/326399756.db2.gz DXMJOSRUQAVGGZ-CQSZACIVSA-N 1 2 235.277 2.720 20 30 BFEDLO CC#CC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000569319320 326399757 /nfs/dbraw/zinc/39/97/57/326399757.db2.gz DXMJOSRUQAVGGZ-CQSZACIVSA-N 1 2 235.277 2.720 20 30 BFEDLO CC1(C#N)C[NH+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000334924483 488061567 /nfs/dbraw/zinc/06/15/67/488061567.db2.gz FVSGCIZPSVAATH-KBPBESRZSA-N 1 2 226.323 2.636 20 30 BFEDLO C=CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000678881214 488293502 /nfs/dbraw/zinc/29/35/02/488293502.db2.gz AEXUYPPWIJVCHD-CYBMUJFWSA-N 1 2 249.358 2.524 20 30 BFEDLO C=CC[N@H+](Cc1cccs1)Cc1cncnc1 ZINC000119926774 491093495 /nfs/dbraw/zinc/09/34/95/491093495.db2.gz KIVDJHHWAHRNTD-UHFFFAOYSA-N 1 2 245.351 2.726 20 30 BFEDLO C=CC[N@@H+](Cc1cccs1)Cc1cncnc1 ZINC000119926774 491093496 /nfs/dbraw/zinc/09/34/96/491093496.db2.gz KIVDJHHWAHRNTD-UHFFFAOYSA-N 1 2 245.351 2.726 20 30 BFEDLO C[C@@H]1CC[N@H+](CCCSCC#N)CC1(F)F ZINC000494258862 534030412 /nfs/dbraw/zinc/03/04/12/534030412.db2.gz DZHDRXJUHMAVFP-SNVBAGLBSA-N 1 2 248.342 2.610 20 30 BFEDLO C[C@@H]1CC[N@@H+](CCCSCC#N)CC1(F)F ZINC000494258862 534030420 /nfs/dbraw/zinc/03/04/20/534030420.db2.gz DZHDRXJUHMAVFP-SNVBAGLBSA-N 1 2 248.342 2.610 20 30 BFEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000358500268 534393478 /nfs/dbraw/zinc/39/34/78/534393478.db2.gz PUHUZWMCYCZRMD-HNNXBMFYSA-N 1 2 247.338 2.732 20 30 BFEDLO C=C(CC)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000358500268 534393485 /nfs/dbraw/zinc/39/34/85/534393485.db2.gz PUHUZWMCYCZRMD-HNNXBMFYSA-N 1 2 247.338 2.732 20 30 BFEDLO C=CCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000359328587 534668828 /nfs/dbraw/zinc/66/88/28/534668828.db2.gz JJZREMMUECHPQJ-UHFFFAOYSA-N 1 2 229.283 2.629 20 30 BFEDLO C=CC[N@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000121404008 534817269 /nfs/dbraw/zinc/81/72/69/534817269.db2.gz XFSJXWLPNLOFBQ-NSHDSACASA-N 1 2 243.310 2.915 20 30 BFEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000121404008 534817265 /nfs/dbraw/zinc/81/72/65/534817265.db2.gz XFSJXWLPNLOFBQ-NSHDSACASA-N 1 2 243.310 2.915 20 30 BFEDLO C=CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120967430 534853959 /nfs/dbraw/zinc/85/39/59/534853959.db2.gz UPDLHCOEPHTWCQ-UHFFFAOYSA-N 1 2 209.239 2.509 20 30 BFEDLO C=CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120967430 534853963 /nfs/dbraw/zinc/85/39/63/534853963.db2.gz UPDLHCOEPHTWCQ-UHFFFAOYSA-N 1 2 209.239 2.509 20 30 BFEDLO C=CCOCCCOc1ccc(C)[nH+]c1CC ZINC000358592640 534876024 /nfs/dbraw/zinc/87/60/24/534876024.db2.gz QUUVUFUHDJPRGS-UHFFFAOYSA-N 1 2 235.327 2.924 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001172926605 974970878 /nfs/dbraw/zinc/97/08/78/974970878.db2.gz CCFCGCSGFMHWIF-FRRDWIJNSA-N 1 2 224.348 2.616 20 30 BFEDLO CCOc1ccccc1C[N@H+](CC)CCC#N ZINC000267080904 535504056 /nfs/dbraw/zinc/50/40/56/535504056.db2.gz MUDKEJAKOHXGAG-UHFFFAOYSA-N 1 2 232.327 2.821 20 30 BFEDLO CCOc1ccccc1C[N@@H+](CC)CCC#N ZINC000267080904 535504063 /nfs/dbraw/zinc/50/40/63/535504063.db2.gz MUDKEJAKOHXGAG-UHFFFAOYSA-N 1 2 232.327 2.821 20 30 BFEDLO CCOc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000299154612 535504446 /nfs/dbraw/zinc/50/44/46/535504446.db2.gz HGVJSOZAYMJJBF-GFCCVEGCSA-N 1 2 232.327 2.677 20 30 BFEDLO CCOc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000299154612 535504453 /nfs/dbraw/zinc/50/44/53/535504453.db2.gz HGVJSOZAYMJJBF-GFCCVEGCSA-N 1 2 232.327 2.677 20 30 BFEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)CCC#N ZINC000267409056 535766639 /nfs/dbraw/zinc/76/66/39/535766639.db2.gz SSMWANZXARWMCH-UHFFFAOYSA-N 1 2 246.741 2.927 20 30 BFEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)CCC#N ZINC000267409056 535766642 /nfs/dbraw/zinc/76/66/42/535766642.db2.gz SSMWANZXARWMCH-UHFFFAOYSA-N 1 2 246.741 2.927 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708885 536056578 /nfs/dbraw/zinc/05/65/78/536056578.db2.gz ARZCINFDKOEJOH-SECBINFHSA-N 1 2 242.244 2.886 20 30 BFEDLO COCc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000354025983 536764724 /nfs/dbraw/zinc/76/47/24/536764724.db2.gz LPYKGNIVOCEIFH-LLVKDONJSA-N 1 2 248.326 2.550 20 30 BFEDLO COCc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000354025983 536764728 /nfs/dbraw/zinc/76/47/28/536764728.db2.gz LPYKGNIVOCEIFH-LLVKDONJSA-N 1 2 248.326 2.550 20 30 BFEDLO Cc1cccnc1N=NCc1[nH+]ccn1C(C)C ZINC000853338779 588735005 /nfs/dbraw/zinc/73/50/05/588735005.db2.gz RNTOONRWGQKIGB-UHFFFAOYSA-N 1 2 243.314 2.613 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NN1CCCC[C@@H]1C ZINC000853383019 588740002 /nfs/dbraw/zinc/74/00/02/588740002.db2.gz BVDYUYZGKSRVKI-LBPRGKRZSA-N 1 2 234.347 2.672 20 30 BFEDLO c1ccc(N2CCC(=NOC3CCC3)CC2)[nH+]c1 ZINC000812235648 582497262 /nfs/dbraw/zinc/49/72/62/582497262.db2.gz LUOVAUXGJKXCKB-UHFFFAOYSA-N 1 2 245.326 2.607 20 30 BFEDLO Cc1nn(C(C)C)c(C)c1C[N@H+](C)C[C@H](C)C#N ZINC000891716626 582713161 /nfs/dbraw/zinc/71/31/61/582713161.db2.gz UWZURFCVWRHNJE-LLVKDONJSA-N 1 2 248.374 2.672 20 30 BFEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)C[C@H](C)C#N ZINC000891716626 582713162 /nfs/dbraw/zinc/71/31/62/582713162.db2.gz UWZURFCVWRHNJE-LLVKDONJSA-N 1 2 248.374 2.672 20 30 BFEDLO C=CCCCCNc1cccc([C@H](C)O)[nH+]1 ZINC000893229430 583075537 /nfs/dbraw/zinc/07/55/37/583075537.db2.gz JKVQFSVLEWHMMI-NSHDSACASA-N 1 2 220.316 2.903 20 30 BFEDLO C=CCN(C)c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893258708 583080004 /nfs/dbraw/zinc/08/00/04/583080004.db2.gz JRUYRTSLBWBOOR-UHFFFAOYSA-N 1 2 229.327 2.854 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1Cl ZINC000857040608 588883225 /nfs/dbraw/zinc/88/32/25/588883225.db2.gz XEYXKUANFHBQDF-LLVKDONJSA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1Cl ZINC000857040608 588883226 /nfs/dbraw/zinc/88/32/26/588883226.db2.gz XEYXKUANFHBQDF-LLVKDONJSA-N 1 2 239.750 2.614 20 30 BFEDLO CC[N@@H+](Cc1cc(C)co1)C[C@H](C)C#N ZINC000893994577 583267995 /nfs/dbraw/zinc/26/79/95/583267995.db2.gz ITRISHIEASVPLN-LLVKDONJSA-N 1 2 206.289 2.570 20 30 BFEDLO CC[N@H+](Cc1cc(C)co1)C[C@H](C)C#N ZINC000893994577 583267998 /nfs/dbraw/zinc/26/79/98/583267998.db2.gz ITRISHIEASVPLN-LLVKDONJSA-N 1 2 206.289 2.570 20 30 BFEDLO Cc1n[nH]c(C[N@H+](CCC#N)CC(C)(C)C)c1C ZINC000894003875 583271879 /nfs/dbraw/zinc/27/18/79/583271879.db2.gz SZSNGYZEPMSEAW-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO Cc1n[nH]c(C[N@@H+](CCC#N)CC(C)(C)C)c1C ZINC000894003875 583271881 /nfs/dbraw/zinc/27/18/81/583271881.db2.gz SZSNGYZEPMSEAW-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO CSc1ccc(C[NH2+]CC(C)(C)C#N)o1 ZINC000894454492 583463262 /nfs/dbraw/zinc/46/32/62/583463262.db2.gz QCTBCBMCLPBFIU-UHFFFAOYSA-N 1 2 224.329 2.641 20 30 BFEDLO N#Cc1csc(C[NH+]2CC(C(F)(F)F)C2)c1 ZINC000894892448 583548477 /nfs/dbraw/zinc/54/84/77/583548477.db2.gz WKIMBQNOTROYRA-UHFFFAOYSA-N 1 2 246.257 2.614 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cn2)CCC1 ZINC000895025058 583570884 /nfs/dbraw/zinc/57/08/84/583570884.db2.gz HBJIWYFIWZVREX-UHFFFAOYSA-N 1 2 235.718 2.518 20 30 BFEDLO CCOc1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000895140760 583602969 /nfs/dbraw/zinc/60/29/69/583602969.db2.gz GTCKDBUYFKQFCK-UHFFFAOYSA-N 1 2 248.326 2.852 20 30 BFEDLO Cc1sccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896503185 583807779 /nfs/dbraw/zinc/80/77/79/583807779.db2.gz JBIFYUJKYPBCEP-LLVKDONJSA-N 1 2 220.341 2.792 20 30 BFEDLO Cc1sccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896503185 583807782 /nfs/dbraw/zinc/80/77/82/583807782.db2.gz JBIFYUJKYPBCEP-LLVKDONJSA-N 1 2 220.341 2.792 20 30 BFEDLO C=C(C)CC/[NH+]=C/c1cc(OC)ccc1O ZINC000840707495 583848750 /nfs/dbraw/zinc/84/87/50/583848750.db2.gz PIZKGJUYBGCJHU-NTEUORMPSA-N 1 2 219.284 2.786 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/CC[C@H](C)F)c1 ZINC000840707775 583849826 /nfs/dbraw/zinc/84/98/26/583849826.db2.gz YJIPEKPHGWKJEZ-PFMRQGHBSA-N 1 2 225.263 2.568 20 30 BFEDLO C#CC[N@@H+](Cc1cccc(Cl)c1O)C(C)C ZINC000897171200 583889433 /nfs/dbraw/zinc/88/94/33/583889433.db2.gz SHSWXNCICYJUKL-UHFFFAOYSA-N 1 2 237.730 2.889 20 30 BFEDLO C#CC[N@@H+](Cc1ncc(CC)s1)C(C)C ZINC000897170992 583889507 /nfs/dbraw/zinc/88/95/07/583889507.db2.gz NPRGFAZEJAYLJY-UHFFFAOYSA-N 1 2 222.357 2.549 20 30 BFEDLO C#CC[N@H+](Cc1ncc(CC)s1)C(C)C ZINC000897170992 583889509 /nfs/dbraw/zinc/88/95/09/583889509.db2.gz NPRGFAZEJAYLJY-UHFFFAOYSA-N 1 2 222.357 2.549 20 30 BFEDLO C=C(Cl)C[NH2+][C@H]1CCCc2scnc21 ZINC000858380647 588949904 /nfs/dbraw/zinc/94/99/04/588949904.db2.gz GPMJHBAZUSZGNU-QMMMGPOBSA-N 1 2 228.748 2.863 20 30 BFEDLO C=C[C@@H]1CCCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000865733449 584027675 /nfs/dbraw/zinc/02/76/75/584027675.db2.gz JXETYIICZCCMLS-WCQYABFASA-N 1 2 232.327 2.680 20 30 BFEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccco1 ZINC000730148115 584124718 /nfs/dbraw/zinc/12/47/18/584124718.db2.gz OKAJWZANNDXKFD-UHFFFAOYSA-N 1 2 237.262 2.696 20 30 BFEDLO C=CC(C)(C)[NH2+]Cc1n[nH]c2ccccc21 ZINC000898458188 584137489 /nfs/dbraw/zinc/13/74/89/584137489.db2.gz YULGZXAXTGDXJO-UHFFFAOYSA-N 1 2 215.300 2.617 20 30 BFEDLO C[C@H]1CC2(CC(/[NH+]=C\c3ccccc3O)C2)CO1 ZINC000899231840 584183019 /nfs/dbraw/zinc/18/30/19/584183019.db2.gz IBDYZJHHZKCEOP-ISVZGPGSSA-N 1 2 245.322 2.769 20 30 BFEDLO CCc1ccc(C(=O)/C=C/c2cn(CC)c[nH+]2)o1 ZINC000899362111 584207702 /nfs/dbraw/zinc/20/77/02/584207702.db2.gz KHBYWLPSCQJCER-FNORWQNLSA-N 1 2 244.294 2.955 20 30 BFEDLO CC(C)C[C@H](C)C=[NH+]n1nnc2c1CCCC2 ZINC000901331166 584425080 /nfs/dbraw/zinc/42/50/80/584425080.db2.gz LCKNYJJIEKXRPI-NSHDSACASA-N 1 2 234.347 2.673 20 30 BFEDLO CCn1c[nH+]c(CNc2cccc(CC#N)c2)c1 ZINC000902583485 584638919 /nfs/dbraw/zinc/63/89/19/584638919.db2.gz GKJRLXPAHKQDMB-UHFFFAOYSA-N 1 2 240.310 2.581 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(O)ccc1F ZINC000903035429 584718837 /nfs/dbraw/zinc/71/88/37/584718837.db2.gz PECQJQGNOJEHHR-JTQLQIEISA-N 1 2 248.301 2.876 20 30 BFEDLO CCOc1ccc(/C=[NH+]\C2CCC2)c(O)c1 ZINC000730464689 584911251 /nfs/dbraw/zinc/91/12/51/584911251.db2.gz YMWMIACPMBJXJZ-ZROIWOOFSA-N 1 2 219.284 2.762 20 30 BFEDLO CC(C)C[N@@H+](C/C=C\Cl)CCC#N ZINC000218746210 584911861 /nfs/dbraw/zinc/91/18/61/584911861.db2.gz VODGZYFTHUTTCH-HYXAFXHYSA-N 1 2 200.713 2.611 20 30 BFEDLO CC(C)C[N@H+](C/C=C\Cl)CCC#N ZINC000218746210 584911862 /nfs/dbraw/zinc/91/18/62/584911862.db2.gz VODGZYFTHUTTCH-HYXAFXHYSA-N 1 2 200.713 2.611 20 30 BFEDLO CC1(C)c2ccccc2C(=O)/C1=C\c1[nH]cc[nH+]1 ZINC000731158609 584923031 /nfs/dbraw/zinc/92/30/31/584923031.db2.gz FUJQOVUPGLUTOP-FMIVXFBMSA-N 1 2 238.290 2.967 20 30 BFEDLO Oc1cccc(/C=[NH+]\CC(C2CC2)C2CC2)c1O ZINC000743044655 585133656 /nfs/dbraw/zinc/13/36/56/585133656.db2.gz NVCMLVCBMNMPSD-PXNMLYILSA-N 1 2 245.322 2.953 20 30 BFEDLO COc1cccc(O)c1/C=[NH+]/CCC1CC1 ZINC000743044852 585133687 /nfs/dbraw/zinc/13/36/87/585133687.db2.gz RZRAEZPGTAVEOQ-NTEUORMPSA-N 1 2 219.284 2.620 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CC1(Cl)Cl ZINC000750283169 585212650 /nfs/dbraw/zinc/21/26/50/585212650.db2.gz BOHILPSZCIWDTE-BDAKNGLRSA-N 1 2 235.158 2.662 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CC1(Cl)Cl ZINC000750283169 585212651 /nfs/dbraw/zinc/21/26/51/585212651.db2.gz BOHILPSZCIWDTE-BDAKNGLRSA-N 1 2 235.158 2.662 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000753588576 585262873 /nfs/dbraw/zinc/26/28/73/585262873.db2.gz XMBKAFOLRRGIQI-AWEZNQCLSA-N 1 2 248.301 2.657 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000753588576 585262874 /nfs/dbraw/zinc/26/28/74/585262874.db2.gz XMBKAFOLRRGIQI-AWEZNQCLSA-N 1 2 248.301 2.657 20 30 BFEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1[nH]cc[nH+]1)CC2 ZINC000753900640 585271804 /nfs/dbraw/zinc/27/18/04/585271804.db2.gz PRAXZZCLDUTFAU-XFXZXTDPSA-N 1 2 238.290 2.931 20 30 BFEDLO CCCCCCCC(=O)OCc1c[nH+]cn1C ZINC000754684844 585289416 /nfs/dbraw/zinc/28/94/16/585289416.db2.gz LMKBBIXGYHWGGP-UHFFFAOYSA-N 1 2 238.331 2.824 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NNc1ccc(Cl)cc1 ZINC000755461613 585300023 /nfs/dbraw/zinc/30/00/23/585300023.db2.gz IQSHJMZBVNVGSL-UHFFFAOYSA-N 1 2 234.690 2.818 20 30 BFEDLO CCON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000755628034 585302829 /nfs/dbraw/zinc/30/28/29/585302829.db2.gz OOEMBEXJOWMXMR-UHFFFAOYSA-N 1 2 231.299 2.828 20 30 BFEDLO C=CCCCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755912600 585310478 /nfs/dbraw/zinc/31/04/78/585310478.db2.gz HDVIGJYDRGANAR-UHFFFAOYSA-N 1 2 248.326 2.547 20 30 BFEDLO C#CC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC000756954276 585325498 /nfs/dbraw/zinc/32/54/98/585325498.db2.gz WBEZOQIDALGGBF-AWEZNQCLSA-N 1 2 237.306 2.962 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1cnccc1C ZINC000839588288 585331224 /nfs/dbraw/zinc/33/12/24/585331224.db2.gz MWVOHXBXMFCTIA-UHFFFAOYSA-N 1 2 210.708 2.574 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1cnccc1C ZINC000839588288 585331225 /nfs/dbraw/zinc/33/12/25/585331225.db2.gz MWVOHXBXMFCTIA-UHFFFAOYSA-N 1 2 210.708 2.574 20 30 BFEDLO CC(=[NH+]OCC(F)(F)F)c1ccc(N)cc1C ZINC000758120164 585349351 /nfs/dbraw/zinc/34/93/51/585349351.db2.gz XKNCLEMLWGOUQP-UHFFFAOYSA-N 1 2 246.232 2.880 20 30 BFEDLO C#CCCCC/[NH+]=C\c1c(O)cccc1OC ZINC000758360713 585354598 /nfs/dbraw/zinc/35/45/98/585354598.db2.gz ZHQGPTZAQPPTLY-PTNGSMBKSA-N 1 2 231.295 2.623 20 30 BFEDLO C#CC[C@@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000758417427 585355803 /nfs/dbraw/zinc/35/58/03/585355803.db2.gz VAYNADHHSADYQM-CQSZACIVSA-N 1 2 226.279 2.529 20 30 BFEDLO Cc1cc2c(cc1C)C(=O)/C(=C\c1[nH]cc[nH+]1)O2 ZINC000759117764 585364348 /nfs/dbraw/zinc/36/43/48/585364348.db2.gz PZRSTUCYNQJXEA-KPKJPENVSA-N 1 2 240.262 2.643 20 30 BFEDLO CCC(CC)C[N@H+](CCF)CCC#N ZINC000759342465 585369720 /nfs/dbraw/zinc/36/97/20/585369720.db2.gz JVRIZTKVBLXFHK-UHFFFAOYSA-N 1 2 200.301 2.608 20 30 BFEDLO CCC(CC)C[N@@H+](CCF)CCC#N ZINC000759342465 585369721 /nfs/dbraw/zinc/36/97/21/585369721.db2.gz JVRIZTKVBLXFHK-UHFFFAOYSA-N 1 2 200.301 2.608 20 30 BFEDLO CC[C@@H](C)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000764547652 585467476 /nfs/dbraw/zinc/46/74/76/585467476.db2.gz OSKJHQBAGSYVCR-SECBINFHSA-N 1 2 224.279 2.509 20 30 BFEDLO CCCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000766743761 585507866 /nfs/dbraw/zinc/50/78/66/585507866.db2.gz PTIPDNCSCDDZDQ-UHFFFAOYSA-N 1 2 224.279 2.653 20 30 BFEDLO CCO[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000767464921 585520773 /nfs/dbraw/zinc/52/07/73/585520773.db2.gz VIALVGLEIZNMHY-UHFFFAOYSA-N 1 2 222.288 2.640 20 30 BFEDLO C(=NNc1ccccc1)c1cccc2[nH+]ccn21 ZINC000771098606 585590456 /nfs/dbraw/zinc/59/04/56/585590456.db2.gz OADUSSMAFORVBH-UHFFFAOYSA-N 1 2 236.278 2.780 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)c1cccc(F)c1 ZINC000773177068 585633352 /nfs/dbraw/zinc/63/33/52/585633352.db2.gz HDCWKQVESYJFAE-UHFFFAOYSA-N 1 2 222.263 2.638 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000778232414 585728123 /nfs/dbraw/zinc/72/81/23/585728123.db2.gz VZUJNHHCIAATHB-UHFFFAOYSA-N 1 2 208.305 2.806 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000778232414 585728124 /nfs/dbraw/zinc/72/81/24/585728124.db2.gz VZUJNHHCIAATHB-UHFFFAOYSA-N 1 2 208.305 2.806 20 30 BFEDLO C=C(CC)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780090691 585772540 /nfs/dbraw/zinc/77/25/40/585772540.db2.gz CLVILYURMXBCQR-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO CC1(C)CC(C/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000780147180 585773179 /nfs/dbraw/zinc/77/31/79/585773179.db2.gz KTFXDGNYPZYTMT-OVCLIPMQSA-N 1 2 249.310 2.659 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccccc1SC ZINC000781331061 585794897 /nfs/dbraw/zinc/79/48/97/585794897.db2.gz KSSAILGECDGFRV-UHFFFAOYSA-N 1 2 243.375 2.867 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1SC ZINC000781331061 585794898 /nfs/dbraw/zinc/79/48/98/585794898.db2.gz KSSAILGECDGFRV-UHFFFAOYSA-N 1 2 243.375 2.867 20 30 BFEDLO C=CCCCCCO[NH+]=C(N)COC(C)C ZINC000783031237 585827126 /nfs/dbraw/zinc/82/71/26/585827126.db2.gz VAXMKICBBGMUFV-UHFFFAOYSA-N 1 2 228.336 2.656 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000784451897 585860306 /nfs/dbraw/zinc/86/03/06/585860306.db2.gz MFARURNOJWMJOX-ZJUUUORDSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000784451897 585860307 /nfs/dbraw/zinc/86/03/07/585860307.db2.gz MFARURNOJWMJOX-ZJUUUORDSA-N 1 2 247.169 2.806 20 30 BFEDLO Cc1ccc(COC(=O)CC(C)(C)C#N)c(C)[nH+]1 ZINC000785096447 585870718 /nfs/dbraw/zinc/87/07/18/585870718.db2.gz QNDFRMXVXGSCGL-UHFFFAOYSA-N 1 2 246.310 2.682 20 30 BFEDLO C=C(C)[C@H](CO)[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000805804312 585889935 /nfs/dbraw/zinc/88/99/35/585889935.db2.gz PCRQDFMPUJBYCP-ZDUSSCGKSA-N 1 2 237.730 2.593 20 30 BFEDLO C=C(C)[C@H](CO)[N@H+]1Cc2cccc(Cl)c2C1 ZINC000805804312 585889936 /nfs/dbraw/zinc/88/99/36/585889936.db2.gz PCRQDFMPUJBYCP-ZDUSSCGKSA-N 1 2 237.730 2.593 20 30 BFEDLO C=CCC[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000786579848 585895280 /nfs/dbraw/zinc/89/52/80/585895280.db2.gz UKGYPDOVBSJOLE-UHFFFAOYSA-N 1 2 248.157 2.735 20 30 BFEDLO C=CCC[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000786579848 585895281 /nfs/dbraw/zinc/89/52/81/585895281.db2.gz UKGYPDOVBSJOLE-UHFFFAOYSA-N 1 2 248.157 2.735 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(F)cn1 ZINC000787252310 585904035 /nfs/dbraw/zinc/90/40/35/585904035.db2.gz VFIKRPFTJSFYBT-UHFFFAOYSA-N 1 2 235.306 2.592 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(F)cn1 ZINC000787252310 585904036 /nfs/dbraw/zinc/90/40/36/585904036.db2.gz VFIKRPFTJSFYBT-UHFFFAOYSA-N 1 2 235.306 2.592 20 30 BFEDLO C#CCC[NH2+]c1ccc(-n2cccn2)cc1C ZINC000788800707 585930532 /nfs/dbraw/zinc/93/05/32/585930532.db2.gz WHCGLMYHPXFUBG-UHFFFAOYSA-N 1 2 225.295 2.616 20 30 BFEDLO COc1cccc(/C=[NH+]/[C@@H]2CC[C@@H]2C)c1O ZINC000794677497 586046551 /nfs/dbraw/zinc/04/65/51/586046551.db2.gz VNLRZEDBQJCELI-DPFKOWGQSA-N 1 2 219.284 2.618 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(C)cc1 ZINC000794743565 586047905 /nfs/dbraw/zinc/04/79/05/586047905.db2.gz DUXIWLOWRNUAOR-UHFFFAOYSA-N 1 2 244.338 2.776 20 30 BFEDLO C=CC[N@H+](CCC#N)CCOc1ccc(C)cc1 ZINC000794743565 586047906 /nfs/dbraw/zinc/04/79/06/586047906.db2.gz DUXIWLOWRNUAOR-UHFFFAOYSA-N 1 2 244.338 2.776 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000795202905 586070416 /nfs/dbraw/zinc/07/04/16/586070416.db2.gz FPPCEPZTDLSTGJ-UHFFFAOYSA-N 1 2 238.718 2.943 20 30 BFEDLO NC(=[NH+]OCCCCF)c1ccc(Cl)cc1 ZINC000795204007 586071669 /nfs/dbraw/zinc/07/16/69/586071669.db2.gz RSYHMBFIQVSGSI-UHFFFAOYSA-N 1 2 244.697 2.727 20 30 BFEDLO C=C(C)C[N@@H+](CCF)Cc1cnn(C(C)C)c1 ZINC000796453715 586103868 /nfs/dbraw/zinc/10/38/68/586103868.db2.gz LWUQIEJJMUPBIQ-UHFFFAOYSA-N 1 2 239.338 2.812 20 30 BFEDLO C=C(C)C[N@H+](CCF)Cc1cnn(C(C)C)c1 ZINC000796453715 586103869 /nfs/dbraw/zinc/10/38/69/586103869.db2.gz LWUQIEJJMUPBIQ-UHFFFAOYSA-N 1 2 239.338 2.812 20 30 BFEDLO CC[C@@H]1C[C@H]1/[NH+]=C\c1cc(OC)ccc1O ZINC000797784613 586131208 /nfs/dbraw/zinc/13/12/08/586131208.db2.gz BGBLNGXJAZEAAH-WDMMMDRRSA-N 1 2 219.284 2.618 20 30 BFEDLO C[C@@H]1CCC[C@@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000798343680 586142729 /nfs/dbraw/zinc/14/27/29/586142729.db2.gz NTCXQEPHLGRNBK-SAGHTCLTSA-N 1 2 249.310 2.659 20 30 BFEDLO N#C[C@H]1CC[C@@H]([NH2+]c2ccc3c(c2)CCO3)C1 ZINC000799722269 586194861 /nfs/dbraw/zinc/19/48/61/586194861.db2.gz DDYKNOFOGNXGQW-CMPLNLGQSA-N 1 2 228.295 2.726 20 30 BFEDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)no1 ZINC000800311521 586211331 /nfs/dbraw/zinc/21/13/31/586211331.db2.gz OFFAGUUJGCLDHE-NSHDSACASA-N 1 2 241.294 2.706 20 30 BFEDLO CCc1ccc(C(=O)/C=C\c2cn(C)c[nH+]2)s1 ZINC000800793218 586228612 /nfs/dbraw/zinc/22/86/12/586228612.db2.gz NQTAPSYNBYOFIX-XQRVVYSFSA-N 1 2 246.335 2.940 20 30 BFEDLO Cc1cccc(C(=O)/C=C/c2cn(C)c[nH+]2)c1 ZINC000800792586 586228792 /nfs/dbraw/zinc/22/87/92/586228792.db2.gz VAOWPHWTIWRVEG-VOTSOKGWSA-N 1 2 226.279 2.625 20 30 BFEDLO Cc1cc(F)ccc1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000800793563 586229056 /nfs/dbraw/zinc/22/90/56/586229056.db2.gz MGXUSTDDFGQLHG-XQRVVYSFSA-N 1 2 244.269 2.764 20 30 BFEDLO Cc1cc(F)ccc1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000800793561 586229068 /nfs/dbraw/zinc/22/90/68/586229068.db2.gz MGXUSTDDFGQLHG-GQCTYLIASA-N 1 2 244.269 2.764 20 30 BFEDLO Cc1cccc(C(=O)/C=C/c2cn(C)c[nH+]2)c1C ZINC000800792903 586229440 /nfs/dbraw/zinc/22/94/40/586229440.db2.gz DPEJQOCFMREDHI-BQYQJAHWSA-N 1 2 240.306 2.933 20 30 BFEDLO Cc1ccc(F)c(C(=O)/C=C\c2cn(C)c[nH+]2)c1 ZINC000800794339 586229522 /nfs/dbraw/zinc/22/95/22/586229522.db2.gz CNDLGOROOMWKOR-XQRVVYSFSA-N 1 2 244.269 2.764 20 30 BFEDLO CC(C)(CCC#N)C/[NH+]=C/c1cccc(O)c1O ZINC000806549903 586413850 /nfs/dbraw/zinc/41/38/50/586413850.db2.gz BQLXBLYOIMWASY-CXUHLZMHSA-N 1 2 246.310 2.847 20 30 BFEDLO C[C@H]1CC(=NNc2[nH+]ccn2C)c2ccccc21 ZINC000807986220 586455413 /nfs/dbraw/zinc/45/54/13/586455413.db2.gz FYXMKUCOZABYTM-JTQLQIEISA-N 1 2 240.310 2.744 20 30 BFEDLO C[C@H]1c2ccccc2C(=O)/C1=C\c1[nH]cc[nH+]1 ZINC000809157248 586500113 /nfs/dbraw/zinc/50/01/13/586500113.db2.gz RWRLLVGDZJPOAA-RILYUOAZSA-N 1 2 224.263 2.793 20 30 BFEDLO CCC(=[NH+]Nc1ccccn1)c1cccc(N)c1 ZINC000814731989 586631055 /nfs/dbraw/zinc/63/10/55/586631055.db2.gz SBRSTZFZZQVUKQ-UHFFFAOYSA-N 1 2 240.310 2.890 20 30 BFEDLO CC(=[NH+]OC1CCC1)c1cc(F)c(N)c(F)c1 ZINC000814936502 586655223 /nfs/dbraw/zinc/65/52/23/586655223.db2.gz VXVCVCCRZWVIAK-UHFFFAOYSA-N 1 2 240.253 2.840 20 30 BFEDLO N#CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000819155889 586933726 /nfs/dbraw/zinc/93/37/26/586933726.db2.gz XJGZOWNWKHREBO-CYBMUJFWSA-N 1 2 242.322 2.936 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NNC1CCCCC1 ZINC000819809370 586996366 /nfs/dbraw/zinc/99/63/66/586996366.db2.gz GBPOJQSKSAVGTA-UHFFFAOYSA-N 1 2 234.347 2.720 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1c(F)cc(C)cc1F ZINC000822476754 587170725 /nfs/dbraw/zinc/17/07/25/587170725.db2.gz VNVARIAIAFQTQZ-JTQLQIEISA-N 1 2 223.266 2.727 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1c(F)cc(C)cc1F ZINC000822476754 587170727 /nfs/dbraw/zinc/17/07/27/587170727.db2.gz VNVARIAIAFQTQZ-JTQLQIEISA-N 1 2 223.266 2.727 20 30 BFEDLO C=C[C@H](CC)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823056853 587200301 /nfs/dbraw/zinc/20/03/01/587200301.db2.gz JIALRPFHHLJMOF-CYBMUJFWSA-N 1 2 246.354 2.917 20 30 BFEDLO C#CC[N@@H+](Cc1ccc(F)c(F)c1F)C1CC1 ZINC000825519879 587322750 /nfs/dbraw/zinc/32/27/50/587322750.db2.gz PADXNFCPKQFLKI-UHFFFAOYSA-N 1 2 239.240 2.702 20 30 BFEDLO C#CC[N@H+](Cc1ccc(F)c(F)c1F)C1CC1 ZINC000825519879 587322752 /nfs/dbraw/zinc/32/27/52/587322752.db2.gz PADXNFCPKQFLKI-UHFFFAOYSA-N 1 2 239.240 2.702 20 30 BFEDLO C#CC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000826578777 587355587 /nfs/dbraw/zinc/35/55/87/587355587.db2.gz MEJKVHAKKXQETQ-GFCCVEGCSA-N 1 2 241.338 2.594 20 30 BFEDLO C#CC[C@@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000826578333 587355638 /nfs/dbraw/zinc/35/56/38/587355638.db2.gz ASJWGTRNNFNLKJ-CYBMUJFWSA-N 1 2 243.354 2.840 20 30 BFEDLO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)no1 ZINC000827389196 587379519 /nfs/dbraw/zinc/37/95/19/587379519.db2.gz LRGAUAMPZPLPEN-UHFFFAOYSA-N 1 2 233.315 2.547 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827641303 587394065 /nfs/dbraw/zinc/39/40/65/587394065.db2.gz MYDJDNZEULIYHM-DTWKUNHWSA-N 1 2 235.158 2.662 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827641303 587394067 /nfs/dbraw/zinc/39/40/67/587394067.db2.gz MYDJDNZEULIYHM-DTWKUNHWSA-N 1 2 235.158 2.662 20 30 BFEDLO CCCCCCCC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833302241 587705375 /nfs/dbraw/zinc/70/53/75/587705375.db2.gz YYJOMOSKUBANGY-LBPRGKRZSA-N 1 2 249.358 2.805 20 30 BFEDLO C#Cc1cccc(C[NH2+][C@H](C)c2cn[nH]c2C)c1 ZINC000834902969 587769915 /nfs/dbraw/zinc/76/99/15/587769915.db2.gz MOUTYYTUGLKREY-LLVKDONJSA-N 1 2 239.322 2.550 20 30 BFEDLO CC(C)c1ncc[nH+]c1NNC=C1CC1(F)F ZINC000834979130 587775453 /nfs/dbraw/zinc/77/54/53/587775453.db2.gz ZKTPAMINIKOJBP-QMMMGPOBSA-N 1 2 240.257 2.653 20 30 BFEDLO C=CC(C)(C)C(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000835260189 587793041 /nfs/dbraw/zinc/79/30/41/587793041.db2.gz OQWKLUXKVCUXKB-UHFFFAOYSA-N 1 2 249.310 2.654 20 30 BFEDLO C#CCCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000836632826 587835584 /nfs/dbraw/zinc/83/55/84/587835584.db2.gz PVXULEWSHMVSBI-UHFFFAOYSA-N 1 2 245.326 2.542 20 30 BFEDLO CC[C@@H]1C[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000840708115 587917098 /nfs/dbraw/zinc/91/70/98/587917098.db2.gz CLXAHCWQUGVPQZ-OOBZVNITSA-N 1 2 219.284 2.563 20 30 BFEDLO CC(C)(CC#N)C/[NH+]=C/c1ccccc1O ZINC000840710415 587917547 /nfs/dbraw/zinc/91/75/47/587917547.db2.gz JEXADRGQTHCUQJ-OQLLNIDSSA-N 1 2 216.284 2.751 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CCC[C@@H]1CCOC1 ZINC000840711660 587917570 /nfs/dbraw/zinc/91/75/70/587917570.db2.gz YIYKPRHMPSVPLY-JXCQQFQQSA-N 1 2 233.311 2.628 20 30 BFEDLO CCn1c[nH+]cc1C=NN[C@H]1CCCCC1(C)C ZINC000841635165 587963419 /nfs/dbraw/zinc/96/34/19/587963419.db2.gz GJPTXJRHTYBVLE-ZDUSSCGKSA-N 1 2 248.374 2.795 20 30 BFEDLO CCc1ccc(NN=Cc2c[nH+]cn2CC)cc1 ZINC000841641406 587965525 /nfs/dbraw/zinc/96/55/25/587965525.db2.gz QGWLMEKROVPHHR-UHFFFAOYSA-N 1 2 242.326 2.911 20 30 BFEDLO CCCON=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000842554873 588041953 /nfs/dbraw/zinc/04/19/53/588041953.db2.gz RKQUYUZJAUUHHM-UHFFFAOYSA-N 1 2 243.310 2.941 20 30 BFEDLO CC#CCCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845517134 588231738 /nfs/dbraw/zinc/23/17/38/588231738.db2.gz QLYRWFQVRUTUQW-CYBMUJFWSA-N 1 2 248.326 2.571 20 30 BFEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000846116781 588257916 /nfs/dbraw/zinc/25/79/16/588257916.db2.gz HODWKIYKMQHOJI-AWEZNQCLSA-N 1 2 240.306 2.567 20 30 BFEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000846116781 588257917 /nfs/dbraw/zinc/25/79/17/588257917.db2.gz HODWKIYKMQHOJI-AWEZNQCLSA-N 1 2 240.306 2.567 20 30 BFEDLO C[C@H]1CCCC[C@@H]1C=NNCCCn1cc[nH+]c1 ZINC000848417414 588381995 /nfs/dbraw/zinc/38/19/95/588381995.db2.gz YRSRZLHLYXFYCX-UONOGXRCSA-N 1 2 248.374 2.675 20 30 BFEDLO CC[C@H]1CCCCC1N=NCCCn1cc[nH+]c1 ZINC000848418549 588382150 /nfs/dbraw/zinc/38/21/50/588382150.db2.gz NLUKBXDAZGNSKB-ZDUSSCGKSA-N 1 2 248.374 2.819 20 30 BFEDLO C[C@H]1CC(N=NCCCn2cc[nH+]c2)C[C@H](C)C1 ZINC000848418224 588382525 /nfs/dbraw/zinc/38/25/25/588382525.db2.gz JWXUGVBWVDMRGI-CHWSQXEVSA-N 1 2 248.374 2.675 20 30 BFEDLO c1cn(CCCNN=C2CCCCCCC2)c[nH+]1 ZINC000848420209 588382841 /nfs/dbraw/zinc/38/28/41/588382841.db2.gz SOYAVRPQMGERKL-UHFFFAOYSA-N 1 2 248.374 2.963 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1cccc(CC)c1O ZINC000848913300 588419782 /nfs/dbraw/zinc/41/97/82/588419782.db2.gz TWNVCFPNMHTMEY-UHFFFAOYSA-N 1 2 244.338 2.856 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1cccc(CC)c1O ZINC000848913300 588419783 /nfs/dbraw/zinc/41/97/83/588419783.db2.gz TWNVCFPNMHTMEY-UHFFFAOYSA-N 1 2 244.338 2.856 20 30 BFEDLO CC[C@@H](C)CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000849170792 588459966 /nfs/dbraw/zinc/45/99/66/588459966.db2.gz ULPJIZZTOLLJIX-MBBDXHFBSA-N 1 2 237.299 2.659 20 30 BFEDLO Oc1cccc(/C=[NH+]\C[C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000849171810 588460005 /nfs/dbraw/zinc/46/00/05/588460005.db2.gz GNXNGNPODMOVQT-CXSSCSTMSA-N 1 2 245.322 2.953 20 30 BFEDLO CC[C@@H](/[NH+]=C\c1ccccc1O)C1CC1 ZINC000849172556 588460039 /nfs/dbraw/zinc/46/00/39/588460039.db2.gz UVGLOGUQZNMLQV-OJLMPMFISA-N 1 2 203.285 3.000 20 30 BFEDLO C#CC[N@H+](Cc1nsc2ccccc21)C1CC1 ZINC000851938038 588645947 /nfs/dbraw/zinc/64/59/47/588645947.db2.gz HWEFESUOEGLCEE-UHFFFAOYSA-N 1 2 242.347 2.894 20 30 BFEDLO C#CC[N@@H+](Cc1nsc2ccccc21)C1CC1 ZINC000851938038 588645948 /nfs/dbraw/zinc/64/59/48/588645948.db2.gz HWEFESUOEGLCEE-UHFFFAOYSA-N 1 2 242.347 2.894 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C2CCCC2)no1 ZINC000852100196 588662745 /nfs/dbraw/zinc/66/27/45/588662745.db2.gz FXCTZMYOYZBSTN-AWEZNQCLSA-N 1 2 247.342 2.619 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+]Cc1ncc(C(C)C)o1 ZINC000852102050 588663174 /nfs/dbraw/zinc/66/31/74/588663174.db2.gz KDLJIKJBMGAZEQ-ZDUSSCGKSA-N 1 2 220.316 2.690 20 30 BFEDLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000852320008 588678392 /nfs/dbraw/zinc/67/83/92/588678392.db2.gz UTFISMAWLLZSJU-LBPRGKRZSA-N 1 2 247.342 2.924 20 30 BFEDLO CC(C)c1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000852320008 588678393 /nfs/dbraw/zinc/67/83/93/588678393.db2.gz UTFISMAWLLZSJU-LBPRGKRZSA-N 1 2 247.342 2.924 20 30 BFEDLO CCCCCC[C@H](O)C[N@H+](CC)[C@@H](C)C#N ZINC000852645532 588693774 /nfs/dbraw/zinc/69/37/74/588693774.db2.gz GFKCZLOHCKPWMT-STQMWFEESA-N 1 2 226.364 2.552 20 30 BFEDLO CCCCCC[C@H](O)C[N@@H+](CC)[C@@H](C)C#N ZINC000852645532 588693775 /nfs/dbraw/zinc/69/37/75/588693775.db2.gz GFKCZLOHCKPWMT-STQMWFEESA-N 1 2 226.364 2.552 20 30 BFEDLO C=CCCCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477461 589292234 /nfs/dbraw/zinc/29/22/34/589292234.db2.gz MGUFEXFJWZJSLF-UHFFFAOYSA-N 1 2 240.347 2.800 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC[C@H]1CCCOC1 ZINC000864344870 589353888 /nfs/dbraw/zinc/35/38/88/589353888.db2.gz ISSOYEBUUODXKL-JXCQQFQQSA-N 1 2 233.311 2.628 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC[C@@H]1CCCOC1 ZINC000864344871 589353925 /nfs/dbraw/zinc/35/39/25/589353925.db2.gz ISSOYEBUUODXKL-XBUHWIKASA-N 1 2 233.311 2.628 20 30 BFEDLO C=C[C@H]1CCCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000865733443 589459236 /nfs/dbraw/zinc/45/92/36/589459236.db2.gz JXETYIICZCCMLS-AAEUAGOBSA-N 1 2 232.327 2.680 20 30 BFEDLO C[C@@H](O)c1ccc(NCC(C)(C)CCC#N)[nH+]c1 ZINC000865810761 589463044 /nfs/dbraw/zinc/46/30/44/589463044.db2.gz RYNKQSRDOHGMMP-LLVKDONJSA-N 1 2 247.342 2.877 20 30 BFEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866246996 589482736 /nfs/dbraw/zinc/48/27/36/589482736.db2.gz PPGWJRXLYWHAAK-QWRGUYRKSA-N 1 2 244.338 2.961 20 30 BFEDLO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866367330 589488360 /nfs/dbraw/zinc/48/83/60/589488360.db2.gz HVDUSSVZAMLDJC-LOWVWBTDSA-N 1 2 244.338 2.961 20 30 BFEDLO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1O ZINC000866378795 589488869 /nfs/dbraw/zinc/48/88/69/589488869.db2.gz AFPRNDZTNRFOAH-SYEHKZFSSA-N 1 2 242.322 2.713 20 30 BFEDLO C[C@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1O ZINC000866395927 589490008 /nfs/dbraw/zinc/49/00/08/589490008.db2.gz IHZONPDBUCNYEB-NSHDSACASA-N 1 2 242.322 2.881 20 30 BFEDLO C[C@H]1CCC[C@H](C2C[NH+](CCC#N)C2)C1 ZINC000871991071 589854325 /nfs/dbraw/zinc/85/43/25/589854325.db2.gz OGRMTYVQESZZBG-RYUDHWBXSA-N 1 2 206.333 2.658 20 30 BFEDLO C[C@H]1CCC[C@@H](C2C[NH+](CCC#N)C2)C1 ZINC000871991070 589854511 /nfs/dbraw/zinc/85/45/11/589854511.db2.gz OGRMTYVQESZZBG-NWDGAFQWSA-N 1 2 206.333 2.658 20 30 BFEDLO C[C@@H]1CCC[C@@H](C2C[NH+](CCC#N)C2)C1 ZINC000871991072 589854684 /nfs/dbraw/zinc/85/46/84/589854684.db2.gz OGRMTYVQESZZBG-VXGBXAGGSA-N 1 2 206.333 2.658 20 30 BFEDLO CC[C@H]([NH2+]CCC#N)c1cccc(OC)c1OC ZINC000872226457 589897462 /nfs/dbraw/zinc/89/74/62/589897462.db2.gz LJVIWJDKESWNBP-LBPRGKRZSA-N 1 2 248.326 2.658 20 30 BFEDLO CC1=CC[N@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876751344 590237685 /nfs/dbraw/zinc/23/76/85/590237685.db2.gz WSGXJGYNPHPIFQ-UHFFFAOYSA-N 1 2 247.729 2.759 20 30 BFEDLO CC1=CC[N@@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876751344 590237686 /nfs/dbraw/zinc/23/76/86/590237686.db2.gz WSGXJGYNPHPIFQ-UHFFFAOYSA-N 1 2 247.729 2.759 20 30 BFEDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877486541 590338655 /nfs/dbraw/zinc/33/86/55/590338655.db2.gz KMBSGRFOQTTZBF-DTORHVGOSA-N 1 2 235.718 2.589 20 30 BFEDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877486541 590338657 /nfs/dbraw/zinc/33/86/57/590338657.db2.gz KMBSGRFOQTTZBF-DTORHVGOSA-N 1 2 235.718 2.589 20 30 BFEDLO CC(C)C1C[NH+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877486576 590338765 /nfs/dbraw/zinc/33/87/65/590338765.db2.gz LCRPKXBPNMAFBG-UHFFFAOYSA-N 1 2 249.745 2.694 20 30 BFEDLO N#CC[N@H+](C[C@H]1CC2(CCC2)CO1)C1CCCC1 ZINC000878121929 590499458 /nfs/dbraw/zinc/49/94/58/590499458.db2.gz XAOBURMADWAJGF-CQSZACIVSA-N 1 2 248.370 2.714 20 30 BFEDLO N#CC[N@@H+](C[C@H]1CC2(CCC2)CO1)C1CCCC1 ZINC000878121929 590499460 /nfs/dbraw/zinc/49/94/60/590499460.db2.gz XAOBURMADWAJGF-CQSZACIVSA-N 1 2 248.370 2.714 20 30 BFEDLO C[N@H+](CCC#N)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878175469 590516358 /nfs/dbraw/zinc/51/63/58/590516358.db2.gz SGQUSMBLVMWWAM-GJZGRUSLSA-N 1 2 244.338 2.752 20 30 BFEDLO C[N@@H+](CCC#N)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878175469 590516360 /nfs/dbraw/zinc/51/63/60/590516360.db2.gz SGQUSMBLVMWWAM-GJZGRUSLSA-N 1 2 244.338 2.752 20 30 BFEDLO C=CC[N@@H+](Cc1scnc1Cl)C1CC1 ZINC000878341909 590552367 /nfs/dbraw/zinc/55/23/67/590552367.db2.gz KGZLHGUURJYSNI-UHFFFAOYSA-N 1 2 228.748 2.947 20 30 BFEDLO C=CC[N@H+](Cc1scnc1Cl)C1CC1 ZINC000878341909 590552368 /nfs/dbraw/zinc/55/23/68/590552368.db2.gz KGZLHGUURJYSNI-UHFFFAOYSA-N 1 2 228.748 2.947 20 30 BFEDLO C=CC[C@@H]([NH2+][C@H](C)c1ccccc1C)C(=O)OC ZINC000878345135 590553369 /nfs/dbraw/zinc/55/33/69/590553369.db2.gz LNCZNEUKUIRHNX-TZMCWYRMSA-N 1 2 247.338 2.763 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878516442 590584651 /nfs/dbraw/zinc/58/46/51/590584651.db2.gz FOAANCRBJUBGOV-LLVKDONJSA-N 1 2 246.354 2.643 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878516442 590584653 /nfs/dbraw/zinc/58/46/53/590584653.db2.gz FOAANCRBJUBGOV-LLVKDONJSA-N 1 2 246.354 2.643 20 30 BFEDLO CC#CC[N@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878656670 590603026 /nfs/dbraw/zinc/60/30/26/590603026.db2.gz VKQIOKSYUBXCGB-UHFFFAOYSA-N 1 2 231.217 2.754 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878656670 590603028 /nfs/dbraw/zinc/60/30/28/590603028.db2.gz VKQIOKSYUBXCGB-UHFFFAOYSA-N 1 2 231.217 2.754 20 30 BFEDLO Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CC#N)cc1 ZINC000879386507 590759449 /nfs/dbraw/zinc/75/94/49/590759449.db2.gz LEQBXFALOMKFTD-OAHLLOKOSA-N 1 2 228.339 2.916 20 30 BFEDLO Cc1ccc(C[C@@]2(C)CCC[N@H+]2CC#N)cc1 ZINC000879386507 590759450 /nfs/dbraw/zinc/75/94/50/590759450.db2.gz LEQBXFALOMKFTD-OAHLLOKOSA-N 1 2 228.339 2.916 20 30 BFEDLO C=C(CC)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879502285 590783006 /nfs/dbraw/zinc/78/30/06/590783006.db2.gz XYDOSNNMQNVDNF-SNVBAGLBSA-N 1 2 237.265 2.606 20 30 BFEDLO C=C(CC)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879502285 590783013 /nfs/dbraw/zinc/78/30/13/590783013.db2.gz XYDOSNNMQNVDNF-SNVBAGLBSA-N 1 2 237.265 2.606 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879634507 590840244 /nfs/dbraw/zinc/84/02/44/590840244.db2.gz YAPLROAKJIOSOC-OAHLLOKOSA-N 1 2 247.338 2.645 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879634507 590840245 /nfs/dbraw/zinc/84/02/45/590840245.db2.gz YAPLROAKJIOSOC-OAHLLOKOSA-N 1 2 247.338 2.645 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879631127 590840694 /nfs/dbraw/zinc/84/06/94/590840694.db2.gz KYXUHRGDTFSTJJ-HNNXBMFYSA-N 1 2 247.338 2.645 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879631127 590840698 /nfs/dbraw/zinc/84/06/98/590840698.db2.gz KYXUHRGDTFSTJJ-HNNXBMFYSA-N 1 2 247.338 2.645 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCCS1 ZINC000129346863 591282352 /nfs/dbraw/zinc/28/23/52/591282352.db2.gz VNYWLDUWWPHIAW-KAQJVSAMSA-N 1 2 221.325 2.707 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)oc1C ZINC000135039612 591975679 /nfs/dbraw/zinc/97/56/79/591975679.db2.gz JEIXGCYVDBUKKL-GFCCVEGCSA-N 1 2 206.289 2.678 20 30 BFEDLO C#C[C@H]1CC[C@H](Nc2cc[nH+]c(CC)n2)CC1 ZINC000884580229 591986503 /nfs/dbraw/zinc/98/65/03/591986503.db2.gz WKAVPJHWVUYRIF-HAQNSBGRSA-N 1 2 229.327 2.643 20 30 BFEDLO C[C@H]1CC[N@H+](CC#N)[C@@H]1c1ccccc1 ZINC000886545854 592255641 /nfs/dbraw/zinc/25/56/41/592255641.db2.gz UGBHKAYHJOTTPF-AAEUAGOBSA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@H]1CC[N@@H+](CC#N)[C@@H]1c1ccccc1 ZINC000886545854 592255645 /nfs/dbraw/zinc/25/56/45/592255645.db2.gz UGBHKAYHJOTTPF-AAEUAGOBSA-N 1 2 200.285 2.593 20 30 BFEDLO Oc1ccccc1/C=[NH+]\C[C@H]1C=CCC1 ZINC000887268285 592473403 /nfs/dbraw/zinc/47/34/03/592473403.db2.gz HVBKENMYBWSTLK-HKLRHMNMSA-N 1 2 201.269 2.777 20 30 BFEDLO CC[C@H](C)CO[NH+]=C(C)c1csc(N)n1 ZINC000308849356 631696244 /nfs/dbraw/zinc/69/62/44/631696244.db2.gz QQWZYWBOMVHIEV-ZETCQYMHSA-N 1 2 227.333 2.512 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nnc(C)s1 ZINC000934460924 631851779 /nfs/dbraw/zinc/85/17/79/631851779.db2.gz LBIYWPNATQXRFF-WCBMZHEXSA-N 1 2 223.345 2.558 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nnc(C)s1 ZINC000934460924 631851782 /nfs/dbraw/zinc/85/17/82/631851782.db2.gz LBIYWPNATQXRFF-WCBMZHEXSA-N 1 2 223.345 2.558 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(C(C)C)s1 ZINC000934461028 631853024 /nfs/dbraw/zinc/85/30/24/631853024.db2.gz VEISESXSZMRZTH-SNVBAGLBSA-N 1 2 237.372 2.812 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(C(C)C)s1 ZINC000934461028 631853026 /nfs/dbraw/zinc/85/30/26/631853026.db2.gz VEISESXSZMRZTH-SNVBAGLBSA-N 1 2 237.372 2.812 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1Cc1c(F)cncc1F ZINC000934463029 631853763 /nfs/dbraw/zinc/85/37/63/631853763.db2.gz TUBPBEKQEPANKV-VIFPVBQESA-N 1 2 224.254 2.510 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1Cc1c(F)cncc1F ZINC000934463029 631853765 /nfs/dbraw/zinc/85/37/65/631853765.db2.gz TUBPBEKQEPANKV-VIFPVBQESA-N 1 2 224.254 2.510 20 30 BFEDLO N#CCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000309571562 633203285 /nfs/dbraw/zinc/20/32/85/633203285.db2.gz NAQIVIVAXRLIDM-UHFFFAOYSA-N 1 2 218.231 2.575 20 30 BFEDLO N#CCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000306863702 635976180 /nfs/dbraw/zinc/97/61/80/635976180.db2.gz JBWPEUDIGNEUDR-JXMROGBWSA-N 1 2 233.142 2.931 20 30 BFEDLO CC[C@@H](C)CON=Cc1cccc2[nH+]ccn21 ZINC000793161094 636021974 /nfs/dbraw/zinc/02/19/74/636021974.db2.gz ZYFKNGBUJQAWTN-LLVKDONJSA-N 1 2 231.299 2.731 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000079830682 636725395 /nfs/dbraw/zinc/72/53/95/636725395.db2.gz GXOCESOBRLKAOH-LWUPOJRFSA-N 1 2 226.323 2.935 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000079830682 636725399 /nfs/dbraw/zinc/72/53/99/636725399.db2.gz GXOCESOBRLKAOH-LWUPOJRFSA-N 1 2 226.323 2.935 20 30 BFEDLO COc1ccc(C2CC2)cc1C[NH2+]CCC#N ZINC000905426827 637813096 /nfs/dbraw/zinc/81/30/96/637813096.db2.gz UZMDVWASEKPACJ-UHFFFAOYSA-N 1 2 230.311 2.576 20 30 BFEDLO C=CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906724122 638239496 /nfs/dbraw/zinc/23/94/96/638239496.db2.gz GVOFDUQLTIERDJ-SNVBAGLBSA-N 1 2 232.327 2.701 20 30 BFEDLO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)o1 ZINC000043419624 638309686 /nfs/dbraw/zinc/30/96/86/638309686.db2.gz LIQKETOPBMOFCG-UHFFFAOYSA-N 1 2 220.316 2.960 20 30 BFEDLO Cc1ccc(C[N@H+](CCC#N)CC(C)C)o1 ZINC000043419624 638309690 /nfs/dbraw/zinc/30/96/90/638309690.db2.gz LIQKETOPBMOFCG-UHFFFAOYSA-N 1 2 220.316 2.960 20 30 BFEDLO CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@H](C)C#N ZINC000931057051 640044047 /nfs/dbraw/zinc/04/40/47/640044047.db2.gz SURSPCQOTKOGRD-CHWFTXMASA-N 1 2 228.286 2.512 20 30 BFEDLO CC[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@H](C)C#N ZINC000931057051 640044052 /nfs/dbraw/zinc/04/40/52/640044052.db2.gz SURSPCQOTKOGRD-CHWFTXMASA-N 1 2 228.286 2.512 20 30 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BFEDLO COC1CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001255453625 970182871 /nfs/dbraw/zinc/18/28/71/970182871.db2.gz FXIINZOECDYOPM-RUXDESIVSA-N 1 2 238.375 2.862 20 30 BFEDLO CCC(C#N)(CC)[NH2+]C1CCC(OC)CC1 ZINC001255454562 970184514 /nfs/dbraw/zinc/18/45/14/970184514.db2.gz SCUBCEHWUUISDP-UHFFFAOYSA-N 1 2 224.348 2.616 20 30 BFEDLO Cn1c[nH+]cc1-c1ccnc2cc(C#N)ccc21 ZINC001243069715 970256733 /nfs/dbraw/zinc/25/67/33/970256733.db2.gz XDLWISHDZASEHF-UHFFFAOYSA-N 1 2 234.262 2.507 20 30 BFEDLO Cc1cc(C)c(Nc2cnccc2C#N)c[nH+]1 ZINC001213505977 970330028 /nfs/dbraw/zinc/33/00/28/970330028.db2.gz WVMUVBNWOKVRLS-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO CC[C@@H]1C[C@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001170168506 970544009 /nfs/dbraw/zinc/54/40/09/970544009.db2.gz INFSONGVDZCJPR-CHWSQXEVSA-N 1 2 236.359 2.760 20 30 BFEDLO CCCC[N@H+](CC#N)[C@@H]1CCO[C@H](CC)C1 ZINC001170235899 970611468 /nfs/dbraw/zinc/61/14/68/970611468.db2.gz PVDFELYAJCSDKN-CHWSQXEVSA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@@H]1CCO[C@H](CC)C1 ZINC001170235899 970611472 /nfs/dbraw/zinc/61/14/72/970611472.db2.gz PVDFELYAJCSDKN-CHWSQXEVSA-N 1 2 224.348 2.570 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001256048362 970626520 /nfs/dbraw/zinc/62/65/20/970626520.db2.gz LHGTUQVTXLGNII-QWRGUYRKSA-N 1 2 248.395 2.721 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001256048362 970626527 /nfs/dbraw/zinc/62/65/27/970626527.db2.gz LHGTUQVTXLGNII-QWRGUYRKSA-N 1 2 248.395 2.721 20 30 BFEDLO C=CCCCNc1[nH+]cccc1CC#N ZINC001170296799 970672754 /nfs/dbraw/zinc/67/27/54/970672754.db2.gz XNCZEPAEGSSXCK-UHFFFAOYSA-N 1 2 201.273 2.526 20 30 BFEDLO C=CCCCNc1cc(C2(C)OCCO2)cc[nH+]1 ZINC001170299052 970678135 /nfs/dbraw/zinc/67/81/35/970678135.db2.gz ZBMXDOJDXZBBLL-UHFFFAOYSA-N 1 2 248.326 2.679 20 30 BFEDLO Cc1cc(NCC(C)(C)S)[nH+]c2cc[nH]c21 ZINC001170309563 970716508 /nfs/dbraw/zinc/71/65/08/970716508.db2.gz XHYMJLDDPAJINZ-UHFFFAOYSA-N 1 2 235.356 2.992 20 30 BFEDLO C=CC[C@@H](OCc1c[nH+]cn1C)C(C)C ZINC001222600352 972594548 /nfs/dbraw/zinc/59/45/48/972594548.db2.gz NASJAEWOEWONTF-GFCCVEGCSA-N 1 2 208.305 2.537 20 30 BFEDLO Cc1cc(CO[C@@H]2CC[C@H](C#N)C2)cc(C)[nH+]1 ZINC001223422799 973059162 /nfs/dbraw/zinc/05/91/62/973059162.db2.gz PUQRRZDKSLHPIC-GXTWGEPZSA-N 1 2 230.311 2.907 20 30 BFEDLO C[C@@H](C#C[Si](C)(C)C)Oc1cc[nH+]cc1 ZINC001225295635 974369335 /nfs/dbraw/zinc/36/93/35/974369335.db2.gz MWTVOBXLQVVNLY-NSHDSACASA-N 1 2 219.360 2.730 20 30 BFEDLO C[C@@H]1CC[C@@H]([NH2+]C2(C#N)CCC2)C[C@H]1C ZINC001172357041 974627021 /nfs/dbraw/zinc/62/70/21/974627021.db2.gz AQUZYMGAAABVEP-IJLUTSLNSA-N 1 2 206.333 2.847 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@@H](C)CCOC(C)C ZINC001172438575 974794951 /nfs/dbraw/zinc/79/49/51/974794951.db2.gz AIHSTTUUBWFSBW-LBPRGKRZSA-N 1 2 226.364 2.862 20 30 BFEDLO CC(C)C[C@H](C#N)[NH2+][C@H](C)CCCC#N ZINC001172488120 974832464 /nfs/dbraw/zinc/83/24/64/974832464.db2.gz LMIZNYBMAWXMLA-VXGBXAGGSA-N 1 2 207.321 2.597 20 30 BFEDLO N#CC1C[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172557570 974870023 /nfs/dbraw/zinc/87/00/23/974870023.db2.gz QMTIYRMWYZSTJZ-CABCVRRESA-N 1 2 226.323 2.778 20 30 BFEDLO N#C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721969 974905002 /nfs/dbraw/zinc/90/50/02/974905002.db2.gz LZOOEMRJLNJDBX-IINYFYTJSA-N 1 2 246.741 2.653 20 30 BFEDLO N#C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721969 974905005 /nfs/dbraw/zinc/90/50/05/974905005.db2.gz LZOOEMRJLNJDBX-IINYFYTJSA-N 1 2 246.741 2.653 20 30 BFEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cn2ccccc2n1 ZINC001331983512 974906000 /nfs/dbraw/zinc/90/60/00/974906000.db2.gz HTNYPNFCMPTMIJ-NSHDSACASA-N 1 2 242.326 2.535 20 30 BFEDLO C=CCOC1CCC([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001173327131 975276658 /nfs/dbraw/zinc/27/66/58/975276658.db2.gz GOVCGJPVONVAQO-SHARSMKWSA-N 1 2 248.370 2.878 20 30 BFEDLO C=CCOC1CCC([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001173327131 975276666 /nfs/dbraw/zinc/27/66/66/975276666.db2.gz GOVCGJPVONVAQO-SHARSMKWSA-N 1 2 248.370 2.878 20 30 BFEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC(CC#N)CC1 ZINC001173327494 975277137 /nfs/dbraw/zinc/27/71/37/975277137.db2.gz CUBBAPRLAPHCQO-JXQTWKCFSA-N 1 2 233.359 2.987 20 30 BFEDLO CC[C@](C)(C#N)[NH2+]C1CCC(CC#N)CC1 ZINC001173330990 975280764 /nfs/dbraw/zinc/28/07/64/975280764.db2.gz YOTPUNXXADQDOX-WXRRBKDZSA-N 1 2 219.332 2.741 20 30 BFEDLO C#C[C@H](Oc1c(C)cc[nH+]c1C)C(C)C ZINC001227261511 975337625 /nfs/dbraw/zinc/33/76/25/975337625.db2.gz BFCYJDDXLJBMBK-LBPRGKRZSA-N 1 2 203.285 2.735 20 30 BFEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586612 975433775 /nfs/dbraw/zinc/43/37/75/975433775.db2.gz WNIIOMCDYQRQJZ-RUXDESIVSA-N 1 2 233.359 2.987 20 30 BFEDLO C#Cc1cc(Nc2ccc(CC)cc2)cc[nH+]1 ZINC001173869473 975816594 /nfs/dbraw/zinc/81/65/94/975816594.db2.gz QEQFKSXLPMHTMI-UHFFFAOYSA-N 1 2 222.291 2.791 20 30 BFEDLO C#Cc1cc(Nc2cc(C)sc2C)cc[nH+]1 ZINC001174421513 976673966 /nfs/dbraw/zinc/67/39/66/976673966.db2.gz TYHBMBHYZBVGMQ-UHFFFAOYSA-N 1 2 228.320 2.907 20 30 BFEDLO N#C[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000259885790 976925783 /nfs/dbraw/zinc/92/57/83/976925783.db2.gz DORXUEJJMCDZME-LLVKDONJSA-N 1 2 226.279 2.778 20 30 BFEDLO N#C[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000259885790 976925792 /nfs/dbraw/zinc/92/57/92/976925792.db2.gz DORXUEJJMCDZME-LLVKDONJSA-N 1 2 226.279 2.778 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000259885795 976926438 /nfs/dbraw/zinc/92/64/38/976926438.db2.gz DORXUEJJMCDZME-NSHDSACASA-N 1 2 226.279 2.778 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000259885795 976926443 /nfs/dbraw/zinc/92/64/43/976926443.db2.gz DORXUEJJMCDZME-NSHDSACASA-N 1 2 226.279 2.778 20 30 BFEDLO CCC#C[C@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920043 977383092 /nfs/dbraw/zinc/38/30/92/977383092.db2.gz IQYFMJZFSVNDRM-NSHDSACASA-N 1 2 243.306 2.548 20 30 BFEDLO C[C@H](CS)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084120 977471471 /nfs/dbraw/zinc/47/14/71/977471471.db2.gz XARUTQMNLAPFEN-SNVBAGLBSA-N 1 2 248.351 2.784 20 30 BFEDLO C#Cc1cc(Nc2cccc(CC)c2)cc[nH+]1 ZINC001175551737 977528467 /nfs/dbraw/zinc/52/84/67/977528467.db2.gz ZVBDLRAMZUANSY-UHFFFAOYSA-N 1 2 222.291 2.791 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cc2ccncc2[nH]1 ZINC001232093581 977893608 /nfs/dbraw/zinc/89/36/08/977893608.db2.gz DWCFWSTUSMCUMZ-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cc2ccncc2[nH]1 ZINC001232093581 977893615 /nfs/dbraw/zinc/89/36/15/977893615.db2.gz DWCFWSTUSMCUMZ-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCC[C@@H]1C#N ZINC001336797887 977970714 /nfs/dbraw/zinc/97/07/14/977970714.db2.gz NIPWZOPMXUCNRI-MFKMUULPSA-N 1 2 245.351 2.744 20 30 BFEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCC[C@@H]1C#N ZINC001336797887 977970719 /nfs/dbraw/zinc/97/07/19/977970719.db2.gz NIPWZOPMXUCNRI-MFKMUULPSA-N 1 2 245.351 2.744 20 30 BFEDLO C#Cc1cc(Nc2cccc(Cl)c2)cc[nH+]1 ZINC001176220029 978001725 /nfs/dbraw/zinc/00/17/25/978001725.db2.gz WASYNERVUKLDDA-UHFFFAOYSA-N 1 2 228.682 2.882 20 30 BFEDLO Cc1nnn([NH+]=C[C@@H]2C(C)=CCC[C@@H]2C)c1C ZINC001336983484 978105852 /nfs/dbraw/zinc/10/58/52/978105852.db2.gz XTRLRXQXEOVGGK-GXFFZTMASA-N 1 2 232.331 2.721 20 30 BFEDLO Cc1cccc(F)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001232484389 978135464 /nfs/dbraw/zinc/13/54/64/978135464.db2.gz CJRJIPCZHWAELW-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cccc(F)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001232484389 978135469 /nfs/dbraw/zinc/13/54/69/978135469.db2.gz CJRJIPCZHWAELW-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO C#CC[C@@H]1CCCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337202968 978212256 /nfs/dbraw/zinc/21/22/56/978212256.db2.gz DCUPAATWSFPIPI-GFCCVEGCSA-N 1 2 232.302 2.769 20 30 BFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001232673192 978237594 /nfs/dbraw/zinc/23/75/94/978237594.db2.gz BYCHSIGKIFJZBE-CYBMUJFWSA-N 1 2 248.301 2.588 20 30 BFEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001232673192 978237606 /nfs/dbraw/zinc/23/76/06/978237606.db2.gz BYCHSIGKIFJZBE-CYBMUJFWSA-N 1 2 248.301 2.588 20 30 BFEDLO C[C@H]1C[C@H](C)C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232678604 978244293 /nfs/dbraw/zinc/24/42/93/978244293.db2.gz JLBPKNDKJIBNOE-RYUDHWBXSA-N 1 2 244.338 2.742 20 30 BFEDLO C#CC[C@H]1CCCN(c2ccc(CC)c[nH+]2)C1 ZINC001338026806 978590663 /nfs/dbraw/zinc/59/06/63/978590663.db2.gz MLPXJAFRQKYNSK-AWEZNQCLSA-N 1 2 228.339 2.884 20 30 BFEDLO C=CC[C@@H]([NH2+]C1CC(C(C)C)C1)C(=O)OCC ZINC001339095072 978792033 /nfs/dbraw/zinc/79/20/33/978792033.db2.gz OSKMGWBTHRKUGZ-WXRRBKDZSA-N 1 2 239.359 2.518 20 30 BFEDLO C#CC[C@H](C)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588465 978865601 /nfs/dbraw/zinc/86/56/01/978865601.db2.gz ONLIANCWEIPBOE-NSHDSACASA-N 1 2 231.295 2.839 20 30 BFEDLO C=CC[N@H+](C)Cc1nccc(C)c1Cl ZINC001235583000 979101899 /nfs/dbraw/zinc/10/18/99/979101899.db2.gz DCKWSLUEQTZBLL-UHFFFAOYSA-N 1 2 210.708 2.661 20 30 BFEDLO C=CC[N@@H+](C)Cc1nccc(C)c1Cl ZINC001235583000 979101897 /nfs/dbraw/zinc/10/18/97/979101897.db2.gz DCKWSLUEQTZBLL-UHFFFAOYSA-N 1 2 210.708 2.661 20 30 BFEDLO CCCOc1ccc(C[N@H+](C)CCC#N)cc1 ZINC001204305996 979290110 /nfs/dbraw/zinc/29/01/10/979290110.db2.gz PKDFARSCNSCISJ-UHFFFAOYSA-N 1 2 232.327 2.821 20 30 BFEDLO CCCOc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001204305996 979290124 /nfs/dbraw/zinc/29/01/24/979290124.db2.gz PKDFARSCNSCISJ-UHFFFAOYSA-N 1 2 232.327 2.821 20 30 BFEDLO N#CC1(c2ccc(-c3ccc(N)[nH+]c3)cc2)CC1 ZINC001236312891 979518793 /nfs/dbraw/zinc/51/87/93/979518793.db2.gz AOGARQHQOFYMJK-UHFFFAOYSA-N 1 2 235.290 2.886 20 30 BFEDLO C[C@H](C#N)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236318367 979533755 /nfs/dbraw/zinc/53/37/55/979533755.db2.gz WITCQUQLYKQVLV-SNVBAGLBSA-N 1 2 223.279 2.958 20 30 BFEDLO COc1ccc(C)c(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001237709974 980032967 /nfs/dbraw/zinc/03/29/67/980032967.db2.gz LLFRFYDCMIUIPJ-CYBMUJFWSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1ccc(C)c(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001237709974 980032975 /nfs/dbraw/zinc/03/29/75/980032975.db2.gz LLFRFYDCMIUIPJ-CYBMUJFWSA-N 1 2 244.338 2.739 20 30 BFEDLO C=CC[N@@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237800071 980051179 /nfs/dbraw/zinc/05/11/79/980051179.db2.gz WNAWUFWQJGQDMB-UHFFFAOYSA-N 1 2 229.682 2.803 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237800071 980051192 /nfs/dbraw/zinc/05/11/92/980051192.db2.gz WNAWUFWQJGQDMB-UHFFFAOYSA-N 1 2 229.682 2.803 20 30 BFEDLO C#Cc1cc(Nc2coc3ccccc23)cc[nH+]1 ZINC001203147008 980160993 /nfs/dbraw/zinc/16/09/93/980160993.db2.gz UBQFXJBPCUOBHC-UHFFFAOYSA-N 1 2 234.258 2.975 20 30 BFEDLO C#CC[N@@H+](C)Cc1cc(C)c(Cl)cc1F ZINC001238301852 980236428 /nfs/dbraw/zinc/23/64/28/980236428.db2.gz CKGBRFXWQCNOKM-UHFFFAOYSA-N 1 2 225.694 2.853 20 30 BFEDLO C#CC[N@H+](C)Cc1cc(C)c(Cl)cc1F ZINC001238301852 980236435 /nfs/dbraw/zinc/23/64/35/980236435.db2.gz CKGBRFXWQCNOKM-UHFFFAOYSA-N 1 2 225.694 2.853 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C)sc1C ZINC001345353817 980602212 /nfs/dbraw/zinc/60/22/12/980602212.db2.gz CCOFYMYCLNTENN-UHFFFAOYSA-N 1 2 222.357 2.604 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C)sc1C ZINC001345353817 980602214 /nfs/dbraw/zinc/60/22/14/980602214.db2.gz CCOFYMYCLNTENN-UHFFFAOYSA-N 1 2 222.357 2.604 20 30 BFEDLO CN(C)c1cc(-c2ccc(C#N)c(F)c2)cc[nH+]1 ZINC001240151745 981149952 /nfs/dbraw/zinc/14/99/52/981149952.db2.gz IQNLOMGKTXKMBN-UHFFFAOYSA-N 1 2 241.269 2.825 20 30 BFEDLO Cc1cc(C#N)cnc1-c1ccc2[nH+]ccn2c1 ZINC001240213537 981161986 /nfs/dbraw/zinc/16/19/86/981161986.db2.gz DHWFSOXYGSKOPJ-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1cc(-c2ccc3[nH+]ccn3c2)nc(C)c1C#N ZINC001240217659 981165861 /nfs/dbraw/zinc/16/58/61/981165861.db2.gz TWNDHAFOFRZKGR-UHFFFAOYSA-N 1 2 248.289 2.885 20 30 BFEDLO C=CCOC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001194280995 981609207 /nfs/dbraw/zinc/60/92/07/981609207.db2.gz JZKXWNFOYJJMAB-UHFFFAOYSA-N 1 2 243.266 2.607 20 30 BFEDLO COc1cc(C#N)ccc1-c1cccc2[nH+]ccn21 ZINC001241404585 982555807 /nfs/dbraw/zinc/55/58/07/982555807.db2.gz QVALXBQRHABJAD-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO N#Cc1cc(Nc2ccc(N)[nH+]c2)cc(F)c1F ZINC001201292483 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CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615651771 398271859 /nfs/dbraw/zinc/27/18/59/398271859.db2.gz VJKBJKMCAIFFIH-IHRRRGAJSA-N 1 2 236.334 2.916 20 30 BFEDLO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@](F)(C#N)C1 ZINC000615651771 398271860 /nfs/dbraw/zinc/27/18/60/398271860.db2.gz VJKBJKMCAIFFIH-IHRRRGAJSA-N 1 2 236.334 2.916 20 30 BFEDLO CCC(CC)CN(CCC#N)Cc1[nH]cc(C)[nH+]1 ZINC000600118046 342674462 /nfs/dbraw/zinc/67/44/62/342674462.db2.gz PXAJESHLCJPTIJ-UHFFFAOYSA-N 1 2 248.374 2.870 20 30 BFEDLO Cc1[nH]c(CN(CCC#N)CCC(C)C)[nH+]c1C ZINC000600118254 342674805 /nfs/dbraw/zinc/67/48/05/342674805.db2.gz UMWAHDYTMAILMI-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC#N)C1 ZINC000285550208 342719610 /nfs/dbraw/zinc/71/96/10/342719610.db2.gz GKJNBQXZABYKOV-AAEUAGOBSA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC#N)C1 ZINC000285550208 342719611 /nfs/dbraw/zinc/71/96/11/342719611.db2.gz GKJNBQXZABYKOV-AAEUAGOBSA-N 1 2 200.285 2.593 20 30 BFEDLO C[N@H+](Cc1ccccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000042436787 342775460 /nfs/dbraw/zinc/77/54/60/342775460.db2.gz YDCOXOIUJLXEBB-BXUZGUMPSA-N 1 2 232.302 2.950 20 30 BFEDLO C[N@@H+](Cc1ccccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000042436787 342775461 /nfs/dbraw/zinc/77/54/61/342775461.db2.gz YDCOXOIUJLXEBB-BXUZGUMPSA-N 1 2 232.302 2.950 20 30 BFEDLO CC#CC[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000607727873 342782766 /nfs/dbraw/zinc/78/27/66/342782766.db2.gz YNSWSNNHOHPISL-UHFFFAOYSA-N 1 2 247.342 2.540 20 30 BFEDLO Cc1[nH+]cccc1NC[C@@H](C)CCC#N ZINC000602574325 349623417 /nfs/dbraw/zinc/62/34/17/349623417.db2.gz JDMKBFWFPNZDEB-JTQLQIEISA-N 1 2 203.289 2.742 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C)cc1F ZINC000602610673 349634615 /nfs/dbraw/zinc/63/46/15/349634615.db2.gz ILMIJAXAOVXJBF-GFCCVEGCSA-N 1 2 220.291 2.916 20 30 BFEDLO CC[C@H]([NH2+]C[C@@H](C)CCC#N)C(F)(F)F ZINC000602628014 349664240 /nfs/dbraw/zinc/66/42/40/349664240.db2.gz ADNNVAFJJYALIO-IUCAKERBSA-N 1 2 222.254 2.857 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccns2)CCCCC1 ZINC000602719106 349695454 /nfs/dbraw/zinc/69/54/54/349695454.db2.gz WWKRXTDURFZNHQ-UHFFFAOYSA-N 1 2 235.356 2.707 20 30 BFEDLO CC(C)n1cc[nH+]c1CN(CCC#N)CC1CC1 ZINC000176258230 346907691 /nfs/dbraw/zinc/90/76/91/346907691.db2.gz BZNCBXNVNMLFFY-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO COCc1cc[nH+]c(NC[C@H](C)CCC#N)c1 ZINC000602708843 349702186 /nfs/dbraw/zinc/70/21/86/349702186.db2.gz YLMRLGUVHZTFPW-LLVKDONJSA-N 1 2 233.315 2.580 20 30 BFEDLO C=C(C)C[C@@H]([NH2+]Cc1ccccc1C)C(=O)OC ZINC000602730664 349717190 /nfs/dbraw/zinc/71/71/90/349717190.db2.gz DHZHJIVVRODQKF-CQSZACIVSA-N 1 2 247.338 2.592 20 30 BFEDLO CCCc1ccc(C[N@H+](C)CCC#N)cc1 ZINC000177188849 346923476 /nfs/dbraw/zinc/92/34/76/346923476.db2.gz YPSCOEMDVDFGEI-UHFFFAOYSA-N 1 2 216.328 2.985 20 30 BFEDLO CCCc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000177188849 346923477 /nfs/dbraw/zinc/92/34/77/346923477.db2.gz YPSCOEMDVDFGEI-UHFFFAOYSA-N 1 2 216.328 2.985 20 30 BFEDLO C=C1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000265314403 187235037 /nfs/dbraw/zinc/23/50/37/187235037.db2.gz GAHPLOKACNYYAJ-UHFFFAOYSA-N 1 2 219.332 2.616 20 30 BFEDLO C#CC[N@H+](Cc1cc(-c2ccco2)on1)C1CC1 ZINC000274145431 187237630 /nfs/dbraw/zinc/23/76/30/187237630.db2.gz KHKPRCKXPFGZDP-UHFFFAOYSA-N 1 2 242.278 2.532 20 30 BFEDLO C#CC[N@@H+](Cc1cc(-c2ccco2)on1)C1CC1 ZINC000274145431 187237632 /nfs/dbraw/zinc/23/76/32/187237632.db2.gz KHKPRCKXPFGZDP-UHFFFAOYSA-N 1 2 242.278 2.532 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000271759240 136282667 /nfs/dbraw/zinc/28/26/67/136282667.db2.gz XYJIEUSXUCRBKB-VIFPVBQESA-N 1 2 238.718 2.637 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000271759240 136282668 /nfs/dbraw/zinc/28/26/68/136282668.db2.gz XYJIEUSXUCRBKB-VIFPVBQESA-N 1 2 238.718 2.637 20 30 BFEDLO Cc1ccc(CCC[N@H+](CC#N)C2CC2)cc1 ZINC000273084939 136283185 /nfs/dbraw/zinc/28/31/85/136283185.db2.gz YOVFQVBMEYASEY-UHFFFAOYSA-N 1 2 228.339 2.916 20 30 BFEDLO Cc1ccc(CCC[N@@H+](CC#N)C2CC2)cc1 ZINC000273084939 136283186 /nfs/dbraw/zinc/28/31/86/136283186.db2.gz YOVFQVBMEYASEY-UHFFFAOYSA-N 1 2 228.339 2.916 20 30 BFEDLO CC(C)C[N@@H+](CC#N)CCc1ccccc1 ZINC000299262036 136291642 /nfs/dbraw/zinc/29/16/42/136291642.db2.gz GGIIRUPRFWMIOY-UHFFFAOYSA-N 1 2 216.328 2.711 20 30 BFEDLO CC(C)C[N@H+](CC#N)CCc1ccccc1 ZINC000299262036 136291643 /nfs/dbraw/zinc/29/16/43/136291643.db2.gz GGIIRUPRFWMIOY-UHFFFAOYSA-N 1 2 216.328 2.711 20 30 BFEDLO Cc1ccc(F)c(C[NH2+][C@@H](C)CC#N)c1 ZINC000134970560 343325500 /nfs/dbraw/zinc/32/55/00/343325500.db2.gz HRSRWJJTFYEVJW-JTQLQIEISA-N 1 2 206.264 2.526 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccc(F)cc1Cl ZINC000134971059 343325556 /nfs/dbraw/zinc/32/55/56/343325556.db2.gz JSJSAYBVUKUKRV-MRVPVSSYSA-N 1 2 226.682 2.871 20 30 BFEDLO C#CC[N@@H+](Cc1cc(F)ccc1F)C1CC1 ZINC000274247755 187337838 /nfs/dbraw/zinc/33/78/38/187337838.db2.gz ZARJNMXKDLQKDQ-UHFFFAOYSA-N 1 2 221.250 2.562 20 30 BFEDLO C#CC[N@H+](Cc1cc(F)ccc1F)C1CC1 ZINC000274247755 187337839 /nfs/dbraw/zinc/33/78/39/187337839.db2.gz ZARJNMXKDLQKDQ-UHFFFAOYSA-N 1 2 221.250 2.562 20 30 BFEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccon1 ZINC000349245459 136332648 /nfs/dbraw/zinc/33/26/48/136332648.db2.gz RJXGBELCQMMWHB-QWRGUYRKSA-N 1 2 241.294 2.958 20 30 BFEDLO N#CC1(C[NH2+]Cc2cscc2Cl)CC1 ZINC000379572920 343576564 /nfs/dbraw/zinc/57/65/64/343576564.db2.gz HNPHWPMGWMFIFB-UHFFFAOYSA-N 1 2 226.732 2.795 20 30 BFEDLO COCC[N@H+](CCC#N)Cc1ccc(C)c(C)c1 ZINC000071230863 343636634 /nfs/dbraw/zinc/63/66/34/343636634.db2.gz YTYGUMBXOVJQEV-UHFFFAOYSA-N 1 2 246.354 2.666 20 30 BFEDLO COCC[N@@H+](CCC#N)Cc1ccc(C)c(C)c1 ZINC000071230863 343636637 /nfs/dbraw/zinc/63/66/37/343636637.db2.gz YTYGUMBXOVJQEV-UHFFFAOYSA-N 1 2 246.354 2.666 20 30 BFEDLO CCc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)nc1 ZINC000602982009 349832399 /nfs/dbraw/zinc/83/23/99/349832399.db2.gz MIGLOTAXJURKTO-ZFWWWQNUSA-N 1 2 243.354 2.768 20 30 BFEDLO CCc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)nc1 ZINC000602982009 349832403 /nfs/dbraw/zinc/83/24/03/349832403.db2.gz MIGLOTAXJURKTO-ZFWWWQNUSA-N 1 2 243.354 2.768 20 30 BFEDLO C=C[C@](C)(CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573534 192364165 /nfs/dbraw/zinc/36/41/65/192364165.db2.gz BAQCFDNBAFYHNY-OAHLLOKOSA-N 1 2 246.354 2.917 20 30 BFEDLO COc1ccccc1C[C@H]([NH2+][C@H](C)C#N)C(C)C ZINC000178397978 346954248 /nfs/dbraw/zinc/95/42/48/346954248.db2.gz HNHHNOZKXFPQBV-OCCSQVGLSA-N 1 2 246.354 2.764 20 30 BFEDLO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602979272 349844242 /nfs/dbraw/zinc/84/42/42/349844242.db2.gz BOJROFHCFXJPGF-JKSUJKDBSA-N 1 2 238.334 2.662 20 30 BFEDLO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602979272 349844243 /nfs/dbraw/zinc/84/42/43/349844243.db2.gz BOJROFHCFXJPGF-JKSUJKDBSA-N 1 2 238.334 2.662 20 30 BFEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000625701649 344052376 /nfs/dbraw/zinc/05/23/76/344052376.db2.gz BBUCXHDRFJOJIB-NSHDSACASA-N 1 2 235.331 2.591 20 30 BFEDLO C=CC[C@H]1CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000625701649 344052379 /nfs/dbraw/zinc/05/23/79/344052379.db2.gz BBUCXHDRFJOJIB-NSHDSACASA-N 1 2 235.331 2.591 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc(F)ccc1C#N ZINC000160420322 323066156 /nfs/dbraw/zinc/06/61/56/323066156.db2.gz NIBDLHUXNNUVOJ-UHFFFAOYSA-N 1 2 230.286 2.871 20 30 BFEDLO COc1cc(Cl)ccc1C[NH2+][C@H](C)CC#N ZINC000067407537 344210434 /nfs/dbraw/zinc/21/04/34/344210434.db2.gz KNNWHQPNUXZADU-SECBINFHSA-N 1 2 238.718 2.740 20 30 BFEDLO Cc1ncc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)s1 ZINC000400097420 344303109 /nfs/dbraw/zinc/30/31/09/344303109.db2.gz XFPRENHKZBSGSO-JQWIXIFHSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1ncc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)s1 ZINC000400097420 344303110 /nfs/dbraw/zinc/30/31/10/344303110.db2.gz XFPRENHKZBSGSO-JQWIXIFHSA-N 1 2 235.356 2.576 20 30 BFEDLO CCCCCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000112646661 344648746 /nfs/dbraw/zinc/64/87/46/344648746.db2.gz FTNQHBIGQBSGEM-UHFFFAOYSA-N 1 2 237.347 2.777 20 30 BFEDLO N#CCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000115559732 344711574 /nfs/dbraw/zinc/71/15/74/344711574.db2.gz CUEMJTOWYYJMRJ-ZDUSSCGKSA-N 1 2 232.352 2.690 20 30 BFEDLO N#CCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000115559732 344711575 /nfs/dbraw/zinc/71/15/75/344711575.db2.gz CUEMJTOWYYJMRJ-ZDUSSCGKSA-N 1 2 232.352 2.690 20 30 BFEDLO N#CCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115559735 344711624 /nfs/dbraw/zinc/71/16/24/344711624.db2.gz CUEMJTOWYYJMRJ-CYBMUJFWSA-N 1 2 232.352 2.690 20 30 BFEDLO N#CCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115559735 344711626 /nfs/dbraw/zinc/71/16/26/344711626.db2.gz CUEMJTOWYYJMRJ-CYBMUJFWSA-N 1 2 232.352 2.690 20 30 BFEDLO N#Cc1ccc(CNc2cccc[nH+]2)cc1 ZINC000037489183 187292739 /nfs/dbraw/zinc/29/27/39/187292739.db2.gz IGYOWYHQEDUXIC-UHFFFAOYSA-N 1 2 209.252 2.565 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046856619 187293847 /nfs/dbraw/zinc/29/38/47/187293847.db2.gz CKTCBSOYNBYBMI-UHFFFAOYSA-N 1 2 220.703 2.743 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000046856619 187293848 /nfs/dbraw/zinc/29/38/48/187293848.db2.gz CKTCBSOYNBYBMI-UHFFFAOYSA-N 1 2 220.703 2.743 20 30 BFEDLO N#CCCSCCc1[nH]c2ccccc2[nH+]1 ZINC000603334777 349926454 /nfs/dbraw/zinc/92/64/54/349926454.db2.gz OVBLXIRVOGAHCJ-UHFFFAOYSA-N 1 2 231.324 2.752 20 30 BFEDLO N#CCC[C@H](C#N)C[N@@H+]1CCc2ccsc2C1 ZINC000132810513 345346559 /nfs/dbraw/zinc/34/65/59/345346559.db2.gz WOOUFXSVSHWEJZ-LLVKDONJSA-N 1 2 245.351 2.550 20 30 BFEDLO N#CCC[C@H](C#N)C[N@H+]1CCc2ccsc2C1 ZINC000132810513 345346561 /nfs/dbraw/zinc/34/65/61/345346561.db2.gz WOOUFXSVSHWEJZ-LLVKDONJSA-N 1 2 245.351 2.550 20 30 BFEDLO Cc1[nH+]ccc(N(C)C[C@@H](C)C#N)c1Cl ZINC000335557892 345394637 /nfs/dbraw/zinc/39/46/37/345394637.db2.gz LHDWULNOCISVRX-QMMMGPOBSA-N 1 2 223.707 2.639 20 30 BFEDLO CC[C@H](CC#N)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000581378108 345943010 /nfs/dbraw/zinc/94/30/10/345943010.db2.gz YURGYMYDKJKJCJ-CQSZACIVSA-N 1 2 246.741 2.973 20 30 BFEDLO N#CC[N@H+](CCOCC1CCC1)C1CCCC1 ZINC000419196902 192101413 /nfs/dbraw/zinc/10/14/13/192101413.db2.gz ADVYLTLBHPYGET-UHFFFAOYSA-N 1 2 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/nfs/dbraw/zinc/80/39/00/353803900.db2.gz POTJQCGCVJFFNV-GFCCVEGCSA-N 1 2 236.384 2.613 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846676 353817850 /nfs/dbraw/zinc/81/78/50/353817850.db2.gz PKFCSTXETBXBOU-CQSZACIVSA-N 1 2 235.302 2.775 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846676 353817851 /nfs/dbraw/zinc/81/78/51/353817851.db2.gz PKFCSTXETBXBOU-CQSZACIVSA-N 1 2 235.302 2.775 20 30 BFEDLO Cc1cc(NC(=O)c2ccc(C#N)cc2)cc[nH+]1 ZINC000010163119 353788814 /nfs/dbraw/zinc/78/88/14/353788814.db2.gz IFNHNGSHEBBVOE-UHFFFAOYSA-N 1 2 237.262 2.514 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1[N+](=O)[O-] ZINC000343604591 353931606 /nfs/dbraw/zinc/93/16/06/353931606.db2.gz LEIZTZPSRPGDFY-SNVBAGLBSA-N 1 2 245.282 2.549 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(F)c1F ZINC000343584306 353939962 /nfs/dbraw/zinc/93/99/62/353939962.db2.gz NZPZOFPALHRGCQ-SECBINFHSA-N 1 2 236.265 2.919 20 30 BFEDLO C=CCOc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000578007026 366174565 /nfs/dbraw/zinc/17/45/65/366174565.db2.gz GNGFHKLUPBJJEP-UHFFFAOYSA-N 1 2 242.322 2.645 20 30 BFEDLO N#C[C@@H]1[N@H+](CCC2CC2)CCC[C@@]12CCCCO2 ZINC000334622443 354360369 /nfs/dbraw/zinc/36/03/69/354360369.db2.gz ZQBUYHRKDCSHOM-GJZGRUSLSA-N 1 2 248.370 2.714 20 30 BFEDLO N#C[C@@H]1[N@@H+](CCC2CC2)CCC[C@@]12CCCCO2 ZINC000334622443 354360373 /nfs/dbraw/zinc/36/03/73/354360373.db2.gz ZQBUYHRKDCSHOM-GJZGRUSLSA-N 1 2 248.370 2.714 20 30 BFEDLO C=C(C)CC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000336498654 191306115 /nfs/dbraw/zinc/30/61/15/191306115.db2.gz SQQXQPPUJRDBCE-GJZGRUSLSA-N 1 2 248.370 2.880 20 30 BFEDLO C=C(C)CC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000336498654 191306117 /nfs/dbraw/zinc/30/61/17/191306117.db2.gz SQQXQPPUJRDBCE-GJZGRUSLSA-N 1 2 248.370 2.880 20 30 BFEDLO C=C[C@H]1CCCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000413274534 191368352 /nfs/dbraw/zinc/36/83/52/191368352.db2.gz WJLIQRSECYWPAE-LBPRGKRZSA-N 1 2 244.342 2.596 20 30 BFEDLO C=C[C@H]1CCCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000413274534 191368355 /nfs/dbraw/zinc/36/83/55/191368355.db2.gz WJLIQRSECYWPAE-LBPRGKRZSA-N 1 2 244.342 2.596 20 30 BFEDLO C[N@H+](CC#Cc1ccccc1)Cc1ccco1 ZINC000005342818 355356269 /nfs/dbraw/zinc/35/62/69/355356269.db2.gz GPMJGFWLEWAXNU-UHFFFAOYSA-N 1 2 225.291 2.763 20 30 BFEDLO C[N@@H+](CC#Cc1ccccc1)Cc1ccco1 ZINC000005342818 355356273 /nfs/dbraw/zinc/35/62/73/355356273.db2.gz GPMJGFWLEWAXNU-UHFFFAOYSA-N 1 2 225.291 2.763 20 30 BFEDLO C[N@H+](CC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000335810716 355495417 /nfs/dbraw/zinc/49/54/17/355495417.db2.gz CQIXSLVHEYGEON-DTORHVGOSA-N 1 2 220.238 2.563 20 30 BFEDLO C[N@@H+](CC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000335810716 355495422 /nfs/dbraw/zinc/49/54/22/355495422.db2.gz CQIXSLVHEYGEON-DTORHVGOSA-N 1 2 220.238 2.563 20 30 BFEDLO Cc1cc2[nH+]cn(CC3(C#N)CC3)c2cc1C ZINC000335858828 355604006 /nfs/dbraw/zinc/60/40/06/355604006.db2.gz BEAJJLKFPGVJPG-UHFFFAOYSA-N 1 2 225.295 2.957 20 30 BFEDLO C=CC[N@@H+](Cc1ncc(CC)s1)C1CC1 ZINC000350224705 355652190 /nfs/dbraw/zinc/65/21/90/355652190.db2.gz OELGRTSHRSNRAP-UHFFFAOYSA-N 1 2 222.357 2.856 20 30 BFEDLO C=CC[N@H+](Cc1ncc(CC)s1)C1CC1 ZINC000350224705 355652193 /nfs/dbraw/zinc/65/21/93/355652193.db2.gz OELGRTSHRSNRAP-UHFFFAOYSA-N 1 2 222.357 2.856 20 30 BFEDLO C=CCC1(C(=O)Nc2cc[nH+]cc2C)CCCC1 ZINC000449851041 202046374 /nfs/dbraw/zinc/04/63/74/202046374.db2.gz UOZYFKCCRZHQMK-UHFFFAOYSA-N 1 2 244.338 2.887 20 30 BFEDLO CC1(C)CCC[N@H+](CCCCF)[C@@H]1C#N ZINC000352401811 134143407 /nfs/dbraw/zinc/14/34/07/134143407.db2.gz JHRTUNCZGDWGIB-LLVKDONJSA-N 1 2 212.312 2.750 20 30 BFEDLO CC1(C)CCC[N@@H+](CCCCF)[C@@H]1C#N ZINC000352401811 134143408 /nfs/dbraw/zinc/14/34/08/134143408.db2.gz JHRTUNCZGDWGIB-LLVKDONJSA-N 1 2 212.312 2.750 20 30 BFEDLO N#CC[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000352741531 134151657 /nfs/dbraw/zinc/15/16/57/134151657.db2.gz HGQXNSMTLPKNKB-UKRRQHHQSA-N 1 2 226.323 2.778 20 30 BFEDLO N#CC[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000352741531 134151658 /nfs/dbraw/zinc/15/16/58/134151658.db2.gz HGQXNSMTLPKNKB-UKRRQHHQSA-N 1 2 226.323 2.778 20 30 BFEDLO C[N@H+](CCC(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000088420151 356674811 /nfs/dbraw/zinc/67/48/11/356674811.db2.gz DBAGZHUIWAPSNT-BDAKNGLRSA-N 1 2 220.238 2.563 20 30 BFEDLO C[N@@H+](CCC(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000088420151 356674814 /nfs/dbraw/zinc/67/48/14/356674814.db2.gz DBAGZHUIWAPSNT-BDAKNGLRSA-N 1 2 220.238 2.563 20 30 BFEDLO C=CCN(Cc1ccccc1)c1cc(C)[nH+]cn1 ZINC000302045444 134157067 /nfs/dbraw/zinc/15/70/67/134157067.db2.gz MWBMRMDRBMPRCR-UHFFFAOYSA-N 1 2 239.322 2.978 20 30 BFEDLO C=CCCC[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450422928 202162516 /nfs/dbraw/zinc/16/25/16/202162516.db2.gz OAHJKNNNBRAYEA-UHFFFAOYSA-N 1 2 237.372 2.814 20 30 BFEDLO C=CCCC[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450422928 202162518 /nfs/dbraw/zinc/16/25/18/202162518.db2.gz OAHJKNNNBRAYEA-UHFFFAOYSA-N 1 2 237.372 2.814 20 30 BFEDLO C=CC[N@@H+](CC(F)(F)CC)[C@H](C)COC ZINC000639784215 356735458 /nfs/dbraw/zinc/73/54/58/356735458.db2.gz ANFNSNIAZRBGEI-SNVBAGLBSA-N 1 2 221.291 2.555 20 30 BFEDLO C=CC[N@H+](CC(F)(F)CC)[C@H](C)COC ZINC000639784215 356735461 /nfs/dbraw/zinc/73/54/61/356735461.db2.gz ANFNSNIAZRBGEI-SNVBAGLBSA-N 1 2 221.291 2.555 20 30 BFEDLO C=CC[C@@H](CC)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000354782205 134169773 /nfs/dbraw/zinc/16/97/73/134169773.db2.gz IZWPUGUJSFNVGZ-KGLIPLIRSA-N 1 2 247.338 2.845 20 30 BFEDLO COc1ccc(C[NH2+]C[C@@H](C)C#N)c(Cl)c1 ZINC000390542075 357103131 /nfs/dbraw/zinc/10/31/31/357103131.db2.gz LSGXPAXMLYSKSO-VIFPVBQESA-N 1 2 238.718 2.598 20 30 BFEDLO CC(C)c1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000390080047 357082217 /nfs/dbraw/zinc/08/22/17/357082217.db2.gz AVVQOVMAFCIZBK-UHFFFAOYSA-N 1 2 235.356 2.660 20 30 BFEDLO CC[N@H+](CC#N)C[C@H](C)Cc1ccccc1 ZINC000360882370 134202611 /nfs/dbraw/zinc/20/26/11/134202611.db2.gz DQFUFKCZMHEPIH-CYBMUJFWSA-N 1 2 216.328 2.711 20 30 BFEDLO CC[N@@H+](CC#N)C[C@H](C)Cc1ccccc1 ZINC000360882370 134202612 /nfs/dbraw/zinc/20/26/12/134202612.db2.gz DQFUFKCZMHEPIH-CYBMUJFWSA-N 1 2 216.328 2.711 20 30 BFEDLO C=C1CC[NH+]([C@@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000361830285 134207726 /nfs/dbraw/zinc/20/77/26/134207726.db2.gz PUAMNXWBXMAESO-LBPRGKRZSA-N 1 2 239.359 2.759 20 30 BFEDLO C=CC[N@@H+](CCOC)Cc1cc(F)ccc1F ZINC000191756975 357794254 /nfs/dbraw/zinc/79/42/54/357794254.db2.gz YHYWKHAZUHWBCK-UHFFFAOYSA-N 1 2 241.281 2.599 20 30 BFEDLO C=CC[N@H+](CCOC)Cc1cc(F)ccc1F ZINC000191756975 357794255 /nfs/dbraw/zinc/79/42/55/357794255.db2.gz YHYWKHAZUHWBCK-UHFFFAOYSA-N 1 2 241.281 2.599 20 30 BFEDLO CCC[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000192132700 357824162 /nfs/dbraw/zinc/82/41/62/357824162.db2.gz QSKYJKGUXKOKFW-MRXNPFEDSA-N 1 2 243.350 2.539 20 30 BFEDLO CCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000192132700 357824166 /nfs/dbraw/zinc/82/41/66/357824166.db2.gz QSKYJKGUXKOKFW-MRXNPFEDSA-N 1 2 243.350 2.539 20 30 BFEDLO C=CC[N@@H+](CCOC)Cc1cccc(F)c1F ZINC000191762815 357795088 /nfs/dbraw/zinc/79/50/88/357795088.db2.gz WRSQXJOIMSZQAF-UHFFFAOYSA-N 1 2 241.281 2.599 20 30 BFEDLO C=CC[N@H+](CCOC)Cc1cccc(F)c1F ZINC000191762815 357795090 /nfs/dbraw/zinc/79/50/90/357795090.db2.gz WRSQXJOIMSZQAF-UHFFFAOYSA-N 1 2 241.281 2.599 20 30 BFEDLO CC#CC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192296763 357827772 /nfs/dbraw/zinc/82/77/72/357827772.db2.gz IVTGROMBCAUXQI-UHFFFAOYSA-N 1 2 235.277 2.953 20 30 BFEDLO CC#CC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192296763 357827778 /nfs/dbraw/zinc/82/77/78/357827778.db2.gz IVTGROMBCAUXQI-UHFFFAOYSA-N 1 2 235.277 2.953 20 30 BFEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CCC#N)s1 ZINC000122214138 134238149 /nfs/dbraw/zinc/23/81/49/134238149.db2.gz NUSXKEQVRDUVDH-JTQLQIEISA-N 1 2 237.372 2.920 20 30 BFEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CCC#N)s1 ZINC000122214138 134238150 /nfs/dbraw/zinc/23/81/50/134238150.db2.gz NUSXKEQVRDUVDH-JTQLQIEISA-N 1 2 237.372 2.920 20 30 BFEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccon1 ZINC000349831932 357983880 /nfs/dbraw/zinc/98/38/80/357983880.db2.gz IPTUCSFYKRTESB-GHMZBOCLSA-N 1 2 241.294 2.958 20 30 BFEDLO CC(C)(C)OCCC[N@H+](CC#N)C1CCCC1 ZINC000610682015 358077113 /nfs/dbraw/zinc/07/71/13/358077113.db2.gz VSQMZBSLQGNLNM-UHFFFAOYSA-N 1 2 238.375 2.960 20 30 BFEDLO CC(C)(C)OCCC[N@@H+](CC#N)C1CCCC1 ZINC000610682015 358077114 /nfs/dbraw/zinc/07/71/14/358077114.db2.gz VSQMZBSLQGNLNM-UHFFFAOYSA-N 1 2 238.375 2.960 20 30 BFEDLO C[C@H](c1ccncc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450630914 202218113 /nfs/dbraw/zinc/21/81/13/202218113.db2.gz VKUZVEIGIOFYFV-GFCCVEGCSA-N 1 2 229.327 2.768 20 30 BFEDLO C[C@H](c1ccncc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450630914 202218115 /nfs/dbraw/zinc/21/81/15/202218115.db2.gz VKUZVEIGIOFYFV-GFCCVEGCSA-N 1 2 229.327 2.768 20 30 BFEDLO CC#CC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000173831219 134278014 /nfs/dbraw/zinc/27/80/14/134278014.db2.gz KSQVUYHHPQPSJR-GOEBONIOSA-N 1 2 243.350 2.780 20 30 BFEDLO CC#CC[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000173831219 134278015 /nfs/dbraw/zinc/27/80/15/134278015.db2.gz KSQVUYHHPQPSJR-GOEBONIOSA-N 1 2 243.350 2.780 20 30 BFEDLO Cc1ccccc1C[N@H+](CCC#N)C1CC1 ZINC000042359541 358522275 /nfs/dbraw/zinc/52/22/75/358522275.db2.gz MXCIJTBNKLGAIN-UHFFFAOYSA-N 1 2 214.312 2.873 20 30 BFEDLO Cc1ccccc1C[N@@H+](CCC#N)C1CC1 ZINC000042359541 358522279 /nfs/dbraw/zinc/52/22/79/358522279.db2.gz MXCIJTBNKLGAIN-UHFFFAOYSA-N 1 2 214.312 2.873 20 30 BFEDLO CC[N@H+](CC#Cc1ccccc1)C[C@@H](C)C#N ZINC000051814459 358763395 /nfs/dbraw/zinc/76/33/95/358763395.db2.gz KAQIHTPZYNTYGM-AWEZNQCLSA-N 1 2 226.323 2.520 20 30 BFEDLO CC[N@@H+](CC#Cc1ccccc1)C[C@@H](C)C#N ZINC000051814459 358763396 /nfs/dbraw/zinc/76/33/96/358763396.db2.gz KAQIHTPZYNTYGM-AWEZNQCLSA-N 1 2 226.323 2.520 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)ccc1F ZINC000135040040 358818131 /nfs/dbraw/zinc/81/81/31/358818131.db2.gz PZTJXRAHPGCSJO-LBPRGKRZSA-N 1 2 220.291 2.916 20 30 BFEDLO N#CC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000135358892 358833371 /nfs/dbraw/zinc/83/33/71/358833371.db2.gz KWDOFNSLZNVJRL-HNNXBMFYSA-N 1 2 228.339 2.997 20 30 BFEDLO N#CC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000135358892 358833377 /nfs/dbraw/zinc/83/33/77/358833377.db2.gz KWDOFNSLZNVJRL-HNNXBMFYSA-N 1 2 228.339 2.997 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1nccc2ccccc21 ZINC000611260998 359276195 /nfs/dbraw/zinc/27/61/95/359276195.db2.gz ZLLJOSVLXBXVFW-LBPRGKRZSA-N 1 2 239.322 2.826 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1nccc2ccccc21 ZINC000611260998 359276201 /nfs/dbraw/zinc/27/62/01/359276201.db2.gz ZLLJOSVLXBXVFW-LBPRGKRZSA-N 1 2 239.322 2.826 20 30 BFEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1F ZINC000611501966 359385396 /nfs/dbraw/zinc/38/53/96/359385396.db2.gz LETYZZSUJRMBBC-BXUZGUMPSA-N 1 2 232.302 2.738 20 30 BFEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1F ZINC000611501966 359385397 /nfs/dbraw/zinc/38/53/97/359385397.db2.gz LETYZZSUJRMBBC-BXUZGUMPSA-N 1 2 232.302 2.738 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000612159506 359710487 /nfs/dbraw/zinc/71/04/87/359710487.db2.gz VKMQYGULDILWDS-OAHLLOKOSA-N 1 2 239.322 2.684 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000612159506 359710490 /nfs/dbraw/zinc/71/04/90/359710490.db2.gz VKMQYGULDILWDS-OAHLLOKOSA-N 1 2 239.322 2.684 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000612160650 359711629 /nfs/dbraw/zinc/71/16/29/359711629.db2.gz KODMRPBKTFNKSY-HNNXBMFYSA-N 1 2 239.322 2.684 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000612160650 359711636 /nfs/dbraw/zinc/71/16/36/359711636.db2.gz KODMRPBKTFNKSY-HNNXBMFYSA-N 1 2 239.322 2.684 20 30 BFEDLO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161510 359713275 /nfs/dbraw/zinc/71/32/75/359713275.db2.gz CJPPKDOCJSMZCL-JSGCOSHPSA-N 1 2 229.327 2.768 20 30 BFEDLO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161510 359713277 /nfs/dbraw/zinc/71/32/77/359713277.db2.gz CJPPKDOCJSMZCL-JSGCOSHPSA-N 1 2 229.327 2.768 20 30 BFEDLO Cc1cccnc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166057 359720522 /nfs/dbraw/zinc/72/05/22/359720522.db2.gz UFDSVIKAWIMLAB-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1cccnc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166057 359720528 /nfs/dbraw/zinc/72/05/28/359720528.db2.gz UFDSVIKAWIMLAB-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO COCc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000612406059 359833855 /nfs/dbraw/zinc/83/38/55/359833855.db2.gz HJDKWMVAYVDTBV-AWEZNQCLSA-N 1 2 248.326 2.552 20 30 BFEDLO COCc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000612406059 359833860 /nfs/dbraw/zinc/83/38/60/359833860.db2.gz HJDKWMVAYVDTBV-AWEZNQCLSA-N 1 2 248.326 2.552 20 30 BFEDLO C=C[C@@H]([NH2+]CC1(C)CCCCCC1)C(=O)OC ZINC000619702970 363687323 /nfs/dbraw/zinc/68/73/23/363687323.db2.gz CETNLYWWHALUAE-GFCCVEGCSA-N 1 2 239.359 2.664 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cc2ccccc2o1 ZINC000067406197 370667526 /nfs/dbraw/zinc/66/75/26/370667526.db2.gz SOOPBLUUBZMPKP-SNVBAGLBSA-N 1 2 214.268 2.825 20 30 BFEDLO CC[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](C)C#N 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/nfs/dbraw/zinc/99/83/42/369998342.db2.gz GRFWXKZUVVSXRF-TZMCWYRMSA-N 1 2 214.312 2.983 20 30 BFEDLO C[C@@H]1CCC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000252103767 369998344 /nfs/dbraw/zinc/99/83/44/369998344.db2.gz GRFWXKZUVVSXRF-TZMCWYRMSA-N 1 2 214.312 2.983 20 30 BFEDLO C=C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C(=O)OC ZINC000309524209 370217062 /nfs/dbraw/zinc/21/70/62/370217062.db2.gz AVTKTTARCDASRA-WDEREUQCSA-N 1 2 227.348 2.518 20 30 BFEDLO C=CCN(CCOC)c1cc2ccccc2c[nH+]1 ZINC000631243167 372256802 /nfs/dbraw/zinc/25/68/02/372256802.db2.gz UJMHPOWTTMSKCD-UHFFFAOYSA-N 1 2 242.322 2.874 20 30 BFEDLO C[C@@H](Nc1cccc(F)c1C#N)c1[nH]cc[nH+]1 ZINC000139894562 372269648 /nfs/dbraw/zinc/26/96/48/372269648.db2.gz GXNOPLAXJRWQPB-MRVPVSSYSA-N 1 2 230.246 2.594 20 30 BFEDLO C=CC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000171953213 206005199 /nfs/dbraw/zinc/00/51/99/206005199.db2.gz OTOVXJZBJYTGFC-UHFFFAOYSA-N 1 2 241.285 2.676 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCOCC1CCCC1 ZINC000459496140 206132283 /nfs/dbraw/zinc/13/22/83/206132283.db2.gz WRBALPHLPYCWEO-UHFFFAOYSA-N 1 2 236.359 2.595 20 30 BFEDLO C=CC[N@H+](CCC#N)CCOCC1CCCC1 ZINC000459496140 206132285 /nfs/dbraw/zinc/13/22/85/206132285.db2.gz WRBALPHLPYCWEO-UHFFFAOYSA-N 1 2 236.359 2.595 20 30 BFEDLO CCC[N@H+](CC#N)CC1(OC)CCCCC1 ZINC000361576526 169091854 /nfs/dbraw/zinc/09/18/54/169091854.db2.gz GZJKPRQKOXUIJV-UHFFFAOYSA-N 1 2 224.348 2.571 20 30 BFEDLO CCC[N@@H+](CC#N)CC1(OC)CCCCC1 ZINC000361576526 169091855 /nfs/dbraw/zinc/09/18/55/169091855.db2.gz GZJKPRQKOXUIJV-UHFFFAOYSA-N 1 2 224.348 2.571 20 30 BFEDLO N#Cc1ccc(COc2cc[nH+]cc2)c(F)c1 ZINC000334864112 383969555 /nfs/dbraw/zinc/96/95/55/383969555.db2.gz SAQGQQXUEXADFK-UHFFFAOYSA-N 1 2 228.226 2.671 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000093090789 384211132 /nfs/dbraw/zinc/21/11/32/384211132.db2.gz UWRDCSCMSHLNJT-GFCCVEGCSA-N 1 2 242.322 2.696 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)CC1=Cc2ccccc2OC1 ZINC000093090789 384211138 /nfs/dbraw/zinc/21/11/38/384211138.db2.gz UWRDCSCMSHLNJT-GFCCVEGCSA-N 1 2 242.322 2.696 20 30 BFEDLO CC(C)[C@H]1[N@H+](Cc2nc(C#N)cs2)CC1(C)C ZINC000336333085 384211305 /nfs/dbraw/zinc/21/13/05/384211305.db2.gz NKPPJVWGPNNPEA-GFCCVEGCSA-N 1 2 249.383 2.881 20 30 BFEDLO CC(C)[C@H]1[N@@H+](Cc2nc(C#N)cs2)CC1(C)C ZINC000336333085 384211314 /nfs/dbraw/zinc/21/13/14/384211314.db2.gz NKPPJVWGPNNPEA-GFCCVEGCSA-N 1 2 249.383 2.881 20 30 BFEDLO COCc1ccc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000093091253 384212564 /nfs/dbraw/zinc/21/25/64/384212564.db2.gz KOLWLNRNYSXUGJ-UHFFFAOYSA-N 1 2 248.326 2.552 20 30 BFEDLO COCc1ccc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000093091253 384212568 /nfs/dbraw/zinc/21/25/68/384212568.db2.gz KOLWLNRNYSXUGJ-UHFFFAOYSA-N 1 2 248.326 2.552 20 30 BFEDLO C[N@@H+](Cc1ccccc1F)C[C@H](C#N)CCC#N ZINC000072589924 384226984 /nfs/dbraw/zinc/22/69/84/384226984.db2.gz JQSJKRMVSJWTCB-LBPRGKRZSA-N 1 2 245.301 2.701 20 30 BFEDLO C[N@H+](Cc1ccccc1F)C[C@H](C#N)CCC#N ZINC000072589924 384226991 /nfs/dbraw/zinc/22/69/91/384226991.db2.gz JQSJKRMVSJWTCB-LBPRGKRZSA-N 1 2 245.301 2.701 20 30 BFEDLO C[N@@H+](Cc1ccccc1F)C[C@@H](C#N)CCC#N ZINC000072589925 384227284 /nfs/dbraw/zinc/22/72/84/384227284.db2.gz JQSJKRMVSJWTCB-GFCCVEGCSA-N 1 2 245.301 2.701 20 30 BFEDLO C[N@H+](Cc1ccccc1F)C[C@@H](C#N)CCC#N ZINC000072589925 384227289 /nfs/dbraw/zinc/22/72/89/384227289.db2.gz JQSJKRMVSJWTCB-GFCCVEGCSA-N 1 2 245.301 2.701 20 30 BFEDLO Cn1c[nH+]cc1COc1cc(Cl)cc(C#N)c1 ZINC000335566898 384305981 /nfs/dbraw/zinc/30/59/81/384305981.db2.gz JIYAZMMOAGMQCU-UHFFFAOYSA-N 1 2 247.685 2.524 20 30 BFEDLO Cc1occc1CN(C)c1cc(C)[nH+]cc1C#N ZINC000335514776 384294707 /nfs/dbraw/zinc/29/47/07/384294707.db2.gz YUJPMQJKFSGBMA-UHFFFAOYSA-N 1 2 241.294 2.800 20 30 BFEDLO Clc1ccc(C#CCn2cc[nH+]c2)cc1 ZINC000334201524 384328597 /nfs/dbraw/zinc/32/85/97/384328597.db2.gz OFWPWHMUEGJYPU-UHFFFAOYSA-N 1 2 216.671 2.588 20 30 BFEDLO C=CCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000102345277 384420472 /nfs/dbraw/zinc/42/04/72/384420472.db2.gz RIQHRJGXKDBLRY-UHFFFAOYSA-N 1 2 241.294 2.981 20 30 BFEDLO Cc1cccc(C)c1OCC[N@@H+](C)CCC#N ZINC000078637537 384454214 /nfs/dbraw/zinc/45/42/14/384454214.db2.gz LQJQXDSPKQYBGR-UHFFFAOYSA-N 1 2 232.327 2.528 20 30 BFEDLO Cc1cccc(C)c1OCC[N@H+](C)CCC#N ZINC000078637537 384454217 /nfs/dbraw/zinc/45/42/17/384454217.db2.gz LQJQXDSPKQYBGR-UHFFFAOYSA-N 1 2 232.327 2.528 20 30 BFEDLO Cc1ccc(NCc2ccc(C#N)cc2)c[nH+]1 ZINC000083352701 384501125 /nfs/dbraw/zinc/50/11/25/384501125.db2.gz HDHVWFHCFUZCRY-UHFFFAOYSA-N 1 2 223.279 2.874 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)CCSc1ccccc1 ZINC000079618610 384506525 /nfs/dbraw/zinc/50/65/25/384506525.db2.gz IJGLMNBXKKFMID-GFCCVEGCSA-N 1 2 234.368 2.870 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)CCSc1ccccc1 ZINC000079618610 384506528 /nfs/dbraw/zinc/50/65/28/384506528.db2.gz IJGLMNBXKKFMID-GFCCVEGCSA-N 1 2 234.368 2.870 20 30 BFEDLO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C#N ZINC000080480954 384557147 /nfs/dbraw/zinc/55/71/47/384557147.db2.gz XNLFYRALDCDVMJ-BXUZGUMPSA-N 1 2 234.318 2.894 20 30 BFEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CCCC1 ZINC000172421436 384587127 /nfs/dbraw/zinc/58/71/27/384587127.db2.gz VOLRDWXFXVNEAG-UHFFFAOYSA-N 1 2 243.354 2.987 20 30 BFEDLO N#CCC[N@H+](Cc1ccccn1)CC1CCCC1 ZINC000172421436 384587139 /nfs/dbraw/zinc/58/71/39/384587139.db2.gz VOLRDWXFXVNEAG-UHFFFAOYSA-N 1 2 243.354 2.987 20 30 BFEDLO C[N@H+](CCC#N)Cc1cccc2cccnc21 ZINC000020246527 384602828 /nfs/dbraw/zinc/60/28/28/384602828.db2.gz HDDLUDZGYODSCX-UHFFFAOYSA-N 1 2 225.295 2.580 20 30 BFEDLO C[N@@H+](CCC#N)Cc1cccc2cccnc21 ZINC000020246527 384602835 /nfs/dbraw/zinc/60/28/35/384602835.db2.gz HDDLUDZGYODSCX-UHFFFAOYSA-N 1 2 225.295 2.580 20 30 BFEDLO Cc1ncsc1CC[N@H+](CC#N)C1CCCC1 ZINC000172571902 384604837 /nfs/dbraw/zinc/60/48/37/384604837.db2.gz JWTFSRYUHQUIBA-UHFFFAOYSA-N 1 2 249.383 2.762 20 30 BFEDLO Cc1ncsc1CC[N@@H+](CC#N)C1CCCC1 ZINC000172571902 384604844 /nfs/dbraw/zinc/60/48/44/384604844.db2.gz JWTFSRYUHQUIBA-UHFFFAOYSA-N 1 2 249.383 2.762 20 30 BFEDLO C=CCCOc1ccccc1-n1cc[nH+]c1 ZINC000559132330 384592707 /nfs/dbraw/zinc/59/27/07/384592707.db2.gz JYBWPVCDNCFJQM-UHFFFAOYSA-N 1 2 214.268 2.827 20 30 BFEDLO Cc1occc1C[N@@H+](CCC#N)C(C)C ZINC000556881837 384593886 /nfs/dbraw/zinc/59/38/86/384593886.db2.gz QFKGXXIYXQENCU-UHFFFAOYSA-N 1 2 206.289 2.712 20 30 BFEDLO Cc1occc1C[N@H+](CCC#N)C(C)C ZINC000556881837 384593893 /nfs/dbraw/zinc/59/38/93/384593893.db2.gz QFKGXXIYXQENCU-UHFFFAOYSA-N 1 2 206.289 2.712 20 30 BFEDLO Cc1ccc(C[N@H+](CCC#N)CC2CC2)nc1 ZINC000154257143 384597830 /nfs/dbraw/zinc/59/78/30/384597830.db2.gz DLAQJDAQKZHHMK-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccc(C[N@@H+](CCC#N)CC2CC2)nc1 ZINC000154257143 384597838 /nfs/dbraw/zinc/59/78/38/384597838.db2.gz DLAQJDAQKZHHMK-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000051424312 384667702 /nfs/dbraw/zinc/66/77/02/384667702.db2.gz SCMRRZSHNKBPLT-UHFFFAOYSA-N 1 2 224.254 2.700 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000051424312 384667709 /nfs/dbraw/zinc/66/77/09/384667709.db2.gz SCMRRZSHNKBPLT-UHFFFAOYSA-N 1 2 224.254 2.700 20 30 BFEDLO Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c(C)[nH+]1 ZINC000309816110 384642502 /nfs/dbraw/zinc/64/25/02/384642502.db2.gz AWARURRGJSJPNB-VXGBXAGGSA-N 1 2 215.300 2.803 20 30 BFEDLO C=C(C)C[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC000065301883 384797469 /nfs/dbraw/zinc/79/74/69/384797469.db2.gz XPLZJHALMXCSSL-UHFFFAOYSA-N 1 2 247.338 2.628 20 30 BFEDLO C=C(C)C[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC000065301883 384797474 /nfs/dbraw/zinc/79/74/74/384797474.db2.gz XPLZJHALMXCSSL-UHFFFAOYSA-N 1 2 247.338 2.628 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000188391961 384912520 /nfs/dbraw/zinc/91/25/20/384912520.db2.gz PPABYMWEQDBINP-ZDUSSCGKSA-N 1 2 218.300 2.931 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000127638977 384927552 /nfs/dbraw/zinc/92/75/52/384927552.db2.gz MXMDDYBFNXKIBI-UHFFFAOYSA-N 1 2 242.244 2.839 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000127638977 384927564 /nfs/dbraw/zinc/92/75/64/384927564.db2.gz MXMDDYBFNXKIBI-UHFFFAOYSA-N 1 2 242.244 2.839 20 30 BFEDLO C=C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302069662 384965337 /nfs/dbraw/zinc/96/53/37/384965337.db2.gz DTUTZQKVAIHKEZ-SECBINFHSA-N 1 2 217.316 2.650 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297919447 384986955 /nfs/dbraw/zinc/98/69/55/384986955.db2.gz XQOMNVNOHJCMGR-LLVKDONJSA-N 1 2 243.310 2.875 20 30 BFEDLO CC#CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000157718244 385251169 /nfs/dbraw/zinc/25/11/69/385251169.db2.gz MJQADMFZPWNWBY-UHFFFAOYSA-N 1 2 235.277 2.953 20 30 BFEDLO CC#CC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000157718244 385251175 /nfs/dbraw/zinc/25/11/75/385251175.db2.gz MJQADMFZPWNWBY-UHFFFAOYSA-N 1 2 235.277 2.953 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448275387 385271197 /nfs/dbraw/zinc/27/11/97/385271197.db2.gz JMIRVIVSJCYHMO-KBUPBQIOSA-N 1 2 248.370 2.570 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448275387 385271202 /nfs/dbraw/zinc/27/12/02/385271202.db2.gz JMIRVIVSJCYHMO-KBUPBQIOSA-N 1 2 248.370 2.570 20 30 BFEDLO CC[N@H+](CCCc1ccsc1)[C@@H](C)C#N ZINC000595821673 385639175 /nfs/dbraw/zinc/63/91/75/385639175.db2.gz YWBBVEUJSHIUBI-NSHDSACASA-N 1 2 222.357 2.915 20 30 BFEDLO CC[N@@H+](CCCc1ccsc1)[C@@H](C)C#N ZINC000595821673 385639180 /nfs/dbraw/zinc/63/91/80/385639180.db2.gz YWBBVEUJSHIUBI-NSHDSACASA-N 1 2 222.357 2.915 20 30 BFEDLO Cc1nc(N2CCC[C@@H](CC#N)C2)c(C)c(C)[nH+]1 ZINC000596328566 385648621 /nfs/dbraw/zinc/64/86/21/385648621.db2.gz HKTYCAWCRWFZIA-ZDUSSCGKSA-N 1 2 244.342 2.532 20 30 BFEDLO CC[N@@H+](Cc1ccoc1C)C[C@@H](C)C#N ZINC000414372972 386179756 /nfs/dbraw/zinc/17/97/56/386179756.db2.gz QYFHCIGPJMMCSR-JTQLQIEISA-N 1 2 206.289 2.570 20 30 BFEDLO CC[N@H+](Cc1ccoc1C)C[C@@H](C)C#N ZINC000414372972 386179762 /nfs/dbraw/zinc/17/97/62/386179762.db2.gz QYFHCIGPJMMCSR-JTQLQIEISA-N 1 2 206.289 2.570 20 30 BFEDLO CC[N@@H+](Cc1ccoc1C)C[C@H](C)C#N ZINC000414372974 386180519 /nfs/dbraw/zinc/18/05/19/386180519.db2.gz QYFHCIGPJMMCSR-SNVBAGLBSA-N 1 2 206.289 2.570 20 30 BFEDLO CC[N@H+](Cc1ccoc1C)C[C@H](C)C#N ZINC000414372974 386180524 /nfs/dbraw/zinc/18/05/24/386180524.db2.gz QYFHCIGPJMMCSR-SNVBAGLBSA-N 1 2 206.289 2.570 20 30 BFEDLO CC[C@H](c1ccccc1OC)[N@H+](C)CCC#N ZINC000347531704 386441707 /nfs/dbraw/zinc/44/17/07/386441707.db2.gz CCGSOSVCRGOWEO-CYBMUJFWSA-N 1 2 232.327 2.992 20 30 BFEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)CCC#N ZINC000347531704 386441712 /nfs/dbraw/zinc/44/17/12/386441712.db2.gz CCGSOSVCRGOWEO-CYBMUJFWSA-N 1 2 232.327 2.992 20 30 BFEDLO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC#N)C2)cc1 ZINC000278410872 386522223 /nfs/dbraw/zinc/52/22/23/386522223.db2.gz HMTRLYOJJJDNJS-GXTWGEPZSA-N 1 2 214.312 2.696 20 30 BFEDLO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC#N)C2)cc1 ZINC000278410872 386522228 /nfs/dbraw/zinc/52/22/28/386522228.db2.gz HMTRLYOJJJDNJS-GXTWGEPZSA-N 1 2 214.312 2.696 20 30 BFEDLO CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000330599423 386805814 /nfs/dbraw/zinc/80/58/14/386805814.db2.gz XMDSXOJKHRISFY-CMPLNLGQSA-N 1 2 249.358 2.963 20 30 BFEDLO CC1(C)CCC[N@H+](CC[C@@H]2CCCO2)[C@H]1C#N ZINC000334782437 386839826 /nfs/dbraw/zinc/83/98/26/386839826.db2.gz XPKRCQPBAIOYEU-STQMWFEESA-N 1 2 236.359 2.570 20 30 BFEDLO CC1(C)CCC[N@@H+](CC[C@@H]2CCCO2)[C@H]1C#N ZINC000334782437 386839832 /nfs/dbraw/zinc/83/98/32/386839832.db2.gz XPKRCQPBAIOYEU-STQMWFEESA-N 1 2 236.359 2.570 20 30 BFEDLO C=C(C)COCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000125688465 386867201 /nfs/dbraw/zinc/86/72/01/386867201.db2.gz VFXQEBKMHFXXKN-UHFFFAOYSA-N 1 2 249.358 2.913 20 30 BFEDLO Cc1cc(NC[C@@H]2CCC[C@H]2C)c(C#N)c[nH+]1 ZINC000399514110 386930343 /nfs/dbraw/zinc/93/03/43/386930343.db2.gz OPQCBIUTDFCKKZ-PWSUYJOCSA-N 1 2 229.327 2.532 20 30 BFEDLO Cc1cc(NC[C@H]2CCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000399514105 386931118 /nfs/dbraw/zinc/93/11/18/386931118.db2.gz OPQCBIUTDFCKKZ-CMPLNLGQSA-N 1 2 229.327 2.532 20 30 BFEDLO Cc1cc(N[C@@H]2CCCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000399528315 386957158 /nfs/dbraw/zinc/95/71/58/386957158.db2.gz TXJZOUAQSUPEGD-GXFFZTMASA-N 1 2 229.327 2.674 20 30 BFEDLO Cc1cc(NCCCC(C)C)c(C#N)c[nH+]1 ZINC000399612101 387042197 /nfs/dbraw/zinc/04/21/97/387042197.db2.gz WXGKYZSRZNMCAV-UHFFFAOYSA-N 1 2 217.316 2.532 20 30 BFEDLO CCC(CC)CNc1cc(C)[nH+]cc1C#N ZINC000399586438 387027557 /nfs/dbraw/zinc/02/75/57/387027557.db2.gz NLRXDWHHDLPCFN-UHFFFAOYSA-N 1 2 217.316 2.532 20 30 BFEDLO Cc1cc(N2CC[C@H](C)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399437043 387100620 /nfs/dbraw/zinc/10/06/20/387100620.db2.gz NHQJLUYMELHEND-WDEREUQCSA-N 1 2 229.327 2.744 20 30 BFEDLO Cc1cc(N2CC[C@H](C(C)C)C2)c(C#N)c[nH+]1 ZINC000399442670 387101548 /nfs/dbraw/zinc/10/15/48/387101548.db2.gz OZPOZMTUAIFMRK-LBPRGKRZSA-N 1 2 229.327 2.744 20 30 BFEDLO CC[N@@H+](Cc1ccc(C)nc1C)C[C@@H](C)C#N ZINC000186903794 387144828 /nfs/dbraw/zinc/14/48/28/387144828.db2.gz QCOUWWLQXOQUJL-NSHDSACASA-N 1 2 231.343 2.680 20 30 BFEDLO CC[N@H+](Cc1ccc(C)nc1C)C[C@@H](C)C#N ZINC000186903794 387144830 /nfs/dbraw/zinc/14/48/30/387144830.db2.gz QCOUWWLQXOQUJL-NSHDSACASA-N 1 2 231.343 2.680 20 30 BFEDLO C=C(C)C(C)(C)C(=O)Nc1c[nH+]ccc1OC ZINC000424621813 387224018 /nfs/dbraw/zinc/22/40/18/387224018.db2.gz BFTBHHQHCIACFE-UHFFFAOYSA-N 1 2 234.299 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000336617881 387458331 /nfs/dbraw/zinc/45/83/31/387458331.db2.gz AJGOBYAKIRLJCP-LLVKDONJSA-N 1 2 224.304 2.554 20 30 BFEDLO C[C@@]1(F)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000336617881 387458337 /nfs/dbraw/zinc/45/83/37/387458337.db2.gz AJGOBYAKIRLJCP-LLVKDONJSA-N 1 2 224.304 2.554 20 30 BFEDLO C#CC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267351647 387411092 /nfs/dbraw/zinc/41/10/92/387411092.db2.gz NUSZYALMGYFUBZ-GFCCVEGCSA-N 1 2 205.688 2.720 20 30 BFEDLO C#CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000267351647 387411099 /nfs/dbraw/zinc/41/10/99/387411099.db2.gz NUSZYALMGYFUBZ-GFCCVEGCSA-N 1 2 205.688 2.720 20 30 BFEDLO C#CC[N@@H+](Cc1cccc(F)c1F)C1CC1 ZINC000274193424 387495055 /nfs/dbraw/zinc/49/50/55/387495055.db2.gz QONNELKWHOKDNA-UHFFFAOYSA-N 1 2 221.250 2.562 20 30 BFEDLO C#CC[N@H+](Cc1cccc(F)c1F)C1CC1 ZINC000274193424 387495061 /nfs/dbraw/zinc/49/50/61/387495061.db2.gz QONNELKWHOKDNA-UHFFFAOYSA-N 1 2 221.250 2.562 20 30 BFEDLO CC[N@H+](CCC(=O)c1ccccc1)C[C@@H](C)C#N ZINC000165473710 387531611 /nfs/dbraw/zinc/53/16/11/387531611.db2.gz IQUNGFLQOWBNED-ZDUSSCGKSA-N 1 2 244.338 2.741 20 30 BFEDLO CC[N@@H+](CCC(=O)c1ccccc1)C[C@@H](C)C#N ZINC000165473710 387531617 /nfs/dbraw/zinc/53/16/17/387531617.db2.gz IQUNGFLQOWBNED-ZDUSSCGKSA-N 1 2 244.338 2.741 20 30 BFEDLO Cc1cccc(C[NH2+]CC2(C#N)CC2)c1F ZINC000516242013 387486312 /nfs/dbraw/zinc/48/63/12/387486312.db2.gz QEVXBGKRVLQYGY-UHFFFAOYSA-N 1 2 218.275 2.528 20 30 BFEDLO COCCCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444714317 387909361 /nfs/dbraw/zinc/90/93/61/387909361.db2.gz AEHAGPMSDJZVPL-ZDUSSCGKSA-N 1 2 238.375 2.817 20 30 BFEDLO COCCCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444714317 387909366 /nfs/dbraw/zinc/90/93/66/387909366.db2.gz AEHAGPMSDJZVPL-ZDUSSCGKSA-N 1 2 238.375 2.817 20 30 BFEDLO C[C@@H]1CC[C@H](C[N@@H+]2CCCC(C)(C)[C@H]2C#N)O1 ZINC000444728161 387917748 /nfs/dbraw/zinc/91/77/48/387917748.db2.gz QOJFIXDHVFPIGN-JHJVBQTASA-N 1 2 236.359 2.568 20 30 BFEDLO C[C@@H]1CC[C@H](C[N@H+]2CCCC(C)(C)[C@H]2C#N)O1 ZINC000444728161 387917750 /nfs/dbraw/zinc/91/77/50/387917750.db2.gz QOJFIXDHVFPIGN-JHJVBQTASA-N 1 2 236.359 2.568 20 30 BFEDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCC#N ZINC000336253587 135071036 /nfs/dbraw/zinc/07/10/36/135071036.db2.gz INQPQDSIYLHVEL-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCC#N ZINC000336253587 135071038 /nfs/dbraw/zinc/07/10/38/135071038.db2.gz INQPQDSIYLHVEL-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccccc1 ZINC000045796716 387998778 /nfs/dbraw/zinc/99/87/78/387998778.db2.gz IBBANRAXCBASAJ-UHFFFAOYSA-N 1 2 200.285 2.588 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccccc1 ZINC000045796716 387998782 /nfs/dbraw/zinc/99/87/82/387998782.db2.gz IBBANRAXCBASAJ-UHFFFAOYSA-N 1 2 200.285 2.588 20 30 BFEDLO C=C(CC)C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000453356464 388057371 /nfs/dbraw/zinc/05/73/71/388057371.db2.gz KRFYKGJTXJNVNY-NSHDSACASA-N 1 2 248.355 2.511 20 30 BFEDLO C=CC[C@@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000440641873 388063300 /nfs/dbraw/zinc/06/33/00/388063300.db2.gz BUGKIBXNOYCPRW-GFCCVEGCSA-N 1 2 231.343 2.851 20 30 BFEDLO C[C@H](c1cccnc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450630901 388050250 /nfs/dbraw/zinc/05/02/50/388050250.db2.gz VJHAXFAPHRDQLA-GFCCVEGCSA-N 1 2 229.327 2.768 20 30 BFEDLO C[C@H](c1cccnc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450630901 388050254 /nfs/dbraw/zinc/05/02/54/388050254.db2.gz VJHAXFAPHRDQLA-GFCCVEGCSA-N 1 2 229.327 2.768 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(F)cc(OC)c1 ZINC000449008045 388127723 /nfs/dbraw/zinc/12/77/23/388127723.db2.gz CJZUZYMRVSYLDZ-UHFFFAOYSA-N 1 2 236.290 2.570 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(F)cc(OC)c1 ZINC000449008045 388127725 /nfs/dbraw/zinc/12/77/25/388127725.db2.gz CJZUZYMRVSYLDZ-UHFFFAOYSA-N 1 2 236.290 2.570 20 30 BFEDLO CCC[N@@H+](CC#N)CCc1cccc(C)c1 ZINC000449015737 388129529 /nfs/dbraw/zinc/12/95/29/388129529.db2.gz MBEIJCRYCZTKHO-UHFFFAOYSA-N 1 2 216.328 2.773 20 30 BFEDLO CCC[N@H+](CC#N)CCc1cccc(C)c1 ZINC000449015737 388129530 /nfs/dbraw/zinc/12/95/30/388129530.db2.gz MBEIJCRYCZTKHO-UHFFFAOYSA-N 1 2 216.328 2.773 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000590765353 388129730 /nfs/dbraw/zinc/12/97/30/388129730.db2.gz OFIGTKYEFVEQLQ-RVMXOQNASA-N 1 2 239.359 2.518 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456371844 388197631 /nfs/dbraw/zinc/19/76/31/388197631.db2.gz YZFIMVHSAFMZKD-NWDGAFQWSA-N 1 2 249.358 2.683 20 30 BFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456419746 388200549 /nfs/dbraw/zinc/20/05/49/388200549.db2.gz MAYLNOKWLOMDLD-QWRGUYRKSA-N 1 2 247.342 2.607 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456440981 388201743 /nfs/dbraw/zinc/20/17/43/388201743.db2.gz YURUTQXXSYUUGH-SRVKXCTJSA-N 1 2 247.342 2.607 20 30 BFEDLO C=C[C@H]1CCCCN1Cc1cc(OC)cc(C)[nH+]1 ZINC000489407561 388212097 /nfs/dbraw/zinc/21/20/97/388212097.db2.gz QNRDSGZCUKKFEY-AWEZNQCLSA-N 1 2 246.354 2.939 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C)n1CCC ZINC000489458387 388216666 /nfs/dbraw/zinc/21/66/66/388216666.db2.gz RQULETLXNUMCPL-CYBMUJFWSA-N 1 2 248.374 2.537 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C)n1CCC ZINC000489458387 388216667 /nfs/dbraw/zinc/21/66/67/388216667.db2.gz RQULETLXNUMCPL-CYBMUJFWSA-N 1 2 248.374 2.537 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456851652 388227253 /nfs/dbraw/zinc/22/72/53/388227253.db2.gz WXDVVZSBQARCDG-LBPRGKRZSA-N 1 2 246.354 2.917 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1ccccn1)c1ccc(F)cc1 ZINC000491351824 388287636 /nfs/dbraw/zinc/28/76/36/388287636.db2.gz VWDIQZRVCDNUDD-OAHLLOKOSA-N 1 2 240.281 2.685 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1cncs1)c1ccc(F)cc1 ZINC000491429734 388294310 /nfs/dbraw/zinc/29/43/10/388294310.db2.gz VOAIHDCKWKZZEW-CYBMUJFWSA-N 1 2 246.310 2.746 20 30 BFEDLO C#C[C@H](CC)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491622118 388305701 /nfs/dbraw/zinc/30/57/01/388305701.db2.gz IXRJNGPREOOTBR-GFCCVEGCSA-N 1 2 245.326 2.540 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ccn(C(CC)CC)n1 ZINC000491707648 388313630 /nfs/dbraw/zinc/31/36/30/388313630.db2.gz LVRSEAREPZMAKV-LBPRGKRZSA-N 1 2 233.359 2.698 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ccn(C(CC)CC)n1 ZINC000491707648 388313631 /nfs/dbraw/zinc/31/36/31/388313631.db2.gz LVRSEAREPZMAKV-LBPRGKRZSA-N 1 2 233.359 2.698 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000491808146 388322510 /nfs/dbraw/zinc/32/25/10/388322510.db2.gz DDUVJMOZJRAEGR-MRVPVSSYSA-N 1 2 227.229 2.557 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)cc1F ZINC000491808146 388322511 /nfs/dbraw/zinc/32/25/11/388322511.db2.gz DDUVJMOZJRAEGR-MRVPVSSYSA-N 1 2 227.229 2.557 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000572807476 388377863 /nfs/dbraw/zinc/37/78/63/388377863.db2.gz CBCJGWVORFEJQX-UTUOFQBUSA-N 1 2 206.333 2.657 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000572807476 388377865 /nfs/dbraw/zinc/37/78/65/388377865.db2.gz CBCJGWVORFEJQX-UTUOFQBUSA-N 1 2 206.333 2.657 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000572807475 388378143 /nfs/dbraw/zinc/37/81/43/388378143.db2.gz CBCJGWVORFEJQX-IJLUTSLNSA-N 1 2 206.333 2.657 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000572807475 388378144 /nfs/dbraw/zinc/37/81/44/388378144.db2.gz CBCJGWVORFEJQX-IJLUTSLNSA-N 1 2 206.333 2.657 20 30 BFEDLO C#CC[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000072183389 388455676 /nfs/dbraw/zinc/45/56/76/388455676.db2.gz NLNHSJVDXWWURL-UHFFFAOYSA-N 1 2 244.269 2.546 20 30 BFEDLO C#CC[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000072183389 388455679 /nfs/dbraw/zinc/45/56/79/388455679.db2.gz NLNHSJVDXWWURL-UHFFFAOYSA-N 1 2 244.269 2.546 20 30 BFEDLO CCC[N@H+](CC#N)C[C@H]1CCC(F)(F)C1 ZINC000336642409 388457915 /nfs/dbraw/zinc/45/79/15/388457915.db2.gz DRIMQSJIHMLBHT-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO CCC[N@@H+](CC#N)C[C@H]1CCC(F)(F)C1 ZINC000336642409 388457918 /nfs/dbraw/zinc/45/79/18/388457918.db2.gz DRIMQSJIHMLBHT-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO C=CC[N@H+](Cc1cccs1)Cc1cncn1C ZINC000177234973 388477617 /nfs/dbraw/zinc/47/76/17/388477617.db2.gz TWCXBSOCUILVMC-UHFFFAOYSA-N 1 2 247.367 2.670 20 30 BFEDLO C=CC[N@@H+](Cc1cccs1)Cc1cncn1C ZINC000177234973 388477621 /nfs/dbraw/zinc/47/76/21/388477621.db2.gz TWCXBSOCUILVMC-UHFFFAOYSA-N 1 2 247.367 2.670 20 30 BFEDLO C=CC[N@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000136112867 388522293 /nfs/dbraw/zinc/52/22/93/388522293.db2.gz AKDJXMMLEZSXAR-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO C=CC[N@@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000136112867 388522297 /nfs/dbraw/zinc/52/22/97/388522297.db2.gz AKDJXMMLEZSXAR-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO C[C@]1(F)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000296191199 388600872 /nfs/dbraw/zinc/60/08/72/388600872.db2.gz YLDZXQCMUSKBDY-AWEZNQCLSA-N 1 2 232.302 2.882 20 30 BFEDLO C[C@]1(F)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000296191199 388600874 /nfs/dbraw/zinc/60/08/74/388600874.db2.gz YLDZXQCMUSKBDY-AWEZNQCLSA-N 1 2 232.302 2.882 20 30 BFEDLO CC[C@H](Nc1ccc(C#N)c(C)n1)c1[nH]cc[nH+]1 ZINC000311196437 388673881 /nfs/dbraw/zinc/67/38/81/388673881.db2.gz IHCWTBYUAXNYLV-NSHDSACASA-N 1 2 241.298 2.548 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000530322605 388649427 /nfs/dbraw/zinc/64/94/27/388649427.db2.gz KVLBTCMYIGVWCS-AWEZNQCLSA-N 1 2 232.327 2.661 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251747357 388753123 /nfs/dbraw/zinc/75/31/23/388753123.db2.gz DAUSLVUNLPQLAL-CKYFFXLPSA-N 1 2 218.300 2.652 20 30 BFEDLO CCC[C@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000131776746 388755046 /nfs/dbraw/zinc/75/50/46/388755046.db2.gz BFEVQYHUEBKJCK-HNNXBMFYSA-N 1 2 244.338 2.559 20 30 BFEDLO CCC[C@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000131776746 388755048 /nfs/dbraw/zinc/75/50/48/388755048.db2.gz BFEVQYHUEBKJCK-HNNXBMFYSA-N 1 2 244.338 2.559 20 30 BFEDLO CC#CC[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000126756223 388701145 /nfs/dbraw/zinc/70/11/45/388701145.db2.gz NIWDCNJADISFSG-WFASDCNBSA-N 1 2 247.313 2.611 20 30 BFEDLO CC#CC[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000126756223 388701149 /nfs/dbraw/zinc/70/11/49/388701149.db2.gz NIWDCNJADISFSG-WFASDCNBSA-N 1 2 247.313 2.611 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cocn1 ZINC000425367220 388704057 /nfs/dbraw/zinc/70/40/57/388704057.db2.gz RVVOSNCHEURYOA-NSHDSACASA-N 1 2 241.294 2.739 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cocn1 ZINC000425367220 388704059 /nfs/dbraw/zinc/70/40/59/388704059.db2.gz RVVOSNCHEURYOA-NSHDSACASA-N 1 2 241.294 2.739 20 30 BFEDLO C#CC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000194425643 388731955 /nfs/dbraw/zinc/73/19/55/388731955.db2.gz VUPCOAHIIWEUAQ-SECBINFHSA-N 1 2 209.239 2.591 20 30 BFEDLO C#CC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000194425643 388731957 /nfs/dbraw/zinc/73/19/57/388731957.db2.gz VUPCOAHIIWEUAQ-SECBINFHSA-N 1 2 209.239 2.591 20 30 BFEDLO COc1c(O)cccc1C[N@H+](CCC#N)C(C)C ZINC000539814881 388779026 /nfs/dbraw/zinc/77/90/26/388779026.db2.gz KCVLQRQTMVSBPG-UHFFFAOYSA-N 1 2 248.326 2.525 20 30 BFEDLO COc1c(O)cccc1C[N@@H+](CCC#N)C(C)C ZINC000539814881 388779031 /nfs/dbraw/zinc/77/90/31/388779031.db2.gz KCVLQRQTMVSBPG-UHFFFAOYSA-N 1 2 248.326 2.525 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1cccc(O)c1 ZINC000094680047 388868635 /nfs/dbraw/zinc/86/86/35/388868635.db2.gz LQJXJTOHCVALPA-UHFFFAOYSA-N 1 2 218.300 2.516 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1cccc(O)c1 ZINC000094680047 388868638 /nfs/dbraw/zinc/86/86/38/388868638.db2.gz LQJXJTOHCVALPA-UHFFFAOYSA-N 1 2 218.300 2.516 20 30 BFEDLO C=C(C)CSCc1c[nH+]ccc1OC ZINC000341976735 533530952 /nfs/dbraw/zinc/53/09/52/533530952.db2.gz YKLIOAKSXZQPGL-UHFFFAOYSA-N 1 2 209.314 2.900 20 30 BFEDLO N#CC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000335966081 134028148 /nfs/dbraw/zinc/02/81/48/134028148.db2.gz ZJDRXIVQYDQYSV-UHFFFAOYSA-N 1 2 224.691 2.669 20 30 BFEDLO C=C1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000335966140 134028227 /nfs/dbraw/zinc/02/82/27/134028227.db2.gz SCVGAJIHZDEAKL-UHFFFAOYSA-N 1 2 222.719 2.887 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000351996925 134033503 /nfs/dbraw/zinc/03/35/03/134033503.db2.gz RCKICGUQUMEKAO-JTQLQIEISA-N 1 2 248.301 2.655 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000351996925 134033504 /nfs/dbraw/zinc/03/35/04/134033504.db2.gz RCKICGUQUMEKAO-JTQLQIEISA-N 1 2 248.301 2.655 20 30 BFEDLO C[N@H+](CC#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000335996922 134042637 /nfs/dbraw/zinc/04/26/37/134042637.db2.gz CNFPZFNNXDLTIT-KGLIPLIRSA-N 1 2 248.301 2.501 20 30 BFEDLO C[N@@H+](CC#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000335996922 134042638 /nfs/dbraw/zinc/04/26/38/134042638.db2.gz CNFPZFNNXDLTIT-KGLIPLIRSA-N 1 2 248.301 2.501 20 30 BFEDLO C=CCN(CCc1ccco1)c1cc(C)[nH+]cn1 ZINC000352089337 134061496 /nfs/dbraw/zinc/06/14/96/134061496.db2.gz KOZYMNPTTCVZHL-UHFFFAOYSA-N 1 2 243.310 2.613 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000352815452 134152966 /nfs/dbraw/zinc/15/29/66/134152966.db2.gz MBDOBVKPWFUREZ-UHFFFAOYSA-N 1 2 227.254 2.678 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000352815452 134152967 /nfs/dbraw/zinc/15/29/67/134152967.db2.gz MBDOBVKPWFUREZ-UHFFFAOYSA-N 1 2 227.254 2.678 20 30 BFEDLO C=C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000334148667 134154518 /nfs/dbraw/zinc/15/45/18/134154518.db2.gz BUIUZZFOXKSAJF-UHFFFAOYSA-N 1 2 247.342 2.879 20 30 BFEDLO C=CC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110595368 134160791 /nfs/dbraw/zinc/16/07/91/134160791.db2.gz WYZDZNWNNCAWEJ-UHFFFAOYSA-N 1 2 229.327 2.756 20 30 BFEDLO C=CCC[C@H]([NH2+]Cc1ccn(C)n1)c1ccco1 ZINC000353624672 134164628 /nfs/dbraw/zinc/16/46/28/134164628.db2.gz UNAMOUYYSCQWJP-ZDUSSCGKSA-N 1 2 245.326 2.810 20 30 BFEDLO Cc1nc(N2CCC(C)(C#N)CC2)c(C)c(C)[nH+]1 ZINC000355575033 134174027 /nfs/dbraw/zinc/17/40/27/134174027.db2.gz MIIBAVDWFCEEMF-UHFFFAOYSA-N 1 2 244.342 2.532 20 30 BFEDLO CC[N@@H+](Cc1ccc(C#N)s1)C[C@@H](C)C#N ZINC000120516973 134229786 /nfs/dbraw/zinc/22/97/86/134229786.db2.gz WELJYAFOKNINQZ-JTQLQIEISA-N 1 2 233.340 2.601 20 30 BFEDLO CC[N@H+](Cc1ccc(C#N)s1)C[C@@H](C)C#N ZINC000120516973 134229787 /nfs/dbraw/zinc/22/97/87/134229787.db2.gz WELJYAFOKNINQZ-JTQLQIEISA-N 1 2 233.340 2.601 20 30 BFEDLO C[C@H]1CC[N@H+](CC#N)CC12CCCCC2 ZINC000373423203 134234215 /nfs/dbraw/zinc/23/42/15/134234215.db2.gz SCMYEZPQFRAHRH-LBPRGKRZSA-N 1 2 206.333 2.802 20 30 BFEDLO C[C@H]1CC[N@@H+](CC#N)CC12CCCCC2 ZINC000373423203 134234216 /nfs/dbraw/zinc/23/42/16/134234216.db2.gz SCMYEZPQFRAHRH-LBPRGKRZSA-N 1 2 206.333 2.802 20 30 BFEDLO C=CCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000373837821 134235153 /nfs/dbraw/zinc/23/51/53/134235153.db2.gz UTHDVGQYCQTPGO-GJZGRUSLSA-N 1 2 248.370 2.880 20 30 BFEDLO C=CCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000373837821 134235154 /nfs/dbraw/zinc/23/51/54/134235154.db2.gz UTHDVGQYCQTPGO-GJZGRUSLSA-N 1 2 248.370 2.880 20 30 BFEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000173831237 134277939 /nfs/dbraw/zinc/27/79/39/134277939.db2.gz KSQVUYHHPQPSJR-HOCLYGCPSA-N 1 2 243.350 2.780 20 30 BFEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000173831237 134277940 /nfs/dbraw/zinc/27/79/40/134277940.db2.gz KSQVUYHHPQPSJR-HOCLYGCPSA-N 1 2 243.350 2.780 20 30 BFEDLO C=C(C)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185159990 134372458 /nfs/dbraw/zinc/37/24/58/134372458.db2.gz QXKVPEZUELYUAB-SECBINFHSA-N 1 2 223.320 2.594 20 30 BFEDLO CC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H](C)O1 ZINC000248818678 135022405 /nfs/dbraw/zinc/02/24/05/135022405.db2.gz FFEVSZYGRWCOMH-GDBMZVCRSA-N 1 2 243.350 2.537 20 30 BFEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H](C)O1 ZINC000248818678 135022406 /nfs/dbraw/zinc/02/24/06/135022406.db2.gz FFEVSZYGRWCOMH-GDBMZVCRSA-N 1 2 243.350 2.537 20 30 BFEDLO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC#N)C1 ZINC000076386278 135033134 /nfs/dbraw/zinc/03/31/34/135033134.db2.gz VJLORTPDTCQBKO-OLZOCXBDSA-N 1 2 214.312 2.696 20 30 BFEDLO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC#N)C1 ZINC000076386278 135033135 /nfs/dbraw/zinc/03/31/35/135033135.db2.gz VJLORTPDTCQBKO-OLZOCXBDSA-N 1 2 214.312 2.696 20 30 BFEDLO C[C@@H](C#N)C[N@H+](CCC(F)(F)F)C1CC1 ZINC000338353850 135034763 /nfs/dbraw/zinc/03/47/63/135034763.db2.gz PUDXFRGTOMUUMX-QMMMGPOBSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](CCC(F)(F)F)C1CC1 ZINC000338353850 135034766 /nfs/dbraw/zinc/03/47/66/135034766.db2.gz PUDXFRGTOMUUMX-QMMMGPOBSA-N 1 2 220.238 2.563 20 30 BFEDLO Cc1ccncc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338363776 135036365 /nfs/dbraw/zinc/03/63/65/135036365.db2.gz XYJQMGPGZNHVJW-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccncc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338363776 135036366 /nfs/dbraw/zinc/03/63/66/135036366.db2.gz XYJQMGPGZNHVJW-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO CC#CC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000339765738 135081318 /nfs/dbraw/zinc/08/13/18/135081318.db2.gz JHKLFXKXVYNKJD-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000339765738 135081321 /nfs/dbraw/zinc/08/13/21/135081321.db2.gz JHKLFXKXVYNKJD-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266632250 135148291 /nfs/dbraw/zinc/14/82/91/135148291.db2.gz JFXKDEVVAGXWAH-WDEREUQCSA-N 1 2 247.298 2.747 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266632250 135148293 /nfs/dbraw/zinc/14/82/93/135148293.db2.gz JFXKDEVVAGXWAH-WDEREUQCSA-N 1 2 247.298 2.747 20 30 BFEDLO C[C@@]1(CCc2ccccc2)CC[N@H+](CC#N)C1 ZINC000267608299 135156179 /nfs/dbraw/zinc/15/61/79/135156179.db2.gz NGHRJZIGENODAV-OAHLLOKOSA-N 1 2 228.339 2.855 20 30 BFEDLO C[C@@]1(CCc2ccccc2)CC[N@@H+](CC#N)C1 ZINC000267608299 135156180 /nfs/dbraw/zinc/15/61/80/135156180.db2.gz NGHRJZIGENODAV-OAHLLOKOSA-N 1 2 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2.571 20 30 BFEDLO COCC1(C[N@@H+](CC#N)C2CCCC2)CCC1 ZINC000336724598 174096469 /nfs/dbraw/zinc/09/64/69/174096469.db2.gz UQTVPKMGRHHBAQ-UHFFFAOYSA-N 1 2 236.359 2.571 20 30 BFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000275328638 176316396 /nfs/dbraw/zinc/31/63/96/176316396.db2.gz VLRXUKZUHADGOB-VXGBXAGGSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000275328638 176316398 /nfs/dbraw/zinc/31/63/98/176316398.db2.gz VLRXUKZUHADGOB-VXGBXAGGSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc(F)c1C#N ZINC000336599291 176363683 /nfs/dbraw/zinc/36/36/83/176363683.db2.gz WGUOBEGVHAGVEU-NXEZZACHSA-N 1 2 218.275 2.680 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccon1 ZINC000275504828 177035193 /nfs/dbraw/zinc/03/51/93/177035193.db2.gz CIVXUIATWDKGBL-LLVKDONJSA-N 1 2 241.294 2.739 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccon1 ZINC000275504828 177035195 /nfs/dbraw/zinc/03/51/95/177035195.db2.gz CIVXUIATWDKGBL-LLVKDONJSA-N 1 2 241.294 2.739 20 30 BFEDLO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000589513574 487640530 /nfs/dbraw/zinc/64/05/30/487640530.db2.gz HPPIRQAZDWHALN-IACUBPJLSA-N 1 2 236.334 2.916 20 30 BFEDLO CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000589513574 487640533 /nfs/dbraw/zinc/64/05/33/487640533.db2.gz HPPIRQAZDWHALN-IACUBPJLSA-N 1 2 236.334 2.916 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cn2cccc(F)c2n1 ZINC000678120144 487711513 /nfs/dbraw/zinc/71/15/13/487711513.db2.gz AAGUBWRAGFIVLJ-UHFFFAOYSA-N 1 2 245.301 2.647 20 30 BFEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000671736773 487715873 /nfs/dbraw/zinc/71/58/73/487715873.db2.gz WWJSCOSGZNYCRP-NXEZZACHSA-N 1 2 238.281 2.812 20 30 BFEDLO Cc1cc(N2CCCC(C)(C)C2)c(C#N)c[nH+]1 ZINC000399424108 267335432 /nfs/dbraw/zinc/33/54/32/267335432.db2.gz IPVQXVNYIADUQU-UHFFFAOYSA-N 1 2 229.327 2.888 20 30 BFEDLO C=CCCC(C)(C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000666489592 487820335 /nfs/dbraw/zinc/82/03/35/487820335.db2.gz HRWMOWLMFIAKMI-UHFFFAOYSA-N 1 2 247.342 2.678 20 30 BFEDLO CCc1ccc(CC[NH+]2CC(C)(C#N)C2)cc1 ZINC000570631064 323065333 /nfs/dbraw/zinc/06/53/33/323065333.db2.gz QNJBDJSTHCATHE-UHFFFAOYSA-N 1 2 228.339 2.637 20 30 BFEDLO Cc1ccccc1[C@@H](C)[NH+]1CC(C)(C#N)C1 ZINC000565166475 323127591 /nfs/dbraw/zinc/12/75/91/323127591.db2.gz WGTCYFIZJDFJJX-GFCCVEGCSA-N 1 2 214.312 2.902 20 30 BFEDLO Cc1csc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000563571162 323130429 /nfs/dbraw/zinc/13/04/29/323130429.db2.gz MWGCWKDURIAJPW-MNOVXSKESA-N 1 2 248.355 2.546 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000571295296 323140528 /nfs/dbraw/zinc/14/05/28/323140528.db2.gz UQENAZUPHTYJQN-ZDUSSCGKSA-N 1 2 247.729 2.994 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000536639027 323199330 /nfs/dbraw/zinc/19/93/30/323199330.db2.gz BBPZAJBEDATZAX-UHFFFAOYSA-N 1 2 233.340 2.744 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000536639027 323199331 /nfs/dbraw/zinc/19/93/31/323199331.db2.gz BBPZAJBEDATZAX-UHFFFAOYSA-N 1 2 233.340 2.744 20 30 BFEDLO Cc1cc([NH2+]C[C@H](C#N)CCC#N)cc(C)c1O ZINC000564868160 325820817 /nfs/dbraw/zinc/82/08/17/325820817.db2.gz NRWZEZCLPXRGPC-LBPRGKRZSA-N 1 2 243.310 2.865 20 30 BFEDLO COCC#CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000677819843 488136077 /nfs/dbraw/zinc/13/60/77/488136077.db2.gz BRLBCTAPXWUXGD-AWEZNQCLSA-N 1 2 249.741 2.737 20 30 BFEDLO COCC#CC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000677819843 488136080 /nfs/dbraw/zinc/13/60/80/488136080.db2.gz BRLBCTAPXWUXGD-AWEZNQCLSA-N 1 2 249.741 2.737 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668078264 488199073 /nfs/dbraw/zinc/19/90/73/488199073.db2.gz JEFHPOLGNKWWFB-CYBMUJFWSA-N 1 2 246.358 2.544 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668078264 488199077 /nfs/dbraw/zinc/19/90/77/488199077.db2.gz JEFHPOLGNKWWFB-CYBMUJFWSA-N 1 2 246.358 2.544 20 30 BFEDLO C[C@@H]1C[C@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000488344907 534019118 /nfs/dbraw/zinc/01/91/18/534019118.db2.gz GROHFXZTOWFAER-NEPJUHHUSA-N 1 2 218.300 2.651 20 30 BFEDLO C[C@@H]1C[C@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000488344907 534019124 /nfs/dbraw/zinc/01/91/24/534019124.db2.gz GROHFXZTOWFAER-NEPJUHHUSA-N 1 2 218.300 2.651 20 30 BFEDLO C=CC[C@@H](CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000358508977 534319229 /nfs/dbraw/zinc/31/92/29/534319229.db2.gz VSFXGTLACVUOJV-LBPRGKRZSA-N 1 2 246.285 2.723 20 30 BFEDLO C=C(CC)C[N@H+](C)Cc1nccn1C(F)F ZINC000358624519 534374694 /nfs/dbraw/zinc/37/46/94/534374694.db2.gz LUXFQEYHSVGNOT-UHFFFAOYSA-N 1 2 229.274 2.676 20 30 BFEDLO C=C(CC)C[N@@H+](C)Cc1nccn1C(F)F ZINC000358624519 534374698 /nfs/dbraw/zinc/37/46/98/534374698.db2.gz LUXFQEYHSVGNOT-UHFFFAOYSA-N 1 2 229.274 2.676 20 30 BFEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000358484889 534393916 /nfs/dbraw/zinc/39/39/16/534393916.db2.gz AZEQUZPYOVXXRI-CYBMUJFWSA-N 1 2 235.327 2.928 20 30 BFEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000358484889 534393924 /nfs/dbraw/zinc/39/39/24/534393924.db2.gz AZEQUZPYOVXXRI-CYBMUJFWSA-N 1 2 235.327 2.928 20 30 BFEDLO C=C[C@H]1CCCCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000362836539 534698891 /nfs/dbraw/zinc/69/88/91/534698891.db2.gz HMNBZKQTBRBYLI-NSHDSACASA-N 1 2 242.326 2.811 20 30 BFEDLO C=CC[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339734144 534852933 /nfs/dbraw/zinc/85/29/33/534852933.db2.gz CBNPMBHMTGMXRA-UHFFFAOYSA-N 1 2 237.730 2.893 20 30 BFEDLO C=CC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339734144 534852937 /nfs/dbraw/zinc/85/29/37/534852937.db2.gz CBNPMBHMTGMXRA-UHFFFAOYSA-N 1 2 237.730 2.893 20 30 BFEDLO CC#CCOc1cc(C)[nH+]c2ccccc21 ZINC000486191151 526384792 /nfs/dbraw/zinc/38/47/92/526384792.db2.gz LBCITDOWCWTDSO-UHFFFAOYSA-N 1 2 211.264 2.945 20 30 BFEDLO C#CC[N@@H+](CC)Cc1ncc(Cl)cc1Cl ZINC000490914409 526896531 /nfs/dbraw/zinc/89/65/31/526896531.db2.gz IGDMZEHDUHDVMF-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO C#CC[N@H+](CC)Cc1ncc(Cl)cc1Cl ZINC000490914409 526896537 /nfs/dbraw/zinc/89/65/37/526896537.db2.gz IGDMZEHDUHDVMF-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO CCC(CC)C[N@H+](CCC#N)Cc1cncnc1 ZINC000119175742 535021021 /nfs/dbraw/zinc/02/10/21/535021021.db2.gz JPTOEDCCBVHULA-UHFFFAOYSA-N 1 2 246.358 2.628 20 30 BFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cncnc1 ZINC000119175742 535021032 /nfs/dbraw/zinc/02/10/32/535021032.db2.gz JPTOEDCCBVHULA-UHFFFAOYSA-N 1 2 246.358 2.628 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1ccccc1F ZINC000042530709 535047862 /nfs/dbraw/zinc/04/78/62/535047862.db2.gz MJHOHRPVBSYWRJ-UHFFFAOYSA-N 1 2 220.291 2.950 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1ccccc1F ZINC000042530709 535047865 /nfs/dbraw/zinc/04/78/65/535047865.db2.gz MJHOHRPVBSYWRJ-UHFFFAOYSA-N 1 2 220.291 2.950 20 30 BFEDLO CC(C)(CCc1ccccc1)[NH2+]CC#N ZINC000122378442 535055661 /nfs/dbraw/zinc/05/56/61/535055661.db2.gz HCXUQZQBLFLLLJ-UHFFFAOYSA-N 1 2 202.301 2.511 20 30 BFEDLO Cc1[nH+]cc(C=NNc2cc(C)cc(C)c2)n1C ZINC000853275545 588730315 /nfs/dbraw/zinc/73/03/15/588730315.db2.gz KPQXWPKXDCGXGR-UHFFFAOYSA-N 1 2 242.326 2.791 20 30 BFEDLO CC[N@H+](Cc1cc2c(cc1O)CCC2)[C@@H](C)C#N ZINC000853578875 588749628 /nfs/dbraw/zinc/74/96/28/588749628.db2.gz PHHNZCADPUYCAE-NSHDSACASA-N 1 2 244.338 2.615 20 30 BFEDLO CC[N@@H+](Cc1cc2c(cc1O)CCC2)[C@@H](C)C#N ZINC000853578875 588749629 /nfs/dbraw/zinc/74/96/29/588749629.db2.gz PHHNZCADPUYCAE-NSHDSACASA-N 1 2 244.338 2.615 20 30 BFEDLO Cc1ccccc1C(N)=[NH+]OCC1(CC#N)CC1 ZINC000853637996 588751302 /nfs/dbraw/zinc/75/13/02/588751302.db2.gz XASPLJBQJMDLGO-UHFFFAOYSA-N 1 2 243.310 2.535 20 30 BFEDLO C=C(Cl)CO[NH+]=C(N)Cc1ccccc1C ZINC000853675178 588755023 /nfs/dbraw/zinc/75/50/23/588755023.db2.gz OQFKCGOHUOVVNB-UHFFFAOYSA-N 1 2 238.718 2.788 20 30 BFEDLO C#CCOCCOc1cc(C)[nH+]c2ccccc21 ZINC000853694383 588757235 /nfs/dbraw/zinc/75/72/35/588757235.db2.gz ZFYXHMQIBRYUTD-UHFFFAOYSA-N 1 2 241.290 2.572 20 30 BFEDLO C=C(C)CNN=C(C)C[NH+]1Cc2ccccc2C1 ZINC000811650234 582481105 /nfs/dbraw/zinc/48/11/05/582481105.db2.gz QUBWSWQEMMGLRU-UHFFFAOYSA-N 1 2 243.354 2.544 20 30 BFEDLO C[N@H+](Cc1ccoc1)Cc1csc(C#N)c1 ZINC000891779441 582718924 /nfs/dbraw/zinc/71/89/24/582718924.db2.gz KWUAQGSFNDAILZ-UHFFFAOYSA-N 1 2 232.308 2.845 20 30 BFEDLO C[N@@H+](Cc1ccoc1)Cc1csc(C#N)c1 ZINC000891779441 582718930 /nfs/dbraw/zinc/71/89/30/582718930.db2.gz KWUAQGSFNDAILZ-UHFFFAOYSA-N 1 2 232.308 2.845 20 30 BFEDLO Oc1cccc(/C=[NH+]\[C@@H]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000843263296 582923454 /nfs/dbraw/zinc/92/34/54/582923454.db2.gz JFOIUPSBXFIZTJ-WTMTZIETSA-N 1 2 231.295 2.705 20 30 BFEDLO CC1CC(C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000856718486 588875132 /nfs/dbraw/zinc/87/51/32/588875132.db2.gz LXMJYBBGAKDAEO-RIYZIHGNSA-N 1 2 219.284 2.563 20 30 BFEDLO C=CCC(C)(C)C(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893526446 583157914 /nfs/dbraw/zinc/15/79/14/583157914.db2.gz AENOEDMKOQLJAZ-LLVKDONJSA-N 1 2 248.326 2.782 20 30 BFEDLO CC(C)c1c[nH]c(CN(CC#N)C2CCCC2)[nH+]1 ZINC000894039888 583283437 /nfs/dbraw/zinc/28/34/37/583283437.db2.gz NHWGYIPDPHQKNZ-UHFFFAOYSA-N 1 2 246.358 2.801 20 30 BFEDLO C=C(CC)CNc1cccc([C@H](C)O)[nH+]1 ZINC000894116778 583309333 /nfs/dbraw/zinc/30/93/33/583309333.db2.gz KRMHYULEZLHJEB-JTQLQIEISA-N 1 2 206.289 2.513 20 30 BFEDLO C=CC[N@@H+](Cc1nc(C(C)C)c[nH]1)C1CC1 ZINC000894456735 583464117 /nfs/dbraw/zinc/46/41/17/583464117.db2.gz VSNJALZQYRFRON-UHFFFAOYSA-N 1 2 219.332 2.684 20 30 BFEDLO C=CC[N@H+](Cc1nc(C(C)C)c[nH]1)C1CC1 ZINC000894456735 583464119 /nfs/dbraw/zinc/46/41/19/583464119.db2.gz VSNJALZQYRFRON-UHFFFAOYSA-N 1 2 219.332 2.684 20 30 BFEDLO CC(C)c1c[nH]c(CN(C)CC(C)(C)C#N)[nH+]1 ZINC000894858178 583533211 /nfs/dbraw/zinc/53/32/11/583533211.db2.gz VZPXNIWMDRWVLZ-UHFFFAOYSA-N 1 2 234.347 2.515 20 30 BFEDLO C=CC[N@H+](Cc1nnc(C(C)C)o1)C(C)C ZINC000727025766 583590565 /nfs/dbraw/zinc/59/05/65/583590565.db2.gz KZJORRITRXEKDT-UHFFFAOYSA-N 1 2 223.320 2.589 20 30 BFEDLO C=CC[N@@H+](Cc1nnc(C(C)C)o1)C(C)C ZINC000727025766 583590567 /nfs/dbraw/zinc/59/05/67/583590567.db2.gz KZJORRITRXEKDT-UHFFFAOYSA-N 1 2 223.320 2.589 20 30 BFEDLO Cc1ncoc1C[NH2+]CC1(C#N)CCCCC1 ZINC000895280006 583635745 /nfs/dbraw/zinc/63/57/45/583635745.db2.gz MLRWIQVWJZZBOF-UHFFFAOYSA-N 1 2 233.315 2.547 20 30 BFEDLO CCOc1cccc(/C=[NH+]\CC[C@@H](C)F)c1O ZINC000840708006 583850489 /nfs/dbraw/zinc/85/04/89/583850489.db2.gz ZJCNXRPCBDGCAI-XBDQXEDDSA-N 1 2 239.290 2.958 20 30 BFEDLO COc1cccc(O)c1/C=[NH+]\C[C@@H]1C[C@H]1C1CC1 ZINC000840709213 583854900 /nfs/dbraw/zinc/85/49/00/583854900.db2.gz HZOJDDZOEIAONN-PVASGMGSSA-N 1 2 245.322 2.866 20 30 BFEDLO COc1cccc(/C=[NH+]\[C@@H]2C[C@H]2C(C)C)c1O ZINC000840710416 583866388 /nfs/dbraw/zinc/86/63/88/583866388.db2.gz JFZDUTPOONXGHU-AQXMUXADSA-N 1 2 233.311 2.864 20 30 BFEDLO CC(C)[C@@H]1C[C@H]1/[NH+]=C/c1ccccc1O ZINC000840712579 583880175 /nfs/dbraw/zinc/88/01/75/583880175.db2.gz ZSWCPSGGCXWPIA-MHPRJNMPSA-N 1 2 203.285 2.856 20 30 BFEDLO Oc1cccc(/C=[NH+]/C[C@]23C[C@H]2CCC3)c1O ZINC000899227565 584182403 /nfs/dbraw/zinc/18/24/03/584182403.db2.gz NQRYDKKMUODXIS-RJXTXEIUSA-N 1 2 231.295 2.707 20 30 BFEDLO C[C@@H]1CC2(CC(/[NH+]=C/c3ccccc3O)C2)CO1 ZINC000899231842 584182897 /nfs/dbraw/zinc/18/28/97/584182897.db2.gz IBDYZJHHZKCEOP-XQLVZOCKSA-N 1 2 245.322 2.769 20 30 BFEDLO C[C@@H]1CC2(CC(/[NH+]=C\c3ccccc3O)C2)CO1 ZINC000899231839 584183266 /nfs/dbraw/zinc/18/32/66/584183266.db2.gz IBDYZJHHZKCEOP-ANQDTCIRSA-N 1 2 245.322 2.769 20 30 BFEDLO CCn1c[nH+]cc1/C=C\C(=O)c1scnc1C ZINC000901457867 584450198 /nfs/dbraw/zinc/45/01/98/584450198.db2.gz SYUPFYFDYKSTPH-PLNGDYQASA-N 1 2 247.323 2.564 20 30 BFEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cscn1 ZINC000901490759 584452441 /nfs/dbraw/zinc/45/24/41/584452441.db2.gz XHYWZSMEPANYMC-ONEGZZNKSA-N 1 2 247.323 2.817 20 30 BFEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)sn1 ZINC000902067549 584523015 /nfs/dbraw/zinc/52/30/15/584523015.db2.gz OUTONXLDDRSEBN-UHFFFAOYSA-N 1 2 244.323 2.525 20 30 BFEDLO CCn1c[nH+]c(CNc2cc(C)cc(C#N)c2)c1 ZINC000902586443 584640038 /nfs/dbraw/zinc/64/00/38/584640038.db2.gz OTSAHAIQSHUTEY-UHFFFAOYSA-N 1 2 240.310 2.695 20 30 BFEDLO C=CCCCOc1ccc2c(c1)[nH+]cn2C ZINC000902780055 584669472 /nfs/dbraw/zinc/66/94/72/584669472.db2.gz PDZZWXLZGQAOHB-UHFFFAOYSA-N 1 2 216.284 2.918 20 30 BFEDLO C=C(C)COc1ccc2c(c1)[nH+]cn2C ZINC000902781390 584670398 /nfs/dbraw/zinc/67/03/98/584670398.db2.gz RDFVKPULNLXXSM-UHFFFAOYSA-N 1 2 202.257 2.528 20 30 BFEDLO Fc1ccc(C#CC[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000902994844 584712104 /nfs/dbraw/zinc/71/21/04/584712104.db2.gz JIYQMPWCXRSBQU-CQSZACIVSA-N 1 2 235.277 2.611 20 30 BFEDLO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000902994844 584712105 /nfs/dbraw/zinc/71/21/05/584712105.db2.gz JIYQMPWCXRSBQU-CQSZACIVSA-N 1 2 235.277 2.611 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccnc1Cl ZINC000903100017 584726605 /nfs/dbraw/zinc/72/66/05/584726605.db2.gz GCBUSRNOXPZINS-SECBINFHSA-N 1 2 237.734 2.935 20 30 BFEDLO CCc1noc(C)c1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903099958 584726864 /nfs/dbraw/zinc/72/68/64/584726864.db2.gz DNKCQLSRDMUNQD-SECBINFHSA-N 1 2 235.331 2.746 20 30 BFEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1c(O)cccc1F ZINC000903101800 584727563 /nfs/dbraw/zinc/72/75/63/584727563.db2.gz MSDUYFTVRWJXMV-VIFPVBQESA-N 1 2 236.290 2.732 20 30 BFEDLO CC(C)[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cn1 ZINC000903106732 584728536 /nfs/dbraw/zinc/72/85/36/584728536.db2.gz UPKGQTAWNGQPPY-ZDUSSCGKSA-N 1 2 247.317 2.811 20 30 BFEDLO CCc1cccnc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106593 584728609 /nfs/dbraw/zinc/72/86/09/584728609.db2.gz SBYCROATEIUPIW-NSHDSACASA-N 1 2 229.327 2.598 20 30 BFEDLO CCOc1ccc(/C=[NH+]/C2CCC2)c(O)c1 ZINC000730464688 584911281 /nfs/dbraw/zinc/91/12/81/584911281.db2.gz YMWMIACPMBJXJZ-NTEUORMPSA-N 1 2 219.284 2.762 20 30 BFEDLO O=C1c2cccc(Cl)c2C/C1=C\c1[nH]cc[nH+]1 ZINC000731158760 584923014 /nfs/dbraw/zinc/92/30/14/584923014.db2.gz IEZBJLBRRDAYIN-BQYQJAHWSA-N 1 2 244.681 2.886 20 30 BFEDLO CC(=[NH+]Nc1ccc(F)cn1)c1ccc(N)cc1 ZINC000731321419 584924956 /nfs/dbraw/zinc/92/49/56/584924956.db2.gz IBUTVSWASQYFMT-UHFFFAOYSA-N 1 2 244.273 2.639 20 30 BFEDLO CCCON=C1CCc2ccc[nH+]c2CC1 ZINC000842551382 584968558 /nfs/dbraw/zinc/96/85/58/584968558.db2.gz CACZYUOWOFQRBQ-UHFFFAOYSA-N 1 2 218.300 2.743 20 30 BFEDLO CC(C)[C@H](C)C/[NH+]=C\c1cccc(O)c1O ZINC000739425698 585064756 /nfs/dbraw/zinc/06/47/56/585064756.db2.gz HBFTYFMYHFOXKA-DOQDJBIESA-N 1 2 221.300 2.809 20 30 BFEDLO C#CC[N@@H+](CC)Cc1c(F)cccc1Cl ZINC000746136702 585163616 /nfs/dbraw/zinc/16/36/16/585163616.db2.gz AMKGOYDNYWASBQ-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C#CC[N@H+](CC)Cc1c(F)cccc1Cl ZINC000746136702 585163617 /nfs/dbraw/zinc/16/36/17/585163617.db2.gz AMKGOYDNYWASBQ-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO N#CCC[N@H+](CC1CC1)C[C@@H]1CC1(Cl)Cl ZINC000749117084 585199652 /nfs/dbraw/zinc/19/96/52/585199652.db2.gz QQEJGSBYDBMLRB-JTQLQIEISA-N 1 2 247.169 2.806 20 30 BFEDLO N#CCC[N@@H+](CC1CC1)C[C@@H]1CC1(Cl)Cl ZINC000749117084 585199653 /nfs/dbraw/zinc/19/96/53/585199653.db2.gz QQEJGSBYDBMLRB-JTQLQIEISA-N 1 2 247.169 2.806 20 30 BFEDLO C=C(Cl)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000749334449 585201419 /nfs/dbraw/zinc/20/14/19/585201419.db2.gz BYTCKKXOSHZJBG-UHFFFAOYSA-N 1 2 223.703 2.503 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000749334449 585201420 /nfs/dbraw/zinc/20/14/20/585201420.db2.gz BYTCKKXOSHZJBG-UHFFFAOYSA-N 1 2 223.703 2.503 20 30 BFEDLO C[C@H](Cc1ccncc1)/[NH+]=C/c1ccccc1O ZINC000749844514 585207306 /nfs/dbraw/zinc/20/73/06/585207306.db2.gz KQNOZBXDJNWYPP-PBSOMRJOSA-N 1 2 240.306 2.837 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000753588036 585263155 /nfs/dbraw/zinc/26/31/55/585263155.db2.gz RTCFPZPSZXDNOW-AWEZNQCLSA-N 1 2 248.301 2.657 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000753588036 585263156 /nfs/dbraw/zinc/26/31/56/585263156.db2.gz RTCFPZPSZXDNOW-AWEZNQCLSA-N 1 2 248.301 2.657 20 30 BFEDLO C1CC[C@@H]2[NH+]=C(N=NC3CCCCCC3)N[C@H]2C1 ZINC000753933085 585272054 /nfs/dbraw/zinc/27/20/54/585272054.db2.gz BDSBXRGSPQJRKF-STQMWFEESA-N 1 2 248.374 2.557 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000754369987 585283026 /nfs/dbraw/zinc/28/30/26/585283026.db2.gz ABHBQLSBJHFGDY-IUCAKERBSA-N 1 2 247.169 2.804 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000754369987 585283027 /nfs/dbraw/zinc/28/30/27/585283027.db2.gz ABHBQLSBJHFGDY-IUCAKERBSA-N 1 2 247.169 2.804 20 30 BFEDLO Cn1c[nH+]cc1C=NNc1ccccc1Cl ZINC000755471316 585300286 /nfs/dbraw/zinc/30/02/86/585300286.db2.gz HEPAPLNPKIRMAN-UHFFFAOYSA-N 1 2 234.690 2.520 20 30 BFEDLO Cc1ccc2[nH+]cc(C=NNC3CCCC3)n2c1 ZINC000755690124 585304245 /nfs/dbraw/zinc/30/42/45/585304245.db2.gz YAQAGIYRKVDGHP-UHFFFAOYSA-N 1 2 242.326 2.509 20 30 BFEDLO CCCCCC[C@@H](C)NN=Cc1c[nH+]cn1C ZINC000755753957 585305588 /nfs/dbraw/zinc/30/55/88/585305588.db2.gz OPBGXWGISZDGIA-GFCCVEGCSA-N 1 2 236.363 2.703 20 30 BFEDLO CC(=[NH+]Nc1cc(C)ccn1)c1ccc(N)cc1 ZINC000755903423 585309889 /nfs/dbraw/zinc/30/98/89/585309889.db2.gz QMHONWLZYBLYMN-UHFFFAOYSA-N 1 2 240.310 2.808 20 30 BFEDLO C=C(Cl)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000839534619 585329386 /nfs/dbraw/zinc/32/93/86/585329386.db2.gz UHEUUQDXJMYJSK-SSDOTTSWSA-N 1 2 213.630 2.623 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000839534619 585329387 /nfs/dbraw/zinc/32/93/87/585329387.db2.gz UHEUUQDXJMYJSK-SSDOTTSWSA-N 1 2 213.630 2.623 20 30 BFEDLO C#CCCCC(=O)OCc1ccc(C)[nH+]c1C ZINC000759165713 585364524 /nfs/dbraw/zinc/36/45/24/585364524.db2.gz DBHWGIFIMLMYNS-UHFFFAOYSA-N 1 2 231.295 2.545 20 30 BFEDLO CSc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790299749 585391418 /nfs/dbraw/zinc/39/14/18/585391418.db2.gz JMVWJBSTCDNJQN-UHFFFAOYSA-N 1 2 246.339 2.588 20 30 BFEDLO CC[C@H](C)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000764549422 585467604 /nfs/dbraw/zinc/46/76/04/585467604.db2.gz LHEMKLHNEXDFBV-VIFPVBQESA-N 1 2 238.306 2.817 20 30 BFEDLO Nc1ncccc1C=[NH+]Nc1ccc(Cl)cc1 ZINC000764641222 585469908 /nfs/dbraw/zinc/46/99/08/585469908.db2.gz QBPUHWBYMFAITL-UHFFFAOYSA-N 1 2 246.701 2.763 20 30 BFEDLO C#CC[N@@H+](Cc1cc(F)c(F)cc1F)C1CC1 ZINC000764680757 585470623 /nfs/dbraw/zinc/47/06/23/585470623.db2.gz AFBBBXOYAIDRPV-UHFFFAOYSA-N 1 2 239.240 2.702 20 30 BFEDLO C#CC[N@H+](Cc1cc(F)c(F)cc1F)C1CC1 ZINC000764680757 585470624 /nfs/dbraw/zinc/47/06/24/585470624.db2.gz AFBBBXOYAIDRPV-UHFFFAOYSA-N 1 2 239.240 2.702 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CCOCC1CCC1 ZINC000764889357 585476968 /nfs/dbraw/zinc/47/69/68/585476968.db2.gz RHKANYNVOSTUSH-XNTDXEJSSA-N 1 2 233.311 2.628 20 30 BFEDLO C#CCCCSCc1cc[nH+]c(N(C)C)c1 ZINC000767874637 585527394 /nfs/dbraw/zinc/52/73/94/585527394.db2.gz JVTLKBRMINNVCL-UHFFFAOYSA-N 1 2 234.368 2.794 20 30 BFEDLO CC1(C)CC[C@@H](/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000768270241 585535120 /nfs/dbraw/zinc/53/51/20/585535120.db2.gz XRBIJWAHUYUMJW-XBLUXWHVSA-N 1 2 249.310 2.801 20 30 BFEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)cnc1Cl ZINC000769335240 585554191 /nfs/dbraw/zinc/55/41/91/585554191.db2.gz URQOOUNMKWBCHH-JTQLQIEISA-N 1 2 237.734 2.777 20 30 BFEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)cnc1Cl ZINC000769335240 585554192 /nfs/dbraw/zinc/55/41/92/585554192.db2.gz URQOOUNMKWBCHH-JTQLQIEISA-N 1 2 237.734 2.777 20 30 BFEDLO C#CC[NH+](CC#C)Cc1ccc(F)c(Cl)c1 ZINC000769440809 585556521 /nfs/dbraw/zinc/55/65/21/585556521.db2.gz AZMNBFFBYZTNJT-UHFFFAOYSA-N 1 2 235.689 2.548 20 30 BFEDLO C=CC[N@@H+](Cn1cc(C)cnc1=S)C1CC1 ZINC000771640359 585598174 /nfs/dbraw/zinc/59/81/74/585598174.db2.gz MRSNCHKHQHAQIZ-UHFFFAOYSA-N 1 2 235.356 2.529 20 30 BFEDLO C=CC[N@H+](Cn1cc(C)cnc1=S)C1CC1 ZINC000771640359 585598175 /nfs/dbraw/zinc/59/81/75/585598175.db2.gz MRSNCHKHQHAQIZ-UHFFFAOYSA-N 1 2 235.356 2.529 20 30 BFEDLO NC(=[NH+]OCC1CCCC1)c1ccc(F)cc1 ZINC000771861694 585603054 /nfs/dbraw/zinc/60/30/54/585603054.db2.gz CLKATUBNBHOHTJ-UHFFFAOYSA-N 1 2 236.290 2.653 20 30 BFEDLO C#CCC(C)(C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772364382 585613323 /nfs/dbraw/zinc/61/33/23/585613323.db2.gz XDKCMLXQBQLTEG-UHFFFAOYSA-N 1 2 245.322 2.791 20 30 BFEDLO Cc1ccc2[nH+]cc(C=NOC3CCCC3)n2c1 ZINC000774601558 585661761 /nfs/dbraw/zinc/66/17/61/585661761.db2.gz DLJYPPBKIGLHLF-UHFFFAOYSA-N 1 2 243.310 2.936 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775179238 585673248 /nfs/dbraw/zinc/67/32/48/585673248.db2.gz LYUMZFDAHQNLTJ-MRVPVSSYSA-N 1 2 241.693 2.638 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775179238 585673249 /nfs/dbraw/zinc/67/32/49/585673249.db2.gz LYUMZFDAHQNLTJ-MRVPVSSYSA-N 1 2 241.693 2.638 20 30 BFEDLO C=CC[N@@H+](C)Cn1ccn(C(C)C)c1=S ZINC000777541671 585714461 /nfs/dbraw/zinc/71/44/61/585714461.db2.gz QLUCTJLHFYISOB-UHFFFAOYSA-N 1 2 225.361 2.675 20 30 BFEDLO C=CC[N@H+](C)Cn1ccn(C(C)C)c1=S ZINC000777541671 585714462 /nfs/dbraw/zinc/71/44/62/585714462.db2.gz QLUCTJLHFYISOB-UHFFFAOYSA-N 1 2 225.361 2.675 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000779149476 585745818 /nfs/dbraw/zinc/74/58/18/585745818.db2.gz MGSLJRUOHOWXOF-UHFFFAOYSA-N 1 2 206.289 2.560 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1coc(C2CC2)n1 ZINC000779149476 585745819 /nfs/dbraw/zinc/74/58/19/585745819.db2.gz MGSLJRUOHOWXOF-UHFFFAOYSA-N 1 2 206.289 2.560 20 30 BFEDLO C=CCCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783171219 585828910 /nfs/dbraw/zinc/82/89/10/585828910.db2.gz GGDBBGDRLADYMC-UHFFFAOYSA-N 1 2 236.290 2.833 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncc(Cl)n1C ZINC000785997266 585884803 /nfs/dbraw/zinc/88/48/03/585884803.db2.gz KISJKCUHYSKOJT-JTQLQIEISA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(Cl)n1C ZINC000785997266 585884804 /nfs/dbraw/zinc/88/48/04/585884804.db2.gz KISJKCUHYSKOJT-JTQLQIEISA-N 1 2 239.750 2.614 20 30 BFEDLO CCCCCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789605021 585944659 /nfs/dbraw/zinc/94/46/59/585944659.db2.gz CUCQBBAZFLTDDP-NSHDSACASA-N 1 2 228.336 2.634 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1cc2ccccc2[nH]1 ZINC000789732014 585949314 /nfs/dbraw/zinc/94/93/14/585949314.db2.gz NUNMKECVKFKIBS-UHFFFAOYSA-N 1 2 236.318 2.626 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1cc2ccccc2[nH]1 ZINC000789732014 585949315 /nfs/dbraw/zinc/94/93/15/585949315.db2.gz NUNMKECVKFKIBS-UHFFFAOYSA-N 1 2 236.318 2.626 20 30 BFEDLO Cc1cccc(F)c1N=NC(C)c1[nH]cc[nH+]1 ZINC000790175186 585959412 /nfs/dbraw/zinc/95/94/12/585959412.db2.gz DXYSVLCOEOATHZ-UHFFFAOYSA-N 1 2 232.262 2.693 20 30 BFEDLO CC[C@H](C)N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000790183934 585959954 /nfs/dbraw/zinc/95/99/54/585959954.db2.gz PNMJREMVHDBIGX-LBPRGKRZSA-N 1 2 249.358 2.992 20 30 BFEDLO CC(=NNc1[nH+]ccn1C)c1cc(C)ccc1F ZINC000790300405 585962666 /nfs/dbraw/zinc/96/26/66/585962666.db2.gz XPRHOXUJOPIDFL-UHFFFAOYSA-N 1 2 246.289 2.704 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1cccc(Cl)c1 ZINC000790300056 585962743 /nfs/dbraw/zinc/96/27/43/585962743.db2.gz OMGZWRRLISXGDN-UHFFFAOYSA-N 1 2 234.690 2.520 20 30 BFEDLO CC(=NNc1[nH+]ccn1C)c1cc(C)sc1C ZINC000790302858 585963025 /nfs/dbraw/zinc/96/30/25/585963025.db2.gz YPKLWWMZACJDDN-UHFFFAOYSA-N 1 2 248.355 2.935 20 30 BFEDLO C=CCCC/[NH+]=C/c1cc(OC)ccc1O ZINC000790597770 585966724 /nfs/dbraw/zinc/96/67/24/585966724.db2.gz DYPDVLFARQOAEX-GXDHUFHOSA-N 1 2 219.284 2.786 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1ncccc1Cl ZINC000859280708 589027166 /nfs/dbraw/zinc/02/71/66/589027166.db2.gz NNTCZWJYNZEUSU-UHFFFAOYSA-N 1 2 222.719 2.579 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1ncccc1Cl ZINC000859280708 589027168 /nfs/dbraw/zinc/02/71/68/589027168.db2.gz NNTCZWJYNZEUSU-UHFFFAOYSA-N 1 2 222.719 2.579 20 30 BFEDLO Cc1ccnc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000792229562 585998300 /nfs/dbraw/zinc/99/83/00/585998300.db2.gz HKRLLBVTTQPFRX-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO Cc1ccnc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000792229562 585998301 /nfs/dbraw/zinc/99/83/01/585998301.db2.gz HKRLLBVTTQPFRX-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cc(OC)ccc1Cl ZINC000792234842 585998358 /nfs/dbraw/zinc/99/83/58/585998358.db2.gz GWCRXKVDTADMPY-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO C#CC[N@H+](CC)Cc1cc(OC)ccc1Cl ZINC000792234842 585998359 /nfs/dbraw/zinc/99/83/59/585998359.db2.gz GWCRXKVDTADMPY-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO C=C(Cl)C[N@H+](CCC)[C@H](CC)C(=O)OCC ZINC000792375116 586000522 /nfs/dbraw/zinc/00/05/22/586000522.db2.gz GINXZOGTRKZWQI-LLVKDONJSA-N 1 2 247.766 2.793 20 30 BFEDLO C=C(Cl)C[N@@H+](CCC)[C@H](CC)C(=O)OCC ZINC000792375116 586000521 /nfs/dbraw/zinc/00/05/21/586000521.db2.gz GINXZOGTRKZWQI-LLVKDONJSA-N 1 2 247.766 2.793 20 30 BFEDLO CC[C@H](C)CON=C(C)c1cn(C)c(C)[nH+]1 ZINC000793144511 586011523 /nfs/dbraw/zinc/01/15/23/586011523.db2.gz DHDYSLYOSNTCPF-VIFPVBQESA-N 1 2 223.320 2.515 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2CC[C@@H]2C)c1 ZINC000794675393 586046485 /nfs/dbraw/zinc/04/64/85/586046485.db2.gz AEQXENMQCYJDAV-JXPSKLBISA-N 1 2 219.284 2.618 20 30 BFEDLO C[C@@H]1CSC[C@@H]1/[NH+]=C/c1ccccc1O ZINC000794677806 586046572 /nfs/dbraw/zinc/04/65/72/586046572.db2.gz YNZFTBISMRGEJI-RUKLEDKNSA-N 1 2 221.325 2.563 20 30 BFEDLO COc1cccc(/C=[NH+]\[C@@H]2CC[C@@H]2C)c1O ZINC000794677500 586046835 /nfs/dbraw/zinc/04/68/35/586046835.db2.gz VNLRZEDBQJCELI-YSIBGWOOSA-N 1 2 219.284 2.618 20 30 BFEDLO Cc1cc(C(N)=[NH+]OCCCCF)ccc1F ZINC000795205998 586071580 /nfs/dbraw/zinc/07/15/80/586071580.db2.gz MCYQPUZEUICDSG-UHFFFAOYSA-N 1 2 242.269 2.521 20 30 BFEDLO CC[C@@H]1C[C@H]1/[NH+]=C/c1cc(OC)ccc1O ZINC000797784612 586131249 /nfs/dbraw/zinc/13/12/49/586131249.db2.gz BGBLNGXJAZEAAH-IRRDXNDKSA-N 1 2 219.284 2.618 20 30 BFEDLO Cn1c[nH+]c(/C=C2\CCc3ccccc3C2=O)c1 ZINC000798231457 586141168 /nfs/dbraw/zinc/14/11/68/586141168.db2.gz HQXAKZLLYBZWQR-XYOKQWHBSA-N 1 2 238.290 2.633 20 30 BFEDLO C=C[C@H]([NH2+]CC1CCCCCCC1)C(=O)OC ZINC000799977315 586204784 /nfs/dbraw/zinc/20/47/84/586204784.db2.gz CKKISTAYNUQFQH-ZDUSSCGKSA-N 1 2 239.359 2.664 20 30 BFEDLO Cc1ccc2c(c1)C/C(=C\c1cn(C)c[nH+]1)C2=O ZINC000800793934 586229192 /nfs/dbraw/zinc/22/91/92/586229192.db2.gz SQBPXUMBDUTPOC-KPKJPENVSA-N 1 2 238.290 2.551 20 30 BFEDLO Cc1[nH+]c(C(C)N=Nc2ccccc2F)cn1C ZINC000800810576 586230482 /nfs/dbraw/zinc/23/04/82/586230482.db2.gz VWQAJJFJYBFYLI-UHFFFAOYSA-N 1 2 246.289 2.704 20 30 BFEDLO CC(=NOC1CCCCC1)c1cn(C)c(C)[nH+]1 ZINC000800816292 586232658 /nfs/dbraw/zinc/23/26/58/586232658.db2.gz IHJZRZKJJILJMN-UHFFFAOYSA-N 1 2 235.331 2.802 20 30 BFEDLO O=C1c2c(cccc2Cl)O/C1=C\c1[nH]cc[nH+]1 ZINC000811697371 586565741 /nfs/dbraw/zinc/56/57/41/586565741.db2.gz CWVFBHOZFUZKBH-TWGQIWQCSA-N 1 2 246.653 2.679 20 30 BFEDLO CC(C[NH+]1Cc2ccccc2C1)=NOCC1CC1 ZINC000814241248 586619376 /nfs/dbraw/zinc/61/93/76/586619376.db2.gz KXYXHHZDLNMQSG-UHFFFAOYSA-N 1 2 244.338 2.805 20 30 BFEDLO Cc1ccc(CCC=NOCC2CC2)c[nH+]1 ZINC000814244000 586619761 /nfs/dbraw/zinc/61/97/61/586619761.db2.gz XMPYBVHFTLQOPI-UHFFFAOYSA-N 1 2 218.300 2.735 20 30 BFEDLO Cc1cc(Cl)cc(C=NNc2[nH+]ccn2C)c1 ZINC000814918653 586650742 /nfs/dbraw/zinc/65/07/42/586650742.db2.gz ZCYGGSHHMLNEFE-UHFFFAOYSA-N 1 2 248.717 2.828 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1c(F)ccc(O)c1F ZINC000816563439 586740546 /nfs/dbraw/zinc/74/05/46/586740546.db2.gz XUTNATXRWFNURY-UHFFFAOYSA-N 1 2 233.645 2.513 20 30 BFEDLO Fc1ccc[nH+]c1NNC=CC(F)(F)F ZINC000817327576 586794868 /nfs/dbraw/zinc/79/48/68/586794868.db2.gz KVNUYDLQVYDDTM-UHFFFAOYSA-N 1 2 221.157 2.571 20 30 BFEDLO CCCCCCCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819768120 586991739 /nfs/dbraw/zinc/99/17/39/586991739.db2.gz JQYLUXJRTJHHHN-SNVBAGLBSA-N 1 2 242.388 2.954 20 30 BFEDLO CCC(CC)NN=Cc1c[nH+]cn1C(C)C ZINC000819808154 586995739 /nfs/dbraw/zinc/99/57/39/586995739.db2.gz KZOOZOUQKFNNJC-UHFFFAOYSA-N 1 2 222.336 2.576 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NNCc1ccccc1 ZINC000819805294 586995862 /nfs/dbraw/zinc/99/58/62/586995862.db2.gz SVJBLEZCQWRAEB-UHFFFAOYSA-N 1 2 242.326 2.588 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N1CCCCC1 ZINC000820596237 587057565 /nfs/dbraw/zinc/05/75/65/587057565.db2.gz SETUPILPINJYKC-UHFFFAOYSA-N 1 2 244.338 2.864 20 30 BFEDLO Nc1ccc(/C=C/C(=O)c2cccc(F)c2)c[nH+]1 ZINC000821023071 587089400 /nfs/dbraw/zinc/08/94/00/587089400.db2.gz XQEFILBJDTXCAB-GQCTYLIASA-N 1 2 242.253 2.699 20 30 BFEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000821785790 587138025 /nfs/dbraw/zinc/13/80/25/587138025.db2.gz HDZUAZLWTVUPIB-TUAOUCFPSA-N 1 2 247.342 2.607 20 30 BFEDLO C=CCCC(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822315715 587161899 /nfs/dbraw/zinc/16/18/99/587161899.db2.gz SNOBEQNPMZKBII-UHFFFAOYSA-N 1 2 236.315 2.717 20 30 BFEDLO C#CC[N@@H+](Cc1c(F)cc(C)cc1F)C1CC1 ZINC000822470418 587170162 /nfs/dbraw/zinc/17/01/62/587170162.db2.gz OYQHRPXEPRORRY-UHFFFAOYSA-N 1 2 235.277 2.871 20 30 BFEDLO C#CC[N@H+](Cc1c(F)cc(C)cc1F)C1CC1 ZINC000822470418 587170164 /nfs/dbraw/zinc/17/01/64/587170164.db2.gz OYQHRPXEPRORRY-UHFFFAOYSA-N 1 2 235.277 2.871 20 30 BFEDLO C=CCC(F)(F)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836302 587242293 /nfs/dbraw/zinc/24/22/93/587242293.db2.gz IIMKFTUNFDCATK-UHFFFAOYSA-N 1 2 240.253 2.848 20 30 BFEDLO C#CC[C@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000826578334 587355569 /nfs/dbraw/zinc/35/55/69/587355569.db2.gz ASJWGTRNNFNLKJ-ZDUSSCGKSA-N 1 2 243.354 2.840 20 30 BFEDLO CC(C)c1ncc(C[NH+]2CC(CC#N)C2)s1 ZINC000826990683 587367436 /nfs/dbraw/zinc/36/74/36/587367436.db2.gz LESTUJSYTJVKFV-UHFFFAOYSA-N 1 2 235.356 2.612 20 30 BFEDLO CC(C)CC(=O)CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000828094393 587419318 /nfs/dbraw/zinc/41/93/18/587419318.db2.gz QFXLZUUYEMFGRF-LBPRGKRZSA-N 1 2 236.359 2.616 20 30 BFEDLO CC(C)CC(=O)CC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000828094393 587419320 /nfs/dbraw/zinc/41/93/20/587419320.db2.gz QFXLZUUYEMFGRF-LBPRGKRZSA-N 1 2 236.359 2.616 20 30 BFEDLO CC(C)C1CCC(C=[NH+]n2ccnn2)CC1 ZINC000835012200 587777896 /nfs/dbraw/zinc/77/78/96/587777896.db2.gz UNZJBUFCEXDTEI-UHFFFAOYSA-N 1 2 220.320 2.574 20 30 BFEDLO CC(C)(O)C(C)(C)C/[NH+]=C\c1ccccc1O ZINC000840710035 587917846 /nfs/dbraw/zinc/91/78/46/587917846.db2.gz NTBBOCBWXDIEQO-DHDCSXOGSA-N 1 2 235.327 2.608 20 30 BFEDLO Cc1ccccc1C(N)=[NH+]OCC1(C#N)CCC1 ZINC000842012977 587988844 /nfs/dbraw/zinc/98/88/44/587988844.db2.gz DLCOEXBFNFVPPE-UHFFFAOYSA-N 1 2 243.310 2.535 20 30 BFEDLO C=CCCCCO[NH+]=C(N)COc1ccccc1 ZINC000842020371 587989567 /nfs/dbraw/zinc/98/95/67/587989567.db2.gz IOPWGBCXYRHWKE-UHFFFAOYSA-N 1 2 248.326 2.920 20 30 BFEDLO C[C@@H]1CCC[C@@H]1/[NH+]=C/c1ccccc1O ZINC000105356657 588142925 /nfs/dbraw/zinc/14/29/25/588142925.db2.gz HXRMSQFUIYIQOJ-AUNFNBNVSA-N 1 2 203.285 3.000 20 30 BFEDLO Oc1cccc(/C=[NH+]/C2CC3(CCC3)C2)c1O ZINC000844272050 588178788 /nfs/dbraw/zinc/17/87/88/588178788.db2.gz UJGWVNKXQPRJNF-OQLLNIDSSA-N 1 2 231.295 2.849 20 30 BFEDLO C=C[C@H](C)ON=CCCc1c[nH+]ccc1C ZINC000844626334 588211554 /nfs/dbraw/zinc/21/15/54/588211554.db2.gz URXZECHKGBYDGU-LBPRGKRZSA-N 1 2 218.300 2.900 20 30 BFEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000847025910 588303942 /nfs/dbraw/zinc/30/39/42/588303942.db2.gz XHEYSOIWKVTYNH-RYUDHWBXSA-N 1 2 247.342 2.599 20 30 BFEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000847025910 588303943 /nfs/dbraw/zinc/30/39/43/588303943.db2.gz XHEYSOIWKVTYNH-RYUDHWBXSA-N 1 2 247.342 2.599 20 30 BFEDLO CCCCCC(C)=NNCCCn1cc[nH+]c1 ZINC000848419455 588382869 /nfs/dbraw/zinc/38/28/69/588382869.db2.gz VDTRSLMQAAZWGQ-UHFFFAOYSA-N 1 2 236.363 2.819 20 30 BFEDLO C#C[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000848751358 588411726 /nfs/dbraw/zinc/41/17/26/588411726.db2.gz XQFYWRFZDFJEAT-LBPRGKRZSA-N 1 2 241.338 2.512 20 30 BFEDLO C=CC[N@@H+](CC(=O)OCC)Cc1cccc(C)c1 ZINC000110054746 588609731 /nfs/dbraw/zinc/60/97/31/588609731.db2.gz INQHDFLGTOBPEA-UHFFFAOYSA-N 1 2 247.338 2.546 20 30 BFEDLO C=CC[N@H+](CC(=O)OCC)Cc1cccc(C)c1 ZINC000110054746 588609732 /nfs/dbraw/zinc/60/97/32/588609732.db2.gz INQHDFLGTOBPEA-UHFFFAOYSA-N 1 2 247.338 2.546 20 30 BFEDLO C#CC[C@@H]([NH2+]Cc1coc(C)n1)c1ccccc1 ZINC000851900897 588641784 /nfs/dbraw/zinc/64/17/84/588641784.db2.gz IUFYCQWLQYPYJN-OAHLLOKOSA-N 1 2 240.306 2.837 20 30 BFEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(CCCC)no1 ZINC000852099295 588662878 /nfs/dbraw/zinc/66/28/78/588662878.db2.gz JHJSLZAOFGFPNJ-SMDDNHRTSA-N 1 2 249.358 2.865 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000852319571 588677981 /nfs/dbraw/zinc/67/79/81/588677981.db2.gz PGKNCKKJCIMOIL-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000852319571 588677982 /nfs/dbraw/zinc/67/79/82/588677982.db2.gz PGKNCKKJCIMOIL-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000852687215 588696268 /nfs/dbraw/zinc/69/62/68/588696268.db2.gz QUYYULJXRZVLQC-UWVGGRQHSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000852687215 588696269 /nfs/dbraw/zinc/69/62/69/588696269.db2.gz QUYYULJXRZVLQC-UWVGGRQHSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000852687217 588696308 /nfs/dbraw/zinc/69/63/08/588696308.db2.gz QUYYULJXRZVLQC-ZJUUUORDSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000852687217 588696309 /nfs/dbraw/zinc/69/63/09/588696309.db2.gz QUYYULJXRZVLQC-ZJUUUORDSA-N 1 2 247.169 2.806 20 30 BFEDLO C#CC[N@@H+](Cc1cnc(C)o1)Cc1ccccc1 ZINC000862366384 589204336 /nfs/dbraw/zinc/20/43/36/589204336.db2.gz QICXIOVXONMDGC-UHFFFAOYSA-N 1 2 240.306 2.618 20 30 BFEDLO C#CC[N@H+](Cc1cnc(C)o1)Cc1ccccc1 ZINC000862366384 589204337 /nfs/dbraw/zinc/20/43/37/589204337.db2.gz QICXIOVXONMDGC-UHFFFAOYSA-N 1 2 240.306 2.618 20 30 BFEDLO CC[C@H]1CCCC[C@H]1C[N@@H+](CC#N)CCOC ZINC000862388809 589207334 /nfs/dbraw/zinc/20/73/34/589207334.db2.gz KMAZKMKBOJWLGE-KBPBESRZSA-N 1 2 238.375 2.675 20 30 BFEDLO CC[C@H]1CCCC[C@H]1C[N@H+](CC#N)CCOC ZINC000862388809 589207335 /nfs/dbraw/zinc/20/73/35/589207335.db2.gz KMAZKMKBOJWLGE-KBPBESRZSA-N 1 2 238.375 2.675 20 30 BFEDLO C#CC[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000862444612 589213872 /nfs/dbraw/zinc/21/38/72/589213872.db2.gz DEQSBUWDMDJCTQ-SECBINFHSA-N 1 2 240.759 2.642 20 30 BFEDLO C#CC[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000862444612 589213873 /nfs/dbraw/zinc/21/38/73/589213873.db2.gz DEQSBUWDMDJCTQ-SECBINFHSA-N 1 2 240.759 2.642 20 30 BFEDLO C#Cc1cccc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865521482 589442649 /nfs/dbraw/zinc/44/26/49/589442649.db2.gz YLFMXVGKMXJHIG-UHFFFAOYSA-N 1 2 237.306 2.811 20 30 BFEDLO C=C(C)CN(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865663128 589455314 /nfs/dbraw/zinc/45/53/14/589455314.db2.gz LGEGLTDQLKLUPP-UHFFFAOYSA-N 1 2 236.706 2.575 20 30 BFEDLO C[C@H](O)c1ccc(NCC(C)(C)CCC#N)[nH+]c1 ZINC000865810762 589462856 /nfs/dbraw/zinc/46/28/56/589462856.db2.gz RYNKQSRDOHGMMP-NSHDSACASA-N 1 2 247.342 2.877 20 30 BFEDLO CC(C)=CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866348208 589487557 /nfs/dbraw/zinc/48/75/57/589487557.db2.gz QFRNKMVMCVYNSE-NSHDSACASA-N 1 2 230.311 2.881 20 30 BFEDLO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1O ZINC000866378791 589488929 /nfs/dbraw/zinc/48/89/29/589488929.db2.gz AFPRNDZTNRFOAH-FOUMNBMASA-N 1 2 242.322 2.713 20 30 BFEDLO C[C@@H]([NH2+]CC1CC(C)C1)c1cccc(C#N)c1O ZINC000866393664 589489499 /nfs/dbraw/zinc/48/94/99/589489499.db2.gz QSCAHRSFNIGPOC-MOENNCHZSA-N 1 2 244.338 2.961 20 30 BFEDLO C[C@@H]1CCC[C@H](C2C[NH+](CCC#N)C2)C1 ZINC000871991069 589854588 /nfs/dbraw/zinc/85/45/88/589854588.db2.gz OGRMTYVQESZZBG-NEPJUHHUSA-N 1 2 206.333 2.658 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1ccoc1 ZINC000124028040 589906880 /nfs/dbraw/zinc/90/68/80/589906880.db2.gz SWOGZUNVADVZMO-UHFFFAOYSA-N 1 2 206.289 2.651 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1ccoc1 ZINC000124028040 589906881 /nfs/dbraw/zinc/90/68/81/589906881.db2.gz SWOGZUNVADVZMO-UHFFFAOYSA-N 1 2 206.289 2.651 20 30 BFEDLO Cc1scc(C=NNc2[nH+]ccn2C)c1C ZINC000872369400 589922288 /nfs/dbraw/zinc/92/22/88/589922288.db2.gz BRRYPWAFFVUVSN-UHFFFAOYSA-N 1 2 234.328 2.544 20 30 BFEDLO C=C(C)CN(CC)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124901070 590097523 /nfs/dbraw/zinc/09/75/23/590097523.db2.gz ZBKNLUYSMFYVNU-LLVKDONJSA-N 1 2 220.316 2.537 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(Cl)cs1 ZINC000877364000 590319439 /nfs/dbraw/zinc/31/94/39/590319439.db2.gz JVWULRWQJWEJGE-ZETCQYMHSA-N 1 2 229.736 2.578 20 30 BFEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000877561927 590359531 /nfs/dbraw/zinc/35/95/31/590359531.db2.gz NNXCNLGBPVRHSK-LBPRGKRZSA-N 1 2 247.729 2.591 20 30 BFEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000877561927 590359534 /nfs/dbraw/zinc/35/95/34/590359534.db2.gz NNXCNLGBPVRHSK-LBPRGKRZSA-N 1 2 247.729 2.591 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877616559 590374463 /nfs/dbraw/zinc/37/44/63/590374463.db2.gz DWBSANUEZJGZRS-SECBINFHSA-N 1 2 240.759 2.642 20 30 BFEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877616559 590374465 /nfs/dbraw/zinc/37/44/65/590374465.db2.gz DWBSANUEZJGZRS-SECBINFHSA-N 1 2 240.759 2.642 20 30 BFEDLO C=C(Cl)C[C@@H]([NH2+]C[C@@H](C)CC)C(=O)OCC ZINC000877671605 590389424 /nfs/dbraw/zinc/38/94/24/590389424.db2.gz LMIONNBMMRDVBA-GXSJLCMTSA-N 1 2 247.766 2.696 20 30 BFEDLO C=CC[N@H+](Cc1nc(C2CCC2)no1)C(C)C ZINC000877976088 590463972 /nfs/dbraw/zinc/46/39/72/590463972.db2.gz LETBKGYQLBOKKI-UHFFFAOYSA-N 1 2 235.331 2.734 20 30 BFEDLO C=CC[N@@H+](Cc1nc(C2CCC2)no1)C(C)C ZINC000877976088 590463974 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ZINC000934514897 631897454 /nfs/dbraw/zinc/89/74/54/631897454.db2.gz OOILKTXFUMWCGL-ZDUSSCGKSA-N 1 2 234.730 2.723 20 30 BFEDLO CC(C)(C#N)CCCO[NH+]=C(N)c1ccccc1 ZINC000177726880 632868998 /nfs/dbraw/zinc/86/89/98/632868998.db2.gz ILABPBJPYOQLEM-UHFFFAOYSA-N 1 2 245.326 2.653 20 30 BFEDLO CC(C)CNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783865158 633179865 /nfs/dbraw/zinc/17/98/65/633179865.db2.gz WGJBODCPIHLCCH-UHFFFAOYSA-N 1 2 248.355 2.513 20 30 BFEDLO C=C(C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908928246 639103231 /nfs/dbraw/zinc/10/32/31/639103231.db2.gz BKODZMPGKLMASY-UHFFFAOYSA-N 1 2 232.327 2.703 20 30 BFEDLO C[C@H](C#N)[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC1 ZINC000930973321 640007825 /nfs/dbraw/zinc/00/78/25/640007825.db2.gz HZOKZOYAUOYNDE-PKZYVASSSA-N 1 2 240.297 2.654 20 30 BFEDLO C[C@H](C#N)[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC1 ZINC000930973321 640007835 /nfs/dbraw/zinc/00/78/35/640007835.db2.gz HZOKZOYAUOYNDE-PKZYVASSSA-N 1 2 240.297 2.654 20 30 BFEDLO 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C#CC[N@@H+](Cc1csc(CC)n1)C(C)(C)C ZINC000932466208 640536362 /nfs/dbraw/zinc/53/63/62/640536362.db2.gz VKWGTZLWQBGRAR-UHFFFAOYSA-N 1 2 236.384 2.939 20 30 BFEDLO C#CC[N@H+](Cc1csc(CC)n1)C(C)(C)C ZINC000932466208 640536367 /nfs/dbraw/zinc/53/63/67/640536367.db2.gz VKWGTZLWQBGRAR-UHFFFAOYSA-N 1 2 236.384 2.939 20 30 BFEDLO C=C[C@@H](CC)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000932615499 640588628 /nfs/dbraw/zinc/58/86/28/640588628.db2.gz QRCCDCOJJRPFII-NSHDSACASA-N 1 2 243.310 2.875 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1nc(C)c(C)s1 ZINC000167869776 640758756 /nfs/dbraw/zinc/75/87/56/640758756.db2.gz ACIRETAHLODXMX-UHFFFAOYSA-N 1 2 216.737 2.602 20 30 BFEDLO Cc1cc(C(N)=[NH+]OCC2CCC2)ccc1F ZINC000157989422 640781945 /nfs/dbraw/zinc/78/19/45/640781945.db2.gz IEWNEMPGPAZSNZ-UHFFFAOYSA-N 1 2 236.290 2.571 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CCCOCC1CC1 ZINC000061242244 640943543 /nfs/dbraw/zinc/94/35/43/640943543.db2.gz QEGUDGVVUQDHPE-XNTDXEJSSA-N 1 2 233.311 2.628 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1noc2c1CCCC2 ZINC000934511419 641178709 /nfs/dbraw/zinc/17/87/09/641178709.db2.gz NFRVRSGPPUHAED-GFCCVEGCSA-N 1 2 244.338 2.541 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC000934511419 641178710 /nfs/dbraw/zinc/17/87/10/641178710.db2.gz NFRVRSGPPUHAED-GFCCVEGCSA-N 1 2 244.338 2.541 20 30 BFEDLO C=CC[C@@H](CC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935798622 641486464 /nfs/dbraw/zinc/48/64/64/641486464.db2.gz HDATVLDTTDUNDV-LLVKDONJSA-N 1 2 243.310 2.647 20 30 BFEDLO C#CCCC/[NH+]=C/c1cc(OCC)ccc1O ZINC000189649649 641816082 /nfs/dbraw/zinc/81/60/82/641816082.db2.gz GGFSFSRPYQCGSM-RVDMUPIBSA-N 1 2 231.295 2.623 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1CC(=C)Br ZINC000306508745 642745714 /nfs/dbraw/zinc/74/57/14/642745714.db2.gz ITDWVUCTVJFRPG-JTQLQIEISA-N 1 2 230.149 2.936 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=C)Br ZINC000306508745 642745719 /nfs/dbraw/zinc/74/57/19/642745719.db2.gz ITDWVUCTVJFRPG-JTQLQIEISA-N 1 2 230.149 2.936 20 30 BFEDLO C=CCCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181072060 642836627 /nfs/dbraw/zinc/83/66/27/642836627.db2.gz LVASUKGVXGAUQV-UHFFFAOYSA-N 1 2 242.278 2.605 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070634644 643052458 /nfs/dbraw/zinc/05/24/58/643052458.db2.gz VNXKEWDCABQSNE-QMMMGPOBSA-N 1 2 216.737 2.855 20 30 BFEDLO C=C(Cl)C[N@@H+](CCOC)Cc1ccccc1 ZINC000071805596 643185996 /nfs/dbraw/zinc/18/59/96/643185996.db2.gz AEDYGDSJUQXEGS-UHFFFAOYSA-N 1 2 239.746 2.888 20 30 BFEDLO C=C(Cl)C[N@H+](CCOC)Cc1ccccc1 ZINC000071805596 643186000 /nfs/dbraw/zinc/18/60/00/643186000.db2.gz AEDYGDSJUQXEGS-UHFFFAOYSA-N 1 2 239.746 2.888 20 30 BFEDLO Cc1cc(C#N)cc(C)c1C[NH2+]CC(C)(F)F ZINC000922149123 643873324 /nfs/dbraw/zinc/87/33/24/643873324.db2.gz MWBVSJCZRITMIS-UHFFFAOYSA-N 1 2 238.281 2.920 20 30 BFEDLO CC[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(C#N)c1O ZINC000926615943 645315563 /nfs/dbraw/zinc/31/55/63/645315563.db2.gz QGHCKISNFACRBU-QWHCGFSZSA-N 1 2 242.322 2.857 20 30 BFEDLO CC[C@H]([NH2+][C@H]1CC12CC2)c1cccc(C#N)c1O ZINC000926615945 645316530 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/nfs/dbraw/zinc/30/79/21/978307921.db2.gz QSMCNZKNEHFLKV-RKDXNWHRSA-N 1 2 224.304 2.552 20 30 BFEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(C#N)s1 ZINC001232842248 978307929 /nfs/dbraw/zinc/30/79/29/978307929.db2.gz QSMCNZKNEHFLKV-RKDXNWHRSA-N 1 2 224.304 2.552 20 30 BFEDLO Cc1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)c(C#N)c1 ZINC001232963138 978364392 /nfs/dbraw/zinc/36/43/92/978364392.db2.gz YHNFQSHNAJSAMF-BXUZGUMPSA-N 1 2 232.302 2.799 20 30 BFEDLO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)c(C#N)c1 ZINC001232963138 978364407 /nfs/dbraw/zinc/36/44/07/978364407.db2.gz YHNFQSHNAJSAMF-BXUZGUMPSA-N 1 2 232.302 2.799 20 30 BFEDLO C=C[C@](C)(CC)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597811930 978375882 /nfs/dbraw/zinc/37/58/82/978375882.db2.gz MPYCMRBJPPVRJS-CQSZACIVSA-N 1 2 249.358 2.752 20 30 BFEDLO C=C[C@](C)(CC)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597811930 978375894 /nfs/dbraw/zinc/37/58/94/978375894.db2.gz MPYCMRBJPPVRJS-CQSZACIVSA-N 1 2 249.358 2.752 20 30 BFEDLO C[C@@]1(F)CCCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046174 978428864 /nfs/dbraw/zinc/42/88/64/978428864.db2.gz OWMBVXCSPWSTPP-CYBMUJFWSA-N 1 2 235.306 2.600 20 30 BFEDLO C[C@@]1(F)CCCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046174 978428873 /nfs/dbraw/zinc/42/88/73/978428873.db2.gz OWMBVXCSPWSTPP-CYBMUJFWSA-N 1 2 235.306 2.600 20 30 BFEDLO C[C@]1(F)CCCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046175 978431851 /nfs/dbraw/zinc/43/18/51/978431851.db2.gz OWMBVXCSPWSTPP-ZDUSSCGKSA-N 1 2 235.306 2.600 20 30 BFEDLO C[C@]1(F)CCCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233046175 978431857 /nfs/dbraw/zinc/43/18/57/978431857.db2.gz OWMBVXCSPWSTPP-ZDUSSCGKSA-N 1 2 235.306 2.600 20 30 BFEDLO N#Cc1cc[nH]c1C[NH+]1CC2(C1)CCCCC2 ZINC001233047664 978436365 /nfs/dbraw/zinc/43/63/65/978436365.db2.gz HVQCSSRERSRPID-UHFFFAOYSA-N 1 2 229.327 2.652 20 30 BFEDLO N#CC1(C[NH2+]Cc2cnsc2)CCCCC1 ZINC001179173070 978673855 /nfs/dbraw/zinc/67/38/55/978673855.db2.gz HTSCWFXFHBHBBY-UHFFFAOYSA-N 1 2 235.356 2.707 20 30 BFEDLO Cc1noc(Nc2ccc(C)[nH+]c2C)c1C#N ZINC001203362495 978877909 /nfs/dbraw/zinc/87/79/09/978877909.db2.gz ALZZBEVAMCVONN-UHFFFAOYSA-N 1 2 228.255 2.610 20 30 BFEDLO Cc1cnc(F)c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001235336729 979029094 /nfs/dbraw/zinc/02/90/94/979029094.db2.gz DANMUDOVICOSKY-UHFFFAOYSA-N 1 2 247.317 2.655 20 30 BFEDLO Nc1ccc(-c2ccc(CS)cc2)c[nH+]1 ZINC001236317199 979508809 /nfs/dbraw/zinc/50/88/09/979508809.db2.gz QSLNKSVLCGLQKQ-UHFFFAOYSA-N 1 2 216.309 2.761 20 30 BFEDLO Nc1ccc(-c2ccccc2CS)c[nH+]1 ZINC001236315129 979524518 /nfs/dbraw/zinc/52/45/18/979524518.db2.gz HTCJRZXJHYWXJD-UHFFFAOYSA-N 1 2 216.309 2.761 20 30 BFEDLO COc1c(C)cccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001237505195 979923548 /nfs/dbraw/zinc/92/35/48/979923548.db2.gz DPOHFHHUJIMJNH-OAHLLOKOSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1c(C)cccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001237505195 979923554 /nfs/dbraw/zinc/92/35/54/979923554.db2.gz DPOHFHHUJIMJNH-OAHLLOKOSA-N 1 2 244.338 2.739 20 30 BFEDLO CCOc1cc(C[N@H+](C)CCC#N)ccc1C ZINC001238068809 980138122 /nfs/dbraw/zinc/13/81/22/980138122.db2.gz HNGUJRFOORKWMX-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO CCOc1cc(C[N@@H+](C)CCC#N)ccc1C ZINC001238068809 980138126 /nfs/dbraw/zinc/13/81/26/980138126.db2.gz HNGUJRFOORKWMX-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO CN(C)c1cc(CSCCCC#N)cc[nH+]1 ZINC001343548807 980147543 /nfs/dbraw/zinc/14/75/43/980147543.db2.gz WTXWYCZYDMUPLK-UHFFFAOYSA-N 1 2 235.356 2.685 20 30 BFEDLO CCc1cn(Cc2c(C)cc(C#N)cc2C)c[nH+]1 ZINC001190102658 980845463 /nfs/dbraw/zinc/84/54/63/980845463.db2.gz AMLZMZHAZFTLBM-UHFFFAOYSA-N 1 2 239.322 2.982 20 30 BFEDLO ON=Cc1ccccc1-c1ccc2[nH+]ccn2c1 ZINC001240221902 981176483 /nfs/dbraw/zinc/17/64/83/981176483.db2.gz YVROZPSDCMTJNM-UHFFFAOYSA-N 1 2 237.262 2.809 20 30 BFEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(C(C)C)no1 ZINC001348448912 981366001 /nfs/dbraw/zinc/36/60/01/981366001.db2.gz DUXPJFKSFKQLGF-NSHDSACASA-N 1 2 247.342 2.599 20 30 BFEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(C(C)C)no1 ZINC001348448912 981366004 /nfs/dbraw/zinc/36/60/04/981366004.db2.gz DUXPJFKSFKQLGF-NSHDSACASA-N 1 2 247.342 2.599 20 30 BFEDLO Cc1cc(C#N)cc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240502937 981430466 /nfs/dbraw/zinc/43/04/66/981430466.db2.gz BAQRWTFAQDAXAZ-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1ccnc(C#N)c1-c1ccn2cc[nH+]c2c1 ZINC001240518614 981448104 /nfs/dbraw/zinc/44/81/04/981448104.db2.gz RJEUOGFXJJNECN-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1nnn([NH+]=CC2CCCCCC2)c1C ZINC001349830224 981778569 /nfs/dbraw/zinc/77/85/69/981778569.db2.gz WQAVDUUWUNJHDH-UHFFFAOYSA-N 1 2 220.320 2.699 20 30 BFEDLO N#CCCc1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001241162726 982300918 /nfs/dbraw/zinc/30/09/18/982300918.db2.gz KGTZKTRTVJCNER-UHFFFAOYSA-N 1 2 223.279 2.787 20 30 BFEDLO COc1cc(C#N)ccc1-c1ccn2cc[nH+]c2c1 ZINC001241401932 982553192 /nfs/dbraw/zinc/55/31/92/982553192.db2.gz AVLAKLHMTKLUJX-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ccc(O)c(O)c1 ZINC001203879415 982572513 /nfs/dbraw/zinc/57/25/13/982572513.db2.gz QKQVSNAAXYXHJA-UHFFFAOYSA-N 1 2 248.326 2.614 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ccc(O)c(O)c1 ZINC001203879415 982572515 /nfs/dbraw/zinc/57/25/15/982572515.db2.gz QKQVSNAAXYXHJA-UHFFFAOYSA-N 1 2 248.326 2.614 20 30 BFEDLO C#Cc1cccc(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001241920149 983142319 /nfs/dbraw/zinc/14/23/19/983142319.db2.gz PFWHRBYHJOTONW-UHFFFAOYSA-N 1 2 233.274 2.565 20 30 BFEDLO Cc1ccc(C)c(Nc2ccc(N)[nH+]c2)c1C#N ZINC001201294483 983181405 /nfs/dbraw/zinc/18/14/05/983181405.db2.gz AJDCYRFLNHULBD-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO O=C1C=C2C[N@@H+](C[C@@H]3CC=CCC3)CC[C@@H]2S1 ZINC001201408333 983206842 /nfs/dbraw/zinc/20/68/42/983206842.db2.gz DAVMQVDHWBZGJK-YPMHNXCESA-N 1 2 249.379 2.617 20 30 BFEDLO O=C1C=C2C[N@H+](C[C@@H]3CC=CCC3)CC[C@@H]2S1 ZINC001201408333 983206846 /nfs/dbraw/zinc/20/68/46/983206846.db2.gz DAVMQVDHWBZGJK-YPMHNXCESA-N 1 2 249.379 2.617 20 30 BFEDLO C=C1CCC(C(=O)Nc2c(C)c[nH+]cc2C)CC1 ZINC001355035135 983399096 /nfs/dbraw/zinc/39/90/96/983399096.db2.gz KNMJYQDWORWIMC-UHFFFAOYSA-N 1 2 244.338 2.805 20 30 BFEDLO Cc1[nH+]c(-c2cccnc2C#N)cc2[nH]ccc21 ZINC001242308732 983531054 /nfs/dbraw/zinc/53/10/54/983531054.db2.gz JHCPQCMQIBGVSI-UHFFFAOYSA-N 1 2 234.262 2.805 20 30 BFEDLO C=C[C@](C)(O)CNc1ccc([NH+]2CCCC2)cc1 ZINC001252539487 983804322 /nfs/dbraw/zinc/80/43/22/983804322.db2.gz VHIGZTHGIDRMSU-HNNXBMFYSA-N 1 2 246.354 2.636 20 30 BFEDLO Cc1cc(C#N)cc(-c2ccc(N)[nH+]c2)c1 ZINC001242478007 983807303 /nfs/dbraw/zinc/80/73/03/983807303.db2.gz BUOYNNSHRNRZRU-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO N#Cc1cc(F)ccc1-c1[nH+]ccc2c1CCN2 ZINC001242581118 983893338 /nfs/dbraw/zinc/89/33/38/983893338.db2.gz JURRABYGZPTEKV-UHFFFAOYSA-N 1 2 239.253 2.727 20 30 BFEDLO Cc1ccc(-c2ccc[nH+]c2N)c(C#N)c1 ZINC001242592194 983913180 /nfs/dbraw/zinc/91/31/80/983913180.db2.gz STSCSKXKKBUUFX-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO CNc1cc(C2=CC(=O)C[C@@H](C)C2)cc[nH+]1 ZINC001242742359 984094288 /nfs/dbraw/zinc/09/42/88/984094288.db2.gz OLNOHHWGODQPFD-VIFPVBQESA-N 1 2 216.284 2.506 20 30 BFEDLO Cn1c[nH+]cc1-c1ccnc2ccc(C#N)cc21 ZINC001243069692 984495361 /nfs/dbraw/zinc/49/53/61/984495361.db2.gz WGJUXQCZHVFKBC-UHFFFAOYSA-N 1 2 234.262 2.507 20 30 BFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932156440 985013590 /nfs/dbraw/zinc/01/35/90/985013590.db2.gz DVBUBKQHBNFNPE-TZMCWYRMSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000932156440 985013604 /nfs/dbraw/zinc/01/36/04/985013604.db2.gz DVBUBKQHBNFNPE-TZMCWYRMSA-N 1 2 239.322 2.855 20 30 BFEDLO Cc1cc(-c2ccc[nH+]c2N)cc(C)c1C#N ZINC001243474037 985022055 /nfs/dbraw/zinc/02/20/55/985022055.db2.gz IFOLINLDTGLZLK-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO N#CCCc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243474320 985022460 /nfs/dbraw/zinc/02/24/60/985022460.db2.gz KNEKNLPDSYQVOI-UHFFFAOYSA-N 1 2 223.279 2.787 20 30 BFEDLO Cc1cc(-c2ccc[nH+]c2N)ccc1CC#N ZINC001243477034 985034130 /nfs/dbraw/zinc/03/41/30/985034130.db2.gz XZAPQFDPBQPBLR-UHFFFAOYSA-N 1 2 223.279 2.705 20 30 BFEDLO N#Cc1cc2cc(-c3ccc[nH+]c3N)ccc2[nH]1 ZINC001243476456 985037330 /nfs/dbraw/zinc/03/73/30/985037330.db2.gz SGNMRENEYDJAGG-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO C=C(C)CCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456341060 985127645 /nfs/dbraw/zinc/12/76/45/985127645.db2.gz KKDQXJOPVWSQBM-UHFFFAOYSA-N 1 2 235.331 2.506 20 30 BFEDLO C=C(C)CCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456341060 985127664 /nfs/dbraw/zinc/12/76/64/985127664.db2.gz KKDQXJOPVWSQBM-UHFFFAOYSA-N 1 2 235.331 2.506 20 30 BFEDLO Cc1cc(-c2ccc(C#N)cc2N)c2[nH+]ccn2c1 ZINC001244089100 985803944 /nfs/dbraw/zinc/80/39/44/985803944.db2.gz RJAICVBZRVCIDL-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@H]1CCOc2cc(F)ccc21 ZINC001255158230 986833020 /nfs/dbraw/zinc/83/30/20/986833020.db2.gz FVPKKKLSYNZTOB-YPMHNXCESA-N 1 2 248.301 2.931 20 30 BFEDLO C[C@@H](CC(F)(F)F)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001255661753 987048422 /nfs/dbraw/zinc/04/84/22/987048422.db2.gz CUHXRMIOQGDDPZ-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@@H](CC(F)(F)F)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001255661753 987048435 /nfs/dbraw/zinc/04/84/35/987048435.db2.gz CUHXRMIOQGDDPZ-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO C#CC[N@H+](Cc1c(F)cccc1F)C(C)C ZINC001473817178 987566110 /nfs/dbraw/zinc/56/61/10/987566110.db2.gz QPHUMHYTEQKGEE-UHFFFAOYSA-N 1 2 223.266 2.808 20 30 BFEDLO C#CC[N@@H+](Cc1c(F)cccc1F)C(C)C ZINC001473817178 987566122 /nfs/dbraw/zinc/56/61/22/987566122.db2.gz QPHUMHYTEQKGEE-UHFFFAOYSA-N 1 2 223.266 2.808 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC001473868641 987596304 /nfs/dbraw/zinc/59/63/04/987596304.db2.gz UHKURJZYAZXADP-VIFPVBQESA-N 1 2 218.127 2.793 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC001473868641 987596313 /nfs/dbraw/zinc/59/63/13/987596313.db2.gz UHKURJZYAZXADP-VIFPVBQESA-N 1 2 218.127 2.793 20 30 BFEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccco1 ZINC001117351489 987827430 /nfs/dbraw/zinc/82/74/30/987827430.db2.gz SFLIVGPTRBHCDA-BQYQJAHWSA-N 1 2 242.278 2.637 20 30 BFEDLO C=CCCCCCN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001322011849 988079789 /nfs/dbraw/zinc/07/97/89/988079789.db2.gz HGKJEQIPXZKJPE-ZDUSSCGKSA-N 1 2 249.358 2.649 20 30 BFEDLO C=CCCCCCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001322843112 988390896 /nfs/dbraw/zinc/39/08/96/988390896.db2.gz SMGQMKWENVDAEH-CYBMUJFWSA-N 1 2 249.358 2.697 20 30 BFEDLO Cc1nnn([NH+]=C[C@H](C)C2CCCCC2)c1C ZINC001119298262 988896464 /nfs/dbraw/zinc/89/64/64/988896464.db2.gz BSRHDBQAQKEYEW-JTQLQIEISA-N 1 2 234.347 2.945 20 30 BFEDLO CC[C@H]1CCC[C@H](C=[NH+]n2nnc(C)c2C)C1 ZINC001119298703 988896682 /nfs/dbraw/zinc/89/66/82/988896682.db2.gz JXVLDIYNFIMNOU-STQMWFEESA-N 1 2 234.347 2.945 20 30 BFEDLO Cc1nnn([NH+]=C[C@@H]2CC(C)=C[C@@H](C)C2)c1C ZINC001119299014 988901293 /nfs/dbraw/zinc/90/12/93/988901293.db2.gz NJORCPPKOYNCQS-RNCFNFMXSA-N 1 2 232.331 2.721 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc(F)c2cc[nH]c21 ZINC001248814464 989172892 /nfs/dbraw/zinc/17/28/92/989172892.db2.gz OOWZGDWHJNOXNM-UHFFFAOYSA-N 1 2 231.274 2.652 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc(F)c2cc[nH]c21 ZINC001248814464 989172903 /nfs/dbraw/zinc/17/29/03/989172903.db2.gz OOWZGDWHJNOXNM-UHFFFAOYSA-N 1 2 231.274 2.652 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ns1 ZINC001249581688 989309117 /nfs/dbraw/zinc/30/91/17/989309117.db2.gz NEAOQBRKPKJSIN-LLVKDONJSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ns1 ZINC001249581688 989309132 /nfs/dbraw/zinc/30/91/32/989309132.db2.gz NEAOQBRKPKJSIN-LLVKDONJSA-N 1 2 235.356 2.577 20 30 BFEDLO C#CCCCCCC(=O)OCc1c[nH+]cn1CC ZINC001123376361 990570212 /nfs/dbraw/zinc/57/02/12/990570212.db2.gz REZQDCNJGZZQQX-UHFFFAOYSA-N 1 2 248.326 2.530 20 30 BFEDLO C=CC(C)(C)CC(=O)OCc1c[nH+]cn1CC ZINC001123473189 990591843 /nfs/dbraw/zinc/59/18/43/990591843.db2.gz PFSXBLCJPVJKGN-UHFFFAOYSA-N 1 2 236.315 2.549 20 30 BFEDLO C=C(CC)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001540720983 990643569 /nfs/dbraw/zinc/64/35/69/990643569.db2.gz NWYDPHPPNXUDGP-UHFFFAOYSA-N 1 2 241.294 2.777 20 30 BFEDLO C[C@H]1C[C@H]([NH2+]C2(C#N)CCC2)C[C@@H](C)C1 ZINC001258152725 991035988 /nfs/dbraw/zinc/03/59/88/991035988.db2.gz VCGFCMAEVKSFJP-GDNZZTSVSA-N 1 2 206.333 2.847 20 30 BFEDLO CC1(C)CCC[C@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001258280445 991210912 /nfs/dbraw/zinc/21/09/12/991210912.db2.gz VAHVWDDIHJONFD-LBPRGKRZSA-N 1 2 236.359 2.618 20 30 BFEDLO N#C[C@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC001139895247 991414776 /nfs/dbraw/zinc/41/47/76/991414776.db2.gz RMRNLPQPDGQUKQ-GFCCVEGCSA-N 1 2 237.306 2.580 20 30 BFEDLO N#C[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC001139895247 991414778 /nfs/dbraw/zinc/41/47/78/991414778.db2.gz RMRNLPQPDGQUKQ-GFCCVEGCSA-N 1 2 237.306 2.580 20 30 BFEDLO C=C(CC)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001566329278 991840667 /nfs/dbraw/zinc/84/06/67/991840667.db2.gz SLVJSDJNGVCVKU-UHFFFAOYSA-N 1 2 229.283 2.776 20 30 BFEDLO CC(C)CC(CC(C)C)[N@@H+]1CCO[C@H](C#N)C1 ZINC001258836493 991868202 /nfs/dbraw/zinc/86/82/02/991868202.db2.gz ZTGWPRQJBSXPMB-CQSZACIVSA-N 1 2 238.375 2.672 20 30 BFEDLO CC(C)CC(CC(C)C)[N@H+]1CCO[C@H](C#N)C1 ZINC001258836493 991868207 /nfs/dbraw/zinc/86/82/07/991868207.db2.gz ZTGWPRQJBSXPMB-CQSZACIVSA-N 1 2 238.375 2.672 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000185322849 136219803 /nfs/dbraw/zinc/21/98/03/136219803.db2.gz BBFSKLKRNNKFDN-LLVKDONJSA-N 1 2 247.342 2.688 20 30 BFEDLO CC#CC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189793955 192030145 /nfs/dbraw/zinc/03/01/45/192030145.db2.gz GIBLJOIUCSEGIO-GFCCVEGCSA-N 1 2 220.341 2.612 20 30 BFEDLO CC#CC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189793955 192030146 /nfs/dbraw/zinc/03/01/46/192030146.db2.gz GIBLJOIUCSEGIO-GFCCVEGCSA-N 1 2 220.341 2.612 20 30 BFEDLO Cc1cc([C@H](C)[NH2+]Cc2cccc(C#N)c2)no1 ZINC000281835511 178252435 /nfs/dbraw/zinc/25/24/35/178252435.db2.gz AHAOXRXFKJZATI-NSHDSACASA-N 1 2 241.294 2.706 20 30 BFEDLO CC[C@](C)([NH2+]CC1(C#N)CC1)c1nc(C)cs1 ZINC000343302905 136228313 /nfs/dbraw/zinc/22/83/13/136228313.db2.gz NCRRIHKTZHLPCG-LBPRGKRZSA-N 1 2 249.383 2.970 20 30 BFEDLO N#CCC[N@H+](CCC[C@@H]1CCO1)Cc1ccco1 ZINC000602431355 349536262 /nfs/dbraw/zinc/53/62/62/349536262.db2.gz BKYJRVOXHWMBPU-CYBMUJFWSA-N 1 2 248.326 2.564 20 30 BFEDLO N#CCC[N@@H+](CCC[C@@H]1CCO1)Cc1ccco1 ZINC000602431355 349536265 /nfs/dbraw/zinc/53/62/65/349536265.db2.gz BKYJRVOXHWMBPU-CYBMUJFWSA-N 1 2 248.326 2.564 20 30 BFEDLO C[C@@H](CCC#N)C[N@H+](CCC#N)Cc1ccco1 ZINC000602432304 349536730 /nfs/dbraw/zinc/53/67/30/349536730.db2.gz GVFQGFNAUDNWRB-ZDUSSCGKSA-N 1 2 245.326 2.935 20 30 BFEDLO C[C@@H](CCC#N)C[N@@H+](CCC#N)Cc1ccco1 ZINC000602432304 349536734 /nfs/dbraw/zinc/53/67/34/349536734.db2.gz GVFQGFNAUDNWRB-ZDUSSCGKSA-N 1 2 245.326 2.935 20 30 BFEDLO CC[N@H+](CCC#N)Cc1csc(C)c1 ZINC000294575748 136230148 /nfs/dbraw/zinc/23/01/48/136230148.db2.gz PKWHPRXXUXZDRH-UHFFFAOYSA-N 1 2 208.330 2.792 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1csc(C)c1 ZINC000294575748 136230149 /nfs/dbraw/zinc/23/01/49/136230149.db2.gz PKWHPRXXUXZDRH-UHFFFAOYSA-N 1 2 208.330 2.792 20 30 BFEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)c(F)c1 ZINC000602446441 349546532 /nfs/dbraw/zinc/54/65/32/349546532.db2.gz DAISPBYOQHDQOD-NSHDSACASA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)c(F)c1 ZINC000602446441 349546535 /nfs/dbraw/zinc/54/65/35/349546535.db2.gz DAISPBYOQHDQOD-NSHDSACASA-N 1 2 220.291 2.726 20 30 BFEDLO COc1cncc(C[N@H+](CCC#N)C(C)C)c1C ZINC000602446929 349547257 /nfs/dbraw/zinc/54/72/57/349547257.db2.gz GQAFAGCMSHOKKV-UHFFFAOYSA-N 1 2 247.342 2.523 20 30 BFEDLO COc1cncc(C[N@@H+](CCC#N)C(C)C)c1C ZINC000602446929 349547260 /nfs/dbraw/zinc/54/72/60/349547260.db2.gz GQAFAGCMSHOKKV-UHFFFAOYSA-N 1 2 247.342 2.523 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2ccccc2n1C ZINC000602447200 349547602 /nfs/dbraw/zinc/54/76/02/349547602.db2.gz LPGIGFVWORPCLM-GFCCVEGCSA-N 1 2 241.338 2.770 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2ccccc2n1C ZINC000602447200 349547605 /nfs/dbraw/zinc/54/76/05/349547605.db2.gz LPGIGFVWORPCLM-GFCCVEGCSA-N 1 2 241.338 2.770 20 30 BFEDLO C=C[C@@H]1CCCCN1c1cc(CC)[nH+]c(C)n1 ZINC000362852865 538953559 /nfs/dbraw/zinc/95/35/59/538953559.db2.gz JNKDMPVZDWUSRF-CYBMUJFWSA-N 1 2 231.343 2.892 20 30 BFEDLO Cc1ccc(NC[C@H](C)CCC#N)c[nH+]1 ZINC000602578058 349606721 /nfs/dbraw/zinc/60/67/21/349606721.db2.gz VBKYRDRSBBSCLI-SNVBAGLBSA-N 1 2 203.289 2.742 20 30 BFEDLO N#CCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000335070430 398275978 /nfs/dbraw/zinc/27/59/78/398275978.db2.gz UJIBNTIVPGWQLW-UHFFFAOYSA-N 1 2 212.296 2.689 20 30 BFEDLO N#CCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000335070430 398275979 /nfs/dbraw/zinc/27/59/79/398275979.db2.gz UJIBNTIVPGWQLW-UHFFFAOYSA-N 1 2 212.296 2.689 20 30 BFEDLO CC(C)Cc1ncc(C[NH2+]C[C@H](C)C#N)s1 ZINC000183829903 346858837 /nfs/dbraw/zinc/85/88/37/346858837.db2.gz LNEYHNDOWUAURI-SNVBAGLBSA-N 1 2 237.372 2.591 20 30 BFEDLO N#CCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000600155621 342692453 /nfs/dbraw/zinc/69/24/53/342692453.db2.gz IENOYODKIJYIGY-UHFFFAOYSA-N 1 2 234.246 2.770 20 30 BFEDLO C[N@H+](Cc1ccccc1F)[C@H]1CCC[C@@H]1C#N ZINC000042436788 342775653 /nfs/dbraw/zinc/77/56/53/342775653.db2.gz YDCOXOIUJLXEBB-RISCZKNCSA-N 1 2 232.302 2.950 20 30 BFEDLO C[N@@H+](Cc1ccccc1F)[C@H]1CCC[C@@H]1C#N ZINC000042436788 342775655 /nfs/dbraw/zinc/77/56/55/342775655.db2.gz YDCOXOIUJLXEBB-RISCZKNCSA-N 1 2 232.302 2.950 20 30 BFEDLO CC(C)([NH2+]Cc1cccc(C#N)c1)C(F)F ZINC000309674441 342783868 /nfs/dbraw/zinc/78/38/68/342783868.db2.gz LEJJNCQOTDGLMZ-UHFFFAOYSA-N 1 2 224.254 2.692 20 30 BFEDLO CSc1ccc(NC[C@@H](C)CCC#N)[nH+]c1 ZINC000602567962 349619447 /nfs/dbraw/zinc/61/94/47/349619447.db2.gz HDVQDEKBDCYIKS-JTQLQIEISA-N 1 2 235.356 2.577 20 30 BFEDLO C[N@H+](Cc1ccoc1)Cc1cc(C#N)ccc1F ZINC000042371572 361986687 /nfs/dbraw/zinc/98/66/87/361986687.db2.gz ZQKIXMAUGJTYDC-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C[N@@H+](Cc1ccoc1)Cc1cc(C#N)ccc1F ZINC000042371572 361986693 /nfs/dbraw/zinc/98/66/93/361986693.db2.gz ZQKIXMAUGJTYDC-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO N#CCC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000130467343 398340600 /nfs/dbraw/zinc/34/06/00/398340600.db2.gz QFGHSUPILBZCGE-AWEZNQCLSA-N 1 2 240.310 2.544 20 30 BFEDLO CC1(C)CO[C@@H](C[N@H+](CC#N)C2CCCC2)C1 ZINC000602783346 349748099 /nfs/dbraw/zinc/74/80/99/349748099.db2.gz YQVXMALNAUBKEG-CYBMUJFWSA-N 1 2 236.359 2.570 20 30 BFEDLO CC1(C)CO[C@@H](C[N@@H+](CC#N)C2CCCC2)C1 ZINC000602783346 349748101 /nfs/dbraw/zinc/74/81/01/349748101.db2.gz YQVXMALNAUBKEG-CYBMUJFWSA-N 1 2 236.359 2.570 20 30 BFEDLO CCc1cnc(C[N@H+](C)CC2(CC#N)CC2)s1 ZINC000602784108 349748766 /nfs/dbraw/zinc/74/87/66/349748766.db2.gz PWNQHDXMRATWPG-UHFFFAOYSA-N 1 2 249.383 2.831 20 30 BFEDLO CCc1cnc(C[N@@H+](C)CC2(CC#N)CC2)s1 ZINC000602784108 349748769 /nfs/dbraw/zinc/74/87/69/349748769.db2.gz PWNQHDXMRATWPG-UHFFFAOYSA-N 1 2 249.383 2.831 20 30 BFEDLO C=C(C)COCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301680924 136265227 /nfs/dbraw/zinc/26/52/27/136265227.db2.gz SUMJTTZLFKXRHP-UHFFFAOYSA-N 1 2 249.358 2.779 20 30 BFEDLO CCc1cccc(F)c1C[N@H+](C)C[C@H](C)C#N ZINC000353456814 136265386 /nfs/dbraw/zinc/26/53/86/136265386.db2.gz DXGPBYCUGGUSAP-LLVKDONJSA-N 1 2 234.318 2.980 20 30 BFEDLO CCc1cccc(F)c1C[N@@H+](C)C[C@H](C)C#N ZINC000353456814 136265387 /nfs/dbraw/zinc/26/53/87/136265387.db2.gz DXGPBYCUGGUSAP-LLVKDONJSA-N 1 2 234.318 2.980 20 30 BFEDLO CCCCCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000138978185 343119797 /nfs/dbraw/zinc/11/97/97/343119797.db2.gz UGYUVJSFIFVNEV-CMDGGOBGSA-N 1 2 249.358 2.900 20 30 BFEDLO C#CC[N@H+](Cc1ccn(C2CCCC2)n1)C1CC1 ZINC000274117972 187238125 /nfs/dbraw/zinc/23/81/25/187238125.db2.gz GLTFIFDHWCKZEN-UHFFFAOYSA-N 1 2 243.354 2.596 20 30 BFEDLO C#CC[N@@H+](Cc1ccn(C2CCCC2)n1)C1CC1 ZINC000274117972 187238127 /nfs/dbraw/zinc/23/81/27/187238127.db2.gz GLTFIFDHWCKZEN-UHFFFAOYSA-N 1 2 243.354 2.596 20 30 BFEDLO C#CC[N@@H+](CC)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000267354218 187235566 /nfs/dbraw/zinc/23/55/66/187235566.db2.gz VNGIMKYAJQZQMQ-LLVKDONJSA-N 1 2 234.343 2.988 20 30 BFEDLO C#CC[N@H+](CC)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000267354218 187235567 /nfs/dbraw/zinc/23/55/67/187235567.db2.gz VNGIMKYAJQZQMQ-LLVKDONJSA-N 1 2 234.343 2.988 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000489495275 259357315 /nfs/dbraw/zinc/35/73/15/259357315.db2.gz WPAKAMIZMRVXFH-LLVKDONJSA-N 1 2 249.358 2.908 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000489495275 259357317 /nfs/dbraw/zinc/35/73/17/259357317.db2.gz WPAKAMIZMRVXFH-LLVKDONJSA-N 1 2 249.358 2.908 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000292891428 136289229 /nfs/dbraw/zinc/28/92/29/136289229.db2.gz YYDWXZYVVLMECG-UHFFFAOYSA-N 1 2 242.322 2.523 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000292891428 136289230 /nfs/dbraw/zinc/28/92/30/136289230.db2.gz YYDWXZYVVLMECG-UHFFFAOYSA-N 1 2 242.322 2.523 20 30 BFEDLO C=C(C)CN(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119640682 136291965 /nfs/dbraw/zinc/29/19/65/136291965.db2.gz WOHOYGFXRWESPM-UHFFFAOYSA-N 1 2 233.315 2.820 20 30 BFEDLO C#CCCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000120138289 136292356 /nfs/dbraw/zinc/29/23/56/136292356.db2.gz NTRQBSHBTVFLSV-UHFFFAOYSA-N 1 2 216.284 2.522 20 30 BFEDLO N#CCC[N@@H+](CCCCCF)Cc1ccccn1 ZINC000284306419 136287139 /nfs/dbraw/zinc/28/71/39/136287139.db2.gz ZNIIOYYXFAQMRI-UHFFFAOYSA-N 1 2 249.333 2.937 20 30 BFEDLO N#CCC[N@H+](CCCCCF)Cc1ccccn1 ZINC000284306419 136287140 /nfs/dbraw/zinc/28/71/40/136287140.db2.gz ZNIIOYYXFAQMRI-UHFFFAOYSA-N 1 2 249.333 2.937 20 30 BFEDLO COc1cccc(C[NH2+][C@H](C)CC#N)c1Cl ZINC000602872019 349804321 /nfs/dbraw/zinc/80/43/21/349804321.db2.gz ZVZYLTWBPPSBTL-SECBINFHSA-N 1 2 238.718 2.740 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000489495279 259357542 /nfs/dbraw/zinc/35/75/42/259357542.db2.gz WPAKAMIZMRVXFH-NSHDSACASA-N 1 2 249.358 2.908 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000489495279 259357544 /nfs/dbraw/zinc/35/75/44/259357544.db2.gz WPAKAMIZMRVXFH-NSHDSACASA-N 1 2 249.358 2.908 20 30 BFEDLO Cc1[nH]ncc1C[N@H+](C)CCCCC(C)(C)C#N ZINC000602941225 349825266 /nfs/dbraw/zinc/82/52/66/349825266.db2.gz HOOYAKWPMMLKTD-UHFFFAOYSA-N 1 2 248.374 2.870 20 30 BFEDLO Cc1[nH]ncc1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000602941225 349825269 /nfs/dbraw/zinc/82/52/69/349825269.db2.gz HOOYAKWPMMLKTD-UHFFFAOYSA-N 1 2 248.374 2.870 20 30 BFEDLO Cc1nsc(C)c1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981422 349830750 /nfs/dbraw/zinc/83/07/50/349830750.db2.gz CWAIDBKFWALUHM-AAEUAGOBSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nsc(C)c1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981422 349830754 /nfs/dbraw/zinc/83/07/54/349830754.db2.gz CWAIDBKFWALUHM-AAEUAGOBSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1cnccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981435 349830962 /nfs/dbraw/zinc/83/09/62/349830962.db2.gz CZKPPLYPHJDNDM-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cnccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981435 349830967 /nfs/dbraw/zinc/83/09/67/349830967.db2.gz CZKPPLYPHJDNDM-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)s1 ZINC000602978139 349842458 /nfs/dbraw/zinc/84/24/58/349842458.db2.gz MEBVFCLDGAAPCO-VXGBXAGGSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nc(C)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)s1 ZINC000602978139 349842460 /nfs/dbraw/zinc/84/24/60/349842460.db2.gz MEBVFCLDGAAPCO-VXGBXAGGSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cn1 ZINC000602982717 349835051 /nfs/dbraw/zinc/83/50/51/349835051.db2.gz XIGJAKAUEMSMJI-UONOGXRCSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cn1 ZINC000602982717 349835054 /nfs/dbraw/zinc/83/50/54/349835054.db2.gz XIGJAKAUEMSMJI-UONOGXRCSA-N 1 2 229.327 2.514 20 30 BFEDLO C[N@H+](Cc1cc(C2CC2)no1)[C@@H]1CCC[C@H]1C#N ZINC000602982668 349835106 /nfs/dbraw/zinc/83/51/06/349835106.db2.gz WLMOROJDNGGKIV-SMDDNHRTSA-N 1 2 245.326 2.676 20 30 BFEDLO C[N@@H+](Cc1cc(C2CC2)no1)[C@@H]1CCC[C@H]1C#N ZINC000602982668 349835107 /nfs/dbraw/zinc/83/51/07/349835107.db2.gz WLMOROJDNGGKIV-SMDDNHRTSA-N 1 2 245.326 2.676 20 30 BFEDLO C[N@H+](Cc1cncc(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000602982707 349835132 /nfs/dbraw/zinc/83/51/32/349835132.db2.gz XAJKPJZAKFCMPW-WCQYABFASA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1cncc(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000602982707 349835135 /nfs/dbraw/zinc/83/51/35/349835135.db2.gz XAJKPJZAKFCMPW-WCQYABFASA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@H+](CC#Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602979269 349843821 /nfs/dbraw/zinc/84/38/21/349843821.db2.gz BOJROFHCFXJPGF-CVEARBPZSA-N 1 2 238.334 2.662 20 30 BFEDLO C[N@@H+](CC#Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602979269 349843825 /nfs/dbraw/zinc/84/38/25/349843825.db2.gz BOJROFHCFXJPGF-CVEARBPZSA-N 1 2 238.334 2.662 20 30 BFEDLO C[N@H+](CC#Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602979270 349844209 /nfs/dbraw/zinc/84/42/09/349844209.db2.gz BOJROFHCFXJPGF-HOTGVXAUSA-N 1 2 238.334 2.662 20 30 BFEDLO C[N@@H+](CC#Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602979270 349844212 /nfs/dbraw/zinc/84/42/12/349844212.db2.gz BOJROFHCFXJPGF-HOTGVXAUSA-N 1 2 238.334 2.662 20 30 BFEDLO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CC#N)c1 ZINC000602993310 349848369 /nfs/dbraw/zinc/84/83/69/349848369.db2.gz XHSHXARQNYBIHA-HNNXBMFYSA-N 1 2 228.339 2.916 20 30 BFEDLO Cc1cccc(C[C@]2(C)CCC[N@H+]2CC#N)c1 ZINC000602993310 349848370 /nfs/dbraw/zinc/84/83/70/349848370.db2.gz XHSHXARQNYBIHA-HNNXBMFYSA-N 1 2 228.339 2.916 20 30 BFEDLO CC#CCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574977 192364543 /nfs/dbraw/zinc/36/45/43/192364543.db2.gz IFPLDRGIBFOQDP-UHFFFAOYSA-N 1 2 244.338 2.508 20 30 BFEDLO C=CC(C)(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574397 192364562 /nfs/dbraw/zinc/36/45/62/192364562.db2.gz FVIFLMVROQXXPD-UHFFFAOYSA-N 1 2 232.327 2.527 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccccc2o1 ZINC000584121829 343762808 /nfs/dbraw/zinc/76/28/08/343762808.db2.gz ZEACWNYXKVYROT-SNVBAGLBSA-N 1 2 229.283 2.610 20 30 BFEDLO COc1ccc(NCc2cccc(C#N)c2)[nH+]c1 ZINC000225893833 347009113 /nfs/dbraw/zinc/00/91/13/347009113.db2.gz DHGJQLLVJNAKKB-UHFFFAOYSA-N 1 2 239.278 2.574 20 30 BFEDLO N#Cc1cc(F)ccc1COc1cc[nH+]cc1 ZINC000334710006 343902134 /nfs/dbraw/zinc/90/21/34/343902134.db2.gz ICWVDZBVTKPQLX-UHFFFAOYSA-N 1 2 228.226 2.671 20 30 BFEDLO Cc1cc(N2CCC[C@@](C)(F)C2)c(C#N)c[nH+]1 ZINC000335094795 343927433 /nfs/dbraw/zinc/92/74/33/343927433.db2.gz KYSNHUWWTKCYPZ-CYBMUJFWSA-N 1 2 233.290 2.590 20 30 BFEDLO C=C[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000129264672 344211720 /nfs/dbraw/zinc/21/17/20/344211720.db2.gz HSWHVGSDCLFVNE-SECBINFHSA-N 1 2 205.305 2.761 20 30 BFEDLO N#Cc1ccc(Br)cc1-n1cc[nH+]c1 ZINC000165997061 344270532 /nfs/dbraw/zinc/27/05/32/344270532.db2.gz PLONDORYGKUEFF-UHFFFAOYSA-N 1 2 248.083 2.506 20 30 BFEDLO Cc1ncc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)s1 ZINC000400097418 344302863 /nfs/dbraw/zinc/30/28/63/344302863.db2.gz XFPRENHKZBSGSO-CMPLNLGQSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1ncc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)s1 ZINC000400097418 344302865 /nfs/dbraw/zinc/30/28/65/344302865.db2.gz XFPRENHKZBSGSO-CMPLNLGQSA-N 1 2 235.356 2.576 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Cl)o1 ZINC000093090379 344308440 /nfs/dbraw/zinc/30/84/40/344308440.db2.gz PHCHLZADHAWPNF-QMMMGPOBSA-N 1 2 212.680 2.667 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Cl)o1 ZINC000093090379 344308441 /nfs/dbraw/zinc/30/84/41/344308441.db2.gz PHCHLZADHAWPNF-QMMMGPOBSA-N 1 2 212.680 2.667 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000042207061 344445866 /nfs/dbraw/zinc/44/58/66/344445866.db2.gz JTPPFRRNZGSWNY-SNVBAGLBSA-N 1 2 222.719 2.931 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042207061 344445868 /nfs/dbraw/zinc/44/58/68/344445868.db2.gz JTPPFRRNZGSWNY-SNVBAGLBSA-N 1 2 222.719 2.931 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000042207064 344445946 /nfs/dbraw/zinc/44/59/46/344445946.db2.gz JTPPFRRNZGSWNY-JTQLQIEISA-N 1 2 222.719 2.931 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042207064 344445948 /nfs/dbraw/zinc/44/59/48/344445948.db2.gz JTPPFRRNZGSWNY-JTQLQIEISA-N 1 2 222.719 2.931 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1ccsc1)C1CC1 ZINC000042468163 344455966 /nfs/dbraw/zinc/45/59/66/344455966.db2.gz KRSWJHWTUPZANJ-JTQLQIEISA-N 1 2 220.341 2.872 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccsc1)C1CC1 ZINC000042468163 344455970 /nfs/dbraw/zinc/45/59/70/344455970.db2.gz KRSWJHWTUPZANJ-JTQLQIEISA-N 1 2 220.341 2.872 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1cccs1)C1CC1 ZINC000042515801 344456396 /nfs/dbraw/zinc/45/63/96/344456396.db2.gz DNSVURYJYGCONS-JTQLQIEISA-N 1 2 220.341 2.872 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1cccs1)C1CC1 ZINC000042515801 344456397 /nfs/dbraw/zinc/45/63/97/344456397.db2.gz DNSVURYJYGCONS-JTQLQIEISA-N 1 2 220.341 2.872 20 30 BFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000263933914 344530643 /nfs/dbraw/zinc/53/06/43/344530643.db2.gz ZIYGBUFFIIPNGW-IUCAKERBSA-N 1 2 224.254 2.918 20 30 BFEDLO C=CC[N@@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000152435609 344564071 /nfs/dbraw/zinc/56/40/71/344564071.db2.gz BGRYTDMOQOIJAB-ZDUSSCGKSA-N 1 2 247.338 2.799 20 30 BFEDLO C=CC[N@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000152435609 344564072 /nfs/dbraw/zinc/56/40/72/344564072.db2.gz BGRYTDMOQOIJAB-ZDUSSCGKSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C[C@H]1CCCCN1c1cc[nH+]cc1F ZINC000641541392 362489103 /nfs/dbraw/zinc/48/91/03/362489103.db2.gz BVSKHDFLLBINRA-JTQLQIEISA-N 1 2 206.264 2.766 20 30 BFEDLO Cc1cc(N2CCCCCC2)c(C#N)c[nH+]1 ZINC000075563177 344779520 /nfs/dbraw/zinc/77/95/20/344779520.db2.gz RGXIHDUMBGNPIV-UHFFFAOYSA-N 1 2 215.300 2.642 20 30 BFEDLO N#CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119065256 344838072 /nfs/dbraw/zinc/83/80/72/344838072.db2.gz HRLZEGGHNYQJKI-HUUCEWRRSA-N 1 2 228.339 2.901 20 30 BFEDLO Cc1c[nH+]c(C)nc1N[C@H]1CC[C@@H](CC#N)C1 ZINC000583451064 344998648 /nfs/dbraw/zinc/99/86/48/344998648.db2.gz JXMJARPLCAVIHP-RYUDHWBXSA-N 1 2 230.315 2.588 20 30 BFEDLO Cc1cc[nH+]c(NCCCC#N)c1Cl ZINC000306216035 345123741 /nfs/dbraw/zinc/12/37/41/345123741.db2.gz OXEHJEROVCYUEN-UHFFFAOYSA-N 1 2 209.680 2.759 20 30 BFEDLO Cc1cc(N2CC(C3CCCC3)C2)c(C#N)c[nH+]1 ZINC000425257642 192085873 /nfs/dbraw/zinc/08/58/73/192085873.db2.gz IPYFTBZVHCRECV-UHFFFAOYSA-N 1 2 241.338 2.888 20 30 BFEDLO Cc1cc(N2CCC[C@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000425267750 192086940 /nfs/dbraw/zinc/08/69/40/192086940.db2.gz MIVXSADFUIFBPY-ZDUSSCGKSA-N 1 2 241.338 2.888 20 30 BFEDLO C[C@H]([NH2+]CCCC#N)c1ccc(F)c(F)c1O ZINC000276974947 133551617 /nfs/dbraw/zinc/55/16/17/133551617.db2.gz UUMGMBHOBJFCHS-QMMMGPOBSA-N 1 2 240.253 2.625 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1ccc(F)cc1Cl ZINC000183822294 345939296 /nfs/dbraw/zinc/93/92/96/345939296.db2.gz JIMYURAPZACNFL-MRVPVSSYSA-N 1 2 226.682 2.728 20 30 BFEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccno1 ZINC000266641363 535019933 /nfs/dbraw/zinc/01/99/33/535019933.db2.gz BBMAJGOWRZJINK-UHFFFAOYSA-N 1 2 235.331 2.826 20 30 BFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccno1 ZINC000266641363 535019940 /nfs/dbraw/zinc/01/99/40/535019940.db2.gz BBMAJGOWRZJINK-UHFFFAOYSA-N 1 2 235.331 2.826 20 30 BFEDLO C=C(C)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635988443 346140159 /nfs/dbraw/zinc/14/01/59/346140159.db2.gz QWWFTSPTWYYZJN-CYBMUJFWSA-N 1 2 249.358 2.553 20 30 BFEDLO C=C(CC)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000636006996 346148911 /nfs/dbraw/zinc/14/89/11/346148911.db2.gz QHLQQMOQRKQZTN-ZDUSSCGKSA-N 1 2 249.358 2.553 20 30 BFEDLO CCc1nc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cs1 ZINC000574929698 346417853 /nfs/dbraw/zinc/41/78/53/346417853.db2.gz OOKYTNGCWWFADE-PWSUYJOCSA-N 1 2 249.383 2.830 20 30 BFEDLO CCc1nc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cs1 ZINC000574929698 346417855 /nfs/dbraw/zinc/41/78/55/346417855.db2.gz OOKYTNGCWWFADE-PWSUYJOCSA-N 1 2 249.383 2.830 20 30 BFEDLO N#Cc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000186426270 346507402 /nfs/dbraw/zinc/50/74/02/346507402.db2.gz LRQRPQPLKXWICH-UHFFFAOYSA-N 1 2 227.242 2.704 20 30 BFEDLO CO[C@@H](CC(C)C)C[N@H+](CC#N)C1CCCC1 ZINC000419205474 192104199 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/nfs/dbraw/zinc/24/19/11/348241911.db2.gz JJURWHUDBPZLFR-SNVBAGLBSA-N 1 2 241.294 2.706 20 30 BFEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000595412679 348242123 /nfs/dbraw/zinc/24/21/23/348242123.db2.gz RCXRCTNTMTZTPG-HUUCEWRRSA-N 1 2 226.323 2.983 20 30 BFEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000595412679 348242125 /nfs/dbraw/zinc/24/21/25/348242125.db2.gz RCXRCTNTMTZTPG-HUUCEWRRSA-N 1 2 226.323 2.983 20 30 BFEDLO CO[C@@H]1CCC[N@@H+]([C@H](C#N)c2ccccc2)CC1 ZINC000595426098 348246799 /nfs/dbraw/zinc/24/67/99/348246799.db2.gz PQHRVAXZOWAQJY-HUUCEWRRSA-N 1 2 244.338 2.752 20 30 BFEDLO CO[C@@H]1CCC[N@H+]([C@H](C#N)c2ccccc2)CC1 ZINC000595426098 348246800 /nfs/dbraw/zinc/24/68/00/348246800.db2.gz PQHRVAXZOWAQJY-HUUCEWRRSA-N 1 2 244.338 2.752 20 30 BFEDLO C[C@@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)[C@@H]1C ZINC000595349175 348236844 /nfs/dbraw/zinc/23/68/44/348236844.db2.gz ZUAQQMABURPXOZ-BZPMIXESSA-N 1 2 214.312 2.982 20 30 BFEDLO C[C@@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)[C@@H]1C ZINC000595349175 348236845 /nfs/dbraw/zinc/23/68/45/348236845.db2.gz ZUAQQMABURPXOZ-BZPMIXESSA-N 1 2 214.312 2.982 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000595621420 348290941 /nfs/dbraw/zinc/29/09/41/348290941.db2.gz UORMVMBVYRSDFW-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000595621420 348290943 /nfs/dbraw/zinc/29/09/43/348290943.db2.gz UORMVMBVYRSDFW-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595621783 348291089 /nfs/dbraw/zinc/29/10/89/348291089.db2.gz YSVFMZSYHVNABH-NWDGAFQWSA-N 1 2 233.315 2.670 20 30 BFEDLO Cc1cnc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595621783 348291092 /nfs/dbraw/zinc/29/10/92/348291092.db2.gz YSVFMZSYHVNABH-NWDGAFQWSA-N 1 2 233.315 2.670 20 30 BFEDLO COc1cccc([C@@]2(C)CC[N@H+](CCC#N)C2)c1 ZINC000595769257 348335613 /nfs/dbraw/zinc/33/56/13/348335613.db2.gz UUAFKKBLQHDYOE-HNNXBMFYSA-N 1 2 244.338 2.572 20 30 BFEDLO COc1cccc([C@@]2(C)CC[N@@H+](CCC#N)C2)c1 ZINC000595769257 348335618 /nfs/dbraw/zinc/33/56/18/348335618.db2.gz UUAFKKBLQHDYOE-HNNXBMFYSA-N 1 2 244.338 2.572 20 30 BFEDLO CC[N@H+](CCCC(C)(C)C#N)[C@@H](C)C#N ZINC000595814288 348342306 /nfs/dbraw/zinc/34/23/06/348342306.db2.gz SNKSZSRKZCKTHG-NSHDSACASA-N 1 2 207.321 2.550 20 30 BFEDLO CC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)C#N ZINC000595814288 348342308 /nfs/dbraw/zinc/34/23/08/348342308.db2.gz SNKSZSRKZCKTHG-NSHDSACASA-N 1 2 207.321 2.550 20 30 BFEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1F ZINC000595833684 348367242 /nfs/dbraw/zinc/36/72/42/348367242.db2.gz IMLBTDULGMYSGT-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1F ZINC000595833684 348367243 /nfs/dbraw/zinc/36/72/43/348367243.db2.gz IMLBTDULGMYSGT-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595836148 348370240 /nfs/dbraw/zinc/37/02/40/348370240.db2.gz WMCFTMISQGIZOF-CQSZACIVSA-N 1 2 248.301 2.570 20 30 BFEDLO COc1ccc(F)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595836148 348370243 /nfs/dbraw/zinc/37/02/43/348370243.db2.gz WMCFTMISQGIZOF-CQSZACIVSA-N 1 2 248.301 2.570 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842068 348377946 /nfs/dbraw/zinc/37/79/46/348377946.db2.gz BVFASHNKTYPTAV-WFASDCNBSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842068 348377949 /nfs/dbraw/zinc/37/79/49/348377949.db2.gz BVFASHNKTYPTAV-WFASDCNBSA-N 1 2 239.322 2.855 20 30 BFEDLO Cc1ccc(F)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595843836 348381211 /nfs/dbraw/zinc/38/12/11/348381211.db2.gz NVUKUDXOUTXVKR-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(F)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595843836 348381212 /nfs/dbraw/zinc/38/12/12/348381212.db2.gz NVUKUDXOUTXVKR-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO CC[N@H+](CCCc1ccccc1OC)[C@H](C)C#N ZINC000595819819 348360302 /nfs/dbraw/zinc/36/03/02/348360302.db2.gz FKRIUNVXMMQRBJ-CYBMUJFWSA-N 1 2 246.354 2.862 20 30 BFEDLO CC[N@@H+](CCCc1ccccc1OC)[C@H](C)C#N ZINC000595819819 348360306 /nfs/dbraw/zinc/36/03/06/348360306.db2.gz FKRIUNVXMMQRBJ-CYBMUJFWSA-N 1 2 246.354 2.862 20 30 BFEDLO CC[N@H+](CCCSCC(C)C)[C@H](C)C#N ZINC000595820041 348360894 /nfs/dbraw/zinc/36/08/94/348360894.db2.gz IHHASEYXEWUIEI-GFCCVEGCSA-N 1 2 228.405 3.000 20 30 BFEDLO CC[N@@H+](CCCSCC(C)C)[C@H](C)C#N ZINC000595820041 348360896 /nfs/dbraw/zinc/36/08/96/348360896.db2.gz IHHASEYXEWUIEI-GFCCVEGCSA-N 1 2 228.405 3.000 20 30 BFEDLO CC[N@H+](CC12CCC(CC1)C2)[C@@H](C)C#N ZINC000595820742 348362243 /nfs/dbraw/zinc/36/22/43/348362243.db2.gz PGQOEWIKWVXRND-HIFPTAJRSA-N 1 2 206.333 2.801 20 30 BFEDLO CC[N@@H+](CC12CCC(CC1)C2)[C@@H](C)C#N ZINC000595820742 348362244 /nfs/dbraw/zinc/36/22/44/348362244.db2.gz PGQOEWIKWVXRND-HIFPTAJRSA-N 1 2 206.333 2.801 20 30 BFEDLO CC[N@H+](CCCc1cccc(F)c1)[C@@H](C)C#N ZINC000595820979 348362361 /nfs/dbraw/zinc/36/23/61/348362361.db2.gz RADFWHUXJGQJFX-LBPRGKRZSA-N 1 2 234.318 2.992 20 30 BFEDLO CC[N@@H+](CCCc1cccc(F)c1)[C@@H](C)C#N ZINC000595820979 348362362 /nfs/dbraw/zinc/36/23/62/348362362.db2.gz RADFWHUXJGQJFX-LBPRGKRZSA-N 1 2 234.318 2.992 20 30 BFEDLO CC[N@H+](CCCCC1CCOCC1)[C@@H](C)C#N ZINC000595821389 348363271 /nfs/dbraw/zinc/36/32/71/348363271.db2.gz VCJWQGFMPIBGMY-ZDUSSCGKSA-N 1 2 238.375 2.817 20 30 BFEDLO CC[N@@H+](CCCCC1CCOCC1)[C@@H](C)C#N ZINC000595821389 348363273 /nfs/dbraw/zinc/36/32/73/348363273.db2.gz VCJWQGFMPIBGMY-ZDUSSCGKSA-N 1 2 238.375 2.817 20 30 BFEDLO C=CCOCCSCc1cn2ccccc2[nH+]1 ZINC000419430096 192135247 /nfs/dbraw/zinc/13/52/47/192135247.db2.gz TYEGOAHYYYYAKS-UHFFFAOYSA-N 1 2 248.351 2.770 20 30 BFEDLO C=CC[C@H](CC)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000596221909 348470235 /nfs/dbraw/zinc/47/02/35/348470235.db2.gz GRUYEGHAYSKMKC-LBPRGKRZSA-N 1 2 248.326 2.564 20 30 BFEDLO CC1(C)C[N@H+](CC2(C#N)CC2)[C@@H]1c1cccnc1 ZINC000596591848 348587850 /nfs/dbraw/zinc/58/78/50/348587850.db2.gz LZZSWQJAWZFYSO-CYBMUJFWSA-N 1 2 241.338 2.768 20 30 BFEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)[C@@H]1c1cccnc1 ZINC000596591848 348587852 /nfs/dbraw/zinc/58/78/52/348587852.db2.gz LZZSWQJAWZFYSO-CYBMUJFWSA-N 1 2 241.338 2.768 20 30 BFEDLO CC1(C)C[N@H+](CC2(C#N)CC2)[C@H]1c1ccncc1 ZINC000596594317 348588741 /nfs/dbraw/zinc/58/87/41/348588741.db2.gz UCAMDNSHHKAIEO-ZDUSSCGKSA-N 1 2 241.338 2.768 20 30 BFEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)[C@H]1c1ccncc1 ZINC000596594317 348588743 /nfs/dbraw/zinc/58/87/43/348588743.db2.gz UCAMDNSHHKAIEO-ZDUSSCGKSA-N 1 2 241.338 2.768 20 30 BFEDLO Cc1cc(N2CCC[C@H](CCF)C2)c(C#N)c[nH+]1 ZINC000596478599 348555701 /nfs/dbraw/zinc/55/57/01/348555701.db2.gz HKTFVTFBSVLMTK-GFCCVEGCSA-N 1 2 247.317 2.838 20 30 BFEDLO N#CCC1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC000597194115 348671492 /nfs/dbraw/zinc/67/14/92/348671492.db2.gz NBMXZTHRFDQOGX-UHFFFAOYSA-N 1 2 238.693 2.825 20 30 BFEDLO CC(C)Cc1ncc(C[NH+]2CC(CC#N)C2)s1 ZINC000597193988 348671679 /nfs/dbraw/zinc/67/16/79/348671679.db2.gz LZOIEOGEHKTLCN-UHFFFAOYSA-N 1 2 249.383 2.687 20 30 BFEDLO COCc1csc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000596994565 348640065 /nfs/dbraw/zinc/64/00/65/348640065.db2.gz DGVWFJDSHXDIAG-SNVBAGLBSA-N 1 2 238.356 2.628 20 30 BFEDLO COCc1csc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000596994565 348640067 /nfs/dbraw/zinc/64/00/67/348640067.db2.gz DGVWFJDSHXDIAG-SNVBAGLBSA-N 1 2 238.356 2.628 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(COC)cs1 ZINC000596982543 348642564 /nfs/dbraw/zinc/64/25/64/348642564.db2.gz DERLTLYFCNCSFD-UHFFFAOYSA-N 1 2 238.356 2.630 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(COC)cs1 ZINC000596982543 348642566 /nfs/dbraw/zinc/64/25/66/348642566.db2.gz DERLTLYFCNCSFD-UHFFFAOYSA-N 1 2 238.356 2.630 20 30 BFEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1F ZINC000597228829 348697062 /nfs/dbraw/zinc/69/70/62/348697062.db2.gz HCXJPKXCRVHIHW-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1F ZINC000597228829 348697063 /nfs/dbraw/zinc/69/70/63/348697063.db2.gz HCXJPKXCRVHIHW-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO C[C@]1(C#N)CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000597230195 348697422 /nfs/dbraw/zinc/69/74/22/348697422.db2.gz GINFWOOJBPCUKN-OAHLLOKOSA-N 1 2 239.322 2.903 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000597230195 348697425 /nfs/dbraw/zinc/69/74/25/348697425.db2.gz GINFWOOJBPCUKN-OAHLLOKOSA-N 1 2 239.322 2.903 20 30 BFEDLO COc1cc(C)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229493 348697836 /nfs/dbraw/zinc/69/78/36/348697836.db2.gz BDWSJMSXOTUWSD-OAHLLOKOSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1cc(C)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229493 348697837 /nfs/dbraw/zinc/69/78/37/348697837.db2.gz BDWSJMSXOTUWSD-OAHLLOKOSA-N 1 2 244.338 2.739 20 30 BFEDLO CC(C)Cn1cc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354018652 348797623 /nfs/dbraw/zinc/79/76/23/348797623.db2.gz RBBPTOMZGIBQQF-UHFFFAOYSA-N 1 2 248.374 2.521 20 30 BFEDLO CC(C)Cn1cc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354018652 348797627 /nfs/dbraw/zinc/79/76/27/348797627.db2.gz RBBPTOMZGIBQQF-UHFFFAOYSA-N 1 2 248.374 2.521 20 30 BFEDLO CCOc1cncc(C[N@H+](CCC#N)C(C)C)c1 ZINC000598678671 349021241 /nfs/dbraw/zinc/02/12/41/349021241.db2.gz LOKXMPSCMGTJIA-UHFFFAOYSA-N 1 2 247.342 2.604 20 30 BFEDLO CCOc1cncc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000598678671 349021245 /nfs/dbraw/zinc/02/12/45/349021245.db2.gz LOKXMPSCMGTJIA-UHFFFAOYSA-N 1 2 247.342 2.604 20 30 BFEDLO CCC(F)(F)C[NH2+]Cc1cccc(C#N)c1 ZINC000598996284 349073681 /nfs/dbraw/zinc/07/36/81/349073681.db2.gz FONNHEMZALQZEQ-UHFFFAOYSA-N 1 2 224.254 2.693 20 30 BFEDLO C=C(C)C[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599559270 349217182 /nfs/dbraw/zinc/21/71/82/349217182.db2.gz SRDUJMRZJKRYNY-CQSZACIVSA-N 1 2 239.359 2.664 20 30 BFEDLO C[C@H](C#N)[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC000599469319 349193061 /nfs/dbraw/zinc/19/30/61/349193061.db2.gz CWQYSRRDVMUJCS-SNVBAGLBSA-N 1 2 206.333 2.799 20 30 BFEDLO C[C@H](C#N)[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC000599469319 349193065 /nfs/dbraw/zinc/19/30/65/349193065.db2.gz CWQYSRRDVMUJCS-SNVBAGLBSA-N 1 2 206.333 2.799 20 30 BFEDLO Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c[nH+]1 ZINC000185861182 349375203 /nfs/dbraw/zinc/37/52/03/349375203.db2.gz MFTOOVIXFQYKDQ-NEPJUHHUSA-N 1 2 215.300 2.884 20 30 BFEDLO Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c[nH+]1 ZINC000185861165 349375280 /nfs/dbraw/zinc/37/52/80/349375280.db2.gz MFTOOVIXFQYKDQ-VXGBXAGGSA-N 1 2 215.300 2.884 20 30 BFEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000156058461 191082713 /nfs/dbraw/zinc/08/27/13/191082713.db2.gz IKLOKZJOKSTYCD-CYBMUJFWSA-N 1 2 235.352 2.535 20 30 BFEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000156058461 191082716 /nfs/dbraw/zinc/08/27/16/191082716.db2.gz IKLOKZJOKSTYCD-CYBMUJFWSA-N 1 2 235.352 2.535 20 30 BFEDLO C=C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)C)C(=O)OC ZINC000304207023 350405885 /nfs/dbraw/zinc/40/58/85/350405885.db2.gz KOIIHYNLXKJIHR-FRRDWIJNSA-N 1 2 239.359 2.518 20 30 BFEDLO C=C(C)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000124461685 350697268 /nfs/dbraw/zinc/69/72/68/350697268.db2.gz MXKLYPXVNVZOAY-UHFFFAOYSA-N 1 2 208.211 2.891 20 30 BFEDLO N#CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000051688890 350764606 /nfs/dbraw/zinc/76/46/06/350764606.db2.gz KCXIMYBESCCVBK-AWEZNQCLSA-N 1 2 248.301 2.503 20 30 BFEDLO N#CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000051688890 350764610 /nfs/dbraw/zinc/76/46/10/350764610.db2.gz KCXIMYBESCCVBK-AWEZNQCLSA-N 1 2 248.301 2.503 20 30 BFEDLO C#CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000052075169 350930622 /nfs/dbraw/zinc/93/06/22/350930622.db2.gz ZQHSVERBEZVNRB-VIFPVBQESA-N 1 2 209.239 2.591 20 30 BFEDLO C#CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000052075169 350930626 /nfs/dbraw/zinc/93/06/26/350930626.db2.gz ZQHSVERBEZVNRB-VIFPVBQESA-N 1 2 209.239 2.591 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000271109193 351401147 /nfs/dbraw/zinc/40/11/47/351401147.db2.gz AJXCRIWWCIWEGK-PCAWENJQSA-N 1 2 232.302 2.930 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000271109193 351401150 /nfs/dbraw/zinc/40/11/50/351401150.db2.gz AJXCRIWWCIWEGK-PCAWENJQSA-N 1 2 232.302 2.930 20 30 BFEDLO CC(C)[C@@H](O)C1(C/[NH+]=C/c2ccccc2O)CC1 ZINC000271834989 351439854 /nfs/dbraw/zinc/43/98/54/351439854.db2.gz RSFYFCVVJZPPHH-BRYYZUPOSA-N 1 2 247.338 2.608 20 30 BFEDLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H](C)C#N ZINC000272329604 351468460 /nfs/dbraw/zinc/46/84/60/351468460.db2.gz RJYXOFFQMICVEC-GHMZBOCLSA-N 1 2 243.310 2.980 20 30 BFEDLO C[C@H](c1nc2ccccc2o1)[N@H+](C)C[C@H](C)C#N ZINC000272329604 351468463 /nfs/dbraw/zinc/46/84/63/351468463.db2.gz RJYXOFFQMICVEC-GHMZBOCLSA-N 1 2 243.310 2.980 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000272329606 351468613 /nfs/dbraw/zinc/46/86/13/351468613.db2.gz RJYXOFFQMICVEC-MNOVXSKESA-N 1 2 243.310 2.980 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000272329606 351468616 /nfs/dbraw/zinc/46/86/16/351468616.db2.gz RJYXOFFQMICVEC-MNOVXSKESA-N 1 2 243.310 2.980 20 30 BFEDLO N#CCC[N@@H+](Cc1cccc(F)c1O)CC1CC1 ZINC000272345017 351469511 /nfs/dbraw/zinc/46/95/11/351469511.db2.gz ZKNTYKPSKBOCQK-UHFFFAOYSA-N 1 2 248.301 2.657 20 30 BFEDLO N#CCC[N@H+](Cc1cccc(F)c1O)CC1CC1 ZINC000272345017 351469514 /nfs/dbraw/zinc/46/95/14/351469514.db2.gz ZKNTYKPSKBOCQK-UHFFFAOYSA-N 1 2 248.301 2.657 20 30 BFEDLO CC(C)=CCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000276729990 351646327 /nfs/dbraw/zinc/64/63/27/351646327.db2.gz UJCBVJHMRFPIMR-RIYZIHGNSA-N 1 2 235.283 2.579 20 30 BFEDLO CC(C)n1nccc1C[N@H+](CCC#N)CC1CC1 ZINC000279521198 351815861 /nfs/dbraw/zinc/81/58/61/351815861.db2.gz BDQIZFDPKDHNRB-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)n1nccc1C[N@@H+](CCC#N)CC1CC1 ZINC000279521198 351815862 /nfs/dbraw/zinc/81/58/62/351815862.db2.gz BDQIZFDPKDHNRB-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO C[C@H]1CC(CC[N@H+](C)CC#N)C[C@H](C)C1 ZINC000089122806 351924607 /nfs/dbraw/zinc/92/46/07/351924607.db2.gz VHYDJEXFGAFYJZ-VXGBXAGGSA-N 1 2 208.349 2.904 20 30 BFEDLO C[C@H]1CC(CC[N@@H+](C)CC#N)C[C@H](C)C1 ZINC000089122806 351924609 /nfs/dbraw/zinc/92/46/09/351924609.db2.gz VHYDJEXFGAFYJZ-VXGBXAGGSA-N 1 2 208.349 2.904 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCCSC1 ZINC000287017238 352109982 /nfs/dbraw/zinc/10/99/82/352109982.db2.gz GEVUEIVWPSMZAQ-LUHPIMIVSA-N 1 2 235.352 2.954 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCCSC1 ZINC000287017240 352110884 /nfs/dbraw/zinc/11/08/84/352110884.db2.gz GEVUEIVWPSMZAQ-ZECSTPGPSA-N 1 2 235.352 2.954 20 30 BFEDLO CC1(C)C[N@H+](CCC#N)Cc2ccccc2O1 ZINC000288591984 352157052 /nfs/dbraw/zinc/15/70/52/352157052.db2.gz DFQBLFSCGYMZCD-UHFFFAOYSA-N 1 2 230.311 2.573 20 30 BFEDLO CC1(C)C[N@@H+](CCC#N)Cc2ccccc2O1 ZINC000288591984 352157055 /nfs/dbraw/zinc/15/70/55/352157055.db2.gz DFQBLFSCGYMZCD-UHFFFAOYSA-N 1 2 230.311 2.573 20 30 BFEDLO C#Cc1ccc(C[NH2+]CC(F)(F)C(F)F)cc1 ZINC000289519318 352189425 /nfs/dbraw/zinc/18/94/25/352189425.db2.gz DQLOKJGSJGHNEZ-UHFFFAOYSA-N 1 2 245.219 2.658 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000230687114 352242893 /nfs/dbraw/zinc/24/28/93/352242893.db2.gz YMJCRBLGSKGEBR-UHFFFAOYSA-N 1 2 242.244 2.743 20 30 BFEDLO CCCCCCCC(=O)N1CCn2c[nH+]cc2C1 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ZINC000459586923 203308207 /nfs/dbraw/zinc/30/82/07/203308207.db2.gz FNOGPVBGKGIMMD-UHFFFAOYSA-N 1 2 206.333 2.802 20 30 BFEDLO C[C@H](C#N)CNc1cc[nH+]c2c(O)cccc12 ZINC000619483286 369396973 /nfs/dbraw/zinc/39/69/73/369396973.db2.gz IOSYPZUBSOHICE-SECBINFHSA-N 1 2 227.267 2.512 20 30 BFEDLO C=CC[NH+](CC=C)Cc1noc2c1CCCC2 ZINC000108917204 369415731 /nfs/dbraw/zinc/41/57/31/369415731.db2.gz BUJLZMNWRNQDTI-UHFFFAOYSA-N 1 2 232.327 2.727 20 30 BFEDLO N#Cc1cccc2c1C[N@H+](CCc1ccccn1)C2 ZINC000405081533 369444260 /nfs/dbraw/zinc/44/42/60/369444260.db2.gz MLTVAJRGNAEHGA-UHFFFAOYSA-N 1 2 249.317 2.512 20 30 BFEDLO N#Cc1cccc2c1C[N@@H+](CCc1ccccn1)C2 ZINC000405081533 369444265 /nfs/dbraw/zinc/44/42/65/369444265.db2.gz MLTVAJRGNAEHGA-UHFFFAOYSA-N 1 2 249.317 2.512 20 30 BFEDLO Cc1ccoc1C[NH2+]CC1(C#N)CCCC1 ZINC000405178677 369448437 /nfs/dbraw/zinc/44/84/37/369448437.db2.gz GULRIFBSCNMIRP-UHFFFAOYSA-N 1 2 218.300 2.762 20 30 BFEDLO CC#CC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459755861 203358759 /nfs/dbraw/zinc/35/87/59/203358759.db2.gz GGSCKCMLSMRDSI-UHFFFAOYSA-N 1 2 205.688 2.679 20 30 BFEDLO CC#CC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459755861 203358762 /nfs/dbraw/zinc/35/87/62/203358762.db2.gz GGSCKCMLSMRDSI-UHFFFAOYSA-N 1 2 205.688 2.679 20 30 BFEDLO C=C[C@H]([NH2+]CCCC1CCCCC1)C(=O)OC ZINC000619700398 369533251 /nfs/dbraw/zinc/53/32/51/369533251.db2.gz VSGVNAUQHXWVNA-ZDUSSCGKSA-N 1 2 239.359 2.664 20 30 BFEDLO C=C[C@@H]([NH2+]CC(C)(C)C1CCCC1)C(=O)OC ZINC000619703326 369535596 /nfs/dbraw/zinc/53/55/96/369535596.db2.gz JKZOLRVPUYZRRL-GFCCVEGCSA-N 1 2 239.359 2.520 20 30 BFEDLO CC[N@H+](CCC(=O)c1ccccc1)C[C@H](C)C#N ZINC000165473834 203384597 /nfs/dbraw/zinc/38/45/97/203384597.db2.gz IQUNGFLQOWBNED-CYBMUJFWSA-N 1 2 244.338 2.741 20 30 BFEDLO CC[N@@H+](CCC(=O)c1ccccc1)C[C@H](C)C#N ZINC000165473834 203384600 /nfs/dbraw/zinc/38/46/00/203384600.db2.gz IQUNGFLQOWBNED-CYBMUJFWSA-N 1 2 244.338 2.741 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](CCCC)C1CCC1)C(=O)OC ZINC000619720596 369551189 /nfs/dbraw/zinc/55/11/89/369551189.db2.gz UCJOODCQDDBGIS-STQMWFEESA-N 1 2 239.359 2.663 20 30 BFEDLO C=C[C@H]([NH2+][C@H]1CCC[C@H]1CCCC)C(=O)OC ZINC000619721120 369551425 /nfs/dbraw/zinc/55/14/25/369551425.db2.gz UNQAOBHHBGDDQG-AGIUHOORSA-N 1 2 239.359 2.663 20 30 BFEDLO N#Cc1c(F)cccc1-c1c[nH+]c2n1CCCC2 ZINC000600846116 369568296 /nfs/dbraw/zinc/56/82/96/369568296.db2.gz VMDJXOORDIRBER-UHFFFAOYSA-N 1 2 241.269 2.897 20 30 BFEDLO C=CCCOCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000620327207 369837273 /nfs/dbraw/zinc/83/72/73/369837273.db2.gz DAQHJUKYHHJIPR-UHFFFAOYSA-N 1 2 248.326 2.538 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccncc1 ZINC000075678134 370166438 /nfs/dbraw/zinc/16/64/38/370166438.db2.gz RNAHZORROCMSFS-NEPJUHHUSA-N 1 2 217.316 2.624 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccncc1 ZINC000075678134 370166442 /nfs/dbraw/zinc/16/64/42/370166442.db2.gz RNAHZORROCMSFS-NEPJUHHUSA-N 1 2 217.316 2.624 20 30 BFEDLO C=C(C)[C@H](CO)[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401570 370339225 /nfs/dbraw/zinc/33/92/25/370339225.db2.gz CYRNLAKKTXCCFB-NWDGAFQWSA-N 1 2 247.329 2.727 20 30 BFEDLO CC#CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621402173 370340411 /nfs/dbraw/zinc/34/04/11/370340411.db2.gz VZXUXOBTDPAJJH-LLVKDONJSA-N 1 2 215.287 2.813 20 30 BFEDLO CC[C@@H](Nc1cccc(F)c1C#N)c1[nH]cc[nH+]1 ZINC000139810739 370993600 /nfs/dbraw/zinc/99/36/00/370993600.db2.gz TVGITZGSQPWAOU-LLVKDONJSA-N 1 2 244.273 2.984 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1ccccc1Cl ZINC000037871177 371044868 /nfs/dbraw/zinc/04/48/68/371044868.db2.gz XVHNGAKPHDZTBT-VIFPVBQESA-N 1 2 208.692 2.732 20 30 BFEDLO CC[C@H](Nc1cc(C#N)cc(C)n1)c1[nH]cc[nH+]1 ZINC000161694507 371553414 /nfs/dbraw/zinc/55/34/14/371553414.db2.gz CSCQDIBALXMRAM-NSHDSACASA-N 1 2 241.298 2.548 20 30 BFEDLO C=CC[C@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000624393392 371498237 /nfs/dbraw/zinc/49/82/37/371498237.db2.gz XBRYNVVQPSXBBF-LBPRGKRZSA-N 1 2 232.327 2.883 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(C#N)cc1 ZINC000228493588 372035604 /nfs/dbraw/zinc/03/56/04/372035604.db2.gz KEXBOYMCKLSJHO-BDAKNGLRSA-N 1 2 224.254 2.862 20 30 BFEDLO C=C1CC(C)(C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000633455098 373560468 /nfs/dbraw/zinc/56/04/68/373560468.db2.gz ROJAICSPORKRAF-UHFFFAOYSA-N 1 2 244.338 2.671 20 30 BFEDLO CCc1cc(NCc2ccc(C#N)cc2)nc[nH+]1 ZINC000040765161 373698220 /nfs/dbraw/zinc/69/82/20/373698220.db2.gz HETLIKXSDITUSY-UHFFFAOYSA-N 1 2 238.294 2.523 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000154227186 183299387 /nfs/dbraw/zinc/29/93/87/183299387.db2.gz JWHRJPMTPMWJAR-VFBOHGMLSA-N 1 2 245.322 2.769 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000181328167 134335875 /nfs/dbraw/zinc/33/58/75/134335875.db2.gz WALMRKXKZWZOGV-UHFFFAOYSA-N 1 2 238.262 2.742 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000181328167 134335876 /nfs/dbraw/zinc/33/58/76/134335876.db2.gz WALMRKXKZWZOGV-UHFFFAOYSA-N 1 2 238.262 2.742 20 30 BFEDLO C=CC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000518526135 383981207 /nfs/dbraw/zinc/98/12/07/383981207.db2.gz JDIZSSIWOSZAMG-UHFFFAOYSA-N 1 2 213.733 2.946 20 30 BFEDLO C=CC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000518526135 383981211 /nfs/dbraw/zinc/98/12/11/383981211.db2.gz JDIZSSIWOSZAMG-UHFFFAOYSA-N 1 2 213.733 2.946 20 30 BFEDLO CN(Cc1cccc(C#N)c1)c1cccc[nH+]1 ZINC000048558184 383941364 /nfs/dbraw/zinc/94/13/64/383941364.db2.gz GMVWDZNCWSOUPU-UHFFFAOYSA-N 1 2 223.279 2.590 20 30 BFEDLO COCC[N@H+](CCC#N)[C@H](C)c1ccccc1 ZINC000070198545 384087669 /nfs/dbraw/zinc/08/76/69/384087669.db2.gz WKFGGCJAQPWCGS-CYBMUJFWSA-N 1 2 232.327 2.610 20 30 BFEDLO COCC[N@@H+](CCC#N)[C@H](C)c1ccccc1 ZINC000070198545 384087677 /nfs/dbraw/zinc/08/76/77/384087677.db2.gz WKFGGCJAQPWCGS-CYBMUJFWSA-N 1 2 232.327 2.610 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000299180177 384122481 /nfs/dbraw/zinc/12/24/81/384122481.db2.gz ZCPGOWUONFWYQH-SNVBAGLBSA-N 1 2 229.707 2.618 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1cccs1 ZINC000060942711 134392612 /nfs/dbraw/zinc/39/26/12/134392612.db2.gz LMHCNLMNACEZJB-UHFFFAOYSA-N 1 2 206.314 2.650 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1cccs1 ZINC000060942711 134392614 /nfs/dbraw/zinc/39/26/14/134392614.db2.gz LMHCNLMNACEZJB-UHFFFAOYSA-N 1 2 206.314 2.650 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000074048284 384272487 /nfs/dbraw/zinc/27/24/87/384272487.db2.gz WMBJAUIJDFJWNF-SECBINFHSA-N 1 2 224.254 2.556 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000074048284 384272496 /nfs/dbraw/zinc/27/24/96/384272496.db2.gz WMBJAUIJDFJWNF-SECBINFHSA-N 1 2 224.254 2.556 20 30 BFEDLO Cc1cc(N2C[C@@H](C)S[C@H](C)C2)c(C#N)c[nH+]1 ZINC000335514794 384295265 /nfs/dbraw/zinc/29/52/65/384295265.db2.gz ZHLMDULEBUIKFJ-GHMZBOCLSA-N 1 2 247.367 2.592 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)CCSc1ccccc1 ZINC000079618615 384506985 /nfs/dbraw/zinc/50/69/85/384506985.db2.gz IJGLMNBXKKFMID-LBPRGKRZSA-N 1 2 234.368 2.870 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)CCSc1ccccc1 ZINC000079618615 384506989 /nfs/dbraw/zinc/50/69/89/384506989.db2.gz IJGLMNBXKKFMID-LBPRGKRZSA-N 1 2 234.368 2.870 20 30 BFEDLO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C#N ZINC000080480945 384558698 /nfs/dbraw/zinc/55/86/98/384558698.db2.gz XNLFYRALDCDVMJ-SMDDNHRTSA-N 1 2 234.318 2.894 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@H]1CC=CCC1 ZINC000172402036 384584561 /nfs/dbraw/zinc/58/45/61/384584561.db2.gz SARTUEBBGDHNMX-LQELWAHVSA-N 1 2 201.269 2.920 20 30 BFEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC#N ZINC000050508054 384629932 /nfs/dbraw/zinc/62/99/32/384629932.db2.gz SSHNQLCDVYIFJD-JTQLQIEISA-N 1 2 233.271 2.501 20 30 BFEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC#N ZINC000050508054 384629938 /nfs/dbraw/zinc/62/99/38/384629938.db2.gz SSHNQLCDVYIFJD-JTQLQIEISA-N 1 2 233.271 2.501 20 30 BFEDLO Cc1nc(NCC(C)(C)CCC#N)cc[nH+]1 ZINC000309687727 384733139 /nfs/dbraw/zinc/73/31/39/384733139.db2.gz HWAROVRVCCXYOV-UHFFFAOYSA-N 1 2 218.304 2.527 20 30 BFEDLO C=CCN(c1[nH+]c2ccccc2n1C)C1CC1 ZINC000362652604 384759560 /nfs/dbraw/zinc/75/95/60/384759560.db2.gz AARAFPFCTVSPDE-UHFFFAOYSA-N 1 2 227.311 2.728 20 30 BFEDLO C=CCC[NH2+][C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000297414110 384803202 /nfs/dbraw/zinc/80/32/02/384803202.db2.gz MRARRXPECTXMNR-CQSZACIVSA-N 1 2 247.338 2.683 20 30 BFEDLO C#CC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000192239687 384916010 /nfs/dbraw/zinc/91/60/10/384916010.db2.gz MDUYKWHTIQNASG-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO C#CC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000192239687 384916014 /nfs/dbraw/zinc/91/60/14/384916014.db2.gz MDUYKWHTIQNASG-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO CCOc1cccc(C[N@H+](CC)CCC#N)c1 ZINC000127582233 384920950 /nfs/dbraw/zinc/92/09/50/384920950.db2.gz MDRSQOSRAZBYKG-UHFFFAOYSA-N 1 2 232.327 2.821 20 30 BFEDLO CCOc1cccc(C[N@@H+](CC)CCC#N)c1 ZINC000127582233 384920958 /nfs/dbraw/zinc/92/09/58/384920958.db2.gz MDRSQOSRAZBYKG-UHFFFAOYSA-N 1 2 232.327 2.821 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(C)c1 ZINC000127624305 384923954 /nfs/dbraw/zinc/92/39/54/384923954.db2.gz RDTSNVACZQYXRJ-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(C)c1 ZINC000127624305 384923961 /nfs/dbraw/zinc/92/39/61/384923961.db2.gz RDTSNVACZQYXRJ-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000179565566 384970112 /nfs/dbraw/zinc/97/01/12/384970112.db2.gz FYLSEFMKYZUPOL-LLVKDONJSA-N 1 2 241.294 2.530 20 30 BFEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000179565566 384970120 /nfs/dbraw/zinc/97/01/20/384970120.db2.gz FYLSEFMKYZUPOL-LLVKDONJSA-N 1 2 241.294 2.530 20 30 BFEDLO CCc1ccc(C[N@H+](CC)C[C@H](C)C#N)nc1 ZINC000338946435 384961556 /nfs/dbraw/zinc/96/15/56/384961556.db2.gz WKQFOPIGRAJWQP-GFCCVEGCSA-N 1 2 231.343 2.626 20 30 BFEDLO CCc1ccc(C[N@@H+](CC)C[C@H](C)C#N)nc1 ZINC000338946435 384961562 /nfs/dbraw/zinc/96/15/62/384961562.db2.gz WKQFOPIGRAJWQP-GFCCVEGCSA-N 1 2 231.343 2.626 20 30 BFEDLO CCc1nc2c(s1)[C@H]([N@H+](C)CCC#N)CCC2 ZINC000152534974 385191521 /nfs/dbraw/zinc/19/15/21/385191521.db2.gz CRVHPLSQXZTJKH-LLVKDONJSA-N 1 2 249.383 2.928 20 30 BFEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CCC#N)CCC2 ZINC000152534974 385191527 /nfs/dbraw/zinc/19/15/27/385191527.db2.gz CRVHPLSQXZTJKH-LLVKDONJSA-N 1 2 249.383 2.928 20 30 BFEDLO CC#CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000157740823 385250897 /nfs/dbraw/zinc/25/08/97/385250897.db2.gz BBVWCRUFLKEFEG-AWEZNQCLSA-N 1 2 249.741 2.737 20 30 BFEDLO CC#CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000157740823 385250902 /nfs/dbraw/zinc/25/09/02/385250902.db2.gz BBVWCRUFLKEFEG-AWEZNQCLSA-N 1 2 249.741 2.737 20 30 BFEDLO C#CC[N@H+](Cc1nc(C2CC2)cs1)C1CC1 ZINC000491640575 385304768 /nfs/dbraw/zinc/30/47/68/385304768.db2.gz YLYFCQBXAYLNBC-UHFFFAOYSA-N 1 2 232.352 2.618 20 30 BFEDLO C#CC[N@@H+](Cc1nc(C2CC2)cs1)C1CC1 ZINC000491640575 385304774 /nfs/dbraw/zinc/30/47/74/385304774.db2.gz YLYFCQBXAYLNBC-UHFFFAOYSA-N 1 2 232.352 2.618 20 30 BFEDLO C=CCC(C)(C)CNc1cc[nH+]c(C)n1 ZINC000308911818 385288203 /nfs/dbraw/zinc/28/82/03/385288203.db2.gz XISMFWCMEQCROO-UHFFFAOYSA-N 1 2 205.305 2.799 20 30 BFEDLO C[C@@H]([NH2+]CCC#N)c1ccc(F)cc1F ZINC000020199811 385423160 /nfs/dbraw/zinc/42/31/60/385423160.db2.gz QSELOYGVVIWRGZ-MRVPVSSYSA-N 1 2 210.227 2.529 20 30 BFEDLO Cc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000360982118 385492400 /nfs/dbraw/zinc/49/24/00/385492400.db2.gz GFIITCASCAVBKG-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000360982118 385492403 /nfs/dbraw/zinc/49/24/03/385492403.db2.gz GFIITCASCAVBKG-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1c(F)cccc1Cl ZINC000054179926 385597481 /nfs/dbraw/zinc/59/74/81/385597481.db2.gz CGOJZOHZPYMXPQ-MRVPVSSYSA-N 1 2 226.682 2.728 20 30 BFEDLO N#CCC[NH+]1CCC(c2ccsc2)CC1 ZINC000274937135 386164576 /nfs/dbraw/zinc/16/45/76/386164576.db2.gz AEXIQANXYOZOCY-UHFFFAOYSA-N 1 2 220.341 2.841 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000093090416 386127494 /nfs/dbraw/zinc/12/74/94/386127494.db2.gz GRLFJHQEMVLTPA-SECBINFHSA-N 1 2 224.254 2.699 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000093090416 386127498 /nfs/dbraw/zinc/12/74/98/386127498.db2.gz GRLFJHQEMVLTPA-SECBINFHSA-N 1 2 224.254 2.699 20 30 BFEDLO C[C@@]1(F)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000347395443 386381909 /nfs/dbraw/zinc/38/19/09/386381909.db2.gz XIGWIOIRZPFYDT-CQSZACIVSA-N 1 2 235.277 2.611 20 30 BFEDLO C[C@@]1(F)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000347395443 386381914 /nfs/dbraw/zinc/38/19/14/386381914.db2.gz XIGWIOIRZPFYDT-CQSZACIVSA-N 1 2 235.277 2.611 20 30 BFEDLO N#CC[N@H+](CC[C@H]1CCCCO1)C1CCCC1 ZINC000347429840 386399856 /nfs/dbraw/zinc/39/98/56/386399856.db2.gz CMCVJMMRTJIGJU-CQSZACIVSA-N 1 2 236.359 2.714 20 30 BFEDLO N#CC[N@@H+](CC[C@H]1CCCCO1)C1CCCC1 ZINC000347429840 386399858 /nfs/dbraw/zinc/39/98/58/386399858.db2.gz CMCVJMMRTJIGJU-CQSZACIVSA-N 1 2 236.359 2.714 20 30 BFEDLO Cc1nc(F)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000278464758 386530184 /nfs/dbraw/zinc/53/01/84/386530184.db2.gz PNCFEZGNLCWQEC-UHFFFAOYSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1nc(F)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000278464758 386530191 /nfs/dbraw/zinc/53/01/91/386530191.db2.gz PNCFEZGNLCWQEC-UHFFFAOYSA-N 1 2 247.317 2.655 20 30 BFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000335495465 386615489 /nfs/dbraw/zinc/61/54/89/386615489.db2.gz JLPMKDRIQSTWQA-QWRGUYRKSA-N 1 2 247.342 2.607 20 30 BFEDLO N#CC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000334638049 386773669 /nfs/dbraw/zinc/77/36/69/386773669.db2.gz LGNQFAWTGBXNJB-AWEZNQCLSA-N 1 2 226.323 2.780 20 30 BFEDLO N#CC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000334638049 386773672 /nfs/dbraw/zinc/77/36/72/386773672.db2.gz LGNQFAWTGBXNJB-AWEZNQCLSA-N 1 2 226.323 2.780 20 30 BFEDLO N#C[C@H]1[N@H+](CC2CCC2)CCC[C@@]12CCCCO2 ZINC000335748466 386873577 /nfs/dbraw/zinc/87/35/77/386873577.db2.gz SXKPNLBCKUOJBS-CABCVRRESA-N 1 2 248.370 2.714 20 30 BFEDLO N#C[C@H]1[N@@H+](CC2CCC2)CCC[C@@]12CCCCO2 ZINC000335748466 386873580 /nfs/dbraw/zinc/87/35/80/386873580.db2.gz SXKPNLBCKUOJBS-CABCVRRESA-N 1 2 248.370 2.714 20 30 BFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cs1 ZINC000335749851 386874299 /nfs/dbraw/zinc/87/42/99/386874299.db2.gz BLEPELMSQMOWTJ-ZYHUDNBSSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)cs1 ZINC000335749851 386874301 /nfs/dbraw/zinc/87/43/01/386874301.db2.gz BLEPELMSQMOWTJ-ZYHUDNBSSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1nc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cs1 ZINC000335749850 386874667 /nfs/dbraw/zinc/87/46/67/386874667.db2.gz BLEPELMSQMOWTJ-PWSUYJOCSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1nc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cs1 ZINC000335749850 386874668 /nfs/dbraw/zinc/87/46/68/386874668.db2.gz BLEPELMSQMOWTJ-PWSUYJOCSA-N 1 2 235.356 2.576 20 30 BFEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456434587 386946873 /nfs/dbraw/zinc/94/68/73/386946873.db2.gz VBTHXLUPISWKBK-UHIISALHSA-N 1 2 247.342 2.607 20 30 BFEDLO CCC[C@H](CC)Nc1cc(C)[nH+]cc1C#N ZINC000399591440 387033140 /nfs/dbraw/zinc/03/31/40/387033140.db2.gz PKNCZQKXGPHGPZ-LBPRGKRZSA-N 1 2 217.316 2.674 20 30 BFEDLO Cc1cc(N[C@@H]2C[C@@H]2c2ccccc2)c(C#N)c[nH+]1 ZINC000399604554 387036544 /nfs/dbraw/zinc/03/65/44/387036544.db2.gz WGIABNYGVXEYFL-GDBMZVCRSA-N 1 2 249.317 2.652 20 30 BFEDLO CC[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000399617880 387041560 /nfs/dbraw/zinc/04/15/60/387041560.db2.gz YBMMJYODGKNRTH-MWLCHTKSSA-N 1 2 217.316 2.530 20 30 BFEDLO Cc1cc(N[C@@H]2CC23CCCCC3)c(C#N)c[nH+]1 ZINC000399404176 387017927 /nfs/dbraw/zinc/01/79/27/387017927.db2.gz SVVYEJDZIWMXFL-CQSZACIVSA-N 1 2 241.338 2.818 20 30 BFEDLO CC[N@@H+](Cc1nc2ccccc2o1)C[C@@H](C)C#N ZINC000066424372 387083674 /nfs/dbraw/zinc/08/36/74/387083674.db2.gz VZQLHLKSJJLJEN-NSHDSACASA-N 1 2 243.310 2.809 20 30 BFEDLO CC[N@H+](Cc1nc2ccccc2o1)C[C@@H](C)C#N ZINC000066424372 387083677 /nfs/dbraw/zinc/08/36/77/387083677.db2.gz VZQLHLKSJJLJEN-NSHDSACASA-N 1 2 243.310 2.809 20 30 BFEDLO Cc1cc(N[C@H](C2CC2)C2CCC2)c(C#N)c[nH+]1 ZINC000399467274 387123795 /nfs/dbraw/zinc/12/37/95/387123795.db2.gz UECMTSJJIMKOKL-HNNXBMFYSA-N 1 2 241.338 2.674 20 30 BFEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000296014928 387125366 /nfs/dbraw/zinc/12/53/66/387125366.db2.gz LYEKANVPUPWBJR-LBPRGKRZSA-N 1 2 238.331 2.944 20 30 BFEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000296014928 387125370 /nfs/dbraw/zinc/12/53/70/387125370.db2.gz LYEKANVPUPWBJR-LBPRGKRZSA-N 1 2 238.331 2.944 20 30 BFEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000296014904 387125693 /nfs/dbraw/zinc/12/56/93/387125693.db2.gz LYEKANVPUPWBJR-GFCCVEGCSA-N 1 2 238.331 2.944 20 30 BFEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000296014904 387125697 /nfs/dbraw/zinc/12/56/97/387125697.db2.gz LYEKANVPUPWBJR-GFCCVEGCSA-N 1 2 238.331 2.944 20 30 BFEDLO Cc1ccc(C[N@H+](CCC#N)CC2CC2)c(C)n1 ZINC000187113764 387167086 /nfs/dbraw/zinc/16/70/86/387167086.db2.gz VGZYGOJVVYRSMU-UHFFFAOYSA-N 1 2 243.354 2.824 20 30 BFEDLO Cc1ccc(C[N@@H+](CCC#N)CC2CC2)c(C)n1 ZINC000187113764 387167089 /nfs/dbraw/zinc/16/70/89/387167089.db2.gz VGZYGOJVVYRSMU-UHFFFAOYSA-N 1 2 243.354 2.824 20 30 BFEDLO Cc1cc(N2CCC[C@H](C)CC2)c(C#N)c[nH+]1 ZINC000399473588 387141004 /nfs/dbraw/zinc/14/10/04/387141004.db2.gz ZOEGVHGIMQGBHU-NSHDSACASA-N 1 2 229.327 2.888 20 30 BFEDLO C=CCCOCCNc1cc[nH+]c(C(C)C)n1 ZINC000161532764 387241659 /nfs/dbraw/zinc/24/16/59/387241659.db2.gz GQLCFOHOOBSMOC-UHFFFAOYSA-N 1 2 235.331 2.605 20 30 BFEDLO C=CC[C@@H](CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000572200647 387264986 /nfs/dbraw/zinc/26/49/86/387264986.db2.gz NQJGPBGGALHASQ-GFCCVEGCSA-N 1 2 247.342 2.597 20 30 BFEDLO C[N@H+](Cc1ccc(F)cc1)CC1(C#N)CC1 ZINC000258851158 387302856 /nfs/dbraw/zinc/30/28/56/387302856.db2.gz FZLVYTFTPVCXGN-UHFFFAOYSA-N 1 2 218.275 2.561 20 30 BFEDLO C[N@@H+](Cc1ccc(F)cc1)CC1(C#N)CC1 ZINC000258851158 387302860 /nfs/dbraw/zinc/30/28/60/387302860.db2.gz FZLVYTFTPVCXGN-UHFFFAOYSA-N 1 2 218.275 2.561 20 30 BFEDLO C=C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000270532059 387431926 /nfs/dbraw/zinc/43/19/26/387431926.db2.gz FSYFKIVSOVDREZ-UHFFFAOYSA-N 1 2 218.300 2.704 20 30 BFEDLO N#CCc1cc[nH+]c(NCc2cccc(F)c2)c1 ZINC000515727822 387417594 /nfs/dbraw/zinc/41/75/94/387417594.db2.gz QCGLGVFDCBYYME-UHFFFAOYSA-N 1 2 241.269 2.899 20 30 BFEDLO C=CCCCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000274835332 387494366 /nfs/dbraw/zinc/49/43/66/387494366.db2.gz SJKYBIMDEXGTDJ-UHFFFAOYSA-N 1 2 233.315 2.868 20 30 BFEDLO Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccn1 ZINC000527537661 387606594 /nfs/dbraw/zinc/60/65/94/387606594.db2.gz DVANSMREBQOEPA-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccn1 ZINC000527537661 387606599 /nfs/dbraw/zinc/60/65/99/387606599.db2.gz DVANSMREBQOEPA-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)ccn1 ZINC000527532958 387623134 /nfs/dbraw/zinc/62/31/34/387623134.db2.gz FOBZGUBNIFHVQS-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)ccn1 ZINC000527532958 387623138 /nfs/dbraw/zinc/62/31/38/387623138.db2.gz FOBZGUBNIFHVQS-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO CCCc1csc(C[NH2+][C@@H]2CCC[C@@H]2C#N)n1 ZINC000426356927 387558970 /nfs/dbraw/zinc/55/89/70/387558970.db2.gz NOEFRLAOSIANTO-ZYHUDNBSSA-N 1 2 249.383 2.877 20 30 BFEDLO C=CCCC[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431415624 387707853 /nfs/dbraw/zinc/70/78/53/387707853.db2.gz SLKAZRJJKQMRGC-UHFFFAOYSA-N 1 2 233.290 2.512 20 30 BFEDLO C=CCC(C)(C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335038 387804803 /nfs/dbraw/zinc/80/48/03/387804803.db2.gz XDVNLFFEJDCCIC-UHFFFAOYSA-N 1 2 247.342 2.760 20 30 BFEDLO Cc1cncc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000442673365 387819282 /nfs/dbraw/zinc/81/92/82/387819282.db2.gz RFRDXZKAINTZQL-GFCCVEGCSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cncc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000442673365 387819287 /nfs/dbraw/zinc/81/92/87/387819287.db2.gz RFRDXZKAINTZQL-GFCCVEGCSA-N 1 2 229.327 2.514 20 30 BFEDLO COC(C)(C)CC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444734612 387916846 /nfs/dbraw/zinc/91/68/46/387916846.db2.gz SKCLBGUZMWVPGT-LBPRGKRZSA-N 1 2 238.375 2.816 20 30 BFEDLO COC(C)(C)CC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444734612 387916852 /nfs/dbraw/zinc/91/68/52/387916852.db2.gz SKCLBGUZMWVPGT-LBPRGKRZSA-N 1 2 238.375 2.816 20 30 BFEDLO C=C(CC)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444727056 387917373 /nfs/dbraw/zinc/91/73/73/387917373.db2.gz PGXCMULEBKLWKZ-GFCCVEGCSA-N 1 2 206.333 2.967 20 30 BFEDLO C=C(CC)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444727056 387917378 /nfs/dbraw/zinc/91/73/78/387917378.db2.gz PGXCMULEBKLWKZ-GFCCVEGCSA-N 1 2 206.333 2.967 20 30 BFEDLO C=CC[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646064141 388135363 /nfs/dbraw/zinc/13/53/63/388135363.db2.gz GUOBOPUJGHOQRQ-RISCZKNCSA-N 1 2 235.302 2.774 20 30 BFEDLO C=CC[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646064141 388135365 /nfs/dbraw/zinc/13/53/65/388135365.db2.gz GUOBOPUJGHOQRQ-RISCZKNCSA-N 1 2 235.302 2.774 20 30 BFEDLO C=CCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCCCC1 ZINC000456366327 388197723 /nfs/dbraw/zinc/19/77/23/388197723.db2.gz MERKSVIGYOMCMK-UHFFFAOYSA-N 1 2 247.342 2.727 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1occc1C(=O)OC ZINC000489428776 388212782 /nfs/dbraw/zinc/21/27/82/388212782.db2.gz FGOYJMVPNDONKS-NSHDSACASA-N 1 2 249.310 2.607 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1occc1C(=O)OC ZINC000489428776 388212784 /nfs/dbraw/zinc/21/27/84/388212784.db2.gz FGOYJMVPNDONKS-NSHDSACASA-N 1 2 249.310 2.607 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456825959 388225583 /nfs/dbraw/zinc/22/55/83/388225583.db2.gz AAONNINRRHSZOF-HNNXBMFYSA-N 1 2 246.354 2.917 20 30 BFEDLO C=CCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456851622 388227606 /nfs/dbraw/zinc/22/76/06/388227606.db2.gz WTCBDLMULJGUGN-UHFFFAOYSA-N 1 2 232.327 2.671 20 30 BFEDLO C#CC[N@H+](Cc1ccnn1C1CCCC1)C1CC1 ZINC000491373039 388289274 /nfs/dbraw/zinc/28/92/74/388289274.db2.gz LQCIMYIJEGSVCB-UHFFFAOYSA-N 1 2 243.354 2.596 20 30 BFEDLO C#CC[N@@H+](Cc1ccnn1C1CCCC1)C1CC1 ZINC000491373039 388289276 /nfs/dbraw/zinc/28/92/76/388289276.db2.gz LQCIMYIJEGSVCB-UHFFFAOYSA-N 1 2 243.354 2.596 20 30 BFEDLO C#CC[N@@H+](C)Cc1cccc(F)c1Cl ZINC000491203758 388277187 /nfs/dbraw/zinc/27/71/87/388277187.db2.gz YQMBPJAKCYGYRX-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO C#CC[N@H+](C)Cc1cccc(F)c1Cl ZINC000491203758 388277189 /nfs/dbraw/zinc/27/71/89/388277189.db2.gz YQMBPJAKCYGYRX-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1ccc(Cl)o1 ZINC000164668147 388396404 /nfs/dbraw/zinc/39/64/04/388396404.db2.gz IRMPPPASSKUGSK-UHFFFAOYSA-N 1 2 212.680 2.572 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ncccc1Cl ZINC000528524122 388542925 /nfs/dbraw/zinc/54/29/25/388542925.db2.gz WQSXGDGQIGHPRE-SECBINFHSA-N 1 2 223.707 2.517 20 30 BFEDLO C=CCC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccco1 ZINC000552248399 388685338 /nfs/dbraw/zinc/68/53/38/388685338.db2.gz FPWCOVBQPMTBHC-GFCCVEGCSA-N 1 2 231.299 2.800 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cocn1 ZINC000425367218 388704732 /nfs/dbraw/zinc/70/47/32/388704732.db2.gz RVVOSNCHEURYOA-LLVKDONJSA-N 1 2 241.294 2.739 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cocn1 ZINC000425367218 388704735 /nfs/dbraw/zinc/70/47/35/388704735.db2.gz RVVOSNCHEURYOA-LLVKDONJSA-N 1 2 241.294 2.739 20 30 BFEDLO C[C@H]1CC[C@H](C)[NH+]1Cc1cc(C#N)cs1 ZINC000091937909 388732089 /nfs/dbraw/zinc/73/20/89/388732089.db2.gz AXRCEUDRFPGNGD-UWVGGRQHSA-N 1 2 220.341 2.993 20 30 BFEDLO C=CCCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000523287391 388814269 /nfs/dbraw/zinc/81/42/69/388814269.db2.gz CTGNEDGNIHQNND-UHFFFAOYSA-N 1 2 241.294 2.981 20 30 BFEDLO CC#CC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274329543 389046191 /nfs/dbraw/zinc/04/61/91/389046191.db2.gz ANJUSXMGRYINCU-SSDOTTSWSA-N 1 2 248.273 2.836 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC=C(F)C2)ccc1C#N ZINC000488156415 533599677 /nfs/dbraw/zinc/59/96/77/533599677.db2.gz YMLIHPRYVVCJBM-UHFFFAOYSA-N 1 2 230.286 2.926 20 30 BFEDLO Cc1cc(C[N@H+]2CCC=C(F)C2)ccc1C#N ZINC000488156415 533599680 /nfs/dbraw/zinc/59/96/80/533599680.db2.gz YMLIHPRYVVCJBM-UHFFFAOYSA-N 1 2 230.286 2.926 20 30 BFEDLO C=CC[C@@H](CC)NC(=O)Nc1cc[nH+]cc1C ZINC000281957318 133559375 /nfs/dbraw/zinc/55/93/75/133559375.db2.gz MSTUPSUHZLVDPH-LLVKDONJSA-N 1 2 233.315 2.866 20 30 BFEDLO C[C@]1(F)CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000336215490 134136770 /nfs/dbraw/zinc/13/67/70/134136770.db2.gz RWEDUHFIWJQJJN-LBPRGKRZSA-N 1 2 238.331 2.944 20 30 BFEDLO C[C@]1(F)CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000336215490 134136771 /nfs/dbraw/zinc/13/67/71/134136771.db2.gz RWEDUHFIWJQJJN-LBPRGKRZSA-N 1 2 238.331 2.944 20 30 BFEDLO CC1(C)CCC[N@H+](CCCCF)[C@H]1C#N ZINC000352401812 134143184 /nfs/dbraw/zinc/14/31/84/134143184.db2.gz JHRTUNCZGDWGIB-NSHDSACASA-N 1 2 212.312 2.750 20 30 BFEDLO CC1(C)CCC[N@@H+](CCCCF)[C@H]1C#N ZINC000352401812 134143185 /nfs/dbraw/zinc/14/31/85/134143185.db2.gz JHRTUNCZGDWGIB-NSHDSACASA-N 1 2 212.312 2.750 20 30 BFEDLO CCn1nc(C)c(C[N@H+](C)CC(C)(C)C#N)c1C ZINC000354019469 134165951 /nfs/dbraw/zinc/16/59/51/134165951.db2.gz YRFSMCUOWRQBDP-UHFFFAOYSA-N 1 2 248.374 2.501 20 30 BFEDLO CCn1nc(C)c(C[N@@H+](C)CC(C)(C)C#N)c1C ZINC000354019469 134165952 /nfs/dbraw/zinc/16/59/52/134165952.db2.gz YRFSMCUOWRQBDP-UHFFFAOYSA-N 1 2 248.374 2.501 20 30 BFEDLO C#CCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000367225244 134177562 /nfs/dbraw/zinc/17/75/62/134177562.db2.gz AJBPWIIFYGMFEQ-UHFFFAOYSA-N 1 2 249.317 2.647 20 30 BFEDLO N#CCC[C@@H](C#N)C[NH+]1CC2(C1)CCCCC2 ZINC000371953075 134230002 /nfs/dbraw/zinc/23/00/02/134230002.db2.gz JJPHPXXJUHPFGJ-ZDUSSCGKSA-N 1 2 231.343 2.696 20 30 BFEDLO C=CCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000373837823 134235202 /nfs/dbraw/zinc/23/52/02/134235202.db2.gz UTHDVGQYCQTPGO-HUUCEWRRSA-N 1 2 248.370 2.880 20 30 BFEDLO C=CCCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000373837823 134235203 /nfs/dbraw/zinc/23/52/03/134235203.db2.gz UTHDVGQYCQTPGO-HUUCEWRRSA-N 1 2 248.370 2.880 20 30 BFEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(CCCC)no1 ZINC000181271973 134334382 /nfs/dbraw/zinc/33/43/82/134334382.db2.gz FWUMUMLGLFKRFH-NSHDSACASA-N 1 2 237.347 2.981 20 30 BFEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nc(CCCC)no1 ZINC000181271973 134334383 /nfs/dbraw/zinc/33/43/83/134334383.db2.gz FWUMUMLGLFKRFH-NSHDSACASA-N 1 2 237.347 2.981 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000181299017 134335343 /nfs/dbraw/zinc/33/53/43/134335343.db2.gz OIOQGNXJTNRCRN-UHFFFAOYSA-N 1 2 249.339 2.806 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000181299017 134335344 /nfs/dbraw/zinc/33/53/44/134335344.db2.gz OIOQGNXJTNRCRN-UHFFFAOYSA-N 1 2 249.339 2.806 20 30 BFEDLO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC#N ZINC000181663789 134338149 /nfs/dbraw/zinc/33/81/49/134338149.db2.gz MTKLGWKBTLQXQP-CYBMUJFWSA-N 1 2 220.291 2.506 20 30 BFEDLO CC[C@H](C)[N@H+](CC#N)Cc1ccccc1 ZINC000052658578 134385350 /nfs/dbraw/zinc/38/53/50/134385350.db2.gz PZKZYBZVQWCUAN-LBPRGKRZSA-N 1 2 202.301 2.811 20 30 BFEDLO CC[C@H](C)[N@@H+](CC#N)Cc1ccccc1 ZINC000052658578 134385351 /nfs/dbraw/zinc/38/53/51/134385351.db2.gz PZKZYBZVQWCUAN-LBPRGKRZSA-N 1 2 202.301 2.811 20 30 BFEDLO CCc1ccc(C[NH2+][C@@H](CC)CC#N)o1 ZINC000054183907 134387646 /nfs/dbraw/zinc/38/76/46/134387646.db2.gz LMDKWGRDMGCLJK-JTQLQIEISA-N 1 2 206.289 2.624 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC[C@H]1CCCCO1 ZINC000182203080 134919857 /nfs/dbraw/zinc/91/98/57/134919857.db2.gz ZDROVQQDJGELGC-WDGDVPDHSA-N 1 2 233.311 2.770 20 30 BFEDLO N#CCSCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337385221 135014741 /nfs/dbraw/zinc/01/47/41/135014741.db2.gz DYIUSKQVFZVBKD-JTQLQIEISA-N 1 2 248.342 2.753 20 30 BFEDLO N#CCSCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337385221 135014744 /nfs/dbraw/zinc/01/47/44/135014744.db2.gz DYIUSKQVFZVBKD-JTQLQIEISA-N 1 2 248.342 2.753 20 30 BFEDLO N#CCCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337383996 135014876 /nfs/dbraw/zinc/01/48/76/135014876.db2.gz DJYHAJZQVVCOQC-JTQLQIEISA-N 1 2 216.275 2.800 20 30 BFEDLO N#CCCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337383996 135014877 /nfs/dbraw/zinc/01/48/77/135014877.db2.gz DJYHAJZQVVCOQC-JTQLQIEISA-N 1 2 216.275 2.800 20 30 BFEDLO C[N@H+](Cc1cc(F)ccc1F)CC(C)(C)C#N ZINC000258905150 135135308 /nfs/dbraw/zinc/13/53/08/135135308.db2.gz LKBSDFPPVXQQRX-UHFFFAOYSA-N 1 2 238.281 2.946 20 30 BFEDLO C[N@@H+](Cc1cc(F)ccc1F)CC(C)(C)C#N ZINC000258905150 135135309 /nfs/dbraw/zinc/13/53/09/135135309.db2.gz LKBSDFPPVXQQRX-UHFFFAOYSA-N 1 2 238.281 2.946 20 30 BFEDLO CSC(C)(C)C/[NH+]=C/c1cccc(O)c1O ZINC000266636462 135148928 /nfs/dbraw/zinc/14/89/28/135148928.db2.gz SXPFKMUZLSBQNN-NTUHNPAUSA-N 1 2 239.340 2.658 20 30 BFEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccccc1 ZINC000298698915 135200039 /nfs/dbraw/zinc/20/00/39/135200039.db2.gz UXUVFZMVVXRAPF-CYBMUJFWSA-N 1 2 244.338 2.688 20 30 BFEDLO CC[C@@H](c1ccccc1)[N@H+](CC)CC#N ZINC000299393715 135203375 /nfs/dbraw/zinc/20/33/75/135203375.db2.gz KHIYWUIWLYKDCW-ZDUSSCGKSA-N 1 2 202.301 2.983 20 30 BFEDLO CC[C@@H](c1ccccc1)[N@@H+](CC)CC#N ZINC000299393715 135203376 /nfs/dbraw/zinc/20/33/76/135203376.db2.gz KHIYWUIWLYKDCW-ZDUSSCGKSA-N 1 2 202.301 2.983 20 30 BFEDLO C=CC[N@@H+](C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000121323622 135222661 /nfs/dbraw/zinc/22/26/61/135222661.db2.gz SLBBJIJTTTUICB-UHFFFAOYSA-N 1 2 242.322 2.777 20 30 BFEDLO C=CC[N@H+](C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000121323622 135222663 /nfs/dbraw/zinc/22/26/63/135222663.db2.gz SLBBJIJTTTUICB-UHFFFAOYSA-N 1 2 242.322 2.777 20 30 BFEDLO C=C(C)CN(CC)C(=O)Nc1cc[nH+]cc1C ZINC000121434662 135224556 /nfs/dbraw/zinc/22/45/56/135224556.db2.gz CXIOYTHEKBCQDS-UHFFFAOYSA-N 1 2 233.315 2.820 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000342548828 135287196 /nfs/dbraw/zinc/28/71/96/135287196.db2.gz MADXKYVBHLTUHC-UHFFFAOYSA-N 1 2 206.289 2.560 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000342548828 135287198 /nfs/dbraw/zinc/28/71/98/135287198.db2.gz MADXKYVBHLTUHC-UHFFFAOYSA-N 1 2 206.289 2.560 20 30 BFEDLO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC#N ZINC000334280626 135338806 /nfs/dbraw/zinc/33/88/06/135338806.db2.gz RNKVCIOTYZBWCS-CQSZACIVSA-N 1 2 214.312 2.526 20 30 BFEDLO Cc1ccccc1C[C@H]1CCC[N@H+]1CC#N ZINC000334280626 135338807 /nfs/dbraw/zinc/33/88/07/135338807.db2.gz RNKVCIOTYZBWCS-CQSZACIVSA-N 1 2 214.312 2.526 20 30 BFEDLO CC[N@H+](CCC#N)C[C@@H](OC)c1ccccc1 ZINC000284548587 135372285 /nfs/dbraw/zinc/37/22/85/135372285.db2.gz XQHRYPWWTSDIEM-CQSZACIVSA-N 1 2 232.327 2.610 20 30 BFEDLO CC[N@@H+](CCC#N)C[C@@H](OC)c1ccccc1 ZINC000284548587 135372286 /nfs/dbraw/zinc/37/22/86/135372286.db2.gz XQHRYPWWTSDIEM-CQSZACIVSA-N 1 2 232.327 2.610 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1ncc(CSC)s1 ZINC000293462446 135377113 /nfs/dbraw/zinc/37/71/13/135377113.db2.gz DGHJWHXDPDXBNN-UHFFFAOYSA-N 1 2 248.804 2.848 20 30 BFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000330803548 135488365 /nfs/dbraw/zinc/48/83/65/135488365.db2.gz BIMVNXVAPKYMSQ-AVGNSLFASA-N 1 2 243.310 2.545 20 30 BFEDLO CCc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000347847371 136012621 /nfs/dbraw/zinc/01/26/21/136012621.db2.gz FVNYOMWJUFZDDN-LBPRGKRZSA-N 1 2 243.354 2.768 20 30 BFEDLO CCc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000347847371 136012622 /nfs/dbraw/zinc/01/26/22/136012622.db2.gz FVNYOMWJUFZDDN-LBPRGKRZSA-N 1 2 243.354 2.768 20 30 BFEDLO Cc1ccnc([C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000348220846 136047339 /nfs/dbraw/zinc/04/73/39/136047339.db2.gz NPJQUKBCIBMBND-AVGNSLFASA-N 1 2 229.327 2.733 20 30 BFEDLO CC1(C)CCC[N@H+](CCC2CC2)[C@@H]1C#N ZINC000444721533 397943280 /nfs/dbraw/zinc/94/32/80/397943280.db2.gz RSQCXVPYPTUUDP-GFCCVEGCSA-N 1 2 206.333 2.801 20 30 BFEDLO CC1(C)CCC[N@@H+](CCC2CC2)[C@@H]1C#N ZINC000444721533 397943283 /nfs/dbraw/zinc/94/32/83/397943283.db2.gz RSQCXVPYPTUUDP-GFCCVEGCSA-N 1 2 206.333 2.801 20 30 BFEDLO CSCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444723303 397943472 /nfs/dbraw/zinc/94/34/72/397943472.db2.gz UYHPTXHPZGACMI-LLVKDONJSA-N 1 2 226.389 2.754 20 30 BFEDLO CSCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444723303 397943477 /nfs/dbraw/zinc/94/34/77/397943477.db2.gz UYHPTXHPZGACMI-LLVKDONJSA-N 1 2 226.389 2.754 20 30 BFEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000617040121 397921954 /nfs/dbraw/zinc/92/19/54/397921954.db2.gz PRSPFUPDSMGNGD-VXGBXAGGSA-N 1 2 247.342 2.583 20 30 BFEDLO N#CCC1C[NH+](Cc2cc(Cl)ccc2F)C1 ZINC000597194634 398011457 /nfs/dbraw/zinc/01/14/57/398011457.db2.gz USYDSHDOUZUFRX-UHFFFAOYSA-N 1 2 238.693 2.825 20 30 BFEDLO C#CC[N@@H+](Cc1ncc(C(C)C)s1)C1CC1 ZINC000491535535 398047565 /nfs/dbraw/zinc/04/75/65/398047565.db2.gz CMHKEHJORJSFDM-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO C#CC[N@H+](Cc1ncc(C(C)C)s1)C1CC1 ZINC000491535535 398047570 /nfs/dbraw/zinc/04/75/70/398047570.db2.gz CMHKEHJORJSFDM-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO Cc1nccnc1C[N@H+](CCC#N)CC(C)(C)C ZINC000598671196 398035810 /nfs/dbraw/zinc/03/58/10/398035810.db2.gz UQQZJLWDMVZONF-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO Cc1nccnc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000598671196 398035811 /nfs/dbraw/zinc/03/58/11/398035811.db2.gz UQQZJLWDMVZONF-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO CCC(F)(F)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000602883737 398081841 /nfs/dbraw/zinc/08/18/41/398081841.db2.gz LZJNJRMZVNMNOA-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO CCC(F)(F)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000602883737 398081843 /nfs/dbraw/zinc/08/18/43/398081843.db2.gz LZJNJRMZVNMNOA-JTQLQIEISA-N 1 2 216.275 2.657 20 30 BFEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000680424849 487591755 /nfs/dbraw/zinc/59/17/55/487591755.db2.gz GPWCOSQDFXEEPL-MNOVXSKESA-N 1 2 249.358 2.820 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(CCC)n1 ZINC000279191090 166112049 /nfs/dbraw/zinc/11/20/49/166112049.db2.gz DXNAEOUMBDTOGC-UHFFFAOYSA-N 1 2 236.384 2.939 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1csc(CCC)n1 ZINC000279191090 166112055 /nfs/dbraw/zinc/11/20/55/166112055.db2.gz DXNAEOUMBDTOGC-UHFFFAOYSA-N 1 2 236.384 2.939 20 30 BFEDLO C=CCCOCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000270285909 166271315 /nfs/dbraw/zinc/27/13/15/166271315.db2.gz YXUXEOHPLXOVNJ-UHFFFAOYSA-N 1 2 247.342 2.667 20 30 BFEDLO C=CCN(C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000271540616 166310549 /nfs/dbraw/zinc/31/05/49/166310549.db2.gz YYNNPBXVRLHYGJ-UHFFFAOYSA-N 1 2 231.299 2.572 20 30 BFEDLO C=CC[N@@H+](C)Cc1cc(C(C)=O)ccc1OCC ZINC000189023244 166321537 /nfs/dbraw/zinc/32/15/37/166321537.db2.gz SCEDYAIAMPQIIQ-UHFFFAOYSA-N 1 2 247.338 2.906 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(C(C)=O)ccc1OCC ZINC000189023244 166321542 /nfs/dbraw/zinc/32/15/42/166321542.db2.gz SCEDYAIAMPQIIQ-UHFFFAOYSA-N 1 2 247.338 2.906 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccnn1C(C)C ZINC000279536286 166338047 /nfs/dbraw/zinc/33/80/47/166338047.db2.gz CJORWOWJJVBTGH-UHFFFAOYSA-N 1 2 219.332 2.638 20 30 BFEDLO C=CC[N@@H+](Cc1nonc1C)Cc1ccccc1 ZINC000264999891 166346794 /nfs/dbraw/zinc/34/67/94/166346794.db2.gz DVPBQKRDRRIPHJ-UHFFFAOYSA-N 1 2 243.310 2.566 20 30 BFEDLO C=CC[N@H+](Cc1nonc1C)Cc1ccccc1 ZINC000264999891 166346798 /nfs/dbraw/zinc/34/67/98/166346798.db2.gz DVPBQKRDRRIPHJ-UHFFFAOYSA-N 1 2 243.310 2.566 20 30 BFEDLO C=CC[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000661378919 411760536 /nfs/dbraw/zinc/76/05/36/411760536.db2.gz OMYQTIFQQKBMJM-LLVKDONJSA-N 1 2 247.342 2.735 20 30 BFEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000661378919 411760538 /nfs/dbraw/zinc/76/05/38/411760538.db2.gz OMYQTIFQQKBMJM-LLVKDONJSA-N 1 2 247.342 2.735 20 30 BFEDLO C=CC[C@H]1CCCN(c2nc[nH+]c(C)c2OC)C1 ZINC000664255997 411901392 /nfs/dbraw/zinc/90/13/92/411901392.db2.gz NGDWKJWSJCPLJH-LBPRGKRZSA-N 1 2 247.342 2.586 20 30 BFEDLO C=CCOCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000664386407 411937059 /nfs/dbraw/zinc/93/70/59/411937059.db2.gz PPYCZZBUYNHHCL-UHFFFAOYSA-N 1 2 247.342 2.667 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(C(C)C)n1 ZINC000662079755 411978724 /nfs/dbraw/zinc/97/87/24/411978724.db2.gz MCAHEMZDFNHXDL-TXEJJXNPSA-N 1 2 247.342 2.876 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(C(C)C)n1 ZINC000662079755 411978727 /nfs/dbraw/zinc/97/87/27/411978727.db2.gz MCAHEMZDFNHXDL-TXEJJXNPSA-N 1 2 247.342 2.876 20 30 BFEDLO C=C(C)C[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662238695 412035737 /nfs/dbraw/zinc/03/57/37/412035737.db2.gz SSOOEFMSUQQBFF-VHSXEESVSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C(C)C[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662238695 412035741 /nfs/dbraw/zinc/03/57/41/412035741.db2.gz SSOOEFMSUQQBFF-VHSXEESVSA-N 1 2 237.265 2.604 20 30 BFEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C#N ZINC000042223979 171114223 /nfs/dbraw/zinc/11/42/23/171114223.db2.gz DHZUMQCFWVRFBK-IUODEOHRSA-N 1 2 244.338 2.558 20 30 BFEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1C#N ZINC000042223979 171114226 /nfs/dbraw/zinc/11/42/26/171114226.db2.gz DHZUMQCFWVRFBK-IUODEOHRSA-N 1 2 244.338 2.558 20 30 BFEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccccc1C#N ZINC000340884707 171206409 /nfs/dbraw/zinc/20/64/09/171206409.db2.gz NJSUYGIHHSHIKG-HNNXBMFYSA-N 1 2 244.338 2.559 20 30 BFEDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccccc1C#N ZINC000340884707 171206411 /nfs/dbraw/zinc/20/64/11/171206411.db2.gz NJSUYGIHHSHIKG-HNNXBMFYSA-N 1 2 244.338 2.559 20 30 BFEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@H]1C ZINC000292863422 177260991 /nfs/dbraw/zinc/26/09/91/177260991.db2.gz AMULONTXAUAIIT-UWVGGRQHSA-N 1 2 218.275 2.538 20 30 BFEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@H]1C ZINC000292863422 177260993 /nfs/dbraw/zinc/26/09/93/177260993.db2.gz AMULONTXAUAIIT-UWVGGRQHSA-N 1 2 218.275 2.538 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000282720641 177275477 /nfs/dbraw/zinc/27/54/77/177275477.db2.gz BXRTUAOODHDRNO-NWDGAFQWSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000282720641 177275479 /nfs/dbraw/zinc/27/54/79/177275479.db2.gz BXRTUAOODHDRNO-NWDGAFQWSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc(F)c1C#N ZINC000336599289 177319839 /nfs/dbraw/zinc/31/98/39/177319839.db2.gz WGUOBEGVHAGVEU-AOOOYVTPSA-N 1 2 218.275 2.680 20 30 BFEDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000336599289 177319840 /nfs/dbraw/zinc/31/98/40/177319840.db2.gz WGUOBEGVHAGVEU-AOOOYVTPSA-N 1 2 218.275 2.680 20 30 BFEDLO Cc1cc(NC[C@H]2CC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399532206 262837934 /nfs/dbraw/zinc/83/79/34/262837934.db2.gz VCUYDPBCLDRYMI-PWSUYJOCSA-N 1 2 229.327 2.532 20 30 BFEDLO Cc1cc(NCC2=CCCCC2)c(C#N)c[nH+]1 ZINC000399487767 267300161 /nfs/dbraw/zinc/30/01/61/267300161.db2.gz FTZGNPWVTTXKJB-UHFFFAOYSA-N 1 2 227.311 2.596 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000784451896 585860375 /nfs/dbraw/zinc/86/03/75/585860375.db2.gz MFARURNOJWMJOX-VHSXEESVSA-N 1 2 247.169 2.806 20 30 BFEDLO C=CCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000667119615 487941451 /nfs/dbraw/zinc/94/14/51/487941451.db2.gz XUSOYWCFTJRVNH-UHFFFAOYSA-N 1 2 233.315 2.704 20 30 BFEDLO CCC(=O)CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405160323 487940990 /nfs/dbraw/zinc/94/09/90/487940990.db2.gz DSQIOAPZBUJINZ-UHFFFAOYSA-N 1 2 242.322 2.633 20 30 BFEDLO CCC(=O)CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405160323 487940997 /nfs/dbraw/zinc/94/09/97/487940997.db2.gz DSQIOAPZBUJINZ-UHFFFAOYSA-N 1 2 242.322 2.633 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000570053546 323048514 /nfs/dbraw/zinc/04/85/14/323048514.db2.gz KNLALEBUXMIVLV-UHFFFAOYSA-N 1 2 243.354 2.694 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000570053546 323048515 /nfs/dbraw/zinc/04/85/15/323048515.db2.gz KNLALEBUXMIVLV-UHFFFAOYSA-N 1 2 243.354 2.694 20 30 BFEDLO N#CCC[C@@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000192335334 323084570 /nfs/dbraw/zinc/08/45/70/323084570.db2.gz DAWDUEBLENLPSB-CQSZACIVSA-N 1 2 241.294 2.809 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000571571020 323148225 /nfs/dbraw/zinc/14/82/25/323148225.db2.gz MITVWLLSNAKHTA-JTQLQIEISA-N 1 2 249.358 2.672 20 30 BFEDLO Cc1ncsc1C[N@@H+](CCC#N)C(C)C ZINC000535786680 323191545 /nfs/dbraw/zinc/19/15/45/323191545.db2.gz PQLGMXMYGBGDQB-UHFFFAOYSA-N 1 2 223.345 2.576 20 30 BFEDLO Cc1ncsc1C[N@H+](CCC#N)C(C)C ZINC000535786680 323191546 /nfs/dbraw/zinc/19/15/46/323191546.db2.gz PQLGMXMYGBGDQB-UHFFFAOYSA-N 1 2 223.345 2.576 20 30 BFEDLO COc1ccc(C[N@H+](CC#N)[C@@H](C)C2CC2)cc1 ZINC000052866980 323195833 /nfs/dbraw/zinc/19/58/33/323195833.db2.gz OCMRKKSBJVCVBI-LBPRGKRZSA-N 1 2 244.338 2.819 20 30 BFEDLO COc1ccc(C[N@@H+](CC#N)[C@@H](C)C2CC2)cc1 ZINC000052866980 323195834 /nfs/dbraw/zinc/19/58/34/323195834.db2.gz OCMRKKSBJVCVBI-LBPRGKRZSA-N 1 2 244.338 2.819 20 30 BFEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000121303396 324008861 /nfs/dbraw/zinc/00/88/61/324008861.db2.gz IXZHJAKVIBTNFG-VIFPVBQESA-N 1 2 249.339 2.977 20 30 BFEDLO C=CC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000121303396 324008864 /nfs/dbraw/zinc/00/88/64/324008864.db2.gz IXZHJAKVIBTNFG-VIFPVBQESA-N 1 2 249.339 2.977 20 30 BFEDLO C=CC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000121319272 324011396 /nfs/dbraw/zinc/01/13/96/324011396.db2.gz NSSRZPYYXNLPQJ-UHFFFAOYSA-N 1 2 228.295 2.959 20 30 BFEDLO C=CC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000121319272 324011400 /nfs/dbraw/zinc/01/14/00/324011400.db2.gz NSSRZPYYXNLPQJ-UHFFFAOYSA-N 1 2 228.295 2.959 20 30 BFEDLO C=CCN(CC=C)c1nc(C)[nH+]c2c1CCCC2 ZINC000543834164 325116931 /nfs/dbraw/zinc/11/69/31/325116931.db2.gz PZOSBYHOTAQWQN-UHFFFAOYSA-N 1 2 243.354 2.842 20 30 BFEDLO Cc1cc([NH2+]C[C@@H](C#N)CCC#N)cc(C)c1O ZINC000564868074 325820890 /nfs/dbraw/zinc/82/08/90/325820890.db2.gz NRWZEZCLPXRGPC-GFCCVEGCSA-N 1 2 243.310 2.865 20 30 BFEDLO COc1ccc(CNc2cccc[nH+]2)cc1C#N ZINC000157441647 326275804 /nfs/dbraw/zinc/27/58/04/326275804.db2.gz YNJXDBGMLUUMFP-UHFFFAOYSA-N 1 2 239.278 2.574 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(C)c(C)s1 ZINC000567912914 326282611 /nfs/dbraw/zinc/28/26/11/326282611.db2.gz RKFGPROOURPJDY-JTQLQIEISA-N 1 2 223.345 2.542 20 30 BFEDLO CC[C@H](CC#N)[NH2+]CC#Cc1ccccc1Cl ZINC000568181636 326321806 /nfs/dbraw/zinc/32/18/06/326321806.db2.gz YYMQNYSDCRHUBS-CYBMUJFWSA-N 1 2 246.741 2.973 20 30 BFEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1F ZINC000683020234 488096706 /nfs/dbraw/zinc/09/67/06/488096706.db2.gz NFPWWMYMYFATIN-DZGCQCFKSA-N 1 2 231.314 2.718 20 30 BFEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1F ZINC000683020234 488096708 /nfs/dbraw/zinc/09/67/08/488096708.db2.gz NFPWWMYMYFATIN-DZGCQCFKSA-N 1 2 231.314 2.718 20 30 BFEDLO C=CC[N@H+](Cc1cn[nH]c1)Cc1ccccc1F ZINC000678208603 488216673 /nfs/dbraw/zinc/21/66/73/488216673.db2.gz AFHNVXPODUPZJX-UHFFFAOYSA-N 1 2 245.301 2.737 20 30 BFEDLO C=CC[N@@H+](Cc1cn[nH]c1)Cc1ccccc1F ZINC000678208603 488216677 /nfs/dbraw/zinc/21/66/77/488216677.db2.gz AFHNVXPODUPZJX-UHFFFAOYSA-N 1 2 245.301 2.737 20 30 BFEDLO C=CC[NH+](CC=C)Cc1nc2c(s1)CCC2 ZINC000678833296 488289417 /nfs/dbraw/zinc/28/94/17/488289417.db2.gz YKGXCVSZJOEYPB-UHFFFAOYSA-N 1 2 234.368 2.806 20 30 BFEDLO C=CC[C@H](C=C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000860929321 582554454 /nfs/dbraw/zinc/55/44/54/582554454.db2.gz GMCCCEQUVBLJEB-NEPJUHHUSA-N 1 2 234.299 2.508 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ccc1F ZINC000293530410 536055238 /nfs/dbraw/zinc/05/52/38/536055238.db2.gz DVVSWDOAZKWWQQ-LLVKDONJSA-N 1 2 236.290 2.616 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000891933928 582740710 /nfs/dbraw/zinc/74/07/10/582740710.db2.gz PACYNLCRNYOMCX-SECBINFHSA-N 1 2 238.718 2.780 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000891933928 582740714 /nfs/dbraw/zinc/74/07/14/582740714.db2.gz PACYNLCRNYOMCX-SECBINFHSA-N 1 2 238.718 2.780 20 30 BFEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000358515337 534394036 /nfs/dbraw/zinc/39/40/36/534394036.db2.gz YMSXMNXFNPYQNG-CYBMUJFWSA-N 1 2 221.300 2.619 20 30 BFEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000358515337 534394041 /nfs/dbraw/zinc/39/40/41/534394041.db2.gz YMSXMNXFNPYQNG-CYBMUJFWSA-N 1 2 221.300 2.619 20 30 BFEDLO Cc1csc(C2([NH2+]CC3(C#N)CC3)CCC2)n1 ZINC000494793455 534795456 /nfs/dbraw/zinc/79/54/56/534795456.db2.gz JKFGTTXXAVYAPH-UHFFFAOYSA-N 1 2 247.367 2.724 20 30 BFEDLO C=CC[NH+](CC=C)Cc1nc2cccnc2s1 ZINC000341623282 534829849 /nfs/dbraw/zinc/82/98/49/534829849.db2.gz RZONTUQNJRRWRS-UHFFFAOYSA-N 1 2 245.351 2.865 20 30 BFEDLO C=CCOCCC[N@@H+](CCC)CC(F)F ZINC000348046048 534875056 /nfs/dbraw/zinc/87/50/56/534875056.db2.gz DDFKPPCQFYJIBW-UHFFFAOYSA-N 1 2 221.291 2.556 20 30 BFEDLO C=CCOCCC[N@H+](CCC)CC(F)F ZINC000348046048 534875058 /nfs/dbraw/zinc/87/50/58/534875058.db2.gz DDFKPPCQFYJIBW-UHFFFAOYSA-N 1 2 221.291 2.556 20 30 BFEDLO CC#CCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000498878324 526310872 /nfs/dbraw/zinc/31/08/72/526310872.db2.gz YKUCAKXCOVOXGM-UHFFFAOYSA-N 1 2 245.370 2.971 20 30 BFEDLO C=CC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487131472 526517881 /nfs/dbraw/zinc/51/78/81/526517881.db2.gz CQYIIFDRFAFOKC-UHFFFAOYSA-N 1 2 209.239 2.509 20 30 BFEDLO C=CC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487131472 526517884 /nfs/dbraw/zinc/51/78/84/526517884.db2.gz CQYIIFDRFAFOKC-UHFFFAOYSA-N 1 2 209.239 2.509 20 30 BFEDLO CO[C@@H]1CCC[C@H]([NH2+][C@](C)(C#N)CC(C)C)C1 ZINC001172926418 974970611 /nfs/dbraw/zinc/97/06/11/974970611.db2.gz BAFAGEZPDOVJJO-MJBXVCDLSA-N 1 2 238.375 2.862 20 30 BFEDLO C#CC[N@@H+](Cc1nnc(C)s1)C1CCCCC1 ZINC000490914273 526911887 /nfs/dbraw/zinc/91/18/87/526911887.db2.gz GZUMKWRBRFPLMH-UHFFFAOYSA-N 1 2 249.383 2.614 20 30 BFEDLO C#CC[N@H+](Cc1nnc(C)s1)C1CCCCC1 ZINC000490914273 526911891 /nfs/dbraw/zinc/91/18/91/526911891.db2.gz GZUMKWRBRFPLMH-UHFFFAOYSA-N 1 2 249.383 2.614 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1sccc1Cl ZINC000306420592 527334247 /nfs/dbraw/zinc/33/42/47/527334247.db2.gz GEQBICFONOCESJ-QMMMGPOBSA-N 1 2 213.733 2.855 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1sccc1Cl ZINC000306420592 527334242 /nfs/dbraw/zinc/33/42/42/527334242.db2.gz GEQBICFONOCESJ-QMMMGPOBSA-N 1 2 213.733 2.855 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccncc1Cl ZINC000173521153 527643722 /nfs/dbraw/zinc/64/37/22/527643722.db2.gz IRXVRGYSHBYVJG-UHFFFAOYSA-N 1 2 222.719 2.909 20 30 BFEDLO CC(C)(C#N)CCCOc1cc[nH+]cc1 ZINC000356097946 534985006 /nfs/dbraw/zinc/98/50/06/534985006.db2.gz POTBSPWMROFYCF-UHFFFAOYSA-N 1 2 204.273 2.790 20 30 BFEDLO CCc1cnc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000335996311 536033417 /nfs/dbraw/zinc/03/34/17/536033417.db2.gz QNBBGJSJSWVUCQ-UHFFFAOYSA-N 1 2 249.383 2.831 20 30 BFEDLO C=CC(C)(C)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894055771 583291068 /nfs/dbraw/zinc/29/10/68/583291068.db2.gz CYAIBGULSGOVRP-SNVBAGLBSA-N 1 2 220.316 2.759 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CC1SCCS1 ZINC000852998879 588714980 /nfs/dbraw/zinc/71/49/80/588714980.db2.gz SSVTYBNXHLJFPG-GHXNOFRVSA-N 1 2 239.365 2.617 20 30 BFEDLO CC1(C)OCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000852998002 588714984 /nfs/dbraw/zinc/71/49/84/588714984.db2.gz GQLQQKQRAIRPNL-KMHUVPDISA-N 1 2 233.311 2.626 20 30 BFEDLO C#CCCCNc1[nH+]cccc1OCCCC#C ZINC000853388628 588740270 /nfs/dbraw/zinc/74/02/70/588740270.db2.gz OSXXQPKELSDMNY-UHFFFAOYSA-N 1 2 242.322 2.699 20 30 BFEDLO Cc1ccc2[nH+]cc(C=NOCC3CCC3)n2c1 ZINC000853439518 588742704 /nfs/dbraw/zinc/74/27/04/588742704.db2.gz KEZIZUUZVXWNRC-UHFFFAOYSA-N 1 2 243.310 2.793 20 30 BFEDLO CC[N@H+](Cc1cc2c(cc1O)CCC2)[C@H](C)C#N ZINC000853578874 588749569 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/nfs/dbraw/zinc/74/12/11/582741211.db2.gz GRPUKCNWCQPRNK-UHFFFAOYSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)cnc1F ZINC000891937305 582741214 /nfs/dbraw/zinc/74/12/14/582741214.db2.gz GRPUKCNWCQPRNK-UHFFFAOYSA-N 1 2 247.317 2.655 20 30 BFEDLO COc1ccc2ccc(NCCCC#N)[nH+]c2c1 ZINC000893128877 583054066 /nfs/dbraw/zinc/05/40/66/583054066.db2.gz SWTHTOYNRWPNBB-UHFFFAOYSA-N 1 2 241.294 2.959 20 30 BFEDLO C=C1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000595576794 583150239 /nfs/dbraw/zinc/15/02/39/583150239.db2.gz GCGXCUHCSSKGGZ-UHFFFAOYSA-N 1 2 232.327 2.705 20 30 BFEDLO Cc1cnc(Cl)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000893551444 583162779 /nfs/dbraw/zinc/16/27/79/583162779.db2.gz MKLIHFRGKZVYJH-UHFFFAOYSA-N 1 2 237.734 2.683 20 30 BFEDLO CC(C)c1c[nH]c(CN(CCC#N)CC2CC2)[nH+]1 ZINC000894003516 583271992 /nfs/dbraw/zinc/27/19/92/583271992.db2.gz MUGYOOYWLDWFST-UHFFFAOYSA-N 1 2 246.358 2.659 20 30 BFEDLO CC(C)c1c[nH]c(CN(C[C@H](C)C#N)C2CC2)[nH+]1 ZINC000894083107 583295469 /nfs/dbraw/zinc/29/54/69/583295469.db2.gz CDLPLFIKYOQRBV-LLVKDONJSA-N 1 2 246.358 2.657 20 30 BFEDLO Cc1coc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000894085496 583295675 /nfs/dbraw/zinc/29/56/75/583295675.db2.gz RRGJPQJJYPZHRL-LLVKDONJSA-N 1 2 218.300 2.712 20 30 BFEDLO Cc1coc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000894085496 583295676 /nfs/dbraw/zinc/29/56/76/583295676.db2.gz RRGJPQJJYPZHRL-LLVKDONJSA-N 1 2 218.300 2.712 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894414867 583453844 /nfs/dbraw/zinc/45/38/44/583453844.db2.gz ITTRMGYUSAGZCR-UHFFFAOYSA-N 1 2 207.321 2.541 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1nc(C(C)C)c[nH]1 ZINC000894414867 583453847 /nfs/dbraw/zinc/45/38/47/583453847.db2.gz ITTRMGYUSAGZCR-UHFFFAOYSA-N 1 2 207.321 2.541 20 30 BFEDLO Cc1coc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000894443942 583460790 /nfs/dbraw/zinc/46/07/90/583460790.db2.gz IVVVHQMYZNXDOR-ZDUSSCGKSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1coc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000894443942 583460792 /nfs/dbraw/zinc/46/07/92/583460792.db2.gz IVVVHQMYZNXDOR-ZDUSSCGKSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccncc2C1 ZINC000857879881 588919293 /nfs/dbraw/zinc/91/92/93/588919293.db2.gz UOUBASGFDODCEY-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccncc2C1 ZINC000857879881 588919295 /nfs/dbraw/zinc/91/92/95/588919295.db2.gz UOUBASGFDODCEY-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO C[C@H](CC(C)(C)C#N)Nc1c[nH+]cc(N(C)C)c1 ZINC000895698771 583710977 /nfs/dbraw/zinc/71/09/77/583710977.db2.gz FTYCNPFLONLKQE-LLVKDONJSA-N 1 2 246.358 2.888 20 30 BFEDLO CCCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990160 588929880 /nfs/dbraw/zinc/92/98/80/588929880.db2.gz SHBGZERUJSTAII-GFCCVEGCSA-N 1 2 249.358 2.805 20 30 BFEDLO N#C[C@H]1CCC[N@H+](Cc2cc3cnccc3o2)C1 ZINC000896500530 583807063 /nfs/dbraw/zinc/80/70/63/583807063.db2.gz GXGRJXDZVXMNLX-LLVKDONJSA-N 1 2 241.294 2.563 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000896500530 583807064 /nfs/dbraw/zinc/80/70/64/583807064.db2.gz GXGRJXDZVXMNLX-LLVKDONJSA-N 1 2 241.294 2.563 20 30 BFEDLO Cc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1F ZINC000896507161 583808339 /nfs/dbraw/zinc/80/83/39/583808339.db2.gz YSTXHRARBUYSGZ-LBPRGKRZSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1F ZINC000896507161 583808341 /nfs/dbraw/zinc/80/83/41/583808341.db2.gz YSTXHRARBUYSGZ-LBPRGKRZSA-N 1 2 232.302 2.870 20 30 BFEDLO CC[C@@H]1C[C@H]1C/[NH+]=C/c1cccc(OC)c1O ZINC000840708317 583851332 /nfs/dbraw/zinc/85/13/32/583851332.db2.gz FQFHKJULNOOCPU-QPDSQYGNSA-N 1 2 233.311 2.866 20 30 BFEDLO Oc1cccc(/C=[NH+]/[C@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000840709397 583855419 /nfs/dbraw/zinc/85/54/19/583855419.db2.gz CQXBIEHLHGZVRV-NSPVTGTOSA-N 1 2 231.295 2.705 20 30 BFEDLO C#C[C@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000897361096 583938832 /nfs/dbraw/zinc/93/88/32/583938832.db2.gz ZDABUPGSTMXZAY-ZDUSSCGKSA-N 1 2 241.338 2.655 20 30 BFEDLO C=CC(C)(C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000897533542 584009349 /nfs/dbraw/zinc/00/93/49/584009349.db2.gz SQPORPMOHRIAHF-UHFFFAOYSA-N 1 2 216.288 2.643 20 30 BFEDLO C[C@@H]1CCC[C@H]1/[NH+]=C\c1ccccc1O ZINC000729641432 584020603 /nfs/dbraw/zinc/02/06/03/584020603.db2.gz HXRMSQFUIYIQOJ-JLYGRIHLSA-N 1 2 203.285 3.000 20 30 BFEDLO CC(C)C(C[N@@H+]1CCO[C@@](C)(C#N)C1)C(C)C ZINC000897586142 584022076 /nfs/dbraw/zinc/02/20/76/584022076.db2.gz GWFBMFGVLQKFGU-AWEZNQCLSA-N 1 2 238.375 2.529 20 30 BFEDLO CC(C)C(C[N@H+]1CCO[C@@](C)(C#N)C1)C(C)C ZINC000897586142 584022080 /nfs/dbraw/zinc/02/20/80/584022080.db2.gz GWFBMFGVLQKFGU-AWEZNQCLSA-N 1 2 238.375 2.529 20 30 BFEDLO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCO[C@](C)(C#N)C2)C1 ZINC000897584888 584022149 /nfs/dbraw/zinc/02/21/49/584022149.db2.gz MIAYJYXROZUGBU-AEGPPILISA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=C[C@H](C)C[C@H](C[N@H+]2CCO[C@](C)(C#N)C2)C1 ZINC000897584888 584022150 /nfs/dbraw/zinc/02/21/50/584022150.db2.gz MIAYJYXROZUGBU-AEGPPILISA-N 1 2 248.370 2.593 20 30 BFEDLO C=CC(C)(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000898460190 584137187 /nfs/dbraw/zinc/13/71/87/584137187.db2.gz GSIQTWRTASZWIP-UHFFFAOYSA-N 1 2 227.254 2.725 20 30 BFEDLO C[C@H]1CC2(CC(/[NH+]=C/c3ccccc3O)C2)CO1 ZINC000899231841 584183191 /nfs/dbraw/zinc/18/31/91/584183191.db2.gz IBDYZJHHZKCEOP-IYWDXEABSA-N 1 2 245.322 2.769 20 30 BFEDLO Cc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)no1 ZINC000901503739 584454821 /nfs/dbraw/zinc/45/48/21/584454821.db2.gz VHRLZGLRZCPLPU-PLNGDYQASA-N 1 2 245.282 2.657 20 30 BFEDLO Fc1ccc(C#CC[N@H+]2CCC[C@H](F)C2)cc1 ZINC000902994843 584712432 /nfs/dbraw/zinc/71/24/32/584712432.db2.gz JIYQMPWCXRSBQU-AWEZNQCLSA-N 1 2 235.277 2.611 20 30 BFEDLO Fc1ccc(C#CC[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000902994843 584712433 /nfs/dbraw/zinc/71/24/33/584712433.db2.gz JIYQMPWCXRSBQU-AWEZNQCLSA-N 1 2 235.277 2.611 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(O)ccc1F ZINC000903035430 584718951 /nfs/dbraw/zinc/71/89/51/584718951.db2.gz PECQJQGNOJEHHR-SNVBAGLBSA-N 1 2 248.301 2.876 20 30 BFEDLO Cc1ccc2c(c1)C/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000731158754 584922965 /nfs/dbraw/zinc/92/29/65/584922965.db2.gz HWJSRWZRPQVSHO-FLIBITNWSA-N 1 2 224.263 2.541 20 30 BFEDLO CC[C@H](C)NN=C1CCc2ccc[nH+]c2CC1 ZINC000817327873 584984619 /nfs/dbraw/zinc/98/46/19/584984619.db2.gz SHUKEZZJAABYHR-NSHDSACASA-N 1 2 231.343 2.705 20 30 BFEDLO CC[C@@H](C)NN=C1CCc2ccc[nH+]c2CC1 ZINC000817327872 584984708 /nfs/dbraw/zinc/98/47/08/584984708.db2.gz SHUKEZZJAABYHR-LLVKDONJSA-N 1 2 231.343 2.705 20 30 BFEDLO O=C1c2ccc(Cl)cc2C/C1=C\c1[nH]cc[nH+]1 ZINC000742436398 585126303 /nfs/dbraw/zinc/12/63/03/585126303.db2.gz BIEHNKREPVDYAG-VQHVLOKHSA-N 1 2 244.681 2.886 20 30 BFEDLO C#CC[N@@H+](CC)Cc1csc(CCCC)n1 ZINC000746456621 585168094 /nfs/dbraw/zinc/16/80/94/585168094.db2.gz BPJPVCSVYAHGGO-UHFFFAOYSA-N 1 2 236.384 2.941 20 30 BFEDLO C#CC[N@H+](CC)Cc1csc(CCCC)n1 ZINC000746456621 585168095 /nfs/dbraw/zinc/16/80/95/585168095.db2.gz BPJPVCSVYAHGGO-UHFFFAOYSA-N 1 2 236.384 2.941 20 30 BFEDLO O=C1c2ccc(F)cc2CC/C1=C/c1[nH]cc[nH+]1 ZINC000747441281 585179016 /nfs/dbraw/zinc/17/90/16/585179016.db2.gz ZUAMYWVRNSOCJW-NTMALXAHSA-N 1 2 242.253 2.761 20 30 BFEDLO C=CC[NH+](CC=C)Cc1c(C)nn(C)c1Cl ZINC000749343779 585201708 /nfs/dbraw/zinc/20/17/08/585201708.db2.gz TXVROICIBYDZNX-UHFFFAOYSA-N 1 2 239.750 2.556 20 30 BFEDLO C[C@H](Cc1ccncc1)/[NH+]=C\c1ccccc1O ZINC000749844516 585207246 /nfs/dbraw/zinc/20/72/46/585207246.db2.gz KQNOZBXDJNWYPP-ZSAINHDTSA-N 1 2 240.306 2.837 20 30 BFEDLO CO[C@@H]1C[C@H](/[NH+]=C\c2ccccc2O)C1(C)C ZINC000753140163 585254409 /nfs/dbraw/zinc/25/44/09/585254409.db2.gz YRJDGRYUNXVEEU-CPLSFFSOSA-N 1 2 233.311 2.625 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1ccnc(Cl)c1)C1CC1 ZINC000754371199 585283264 /nfs/dbraw/zinc/28/32/64/585283264.db2.gz JLNRONCUFOITEV-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1ccnc(Cl)c1)C1CC1 ZINC000754371199 585283265 /nfs/dbraw/zinc/28/32/65/585283265.db2.gz JLNRONCUFOITEV-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO C#CCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756612509 585321548 /nfs/dbraw/zinc/32/15/48/585321548.db2.gz XVGQDTJJOORMHP-VIFPVBQESA-N 1 2 239.265 2.734 20 30 BFEDLO CC[C@H](C)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000764547654 585467397 /nfs/dbraw/zinc/46/73/97/585467397.db2.gz OSKJHQBAGSYVCR-VIFPVBQESA-N 1 2 224.279 2.509 20 30 BFEDLO C#CC[N@H+](Cc1nc2c(s1)CCCC2)C1CC1 ZINC000764678025 585470592 /nfs/dbraw/zinc/47/05/92/585470592.db2.gz ZJMGQNZJRWRRLL-UHFFFAOYSA-N 1 2 246.379 2.620 20 30 BFEDLO C#CC[N@@H+](Cc1nc2c(s1)CCCC2)C1CC1 ZINC000764678025 585470593 /nfs/dbraw/zinc/47/05/93/585470593.db2.gz ZJMGQNZJRWRRLL-UHFFFAOYSA-N 1 2 246.379 2.620 20 30 BFEDLO C#CCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000766750870 585508221 /nfs/dbraw/zinc/50/82/21/585508221.db2.gz PRSQTBRJSYZDSJ-UHFFFAOYSA-N 1 2 226.279 2.665 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1cc(C#N)cs1 ZINC000768154381 585533306 /nfs/dbraw/zinc/53/33/06/585533306.db2.gz SDESLUVIODCAHL-UHFFFAOYSA-N 1 2 247.367 2.991 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(C#N)cs1 ZINC000768154381 585533307 /nfs/dbraw/zinc/53/33/07/585533307.db2.gz SDESLUVIODCAHL-UHFFFAOYSA-N 1 2 247.367 2.991 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000769450841 585557296 /nfs/dbraw/zinc/55/72/96/585557296.db2.gz BAJAXDRXDQTNEU-UKRRQHHQSA-N 1 2 241.334 2.862 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000769450841 585557297 /nfs/dbraw/zinc/55/72/97/585557297.db2.gz BAJAXDRXDQTNEU-UKRRQHHQSA-N 1 2 241.334 2.862 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1cnc2ccccc2c1 ZINC000769451957 585557338 /nfs/dbraw/zinc/55/73/38/585557338.db2.gz QIFDPSYWAATAOJ-UHFFFAOYSA-N 1 2 248.329 2.693 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1cnc2ccccc2c1 ZINC000769451957 585557339 /nfs/dbraw/zinc/55/73/39/585557339.db2.gz QIFDPSYWAATAOJ-UHFFFAOYSA-N 1 2 248.329 2.693 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1cc(F)ccc1Cl ZINC000769962133 585567492 /nfs/dbraw/zinc/56/74/92/585567492.db2.gz BLGRQTGGJKYXJC-VIFPVBQESA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000769962133 585567493 /nfs/dbraw/zinc/56/74/93/585567493.db2.gz BLGRQTGGJKYXJC-VIFPVBQESA-N 1 2 225.694 2.933 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000773176933 585633099 /nfs/dbraw/zinc/63/30/99/585633099.db2.gz BIPUHOOEZCNMCC-UHFFFAOYSA-N 1 2 248.326 2.702 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)Cc1ccccc1 ZINC000773179946 585633281 /nfs/dbraw/zinc/63/32/81/585633281.db2.gz BSCYNTIZVIKICH-UHFFFAOYSA-N 1 2 218.300 2.694 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000773178202 585633317 /nfs/dbraw/zinc/63/33/17/585633317.db2.gz UDNDMOGSCQXULT-UHFFFAOYSA-N 1 2 240.253 2.778 20 30 BFEDLO FC(F)CO[NH+]=C1CCCNc2ccccc21 ZINC000774413804 585657874 /nfs/dbraw/zinc/65/78/74/585657874.db2.gz JZMSEPTXMJUQJI-UHFFFAOYSA-N 1 2 240.253 2.878 20 30 BFEDLO CO[C@@H]1CCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000774542830 585660770 /nfs/dbraw/zinc/66/07/70/585660770.db2.gz PLXYMIGWRFWPNN-LJDHDPBFSA-N 1 2 233.311 2.626 20 30 BFEDLO CO[C@@H]1[C@H](C)[C@H](/[NH+]=C/c2ccccc2O)C1(C)C ZINC000775632137 585682140 /nfs/dbraw/zinc/68/21/40/585682140.db2.gz WEAHTIKBTNPTDP-QTAWBILPSA-N 1 2 247.338 2.871 20 30 BFEDLO Cc1cc[nH+]cc1CCC=NO[C@H]1CCCCO1 ZINC000776725555 585703618 /nfs/dbraw/zinc/70/36/18/585703618.db2.gz BDRTXCRXZNVSDV-AWEZNQCLSA-N 1 2 248.326 2.852 20 30 BFEDLO C=CC[N@@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000777543584 585714947 /nfs/dbraw/zinc/71/49/47/585714947.db2.gz AELQGMSJINBIGR-UHFFFAOYSA-N 1 2 239.388 2.755 20 30 BFEDLO C=CC[N@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000777543584 585714948 /nfs/dbraw/zinc/71/49/48/585714948.db2.gz AELQGMSJINBIGR-UHFFFAOYSA-N 1 2 239.388 2.755 20 30 BFEDLO CC1(C)CC(C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000780146124 585773058 /nfs/dbraw/zinc/77/30/58/585773058.db2.gz FMIITJHKLMPQIF-OQLLNIDSSA-N 1 2 233.311 2.953 20 30 BFEDLO CCCCNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783828521 585844290 /nfs/dbraw/zinc/84/42/90/585844290.db2.gz TZXUTXHTGNSZPL-UHFFFAOYSA-N 1 2 248.355 2.657 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000784451896 585860374 /nfs/dbraw/zinc/86/03/74/585860374.db2.gz MFARURNOJWMJOX-VHSXEESVSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C#N)cc1F ZINC000784577415 585863671 /nfs/dbraw/zinc/86/36/71/585863671.db2.gz ZLZPIXPCSZONGE-SNVBAGLBSA-N 1 2 243.285 2.652 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncc(Cl)n1C ZINC000785997267 585884855 /nfs/dbraw/zinc/88/48/55/585884855.db2.gz KISJKCUHYSKOJT-SNVBAGLBSA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(Cl)n1C ZINC000785997267 585884856 /nfs/dbraw/zinc/88/48/56/585884856.db2.gz KISJKCUHYSKOJT-SNVBAGLBSA-N 1 2 239.750 2.614 20 30 BFEDLO Cc1nc(F)ccc1C[N@@H+](CCC#N)CC(C)C ZINC000787049765 585900283 /nfs/dbraw/zinc/90/02/83/585900283.db2.gz PIPFAXSOQMSYAF-UHFFFAOYSA-N 1 2 249.333 2.901 20 30 BFEDLO Cc1nc(F)ccc1C[N@H+](CCC#N)CC(C)C ZINC000787049765 585900284 /nfs/dbraw/zinc/90/02/84/585900284.db2.gz PIPFAXSOQMSYAF-UHFFFAOYSA-N 1 2 249.333 2.901 20 30 BFEDLO CC[C@@H](C)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000790183675 585959925 /nfs/dbraw/zinc/95/99/25/585959925.db2.gz USCFOEKNXKAEQI-GFCCVEGCSA-N 1 2 242.326 2.594 20 30 BFEDLO CC[C@H](C)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000790183824 585959995 /nfs/dbraw/zinc/95/99/95/585959995.db2.gz OQDVGPCUXGGJBB-JTQLQIEISA-N 1 2 248.355 2.656 20 30 BFEDLO CC(=NNCC1(C)CCCC1)c1cn(C)c(C)[nH+]1 ZINC000793081936 586009907 /nfs/dbraw/zinc/00/99/07/586009907.db2.gz PYURADDJOOZFPU-UHFFFAOYSA-N 1 2 248.374 2.622 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\[C@@H]2CC[C@@H]2C)c1 ZINC000794675389 586046289 /nfs/dbraw/zinc/04/62/89/586046289.db2.gz AEQXENMQCYJDAV-DZPWBNMFSA-N 1 2 219.284 2.618 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)c1cccc(OC)c1 ZINC000795214851 586072475 /nfs/dbraw/zinc/07/24/75/586072475.db2.gz MIAZPRZCTKKPRQ-UHFFFAOYSA-N 1 2 234.299 2.508 20 30 BFEDLO C#CC[N@@H+](C/C=C/Cl)Cc1ccccc1 ZINC000796641327 586108935 /nfs/dbraw/zinc/10/89/35/586108935.db2.gz OXEGFHIWFDZGQG-RMKNXTFCSA-N 1 2 219.715 2.874 20 30 BFEDLO C#CC[N@H+](C/C=C/Cl)Cc1ccccc1 ZINC000796641327 586108936 /nfs/dbraw/zinc/10/89/36/586108936.db2.gz OXEGFHIWFDZGQG-RMKNXTFCSA-N 1 2 219.715 2.874 20 30 BFEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccc(Cl)cc2)c1 ZINC000798232653 586141209 /nfs/dbraw/zinc/14/12/09/586141209.db2.gz ZCYMTFWGDGYLJQ-VOTSOKGWSA-N 1 2 246.697 2.970 20 30 BFEDLO Cn1c[nH+]c(/C=C/C(=O)c2cccc(Cl)c2)c1 ZINC000798231934 586141261 /nfs/dbraw/zinc/14/12/61/586141261.db2.gz MBGJISXJYBXYFN-AATRIKPKSA-N 1 2 246.697 2.970 20 30 BFEDLO Cc1ccc(C(=O)/C=C/c2cn(C)c[nH+]2)cc1 ZINC000798232303 586141360 /nfs/dbraw/zinc/14/13/60/586141360.db2.gz QTYIKJYSUSZALF-BQYQJAHWSA-N 1 2 226.279 2.625 20 30 BFEDLO C#C[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC000798409651 586143390 /nfs/dbraw/zinc/14/33/90/586143390.db2.gz XKGSDMRFRHRQPB-LBPRGKRZSA-N 1 2 229.327 2.732 20 30 BFEDLO C#C[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC000798409357 586143396 /nfs/dbraw/zinc/14/33/96/586143396.db2.gz NZQQAMIPYZZFCG-ZDUSSCGKSA-N 1 2 243.354 2.734 20 30 BFEDLO C[NH+](C)c1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000799722193 586194590 /nfs/dbraw/zinc/19/45/90/586194590.db2.gz KKYUBNHTZDORTG-YPMHNXCESA-N 1 2 229.327 2.857 20 30 BFEDLO CN(C)c1ccc([NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000799722193 586194592 /nfs/dbraw/zinc/19/45/92/586194592.db2.gz KKYUBNHTZDORTG-YPMHNXCESA-N 1 2 229.327 2.857 20 30 BFEDLO COc1ccc([NH2+][C@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000799721220 586194858 /nfs/dbraw/zinc/19/48/58/586194858.db2.gz WXUKKKWJDBEPMQ-MNOVXSKESA-N 1 2 246.310 2.808 20 30 BFEDLO Cc1cc(C(=O)/C=C/c2[nH]cc[nH+]2)oc1C ZINC000799897887 586201805 /nfs/dbraw/zinc/20/18/05/586201805.db2.gz TXQSYJQUZBVFRM-ONEGZZNKSA-N 1 2 216.240 2.516 20 30 BFEDLO C#CCN(c1cc(CC)[nH+]c(C)n1)C1CCCC1 ZINC000799963967 586203898 /nfs/dbraw/zinc/20/38/98/586203898.db2.gz UIRYSCVNYQNUQV-UHFFFAOYSA-N 1 2 243.354 2.730 20 30 BFEDLO Cc1cccc2c1C/C(=C\c1cn(C)c[nH+]1)C2=O ZINC000800792552 586228350 /nfs/dbraw/zinc/22/83/50/586228350.db2.gz BEEXHZZHDVCANM-IZZDOVSWSA-N 1 2 238.290 2.551 20 30 BFEDLO Cc1ccc(C(=O)/C=C/c2cn(C)c[nH+]2)c(C)c1 ZINC000800792163 586228566 /nfs/dbraw/zinc/22/85/66/586228566.db2.gz NAPKYNZIOGBHHZ-FNORWQNLSA-N 1 2 240.306 2.933 20 30 BFEDLO Cc1cccc(C(=O)/C=C\c2cn(C)c[nH+]2)c1 ZINC000800792585 586228703 /nfs/dbraw/zinc/22/87/03/586228703.db2.gz VAOWPHWTIWRVEG-SREVYHEPSA-N 1 2 226.279 2.625 20 30 BFEDLO Cc1ccc(C(=O)/C=C\c2cn(C)c[nH+]2)s1 ZINC000800793808 586229240 /nfs/dbraw/zinc/22/92/40/586229240.db2.gz WDHFJXSURLPRQR-PLNGDYQASA-N 1 2 232.308 2.686 20 30 BFEDLO CC(=NNc1cccc(C)c1)c1cn(C)c(C)[nH+]1 ZINC000800803492 586229902 /nfs/dbraw/zinc/22/99/02/586229902.db2.gz HRIMCKGOERKNFP-UHFFFAOYSA-N 1 2 242.326 2.873 20 30 BFEDLO CC(=NOCc1ccccc1)c1cn(C)c(C)[nH+]1 ZINC000800809806 586230493 /nfs/dbraw/zinc/23/04/93/586230493.db2.gz GZVSRVQJLIAALA-UHFFFAOYSA-N 1 2 243.310 2.669 20 30 BFEDLO CC1(C)CC[C@@H]1/[NH+]=C/c1ccccc1O ZINC000804599439 586402227 /nfs/dbraw/zinc/40/22/27/586402227.db2.gz YUTXHORBDCGHLA-IGVUGNCQSA-N 1 2 203.285 3.000 20 30 BFEDLO Cc1ccc(F)c(N[NH+]=Cc2ccc(N)nc2)c1 ZINC000807976485 586454438 /nfs/dbraw/zinc/45/44/38/586454438.db2.gz MOMRCCFSWAJHRY-UHFFFAOYSA-N 1 2 244.273 2.557 20 30 BFEDLO C[C@@H]1CC(=NNc2[nH+]ccn2C)c2ccccc21 ZINC000807986222 586455379 /nfs/dbraw/zinc/45/53/79/586455379.db2.gz FYXMKUCOZABYTM-SNVBAGLBSA-N 1 2 240.310 2.744 20 30 BFEDLO CC(C[NH+]1Cc2ccccc2C1)=NOC1CCC1 ZINC000812235454 586571584 /nfs/dbraw/zinc/57/15/84/586571584.db2.gz VNVBEIQWWNOTJC-UHFFFAOYSA-N 1 2 244.338 2.947 20 30 BFEDLO CCOc1cccc(/C=[NH+]\CCCCF)c1O ZINC000812444459 586577464 /nfs/dbraw/zinc/57/74/64/586577464.db2.gz HIELHWQIWSINIA-GDNBJRDFSA-N 1 2 239.290 2.960 20 30 BFEDLO CC(=[NH+]OCC(C)C)c1cc(F)c(N)c(F)c1 ZINC000814884192 586642719 /nfs/dbraw/zinc/64/27/19/586642719.db2.gz QRESBJDXOLTGRP-UHFFFAOYSA-N 1 2 242.269 2.944 20 30 BFEDLO CSCCON=C(C)c1ccc(C)[nH+]c1C ZINC000814921907 586651323 /nfs/dbraw/zinc/65/13/23/586651323.db2.gz JKJRUCAZLOYUGO-UHFFFAOYSA-N 1 2 238.356 2.802 20 30 BFEDLO CC(=NOC1CCC1)c1ccc(C)[nH+]c1C ZINC000814937190 586655084 /nfs/dbraw/zinc/65/50/84/586655084.db2.gz XKTOLNZWBCSRAJ-UHFFFAOYSA-N 1 2 218.300 2.992 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccsc1C ZINC000816513385 586738645 /nfs/dbraw/zinc/73/86/45/586738645.db2.gz OYRRFGSHKYZOPF-UHFFFAOYSA-N 1 2 217.337 2.515 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccsc1C ZINC000816513385 586738647 /nfs/dbraw/zinc/73/86/47/586738647.db2.gz OYRRFGSHKYZOPF-UHFFFAOYSA-N 1 2 217.337 2.515 20 30 BFEDLO Fc1cc(N[NH2+]C=CC(F)(F)F)ccn1 ZINC000817326696 586794747 /nfs/dbraw/zinc/79/47/47/586794747.db2.gz ULLJMIDUPZDCDK-UHFFFAOYSA-N 1 2 221.157 2.571 20 30 BFEDLO C=C(Cl)C[N@H+]1CCc2c(O)cccc2C1 ZINC000859943299 589072097 /nfs/dbraw/zinc/07/20/97/589072097.db2.gz HDQQCZAJZXJJAT-UHFFFAOYSA-N 1 2 223.703 2.503 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000859943299 589072099 /nfs/dbraw/zinc/07/20/99/589072099.db2.gz HDQQCZAJZXJJAT-UHFFFAOYSA-N 1 2 223.703 2.503 20 30 BFEDLO N#CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000819155894 586933745 /nfs/dbraw/zinc/93/37/45/586933745.db2.gz XJGZOWNWKHREBO-ZDUSSCGKSA-N 1 2 242.322 2.936 20 30 BFEDLO Nc1ccc(/C=C\C(=O)c2ccc(F)cc2)c[nH+]1 ZINC000821026871 587089290 /nfs/dbraw/zinc/08/92/90/587089290.db2.gz ACOWWSDKGNNSSO-XFSBKJJWSA-N 1 2 242.253 2.699 20 30 BFEDLO C=C[C@@H](CC)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823056855 587199888 /nfs/dbraw/zinc/19/98/88/587199888.db2.gz JIALRPFHHLJMOF-ZDUSSCGKSA-N 1 2 246.354 2.917 20 30 BFEDLO CCCCCCCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000826981685 587366737 /nfs/dbraw/zinc/36/67/37/587366737.db2.gz GDSOMYDODNQETL-HJWRWDBZSA-N 1 2 249.358 2.520 20 30 BFEDLO C#C[C@H](C)N(C)c1[nH+]ccc2c(OC)cccc21 ZINC000828037022 587416943 /nfs/dbraw/zinc/41/69/43/587416943.db2.gz RYNCAURMDRCGAE-NSHDSACASA-N 1 2 240.306 2.701 20 30 BFEDLO C=CCO[NH+]=Cc1cnc(N(CC)CC)s1 ZINC000835015243 587778128 /nfs/dbraw/zinc/77/81/28/587778128.db2.gz FVMULMYAMNBYEF-UHFFFAOYSA-N 1 2 239.344 2.526 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\CC(C)(C)CC#N)c1 ZINC000840710621 587917555 /nfs/dbraw/zinc/91/75/55/587917555.db2.gz KYHUZBNPUYCQRW-SXGWCWSVSA-N 1 2 246.310 2.760 20 30 BFEDLO CCn1c[nH+]cc1C=NN[C@@H]1CCCCC1(C)C ZINC000841635164 587963208 /nfs/dbraw/zinc/96/32/08/587963208.db2.gz GJPTXJRHTYBVLE-CYBMUJFWSA-N 1 2 248.374 2.795 20 30 BFEDLO C=CCCCCC[N@@H+](C)Cc1cnsn1 ZINC000846808646 588290138 /nfs/dbraw/zinc/29/01/38/588290138.db2.gz ZQGIYJRJNCUURE-UHFFFAOYSA-N 1 2 225.361 2.716 20 30 BFEDLO C=CCCCCC[N@H+](C)Cc1cnsn1 ZINC000846808646 588290139 /nfs/dbraw/zinc/29/01/39/588290139.db2.gz ZQGIYJRJNCUURE-UHFFFAOYSA-N 1 2 225.361 2.716 20 30 BFEDLO C#C[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000847021832 588302994 /nfs/dbraw/zinc/30/29/94/588302994.db2.gz BQMDLEPDSROOSR-LBPRGKRZSA-N 1 2 246.354 2.817 20 30 BFEDLO C#C[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000847021832 588302995 /nfs/dbraw/zinc/30/29/95/588302995.db2.gz BQMDLEPDSROOSR-LBPRGKRZSA-N 1 2 246.354 2.817 20 30 BFEDLO C[C@@H]1CCC(=NNCCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000848417307 588381323 /nfs/dbraw/zinc/38/13/23/588381323.db2.gz UCDISTAKUDDHAD-OLZOCXBDSA-N 1 2 248.374 2.675 20 30 BFEDLO CC(N=NCCCn1cc[nH+]c1)C1CCCCC1 ZINC000848418801 588381957 /nfs/dbraw/zinc/38/19/57/588381957.db2.gz NLDZCCCCKOWQNM-UHFFFAOYSA-N 1 2 248.374 2.819 20 30 BFEDLO CC[C@@H]1CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848418547 588382340 /nfs/dbraw/zinc/38/23/40/588382340.db2.gz NLUKBXDAZGNSKB-CYBMUJFWSA-N 1 2 248.374 2.819 20 30 BFEDLO C[C@@H]1CCCC(=NNCCCn2cc[nH+]c2)[C@H]1C ZINC000848419425 588382608 /nfs/dbraw/zinc/38/26/08/588382608.db2.gz XPAMTHDWVUZFQP-OLZOCXBDSA-N 1 2 248.374 2.675 20 30 BFEDLO C=C(C)CCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848783161 588413657 /nfs/dbraw/zinc/41/36/57/588413657.db2.gz UVDHTBOGJABAEZ-UHFFFAOYSA-N 1 2 244.294 2.766 20 30 BFEDLO C=CCCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782525 588413812 /nfs/dbraw/zinc/41/38/12/588413812.db2.gz UDIRTUQTVDFVOI-UHFFFAOYSA-N 1 2 244.294 2.766 20 30 BFEDLO CC[C@@H](/[NH+]=C/c1cccc(O)c1O)C1CC1 ZINC000849172146 588459822 /nfs/dbraw/zinc/45/98/22/588459822.db2.gz MYCQKYJEVPGPRZ-GYBQTFJISA-N 1 2 219.284 2.705 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1cccc(F)n1 ZINC000851779803 588627603 /nfs/dbraw/zinc/62/76/03/588627603.db2.gz XMPDHRXKGLAPKP-UHFFFAOYSA-N 1 2 235.306 2.592 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc(F)n1 ZINC000851779803 588627604 /nfs/dbraw/zinc/62/76/04/588627604.db2.gz XMPDHRXKGLAPKP-UHFFFAOYSA-N 1 2 235.306 2.592 20 30 BFEDLO C=CC[N@@H+](CC=C(Cl)Cl)C1CC1 ZINC000851890090 588641181 /nfs/dbraw/zinc/64/11/81/588641181.db2.gz KEDUJQABZOMQFI-UHFFFAOYSA-N 1 2 206.116 2.956 20 30 BFEDLO C=CC[N@H+](CC=C(Cl)Cl)C1CC1 ZINC000851890090 588641182 /nfs/dbraw/zinc/64/11/82/588641182.db2.gz KEDUJQABZOMQFI-UHFFFAOYSA-N 1 2 206.116 2.956 20 30 BFEDLO C=CC[N@H+](C/C(Cl)=C\Cl)[C@H](C)COC ZINC000852356873 588679430 /nfs/dbraw/zinc/67/94/30/588679430.db2.gz QFPGAUUFPBOKFR-ZFZMKPAXSA-N 1 2 238.158 2.828 20 30 BFEDLO C=CC[N@@H+](C/C(Cl)=C\Cl)[C@H](C)COC ZINC000852356873 588679431 /nfs/dbraw/zinc/67/94/31/588679431.db2.gz QFPGAUUFPBOKFR-ZFZMKPAXSA-N 1 2 238.158 2.828 20 30 BFEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccnc1 ZINC000119108485 589242627 /nfs/dbraw/zinc/24/26/27/589242627.db2.gz FIIXIIAJPQPOGV-VOTSOKGWSA-N 1 2 249.273 2.625 20 30 BFEDLO CC(C)O[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863116074 589259357 /nfs/dbraw/zinc/25/93/57/589259357.db2.gz HZDCXBWSZDADMC-UHFFFAOYSA-N 1 2 242.269 2.790 20 30 BFEDLO C(=[NH+]n1cccn1)[C@H]1CCCc2ccccc21 ZINC000863164346 589266896 /nfs/dbraw/zinc/26/68/96/589266896.db2.gz HEIWFTISQMCKJR-CYBMUJFWSA-N 1 2 225.295 2.837 20 30 BFEDLO C/C=C\C/[NH+]=C/c1cccc(OCC)c1O ZINC000864346124 589354858 /nfs/dbraw/zinc/35/48/58/589354858.db2.gz OABLKKIMAMOMCM-KFQDYXMLSA-N 1 2 219.284 2.786 20 30 BFEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866246995 589482731 /nfs/dbraw/zinc/48/27/31/589482731.db2.gz PPGWJRXLYWHAAK-MNOVXSKESA-N 1 2 244.338 2.961 20 30 BFEDLO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(C#N)c1O ZINC000866246994 589482733 /nfs/dbraw/zinc/48/27/33/589482733.db2.gz PPGWJRXLYWHAAK-GHMZBOCLSA-N 1 2 244.338 2.961 20 30 BFEDLO C=C(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866367699 589488260 /nfs/dbraw/zinc/48/82/60/589488260.db2.gz NEWSVUIQIOBFOA-NSHDSACASA-N 1 2 230.311 2.881 20 30 BFEDLO CC[C@@H]([NH2+]CCC#N)c1cccc(OC)c1OC ZINC000872226456 589897223 /nfs/dbraw/zinc/89/72/23/589897223.db2.gz LJVIWJDKESWNBP-GFCCVEGCSA-N 1 2 248.326 2.658 20 30 BFEDLO C[C@H]([NH2+]CCC#N)c1ccc(C(F)(F)F)nc1 ZINC000872249596 589899985 /nfs/dbraw/zinc/89/99/85/589899985.db2.gz YESNBOZLEDHKEU-QMMMGPOBSA-N 1 2 243.232 2.665 20 30 BFEDLO C#C[C@H]1CC[C@H](Nc2ccc([C@@H](C)O)c[nH+]2)CC1 ZINC000872778608 589969358 /nfs/dbraw/zinc/96/93/58/589969358.db2.gz CPWQLXYSFZJCEG-YRGRVCCFSA-N 1 2 244.338 2.739 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(F)ccc1N(C)C ZINC000876563470 590216583 /nfs/dbraw/zinc/21/65/83/590216583.db2.gz IHJBXHOCRVFMKX-UHFFFAOYSA-N 1 2 249.333 2.627 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(F)ccc1N(C)C ZINC000876563470 590216584 /nfs/dbraw/zinc/21/65/84/590216584.db2.gz IHJBXHOCRVFMKX-UHFFFAOYSA-N 1 2 249.333 2.627 20 30 BFEDLO C#CCCCCCC[N@@H+](C)CC(F)F ZINC000876640239 590225334 /nfs/dbraw/zinc/22/53/34/590225334.db2.gz OIBXBXVTZHURCU-UHFFFAOYSA-N 1 2 203.276 2.767 20 30 BFEDLO C#CCCCCCC[N@H+](C)CC(F)F ZINC000876640239 590225335 /nfs/dbraw/zinc/22/53/35/590225335.db2.gz OIBXBXVTZHURCU-UHFFFAOYSA-N 1 2 203.276 2.767 20 30 BFEDLO COc1ccc([NH2+]C[C@H](C)CCC#N)cc1CO ZINC000876850072 590249492 /nfs/dbraw/zinc/24/94/92/590249492.db2.gz HJXRXQXBCMQXSP-LLVKDONJSA-N 1 2 248.326 2.539 20 30 BFEDLO C=CC[N@@H+](C)Cc1c(F)cccc1OCC ZINC000877426676 590325489 /nfs/dbraw/zinc/32/54/89/590325489.db2.gz PHROFKVCLWRTBJ-UHFFFAOYSA-N 1 2 223.291 2.842 20 30 BFEDLO C=CC[N@H+](C)Cc1c(F)cccc1OCC ZINC000877426676 590325491 /nfs/dbraw/zinc/32/54/91/590325491.db2.gz PHROFKVCLWRTBJ-UHFFFAOYSA-N 1 2 223.291 2.842 20 30 BFEDLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(C#N)cnc1Cl ZINC000877486542 590335670 /nfs/dbraw/zinc/33/56/70/590335670.db2.gz KMBSGRFOQTTZBF-IUCAKERBSA-N 1 2 235.718 2.589 20 30 BFEDLO C#CCCCCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000877572197 590362732 /nfs/dbraw/zinc/36/27/32/590362732.db2.gz NLDNABXIZMCTOR-LBPRGKRZSA-N 1 2 247.329 2.518 20 30 BFEDLO C#CCCCCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000877572197 590362735 /nfs/dbraw/zinc/36/27/35/590362735.db2.gz NLDNABXIZMCTOR-LBPRGKRZSA-N 1 2 247.329 2.518 20 30 BFEDLO C[N@H+](CCC#N)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878175470 590516134 /nfs/dbraw/zinc/51/61/34/590516134.db2.gz SGQUSMBLVMWWAM-HUUCEWRRSA-N 1 2 244.338 2.752 20 30 BFEDLO C[N@@H+](CCC#N)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878175470 590516136 /nfs/dbraw/zinc/51/61/36/590516136.db2.gz SGQUSMBLVMWWAM-HUUCEWRRSA-N 1 2 244.338 2.752 20 30 BFEDLO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000878348661 590553051 /nfs/dbraw/zinc/55/30/51/590553051.db2.gz SHCQMTBFPMOTRE-GXTWGEPZSA-N 1 2 247.338 2.763 20 30 BFEDLO C#CC[C@@H]([NH2+]Cc1nocc1C)c1ccccc1 ZINC000878363057 590554542 /nfs/dbraw/zinc/55/45/42/590554542.db2.gz PPXRJSJBHDVNIU-CQSZACIVSA-N 1 2 240.306 2.837 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)nc1Cl ZINC000878820868 590627984 /nfs/dbraw/zinc/62/79/84/590627984.db2.gz ONQZYCGHXVSKQL-ZETCQYMHSA-N 1 2 244.125 2.780 20 30 BFEDLO C#C[C@@](C)(CC)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000878908544 590644520 /nfs/dbraw/zinc/64/45/20/590644520.db2.gz OQJQGXYXOLBYCW-AWEZNQCLSA-N 1 2 245.326 2.622 20 30 BFEDLO CC[N@H+](CC1CC2(CCC2)C1)[C@@H](C)C#N ZINC000878986955 590669948 /nfs/dbraw/zinc/66/99/48/590669948.db2.gz BPTPXSFFDLAVIL-NSHDSACASA-N 1 2 206.333 2.801 20 30 BFEDLO CC[N@@H+](CC1CC2(CCC2)C1)[C@@H](C)C#N ZINC000878986955 590669950 /nfs/dbraw/zinc/66/99/50/590669950.db2.gz BPTPXSFFDLAVIL-NSHDSACASA-N 1 2 206.333 2.801 20 30 BFEDLO C[N@H+](CC#N)C1(Cc2ccccc2)CCCC1 ZINC000880123491 590929735 /nfs/dbraw/zinc/92/97/35/590929735.db2.gz QKTXLEFDKWFSCK-UHFFFAOYSA-N 1 2 228.339 2.997 20 30 BFEDLO C[N@@H+](CC#N)C1(Cc2ccccc2)CCCC1 ZINC000880123491 590929738 /nfs/dbraw/zinc/92/97/38/590929738.db2.gz QKTXLEFDKWFSCK-UHFFFAOYSA-N 1 2 228.339 2.997 20 30 BFEDLO C=CC(C)(C)CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000880191823 590955654 /nfs/dbraw/zinc/95/56/54/590955654.db2.gz QXYGFPLUQJCBMF-NSHDSACASA-N 1 2 249.358 2.683 20 30 BFEDLO C=CC(C)(C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000880240866 590974248 /nfs/dbraw/zinc/97/42/48/590974248.db2.gz OFRDRAOBUPAPQX-UHFFFAOYSA-N 1 2 246.354 2.917 20 30 BFEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(F)CC1 ZINC000880242118 590975193 /nfs/dbraw/zinc/97/51/93/590975193.db2.gz PWZDOGFKMZPBDG-UHFFFAOYSA-N 1 2 236.265 2.631 20 30 BFEDLO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)o1 ZINC000129179499 591266746 /nfs/dbraw/zinc/26/67/46/591266746.db2.gz UEWFEMWPSNECNM-SNVBAGLBSA-N 1 2 206.289 2.788 20 30 BFEDLO Cc1[nH+]cnc(N[C@H]2CC[C@@H](CC#N)C2)c1C ZINC000882411756 591343849 /nfs/dbraw/zinc/34/38/49/591343849.db2.gz NZOSOZPUEQMPHY-RYUDHWBXSA-N 1 2 230.315 2.588 20 30 BFEDLO C[C@H]([NH2+]C[C@H]1C=CCC1)c1cccc(C#N)c1O ZINC000883245830 591586723 /nfs/dbraw/zinc/58/67/23/591586723.db2.gz SOCBVMRFZAKAAK-RYUDHWBXSA-N 1 2 242.322 2.881 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1cccc(F)c1F ZINC000131662844 591637423 /nfs/dbraw/zinc/63/74/23/591637423.db2.gz QYYBXHHGAZTVJJ-UHFFFAOYSA-N 1 2 217.646 2.807 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1ccc(C#N)cc1F ZINC000135511587 592015201 /nfs/dbraw/zinc/01/52/01/592015201.db2.gz QFCMXKGEHHEWAZ-UHFFFAOYSA-N 1 2 224.666 2.539 20 30 BFEDLO C#CC[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000886365291 592219934 /nfs/dbraw/zinc/21/99/34/592219934.db2.gz FMKRERISTDWLAW-SECBINFHSA-N 1 2 240.759 2.642 20 30 BFEDLO C#CC[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000886365291 592219936 /nfs/dbraw/zinc/21/99/36/592219936.db2.gz FMKRERISTDWLAW-SECBINFHSA-N 1 2 240.759 2.642 20 30 BFEDLO N#C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570759 592262783 /nfs/dbraw/zinc/26/27/83/592262783.db2.gz WQCLGAKXWSNYOR-HZSPNIEDSA-N 1 2 244.363 2.546 20 30 BFEDLO N#C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570759 592262784 /nfs/dbraw/zinc/26/27/84/592262784.db2.gz WQCLGAKXWSNYOR-HZSPNIEDSA-N 1 2 244.363 2.546 20 30 BFEDLO Oc1ccccc1/C=[NH+]\C1CCC2(COC2)CC1 ZINC000887270637 592474106 /nfs/dbraw/zinc/47/41/06/592474106.db2.gz QKJMWMOXZHYFDG-SXGWCWSVSA-N 1 2 245.322 2.770 20 30 BFEDLO Oc1ccc(/C=[NH+]/C2CCC=CCC2)c(O)c1O ZINC000887272495 592474660 /nfs/dbraw/zinc/47/46/60/592474660.db2.gz OCKZNPIAZZTVEZ-OQLLNIDSSA-N 1 2 247.294 2.721 20 30 BFEDLO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H](C)C#N ZINC000887313986 592480294 /nfs/dbraw/zinc/48/02/94/592480294.db2.gz PFTRGXHWBTXVST-TZMCWYRMSA-N 1 2 216.328 2.755 20 30 BFEDLO CSCC[C@H](C)[N@@H+]1CCCC[C@@H]1C#N ZINC001258222213 991153826 /nfs/dbraw/zinc/15/38/26/991153826.db2.gz LNROBRZWLPDWDN-WDEREUQCSA-N 1 2 212.362 2.506 20 30 BFEDLO CSCC[C@H](C)[N@H+]1CCCC[C@@H]1C#N ZINC001258222213 991153836 /nfs/dbraw/zinc/15/38/36/991153836.db2.gz LNROBRZWLPDWDN-WDEREUQCSA-N 1 2 212.362 2.506 20 30 BFEDLO C#CC[N@H+](CCC#N)[C@@H]1CCCc2ccccc21 ZINC000933422429 631373431 /nfs/dbraw/zinc/37/34/31/631373431.db2.gz ZSZBBGXAWVBISN-MRXNPFEDSA-N 1 2 238.334 2.913 20 30 BFEDLO C#CC[N@@H+](CCC#N)[C@@H]1CCCc2ccccc21 ZINC000933422429 631373438 /nfs/dbraw/zinc/37/34/38/631373438.db2.gz ZSZBBGXAWVBISN-MRXNPFEDSA-N 1 2 238.334 2.913 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1cn2ccnc2s1 ZINC000891696200 631452473 /nfs/dbraw/zinc/45/24/73/631452473.db2.gz LQLIYKRRCVCULI-UHFFFAOYSA-N 1 2 248.355 2.520 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1cn2ccnc2s1 ZINC000891696200 631452480 /nfs/dbraw/zinc/45/24/80/631452480.db2.gz LQLIYKRRCVCULI-UHFFFAOYSA-N 1 2 248.355 2.520 20 30 BFEDLO Cc1nocc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933771002 631506133 /nfs/dbraw/zinc/50/61/33/631506133.db2.gz UOCIOTNZVOPXQT-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO Cc1nocc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933771002 631506137 /nfs/dbraw/zinc/50/61/37/631506137.db2.gz UOCIOTNZVOPXQT-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1ccc(O)c(F)c1)C1CC1 ZINC000892194902 631777195 /nfs/dbraw/zinc/77/71/95/631777195.db2.gz JTPNDLPYQFIYQZ-SNVBAGLBSA-N 1 2 248.301 2.655 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(O)c(F)c1)C1CC1 ZINC000892194902 631777197 /nfs/dbraw/zinc/77/71/97/631777197.db2.gz JTPNDLPYQFIYQZ-SNVBAGLBSA-N 1 2 248.301 2.655 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nnc(C)s1 ZINC000934460926 631852649 /nfs/dbraw/zinc/85/26/49/631852649.db2.gz LBIYWPNATQXRFF-WPRPVWTQSA-N 1 2 223.345 2.558 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nnc(C)s1 ZINC000934460926 631852653 /nfs/dbraw/zinc/85/26/53/631852653.db2.gz LBIYWPNATQXRFF-WPRPVWTQSA-N 1 2 223.345 2.558 20 30 BFEDLO Cc1ccccc1C(N)=[NH+]OCc1ccccc1 ZINC000047823523 635776935 /nfs/dbraw/zinc/77/69/35/635776935.db2.gz WWBPKJURGBFAGO-UHFFFAOYSA-N 1 2 240.306 2.832 20 30 BFEDLO CC[C@@H]([NH2+]CC(C)C)c1cccc(C#N)c1O ZINC000924532884 632752887 /nfs/dbraw/zinc/75/28/87/632752887.db2.gz YOYYDBGMAMISDS-CYBMUJFWSA-N 1 2 232.327 2.961 20 30 BFEDLO CC(=[NH+]OCC(F)(F)F)c1ccc(N)cc1 ZINC000309269723 632867265 /nfs/dbraw/zinc/86/72/65/632867265.db2.gz KPRDWTRAOIHRPH-UHFFFAOYSA-N 1 2 232.205 2.572 20 30 BFEDLO C#CC[N@@H+](Cc1ocnc1C)Cc1ccccc1 ZINC000894757000 635921617 /nfs/dbraw/zinc/92/16/17/635921617.db2.gz PUZSYPABWSWECZ-UHFFFAOYSA-N 1 2 240.306 2.618 20 30 BFEDLO C#CC[N@H+](Cc1ocnc1C)Cc1ccccc1 ZINC000894757000 635921619 /nfs/dbraw/zinc/92/16/19/635921619.db2.gz PUZSYPABWSWECZ-UHFFFAOYSA-N 1 2 240.306 2.618 20 30 BFEDLO COC(=O)CCCCC/[NH+]=C/c1ccccc1O ZINC000126797708 636034338 /nfs/dbraw/zinc/03/43/38/636034338.db2.gz GVDVGFPAQIMJHP-RVDMUPIBSA-N 1 2 249.310 2.545 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1c(OC)cccc1OC ZINC000309924624 633945795 /nfs/dbraw/zinc/94/57/95/633945795.db2.gz UQYQVELAPNGDIX-UHFFFAOYSA-N 1 2 241.718 2.546 20 30 BFEDLO C=C[C@@H](CC)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000895504712 636152894 /nfs/dbraw/zinc/15/28/94/636152894.db2.gz CNOFFPATNCKPOY-NSHDSACASA-N 1 2 243.310 2.875 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1nccc2c1CCCC2 ZINC000893552160 635149440 /nfs/dbraw/zinc/14/94/40/635149440.db2.gz QVKXMILJWVNVGB-UHFFFAOYSA-N 1 2 243.354 2.600 20 30 BFEDLO C=CC1(Cc2nc(C[NH2+]CC)no2)CCCCC1 ZINC000904495313 637423721 /nfs/dbraw/zinc/42/37/21/637423721.db2.gz SCUJKRAGZSXKPD-UHFFFAOYSA-N 1 2 249.358 2.858 20 30 BFEDLO C=CC[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)C(=O)OC ZINC000905777927 637909201 /nfs/dbraw/zinc/90/92/01/637909201.db2.gz HRYVWDCMPRGEOQ-QJPTWQEYSA-N 1 2 239.359 2.518 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906590668 638213771 /nfs/dbraw/zinc/21/37/71/638213771.db2.gz SCHXQKLRTMUUPC-SOUVJXGZSA-N 1 2 244.313 2.917 20 30 BFEDLO C[C@]1(C#N)CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906590668 638213775 /nfs/dbraw/zinc/21/37/75/638213775.db2.gz SCHXQKLRTMUUPC-SOUVJXGZSA-N 1 2 244.313 2.917 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C(C)C)ns1 ZINC000930599647 639816770 /nfs/dbraw/zinc/81/67/70/639816770.db2.gz CAOAWAXLJDYAMV-LBPRGKRZSA-N 1 2 237.372 2.553 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000930867108 639960763 /nfs/dbraw/zinc/96/07/63/639960763.db2.gz GIGJZXFKEUUHSA-SECBINFHSA-N 1 2 233.702 2.603 20 30 BFEDLO Cc1cc(C)nc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000931477624 640232421 /nfs/dbraw/zinc/23/24/21/640232421.db2.gz YTEQJMKEWJJOMQ-HIFRSBDPSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1cc(C)nc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000931477624 640232427 /nfs/dbraw/zinc/23/24/27/640232427.db2.gz YTEQJMKEWJJOMQ-HIFRSBDPSA-N 1 2 243.354 2.823 20 30 BFEDLO COc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1C ZINC000932152373 640443139 /nfs/dbraw/zinc/44/31/39/640443139.db2.gz PRGLBPHTLJXTQA-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1C ZINC000932152373 640443142 /nfs/dbraw/zinc/44/31/42/640443142.db2.gz PRGLBPHTLJXTQA-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC#N ZINC000932279011 640469999 /nfs/dbraw/zinc/46/99/99/640469999.db2.gz UJSIOVDQWWOCSG-GXTWGEPZSA-N 1 2 214.312 2.778 20 30 BFEDLO C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC#N ZINC000932279011 640470005 /nfs/dbraw/zinc/47/00/05/640470005.db2.gz UJSIOVDQWWOCSG-GXTWGEPZSA-N 1 2 214.312 2.778 20 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C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000934511422 641179022 /nfs/dbraw/zinc/17/90/22/641179022.db2.gz NHHHHSCIURKAGZ-GFCCVEGCSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)n1 ZINC000934512417 641180741 /nfs/dbraw/zinc/18/07/41/641180741.db2.gz MLVPATDRXJBDFR-LBPRGKRZSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)n1 ZINC000934512417 641180748 /nfs/dbraw/zinc/18/07/48/641180748.db2.gz MLVPATDRXJBDFR-LBPRGKRZSA-N 1 2 234.730 2.723 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173853472 641207090 /nfs/dbraw/zinc/20/70/90/641207090.db2.gz VTHAEUIYFFYBBF-UHFFFAOYSA-N 1 2 229.751 2.774 20 30 BFEDLO C=C(Cl)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000173853472 641207096 /nfs/dbraw/zinc/20/70/96/641207096.db2.gz VTHAEUIYFFYBBF-UHFFFAOYSA-N 1 2 229.751 2.774 20 30 BFEDLO C=C[C@H](CC)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000935755535 641475870 /nfs/dbraw/zinc/47/58/70/641475870.db2.gz HJWQYVAFGDKTOS-LLVKDONJSA-N 1 2 243.310 2.875 20 30 BFEDLO 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N#C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000595339360 960820373 /nfs/dbraw/zinc/82/03/73/960820373.db2.gz NNCDXQHMLPMQHR-QLFBSQMISA-N 1 2 226.323 2.983 20 30 BFEDLO N#CC1([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CCCCCC1 ZINC001167898768 961540048 /nfs/dbraw/zinc/54/00/48/961540048.db2.gz USWCFPNBOXYNLH-CLLJXQQHSA-N 1 2 218.344 2.991 20 30 BFEDLO N#C[C@H](Oc1cc[nH+]cc1)c1cccc(F)c1 ZINC001225295920 962064669 /nfs/dbraw/zinc/06/46/69/962064669.db2.gz OYFQPGUNRZKSJK-ZDUSSCGKSA-N 1 2 228.226 2.864 20 30 BFEDLO C=C(C)CNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC001155661737 963147184 /nfs/dbraw/zinc/14/71/84/963147184.db2.gz GVIAVLAAOWHATN-LBPRGKRZSA-N 1 2 246.358 2.701 20 30 BFEDLO C=C(C)CNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC001155661737 963147198 /nfs/dbraw/zinc/14/71/98/963147198.db2.gz GVIAVLAAOWHATN-LBPRGKRZSA-N 1 2 246.358 2.701 20 30 BFEDLO CC1(Nc2cc(CC#N)cc[nH+]2)CCC1 ZINC001156073379 963251477 /nfs/dbraw/zinc/25/14/77/963251477.db2.gz DZRAUAQTEUHUBR-UHFFFAOYSA-N 1 2 201.273 2.502 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)cc(C)c1O ZINC000896506296 963468987 /nfs/dbraw/zinc/46/89/87/963468987.db2.gz RMPFKDNTFSRUML-ZDUSSCGKSA-N 1 2 244.338 2.745 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)cc(C)c1O ZINC000896506296 963468992 /nfs/dbraw/zinc/46/89/92/963468992.db2.gz RMPFKDNTFSRUML-ZDUSSCGKSA-N 1 2 244.338 2.745 20 30 BFEDLO N#Cc1ncccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213027291 964439881 /nfs/dbraw/zinc/43/98/81/964439881.db2.gz SBXMZZOPPSORLM-UHFFFAOYSA-N 1 2 235.250 2.573 20 30 BFEDLO CCC1(Nc2cc(CC#N)cc[nH+]2)CCC1 ZINC001161562310 964642289 /nfs/dbraw/zinc/64/22/89/964642289.db2.gz AVYVKSQHECTHEE-UHFFFAOYSA-N 1 2 215.300 2.892 20 30 BFEDLO N#CC1(c2cc[nH+]c(NC3CC(F)C3)c2)CC1 ZINC001162209523 964870903 /nfs/dbraw/zinc/87/09/03/964870903.db2.gz IYMTWMJCPPVTIG-UHFFFAOYSA-N 1 2 231.274 2.549 20 30 BFEDLO Cc1cc([NH2+]CC2(C#N)CCC2)ccc1N ZINC001162411833 964969732 /nfs/dbraw/zinc/96/97/32/964969732.db2.gz GDBUWNKTJZGEOQ-UHFFFAOYSA-N 1 2 215.300 2.683 20 30 BFEDLO C#CC1(Nc2cc(CC#N)cc[nH+]2)CCCCC1 ZINC001162479471 964994174 /nfs/dbraw/zinc/99/41/74/964994174.db2.gz HBGUSNQUAGOMCM-UHFFFAOYSA-N 1 2 239.322 2.896 20 30 BFEDLO Cc1cc2cc(NCCCCC#N)[nH+]cc2[nH]1 ZINC001168427115 965451865 /nfs/dbraw/zinc/45/18/65/965451865.db2.gz HMNQNYGSHCOJEC-UHFFFAOYSA-N 1 2 228.299 2.977 20 30 BFEDLO C#Cc1ccccc1Nc1ccc(NC)[nH+]c1 ZINC001203460916 966657279 /nfs/dbraw/zinc/65/72/79/966657279.db2.gz ZAPIHTOOZGEVMX-UHFFFAOYSA-N 1 2 223.279 2.848 20 30 BFEDLO CNc1ccc(Nc2cc(F)ccc2C#N)c[nH+]1 ZINC001203456554 966825907 /nfs/dbraw/zinc/82/59/07/966825907.db2.gz JQLNORGYWKXHHZ-UHFFFAOYSA-N 1 2 242.257 2.878 20 30 BFEDLO C=CC[NH+](CC=C)Cc1c(OC)cccc1OC ZINC001204252622 966947254 /nfs/dbraw/zinc/94/72/54/966947254.db2.gz OGWXTWNEFXXMLB-UHFFFAOYSA-N 1 2 247.338 2.878 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1F ZINC001204472182 967004001 /nfs/dbraw/zinc/00/40/01/967004001.db2.gz IVAIWTMCJWOOIS-UHFFFAOYSA-N 1 2 245.219 2.910 20 30 BFEDLO Cc1c(F)cccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001204514550 967019199 /nfs/dbraw/zinc/01/91/99/967019199.db2.gz ZGRUBDWKVGPMKF-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1c(F)cccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001204514550 967019209 /nfs/dbraw/zinc/01/92/09/967019209.db2.gz ZGRUBDWKVGPMKF-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO COc1cccc(-c2ccc3[nH+]ccn3c2)c1C#N ZINC001240219364 967430084 /nfs/dbraw/zinc/43/00/84/967430084.db2.gz IKPBJNKLTQUPGP-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001205455232 967630741 /nfs/dbraw/zinc/63/07/41/967630741.db2.gz BDHWYQQAGSPLEV-BXKDBHETSA-N 1 2 236.265 2.630 20 30 BFEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001205455232 967630749 /nfs/dbraw/zinc/63/07/49/967630749.db2.gz BDHWYQQAGSPLEV-BXKDBHETSA-N 1 2 236.265 2.630 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ccncc1C ZINC001205851046 967855193 /nfs/dbraw/zinc/85/51/93/967855193.db2.gz UIUNTCGQRHEQTL-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ccncc1C ZINC001205851046 967855197 /nfs/dbraw/zinc/85/51/97/967855197.db2.gz UIUNTCGQRHEQTL-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO C=C(C)CNc1[nH+]cccc1/C=C/C(=O)OCC ZINC001155655566 969045428 /nfs/dbraw/zinc/04/54/28/969045428.db2.gz KYZQYGDKPYBLDU-BQYQJAHWSA-N 1 2 246.310 2.646 20 30 BFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC(N(C)C)C2)CC1 ZINC001208170214 969104102 /nfs/dbraw/zinc/10/41/02/969104102.db2.gz FROHUCFAFHIULN-CQSZACIVSA-N 1 2 234.387 2.535 20 30 BFEDLO C=CCCCCCC[C@@H](O)CNc1cc[nH+]nc1 ZINC001253231746 969120383 /nfs/dbraw/zinc/12/03/83/969120383.db2.gz AXARQJQAVDLFCA-CQSZACIVSA-N 1 2 249.358 2.776 20 30 BFEDLO C=CCCCCCC[N@@H+]1Cc2cnn(C)c2C1 ZINC001209435456 969507602 /nfs/dbraw/zinc/50/76/02/969507602.db2.gz CXXSORVAGOITOX-UHFFFAOYSA-N 1 2 233.359 2.872 20 30 BFEDLO C=CCCCCCC[N@H+]1Cc2cnn(C)c2C1 ZINC001209435456 969507609 /nfs/dbraw/zinc/50/76/09/969507609.db2.gz CXXSORVAGOITOX-UHFFFAOYSA-N 1 2 233.359 2.872 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ccnc(OC)c1 ZINC001209638378 969570311 /nfs/dbraw/zinc/57/03/11/969570311.db2.gz CACUHZAGCQUVLS-UHFFFAOYSA-N 1 2 247.342 2.606 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ccnc(OC)c1 ZINC001209638378 969570317 /nfs/dbraw/zinc/57/03/17/969570317.db2.gz CACUHZAGCQUVLS-UHFFFAOYSA-N 1 2 247.342 2.606 20 30 BFEDLO CC[C@](C)(C#N)[NH2+]C1CCC2(CC2)CC1 ZINC001254436123 969623716 /nfs/dbraw/zinc/62/37/16/969623716.db2.gz OTONXLGDWPEOLI-GFCCVEGCSA-N 1 2 206.333 2.991 20 30 BFEDLO C#Cc1cc(Nc2cc(OC)ccc2C)cc[nH+]1 ZINC001209838109 969650587 /nfs/dbraw/zinc/65/05/87/969650587.db2.gz PZNUCZBFFFGWPZ-UHFFFAOYSA-N 1 2 238.290 2.545 20 30 BFEDLO C#Cc1cc(Nc2ccccc2C=C)cc[nH+]1 ZINC001209939900 969695469 /nfs/dbraw/zinc/69/54/69/969695469.db2.gz VSBOVZQRSSHGCB-UHFFFAOYSA-N 1 2 220.275 2.871 20 30 BFEDLO N#Cc1cnc(Nc2ccc3c[nH+]ccc3c2)cn1 ZINC001210045258 969775754 /nfs/dbraw/zinc/77/57/54/969775754.db2.gz ZVVQREGNQYNXBS-UHFFFAOYSA-N 1 2 247.261 2.640 20 30 BFEDLO C#C[C@](C)(CC)Nc1ccn2cc[nH+]c2c1 ZINC001169698284 969814432 /nfs/dbraw/zinc/81/44/32/969814432.db2.gz SJBYOBKMQMDCIS-CYBMUJFWSA-N 1 2 213.284 2.548 20 30 BFEDLO Cc1oc(Nc2c[nH+]c(C)c(N)c2)c(C#N)c1C ZINC001210286621 969853093 /nfs/dbraw/zinc/85/30/93/969853093.db2.gz AXQJSKCGOHILBW-UHFFFAOYSA-N 1 2 242.282 2.797 20 30 BFEDLO Cc1cc(C#N)c(Nc2c[nH+]c(C)c(N)c2)s1 ZINC001210287455 969853426 /nfs/dbraw/zinc/85/34/26/969853426.db2.gz UVUOKNMKDGGXJG-UHFFFAOYSA-N 1 2 244.323 2.957 20 30 BFEDLO CC[C@@H](CC#N)[N@@H+]1CCc2cccc(OC)c2C1 ZINC001255165105 969977109 /nfs/dbraw/zinc/97/71/09/969977109.db2.gz SZQSLYNOHYCQBJ-ZDUSSCGKSA-N 1 2 244.338 2.746 20 30 BFEDLO CC[C@@H](CC#N)[N@H+]1CCc2cccc(OC)c2C1 ZINC001255165105 969977117 /nfs/dbraw/zinc/97/71/17/969977117.db2.gz SZQSLYNOHYCQBJ-ZDUSSCGKSA-N 1 2 244.338 2.746 20 30 BFEDLO CC[C@@H](CC#N)[N@H+](C)Cc1cccnc1C ZINC001255180099 969998247 /nfs/dbraw/zinc/99/82/47/969998247.db2.gz XJMPGTWCGLLWAA-ZDUSSCGKSA-N 1 2 217.316 2.514 20 30 BFEDLO CC[C@@H](CC#N)[N@@H+](C)Cc1cccnc1C ZINC001255180099 969998254 /nfs/dbraw/zinc/99/82/54/969998254.db2.gz XJMPGTWCGLLWAA-ZDUSSCGKSA-N 1 2 217.316 2.514 20 30 BFEDLO C[C@@H]1CC(=O)C=C(Nc2cn3ccccc3[nH+]2)C1 ZINC001210772028 970023464 /nfs/dbraw/zinc/02/34/64/970023464.db2.gz VTADDDGIFDAQPS-JTQLQIEISA-N 1 2 241.294 2.629 20 30 BFEDLO N#Cc1ccc2cc[nH+]c(N3CC4CC(C4)C3)c2c1 ZINC001156892454 970025127 /nfs/dbraw/zinc/02/51/27/970025127.db2.gz FLVOZOWBCFVDOH-UHFFFAOYSA-N 1 2 249.317 2.953 20 30 BFEDLO CC(C)Cn1c[nH+]c(NC2=CC(=O)C[C@H](C)C2)c1 ZINC001210771253 970026212 /nfs/dbraw/zinc/02/62/12/970026212.db2.gz MDRKLSVOISEMGN-LLVKDONJSA-N 1 2 247.342 2.834 20 30 BFEDLO CCCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001157357233 970209197 /nfs/dbraw/zinc/20/91/97/970209197.db2.gz AHZIRJXELNLMFY-UHFFFAOYSA-N 1 2 211.268 2.928 20 30 BFEDLO CCC[C@@](C)(C#N)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255533999 970296471 /nfs/dbraw/zinc/29/64/71/970296471.db2.gz OIOZVYAGXJRWJO-AAEUAGOBSA-N 1 2 224.348 2.616 20 30 BFEDLO C#CCN(CC#C)c1[nH+]ccc2c(C)cccc21 ZINC001157560427 970433900 /nfs/dbraw/zinc/43/39/00/970433900.db2.gz ADVNHAHHUIWNLB-UHFFFAOYSA-N 1 2 234.302 2.616 20 30 BFEDLO CC[C@H](C#N)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255697979 970458704 /nfs/dbraw/zinc/45/87/04/970458704.db2.gz VDNSHDWZRGRQMR-OPRDCNLKSA-N 1 2 234.265 2.999 20 30 BFEDLO CC[C@H](C#N)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255697974 970458768 /nfs/dbraw/zinc/45/87/68/970458768.db2.gz VDNSHDWZRGRQMR-AEJSXWLSSA-N 1 2 234.265 2.999 20 30 BFEDLO C[N@H+](CC#N)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255717045 970465821 /nfs/dbraw/zinc/46/58/21/970465821.db2.gz JWEQLQXCJXUDNR-BDAKNGLRSA-N 1 2 220.238 2.563 20 30 BFEDLO C[N@@H+](CC#N)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255717045 970465823 /nfs/dbraw/zinc/46/58/23/970465823.db2.gz JWEQLQXCJXUDNR-BDAKNGLRSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@H](C#N)[N@H+](C)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255724303 970466834 /nfs/dbraw/zinc/46/68/34/970466834.db2.gz RRKVQXUPDXMYGT-BBBLOLIVSA-N 1 2 234.265 2.951 20 30 BFEDLO C[C@H](C#N)[N@@H+](C)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255724303 970466839 /nfs/dbraw/zinc/46/68/39/970466839.db2.gz RRKVQXUPDXMYGT-BBBLOLIVSA-N 1 2 234.265 2.951 20 30 BFEDLO C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@H](C#N)C1 ZINC001255851805 970516286 /nfs/dbraw/zinc/51/62/86/970516286.db2.gz WWDDIZMGEDRCAT-VXGBXAGGSA-N 1 2 232.302 2.602 20 30 BFEDLO C[C@H](Cc1ccccc1F)[N@H+]1CC[C@H](C#N)C1 ZINC001255851805 970516292 /nfs/dbraw/zinc/51/62/92/970516292.db2.gz WWDDIZMGEDRCAT-VXGBXAGGSA-N 1 2 232.302 2.602 20 30 BFEDLO C[C@H](Cc1ccccc1F)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001255851353 970516685 /nfs/dbraw/zinc/51/66/85/970516685.db2.gz MXOLFHKUEXPHMC-OLZOCXBDSA-N 1 2 246.329 2.992 20 30 BFEDLO C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@H](C#N)C1 ZINC001255851353 970516700 /nfs/dbraw/zinc/51/67/00/970516700.db2.gz MXOLFHKUEXPHMC-OLZOCXBDSA-N 1 2 246.329 2.992 20 30 BFEDLO CC[C@@H]1C[C@@H]([NH2+]C(C#N)(CC)CC)CCO1 ZINC001170190767 970565246 /nfs/dbraw/zinc/56/52/46/970565246.db2.gz HDVZEYRGUOJWIO-NWDGAFQWSA-N 1 2 224.348 2.616 20 30 BFEDLO CC(C)(S)CNc1[nH+]cccc1-n1cccc1 ZINC001170302671 970693956 /nfs/dbraw/zinc/69/39/56/970693956.db2.gz RXYBTPJPZDJNOU-UHFFFAOYSA-N 1 2 247.367 2.993 20 30 BFEDLO CC(C)Oc1cc(NCC(C)(C)S)cc[nH+]1 ZINC001170305978 970701866 /nfs/dbraw/zinc/70/18/66/970701866.db2.gz JTCLFRXVNWFFQK-UHFFFAOYSA-N 1 2 240.372 2.989 20 30 BFEDLO Cn1c[nH+]cc1CO[C@H](CC#N)c1ccccc1 ZINC001222594113 972591569 /nfs/dbraw/zinc/59/15/69/972591569.db2.gz CJWKHKSVSPKRAY-CQSZACIVSA-N 1 2 241.294 2.592 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc2cc[nH]c2n1 ZINC001144179835 972652820 /nfs/dbraw/zinc/65/28/20/972652820.db2.gz VPWHXEINABWDOB-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc2cc[nH]c2n1 ZINC001144179835 972652828 /nfs/dbraw/zinc/65/28/28/972652828.db2.gz VPWHXEINABWDOB-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO Cc1cc(CO[C@@H]2CC[C@@H](C#N)C2)cc(C)[nH+]1 ZINC001223421296 973053302 /nfs/dbraw/zinc/05/33/02/973053302.db2.gz PUQRRZDKSLHPIC-TZMCWYRMSA-N 1 2 230.311 2.907 20 30 BFEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171805888 974196198 /nfs/dbraw/zinc/19/61/98/974196198.db2.gz SYNZSGYUQMQICQ-DGCLKSJQSA-N 1 2 244.313 2.528 20 30 BFEDLO N#C[C@H]1CCC[N@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171805888 974196206 /nfs/dbraw/zinc/19/62/06/974196206.db2.gz SYNZSGYUQMQICQ-DGCLKSJQSA-N 1 2 244.313 2.528 20 30 BFEDLO C[C@H](C#C[Si](C)(C)C)Oc1cc[nH+]cc1 ZINC001225295634 974371199 /nfs/dbraw/zinc/37/11/99/974371199.db2.gz MWTVOBXLQVVNLY-LLVKDONJSA-N 1 2 219.360 2.730 20 30 BFEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223135 974455312 /nfs/dbraw/zinc/45/53/12/974455312.db2.gz PEEQKHQNNCZOLZ-GSPSYOTPSA-N 1 2 236.359 2.614 20 30 BFEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H](C)CCCC#N ZINC001172478893 974777384 /nfs/dbraw/zinc/77/73/84/974777384.db2.gz ILBOFRUISRKNCF-RYUDHWBXSA-N 1 2 207.321 2.597 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@@H](C)CCCC#N ZINC001172493929 974841607 /nfs/dbraw/zinc/84/16/07/974841607.db2.gz WTFGBWIHWGZVSN-NSHDSACASA-N 1 2 207.321 2.741 20 30 BFEDLO C[C@@H](CCCC#N)[NH+]1CC(F)(C2CC2)C1 ZINC001172493850 974842118 /nfs/dbraw/zinc/84/21/18/974842118.db2.gz OOCFYIXFBQAAGI-JTQLQIEISA-N 1 2 210.296 2.503 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@H](C)CCCC#N ZINC001172493925 974842609 /nfs/dbraw/zinc/84/26/09/974842609.db2.gz WTFGBWIHWGZVSN-LLVKDONJSA-N 1 2 207.321 2.741 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001172927813 974976571 /nfs/dbraw/zinc/97/65/71/974976571.db2.gz GVBGUEYEBVYWDE-NEPJUHHUSA-N 1 2 224.348 2.616 20 30 BFEDLO CC1(C#N)C[NH+](C2CCC3(CCOCC3)CC2)C1 ZINC001173043382 975014062 /nfs/dbraw/zinc/01/40/62/975014062.db2.gz IZHRRVBJIFZIHI-UHFFFAOYSA-N 1 2 248.370 2.571 20 30 BFEDLO CCCOC1CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001173102962 975022803 /nfs/dbraw/zinc/02/28/03/975022803.db2.gz UWMDYVKVSBNSPV-PNESKVBLSA-N 1 2 224.348 2.568 20 30 BFEDLO CCCOC1CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001173102962 975022810 /nfs/dbraw/zinc/02/28/10/975022810.db2.gz UWMDYVKVSBNSPV-PNESKVBLSA-N 1 2 224.348 2.568 20 30 BFEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC(CC#N)CC1 ZINC001173327495 975276681 /nfs/dbraw/zinc/27/66/81/975276681.db2.gz CUBBAPRLAPHCQO-RUXDESIVSA-N 1 2 233.359 2.987 20 30 BFEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591087 975442556 /nfs/dbraw/zinc/44/25/56/975442556.db2.gz RYHRDBNCQQPOQV-MOKVOYLWSA-N 1 2 233.359 2.987 20 30 BFEDLO C#Cc1cc(Nc2ccc(C)cc2)cc[nH+]1 ZINC001173800125 975655373 /nfs/dbraw/zinc/65/53/73/975655373.db2.gz BSRICVMQAUBSSS-UHFFFAOYSA-N 1 2 208.264 2.537 20 30 BFEDLO C#Cc1cc(Nc2ccc(OCC)cc2)cc[nH+]1 ZINC001173852634 975757602 /nfs/dbraw/zinc/75/76/02/975757602.db2.gz JLTUYHFMZTXADX-UHFFFAOYSA-N 1 2 238.290 2.627 20 30 BFEDLO CC[C@@H]1CCCC[C@H]1C=[NH+]n1nnc(C)c1C ZINC001333641879 975918146 /nfs/dbraw/zinc/91/81/46/975918146.db2.gz DNWDNNYXACQLPK-OLZOCXBDSA-N 1 2 234.347 2.945 20 30 BFEDLO C[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C[C@H]1F ZINC001333753856 976068957 /nfs/dbraw/zinc/06/89/57/976068957.db2.gz ZYDRBACEBFCNEZ-BXKDBHETSA-N 1 2 238.331 2.800 20 30 BFEDLO C[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C[C@H]1F ZINC001333753856 976068973 /nfs/dbraw/zinc/06/89/73/976068973.db2.gz ZYDRBACEBFCNEZ-BXKDBHETSA-N 1 2 238.331 2.800 20 30 BFEDLO C=C[C@H](C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228327376 976122096 /nfs/dbraw/zinc/12/20/96/976122096.db2.gz QNRZVORLFUBFQW-QMMMGPOBSA-N 1 2 202.257 2.825 20 30 BFEDLO C#Cc1cc(Nc2cnc3ccccc3c2)cc[nH+]1 ZINC001174001235 976170293 /nfs/dbraw/zinc/17/02/93/976170293.db2.gz NNNWEJDEDOSXKK-UHFFFAOYSA-N 1 2 245.285 2.777 20 30 BFEDLO CN(C)c1ccc(Nc2csc(C#N)c2)c[nH+]1 ZINC001175341302 977362601 /nfs/dbraw/zinc/36/26/01/977362601.db2.gz GXDUAEGDYHVTKT-UHFFFAOYSA-N 1 2 244.323 2.824 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1nc(C)ccc1O ZINC001231671884 977681806 /nfs/dbraw/zinc/68/18/06/977681806.db2.gz CDSFTJUXAMNYRO-UHFFFAOYSA-N 1 2 247.342 2.611 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1nc(C)ccc1O ZINC001231671884 977681819 /nfs/dbraw/zinc/68/18/19/977681819.db2.gz CDSFTJUXAMNYRO-UHFFFAOYSA-N 1 2 247.342 2.611 20 30 BFEDLO CSc1ccccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001231785630 977750293 /nfs/dbraw/zinc/75/02/93/977750293.db2.gz YERBGKXFPZGWRW-NSHDSACASA-N 1 2 232.352 2.754 20 30 BFEDLO CSc1ccccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001231785630 977750307 /nfs/dbraw/zinc/75/03/07/977750307.db2.gz YERBGKXFPZGWRW-NSHDSACASA-N 1 2 232.352 2.754 20 30 BFEDLO C#Cc1cc(Nc2ccc(C)c(F)c2F)cc[nH+]1 ZINC001176091303 977892994 /nfs/dbraw/zinc/89/29/94/977892994.db2.gz LBMGFXULNUDHDM-UHFFFAOYSA-N 1 2 244.244 2.815 20 30 BFEDLO COc1cc[nH+]cc1Nc1oc(C)c(C)c1C#N ZINC001176117861 977947898 /nfs/dbraw/zinc/94/78/98/977947898.db2.gz ARUXZQDNGBUMHK-UHFFFAOYSA-N 1 2 243.266 2.915 20 30 BFEDLO COc1cc[nH+]cc1Nc1cccc(C#N)c1 ZINC001176121488 977951531 /nfs/dbraw/zinc/95/15/31/977951531.db2.gz JZIYMXPBAAMCMI-UHFFFAOYSA-N 1 2 225.251 2.705 20 30 BFEDLO Cc1nnn([NH+]=C[C@H]2C(C)=CCC[C@@H]2C)c1C ZINC001336983483 978106606 /nfs/dbraw/zinc/10/66/06/978106606.db2.gz XTRLRXQXEOVGGK-GWCFXTLKSA-N 1 2 232.331 2.721 20 30 BFEDLO C#CC[C@H]1CCCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337202969 978213689 /nfs/dbraw/zinc/21/36/89/978213689.db2.gz DCUPAATWSFPIPI-LBPRGKRZSA-N 1 2 232.302 2.769 20 30 BFEDLO N#Cc1ccc(O)c(C[NH+]2CCCCCC2)c1 ZINC001232673416 978230687 /nfs/dbraw/zinc/23/06/87/978230687.db2.gz FSRHQUAIZLBJOU-UHFFFAOYSA-N 1 2 230.311 2.640 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(C)c(O)c1 ZINC001233233513 978501518 /nfs/dbraw/zinc/50/15/18/978501518.db2.gz IXVRMGWTLJDDSB-UHFFFAOYSA-N 1 2 232.327 2.826 20 30 BFEDLO Cc1cc(F)cc(N2CCC(C)(C#N)CC2)[nH+]1 ZINC001339649258 978887073 /nfs/dbraw/zinc/88/70/73/978887073.db2.gz NKSPAABHRVKWMF-UHFFFAOYSA-N 1 2 233.290 2.659 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(F)cccc1OCC ZINC001181297001 979033690 /nfs/dbraw/zinc/03/36/90/979033690.db2.gz ISCSGTLTHJHPKY-LLVKDONJSA-N 1 2 235.302 2.678 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1c(F)cccc1OCC ZINC001181297001 979033693 /nfs/dbraw/zinc/03/36/93/979033693.db2.gz ISCSGTLTHJHPKY-LLVKDONJSA-N 1 2 235.302 2.678 20 30 BFEDLO C#Cc1ccc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001203370086 979468261 /nfs/dbraw/zinc/46/82/61/979468261.db2.gz WLPKEOIMPCEATE-UHFFFAOYSA-N 1 2 223.279 2.818 20 30 BFEDLO N#CCCOc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236314534 979526286 /nfs/dbraw/zinc/52/62/86/979526286.db2.gz AIVLUPBDMAMITD-UHFFFAOYSA-N 1 2 239.278 2.623 20 30 BFEDLO C#CC[N@@H+](C)Cc1cccc(C)c1Cl ZINC001236852739 979761537 /nfs/dbraw/zinc/76/15/37/979761537.db2.gz DQNBCNWTWZOAJU-UHFFFAOYSA-N 1 2 207.704 2.713 20 30 BFEDLO C#CC[N@H+](C)Cc1cccc(C)c1Cl ZINC001236852739 979761543 /nfs/dbraw/zinc/76/15/43/979761543.db2.gz DQNBCNWTWZOAJU-UHFFFAOYSA-N 1 2 207.704 2.713 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC001237423249 979889373 /nfs/dbraw/zinc/88/93/73/979889373.db2.gz PKKBGQRTEPOWTA-UHFFFAOYSA-N 1 2 243.285 2.719 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC001237423249 979889379 /nfs/dbraw/zinc/88/93/79/979889379.db2.gz PKKBGQRTEPOWTA-UHFFFAOYSA-N 1 2 243.285 2.719 20 30 BFEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(F)cc1F ZINC001237536885 979932596 /nfs/dbraw/zinc/93/25/96/979932596.db2.gz NVOFBMRMNRRHAU-OTYXRUKQSA-N 1 2 248.276 2.821 20 30 BFEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(F)cc1F ZINC001237536885 979932599 /nfs/dbraw/zinc/93/25/99/979932599.db2.gz NVOFBMRMNRRHAU-OTYXRUKQSA-N 1 2 248.276 2.821 20 30 BFEDLO C=CCN(CC=C)c1cc(CC)[nH+]c(CC)n1 ZINC001184617947 980113798 /nfs/dbraw/zinc/11/37/98/980113798.db2.gz WLDDXWMBFYTIKC-UHFFFAOYSA-N 1 2 231.343 2.780 20 30 BFEDLO C=CC[N@@H+](C)Cc1c(F)cc(C)cc1OC ZINC001238592954 980295290 /nfs/dbraw/zinc/29/52/90/980295290.db2.gz YKHDSIQIEBZMGN-UHFFFAOYSA-N 1 2 223.291 2.761 20 30 BFEDLO C=CC[N@H+](C)Cc1c(F)cc(C)cc1OC ZINC001238592954 980295303 /nfs/dbraw/zinc/29/53/03/980295303.db2.gz YKHDSIQIEBZMGN-UHFFFAOYSA-N 1 2 223.291 2.761 20 30 BFEDLO CCOc1ccc(C)c(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001238709306 980314661 /nfs/dbraw/zinc/31/46/61/980314661.db2.gz UVKVJIZDUNLQTL-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO CCOc1ccc(C)c(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001238709306 980314667 /nfs/dbraw/zinc/31/46/67/980314667.db2.gz UVKVJIZDUNLQTL-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO C=CC[N@@H+](C)Cc1cc(OC(C)C)ncc1F ZINC001238802482 980326189 /nfs/dbraw/zinc/32/61/89/980326189.db2.gz QFIZBLVVOMYKNF-UHFFFAOYSA-N 1 2 238.306 2.626 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(OC(C)C)ncc1F ZINC001238802482 980326193 /nfs/dbraw/zinc/32/61/93/980326193.db2.gz QFIZBLVVOMYKNF-UHFFFAOYSA-N 1 2 238.306 2.626 20 30 BFEDLO Cc1c[nH+]c(C)c(Nc2cncc(C#N)c2)c1 ZINC001203655171 980487043 /nfs/dbraw/zinc/48/70/43/980487043.db2.gz XIFOGHVOEAUSST-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO Cc1ccc(-c2ccc3[nH+]ccn3c2)nc1C#N ZINC001240214213 981161415 /nfs/dbraw/zinc/16/14/15/981161415.db2.gz LLYGVAQRPLTVLA-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(C(C)C)no1 ZINC001348448911 981366632 /nfs/dbraw/zinc/36/66/32/981366632.db2.gz DUXPJFKSFKQLGF-LLVKDONJSA-N 1 2 247.342 2.599 20 30 BFEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(C(C)C)no1 ZINC001348448911 981366638 /nfs/dbraw/zinc/36/66/38/981366638.db2.gz DUXPJFKSFKQLGF-LLVKDONJSA-N 1 2 247.342 2.599 20 30 BFEDLO N#CCc1c(F)cccc1-c1cc[nH+]c(N)c1 ZINC001241175873 982328450 /nfs/dbraw/zinc/32/84/50/982328450.db2.gz OYSLWHUCHRQTOC-UHFFFAOYSA-N 1 2 227.242 2.536 20 30 BFEDLO Cc1c(-c2ccnc(C#N)c2)ccc2[nH+]ccn21 ZINC001241199821 982348574 /nfs/dbraw/zinc/34/85/74/982348574.db2.gz AZSBMZLLEOQIQS-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO N#Cc1cc(F)c(Nc2ccc(N)[nH+]c2)c(F)c1 ZINC001201285511 983161857 /nfs/dbraw/zinc/16/18/57/983161857.db2.gz JSDPZCOHKHNSSC-UHFFFAOYSA-N 1 2 246.220 2.557 20 30 BFEDLO CC(C)(C#N)c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242018019 983216711 /nfs/dbraw/zinc/21/67/11/983216711.db2.gz AOBSVVBQFQKFGG-UHFFFAOYSA-N 1 2 211.268 2.878 20 30 BFEDLO Cc1cc(C)c(C#N)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242071057 983304874 /nfs/dbraw/zinc/30/48/74/983304874.db2.gz REQCIAOECMVWQG-UHFFFAOYSA-N 1 2 238.294 2.523 20 30 BFEDLO C[N@H+](CCC#N)Cc1c[nH]c2c1cccc2F ZINC001137049755 983748673 /nfs/dbraw/zinc/74/86/73/983748673.db2.gz ABGLUQZOHOOBDL-UHFFFAOYSA-N 1 2 231.274 2.652 20 30 BFEDLO C[N@@H+](CCC#N)Cc1c[nH]c2c1cccc2F ZINC001137049755 983748676 /nfs/dbraw/zinc/74/86/76/983748676.db2.gz ABGLUQZOHOOBDL-UHFFFAOYSA-N 1 2 231.274 2.652 20 30 BFEDLO Cc1ccc(-c2cc(N(C)C)cc[nH+]2)c(C#N)c1 ZINC001242589323 983904917 /nfs/dbraw/zinc/90/49/17/983904917.db2.gz DZBCACMSVHBCIG-UHFFFAOYSA-N 1 2 237.306 2.995 20 30 BFEDLO CN(C)c1cc[nH+]c(-c2ccccc2C#N)c1 ZINC001242713763 984064888 /nfs/dbraw/zinc/06/48/88/984064888.db2.gz JKHZANVBCYCFKA-UHFFFAOYSA-N 1 2 223.279 2.686 20 30 BFEDLO C[C@H]1CC(=O)C=C(c2cccn3cc[nH+]c23)C1 ZINC001242738931 984086050 /nfs/dbraw/zinc/08/60/50/984086050.db2.gz BCDFPNKTXJSIMC-SNVBAGLBSA-N 1 2 226.279 2.717 20 30 BFEDLO C[C@H]1CC(=O)C=C(c2cc[nH+]c(N(C)C)c2)C1 ZINC001242741321 984090756 /nfs/dbraw/zinc/09/07/56/984090756.db2.gz OGBWFLMRPSHLCJ-SNVBAGLBSA-N 1 2 230.311 2.530 20 30 BFEDLO C[C@@H]1CC(=O)C=C(c2c[nH+]c3c(c2)CCCN3)C1 ZINC001242742946 984095714 /nfs/dbraw/zinc/09/57/14/984095714.db2.gz DZQYXMIMJSSHAY-JTQLQIEISA-N 1 2 242.322 2.518 20 30 BFEDLO Cc1cc(-c2ccc(N)[nH+]c2)ccc1C#N ZINC001242767757 984150886 /nfs/dbraw/zinc/15/08/86/984150886.db2.gz CHLWUJXKWMMMEI-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO Cn1c[nH+]cc1-c1ccc(C2(C#N)CC2)cc1 ZINC001243068818 984489205 /nfs/dbraw/zinc/48/92/05/984489205.db2.gz HLBAZDIONLIYRC-UHFFFAOYSA-N 1 2 223.279 2.642 20 30 BFEDLO Cn1c[nH+]cc1-c1ccc2c(C#N)nccc2c1 ZINC001243069909 984496152 /nfs/dbraw/zinc/49/61/52/984496152.db2.gz NOTXDRYODKZWQJ-UHFFFAOYSA-N 1 2 234.262 2.507 20 30 BFEDLO CCC1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001256870566 984845560 /nfs/dbraw/zinc/84/55/60/984845560.db2.gz JBWLZZDYYAGGKU-UHFFFAOYSA-N 1 2 206.333 2.801 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC000932147174 985012738 /nfs/dbraw/zinc/01/27/38/985012738.db2.gz AWRFZRCSFGGQKO-GFCCVEGCSA-N 1 2 232.302 2.892 20 30 BFEDLO N#C[C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000932147174 985012752 /nfs/dbraw/zinc/01/27/52/985012752.db2.gz AWRFZRCSFGGQKO-GFCCVEGCSA-N 1 2 232.302 2.892 20 30 BFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932156438 985013768 /nfs/dbraw/zinc/01/37/68/985013768.db2.gz DVBUBKQHBNFNPE-JSGCOSHPSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000932156438 985013779 /nfs/dbraw/zinc/01/37/79/985013779.db2.gz DVBUBKQHBNFNPE-JSGCOSHPSA-N 1 2 239.322 2.855 20 30 BFEDLO N#Cc1c[nH]c2cc(-c3ccc[nH+]c3N)ccc12 ZINC001243475957 985030654 /nfs/dbraw/zinc/03/06/54/985030654.db2.gz NEQSCKPTVDMBEM-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO N#Cc1cc2c(cccc2-c2ccc[nH+]c2N)[nH]1 ZINC001243475212 985031851 /nfs/dbraw/zinc/03/18/51/985031851.db2.gz FWTBHDQVNSHXNO-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO N#CCc1cc(F)cc(-c2ccc[nH+]c2N)c1 ZINC001243476970 985040545 /nfs/dbraw/zinc/04/05/45/985040545.db2.gz GZDXZCFJXLGRRW-UHFFFAOYSA-N 1 2 227.242 2.536 20 30 BFEDLO C#CCCCCC[N@H+]1CCCC(F)(F)C1 ZINC000686685779 985204926 /nfs/dbraw/zinc/20/49/26/985204926.db2.gz NZWVZMSYBHDDEN-UHFFFAOYSA-N 1 2 215.287 2.911 20 30 BFEDLO C#CCCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000686685779 985204935 /nfs/dbraw/zinc/20/49/35/985204935.db2.gz NZWVZMSYBHDDEN-UHFFFAOYSA-N 1 2 215.287 2.911 20 30 BFEDLO C=C[C@H](C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001458256809 985279688 /nfs/dbraw/zinc/27/96/88/985279688.db2.gz UVVJOIIGJCSHRB-VIFPVBQESA-N 1 2 205.305 2.588 20 30 BFEDLO CN(C)c1cc(C2=CC[C@@H](C#N)CC2)cc[nH+]1 ZINC001243800079 985371859 /nfs/dbraw/zinc/37/18/59/985371859.db2.gz WRRLAPGXTJDARI-LLVKDONJSA-N 1 2 227.311 2.855 20 30 BFEDLO CC#CCn1c[nH+]c(Cc2ccccc2OC)c1 ZINC001459302527 985437410 /nfs/dbraw/zinc/43/74/10/985437410.db2.gz QQUSOFPENJZDOE-UHFFFAOYSA-N 1 2 240.306 2.506 20 30 BFEDLO C#CC[NH+](CC#C)[C@H](CC)c1ccc(F)cc1F ZINC001459522926 985521670 /nfs/dbraw/zinc/52/16/70/985521670.db2.gz DMRSTPLNILLSBM-OAHLLOKOSA-N 1 2 247.288 2.984 20 30 BFEDLO C=C/C(=[NH+]\COC)c1ccc(Cl)cc1N ZINC001244199346 985886055 /nfs/dbraw/zinc/88/60/55/985886055.db2.gz YNPOBHXHNAPFKJ-SDNWHVSQSA-N 1 2 224.691 2.501 20 30 BFEDLO Cc1[nH+]c(-c2ccncc2C#N)cc2[nH]ccc21 ZINC001244333185 985967670 /nfs/dbraw/zinc/96/76/70/985967670.db2.gz QAEFDNYLBAZPSH-UHFFFAOYSA-N 1 2 234.262 2.805 20 30 BFEDLO Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)cc1C#N ZINC001244479881 986151552 /nfs/dbraw/zinc/15/15/52/986151552.db2.gz GEXKBRLOBRGNHR-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO C/C(=C\C=C\[NH3+])c1cc(C#N)ccc1F ZINC001244557066 986243600 /nfs/dbraw/zinc/24/36/00/986243600.db2.gz KIUATPLISWDJBD-YGQDEOHPSA-N 1 2 202.232 2.573 20 30 BFEDLO C#C[C@H](CC)[NH2+]Cc1c(Cl)ccnc1Cl ZINC001462222477 986316247 /nfs/dbraw/zinc/31/62/47/986316247.db2.gz OBHMOXHKWZXCLB-MRVPVSSYSA-N 1 2 243.137 2.890 20 30 BFEDLO Cc1c(C#N)cccc1-c1cc[nH+]c(N(C)C)c1 ZINC001244815285 986350692 /nfs/dbraw/zinc/35/06/92/986350692.db2.gz MTWDBPJPGGPBPF-UHFFFAOYSA-N 1 2 237.306 2.995 20 30 BFEDLO CNc1cc(-c2cc(F)cc(CC#N)c2)cc[nH+]1 ZINC001244978280 986564615 /nfs/dbraw/zinc/56/46/15/986564615.db2.gz PFVINGLMDGFRFL-UHFFFAOYSA-N 1 2 241.269 2.995 20 30 BFEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(F)CC1 ZINC000689489243 986664676 /nfs/dbraw/zinc/66/46/76/986664676.db2.gz KWBCMKFUPHBCAZ-UHFFFAOYSA-N 1 2 236.265 2.631 20 30 BFEDLO CC[C@@H](CC#N)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC001255164184 986837769 /nfs/dbraw/zinc/83/77/69/986837769.db2.gz HVOQRTPEOGDYAR-AWEZNQCLSA-N 1 2 244.338 2.746 20 30 BFEDLO CC[C@@H](CC#N)[N@H+]1CCc2ccc(OC)cc2C1 ZINC001255164184 986837775 /nfs/dbraw/zinc/83/77/75/986837775.db2.gz HVOQRTPEOGDYAR-AWEZNQCLSA-N 1 2 244.338 2.746 20 30 BFEDLO Cc1cc(-c2cc(C)c(C#N)c(C)n2)c[nH+]c1N ZINC001245538108 986920376 /nfs/dbraw/zinc/92/03/76/986920376.db2.gz OXYGBLTUJLCFPD-UHFFFAOYSA-N 1 2 238.294 2.523 20 30 BFEDLO Cc1cc(-c2cccc(F)c2CC#N)c[nH+]c1N ZINC001245541770 986929974 /nfs/dbraw/zinc/92/99/74/986929974.db2.gz YVLUKWUOIVZSKQ-UHFFFAOYSA-N 1 2 241.269 2.844 20 30 BFEDLO Cc1ccc(C#N)c(-c2cc[nH+]c3c2CCN3)c1 ZINC001245606123 986992407 /nfs/dbraw/zinc/99/24/07/986992407.db2.gz RFIMFYHUZBLHSA-UHFFFAOYSA-N 1 2 235.290 2.897 20 30 BFEDLO CCCC[N@H+](CC#N)[C@H]1CCOC(C)(C)C1 ZINC001255545640 987003722 /nfs/dbraw/zinc/00/37/22/987003722.db2.gz IIEZTWYYUVMXQC-LBPRGKRZSA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@H]1CCOC(C)(C)C1 ZINC001255545640 987003733 /nfs/dbraw/zinc/00/37/33/987003733.db2.gz IIEZTWYYUVMXQC-LBPRGKRZSA-N 1 2 224.348 2.570 20 30 BFEDLO C=C(C)C(C)(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001472094800 987177151 /nfs/dbraw/zinc/17/71/51/987177151.db2.gz LHLUUBVYYPLNAF-UHFFFAOYSA-N 1 2 249.358 2.752 20 30 BFEDLO C=C(C)C(C)(C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001472094800 987177159 /nfs/dbraw/zinc/17/71/59/987177159.db2.gz LHLUUBVYYPLNAF-UHFFFAOYSA-N 1 2 249.358 2.752 20 30 BFEDLO Cc1cc(SCCn2cc[nH+]c2)ccc1C#N ZINC001473049226 987322625 /nfs/dbraw/zinc/32/26/25/987322625.db2.gz QPVKHOJXKXIGJB-UHFFFAOYSA-N 1 2 243.335 2.856 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC001473442550 987438267 /nfs/dbraw/zinc/43/82/67/987438267.db2.gz HJIAPXSENDDCIX-UHFFFAOYSA-N 1 2 244.269 2.546 20 30 BFEDLO C#CC[N@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC001473442550 987438272 /nfs/dbraw/zinc/43/82/72/987438272.db2.gz HJIAPXSENDDCIX-UHFFFAOYSA-N 1 2 244.269 2.546 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC001473868640 987599061 /nfs/dbraw/zinc/59/90/61/987599061.db2.gz UHKURJZYAZXADP-SECBINFHSA-N 1 2 218.127 2.793 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC001473868640 987599068 /nfs/dbraw/zinc/59/90/68/987599068.db2.gz UHKURJZYAZXADP-SECBINFHSA-N 1 2 218.127 2.793 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)C(C)C)cc(C)n1 ZINC001474336982 987692013 /nfs/dbraw/zinc/69/20/13/987692013.db2.gz QUVBFTHEORMCFL-UHFFFAOYSA-N 1 2 231.343 2.823 20 30 BFEDLO Cc1cc(C[N@H+](CCC#N)C(C)C)cc(C)n1 ZINC001474336982 987692018 /nfs/dbraw/zinc/69/20/18/987692018.db2.gz QUVBFTHEORMCFL-UHFFFAOYSA-N 1 2 231.343 2.823 20 30 BFEDLO C#CC[NH+](CC#C)Cc1cc(C(C)(C)C)oc1C ZINC001474354784 987693901 /nfs/dbraw/zinc/69/39/01/987693901.db2.gz COJNSNCORBPTFK-UHFFFAOYSA-N 1 2 243.350 2.954 20 30 BFEDLO C[N@H+](CC#Cc1ccccc1)Cc1ccccn1 ZINC001474433642 987724460 /nfs/dbraw/zinc/72/44/60/987724460.db2.gz SQSIAADTSIVRDA-UHFFFAOYSA-N 1 2 236.318 2.565 20 30 BFEDLO C[N@@H+](CC#Cc1ccccc1)Cc1ccccn1 ZINC001474433642 987724462 /nfs/dbraw/zinc/72/44/62/987724462.db2.gz SQSIAADTSIVRDA-UHFFFAOYSA-N 1 2 236.318 2.565 20 30 BFEDLO C#CC[NH+](CC#C)Cc1ccccc1SCC ZINC001249440403 989280748 /nfs/dbraw/zinc/28/07/48/989280748.db2.gz LGWDHZVXJUDUIM-UHFFFAOYSA-N 1 2 243.375 2.867 20 30 BFEDLO N#Cc1ccnc(/C=C/c2c[nH+]c3ccccn23)c1 ZINC001326786528 989707171 /nfs/dbraw/zinc/70/71/71/989707171.db2.gz FJGCLRHLMUFXBC-SNAWJCMRSA-N 1 2 246.273 2.771 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cccc(F)c1O ZINC001138127923 990886590 /nfs/dbraw/zinc/88/65/90/990886590.db2.gz WDVCFHPKBALICN-UHFFFAOYSA-N 1 2 236.290 2.657 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cccc(F)c1O ZINC001138127923 990886593 /nfs/dbraw/zinc/88/65/93/990886593.db2.gz WDVCFHPKBALICN-UHFFFAOYSA-N 1 2 236.290 2.657 20 30 BFEDLO CCCC[N@H+](CC#N)[C@@H](C)CCSC ZINC001258226961 991161969 /nfs/dbraw/zinc/16/19/69/991161969.db2.gz UNFXJVYLXVEGCN-NSHDSACASA-N 1 2 214.378 2.754 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@@H](C)CCSC ZINC001258226961 991161983 /nfs/dbraw/zinc/16/19/83/991161983.db2.gz UNFXJVYLXVEGCN-NSHDSACASA-N 1 2 214.378 2.754 20 30 BFEDLO CC1(C)CCC[C@@H]([NH2+]C2(C#N)CCC2)C1 ZINC001258275689 991200100 /nfs/dbraw/zinc/20/01/00/991200100.db2.gz POLRKQMSUHWODR-LLVKDONJSA-N 1 2 206.333 2.991 20 30 BFEDLO CC1(C)CCC[C@@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001258280444 991207746 /nfs/dbraw/zinc/20/77/46/991207746.db2.gz VAHVWDDIHJONFD-GFCCVEGCSA-N 1 2 236.359 2.618 20 30 BFEDLO N#Cc1ccc(F)c(C[NH+]2CC3(CCC3)C2)c1 ZINC001139645961 991307405 /nfs/dbraw/zinc/30/74/05/991307405.db2.gz GXGYWIDIQRQJIG-UHFFFAOYSA-N 1 2 230.286 2.683 20 30 BFEDLO CC(C)C1CCC([NH+]2CC(C#N)C2)CC1 ZINC001258803085 991802131 /nfs/dbraw/zinc/80/21/31/991802131.db2.gz MGGZYGGVYAZVMM-UHFFFAOYSA-N 1 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20 30 BFEDLO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000068607821 136209931 /nfs/dbraw/zinc/20/99/31/136209931.db2.gz XGPHOIHMELKLBG-RKDXNWHRSA-N 1 2 224.254 2.918 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000081159291 136211219 /nfs/dbraw/zinc/21/12/19/136211219.db2.gz WMFMYCUQOZPPBN-UHFFFAOYSA-N 1 2 217.316 2.597 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000081159291 136211220 /nfs/dbraw/zinc/21/12/20/136211220.db2.gz WMFMYCUQOZPPBN-UHFFFAOYSA-N 1 2 217.316 2.597 20 30 BFEDLO C=CCOc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000389960187 398151993 /nfs/dbraw/zinc/15/19/93/398151993.db2.gz HQARUKINVUCKDO-JTQLQIEISA-N 1 2 241.281 2.995 20 30 BFEDLO C=CCN(c1cc(CC)[nH+]c(C)n1)C1CC1 ZINC000272953800 538926486 /nfs/dbraw/zinc/92/64/86/538926486.db2.gz YYXPVOFNJFNQJT-UHFFFAOYSA-N 1 2 217.316 2.502 20 30 BFEDLO Cn1c2ccccc2[nH+]c1CCSCCC#N ZINC000413016872 398212896 /nfs/dbraw/zinc/21/28/96/398212896.db2.gz XKQOGZISJXHNDE-UHFFFAOYSA-N 1 2 245.351 2.763 20 30 BFEDLO N#CCC[NH2+]Cc1ccccc1OC1CCC1 ZINC000576749617 365675214 /nfs/dbraw/zinc/67/52/14/365675214.db2.gz URGCIMOJJKPSTQ-UHFFFAOYSA-N 1 2 230.311 2.621 20 30 BFEDLO Cc1ncc([C@H](C)[N@@H+](CCC#N)C(C)C)c(C)n1 ZINC000602450554 349551863 /nfs/dbraw/zinc/55/18/63/349551863.db2.gz XFDDVBKYHAPMIA-LBPRGKRZSA-N 1 2 246.358 2.779 20 30 BFEDLO Cc1ncc([C@H](C)[N@H+](CCC#N)C(C)C)c(C)n1 ZINC000602450554 349551865 /nfs/dbraw/zinc/55/18/65/349551865.db2.gz XFDDVBKYHAPMIA-LBPRGKRZSA-N 1 2 246.358 2.779 20 30 BFEDLO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615651779 398271778 /nfs/dbraw/zinc/27/17/78/398271778.db2.gz VJKBJKMCAIFFIH-MJBXVCDLSA-N 1 2 236.334 2.916 20 30 BFEDLO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@](F)(C#N)C1 ZINC000615651779 398271782 /nfs/dbraw/zinc/27/17/82/398271782.db2.gz VJKBJKMCAIFFIH-MJBXVCDLSA-N 1 2 236.334 2.916 20 30 BFEDLO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615651776 398271888 /nfs/dbraw/zinc/27/18/88/398271888.db2.gz VJKBJKMCAIFFIH-MELADBBJSA-N 1 2 236.334 2.916 20 30 BFEDLO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615651776 398271891 /nfs/dbraw/zinc/27/18/91/398271891.db2.gz VJKBJKMCAIFFIH-MELADBBJSA-N 1 2 236.334 2.916 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1cnc(C2CC2)o1 ZINC000600111029 342669909 /nfs/dbraw/zinc/66/99/09/342669909.db2.gz ILXKCZZTPMBYBL-UHFFFAOYSA-N 1 2 233.315 2.676 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(C2CC2)o1 ZINC000600111029 342669910 /nfs/dbraw/zinc/66/99/10/342669910.db2.gz ILXKCZZTPMBYBL-UHFFFAOYSA-N 1 2 233.315 2.676 20 30 BFEDLO N#Cc1ccc(C[NH2+][C@H]2CCCC2(F)F)s1 ZINC000309597064 398304224 /nfs/dbraw/zinc/30/42/24/398304224.db2.gz UXRUAEISGDZQPH-JTQLQIEISA-N 1 2 242.294 2.897 20 30 BFEDLO C=CC1CC[NH+](Cc2noc(C3CCC3)n2)CC1 ZINC000625159029 342897334 /nfs/dbraw/zinc/89/73/34/342897334.db2.gz OLJRRGKRVWPKDB-UHFFFAOYSA-N 1 2 247.342 2.735 20 30 BFEDLO C=CC[N@@H+](CCN(C#N)CC)Cc1cccs1 ZINC000602758017 349731993 /nfs/dbraw/zinc/73/19/93/349731993.db2.gz DZIVGLYVSAYGEA-UHFFFAOYSA-N 1 2 249.383 2.539 20 30 BFEDLO C=CC[N@H+](CCN(C#N)CC)Cc1cccs1 ZINC000602758017 349731997 /nfs/dbraw/zinc/73/19/97/349731997.db2.gz DZIVGLYVSAYGEA-UHFFFAOYSA-N 1 2 249.383 2.539 20 30 BFEDLO CCc1ccc(C[N@H+](C)CCC#N)cc1 ZINC000046437789 343013116 /nfs/dbraw/zinc/01/31/16/343013116.db2.gz IRYIRURQUOYNCQ-UHFFFAOYSA-N 1 2 202.301 2.594 20 30 BFEDLO CCc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000046437789 343013117 /nfs/dbraw/zinc/01/31/17/343013117.db2.gz IRYIRURQUOYNCQ-UHFFFAOYSA-N 1 2 202.301 2.594 20 30 BFEDLO C=CCN(CCC#N)Cc1c(C)cc(C)[nH+]c1C ZINC000602837203 349776288 /nfs/dbraw/zinc/77/62/88/349776288.db2.gz LSWOHBZEDFGENL-UHFFFAOYSA-N 1 2 243.354 2.909 20 30 BFEDLO C=C[C@@H](C)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000301610422 136264847 /nfs/dbraw/zinc/26/48/47/136264847.db2.gz QNPZNMWZXUGWPV-SNVBAGLBSA-N 1 2 240.310 2.833 20 30 BFEDLO N#CC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000362953107 136269046 /nfs/dbraw/zinc/26/90/46/136269046.db2.gz XGIIVHJOQURSQO-ZDUSSCGKSA-N 1 2 206.333 2.945 20 30 BFEDLO N#CC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000362953107 136269047 /nfs/dbraw/zinc/26/90/47/136269047.db2.gz XGIIVHJOQURSQO-ZDUSSCGKSA-N 1 2 206.333 2.945 20 30 BFEDLO C=C1CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000264511564 187234881 /nfs/dbraw/zinc/23/48/81/187234881.db2.gz GAYTWUSXNHOUCO-UHFFFAOYSA-N 1 2 239.750 2.534 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(F)c1Cl ZINC000602866950 349798912 /nfs/dbraw/zinc/79/89/12/349798912.db2.gz AJNFNDNDDRGSIJ-QMMMGPOBSA-N 1 2 226.682 2.871 20 30 BFEDLO C[C@@H](Cc1ccccc1)C[N@H+](CC#N)C1CC1 ZINC000273204223 136283858 /nfs/dbraw/zinc/28/38/58/136283858.db2.gz LVDDYJCPFBMOPT-ZDUSSCGKSA-N 1 2 228.339 2.853 20 30 BFEDLO C[C@@H](Cc1ccccc1)C[N@@H+](CC#N)C1CC1 ZINC000273204223 136283859 /nfs/dbraw/zinc/28/38/59/136283859.db2.gz LVDDYJCPFBMOPT-ZDUSSCGKSA-N 1 2 228.339 2.853 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccoc1C(=O)OC ZINC000489503629 259357469 /nfs/dbraw/zinc/35/74/69/259357469.db2.gz YWUZCXPTILCGEW-GFCCVEGCSA-N 1 2 249.310 2.607 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccoc1C(=O)OC ZINC000489503629 259357470 /nfs/dbraw/zinc/35/74/70/259357470.db2.gz YWUZCXPTILCGEW-GFCCVEGCSA-N 1 2 249.310 2.607 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccon1 ZINC000349245461 136332725 /nfs/dbraw/zinc/33/27/25/136332725.db2.gz RJXGBELCQMMWHB-WDEREUQCSA-N 1 2 241.294 2.958 20 30 BFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329310729 136364907 /nfs/dbraw/zinc/36/49/07/136364907.db2.gz ZMAITFLQVQPMSD-OUAUKWLOSA-N 1 2 247.342 2.660 20 30 BFEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329310729 136364908 /nfs/dbraw/zinc/36/49/08/136364908.db2.gz ZMAITFLQVQPMSD-OUAUKWLOSA-N 1 2 247.342 2.660 20 30 BFEDLO CC1(C)CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000329383870 136365535 /nfs/dbraw/zinc/36/55/35/136365535.db2.gz PANPAIBSBCYXOB-JTQLQIEISA-N 1 2 235.331 2.878 20 30 BFEDLO CC1(C)CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000329383870 136365536 /nfs/dbraw/zinc/36/55/36/136365536.db2.gz PANPAIBSBCYXOB-JTQLQIEISA-N 1 2 235.331 2.878 20 30 BFEDLO Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCOC3)c(C)[nH+]1 ZINC000329600579 136366777 /nfs/dbraw/zinc/36/67/77/136366777.db2.gz KESVQAXPHRPCKB-SMDDNHRTSA-N 1 2 246.310 2.713 20 30 BFEDLO Cc1ccnc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000616773367 343563928 /nfs/dbraw/zinc/56/39/28/343563928.db2.gz JBTJCMRRHAKKFC-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccnc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000616773367 343563929 /nfs/dbraw/zinc/56/39/29/343563929.db2.gz JBTJCMRRHAKKFC-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000052893206 343641471 /nfs/dbraw/zinc/64/14/71/343641471.db2.gz ZXNFOEUBIXWJTH-UHFFFAOYSA-N 1 2 225.719 2.880 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1cccc(OC)c1 ZINC000052893206 343641472 /nfs/dbraw/zinc/64/14/72/343641472.db2.gz ZXNFOEUBIXWJTH-UHFFFAOYSA-N 1 2 225.719 2.880 20 30 BFEDLO C[N@H+](Cc1cc(C2CC2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602982665 349834727 /nfs/dbraw/zinc/83/47/27/349834727.db2.gz WLMOROJDNGGKIV-BXUZGUMPSA-N 1 2 245.326 2.676 20 30 BFEDLO C[N@@H+](Cc1cc(C2CC2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602982665 349834728 /nfs/dbraw/zinc/83/47/28/349834728.db2.gz WLMOROJDNGGKIV-BXUZGUMPSA-N 1 2 245.326 2.676 20 30 BFEDLO CCc1noc(C)c1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977981 349842528 /nfs/dbraw/zinc/84/25/28/349842528.db2.gz JPSMTBBNPMEGOJ-SMDDNHRTSA-N 1 2 247.342 2.670 20 30 BFEDLO CCc1noc(C)c1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977981 349842530 /nfs/dbraw/zinc/84/25/30/349842530.db2.gz JPSMTBBNPMEGOJ-SMDDNHRTSA-N 1 2 247.342 2.670 20 30 BFEDLO Cc1ncccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982756 349835318 /nfs/dbraw/zinc/83/53/18/349835318.db2.gz XSEYCRFGNVTFLB-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ncccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982756 349835321 /nfs/dbraw/zinc/83/53/21/349835321.db2.gz XSEYCRFGNVTFLB-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)cc1F ZINC000380139150 343683143 /nfs/dbraw/zinc/68/31/43/343683143.db2.gz VDUJSGDMRGTWLY-QMMMGPOBSA-N 1 2 226.682 2.871 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c(C)n1 ZINC000602979381 349844462 /nfs/dbraw/zinc/84/44/62/349844462.db2.gz COBSMTJLUHZFPQ-ZFWWWQNUSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c(C)n1 ZINC000602979381 349844464 /nfs/dbraw/zinc/84/44/64/349844464.db2.gz COBSMTJLUHZFPQ-ZFWWWQNUSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1cccnc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980507 349846097 /nfs/dbraw/zinc/84/60/97/349846097.db2.gz QSZONQDDGTXBSZ-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccnc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980507 349846100 /nfs/dbraw/zinc/84/61/00/349846100.db2.gz QSZONQDDGTXBSZ-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(Cl)c1O ZINC000180057036 347010682 /nfs/dbraw/zinc/01/06/82/347010682.db2.gz BOVNTNSZBWUZEO-SECBINFHSA-N 1 2 238.718 2.780 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180057036 347010684 /nfs/dbraw/zinc/01/06/84/347010684.db2.gz BOVNTNSZBWUZEO-SECBINFHSA-N 1 2 238.718 2.780 20 30 BFEDLO C=C[C@H]([NH2+]CC(CC)(CC)CC)C(=O)OC ZINC000393750131 343923514 /nfs/dbraw/zinc/92/35/14/343923514.db2.gz BQAIIDCEVKJRCT-NSHDSACASA-N 1 2 227.348 2.520 20 30 BFEDLO CCC#C[C@H](C)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625728208 344060052 /nfs/dbraw/zinc/06/00/52/344060052.db2.gz ZOJSHIAXERFWBO-NSHDSACASA-N 1 2 215.296 2.510 20 30 BFEDLO CCC#C[C@H](C)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625728208 344060053 /nfs/dbraw/zinc/06/00/53/344060053.db2.gz ZOJSHIAXERFWBO-NSHDSACASA-N 1 2 215.296 2.510 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000126096667 344168791 /nfs/dbraw/zinc/16/87/91/344168791.db2.gz QOABIYAORPLSSA-MRVPVSSYSA-N 1 2 216.737 2.855 20 30 BFEDLO C#CCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000130580262 344222137 /nfs/dbraw/zinc/22/21/37/344222137.db2.gz OLOZXZXLAQTNDV-UHFFFAOYSA-N 1 2 215.300 2.569 20 30 BFEDLO CC[N@@H+](Cc1ccc(C)o1)C[C@@H](C)C#N ZINC000042449557 344454669 /nfs/dbraw/zinc/45/46/69/344454669.db2.gz ADSMNMZZBLPOLP-JTQLQIEISA-N 1 2 206.289 2.570 20 30 BFEDLO CC[N@H+](Cc1ccc(C)o1)C[C@@H](C)C#N ZINC000042449557 344454671 /nfs/dbraw/zinc/45/46/71/344454671.db2.gz ADSMNMZZBLPOLP-JTQLQIEISA-N 1 2 206.289 2.570 20 30 BFEDLO N#CCC[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000107805808 347065299 /nfs/dbraw/zinc/06/52/99/347065299.db2.gz PFCYGWIVGGYZEP-UHFFFAOYSA-N 1 2 246.207 2.848 20 30 BFEDLO C=CC[C@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152389479 187292719 /nfs/dbraw/zinc/29/27/19/187292719.db2.gz ZTHRXIMJGALFAH-VIFPVBQESA-N 1 2 233.315 2.785 20 30 BFEDLO N#CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119065049 344838255 /nfs/dbraw/zinc/83/82/55/344838255.db2.gz HRLZEGGHNYQJKI-CABCVRRESA-N 1 2 228.339 2.901 20 30 BFEDLO N#CC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000123773546 345015404 /nfs/dbraw/zinc/01/54/04/345015404.db2.gz JCOZDXXLEGYIHE-UHFFFAOYSA-N 1 2 236.265 2.700 20 30 BFEDLO CC#CCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000154883567 345055062 /nfs/dbraw/zinc/05/50/62/345055062.db2.gz UOYOCOYIZXTECH-UHFFFAOYSA-N 1 2 226.279 2.665 20 30 BFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCc2ccsc2C1 ZINC000132810281 345346166 /nfs/dbraw/zinc/34/61/66/345346166.db2.gz WOOUFXSVSHWEJZ-NSHDSACASA-N 1 2 245.351 2.550 20 30 BFEDLO N#CCC[C@@H](C#N)C[N@H+]1CCc2ccsc2C1 ZINC000132810281 345346168 /nfs/dbraw/zinc/34/61/68/345346168.db2.gz WOOUFXSVSHWEJZ-NSHDSACASA-N 1 2 245.351 2.550 20 30 BFEDLO N#CC[N@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000359585575 345362893 /nfs/dbraw/zinc/36/28/93/345362893.db2.gz BSFYZAQYIDFYSQ-ZDUSSCGKSA-N 1 2 240.350 2.779 20 30 BFEDLO N#CC[N@@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000359585575 345362895 /nfs/dbraw/zinc/36/28/95/345362895.db2.gz BSFYZAQYIDFYSQ-ZDUSSCGKSA-N 1 2 240.350 2.779 20 30 BFEDLO CCc1cccc(OCC[N@@H+](CC)CCC#N)c1 ZINC000081513768 345482708 /nfs/dbraw/zinc/48/27/08/345482708.db2.gz UHEVZYPZMIMNAC-UHFFFAOYSA-N 1 2 246.354 2.863 20 30 BFEDLO CCc1cccc(OCC[N@H+](CC)CCC#N)c1 ZINC000081513768 345482709 /nfs/dbraw/zinc/48/27/09/345482709.db2.gz UHEVZYPZMIMNAC-UHFFFAOYSA-N 1 2 246.354 2.863 20 30 BFEDLO CC[N@@H+](Cc1sccc1OC)C[C@@H](C)C#N ZINC000091982782 345613566 /nfs/dbraw/zinc/61/35/66/345613566.db2.gz QIHVNAFOKXDDJD-JTQLQIEISA-N 1 2 238.356 2.738 20 30 BFEDLO CC[N@H+](Cc1sccc1OC)C[C@@H](C)C#N ZINC000091982782 345613570 /nfs/dbraw/zinc/61/35/70/345613570.db2.gz QIHVNAFOKXDDJD-JTQLQIEISA-N 1 2 238.356 2.738 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc(C(=O)OCC)co1 ZINC000144717602 345709743 /nfs/dbraw/zinc/70/97/43/345709743.db2.gz VTUTYAZNMPVHFF-UHFFFAOYSA-N 1 2 249.310 2.630 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC[C@@H]1CCCCO1 ZINC000182203060 347088894 /nfs/dbraw/zinc/08/88/94/347088894.db2.gz ZDROVQQDJGELGC-JMRXEAOASA-N 1 2 233.311 2.770 20 30 BFEDLO C=C(C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635774291 346061254 /nfs/dbraw/zinc/06/12/54/346061254.db2.gz CHYJXYVCUWTKGC-ZDUSSCGKSA-N 1 2 249.358 2.505 20 30 BFEDLO C=CCOc1cc(C)[nH+]c(CCC)c1C(=O)OC ZINC000419024252 192095554 /nfs/dbraw/zinc/09/55/54/192095554.db2.gz FGZCQMAOGWKZBH-UHFFFAOYSA-N 1 2 249.310 2.694 20 30 BFEDLO C=C(C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635774290 346061048 /nfs/dbraw/zinc/06/10/48/346061048.db2.gz CHYJXYVCUWTKGC-CYBMUJFWSA-N 1 2 249.358 2.505 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000289651857 346219763 /nfs/dbraw/zinc/21/97/63/346219763.db2.gz LONKLSRHGKKRCG-VXGBXAGGSA-N 1 2 217.316 2.733 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000289651855 346219893 /nfs/dbraw/zinc/21/98/93/346219893.db2.gz LONKLSRHGKKRCG-RYUDHWBXSA-N 1 2 217.316 2.733 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000161735507 346381965 /nfs/dbraw/zinc/38/19/65/346381965.db2.gz IDBZIXJDSQWAFJ-ZETCQYMHSA-N 1 2 216.737 2.855 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1csc(C)n1 ZINC000161735374 346382017 /nfs/dbraw/zinc/38/20/17/346382017.db2.gz IDBZIXJDSQWAFJ-SSDOTTSWSA-N 1 2 216.737 2.855 20 30 BFEDLO Cc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1F ZINC000294633559 179069497 /nfs/dbraw/zinc/06/94/97/179069497.db2.gz APFPEXWMXZMFJD-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1F ZINC000294633559 179069500 /nfs/dbraw/zinc/06/95/00/179069500.db2.gz APFPEXWMXZMFJD-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO C=CCOc1cccc(C[NH2+][C@H](C)C(F)F)c1 ZINC000641792326 362727548 /nfs/dbraw/zinc/72/75/48/362727548.db2.gz RFCJLQKMOMTNFD-SNVBAGLBSA-N 1 2 241.281 2.995 20 30 BFEDLO Cc1csc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000563571163 323130402 /nfs/dbraw/zinc/13/04/02/323130402.db2.gz MWGCWKDURIAJPW-QWRGUYRKSA-N 1 2 248.355 2.546 20 30 BFEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCC#N ZINC000182834755 347108107 /nfs/dbraw/zinc/10/81/07/347108107.db2.gz BMQUKSJNIRBQKI-LLVKDONJSA-N 1 2 247.298 2.810 20 30 BFEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCC#N ZINC000182834755 347108110 /nfs/dbraw/zinc/10/81/10/347108110.db2.gz BMQUKSJNIRBQKI-LLVKDONJSA-N 1 2 247.298 2.810 20 30 BFEDLO C=CCC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000309703899 347145161 /nfs/dbraw/zinc/14/51/61/347145161.db2.gz UOECHXAHWKPCHQ-UHFFFAOYSA-N 1 2 213.284 2.860 20 30 BFEDLO CC[C@@H](CC#N)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000184571822 347167613 /nfs/dbraw/zinc/16/76/13/347167613.db2.gz VGKFKTYZLQCOLW-NSHDSACASA-N 1 2 246.314 2.512 20 30 BFEDLO Cc1cncc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000189913955 347314977 /nfs/dbraw/zinc/31/49/77/347314977.db2.gz JLOIEHZGVQDLRY-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1cncc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000189913955 347314979 /nfs/dbraw/zinc/31/49/79/347314979.db2.gz JLOIEHZGVQDLRY-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO N#Cc1ccc(C[NH+]2CC(CC(F)(F)F)C2)o1 ZINC000590969188 347596683 /nfs/dbraw/zinc/59/66/83/347596683.db2.gz AXGNRFOZXIDDGY-UHFFFAOYSA-N 1 2 244.216 2.535 20 30 BFEDLO CC(C)(C[NH+]1CC(C)(C#N)C1)c1ccccc1 ZINC000590967900 347596737 /nfs/dbraw/zinc/59/67/37/347596737.db2.gz SFIXALQQAXWYJU-UHFFFAOYSA-N 1 2 228.339 2.810 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](CCC)C1CCCC1)C(=O)OC ZINC000591377345 347651423 /nfs/dbraw/zinc/65/14/23/347651423.db2.gz PGJGDCJOTCFOCV-STQMWFEESA-N 1 2 239.359 2.663 20 30 BFEDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccncc1C#N ZINC000592065757 347726156 /nfs/dbraw/zinc/72/61/56/347726156.db2.gz YIWLVCSBUJYJLF-LLVKDONJSA-N 1 2 241.294 2.739 20 30 BFEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccncc1C#N ZINC000592065757 347726159 /nfs/dbraw/zinc/72/61/59/347726159.db2.gz YIWLVCSBUJYJLF-LLVKDONJSA-N 1 2 241.294 2.739 20 30 BFEDLO CC(C)Oc1cc[nH+]c(CN(C)[C@@H](C)CC#N)c1 ZINC000593015128 347844506 /nfs/dbraw/zinc/84/45/06/347844506.db2.gz NBDYJFSEBCMUPP-LBPRGKRZSA-N 1 2 247.342 2.603 20 30 BFEDLO COCc1cc[nH+]c(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000593696212 347929738 /nfs/dbraw/zinc/92/97/38/347929738.db2.gz FSOAQAPKUKWGFZ-AAEUAGOBSA-N 1 2 245.326 2.722 20 30 BFEDLO CCc1cc[nH+]cc1N[C@H]1CC[C@@H](C#N)C1 ZINC000593680439 347932596 /nfs/dbraw/zinc/93/25/96/347932596.db2.gz WFSUQMGLCHJUGD-PWSUYJOCSA-N 1 2 215.300 2.748 20 30 BFEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000593661170 347923889 /nfs/dbraw/zinc/92/38/89/347923889.db2.gz KSHAMGAUCAQUME-NEPJUHHUSA-N 1 2 248.326 2.541 20 30 BFEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(C#N)o1 ZINC000593661170 347923891 /nfs/dbraw/zinc/92/38/91/347923891.db2.gz KSHAMGAUCAQUME-NEPJUHHUSA-N 1 2 248.326 2.541 20 30 BFEDLO CC[C@H](CC(F)F)C[N@H+](CC)CC#N ZINC000595301779 348219940 /nfs/dbraw/zinc/21/99/40/348219940.db2.gz PJXBDWSDDOVMGJ-SECBINFHSA-N 1 2 204.264 2.513 20 30 BFEDLO CC[C@H](CC(F)F)C[N@@H+](CC)CC#N ZINC000595301779 348219941 /nfs/dbraw/zinc/21/99/41/348219941.db2.gz PJXBDWSDDOVMGJ-SECBINFHSA-N 1 2 204.264 2.513 20 30 BFEDLO C[C@@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595302587 348209915 /nfs/dbraw/zinc/20/99/15/348209915.db2.gz VXNBRPFJOMOVHS-YPMHNXCESA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595302587 348209917 /nfs/dbraw/zinc/20/99/17/348209917.db2.gz VXNBRPFJOMOVHS-YPMHNXCESA-N 1 2 200.285 2.593 20 30 BFEDLO N#CCC[N@H+](CCC1CCC1)Cc1ccccn1 ZINC000595344449 348234542 /nfs/dbraw/zinc/23/45/42/348234542.db2.gz UCQANINNLUKGOU-UHFFFAOYSA-N 1 2 243.354 2.987 20 30 BFEDLO N#CCC[N@@H+](CCC1CCC1)Cc1ccccn1 ZINC000595344449 348234547 /nfs/dbraw/zinc/23/45/47/348234547.db2.gz UCQANINNLUKGOU-UHFFFAOYSA-N 1 2 243.354 2.987 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000595621424 348290762 /nfs/dbraw/zinc/29/07/62/348290762.db2.gz UORMVMBVYRSDFW-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000595621424 348290763 /nfs/dbraw/zinc/29/07/63/348290763.db2.gz UORMVMBVYRSDFW-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO C[C@@H](C#N)[N@H+](CCCCOC(C)(C)C)C1CC1 ZINC000595709971 348321340 /nfs/dbraw/zinc/32/13/40/348321340.db2.gz LDCLVWRDMMDJFD-LBPRGKRZSA-N 1 2 238.375 2.958 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CCCCOC(C)(C)C)C1CC1 ZINC000595709971 348321344 /nfs/dbraw/zinc/32/13/44/348321344.db2.gz LDCLVWRDMMDJFD-LBPRGKRZSA-N 1 2 238.375 2.958 20 30 BFEDLO C[C@@H](C#N)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000595721531 348327490 /nfs/dbraw/zinc/32/74/90/348327490.db2.gz SUMYAJUAGDNARH-NSHDSACASA-N 1 2 219.332 2.693 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000595721531 348327492 /nfs/dbraw/zinc/32/74/92/348327492.db2.gz SUMYAJUAGDNARH-NSHDSACASA-N 1 2 219.332 2.693 20 30 BFEDLO COc1ccc([C@H]2CCC[N@@H+]2CCC#N)cc1F ZINC000595747914 348340047 /nfs/dbraw/zinc/34/00/47/348340047.db2.gz PHLSKNHUXHRISQ-CYBMUJFWSA-N 1 2 248.301 2.885 20 30 BFEDLO COc1ccc([C@H]2CCC[N@H+]2CCC#N)cc1F ZINC000595747914 348340052 /nfs/dbraw/zinc/34/00/52/348340052.db2.gz PHLSKNHUXHRISQ-CYBMUJFWSA-N 1 2 248.301 2.885 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000595833623 348367668 /nfs/dbraw/zinc/36/76/68/348367668.db2.gz HWVNOOXFNYOYLW-PXTSUWAFSA-N 1 2 226.323 2.935 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000595833623 348367671 /nfs/dbraw/zinc/36/76/71/348367671.db2.gz HWVNOOXFNYOYLW-PXTSUWAFSA-N 1 2 226.323 2.935 20 30 BFEDLO CCCc1nc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000595841078 348375510 /nfs/dbraw/zinc/37/55/10/348375510.db2.gz HCPSIJSQKXNXRN-CQSZACIVSA-N 1 2 247.342 2.671 20 30 BFEDLO CCCc1nc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000595841078 348375513 /nfs/dbraw/zinc/37/55/13/348375513.db2.gz HCPSIJSQKXNXRN-CQSZACIVSA-N 1 2 247.342 2.671 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842067 348378093 /nfs/dbraw/zinc/37/80/93/348378093.db2.gz BVFASHNKTYPTAV-SWLSCSKDSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842067 348378096 /nfs/dbraw/zinc/37/80/96/348378096.db2.gz BVFASHNKTYPTAV-SWLSCSKDSA-N 1 2 239.322 2.855 20 30 BFEDLO Cc1ccc(F)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842248 348378374 /nfs/dbraw/zinc/37/83/74/348378374.db2.gz QJQXDDLHFWIIME-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(F)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842248 348378378 /nfs/dbraw/zinc/37/83/78/348378378.db2.gz QJQXDDLHFWIIME-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO C=C[C@H]([NH2+]C[C@@H](C)C1CCCCC1)C(=O)OC ZINC000596047861 348429297 /nfs/dbraw/zinc/42/92/97/348429297.db2.gz SJZDASQZGVWUDX-YPMHNXCESA-N 1 2 239.359 2.520 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000597081658 348658689 /nfs/dbraw/zinc/65/86/89/348658689.db2.gz CIFXWKNSZDEJGP-JTQLQIEISA-N 1 2 248.301 2.616 20 30 BFEDLO CCc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000597231415 348698509 /nfs/dbraw/zinc/69/85/09/348698509.db2.gz XDUAIOHAPMEGPK-ZDUSSCGKSA-N 1 2 218.300 2.578 20 30 BFEDLO CCc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000597231415 348698510 /nfs/dbraw/zinc/69/85/10/348698510.db2.gz XDUAIOHAPMEGPK-ZDUSSCGKSA-N 1 2 218.300 2.578 20 30 BFEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(F)c1 ZINC000597230945 348698531 /nfs/dbraw/zinc/69/85/31/348698531.db2.gz KJGUYAFNGPODIY-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(F)c1 ZINC000597230945 348698532 /nfs/dbraw/zinc/69/85/32/348698532.db2.gz KJGUYAFNGPODIY-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO CCOc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597230917 348698701 /nfs/dbraw/zinc/69/87/01/348698701.db2.gz UVVNZISIBKQPHY-OAHLLOKOSA-N 1 2 244.338 2.821 20 30 BFEDLO CCOc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597230917 348698704 /nfs/dbraw/zinc/69/87/04/348698704.db2.gz UVVNZISIBKQPHY-OAHLLOKOSA-N 1 2 244.338 2.821 20 30 BFEDLO Cc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1F ZINC000597231361 348699438 /nfs/dbraw/zinc/69/94/38/348699438.db2.gz LVAGCXOMBCAHLP-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1F ZINC000597231361 348699439 /nfs/dbraw/zinc/69/94/39/348699439.db2.gz LVAGCXOMBCAHLP-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000597231970 348699469 /nfs/dbraw/zinc/69/94/69/348699469.db2.gz PUPYKRIOPZEFSZ-ZDUSSCGKSA-N 1 2 247.367 2.756 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000597231970 348699482 /nfs/dbraw/zinc/69/94/82/348699482.db2.gz PUPYKRIOPZEFSZ-ZDUSSCGKSA-N 1 2 247.367 2.756 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000054182100 348896175 /nfs/dbraw/zinc/89/61/75/348896175.db2.gz KYXLMINVANCIST-QWRGUYRKSA-N 1 2 247.298 2.938 20 30 BFEDLO C=CCOc1ccccc1C[NH2+]C[C@H](C)C#N ZINC000054180935 348896332 /nfs/dbraw/zinc/89/63/32/348896332.db2.gz HPDGIZASUQJQII-GFCCVEGCSA-N 1 2 230.311 2.501 20 30 BFEDLO CCC(F)(F)C[NH2+]Cc1ccc(C#N)cc1 ZINC000598996863 349073595 /nfs/dbraw/zinc/07/35/95/349073595.db2.gz PREGRLDNJHEBNO-UHFFFAOYSA-N 1 2 224.254 2.693 20 30 BFEDLO CCC(F)(F)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000598996067 349073761 /nfs/dbraw/zinc/07/37/61/349073761.db2.gz ASOFMFBHMQBUJG-UHFFFAOYSA-N 1 2 242.244 2.832 20 30 BFEDLO Cc1cc(NC[C@H]2CCCC23CC3)c(C#N)c[nH+]1 ZINC000599198758 349116690 /nfs/dbraw/zinc/11/66/90/349116690.db2.gz QZPLSBLRVULINL-CYBMUJFWSA-N 1 2 241.338 2.676 20 30 BFEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1C#N ZINC000599474937 349195319 /nfs/dbraw/zinc/19/53/19/349195319.db2.gz DHKUIZRDEWCYKS-HNNXBMFYSA-N 1 2 239.322 2.602 20 30 BFEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1C#N ZINC000599474937 349195323 /nfs/dbraw/zinc/19/53/23/349195323.db2.gz DHKUIZRDEWCYKS-HNNXBMFYSA-N 1 2 239.322 2.602 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cccc(F)c1C#N ZINC000428453144 191075216 /nfs/dbraw/zinc/07/52/16/191075216.db2.gz AHIATLRZGXDXHU-UHFFFAOYSA-N 1 2 230.286 2.871 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000426552544 191097211 /nfs/dbraw/zinc/09/72/11/191097211.db2.gz KMRTWPIERBMOOJ-LLVKDONJSA-N 1 2 241.285 2.819 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000426552544 191097213 /nfs/dbraw/zinc/09/72/13/191097213.db2.gz KMRTWPIERBMOOJ-LLVKDONJSA-N 1 2 241.285 2.819 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1scnc1C ZINC000066666668 350578710 /nfs/dbraw/zinc/57/87/10/350578710.db2.gz MDTYIDJSKUIQBK-UHFFFAOYSA-N 1 2 216.737 2.636 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1scnc1C ZINC000066666668 350578713 /nfs/dbraw/zinc/57/87/13/350578713.db2.gz MDTYIDJSKUIQBK-UHFFFAOYSA-N 1 2 216.737 2.636 20 30 BFEDLO N#CCc1cc[nH+]c(NCc2cccs2)c1 ZINC000309489764 350582766 /nfs/dbraw/zinc/58/27/66/350582766.db2.gz HZESFLQXNSEZPU-UHFFFAOYSA-N 1 2 229.308 2.821 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000397585817 350930569 /nfs/dbraw/zinc/93/05/69/350930569.db2.gz AJVCLQUDQNXRLV-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000397585817 350930572 /nfs/dbraw/zinc/93/05/72/350930572.db2.gz AJVCLQUDQNXRLV-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000397676476 350959725 /nfs/dbraw/zinc/95/97/25/350959725.db2.gz JEBQTRRKGXXZOO-LKJZUNMESA-N 1 2 233.142 2.931 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000397676476 350959727 /nfs/dbraw/zinc/95/97/27/350959727.db2.gz JEBQTRRKGXXZOO-LKJZUNMESA-N 1 2 233.142 2.931 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccccc1[N+](=O)[O-] ZINC000271592747 363019212 /nfs/dbraw/zinc/01/92/12/363019212.db2.gz GCSHZWWOFPEEGC-VHSXEESVSA-N 1 2 233.271 2.548 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000271143438 351404480 /nfs/dbraw/zinc/40/44/80/351404480.db2.gz WJMOIFWYAAMTLQ-LBPRGKRZSA-N 1 2 239.322 2.826 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000271143438 351404483 /nfs/dbraw/zinc/40/44/83/351404483.db2.gz WJMOIFWYAAMTLQ-LBPRGKRZSA-N 1 2 239.322 2.826 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000271109190 351401184 /nfs/dbraw/zinc/40/11/84/351401184.db2.gz AJXCRIWWCIWEGK-AAOUONPWSA-N 1 2 232.302 2.930 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000271109190 351401187 /nfs/dbraw/zinc/40/11/87/351401187.db2.gz AJXCRIWWCIWEGK-AAOUONPWSA-N 1 2 232.302 2.930 20 30 BFEDLO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1F ZINC000271116795 351402163 /nfs/dbraw/zinc/40/21/63/351402163.db2.gz FTHSIUUWJBQAIR-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1F ZINC000271116795 351402166 /nfs/dbraw/zinc/40/21/66/351402166.db2.gz FTHSIUUWJBQAIR-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO CC(C)[C@H](O)C1(C/[NH+]=C/c2ccccc2O)CC1 ZINC000271834992 351440116 /nfs/dbraw/zinc/44/01/16/351440116.db2.gz RSFYFCVVJZPPHH-FSEGOYHTSA-N 1 2 247.338 2.608 20 30 BFEDLO C[C@H]1C[C@@H](C/[NH+]=C/c2ccccc2O)CCO1 ZINC000271260117 351409794 /nfs/dbraw/zinc/40/97/94/351409794.db2.gz IKQNXEJPHUOTSK-ZQVVPALOSA-N 1 2 233.311 2.626 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000274303044 351566665 /nfs/dbraw/zinc/56/66/65/351566665.db2.gz RGUXDKCWQJMPLX-MDZLAQPJSA-N 1 2 232.327 2.994 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000274303044 351566670 /nfs/dbraw/zinc/56/66/70/351566670.db2.gz RGUXDKCWQJMPLX-MDZLAQPJSA-N 1 2 232.327 2.994 20 30 BFEDLO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)nc1 ZINC000405069308 351580811 /nfs/dbraw/zinc/58/08/11/351580811.db2.gz DADIIKJZVIWYGE-UHFFFAOYSA-N 1 2 229.327 2.564 20 30 BFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(F)cn1 ZINC000276330489 351616799 /nfs/dbraw/zinc/61/67/99/351616799.db2.gz GPBVFAWZNRGXPH-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(F)cn1 ZINC000276330489 351616803 /nfs/dbraw/zinc/61/68/03/351616803.db2.gz GPBVFAWZNRGXPH-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO C=CC[NH+](CC=C)[C@@H](c1nccn1C)C1CC1 ZINC000637832685 351682313 /nfs/dbraw/zinc/68/23/13/351682313.db2.gz KUNXHCHLZOPTMH-CYBMUJFWSA-N 1 2 231.343 2.545 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(C)C ZINC000289400521 352183629 /nfs/dbraw/zinc/18/36/29/352183629.db2.gz OOIHQUQXUZBXBT-GFCCVEGCSA-N 1 2 237.730 2.793 20 30 BFEDLO CCOCC(C)(C)C/[NH+]=C/c1ccccc1O ZINC000289868180 352200405 /nfs/dbraw/zinc/20/04/05/352200405.db2.gz HGNYLVQKTKOXJL-OQLLNIDSSA-N 1 2 235.327 2.874 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccccc1OC1CC1 ZINC000290178823 352213177 /nfs/dbraw/zinc/21/31/77/352213177.db2.gz YYQLIECMSITDEU-LBPRGKRZSA-N 1 2 244.338 2.962 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000290178823 352213179 /nfs/dbraw/zinc/21/31/79/352213179.db2.gz YYQLIECMSITDEU-LBPRGKRZSA-N 1 2 244.338 2.962 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)C/C=C\c1ccccc1 ZINC000214058721 363122761 /nfs/dbraw/zinc/12/27/61/363122761.db2.gz ULEWIFOAKGAANQ-XURPKSDJSA-N 1 2 214.312 2.934 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)C/C=C\c1ccccc1 ZINC000214058721 363122768 /nfs/dbraw/zinc/12/27/68/363122768.db2.gz ULEWIFOAKGAANQ-XURPKSDJSA-N 1 2 214.312 2.934 20 30 BFEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)OCC ZINC000411139920 191163596 /nfs/dbraw/zinc/16/35/96/191163596.db2.gz YURLUAPNPQDBED-ZDUSSCGKSA-N 1 2 247.338 2.626 20 30 BFEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)OCC ZINC000411139920 191163598 /nfs/dbraw/zinc/16/35/98/191163598.db2.gz YURLUAPNPQDBED-ZDUSSCGKSA-N 1 2 247.338 2.626 20 30 BFEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(F)F ZINC000389482097 352351764 /nfs/dbraw/zinc/35/17/64/352351764.db2.gz WLOPLPCTRNEVQD-VIFPVBQESA-N 1 2 224.254 2.692 20 30 BFEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000411637554 191201381 /nfs/dbraw/zinc/20/13/81/191201381.db2.gz YWEZVJGTJBCUMO-ZJUUUORDSA-N 1 2 216.275 2.656 20 30 BFEDLO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000411637554 191201383 /nfs/dbraw/zinc/20/13/83/191201383.db2.gz YWEZVJGTJBCUMO-ZJUUUORDSA-N 1 2 216.275 2.656 20 30 BFEDLO C[C@H](CCC#N)[N@@H+]1CCOc2cccc(F)c2C1 ZINC000411686452 191204265 /nfs/dbraw/zinc/20/42/65/191204265.db2.gz DCSFMVJVPVKGFX-LLVKDONJSA-N 1 2 248.301 2.712 20 30 BFEDLO C[C@H](CCC#N)[N@H+]1CCOc2cccc(F)c2C1 ZINC000411686452 191204268 /nfs/dbraw/zinc/20/42/68/191204268.db2.gz DCSFMVJVPVKGFX-LLVKDONJSA-N 1 2 248.301 2.712 20 30 BFEDLO C[C@@H](CCC#N)[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000411700692 191204705 /nfs/dbraw/zinc/20/47/05/191204705.db2.gz VHPLMXNDWBFUQC-NSHDSACASA-N 1 2 248.301 2.712 20 30 BFEDLO C[C@@H](CCC#N)[N@H+]1CCOc2ccc(F)cc2C1 ZINC000411700692 191204707 /nfs/dbraw/zinc/20/47/07/191204707.db2.gz VHPLMXNDWBFUQC-NSHDSACASA-N 1 2 248.301 2.712 20 30 BFEDLO C[N@H+](CCC#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000411742386 191207618 /nfs/dbraw/zinc/20/76/18/191207618.db2.gz GIQZMXCVHBJSBQ-ZJUUUORDSA-N 1 2 234.265 2.953 20 30 BFEDLO C[N@@H+](CCC#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000411742386 191207619 /nfs/dbraw/zinc/20/76/19/191207619.db2.gz GIQZMXCVHBJSBQ-ZJUUUORDSA-N 1 2 234.265 2.953 20 30 BFEDLO C=CCC[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000320315262 259427562 /nfs/dbraw/zinc/42/75/62/259427562.db2.gz VKEAYEWWCUJPAN-CYBMUJFWSA-N 1 2 242.322 2.974 20 30 BFEDLO C[C@@H]1c2ccsc2CC[N@H+]1CC1(C#N)CC1 ZINC000334197689 352789741 /nfs/dbraw/zinc/78/97/41/352789741.db2.gz JEIJIMZZYHFXEC-SNVBAGLBSA-N 1 2 232.352 2.971 20 30 BFEDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC1(C#N)CC1 ZINC000334197689 352789744 /nfs/dbraw/zinc/78/97/44/352789744.db2.gz JEIJIMZZYHFXEC-SNVBAGLBSA-N 1 2 232.352 2.971 20 30 BFEDLO C=C1CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC000334281529 352921753 /nfs/dbraw/zinc/92/17/53/352921753.db2.gz SPJADHWRSOHKLM-LLVKDONJSA-N 1 2 206.289 2.696 20 30 BFEDLO N#Cc1ccc(SCCn2cc[nH+]c2)cc1 ZINC000338152959 188016796 /nfs/dbraw/zinc/01/67/96/188016796.db2.gz FCLBBQWNXGVTFF-UHFFFAOYSA-N 1 2 229.308 2.547 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1OC ZINC000052895788 353217458 /nfs/dbraw/zinc/21/74/58/353217458.db2.gz KQVVMROWQAUZMJ-UHFFFAOYSA-N 1 2 225.719 2.880 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1OC ZINC000052895788 353217463 /nfs/dbraw/zinc/21/74/63/353217463.db2.gz KQVVMROWQAUZMJ-UHFFFAOYSA-N 1 2 225.719 2.880 20 30 BFEDLO CC[C@H](NC(=O)C1=CCCC1)c1[nH]cc[nH+]1 ZINC000330983182 353209179 /nfs/dbraw/zinc/20/91/79/353209179.db2.gz KIJKFICAMYZUAH-JTQLQIEISA-N 1 2 219.288 2.928 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000161744914 353295530 /nfs/dbraw/zinc/29/55/30/353295530.db2.gz FWAZGWPOXKNGOB-QMMMGPOBSA-N 1 2 214.671 2.624 20 30 BFEDLO C=C(C)[C@@H](CC(=O)Nc1cc[nH+]c(C)c1)OCC ZINC000270101074 188261872 /nfs/dbraw/zinc/26/18/72/188261872.db2.gz ZOVRNBRHHSVEOZ-CYBMUJFWSA-N 1 2 248.326 2.700 20 30 BFEDLO C=C1CC[NH+](Cc2cn(C)nc2C(F)F)CC1 ZINC000274513530 188264882 /nfs/dbraw/zinc/26/48/82/188264882.db2.gz VZSDOIMURWXDGH-UHFFFAOYSA-N 1 2 241.285 2.510 20 30 BFEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1 ZINC000264480006 188259568 /nfs/dbraw/zinc/25/95/68/188259568.db2.gz PRQSTMPKYHYBCQ-UHFFFAOYSA-N 1 2 244.338 2.586 20 30 BFEDLO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)o1 ZINC000336772269 353319948 /nfs/dbraw/zinc/31/99/48/353319948.db2.gz XZUGEMUWFAFYFJ-JTQLQIEISA-N 1 2 204.273 2.542 20 30 BFEDLO C=C(Cl)C[NH+]1CCN(c2cccs2)CC1 ZINC000131413612 353367494 /nfs/dbraw/zinc/36/74/94/353367494.db2.gz NIENLZKIMZXBBO-UHFFFAOYSA-N 1 2 242.775 2.623 20 30 BFEDLO C#CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000076909688 353347422 /nfs/dbraw/zinc/34/74/22/353347422.db2.gz DEZVVVDZHHNNCK-INIZCTEOSA-N 1 2 236.318 2.526 20 30 BFEDLO C#CC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000076909688 353347424 /nfs/dbraw/zinc/34/74/24/353347424.db2.gz DEZVVVDZHHNNCK-INIZCTEOSA-N 1 2 236.318 2.526 20 30 BFEDLO C#C[C@H](C)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000289319115 353622122 /nfs/dbraw/zinc/62/21/22/353622122.db2.gz FNDRYOVJDYYRAZ-AAEUAGOBSA-N 1 2 237.293 2.864 20 30 BFEDLO C#Cc1ccc(C[N@H+](CC)CC(F)F)cc1 ZINC000290312133 353655290 /nfs/dbraw/zinc/65/52/90/353655290.db2.gz IUDSVYMVJBSKOS-UHFFFAOYSA-N 1 2 223.266 2.755 20 30 BFEDLO C#Cc1ccc(C[N@@H+](CC)CC(F)F)cc1 ZINC000290312133 353655291 /nfs/dbraw/zinc/65/52/91/353655291.db2.gz IUDSVYMVJBSKOS-UHFFFAOYSA-N 1 2 223.266 2.755 20 30 BFEDLO CC#CC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000293155932 353735519 /nfs/dbraw/zinc/73/55/19/353735519.db2.gz OKGMSACJJCVSBP-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000293155932 353735524 /nfs/dbraw/zinc/73/55/24/353735524.db2.gz OKGMSACJJCVSBP-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C#CC[N@@H+](Cc1cccc(O)c1Cl)C1CC1 ZINC000293647471 353759084 /nfs/dbraw/zinc/75/90/84/353759084.db2.gz OLRFJTXMSJZSQA-UHFFFAOYSA-N 1 2 235.714 2.643 20 30 BFEDLO C#CC[N@H+](Cc1cccc(O)c1Cl)C1CC1 ZINC000293647471 353759086 /nfs/dbraw/zinc/75/90/86/353759086.db2.gz OLRFJTXMSJZSQA-UHFFFAOYSA-N 1 2 235.714 2.643 20 30 BFEDLO C=CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000294439215 353778179 /nfs/dbraw/zinc/77/81/79/353778179.db2.gz VCZBATWQCQVZGR-LLVKDONJSA-N 1 2 248.355 2.511 20 30 BFEDLO C=CC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000185000267 353739746 /nfs/dbraw/zinc/73/97/46/353739746.db2.gz DEBYLONFCQKYNF-TZMCWYRMSA-N 1 2 247.338 2.763 20 30 BFEDLO N#CCC[N@H+](Cc1cccs1)C1CC1 ZINC000042240458 181037723 /nfs/dbraw/zinc/03/77/23/181037723.db2.gz IIRGXVJGKRWIHI-UHFFFAOYSA-N 1 2 206.314 2.626 20 30 BFEDLO N#CCC[N@@H+](Cc1cccs1)C1CC1 ZINC000042240458 181037725 /nfs/dbraw/zinc/03/77/25/181037725.db2.gz IIRGXVJGKRWIHI-UHFFFAOYSA-N 1 2 206.314 2.626 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](CCC)CCCC)C(=O)OC ZINC000301019280 363296694 /nfs/dbraw/zinc/29/66/94/363296694.db2.gz JHNASJZLPVWQCP-RYUDHWBXSA-N 1 2 227.348 2.663 20 30 BFEDLO C=C[C@H]([NH2+][C@H](CCC)CCCC)C(=O)OC ZINC000301019278 363296773 /nfs/dbraw/zinc/29/67/73/363296773.db2.gz JHNASJZLPVWQCP-NEPJUHHUSA-N 1 2 227.348 2.663 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000344446469 354260137 /nfs/dbraw/zinc/26/01/37/354260137.db2.gz BMFJBIDIHKVEML-RYUDHWBXSA-N 1 2 247.342 2.676 20 30 BFEDLO CCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000334604654 354285256 /nfs/dbraw/zinc/28/52/56/354285256.db2.gz XVVSVAZEHAMFMP-KBPBESRZSA-N 1 2 236.359 2.714 20 30 BFEDLO CCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000334604654 354285259 /nfs/dbraw/zinc/28/52/59/354285259.db2.gz XVVSVAZEHAMFMP-KBPBESRZSA-N 1 2 236.359 2.714 20 30 BFEDLO N#Cc1ccc(F)c(CNc2cccc[nH+]2)c1 ZINC000078474767 181112656 /nfs/dbraw/zinc/11/26/56/181112656.db2.gz LBERVLOKFNYHOH-UHFFFAOYSA-N 1 2 227.242 2.704 20 30 BFEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(C(F)F)CC1)CC2 ZINC000336373944 181132396 /nfs/dbraw/zinc/13/23/96/181132396.db2.gz QTHRFYLGDAALBZ-LBPRGKRZSA-N 1 2 248.276 2.933 20 30 BFEDLO C=C[C@@H](C(=O)OC)[N@H+](CCC)Cc1ccccc1 ZINC000383679451 354895996 /nfs/dbraw/zinc/89/59/96/354895996.db2.gz WGOYAXRVRVVNDS-AWEZNQCLSA-N 1 2 247.338 2.626 20 30 BFEDLO C=C[C@@H](C(=O)OC)[N@@H+](CCC)Cc1ccccc1 ZINC000383679451 354896000 /nfs/dbraw/zinc/89/60/00/354896000.db2.gz WGOYAXRVRVVNDS-AWEZNQCLSA-N 1 2 247.338 2.626 20 30 BFEDLO CCC[N@H+](CC#N)[C@@H]1CCc2ccccc21 ZINC000299339892 535274224 /nfs/dbraw/zinc/27/42/24/535274224.db2.gz ACWXSRYIMREACH-CQSZACIVSA-N 1 2 214.312 2.909 20 30 BFEDLO CCC[N@@H+](CC#N)[C@@H]1CCc2ccccc21 ZINC000299339892 535274225 /nfs/dbraw/zinc/27/42/25/535274225.db2.gz ACWXSRYIMREACH-CQSZACIVSA-N 1 2 214.312 2.909 20 30 BFEDLO C=CCSCc1cc(OC)cc(C)[nH+]1 ZINC000346601992 354990282 /nfs/dbraw/zinc/99/02/82/354990282.db2.gz LOSVCPRULQOAMC-UHFFFAOYSA-N 1 2 209.314 2.818 20 30 BFEDLO C=C(C)C(C)(C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000335194090 355027555 /nfs/dbraw/zinc/02/75/55/355027555.db2.gz KETRFYLKOJPYEL-UHFFFAOYSA-N 1 2 247.342 2.760 20 30 BFEDLO C=C(C)CN(CC)c1[nH+]c2ccccc2n1C ZINC000179281706 366236359 /nfs/dbraw/zinc/23/63/59/366236359.db2.gz JKFUYOBTLKXRMX-UHFFFAOYSA-N 1 2 229.327 2.976 20 30 BFEDLO Cc1ccc2[nH+]c(CSCCC#N)cn2c1 ZINC000413010903 191339752 /nfs/dbraw/zinc/33/97/52/191339752.db2.gz ICPBWLXXRLTQIA-UHFFFAOYSA-N 1 2 231.324 2.790 20 30 BFEDLO C=CC[C@H](CC)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413261186 191367344 /nfs/dbraw/zinc/36/73/44/191367344.db2.gz DLHHEPOUEKLUND-JTQLQIEISA-N 1 2 232.331 2.818 20 30 BFEDLO C=CC[C@H](CC)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413261186 191367347 /nfs/dbraw/zinc/36/73/47/191367347.db2.gz DLHHEPOUEKLUND-JTQLQIEISA-N 1 2 232.331 2.818 20 30 BFEDLO CCC[N@H+](CC#N)C[C@@H](C)CC1CCOCC1 ZINC000349974647 355553600 /nfs/dbraw/zinc/55/36/00/355553600.db2.gz MVDCAFMKWAAMTK-ZDUSSCGKSA-N 1 2 238.375 2.675 20 30 BFEDLO CCC[N@@H+](CC#N)C[C@@H](C)CC1CCOCC1 ZINC000349974647 355553602 /nfs/dbraw/zinc/55/36/02/355553602.db2.gz MVDCAFMKWAAMTK-ZDUSSCGKSA-N 1 2 238.375 2.675 20 30 BFEDLO C=C(C)CN(C)c1[nH+]c2ccccc2n1C ZINC000349905012 355522863 /nfs/dbraw/zinc/52/28/63/355522863.db2.gz RXLMNGPWQIKKOM-UHFFFAOYSA-N 1 2 215.300 2.586 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Cl)o1 ZINC000352093007 134061294 /nfs/dbraw/zinc/06/12/94/134061294.db2.gz 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ZINC000054179707 385596989 /nfs/dbraw/zinc/59/69/89/385596989.db2.gz QUOGIPKUZRMDMF-SNVBAGLBSA-N 1 2 214.268 2.682 20 30 BFEDLO CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)C#N ZINC000054180911 385599869 /nfs/dbraw/zinc/59/98/69/385599869.db2.gz ILYWCIPKKOTUGI-LBPRGKRZSA-N 1 2 232.327 2.723 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)C/C=C\c1ccccc1 ZINC000208718777 385611438 /nfs/dbraw/zinc/61/14/38/385611438.db2.gz LQGUANBPJMPLDM-OYVUYXNMSA-N 1 2 214.312 2.791 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)C/C=C\c1ccccc1 ZINC000208718777 385611440 /nfs/dbraw/zinc/61/14/40/385611440.db2.gz LQGUANBPJMPLDM-OYVUYXNMSA-N 1 2 214.312 2.791 20 30 BFEDLO CC[N@H+](C[C@H]1CCC(F)(F)C1)[C@@H](C)C#N ZINC000595821734 385640780 /nfs/dbraw/zinc/64/07/80/385640780.db2.gz ZZDNMRSXUITYPB-UWVGGRQHSA-N 1 2 216.275 2.656 20 30 BFEDLO CC[N@@H+](C[C@H]1CCC(F)(F)C1)[C@@H](C)C#N ZINC000595821734 385640789 /nfs/dbraw/zinc/64/07/89/385640789.db2.gz ZZDNMRSXUITYPB-UWVGGRQHSA-N 1 2 216.275 2.656 20 30 BFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ncccc1O ZINC000571602783 385804852 /nfs/dbraw/zinc/80/48/52/385804852.db2.gz XMCZOWAXPLCETE-UHFFFAOYSA-N 1 2 247.342 2.549 20 30 BFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ncccc1O ZINC000571602783 385804854 /nfs/dbraw/zinc/80/48/54/385804854.db2.gz XMCZOWAXPLCETE-UHFFFAOYSA-N 1 2 247.342 2.549 20 30 BFEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000424881842 385919391 /nfs/dbraw/zinc/91/93/91/385919391.db2.gz XZRHNJADPVNFAP-LLVKDONJSA-N 1 2 249.358 2.683 20 30 BFEDLO N#CC1(C[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000334448542 386083456 /nfs/dbraw/zinc/08/34/56/386083456.db2.gz REBLFNUWTVEYFL-UHFFFAOYSA-N 1 2 232.249 2.564 20 30 BFEDLO CCc1cnc(C[N@H+](C)[C@H](C)CCC#N)s1 ZINC000276351330 386307286 /nfs/dbraw/zinc/30/72/86/386307286.db2.gz WMVOOTTUOAXLOI-SNVBAGLBSA-N 1 2 237.372 2.830 20 30 BFEDLO CCc1cnc(C[N@@H+](C)[C@H](C)CCC#N)s1 ZINC000276351330 386307290 /nfs/dbraw/zinc/30/72/90/386307290.db2.gz WMVOOTTUOAXLOI-SNVBAGLBSA-N 1 2 237.372 2.830 20 30 BFEDLO C[C@]1(F)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000347395442 386382424 /nfs/dbraw/zinc/38/24/24/386382424.db2.gz XIGWIOIRZPFYDT-AWEZNQCLSA-N 1 2 235.277 2.611 20 30 BFEDLO C[C@]1(F)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000347395442 386382426 /nfs/dbraw/zinc/38/24/26/386382426.db2.gz XIGWIOIRZPFYDT-AWEZNQCLSA-N 1 2 235.277 2.611 20 30 BFEDLO N#CC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000123663176 386559567 /nfs/dbraw/zinc/55/95/67/386559567.db2.gz FZPNHHKXWXVESF-UHFFFAOYSA-N 1 2 236.265 2.700 20 30 BFEDLO CCCC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000328951104 386650046 /nfs/dbraw/zinc/65/00/46/386650046.db2.gz NNPOGKBWDHKQIR-JTQLQIEISA-N 1 2 247.342 2.804 20 30 BFEDLO CCCC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000328951104 386650051 /nfs/dbraw/zinc/65/00/51/386650051.db2.gz NNPOGKBWDHKQIR-JTQLQIEISA-N 1 2 247.342 2.804 20 30 BFEDLO C=CCC[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000320557060 386615304 /nfs/dbraw/zinc/61/53/04/386615304.db2.gz SZIDCBTVTSVBGE-GFCCVEGCSA-N 1 2 249.358 2.647 20 30 BFEDLO Cc1cc(N2C[C@H](C)C[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399543418 386991089 /nfs/dbraw/zinc/99/10/89/386991089.db2.gz XSVHUBXJAZZJLQ-PHIMTYICSA-N 1 2 229.327 2.744 20 30 BFEDLO CC[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399549987 387002057 /nfs/dbraw/zinc/00/20/57/387002057.db2.gz ZOYYWKVTSZDWAL-LBPRGKRZSA-N 1 2 229.327 2.888 20 30 BFEDLO CCC[C@@H](CC)Nc1cc(C)[nH+]cc1C#N ZINC000399591439 387033277 /nfs/dbraw/zinc/03/32/77/387033277.db2.gz PKNCZQKXGPHGPZ-GFCCVEGCSA-N 1 2 217.316 2.674 20 30 BFEDLO CCC1(CC)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399416785 387059294 /nfs/dbraw/zinc/05/92/94/387059294.db2.gz GHGAGFFGMBMPPP-UHFFFAOYSA-N 1 2 229.327 2.888 20 30 BFEDLO Cc1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000223665403 387063775 /nfs/dbraw/zinc/06/37/75/387063775.db2.gz NRUCKJYJASGJAB-LLVKDONJSA-N 1 2 241.294 2.706 20 30 BFEDLO Cc1cc(NCCC(C)(C)C)c(C#N)c[nH+]1 ZINC000399565269 387011619 /nfs/dbraw/zinc/01/16/19/387011619.db2.gz GQJUEGQIXJRVIF-UHFFFAOYSA-N 1 2 217.316 2.532 20 30 BFEDLO C=C(C)C[N@@H+](CC)[C@@H](C(=O)OC)c1ccccc1 ZINC000152521997 387130777 /nfs/dbraw/zinc/13/07/77/387130777.db2.gz ZCTQAYCRBXNGNS-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C(C)C[N@H+](CC)[C@@H](C(=O)OC)c1ccccc1 ZINC000152521997 387130784 /nfs/dbraw/zinc/13/07/84/387130784.db2.gz ZCTQAYCRBXNGNS-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO Cc1cc(N2C[C@@H]3CCCC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000399450752 387109533 /nfs/dbraw/zinc/10/95/33/387109533.db2.gz NCVUXBUBBSLSKX-BETUJISGSA-N 1 2 241.338 2.888 20 30 BFEDLO C=C(Cl)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270255424 387427616 /nfs/dbraw/zinc/42/76/16/387427616.db2.gz YDJNMZRCZLGRPI-UHFFFAOYSA-N 1 2 225.641 2.933 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270255424 387427623 /nfs/dbraw/zinc/42/76/23/387427623.db2.gz YDJNMZRCZLGRPI-UHFFFAOYSA-N 1 2 225.641 2.933 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1cccc(F)c1O ZINC000272311799 387450721 /nfs/dbraw/zinc/45/07/21/387450721.db2.gz RTEIOMKPUXZNHM-UHFFFAOYSA-N 1 2 223.291 2.929 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1cccc(F)c1O ZINC000272311799 387450727 /nfs/dbraw/zinc/45/07/27/387450727.db2.gz RTEIOMKPUXZNHM-UHFFFAOYSA-N 1 2 223.291 2.929 20 30 BFEDLO C=C1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000264460170 387390993 /nfs/dbraw/zinc/39/09/93/387390993.db2.gz KDJDWLLSSSPVPY-UHFFFAOYSA-N 1 2 222.357 2.858 20 30 BFEDLO C=CC[N@@H+](C)Cc1nc(CCC)cs1 ZINC000426353845 387559351 /nfs/dbraw/zinc/55/93/51/387559351.db2.gz RBPVWOBAIALUAV-UHFFFAOYSA-N 1 2 210.346 2.713 20 30 BFEDLO C=CC[N@H+](C)Cc1nc(CCC)cs1 ZINC000426353845 387559353 /nfs/dbraw/zinc/55/93/53/387559353.db2.gz RBPVWOBAIALUAV-UHFFFAOYSA-N 1 2 210.346 2.713 20 30 BFEDLO CC(C)(CCC#N)CNc1cccc[nH+]1 ZINC000157437978 387796263 /nfs/dbraw/zinc/79/62/63/387796263.db2.gz ZQJCYAZTUJKTFI-UHFFFAOYSA-N 1 2 203.289 2.823 20 30 BFEDLO C=CCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000176201853 387910935 /nfs/dbraw/zinc/91/09/35/387910935.db2.gz DDFSLELDQBFEPY-UHFFFAOYSA-N 1 2 218.300 2.993 20 30 BFEDLO Cc1cc(C)c(C[NH+]2CC(C)(C#N)C2)c(C)c1 ZINC000439011831 387973546 /nfs/dbraw/zinc/97/35/46/387973546.db2.gz RICWDJPJSPQSRU-UHFFFAOYSA-N 1 2 228.339 2.957 20 30 BFEDLO C=CC[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000445998921 387984982 /nfs/dbraw/zinc/98/49/82/387984982.db2.gz PJLFCJYYTXMAJL-UHFFFAOYSA-N 1 2 245.301 2.629 20 30 BFEDLO C=CC[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000445998921 387984985 /nfs/dbraw/zinc/98/49/85/387984985.db2.gz PJLFCJYYTXMAJL-UHFFFAOYSA-N 1 2 245.301 2.629 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1nn(C)c(C)c1Cl ZINC000421332725 388026725 /nfs/dbraw/zinc/02/67/25/388026725.db2.gz VRXVCWNZIOPFNX-UHFFFAOYSA-N 1 2 241.766 2.780 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1nn(C)c(C)c1Cl ZINC000421332725 388026728 /nfs/dbraw/zinc/02/67/28/388026728.db2.gz VRXVCWNZIOPFNX-UHFFFAOYSA-N 1 2 241.766 2.780 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449337695 388175883 /nfs/dbraw/zinc/17/58/83/388175883.db2.gz SMZYSJHVSQHKMP-UHFFFAOYSA-N 1 2 241.294 2.729 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449337695 388175886 /nfs/dbraw/zinc/17/58/86/388175886.db2.gz SMZYSJHVSQHKMP-UHFFFAOYSA-N 1 2 241.294 2.729 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456337677 388195180 /nfs/dbraw/zinc/19/51/80/388195180.db2.gz BHRFZWINMILLCU-FZMZJTMJSA-N 1 2 249.358 2.683 20 30 BFEDLO C=CCC(C)(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456354765 388196431 /nfs/dbraw/zinc/19/64/31/388196431.db2.gz NUPXSLQUTKDPIG-LLVKDONJSA-N 1 2 249.358 2.683 20 30 BFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456434586 388201250 /nfs/dbraw/zinc/20/12/50/388201250.db2.gz VBTHXLUPISWKBK-MISXGVKJSA-N 1 2 247.342 2.607 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(CC(C)C)no1 ZINC000489431247 388213472 /nfs/dbraw/zinc/21/34/72/388213472.db2.gz DTAVPTLTJHPXJR-GFCCVEGCSA-N 1 2 249.358 2.809 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CC(C)C)no1 ZINC000489431247 388213475 /nfs/dbraw/zinc/21/34/75/388213475.db2.gz DTAVPTLTJHPXJR-GFCCVEGCSA-N 1 2 249.358 2.809 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CC(C)C)no1 ZINC000489431249 388213555 /nfs/dbraw/zinc/21/35/55/388213555.db2.gz DTAVPTLTJHPXJR-LBPRGKRZSA-N 1 2 249.358 2.809 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CC(C)C)no1 ZINC000489431249 388213558 /nfs/dbraw/zinc/21/35/58/388213558.db2.gz DTAVPTLTJHPXJR-LBPRGKRZSA-N 1 2 249.358 2.809 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CCC)no1 ZINC000489505462 388219292 /nfs/dbraw/zinc/21/92/92/388219292.db2.gz CYLUVLHGGIFFOT-NSHDSACASA-N 1 2 235.331 2.563 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CCC)no1 ZINC000489505462 388219294 /nfs/dbraw/zinc/21/92/94/388219294.db2.gz CYLUVLHGGIFFOT-NSHDSACASA-N 1 2 235.331 2.563 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000491328021 388286090 /nfs/dbraw/zinc/28/60/90/388286090.db2.gz ZRJIRZZTOLDIMJ-QMMMGPOBSA-N 1 2 243.137 2.842 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000491328021 388286092 /nfs/dbraw/zinc/28/60/92/388286092.db2.gz ZRJIRZZTOLDIMJ-QMMMGPOBSA-N 1 2 243.137 2.842 20 30 BFEDLO C#C[C@H]([NH2+]Cc1ccccn1)c1ccc(F)cc1 ZINC000491351822 388287490 /nfs/dbraw/zinc/28/74/90/388287490.db2.gz VWDIQZRVCDNUDD-HNNXBMFYSA-N 1 2 240.281 2.685 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000491404601 388292252 /nfs/dbraw/zinc/29/22/52/388292252.db2.gz CTYQJJKZYBEVBV-SNVBAGLBSA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000491404601 388292254 /nfs/dbraw/zinc/29/22/54/388292254.db2.gz CTYQJJKZYBEVBV-SNVBAGLBSA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000491441647 388294804 /nfs/dbraw/zinc/29/48/04/388294804.db2.gz XCOSPEMGEMNSBY-MRVPVSSYSA-N 1 2 243.137 2.842 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000491441647 388294805 /nfs/dbraw/zinc/29/48/05/388294805.db2.gz XCOSPEMGEMNSBY-MRVPVSSYSA-N 1 2 243.137 2.842 20 30 BFEDLO N#CCCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451798723 388297370 /nfs/dbraw/zinc/29/73/70/388297370.db2.gz MLTHHCGDRAXYHO-AWEZNQCLSA-N 1 2 248.301 2.503 20 30 BFEDLO N#CCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451798723 388297372 /nfs/dbraw/zinc/29/73/72/388297372.db2.gz MLTHHCGDRAXYHO-AWEZNQCLSA-N 1 2 248.301 2.503 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CCC)n1 ZINC000491673716 388309832 /nfs/dbraw/zinc/30/98/32/388309832.db2.gz UUFCFYXOHZKKCY-SNVBAGLBSA-N 1 2 222.357 2.549 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CCC)n1 ZINC000491673716 388309833 /nfs/dbraw/zinc/30/98/33/388309833.db2.gz UUFCFYXOHZKKCY-SNVBAGLBSA-N 1 2 222.357 2.549 20 30 BFEDLO C#CC[N@@H+](Cc1nc2ccc(F)cc2o1)C1CC1 ZINC000491774949 388319660 /nfs/dbraw/zinc/31/96/60/388319660.db2.gz WKCVYZWUEQIGFC-UHFFFAOYSA-N 1 2 244.269 2.565 20 30 BFEDLO C#CC[N@H+](Cc1nc2ccc(F)cc2o1)C1CC1 ZINC000491774949 388319661 /nfs/dbraw/zinc/31/96/61/388319661.db2.gz WKCVYZWUEQIGFC-UHFFFAOYSA-N 1 2 244.269 2.565 20 30 BFEDLO CS[C@@H]1CCCC[N@@H+](C(C)(C)C#N)C1 ZINC000161972538 388345192 /nfs/dbraw/zinc/34/51/92/388345192.db2.gz SDIJWNSMSHKTQN-SNVBAGLBSA-N 1 2 212.362 2.506 20 30 BFEDLO CS[C@@H]1CCCC[N@H+](C(C)(C)C#N)C1 ZINC000161972538 388345193 /nfs/dbraw/zinc/34/51/93/388345193.db2.gz SDIJWNSMSHKTQN-SNVBAGLBSA-N 1 2 212.362 2.506 20 30 BFEDLO CC(F)(F)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000556229196 388351647 /nfs/dbraw/zinc/35/16/47/388351647.db2.gz KTMKPRQXLIUSKZ-LBPRGKRZSA-N 1 2 236.265 2.790 20 30 BFEDLO Cn1c[nH+]cc1CNc1ccc(C#N)c(Cl)c1 ZINC000090165293 388394505 /nfs/dbraw/zinc/39/45/05/388394505.db2.gz CASKTSWAWOANQQ-UHFFFAOYSA-N 1 2 246.701 2.557 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1c(F)cccc1F ZINC000164687248 388397626 /nfs/dbraw/zinc/39/76/26/388397626.db2.gz AZNPCXZHRXLTFX-UHFFFAOYSA-N 1 2 224.254 2.604 20 30 BFEDLO COCC[N@H+](CC#N)C[C@@H](C)C1CCCCC1 ZINC000316998612 388425388 /nfs/dbraw/zinc/42/53/88/388425388.db2.gz MYFMCOZEYJVQGV-CYBMUJFWSA-N 1 2 238.375 2.675 20 30 BFEDLO COCC[N@@H+](CC#N)C[C@@H](C)C1CCCCC1 ZINC000316998612 388425391 /nfs/dbraw/zinc/42/53/91/388425391.db2.gz MYFMCOZEYJVQGV-CYBMUJFWSA-N 1 2 238.375 2.675 20 30 BFEDLO Cc1c[nH+]ccc1NC(=O)c1ccc(C#N)cc1 ZINC000107038748 388599201 /nfs/dbraw/zinc/59/92/01/388599201.db2.gz CUTWWSGJUOTMDS-UHFFFAOYSA-N 1 2 237.262 2.514 20 30 BFEDLO C#CC[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000192225617 388677465 /nfs/dbraw/zinc/67/74/65/388677465.db2.gz VJJLBAQKVXQALQ-UHFFFAOYSA-N 1 2 244.269 2.546 20 30 BFEDLO C#CC[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000192225617 388677467 /nfs/dbraw/zinc/67/74/67/388677467.db2.gz VJJLBAQKVXQALQ-UHFFFAOYSA-N 1 2 244.269 2.546 20 30 BFEDLO CC(C)C(C[N@H+](CC#N)C1CC1)C(C)C ZINC000551554486 388633620 /nfs/dbraw/zinc/63/36/20/388633620.db2.gz JLXWVYQVRZGELZ-UHFFFAOYSA-N 1 2 208.349 2.903 20 30 BFEDLO CC(C)C(C[N@@H+](CC#N)C1CC1)C(C)C ZINC000551554486 388633621 /nfs/dbraw/zinc/63/36/21/388633621.db2.gz JLXWVYQVRZGELZ-UHFFFAOYSA-N 1 2 208.349 2.903 20 30 BFEDLO C[N@H+](Cc1nccs1)Cc1cccc(C#N)c1 ZINC000093097832 388739784 /nfs/dbraw/zinc/73/97/84/388739784.db2.gz PUZJOIDGXVZPEA-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C[N@@H+](Cc1nccs1)Cc1cccc(C#N)c1 ZINC000093097832 388739786 /nfs/dbraw/zinc/73/97/86/388739786.db2.gz PUZJOIDGXVZPEA-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C=C(CC)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000539423504 388758097 /nfs/dbraw/zinc/75/80/97/388758097.db2.gz LVGSBTKDSCPTTD-GFCCVEGCSA-N 1 2 241.375 2.909 20 30 BFEDLO CCc1ccc(C[N@H+](CC)CCC#N)o1 ZINC000127625739 388727963 /nfs/dbraw/zinc/72/79/63/388727963.db2.gz FQWGEUWAPRTKQY-UHFFFAOYSA-N 1 2 206.289 2.578 20 30 BFEDLO CCc1ccc(C[N@@H+](CC)CCC#N)o1 ZINC000127625739 388727965 /nfs/dbraw/zinc/72/79/65/388727965.db2.gz FQWGEUWAPRTKQY-UHFFFAOYSA-N 1 2 206.289 2.578 20 30 BFEDLO Cc1occc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000092438581 388855684 /nfs/dbraw/zinc/85/56/84/388855684.db2.gz BBYJLKLVUYWEDO-UHFFFAOYSA-N 1 2 230.267 2.685 20 30 BFEDLO Cc1occc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000092438581 388855691 /nfs/dbraw/zinc/85/56/91/388855691.db2.gz BBYJLKLVUYWEDO-UHFFFAOYSA-N 1 2 230.267 2.685 20 30 BFEDLO N#Cc1cccnc1/C=C/c1cccc2[nH+]ccn21 ZINC000352019944 134037030 /nfs/dbraw/zinc/03/70/30/134037030.db2.gz DOEKSJAZZFMXDB-VOTSOKGWSA-N 1 2 246.273 2.771 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Cl)o1 ZINC000352093007 134061293 /nfs/dbraw/zinc/06/12/93/134061293.db2.gz ZRXRVYHEVZDVBD-QMMMGPOBSA-N 1 2 212.680 2.524 20 30 BFEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC12CCC2 ZINC000336109982 134085903 /nfs/dbraw/zinc/08/59/03/134085903.db2.gz FHCGITCFGRUXKW-UHFFFAOYSA-N 1 2 230.286 2.826 20 30 BFEDLO N#Cc1c(F)cccc1C[N@H+]1CCC12CCC2 ZINC000336109982 134085904 /nfs/dbraw/zinc/08/59/04/134085904.db2.gz FHCGITCFGRUXKW-UHFFFAOYSA-N 1 2 230.286 2.826 20 30 BFEDLO C#CCCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000301822281 134157032 /nfs/dbraw/zinc/15/70/32/134157032.db2.gz KNGWOFWXRPYTKI-UHFFFAOYSA-N 1 2 244.342 2.514 20 30 BFEDLO C#CCCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000301822281 134157033 /nfs/dbraw/zinc/15/70/33/134157033.db2.gz KNGWOFWXRPYTKI-UHFFFAOYSA-N 1 2 244.342 2.514 20 30 BFEDLO C=C(C)CN(CC)c1cc[nH+]c(C2CC2)n1 ZINC000112964389 134161389 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135150571 /nfs/dbraw/zinc/15/05/71/135150571.db2.gz JQFRDLDNWJHMAL-LLVKDONJSA-N 1 2 247.298 2.891 20 30 BFEDLO Cc1cnc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)s1 ZINC000267480023 135154662 /nfs/dbraw/zinc/15/46/62/135154662.db2.gz SYGGQTNQNNBAPS-WDEREUQCSA-N 1 2 248.355 2.546 20 30 BFEDLO N#CC[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000294941633 135187982 /nfs/dbraw/zinc/18/79/82/135187982.db2.gz IIQWAGBKEZGKNL-JQWIXIFHSA-N 1 2 242.326 2.848 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cccc(O)c1Cl ZINC000295232526 135189064 /nfs/dbraw/zinc/18/90/64/135189064.db2.gz DBICMUYZAJXDFA-UHFFFAOYSA-N 1 2 223.703 2.501 20 30 BFEDLO C#CC[N@H+](CC)Cc1cccc(O)c1Cl ZINC000295232526 135189066 /nfs/dbraw/zinc/18/90/66/135189066.db2.gz DBICMUYZAJXDFA-UHFFFAOYSA-N 1 2 223.703 2.501 20 30 BFEDLO CC(=O)c1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000296827997 135193551 /nfs/dbraw/zinc/19/35/51/135193551.db2.gz RQLFEVYEWAOFKQ-LLVKDONJSA-N 1 2 230.311 2.623 20 30 BFEDLO CC(=O)c1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000296827997 135193553 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/nfs/dbraw/zinc/86/86/22/411868622.db2.gz KFUYVFFSQPBHRJ-UHFFFAOYSA-N 1 2 236.363 2.715 20 30 BFEDLO C[C@H]1C[C@@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000488344909 225382334 /nfs/dbraw/zinc/38/23/34/225382334.db2.gz GROHFXZTOWFAER-NWDGAFQWSA-N 1 2 218.300 2.651 20 30 BFEDLO C[C@H]1C[C@@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000488344909 225382338 /nfs/dbraw/zinc/38/23/38/225382338.db2.gz GROHFXZTOWFAER-NWDGAFQWSA-N 1 2 218.300 2.651 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1scnc1C1CC1 ZINC000495173624 226277891 /nfs/dbraw/zinc/27/78/91/226277891.db2.gz LRSXRDPLCOXZDV-SECBINFHSA-N 1 2 235.356 2.612 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1scnc1C1CC1 ZINC000495173624 226277892 /nfs/dbraw/zinc/27/78/92/226277892.db2.gz LRSXRDPLCOXZDV-SECBINFHSA-N 1 2 235.356 2.612 20 30 BFEDLO Cc1cc(N(C)CC2CCCC2)c(C#N)c[nH+]1 ZINC000399471344 262784258 /nfs/dbraw/zinc/78/42/58/262784258.db2.gz YWNNAIHEXPIFCP-UHFFFAOYSA-N 1 2 229.327 2.888 20 30 BFEDLO Cc1cc(N[C@H]2C[C@]2(C)C(C)C)c(C#N)c[nH+]1 ZINC000399463415 262784260 /nfs/dbraw/zinc/78/42/60/262784260.db2.gz WDJYLKQXEYOGRV-UONOGXRCSA-N 1 2 229.327 2.530 20 30 BFEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000671736774 487715890 /nfs/dbraw/zinc/71/58/90/487715890.db2.gz WWJSCOSGZNYCRP-UWVGGRQHSA-N 1 2 238.281 2.812 20 30 BFEDLO Cc1cc(N(C)CC(C)(C)C)c(C#N)c[nH+]1 ZINC000399399703 267332290 /nfs/dbraw/zinc/33/22/90/267332290.db2.gz RIEDHZSPVHQDCI-UHFFFAOYSA-N 1 2 217.316 2.744 20 30 BFEDLO C=CCCC(C)(C)NC(=O)Nc1cc[nH+]cc1C ZINC000666494176 487821592 /nfs/dbraw/zinc/82/15/92/487821592.db2.gz RMXFBPNHQJSIJS-UHFFFAOYSA-N 1 2 247.342 2.678 20 30 BFEDLO CC(C)Cc1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000555709501 322976938 /nfs/dbraw/zinc/97/69/38/322976938.db2.gz GBEVJSGXXANZBW-UHFFFAOYSA-N 1 2 249.383 2.735 20 30 BFEDLO N#CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000563705841 323174614 /nfs/dbraw/zinc/17/46/14/323174614.db2.gz GVYYPRMGNOUMCB-LBPRGKRZSA-N 1 2 234.274 2.543 20 30 BFEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cscn1 ZINC000162354561 323608178 /nfs/dbraw/zinc/60/81/78/323608178.db2.gz ASTMXYRYPLDEDZ-SNVBAGLBSA-N 1 2 243.335 2.866 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000529539588 324330674 /nfs/dbraw/zinc/33/06/74/324330674.db2.gz BGSWDWFRZPZUNG-SSDOTTSWSA-N 1 2 244.672 2.867 20 30 BFEDLO C=CCN(CC=C)c1cc(CC)[nH+]c(C)n1 ZINC000542906405 325061565 /nfs/dbraw/zinc/06/15/65/325061565.db2.gz VXCCFPLNIWMNGM-UHFFFAOYSA-N 1 2 217.316 2.526 20 30 BFEDLO CCC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000131991452 325194156 /nfs/dbraw/zinc/19/41/56/325194156.db2.gz JEROYBNHAVUUEH-OAHLLOKOSA-N 1 2 244.338 2.559 20 30 BFEDLO CCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000131991452 325194159 /nfs/dbraw/zinc/19/41/59/325194159.db2.gz JEROYBNHAVUUEH-OAHLLOKOSA-N 1 2 244.338 2.559 20 30 BFEDLO Cc1ncsc1CNc1cc(CC#N)cc[nH+]1 ZINC000545221093 325195227 /nfs/dbraw/zinc/19/52/27/325195227.db2.gz QYIKWBXKCRCUCM-UHFFFAOYSA-N 1 2 244.323 2.525 20 30 BFEDLO C=CCCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000132364108 325212780 /nfs/dbraw/zinc/21/27/80/325212780.db2.gz MZFYDRCQSPTFTJ-UHFFFAOYSA-N 1 2 244.382 2.689 20 30 BFEDLO FC(F)(F)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000564294067 325236275 /nfs/dbraw/zinc/23/62/75/325236275.db2.gz VFTSSDZVYXCBPR-UHFFFAOYSA-N 1 2 239.240 2.532 20 30 BFEDLO COc1cccc(Cl)c1C[NH2+]C[C@H](C)C#N ZINC000134110784 325343801 /nfs/dbraw/zinc/34/38/01/325343801.db2.gz LHGWDHNWEWPULO-SECBINFHSA-N 1 2 238.718 2.598 20 30 BFEDLO C#CC[N@H+](Cc1nccs1)C1CCCC1 ZINC000135145090 325397098 /nfs/dbraw/zinc/39/70/98/325397098.db2.gz WGOKQAXVDDEKRS-UHFFFAOYSA-N 1 2 220.341 2.521 20 30 BFEDLO C#CC[N@@H+](Cc1nccs1)C1CCCC1 ZINC000135145090 325397100 /nfs/dbraw/zinc/39/71/00/325397100.db2.gz WGOKQAXVDDEKRS-UHFFFAOYSA-N 1 2 220.341 2.521 20 30 BFEDLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)n1 ZINC000135172617 325398637 /nfs/dbraw/zinc/39/86/37/325398637.db2.gz ALTLTGZCLWGCFG-SECBINFHSA-N 1 2 247.323 2.767 20 30 BFEDLO N#CCC[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000565467500 325914985 /nfs/dbraw/zinc/91/49/85/325914985.db2.gz NIUIWRXVGIHMIW-ZDUSSCGKSA-N 1 2 213.284 2.535 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1nc(C)c(C)s1 ZINC000567912915 326282487 /nfs/dbraw/zinc/28/24/87/326282487.db2.gz RKFGPROOURPJDY-SNVBAGLBSA-N 1 2 223.345 2.542 20 30 BFEDLO CC1(C#N)C[NH+](C[C@H]2CCCCC2(F)F)C1 ZINC000568103968 326308192 /nfs/dbraw/zinc/30/81/92/326308192.db2.gz ULJQICBOPXIDIK-SNVBAGLBSA-N 1 2 228.286 2.657 20 30 BFEDLO Cc1cnc(CNc2cc(CC#N)cc[nH+]2)s1 ZINC000568952380 326383435 /nfs/dbraw/zinc/38/34/35/326383435.db2.gz DYTXMBOEZXEMNO-UHFFFAOYSA-N 1 2 244.323 2.525 20 30 BFEDLO COc1cccc2c1C[N@H+](CC1(CC#N)CC1)C2 ZINC000602915182 488002219 /nfs/dbraw/zinc/00/22/19/488002219.db2.gz KDHNGTKDFKQPNS-UHFFFAOYSA-N 1 2 242.322 2.705 20 30 BFEDLO COc1cccc2c1C[N@@H+](CC1(CC#N)CC1)C2 ZINC000602915182 488002224 /nfs/dbraw/zinc/00/22/24/488002224.db2.gz KDHNGTKDFKQPNS-UHFFFAOYSA-N 1 2 242.322 2.705 20 30 BFEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1F ZINC000683020237 488096246 /nfs/dbraw/zinc/09/62/46/488096246.db2.gz NFPWWMYMYFATIN-HIFRSBDPSA-N 1 2 231.314 2.718 20 30 BFEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1F ZINC000683020237 488096251 /nfs/dbraw/zinc/09/62/51/488096251.db2.gz NFPWWMYMYFATIN-HIFRSBDPSA-N 1 2 231.314 2.718 20 30 BFEDLO C=C1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678241848 488224850 /nfs/dbraw/zinc/22/48/50/488224850.db2.gz GWPBCDFVDWKBFV-UHFFFAOYSA-N 1 2 245.301 2.625 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000491792863 490119445 /nfs/dbraw/zinc/11/94/45/490119445.db2.gz HUDKSHRKWPSGHY-SECBINFHSA-N 1 2 248.326 2.889 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000491792863 490119452 /nfs/dbraw/zinc/11/94/52/490119452.db2.gz HUDKSHRKWPSGHY-SECBINFHSA-N 1 2 248.326 2.889 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC(C)C)ccn1 ZINC000594008319 490140052 /nfs/dbraw/zinc/14/00/52/490140052.db2.gz NKPFHPQMRZUANI-LBPRGKRZSA-N 1 2 247.342 2.651 20 30 BFEDLO Cc1cncc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602981114 491088076 /nfs/dbraw/zinc/08/80/76/491088076.db2.gz ZSAWWXBEKBQAFK-UONOGXRCSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cncc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602981114 491088078 /nfs/dbraw/zinc/08/80/78/491088078.db2.gz ZSAWWXBEKBQAFK-UONOGXRCSA-N 1 2 229.327 2.514 20 30 BFEDLO C=CCC(CC=C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442795807 491121729 /nfs/dbraw/zinc/12/17/29/491121729.db2.gz COUPOWGAQQXFOK-GFCCVEGCSA-N 1 2 247.342 2.745 20 30 BFEDLO Cc1cc(C[NH2+][C@H](C)c2ccon2)ccc1C#N ZINC000488323638 533733584 /nfs/dbraw/zinc/73/35/84/533733584.db2.gz STRLUHMZUCRJHP-LLVKDONJSA-N 1 2 241.294 2.706 20 30 BFEDLO CC[N@H+](Cc1cnc(F)c(C)c1)C[C@H](C)C#N ZINC000891715295 582712394 /nfs/dbraw/zinc/71/23/94/582712394.db2.gz CHQKUVMVGVCXOL-SNVBAGLBSA-N 1 2 235.306 2.511 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000891933929 582740740 /nfs/dbraw/zinc/74/07/40/582740740.db2.gz PACYNLCRNYOMCX-VIFPVBQESA-N 1 2 238.718 2.780 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000891933929 582740743 /nfs/dbraw/zinc/74/07/43/582740743.db2.gz PACYNLCRNYOMCX-VIFPVBQESA-N 1 2 238.718 2.780 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC000052917084 536299924 /nfs/dbraw/zinc/29/99/24/536299924.db2.gz ASPYOUBGETZNBN-UHFFFAOYSA-N 1 2 243.354 2.632 20 30 BFEDLO C=C(CC)C[N@H+](C)Cc1csc(C)n1 ZINC000358502095 534371620 /nfs/dbraw/zinc/37/16/20/534371620.db2.gz VACRMPDNRJQCLZ-UHFFFAOYSA-N 1 2 210.346 2.850 20 30 BFEDLO C=C(CC)C[N@@H+](C)Cc1csc(C)n1 ZINC000358502095 534371625 /nfs/dbraw/zinc/37/16/25/534371625.db2.gz VACRMPDNRJQCLZ-UHFFFAOYSA-N 1 2 210.346 2.850 20 30 BFEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000358500269 534393280 /nfs/dbraw/zinc/39/32/80/534393280.db2.gz PUHUZWMCYCZRMD-OAHLLOKOSA-N 1 2 247.338 2.732 20 30 BFEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000358500269 534393282 /nfs/dbraw/zinc/39/32/82/534393282.db2.gz PUHUZWMCYCZRMD-OAHLLOKOSA-N 1 2 247.338 2.732 20 30 BFEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000358515338 534392976 /nfs/dbraw/zinc/39/29/76/534392976.db2.gz YMSXMNXFNPYQNG-ZDUSSCGKSA-N 1 2 221.300 2.619 20 30 BFEDLO C=C(CC)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000358515338 534392987 /nfs/dbraw/zinc/39/29/87/534392987.db2.gz YMSXMNXFNPYQNG-ZDUSSCGKSA-N 1 2 221.300 2.619 20 30 BFEDLO C=CCC(C)(C)c1noc(C[N@@H+](CC)C2CC2)n1 ZINC000340789205 534556687 /nfs/dbraw/zinc/55/66/87/534556687.db2.gz JLTZZJDUEVHTPA-UHFFFAOYSA-N 1 2 249.358 2.908 20 30 BFEDLO C=CCC(C)(C)c1noc(C[N@H+](CC)C2CC2)n1 ZINC000340789205 534556693 /nfs/dbraw/zinc/55/66/93/534556693.db2.gz JLTZZJDUEVHTPA-UHFFFAOYSA-N 1 2 249.358 2.908 20 30 BFEDLO C=C[C@H](CO)Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000357606208 534684305 /nfs/dbraw/zinc/68/43/05/534684305.db2.gz ZYHTYNMQHMZPJS-SNVBAGLBSA-N 1 2 246.285 2.641 20 30 BFEDLO C=CCCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000302241378 534696062 /nfs/dbraw/zinc/69/60/62/534696062.db2.gz IJRZDOZZJYNOCJ-UHFFFAOYSA-N 1 2 242.326 2.980 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncnn1C(C)(C)C ZINC000338336769 534696534 /nfs/dbraw/zinc/69/65/34/534696534.db2.gz AISGPJYQKUFKDM-LBPRGKRZSA-N 1 2 248.374 2.574 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncnn1C(C)(C)C ZINC000338336769 534696538 /nfs/dbraw/zinc/69/65/38/534696538.db2.gz AISGPJYQKUFKDM-LBPRGKRZSA-N 1 2 248.374 2.574 20 30 BFEDLO C=CCCC[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000076734225 534710251 /nfs/dbraw/zinc/71/02/51/534710251.db2.gz YYNXFGJWYZQROZ-UHFFFAOYSA-N 1 2 223.320 2.591 20 30 BFEDLO C=CCCC[N@H+](C)Cc1noc(C(C)C)n1 ZINC000076734225 534710255 /nfs/dbraw/zinc/71/02/55/534710255.db2.gz YYNXFGJWYZQROZ-UHFFFAOYSA-N 1 2 223.320 2.591 20 30 BFEDLO C=CCCC[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000342779747 534757572 /nfs/dbraw/zinc/75/75/72/534757572.db2.gz FKOSRPHXCCJIOO-JTQLQIEISA-N 1 2 244.342 2.845 20 30 BFEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(CCCC)no1 ZINC000121613881 534816495 /nfs/dbraw/zinc/81/64/95/534816495.db2.gz CUARMXYZMXSMOO-JTQLQIEISA-N 1 2 223.320 2.591 20 30 BFEDLO C=CC[N@H+](C)[C@@H](C)c1nc(CCCC)no1 ZINC000121613881 534816498 /nfs/dbraw/zinc/81/64/98/534816498.db2.gz CUARMXYZMXSMOO-JTQLQIEISA-N 1 2 223.320 2.591 20 30 BFEDLO C=CCCCC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000471882022 527170797 /nfs/dbraw/zinc/17/07/97/527170797.db2.gz WFXYDSCZNWETOM-AWEZNQCLSA-N 1 2 247.338 2.847 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccsc1Cl ZINC000306957993 527213694 /nfs/dbraw/zinc/21/36/94/527213694.db2.gz UVCZIBJVRRZVGF-MRVPVSSYSA-N 1 2 213.733 2.855 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ccsc1Cl ZINC000306957993 527213688 /nfs/dbraw/zinc/21/36/88/527213688.db2.gz UVCZIBJVRRZVGF-MRVPVSSYSA-N 1 2 213.733 2.855 20 30 BFEDLO C=CCCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000495001138 527235466 /nfs/dbraw/zinc/23/54/66/527235466.db2.gz WSUXXDOTDYSKDY-CYBMUJFWSA-N 1 2 248.374 2.982 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(C#N)c(C)c1 ZINC000488432636 528375341 /nfs/dbraw/zinc/37/53/41/528375341.db2.gz MJEXNVHLSNONET-UHFFFAOYSA-N 1 2 227.311 2.602 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(C#N)c(C)c1 ZINC000488432636 528375345 /nfs/dbraw/zinc/37/53/45/528375345.db2.gz MJEXNVHLSNONET-UHFFFAOYSA-N 1 2 227.311 2.602 20 30 BFEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1c(C)noc1C ZINC000331980197 535802957 /nfs/dbraw/zinc/80/29/57/535802957.db2.gz XMZFGZAPEFDSFO-LLVKDONJSA-N 1 2 233.315 2.636 20 30 BFEDLO CCc1cccc(OCC[N@H+](C)C[C@@H](C)C#N)c1 ZINC000338263578 535905518 /nfs/dbraw/zinc/90/55/18/535905518.db2.gz AQIPZERDCKKFCP-ZDUSSCGKSA-N 1 2 246.354 2.719 20 30 BFEDLO CCc1cccc(OCC[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000338263578 535905523 /nfs/dbraw/zinc/90/55/23/535905523.db2.gz AQIPZERDCKKFCP-ZDUSSCGKSA-N 1 2 246.354 2.719 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC000052917084 536299920 /nfs/dbraw/zinc/29/99/20/536299920.db2.gz ASPYOUBGETZNBN-UHFFFAOYSA-N 1 2 243.354 2.632 20 30 BFEDLO C[N@H+](Cc1ccccc1F)CC1(C#N)CC1 ZINC000258863687 536482731 /nfs/dbraw/zinc/48/27/31/536482731.db2.gz HHWRWCWDQPWMHH-UHFFFAOYSA-N 1 2 218.275 2.561 20 30 BFEDLO C[N@@H+](Cc1ccccc1F)CC1(C#N)CC1 ZINC000258863687 536482732 /nfs/dbraw/zinc/48/27/32/536482732.db2.gz HHWRWCWDQPWMHH-UHFFFAOYSA-N 1 2 218.275 2.561 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)cnc1Cl ZINC000893604865 583171606 /nfs/dbraw/zinc/17/16/06/583171606.db2.gz AUFRUJPUBBMMGS-LLVKDONJSA-N 1 2 237.734 2.825 20 30 BFEDLO C=CC[NH+](CC=C)Cc1nc(C(C)C)c[nH]1 ZINC000893872016 583236991 /nfs/dbraw/zinc/23/69/91/583236991.db2.gz OKVGPFLJWBCVBS-UHFFFAOYSA-N 1 2 219.332 2.707 20 30 BFEDLO CCc1ccccc1NN=Cc1c[nH+]c(C)n1C ZINC000853288348 588730727 /nfs/dbraw/zinc/73/07/27/588730727.db2.gz AVIMJYCQNMZXTP-UHFFFAOYSA-N 1 2 242.326 2.737 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N1CC=CCC1 ZINC000853471143 588744806 /nfs/dbraw/zinc/74/48/06/588744806.db2.gz FOMVGDYUVODPDT-UHFFFAOYSA-N 1 2 242.322 2.640 20 30 BFEDLO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)C#N ZINC000853582571 588749938 /nfs/dbraw/zinc/74/99/38/588749938.db2.gz QBMYZCRJTGVLAV-GFCCVEGCSA-N 1 2 232.327 2.743 20 30 BFEDLO CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H](C)C#N ZINC000853582571 588749939 /nfs/dbraw/zinc/74/99/39/588749939.db2.gz QBMYZCRJTGVLAV-GFCCVEGCSA-N 1 2 232.327 2.743 20 30 BFEDLO CCCCCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000855134687 588822789 /nfs/dbraw/zinc/82/27/89/588822789.db2.gz WZVNYMDIJURREB-UHFFFAOYSA-N 1 2 237.347 2.729 20 30 BFEDLO CCCCCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000855134687 588822790 /nfs/dbraw/zinc/82/27/90/588822790.db2.gz WZVNYMDIJURREB-UHFFFAOYSA-N 1 2 237.347 2.729 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CCc1cscn1 ZINC000134847095 582510156 /nfs/dbraw/zinc/51/01/56/582510156.db2.gz UJKZHESFZNHQKZ-NTUHNPAUSA-N 1 2 232.308 2.510 20 30 BFEDLO C=C1CCC(C(=O)Nc2cc[nH+]cc2CC)CC1 ZINC000888976778 582635786 /nfs/dbraw/zinc/63/57/86/582635786.db2.gz CIJGHQXPYJELQJ-UHFFFAOYSA-N 1 2 244.338 2.751 20 30 BFEDLO CC[N@@H+](Cc1cnc(F)c(C)c1)C[C@H](C)C#N ZINC000891715295 582712391 /nfs/dbraw/zinc/71/23/91/582712391.db2.gz CHQKUVMVGVCXOL-SNVBAGLBSA-N 1 2 235.306 2.511 20 30 BFEDLO Cc1cc(F)ncc1C[N@H+](CCC#N)CC1CC1 ZINC000891937693 582741423 /nfs/dbraw/zinc/74/14/23/582741423.db2.gz OVQGXJNSSRWHMU-UHFFFAOYSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1cc(F)ncc1C[N@@H+](CCC#N)CC1CC1 ZINC000891937693 582741424 /nfs/dbraw/zinc/74/14/24/582741424.db2.gz OVQGXJNSSRWHMU-UHFFFAOYSA-N 1 2 247.317 2.655 20 30 BFEDLO Cn1cccc1C[N@H+](C)Cc1csc(C#N)c1 ZINC000892094654 582790594 /nfs/dbraw/zinc/79/05/94/582790594.db2.gz QHTBDVLZCQILFK-UHFFFAOYSA-N 1 2 245.351 2.590 20 30 BFEDLO Cn1cccc1C[N@@H+](C)Cc1csc(C#N)c1 ZINC000892094654 582790595 /nfs/dbraw/zinc/79/05/95/582790595.db2.gz QHTBDVLZCQILFK-UHFFFAOYSA-N 1 2 245.351 2.590 20 30 BFEDLO C=CCCCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855903001 588853327 /nfs/dbraw/zinc/85/33/27/588853327.db2.gz PDCXAGUKMCGAIU-UHFFFAOYSA-N 1 2 243.310 2.938 20 30 BFEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC000852100589 583001317 /nfs/dbraw/zinc/00/13/17/583001317.db2.gz YJGGYGBTUZHNCP-ZWNOBZJWSA-N 1 2 235.331 2.646 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(SC)o1 ZINC000894469951 583469064 /nfs/dbraw/zinc/46/90/64/583469064.db2.gz SCABLIYAXXXFAZ-SECBINFHSA-N 1 2 224.329 2.783 20 30 BFEDLO C[N@H+](Cc1cnn(C2CCC2)c1)CC(C)(C)C#N ZINC000894610433 583493721 /nfs/dbraw/zinc/49/37/21/583493721.db2.gz NDVJLRSLALXCHN-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO C[N@@H+](Cc1cnn(C2CCC2)c1)CC(C)(C)C#N ZINC000894610433 583493722 /nfs/dbraw/zinc/49/37/22/583493722.db2.gz NDVJLRSLALXCHN-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)Cc1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC000895344136 583654977 /nfs/dbraw/zinc/65/49/77/583654977.db2.gz MDDIQQWHTBQMRP-UHFFFAOYSA-N 1 2 243.354 2.626 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\CC[C@@H](C)F)c1 ZINC000840707777 583849813 /nfs/dbraw/zinc/84/98/13/583849813.db2.gz YJIPEKPHGWKJEZ-ZJTXEKFPSA-N 1 2 225.263 2.568 20 30 BFEDLO CC[C@H](C)[C@H](C/[NH+]=C\c1ccccc1O)OC ZINC000840708186 583850787 /nfs/dbraw/zinc/85/07/87/583850787.db2.gz UVNAEVGIAOOXFM-FFOBGPNNSA-N 1 2 235.327 2.872 20 30 BFEDLO Oc1cccc(/C=[NH+]\[C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000840709396 583855296 /nfs/dbraw/zinc/85/52/96/583855296.db2.gz CQXBIEHLHGZVRV-KEPVTWEOSA-N 1 2 231.295 2.705 20 30 BFEDLO Oc1cccc(/C=[NH+]/[C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000840709400 583855577 /nfs/dbraw/zinc/85/55/77/583855577.db2.gz CQXBIEHLHGZVRV-QKNXHLJISA-N 1 2 231.295 2.705 20 30 BFEDLO CC#CC[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000897167420 583887606 /nfs/dbraw/zinc/88/76/06/583887606.db2.gz KNOFNMARODSDPN-UHFFFAOYSA-N 1 2 236.384 2.896 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000897167420 583887608 /nfs/dbraw/zinc/88/76/08/583887608.db2.gz KNOFNMARODSDPN-UHFFFAOYSA-N 1 2 236.384 2.896 20 30 BFEDLO C#CC[N@H+](Cc1nc2c(s1)CCCC2)C(C)C ZINC000897171418 583889551 /nfs/dbraw/zinc/88/95/51/583889551.db2.gz YRGWYYGNKMYMLZ-UHFFFAOYSA-N 1 2 248.395 2.866 20 30 BFEDLO C#CC[N@@H+](Cc1nc2c(s1)CCCC2)C(C)C ZINC000897171418 583889553 /nfs/dbraw/zinc/88/95/53/583889553.db2.gz YRGWYYGNKMYMLZ-UHFFFAOYSA-N 1 2 248.395 2.866 20 30 BFEDLO CCOc1ccc(/C=[NH+]/CCCCC#N)c(O)c1 ZINC000728785826 583910012 /nfs/dbraw/zinc/91/00/12/583910012.db2.gz RJDJZVWXFHDEFV-LFIBNONCSA-N 1 2 246.310 2.904 20 30 BFEDLO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(C#N)c1O ZINC000866244322 584116786 /nfs/dbraw/zinc/11/67/86/584116786.db2.gz ZVVUKNTVPFAYDJ-JBLDHEPKSA-N 1 2 230.311 2.570 20 30 BFEDLO C[C@H]([NH2+]CC1(C)CC1)c1cccc(C#N)c1O ZINC000866303131 584117544 /nfs/dbraw/zinc/11/75/44/584117544.db2.gz OGPAIYQWEVETJY-JTQLQIEISA-N 1 2 230.311 2.715 20 30 BFEDLO Nc1ccc(/C=C\C(=O)C2CCCCC2)c[nH+]1 ZINC000899345942 584198251 /nfs/dbraw/zinc/19/82/51/584198251.db2.gz YRNHDCAIMMXTSG-VURMDHGXSA-N 1 2 230.311 2.826 20 30 BFEDLO C=C1C[NH+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000899900412 584249813 /nfs/dbraw/zinc/24/98/13/584249813.db2.gz PTHLGLZRDQMIAN-INIZCTEOSA-N 1 2 239.318 2.745 20 30 BFEDLO CCn1c[nH+]c(CNc2cc(C#N)ccc2C)c1 ZINC000902595120 584635702 /nfs/dbraw/zinc/63/57/02/584635702.db2.gz YQXPARQCQZMJAA-UHFFFAOYSA-N 1 2 240.310 2.695 20 30 BFEDLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1cccc(C#N)c1 ZINC000902796618 584674544 /nfs/dbraw/zinc/67/45/44/584674544.db2.gz RVZGHQMHJHLQAG-AWEZNQCLSA-N 1 2 240.310 2.522 20 30 BFEDLO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cn1 ZINC000903106730 584728387 /nfs/dbraw/zinc/72/83/87/584728387.db2.gz UPKGQTAWNGQPPY-CYBMUJFWSA-N 1 2 247.317 2.811 20 30 BFEDLO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)c2nccn21 ZINC000903108425 584728826 /nfs/dbraw/zinc/72/88/26/584728826.db2.gz CGZIBGSGZFZUKU-NEPJUHHUSA-N 1 2 244.342 2.562 20 30 BFEDLO C[C@H](C#N)C[N@H+](CCC(=O)C(C)(C)C)C1CC1 ZINC000753747384 584905874 /nfs/dbraw/zinc/90/58/74/584905874.db2.gz QTHNNOJGCCTYKH-LLVKDONJSA-N 1 2 236.359 2.616 20 30 BFEDLO C[C@H](C#N)C[N@@H+](CCC(=O)C(C)(C)C)C1CC1 ZINC000753747384 584905875 /nfs/dbraw/zinc/90/58/75/584905875.db2.gz QTHNNOJGCCTYKH-LLVKDONJSA-N 1 2 236.359 2.616 20 30 BFEDLO Cc1[nH+]cc(C=NOC(C)C)n1-c1ccccc1 ZINC000835001026 584917165 /nfs/dbraw/zinc/91/71/65/584917165.db2.gz BEAZLDMNBGWFGW-UHFFFAOYSA-N 1 2 243.310 2.940 20 30 BFEDLO O=C1c2cccc(Cl)c2C/C1=C/c1[nH]cc[nH+]1 ZINC000731158761 584923135 /nfs/dbraw/zinc/92/31/35/584923135.db2.gz IEZBJLBRRDAYIN-FPLPWBNLSA-N 1 2 244.681 2.886 20 30 BFEDLO Cc1cccc(C(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000731157680 584923141 /nfs/dbraw/zinc/92/31/41/584923141.db2.gz ZHEVSCULFBSHLX-AATRIKPKSA-N 1 2 212.252 2.614 20 30 BFEDLO CCCCCCCC(=O)Nc1cc[nH+]cc1O ZINC000731859717 584929785 /nfs/dbraw/zinc/92/97/85/584929785.db2.gz YDHIMBYPGGSQMT-UHFFFAOYSA-N 1 2 236.315 2.508 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000753588579 585263066 /nfs/dbraw/zinc/26/30/66/585263066.db2.gz XMBKAFOLRRGIQI-CQSZACIVSA-N 1 2 248.301 2.657 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000753588579 585263067 /nfs/dbraw/zinc/26/30/67/585263067.db2.gz XMBKAFOLRRGIQI-CQSZACIVSA-N 1 2 248.301 2.657 20 30 BFEDLO NC(=[NH+]OCC1CCC1)c1ccc(Cl)cc1 ZINC000753820901 585270392 /nfs/dbraw/zinc/27/03/92/585270392.db2.gz DKTSGLANOBXMQY-UHFFFAOYSA-N 1 2 238.718 2.777 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1ccc(Cl)nc1)C1CC1 ZINC000754375165 585283581 /nfs/dbraw/zinc/28/35/81/585283581.db2.gz WYTCSOLFEDFDFV-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(Cl)nc1)C1CC1 ZINC000754375165 585283582 /nfs/dbraw/zinc/28/35/82/585283582.db2.gz WYTCSOLFEDFDFV-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NNc1cc(C)ccc1C ZINC000755563474 585301653 /nfs/dbraw/zinc/30/16/53/585301653.db2.gz DJJHKUHFJHVPPI-UHFFFAOYSA-N 1 2 228.299 2.781 20 30 BFEDLO CCON=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000755628890 585302675 /nfs/dbraw/zinc/30/26/75/585302675.db2.gz XRNDIGUMIWMHPS-UHFFFAOYSA-N 1 2 229.283 2.551 20 30 BFEDLO Cc1[nH]c[nH+]c1CN=Nc1cc(C)ccc1F ZINC000755773227 585306867 /nfs/dbraw/zinc/30/68/67/585306867.db2.gz SVBALXCQNHYNQN-UHFFFAOYSA-N 1 2 232.262 2.612 20 30 BFEDLO C#CC[C@@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC000756995234 585326283 /nfs/dbraw/zinc/32/62/83/585326283.db2.gz FATPSTSIJVQCBZ-CQSZACIVSA-N 1 2 242.347 2.997 20 30 BFEDLO C=C(Cl)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000839534629 585329350 /nfs/dbraw/zinc/32/93/50/585329350.db2.gz UHEUUQDXJMYJSK-ZETCQYMHSA-N 1 2 213.630 2.623 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000839534629 585329351 /nfs/dbraw/zinc/32/93/51/585329351.db2.gz UHEUUQDXJMYJSK-ZETCQYMHSA-N 1 2 213.630 2.623 20 30 BFEDLO CN(C)c1ccc(C=[NH+]OCC(F)F)cc1F ZINC000758903226 585362030 /nfs/dbraw/zinc/36/20/30/585362030.db2.gz BRBNDDRWOKJYPX-UHFFFAOYSA-N 1 2 246.232 2.507 20 30 BFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCF ZINC000759346930 585370067 /nfs/dbraw/zinc/37/00/67/585370067.db2.gz LDNJGGJTCLPCNH-KBPBESRZSA-N 1 2 232.302 2.728 20 30 BFEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCF ZINC000759346930 585370068 /nfs/dbraw/zinc/37/00/68/585370068.db2.gz LDNJGGJTCLPCNH-KBPBESRZSA-N 1 2 232.302 2.728 20 30 BFEDLO CCOC(=O)CC[C@H](C)/[NH+]=C\c1ccccc1O ZINC000760229921 585386983 /nfs/dbraw/zinc/38/69/83/585386983.db2.gz TYXGIDDVYDGVNX-SAIXKJTDSA-N 1 2 249.310 2.543 20 30 BFEDLO CC(C)CCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000762193189 585428926 /nfs/dbraw/zinc/42/89/26/585428926.db2.gz JXVFXCAJIWBWTD-UHFFFAOYSA-N 1 2 238.306 2.899 20 30 BFEDLO Cc1ccc(F)c(N[NH+]=Cc2cccnc2N)c1 ZINC000764697088 585471258 /nfs/dbraw/zinc/47/12/58/585471258.db2.gz VOYGEGOMFOCBPS-UHFFFAOYSA-N 1 2 244.273 2.557 20 30 BFEDLO CC#CCO[NH+]=C(N)c1cccc2ccccc21 ZINC000766070214 585497225 /nfs/dbraw/zinc/49/72/25/585497225.db2.gz VAPBYRUIKZKCBN-UHFFFAOYSA-N 1 2 238.290 2.710 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000769961623 585567643 /nfs/dbraw/zinc/56/76/43/585567643.db2.gz SABAEXWLSRRGHQ-VIFPVBQESA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000769961623 585567644 /nfs/dbraw/zinc/56/76/44/585567644.db2.gz SABAEXWLSRRGHQ-VIFPVBQESA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1c(F)cccc1Cl ZINC000769960997 585567775 /nfs/dbraw/zinc/56/77/75/585567775.db2.gz KGCIFJFEHWMJSW-VIFPVBQESA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000769960997 585567776 /nfs/dbraw/zinc/56/77/76/585567776.db2.gz KGCIFJFEHWMJSW-VIFPVBQESA-N 1 2 225.694 2.933 20 30 BFEDLO Cc1ncc(CC/[NH+]=C/c2ccccc2O)s1 ZINC000771836132 585601951 /nfs/dbraw/zinc/60/19/51/585601951.db2.gz KLFWXCLOTVERIY-RIYZIHGNSA-N 1 2 246.335 2.819 20 30 BFEDLO C=CC[N@@H+](Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000772382415 585614034 /nfs/dbraw/zinc/61/40/34/585614034.db2.gz QSAGWHJPOSEIBD-UHFFFAOYSA-N 1 2 235.331 2.518 20 30 BFEDLO C=CC[N@H+](Cc1nnc(C(C)(C)C)o1)C1CC1 ZINC000772382415 585614035 /nfs/dbraw/zinc/61/40/35/585614035.db2.gz QSAGWHJPOSEIBD-UHFFFAOYSA-N 1 2 235.331 2.518 20 30 BFEDLO Cc1ccc(CCC=NOCC(C)C)c[nH+]1 ZINC000774395888 585657306 /nfs/dbraw/zinc/65/73/06/585657306.db2.gz WBHIOSFFEPUJLT-UHFFFAOYSA-N 1 2 220.316 2.981 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1cccc(Cl)c1O ZINC000775708946 585683407 /nfs/dbraw/zinc/68/34/07/585683407.db2.gz QJQWLUZQUSCXOT-UHFFFAOYSA-N 1 2 247.725 2.504 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1cccc(Cl)c1O ZINC000775708946 585683408 /nfs/dbraw/zinc/68/34/08/585683408.db2.gz QJQWLUZQUSCXOT-UHFFFAOYSA-N 1 2 247.725 2.504 20 30 BFEDLO O=C1c2cc(F)ccc2CC/C1=C/c1[nH]cc[nH+]1 ZINC000776192865 585692463 /nfs/dbraw/zinc/69/24/63/585692463.db2.gz LWCYLTTVHHAQTG-YFHOEESVSA-N 1 2 242.253 2.761 20 30 BFEDLO C[C@H]([NH2+]Cc1ccon1)c1ccc(C#N)cc1F ZINC000781421205 585795790 /nfs/dbraw/zinc/79/57/90/585795790.db2.gz FTXJVOQKOHAHJP-VIFPVBQESA-N 1 2 245.257 2.536 20 30 BFEDLO Cc1nc(F)ccc1C[N@@H+](CCC#N)C(C)C ZINC000787108870 585901562 /nfs/dbraw/zinc/90/15/62/585901562.db2.gz WDXUOKXEXFNWMW-UHFFFAOYSA-N 1 2 235.306 2.653 20 30 BFEDLO Cc1nc(F)ccc1C[N@H+](CCC#N)C(C)C ZINC000787108870 585901563 /nfs/dbraw/zinc/90/15/63/585901563.db2.gz WDXUOKXEXFNWMW-UHFFFAOYSA-N 1 2 235.306 2.653 20 30 BFEDLO CSCCON=CCCc1c[nH+]ccc1C ZINC000794573180 586044419 /nfs/dbraw/zinc/04/44/19/586044419.db2.gz VFMDBEISUAIBSH-UHFFFAOYSA-N 1 2 238.356 2.688 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000794579239 586045061 /nfs/dbraw/zinc/04/50/61/586045061.db2.gz VJUOFZJJSMAMMS-UHFFFAOYSA-N 1 2 220.316 2.642 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000794579239 586045062 /nfs/dbraw/zinc/04/50/62/586045062.db2.gz VJUOFZJJSMAMMS-UHFFFAOYSA-N 1 2 220.316 2.642 20 30 BFEDLO C[C@@H]1CSC[C@H]1/[NH+]=C/c1ccccc1O ZINC000794677799 586046732 /nfs/dbraw/zinc/04/67/32/586046732.db2.gz YNZFTBISMRGEJI-KOCYAKLASA-N 1 2 221.325 2.563 20 30 BFEDLO CC1(CC/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000794832574 586049986 /nfs/dbraw/zinc/04/99/86/586049986.db2.gz JKGIQXYMORPOIC-NTEUORMPSA-N 1 2 219.284 2.707 20 30 BFEDLO Cc1cccc(CC/[NH+]=C/c2ccccc2O)n1 ZINC000794835490 586050048 /nfs/dbraw/zinc/05/00/48/586050048.db2.gz XJFJHQXWJUVFGS-LFIBNONCSA-N 1 2 240.306 2.757 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000795205925 586071763 /nfs/dbraw/zinc/07/17/63/586071763.db2.gz KXETYWGQZXLNMG-UHFFFAOYSA-N 1 2 236.290 2.737 20 30 BFEDLO Cc1ccc(C(=O)/C=C\c2cn(C)c[nH+]2)cc1C ZINC000798231468 586141291 /nfs/dbraw/zinc/14/12/91/586141291.db2.gz HUBADWAUKVJSEO-SREVYHEPSA-N 1 2 240.306 2.933 20 30 BFEDLO C[C@@H]1CCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000798343956 586142724 /nfs/dbraw/zinc/14/27/24/586142724.db2.gz VKAZJLJUSDWFKF-SCVIVROUSA-N 1 2 233.311 2.953 20 30 BFEDLO C#C[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC000798409650 586143377 /nfs/dbraw/zinc/14/33/77/586143377.db2.gz XKGSDMRFRHRQPB-GFCCVEGCSA-N 1 2 229.327 2.732 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)cn1 ZINC000799168526 586164999 /nfs/dbraw/zinc/16/49/99/586164999.db2.gz SIMHVHDEVMQSGM-LLVKDONJSA-N 1 2 237.734 2.671 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000799168526 586165001 /nfs/dbraw/zinc/16/50/01/586165001.db2.gz SIMHVHDEVMQSGM-LLVKDONJSA-N 1 2 237.734 2.671 20 30 BFEDLO COc1ccc([NH2+][C@@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000799721219 586194959 /nfs/dbraw/zinc/19/49/59/586194959.db2.gz WXUKKKWJDBEPMQ-GHMZBOCLSA-N 1 2 246.310 2.808 20 30 BFEDLO Cc1cc(C)c(C(=O)/C=C\c2[nH]cc[nH+]2)c(O)c1 ZINC000799894841 586201799 /nfs/dbraw/zinc/20/17/99/586201799.db2.gz GTLCXUJXHQKSPD-ARJAWSKDSA-N 1 2 242.278 2.628 20 30 BFEDLO CC(C)(C#N)CCO[NH+]=C(N)c1cccc(F)c1 ZINC000799961866 586203788 /nfs/dbraw/zinc/20/37/88/586203788.db2.gz FUVUKXFAILMFQJ-UHFFFAOYSA-N 1 2 249.289 2.612 20 30 BFEDLO CCSCCC/[NH+]=C/c1ccccc1O ZINC000800721696 586227541 /nfs/dbraw/zinc/22/75/41/586227541.db2.gz RAAYUWPLIJJSRY-JLHYYAGUSA-N 1 2 223.341 2.954 20 30 BFEDLO CC(=NNc1ccc(F)cc1)c1cn(C)c(C)[nH+]1 ZINC000800805683 586228234 /nfs/dbraw/zinc/22/82/34/586228234.db2.gz YGDNDWCAWFCONJ-UHFFFAOYSA-N 1 2 246.289 2.704 20 30 BFEDLO Cc1ccccc1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000800792277 586228809 /nfs/dbraw/zinc/22/88/09/586228809.db2.gz PVBVTSLMKXRPRS-FPLPWBNLSA-N 1 2 226.279 2.625 20 30 BFEDLO Cc1cc(C(=O)/C=C\c2cn(C)c[nH+]2)oc1C ZINC000800795597 586229518 /nfs/dbraw/zinc/22/95/18/586229518.db2.gz PRVUUHHFJLELJM-PLNGDYQASA-N 1 2 230.267 2.526 20 30 BFEDLO Cn1c[nH+]c(/C=C2\CCc3sccc3C2=O)c1 ZINC000800794085 586229571 /nfs/dbraw/zinc/22/95/71/586229571.db2.gz VRAGUTVDILRVJQ-RMKNXTFCSA-N 1 2 244.319 2.694 20 30 BFEDLO C[C@@H]1c2ccccc2C(=O)/C1=C\c1cn(C)c[nH+]1 ZINC000809156588 586500071 /nfs/dbraw/zinc/50/00/71/586500071.db2.gz MOLYRDSAYBLBSW-QOUOVQQFSA-N 1 2 238.290 2.804 20 30 BFEDLO C[C@@H]1c2ccccc2C(=O)/C1=C/c1[nH]cc[nH+]1 ZINC000809157292 586500079 /nfs/dbraw/zinc/50/00/79/586500079.db2.gz RWRLLVGDZJPOAA-YXYQAXARSA-N 1 2 224.263 2.793 20 30 BFEDLO C#Cc1ccc(CNc2ccc(OC)c[nH+]2)cc1 ZINC000809626576 586510031 /nfs/dbraw/zinc/51/00/31/586510031.db2.gz HOLVSNOBAJNGAB-UHFFFAOYSA-N 1 2 238.290 2.684 20 30 BFEDLO C#Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000809780090 586519412 /nfs/dbraw/zinc/51/94/12/586519412.db2.gz KTBMSAPCLWTGGR-CYBMUJFWSA-N 1 2 235.277 2.945 20 30 BFEDLO C#C[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000811516702 586560282 /nfs/dbraw/zinc/56/02/82/586560282.db2.gz UACYYWGWXLEPFH-ZDUSSCGKSA-N 1 2 245.713 2.527 20 30 BFEDLO CC(=[NH+]Nc1ccc(C)cc1)c1csc(N)n1 ZINC000812372998 586574938 /nfs/dbraw/zinc/57/49/38/586574938.db2.gz VYONJXODUMCWPR-UHFFFAOYSA-N 1 2 246.339 2.870 20 30 BFEDLO COc1cccc(/C=[NH+]\CCCCF)c1O ZINC000812444970 586577278 /nfs/dbraw/zinc/57/72/78/586577278.db2.gz PZQGOANLPZCWGZ-ZROIWOOFSA-N 1 2 225.263 2.569 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/CCCCF)c1 ZINC000812444299 586577380 /nfs/dbraw/zinc/57/73/80/586577380.db2.gz CCZLRFJAYNFFIQ-NTEUORMPSA-N 1 2 225.263 2.569 20 30 BFEDLO C[N@H+](C[C@H]1CC1(Cl)Cl)CC(C)(C)C#N ZINC000814668807 586627862 /nfs/dbraw/zinc/62/78/62/586627862.db2.gz DLRVXGISYVATPD-MRVPVSSYSA-N 1 2 235.158 2.662 20 30 BFEDLO C[N@@H+](C[C@H]1CC1(Cl)Cl)CC(C)(C)C#N ZINC000814668807 586627864 /nfs/dbraw/zinc/62/78/64/586627864.db2.gz DLRVXGISYVATPD-MRVPVSSYSA-N 1 2 235.158 2.662 20 30 BFEDLO CC(=[NH+]Nc1ccccc1F)c1ccc(N)nc1 ZINC000814790065 586634236 /nfs/dbraw/zinc/63/42/36/586634236.db2.gz QHKVPABGHNGPJI-UHFFFAOYSA-N 1 2 244.273 2.639 20 30 BFEDLO Cn1cc[nH+]c1NN=C1CCCc2sccc21 ZINC000814919531 586651154 /nfs/dbraw/zinc/65/11/54/586651154.db2.gz UVRCXUFAMMTZSI-UHFFFAOYSA-N 1 2 246.339 2.634 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000815295611 586677979 /nfs/dbraw/zinc/67/79/79/586677979.db2.gz KGERDKQHSBOCQR-LBPRGKRZSA-N 1 2 229.751 2.630 20 30 BFEDLO C=C(Cl)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000815295611 586677980 /nfs/dbraw/zinc/67/79/80/586677980.db2.gz KGERDKQHSBOCQR-LBPRGKRZSA-N 1 2 229.751 2.630 20 30 BFEDLO CCOc1ccc(/C=[NH+]\[C@@H]2CC23CC3)c(O)c1 ZINC000818993154 586920867 /nfs/dbraw/zinc/92/08/67/586920867.db2.gz XKGKVSIVCHOYSJ-MLJKTZRHSA-N 1 2 231.295 2.762 20 30 BFEDLO CCCCCCCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819768119 586991918 /nfs/dbraw/zinc/99/19/18/586991918.db2.gz JQYLUXJRTJHHHN-JTQLQIEISA-N 1 2 242.388 2.954 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NN[C@H](C)C(C)(C)C ZINC000819813703 586998171 /nfs/dbraw/zinc/99/81/71/586998171.db2.gz RRBFXFKWJBFSCV-LLVKDONJSA-N 1 2 236.363 2.822 20 30 BFEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000821309322 587106451 /nfs/dbraw/zinc/10/64/51/587106451.db2.gz RKFWFZLMPBEDCU-NWDGAFQWSA-N 1 2 249.358 2.683 20 30 BFEDLO C=C[C@@H](CC)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000822013369 587149340 /nfs/dbraw/zinc/14/93/40/587149340.db2.gz ZMZWFMMVQXLJBF-ZDUSSCGKSA-N 1 2 246.354 2.917 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1ccnc(Cl)c1F ZINC000824113880 587256416 /nfs/dbraw/zinc/25/64/16/587256416.db2.gz NCTMYJVLLLFGBW-UHFFFAOYSA-N 1 2 228.698 2.882 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1ccnc(Cl)c1F ZINC000824113880 587256417 /nfs/dbraw/zinc/25/64/17/587256417.db2.gz NCTMYJVLLLFGBW-UHFFFAOYSA-N 1 2 228.698 2.882 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)ncc1F ZINC000824302231 587265666 /nfs/dbraw/zinc/26/56/66/587265666.db2.gz SJTDMCMIOLBLTD-NSHDSACASA-N 1 2 238.281 2.900 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)ncc1F ZINC000824302231 587265667 /nfs/dbraw/zinc/26/56/67/587265667.db2.gz SJTDMCMIOLBLTD-NSHDSACASA-N 1 2 238.281 2.900 20 30 BFEDLO C#CC[N@@H+](CC)Cc1ccc(F)c(F)c1F ZINC000824621009 587279909 /nfs/dbraw/zinc/27/99/09/587279909.db2.gz DXHPOBAWDXUCIA-UHFFFAOYSA-N 1 2 227.229 2.559 20 30 BFEDLO C#CC[N@H+](CC)Cc1ccc(F)c(F)c1F ZINC000824621009 587279911 /nfs/dbraw/zinc/27/99/11/587279911.db2.gz DXHPOBAWDXUCIA-UHFFFAOYSA-N 1 2 227.229 2.559 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCOCC12CCCCC2 ZINC000832175352 587648777 /nfs/dbraw/zinc/64/87/77/587648777.db2.gz UTWGNYPXRHUXMK-UHFFFAOYSA-N 1 2 229.751 2.774 20 30 BFEDLO C=C(Cl)C[N@H+]1CCOCC12CCCCC2 ZINC000832175352 587648778 /nfs/dbraw/zinc/64/87/78/587648778.db2.gz UTWGNYPXRHUXMK-UHFFFAOYSA-N 1 2 229.751 2.774 20 30 BFEDLO CC(C)(C)C1CCC(C=[NH+]n2ccnn2)CC1 ZINC000835010476 587777576 /nfs/dbraw/zinc/77/75/76/587777576.db2.gz ASWKGSXAJMMCLG-UHFFFAOYSA-N 1 2 234.347 2.965 20 30 BFEDLO C[C@@H](C=[NH+]n1ccnn1)CC1CCCCC1 ZINC000835012361 587778051 /nfs/dbraw/zinc/77/80/51/587778051.db2.gz WYCNHYKNAXJMOP-LLVKDONJSA-N 1 2 220.320 2.719 20 30 BFEDLO CC(C)c1ccc(NN=Cc2c[nH+]cn2C)cc1 ZINC000835018223 587778863 /nfs/dbraw/zinc/77/88/63/587778863.db2.gz JBRFMAHTUVNVKU-UHFFFAOYSA-N 1 2 242.326 2.990 20 30 BFEDLO C=CCC(C)(C)C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000840707447 587916860 /nfs/dbraw/zinc/91/68/60/587916860.db2.gz VCBNVMYCMQJNRW-OVCLIPMQSA-N 1 2 249.310 2.825 20 30 BFEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@H](C)F)c1 ZINC000840704938 587917004 /nfs/dbraw/zinc/91/70/04/587917004.db2.gz DDSWTNMHPHNYGX-QNKACBJSSA-N 1 2 239.290 2.958 20 30 BFEDLO CO[C@@H]1C[C@@H](/[NH+]=C\c2ccccc2O)C12CCC2 ZINC000840710702 587917524 /nfs/dbraw/zinc/91/75/24/587917524.db2.gz LVALAUQJBZBDMM-PJMOXLGBSA-N 1 2 245.322 2.769 20 30 BFEDLO CO[C@@H]1C[C@@H](/[NH+]=C/c2ccccc2O)C12CCC2 ZINC000840710703 587917541 /nfs/dbraw/zinc/91/75/41/587917541.db2.gz LVALAUQJBZBDMM-RSCROXIHSA-N 1 2 245.322 2.769 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CCC[C@H]1CCOC1 ZINC000840711658 587917552 /nfs/dbraw/zinc/91/75/52/587917552.db2.gz YIYKPRHMPSVPLY-GQVHDAKQSA-N 1 2 233.311 2.628 20 30 BFEDLO C=CCCCCO[NH+]=C(N)c1ccccc1 ZINC000842013673 587988818 /nfs/dbraw/zinc/98/88/18/587988818.db2.gz RPJPZPPUMFRFSM-UHFFFAOYSA-N 1 2 218.300 2.889 20 30 BFEDLO C=C[C@@H](C)ON=CCCc1c[nH+]ccc1C ZINC000844626333 588211723 /nfs/dbraw/zinc/21/17/23/588211723.db2.gz URXZECHKGBYDGU-GFCCVEGCSA-N 1 2 218.300 2.900 20 30 BFEDLO C[C@H]1CC(C)(C)CC1=NNCCCn1cc[nH+]c1 ZINC000848416863 588381706 /nfs/dbraw/zinc/38/17/06/588381706.db2.gz BACRRWJMGRAWIR-LBPRGKRZSA-N 1 2 248.374 2.675 20 30 BFEDLO CC[C@]1(C)CCCC1=NNCCCn1cc[nH+]c1 ZINC000848416290 588381809 /nfs/dbraw/zinc/38/18/09/588381809.db2.gz FXTJUNUYUPEWQI-CQSZACIVSA-N 1 2 248.374 2.819 20 30 BFEDLO C[C@H]1CCCC[C@H]1C=NNCCCn1cc[nH+]c1 ZINC000848417412 588382295 /nfs/dbraw/zinc/38/22/95/588382295.db2.gz YRSRZLHLYXFYCX-KBPBESRZSA-N 1 2 248.374 2.675 20 30 BFEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000849171813 588459904 /nfs/dbraw/zinc/45/99/04/588459904.db2.gz GNXNGNPODMOVQT-VETDHQSRSA-N 1 2 245.322 2.953 20 30 BFEDLO C=C(C)C[N@@H+](CC)CC(=O)OCc1ccccc1 ZINC000108491936 588475867 /nfs/dbraw/zinc/47/58/67/588475867.db2.gz BLEJKKDUDWBSMQ-UHFFFAOYSA-N 1 2 247.338 2.628 20 30 BFEDLO C=C(C)C[N@H+](CC)CC(=O)OCc1ccccc1 ZINC000108491936 588475868 /nfs/dbraw/zinc/47/58/68/588475868.db2.gz BLEJKKDUDWBSMQ-UHFFFAOYSA-N 1 2 247.338 2.628 20 30 BFEDLO C=CCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000850501707 588552959 /nfs/dbraw/zinc/55/29/59/588552959.db2.gz FXWIWEVHEHESOL-MRVPVSSYSA-N 1 2 227.254 2.897 20 30 BFEDLO C#C[C@](C)(CC)[NH2+]Cc1csc(Cl)n1 ZINC000852103841 588663903 /nfs/dbraw/zinc/66/39/03/588663903.db2.gz STMMPIPVFIXEOC-SNVBAGLBSA-N 1 2 228.748 2.688 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000852319500 588678026 /nfs/dbraw/zinc/67/80/26/588678026.db2.gz NUKGITXKCBFGDG-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000852319500 588678027 /nfs/dbraw/zinc/67/80/27/588678027.db2.gz NUKGITXKCBFGDG-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852648862 588694228 /nfs/dbraw/zinc/69/42/28/588694228.db2.gz FWFMNTIHVPSPQZ-UHFFFAOYSA-N 1 2 241.762 2.630 20 30 BFEDLO C=C(Cl)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852648862 588694229 /nfs/dbraw/zinc/69/42/29/588694229.db2.gz FWFMNTIHVPSPQZ-UHFFFAOYSA-N 1 2 241.762 2.630 20 30 BFEDLO Cc1c(F)nccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000862321144 589200381 /nfs/dbraw/zinc/20/03/81/589200381.db2.gz YUHSIRPFAZMJEL-AWEZNQCLSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1c(F)nccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000862321144 589200383 /nfs/dbraw/zinc/20/03/83/589200383.db2.gz YUHSIRPFAZMJEL-AWEZNQCLSA-N 1 2 247.317 2.655 20 30 BFEDLO CC[C@@H]1CCCC[C@H]1C[N@@H+](CC#N)CCOC ZINC000862388810 589207323 /nfs/dbraw/zinc/20/73/23/589207323.db2.gz KMAZKMKBOJWLGE-KGLIPLIRSA-N 1 2 238.375 2.675 20 30 BFEDLO CC[C@@H]1CCCC[C@H]1C[N@H+](CC#N)CCOC ZINC000862388810 589207324 /nfs/dbraw/zinc/20/73/24/589207324.db2.gz KMAZKMKBOJWLGE-KGLIPLIRSA-N 1 2 238.375 2.675 20 30 BFEDLO CC1(c2ccccc2)CC(=[NH+]n2cccn2)C1 ZINC000863166072 589267011 /nfs/dbraw/zinc/26/70/11/589267011.db2.gz RVHZGGPJAFXPNT-UHFFFAOYSA-N 1 2 225.295 2.839 20 30 BFEDLO c1cnn([NH+]=C(Cc2ccccc2)C2CC2)c1 ZINC000863165656 589267375 /nfs/dbraw/zinc/26/73/75/589267375.db2.gz JTVPBRTZHYMIAO-UHFFFAOYSA-N 1 2 225.295 2.740 20 30 BFEDLO C=C(C)CCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865849809 589465049 /nfs/dbraw/zinc/46/50/49/589465049.db2.gz KCGOEJJMULBHFL-UHFFFAOYSA-N 1 2 236.706 2.989 20 30 BFEDLO CC(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866214014 589480820 /nfs/dbraw/zinc/48/08/20/589480820.db2.gz GJKYVLGZRMNUMP-NSHDSACASA-N 1 2 232.327 2.961 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(C#N)c1O ZINC000866218736 589481513 /nfs/dbraw/zinc/48/15/13/589481513.db2.gz WZBUDAMJXYAQQS-VHSXEESVSA-N 1 2 230.311 2.713 20 30 BFEDLO C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866246997 589482724 /nfs/dbraw/zinc/48/27/24/589482724.db2.gz PPGWJRXLYWHAAK-WDEREUQCSA-N 1 2 244.338 2.961 20 30 BFEDLO C[C@@H]([NH2+]CCCCC#N)c1cccc(C#N)c1O ZINC000866258507 589483168 /nfs/dbraw/zinc/48/31/68/589483168.db2.gz UNPSOXJFGFAVQZ-LLVKDONJSA-N 1 2 243.310 2.608 20 30 BFEDLO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866296404 589484550 /nfs/dbraw/zinc/48/45/50/589484550.db2.gz BQUXTNJQCQJBME-QWRGUYRKSA-N 1 2 230.311 2.879 20 30 BFEDLO C[C@@H]([NH2+]C1CC(C)C1)c1cccc(C#N)c1O ZINC000866304032 589485370 /nfs/dbraw/zinc/48/53/70/589485370.db2.gz ZEVPSTRQYQXHOZ-SQLBVSGCSA-N 1 2 230.311 2.713 20 30 BFEDLO C#CCCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866304548 589485399 /nfs/dbraw/zinc/48/53/99/589485399.db2.gz FFSYUZTYHWCHIW-GFCCVEGCSA-N 1 2 242.322 2.718 20 30 BFEDLO C=CCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866351787 589487845 /nfs/dbraw/zinc/48/78/45/589487845.db2.gz MTFHRNCMIGTIME-NSHDSACASA-N 1 2 230.311 2.881 20 30 BFEDLO C[C@@H]([NH2+]CCCCF)c1cccc(C#N)c1O ZINC000866363013 589487882 /nfs/dbraw/zinc/48/78/82/589487882.db2.gz GVXUKPLWPDVBJS-SNVBAGLBSA-N 1 2 236.290 2.664 20 30 BFEDLO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc(C#N)c1O ZINC000866359326 589488042 /nfs/dbraw/zinc/48/80/42/589488042.db2.gz SFYCLTRYLFCLAH-KWBADKCTSA-N 1 2 230.311 2.713 20 30 BFEDLO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866367331 589488208 /nfs/dbraw/zinc/48/82/08/589488208.db2.gz HVDUSSVZAMLDJC-WZRBSPASSA-N 1 2 244.338 2.961 20 30 BFEDLO C[C@H]([NH2+]CC(C)(C)F)c1cccc(C#N)c1O ZINC000866410147 589491380 /nfs/dbraw/zinc/49/13/80/589491380.db2.gz XHYLMXLQASSJOP-VIFPVBQESA-N 1 2 236.290 2.663 20 30 BFEDLO CN(C)c1ccc([NH2+][C@H]2CC[C@@H](C#N)C2)cc1F ZINC000866626397 589505879 /nfs/dbraw/zinc/50/58/79/589505879.db2.gz UBRIDQUBAWUABI-MNOVXSKESA-N 1 2 247.317 2.996 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NNC1CCC(C)(C)CC1 ZINC000872395071 589932741 /nfs/dbraw/zinc/93/27/41/589932741.db2.gz BBOUJIGJTFAHLK-UHFFFAOYSA-N 1 2 234.347 2.610 20 30 BFEDLO NC(Cc1ccccc1Cl)=[NH+]OCC1CC1 ZINC000124092807 589940371 /nfs/dbraw/zinc/94/03/71/589940371.db2.gz OHFJPNZLMJGUNO-UHFFFAOYSA-N 1 2 238.718 2.581 20 30 BFEDLO CC1(C)C[C@@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000124154382 589952475 /nfs/dbraw/zinc/95/24/75/589952475.db2.gz UKKXGLXWMVYDQY-XBUHWIKASA-N 1 2 233.311 2.769 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)C)sn1 ZINC000876529033 590209759 /nfs/dbraw/zinc/20/97/59/590209759.db2.gz CVVVPIBITDECHZ-UHFFFAOYSA-N 1 2 237.372 2.823 20 30 BFEDLO Cc1cc(C[N@H+](CCC#N)CC(C)C)sn1 ZINC000876529033 590209761 /nfs/dbraw/zinc/20/97/61/590209761.db2.gz CVVVPIBITDECHZ-UHFFFAOYSA-N 1 2 237.372 2.823 20 30 BFEDLO C#CCCCCCC[N@H+]1CCC(F)(F)C1 ZINC000877141055 590291875 /nfs/dbraw/zinc/29/18/75/590291875.db2.gz QYCHHBPFDSOKTC-UHFFFAOYSA-N 1 2 215.287 2.911 20 30 BFEDLO C#CCCCCCC[N@@H+]1CCC(F)(F)C1 ZINC000877141055 590291876 /nfs/dbraw/zinc/29/18/76/590291876.db2.gz QYCHHBPFDSOKTC-UHFFFAOYSA-N 1 2 215.287 2.911 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1nc(Cl)cs1 ZINC000877148992 590292938 /nfs/dbraw/zinc/29/29/38/590292938.db2.gz AVFNWBCLVJGZGI-UHFFFAOYSA-N 1 2 223.128 2.639 20 30 BFEDLO C=C(Cl)C[C@@H]([NH2+]C[C@H](C)CC)C(=O)OCC ZINC000877671607 590389574 /nfs/dbraw/zinc/38/95/74/590389574.db2.gz LMIONNBMMRDVBA-MWLCHTKSSA-N 1 2 247.766 2.696 20 30 BFEDLO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)nc1Cl ZINC000878035014 590475885 /nfs/dbraw/zinc/47/58/85/590475885.db2.gz NOGHHLSGTGVOSM-SECBINFHSA-N 1 2 237.734 2.635 20 30 BFEDLO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)nc1Cl ZINC000878035014 590475887 /nfs/dbraw/zinc/47/58/87/590475887.db2.gz NOGHHLSGTGVOSM-SECBINFHSA-N 1 2 237.734 2.635 20 30 BFEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)nc1Cl ZINC000878035015 590476310 /nfs/dbraw/zinc/47/63/10/590476310.db2.gz NOGHHLSGTGVOSM-VIFPVBQESA-N 1 2 237.734 2.635 20 30 BFEDLO Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)nc1Cl ZINC000878035015 590476312 /nfs/dbraw/zinc/47/63/12/590476312.db2.gz NOGHHLSGTGVOSM-VIFPVBQESA-N 1 2 237.734 2.635 20 30 BFEDLO C=CC[C@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000878157708 590509350 /nfs/dbraw/zinc/50/93/50/590509350.db2.gz KPLLWPLWPOBBLX-BXUZGUMPSA-N 1 2 245.322 2.681 20 30 BFEDLO C=CC[C@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@H]1C ZINC000878157708 590509351 /nfs/dbraw/zinc/50/93/51/590509351.db2.gz KPLLWPLWPOBBLX-BXUZGUMPSA-N 1 2 245.322 2.681 20 30 BFEDLO C[N@H+](CCC#N)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878175468 590516556 /nfs/dbraw/zinc/51/65/56/590516556.db2.gz SGQUSMBLVMWWAM-CABCVRRESA-N 1 2 244.338 2.752 20 30 BFEDLO C[N@@H+](CCC#N)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878175468 590516558 /nfs/dbraw/zinc/51/65/58/590516558.db2.gz SGQUSMBLVMWWAM-CABCVRRESA-N 1 2 244.338 2.752 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)nc1Cl ZINC000878188014 590519985 /nfs/dbraw/zinc/51/99/85/590519985.db2.gz CKNOSOZAZMCSDG-SNVBAGLBSA-N 1 2 237.734 2.777 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)nc1Cl ZINC000878188014 590519986 /nfs/dbraw/zinc/51/99/86/590519986.db2.gz CKNOSOZAZMCSDG-SNVBAGLBSA-N 1 2 237.734 2.777 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878516443 590584619 /nfs/dbraw/zinc/58/46/19/590584619.db2.gz FOAANCRBJUBGOV-NSHDSACASA-N 1 2 246.354 2.643 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878516443 590584621 /nfs/dbraw/zinc/58/46/21/590584621.db2.gz FOAANCRBJUBGOV-NSHDSACASA-N 1 2 246.354 2.643 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCCC(C)(C)O1 ZINC000878639830 590599837 /nfs/dbraw/zinc/59/98/37/590599837.db2.gz WLSKSNKNZMHYBQ-ZDUSSCGKSA-N 1 2 236.359 2.736 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCCC(C)(C)O1 ZINC000878639830 590599838 /nfs/dbraw/zinc/59/98/38/590599838.db2.gz WLSKSNKNZMHYBQ-ZDUSSCGKSA-N 1 2 236.359 2.736 20 30 BFEDLO C#C[C@](C)(CC)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000878908545 590645567 /nfs/dbraw/zinc/64/55/67/590645567.db2.gz OQJQGXYXOLBYCW-CQSZACIVSA-N 1 2 245.326 2.622 20 30 BFEDLO C[C@@H](C#N)[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC000878920152 590651956 /nfs/dbraw/zinc/65/19/56/590651956.db2.gz UXSQGTUKZHQISI-NSHDSACASA-N 1 2 218.344 2.943 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC000878920152 590651959 /nfs/dbraw/zinc/65/19/59/590651959.db2.gz UXSQGTUKZHQISI-NSHDSACASA-N 1 2 218.344 2.943 20 30 BFEDLO N#Cc1c(F)cccc1C[NH+]1CCC(F)CC1 ZINC000880240013 590973987 /nfs/dbraw/zinc/97/39/87/590973987.db2.gz WLMLEUSKOUNXGI-UHFFFAOYSA-N 1 2 236.265 2.631 20 30 BFEDLO C=CC[C@@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000882163032 591309508 /nfs/dbraw/zinc/30/95/08/591309508.db2.gz YVLDPLUKSRKIJN-MRVPVSSYSA-N 1 2 223.345 2.678 20 30 BFEDLO C=CC[C@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000882163033 591309818 /nfs/dbraw/zinc/30/98/18/591309818.db2.gz YVLDPLUKSRKIJN-QMMMGPOBSA-N 1 2 223.345 2.678 20 30 BFEDLO Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)c[nH+]c1C ZINC000883342795 591623483 /nfs/dbraw/zinc/62/34/83/591623483.db2.gz MPJCVUDGYCPZLS-VXGBXAGGSA-N 1 2 215.300 2.803 20 30 BFEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ncco1 ZINC000886539236 592252764 /nfs/dbraw/zinc/25/27/64/592252764.db2.gz WWROTMQVNXOBCZ-GHMZBOCLSA-N 1 2 241.294 2.958 20 30 BFEDLO COc1cccc(/C=[NH+]/CC(C)(C)C)c1O ZINC000066887743 634515498 /nfs/dbraw/zinc/51/54/98/634515498.db2.gz NNHSKSNYHVXRSW-RIYZIHGNSA-N 1 2 221.300 2.866 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CCc1nccs1 ZINC000255337013 631287781 /nfs/dbraw/zinc/28/77/81/631287781.db2.gz YKZAKRUMJBZBIE-LCYFTJDESA-N 1 2 232.308 2.510 20 30 BFEDLO C#CC[N@@H+](CC)Cc1sccc1Cl ZINC000308388148 631308708 /nfs/dbraw/zinc/30/87/08/631308708.db2.gz YFVYHKMBQJDVMK-UHFFFAOYSA-N 1 2 213.733 2.857 20 30 BFEDLO C#CC[N@H+](CC)Cc1sccc1Cl ZINC000308388148 631308712 /nfs/dbraw/zinc/30/87/12/631308712.db2.gz YFVYHKMBQJDVMK-UHFFFAOYSA-N 1 2 213.733 2.857 20 30 BFEDLO Oc1ccc(/C=[NH+]\CCC2CCCC2)c(O)c1O ZINC000255362896 631339676 /nfs/dbraw/zinc/33/96/76/631339676.db2.gz WVJDUDNVKCHXTH-DHDCSXOGSA-N 1 2 249.310 2.803 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CCCc1ccccn1 ZINC000178764028 635690039 /nfs/dbraw/zinc/69/00/39/635690039.db2.gz GSAKIQNDCSBBDL-FOWTUZBSSA-N 1 2 240.306 2.839 20 30 BFEDLO COc1ccc(Cl)cc1C[NH2+]C[C@H](C)C#N ZINC000054181658 636047755 /nfs/dbraw/zinc/04/77/55/636047755.db2.gz RQAWMLIIIJBCKI-SECBINFHSA-N 1 2 238.718 2.598 20 30 BFEDLO C=C(C)CCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000194952100 636060847 /nfs/dbraw/zinc/06/08/47/636060847.db2.gz NDNYKDWRYLXJIJ-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1cccc(O)c1Cl ZINC000328209935 633741486 /nfs/dbraw/zinc/74/14/86/633741486.db2.gz IIHNNKUIMIZLBS-UHFFFAOYSA-N 1 2 232.110 2.888 20 30 BFEDLO C#C[C@H]1CCC[N@@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930887525 634154063 /nfs/dbraw/zinc/15/40/63/634154063.db2.gz ZIURBOZFQHLONY-LBPRGKRZSA-N 1 2 246.354 2.817 20 30 BFEDLO C#C[C@H]1CCC[N@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930887525 634154071 /nfs/dbraw/zinc/15/40/71/634154071.db2.gz ZIURBOZFQHLONY-LBPRGKRZSA-N 1 2 246.354 2.817 20 30 BFEDLO Cn1c[nH+]cc1-c1ccc(C2CC2)c(C#N)c1 ZINC000906201650 638103710 /nfs/dbraw/zinc/10/37/10/638103710.db2.gz ZEMFHYFBEURFSD-UHFFFAOYSA-N 1 2 223.279 2.836 20 30 BFEDLO C[N@H+](Cc1ccsc1)[C@H]1CCC[C@@H]1C#N ZINC000035719200 639866317 /nfs/dbraw/zinc/86/63/17/639866317.db2.gz JRYHEMHLAGVZDJ-NEPJUHHUSA-N 1 2 220.341 2.872 20 30 BFEDLO C[N@@H+](Cc1ccsc1)[C@H]1CCC[C@@H]1C#N ZINC000035719200 639866326 /nfs/dbraw/zinc/86/63/26/639866326.db2.gz JRYHEMHLAGVZDJ-NEPJUHHUSA-N 1 2 220.341 2.872 20 30 BFEDLO Cc1cc(C)nc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000931477622 640230904 /nfs/dbraw/zinc/23/09/04/640230904.db2.gz YTEQJMKEWJJOMQ-DZGCQCFKSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1cc(C)nc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000931477622 640230909 /nfs/dbraw/zinc/23/09/09/640230909.db2.gz YTEQJMKEWJJOMQ-DZGCQCFKSA-N 1 2 243.354 2.823 20 30 BFEDLO CCCCCCCNC(=O)CNc1cccc[nH+]1 ZINC000912971137 640268965 /nfs/dbraw/zinc/26/89/65/640268965.db2.gz JESAEVUHCVREBJ-UHFFFAOYSA-N 1 2 249.358 2.580 20 30 BFEDLO Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932161355 640445746 /nfs/dbraw/zinc/44/57/46/640445746.db2.gz MLGWQNPZUXBTPI-AWEZNQCLSA-N 1 2 244.338 2.609 20 30 BFEDLO Cc1ccccc1OCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932161355 640445748 /nfs/dbraw/zinc/44/57/48/640445748.db2.gz MLGWQNPZUXBTPI-AWEZNQCLSA-N 1 2 244.338 2.609 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1cccc(Cl)c1O ZINC000164688154 640499401 /nfs/dbraw/zinc/49/94/01/640499401.db2.gz OBRZIKLRQHLEJH-UHFFFAOYSA-N 1 2 238.718 2.685 20 30 BFEDLO C#CC[N@H+](Cc1ncccc1Cl)C(C)C ZINC000932383225 640511518 /nfs/dbraw/zinc/51/15/18/640511518.db2.gz HLSHSQFDTRYLFM-UHFFFAOYSA-N 1 2 222.719 2.579 20 30 BFEDLO C#CC[N@@H+](Cc1ncccc1Cl)C(C)C ZINC000932383225 640511530 /nfs/dbraw/zinc/51/15/30/640511530.db2.gz HLSHSQFDTRYLFM-UHFFFAOYSA-N 1 2 222.719 2.579 20 30 BFEDLO C#CC[N@@H+](Cc1nc(CC(C)C)no1)C(C)(C)C ZINC000932465783 640537209 /nfs/dbraw/zinc/53/72/09/640537209.db2.gz MIQXRLPVZDSTIC-UHFFFAOYSA-N 1 2 249.358 2.502 20 30 BFEDLO C#CC[N@H+](Cc1nc(CC(C)C)no1)C(C)(C)C ZINC000932465783 640537214 /nfs/dbraw/zinc/53/72/14/640537214.db2.gz MIQXRLPVZDSTIC-UHFFFAOYSA-N 1 2 249.358 2.502 20 30 BFEDLO C[C@@H]1C(=O)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000932843794 640616507 /nfs/dbraw/zinc/61/65/07/640616507.db2.gz CVTBVDZHERFDNF-GFCCVEGCSA-N 1 2 236.359 2.760 20 30 BFEDLO C[C@@H]1C(=O)CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000932843794 640616514 /nfs/dbraw/zinc/61/65/14/640616514.db2.gz CVTBVDZHERFDNF-GFCCVEGCSA-N 1 2 236.359 2.760 20 30 BFEDLO C[C@H]1CCC(=O)C[N@@H+]1CCCCC(C)(C)C#N ZINC000932876120 640635437 /nfs/dbraw/zinc/63/54/37/640635437.db2.gz IDYVXWKDEQLNQU-LBPRGKRZSA-N 1 2 236.359 2.760 20 30 BFEDLO C[C@H]1CCC(=O)C[N@H+]1CCCCC(C)(C)C#N ZINC000932876120 640635439 /nfs/dbraw/zinc/63/54/39/640635439.db2.gz IDYVXWKDEQLNQU-LBPRGKRZSA-N 1 2 236.359 2.760 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000934513705 641181195 /nfs/dbraw/zinc/18/11/95/641181195.db2.gz BXGJRAFJMJKULP-CQSZACIVSA-N 1 2 242.297 2.685 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000934513705 641181196 /nfs/dbraw/zinc/18/11/96/641181196.db2.gz BXGJRAFJMJKULP-CQSZACIVSA-N 1 2 242.297 2.685 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(F)nc1 ZINC000929428111 641313116 /nfs/dbraw/zinc/31/31/16/641313116.db2.gz CELXAWWIASOMRK-MNOVXSKESA-N 1 2 235.306 2.763 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(F)nc1 ZINC000929428111 641313122 /nfs/dbraw/zinc/31/31/22/641313122.db2.gz CELXAWWIASOMRK-MNOVXSKESA-N 1 2 235.306 2.763 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1ccc(F)nc1 ZINC000929428110 641313555 /nfs/dbraw/zinc/31/35/55/641313555.db2.gz CELXAWWIASOMRK-GHMZBOCLSA-N 1 2 235.306 2.763 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1ccc(F)nc1 ZINC000929428110 641313557 /nfs/dbraw/zinc/31/35/57/641313557.db2.gz CELXAWWIASOMRK-GHMZBOCLSA-N 1 2 235.306 2.763 20 30 BFEDLO C=CCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935439339 641407911 /nfs/dbraw/zinc/40/79/11/641407911.db2.gz YTWBHNCAUPUNOA-UHFFFAOYSA-N 1 2 243.310 2.649 20 30 BFEDLO C#CC[NH+](CC#C)Cc1ccccc1OC(C)C ZINC000076185642 641797843 /nfs/dbraw/zinc/79/78/43/641797843.db2.gz SFYWYMBRDSBWPD-UHFFFAOYSA-N 1 2 241.334 2.542 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000847017312 642385874 /nfs/dbraw/zinc/38/58/74/642385874.db2.gz BRSSIHKLXOGTAA-LLVKDONJSA-N 1 2 249.383 2.507 20 30 BFEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000847017312 642385877 /nfs/dbraw/zinc/38/58/77/642385877.db2.gz BRSSIHKLXOGTAA-LLVKDONJSA-N 1 2 249.383 2.507 20 30 BFEDLO COc1cccc(/C=[NH+]/C[C@@H](C)C2CC2)c1O ZINC000920177805 642447851 /nfs/dbraw/zinc/44/78/51/642447851.db2.gz LACJYCBGUNLBON-KXUVPBGPSA-N 1 2 233.311 2.866 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\C[C@H](C)C2CC2)c1 ZINC000920177410 642447885 /nfs/dbraw/zinc/44/78/85/642447885.db2.gz GOHVTQFYWCRLGA-QNKACBJSSA-N 1 2 233.311 2.866 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/C[C@H](C)C2CC2)c1 ZINC000920177408 642448568 /nfs/dbraw/zinc/44/85/68/642448568.db2.gz GOHVTQFYWCRLGA-CNOAHFENSA-N 1 2 233.311 2.866 20 30 BFEDLO C=CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000891416929 642496189 /nfs/dbraw/zinc/49/61/89/642496189.db2.gz FVKXXMVHPDFCGG-UHFFFAOYSA-N 1 2 203.289 2.650 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1CC(=C)Br ZINC000306508746 642745022 /nfs/dbraw/zinc/74/50/22/642745022.db2.gz ITDWVUCTVJFRPG-SNVBAGLBSA-N 1 2 230.149 2.936 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=C)Br ZINC000306508746 642745029 /nfs/dbraw/zinc/74/50/29/642745029.db2.gz ITDWVUCTVJFRPG-SNVBAGLBSA-N 1 2 230.149 2.936 20 30 BFEDLO C=C[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187589327 643197950 /nfs/dbraw/zinc/19/79/50/643197950.db2.gz BGFZHBPQDMJGSR-NSHDSACASA-N 1 2 242.278 2.604 20 30 BFEDLO C#CC[N@H+](Cc1ncc(C2CC2)o1)C(C)(C)C ZINC000932464366 643271330 /nfs/dbraw/zinc/27/13/30/643271330.db2.gz YCZIMWLCMLETOW-UHFFFAOYSA-N 1 2 232.327 2.786 20 30 BFEDLO C#CC[N@@H+](Cc1ncc(C2CC2)o1)C(C)(C)C ZINC000932464366 643271339 /nfs/dbraw/zinc/27/13/39/643271339.db2.gz YCZIMWLCMLETOW-UHFFFAOYSA-N 1 2 232.327 2.786 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CCc1cscn1 ZINC000255114544 643438794 /nfs/dbraw/zinc/43/87/94/643438794.db2.gz UJKZHESFZNHQKZ-QPEQYQDCSA-N 1 2 232.308 2.510 20 30 BFEDLO Cc1csc(C[NH2+]Cc2csc(C#N)c2)n1 ZINC000921523997 643583276 /nfs/dbraw/zinc/58/32/76/643583276.db2.gz XIEIUGNPLAHSNA-UHFFFAOYSA-N 1 2 249.364 2.675 20 30 BFEDLO Cc1ccc(CO[NH+]=C(N)c2ccccc2)cc1 ZINC000047823497 643588479 /nfs/dbraw/zinc/58/84/79/643588479.db2.gz JMHHGFQJSHSYDP-UHFFFAOYSA-N 1 2 240.306 2.832 20 30 BFEDLO Cc1cc(C#N)cc(C)c1C[NH2+]C(CF)CF ZINC000922151578 643872911 /nfs/dbraw/zinc/87/29/11/643872911.db2.gz PFFUJXJOAXSTMM-UHFFFAOYSA-N 1 2 238.281 2.572 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000086169203 643942050 /nfs/dbraw/zinc/94/20/50/643942050.db2.gz YXTPJZROCZFEDZ-UHFFFAOYSA-N 1 2 241.718 2.585 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000086169203 643942053 /nfs/dbraw/zinc/94/20/53/643942053.db2.gz YXTPJZROCZFEDZ-UHFFFAOYSA-N 1 2 241.718 2.585 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828040434 645092242 /nfs/dbraw/zinc/09/22/42/645092242.db2.gz HMMHATDAHZQHPB-DTWKUNHWSA-N 1 2 235.158 2.804 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828040434 645092238 /nfs/dbraw/zinc/09/22/38/645092238.db2.gz HMMHATDAHZQHPB-DTWKUNHWSA-N 1 2 235.158 2.804 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(O)cc(F)c1 ZINC000926626578 645321722 /nfs/dbraw/zinc/32/17/22/645321722.db2.gz KIVKKEZJXZIIPU-JTQLQIEISA-N 1 2 248.301 2.876 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929475165 646134264 /nfs/dbraw/zinc/13/42/64/646134264.db2.gz SZHCISQZERFMBF-SNVBAGLBSA-N 1 2 247.729 2.803 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929475165 646134269 /nfs/dbraw/zinc/13/42/69/646134269.db2.gz SZHCISQZERFMBF-SNVBAGLBSA-N 1 2 247.729 2.803 20 30 BFEDLO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(C#N)c1O ZINC000924949168 646136623 /nfs/dbraw/zinc/13/66/23/646136623.db2.gz KQAINWBUKRJRHO-JIMOISOXSA-N 1 2 230.311 2.713 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(Cl)cc(C#N)c1 ZINC000929774339 646302821 /nfs/dbraw/zinc/30/28/21/646302821.db2.gz NCZAVGHEOVTBBW-UHFFFAOYSA-N 1 2 247.729 2.947 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)cc(C#N)c1 ZINC000929774339 646302825 /nfs/dbraw/zinc/30/28/25/646302825.db2.gz NCZAVGHEOVTBBW-UHFFFAOYSA-N 1 2 247.729 2.947 20 30 BFEDLO COc1cccc(C[N@H+](C)[C@H](C)CC#N)c1C ZINC000929830141 646347939 /nfs/dbraw/zinc/34/79/39/646347939.db2.gz AOMZWCCNAYYMSR-LLVKDONJSA-N 1 2 232.327 2.738 20 30 BFEDLO COc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1C ZINC000929830141 646347940 /nfs/dbraw/zinc/34/79/40/646347940.db2.gz AOMZWCCNAYYMSR-LLVKDONJSA-N 1 2 232.327 2.738 20 30 BFEDLO CC(=[NH+]OCC(C)C)c1cc(N)ccc1F ZINC000378853513 712366299 /nfs/dbraw/zinc/36/62/99/712366299.db2.gz HWSHEDUFDGRCEC-UHFFFAOYSA-N 1 2 224.279 2.805 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccncc1Cl ZINC000903107024 710892663 /nfs/dbraw/zinc/89/26/63/710892663.db2.gz ZMLRHERJPDRZEA-VIFPVBQESA-N 1 2 235.718 2.689 20 30 BFEDLO Cc1nccnc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903109517 710891971 /nfs/dbraw/zinc/89/19/71/710891971.db2.gz QMQNLNSDZDRNHA-GFCCVEGCSA-N 1 2 244.342 2.520 20 30 BFEDLO C=CCC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894531659 711771826 /nfs/dbraw/zinc/77/18/26/711771826.db2.gz CCSTXCJYLDGQSB-UHFFFAOYSA-N 1 2 227.254 2.678 20 30 BFEDLO C=CCC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894531659 711771827 /nfs/dbraw/zinc/77/18/27/711771827.db2.gz CCSTXCJYLDGQSB-UHFFFAOYSA-N 1 2 227.254 2.678 20 30 BFEDLO Cc1conc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000708315059 712186570 /nfs/dbraw/zinc/18/65/70/712186570.db2.gz LTCPWAQOVYYNPX-LLVKDONJSA-N 1 2 241.294 2.706 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCC[C@H]1C#N ZINC000879307860 712633035 /nfs/dbraw/zinc/63/30/35/712633035.db2.gz FPUKKOVDAOZYCQ-NWDGAFQWSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCC[C@H]1C#N ZINC000879307860 712633036 /nfs/dbraw/zinc/63/30/36/712633036.db2.gz FPUKKOVDAOZYCQ-NWDGAFQWSA-N 1 2 249.745 2.859 20 30 BFEDLO Cc1cc(C)c(C[N@@H+]2CCC[C@H](C#N)C2)c(C)n1 ZINC000932153323 712715706 /nfs/dbraw/zinc/71/57/06/712715706.db2.gz ZEZAHIYDNMMEMP-CQSZACIVSA-N 1 2 243.354 2.742 20 30 BFEDLO Cc1cc(C)c(C[N@H+]2CCC[C@H](C#N)C2)c(C)n1 ZINC000932153323 712715707 /nfs/dbraw/zinc/71/57/07/712715707.db2.gz ZEZAHIYDNMMEMP-CQSZACIVSA-N 1 2 243.354 2.742 20 30 BFEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)ccc1C ZINC000932155168 712716407 /nfs/dbraw/zinc/71/64/07/712716407.db2.gz XWWANMWCVSWFAO-AWEZNQCLSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)C2)ccc1C ZINC000932155168 712716410 /nfs/dbraw/zinc/71/64/10/712716410.db2.gz XWWANMWCVSWFAO-AWEZNQCLSA-N 1 2 244.338 2.739 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(Cl)s1 ZINC000718808214 712783327 /nfs/dbraw/zinc/78/33/27/712783327.db2.gz SWIHCMQRGMUCQQ-ZETCQYMHSA-N 1 2 229.736 2.578 20 30 BFEDLO Cc1conc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000720420143 712841193 /nfs/dbraw/zinc/84/11/93/712841193.db2.gz QJHMNHYJEXYIDT-NSHDSACASA-N 1 2 241.294 2.706 20 30 BFEDLO N#CC1([NH2+][C@H]2C[C@H]3C[C@H]3C2)CCCCC1 ZINC001167903222 961693650 /nfs/dbraw/zinc/69/36/50/961693650.db2.gz SWJZEWPFEAGTPN-GDNZZTSVSA-N 1 2 204.317 2.601 20 30 BFEDLO C[C@H](CC(C)(C)C#N)[NH2+]C1(C(F)F)CC1 ZINC000697429664 963924267 /nfs/dbraw/zinc/92/42/67/963924267.db2.gz DLWGMOIBJXHFGA-MRVPVSSYSA-N 1 2 216.275 2.702 20 30 BFEDLO N#CCc1ccc(NCCC(F)(F)F)[nH+]c1 ZINC001161817004 964771329 /nfs/dbraw/zinc/77/13/29/964771329.db2.gz BLRULWKSVCVVDW-UHFFFAOYSA-N 1 2 229.205 2.512 20 30 BFEDLO CC(=O)C=C(C)Nc1[nH+]ccc(C)c1C ZINC001163736818 965554732 /nfs/dbraw/zinc/55/47/32/965554732.db2.gz GWUFPPUEBXKIQC-CLFYSBASSA-N 1 2 204.273 2.603 20 30 BFEDLO C=C(C)c1ccc(-n2cc[nH+]c2)cc1OC ZINC001240836886 968757771 /nfs/dbraw/zinc/75/77/71/968757771.db2.gz HHFYHJWVUWYLHX-UHFFFAOYSA-N 1 2 214.268 2.914 20 30 BFEDLO Cc1cc(NCC(C)(C)S)c[nH+]c1C ZINC001170305684 970695408 /nfs/dbraw/zinc/69/54/08/970695408.db2.gz ABPJMGXIFWAHMM-UHFFFAOYSA-N 1 2 210.346 2.819 20 30 BFEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(CC#N)CC1 ZINC001173330989 975280829 /nfs/dbraw/zinc/28/08/29/975280829.db2.gz YOTPUNXXADQDOX-BPCQOVAHSA-N 1 2 219.332 2.741 20 30 BFEDLO CC[C@](C)(C#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173589422 975435124 /nfs/dbraw/zinc/43/51/24/975435124.db2.gz YPLZRVRLSBCCBS-WXRRBKDZSA-N 1 2 219.332 2.741 20 30 BFEDLO N#Cc1ccc(-c2ccc[nH+]c2N)c2cc[nH]c21 ZINC001243474063 970764591 /nfs/dbraw/zinc/76/45/91/970764591.db2.gz SFHMNUQUDTVAHR-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(OC(C)C)cc1F 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Cc1cc(-c2cccc3[nH]c(C#N)cc32)c[nH+]c1N ZINC001245537321 971850101 /nfs/dbraw/zinc/85/01/01/971850101.db2.gz BTTPIVBAHUMNFI-UHFFFAOYSA-N 1 2 248.289 2.992 20 30 BFEDLO CN(C)c1cc(Cl)[nH+]c(NCCCS)c1 ZINC001170999205 972222794 /nfs/dbraw/zinc/22/27/94/972222794.db2.gz AMFDVTGLLQRDDP-UHFFFAOYSA-N 1 2 245.779 2.533 20 30 BFEDLO CC/C=C\CC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208724913 957143674 /nfs/dbraw/zinc/14/36/74/957143674.db2.gz FOPJLLGYPSQDDH-MVZIDQBPSA-N 1 2 237.368 2.617 20 30 BFEDLO CC/C=C\CC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208724913 957143678 /nfs/dbraw/zinc/14/36/78/957143678.db2.gz FOPJLLGYPSQDDH-MVZIDQBPSA-N 1 2 237.368 2.617 20 30 BFEDLO C=CCCCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001209423408 957441864 /nfs/dbraw/zinc/44/18/64/957441864.db2.gz OWPDIXGZIBIZBK-LBPRGKRZSA-N 1 2 227.323 2.736 20 30 BFEDLO C=CCCCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001209423408 957441878 /nfs/dbraw/zinc/44/18/78/957441878.db2.gz OWPDIXGZIBIZBK-LBPRGKRZSA-N 1 2 227.323 2.736 20 30 BFEDLO Cc1c[nH+]cc(Nc2cnccc2C#N)c1C ZINC001213525430 958205267 /nfs/dbraw/zinc/20/52/67/958205267.db2.gz WQFOJCIZEWRPIJ-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO C=C(C)C[C@H](OCCn1cc[nH+]c1)C(=C)C ZINC001222138287 972385576 /nfs/dbraw/zinc/38/55/76/972385576.db2.gz DJVFFBYVSXPCTD-ZDUSSCGKSA-N 1 2 220.316 2.811 20 30 BFEDLO C=C[C@H](C#CC(C)(C)C)OCc1c[nH+]cn1C ZINC001222600108 960719932 /nfs/dbraw/zinc/71/99/32/960719932.db2.gz JLKQWDKGRCYVLH-CYBMUJFWSA-N 1 2 232.327 2.541 20 30 BFEDLO C=CC[N@@H+](Cc1cc(C)n[nH]1)Cc1ccccc1 ZINC001203082459 960767410 /nfs/dbraw/zinc/76/74/10/960767410.db2.gz RWDUZOPMKPRMLE-UHFFFAOYSA-N 1 2 241.338 2.906 20 30 BFEDLO C=CC[N@H+](Cc1cc(C)n[nH]1)Cc1ccccc1 ZINC001203082459 960767428 /nfs/dbraw/zinc/76/74/28/960767428.db2.gz RWDUZOPMKPRMLE-UHFFFAOYSA-N 1 2 241.338 2.906 20 30 BFEDLO CCCCc1[nH]c(CN2CCCC[C@@H]2C#N)c[nH+]1 ZINC001141072436 960857811 /nfs/dbraw/zinc/85/78/11/960857811.db2.gz WBIOKUFPHHSLDS-CYBMUJFWSA-N 1 2 246.358 2.630 20 30 BFEDLO CCCCc1[nH]cc(CN2CCCC[C@@H]2C#N)[nH+]1 ZINC001141072436 960857814 /nfs/dbraw/zinc/85/78/14/960857814.db2.gz WBIOKUFPHHSLDS-CYBMUJFWSA-N 1 2 246.358 2.630 20 30 BFEDLO CCCCc1[nH]c(CN2CCCC[C@H]2C#N)c[nH+]1 ZINC001141072437 960861668 /nfs/dbraw/zinc/86/16/68/960861668.db2.gz WBIOKUFPHHSLDS-ZDUSSCGKSA-N 1 2 246.358 2.630 20 30 BFEDLO CCCCc1[nH]cc(CN2CCCC[C@H]2C#N)[nH+]1 ZINC001141072437 960861673 /nfs/dbraw/zinc/86/16/73/960861673.db2.gz WBIOKUFPHHSLDS-ZDUSSCGKSA-N 1 2 246.358 2.630 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167919348 961922553 /nfs/dbraw/zinc/92/25/53/961922553.db2.gz YXUXZZPOKYXPBY-MROQNXINSA-N 1 2 206.333 2.703 20 30 BFEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167930783 962055164 /nfs/dbraw/zinc/05/51/64/962055164.db2.gz LDXLYSGSINJTEX-FICVDOATSA-N 1 2 241.338 2.596 20 30 BFEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167930783 962055185 /nfs/dbraw/zinc/05/51/85/962055185.db2.gz LDXLYSGSINJTEX-FICVDOATSA-N 1 2 241.338 2.596 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](C)C1CCCCCC1)C(=O)OC ZINC000304213021 962475351 /nfs/dbraw/zinc/47/53/51/962475351.db2.gz ONOIOXSCJGTGOK-AAEUAGOBSA-N 1 2 239.359 2.663 20 30 BFEDLO CC[C@@H](C)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001167999016 963207760 /nfs/dbraw/zinc/20/77/60/963207760.db2.gz IXLWUGJJLUYPOO-SNVBAGLBSA-N 1 2 215.300 2.847 20 30 BFEDLO Cc1ccc(Nc2ccc(N)cc2C#N)c(C)[nH+]1 ZINC001203376730 963320165 /nfs/dbraw/zinc/32/01/65/963320165.db2.gz QKUGSUPSMQHNBF-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO C=C(C)C(=O)OCCNc1ccc(C(C)C)c[nH+]1 ZINC001157304712 963576475 /nfs/dbraw/zinc/57/64/75/963576475.db2.gz JMVHMJZDJWYBKO-UHFFFAOYSA-N 1 2 248.326 2.736 20 30 BFEDLO C#C[C@](C)(CC)Nc1nc(C)[nH+]c(C)c1C ZINC001158742142 963913526 /nfs/dbraw/zinc/91/35/26/963913526.db2.gz BUQDLRROUUROKB-CYBMUJFWSA-N 1 2 217.316 2.616 20 30 BFEDLO C#C[C@](C)(CC)Nc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001158742577 963913942 /nfs/dbraw/zinc/91/39/42/963913942.db2.gz IDDRZLZSMJFNRE-CQSZACIVSA-N 1 2 238.294 2.648 20 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CC(C)(C)C(=[NH2+])Nc1ncc2c(c1C#N)CCC2 ZINC001162661609 965099316 /nfs/dbraw/zinc/09/93/16/965099316.db2.gz XHRLIXQEESMLDY-UHFFFAOYSA-N 1 2 242.326 2.877 20 30 BFEDLO C=C(C)CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001163381578 965390373 /nfs/dbraw/zinc/39/03/73/965390373.db2.gz UXIVPYSWIRQFSZ-UHFFFAOYSA-N 1 2 231.274 2.999 20 30 BFEDLO N#Cc1ccc(O)c(C[N@@H+]2CC3CCC2CC3)c1 ZINC001232677073 965391494 /nfs/dbraw/zinc/39/14/94/965391494.db2.gz ABCQNBFLKJLVIT-UHFFFAOYSA-N 1 2 242.322 2.638 20 30 BFEDLO N#Cc1ccc(O)c(C[N@H+]2CC3CCC2CC3)c1 ZINC001232677073 965391503 /nfs/dbraw/zinc/39/15/03/965391503.db2.gz ABCQNBFLKJLVIT-UHFFFAOYSA-N 1 2 242.322 2.638 20 30 BFEDLO N#CCCc1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001236312961 966360929 /nfs/dbraw/zinc/36/09/29/966360929.db2.gz CMJDLSQRBOVMEB-UHFFFAOYSA-N 1 2 223.279 2.787 20 30 BFEDLO CNc1ccc(Nc2ccc(C#N)c(C#N)c2)c[nH+]1 ZINC001203458856 966653972 /nfs/dbraw/zinc/65/39/72/966653972.db2.gz RVNIYZNWCODHPF-UHFFFAOYSA-N 1 2 249.277 2.610 20 30 BFEDLO CNc1ccc(Nc2ccc(C#N)cc2C#N)c[nH+]1 ZINC001203462066 966662704 /nfs/dbraw/zinc/66/27/04/966662704.db2.gz IMMGOCDRMDDOLB-UHFFFAOYSA-N 1 2 249.277 2.610 20 30 BFEDLO Cc1c[nH+]c(C)c(Nc2cc(F)cnc2C#N)c1 ZINC001203660816 966725891 /nfs/dbraw/zinc/72/58/91/966725891.db2.gz OCFSVNJJKQZGCG-UHFFFAOYSA-N 1 2 242.257 2.848 20 30 BFEDLO Cc1cc(O)c[nH+]c1Nc1ccc(C#N)c(F)c1 ZINC001204028168 966858292 /nfs/dbraw/zinc/85/82/92/966858292.db2.gz IROXDMUNGQJRFI-UHFFFAOYSA-N 1 2 243.241 2.850 20 30 BFEDLO COc1cc2ccccc2cc1C[NH2+]CCC#N ZINC000449288839 966906595 /nfs/dbraw/zinc/90/65/95/966906595.db2.gz OPBYSGDXDKVBEH-UHFFFAOYSA-N 1 2 240.306 2.852 20 30 BFEDLO C#CC[N@@H+](C)Cc1c(F)cccc1C(F)(F)F ZINC001204464261 967001620 /nfs/dbraw/zinc/00/16/20/967001620.db2.gz DNUYBGNKMKBVFF-UHFFFAOYSA-N 1 2 245.219 2.910 20 30 BFEDLO C#CC[N@H+](C)Cc1c(F)cccc1C(F)(F)F ZINC001204464261 967001632 /nfs/dbraw/zinc/00/16/32/967001632.db2.gz DNUYBGNKMKBVFF-UHFFFAOYSA-N 1 2 245.219 2.910 20 30 BFEDLO N#Cc1ccc(Nc2ccn3cc[nH+]c3c2)cc1 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ZINC001163160204 967991570 /nfs/dbraw/zinc/99/15/70/967991570.db2.gz ZQNHYZDZMPVEIA-NSHDSACASA-N 1 2 240.306 2.985 20 30 BFEDLO CC(=O)C=C(C)Nc1cc(OCC2CC2)cc[nH+]1 ZINC001163737959 968109924 /nfs/dbraw/zinc/10/99/24/968109924.db2.gz NLIUXVSYQVIASQ-YFHOEESVSA-N 1 2 246.310 2.775 20 30 BFEDLO C=CCCc1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC001250599181 968136121 /nfs/dbraw/zinc/13/61/21/968136121.db2.gz RWGBYSBNVAIFHZ-UHFFFAOYSA-N 1 2 208.211 2.960 20 30 BFEDLO C#CCCc1[nH]c2cc3c(cc2[nH+]1)CCC3 ZINC001250605734 968153826 /nfs/dbraw/zinc/15/38/26/968153826.db2.gz RZIAVDQFHYRKHM-UHFFFAOYSA-N 1 2 210.280 2.617 20 30 BFEDLO C#Cc1cc(Nc2cc(F)cc(F)c2F)cc[nH+]1 ZINC001206383479 968269848 /nfs/dbraw/zinc/26/98/48/968269848.db2.gz TWNGWXSTECZAJW-UHFFFAOYSA-N 1 2 248.207 2.646 20 30 BFEDLO CC(C)N(CC1CC1)c1cc(CC#N)cc[nH+]1 ZINC001166619564 968358381 /nfs/dbraw/zinc/35/83/81/968358381.db2.gz LFTPJLIMWLAHAQ-UHFFFAOYSA-N 1 2 229.327 2.772 20 30 BFEDLO N#CCC1C[NH+](Cc2cccc(C(F)F)c2)C1 ZINC001207126376 968642544 /nfs/dbraw/zinc/64/25/44/968642544.db2.gz PXEICQWDRDYZOY-UHFFFAOYSA-N 1 2 236.265 2.970 20 30 BFEDLO C=C(C)c1cc(C[NH+]2CCOCC2)ccc1C ZINC001240837452 968760915 /nfs/dbraw/zinc/76/09/15/968760915.db2.gz ZGTZQYSKSJRFIH-UHFFFAOYSA-N 1 2 231.339 2.860 20 30 BFEDLO C=C[C@@](C)(O)CNc1c[nH+]c(CC(C)C)cc1C ZINC001252548506 968787161 /nfs/dbraw/zinc/78/71/61/968787161.db2.gz SFUDAYNZSCVIOY-OAHLLOKOSA-N 1 2 248.370 2.937 20 30 BFEDLO N#Cc1cc2c(cccc2-c2cc[nH+]c(N)c2)[nH]1 ZINC001241170353 968943493 /nfs/dbraw/zinc/94/34/93/968943493.db2.gz JEXKALYRRKRNAY-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO Cc1cccc(-c2cc[nH+]c(N)c2)c1C#N ZINC001241163261 968944421 /nfs/dbraw/zinc/94/44/21/968944421.db2.gz SBRKGMCRZGDKBW-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO C=C[C@H](O)CNc1cc(C)c2ccccc2[nH+]1 ZINC001253567813 969241500 /nfs/dbraw/zinc/24/15/00/969241500.db2.gz UJCUJEREUGIFJY-NSHDSACASA-N 1 2 228.295 2.502 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(Cl)c(OC)c1F ZINC001209700774 969574475 /nfs/dbraw/zinc/57/44/75/969574475.db2.gz MBZNQWNVYIXKNO-UHFFFAOYSA-N 1 2 241.693 2.553 20 30 BFEDLO C#CC[N@H+](C)Cc1ccc(Cl)c(OC)c1F ZINC001209700774 969574481 /nfs/dbraw/zinc/57/44/81/969574481.db2.gz MBZNQWNVYIXKNO-UHFFFAOYSA-N 1 2 241.693 2.553 20 30 BFEDLO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCCOC1 ZINC001254374611 969587811 /nfs/dbraw/zinc/58/78/11/969587811.db2.gz JLFFCNGVJPMPLL-HNNXBMFYSA-N 1 2 244.338 2.581 20 30 BFEDLO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CCCOC1 ZINC001254374611 969587817 /nfs/dbraw/zinc/58/78/17/969587817.db2.gz JLFFCNGVJPMPLL-HNNXBMFYSA-N 1 2 244.338 2.581 20 30 BFEDLO C[C@H](C#N)[N@H+](C)C1CCc2ccccc2CC1 ZINC001254462515 969646856 /nfs/dbraw/zinc/64/68/56/969646856.db2.gz BWDHVBWDFXVKMO-GFCCVEGCSA-N 1 2 228.339 2.778 20 30 BFEDLO C[C@H](C#N)[N@@H+](C)C1CCc2ccccc2CC1 ZINC001254462515 969646863 /nfs/dbraw/zinc/64/68/63/969646863.db2.gz BWDHVBWDFXVKMO-GFCCVEGCSA-N 1 2 228.339 2.778 20 30 BFEDLO Cc1ccc(C)c(NC=CC(=O)C(F)(F)F)[nH+]1 ZINC001169477192 969648476 /nfs/dbraw/zinc/64/84/76/969648476.db2.gz YLTHKKZDXKNBKN-AATRIKPKSA-N 1 2 244.216 2.755 20 30 BFEDLO N#C[C@@H]1CC[C@H]([N@@H+]2Cc3cnc(Cl)cc3C2)C1 ZINC001254678952 969783077 /nfs/dbraw/zinc/78/30/77/969783077.db2.gz IXZMYTQAZUMWPU-SKDRFNHKSA-N 1 2 247.729 2.743 20 30 BFEDLO N#C[C@@H]1CC[C@H]([N@H+]2Cc3cnc(Cl)cc3C2)C1 ZINC001254678952 969783081 /nfs/dbraw/zinc/78/30/81/969783081.db2.gz IXZMYTQAZUMWPU-SKDRFNHKSA-N 1 2 247.729 2.743 20 30 BFEDLO C#C[C@](C)(CC)Nc1ccc(OC)c(C)[nH+]1 ZINC001169700021 969822358 /nfs/dbraw/zinc/82/23/58/969822358.db2.gz FVVUVHWRTYSVRN-CYBMUJFWSA-N 1 2 218.300 2.612 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254939516 969830917 /nfs/dbraw/zinc/83/09/17/969830917.db2.gz GZYNDJZOSBYCSF-SLEUVZQESA-N 1 2 248.370 2.662 20 30 BFEDLO C#Cc1cc(Nc2cccc3cc[nH]c32)cc[nH+]1 ZINC001210210871 969831923 /nfs/dbraw/zinc/83/19/23/969831923.db2.gz GZKQGNFROIOQDO-UHFFFAOYSA-N 1 2 233.274 2.710 20 30 BFEDLO Cc1cccc(C#N)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210291306 969860275 /nfs/dbraw/zinc/86/02/75/969860275.db2.gz ZOXOGIRESCACRW-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO Cc1cc(C#N)cc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210293250 969860351 /nfs/dbraw/zinc/86/03/51/969860351.db2.gz ILKVAZLXQSABIV-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO CCc1ccc[nH+]c1Nc1ccc(O)c(C#N)c1 ZINC001210527259 969930050 /nfs/dbraw/zinc/93/00/50/969930050.db2.gz KSVWKQCMDAORDT-UHFFFAOYSA-N 1 2 239.278 2.965 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)ccn1 ZINC001255149757 969954363 /nfs/dbraw/zinc/95/43/63/969954363.db2.gz NZDZJEWBXDQAHD-SNVBAGLBSA-N 1 2 223.707 2.517 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC001255152344 969956162 /nfs/dbraw/zinc/95/61/62/969956162.db2.gz SEHYZDWUMFYHNL-DGCLKSJQSA-N 1 2 248.301 2.931 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1cccc(C)n1 ZINC001255154091 969960482 /nfs/dbraw/zinc/96/04/82/969960482.db2.gz BPWCMBBBBQWJSL-NEPJUHHUSA-N 1 2 217.316 2.733 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCOc2cc(F)ccc21 ZINC001255158209 969968066 /nfs/dbraw/zinc/96/80/66/969968066.db2.gz FVPKKKLSYNZTOB-AAEUAGOBSA-N 1 2 248.301 2.931 20 30 BFEDLO C[C@H]1CC(=O)C=C(Nc2ccn3cc[nH+]c3c2)C1 ZINC001210770437 970021342 /nfs/dbraw/zinc/02/13/42/970021342.db2.gz MFGVMNUBNHVVDL-SNVBAGLBSA-N 1 2 241.294 2.629 20 30 BFEDLO N#Cc1cc(NC=[NH2+])nc2ccc(Cl)cc12 ZINC001157080009 970081839 /nfs/dbraw/zinc/08/18/39/970081839.db2.gz MGKBQUXKUCXVSZ-UHFFFAOYSA-N 1 2 230.658 2.779 20 30 BFEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CCCC)C(=O)OCC ZINC001255316013 970088942 /nfs/dbraw/zinc/08/89/42/970088942.db2.gz RWFJBXFEPOPYBN-SCRDCRAPSA-N 1 2 239.359 2.663 20 30 BFEDLO COC1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001255447995 970181152 /nfs/dbraw/zinc/18/11/52/970181152.db2.gz LPJFEADUZWSZOA-UHFFFAOYSA-N 1 2 236.359 2.760 20 30 BFEDLO CC[C@H](C#N)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255512859 970278046 /nfs/dbraw/zinc/27/80/46/970278046.db2.gz WHKQXBIETFPVIU-HWOCKDDLSA-N 1 2 234.265 2.999 20 30 BFEDLO CC(C)(C#N)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255690948 970458424 /nfs/dbraw/zinc/45/84/24/970458424.db2.gz UXESRUJXPMEFQI-IUCAKERBSA-N 1 2 234.265 2.999 20 30 BFEDLO CC(C)Oc1ccc[nH+]c1NCC(C)(C)S ZINC001170309575 970717350 /nfs/dbraw/zinc/71/73/50/970717350.db2.gz XYFHQAOHFZZEBF-UHFFFAOYSA-N 1 2 240.372 2.989 20 30 BFEDLO C[C@@H](OCc1c[nH+]cn1C)c1ccccc1C#N ZINC001222600606 972597611 /nfs/dbraw/zinc/59/76/11/972597611.db2.gz RXHMXHYCWBQZQI-LLVKDONJSA-N 1 2 241.294 2.570 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc(-n2cccc2)cc1 ZINC001144238562 972693056 /nfs/dbraw/zinc/69/30/56/972693056.db2.gz SLYUTLZHKYOCDG-UHFFFAOYSA-N 1 2 239.322 2.823 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc(-n2cccc2)cc1 ZINC001144238562 972693062 /nfs/dbraw/zinc/69/30/62/972693062.db2.gz SLYUTLZHKYOCDG-UHFFFAOYSA-N 1 2 239.322 2.823 20 30 BFEDLO C[N@H+](CCC#N)Cc1c[nH]c2nc(Cl)ccc12 ZINC001144406169 972801601 /nfs/dbraw/zinc/80/16/01/972801601.db2.gz VDOWRRFVZLXJOS-UHFFFAOYSA-N 1 2 248.717 2.562 20 30 BFEDLO C[N@@H+](CCC#N)Cc1c[nH]c2nc(Cl)ccc12 ZINC001144406169 972801607 /nfs/dbraw/zinc/80/16/07/972801607.db2.gz VDOWRRFVZLXJOS-UHFFFAOYSA-N 1 2 248.717 2.562 20 30 BFEDLO C=C(C)CN(CC)Cc1[nH+]cn2ccccc12 ZINC001144625014 972888485 /nfs/dbraw/zinc/88/84/85/972888485.db2.gz ZBEIBAHAKZSFJW-UHFFFAOYSA-N 1 2 229.327 2.732 20 30 BFEDLO C#C[C@@H](OCc1cc(C)[nH+]c(C)c1)C(C)C ZINC001223424077 973065712 /nfs/dbraw/zinc/06/57/12/973065712.db2.gz GDTBYYMBBCWQQD-CQSZACIVSA-N 1 2 217.312 2.873 20 30 BFEDLO C#CC[N@H+](CC=C(Cl)Cl)CC1CC1 ZINC001330560832 974314954 /nfs/dbraw/zinc/31/49/54/974314954.db2.gz YZMJOCWZMCNJRK-UHFFFAOYSA-N 1 2 218.127 2.651 20 30 BFEDLO C#CC[N@@H+](CC=C(Cl)Cl)CC1CC1 ZINC001330560832 974314943 /nfs/dbraw/zinc/31/49/43/974314943.db2.gz YZMJOCWZMCNJRK-UHFFFAOYSA-N 1 2 218.127 2.651 20 30 BFEDLO N#C[C@@H](Oc1cc[nH+]cc1)c1ccccc1F ZINC001225296431 974374948 /nfs/dbraw/zinc/37/49/48/974374948.db2.gz VHKOOQNXIJDLMS-CYBMUJFWSA-N 1 2 228.226 2.864 20 30 BFEDLO C=C1CC=C(F)C=C1[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235693 974496616 /nfs/dbraw/zinc/49/66/16/974496616.db2.gz DSWQCUQNEOQWBZ-YHWZYXNKSA-N 1 2 233.286 2.759 20 30 BFEDLO CC(C)COCC[C@H](C)[NH2+][C@@](C)(C#N)C(C)C ZINC001172461620 974826671 /nfs/dbraw/zinc/82/66/71/974826671.db2.gz IPZOIIXSVNWYQY-KBPBESRZSA-N 1 2 240.391 2.965 20 30 BFEDLO CC(C)C[C@@H](C#N)[NH2+][C@@H](C)CCCC#N ZINC001172488119 974833386 /nfs/dbraw/zinc/83/33/86/974833386.db2.gz LMIZNYBMAWXMLA-RYUDHWBXSA-N 1 2 207.321 2.597 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001172926606 974971570 /nfs/dbraw/zinc/97/15/70/974971570.db2.gz CCFCGCSGFMHWIF-JHJVBQTASA-N 1 2 224.348 2.616 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+]1C1CCC2(CCOCC2)CC1 ZINC001173042968 975013849 /nfs/dbraw/zinc/01/38/49/975013849.db2.gz BEXRACCOCSBKBT-AWEZNQCLSA-N 1 2 248.370 2.714 20 30 BFEDLO N#C[C@@H]1CCC[N@H+]1C1CCC2(CCOCC2)CC1 ZINC001173042968 975013855 /nfs/dbraw/zinc/01/38/55/975013855.db2.gz BEXRACCOCSBKBT-AWEZNQCLSA-N 1 2 248.370 2.714 20 30 BFEDLO C[N@H+](CC#N)C1CCC(Oc2ccccc2)CC1 ZINC001173203537 975057233 /nfs/dbraw/zinc/05/72/33/975057233.db2.gz XRJBMSOBAOSLCS-UHFFFAOYSA-N 1 2 244.338 2.832 20 30 BFEDLO C[N@@H+](CC#N)C1CCC(Oc2ccccc2)CC1 ZINC001173203537 975057238 /nfs/dbraw/zinc/05/72/38/975057238.db2.gz XRJBMSOBAOSLCS-UHFFFAOYSA-N 1 2 244.338 2.832 20 30 BFEDLO CCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@@H](C#N)C1 ZINC001173260705 975107985 /nfs/dbraw/zinc/10/79/85/975107985.db2.gz TVBCMQCIRNVPDY-KBPBESRZSA-N 1 2 238.375 2.816 20 30 BFEDLO CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@@H](C#N)C1 ZINC001173260705 975107989 /nfs/dbraw/zinc/10/79/89/975107989.db2.gz TVBCMQCIRNVPDY-KBPBESRZSA-N 1 2 238.375 2.816 20 30 BFEDLO C=CCOC1CCC([NH+]2CC(C)(F)C2)CC1 ZINC001173320166 975307465 /nfs/dbraw/zinc/30/74/65/975307465.db2.gz CBBCIXKSQJGRHO-UHFFFAOYSA-N 1 2 227.323 2.544 20 30 BFEDLO C#C[C@H](Oc1c(C)cc[nH+]c1C)c1ccncc1 ZINC001227263367 975337527 /nfs/dbraw/zinc/33/75/27/975337527.db2.gz FVBJTHZWPUXKRS-AWEZNQCLSA-N 1 2 238.290 2.847 20 30 BFEDLO C#C[C@@H]1CCC[C@@H]1Oc1c(C)cc[nH+]c1C ZINC001227265705 975342333 /nfs/dbraw/zinc/34/23/33/975342333.db2.gz WLOLPLRJNMPZDG-OLZOCXBDSA-N 1 2 215.296 2.879 20 30 BFEDLO C#Cc1cc(Nc2ccccc2C)cc[nH+]1 ZINC001173814866 975570179 /nfs/dbraw/zinc/57/01/79/975570179.db2.gz DOCBQIGYWGBHJF-UHFFFAOYSA-N 1 2 208.264 2.537 20 30 BFEDLO CC[C@H]1CCCC[C@H]1C=[NH+]n1nnc(C)c1C ZINC001333641881 975918653 /nfs/dbraw/zinc/91/86/53/975918653.db2.gz DNWDNNYXACQLPK-STQMWFEESA-N 1 2 234.347 2.945 20 30 BFEDLO C#Cc1cc(Nc2ccccc2CC)cc[nH+]1 ZINC001173968542 976025729 /nfs/dbraw/zinc/02/57/29/976025729.db2.gz XLXXEMHDONZMHU-UHFFFAOYSA-N 1 2 222.291 2.791 20 30 BFEDLO C#CC[C@@H](C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228329060 976122356 /nfs/dbraw/zinc/12/23/56/976122356.db2.gz LEEHXNQRYGBHEW-SECBINFHSA-N 1 2 214.268 2.662 20 30 BFEDLO Cc1[nH]c2ccc(OC3CC(C#N)C3)cc2[nH+]1 ZINC001228329952 976129782 /nfs/dbraw/zinc/12/97/82/976129782.db2.gz SVTHZQBHKDOJLH-UHFFFAOYSA-N 1 2 227.267 2.552 20 30 BFEDLO C#C[C@@H](CC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954864 977041974 /nfs/dbraw/zinc/04/19/74/977041974.db2.gz VBHJIQPPQLCGQJ-ZDUSSCGKSA-N 1 2 226.279 2.663 20 30 BFEDLO C#C[C@H](CC)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082322 977469455 /nfs/dbraw/zinc/46/94/55/977469455.db2.gz UTSKOQSATKUVLZ-GFCCVEGCSA-N 1 2 226.279 2.867 20 30 BFEDLO Cc1ccc(C[N@H+](C)CCC#N)cc1Cl ZINC001231417396 977587334 /nfs/dbraw/zinc/58/73/34/977587334.db2.gz GIOAYIAMZVLBJC-UHFFFAOYSA-N 1 2 222.719 2.994 20 30 BFEDLO Cc1ccc(C[N@@H+](C)CCC#N)cc1Cl ZINC001231417396 977587344 /nfs/dbraw/zinc/58/73/44/977587344.db2.gz GIOAYIAMZVLBJC-UHFFFAOYSA-N 1 2 222.719 2.994 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cnc(F)cc1C ZINC001231982681 977820881 /nfs/dbraw/zinc/82/08/81/977820881.db2.gz CHDDTJLXPGIVLC-UHFFFAOYSA-N 1 2 235.306 2.655 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cnc(F)cc1C ZINC001231982681 977820886 /nfs/dbraw/zinc/82/08/86/977820886.db2.gz CHDDTJLXPGIVLC-UHFFFAOYSA-N 1 2 235.306 2.655 20 30 BFEDLO COc1cc[nH+]cc1Nc1ccsc1C#N ZINC001176118617 977950591 /nfs/dbraw/zinc/95/05/91/977950591.db2.gz 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/nfs/dbraw/zinc/94/04/09/984940409.db2.gz WXBZNZYZPAACBS-UHFFFAOYSA-N 1 2 241.338 2.832 20 30 BFEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932156439 985013317 /nfs/dbraw/zinc/01/33/17/985013317.db2.gz DVBUBKQHBNFNPE-OCCSQVGLSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000932156439 985013326 /nfs/dbraw/zinc/01/33/26/985013326.db2.gz DVBUBKQHBNFNPE-OCCSQVGLSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932156437 985013641 /nfs/dbraw/zinc/01/36/41/985013641.db2.gz DVBUBKQHBNFNPE-GXTWGEPZSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000932156437 985013655 /nfs/dbraw/zinc/01/36/55/985013655.db2.gz DVBUBKQHBNFNPE-GXTWGEPZSA-N 1 2 239.322 2.855 20 30 BFEDLO N#Cc1c2cccnc2ccc1-c1ccc[nH+]c1N ZINC001243476395 985030318 /nfs/dbraw/zinc/03/03/18/985030318.db2.gz ADUJLOPFXPTMFI-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO N#Cc1cnc2cc(-c3ccc[nH+]c3N)ccc2c1 ZINC001243477558 985035006 /nfs/dbraw/zinc/03/50/06/985035006.db2.gz SZSAPXFIQUYWKG-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO CNc1cc(-c2ccc(OCC#N)cc2)cc[nH+]1 ZINC001243593727 985144989 /nfs/dbraw/zinc/14/49/89/985144989.db2.gz VVBIJHUVKFOOJW-UHFFFAOYSA-N 1 2 239.278 2.693 20 30 BFEDLO CNc1cc(-c2ccc(OC)cc2C#N)cc[nH+]1 ZINC001243730138 985252227 /nfs/dbraw/zinc/25/22/27/985252227.db2.gz BHRKAGILCOCJEH-UHFFFAOYSA-N 1 2 239.278 2.671 20 30 BFEDLO COc1c(C)cc(C[N@@H+]2CC[C@H](C#N)C2)cc1C ZINC001138428686 985353769 /nfs/dbraw/zinc/35/37/69/985353769.db2.gz PEVHGJWOUJKSEO-CYBMUJFWSA-N 1 2 244.338 2.658 20 30 BFEDLO COc1c(C)cc(C[N@H+]2CC[C@H](C#N)C2)cc1C ZINC001138428686 985353786 /nfs/dbraw/zinc/35/37/86/985353786.db2.gz PEVHGJWOUJKSEO-CYBMUJFWSA-N 1 2 244.338 2.658 20 30 BFEDLO Cc1ccc(C2=CC[C@H](C#N)CC2)[nH+]c1N ZINC001243794164 985355767 /nfs/dbraw/zinc/35/57/67/985355767.db2.gz CUNPNPFKLKHFJX-JTQLQIEISA-N 1 2 213.284 2.679 20 30 BFEDLO CN(C)c1cc(C2=CC[C@H](C#N)CC2)cc[nH+]1 ZINC001243800083 985370970 /nfs/dbraw/zinc/37/09/70/985370970.db2.gz WRRLAPGXTJDARI-NSHDSACASA-N 1 2 227.311 2.855 20 30 BFEDLO Cc1nc(C2=C[NH2+]CCC2)c(C#N)c(C)c1C ZINC001243949539 985635979 /nfs/dbraw/zinc/63/59/79/985635979.db2.gz LXLSJDLDEFVRIO-UHFFFAOYSA-N 1 2 227.311 2.603 20 30 BFEDLO Cc1cc(-c2ccc(N)c(C#N)c2)cc(C)[nH+]1 ZINC001244112244 985820900 /nfs/dbraw/zinc/82/09/00/985820900.db2.gz LGSZAMGOQRRJSE-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO C[C@H]1CCC[C@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001258807355 986265136 /nfs/dbraw/zinc/26/51/36/986265136.db2.gz HDSZYVRILUDCFL-RYUDHWBXSA-N 1 2 206.333 2.991 20 30 BFEDLO COc1ccc(-c2c[nH+]c(N)c(C)c2)cc1C#N ZINC001244709608 986315958 /nfs/dbraw/zinc/31/59/58/986315958.db2.gz YHNJTPQWQYCNMV-UHFFFAOYSA-N 1 2 239.278 2.520 20 30 BFEDLO COc1ccc(-c2cccc3[nH+]ccn32)cc1C#N ZINC001244708790 986317781 /nfs/dbraw/zinc/31/77/81/986317781.db2.gz FUIODAWSFHMYJW-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO CCc1cc(-c2ccc[nH+]c2N)ccc1C#N ZINC001244953492 986507755 /nfs/dbraw/zinc/50/77/55/986507755.db2.gz WZIMGLSHJBGDCR-UHFFFAOYSA-N 1 2 223.279 2.765 20 30 BFEDLO CNc1cc(-c2cnc3[nH]cc(C#N)c3c2)cc[nH+]1 ZINC001244976671 986561632 /nfs/dbraw/zinc/56/16/32/986561632.db2.gz RNGFOCILAXSTFB-UHFFFAOYSA-N 1 2 249.277 2.538 20 30 BFEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCCCC(F)(F)C2)C1 ZINC001254660888 986713699 /nfs/dbraw/zinc/71/36/99/986713699.db2.gz MZHMOKBVZBBOHW-MNOVXSKESA-N 1 2 228.286 2.800 20 30 BFEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCCCC(F)(F)C2)C1 ZINC001254660888 986713705 /nfs/dbraw/zinc/71/37/05/986713705.db2.gz MZHMOKBVZBBOHW-MNOVXSKESA-N 1 2 228.286 2.800 20 30 BFEDLO Cc1cc(-c2cccc(CC#N)c2)c[nH+]c1N ZINC001245535928 986916445 /nfs/dbraw/zinc/91/64/45/986916445.db2.gz DYLFMWINSSNCBI-UHFFFAOYSA-N 1 2 223.279 2.705 20 30 BFEDLO Cc1ccc(C#N)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245604022 986988965 /nfs/dbraw/zinc/98/89/65/986988965.db2.gz LCZVSVHZACDONV-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO CCCC[N@H+](CC#N)[C@@H]1CCOC(C)(C)C1 ZINC001255545639 987001135 /nfs/dbraw/zinc/00/11/35/987001135.db2.gz IIEZTWYYUVMXQC-GFCCVEGCSA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@@H]1CCOC(C)(C)C1 ZINC001255545639 987001148 /nfs/dbraw/zinc/00/11/48/987001148.db2.gz IIEZTWYYUVMXQC-GFCCVEGCSA-N 1 2 224.348 2.570 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CCC1CCOCC1 ZINC001116067050 987435447 /nfs/dbraw/zinc/43/54/47/987435447.db2.gz FPQAXTNZKXHDQC-RVDMUPIBSA-N 1 2 233.311 2.628 20 30 BFEDLO C#CC[N@@H+](Cc1csc(CCC)n1)CC1CC1 ZINC001116365931 987536175 /nfs/dbraw/zinc/53/61/75/987536175.db2.gz FNPYCBXCYGMBKO-UHFFFAOYSA-N 1 2 248.395 2.941 20 30 BFEDLO C#CC[N@H+](Cc1csc(CCC)n1)CC1CC1 ZINC001116365931 987536183 /nfs/dbraw/zinc/53/61/83/987536183.db2.gz FNPYCBXCYGMBKO-UHFFFAOYSA-N 1 2 248.395 2.941 20 30 BFEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)cc(C)n1 ZINC001474340071 987692138 /nfs/dbraw/zinc/69/21/38/987692138.db2.gz VAPQUPVUWXYZGT-UHFFFAOYSA-N 1 2 243.354 2.824 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)cc(C)n1 ZINC001474340071 987692141 /nfs/dbraw/zinc/69/21/41/987692141.db2.gz VAPQUPVUWXYZGT-UHFFFAOYSA-N 1 2 243.354 2.824 20 30 BFEDLO CC[N@@H+](Cc1cccn1C1CC1)C[C@@H](C)C#N ZINC001117744118 987885234 /nfs/dbraw/zinc/88/52/34/987885234.db2.gz VTOPIXUCYUXSIK-LBPRGKRZSA-N 1 2 231.343 2.805 20 30 BFEDLO CC[N@H+](Cc1cccn1C1CC1)C[C@@H](C)C#N ZINC001117744118 987885240 /nfs/dbraw/zinc/88/52/40/987885240.db2.gz VTOPIXUCYUXSIK-LBPRGKRZSA-N 1 2 231.343 2.805 20 30 BFEDLO CC(C)Oc1ccc[nH+]c1N[C@H]1CC[C@@H](C#N)C1 ZINC001321675031 987970233 /nfs/dbraw/zinc/97/02/33/987970233.db2.gz WYDGPPFORHEEMW-NEPJUHHUSA-N 1 2 245.326 2.973 20 30 BFEDLO CC(C)Oc1ccc[nH+]c1N[C@@H]1CC[C@H](C#N)C1 ZINC001321675132 987971410 /nfs/dbraw/zinc/97/14/10/987971410.db2.gz WYDGPPFORHEEMW-NWDGAFQWSA-N 1 2 245.326 2.973 20 30 BFEDLO CCCCC[C@@H](CCC)N1CC[NH2+]C[C@@H]1C#N ZINC001246593655 988174226 /nfs/dbraw/zinc/17/42/26/988174226.db2.gz OGOMMKLJPXIPBO-KGLIPLIRSA-N 1 2 237.391 2.533 20 30 BFEDLO Cc1nnn([NH+]=C[C@@H]2CCC[C@H](C)C2)c1C ZINC001119298857 988887963 /nfs/dbraw/zinc/88/79/63/988887963.db2.gz MIBZEKRIQWKQGZ-JOYOIKCWSA-N 1 2 220.320 2.555 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc2onc(C)c2c1 ZINC001248702016 989128679 /nfs/dbraw/zinc/12/86/79/989128679.db2.gz ANJQRXCHVGAPMH-UHFFFAOYSA-N 1 2 243.310 2.872 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc2onc(C)c2c1 ZINC001248702016 989128684 /nfs/dbraw/zinc/12/86/84/989128684.db2.gz ANJQRXCHVGAPMH-UHFFFAOYSA-N 1 2 243.310 2.872 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ns1 ZINC001249581701 989310755 /nfs/dbraw/zinc/31/07/55/989310755.db2.gz NEAOQBRKPKJSIN-NSHDSACASA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ns1 ZINC001249581701 989310765 /nfs/dbraw/zinc/31/07/65/989310765.db2.gz NEAOQBRKPKJSIN-NSHDSACASA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ns1 ZINC001249588955 989318949 /nfs/dbraw/zinc/31/89/49/989318949.db2.gz QJTPAMGSYZBGCL-UOJUARBOSA-N 1 2 247.367 2.718 20 30 BFEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ns1 ZINC001249588955 989318963 /nfs/dbraw/zinc/31/89/63/989318963.db2.gz QJTPAMGSYZBGCL-UOJUARBOSA-N 1 2 247.367 2.718 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(C)sc1C ZINC001119888185 989452606 /nfs/dbraw/zinc/45/26/06/989452606.db2.gz AKWKTPNVHFYXLJ-LBPRGKRZSA-N 1 2 234.368 2.748 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(C)sc1C ZINC001119888185 989452614 /nfs/dbraw/zinc/45/26/14/989452614.db2.gz AKWKTPNVHFYXLJ-LBPRGKRZSA-N 1 2 234.368 2.748 20 30 BFEDLO C=CC[N@@H+](C)Cc1cc(F)cc(F)c1F ZINC001137873550 990865455 /nfs/dbraw/zinc/86/54/55/990865455.db2.gz JOFBHIBRBMCJKK-UHFFFAOYSA-N 1 2 215.218 2.722 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(F)cc(F)c1F ZINC001137873550 990865460 /nfs/dbraw/zinc/86/54/60/990865460.db2.gz JOFBHIBRBMCJKK-UHFFFAOYSA-N 1 2 215.218 2.722 20 30 BFEDLO CC(C)C[C@H](C)C[C@H](C)[NH+]1CC(C#N)C1 ZINC001258063413 990955426 /nfs/dbraw/zinc/95/54/26/990955426.db2.gz MUMSGFSQRVWGGV-RYUDHWBXSA-N 1 2 208.349 2.903 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC001139528085 991261868 /nfs/dbraw/zinc/26/18/68/991261868.db2.gz XTIGYPLYECVXIZ-UHFFFAOYSA-N 1 2 245.301 2.823 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC001139528085 991261875 /nfs/dbraw/zinc/26/18/75/991261875.db2.gz XTIGYPLYECVXIZ-UHFFFAOYSA-N 1 2 245.301 2.823 20 30 BFEDLO CCOc1ccc(C)cc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001139603474 991283651 /nfs/dbraw/zinc/28/36/51/991283651.db2.gz DJSHCCQETAGKMR-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO CCOc1ccc(C)cc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001139603474 991283634 /nfs/dbraw/zinc/28/36/34/991283634.db2.gz DJSHCCQETAGKMR-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO CCOc1ccc(C[N@H+](C)CCC#N)cc1CC ZINC001139619190 991296456 /nfs/dbraw/zinc/29/64/56/991296456.db2.gz YTFSQMXVTWGPJH-UHFFFAOYSA-N 1 2 246.354 2.993 20 30 BFEDLO CCOc1ccc(C[N@@H+](C)CCC#N)cc1CC ZINC001139619190 991296469 /nfs/dbraw/zinc/29/64/69/991296469.db2.gz YTFSQMXVTWGPJH-UHFFFAOYSA-N 1 2 246.354 2.993 20 30 BFEDLO Cc1ccc(C[NH2+]Cc2cccc(F)c2C#N)o1 ZINC001560952146 991666569 /nfs/dbraw/zinc/66/65/69/991666569.db2.gz BLGXTCGPBUMZKP-UHFFFAOYSA-N 1 2 244.269 2.889 20 30 BFEDLO CC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1C#N ZINC001258844745 991879799 /nfs/dbraw/zinc/87/97/99/991879799.db2.gz RGNVCGPJIINSTM-CABCVRRESA-N 1 2 228.339 2.996 20 30 BFEDLO CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H]1C#N ZINC001258844745 991879810 /nfs/dbraw/zinc/87/98/10/991879810.db2.gz RGNVCGPJIINSTM-CABCVRRESA-N 1 2 228.339 2.996 20 30 BFEDLO Cc1c[nH+]c2ccccc2c1NC[C@@H](C)C#N ZINC001320240336 992141991 /nfs/dbraw/zinc/14/19/91/992141991.db2.gz YXGNIUJAEZEVGH-JTQLQIEISA-N 1 2 225.295 2.537 20 30 BFEDLO N#CCCC[N@@H+]1CCc2cc(F)cc(F)c2C1 ZINC001308172150 995588999 /nfs/dbraw/zinc/58/89/99/995588999.db2.gz BHKPYAIPPYGVSQ-UHFFFAOYSA-N 1 2 236.265 2.627 20 30 BFEDLO N#CCCC[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001308172150 995589003 /nfs/dbraw/zinc/58/90/03/995589003.db2.gz BHKPYAIPPYGVSQ-UHFFFAOYSA-N 1 2 236.265 2.627 20 30 BFEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(C(C)C)no1 ZINC000298017250 136208706 /nfs/dbraw/zinc/20/87/06/136208706.db2.gz ZSAKNPDXDGRLOR-LLVKDONJSA-N 1 2 235.331 2.928 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000058864375 136210436 /nfs/dbraw/zinc/21/04/36/136210436.db2.gz VLWJIWVPPGGPNP-MNOVXSKESA-N 1 2 220.291 2.978 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000058864375 136210437 /nfs/dbraw/zinc/21/04/37/136210437.db2.gz VLWJIWVPPGGPNP-MNOVXSKESA-N 1 2 220.291 2.978 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cccc(F)c1 ZINC000048298884 136209651 /nfs/dbraw/zinc/20/96/51/136209651.db2.gz CCCSJSFZXONUKO-UHFFFAOYSA-N 1 2 206.264 2.561 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cccc(F)c1 ZINC000048298884 136209652 /nfs/dbraw/zinc/20/96/52/136209652.db2.gz CCCSJSFZXONUKO-UHFFFAOYSA-N 1 2 206.264 2.561 20 30 BFEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1ccccc1 ZINC000276750826 398153244 /nfs/dbraw/zinc/15/32/44/398153244.db2.gz FPOABDBYNUKKNC-HOCLYGCPSA-N 1 2 243.350 2.537 20 30 BFEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC#Cc1ccccc1 ZINC000276750826 398153248 /nfs/dbraw/zinc/15/32/48/398153248.db2.gz FPOABDBYNUKKNC-HOCLYGCPSA-N 1 2 243.350 2.537 20 30 BFEDLO Cc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)no1 ZINC000044692260 178032149 /nfs/dbraw/zinc/03/21/49/178032149.db2.gz FEVIYJBZGAMIBK-NSHDSACASA-N 1 2 241.294 2.706 20 30 BFEDLO CC[N@@H+](CCC#N)CCOc1ccccc1C ZINC000362169736 136215837 /nfs/dbraw/zinc/21/58/37/136215837.db2.gz KKIOVDPFCKYEQJ-UHFFFAOYSA-N 1 2 232.327 2.609 20 30 BFEDLO CC[N@H+](CCC#N)CCOc1ccccc1C ZINC000362169736 136215838 /nfs/dbraw/zinc/21/58/38/136215838.db2.gz KKIOVDPFCKYEQJ-UHFFFAOYSA-N 1 2 232.327 2.609 20 30 BFEDLO N#CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000334872502 398236940 /nfs/dbraw/zinc/23/69/40/398236940.db2.gz MRQBHFJXBUTBPT-UONOGXRCSA-N 1 2 214.312 2.826 20 30 BFEDLO C=C(C)CCc1noc(C[N@@H+](CC)C2CC2)n1 ZINC000285174180 398247088 /nfs/dbraw/zinc/24/70/88/398247088.db2.gz QLEMTNAIBKHVEL-UHFFFAOYSA-N 1 2 235.331 2.563 20 30 BFEDLO C=C(C)CCc1noc(C[N@H+](CC)C2CC2)n1 ZINC000285174180 398247093 /nfs/dbraw/zinc/24/70/93/398247093.db2.gz QLEMTNAIBKHVEL-UHFFFAOYSA-N 1 2 235.331 2.563 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)OCc1c[nH+]ccc1OC ZINC000286677164 398250307 /nfs/dbraw/zinc/25/03/07/398250307.db2.gz BHKFXCGDVQIVHX-AWEZNQCLSA-N 1 2 249.310 2.736 20 30 BFEDLO Cc1scc(C[N@@H+](C)C[C@@H](C)C#N)c1C ZINC000602448069 349548716 /nfs/dbraw/zinc/54/87/16/349548716.db2.gz ROPSRMSTOTUERF-VIFPVBQESA-N 1 2 222.357 2.956 20 30 BFEDLO Cc1scc(C[N@H+](C)C[C@@H](C)C#N)c1C ZINC000602448069 349548717 /nfs/dbraw/zinc/54/87/17/349548717.db2.gz ROPSRMSTOTUERF-VIFPVBQESA-N 1 2 222.357 2.956 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1cccc(F)c1N ZINC000602449483 349549375 /nfs/dbraw/zinc/54/93/75/349549375.db2.gz RJBJOMUKDDLUKR-UHFFFAOYSA-N 1 2 235.306 2.532 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1cccc(F)c1N ZINC000602449483 349549379 /nfs/dbraw/zinc/54/93/79/349549379.db2.gz RJBJOMUKDDLUKR-UHFFFAOYSA-N 1 2 235.306 2.532 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)c(F)c1 ZINC000602460786 349555669 /nfs/dbraw/zinc/55/56/69/349555669.db2.gz CHGIAIURRRILBS-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)c(F)c1 ZINC000602460786 349555672 /nfs/dbraw/zinc/55/56/72/349555672.db2.gz CHGIAIURRRILBS-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO CC[C@](C)(C[N@H+](CC#N)C1CCCC1)OC ZINC000602475412 349563285 /nfs/dbraw/zinc/56/32/85/349563285.db2.gz AGKRJMJTJGFECB-CYBMUJFWSA-N 1 2 224.348 2.570 20 30 BFEDLO CC[C@](C)(C[N@@H+](CC#N)C1CCCC1)OC ZINC000602475412 349563290 /nfs/dbraw/zinc/56/32/90/349563290.db2.gz AGKRJMJTJGFECB-CYBMUJFWSA-N 1 2 224.348 2.570 20 30 BFEDLO N#C[C@]1(F)CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000615651518 398271932 /nfs/dbraw/zinc/27/19/32/398271932.db2.gz SYEMZOJCMQTRAM-RBSFLKMASA-N 1 2 244.313 2.728 20 30 BFEDLO N#C[C@]1(F)CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000615651518 398271935 /nfs/dbraw/zinc/27/19/35/398271935.db2.gz SYEMZOJCMQTRAM-RBSFLKMASA-N 1 2 244.313 2.728 20 30 BFEDLO N#Cc1c(F)cccc1SCCn1cc[nH+]c1 ZINC000583909976 342679890 /nfs/dbraw/zinc/67/98/90/342679890.db2.gz BMMTXSCHIAKSFN-UHFFFAOYSA-N 1 2 247.298 2.686 20 30 BFEDLO CC[N@@H+](Cc1cnc(C2CC2)o1)C[C@@H](C)C#N ZINC000600113922 342672002 /nfs/dbraw/zinc/67/20/02/342672002.db2.gz ZMATZYSIPAYPEX-JTQLQIEISA-N 1 2 233.315 2.534 20 30 BFEDLO CC[N@H+](Cc1cnc(C2CC2)o1)C[C@@H](C)C#N ZINC000600113922 342672003 /nfs/dbraw/zinc/67/20/03/342672003.db2.gz ZMATZYSIPAYPEX-JTQLQIEISA-N 1 2 233.315 2.534 20 30 BFEDLO Cc1ncc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000600175086 342695934 /nfs/dbraw/zinc/69/59/34/342695934.db2.gz OTMDXFGESSVNSC-UHFFFAOYSA-N 1 2 233.315 2.547 20 30 BFEDLO Cc1cccc(CC[N@H+](CC#N)C2CCCC2)n1 ZINC000399699617 342741178 /nfs/dbraw/zinc/74/11/78/342741178.db2.gz HWAKFEAHBIUIHD-UHFFFAOYSA-N 1 2 243.354 2.701 20 30 BFEDLO Cc1cccc(CC[N@@H+](CC#N)C2CCCC2)n1 ZINC000399699617 342741180 /nfs/dbraw/zinc/74/11/80/342741180.db2.gz HWAKFEAHBIUIHD-UHFFFAOYSA-N 1 2 243.354 2.701 20 30 BFEDLO C=CCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000381527290 539003073 /nfs/dbraw/zinc/00/30/73/539003073.db2.gz XJYNHYHIAAFYKA-UHFFFAOYSA-N 1 2 219.332 2.574 20 30 BFEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)s1 ZINC000309597065 398304278 /nfs/dbraw/zinc/30/42/78/398304278.db2.gz UXRUAEISGDZQPH-SNVBAGLBSA-N 1 2 242.294 2.897 20 30 BFEDLO Cc1cc(N2CCC3(CCC3)C2)c(C#N)c[nH+]1 ZINC000335514688 398341521 /nfs/dbraw/zinc/34/15/21/398341521.db2.gz WYLFRDGYOSVYAS-UHFFFAOYSA-N 1 2 227.311 2.642 20 30 BFEDLO N#CC1CCC([NH2+][C@H](C2CC2)C(F)(F)F)CC1 ZINC000602665751 349683735 /nfs/dbraw/zinc/68/37/35/349683735.db2.gz UNWNJCWPVVEUEW-BOBPJJCASA-N 1 2 246.276 2.999 20 30 BFEDLO Cc1cc(C)c(C[N@@H+](C)CC(C)(C)C#N)c(C)n1 ZINC000602833476 349768673 /nfs/dbraw/zinc/76/86/73/349768673.db2.gz VICDNJZNQMPRCQ-UHFFFAOYSA-N 1 2 245.370 2.988 20 30 BFEDLO Cc1cc(C)c(C[N@H+](C)CC(C)(C)C#N)c(C)n1 ZINC000602833476 349768676 /nfs/dbraw/zinc/76/86/76/349768676.db2.gz VICDNJZNQMPRCQ-UHFFFAOYSA-N 1 2 245.370 2.988 20 30 BFEDLO C=C1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000264502826 187234589 /nfs/dbraw/zinc/23/45/89/187234589.db2.gz VWGCNJYQBOUYEQ-LLVKDONJSA-N 1 2 235.331 2.906 20 30 BFEDLO C=C[C@](C)(CC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000276109687 187239266 /nfs/dbraw/zinc/23/92/66/187239266.db2.gz HOBMPCIRLDVXRT-CQSZACIVSA-N 1 2 243.310 2.875 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1ccccc1OC(F)F ZINC000050499273 343158837 /nfs/dbraw/zinc/15/88/37/343158837.db2.gz CTULWNJOWUIAQE-SECBINFHSA-N 1 2 240.253 2.537 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1nsc2ccccc21 ZINC000602868890 349799613 /nfs/dbraw/zinc/79/96/13/349799613.db2.gz DXKUHMQZRSWCFM-SECBINFHSA-N 1 2 231.324 2.688 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119418391 136277026 /nfs/dbraw/zinc/27/70/26/136277026.db2.gz GZTNFHFLXURLBB-HNNXBMFYSA-N 1 2 247.338 2.645 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119418391 136277027 /nfs/dbraw/zinc/27/70/27/136277027.db2.gz GZTNFHFLXURLBB-HNNXBMFYSA-N 1 2 247.338 2.645 20 30 BFEDLO C=CCOc1cccc(C[NH2+]CC(F)F)c1 ZINC000298150358 343238494 /nfs/dbraw/zinc/23/84/94/343238494.db2.gz ROTFIGXGYDKCBG-UHFFFAOYSA-N 1 2 227.254 2.606 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000609030817 343261041 /nfs/dbraw/zinc/26/10/41/343261041.db2.gz NCEMUFVDCKEAHC-LLVKDONJSA-N 1 2 241.294 2.733 20 30 BFEDLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CC#N ZINC000296677039 136290964 /nfs/dbraw/zinc/29/09/64/136290964.db2.gz LCJVPGFEJYDSIW-YRGRVCCFSA-N 1 2 214.312 2.776 20 30 BFEDLO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC#N ZINC000296677039 136290965 /nfs/dbraw/zinc/29/09/65/136290965.db2.gz LCJVPGFEJYDSIW-YRGRVCCFSA-N 1 2 214.312 2.776 20 30 BFEDLO N#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282428918 136286265 /nfs/dbraw/zinc/28/62/65/136286265.db2.gz JYQIYIVEMMEITA-QDMKHBRRSA-N 1 2 226.323 2.921 20 30 BFEDLO N#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282428918 136286266 /nfs/dbraw/zinc/28/62/66/136286266.db2.gz JYQIYIVEMMEITA-QDMKHBRRSA-N 1 2 226.323 2.921 20 30 BFEDLO C=CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052247947 343373453 /nfs/dbraw/zinc/37/34/53/343373453.db2.gz FXXGFZMRXVUWTN-ZDUSSCGKSA-N 1 2 237.730 2.899 20 30 BFEDLO C=CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052247947 343373454 /nfs/dbraw/zinc/37/34/54/343373454.db2.gz FXXGFZMRXVUWTN-ZDUSSCGKSA-N 1 2 237.730 2.899 20 30 BFEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccon1 ZINC000349194225 136331131 /nfs/dbraw/zinc/33/11/31/136331131.db2.gz CPARZNXUADITSO-VIFPVBQESA-N 1 2 245.257 2.536 20 30 BFEDLO CC1(C#N)C[NH+](CCCC2CCCC2)C1 ZINC000570055538 323048571 /nfs/dbraw/zinc/04/85/71/323048571.db2.gz ZABUGXNNNJTZJO-UHFFFAOYSA-N 1 2 206.333 2.802 20 30 BFEDLO C=CC[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000390291240 537791841 /nfs/dbraw/zinc/79/18/41/537791841.db2.gz YVUXUUICVJWSLY-SNVBAGLBSA-N 1 2 219.332 2.573 20 30 BFEDLO Cc1nsc(C)c1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981424 349830917 /nfs/dbraw/zinc/83/09/17/349830917.db2.gz CWAIDBKFWALUHM-WCQYABFASA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nsc(C)c1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981424 349830920 /nfs/dbraw/zinc/83/09/20/349830920.db2.gz CWAIDBKFWALUHM-WCQYABFASA-N 1 2 249.383 2.884 20 30 BFEDLO CCc1noc(C)c1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977980 349842466 /nfs/dbraw/zinc/84/24/66/349842466.db2.gz JPSMTBBNPMEGOJ-RISCZKNCSA-N 1 2 247.342 2.670 20 30 BFEDLO CCc1noc(C)c1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977980 349842468 /nfs/dbraw/zinc/84/24/68/349842468.db2.gz JPSMTBBNPMEGOJ-RISCZKNCSA-N 1 2 247.342 2.670 20 30 BFEDLO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979271 349843944 /nfs/dbraw/zinc/84/39/44/349843944.db2.gz BOJROFHCFXJPGF-HZPDHXFCSA-N 1 2 238.334 2.662 20 30 BFEDLO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979271 349843946 /nfs/dbraw/zinc/84/39/46/349843946.db2.gz BOJROFHCFXJPGF-HZPDHXFCSA-N 1 2 238.334 2.662 20 30 BFEDLO C[N@H+](Cc1cncc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602982706 349835181 /nfs/dbraw/zinc/83/51/81/349835181.db2.gz XAJKPJZAKFCMPW-DGCLKSJQSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1cncc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602982706 349835184 /nfs/dbraw/zinc/83/51/84/349835184.db2.gz XAJKPJZAKFCMPW-DGCLKSJQSA-N 1 2 249.745 2.859 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000602982718 349835438 /nfs/dbraw/zinc/83/54/38/349835438.db2.gz XIGJAKAUEMSMJI-ZIAGYGMSSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000602982718 349835442 /nfs/dbraw/zinc/83/54/42/349835442.db2.gz XIGJAKAUEMSMJI-ZIAGYGMSSA-N 1 2 229.327 2.514 20 30 BFEDLO CCCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000178383953 346953839 /nfs/dbraw/zinc/95/38/39/346953839.db2.gz PNYSIWKCXQYVJQ-UHFFFAOYSA-N 1 2 231.343 2.987 20 30 BFEDLO CCCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000178383953 346953841 /nfs/dbraw/zinc/95/38/41/346953841.db2.gz PNYSIWKCXQYVJQ-UHFFFAOYSA-N 1 2 231.343 2.987 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)nc1 ZINC000602980487 349846424 /nfs/dbraw/zinc/84/64/24/349846424.db2.gz QRETYQBRGINWJW-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)nc1 ZINC000602980487 349846426 /nfs/dbraw/zinc/84/64/26/349846426.db2.gz QRETYQBRGINWJW-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)cn1)[C@@H]1CCC[C@@H]1C#N ZINC000602980625 349846645 /nfs/dbraw/zinc/84/66/45/349846645.db2.gz SJJMWHGESXHZNW-ZWNOBZJWSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)cn1)[C@@H]1CCC[C@@H]1C#N ZINC000602980625 349846647 /nfs/dbraw/zinc/84/66/47/349846647.db2.gz SJJMWHGESXHZNW-ZWNOBZJWSA-N 1 2 249.745 2.859 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2ccccc2o1 ZINC000584121828 343762438 /nfs/dbraw/zinc/76/24/38/343762438.db2.gz ZEACWNYXKVYROT-JTQLQIEISA-N 1 2 229.283 2.610 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1cscc1Cl ZINC000393707411 343912354 /nfs/dbraw/zinc/91/23/54/343912354.db2.gz LRTLDZWYHIOXMW-SSDOTTSWSA-N 1 2 214.721 2.651 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+](Cc2nnsc2Cl)C1 ZINC000625702742 344047648 /nfs/dbraw/zinc/04/76/48/344047648.db2.gz ISCWCVADYIKHIH-MRVPVSSYSA-N 1 2 243.763 2.590 20 30 BFEDLO C=CC[C@@H]1CC[N@H+](Cc2nnsc2Cl)C1 ZINC000625702742 344047649 /nfs/dbraw/zinc/04/76/49/344047649.db2.gz ISCWCVADYIKHIH-MRVPVSSYSA-N 1 2 243.763 2.590 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC000127693570 344201370 /nfs/dbraw/zinc/20/13/70/344201370.db2.gz ROBXCBAJVSNROV-UHFFFAOYSA-N 1 2 226.682 2.825 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc(Cl)c(F)c1 ZINC000127693570 344201372 /nfs/dbraw/zinc/20/13/72/344201372.db2.gz ROBXCBAJVSNROV-UHFFFAOYSA-N 1 2 226.682 2.825 20 30 BFEDLO CCc1ncc(C[N@H+](CCC#N)CC2CC2)s1 ZINC000093091243 344308227 /nfs/dbraw/zinc/30/82/27/344308227.db2.gz NSEZXUMNVZXUKC-UHFFFAOYSA-N 1 2 249.383 2.831 20 30 BFEDLO CCc1ncc(C[N@@H+](CCC#N)CC2CC2)s1 ZINC000093091243 344308231 /nfs/dbraw/zinc/30/82/31/344308231.db2.gz NSEZXUMNVZXUKC-UHFFFAOYSA-N 1 2 249.383 2.831 20 30 BFEDLO NC(=[NH+]OC1CCCC1)c1ccc(F)c(F)c1 ZINC000181882190 347076782 /nfs/dbraw/zinc/07/67/82/347076782.db2.gz NSUAMOIFAPXUFD-UHFFFAOYSA-N 1 2 240.253 2.544 20 30 BFEDLO CC#CCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000157222938 345249257 /nfs/dbraw/zinc/24/92/57/345249257.db2.gz SWJYVHVIPRAODA-UHFFFAOYSA-N 1 2 238.334 2.939 20 30 BFEDLO CC#CCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000157222938 345249259 /nfs/dbraw/zinc/24/92/59/345249259.db2.gz SWJYVHVIPRAODA-UHFFFAOYSA-N 1 2 238.334 2.939 20 30 BFEDLO CC[N@@H+](Cc1sccc1OC)C[C@H](C)C#N ZINC000091982783 345613877 /nfs/dbraw/zinc/61/38/77/345613877.db2.gz QIHVNAFOKXDDJD-SNVBAGLBSA-N 1 2 238.356 2.738 20 30 BFEDLO CC[N@H+](Cc1sccc1OC)C[C@H](C)C#N ZINC000091982783 345613878 /nfs/dbraw/zinc/61/38/78/345613878.db2.gz QIHVNAFOKXDDJD-SNVBAGLBSA-N 1 2 238.356 2.738 20 30 BFEDLO C=CCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918030 345648178 /nfs/dbraw/zinc/64/81/78/345648178.db2.gz SISZQEAMZDAJEF-UHFFFAOYSA-N 1 2 227.189 2.636 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Cl)o1 ZINC000093090380 345656908 /nfs/dbraw/zinc/65/69/08/345656908.db2.gz PHCHLZADHAWPNF-MRVPVSSYSA-N 1 2 212.680 2.667 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Cl)o1 ZINC000093090380 345656909 /nfs/dbraw/zinc/65/69/09/345656909.db2.gz PHCHLZADHAWPNF-MRVPVSSYSA-N 1 2 212.680 2.667 20 30 BFEDLO C#C[C@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000166452617 166217100 /nfs/dbraw/zinc/21/71/00/166217100.db2.gz ULFZCVCHWNKTRG-VIFPVBQESA-N 1 2 222.357 2.552 20 30 BFEDLO N#CC1CCC(CNc2cccc[nH+]2)CC1 ZINC000281765178 346367267 /nfs/dbraw/zinc/36/72/67/346367267.db2.gz ZCQSETRYGVAUPQ-UHFFFAOYSA-N 1 2 215.300 2.823 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000161745049 346383709 /nfs/dbraw/zinc/38/37/09/346383709.db2.gz FWAZGWPOXKNGOB-MRVPVSSYSA-N 1 2 214.671 2.624 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1cscn1 ZINC000161752708 346385964 /nfs/dbraw/zinc/38/59/64/346385964.db2.gz NVXIECIBIUKJDH-ZETCQYMHSA-N 1 2 202.710 2.546 20 30 BFEDLO N#Cc1cc(F)c(CNc2cccc[nH+]2)c(F)c1 ZINC000192747027 365813773 /nfs/dbraw/zinc/81/37/73/365813773.db2.gz LZZKYGJCBTZXRM-UHFFFAOYSA-N 1 2 245.232 2.844 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000165424784 346651408 /nfs/dbraw/zinc/65/14/08/346651408.db2.gz ISLAMGKZTDKHBQ-LBPRGKRZSA-N 1 2 227.311 2.601 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000165424784 346651409 /nfs/dbraw/zinc/65/14/09/346651409.db2.gz ISLAMGKZTDKHBQ-LBPRGKRZSA-N 1 2 227.311 2.601 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)ccc1OC ZINC000310292036 347255843 /nfs/dbraw/zinc/25/58/43/347255843.db2.gz RUIBZEJRKACTPC-GFCCVEGCSA-N 1 2 236.290 2.616 20 30 BFEDLO C=C(C)CC[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000419228642 192107875 /nfs/dbraw/zinc/10/78/75/192107875.db2.gz VFNIIFYYMKIIFK-AWEZNQCLSA-N 1 2 247.338 2.765 20 30 BFEDLO CCOc1cc(Cl)ccc1C[NH2+]CCC#N ZINC000591756900 347691601 /nfs/dbraw/zinc/69/16/01/347691601.db2.gz CJFAIVXURCLROI-UHFFFAOYSA-N 1 2 238.718 2.742 20 30 BFEDLO Cc1cc(N2CC[C@@H](C3CCC3)C2)c(C#N)c[nH+]1 ZINC000591825665 347702065 /nfs/dbraw/zinc/70/20/65/347702065.db2.gz ALLLDVHSFZPIDK-CYBMUJFWSA-N 1 2 241.338 2.888 20 30 BFEDLO N#CCc1ccc(C[N@@H+]2Cc3cccnc3C2)cc1 ZINC000591846185 347706538 /nfs/dbraw/zinc/70/65/38/347706538.db2.gz RDXJMPRSCDQXBU-UHFFFAOYSA-N 1 2 249.317 2.663 20 30 BFEDLO N#CCc1ccc(C[N@H+]2Cc3cccnc3C2)cc1 ZINC000591846185 347706541 /nfs/dbraw/zinc/70/65/41/347706541.db2.gz RDXJMPRSCDQXBU-UHFFFAOYSA-N 1 2 249.317 2.663 20 30 BFEDLO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)C(F)F ZINC000591503253 347668303 /nfs/dbraw/zinc/66/83/03/347668303.db2.gz OTMDZTGXSHPZJA-UHFFFAOYSA-N 1 2 242.244 2.831 20 30 BFEDLO CCC[N@@H+](CC#N)CCCN(C)c1ccccc1 ZINC000592068794 347726513 /nfs/dbraw/zinc/72/65/13/347726513.db2.gz GBALJUNJMDPYSY-UHFFFAOYSA-N 1 2 245.370 2.748 20 30 BFEDLO CCC[N@H+](CC#N)CCCN(C)c1ccccc1 ZINC000592068794 347726515 /nfs/dbraw/zinc/72/65/15/347726515.db2.gz GBALJUNJMDPYSY-UHFFFAOYSA-N 1 2 245.370 2.748 20 30 BFEDLO N#Cc1cnccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000592094574 347739677 /nfs/dbraw/zinc/73/96/77/347739677.db2.gz QOQDOKVGTHOJKV-UHFFFAOYSA-N 1 2 249.317 2.732 20 30 BFEDLO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CC#N)C1 ZINC000592153906 347744121 /nfs/dbraw/zinc/74/41/21/347744121.db2.gz MDAFGHRLLMMGIH-VXGBXAGGSA-N 1 2 206.333 2.658 20 30 BFEDLO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CC#N)C1 ZINC000592153906 347744123 /nfs/dbraw/zinc/74/41/23/347744123.db2.gz MDAFGHRLLMMGIH-VXGBXAGGSA-N 1 2 206.333 2.658 20 30 BFEDLO CC1(C)CC[C@@H](C[N@H+](CC#N)C2CCCC2)O1 ZINC000160371933 347806909 /nfs/dbraw/zinc/80/69/09/347806909.db2.gz SLHHVYHEYGOSQW-ZDUSSCGKSA-N 1 2 236.359 2.712 20 30 BFEDLO CC1(C)CC[C@@H](C[N@@H+](CC#N)C2CCCC2)O1 ZINC000160371933 347806911 /nfs/dbraw/zinc/80/69/11/347806911.db2.gz SLHHVYHEYGOSQW-ZDUSSCGKSA-N 1 2 236.359 2.712 20 30 BFEDLO COCc1cc[nH+]c(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000593696215 347930083 /nfs/dbraw/zinc/93/00/83/347930083.db2.gz FSOAQAPKUKWGFZ-YPMHNXCESA-N 1 2 245.326 2.722 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000593630350 347917796 /nfs/dbraw/zinc/91/77/96/347917796.db2.gz VOLOTZWJHJTQLP-UHFFFAOYSA-N 1 2 241.294 2.729 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000593630350 347917797 /nfs/dbraw/zinc/91/77/97/347917797.db2.gz VOLOTZWJHJTQLP-UHFFFAOYSA-N 1 2 241.294 2.729 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccncc2F)CCCCC1 ZINC000594981010 348164066 /nfs/dbraw/zinc/16/40/66/348164066.db2.gz FIGDVOANMSKZDF-UHFFFAOYSA-N 1 2 247.317 2.784 20 30 BFEDLO CCc1nocc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981619 348164306 /nfs/dbraw/zinc/16/43/06/348164306.db2.gz SBWAWQHNOLRIIY-UHFFFAOYSA-N 1 2 247.342 2.801 20 30 BFEDLO N#CC1(C[NH2+]Cc2cscn2)CCCCC1 ZINC000594994330 348167980 /nfs/dbraw/zinc/16/79/80/348167980.db2.gz KVCJIOACQLSRDF-UHFFFAOYSA-N 1 2 235.356 2.707 20 30 BFEDLO C[C@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595302584 348209751 /nfs/dbraw/zinc/20/97/51/348209751.db2.gz VXNBRPFJOMOVHS-AAEUAGOBSA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595302584 348209754 /nfs/dbraw/zinc/20/97/54/348209754.db2.gz VXNBRPFJOMOVHS-AAEUAGOBSA-N 1 2 200.285 2.593 20 30 BFEDLO CC1(C)CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595330885 348228415 /nfs/dbraw/zinc/22/84/15/348228415.db2.gz QJIMEXOFOMQSIC-CYBMUJFWSA-N 1 2 214.312 2.983 20 30 BFEDLO CC1(C)CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595330885 348228416 /nfs/dbraw/zinc/22/84/16/348228416.db2.gz QJIMEXOFOMQSIC-CYBMUJFWSA-N 1 2 214.312 2.983 20 30 BFEDLO C[C@@H]1C[NH+]([C@H](C#N)c2ccccc2)C[C@H]1C ZINC000595332849 348228800 /nfs/dbraw/zinc/22/88/00/348228800.db2.gz GPPMJPMFOSBVHH-YRGRVCCFSA-N 1 2 214.312 2.839 20 30 BFEDLO CC[N@H+](CCCc1ccccc1)[C@@H](C)C#N ZINC000595813479 348352680 /nfs/dbraw/zinc/35/26/80/348352680.db2.gz UQCXDPFWTRVMOF-ZDUSSCGKSA-N 1 2 216.328 2.853 20 30 BFEDLO CC[N@@H+](CCCc1ccccc1)[C@@H](C)C#N ZINC000595813479 348352683 /nfs/dbraw/zinc/35/26/83/348352683.db2.gz UQCXDPFWTRVMOF-ZDUSSCGKSA-N 1 2 216.328 2.853 20 30 BFEDLO C[C@@H](C#N)[N@H+](CCCC1CCC1)C1CC1 ZINC000595711403 348324206 /nfs/dbraw/zinc/32/42/06/348324206.db2.gz ZVYMMGMOQVCZKS-NSHDSACASA-N 1 2 206.333 2.943 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CCCC1CCC1)C1CC1 ZINC000595711403 348324207 /nfs/dbraw/zinc/32/42/07/348324207.db2.gz ZVYMMGMOQVCZKS-NSHDSACASA-N 1 2 206.333 2.943 20 30 BFEDLO C[C@@H](C#N)[N@H+](CCC1CCCC1)C1CC1 ZINC000595721816 348327604 /nfs/dbraw/zinc/32/76/04/348327604.db2.gz WDDVIAJQIQSJAX-NSHDSACASA-N 1 2 206.333 2.943 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CCC1CCCC1)C1CC1 ZINC000595721816 348327605 /nfs/dbraw/zinc/32/76/05/348327605.db2.gz WDDVIAJQIQSJAX-NSHDSACASA-N 1 2 206.333 2.943 20 30 BFEDLO CC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H](C)C#N ZINC000595816196 348343472 /nfs/dbraw/zinc/34/34/72/348343472.db2.gz FLQRWVIXLLZEOQ-LPWJVIDDSA-N 1 2 206.333 2.657 20 30 BFEDLO CC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H](C)C#N ZINC000595816196 348343475 /nfs/dbraw/zinc/34/34/75/348343475.db2.gz FLQRWVIXLLZEOQ-LPWJVIDDSA-N 1 2 206.333 2.657 20 30 BFEDLO CC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H](C)C#N ZINC000595816195 348343681 /nfs/dbraw/zinc/34/36/81/348343681.db2.gz FLQRWVIXLLZEOQ-LOWDOPEQSA-N 1 2 206.333 2.657 20 30 BFEDLO CC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H](C)C#N ZINC000595816195 348343685 /nfs/dbraw/zinc/34/36/85/348343685.db2.gz FLQRWVIXLLZEOQ-LOWDOPEQSA-N 1 2 206.333 2.657 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000595833622 348367597 /nfs/dbraw/zinc/36/75/97/348367597.db2.gz HWVNOOXFNYOYLW-KKTNHOPESA-N 1 2 226.323 2.935 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000595833622 348367600 /nfs/dbraw/zinc/36/76/00/348367600.db2.gz HWVNOOXFNYOYLW-KKTNHOPESA-N 1 2 226.323 2.935 20 30 BFEDLO CC[N@H+](C[C@H](OC)C1CCCCC1)[C@@H](C)C#N ZINC000595820875 348362263 /nfs/dbraw/zinc/36/22/63/348362263.db2.gz YCBHSOXBRFPHLA-JSGCOSHPSA-N 1 2 238.375 2.816 20 30 BFEDLO CC[N@@H+](C[C@H](OC)C1CCCCC1)[C@@H](C)C#N ZINC000595820875 348362264 /nfs/dbraw/zinc/36/22/64/348362264.db2.gz YCBHSOXBRFPHLA-JSGCOSHPSA-N 1 2 238.375 2.816 20 30 BFEDLO N#CCC1C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000597192255 348670865 /nfs/dbraw/zinc/67/08/65/348670865.db2.gz IUBTVGNPWVHMIF-UHFFFAOYSA-N 1 2 220.703 2.685 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)c(F)c1F ZINC000597085705 348656208 /nfs/dbraw/zinc/65/62/08/348656208.db2.gz HRJJIPHEDOGJBY-VIFPVBQESA-N 1 2 242.244 2.886 20 30 BFEDLO N#CCC1C[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000597204188 348677771 /nfs/dbraw/zinc/67/77/71/348677771.db2.gz SNADRRZFGMFLNT-OWOJBTEDSA-N 1 2 248.276 2.823 20 30 BFEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(F)c1 ZINC000597230946 348698465 /nfs/dbraw/zinc/69/84/65/348698465.db2.gz KJGUYAFNGPODIY-CQSZACIVSA-N 1 2 248.301 2.570 20 30 BFEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(F)c1 ZINC000597230946 348698466 /nfs/dbraw/zinc/69/84/66/348698466.db2.gz KJGUYAFNGPODIY-CQSZACIVSA-N 1 2 248.301 2.570 20 30 BFEDLO Cc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1F ZINC000597231360 348699929 /nfs/dbraw/zinc/69/99/29/348699929.db2.gz LVAGCXOMBCAHLP-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1F ZINC000597231360 348699932 /nfs/dbraw/zinc/69/99/32/348699932.db2.gz LVAGCXOMBCAHLP-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO C=C(C)[C@H](CC(=O)Nc1cc[nH+]cc1C)OCC ZINC000270014906 192377670 /nfs/dbraw/zinc/37/76/70/192377670.db2.gz BXMQKUYZPDDYHC-ZDUSSCGKSA-N 1 2 248.326 2.700 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(F)F)c1cccc(C#N)c1 ZINC000382212955 349268762 /nfs/dbraw/zinc/26/87/62/349268762.db2.gz HMYQSMOQLXMELD-SECBINFHSA-N 1 2 224.254 2.864 20 30 BFEDLO Cc1ncsc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000179426980 180314369 /nfs/dbraw/zinc/31/43/69/180314369.db2.gz MLFAPGFONJBSJW-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000179426980 180314373 /nfs/dbraw/zinc/31/43/73/180314373.db2.gz MLFAPGFONJBSJW-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO C=C(CC)C[NH2+][C@H](C(=O)OCC)[C@H](C)CC ZINC000336771641 350508273 /nfs/dbraw/zinc/50/82/73/350508273.db2.gz UWNNZRUPIJEMBH-NEPJUHHUSA-N 1 2 227.348 2.520 20 30 BFEDLO COc1ccc[nH+]c1N[C@H]1CCC[C@H](C#N)C1 ZINC000618575064 350611744 /nfs/dbraw/zinc/61/17/44/350611744.db2.gz WFBVNSFVBZFHEG-QWRGUYRKSA-N 1 2 231.299 2.584 20 30 BFEDLO N#CCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000051472590 350746205 /nfs/dbraw/zinc/74/62/05/350746205.db2.gz UXXAUOWZVOIPPX-CYBMUJFWSA-N 1 2 218.275 2.876 20 30 BFEDLO N#CCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000051472590 350746210 /nfs/dbraw/zinc/74/62/10/350746210.db2.gz UXXAUOWZVOIPPX-CYBMUJFWSA-N 1 2 218.275 2.876 20 30 BFEDLO Cc1ccccc1[C@H]1CCC[N@@H+]1CC#N ZINC000052212797 350939039 /nfs/dbraw/zinc/93/90/39/350939039.db2.gz LRWLENDZODVQFH-CYBMUJFWSA-N 1 2 200.285 2.656 20 30 BFEDLO Cc1ccccc1[C@H]1CCC[N@H+]1CC#N ZINC000052212797 350939041 /nfs/dbraw/zinc/93/90/41/350939041.db2.gz LRWLENDZODVQFH-CYBMUJFWSA-N 1 2 200.285 2.656 20 30 BFEDLO Cc1ccc(C[N@H+](CCC#N)CC(C)(C)C)nn1 ZINC000414378212 351220130 /nfs/dbraw/zinc/22/01/30/351220130.db2.gz CNBDRNRTHUSSGU-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO Cc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)nn1 ZINC000414378212 351220132 /nfs/dbraw/zinc/22/01/32/351220132.db2.gz CNBDRNRTHUSSGU-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccn(C)n1 ZINC000271153914 351406666 /nfs/dbraw/zinc/40/66/66/351406666.db2.gz GVWYPNRMMAUYQD-UHFFFAOYSA-N 1 2 248.374 2.572 20 30 BFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccn(C)n1 ZINC000271153914 351406669 /nfs/dbraw/zinc/40/66/69/351406669.db2.gz GVWYPNRMMAUYQD-UHFFFAOYSA-N 1 2 248.374 2.572 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnc2ccccc2c1 ZINC000271174839 351407464 /nfs/dbraw/zinc/40/74/64/351407464.db2.gz SHEDWIQYYINGOX-LBPRGKRZSA-N 1 2 239.322 2.969 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000271174839 351407469 /nfs/dbraw/zinc/40/74/69/351407469.db2.gz SHEDWIQYYINGOX-LBPRGKRZSA-N 1 2 239.322 2.969 20 30 BFEDLO C=C(C)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000274803169 351583704 /nfs/dbraw/zinc/58/37/04/351583704.db2.gz RSZPFXKGIPAWPX-UHFFFAOYSA-N 1 2 229.327 2.763 20 30 BFEDLO C=C(C)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000274803169 351583707 /nfs/dbraw/zinc/58/37/07/351583707.db2.gz RSZPFXKGIPAWPX-UHFFFAOYSA-N 1 2 229.327 2.763 20 30 BFEDLO C=CCC[C@@H]([NH2+]Cc1ncccn1)c1ccco1 ZINC000577651659 366033143 /nfs/dbraw/zinc/03/31/43/366033143.db2.gz MZCJUKSYBRACJC-GFCCVEGCSA-N 1 2 243.310 2.867 20 30 BFEDLO C[C@@H]([NH2+]CCCC#N)c1ccc(F)c(F)c1O ZINC000276974943 351667140 /nfs/dbraw/zinc/66/71/40/351667140.db2.gz UUMGMBHOBJFCHS-MRVPVSSYSA-N 1 2 240.253 2.625 20 30 BFEDLO N#CCC1(C[N@@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000405093913 351741434 /nfs/dbraw/zinc/74/14/34/351741434.db2.gz XYHKVBIQVASFQX-UHFFFAOYSA-N 1 2 237.306 2.568 20 30 BFEDLO N#CCC1(C[N@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000405093913 351741439 /nfs/dbraw/zinc/74/14/39/351741439.db2.gz XYHKVBIQVASFQX-UHFFFAOYSA-N 1 2 237.306 2.568 20 30 BFEDLO Cc1ccc(NC(=O)CC(C)(C)C#N)c(C)[nH+]1 ZINC000278947082 351791483 /nfs/dbraw/zinc/79/14/83/351791483.db2.gz GSSSDQHKOOPXBJ-UHFFFAOYSA-N 1 2 231.299 2.577 20 30 BFEDLO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000405137292 351898038 /nfs/dbraw/zinc/89/80/38/351898038.db2.gz RCIBPGYJZXOBSV-UHFFFAOYSA-N 1 2 218.300 2.762 20 30 BFEDLO C=CC[NH+](CC=C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000411165547 191166828 /nfs/dbraw/zinc/16/68/28/191166828.db2.gz PTVWOSJBHRXHGQ-LBPRGKRZSA-N 1 2 239.359 2.781 20 30 BFEDLO CCC[N@H+](CC(F)F)[C@@H](C)CCC#N ZINC000411228847 191170959 /nfs/dbraw/zinc/17/09/59/191170959.db2.gz SALRLMFCKFSLGJ-VIFPVBQESA-N 1 2 204.264 2.656 20 30 BFEDLO CCC[N@@H+](CC(F)F)[C@@H](C)CCC#N ZINC000411228847 191170962 /nfs/dbraw/zinc/17/09/62/191170962.db2.gz SALRLMFCKFSLGJ-VIFPVBQESA-N 1 2 204.264 2.656 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411220347 191172707 /nfs/dbraw/zinc/17/27/07/191172707.db2.gz CDSOWYCMRAJWCL-CYBMUJFWSA-N 1 2 233.359 2.942 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411220347 191172709 /nfs/dbraw/zinc/17/27/09/191172709.db2.gz CDSOWYCMRAJWCL-CYBMUJFWSA-N 1 2 233.359 2.942 20 30 BFEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1Cl)C1CC1 ZINC000271364764 166346245 /nfs/dbraw/zinc/34/62/45/166346245.db2.gz GAZNSEARNOVFMQ-UHFFFAOYSA-N 1 2 239.750 2.532 20 30 BFEDLO C=CC[N@H+](Cc1c(C)nn(C)c1Cl)C1CC1 ZINC000271364764 166346247 /nfs/dbraw/zinc/34/62/47/166346247.db2.gz GAZNSEARNOVFMQ-UHFFFAOYSA-N 1 2 239.750 2.532 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000380175611 352550735 /nfs/dbraw/zinc/55/07/35/352550735.db2.gz JPDVIBWHKOIRCS-UHFFFAOYSA-N 1 2 220.703 2.733 20 30 BFEDLO C=CCCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000175485790 187905253 /nfs/dbraw/zinc/90/52/53/187905253.db2.gz LNMRDAUVIKZUSU-GFCCVEGCSA-N 1 2 247.342 2.820 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cn2cc(C)ccc2n1 ZINC000052868511 353217747 /nfs/dbraw/zinc/21/77/47/353217747.db2.gz DOAIIBWKDTUMTL-UHFFFAOYSA-N 1 2 241.338 2.817 20 30 BFEDLO C=CC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000121193591 324005718 /nfs/dbraw/zinc/00/57/18/324005718.db2.gz LFHGYJWDTLEVMO-UHFFFAOYSA-N 1 2 240.690 2.866 20 30 BFEDLO C=CC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000121193591 324005720 /nfs/dbraw/zinc/00/57/20/324005720.db2.gz LFHGYJWDTLEVMO-UHFFFAOYSA-N 1 2 240.690 2.866 20 30 BFEDLO C=CC[N@@H+]1CCC(C)=C(Br)C1 ZINC000281234224 353438769 /nfs/dbraw/zinc/43/87/69/353438769.db2.gz UFSYXRACLXFVKS-UHFFFAOYSA-N 1 2 216.122 2.547 20 30 BFEDLO C=CC[N@H+]1CCC(C)=C(Br)C1 ZINC000281234224 353438772 /nfs/dbraw/zinc/43/87/72/353438772.db2.gz UFSYXRACLXFVKS-UHFFFAOYSA-N 1 2 216.122 2.547 20 30 BFEDLO C=CCCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000283120882 353491449 /nfs/dbraw/zinc/49/14/49/353491449.db2.gz WIAQVHFIQQBVBK-GFCCVEGCSA-N 1 2 235.331 2.579 20 30 BFEDLO C#CC[N@@H+](CC)Cc1ccc(Cl)nc1Cl ZINC000283216688 353493390 /nfs/dbraw/zinc/49/33/90/353493390.db2.gz SKRAAINOQMGYTC-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO C#CC[N@H+](CC)Cc1ccc(Cl)nc1Cl ZINC000283216688 353493392 /nfs/dbraw/zinc/49/33/92/353493392.db2.gz SKRAAINOQMGYTC-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO C=CC[C@H](CC)NC(=O)Nc1cc[nH+]cc1C ZINC000281957322 353459820 /nfs/dbraw/zinc/45/98/20/353459820.db2.gz MSTUPSUHZLVDPH-NSHDSACASA-N 1 2 233.315 2.866 20 30 BFEDLO C=CCN(C(=O)Nc1c(C)cc[nH+]c1C)C1CC1 ZINC000287524641 353578355 /nfs/dbraw/zinc/57/83/55/353578355.db2.gz NBNTXVLNGVHISM-UHFFFAOYSA-N 1 2 245.326 2.881 20 30 BFEDLO C#CC(C)(C)[N@H+](C)C/C(Cl)=C/Cl ZINC000286173024 353552882 /nfs/dbraw/zinc/55/28/82/353552882.db2.gz OTNMZNSRNGPJBD-VURMDHGXSA-N 1 2 206.116 2.649 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)C/C(Cl)=C/Cl ZINC000286173024 353552887 /nfs/dbraw/zinc/55/28/87/353552887.db2.gz OTNMZNSRNGPJBD-VURMDHGXSA-N 1 2 206.116 2.649 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000286132426 353557538 /nfs/dbraw/zinc/55/75/38/353557538.db2.gz MTGULTBISXPKOU-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000286132426 353557539 /nfs/dbraw/zinc/55/75/39/353557539.db2.gz MTGULTBISXPKOU-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)c(F)cc1F ZINC000184083636 353615094 /nfs/dbraw/zinc/61/50/94/353615094.db2.gz GYVLGWXCSBHSMX-VIFPVBQESA-N 1 2 242.244 2.886 20 30 BFEDLO C=CCC(C)(C)C(=O)OCc1c[nH+]ccc1OC ZINC000292355124 353711854 /nfs/dbraw/zinc/71/18/54/353711854.db2.gz ZEUAIYIALJVAMT-UHFFFAOYSA-N 1 2 249.310 2.736 20 30 BFEDLO CC#CC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000293088777 353732731 /nfs/dbraw/zinc/73/27/31/353732731.db2.gz KFUUPRLXPMKLAD-UHFFFAOYSA-N 1 2 240.306 2.797 20 30 BFEDLO CC#CC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000293088777 353732735 /nfs/dbraw/zinc/73/27/35/353732735.db2.gz KFUUPRLXPMKLAD-UHFFFAOYSA-N 1 2 240.306 2.797 20 30 BFEDLO C#Cc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000294968605 353794779 /nfs/dbraw/zinc/79/47/79/353794779.db2.gz NTFADLPBCIKREA-UHFFFAOYSA-N 1 2 249.317 2.947 20 30 BFEDLO N#CC[N@H+](CCC1CCCCC1)C1CC1 ZINC000361565699 181040769 /nfs/dbraw/zinc/04/07/69/181040769.db2.gz OAGHPYJJZPMPDH-UHFFFAOYSA-N 1 2 206.333 2.945 20 30 BFEDLO N#CC[N@@H+](CCC1CCCCC1)C1CC1 ZINC000361565699 181040771 /nfs/dbraw/zinc/04/07/71/181040771.db2.gz OAGHPYJJZPMPDH-UHFFFAOYSA-N 1 2 206.333 2.945 20 30 BFEDLO N#CC1(CCn2cc[nH+]c2)CCCCC1 ZINC000334563157 354079325 /nfs/dbraw/zinc/07/93/25/354079325.db2.gz SBCRAOPELZDLID-UHFFFAOYSA-N 1 2 203.289 2.747 20 30 BFEDLO N#Cc1ccc(-c2cccc3[nH+]ccn32)cc1 ZINC000061902262 181095027 /nfs/dbraw/zinc/09/50/27/181095027.db2.gz XPTHEEIIXRKMGC-UHFFFAOYSA-N 1 2 219.247 2.873 20 30 BFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)cc1F ZINC000336511693 181103554 /nfs/dbraw/zinc/10/35/54/181103554.db2.gz WUCMRMVBQBJIBP-GFCCVEGCSA-N 1 2 236.265 2.631 20 30 BFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1F ZINC000336511693 181103556 /nfs/dbraw/zinc/10/35/56/181103556.db2.gz WUCMRMVBQBJIBP-GFCCVEGCSA-N 1 2 236.265 2.631 20 30 BFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CF)s1 ZINC000294242272 181103766 /nfs/dbraw/zinc/10/37/66/181103766.db2.gz ZWADREBGPUCYRI-VIFPVBQESA-N 1 2 224.304 2.554 20 30 BFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CF)s1 ZINC000294242272 181103767 /nfs/dbraw/zinc/10/37/67/181103767.db2.gz ZWADREBGPUCYRI-VIFPVBQESA-N 1 2 224.304 2.554 20 30 BFEDLO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CC#N ZINC000334665651 354467463 /nfs/dbraw/zinc/46/74/63/354467463.db2.gz HEGOCYNNRGTIAW-ZDUSSCGKSA-N 1 2 214.312 2.778 20 30 BFEDLO CC1(C)[C@H](c2ccccc2)CC[N@H+]1CC#N ZINC000334665651 354467465 /nfs/dbraw/zinc/46/74/65/354467465.db2.gz HEGOCYNNRGTIAW-ZDUSSCGKSA-N 1 2 214.312 2.778 20 30 BFEDLO CC[N@@H+](CC#N)CCCCC(C)(C)C#N ZINC000233443068 363402594 /nfs/dbraw/zinc/40/25/94/363402594.db2.gz MHCMRRMBDKOELY-UHFFFAOYSA-N 1 2 207.321 2.552 20 30 BFEDLO CC[N@H+](CC#N)CCCCC(C)(C)C#N ZINC000233443068 363402598 /nfs/dbraw/zinc/40/25/98/363402598.db2.gz MHCMRRMBDKOELY-UHFFFAOYSA-N 1 2 207.321 2.552 20 30 BFEDLO C[C@@H]1CCCC[C@@H]1C[N@H+](CC#N)C1CC1 ZINC000346137686 354870218 /nfs/dbraw/zinc/87/02/18/354870218.db2.gz IHHZKEINDSZXSR-VXGBXAGGSA-N 1 2 206.333 2.801 20 30 BFEDLO C[C@@H]1CCCC[C@@H]1C[N@@H+](CC#N)C1CC1 ZINC000346137686 354870220 /nfs/dbraw/zinc/87/02/20/354870220.db2.gz IHHZKEINDSZXSR-VXGBXAGGSA-N 1 2 206.333 2.801 20 30 BFEDLO C[C@@H]([NH2+]CCC#N)c1cccc(F)c1F ZINC000235216638 363440440 /nfs/dbraw/zinc/44/04/40/363440440.db2.gz KEHOJIRMKDTSIL-MRVPVSSYSA-N 1 2 210.227 2.529 20 30 BFEDLO CCc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cn1 ZINC000347620101 355237197 /nfs/dbraw/zinc/23/71/97/355237197.db2.gz YBPBZVUILMPNOZ-LBPRGKRZSA-N 1 2 231.343 2.626 20 30 BFEDLO CCc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cn1 ZINC000347620101 355237199 /nfs/dbraw/zinc/23/71/99/355237199.db2.gz YBPBZVUILMPNOZ-LBPRGKRZSA-N 1 2 231.343 2.626 20 30 BFEDLO Cc1cc(NCC(C)(C)CC#N)nc(C(C)C)[nH+]1 ZINC000413403984 191380226 /nfs/dbraw/zinc/38/02/26/191380226.db2.gz HPIQSVPJJAMTSA-UHFFFAOYSA-N 1 2 246.358 2.682 20 30 BFEDLO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccon1 ZINC000349231886 355370954 /nfs/dbraw/zinc/37/09/54/355370954.db2.gz BBEMOASDJGACJJ-LLVKDONJSA-N 1 2 244.269 2.516 20 30 BFEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC12CCCC2 ZINC000330106057 356170783 /nfs/dbraw/zinc/17/07/83/356170783.db2.gz KIPJADRXBHNUDJ-JTQLQIEISA-N 1 2 233.315 2.755 20 30 BFEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC12CCCC2 ZINC000330106058 356171401 /nfs/dbraw/zinc/17/14/01/356171401.db2.gz KIPJADRXBHNUDJ-SNVBAGLBSA-N 1 2 233.315 2.755 20 30 BFEDLO 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227.311 2.818 20 30 BFEDLO N#CC[N@H+](CCCc1ccncc1)C1CCCC1 ZINC000360453150 134200485 /nfs/dbraw/zinc/20/04/85/134200485.db2.gz BPGLQRZNMQXHSR-UHFFFAOYSA-N 1 2 243.354 2.782 20 30 BFEDLO N#CC[N@@H+](CCCc1ccncc1)C1CCCC1 ZINC000360453150 134200486 /nfs/dbraw/zinc/20/04/86/134200486.db2.gz BPGLQRZNMQXHSR-UHFFFAOYSA-N 1 2 243.354 2.782 20 30 BFEDLO CC[C@]1(C)COCC[N@@H+]1CC#Cc1ccccc1 ZINC000361867655 134207779 /nfs/dbraw/zinc/20/77/79/134207779.db2.gz ITDPYHPGJUQZHV-MRXNPFEDSA-N 1 2 243.350 2.539 20 30 BFEDLO CC[C@]1(C)COCC[N@H+]1CC#Cc1ccccc1 ZINC000361867655 134207780 /nfs/dbraw/zinc/20/77/80/134207780.db2.gz ITDPYHPGJUQZHV-MRXNPFEDSA-N 1 2 243.350 2.539 20 30 BFEDLO N#CC1(C[N@H+](Cc2cccnc2)C2CC2)CCC1 ZINC000450629059 202218456 /nfs/dbraw/zinc/21/84/56/202218456.db2.gz NUQAHHROHLSESD-UHFFFAOYSA-N 1 2 241.338 2.740 20 30 BFEDLO N#CC1(C[N@@H+](Cc2cccnc2)C2CC2)CCC1 ZINC000450629059 202218461 /nfs/dbraw/zinc/21/84/61/202218461.db2.gz NUQAHHROHLSESD-UHFFFAOYSA-N 1 2 241.338 2.740 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1nnc(C(C)C)s1 ZINC000450702136 202238422 /nfs/dbraw/zinc/23/84/22/202238422.db2.gz PULPLNBEUXAWIN-UHFFFAOYSA-N 1 2 225.361 2.669 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1nnc(C(C)C)s1 ZINC000450702136 202238424 /nfs/dbraw/zinc/23/84/24/202238424.db2.gz PULPLNBEUXAWIN-UHFFFAOYSA-N 1 2 225.361 2.669 20 30 BFEDLO N#Cc1ccc2[nH+]cc(CNc3ccccc3)n2c1 ZINC000174285888 134280154 /nfs/dbraw/zinc/28/01/54/134280154.db2.gz AOOPHKSWNXXPST-UHFFFAOYSA-N 1 2 248.289 2.818 20 30 BFEDLO CC#CC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128792097 358580323 /nfs/dbraw/zinc/58/03/23/358580323.db2.gz PHYVZKSHVNRPKS-OAHLLOKOSA-N 1 2 247.313 2.531 20 30 BFEDLO CC#CC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128792097 358580326 /nfs/dbraw/zinc/58/03/26/358580326.db2.gz PHYVZKSHVNRPKS-OAHLLOKOSA-N 1 2 247.313 2.531 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000611247347 359260191 /nfs/dbraw/zinc/26/01/91/359260191.db2.gz VMEIIOSARACQFZ-NSHDSACASA-N 1 2 247.342 2.651 20 30 BFEDLO CCC(CC)C[N@H+](CCC#N)Cc1cn[nH]c1 ZINC000611268808 359284830 /nfs/dbraw/zinc/28/48/30/359284830.db2.gz IIXQHLXXDATEFG-UHFFFAOYSA-N 1 2 234.347 2.562 20 30 BFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cn[nH]c1 ZINC000611268808 359284831 /nfs/dbraw/zinc/28/48/31/359284831.db2.gz IIXQHLXXDATEFG-UHFFFAOYSA-N 1 2 234.347 2.562 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(F)ccc1F ZINC000611433125 359365079 /nfs/dbraw/zinc/36/50/79/359365079.db2.gz KKWPBBOOGZDHKC-SECBINFHSA-N 1 2 236.265 2.919 20 30 BFEDLO Cc1ccc(C[N@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000611429168 359368058 /nfs/dbraw/zinc/36/80/58/359368058.db2.gz WEUWYFDVHKOEDI-UHFFFAOYSA-N 1 2 230.311 2.856 20 30 BFEDLO Cc1ccc(C[N@@H+](CC2(C#N)CC2)C2CC2)o1 ZINC000611429168 359368061 /nfs/dbraw/zinc/36/80/61/359368061.db2.gz WEUWYFDVHKOEDI-UHFFFAOYSA-N 1 2 230.311 2.856 20 30 BFEDLO N#CC1(C[N@H+]2CC[C@H]2c2cccc(F)c2)CC1 ZINC000611430044 359368848 /nfs/dbraw/zinc/36/88/48/359368848.db2.gz ROHZRYATAFCDKC-ZDUSSCGKSA-N 1 2 230.286 2.876 20 30 BFEDLO N#CC1(C[N@@H+]2CC[C@H]2c2cccc(F)c2)CC1 ZINC000611430044 359368855 /nfs/dbraw/zinc/36/88/55/359368855.db2.gz ROHZRYATAFCDKC-ZDUSSCGKSA-N 1 2 230.286 2.876 20 30 BFEDLO Cc1nc(N2CCC(CC#N)CC2)c(C)c(C)[nH+]1 ZINC000611617954 359406536 /nfs/dbraw/zinc/40/65/36/359406536.db2.gz GEGRYVVGXDSQOK-UHFFFAOYSA-N 1 2 244.342 2.532 20 30 BFEDLO C#CC[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000274180515 359511737 /nfs/dbraw/zinc/51/17/37/359511737.db2.gz XXBBEPJKZMVIJX-UHFFFAOYSA-N 1 2 235.714 2.643 20 30 BFEDLO C#CC[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000274180515 359511741 /nfs/dbraw/zinc/51/17/41/359511741.db2.gz XXBBEPJKZMVIJX-UHFFFAOYSA-N 1 2 235.714 2.643 20 30 BFEDLO CCc1noc(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167470 359717388 /nfs/dbraw/zinc/71/73/88/359717388.db2.gz NPKZLEQDOSDYSO-CQSZACIVSA-N 1 2 247.342 2.671 20 30 BFEDLO CCc1noc(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167470 359717392 /nfs/dbraw/zinc/71/73/92/359717392.db2.gz NPKZLEQDOSDYSO-CQSZACIVSA-N 1 2 247.342 2.671 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000612159493 359710098 /nfs/dbraw/zinc/71/00/98/359710098.db2.gz VKMQYGULDILWDS-HNNXBMFYSA-N 1 2 239.322 2.684 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000612159493 359710100 /nfs/dbraw/zinc/71/01/00/359710100.db2.gz VKMQYGULDILWDS-HNNXBMFYSA-N 1 2 239.322 2.684 20 30 BFEDLO CCc1noc(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167469 359716813 /nfs/dbraw/zinc/71/68/13/359716813.db2.gz NPKZLEQDOSDYSO-AWEZNQCLSA-N 1 2 247.342 2.671 20 30 BFEDLO CCc1noc(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167469 359716816 /nfs/dbraw/zinc/71/68/16/359716816.db2.gz NPKZLEQDOSDYSO-AWEZNQCLSA-N 1 2 247.342 2.671 20 30 BFEDLO Cc1ncccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406754 359833122 /nfs/dbraw/zinc/83/31/22/359833122.db2.gz SLPHGANJJOATOY-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ncccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406754 359833126 /nfs/dbraw/zinc/83/31/26/359833126.db2.gz SLPHGANJJOATOY-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000612406100 359833614 /nfs/dbraw/zinc/83/36/14/359833614.db2.gz IEIDYVCQAZXCAM-CYBMUJFWSA-N 1 2 245.351 2.745 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000612406100 359833619 /nfs/dbraw/zinc/83/36/19/359833619.db2.gz IEIDYVCQAZXCAM-CYBMUJFWSA-N 1 2 245.351 2.745 20 30 BFEDLO Cc1ncsc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406030 359833721 /nfs/dbraw/zinc/83/37/21/359833721.db2.gz GRFMQXPGHHPADR-LBPRGKRZSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1ncsc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406030 359833726 /nfs/dbraw/zinc/83/37/26/359833726.db2.gz GRFMQXPGHHPADR-LBPRGKRZSA-N 1 2 235.356 2.577 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccsc2)C1 ZINC000612404388 359832359 /nfs/dbraw/zinc/83/23/59/359832359.db2.gz UZIOBTHTGQCCMO-GFCCVEGCSA-N 1 2 220.341 2.874 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccsc2)C1 ZINC000612404388 359832361 /nfs/dbraw/zinc/83/23/61/359832361.db2.gz UZIOBTHTGQCCMO-GFCCVEGCSA-N 1 2 220.341 2.874 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCCc1cc(CC)no1 ZINC000451055272 202341686 /nfs/dbraw/zinc/34/16/86/202341686.db2.gz DAIPLYJJHKKEQB-UHFFFAOYSA-N 1 2 247.342 2.571 20 30 BFEDLO C=CC[N@H+](CCC#N)CCCc1cc(CC)no1 ZINC000451055272 202341688 /nfs/dbraw/zinc/34/16/88/202341688.db2.gz DAIPLYJJHKKEQB-UHFFFAOYSA-N 1 2 247.342 2.571 20 30 BFEDLO C=CCOCCNc1[nH+]ccc(C)c1Cl ZINC000309177550 491145940 /nfs/dbraw/zinc/14/59/40/491145940.db2.gz NGKFTGYKRJSSCQ-UHFFFAOYSA-N 1 2 226.707 2.658 20 30 BFEDLO CC1(C#N)C[NH+](CCCc2cccc(F)c2)C1 ZINC000551040157 325546615 /nfs/dbraw/zinc/54/66/15/325546615.db2.gz VQRPKXPGDRHIJX-UHFFFAOYSA-N 1 2 232.302 2.604 20 30 BFEDLO N#CC[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000090010507 360054328 /nfs/dbraw/zinc/05/43/28/360054328.db2.gz RHQBEUIQBKMVGZ-OAHLLOKOSA-N 1 2 228.339 2.997 20 30 BFEDLO N#CC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000090010507 360054331 /nfs/dbraw/zinc/05/43/31/360054331.db2.gz RHQBEUIQBKMVGZ-OAHLLOKOSA-N 1 2 228.339 2.997 20 30 BFEDLO CC[N@@H+](Cc1cc(F)cc(F)c1)C[C@@H](C)C#N ZINC000091982320 360141359 /nfs/dbraw/zinc/14/13/59/360141359.db2.gz YHJRIKVLLHJCQL-JTQLQIEISA-N 1 2 238.281 2.946 20 30 BFEDLO CC[N@H+](Cc1cc(F)cc(F)c1)C[C@@H](C)C#N ZINC000091982320 360141361 /nfs/dbraw/zinc/14/13/61/360141361.db2.gz YHJRIKVLLHJCQL-JTQLQIEISA-N 1 2 238.281 2.946 20 30 BFEDLO CC[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H](C)C#N ZINC000091984184 360141390 /nfs/dbraw/zinc/14/13/90/360141390.db2.gz ASSPFFLRGOEQHN-LBPRGKRZSA-N 1 2 248.374 2.620 20 30 BFEDLO CC[N@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H](C)C#N ZINC000091984184 360141391 /nfs/dbraw/zinc/14/13/91/360141391.db2.gz ASSPFFLRGOEQHN-LBPRGKRZSA-N 1 2 248.374 2.620 20 30 BFEDLO C=CC[N@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000092261511 360160686 /nfs/dbraw/zinc/16/06/86/360160686.db2.gz BTULFCKRWDIOIR-UHFFFAOYSA-N 1 2 227.311 2.598 20 30 BFEDLO C=CC[N@@H+](Cc1cnc[nH]1)Cc1ccccc1 ZINC000092261511 360160693 /nfs/dbraw/zinc/16/06/93/360160693.db2.gz BTULFCKRWDIOIR-UHFFFAOYSA-N 1 2 227.311 2.598 20 30 BFEDLO C=CC[N@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC000092261511 360160700 /nfs/dbraw/zinc/16/07/00/360160700.db2.gz BTULFCKRWDIOIR-UHFFFAOYSA-N 1 2 227.311 2.598 20 30 BFEDLO C=CC[N@@H+](Cc1c[nH]cn1)Cc1ccccc1 ZINC000092261511 360160702 /nfs/dbraw/zinc/16/07/02/360160702.db2.gz BTULFCKRWDIOIR-UHFFFAOYSA-N 1 2 227.311 2.598 20 30 BFEDLO C=C(C)CN(C)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631195720 360643420 /nfs/dbraw/zinc/64/34/20/360643420.db2.gz BNMRYXIWEHVOTQ-UHFFFAOYSA-N 1 2 242.326 2.848 20 30 BFEDLO C[N@H+](Cc1cccc(C#N)c1F)CC(C)(C)C#N ZINC000433325647 201181289 /nfs/dbraw/zinc/18/12/89/201181289.db2.gz JVXUZGWEESKRRP-UHFFFAOYSA-N 1 2 245.301 2.679 20 30 BFEDLO C[N@@H+](Cc1cccc(C#N)c1F)CC(C)(C)C#N ZINC000433325647 201181291 /nfs/dbraw/zinc/18/12/91/201181291.db2.gz JVXUZGWEESKRRP-UHFFFAOYSA-N 1 2 245.301 2.679 20 30 BFEDLO Cc1ccc(C[N@@H+](C)CC(C)(C)C#N)c(C)n1 ZINC000433294771 201176094 /nfs/dbraw/zinc/17/60/94/201176094.db2.gz AUTZVAHFRHBKBQ-UHFFFAOYSA-N 1 2 231.343 2.680 20 30 BFEDLO Cc1ccc(C[N@H+](C)CC(C)(C)C#N)c(C)n1 ZINC000433294771 201176096 /nfs/dbraw/zinc/17/60/96/201176096.db2.gz AUTZVAHFRHBKBQ-UHFFFAOYSA-N 1 2 231.343 2.680 20 30 BFEDLO Cc1ccc(CCC[NH+]2CC(C)(C#N)C2)cc1 ZINC000574410617 365047033 /nfs/dbraw/zinc/04/70/33/365047033.db2.gz ROHBONFIBFGXBH-UHFFFAOYSA-N 1 2 228.339 2.773 20 30 BFEDLO CC(C)(C)c1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000575069419 365187574 /nfs/dbraw/zinc/18/75/74/365187574.db2.gz BQKOLONZJVHEFB-UHFFFAOYSA-N 1 2 249.383 2.834 20 30 BFEDLO C=CCC(C)(C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000575805365 365369615 /nfs/dbraw/zinc/36/96/15/365369615.db2.gz KRWMBQWUISYWEL-GFCCVEGCSA-N 1 2 249.358 2.553 20 30 BFEDLO CC[N@@H+](Cc1cnn(CC(C)C)c1)C[C@H](C)C#N ZINC000183128102 366978853 /nfs/dbraw/zinc/97/88/53/366978853.db2.gz WTNDNOIZBNIXFI-CYBMUJFWSA-N 1 2 248.374 2.521 20 30 BFEDLO CC[N@H+](Cc1cnn(CC(C)C)c1)C[C@H](C)C#N ZINC000183128102 366978859 /nfs/dbraw/zinc/97/88/59/366978859.db2.gz WTNDNOIZBNIXFI-CYBMUJFWSA-N 1 2 248.374 2.521 20 30 BFEDLO C[C@H](c1cccc(F)c1)[N@H+](C)CCC#N ZINC000194987455 367328523 /nfs/dbraw/zinc/32/85/23/367328523.db2.gz HQQYDUBLZDOJEO-SNVBAGLBSA-N 1 2 206.264 2.732 20 30 BFEDLO C[C@H](c1cccc(F)c1)[N@@H+](C)CCC#N ZINC000194987455 367328529 /nfs/dbraw/zinc/32/85/29/367328529.db2.gz HQQYDUBLZDOJEO-SNVBAGLBSA-N 1 2 206.264 2.732 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(C2CC2)cs1 ZINC000566429056 326040686 /nfs/dbraw/zinc/04/06/86/326040686.db2.gz PCBLDUBHPAXFLY-JTQLQIEISA-N 1 2 235.356 2.802 20 30 BFEDLO C=CCN(Cc1cccs1)Cc1[nH+]ccn1C ZINC000057621073 368497428 /nfs/dbraw/zinc/49/74/28/368497428.db2.gz WPKSPQLREFKYLT-UHFFFAOYSA-N 1 2 247.367 2.670 20 30 BFEDLO C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](C)C#N ZINC000064798352 368614373 /nfs/dbraw/zinc/61/43/73/368614373.db2.gz VLWJIWVPPGGPNP-GHMZBOCLSA-N 1 2 220.291 2.978 20 30 BFEDLO C[C@H](c1ccccc1F)[N@H+](C)C[C@H](C)C#N ZINC000064798352 368614376 /nfs/dbraw/zinc/61/43/76/368614376.db2.gz VLWJIWVPPGGPNP-GHMZBOCLSA-N 1 2 220.291 2.978 20 30 BFEDLO C[N@@H+](Cc1cccs1)C[C@H](C#N)CCC#N ZINC000072589885 368775494 /nfs/dbraw/zinc/77/54/94/368775494.db2.gz ZVEYHUVWUYDNSP-NSHDSACASA-N 1 2 233.340 2.623 20 30 BFEDLO C[N@H+](Cc1cccs1)C[C@H](C#N)CCC#N ZINC000072589885 368775498 /nfs/dbraw/zinc/77/54/98/368775498.db2.gz ZVEYHUVWUYDNSP-NSHDSACASA-N 1 2 233.340 2.623 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccccn1 ZINC000155311367 326191968 /nfs/dbraw/zinc/19/19/68/326191968.db2.gz CDBOQQWWBPHUAZ-NEPJUHHUSA-N 1 2 217.316 2.624 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccccn1 ZINC000155311367 326191970 /nfs/dbraw/zinc/19/19/70/326191970.db2.gz CDBOQQWWBPHUAZ-NEPJUHHUSA-N 1 2 217.316 2.624 20 30 BFEDLO C=CCCCCC[N@H+]1CC[C@](F)(C#N)C1 ZINC000618758067 369210931 /nfs/dbraw/zinc/21/09/31/369210931.db2.gz KUSONHUVDRAQEI-LBPRGKRZSA-N 1 2 210.296 2.670 20 30 BFEDLO C=CCCCCC[N@@H+]1CC[C@](F)(C#N)C1 ZINC000618758067 369210933 /nfs/dbraw/zinc/21/09/33/369210933.db2.gz KUSONHUVDRAQEI-LBPRGKRZSA-N 1 2 210.296 2.670 20 30 BFEDLO C=CCCCCC[N@H+]1CC[C@@](F)(C#N)C1 ZINC000618758065 369211928 /nfs/dbraw/zinc/21/19/28/369211928.db2.gz KUSONHUVDRAQEI-GFCCVEGCSA-N 1 2 210.296 2.670 20 30 BFEDLO C=CCCCCC[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000618758065 369211930 /nfs/dbraw/zinc/21/19/30/369211930.db2.gz KUSONHUVDRAQEI-GFCCVEGCSA-N 1 2 210.296 2.670 20 30 BFEDLO CCCC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459302106 203250365 /nfs/dbraw/zinc/25/03/65/203250365.db2.gz RRSOUIYBGQPMRX-UHFFFAOYSA-N 1 2 247.298 2.698 20 30 BFEDLO CCCC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459302106 203250370 /nfs/dbraw/zinc/25/03/70/203250370.db2.gz RRSOUIYBGQPMRX-UHFFFAOYSA-N 1 2 247.298 2.698 20 30 BFEDLO Cc1cc(C)c(C[NH+]2CC(C)(C#N)C2)cc1C ZINC000459600540 203311066 /nfs/dbraw/zinc/31/10/66/203311066.db2.gz UKBNQGBACOXDPQ-UHFFFAOYSA-N 1 2 228.339 2.957 20 30 BFEDLO N#Cc1cccc2c1C[N@H+](CC1=CCCC1)C2 ZINC000405191524 369450036 /nfs/dbraw/zinc/45/00/36/369450036.db2.gz WNPWMXOTDGXVAP-UHFFFAOYSA-N 1 2 224.307 2.984 20 30 BFEDLO N#Cc1cccc2c1C[N@@H+](CC1=CCCC1)C2 ZINC000405191524 369450037 /nfs/dbraw/zinc/45/00/37/369450037.db2.gz WNPWMXOTDGXVAP-UHFFFAOYSA-N 1 2 224.307 2.984 20 30 BFEDLO Cc1cc(C)cc(OCC[N@@H+](C)C[C@H](C)C#N)c1 ZINC000072879190 369503064 /nfs/dbraw/zinc/50/30/64/369503064.db2.gz IVYDHSYEUMSEHW-CQSZACIVSA-N 1 2 246.354 2.774 20 30 BFEDLO Cc1cc(C)cc(OCC[N@H+](C)C[C@H](C)C#N)c1 ZINC000072879190 369503065 /nfs/dbraw/zinc/50/30/65/369503065.db2.gz IVYDHSYEUMSEHW-CQSZACIVSA-N 1 2 246.354 2.774 20 30 BFEDLO Cc1cc(N2CC(c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000601209340 369605169 /nfs/dbraw/zinc/60/51/69/369605169.db2.gz AKWARVATIBTKOC-UHFFFAOYSA-N 1 2 249.317 2.866 20 30 BFEDLO C[C@H](C[N@@H+]1CC[C@@](F)(C#N)C1)C(C)(C)C ZINC000619845834 369618610 /nfs/dbraw/zinc/61/86/10/369618610.db2.gz PLYXRTNDYWLSCW-ZYHUDNBSSA-N 1 2 212.312 2.606 20 30 BFEDLO C[C@H](C[N@H+]1CC[C@@](F)(C#N)C1)C(C)(C)C ZINC000619845834 369618613 /nfs/dbraw/zinc/61/86/13/369618613.db2.gz PLYXRTNDYWLSCW-ZYHUDNBSSA-N 1 2 212.312 2.606 20 30 BFEDLO Cc1ncsc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000250965964 369625316 /nfs/dbraw/zinc/62/53/16/369625316.db2.gz YVCNDCJZYGCTLU-WDEREUQCSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1ncsc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000250965964 369625318 /nfs/dbraw/zinc/62/53/18/369625318.db2.gz YVCNDCJZYGCTLU-WDEREUQCSA-N 1 2 235.356 2.576 20 30 BFEDLO CC1(C)C[NH+](Cc2cccc(F)c2C#N)C1 ZINC000602751799 369849044 /nfs/dbraw/zinc/84/90/44/369849044.db2.gz KOFVXUGSWMGLHA-UHFFFAOYSA-N 1 2 218.275 2.539 20 30 BFEDLO C=CCCC(C)(C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000620864587 370015278 /nfs/dbraw/zinc/01/52/78/370015278.db2.gz INSOBSGDCWKUMK-LBPRGKRZSA-N 1 2 249.358 2.695 20 30 BFEDLO C=C[C@H]([NH2+][C@H](C)CCC(C)(C)C)C(=O)OC ZINC000309524162 370222423 /nfs/dbraw/zinc/22/24/23/370222423.db2.gz AVTKTTARCDASRA-MNOVXSKESA-N 1 2 227.348 2.518 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000309790839 370260620 /nfs/dbraw/zinc/26/06/20/370260620.db2.gz UJFKSNBKQCQATG-BDAKNGLRSA-N 1 2 224.254 2.918 20 30 BFEDLO C[C@@H]1CCC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000209120902 370597856 /nfs/dbraw/zinc/59/78/56/370597856.db2.gz GRFWXKZUVVSXRF-OCCSQVGLSA-N 1 2 214.312 2.983 20 30 BFEDLO C[C@@H]1CCC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000209120902 370597860 /nfs/dbraw/zinc/59/78/60/370597860.db2.gz GRFWXKZUVVSXRF-OCCSQVGLSA-N 1 2 214.312 2.983 20 30 BFEDLO N#CCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000131882349 371703221 /nfs/dbraw/zinc/70/32/21/371703221.db2.gz FGUHPTVNGGJEJH-UHFFFAOYSA-N 1 2 221.210 2.618 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCSC1 ZINC000280668150 183299141 /nfs/dbraw/zinc/29/91/41/183299141.db2.gz PEOBUPDMGPELFV-XNFYSYIQSA-N 1 2 221.325 2.564 20 30 BFEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc(CCCC)no1 ZINC000181271957 134334347 /nfs/dbraw/zinc/33/43/47/134334347.db2.gz FWUMUMLGLFKRFH-LLVKDONJSA-N 1 2 237.347 2.981 20 30 BFEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(CCCC)no1 ZINC000181271957 134334348 /nfs/dbraw/zinc/33/43/48/134334348.db2.gz FWUMUMLGLFKRFH-LLVKDONJSA-N 1 2 237.347 2.981 20 30 BFEDLO CCc1ccc(C[NH2+][C@H](CC)CC#N)o1 ZINC000054183908 134387874 /nfs/dbraw/zinc/38/78/74/134387874.db2.gz LMDKWGRDMGCLJK-SNVBAGLBSA-N 1 2 206.289 2.624 20 30 BFEDLO C[N@@H+](CC#N)CC/C=C\c1ccccc1 ZINC000323766480 384085275 /nfs/dbraw/zinc/08/52/75/384085275.db2.gz YLLFENDMMPVUNV-UITAMQMPSA-N 1 2 200.285 2.545 20 30 BFEDLO C[N@H+](CC#N)CC/C=C\c1ccccc1 ZINC000323766480 384085282 /nfs/dbraw/zinc/08/52/82/384085282.db2.gz YLLFENDMMPVUNV-UITAMQMPSA-N 1 2 200.285 2.545 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)C/C=C/c1ccccc1 ZINC000063095424 134396061 /nfs/dbraw/zinc/39/60/61/134396061.db2.gz ULEWIFOAKGAANQ-YSKGHYERSA-N 1 2 214.312 2.934 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)C/C=C/c1ccccc1 ZINC000063095424 134396062 /nfs/dbraw/zinc/39/60/62/134396062.db2.gz ULEWIFOAKGAANQ-YSKGHYERSA-N 1 2 214.312 2.934 20 30 BFEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1F ZINC000093090706 384210309 /nfs/dbraw/zinc/21/03/09/384210309.db2.gz YCMYQUBMFLIEMA-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1F ZINC000093090706 384210314 /nfs/dbraw/zinc/21/03/14/384210314.db2.gz YCMYQUBMFLIEMA-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000335291749 384273479 /nfs/dbraw/zinc/27/34/79/384273479.db2.gz UEKBIANSBHHONI-UHFFFAOYSA-N 1 2 238.290 2.976 20 30 BFEDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)o1)C2 ZINC000335291749 384273487 /nfs/dbraw/zinc/27/34/87/384273487.db2.gz UEKBIANSBHHONI-UHFFFAOYSA-N 1 2 238.290 2.976 20 30 BFEDLO C[N@H+](Cc1ccco1)Cc1cc(F)ccc1C#N ZINC000158049536 384290097 /nfs/dbraw/zinc/29/00/97/384290097.db2.gz DOHVNTREQQBHDE-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C[N@@H+](Cc1ccco1)Cc1cc(F)ccc1C#N ZINC000158049536 384290103 /nfs/dbraw/zinc/29/01/03/384290103.db2.gz DOHVNTREQQBHDE-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)CCS1 ZINC000335511910 384296369 /nfs/dbraw/zinc/29/63/69/384296369.db2.gz OSDVOEILHJNEOZ-GFCCVEGCSA-N 1 2 247.367 2.594 20 30 BFEDLO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC#N ZINC000075885910 384344648 /nfs/dbraw/zinc/34/46/48/384344648.db2.gz ILEJJZZZEJANKT-AWEZNQCLSA-N 1 2 216.328 2.772 20 30 BFEDLO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC#N ZINC000075885910 384344649 /nfs/dbraw/zinc/34/46/49/384344649.db2.gz ILEJJZZZEJANKT-AWEZNQCLSA-N 1 2 216.328 2.772 20 30 BFEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000299710333 384344685 /nfs/dbraw/zinc/34/46/85/384344685.db2.gz QFOAVWXHSCMGIR-JTQLQIEISA-N 1 2 210.708 2.827 20 30 BFEDLO C=C(Cl)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000299710333 384344687 /nfs/dbraw/zinc/34/46/87/384344687.db2.gz QFOAVWXHSCMGIR-JTQLQIEISA-N 1 2 210.708 2.827 20 30 BFEDLO CSc1ccc(N[C@H]2CC[C@H](C#N)C2)[nH+]c1 ZINC000335620230 384398188 /nfs/dbraw/zinc/39/81/88/384398188.db2.gz UEUBLFBMRBDLCQ-UWVGGRQHSA-N 1 2 233.340 2.908 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000046437796 384427290 /nfs/dbraw/zinc/42/72/90/384427290.db2.gz DGBXNGQFUDTNEG-UHFFFAOYSA-N 1 2 240.253 2.633 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000046437796 384427295 /nfs/dbraw/zinc/42/72/95/384427295.db2.gz DGBXNGQFUDTNEG-UHFFFAOYSA-N 1 2 240.253 2.633 20 30 BFEDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000160167788 384391034 /nfs/dbraw/zinc/39/10/34/384391034.db2.gz RIMAZAQXZZLESJ-CYBMUJFWSA-N 1 2 244.338 2.802 20 30 BFEDLO Cc1ccc(C(=O)CC[N@H+](C)[C@H](C)CC#N)cc1 ZINC000160167788 384391038 /nfs/dbraw/zinc/39/10/38/384391038.db2.gz RIMAZAQXZZLESJ-CYBMUJFWSA-N 1 2 244.338 2.802 20 30 BFEDLO CC#CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000119414937 384437622 /nfs/dbraw/zinc/43/76/22/384437622.db2.gz ZRFVCNOZGXHFAT-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000119414937 384437628 /nfs/dbraw/zinc/43/76/28/384437628.db2.gz ZRFVCNOZGXHFAT-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO N#CC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000079840041 384516961 /nfs/dbraw/zinc/51/69/61/384516961.db2.gz MDHPESBZULLIDL-UHFFFAOYSA-N 1 2 236.265 2.700 20 30 BFEDLO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C#N ZINC000080480949 384558077 /nfs/dbraw/zinc/55/80/77/384558077.db2.gz XNLFYRALDCDVMJ-FZMZJTMJSA-N 1 2 234.318 2.894 20 30 BFEDLO COc1ccc(C)cc1[C@@H](C)[NH2+]CCC#N ZINC000020199884 384596742 /nfs/dbraw/zinc/59/67/42/384596742.db2.gz FUZSHCHFSCODCG-LLVKDONJSA-N 1 2 218.300 2.568 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(F)c1F ZINC000082522982 384690194 /nfs/dbraw/zinc/69/01/94/384690194.db2.gz FLYQUHOGKCDNBC-JTQLQIEISA-N 1 2 224.254 2.747 20 30 BFEDLO C[N@H+](CCC#N)[C@H]1CCc2ccc(F)cc21 ZINC000083217556 384750860 /nfs/dbraw/zinc/75/08/60/384750860.db2.gz HLHZLGAYNZGTDY-ZDUSSCGKSA-N 1 2 218.275 2.658 20 30 BFEDLO C[N@@H+](CCC#N)[C@H]1CCc2ccc(F)cc21 ZINC000083217556 384750868 /nfs/dbraw/zinc/75/08/68/384750868.db2.gz HLHZLGAYNZGTDY-ZDUSSCGKSA-N 1 2 218.275 2.658 20 30 BFEDLO C=C(C)CCSc1nc(N)cc(CC)[nH+]1 ZINC000279057541 384770662 /nfs/dbraw/zinc/77/06/62/384770662.db2.gz IDVNMBIRBOUMAT-UHFFFAOYSA-N 1 2 223.345 2.680 20 30 BFEDLO C[N@H+](CCC(C)(C)C#N)Cc1cscn1 ZINC000087595464 384813078 /nfs/dbraw/zinc/81/30/78/384813078.db2.gz KMFNKQXQIMPVHS-UHFFFAOYSA-N 1 2 223.345 2.515 20 30 BFEDLO C[N@@H+](CCC(C)(C)C#N)Cc1cscn1 ZINC000087595464 384813085 /nfs/dbraw/zinc/81/30/85/384813085.db2.gz KMFNKQXQIMPVHS-UHFFFAOYSA-N 1 2 223.345 2.515 20 30 BFEDLO N#CC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000175417357 384907914 /nfs/dbraw/zinc/90/79/14/384907914.db2.gz ZYNZMLBPMWMAEK-UHFFFAOYSA-N 1 2 241.747 2.532 20 30 BFEDLO CCCn1nc(C)c(C[N@H+](CC)CCC#N)c1C ZINC000127589200 384918816 /nfs/dbraw/zinc/91/88/16/384918816.db2.gz SFHMEGPQZNAAQQ-UHFFFAOYSA-N 1 2 248.374 2.646 20 30 BFEDLO CCCn1nc(C)c(C[N@@H+](CC)CCC#N)c1C ZINC000127589200 384918822 /nfs/dbraw/zinc/91/88/22/384918822.db2.gz SFHMEGPQZNAAQQ-UHFFFAOYSA-N 1 2 248.374 2.646 20 30 BFEDLO Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(C)s1 ZINC000336145094 384923399 /nfs/dbraw/zinc/92/33/99/384923399.db2.gz UQAOIPOSDFLYHG-GHMZBOCLSA-N 1 2 235.356 2.542 20 30 BFEDLO C=CCOc1cccc(C[N@H+](CC)CCC#N)c1 ZINC000127614266 384923778 /nfs/dbraw/zinc/92/37/78/384923778.db2.gz NVFRAYWGIXDYIS-UHFFFAOYSA-N 1 2 244.338 2.987 20 30 BFEDLO C=CCOc1cccc(C[N@@H+](CC)CCC#N)c1 ZINC000127614266 384923782 /nfs/dbraw/zinc/92/37/82/384923782.db2.gz NVFRAYWGIXDYIS-UHFFFAOYSA-N 1 2 244.338 2.987 20 30 BFEDLO Cc1c[nH+]ccc1NC(=O)C1(C#N)CCCCC1 ZINC000107038731 384946723 /nfs/dbraw/zinc/94/67/23/384946723.db2.gz SDHLAXXNSDFYES-UHFFFAOYSA-N 1 2 243.310 2.803 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000127989280 384974544 /nfs/dbraw/zinc/97/45/44/384974544.db2.gz DIVWPPYKZRDPGC-VIFPVBQESA-N 1 2 224.254 2.556 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000127989280 384974549 /nfs/dbraw/zinc/97/45/49/384974549.db2.gz DIVWPPYKZRDPGC-VIFPVBQESA-N 1 2 224.254 2.556 20 30 BFEDLO C#C[C@@H](C)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000491181817 385063800 /nfs/dbraw/zinc/06/38/00/385063800.db2.gz WCXVSNBWFZHQSA-MRVPVSSYSA-N 1 2 228.217 2.558 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(Cl)c1O ZINC000165161928 385077191 /nfs/dbraw/zinc/07/71/91/385077191.db2.gz SEFWUIOECVZEQF-SNVBAGLBSA-N 1 2 238.718 2.827 20 30 BFEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CCC#N)CCC2 ZINC000152535055 385191613 /nfs/dbraw/zinc/19/16/13/385191613.db2.gz CRVHPLSQXZTJKH-NSHDSACASA-N 1 2 249.383 2.928 20 30 BFEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC#N)CCC2 ZINC000152535055 385191620 /nfs/dbraw/zinc/19/16/20/385191620.db2.gz CRVHPLSQXZTJKH-NSHDSACASA-N 1 2 249.383 2.928 20 30 BFEDLO N#CCC[N@@H+](Cc1cncc(Cl)c1)CC1CC1 ZINC000598596969 385622486 /nfs/dbraw/zinc/62/24/86/385622486.db2.gz VCLBDSRFEOOIKU-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CCC[N@H+](Cc1cncc(Cl)c1)CC1CC1 ZINC000598596969 385622491 /nfs/dbraw/zinc/62/24/91/385622491.db2.gz VCLBDSRFEOOIKU-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO CCC(CC)C[N@H+](CCC#N)CC1(C#N)CC1 ZINC000347488539 386441155 /nfs/dbraw/zinc/44/11/55/386441155.db2.gz SVJIDHQOQBNHTL-UHFFFAOYSA-N 1 2 233.359 2.942 20 30 BFEDLO CCC(CC)C[N@@H+](CCC#N)CC1(C#N)CC1 ZINC000347488539 386441159 /nfs/dbraw/zinc/44/11/59/386441159.db2.gz SVJIDHQOQBNHTL-UHFFFAOYSA-N 1 2 233.359 2.942 20 30 BFEDLO C=CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000519407668 386434563 /nfs/dbraw/zinc/43/45/63/386434563.db2.gz USPBWRBDYLPUSC-STQMWFEESA-N 1 2 249.358 2.695 20 30 BFEDLO Cc1[nH+]c[nH]c1CNC(=O)C1=C(C)CCC1 ZINC000328603009 386608069 /nfs/dbraw/zinc/60/80/69/386608069.db2.gz HKACFWIZXJYCQI-UHFFFAOYSA-N 1 2 219.288 2.675 20 30 BFEDLO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CC#N ZINC000335545060 386729346 /nfs/dbraw/zinc/72/93/46/386729346.db2.gz RRABZSHMPCLMJN-AWEZNQCLSA-N 1 2 232.302 2.746 20 30 BFEDLO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CC#N ZINC000335545060 386729351 /nfs/dbraw/zinc/72/93/51/386729351.db2.gz RRABZSHMPCLMJN-AWEZNQCLSA-N 1 2 232.302 2.746 20 30 BFEDLO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CC#N ZINC000335545061 386730060 /nfs/dbraw/zinc/73/00/60/386730060.db2.gz RRABZSHMPCLMJN-CQSZACIVSA-N 1 2 232.302 2.746 20 30 BFEDLO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CC#N ZINC000335545061 386730064 /nfs/dbraw/zinc/73/00/64/386730064.db2.gz RRABZSHMPCLMJN-CQSZACIVSA-N 1 2 232.302 2.746 20 30 BFEDLO Cc1ccc(C)c(C[NH+]2CC(C)(C#N)C2)c1 ZINC000280706890 386838235 /nfs/dbraw/zinc/83/82/35/386838235.db2.gz AZWNWKGYNCQVMJ-UHFFFAOYSA-N 1 2 214.312 2.649 20 30 BFEDLO C=CC[N@@H+](Cc1ccn(C)n1)Cc1cccs1 ZINC000349542190 386860986 /nfs/dbraw/zinc/86/09/86/386860986.db2.gz LJJKLGCQLAMNCR-UHFFFAOYSA-N 1 2 247.367 2.670 20 30 BFEDLO C=CC[N@H+](Cc1ccn(C)n1)Cc1cccs1 ZINC000349542190 386860989 /nfs/dbraw/zinc/86/09/89/386860989.db2.gz LJJKLGCQLAMNCR-UHFFFAOYSA-N 1 2 247.367 2.670 20 30 BFEDLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cs1 ZINC000335749848 386875466 /nfs/dbraw/zinc/87/54/66/386875466.db2.gz BLEPELMSQMOWTJ-CMPLNLGQSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)cs1 ZINC000335749848 386875469 /nfs/dbraw/zinc/87/54/69/386875469.db2.gz BLEPELMSQMOWTJ-CMPLNLGQSA-N 1 2 235.356 2.576 20 30 BFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@@H]1C ZINC000334919080 386995423 /nfs/dbraw/zinc/99/54/23/386995423.db2.gz CLPHVRPZYJYULR-NXEZZACHSA-N 1 2 218.275 2.538 20 30 BFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]1C ZINC000334919080 386995426 /nfs/dbraw/zinc/99/54/26/386995426.db2.gz CLPHVRPZYJYULR-NXEZZACHSA-N 1 2 218.275 2.538 20 30 BFEDLO CCC(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000399607925 387038297 /nfs/dbraw/zinc/03/82/97/387038297.db2.gz VOGDKLZQTIKVGZ-UHFFFAOYSA-N 1 2 217.316 2.532 20 30 BFEDLO C=CCCCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000359163629 387062300 /nfs/dbraw/zinc/06/23/00/387062300.db2.gz GTSDUZTXKGKSNO-UHFFFAOYSA-N 1 2 243.310 2.938 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186662608 387119817 /nfs/dbraw/zinc/11/98/17/387119817.db2.gz KPPXJPBCDPXCRJ-AWEZNQCLSA-N 1 2 249.741 2.870 20 30 BFEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186662608 387119820 /nfs/dbraw/zinc/11/98/20/387119820.db2.gz KPPXJPBCDPXCRJ-AWEZNQCLSA-N 1 2 249.741 2.870 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000271166098 387440628 /nfs/dbraw/zinc/44/06/28/387440628.db2.gz ZIFDCKXPXYPFRF-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO C#CC[N@H+](CC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000271166098 387440634 /nfs/dbraw/zinc/44/06/34/387440634.db2.gz ZIFDCKXPXYPFRF-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO C#CC[N@@H+](CC)Cc1c[nH]c(-c2ccccc2)n1 ZINC000271166098 387440638 /nfs/dbraw/zinc/44/06/38/387440638.db2.gz ZIFDCKXPXYPFRF-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO C#CC[N@H+](CC)Cc1c[nH]c(-c2ccccc2)n1 ZINC000271166098 387440643 /nfs/dbraw/zinc/44/06/43/387440643.db2.gz ZIFDCKXPXYPFRF-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO C=CCSCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265340723 387394349 /nfs/dbraw/zinc/39/43/49/387394349.db2.gz IOENDKWHLRPTKO-UHFFFAOYSA-N 1 2 249.383 2.994 20 30 BFEDLO C=C(Cl)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000268039545 387412687 /nfs/dbraw/zinc/41/26/87/387412687.db2.gz SEWRDAMDZYDLSS-UHFFFAOYSA-N 1 2 239.706 2.572 20 30 BFEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@H]1C ZINC000292863429 387504647 /nfs/dbraw/zinc/50/46/47/387504647.db2.gz AMULONTXAUAIIT-ZJUUUORDSA-N 1 2 218.275 2.538 20 30 BFEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@H]1C ZINC000292863429 387504652 /nfs/dbraw/zinc/50/46/52/387504652.db2.gz AMULONTXAUAIIT-ZJUUUORDSA-N 1 2 218.275 2.538 20 30 BFEDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)o1 ZINC000352840291 387514920 /nfs/dbraw/zinc/51/49/20/387514920.db2.gz NAFPFWDENWNFIO-SECBINFHSA-N 1 2 247.323 2.767 20 30 BFEDLO CC[C@]1(C)C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000276891972 387525396 /nfs/dbraw/zinc/52/53/96/387525396.db2.gz BZFFLRDUFCOPJV-MRXNPFEDSA-N 1 2 243.350 2.539 20 30 BFEDLO CC[C@]1(C)C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000276891972 387525401 /nfs/dbraw/zinc/52/54/01/387525401.db2.gz BZFFLRDUFCOPJV-MRXNPFEDSA-N 1 2 243.350 2.539 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000274354640 387471666 /nfs/dbraw/zinc/47/16/66/387471666.db2.gz PZBLSRMIJFUKKQ-LLVKDONJSA-N 1 2 243.310 2.875 20 30 BFEDLO N#CC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527867436 387740998 /nfs/dbraw/zinc/74/09/98/387740998.db2.gz TXDBXCYAGXZFOO-UHFFFAOYSA-N 1 2 237.306 2.975 20 30 BFEDLO Cc1cncc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000442673366 387819756 /nfs/dbraw/zinc/81/97/56/387819756.db2.gz RFRDXZKAINTZQL-LBPRGKRZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cncc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000442673366 387819760 /nfs/dbraw/zinc/81/97/60/387819760.db2.gz RFRDXZKAINTZQL-LBPRGKRZSA-N 1 2 229.327 2.514 20 30 BFEDLO COc1ccc[nH+]c1N[C@H]1CC[C@@H](CC#N)C1 ZINC000528028805 387832416 /nfs/dbraw/zinc/83/24/16/387832416.db2.gz CPBCEEPKLCNGPW-QWRGUYRKSA-N 1 2 231.299 2.584 20 30 BFEDLO CC1(C)CCC[N@H+](CCCCC#N)[C@@H]1C#N ZINC000444724660 387917219 /nfs/dbraw/zinc/91/72/19/387917219.db2.gz ZSIFBXIKIWJSDL-GFCCVEGCSA-N 1 2 219.332 2.694 20 30 BFEDLO CC1(C)CCC[N@@H+](CCCCC#N)[C@@H]1C#N ZINC000444724660 387917222 /nfs/dbraw/zinc/91/72/22/387917222.db2.gz ZSIFBXIKIWJSDL-GFCCVEGCSA-N 1 2 219.332 2.694 20 30 BFEDLO C=CC[N@H+](Cc1ccno1)Cc1cccs1 ZINC000533215464 388024957 /nfs/dbraw/zinc/02/49/57/388024957.db2.gz VRRBNVBZBNHGRO-UHFFFAOYSA-N 1 2 234.324 2.924 20 30 BFEDLO C=CC[N@@H+](Cc1ccno1)Cc1cccs1 ZINC000533215464 388024961 /nfs/dbraw/zinc/02/49/61/388024961.db2.gz VRRBNVBZBNHGRO-UHFFFAOYSA-N 1 2 234.324 2.924 20 30 BFEDLO CC[C@@H]1CCC[C@@H](C[N@@H+](CC#N)CCOC)C1 ZINC000453594734 388088342 /nfs/dbraw/zinc/08/83/42/388088342.db2.gz FPYNQGYRCCEBPG-ZIAGYGMSSA-N 1 2 238.375 2.675 20 30 BFEDLO CC[C@@H]1CCC[C@@H](C[N@H+](CC#N)CCOC)C1 ZINC000453594734 388088345 /nfs/dbraw/zinc/08/83/45/388088345.db2.gz FPYNQGYRCCEBPG-ZIAGYGMSSA-N 1 2 238.375 2.675 20 30 BFEDLO COc1cc(C)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000449013406 388129990 /nfs/dbraw/zinc/12/99/90/388129990.db2.gz CKRGWMVWZPICJJ-LBPRGKRZSA-N 1 2 232.327 2.595 20 30 BFEDLO COc1cc(C)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000449013406 388129992 /nfs/dbraw/zinc/12/99/92/388129992.db2.gz CKRGWMVWZPICJJ-LBPRGKRZSA-N 1 2 232.327 2.595 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000590765355 388130365 /nfs/dbraw/zinc/13/03/65/388130365.db2.gz OFIGTKYEFVEQLQ-XQHKEYJVSA-N 1 2 239.359 2.518 20 30 BFEDLO CC#CC[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646063721 388134870 /nfs/dbraw/zinc/13/48/70/388134870.db2.gz ZIMZXEIPJACVBW-DOMZBBRYSA-N 1 2 247.313 2.611 20 30 BFEDLO CC#CC[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646063721 388134873 /nfs/dbraw/zinc/13/48/73/388134873.db2.gz ZIMZXEIPJACVBW-DOMZBBRYSA-N 1 2 247.313 2.611 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000489446868 388214603 /nfs/dbraw/zinc/21/46/03/388214603.db2.gz OZEVKGSCFLGVGB-LLVKDONJSA-N 1 2 235.331 2.734 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000489446868 388214605 /nfs/dbraw/zinc/21/46/05/388214605.db2.gz OZEVKGSCFLGVGB-LLVKDONJSA-N 1 2 235.331 2.734 20 30 BFEDLO C[N@H+](Cc1ccccn1)Cc1ccccc1C#N ZINC000036777551 388259984 /nfs/dbraw/zinc/25/99/84/388259984.db2.gz XFPXHRFYXXBSJI-UHFFFAOYSA-N 1 2 237.306 2.585 20 30 BFEDLO C[N@@H+](Cc1ccccn1)Cc1ccccc1C#N ZINC000036777551 388259987 /nfs/dbraw/zinc/25/99/87/388259987.db2.gz XFPXHRFYXXBSJI-UHFFFAOYSA-N 1 2 237.306 2.585 20 30 BFEDLO C#CC[N@@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000491362908 388288770 /nfs/dbraw/zinc/28/87/70/388288770.db2.gz VVQVKNIZKRDHAX-UHFFFAOYSA-N 1 2 246.335 2.777 20 30 BFEDLO C#CC[N@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000491362908 388288771 /nfs/dbraw/zinc/28/87/71/388288771.db2.gz VVQVKNIZKRDHAX-UHFFFAOYSA-N 1 2 246.335 2.777 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CCCC)n1 ZINC000491465697 388296615 /nfs/dbraw/zinc/29/66/15/388296615.db2.gz XHQFAIKSQANXBU-NSHDSACASA-N 1 2 236.384 2.939 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CCCC)n1 ZINC000491465697 388296617 /nfs/dbraw/zinc/29/66/17/388296617.db2.gz XHQFAIKSQANXBU-NSHDSACASA-N 1 2 236.384 2.939 20 30 BFEDLO C#C[C@@H](CC)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491622148 388305641 /nfs/dbraw/zinc/30/56/41/388305641.db2.gz IXRJNGPREOOTBR-LBPRGKRZSA-N 1 2 245.326 2.540 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000491653081 388308122 /nfs/dbraw/zinc/30/81/22/388308122.db2.gz CIJSDWVQAAKGQF-SNVBAGLBSA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000491653081 388308123 /nfs/dbraw/zinc/30/81/23/388308123.db2.gz CIJSDWVQAAKGQF-SNVBAGLBSA-N 1 2 246.335 2.857 20 30 BFEDLO C#CC[N@@H+](Cc1nc(CCC)cs1)C1CC1 ZINC000491746870 388317406 /nfs/dbraw/zinc/31/74/06/388317406.db2.gz RCVPDEOFFSAOKV-UHFFFAOYSA-N 1 2 234.368 2.693 20 30 BFEDLO C#CC[N@H+](Cc1nc(CCC)cs1)C1CC1 ZINC000491746870 388317407 /nfs/dbraw/zinc/31/74/07/388317407.db2.gz RCVPDEOFFSAOKV-UHFFFAOYSA-N 1 2 234.368 2.693 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000491209679 388277238 /nfs/dbraw/zinc/27/72/38/388277238.db2.gz KIHIACBWNCWGOF-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C2CC2)cs1 ZINC000491209679 388277240 /nfs/dbraw/zinc/27/72/40/388277240.db2.gz KIHIACBWNCWGOF-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1cc(Cl)ccc1F ZINC000163666750 388366298 /nfs/dbraw/zinc/36/62/98/388366298.db2.gz AFORTEYQFDKBQA-MRVPVSSYSA-N 1 2 226.682 2.728 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528557539 388546007 /nfs/dbraw/zinc/54/60/07/388546007.db2.gz ZPEMIMPWVWQURH-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000528557539 388546010 /nfs/dbraw/zinc/54/60/10/388546010.db2.gz ZPEMIMPWVWQURH-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO Cc1cnccc1CC[N@H+](CC#N)C1CCCC1 ZINC000397644940 388487120 /nfs/dbraw/zinc/48/71/20/388487120.db2.gz TXLSVSDURIDXMG-UHFFFAOYSA-N 1 2 243.354 2.701 20 30 BFEDLO Cc1cnccc1CC[N@@H+](CC#N)C1CCCC1 ZINC000397644940 388487123 /nfs/dbraw/zinc/48/71/23/388487123.db2.gz TXLSVSDURIDXMG-UHFFFAOYSA-N 1 2 243.354 2.701 20 30 BFEDLO Cc1c[nH+]ccc1CCN(CC#N)C1CCCC1 ZINC000397644940 388487126 /nfs/dbraw/zinc/48/71/26/388487126.db2.gz TXLSVSDURIDXMG-UHFFFAOYSA-N 1 2 243.354 2.701 20 30 BFEDLO CC1(C#N)CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528439149 388526094 /nfs/dbraw/zinc/52/60/94/388526094.db2.gz LQADBSBRMQZUOU-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)(F)F ZINC000404163999 388633853 /nfs/dbraw/zinc/63/38/53/388633853.db2.gz VPTGIFJDLRXQEZ-MRVPVSSYSA-N 1 2 242.244 2.831 20 30 BFEDLO C=CCC[C@H]([NH2+]Cc1cc[nH]n1)c1ccco1 ZINC000552248400 388685510 /nfs/dbraw/zinc/68/55/10/388685510.db2.gz FPWCOVBQPMTBHC-LBPRGKRZSA-N 1 2 231.299 2.800 20 30 BFEDLO C[C@@H]([NH2+]Cc1cscn1)c1cccc(C#N)c1 ZINC000111625224 388661361 /nfs/dbraw/zinc/66/13/61/388661361.db2.gz WDSJHSHZJMAWDP-SNVBAGLBSA-N 1 2 243.335 2.866 20 30 BFEDLO CC#CC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090614094 388749086 /nfs/dbraw/zinc/74/90/86/388749086.db2.gz PXNPPWICGSEDFG-UHFFFAOYSA-N 1 2 219.715 2.721 20 30 BFEDLO CC#CC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090614094 388749089 /nfs/dbraw/zinc/74/90/89/388749089.db2.gz PXNPPWICGSEDFG-UHFFFAOYSA-N 1 2 219.715 2.721 20 30 BFEDLO C=CCOc1ccc(C[N@H+](CC)CCC#N)cc1 ZINC000127585208 388727546 /nfs/dbraw/zinc/72/75/46/388727546.db2.gz CHWHTKLCRYQZKC-UHFFFAOYSA-N 1 2 244.338 2.987 20 30 BFEDLO C=CCOc1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC000127585208 388727551 /nfs/dbraw/zinc/72/75/51/388727551.db2.gz CHWHTKLCRYQZKC-UHFFFAOYSA-N 1 2 244.338 2.987 20 30 BFEDLO C[C@@H]([N@H+](C)Cc1ccc(C#N)o1)C1(C)CC1 ZINC000091900696 388732294 /nfs/dbraw/zinc/73/22/94/388732294.db2.gz JEHVSUXIZICEMS-SNVBAGLBSA-N 1 2 218.300 2.772 20 30 BFEDLO C[C@@H]([N@@H+](C)Cc1ccc(C#N)o1)C1(C)CC1 ZINC000091900696 388732297 /nfs/dbraw/zinc/73/22/97/388732297.db2.gz JEHVSUXIZICEMS-SNVBAGLBSA-N 1 2 218.300 2.772 20 30 BFEDLO Cc1oncc1C[N@H+](CCC#N)CC(C)(C)C ZINC000128693153 388785953 /nfs/dbraw/zinc/78/59/53/388785953.db2.gz CZGWIICMJXPHMW-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO Cc1oncc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000128693153 388785957 /nfs/dbraw/zinc/78/59/57/388785957.db2.gz CZGWIICMJXPHMW-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO CCC[N@H+](CC#N)[C@H](C)Cc1ccsc1 ZINC000541221845 388844119 /nfs/dbraw/zinc/84/41/19/388844119.db2.gz ZJJTWAJXPNJKKR-LLVKDONJSA-N 1 2 222.357 2.915 20 30 BFEDLO CCC[N@@H+](CC#N)[C@H](C)Cc1ccsc1 ZINC000541221845 388844125 /nfs/dbraw/zinc/84/41/25/388844125.db2.gz ZJJTWAJXPNJKKR-LLVKDONJSA-N 1 2 222.357 2.915 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000565170848 388920879 /nfs/dbraw/zinc/92/08/79/388920879.db2.gz GMALGXPNKCUCND-GFCCVEGCSA-N 1 2 246.358 2.780 20 30 BFEDLO N#CCC[NH2+][C@H](CCC#N)c1ccccc1 ZINC000565467499 388947180 /nfs/dbraw/zinc/94/71/80/388947180.db2.gz NIUIWRXVGIHMIW-CYBMUJFWSA-N 1 2 213.284 2.535 20 30 BFEDLO Cc1nc(C)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000336692863 133536689 /nfs/dbraw/zinc/53/66/89/133536689.db2.gz IVPQOYVIXHIYMB-VIFPVBQESA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nc(C)c(C[N@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000336692863 133536690 /nfs/dbraw/zinc/53/66/90/133536690.db2.gz IVPQOYVIXHIYMB-VIFPVBQESA-N 1 2 249.383 2.884 20 30 BFEDLO N#CC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000335965411 134028190 /nfs/dbraw/zinc/02/81/90/134028190.db2.gz NSGRCFXLVZRCMI-LBPRGKRZSA-N 1 2 232.302 2.919 20 30 BFEDLO N#CC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000335965411 134028191 /nfs/dbraw/zinc/02/81/91/134028191.db2.gz NSGRCFXLVZRCMI-LBPRGKRZSA-N 1 2 232.302 2.919 20 30 BFEDLO CC1(C)CCC[N@H+](C[C@@H]2CCSC2)[C@H]1C#N ZINC000336107242 134082924 /nfs/dbraw/zinc/08/29/24/134082924.db2.gz FNYXREYLUHHHMB-RYUDHWBXSA-N 1 2 238.400 2.754 20 30 BFEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCSC2)[C@H]1C#N ZINC000336107242 134082925 /nfs/dbraw/zinc/08/29/25/134082925.db2.gz FNYXREYLUHHHMB-RYUDHWBXSA-N 1 2 238.400 2.754 20 30 BFEDLO Cc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000354033454 134166278 /nfs/dbraw/zinc/16/62/78/134166278.db2.gz LKWILFFIBZSHDQ-JTQLQIEISA-N 1 2 218.300 2.712 20 30 BFEDLO Cc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000354033454 134166279 /nfs/dbraw/zinc/16/62/79/134166279.db2.gz LKWILFFIBZSHDQ-JTQLQIEISA-N 1 2 218.300 2.712 20 30 BFEDLO C=CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000357554085 134184105 /nfs/dbraw/zinc/18/41/05/134184105.db2.gz NIUXGESWBVRPDT-UHFFFAOYSA-N 1 2 238.312 2.807 20 30 BFEDLO C=CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000357554085 134184106 /nfs/dbraw/zinc/18/41/06/134184106.db2.gz NIUXGESWBVRPDT-UHFFFAOYSA-N 1 2 238.312 2.807 20 30 BFEDLO C=CC[N@H+](Cc1nc(C2CCCC2)no1)C1CC1 ZINC000357554140 134184168 /nfs/dbraw/zinc/18/41/68/134184168.db2.gz NPMHXNNDLTUATF-UHFFFAOYSA-N 1 2 247.342 2.878 20 30 BFEDLO C=CC[N@@H+](Cc1nc(C2CCCC2)no1)C1CC1 ZINC000357554140 134184169 /nfs/dbraw/zinc/18/41/69/134184169.db2.gz NPMHXNNDLTUATF-UHFFFAOYSA-N 1 2 247.342 2.878 20 30 BFEDLO N#CCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361478121 134205817 /nfs/dbraw/zinc/20/58/17/134205817.db2.gz LFUALIPFGSYSFD-CYBMUJFWSA-N 1 2 232.352 2.690 20 30 BFEDLO N#CCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361478121 134205818 /nfs/dbraw/zinc/20/58/18/134205818.db2.gz LFUALIPFGSYSFD-CYBMUJFWSA-N 1 2 232.352 2.690 20 30 BFEDLO C=CCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000373837870 134235306 /nfs/dbraw/zinc/23/53/06/134235306.db2.gz UTHDVGQYCQTPGO-LSDHHAIUSA-N 1 2 248.370 2.880 20 30 BFEDLO C=CCCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000373837870 134235307 /nfs/dbraw/zinc/23/53/07/134235307.db2.gz UTHDVGQYCQTPGO-LSDHHAIUSA-N 1 2 248.370 2.880 20 30 BFEDLO N#Cc1cccc(SCCCn2cc[nH+]c2)c1 ZINC000180438274 134327714 /nfs/dbraw/zinc/32/77/14/134327714.db2.gz LXYKBYRVCGWVIP-UHFFFAOYSA-N 1 2 243.335 2.937 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@@H](O)C1CCCCC1 ZINC000067952228 134399082 /nfs/dbraw/zinc/39/90/82/134399082.db2.gz BGTURKXMPGPOBR-VGVSSDJJSA-N 1 2 247.338 2.752 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000338377241 135034391 /nfs/dbraw/zinc/03/43/91/135034391.db2.gz FXTGDVTUKWNVGC-LLVKDONJSA-N 1 2 232.302 2.950 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000338377241 135034393 /nfs/dbraw/zinc/03/43/93/135034393.db2.gz FXTGDVTUKWNVGC-LLVKDONJSA-N 1 2 232.302 2.950 20 30 BFEDLO COc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000338376818 135034572 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/nfs/dbraw/zinc/14/11/27/585141127.db2.gz GDXGREHQWCNLLH-UHFFFAOYSA-N 1 2 241.334 2.544 20 30 BFEDLO C1CC[C@H]2[NH+]=C(N=NC3CCCCCC3)N[C@@H]2C1 ZINC000753933084 585272124 /nfs/dbraw/zinc/27/21/24/585272124.db2.gz BDSBXRGSPQJRKF-CHWSQXEVSA-N 1 2 248.374 2.557 20 30 BFEDLO C=CCCC(CC)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753940773 585272435 /nfs/dbraw/zinc/27/24/35/585272435.db2.gz VJMJGFWGJYRZFY-CHWSQXEVSA-N 1 2 248.374 2.579 20 30 BFEDLO CC(C)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000754276032 585281860 /nfs/dbraw/zinc/28/18/60/585281860.db2.gz JVABLRWQSMIOCP-UHFFFAOYSA-N 1 2 226.707 2.633 20 30 BFEDLO C=CCO[NH+]=C(N)c1cccc2ccccc21 ZINC000754779188 585290699 /nfs/dbraw/zinc/29/06/99/585290699.db2.gz PVRDSBMAQYUZFZ-UHFFFAOYSA-N 1 2 226.279 2.872 20 30 BFEDLO C#CC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC000756954278 585325471 /nfs/dbraw/zinc/32/54/71/585325471.db2.gz WBEZOQIDALGGBF-CQSZACIVSA-N 1 2 237.306 2.962 20 30 BFEDLO CCc1noc(C)c1C[N@H+](CCC#N)CC(C)C ZINC000757842595 585345851 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/nfs/dbraw/zinc/94/45/28/585944528.db2.gz CUCQBBAZFLTDDP-LLVKDONJSA-N 1 2 228.336 2.634 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1ccsc1Cl ZINC000790300264 585962847 /nfs/dbraw/zinc/96/28/47/585962847.db2.gz QFSZOMIXZVFRKI-UHFFFAOYSA-N 1 2 240.719 2.581 20 30 BFEDLO C=C(Cl)C[N@@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000792375118 586000512 /nfs/dbraw/zinc/00/05/12/586000512.db2.gz GINXZOGTRKZWQI-NSHDSACASA-N 1 2 247.766 2.793 20 30 BFEDLO C=C(Cl)C[N@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000792375118 586000513 /nfs/dbraw/zinc/00/05/13/586000513.db2.gz GINXZOGTRKZWQI-NSHDSACASA-N 1 2 247.766 2.793 20 30 BFEDLO CC[C@@H](C)CON=C(C)c1cn(C)c(C)[nH+]1 ZINC000793144510 586011564 /nfs/dbraw/zinc/01/15/64/586011564.db2.gz DHDYSLYOSNTCPF-SECBINFHSA-N 1 2 223.320 2.515 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\[C@@H]2CC[C@H]2C)c1 ZINC000794675396 586046467 /nfs/dbraw/zinc/04/64/67/586046467.db2.gz AEQXENMQCYJDAV-WDMMMDRRSA-N 1 2 219.284 2.618 20 30 BFEDLO C[C@@H]1CSC[C@@H]1/[NH+]=C\c1ccccc1O ZINC000794677801 586046669 /nfs/dbraw/zinc/04/66/69/586046669.db2.gz YNZFTBISMRGEJI-LWIHRWIPSA-N 1 2 221.325 2.563 20 30 BFEDLO COc1ccc([NH2+][C@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000799721221 586194784 /nfs/dbraw/zinc/19/47/84/586194784.db2.gz WXUKKKWJDBEPMQ-QWRGUYRKSA-N 1 2 246.310 2.808 20 30 BFEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1cn(C)c[nH+]1)C2 ZINC000800793812 586228174 /nfs/dbraw/zinc/22/81/74/586228174.db2.gz QKEKDXSCEVEOSW-GHXNOFRVSA-N 1 2 238.290 2.551 20 30 BFEDLO Cc1ccsc1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000800792622 586229014 /nfs/dbraw/zinc/22/90/14/586229014.db2.gz CAIGGRMNTJLHMF-ARJAWSKDSA-N 1 2 232.308 2.686 20 30 BFEDLO Cn1c[nH+]c(/C=C2/CCc3sccc3C2=O)c1 ZINC000800794086 586229344 /nfs/dbraw/zinc/22/93/44/586229344.db2.gz VRAGUTVDILRVJQ-TWGQIWQCSA-N 1 2 244.319 2.694 20 30 BFEDLO Cc1cc(C(=O)/C=C/c2cn(C)c[nH+]2)c(C)s1 ZINC000800792772 586229383 /nfs/dbraw/zinc/22/93/83/586229383.db2.gz XVDLRXXXMMHCFB-SNAWJCMRSA-N 1 2 246.335 2.995 20 30 BFEDLO Cn1c[nH+]c(/C=C2\CCCC(C)(C)C2=O)c1 ZINC000800794742 586229560 /nfs/dbraw/zinc/22/95/60/586229560.db2.gz OZLLGTKVGCWABH-JXMROGBWSA-N 1 2 218.300 2.583 20 30 BFEDLO CC(=NNc1cccc(F)c1)c1cn(C)c(C)[nH+]1 ZINC000800811182 586230649 /nfs/dbraw/zinc/23/06/49/586230649.db2.gz KOMCVIAKCOAMFQ-UHFFFAOYSA-N 1 2 246.289 2.704 20 30 BFEDLO Oc1cccc(/C=[NH+]\CCC2(F)CCC2)c1O ZINC000806550281 586414018 /nfs/dbraw/zinc/41/40/18/586414018.db2.gz KGYUGIQEFWKUJW-DHDCSXOGSA-N 1 2 237.274 2.799 20 30 BFEDLO COc1cccc(O)c1/C=[NH+]\CCC(C)C ZINC000812389816 586575201 /nfs/dbraw/zinc/57/52/01/586575201.db2.gz PIRIUNGCORIUPI-ZROIWOOFSA-N 1 2 221.300 2.866 20 30 BFEDLO CC(=NO[C@@H]1CCCCO1)c1ccc(C)[nH+]c1C ZINC000814887225 586642858 /nfs/dbraw/zinc/64/28/58/586642858.db2.gz JTQKTYSXWLHJKI-CQSZACIVSA-N 1 2 248.326 2.966 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000815295610 586677913 /nfs/dbraw/zinc/67/79/13/586677913.db2.gz KGERDKQHSBOCQR-GFCCVEGCSA-N 1 2 229.751 2.630 20 30 BFEDLO C=C(Cl)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000815295610 586677914 /nfs/dbraw/zinc/67/79/14/586677914.db2.gz KGERDKQHSBOCQR-GFCCVEGCSA-N 1 2 229.751 2.630 20 30 BFEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)c(C)o1 ZINC000816631686 586746063 /nfs/dbraw/zinc/74/60/63/586746063.db2.gz ABMGPQVFRKSZDW-UHFFFAOYSA-N 1 2 220.316 2.878 20 30 BFEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)c(C)o1 ZINC000816631686 586746064 /nfs/dbraw/zinc/74/60/64/586746064.db2.gz ABMGPQVFRKSZDW-UHFFFAOYSA-N 1 2 220.316 2.878 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NN[C@H]1CCCC1(C)C ZINC000819809848 586996402 /nfs/dbraw/zinc/99/64/02/586996402.db2.gz PGAVKOSBJNSFKX-ZDUSSCGKSA-N 1 2 248.374 2.966 20 30 BFEDLO C=C[C@H](CC)CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000821309325 587106492 /nfs/dbraw/zinc/10/64/92/587106492.db2.gz RKFWFZLMPBEDCU-VXGBXAGGSA-N 1 2 249.358 2.683 20 30 BFEDLO CCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824845740 587289963 /nfs/dbraw/zinc/28/99/63/587289963.db2.gz UZCVJRFNLZKTJQ-VXGBXAGGSA-N 1 2 249.358 2.600 20 30 BFEDLO CCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824845740 587289965 /nfs/dbraw/zinc/28/99/65/587289965.db2.gz UZCVJRFNLZKTJQ-VXGBXAGGSA-N 1 2 249.358 2.600 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827641305 587394012 /nfs/dbraw/zinc/39/40/12/587394012.db2.gz MYDJDNZEULIYHM-RKDXNWHRSA-N 1 2 235.158 2.662 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827641305 587394013 /nfs/dbraw/zinc/39/40/13/587394013.db2.gz MYDJDNZEULIYHM-RKDXNWHRSA-N 1 2 235.158 2.662 20 30 BFEDLO CC(C)CC(=O)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000828217961 587424608 /nfs/dbraw/zinc/42/46/08/587424608.db2.gz TYGKQQWVFVHSFP-AWEZNQCLSA-N 1 2 236.359 2.617 20 30 BFEDLO CC(C)CC(=O)CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000828217961 587424609 /nfs/dbraw/zinc/42/46/09/587424609.db2.gz TYGKQQWVFVHSFP-AWEZNQCLSA-N 1 2 236.359 2.617 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccco1 ZINC000828812111 587462394 /nfs/dbraw/zinc/46/23/94/587462394.db2.gz RBGYOFQEHXTUCR-JTQLQIEISA-N 1 2 204.273 2.624 20 30 BFEDLO C#CC[C@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000829785343 587516586 /nfs/dbraw/zinc/51/65/86/587516586.db2.gz UMHMQVHPIXSZKJ-VIFPVBQESA-N 1 2 237.240 2.622 20 30 BFEDLO C#CC[C@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000829785343 587516587 /nfs/dbraw/zinc/51/65/87/587516587.db2.gz UMHMQVHPIXSZKJ-VIFPVBQESA-N 1 2 237.240 2.622 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](CCO)c1ccccc1F ZINC000830350636 587547301 /nfs/dbraw/zinc/54/73/01/587547301.db2.gz FARZPSSGQOENDT-LBPRGKRZSA-N 1 2 243.709 2.591 20 30 BFEDLO Cc1ccc(NC(=O)C#CC(C)(C)C)c(C)[nH+]1 ZINC000837463603 587874995 /nfs/dbraw/zinc/87/49/95/587874995.db2.gz LQVLFVAFEILWTN-UHFFFAOYSA-N 1 2 230.311 2.686 20 30 BFEDLO Oc1ccccc1/C=[NH+]\[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709153 587917528 /nfs/dbraw/zinc/91/75/28/587917528.db2.gz BGPCORKGWCRGOB-XZSLLDGLSA-N 1 2 215.296 3.000 20 30 BFEDLO CC(NNc1[nH+]cncc1Cl)=C1CC1(F)F ZINC000841637146 587964289 /nfs/dbraw/zinc/96/42/89/587964289.db2.gz GTZRPZFCLLEAQT-ZCFIWIBFSA-N 1 2 246.648 2.573 20 30 BFEDLO C=C[C@@H](C)O[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000844620927 588209595 /nfs/dbraw/zinc/20/95/95/588209595.db2.gz RYSLZQMTHVNOSF-SSDOTTSWSA-N 1 2 240.253 2.862 20 30 BFEDLO C=CC(C)(C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845583361 588234150 /nfs/dbraw/zinc/23/41/50/588234150.db2.gz CPRXHSRZJRSUQB-LLVKDONJSA-N 1 2 236.315 2.590 20 30 BFEDLO Oc1cccc(/C=[NH+]\CCCC2CC2)c1O ZINC000846757491 588286234 /nfs/dbraw/zinc/28/62/34/588286234.db2.gz ZHPLEMWKMWXVOX-ZROIWOOFSA-N 1 2 219.284 2.707 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000846920890 588296830 /nfs/dbraw/zinc/29/68/30/588296830.db2.gz LSJYXCDTENRMGI-UHFFFAOYSA-N 1 2 234.730 2.923 20 30 BFEDLO C=C(Cl)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000846920890 588296831 /nfs/dbraw/zinc/29/68/31/588296831.db2.gz LSJYXCDTENRMGI-UHFFFAOYSA-N 1 2 234.730 2.923 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000847020930 588302798 /nfs/dbraw/zinc/30/27/98/588302798.db2.gz GRKOOBYLXKPQCY-SECBINFHSA-N 1 2 240.759 2.642 20 30 BFEDLO C#C[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000847020930 588302799 /nfs/dbraw/zinc/30/27/99/588302799.db2.gz GRKOOBYLXKPQCY-SECBINFHSA-N 1 2 240.759 2.642 20 30 BFEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000847025902 588303744 /nfs/dbraw/zinc/30/37/44/588303744.db2.gz XHEYSOIWKVTYNH-NEPJUHHUSA-N 1 2 247.342 2.599 20 30 BFEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000847025902 588303745 /nfs/dbraw/zinc/30/37/45/588303745.db2.gz XHEYSOIWKVTYNH-NEPJUHHUSA-N 1 2 247.342 2.599 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000847025914 588303875 /nfs/dbraw/zinc/30/38/75/588303875.db2.gz XHEYSOIWKVTYNH-VXGBXAGGSA-N 1 2 247.342 2.599 20 30 BFEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000847025914 588303876 /nfs/dbraw/zinc/30/38/76/588303876.db2.gz XHEYSOIWKVTYNH-VXGBXAGGSA-N 1 2 247.342 2.599 20 30 BFEDLO C#CCCC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000847869448 588339918 /nfs/dbraw/zinc/33/99/18/588339918.db2.gz ZBUFTYJFHHELLI-OLZOCXBDSA-N 1 2 248.326 2.569 20 30 BFEDLO C[C@H]1CCCCCC1=NNCCCn1cc[nH+]c1 ZINC000848416413 588380900 /nfs/dbraw/zinc/38/09/00/588380900.db2.gz KMONNFUDDLPNLU-ZDUSSCGKSA-N 1 2 248.374 2.819 20 30 BFEDLO CC(C)(C)[C@H]1CCC1=NNCCCn1cc[nH+]c1 ZINC000848417403 588381657 /nfs/dbraw/zinc/38/16/57/588381657.db2.gz YGZXZTZKRBDGKD-LBPRGKRZSA-N 1 2 248.374 2.675 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)n1C ZINC000848906837 588419423 /nfs/dbraw/zinc/41/94/23/588419423.db2.gz DEEGOEAWAUXJJW-SNVBAGLBSA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)n1C ZINC000848906837 588419424 /nfs/dbraw/zinc/41/94/24/588419424.db2.gz DEEGOEAWAUXJJW-SNVBAGLBSA-N 1 2 239.750 2.614 20 30 BFEDLO C=CC[N@@H+](CC(=O)OCC)Cc1ccccc1C ZINC000110054601 588609738 /nfs/dbraw/zinc/60/97/38/588609738.db2.gz GAFXYSSQSXELDO-UHFFFAOYSA-N 1 2 247.338 2.546 20 30 BFEDLO C=CC[N@H+](CC(=O)OCC)Cc1ccccc1C ZINC000110054601 588609739 /nfs/dbraw/zinc/60/97/39/588609739.db2.gz GAFXYSSQSXELDO-UHFFFAOYSA-N 1 2 247.338 2.546 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1cccc(OC)c1Cl ZINC000851989218 588652409 /nfs/dbraw/zinc/65/24/09/588652409.db2.gz HPMHQZVHTFJOLY-JTQLQIEISA-N 1 2 237.730 2.802 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1cccc(OC)c1Cl ZINC000851989218 588652410 /nfs/dbraw/zinc/65/24/10/588652410.db2.gz HPMHQZVHTFJOLY-JTQLQIEISA-N 1 2 237.730 2.802 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1nsc2ccccc21 ZINC000851988689 588652527 /nfs/dbraw/zinc/65/25/27/588652527.db2.gz BZSMPZGLBPLPCN-JTQLQIEISA-N 1 2 230.336 2.750 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1nsc2ccccc21 ZINC000851988689 588652528 /nfs/dbraw/zinc/65/25/28/588652528.db2.gz BZSMPZGLBPLPCN-JTQLQIEISA-N 1 2 230.336 2.750 20 30 BFEDLO C#CC[C@@H]1CCC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000852206476 588672024 /nfs/dbraw/zinc/67/20/24/588672024.db2.gz KSHCLOOMGHLSTR-GDBMZVCRSA-N 1 2 238.334 2.987 20 30 BFEDLO C#CC[C@@H]1CCC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000852206476 588672025 /nfs/dbraw/zinc/67/20/25/588672025.db2.gz KSHCLOOMGHLSTR-GDBMZVCRSA-N 1 2 238.334 2.987 20 30 BFEDLO C=C(Br)C[N@@H+](C)CC1=CCSC1 ZINC000852747434 588699598 /nfs/dbraw/zinc/69/95/98/588699598.db2.gz IGUWTKYANXNFHC-UHFFFAOYSA-N 1 2 248.189 2.500 20 30 BFEDLO C=C(Br)C[N@H+](C)CC1=CCSC1 ZINC000852747434 588699599 /nfs/dbraw/zinc/69/95/99/588699599.db2.gz IGUWTKYANXNFHC-UHFFFAOYSA-N 1 2 248.189 2.500 20 30 BFEDLO C=CC[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000860899022 589127867 /nfs/dbraw/zinc/12/78/67/589127867.db2.gz RFQUTQJRENQSNQ-GXTWGEPZSA-N 1 2 247.338 2.797 20 30 BFEDLO Cc1c(F)nccc1C[N@H+](CCC#N)CC1CC1 ZINC000862238919 589196261 /nfs/dbraw/zinc/19/62/61/589196261.db2.gz OVUDOELOHQLRHB-UHFFFAOYSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1c(F)nccc1C[N@@H+](CCC#N)CC1CC1 ZINC000862238919 589196262 /nfs/dbraw/zinc/19/62/62/589196262.db2.gz OVUDOELOHQLRHB-UHFFFAOYSA-N 1 2 247.317 2.655 20 30 BFEDLO C#CC[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000862444613 589213781 /nfs/dbraw/zinc/21/37/81/589213781.db2.gz DEQSBUWDMDJCTQ-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO C#CC[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000862444613 589213782 /nfs/dbraw/zinc/21/37/82/589213782.db2.gz DEQSBUWDMDJCTQ-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO CC(C)O[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863116391 589259256 /nfs/dbraw/zinc/25/92/56/589259256.db2.gz OJFFXVWAABQZAX-UHFFFAOYSA-N 1 2 242.269 2.790 20 30 BFEDLO C=CCO[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863118004 589259981 /nfs/dbraw/zinc/25/99/81/589259981.db2.gz JUXGQQURRQKTNE-UHFFFAOYSA-N 1 2 240.253 2.567 20 30 BFEDLO C=CCO[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863118239 589260056 /nfs/dbraw/zinc/26/00/56/589260056.db2.gz RVVOEDNOXFTZHL-UHFFFAOYSA-N 1 2 240.253 2.567 20 30 BFEDLO COc1ccc([C@@H](C)C(C)=[NH+]n2cccn2)cc1 ZINC000863164643 589266694 /nfs/dbraw/zinc/26/66/94/589266694.db2.gz RALAXPGNDJNIPJ-NSHDSACASA-N 1 2 243.310 2.919 20 30 BFEDLO C[C@@H]1C[C@H]1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000863455011 589288948 /nfs/dbraw/zinc/28/89/48/589288948.db2.gz SMWGERCZWYMCNI-SCZZXKLOSA-N 1 2 238.718 2.633 20 30 BFEDLO C=CCCC[N@@H+](C)Cn1nc(C)sc1=S ZINC000119734912 589329112 /nfs/dbraw/zinc/32/91/12/589329112.db2.gz PXYPDGXVPBHVPN-UHFFFAOYSA-N 1 2 243.401 2.838 20 30 BFEDLO C=CCCC[N@H+](C)Cn1nc(C)sc1=S ZINC000119734912 589329114 /nfs/dbraw/zinc/32/91/14/589329114.db2.gz PXYPDGXVPBHVPN-UHFFFAOYSA-N 1 2 243.401 2.838 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CC1CC=CC1 ZINC000864345345 589354163 /nfs/dbraw/zinc/35/41/63/589354163.db2.gz UHEZDEZXOVPAMK-UVTDQMKNSA-N 1 2 201.269 2.777 20 30 BFEDLO C=CCCN(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865715484 589458164 /nfs/dbraw/zinc/45/81/64/589458164.db2.gz ULRSKLMKATYRGZ-UHFFFAOYSA-N 1 2 236.706 2.575 20 30 BFEDLO C#CCCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866304549 589485255 /nfs/dbraw/zinc/48/52/55/589485255.db2.gz FFSYUZTYHWCHIW-LBPRGKRZSA-N 1 2 242.322 2.718 20 30 BFEDLO C#CCCCC/[NH+]=C/c1cccc(OC)c1O ZINC000121031077 589487379 /nfs/dbraw/zinc/48/73/79/589487379.db2.gz SZEGELQJSFOENK-RVDMUPIBSA-N 1 2 231.295 2.623 20 30 BFEDLO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc(C#N)c1O ZINC000866359328 589488073 /nfs/dbraw/zinc/48/80/73/589488073.db2.gz SFYCLTRYLFCLAH-OUJBWJOFSA-N 1 2 230.311 2.713 20 30 BFEDLO C[C@H]([NH2+]CC(C)(F)F)c1cccc(C#N)c1O ZINC000866364991 589488235 /nfs/dbraw/zinc/48/82/35/589488235.db2.gz UIQOUWRGEVMKHS-QMMMGPOBSA-N 1 2 240.253 2.570 20 30 BFEDLO CCC1([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866363102 589488398 /nfs/dbraw/zinc/48/83/98/589488398.db2.gz HPFCRVFRKLMRJG-SNVBAGLBSA-N 1 2 230.311 2.857 20 30 BFEDLO CCOC1CC2(C[C@@H]2/[NH+]=C/c2ccccc2O)C1 ZINC000871598485 589772649 /nfs/dbraw/zinc/77/26/49/589772649.db2.gz QKZCWABUQWGXJA-YSAUKCKJSA-N 1 2 245.322 2.769 20 30 BFEDLO CCOC1CC2(C[C@@H]2/[NH+]=C\c2ccccc2O)C1 ZINC000871598483 589772679 /nfs/dbraw/zinc/77/26/79/589772679.db2.gz QKZCWABUQWGXJA-ORIOABKFSA-N 1 2 245.322 2.769 20 30 BFEDLO C=CCC[C@@H]([NH2+]Cc1nonc1C)c1ccco1 ZINC000872137084 589878760 /nfs/dbraw/zinc/87/87/60/589878760.db2.gz QKGVMBPYRPZCNP-LLVKDONJSA-N 1 2 247.298 2.768 20 30 BFEDLO CCn1c[nH+]cc1C=NNC1CCC(C)(C)CC1 ZINC000872395115 589932571 /nfs/dbraw/zinc/93/25/71/589932571.db2.gz DBJHTWBPVKBKNI-UHFFFAOYSA-N 1 2 248.374 2.795 20 30 BFEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC1CC1 ZINC000124232855 589965774 /nfs/dbraw/zinc/96/57/74/589965774.db2.gz BYXXBZRQBGOGDQ-UHFFFAOYSA-N 1 2 238.718 2.581 20 30 BFEDLO C[C@H]([NH2+]CCC#N)c1nc2ccccc2s1 ZINC000020199878 590083786 /nfs/dbraw/zinc/08/37/86/590083786.db2.gz LYMCUXVUSJMGNB-VIFPVBQESA-N 1 2 231.324 2.861 20 30 BFEDLO C=C(C)CN(CC)c1ccc([C@H](C)O)c[nH+]1 ZINC000124901362 590098166 /nfs/dbraw/zinc/09/81/66/590098166.db2.gz ZBKNLUYSMFYVNU-NSHDSACASA-N 1 2 220.316 2.537 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877321981 590316193 /nfs/dbraw/zinc/31/61/93/590316193.db2.gz VNNASYQUVNGQIW-MRVPVSSYSA-N 1 2 249.701 2.730 20 30 BFEDLO N#CCC[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000877482568 590338205 /nfs/dbraw/zinc/33/82/05/590338205.db2.gz CNWVXIWRNGNSFR-UHFFFAOYSA-N 1 2 244.125 2.579 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1c(C)cccc1O ZINC000877546732 590353073 /nfs/dbraw/zinc/35/30/73/590353073.db2.gz UGJJUUHXDSNKAE-UHFFFAOYSA-N 1 2 230.311 2.602 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1c(C)cccc1O ZINC000877546732 590353075 /nfs/dbraw/zinc/35/30/75/590353075.db2.gz UGJJUUHXDSNKAE-UHFFFAOYSA-N 1 2 230.311 2.602 20 30 BFEDLO CC[C@@H]1CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877548251 590354487 /nfs/dbraw/zinc/35/44/87/590354487.db2.gz UDGXREPBLWASNJ-LLVKDONJSA-N 1 2 235.718 2.591 20 30 BFEDLO CC[C@@H]1CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877548251 590354490 /nfs/dbraw/zinc/35/44/90/590354490.db2.gz UDGXREPBLWASNJ-LLVKDONJSA-N 1 2 235.718 2.591 20 30 BFEDLO C=C(Cl)C[C@@H]([NH2+]C(CC)CC)C(=O)OCC ZINC000877671911 590389728 /nfs/dbraw/zinc/38/97/28/590389728.db2.gz RMDYWONSDUYPBC-LLVKDONJSA-N 1 2 247.766 2.839 20 30 BFEDLO C=C1CC[NH+](Cc2scnc2Cl)CC1 ZINC000878087314 590489359 /nfs/dbraw/zinc/48/93/59/590489359.db2.gz JWAZAYFXCQRJHT-UHFFFAOYSA-N 1 2 228.748 2.949 20 30 BFEDLO C=CC[C@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000878157711 590509579 /nfs/dbraw/zinc/50/95/79/590509579.db2.gz KPLLWPLWPOBBLX-SMDDNHRTSA-N 1 2 245.322 2.681 20 30 BFEDLO C=CC[C@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000878157711 590509580 /nfs/dbraw/zinc/50/95/80/590509580.db2.gz KPLLWPLWPOBBLX-SMDDNHRTSA-N 1 2 245.322 2.681 20 30 BFEDLO C=CC[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878461709 590570373 /nfs/dbraw/zinc/57/03/73/590570373.db2.gz OOOUOLAKVNJDSY-UHFFFAOYSA-N 1 2 234.343 2.807 20 30 BFEDLO C=CC[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878461709 590570374 /nfs/dbraw/zinc/57/03/74/590570374.db2.gz OOOUOLAKVNJDSY-UHFFFAOYSA-N 1 2 234.343 2.807 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCCC(C)(C)O1 ZINC000878639829 590599432 /nfs/dbraw/zinc/59/94/32/590599432.db2.gz WLSKSNKNZMHYBQ-CYBMUJFWSA-N 1 2 236.359 2.736 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@H]1CCCC(C)(C)O1 ZINC000878639829 590599433 /nfs/dbraw/zinc/59/94/33/590599433.db2.gz WLSKSNKNZMHYBQ-CYBMUJFWSA-N 1 2 236.359 2.736 20 30 BFEDLO CC#CC[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878656329 590603096 /nfs/dbraw/zinc/60/30/96/590603096.db2.gz MBUPAXMOKJNCMT-UHFFFAOYSA-N 1 2 246.354 2.645 20 30 BFEDLO CC#CC[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878656329 590603097 /nfs/dbraw/zinc/60/30/97/590603097.db2.gz MBUPAXMOKJNCMT-UHFFFAOYSA-N 1 2 246.354 2.645 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C)c(Cl)n1 ZINC000878699776 590612029 /nfs/dbraw/zinc/61/20/29/590612029.db2.gz WHSKONVKPOLIOJ-SNVBAGLBSA-N 1 2 237.734 2.825 20 30 BFEDLO ClC1=CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000878792277 590623396 /nfs/dbraw/zinc/62/33/96/590623396.db2.gz YTOGRYJKUHVDBI-UHFFFAOYSA-N 1 2 231.726 2.867 20 30 BFEDLO ClC1=CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000878792277 590623398 /nfs/dbraw/zinc/62/33/98/590623398.db2.gz YTOGRYJKUHVDBI-UHFFFAOYSA-N 1 2 231.726 2.867 20 30 BFEDLO C=CC(C)(C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000878972414 590665095 /nfs/dbraw/zinc/66/50/95/590665095.db2.gz PRLJSNDJLXVHOL-UHFFFAOYSA-N 1 2 243.310 2.875 20 30 BFEDLO CC[N@H+](C[C@H]1CC(C)(C)OC1(C)C)[C@H](C)C#N ZINC000878986924 590666437 /nfs/dbraw/zinc/66/64/37/590666437.db2.gz AVSCZWVGXSXFOU-VXGBXAGGSA-N 1 2 238.375 2.814 20 30 BFEDLO CC[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)[C@H](C)C#N ZINC000878986924 590666440 /nfs/dbraw/zinc/66/64/40/590666440.db2.gz AVSCZWVGXSXFOU-VXGBXAGGSA-N 1 2 238.375 2.814 20 30 BFEDLO C=CC(C)(C)CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000879508532 590782808 /nfs/dbraw/zinc/78/28/08/590782808.db2.gz NBFQOGDXTOEHLR-JTQLQIEISA-N 1 2 235.331 2.579 20 30 BFEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000880227618 590961413 /nfs/dbraw/zinc/96/14/13/590961413.db2.gz RYMMGEDDQFEHOO-MNOVXSKESA-N 1 2 247.342 2.607 20 30 BFEDLO COc1cccc([C@@H]2CC[N@H+](CC#N)C2(C)C)c1 ZINC000880285247 590984780 /nfs/dbraw/zinc/98/47/80/590984780.db2.gz QIYDYWWNTLGKNE-AWEZNQCLSA-N 1 2 244.338 2.787 20 30 BFEDLO COc1cccc([C@@H]2CC[N@@H+](CC#N)C2(C)C)c1 ZINC000880285247 590984782 /nfs/dbraw/zinc/98/47/82/590984782.db2.gz QIYDYWWNTLGKNE-AWEZNQCLSA-N 1 2 244.338 2.787 20 30 BFEDLO C=CC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880446740 591046923 /nfs/dbraw/zinc/04/69/23/591046923.db2.gz PWLJVCWCNAHPGD-UHFFFAOYSA-N 1 2 209.239 2.509 20 30 BFEDLO C=CC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880446740 591046925 /nfs/dbraw/zinc/04/69/25/591046925.db2.gz PWLJVCWCNAHPGD-UHFFFAOYSA-N 1 2 209.239 2.509 20 30 BFEDLO Cc1[nH+]cnc(NCC(C)(C)CCC#N)c1C ZINC000882376827 591339973 /nfs/dbraw/zinc/33/99/73/591339973.db2.gz XVKVUKRXJQLLIM-UHFFFAOYSA-N 1 2 232.331 2.835 20 30 BFEDLO C=CCCSCCNc1nc[nH+]c(C)c1C ZINC000882594174 591396762 /nfs/dbraw/zinc/39/67/62/591396762.db2.gz IDYUWXLLRZBOQS-UHFFFAOYSA-N 1 2 237.372 2.815 20 30 BFEDLO C=C(C)C[C@@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000883005792 591507238 /nfs/dbraw/zinc/50/72/38/591507238.db2.gz YMXROQZCGGQFNQ-ZDUSSCGKSA-N 1 2 249.358 2.558 20 30 BFEDLO N#Cc1cc(NCc2[nH]cc[nH+]2)ccc1C1CC1 ZINC000883337425 591619357 /nfs/dbraw/zinc/61/93/57/591619357.db2.gz FWUJLBJMWDJMFR-UHFFFAOYSA-N 1 2 238.294 2.771 20 30 BFEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c[nH+]c1C ZINC000883342793 591622963 /nfs/dbraw/zinc/62/29/63/591622963.db2.gz MPJCVUDGYCPZLS-NWDGAFQWSA-N 1 2 215.300 2.803 20 30 BFEDLO Cc1cc(N[C@H]2CC[C@H](C#N)C2)c[nH+]c1C ZINC000883342794 591623441 /nfs/dbraw/zinc/62/34/41/591623441.db2.gz MPJCVUDGYCPZLS-RYUDHWBXSA-N 1 2 215.300 2.803 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)oc1C ZINC000135039589 591975430 /nfs/dbraw/zinc/97/54/30/591975430.db2.gz JEIXGCYVDBUKKL-LBPRGKRZSA-N 1 2 206.289 2.678 20 30 BFEDLO C=CC[C@H]1CCCN(c2cc[nH+]c(CC)n2)C1 ZINC000884554905 591977017 /nfs/dbraw/zinc/97/70/17/591977017.db2.gz GEDSUAORAKMDBJ-LBPRGKRZSA-N 1 2 231.343 2.832 20 30 BFEDLO C#CC[C@@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000886365341 592219373 /nfs/dbraw/zinc/21/93/73/592219373.db2.gz GKRBGUZLERCYRK-HIFRSBDPSA-N 1 2 224.307 2.596 20 30 BFEDLO C#CC[C@@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000886365341 592219375 /nfs/dbraw/zinc/21/93/75/592219375.db2.gz GKRBGUZLERCYRK-HIFRSBDPSA-N 1 2 224.307 2.596 20 30 BFEDLO COc1cccc(/C=[NH+]\C[C@H]2C=CCC2)c1O ZINC000887268046 592473564 /nfs/dbraw/zinc/47/35/64/592473564.db2.gz APLYVAKWTLDTLO-SAIXKJTDSA-N 1 2 231.295 2.786 20 30 BFEDLO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C#N ZINC000887313983 592480143 /nfs/dbraw/zinc/48/01/43/592480143.db2.gz PFTRGXHWBTXVST-GXTWGEPZSA-N 1 2 216.328 2.755 20 30 BFEDLO COCc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932153835 635601551 /nfs/dbraw/zinc/60/15/51/635601551.db2.gz BVJWTOFVCCZLFJ-OAHLLOKOSA-N 1 2 244.338 2.569 20 30 BFEDLO COCc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932153835 635601558 /nfs/dbraw/zinc/60/15/58/635601558.db2.gz BVJWTOFVCCZLFJ-OAHLLOKOSA-N 1 2 244.338 2.569 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(O)c(F)c1)C1CC1 ZINC000892194898 631776677 /nfs/dbraw/zinc/77/66/77/631776677.db2.gz JTPNDLPYQFIYQZ-JTQLQIEISA-N 1 2 248.301 2.655 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(O)c(F)c1)C1CC1 ZINC000892194898 631776684 /nfs/dbraw/zinc/77/66/84/631776684.db2.gz JTPNDLPYQFIYQZ-JTQLQIEISA-N 1 2 248.301 2.655 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CCCc1ccccn1 ZINC000255498109 631794881 /nfs/dbraw/zinc/79/48/81/631794881.db2.gz GSAKIQNDCSBBDL-VBKFSLOCSA-N 1 2 240.306 2.839 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1C/C(Cl)=C/Cl ZINC000934460346 631855465 /nfs/dbraw/zinc/85/54/65/631855465.db2.gz LLRCDQKCBZMFGT-JGAIRUGNSA-N 1 2 206.116 2.956 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1C/C(Cl)=C/Cl ZINC000934460346 631855470 /nfs/dbraw/zinc/85/54/70/631855470.db2.gz LLRCDQKCBZMFGT-JGAIRUGNSA-N 1 2 206.116 2.956 20 30 BFEDLO NC(=[NH+]OCC1CCCC1)c1ccccc1 ZINC000178779951 635693174 /nfs/dbraw/zinc/69/31/74/635693174.db2.gz LXHDPCMGFCRZNF-UHFFFAOYSA-N 1 2 218.300 2.514 20 30 BFEDLO CC[C@H]([NH2+]CC(C)C)c1cccc(C#N)c1O ZINC000924532885 632751921 /nfs/dbraw/zinc/75/19/21/632751921.db2.gz YOYYDBGMAMISDS-ZDUSSCGKSA-N 1 2 232.327 2.961 20 30 BFEDLO COc1cccc(/C=[NH+]\CCC(C)C)c1O ZINC000255873758 632850572 /nfs/dbraw/zinc/85/05/72/632850572.db2.gz RXGXYOZWZAFCSI-ZROIWOOFSA-N 1 2 221.300 2.866 20 30 BFEDLO C/C=C\C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926770139 633014152 /nfs/dbraw/zinc/01/41/52/633014152.db2.gz MZTSTZJKOXCBSD-HSBHDXMMSA-N 1 2 230.311 2.881 20 30 BFEDLO C=CC[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894522489 635906666 /nfs/dbraw/zinc/90/66/66/635906666.db2.gz INXBVYHVXKEWTI-LBPRGKRZSA-N 1 2 242.326 2.522 20 30 BFEDLO COc1cccc2cc(C[NH2+]C[C@@H](C)C#N)oc21 ZINC000054181025 636047210 /nfs/dbraw/zinc/04/72/10/636047210.db2.gz HJCNBMRPWMHNTJ-JTQLQIEISA-N 1 2 244.294 2.691 20 30 BFEDLO CC/C=C/CCO[NH+]=C(N)c1ccccc1 ZINC000184414027 634005154 /nfs/dbraw/zinc/00/51/54/634005154.db2.gz FLGZSQILEWJXJL-ONEGZZNKSA-N 1 2 218.300 2.680 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590666 638214495 /nfs/dbraw/zinc/21/44/95/638214495.db2.gz SCHXQKLRTMUUPC-RBSFLKMASA-N 1 2 244.313 2.917 20 30 BFEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590666 638214502 /nfs/dbraw/zinc/21/45/02/638214502.db2.gz SCHXQKLRTMUUPC-RBSFLKMASA-N 1 2 244.313 2.917 20 30 BFEDLO C[C@H](c1ccc(F)nc1)[N@H+](C)CC(C)(C)C#N ZINC000930567292 639811802 /nfs/dbraw/zinc/81/18/02/639811802.db2.gz HELHRDIPKDCZPM-SNVBAGLBSA-N 1 2 235.306 2.763 20 30 BFEDLO C[C@H](c1ccc(F)nc1)[N@@H+](C)CC(C)(C)C#N ZINC000930567292 639811803 /nfs/dbraw/zinc/81/18/03/639811803.db2.gz HELHRDIPKDCZPM-SNVBAGLBSA-N 1 2 235.306 2.763 20 30 BFEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C(C)C)ns1 ZINC000930599646 639816890 /nfs/dbraw/zinc/81/68/90/639816890.db2.gz CAOAWAXLJDYAMV-GFCCVEGCSA-N 1 2 237.372 2.553 20 30 BFEDLO C[C@@H](C#N)[N@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000930973083 640007871 /nfs/dbraw/zinc/00/78/71/640007871.db2.gz RHXYDUCNVJJYKH-WUHRBBMRSA-N 1 2 236.359 2.566 20 30 BFEDLO C[C@@H](C#N)[N@@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000930973083 640007877 /nfs/dbraw/zinc/00/78/77/640007877.db2.gz RHXYDUCNVJJYKH-WUHRBBMRSA-N 1 2 236.359 2.566 20 30 BFEDLO C#C[C@H](CC)[NH2+]Cc1occc1Br ZINC000229896954 640991818 /nfs/dbraw/zinc/99/18/18/640991818.db2.gz ZECPCHUAOGXQES-MRVPVSSYSA-N 1 2 242.116 2.544 20 30 BFEDLO C=CCCC[N@@H+](CC)Cc1noc(C2CC2)n1 ZINC000934649378 641234890 /nfs/dbraw/zinc/23/48/90/641234890.db2.gz UCMJJWZDQBXQRA-UHFFFAOYSA-N 1 2 235.331 2.735 20 30 BFEDLO C=CCCC[N@H+](CC)Cc1noc(C2CC2)n1 ZINC000934649378 641234895 /nfs/dbraw/zinc/23/48/95/641234895.db2.gz UCMJJWZDQBXQRA-UHFFFAOYSA-N 1 2 235.331 2.735 20 30 BFEDLO C[C@H]1C[N@H+](CCC#N)Cc2ccccc21 ZINC000916152342 641913701 /nfs/dbraw/zinc/91/37/01/641913701.db2.gz POPBXTLDFIFOIT-NSHDSACASA-N 1 2 200.285 2.519 20 30 BFEDLO C[C@H]1C[N@@H+](CCC#N)Cc2ccccc21 ZINC000916152342 641913707 /nfs/dbraw/zinc/91/37/07/641913707.db2.gz POPBXTLDFIFOIT-NSHDSACASA-N 1 2 200.285 2.519 20 30 BFEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)no1)C(C)C ZINC000917070818 642001385 /nfs/dbraw/zinc/00/13/85/642001385.db2.gz GQJWYDVPPNLOAJ-UHFFFAOYSA-N 1 2 237.347 2.764 20 30 BFEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)no1)C(C)C ZINC000917070818 642001390 /nfs/dbraw/zinc/00/13/90/642001390.db2.gz GQJWYDVPPNLOAJ-UHFFFAOYSA-N 1 2 237.347 2.764 20 30 BFEDLO N#CCC[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000352359983 642222069 /nfs/dbraw/zinc/22/20/69/642222069.db2.gz CYVYLSKDBVNQFF-UHFFFAOYSA-N 1 2 243.335 2.813 20 30 BFEDLO Oc1cccc(/C=[NH+]\C[C@@H]2CC=CCC2)c1O ZINC000920991354 642566655 /nfs/dbraw/zinc/56/66/55/642566655.db2.gz RSFRIGIEKDJZSA-MKVLZVNKSA-N 1 2 231.295 2.873 20 30 BFEDLO C=C(Cl)C[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187234539 643162939 /nfs/dbraw/zinc/16/29/39/643162939.db2.gz POAGUKZCTXRBLB-OAHLLOKOSA-N 1 2 243.759 2.700 20 30 BFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(F)nc1 ZINC000189330342 643176006 /nfs/dbraw/zinc/17/60/06/643176006.db2.gz IGUMSZRRFAJQAP-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(F)nc1 ZINC000189330342 643176013 /nfs/dbraw/zinc/17/60/13/643176013.db2.gz IGUMSZRRFAJQAP-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO NC(=[NH+]OCc1cccc(F)c1)c1ccccc1 ZINC000072807327 643306404 /nfs/dbraw/zinc/30/64/04/643306404.db2.gz DMKPUFROIJJARW-UHFFFAOYSA-N 1 2 244.269 2.663 20 30 BFEDLO Cc1ccccc1CO[NH+]=C(N)c1ccccc1 ZINC000072807338 643307000 /nfs/dbraw/zinc/30/70/00/643307000.db2.gz GWXHFDLLFSZLOB-UHFFFAOYSA-N 1 2 240.306 2.832 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1cc(C)cnc1Cl ZINC000921755925 643774566 /nfs/dbraw/zinc/77/45/66/643774566.db2.gz GGCSREMRLKAJKZ-UHFFFAOYSA-N 1 2 231.126 2.886 20 30 BFEDLO CC[N@@H+](Cc1cc(C)oc1C)C[C@@H](C)C#N ZINC000091983620 644644918 /nfs/dbraw/zinc/64/49/18/644644918.db2.gz LDSDUUMVVYGQLY-JTQLQIEISA-N 1 2 220.316 2.878 20 30 BFEDLO CC[N@H+](Cc1cc(C)oc1C)C[C@@H](C)C#N ZINC000091983620 644644921 /nfs/dbraw/zinc/64/49/21/644644921.db2.gz LDSDUUMVVYGQLY-JTQLQIEISA-N 1 2 220.316 2.878 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cn(C)cn1 ZINC000926710580 645376612 /nfs/dbraw/zinc/37/66/12/645376612.db2.gz AWPUIHMIIXQKHO-GFCCVEGCSA-N 1 2 246.358 2.545 20 30 BFEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc2c1OCO2 ZINC000926873302 645469407 /nfs/dbraw/zinc/46/94/07/645469407.db2.gz FGZBISJOYHQRQL-JTQLQIEISA-N 1 2 246.310 2.616 20 30 BFEDLO CCOc1cc(F)cc(C[NH+]2CC(CC#N)C2)c1 ZINC000877625887 645802488 /nfs/dbraw/zinc/80/24/88/645802488.db2.gz TYKCPHYUOOLOFL-UHFFFAOYSA-N 1 2 248.301 2.570 20 30 BFEDLO Cc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1C#N ZINC000886541060 645888518 /nfs/dbraw/zinc/88/85/18/645888518.db2.gz PUKRAEPMYQBGAU-NSHDSACASA-N 1 2 241.294 2.706 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000925438299 646283968 /nfs/dbraw/zinc/28/39/68/646283968.db2.gz WOAQHAPKSJQTEW-SNVBAGLBSA-N 1 2 239.750 2.623 20 30 BFEDLO C=C(Cl)CN[C@H](C)c1cn2c([nH+]1)CCCC2 ZINC000925438299 646283982 /nfs/dbraw/zinc/28/39/82/646283982.db2.gz WOAQHAPKSJQTEW-SNVBAGLBSA-N 1 2 239.750 2.623 20 30 BFEDLO CC[C@@H]1C[C@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000929797225 646325027 /nfs/dbraw/zinc/32/50/27/646325027.db2.gz FFQQSJNRRMQHJO-KGLIPLIRSA-N 1 2 243.354 2.843 20 30 BFEDLO CC[C@@H]1C[C@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000929797225 646325030 /nfs/dbraw/zinc/32/50/30/646325030.db2.gz FFQQSJNRRMQHJO-KGLIPLIRSA-N 1 2 243.354 2.843 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)C(C)C ZINC000724387653 711577402 /nfs/dbraw/zinc/57/74/02/711577402.db2.gz KVEYLRHEKZHKRV-LLVKDONJSA-N 1 2 234.343 2.720 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](CCOC2CCCCC2)C1 ZINC000701399645 712022951 /nfs/dbraw/zinc/02/29/51/712022951.db2.gz RBEAHONCRCWLBM-ZDUSSCGKSA-N 1 2 236.359 2.571 20 30 BFEDLO C[C@]1(C[N@@H+]2CCC[C@H](C#N)C2)CC1(Cl)Cl ZINC000932153661 712715679 /nfs/dbraw/zinc/71/56/79/712715679.db2.gz BBTJVYFTKNNGNX-NXEZZACHSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@]1(C[N@H+]2CCC[C@H](C#N)C2)CC1(Cl)Cl ZINC000932153661 712715681 /nfs/dbraw/zinc/71/56/81/712715681.db2.gz BBTJVYFTKNNGNX-NXEZZACHSA-N 1 2 247.169 2.806 20 30 BFEDLO CO[C@H](C[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000385935248 711020555 /nfs/dbraw/zinc/02/05/55/711020555.db2.gz DZEGSDBYDPMQML-UKRRQHHQSA-N 1 2 244.338 2.610 20 30 BFEDLO CO[C@H](C[N@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000385935248 711020557 /nfs/dbraw/zinc/02/05/57/711020557.db2.gz DZEGSDBYDPMQML-UKRRQHHQSA-N 1 2 244.338 2.610 20 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ZINC000707332795 712167950 /nfs/dbraw/zinc/16/79/50/712167950.db2.gz OFCHRLQIBVGFAI-UHFFFAOYSA-N 1 2 244.338 2.558 20 30 BFEDLO C[C@@H]1c2sccc2CC[N@H+]1CCC#N ZINC000712263317 712345108 /nfs/dbraw/zinc/34/51/08/712345108.db2.gz SPSDUOIQZYZGAN-SECBINFHSA-N 1 2 206.314 2.581 20 30 BFEDLO C[C@@H]1c2sccc2CC[N@@H+]1CCC#N ZINC000712263317 712345109 /nfs/dbraw/zinc/34/51/09/712345109.db2.gz SPSDUOIQZYZGAN-SECBINFHSA-N 1 2 206.314 2.581 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000879307862 712632956 /nfs/dbraw/zinc/63/29/56/712632956.db2.gz FPUKKOVDAOZYCQ-VXGBXAGGSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000879307862 712632957 /nfs/dbraw/zinc/63/29/57/712632957.db2.gz FPUKKOVDAOZYCQ-VXGBXAGGSA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720824365 712867776 /nfs/dbraw/zinc/86/77/76/712867776.db2.gz RZUFJAKXLIOUEC-RYUDHWBXSA-N 1 2 244.338 2.601 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720824365 712867777 /nfs/dbraw/zinc/86/77/77/712867777.db2.gz RZUFJAKXLIOUEC-RYUDHWBXSA-N 1 2 244.338 2.601 20 30 BFEDLO C=CCCCCCCN1CC[NH+](C2CC2)CC1 ZINC001209432035 957462120 /nfs/dbraw/zinc/46/21/20/957462120.db2.gz XQSKSBMHLAFRKB-UHFFFAOYSA-N 1 2 236.403 2.903 20 30 BFEDLO C=CC[N@@H+](Cc1cc(C)[nH]n1)C(C)(C)C ZINC001203081093 960736494 /nfs/dbraw/zinc/73/64/94/960736494.db2.gz KHLCJBPMDJQLII-UHFFFAOYSA-N 1 2 207.321 2.505 20 30 BFEDLO C=CC[N@H+](Cc1cc(C)[nH]n1)C(C)(C)C ZINC001203081093 960736508 /nfs/dbraw/zinc/73/65/08/960736508.db2.gz KHLCJBPMDJQLII-UHFFFAOYSA-N 1 2 207.321 2.505 20 30 BFEDLO CC(C)(Nc1cc(CC#N)cc[nH+]1)C1CC1 ZINC001155068844 962959336 /nfs/dbraw/zinc/95/93/36/962959336.db2.gz OCVWNJVNEJVEDC-UHFFFAOYSA-N 1 2 215.300 2.748 20 30 BFEDLO N#C[C@H]1CC=C(CCn2cc[nH+]c2)CC1 ZINC001250318491 967687536 /nfs/dbraw/zinc/68/75/36/967687536.db2.gz GGZQNVSZUZYZCO-LBPRGKRZSA-N 1 2 201.273 2.523 20 30 BFEDLO C=CCCc1[nH]c2cc(F)c(OC)cc2[nH+]1 ZINC001250599297 968133833 /nfs/dbraw/zinc/13/38/33/968133833.db2.gz YVXLVEYNAHDQNZ-UHFFFAOYSA-N 1 2 220.247 2.829 20 30 BFEDLO C=CCCc1[nH]c2cc(OC)c(F)cc2[nH+]1 ZINC001250599297 968133845 /nfs/dbraw/zinc/13/38/45/968133845.db2.gz YVXLVEYNAHDQNZ-UHFFFAOYSA-N 1 2 220.247 2.829 20 30 BFEDLO C=CCCc1[nH+]c2ccc(F)c(F)c2n1C ZINC001250598790 968137345 /nfs/dbraw/zinc/13/73/45/968137345.db2.gz BRNSEHXPQRNFRB-UHFFFAOYSA-N 1 2 222.238 2.970 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1cc(C)ccn1 ZINC001206852993 968492504 /nfs/dbraw/zinc/49/25/04/968492504.db2.gz WFUWKAVRWIEWST-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1cc(C)ccn1 ZINC001206852993 968492510 /nfs/dbraw/zinc/49/25/10/968492510.db2.gz WFUWKAVRWIEWST-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO CCCC[N@H+](CC#N)CC1CCC(OC)CC1 ZINC001209395932 969460224 /nfs/dbraw/zinc/46/02/24/969460224.db2.gz OYXQSKYNJMZUQK-UHFFFAOYSA-N 1 2 238.375 2.817 20 30 BFEDLO CCCC[N@@H+](CC#N)CC1CCC(OC)CC1 ZINC001209395932 969460241 /nfs/dbraw/zinc/46/02/41/969460241.db2.gz OYXQSKYNJMZUQK-UHFFFAOYSA-N 1 2 238.375 2.817 20 30 BFEDLO C=CCCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209423212 969490070 /nfs/dbraw/zinc/49/00/70/969490070.db2.gz JNZZTZZSGHJBKG-LBPRGKRZSA-N 1 2 247.329 2.682 20 30 BFEDLO C=CCCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209423212 969490075 /nfs/dbraw/zinc/49/00/75/969490075.db2.gz JNZZTZZSGHJBKG-LBPRGKRZSA-N 1 2 247.329 2.682 20 30 BFEDLO C=CC[N@H+](Cc1cn[nH]c1C)C(C)(C)C ZINC001209558504 969541828 /nfs/dbraw/zinc/54/18/28/969541828.db2.gz KKJQTAKBNYZPMB-UHFFFAOYSA-N 1 2 207.321 2.505 20 30 BFEDLO CCCC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255326715 970104708 /nfs/dbraw/zinc/10/47/08/970104708.db2.gz UALVAMZTYITRQB-PWSUYJOCSA-N 1 2 239.384 2.839 20 30 BFEDLO CCCC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255326715 970104714 /nfs/dbraw/zinc/10/47/14/970104714.db2.gz UALVAMZTYITRQB-PWSUYJOCSA-N 1 2 239.384 2.839 20 30 BFEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255536165 970304902 /nfs/dbraw/zinc/30/49/02/970304902.db2.gz HEYSLRVYAROUDU-OCCSQVGLSA-N 1 2 238.375 2.862 20 30 BFEDLO CC[C@H]1C[C@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001170168507 970540273 /nfs/dbraw/zinc/54/02/73/970540273.db2.gz INFSONGVDZCJPR-OLZOCXBDSA-N 1 2 236.359 2.760 20 30 BFEDLO C=CCC1(c2nnc(C[NH+](C)C)o2)CCCC1 ZINC001333120960 975453360 /nfs/dbraw/zinc/45/33/60/975453360.db2.gz HHAQQIAMNUAERC-UHFFFAOYSA-N 1 2 235.331 2.519 20 30 BFEDLO C=C(C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC001174788105 977023690 /nfs/dbraw/zinc/02/36/90/977023690.db2.gz SNELJFOKEOGNFQ-UHFFFAOYSA-N 1 2 203.289 2.627 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cc(C)nc(C)c1 ZINC001231999988 977830784 /nfs/dbraw/zinc/83/07/84/977830784.db2.gz CKQDWWKSFHMPKN-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cc(C)nc(C)c1 ZINC001231999988 977830787 /nfs/dbraw/zinc/83/07/87/977830787.db2.gz CKQDWWKSFHMPKN-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1ncc(Cl)cn1 ZINC001235413773 979041057 /nfs/dbraw/zinc/04/10/57/979041057.db2.gz FGFOXKCMYOWGJR-UHFFFAOYSA-N 1 2 225.723 2.528 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1ncc(Cl)cn1 ZINC001235413773 979041067 /nfs/dbraw/zinc/04/10/67/979041067.db2.gz FGFOXKCMYOWGJR-UHFFFAOYSA-N 1 2 225.723 2.528 20 30 BFEDLO N#Cc1cc(C[NH+]2CC=CC2)ccc1Cl ZINC001238196984 980225463 /nfs/dbraw/zinc/22/54/63/980225463.db2.gz RDEXQHKXMCFVJY-UHFFFAOYSA-N 1 2 218.687 2.583 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(Cl)c(C)c1F ZINC001238515553 980278887 /nfs/dbraw/zinc/27/88/87/980278887.db2.gz IRIKUOOCCAVZSA-UHFFFAOYSA-N 1 2 225.694 2.853 20 30 BFEDLO C#CC[N@H+](C)Cc1ccc(Cl)c(C)c1F ZINC001238515553 980278893 /nfs/dbraw/zinc/27/88/93/980278893.db2.gz IRIKUOOCCAVZSA-UHFFFAOYSA-N 1 2 225.694 2.853 20 30 BFEDLO CCCCCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001201761691 983465220 /nfs/dbraw/zinc/46/52/20/983465220.db2.gz OJBBHNPXEWDENX-LBPRGKRZSA-N 1 2 229.339 2.960 20 30 BFEDLO CCCCCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001201761691 983465255 /nfs/dbraw/zinc/46/52/55/983465255.db2.gz OJBBHNPXEWDENX-LBPRGKRZSA-N 1 2 229.339 2.960 20 30 BFEDLO CC(C)OCC[C@@H](C)[NH2+][C@](C)(C#N)C(C)C ZINC001172438731 974797047 /nfs/dbraw/zinc/79/70/47/974797047.db2.gz VOHQFHAOYSIECK-CHWSQXEVSA-N 1 2 226.364 2.718 20 30 BFEDLO CC(C)COCC[C@@H](C)[NH2+][C@@](C)(C#N)C(C)C ZINC001172461621 974825706 /nfs/dbraw/zinc/82/57/06/974825706.db2.gz IPZOIIXSVNWYQY-KGLIPLIRSA-N 1 2 240.391 2.965 20 30 BFEDLO C=CC[C@H](OCc1c[nH+]cn1C)C(C)C ZINC001222600353 972592095 /nfs/dbraw/zinc/59/20/95/972592095.db2.gz NASJAEWOEWONTF-LBPRGKRZSA-N 1 2 208.305 2.537 20 30 BFEDLO CCOC1CCC([NH2+][C@@](C)(C#N)CC)CC1 ZINC001256430740 970834067 /nfs/dbraw/zinc/83/40/67/970834067.db2.gz SZHYIAHVEIUNGA-WXRRBKDZSA-N 1 2 224.348 2.616 20 30 BFEDLO C#Cc1cc(Nc2c(O)cccc2Cl)cc[nH+]1 ZINC001215983626 970887441 /nfs/dbraw/zinc/88/74/41/970887441.db2.gz KERHVPYBUUXESC-UHFFFAOYSA-N 1 2 244.681 2.587 20 30 BFEDLO CCC1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001256869847 971005597 /nfs/dbraw/zinc/00/55/97/971005597.db2.gz VOVSGLAQMUAJJD-UHFFFAOYSA-N 1 2 236.359 2.618 20 30 BFEDLO Cc1c[nH+]c(C)c(Nc2ccc(C#N)nc2)c1 ZINC000404493494 971172470 /nfs/dbraw/zinc/17/24/70/971172470.db2.gz RYFVFEJCYOYDAS-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO Cc1cc(C#N)cc(Nc2[nH+]cccc2N)c1 ZINC000308099752 971187389 /nfs/dbraw/zinc/18/73/89/971187389.db2.gz DTLFFURYRLUVBM-UHFFFAOYSA-N 1 2 224.267 2.588 20 30 BFEDLO Cc1ccc(NC=CC(=O)C(F)(F)F)[nH+]c1C ZINC001158557462 971323447 /nfs/dbraw/zinc/32/34/47/971323447.db2.gz OGSYUZMOSHFHKK-AATRIKPKSA-N 1 2 244.216 2.755 20 30 BFEDLO CCCCCCCO[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001217854862 971443967 /nfs/dbraw/zinc/44/39/67/971443967.db2.gz JHWYYNMLPIYARW-NSHDSACASA-N 1 2 235.318 2.971 20 30 BFEDLO C=CCCCCCO[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001217857603 971447603 /nfs/dbraw/zinc/44/76/03/971447603.db2.gz XWJYNDQBWGINGQ-NSHDSACASA-N 1 2 233.302 2.747 20 30 BFEDLO CC(C)OC1CCC([NH2+]C(C)(C)C#N)CC1 ZINC001257870283 971512279 /nfs/dbraw/zinc/51/22/79/971512279.db2.gz HTNUGCOSYDONLQ-UHFFFAOYSA-N 1 2 224.348 2.614 20 30 BFEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720560 971651675 /nfs/dbraw/zinc/65/16/75/971651675.db2.gz MTIXNXRSTLBILJ-OPDFLTKYSA-N 1 2 220.360 2.949 20 30 BFEDLO CC[C@H](CC#N)[NH2+]CC=C(Cl)Cl ZINC000407145610 971789411 /nfs/dbraw/zinc/78/94/11/971789411.db2.gz NILPWAHEWBDIGP-SSDOTTSWSA-N 1 2 207.104 2.587 20 30 BFEDLO C=CC[C@H](Oc1cc(N)cc[nH+]1)C(C)C ZINC001218436695 971815141 /nfs/dbraw/zinc/81/51/41/971815141.db2.gz QSNNORRFWCWQGP-NSHDSACASA-N 1 2 206.289 2.643 20 30 BFEDLO C=C(C)CN(CC)c1cc(CC#N)cc[nH+]1 ZINC001167050649 956922960 /nfs/dbraw/zinc/92/29/60/956922960.db2.gz DXCVPAONCRQCKZ-UHFFFAOYSA-N 1 2 215.300 2.550 20 30 BFEDLO CC(C)COc1cc(NCCCS)cc[nH+]1 ZINC001171003174 972229243 /nfs/dbraw/zinc/22/92/43/972229243.db2.gz MORYPEWZNMTGBR-UHFFFAOYSA-N 1 2 240.372 2.848 20 30 BFEDLO Cc1cc(Nc2cccn3cc[nH+]c23)cnc1C#N ZINC001210204749 957668221 /nfs/dbraw/zinc/66/82/21/957668221.db2.gz XNICCIGTILUYSH-UHFFFAOYSA-N 1 2 249.277 2.653 20 30 BFEDLO Cc1ccc(C)c(NC2=CC(=O)C[C@H](C)C2)[nH+]1 ZINC001210768598 957869716 /nfs/dbraw/zinc/86/97/16/957869716.db2.gz IOUMZTNATONGTM-SECBINFHSA-N 1 2 230.311 2.993 20 30 BFEDLO Cc1ccc2c(C[N@H+](C)CCC#N)c[nH]c2c1 ZINC001136967401 972308419 /nfs/dbraw/zinc/30/84/19/972308419.db2.gz AIUOJULBVOAJHG-UHFFFAOYSA-N 1 2 227.311 2.822 20 30 BFEDLO Cc1ccc2c(C[N@@H+](C)CCC#N)c[nH]c2c1 ZINC001136967401 972308424 /nfs/dbraw/zinc/30/84/24/972308424.db2.gz AIUOJULBVOAJHG-UHFFFAOYSA-N 1 2 227.311 2.822 20 30 BFEDLO Cc1ccc[nH+]c1Nc1ccc(C#N)cc1N ZINC001213347024 958199281 /nfs/dbraw/zinc/19/92/81/958199281.db2.gz PKRVFXURDAGJJY-UHFFFAOYSA-N 1 2 224.267 2.588 20 30 BFEDLO C#CCCCNc1cc(CSC)cc[nH+]1 ZINC000309084420 959647869 /nfs/dbraw/zinc/64/78/69/959647869.db2.gz VISYTDBCGBBPPO-UHFFFAOYSA-N 1 2 220.341 2.770 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1csnn1 ZINC000695890175 960569690 /nfs/dbraw/zinc/56/96/90/960569690.db2.gz GSSFCAZFCGWPCI-DTWKUNHWSA-N 1 2 238.360 2.517 20 30 BFEDLO CCOCC[C@@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001172411143 974675755 /nfs/dbraw/zinc/67/57/55/974675755.db2.gz LDXSLQNQVVKKIS-GFCCVEGCSA-N 1 2 224.348 2.618 20 30 BFEDLO C[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1C#N ZINC001139687351 961254449 /nfs/dbraw/zinc/25/44/49/961254449.db2.gz OKVZXAZLVSYGIT-SECBINFHSA-N 1 2 220.703 2.806 20 30 BFEDLO C[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139687351 961254471 /nfs/dbraw/zinc/25/44/71/961254471.db2.gz OKVZXAZLVSYGIT-SECBINFHSA-N 1 2 220.703 2.806 20 30 BFEDLO C#CCCCNc1cc(C(C)C)[nH+]c(C)n1 ZINC000709842626 961712037 /nfs/dbraw/zinc/71/20/37/961712037.db2.gz MYXGBPGXGRQWJX-UHFFFAOYSA-N 1 2 217.316 2.734 20 30 BFEDLO Cc1cnc(NC(=[NH2+])C(C)(C)C)c(C#N)c1 ZINC001155176079 962998918 /nfs/dbraw/zinc/99/89/18/962998918.db2.gz OTNOYEAQEABINI-UHFFFAOYSA-N 1 2 216.288 2.697 20 30 BFEDLO CC(C)(C)C(=[NH2+])Nc1ncc(F)cc1C#N ZINC001155175775 962999181 /nfs/dbraw/zinc/99/91/81/962999181.db2.gz JTDINBKJCHQIQP-UHFFFAOYSA-N 1 2 220.251 2.528 20 30 BFEDLO CC(C)(C)C(=[NH2+])Nc1ccc2c(C#N)c[nH]c2n1 ZINC001155180318 963006696 /nfs/dbraw/zinc/00/66/96/963006696.db2.gz QURIPRXMBSZNOE-UHFFFAOYSA-N 1 2 241.298 2.870 20 30 BFEDLO CC(C)(C)C(=[NH2+])Nc1ccc2c(C#N)cnc-2[nH]1 ZINC001155180318 963006707 /nfs/dbraw/zinc/00/67/07/963006707.db2.gz QURIPRXMBSZNOE-UHFFFAOYSA-N 1 2 241.298 2.870 20 30 BFEDLO COC1CCC(Nc2cc(CC#N)cc[nH+]2)CC1 ZINC001157808474 963730944 /nfs/dbraw/zinc/73/09/44/963730944.db2.gz IDBXHAMRAJPLQZ-UHFFFAOYSA-N 1 2 245.326 2.517 20 30 BFEDLO C[C@H](Nc1cc(CC#N)cc[nH+]1)C(C)(C)C ZINC001157878015 963747646 /nfs/dbraw/zinc/74/76/46/963747646.db2.gz IANGBKDQLSCBCC-JTQLQIEISA-N 1 2 217.316 2.994 20 30 BFEDLO C#C[C@](C)(CC)Nc1[nH+]c(C)ccc1OC ZINC001158736929 963911622 /nfs/dbraw/zinc/91/16/22/963911622.db2.gz ADQWIDLCQIGRGH-CYBMUJFWSA-N 1 2 218.300 2.612 20 30 BFEDLO C#C[C@](C)(CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001158742801 963914244 /nfs/dbraw/zinc/91/42/44/963914244.db2.gz LHGWHHMLLAUVCD-CQSZACIVSA-N 1 2 229.327 2.876 20 30 BFEDLO CC1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001168199255 963963431 /nfs/dbraw/zinc/96/34/31/963963431.db2.gz KGIWEZVMPAFMNZ-UHFFFAOYSA-N 1 2 206.333 2.991 20 30 BFEDLO Cc1cnc(C#N)c(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213028858 964493570 /nfs/dbraw/zinc/49/35/70/964493570.db2.gz ZEMNKWPPHFVAGD-UHFFFAOYSA-N 1 2 249.277 2.882 20 30 BFEDLO CC(F)(F)CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001162230545 964886968 /nfs/dbraw/zinc/88/69/68/964886968.db2.gz KXYNEXAHCBPWHY-UHFFFAOYSA-N 1 2 237.253 2.704 20 30 BFEDLO C#CCCC1(CCNc2[nH+]ccc(F)c2C)N=N1 ZINC001163379709 965383536 /nfs/dbraw/zinc/38/35/36/965383536.db2.gz BXOORVYFPSTPKY-UHFFFAOYSA-N 1 2 246.289 2.907 20 30 BFEDLO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c(C#N)c1 ZINC001232963014 965444783 /nfs/dbraw/zinc/44/47/83/965444783.db2.gz XKNQADXRXAIWQC-RISCZKNCSA-N 1 2 232.302 2.657 20 30 BFEDLO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(C#N)c1 ZINC001232963014 965444789 /nfs/dbraw/zinc/44/47/89/965444789.db2.gz XKNQADXRXAIWQC-RISCZKNCSA-N 1 2 232.302 2.657 20 30 BFEDLO Cc1cccc(C[N@H+](C)Cc2[nH]ccc2C#N)c1 ZINC001233046149 965456336 /nfs/dbraw/zinc/45/63/36/965456336.db2.gz NVWRCLNWLJHINH-UHFFFAOYSA-N 1 2 239.322 2.827 20 30 BFEDLO Cc1cccc(C[N@@H+](C)Cc2[nH]ccc2C#N)c1 ZINC001233046149 965456342 /nfs/dbraw/zinc/45/63/42/965456342.db2.gz NVWRCLNWLJHINH-UHFFFAOYSA-N 1 2 239.322 2.827 20 30 BFEDLO CC1(Nc2cc(C3(C#N)CC3)cc[nH+]2)CCC1 ZINC001164030135 965701431 /nfs/dbraw/zinc/70/14/31/965701431.db2.gz QVHNCANJFGPXSI-UHFFFAOYSA-N 1 2 227.311 2.991 20 30 BFEDLO CNc1ccc(Nc2ccccc2C#N)c[nH+]1 ZINC001203454472 966225233 /nfs/dbraw/zinc/22/52/33/966225233.db2.gz FJERQMPNWWFBMO-UHFFFAOYSA-N 1 2 224.267 2.739 20 30 BFEDLO C[C@H]1CCCN(c2cc(CC#N)cc[nH+]2)[C@H]1C ZINC001166611267 966328041 /nfs/dbraw/zinc/32/80/41/966328041.db2.gz ISAHKXHNZIUGPO-RYUDHWBXSA-N 1 2 229.327 2.772 20 30 BFEDLO CN(Cc1ccsc1)c1cc(CC#N)cc[nH+]1 ZINC001166823257 966426262 /nfs/dbraw/zinc/42/62/62/966426262.db2.gz SCJRQVPABYDRID-UHFFFAOYSA-N 1 2 243.335 2.846 20 30 BFEDLO C#C[C@@H]1CCCN(c2cc(CSC)cc[nH+]2)C1 ZINC001167007851 966517650 /nfs/dbraw/zinc/51/76/50/966517650.db2.gz RMSYJUJSPXFLPJ-GFCCVEGCSA-N 1 2 246.379 2.794 20 30 BFEDLO C#Cc1cc(Nc2ccn(C(C)C)c2)cc[nH+]1 ZINC001203157419 966537625 /nfs/dbraw/zinc/53/76/25/966537625.db2.gz NWWGHNMMHFFFMW-UHFFFAOYSA-N 1 2 225.295 2.611 20 30 BFEDLO Cc1ccc(Nc2cc(F)cnc2C#N)c(C)[nH+]1 ZINC001203369248 966620150 /nfs/dbraw/zinc/62/01/50/966620150.db2.gz MROXCXUEQJBHGY-UHFFFAOYSA-N 1 2 242.257 2.848 20 30 BFEDLO C#Cc1cc(Nc2cn(C)c3ccccc23)cc[nH+]1 ZINC001203415762 966637108 /nfs/dbraw/zinc/63/71/08/966637108.db2.gz LPYIXKGBJUZLRN-UHFFFAOYSA-N 1 2 247.301 2.720 20 30 BFEDLO CNc1ccc(Nc2ccc(F)c(C#N)c2)c[nH+]1 ZINC001203455586 966658394 /nfs/dbraw/zinc/65/83/94/966658394.db2.gz VEAFIVYHRVZCGW-UHFFFAOYSA-N 1 2 242.257 2.878 20 30 BFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204303942 966962725 /nfs/dbraw/zinc/96/27/25/966962725.db2.gz UWWWRAAHSSTALO-AWEZNQCLSA-N 1 2 242.322 2.597 20 30 BFEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204303942 966962734 /nfs/dbraw/zinc/96/27/34/966962734.db2.gz UWWWRAAHSSTALO-AWEZNQCLSA-N 1 2 242.322 2.597 20 30 BFEDLO CCCOc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204306878 966965462 /nfs/dbraw/zinc/96/54/62/966965462.db2.gz BNQCKHIVRUNFRN-AWEZNQCLSA-N 1 2 244.338 2.821 20 30 BFEDLO CCCOc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204306878 966965463 /nfs/dbraw/zinc/96/54/63/966965463.db2.gz BNQCKHIVRUNFRN-AWEZNQCLSA-N 1 2 244.338 2.821 20 30 BFEDLO Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001204512620 967018750 /nfs/dbraw/zinc/01/87/50/967018750.db2.gz KPJGVVNTGXJMDY-LBPRGKRZSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1c(F)cccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001204512620 967018761 /nfs/dbraw/zinc/01/87/61/967018761.db2.gz KPJGVVNTGXJMDY-LBPRGKRZSA-N 1 2 232.302 2.870 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(F)cc(N(C)C)c1 ZINC001249953036 967197688 /nfs/dbraw/zinc/19/76/88/967197688.db2.gz LPSYZDMKJFOFFM-UHFFFAOYSA-N 1 2 249.333 2.627 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(F)cc(N(C)C)c1 ZINC001249953036 967197693 /nfs/dbraw/zinc/19/76/93/967197693.db2.gz LPSYZDMKJFOFFM-UHFFFAOYSA-N 1 2 249.333 2.627 20 30 BFEDLO Cc1cnc(Nc2ccn3cc[nH+]c3c2)c(C#N)c1 ZINC001204966466 967267440 /nfs/dbraw/zinc/26/74/40/967267440.db2.gz UIVCYFFCPKQWHR-UHFFFAOYSA-N 1 2 249.277 2.653 20 30 BFEDLO N#CCCCCc1ccc(N2CCCC2)[nH+]c1 ZINC001250065143 967329244 /nfs/dbraw/zinc/32/92/44/967329244.db2.gz GMWJIHSPWINBTA-UHFFFAOYSA-N 1 2 229.327 2.918 20 30 BFEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c1F ZINC001143175736 967781461 /nfs/dbraw/zinc/78/14/61/967781461.db2.gz HGNGGRKYJZWOKX-TVQRCGJNSA-N 1 2 248.276 2.821 20 30 BFEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]3C[C@H]32)c1F ZINC001143175736 967781468 /nfs/dbraw/zinc/78/14/68/967781468.db2.gz HGNGGRKYJZWOKX-TVQRCGJNSA-N 1 2 248.276 2.821 20 30 BFEDLO CNc1ccc(Nc2sccc2C#N)c[nH+]1 ZINC001203448972 967815242 /nfs/dbraw/zinc/81/52/42/967815242.db2.gz SUYSYQSTELPGEB-UHFFFAOYSA-N 1 2 230.296 2.800 20 30 BFEDLO C=CCCc1[nH+]c2ccc(OC)cc2n1C ZINC001250599315 968137218 /nfs/dbraw/zinc/13/72/18/968137218.db2.gz ZXXJKGCBBRIBPZ-UHFFFAOYSA-N 1 2 216.284 2.701 20 30 BFEDLO C#CCCc1[nH+]c2cc(C)ccc2n1CC ZINC001250606575 968155221 /nfs/dbraw/zinc/15/52/21/968155221.db2.gz SHLWFNSCYMXIJT-UHFFFAOYSA-N 1 2 212.296 2.930 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](CCCc2ccccc2F)C1 ZINC001207495214 968808318 /nfs/dbraw/zinc/80/83/18/968808318.db2.gz VGLWVWTUVZLKAD-CYBMUJFWSA-N 1 2 246.329 2.994 20 30 BFEDLO N#C[C@H]1CCC[N@H+](CCCc2ccccc2F)C1 ZINC001207495214 968808323 /nfs/dbraw/zinc/80/83/23/968808323.db2.gz VGLWVWTUVZLKAD-CYBMUJFWSA-N 1 2 246.329 2.994 20 30 BFEDLO CC(C)Oc1cc[nH+]c(NC2=CC(=O)CCC2)c1 ZINC001155708258 969075790 /nfs/dbraw/zinc/07/57/90/969075790.db2.gz DPCCWEBUWTVRAM-UHFFFAOYSA-N 1 2 246.310 2.918 20 30 BFEDLO CCC[N@H+](CCC#N)C[C@@H](C)C(F)(F)F ZINC001208892281 969280363 /nfs/dbraw/zinc/28/03/63/969280363.db2.gz BPCXWQOICPWFFO-SECBINFHSA-N 1 2 222.254 2.810 20 30 BFEDLO CCC[N@@H+](CCC#N)C[C@@H](C)C(F)(F)F ZINC001208892281 969280371 /nfs/dbraw/zinc/28/03/71/969280371.db2.gz BPCXWQOICPWFFO-SECBINFHSA-N 1 2 222.254 2.810 20 30 BFEDLO C=CCCCCC[N@@H+]1Cc2cncnc2C1 ZINC001209423394 969493134 /nfs/dbraw/zinc/49/31/34/969493134.db2.gz NZARTVHMZJVRNK-UHFFFAOYSA-N 1 2 217.316 2.539 20 30 BFEDLO C=CCCCCC[N@H+]1Cc2cncnc2C1 ZINC001209423394 969493139 /nfs/dbraw/zinc/49/31/39/969493139.db2.gz NZARTVHMZJVRNK-UHFFFAOYSA-N 1 2 217.316 2.539 20 30 BFEDLO Cc1ccc2[nH]cc(C[N@H+](C)CCC#N)c2c1 ZINC001209489770 969525645 /nfs/dbraw/zinc/52/56/45/969525645.db2.gz LXAFXCVAUDLEMJ-UHFFFAOYSA-N 1 2 227.311 2.822 20 30 BFEDLO Cc1ccc2[nH]cc(C[N@@H+](C)CCC#N)c2c1 ZINC001209489770 969525647 /nfs/dbraw/zinc/52/56/47/969525647.db2.gz LXAFXCVAUDLEMJ-UHFFFAOYSA-N 1 2 227.311 2.822 20 30 BFEDLO C=CC[N@@H+](Cc1cn[nH]c1C)C(C)(C)C ZINC001209558504 969541824 /nfs/dbraw/zinc/54/18/24/969541824.db2.gz KKJQTAKBNYZPMB-UHFFFAOYSA-N 1 2 207.321 2.505 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692643 969575761 /nfs/dbraw/zinc/57/57/61/969575761.db2.gz SHUXJUSQTMSSNX-JTQLQIEISA-N 1 2 243.285 2.652 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692643 969575767 /nfs/dbraw/zinc/57/57/67/969575767.db2.gz SHUXJUSQTMSSNX-JTQLQIEISA-N 1 2 243.285 2.652 20 30 BFEDLO CC[C@@](C)(C#N)[NH2+]C1CCC2(CC2)CC1 ZINC001254436124 969623486 /nfs/dbraw/zinc/62/34/86/969623486.db2.gz OTONXLGDWPEOLI-LBPRGKRZSA-N 1 2 206.333 2.991 20 30 BFEDLO Cc1cn2c(cccc2Nc2cncc(C#N)c2)[nH+]1 ZINC001210082914 969790592 /nfs/dbraw/zinc/79/05/92/969790592.db2.gz GXXMMPUNEWIBNU-UHFFFAOYSA-N 1 2 249.277 2.653 20 30 BFEDLO C#C[C@@](C)(CC)Nc1[nH+]cc(OC)c2cc[nH]c21 ZINC001169692108 969814397 /nfs/dbraw/zinc/81/43/97/969814397.db2.gz KQSGDILJVKEAHG-AWEZNQCLSA-N 1 2 243.310 2.785 20 30 BFEDLO C#Cc1cc(Nc2cccc(Cl)c2O)cc[nH+]1 ZINC001210217413 969836223 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228.295 2.790 20 30 BFEDLO CC1(C)C[C@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001255526975 970289032 /nfs/dbraw/zinc/28/90/32/970289032.db2.gz JIJXTJGDYHLFKF-GFCCVEGCSA-N 1 2 236.359 2.760 20 30 BFEDLO Cc1cc(C)c(Nc2cccc(C#N)n2)c[nH+]1 ZINC001213505440 970332233 /nfs/dbraw/zinc/33/22/33/970332233.db2.gz GFZZSPDMEHODCK-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO Cc1c[nH+]cc(Nc2ccc(C#N)nc2)c1C ZINC001213525443 970345534 /nfs/dbraw/zinc/34/55/34/970345534.db2.gz XDERFTGUPZAMNX-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO CC[C@H](C#N)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255697977 970457978 /nfs/dbraw/zinc/45/79/78/970457978.db2.gz VDNSHDWZRGRQMR-IVZWLZJFSA-N 1 2 234.265 2.999 20 30 BFEDLO CC[C@@H]1C[C@H]([NH2+]C(C#N)(CC)CC)CCO1 ZINC001170190769 970563970 /nfs/dbraw/zinc/56/39/70/970563970.db2.gz HDVZEYRGUOJWIO-VXGBXAGGSA-N 1 2 224.348 2.616 20 30 BFEDLO C=CCCCNc1c[nH+]c2c(c1)CCC2 ZINC001170299633 970679087 /nfs/dbraw/zinc/67/90/87/970679087.db2.gz IKZRDJBJHUFOSB-UHFFFAOYSA-N 1 2 202.301 2.948 20 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C=CCOC1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001173315037 975304723 /nfs/dbraw/zinc/30/47/23/975304723.db2.gz FVTHYFSQUXXHMT-UHFFFAOYSA-N 1 2 248.370 2.926 20 30 BFEDLO C#CC[C@H](CC)Oc1c(C)cc[nH+]c1C ZINC001227264455 975340385 /nfs/dbraw/zinc/34/03/85/975340385.db2.gz METRXFYUOQHIGM-LBPRGKRZSA-N 1 2 203.285 2.879 20 30 BFEDLO CC1(C#N)CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001173588960 975430642 /nfs/dbraw/zinc/43/06/42/975430642.db2.gz OWUXJYWRJPVICV-UHFFFAOYSA-N 1 2 231.343 2.885 20 30 BFEDLO CC1(C#N)CCC([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001173600033 975468637 /nfs/dbraw/zinc/46/86/37/975468637.db2.gz VBRUQZVVGPHAQU-ROKHWSDSSA-N 1 2 231.343 2.837 20 30 BFEDLO CC1(C#N)CCC([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001173600033 975468668 /nfs/dbraw/zinc/46/86/68/975468668.db2.gz VBRUQZVVGPHAQU-ROKHWSDSSA-N 1 2 231.343 2.837 20 30 BFEDLO C#Cc1cc(Nc2ccccc2OCC)cc[nH+]1 ZINC001173848378 975753077 /nfs/dbraw/zinc/75/30/77/975753077.db2.gz UUXUWEQUWLVZML-UHFFFAOYSA-N 1 2 238.290 2.627 20 30 BFEDLO CC(C)c1ocnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001333605895 975887519 /nfs/dbraw/zinc/88/75/19/975887519.db2.gz QZJYGUIKUQINHH-LBPRGKRZSA-N 1 2 247.342 2.924 20 30 BFEDLO CC(C)c1ocnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001333605895 975887521 /nfs/dbraw/zinc/88/75/21/975887521.db2.gz QZJYGUIKUQINHH-LBPRGKRZSA-N 1 2 247.342 2.924 20 30 BFEDLO CC[C@H]1CCCC[C@@H]1C=[NH+]n1nnc(C)c1C ZINC001333641880 975917549 /nfs/dbraw/zinc/91/75/49/975917549.db2.gz DNWDNNYXACQLPK-QWHCGFSZSA-N 1 2 234.347 2.945 20 30 BFEDLO C#Cc1cc(Nc2cc(F)ccc2F)cc[nH+]1 ZINC001173948914 976099993 /nfs/dbraw/zinc/09/99/93/976099993.db2.gz XVNDVHRLQUGHBW-UHFFFAOYSA-N 1 2 230.217 2.507 20 30 BFEDLO C#Cc1cc(Nc2ccc(C)cc2C)cc[nH+]1 ZINC001174013489 976185597 /nfs/dbraw/zinc/18/55/97/976185597.db2.gz QYHLTXRTLOVUPU-UHFFFAOYSA-N 1 2 222.291 2.845 20 30 BFEDLO C#Cc1cc(Nc2ccc(OC)cc2C)cc[nH+]1 ZINC001174021836 976226117 /nfs/dbraw/zinc/22/61/17/976226117.db2.gz FAGZWNVNMIAUBM-UHFFFAOYSA-N 1 2 238.290 2.545 20 30 BFEDLO C#Cc1cc(Nc2cc(C)cc(F)c2)cc[nH+]1 ZINC001174528035 976805810 /nfs/dbraw/zinc/80/58/10/976805810.db2.gz UDHRBOQOJKFFAN-UHFFFAOYSA-N 1 2 226.254 2.676 20 30 BFEDLO C#Cc1cc(Nc2ccc(F)c(C)c2)cc[nH+]1 ZINC001175248746 977342222 /nfs/dbraw/zinc/34/22/22/977342222.db2.gz JWXKMQCXPJJHKS-UHFFFAOYSA-N 1 2 226.254 2.676 20 30 BFEDLO C[C@@H](CS)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231083662 977470469 /nfs/dbraw/zinc/47/04/69/977470469.db2.gz FTJSHIRJWHRUCQ-VIFPVBQESA-N 1 2 234.324 2.774 20 30 BFEDLO C#C[C@@H](CC)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082323 977474531 /nfs/dbraw/zinc/47/45/31/977474531.db2.gz UTSKOQSATKUVLZ-LBPRGKRZSA-N 1 2 226.279 2.867 20 30 BFEDLO C#Cc1cc(Nc2cccc3c2ccn3C)cc[nH+]1 ZINC001175862437 977791162 /nfs/dbraw/zinc/79/11/62/977791162.db2.gz IIHJPIKGOBUJFH-UHFFFAOYSA-N 1 2 247.301 2.720 20 30 BFEDLO C#C[C@H]1CCCCN1c1cc(F)cc(C)[nH+]1 ZINC001336736903 977898175 /nfs/dbraw/zinc/89/81/75/977898175.db2.gz SJABIZGOQDLWBQ-LBPRGKRZSA-N 1 2 218.275 2.521 20 30 BFEDLO CC(C)(C)c1cc(C[NH+]2CC(CC#N)C2)ccn1 ZINC001232213458 977942560 /nfs/dbraw/zinc/94/25/60/977942560.db2.gz VJBNPMXDCJNQHT-UHFFFAOYSA-N 1 2 243.354 2.725 20 30 BFEDLO C#Cc1ccc(Nc2c[nH+]ccc2OC)cc1 ZINC001176124867 977958525 /nfs/dbraw/zinc/95/85/25/977958525.db2.gz RDWNWTYJPMXTLY-UHFFFAOYSA-N 1 2 224.263 2.815 20 30 BFEDLO C#Cc1ccccc1Nc1c[nH+]ccc1OC ZINC001176124424 977958810 /nfs/dbraw/zinc/95/88/10/977958810.db2.gz NMQTVLZYSPMGMZ-UHFFFAOYSA-N 1 2 224.263 2.815 20 30 BFEDLO CCc1csc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001232473589 978122292 /nfs/dbraw/zinc/12/22/92/978122292.db2.gz YHPZHUNDGVJPRW-NSHDSACASA-N 1 2 249.383 2.831 20 30 BFEDLO CCc1csc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001232473589 978122297 /nfs/dbraw/zinc/12/22/97/978122297.db2.gz YHPZHUNDGVJPRW-NSHDSACASA-N 1 2 249.383 2.831 20 30 BFEDLO C[C@@H]1CCCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673769 978236368 /nfs/dbraw/zinc/23/63/68/978236368.db2.gz MZNRJTRKWDYZEC-GFCCVEGCSA-N 1 2 244.338 2.886 20 30 BFEDLO C[C@@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673769 978236378 /nfs/dbraw/zinc/23/63/78/978236378.db2.gz MZNRJTRKWDYZEC-GFCCVEGCSA-N 1 2 244.338 2.886 20 30 BFEDLO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232679612 978241860 /nfs/dbraw/zinc/24/18/60/978241860.db2.gz ORWBGLHHMQGAAE-NWDGAFQWSA-N 1 2 244.338 2.884 20 30 BFEDLO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232679612 978241874 /nfs/dbraw/zinc/24/18/74/978241874.db2.gz ORWBGLHHMQGAAE-NWDGAFQWSA-N 1 2 244.338 2.884 20 30 BFEDLO CCc1ccc(N2CCC(C)(C#N)CC2)[nH+]c1 ZINC001337918157 978562988 /nfs/dbraw/zinc/56/29/88/978562988.db2.gz ZJSNSOJELBUCQM-UHFFFAOYSA-N 1 2 229.327 2.774 20 30 BFEDLO C=CC[N@@H+](Cc1c(Cl)ncn1CC)C(C)C ZINC001179997831 978804855 /nfs/dbraw/zinc/80/48/55/978804855.db2.gz YKYABPLIIWORPB-UHFFFAOYSA-N 1 2 241.766 2.953 20 30 BFEDLO C=CC[N@H+](Cc1c(Cl)ncn1CC)C(C)C ZINC001179997831 978804860 /nfs/dbraw/zinc/80/48/60/978804860.db2.gz YKYABPLIIWORPB-UHFFFAOYSA-N 1 2 241.766 2.953 20 30 BFEDLO C=C1CC[NH+](Cc2ncoc2C(C)C)CC1 ZINC001341633720 979500729 /nfs/dbraw/zinc/50/07/29/979500729.db2.gz OUKTWZNUWVXEFN-UHFFFAOYSA-N 1 2 220.316 2.950 20 30 BFEDLO CC#CCN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001186593290 980417164 /nfs/dbraw/zinc/41/71/64/980417164.db2.gz DJGDFPJWOWECHD-UHFFFAOYSA-N 1 2 229.327 2.512 20 30 BFEDLO C=C[C@H](CC)CC(=O)OCc1c[nH+]cn1CC ZINC001344970802 980508961 /nfs/dbraw/zinc/50/89/61/980508961.db2.gz DNIQDYCPEFUJFP-LLVKDONJSA-N 1 2 236.315 2.549 20 30 BFEDLO Cc1ccc(-c2cc(F)c(C#N)c(F)c2)[nH+]c1N ZINC001239918754 981032632 /nfs/dbraw/zinc/03/26/32/981032632.db2.gz OAJNPNNXOCDVMH-UHFFFAOYSA-N 1 2 245.232 2.789 20 30 BFEDLO C=C(Cl)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001347447711 981080986 /nfs/dbraw/zinc/08/09/86/981080986.db2.gz TUORDVUPRRNHKE-UHFFFAOYSA-N 1 2 249.741 2.992 20 30 BFEDLO C=C(Cl)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001347447711 981080994 /nfs/dbraw/zinc/08/09/94/981080994.db2.gz TUORDVUPRRNHKE-UHFFFAOYSA-N 1 2 249.741 2.992 20 30 BFEDLO 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CC#CC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000293201497 136229593 /nfs/dbraw/zinc/22/95/93/136229593.db2.gz QUNRIJGVYSSTJY-UHFFFAOYSA-N 1 2 240.306 2.797 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000293201497 136229594 /nfs/dbraw/zinc/22/95/94/136229594.db2.gz QUNRIJGVYSSTJY-UHFFFAOYSA-N 1 2 240.306 2.797 20 30 BFEDLO COc1cccc(C)c1C[N@H+](C)C[C@H](C)C#N ZINC000602446977 349547805 /nfs/dbraw/zinc/54/78/05/349547805.db2.gz JKIRIBUGENBPSE-LLVKDONJSA-N 1 2 232.327 2.595 20 30 BFEDLO COc1cccc(C)c1C[N@@H+](C)C[C@H](C)C#N ZINC000602446977 349547806 /nfs/dbraw/zinc/54/78/06/349547806.db2.gz JKIRIBUGENBPSE-LLVKDONJSA-N 1 2 232.327 2.595 20 30 BFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cnc(C)nc1C ZINC000602447745 349548271 /nfs/dbraw/zinc/54/82/71/349548271.db2.gz PADFMFNSMXPMTN-JQWIXIFHSA-N 1 2 246.358 2.636 20 30 BFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cnc(C)nc1C ZINC000602447745 349548275 /nfs/dbraw/zinc/54/82/75/349548275.db2.gz PADFMFNSMXPMTN-JQWIXIFHSA-N 1 2 246.358 2.636 20 30 BFEDLO N#CCCC1CCN(c2cccc[nH+]2)CC1 ZINC000335381202 136234949 /nfs/dbraw/zinc/23/49/49/136234949.db2.gz UZINYDZDRYWUHQ-UHFFFAOYSA-N 1 2 215.300 2.602 20 30 BFEDLO Cc1[nH]c(CN(CCC#N)CC(C)(C)C)[nH+]c1C ZINC000600118546 342674855 /nfs/dbraw/zinc/67/48/55/342674855.db2.gz YDCRBYONLKTYBI-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO Cc1ccc(NC2CCC(C#N)CC2)c[nH+]1 ZINC000602574833 349624115 /nfs/dbraw/zinc/62/41/15/349624115.db2.gz DTSUSTGPJLQTKX-UHFFFAOYSA-N 1 2 215.300 2.884 20 30 BFEDLO Cc1[nH+]cccc1NC1CCC(C#N)CC1 ZINC000602573938 349622932 /nfs/dbraw/zinc/62/29/32/349622932.db2.gz BPNFEBUWFLNRDZ-UHFFFAOYSA-N 1 2 215.300 2.884 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1noc(C2CCC2)n1 ZINC000625063537 342847570 /nfs/dbraw/zinc/84/75/70/342847570.db2.gz QNIVKRSAKHUGKJ-UHFFFAOYSA-N 1 2 235.331 2.735 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1noc(C2CCC2)n1 ZINC000625063537 342847571 /nfs/dbraw/zinc/84/75/71/342847571.db2.gz QNIVKRSAKHUGKJ-UHFFFAOYSA-N 1 2 235.331 2.735 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)sn1 ZINC000602611066 349634474 /nfs/dbraw/zinc/63/44/74/349634474.db2.gz UXAMVMSOPPXDPQ-GFCCVEGCSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)sn1 ZINC000602611066 349634479 /nfs/dbraw/zinc/63/44/79/349634479.db2.gz UXAMVMSOPPXDPQ-GFCCVEGCSA-N 1 2 235.356 2.577 20 30 BFEDLO C=C(C)C[C@H]([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000602732508 349717997 /nfs/dbraw/zinc/71/79/97/349717997.db2.gz QSSVRLYQWUUJFO-AWEZNQCLSA-N 1 2 247.338 2.592 20 30 BFEDLO COCc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000354025984 536765224 /nfs/dbraw/zinc/76/52/24/536765224.db2.gz LPYKGNIVOCEIFH-NSHDSACASA-N 1 2 248.326 2.550 20 30 BFEDLO COCc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000354025984 536765227 /nfs/dbraw/zinc/76/52/27/536765227.db2.gz LPYKGNIVOCEIFH-NSHDSACASA-N 1 2 248.326 2.550 20 30 BFEDLO N#CCC1(C[N@@H+]2Cc3cccc(F)c3C2)CC1 ZINC000602841795 349780121 /nfs/dbraw/zinc/78/01/21/349780121.db2.gz UNRLQRXJIAVHJB-UHFFFAOYSA-N 1 2 230.286 2.835 20 30 BFEDLO N#CCC1(C[N@H+]2Cc3cccc(F)c3C2)CC1 ZINC000602841795 349780123 /nfs/dbraw/zinc/78/01/23/349780123.db2.gz UNRLQRXJIAVHJB-UHFFFAOYSA-N 1 2 230.286 2.835 20 30 BFEDLO Cc1cc(C[N@H+](C)CCC#N)c(C)s1 ZINC000177180510 346923470 /nfs/dbraw/zinc/92/34/70/346923470.db2.gz CHACLKTWUWGXFT-UHFFFAOYSA-N 1 2 208.330 2.710 20 30 BFEDLO Cc1cc(C[N@@H+](C)CCC#N)c(C)s1 ZINC000177180510 346923473 /nfs/dbraw/zinc/92/34/73/346923473.db2.gz CHACLKTWUWGXFT-UHFFFAOYSA-N 1 2 208.330 2.710 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)CCc1c(F)cccc1F ZINC000402807598 343116800 /nfs/dbraw/zinc/11/68/00/343116800.db2.gz JIUDKOUNYMKXPN-SNVBAGLBSA-N 1 2 238.281 2.741 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)CCc1c(F)cccc1F ZINC000402807598 343116801 /nfs/dbraw/zinc/11/68/01/343116801.db2.gz JIUDKOUNYMKXPN-SNVBAGLBSA-N 1 2 238.281 2.741 20 30 BFEDLO C[C@@H](CC#N)[NH2+]CC#Cc1ccccc1Cl ZINC000602868710 349799906 /nfs/dbraw/zinc/79/99/06/349799906.db2.gz KWCOGSPJHYTJOW-NSHDSACASA-N 1 2 232.714 2.583 20 30 BFEDLO Cc1ccc2sc(C[NH2+][C@@H](C)CC#N)nc2c1 ZINC000602870517 349801544 /nfs/dbraw/zinc/80/15/44/349801544.db2.gz MNJXGVQRYOAWSY-JTQLQIEISA-N 1 2 245.351 2.997 20 30 BFEDLO COc1ccc(Cl)c(C[NH2+][C@@H](C)CC#N)c1 ZINC000602871443 349802474 /nfs/dbraw/zinc/80/24/74/349802474.db2.gz RIASGKPGRCYMCB-VIFPVBQESA-N 1 2 238.718 2.740 20 30 BFEDLO C[C@H](Cc1ccccc1)C[N@H+](CC#N)C1CC1 ZINC000273204221 136283678 /nfs/dbraw/zinc/28/36/78/136283678.db2.gz LVDDYJCPFBMOPT-CYBMUJFWSA-N 1 2 228.339 2.853 20 30 BFEDLO C[C@H](Cc1ccccc1)C[N@@H+](CC#N)C1CC1 ZINC000273204221 136283679 /nfs/dbraw/zinc/28/36/79/136283679.db2.gz LVDDYJCPFBMOPT-CYBMUJFWSA-N 1 2 228.339 2.853 20 30 BFEDLO CCC(CC)n1ccc(C[NH2+][C@H](C)CC#N)n1 ZINC000602870662 349801879 /nfs/dbraw/zinc/80/18/79/349801879.db2.gz VDAOOGHYGJUUTL-LLVKDONJSA-N 1 2 234.347 2.636 20 30 BFEDLO CC[C@@H](CC#N)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287553245 136287817 /nfs/dbraw/zinc/28/78/17/136287817.db2.gz PBSDOECZPMZGET-NSHDSACASA-N 1 2 246.314 2.512 20 30 BFEDLO Cc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000251002883 343419823 /nfs/dbraw/zinc/41/98/23/343419823.db2.gz MXQWMXVFZPWCPY-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000251002883 343419824 /nfs/dbraw/zinc/41/98/24/343419824.db2.gz MXQWMXVFZPWCPY-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO C#CCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292708271 136375700 /nfs/dbraw/zinc/37/57/00/136375700.db2.gz LIVGOBPHULZTMX-NSHDSACASA-N 1 2 209.239 2.606 20 30 BFEDLO CC1(C)C[N@H+](CC2(C#N)CC2)[C@H]1c1ccco1 ZINC000602928085 349821590 /nfs/dbraw/zinc/82/15/90/349821590.db2.gz WZZZHHVNEARZLS-LBPRGKRZSA-N 1 2 230.311 2.966 20 30 BFEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)[C@H]1c1ccco1 ZINC000602928085 349821593 /nfs/dbraw/zinc/82/15/93/349821593.db2.gz WZZZHHVNEARZLS-LBPRGKRZSA-N 1 2 230.311 2.966 20 30 BFEDLO CCc1nc(C)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)o1 ZINC000602982223 349833663 /nfs/dbraw/zinc/83/36/63/349833663.db2.gz PEYDDZGJTUOIIT-NEPJUHHUSA-N 1 2 247.342 2.670 20 30 BFEDLO CCc1nc(C)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)o1 ZINC000602982223 349833665 /nfs/dbraw/zinc/83/36/65/349833665.db2.gz PEYDDZGJTUOIIT-NEPJUHHUSA-N 1 2 247.342 2.670 20 30 BFEDLO CCc1nc(C)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)o1 ZINC000602982225 349834161 /nfs/dbraw/zinc/83/41/61/349834161.db2.gz PEYDDZGJTUOIIT-RYUDHWBXSA-N 1 2 247.342 2.670 20 30 BFEDLO CCc1nc(C)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)o1 ZINC000602982225 349834164 /nfs/dbraw/zinc/83/41/64/349834164.db2.gz PEYDDZGJTUOIIT-RYUDHWBXSA-N 1 2 247.342 2.670 20 30 BFEDLO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)s1 ZINC000602978138 349842439 /nfs/dbraw/zinc/84/24/39/349842439.db2.gz MEBVFCLDGAAPCO-RYUDHWBXSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nc(C)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)s1 ZINC000602978138 349842441 /nfs/dbraw/zinc/84/24/41/349842441.db2.gz MEBVFCLDGAAPCO-RYUDHWBXSA-N 1 2 249.383 2.884 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)C/C=C\c1ccccc1 ZINC000214058779 343701881 /nfs/dbraw/zinc/70/18/81/343701881.db2.gz ULEWIFOAKGAANQ-OYVUYXNMSA-N 1 2 214.312 2.934 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)C/C=C\c1ccccc1 ZINC000214058779 343701882 /nfs/dbraw/zinc/70/18/82/343701882.db2.gz ULEWIFOAKGAANQ-OYVUYXNMSA-N 1 2 214.312 2.934 20 30 BFEDLO Cc1cccnc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980505 349845940 /nfs/dbraw/zinc/84/59/40/349845940.db2.gz QSZONQDDGTXBSZ-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccnc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980505 349845943 /nfs/dbraw/zinc/84/59/43/349845943.db2.gz QSZONQDDGTXBSZ-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000617040119 537812845 /nfs/dbraw/zinc/81/28/45/537812845.db2.gz PRSPFUPDSMGNGD-NWDGAFQWSA-N 1 2 247.342 2.583 20 30 BFEDLO Cn1cc[nH+]c1CSc1cccc(C#N)c1 ZINC000334570117 343892227 /nfs/dbraw/zinc/89/22/27/343892227.db2.gz WKFWFAKSTYPZPO-UHFFFAOYSA-N 1 2 229.308 2.584 20 30 BFEDLO COc1ccc(NCc2ccc(C#N)cc2)[nH+]c1 ZINC000225894791 347009501 /nfs/dbraw/zinc/00/95/01/347009501.db2.gz YDKLLZKTRAFSFF-UHFFFAOYSA-N 1 2 239.278 2.574 20 30 BFEDLO C=CC[C@H]1CC[N@@H+](Cc2nnsc2Cl)C1 ZINC000625702743 344047034 /nfs/dbraw/zinc/04/70/34/344047034.db2.gz ISCWCVADYIKHIH-QMMMGPOBSA-N 1 2 243.763 2.590 20 30 BFEDLO C=CC[C@H]1CC[N@H+](Cc2nnsc2Cl)C1 ZINC000625702743 344047037 /nfs/dbraw/zinc/04/70/37/344047037.db2.gz ISCWCVADYIKHIH-QMMMGPOBSA-N 1 2 243.763 2.590 20 30 BFEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625704735 344049790 /nfs/dbraw/zinc/04/97/90/344049790.db2.gz JEKGPSZNKRPGAK-LLVKDONJSA-N 1 2 247.342 2.735 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625704735 344049792 /nfs/dbraw/zinc/04/97/92/344049792.db2.gz JEKGPSZNKRPGAK-LLVKDONJSA-N 1 2 247.342 2.735 20 30 BFEDLO C=C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000130652776 344223286 /nfs/dbraw/zinc/22/32/86/344223286.db2.gz SPYFBLLRLYSHNX-VIFPVBQESA-N 1 2 205.305 2.895 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(F)cc1 ZINC000042375304 344452025 /nfs/dbraw/zinc/45/20/25/344452025.db2.gz VDITZFBPFIWZKL-SNVBAGLBSA-N 1 2 206.264 2.560 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(F)cc1 ZINC000042375304 344452026 /nfs/dbraw/zinc/45/20/26/344452026.db2.gz VDITZFBPFIWZKL-SNVBAGLBSA-N 1 2 206.264 2.560 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1ccsc1)C1CC1 ZINC000042468160 344456095 /nfs/dbraw/zinc/45/60/95/344456095.db2.gz KRSWJHWTUPZANJ-SNVBAGLBSA-N 1 2 220.341 2.872 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1ccsc1)C1CC1 ZINC000042468160 344456097 /nfs/dbraw/zinc/45/60/97/344456097.db2.gz KRSWJHWTUPZANJ-SNVBAGLBSA-N 1 2 220.341 2.872 20 30 BFEDLO Cc1nc2c(s1)[C@H]([N@H+](C)CCC#N)CCC2 ZINC000111313283 344587894 /nfs/dbraw/zinc/58/78/94/344587894.db2.gz GUCLVQUTZXLUAN-LLVKDONJSA-N 1 2 235.356 2.674 20 30 BFEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)CCC#N)CCC2 ZINC000111313283 344587896 /nfs/dbraw/zinc/58/78/96/344587896.db2.gz GUCLVQUTZXLUAN-LLVKDONJSA-N 1 2 235.356 2.674 20 30 BFEDLO C=CCCCN(C)c1[nH+]c2ccccc2n1C ZINC000179299458 344705601 /nfs/dbraw/zinc/70/56/01/344705601.db2.gz NOCDRALXEWSCFJ-UHFFFAOYSA-N 1 2 229.327 2.976 20 30 BFEDLO C[C@H]1CC[N@H+](CCC#N)[C@H](c2ccco2)C1 ZINC000076184278 344799355 /nfs/dbraw/zinc/79/93/55/344799355.db2.gz DWZTYLZIPBKUBP-RYUDHWBXSA-N 1 2 218.300 2.966 20 30 BFEDLO C[C@H]1CC[N@@H+](CCC#N)[C@H](c2ccco2)C1 ZINC000076184278 344799357 /nfs/dbraw/zinc/79/93/57/344799357.db2.gz DWZTYLZIPBKUBP-RYUDHWBXSA-N 1 2 218.300 2.966 20 30 BFEDLO C=CC[N@@H+](Cc1nc(C)c[nH]1)Cc1ccccc1 ZINC000628140529 344805488 /nfs/dbraw/zinc/80/54/88/344805488.db2.gz NZNJSEDHAAKXFA-UHFFFAOYSA-N 1 2 241.338 2.906 20 30 BFEDLO C=CC[N@H+](Cc1nc(C)c[nH]1)Cc1ccccc1 ZINC000628140529 344805489 /nfs/dbraw/zinc/80/54/89/344805489.db2.gz NZNJSEDHAAKXFA-UHFFFAOYSA-N 1 2 241.338 2.906 20 30 BFEDLO CC[C@H](Cc1ccccc1)[N@H+](CC)CC#N ZINC000120498885 344892071 /nfs/dbraw/zinc/89/20/71/344892071.db2.gz WNALLVBCDMXKKX-CQSZACIVSA-N 1 2 216.328 2.853 20 30 BFEDLO CC[C@H](Cc1ccccc1)[N@@H+](CC)CC#N ZINC000120498885 344892074 /nfs/dbraw/zinc/89/20/74/344892074.db2.gz WNALLVBCDMXKKX-CQSZACIVSA-N 1 2 216.328 2.853 20 30 BFEDLO CC(C)(C#N)CC[N@H+](CC#N)C1CCCC1 ZINC000087592201 534986269 /nfs/dbraw/zinc/98/62/69/534986269.db2.gz NPOORYSLNCVKLX-UHFFFAOYSA-N 1 2 219.332 2.694 20 30 BFEDLO CC(C)(C#N)CC[N@@H+](CC#N)C1CCCC1 ZINC000087592201 534986273 /nfs/dbraw/zinc/98/62/73/534986273.db2.gz NPOORYSLNCVKLX-UHFFFAOYSA-N 1 2 219.332 2.694 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1F ZINC000641668126 362590415 /nfs/dbraw/zinc/59/04/15/362590415.db2.gz KXCPLANISTYVJA-PHIMTYICSA-N 1 2 218.275 2.908 20 30 BFEDLO C=CCCCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000081001628 345458353 /nfs/dbraw/zinc/45/83/53/345458353.db2.gz GNTNZQRJAYHQFC-UHFFFAOYSA-N 1 2 230.315 2.669 20 30 BFEDLO Cc1cccc(C2=CC[N@H+](CCC#N)CC2)c1 ZINC000092821829 345644244 /nfs/dbraw/zinc/64/42/44/345644244.db2.gz JDCLHCNPDHBGID-UHFFFAOYSA-N 1 2 226.323 2.998 20 30 BFEDLO Cc1cccc(C2=CC[N@@H+](CCC#N)CC2)c1 ZINC000092821829 345644246 /nfs/dbraw/zinc/64/42/46/345644246.db2.gz JDCLHCNPDHBGID-UHFFFAOYSA-N 1 2 226.323 2.998 20 30 BFEDLO C[N@H+](CCC(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000249961232 362638096 /nfs/dbraw/zinc/63/80/96/362638096.db2.gz DBAGZHUIWAPSNT-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO C[N@@H+](CCC(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000249961232 362638102 /nfs/dbraw/zinc/63/81/02/362638102.db2.gz DBAGZHUIWAPSNT-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO N#C[C@@H](Sc1[nH+]cc2ccccn21)C1CC1 ZINC000601072457 346013197 /nfs/dbraw/zinc/01/31/97/346013197.db2.gz KFEKNCYZNOSQFS-LLVKDONJSA-N 1 2 229.308 2.729 20 30 BFEDLO C=C[C@@H]1CCCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC000628254046 346235096 /nfs/dbraw/zinc/23/50/96/346235096.db2.gz JXGSDMMBJSTEGN-GFCCVEGCSA-N 1 2 219.332 2.567 20 30 BFEDLO CO[C@H](CC(C)C)C[N@H+](CC#N)C1CCCC1 ZINC000419205475 192104147 /nfs/dbraw/zinc/10/41/47/192104147.db2.gz LBNLWJHTUBBXNC-CQSZACIVSA-N 1 2 238.375 2.816 20 30 BFEDLO CO[C@H](CC(C)C)C[N@@H+](CC#N)C1CCCC1 ZINC000419205475 192104148 /nfs/dbraw/zinc/10/41/48/192104148.db2.gz LBNLWJHTUBBXNC-CQSZACIVSA-N 1 2 238.375 2.816 20 30 BFEDLO Cc1nsc(C)c1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000580208840 346673401 /nfs/dbraw/zinc/67/34/01/346673401.db2.gz OUDGBTHCDWGHHR-VIFPVBQESA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nsc(C)c1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000580208840 346673406 /nfs/dbraw/zinc/67/34/06/346673406.db2.gz OUDGBTHCDWGHHR-VIFPVBQESA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1cc(C#N)ccc1COc1cc[nH+]cc1 ZINC000590063044 346769804 /nfs/dbraw/zinc/76/98/04/346769804.db2.gz ILRSNLUFZOOJPV-UHFFFAOYSA-N 1 2 224.263 2.841 20 30 BFEDLO C[C@@H](CCC#N)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000589822196 346739565 /nfs/dbraw/zinc/73/95/65/346739565.db2.gz KPXXTNULKWIAIC-STQMWFEESA-N 1 2 233.359 2.940 20 30 BFEDLO C[C@@H](CCC#N)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000589822196 346739567 /nfs/dbraw/zinc/73/95/67/346739567.db2.gz KPXXTNULKWIAIC-STQMWFEESA-N 1 2 233.359 2.940 20 30 BFEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000183329940 347125196 /nfs/dbraw/zinc/12/51/96/347125196.db2.gz IXKVVSGDVSKUIB-LLVKDONJSA-N 1 2 247.298 2.637 20 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Cc1cc(N2CCC(C3CC3)CC2)c(C#N)c[nH+]1 ZINC000591825116 347702060 /nfs/dbraw/zinc/70/20/60/347702060.db2.gz BAFJPXHAZURGIM-UHFFFAOYSA-N 1 2 241.338 2.888 20 30 BFEDLO Cc1cc(F)c(C[NH2+]C[C@H](C)C#N)c(F)c1 ZINC000591837209 347703812 /nfs/dbraw/zinc/70/38/12/347703812.db2.gz PQDKRGNBDFWLSG-SECBINFHSA-N 1 2 224.254 2.523 20 30 BFEDLO CC[N@H+](Cc1ccoc1)Cc1ccncc1C#N ZINC000592067181 347726836 /nfs/dbraw/zinc/72/68/36/347726836.db2.gz QRJOISMLJVXOTP-UHFFFAOYSA-N 1 2 241.294 2.568 20 30 BFEDLO CC[N@@H+](Cc1ccoc1)Cc1ccncc1C#N ZINC000592067181 347726837 /nfs/dbraw/zinc/72/68/37/347726837.db2.gz QRJOISMLJVXOTP-UHFFFAOYSA-N 1 2 241.294 2.568 20 30 BFEDLO CC[C@H](OCC[N@H+](C)CCC#N)c1ccccc1 ZINC000593014822 347844389 /nfs/dbraw/zinc/84/43/89/347844389.db2.gz FHVMDRARHGCVRM-HNNXBMFYSA-N 1 2 246.354 3.000 20 30 BFEDLO CC[C@H](OCC[N@@H+](C)CCC#N)c1ccccc1 ZINC000593014822 347844390 /nfs/dbraw/zinc/84/43/90/347844390.db2.gz FHVMDRARHGCVRM-HNNXBMFYSA-N 1 2 246.354 3.000 20 30 BFEDLO 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224.348 2.568 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CCCOC(C)(C)C)C1CC1 ZINC000595720890 348327706 /nfs/dbraw/zinc/32/77/06/348327706.db2.gz NECQFOCNPUUYBQ-NSHDSACASA-N 1 2 224.348 2.568 20 30 BFEDLO CC[N@H+](CCCN(C)c1ccccc1)[C@H](C)C#N ZINC000595818976 348359634 /nfs/dbraw/zinc/35/96/34/348359634.db2.gz QXPLCRMYTYKJBH-CQSZACIVSA-N 1 2 245.370 2.747 20 30 BFEDLO CC[N@@H+](CCCN(C)c1ccccc1)[C@H](C)C#N ZINC000595818976 348359636 /nfs/dbraw/zinc/35/96/36/348359636.db2.gz QXPLCRMYTYKJBH-CQSZACIVSA-N 1 2 245.370 2.747 20 30 BFEDLO COc1ccc(C)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833094 348366193 /nfs/dbraw/zinc/36/61/93/348366193.db2.gz FTGSMEBSIATJMS-HNNXBMFYSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1ccc(C)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833094 348366195 /nfs/dbraw/zinc/36/61/95/348366195.db2.gz FTGSMEBSIATJMS-HNNXBMFYSA-N 1 2 244.338 2.739 20 30 BFEDLO C=C(C)C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000266918069 187398739 /nfs/dbraw/zinc/39/87/39/187398739.db2.gz NTFNHIWUMZNUCY-UHFFFAOYSA-N 1 2 235.331 2.703 20 30 BFEDLO CC1(C)C[N@H+](CC2(C#N)CC2)[C@H]1c1cccnc1 ZINC000596591849 348588037 /nfs/dbraw/zinc/58/80/37/348588037.db2.gz LZZSWQJAWZFYSO-ZDUSSCGKSA-N 1 2 241.338 2.768 20 30 BFEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)[C@H]1c1cccnc1 ZINC000596591849 348588041 /nfs/dbraw/zinc/58/80/41/348588041.db2.gz LZZSWQJAWZFYSO-ZDUSSCGKSA-N 1 2 241.338 2.768 20 30 BFEDLO N#CCC1C[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000597204189 348677644 /nfs/dbraw/zinc/67/76/44/348677644.db2.gz SNADRRZFGMFLNT-UPHRSURJSA-N 1 2 248.276 2.823 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000054182104 348896828 /nfs/dbraw/zinc/89/68/28/348896828.db2.gz KYXLMINVANCIST-MNOVXSKESA-N 1 2 247.298 2.938 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cncc(Cl)c1 ZINC000598620712 349002635 /nfs/dbraw/zinc/00/26/35/349002635.db2.gz NTRFGVJQCWPWGA-NSHDSACASA-N 1 2 223.707 2.517 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1C#N ZINC000599310869 349144546 /nfs/dbraw/zinc/14/45/46/349144546.db2.gz 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IKLOKZJOKSTYCD-ZDUSSCGKSA-N 1 2 235.352 2.535 20 30 BFEDLO C=C(C)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336665032 350425594 /nfs/dbraw/zinc/42/55/94/350425594.db2.gz FESNARCFHHIKRL-UHFFFAOYSA-N 1 2 223.266 2.899 20 30 BFEDLO C=C(C)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336665032 350425599 /nfs/dbraw/zinc/42/55/99/350425599.db2.gz FESNARCFHHIKRL-UHFFFAOYSA-N 1 2 223.266 2.899 20 30 BFEDLO N#CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000052106069 350938358 /nfs/dbraw/zinc/93/83/58/350938358.db2.gz WMCQMUKXKROTQU-CQSZACIVSA-N 1 2 214.312 2.607 20 30 BFEDLO N#CC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000052106069 350938360 /nfs/dbraw/zinc/93/83/60/350938360.db2.gz WMCQMUKXKROTQU-CQSZACIVSA-N 1 2 214.312 2.607 20 30 BFEDLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000397688583 350961359 /nfs/dbraw/zinc/96/13/59/350961359.db2.gz WIPBVJYHMYQGDF-ZDUSSCGKSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)n1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000397688583 350961360 /nfs/dbraw/zinc/96/13/60/350961360.db2.gz 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359712175 /nfs/dbraw/zinc/71/21/75/359712175.db2.gz CJPPKDOCJSMZCL-OCCSQVGLSA-N 1 2 229.327 2.768 20 30 BFEDLO C=CCC[N@@H+](C)Cc1nnc(C(C)C)s1 ZINC000450818068 202275997 /nfs/dbraw/zinc/27/59/97/202275997.db2.gz HJUYZQFDGLYJFG-UHFFFAOYSA-N 1 2 225.361 2.669 20 30 BFEDLO C=CCC[N@H+](C)Cc1nnc(C(C)C)s1 ZINC000450818068 202276001 /nfs/dbraw/zinc/27/60/01/202276001.db2.gz HJUYZQFDGLYJFG-UHFFFAOYSA-N 1 2 225.361 2.669 20 30 BFEDLO C=C(CC)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000450912759 202307611 /nfs/dbraw/zinc/30/76/11/202307611.db2.gz NACJHQPHFVXXMA-UHFFFAOYSA-N 1 2 246.358 2.845 20 30 BFEDLO C=C(CC)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000450912759 202307614 /nfs/dbraw/zinc/30/76/14/202307614.db2.gz NACJHQPHFVXXMA-UHFFFAOYSA-N 1 2 246.358 2.845 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000612406101 359834072 /nfs/dbraw/zinc/83/40/72/359834072.db2.gz IEIDYVCQAZXCAM-ZDUSSCGKSA-N 1 2 245.351 2.745 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000612406101 359834075 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369569302 /nfs/dbraw/zinc/56/93/02/369569302.db2.gz KVUFYYMDDVFKQC-UHFFFAOYSA-N 1 2 241.294 2.788 20 30 BFEDLO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(F)F ZINC000603430637 369966301 /nfs/dbraw/zinc/96/63/01/369966301.db2.gz UJMQIBFNDTWCHH-PELKAZGASA-N 1 2 236.265 2.789 20 30 BFEDLO C[C@H]1CCC[N@@H+]1[C@H](C#N)c1ccccc1 ZINC000252208840 370001727 /nfs/dbraw/zinc/00/17/27/370001727.db2.gz VTUOHTGLBODPSV-WCQYABFASA-N 1 2 200.285 2.736 20 30 BFEDLO C[C@H]1CCC[N@H+]1[C@H](C#N)c1ccccc1 ZINC000252208840 370001730 /nfs/dbraw/zinc/00/17/30/370001730.db2.gz VTUOHTGLBODPSV-WCQYABFASA-N 1 2 200.285 2.736 20 30 BFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000309790841 370261074 /nfs/dbraw/zinc/26/10/74/370261074.db2.gz UJFKSNBKQCQATG-IUCAKERBSA-N 1 2 224.254 2.918 20 30 BFEDLO C=CCCC[C@@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621943879 370612012 /nfs/dbraw/zinc/61/20/12/370612012.db2.gz OZSWWUUBFSMXKV-LLVKDONJSA-N 1 2 249.358 2.548 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccccc1Cl ZINC000037871178 371044693 /nfs/dbraw/zinc/04/46/93/371044693.db2.gz XVHNGAKPHDZTBT-SECBINFHSA-N 1 2 208.692 2.732 20 30 BFEDLO C=CCC[C@@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000631300903 372285458 /nfs/dbraw/zinc/28/54/58/372285458.db2.gz GJXBCBMIYIWFKG-ZDUSSCGKSA-N 1 2 249.358 2.558 20 30 BFEDLO C=C1CC(C)(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000632810844 373158121 /nfs/dbraw/zinc/15/81/21/373158121.db2.gz PDTMEJIZLVCBLC-UHFFFAOYSA-N 1 2 241.294 2.629 20 30 BFEDLO C=C(CC)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451592381 206109199 /nfs/dbraw/zinc/10/91/99/206109199.db2.gz PAYLAOFNYBPEJJ-LBPRGKRZSA-N 1 2 227.348 2.518 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1nc(CCC(C)C)no1 ZINC000181290339 134335396 /nfs/dbraw/zinc/33/53/96/134335396.db2.gz QBPJRCXPFSSSLH-UHFFFAOYSA-N 1 2 237.347 2.666 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1nc(CCC(C)C)no1 ZINC000181290339 134335397 /nfs/dbraw/zinc/33/53/97/134335397.db2.gz QBPJRCXPFSSSLH-UHFFFAOYSA-N 1 2 237.347 2.666 20 30 BFEDLO C[C@@H](c1ccco1)[N@H+](CCC#N)C1CC1 ZINC000088549427 383907143 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/nfs/dbraw/zinc/96/19/11/383961911.db2.gz KOVYHJQRUBCSGK-UHFFFAOYSA-N 1 2 229.308 2.584 20 30 BFEDLO CC(C)[N@H+](CC#N)[C@@H](C)c1ccccc1 ZINC000080216147 384161688 /nfs/dbraw/zinc/16/16/88/384161688.db2.gz VKMGUJNFGAPMOD-LBPRGKRZSA-N 1 2 202.301 2.982 20 30 BFEDLO CC(C)[N@@H+](CC#N)[C@@H](C)c1ccccc1 ZINC000080216147 384161693 /nfs/dbraw/zinc/16/16/93/384161693.db2.gz VKMGUJNFGAPMOD-LBPRGKRZSA-N 1 2 202.301 2.982 20 30 BFEDLO CCC[N@H+](CC#N)Cc1cccc2[nH]ccc21 ZINC000092398525 384178681 /nfs/dbraw/zinc/17/86/81/384178681.db2.gz SCEUIYVDOGVJQX-UHFFFAOYSA-N 1 2 227.311 2.903 20 30 BFEDLO CCC[N@@H+](CC#N)Cc1cccc2[nH]ccc21 ZINC000092398525 384178682 /nfs/dbraw/zinc/17/86/82/384178682.db2.gz SCEUIYVDOGVJQX-UHFFFAOYSA-N 1 2 227.311 2.903 20 30 BFEDLO CC[C@]1(C)C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000135662296 384226264 /nfs/dbraw/zinc/22/62/64/384226264.db2.gz NRPBWWKIDIVAPM-OAHLLOKOSA-N 1 2 244.338 2.559 20 30 BFEDLO CC[C@]1(C)C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000135662296 384226271 /nfs/dbraw/zinc/22/62/71/384226271.db2.gz NRPBWWKIDIVAPM-OAHLLOKOSA-N 1 2 244.338 2.559 20 30 BFEDLO C[N@@H+](Cc1ccc(F)cc1)C[C@H](C#N)CCC#N ZINC000072589693 384227046 /nfs/dbraw/zinc/22/70/46/384227046.db2.gz QPCSXCFZUGXWTF-ZDUSSCGKSA-N 1 2 245.301 2.701 20 30 BFEDLO C[N@H+](Cc1ccc(F)cc1)C[C@H](C#N)CCC#N ZINC000072589693 384227047 /nfs/dbraw/zinc/22/70/47/384227047.db2.gz QPCSXCFZUGXWTF-ZDUSSCGKSA-N 1 2 245.301 2.701 20 30 BFEDLO CN(Cc1[nH]cc[nH+]1)c1c(Cl)cccc1C#N ZINC000336599194 384243810 /nfs/dbraw/zinc/24/38/10/384243810.db2.gz TWPXQWHXUWMISU-UHFFFAOYSA-N 1 2 246.701 2.571 20 30 BFEDLO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCCC[C@H]1O ZINC000252936511 384290631 /nfs/dbraw/zinc/29/06/31/384290631.db2.gz XTUBQADILSGYEF-CHWSQXEVSA-N 1 2 238.375 2.552 20 30 BFEDLO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCCC[C@H]1O ZINC000252936511 384290635 /nfs/dbraw/zinc/29/06/35/384290635.db2.gz XTUBQADILSGYEF-CHWSQXEVSA-N 1 2 238.375 2.552 20 30 BFEDLO Cc1cc(N2C[C@@H](C)S[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000335514797 384295813 /nfs/dbraw/zinc/29/58/13/384295813.db2.gz ZHLMDULEBUIKFJ-PHIMTYICSA-N 1 2 247.367 2.592 20 30 BFEDLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)o2)s1 ZINC000135806480 384366399 /nfs/dbraw/zinc/36/63/99/384366399.db2.gz UZBABCXMGYZTDL-VIFPVBQESA-N 1 2 247.323 2.767 20 30 BFEDLO C#CC[N@@H+](CC)Cc1ncc(-c2cccs2)o1 ZINC000490780158 384392385 /nfs/dbraw/zinc/39/23/85/384392385.db2.gz DTULQTDJWRGWOS-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C#CC[N@H+](CC)Cc1ncc(-c2cccs2)o1 ZINC000490780158 384392390 /nfs/dbraw/zinc/39/23/90/384392390.db2.gz DTULQTDJWRGWOS-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO CC[N@@H+](Cc1sc(C)nc1C)C[C@H](C)C#N ZINC000172760521 384524157 /nfs/dbraw/zinc/52/41/57/384524157.db2.gz GKOUJRIGHSWBLJ-SECBINFHSA-N 1 2 237.372 2.742 20 30 BFEDLO CC[N@H+](Cc1sc(C)nc1C)C[C@H](C)C#N ZINC000172760521 384524162 /nfs/dbraw/zinc/52/41/62/384524162.db2.gz GKOUJRIGHSWBLJ-SECBINFHSA-N 1 2 237.372 2.742 20 30 BFEDLO COc1ccc(C)cc1[C@H](C)[NH2+]CCC#N ZINC000020199885 384596127 /nfs/dbraw/zinc/59/61/27/384596127.db2.gz FUZSHCHFSCODCG-NSHDSACASA-N 1 2 218.300 2.568 20 30 BFEDLO Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(C)[nH+]1 ZINC000309816108 384644552 /nfs/dbraw/zinc/64/45/52/384644552.db2.gz AWARURRGJSJPNB-NWDGAFQWSA-N 1 2 215.300 2.803 20 30 BFEDLO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000162759080 384681590 /nfs/dbraw/zinc/68/15/90/384681590.db2.gz NVJGLALATARDTL-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1cc(F)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000162759080 384681596 /nfs/dbraw/zinc/68/15/96/384681596.db2.gz NVJGLALATARDTL-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000155093347 384689079 /nfs/dbraw/zinc/68/90/79/384689079.db2.gz UWZMSPVBIMVIJD-OAHLLOKOSA-N 1 2 247.313 2.612 20 30 BFEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000155093347 384689088 /nfs/dbraw/zinc/68/90/88/384689088.db2.gz UWZMSPVBIMVIJD-OAHLLOKOSA-N 1 2 247.313 2.612 20 30 BFEDLO Cc1ccc(C)c(C[N@H+](C)CCC#N)c1 ZINC000042221931 384776835 /nfs/dbraw/zinc/77/68/35/384776835.db2.gz ZQLQKDGPBNUDMT-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO Cc1ccc(C)c(C[N@@H+](C)CCC#N)c1 ZINC000042221931 384776844 /nfs/dbraw/zinc/77/68/44/384776844.db2.gz ZQLQKDGPBNUDMT-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO C=CCN(c1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000362652814 384761351 /nfs/dbraw/zinc/76/13/51/384761351.db2.gz ZIVSZNQKSSCUCE-UHFFFAOYSA-N 1 2 213.284 2.718 20 30 BFEDLO COc1ccc([C@@H](C)[N@H+](C)CCC#N)cc1 ZINC000073986210 384766503 /nfs/dbraw/zinc/76/65/03/384766503.db2.gz MYAAKHQNEXPEMW-LLVKDONJSA-N 1 2 218.300 2.602 20 30 BFEDLO COc1ccc([C@@H](C)[N@@H+](C)CCC#N)cc1 ZINC000073986210 384766510 /nfs/dbraw/zinc/76/65/10/384766510.db2.gz MYAAKHQNEXPEMW-LLVKDONJSA-N 1 2 218.300 2.602 20 30 BFEDLO C=C[C@](C)(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000188391934 384908954 /nfs/dbraw/zinc/90/89/54/384908954.db2.gz PPABYMWEQDBINP-CYBMUJFWSA-N 1 2 218.300 2.931 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000127989084 384974298 /nfs/dbraw/zinc/97/42/98/384974298.db2.gz DIVWPPYKZRDPGC-SECBINFHSA-N 1 2 224.254 2.556 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000127989084 384974306 /nfs/dbraw/zinc/97/43/06/384974306.db2.gz DIVWPPYKZRDPGC-SECBINFHSA-N 1 2 224.254 2.556 20 30 BFEDLO C=CCCC[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000302866752 385010375 /nfs/dbraw/zinc/01/03/75/385010375.db2.gz YXSCSUVPWIHMSR-QMMMGPOBSA-N 1 2 240.738 2.869 20 30 BFEDLO C=CCCC[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000302866752 385010381 /nfs/dbraw/zinc/01/03/81/385010381.db2.gz YXSCSUVPWIHMSR-QMMMGPOBSA-N 1 2 240.738 2.869 20 30 BFEDLO C#C[C@H](C)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000491181818 385062137 /nfs/dbraw/zinc/06/21/37/385062137.db2.gz WCXVSNBWFZHQSA-QMMMGPOBSA-N 1 2 228.217 2.558 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000168921112 385029836 /nfs/dbraw/zinc/02/98/36/385029836.db2.gz GMUPYYIBXNKUAK-UHFFFAOYSA-N 1 2 242.244 2.743 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(F)ccc1C ZINC000129157154 385114505 /nfs/dbraw/zinc/11/45/05/385114505.db2.gz ZBVOXWVEKJHYJD-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(F)ccc1C ZINC000129157154 385114509 /nfs/dbraw/zinc/11/45/09/385114509.db2.gz ZBVOXWVEKJHYJD-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO Cc1ccc(NCc2cc(C#N)n(C)c2)c(C)[nH+]1 ZINC000189596050 385170401 /nfs/dbraw/zinc/17/04/01/385170401.db2.gz PUYSYRWEDITQNV-UHFFFAOYSA-N 1 2 240.310 2.521 20 30 BFEDLO CC#CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000157460742 385173932 /nfs/dbraw/zinc/17/39/32/385173932.db2.gz PURMWFRRLURQCF-UHFFFAOYSA-N 1 2 229.279 2.898 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000155081055 385375730 /nfs/dbraw/zinc/37/57/30/385375730.db2.gz OQEFSGIFKPXEEN-IZCMVCQSSA-N 1 2 245.322 2.769 20 30 BFEDLO C[C@@H]([NH2+]CCC#N)c1ccc(F)c(F)c1 ZINC000020199807 385421997 /nfs/dbraw/zinc/42/19/97/385421997.db2.gz NMERTHQRNQDZTC-MRVPVSSYSA-N 1 2 210.227 2.529 20 30 BFEDLO C[C@H]([NH2+]CCC#N)c1ccc(F)cc1F ZINC000020199813 385422466 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2.516 20 30 BFEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000181286397 134334885 /nfs/dbraw/zinc/33/48/85/134334885.db2.gz BEWSGZKINZLSMP-SECBINFHSA-N 1 2 221.304 2.516 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1ccsc1C(=O)OC ZINC000181334589 134335864 /nfs/dbraw/zinc/33/58/64/134335864.db2.gz JPDCVBUJCLJVST-UHFFFAOYSA-N 1 2 239.340 2.543 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1ccsc1C(=O)OC ZINC000181334589 134335865 /nfs/dbraw/zinc/33/58/65/134335865.db2.gz JPDCVBUJCLJVST-UHFFFAOYSA-N 1 2 239.340 2.543 20 30 BFEDLO C[N@H+](Cc1ccoc1)Cc1cccc(C#N)c1F ZINC000223525239 134340731 /nfs/dbraw/zinc/34/07/31/134340731.db2.gz ACVMAVPSHWFTGX-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C[N@@H+](Cc1ccoc1)Cc1cccc(C#N)c1F ZINC000223525239 134340732 /nfs/dbraw/zinc/34/07/32/134340732.db2.gz ACVMAVPSHWFTGX-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C=CC[N@@H+](CC)Cc1c(F)cccc1F ZINC000337637265 135020806 /nfs/dbraw/zinc/02/08/06/135020806.db2.gz COGKHOXQEMNXHA-UHFFFAOYSA-N 1 2 211.255 2.973 20 30 BFEDLO C=CC[N@H+](CC)Cc1c(F)cccc1F ZINC000337637265 135020808 /nfs/dbraw/zinc/02/08/08/135020808.db2.gz COGKHOXQEMNXHA-UHFFFAOYSA-N 1 2 211.255 2.973 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000338363543 135036403 /nfs/dbraw/zinc/03/64/03/135036403.db2.gz VQPCZMMSVDJKTD-NSHDSACASA-N 1 2 232.302 2.950 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000338363543 135036404 /nfs/dbraw/zinc/03/64/04/135036404.db2.gz VQPCZMMSVDJKTD-NSHDSACASA-N 1 2 232.302 2.950 20 30 BFEDLO Cc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)nc1 ZINC000338387997 135036459 /nfs/dbraw/zinc/03/64/59/135036459.db2.gz UDNSNPAOSXULNB-GFCCVEGCSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)nc1 ZINC000338387997 135036460 /nfs/dbraw/zinc/03/64/60/135036460.db2.gz UDNSNPAOSXULNB-GFCCVEGCSA-N 1 2 229.327 2.514 20 30 BFEDLO CC[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H](C)O1 ZINC000252442533 135089987 /nfs/dbraw/zinc/08/99/87/135089987.db2.gz AFPPHYKUGPOTPF-DOMZBBRYSA-N 1 2 244.338 2.558 20 30 BFEDLO CC[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H](C)O1 ZINC000252442533 135089988 /nfs/dbraw/zinc/08/99/88/135089988.db2.gz AFPPHYKUGPOTPF-DOMZBBRYSA-N 1 2 244.338 2.558 20 30 BFEDLO COc1ccccc1/C=C\C[N@H+](C)[C@@H](C)CC#N ZINC000255711838 135129933 /nfs/dbraw/zinc/12/99/33/135129933.db2.gz JAWQIZLQYFXNMW-WOLRVDTOSA-N 1 2 244.338 2.942 20 30 BFEDLO COc1ccccc1/C=C\C[N@@H+](C)[C@@H](C)CC#N ZINC000255711838 135129934 /nfs/dbraw/zinc/12/99/34/135129934.db2.gz JAWQIZLQYFXNMW-WOLRVDTOSA-N 1 2 244.338 2.942 20 30 BFEDLO Cc1cc(NCCCCC#N)nc(C2CC2)[nH+]1 ZINC000265388628 135144949 /nfs/dbraw/zinc/14/49/49/135144949.db2.gz SXERLJHCNSVOGA-UHFFFAOYSA-N 1 2 230.315 2.768 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCCSC1 ZINC000267309469 135153627 /nfs/dbraw/zinc/15/36/27/135153627.db2.gz LNUPITGFHAPFLL-KAQJVSAMSA-N 1 2 221.325 2.707 20 30 BFEDLO Cc1cccc(C[NH+]2CC(C)(C#N)C2)c1C ZINC000297290058 135195483 /nfs/dbraw/zinc/19/54/83/135195483.db2.gz ANPZGPCSQUOQFN-UHFFFAOYSA-N 1 2 214.312 2.649 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cccnc1 ZINC000340601192 135199132 /nfs/dbraw/zinc/19/91/32/135199132.db2.gz MIJIRAYBQNUFKZ-NEPJUHHUSA-N 1 2 217.316 2.624 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cccnc1 ZINC000340601192 135199133 /nfs/dbraw/zinc/19/91/33/135199133.db2.gz MIJIRAYBQNUFKZ-NEPJUHHUSA-N 1 2 217.316 2.624 20 30 BFEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000121000399 135221283 /nfs/dbraw/zinc/22/12/83/135221283.db2.gz IXDZKRJSPQMHMN-YPMHNXCESA-N 1 2 235.352 2.533 20 30 BFEDLO CC#CC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000121000399 135221285 /nfs/dbraw/zinc/22/12/85/135221285.db2.gz IXDZKRJSPQMHMN-YPMHNXCESA-N 1 2 235.352 2.533 20 30 BFEDLO C=CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000121334342 135222128 /nfs/dbraw/zinc/22/21/28/135222128.db2.gz LTDXSIALMZLZIT-UHFFFAOYSA-N 1 2 240.690 2.866 20 30 BFEDLO C=CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000121334342 135222129 /nfs/dbraw/zinc/22/21/29/135222129.db2.gz LTDXSIALMZLZIT-UHFFFAOYSA-N 1 2 240.690 2.866 20 30 BFEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000342793368 135319375 /nfs/dbraw/zinc/31/93/75/135319375.db2.gz INGQXQDCHISGFG-GHMZBOCLSA-N 1 2 247.367 2.802 20 30 BFEDLO C[C@@]1(F)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000334357753 135370387 /nfs/dbraw/zinc/37/03/87/135370387.db2.gz QTNIQXXJQYCFMF-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000334357753 135370388 /nfs/dbraw/zinc/37/03/88/135370388.db2.gz QTNIQXXJQYCFMF-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000334357753 135370389 /nfs/dbraw/zinc/37/03/89/135370389.db2.gz QTNIQXXJQYCFMF-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@H](c1cccnc1)[N@H+](C)CC(C)(C)C#N ZINC000347767353 136008594 /nfs/dbraw/zinc/00/85/94/136008594.db2.gz ULLRTIYPFPAKTN-LLVKDONJSA-N 1 2 217.316 2.624 20 30 BFEDLO C[C@H](c1cccnc1)[N@@H+](C)CC(C)(C)C#N ZINC000347767353 136008595 /nfs/dbraw/zinc/00/85/95/136008595.db2.gz ULLRTIYPFPAKTN-LLVKDONJSA-N 1 2 217.316 2.624 20 30 BFEDLO C=CCOCCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000348168582 136042318 /nfs/dbraw/zinc/04/23/18/136042318.db2.gz NFVHNNDPDKLAQU-NSHDSACASA-N 1 2 233.302 2.556 20 30 BFEDLO C=CCOCCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000348168582 136042319 /nfs/dbraw/zinc/04/23/19/136042319.db2.gz NFVHNNDPDKLAQU-NSHDSACASA-N 1 2 233.302 2.556 20 30 BFEDLO C[C@@]1(F)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000336475266 397942524 /nfs/dbraw/zinc/94/25/24/397942524.db2.gz ZFQGWXUXSJXTSL-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000336475266 397942527 /nfs/dbraw/zinc/94/25/27/397942527.db2.gz ZFQGWXUXSJXTSL-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO N#Cc1cnccc1/C=C/c1cccc2[nH+]ccn21 ZINC000347421926 398025390 /nfs/dbraw/zinc/02/53/90/398025390.db2.gz FEEZGFOUQVPXAC-SNAWJCMRSA-N 1 2 246.273 2.771 20 30 BFEDLO C=CC(C)(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000297558796 397980653 /nfs/dbraw/zinc/98/06/53/397980653.db2.gz CPBRGMRQUAKIIH-UHFFFAOYSA-N 1 2 218.300 2.849 20 30 BFEDLO CC[C@H]1C[N@H+](CC#Cc2ccccc2)[C@@H](C)CO1 ZINC000649734936 398070295 /nfs/dbraw/zinc/07/02/95/398070295.db2.gz CRYNBRRZMASCCE-HOCLYGCPSA-N 1 2 243.350 2.537 20 30 BFEDLO CC[C@H]1C[N@@H+](CC#Cc2ccccc2)[C@@H](C)CO1 ZINC000649734936 398070297 /nfs/dbraw/zinc/07/02/97/398070297.db2.gz CRYNBRRZMASCCE-HOCLYGCPSA-N 1 2 243.350 2.537 20 30 BFEDLO C#CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1ccccc1 ZINC000270145000 166205527 /nfs/dbraw/zinc/20/55/27/166205527.db2.gz BPSGARYXIVBDSL-OAHLLOKOSA-N 1 2 239.322 2.572 20 30 BFEDLO C=CCN(C(=O)Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000271617146 166311625 /nfs/dbraw/zinc/31/16/25/166311625.db2.gz XENYQMPZQVFLML-UHFFFAOYSA-N 1 2 245.326 2.881 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccn(C(C)C)n1 ZINC000172016464 166337344 /nfs/dbraw/zinc/33/73/44/166337344.db2.gz NTGYJGRQKABBMZ-UHFFFAOYSA-N 1 2 219.332 2.638 20 30 BFEDLO C=CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000000114060 166359511 /nfs/dbraw/zinc/35/95/11/166359511.db2.gz XYHXBRXGPNXOJR-UHFFFAOYSA-N 1 2 212.296 2.712 20 30 BFEDLO C=CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000000114060 166359513 /nfs/dbraw/zinc/35/95/13/166359513.db2.gz XYHXBRXGPNXOJR-UHFFFAOYSA-N 1 2 212.296 2.712 20 30 BFEDLO C[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356054089 411163202 /nfs/dbraw/zinc/16/32/02/411163202.db2.gz KBEJKAZQAVENNI-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356054089 411163207 /nfs/dbraw/zinc/16/32/07/411163207.db2.gz KBEJKAZQAVENNI-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C=C(C)CN(C)c1nc(C2CC2)[nH+]c(C)c1OC ZINC000656153382 411188627 /nfs/dbraw/zinc/18/86/27/411188627.db2.gz QISKTDBWOIAKJU-UHFFFAOYSA-N 1 2 247.342 2.683 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(C2CC2)n1 ZINC000662081894 411358096 /nfs/dbraw/zinc/35/80/96/411358096.db2.gz YINAVGZIEJKNFO-TXEJJXNPSA-N 1 2 245.326 2.630 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(C2CC2)n1 ZINC000662081894 411358100 /nfs/dbraw/zinc/35/81/00/411358100.db2.gz YINAVGZIEJKNFO-TXEJJXNPSA-N 1 2 245.326 2.630 20 30 BFEDLO CC1=C(C)C[N@H+](Cc2nc(C#N)cs2)CC1 ZINC000336451778 168084569 /nfs/dbraw/zinc/08/45/69/168084569.db2.gz YPUWLVVBWQXRTJ-UHFFFAOYSA-N 1 2 233.340 2.557 20 30 BFEDLO CC1=C(C)C[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000336451778 168084570 /nfs/dbraw/zinc/08/45/70/168084570.db2.gz YPUWLVVBWQXRTJ-UHFFFAOYSA-N 1 2 233.340 2.557 20 30 BFEDLO CC#CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000339751493 411384129 /nfs/dbraw/zinc/38/41/29/411384129.db2.gz FEFNFYBDBLUJNO-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO CC#CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000339751493 411384131 /nfs/dbraw/zinc/38/41/31/411384131.db2.gz FEFNFYBDBLUJNO-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc(C2CC2)no1 ZINC000659837188 411469843 /nfs/dbraw/zinc/46/98/43/411469843.db2.gz DFJKKPXMNLBPHT-UHFFFAOYSA-N 1 2 218.300 2.726 20 30 BFEDLO C=CC[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000661378920 411761274 /nfs/dbraw/zinc/76/12/74/411761274.db2.gz OMYQTIFQQKBMJM-NSHDSACASA-N 1 2 247.342 2.735 20 30 BFEDLO C=CC[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000661378920 411761278 /nfs/dbraw/zinc/76/12/78/411761278.db2.gz OMYQTIFQQKBMJM-NSHDSACASA-N 1 2 247.342 2.735 20 30 BFEDLO C=CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000664228525 411889117 /nfs/dbraw/zinc/88/91/17/411889117.db2.gz RNDMROBCZOUCJC-UHFFFAOYSA-N 1 2 203.289 2.650 20 30 BFEDLO C=CCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000664226177 411889762 /nfs/dbraw/zinc/88/97/62/411889762.db2.gz CFSPIPZYYQDUNP-UHFFFAOYSA-N 1 2 233.315 2.659 20 30 BFEDLO CC(=O)c1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000662078060 411978689 /nfs/dbraw/zinc/97/86/89/411978689.db2.gz HFWBEWXTAIEBIJ-HNNXBMFYSA-N 1 2 242.322 2.625 20 30 BFEDLO CC(=O)c1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000662078060 411978693 /nfs/dbraw/zinc/97/86/93/411978693.db2.gz HFWBEWXTAIEBIJ-HNNXBMFYSA-N 1 2 242.322 2.625 20 30 BFEDLO CC(=O)c1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000662078061 411978894 /nfs/dbraw/zinc/97/88/94/411978894.db2.gz HFWBEWXTAIEBIJ-OAHLLOKOSA-N 1 2 242.322 2.625 20 30 BFEDLO CC(=O)c1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000662078061 411978900 /nfs/dbraw/zinc/97/89/00/411978900.db2.gz HFWBEWXTAIEBIJ-OAHLLOKOSA-N 1 2 242.322 2.625 20 30 BFEDLO C=C(C)C[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662238942 412033882 /nfs/dbraw/zinc/03/38/82/412033882.db2.gz SSOOEFMSUQQBFF-ZJUUUORDSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C(C)C[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662238942 412033887 /nfs/dbraw/zinc/03/38/87/412033887.db2.gz SSOOEFMSUQQBFF-ZJUUUORDSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C(C)CCc1noc(Cc2c[nH+]ccc2C)n1 ZINC000664879159 412037920 /nfs/dbraw/zinc/03/79/20/412037920.db2.gz ZQFJFXKTDCFDKQ-UHFFFAOYSA-N 1 2 243.310 2.873 20 30 BFEDLO CNc1ccc(Nc2c(C#N)cccc2C#N)c[nH+]1 ZINC000302419309 173480077 /nfs/dbraw/zinc/48/00/77/173480077.db2.gz ILZYLUGBOPJMAO-UHFFFAOYSA-N 1 2 249.277 2.610 20 30 BFEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000275328629 176013127 /nfs/dbraw/zinc/01/31/27/176013127.db2.gz VLRXUKZUHADGOB-NEPJUHHUSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000275328629 176013128 /nfs/dbraw/zinc/01/31/28/176013128.db2.gz VLRXUKZUHADGOB-NEPJUHHUSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccon1 ZINC000275504831 176017014 /nfs/dbraw/zinc/01/70/14/176017014.db2.gz CIVXUIATWDKGBL-NSHDSACASA-N 1 2 241.294 2.739 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccon1 ZINC000275504831 176017015 /nfs/dbraw/zinc/01/70/15/176017015.db2.gz CIVXUIATWDKGBL-NSHDSACASA-N 1 2 241.294 2.739 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000282720644 177273760 /nfs/dbraw/zinc/27/37/60/177273760.db2.gz BXRTUAOODHDRNO-RYUDHWBXSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000282720644 177273762 /nfs/dbraw/zinc/27/37/62/177273762.db2.gz BXRTUAOODHDRNO-RYUDHWBXSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(F)ccc1C#N ZINC000336461011 177319953 /nfs/dbraw/zinc/31/99/53/177319953.db2.gz 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/nfs/dbraw/zinc/14/57/04/323145704.db2.gz OYHDZYQIMZZHHY-NSHDSACASA-N 1 2 226.389 2.896 20 30 BFEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000121614056 324018619 /nfs/dbraw/zinc/01/86/19/324018619.db2.gz VLGCDRYEOQQORD-VIFPVBQESA-N 1 2 223.320 2.546 20 30 BFEDLO C=CC[N@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000121614056 324018624 /nfs/dbraw/zinc/01/86/24/324018624.db2.gz VLGCDRYEOQQORD-VIFPVBQESA-N 1 2 223.320 2.546 20 30 BFEDLO C=CC[N@@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000121616609 324018811 /nfs/dbraw/zinc/01/88/11/324018811.db2.gz JXEHJZGERXMXAZ-UHFFFAOYSA-N 1 2 243.310 2.663 20 30 BFEDLO C=CC[N@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000121616609 324018815 /nfs/dbraw/zinc/01/88/15/324018815.db2.gz JXEHJZGERXMXAZ-UHFFFAOYSA-N 1 2 243.310 2.663 20 30 BFEDLO C=CC[NH+](CC=C)Cc1csc(C)n1 ZINC000072938889 325182351 /nfs/dbraw/zinc/18/23/51/325182351.db2.gz HBRHBXJMXJPYQF-UHFFFAOYSA-N 1 2 208.330 2.626 20 30 BFEDLO C=CC[N@@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000075887956 325319978 /nfs/dbraw/zinc/31/99/78/325319978.db2.gz MSMZHRVXKNWWDL-SNVBAGLBSA-N 1 2 240.372 2.858 20 30 BFEDLO C=CC[N@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000075887956 325319980 /nfs/dbraw/zinc/31/99/80/325319980.db2.gz MSMZHRVXKNWWDL-SNVBAGLBSA-N 1 2 240.372 2.858 20 30 BFEDLO CC#CC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000566172373 326006305 /nfs/dbraw/zinc/00/63/05/326006305.db2.gz DLEYUNNJEMLLBS-UHFFFAOYSA-N 1 2 225.744 2.783 20 30 BFEDLO CC#CC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000566172373 326006301 /nfs/dbraw/zinc/00/63/01/326006301.db2.gz DLEYUNNJEMLLBS-UHFFFAOYSA-N 1 2 225.744 2.783 20 30 BFEDLO CCc1ccccc1CC[NH+]1CC(C)(C#N)C1 ZINC000568879139 326380705 /nfs/dbraw/zinc/38/07/05/326380705.db2.gz HAWPTDYJHQHSFU-UHFFFAOYSA-N 1 2 228.339 2.637 20 30 BFEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1F ZINC000683020240 488096201 /nfs/dbraw/zinc/09/62/01/488096201.db2.gz NFPWWMYMYFATIN-ZFWWWQNUSA-N 1 2 231.314 2.718 20 30 BFEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1F ZINC000683020240 488096206 /nfs/dbraw/zinc/09/62/06/488096206.db2.gz NFPWWMYMYFATIN-ZFWWWQNUSA-N 1 2 231.314 2.718 20 30 BFEDLO COCC#CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000677819845 488135443 /nfs/dbraw/zinc/13/54/43/488135443.db2.gz BRLBCTAPXWUXGD-CQSZACIVSA-N 1 2 249.741 2.737 20 30 BFEDLO COCC#CC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000677819845 488135447 /nfs/dbraw/zinc/13/54/47/488135447.db2.gz BRLBCTAPXWUXGD-CQSZACIVSA-N 1 2 249.741 2.737 20 30 BFEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000678625073 488272510 /nfs/dbraw/zinc/27/25/10/488272510.db2.gz YOZYYNYQKNHVHN-LBPRGKRZSA-N 1 2 221.300 2.619 20 30 BFEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000678625073 488272512 /nfs/dbraw/zinc/27/25/12/488272512.db2.gz YOZYYNYQKNHVHN-LBPRGKRZSA-N 1 2 221.300 2.619 20 30 BFEDLO C=C[C@@H]1CCCCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000362836538 534561682 /nfs/dbraw/zinc/56/16/82/534561682.db2.gz HMNBZKQTBRBYLI-LLVKDONJSA-N 1 2 242.326 2.811 20 30 BFEDLO C=CCCC1(C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000361686116 534643921 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/nfs/dbraw/zinc/45/94/72/536459472.db2.gz OBPQGHLVUVRJDW-UHFFFAOYSA-N 1 2 238.281 2.946 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ccsc1Cl ZINC000306957994 527332200 /nfs/dbraw/zinc/33/22/00/527332200.db2.gz UVCZIBJVRRZVGF-QMMMGPOBSA-N 1 2 213.733 2.855 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ccsc1Cl ZINC000306957994 527332205 /nfs/dbraw/zinc/33/22/05/527332205.db2.gz UVCZIBJVRRZVGF-QMMMGPOBSA-N 1 2 213.733 2.855 20 30 BFEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnn1C ZINC000130240782 535021195 /nfs/dbraw/zinc/02/11/95/535021195.db2.gz OQRGPDBDOXRCDS-UHFFFAOYSA-N 1 2 248.374 2.572 20 30 BFEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnn1C ZINC000130240782 535021201 /nfs/dbraw/zinc/02/12/01/535021201.db2.gz OQRGPDBDOXRCDS-UHFFFAOYSA-N 1 2 248.374 2.572 20 30 BFEDLO CC[C@@H]([NH2+]CCC#N)c1ccc(F)cc1F ZINC000299138638 535803223 /nfs/dbraw/zinc/80/32/23/535803223.db2.gz WFVUITKNOWHCJF-GFCCVEGCSA-N 1 2 224.254 2.919 20 30 BFEDLO C[N@H+](Cc1cccc(F)c1)CC1(C#N)CC1 ZINC000258931669 536477189 /nfs/dbraw/zinc/47/71/89/536477189.db2.gz OOLDGBMDGYFRLP-UHFFFAOYSA-N 1 2 218.275 2.561 20 30 BFEDLO C[N@@H+](Cc1cccc(F)c1)CC1(C#N)CC1 ZINC000258931669 536477190 /nfs/dbraw/zinc/47/71/90/536477190.db2.gz OOLDGBMDGYFRLP-UHFFFAOYSA-N 1 2 218.275 2.561 20 30 BFEDLO COc1ccc([C@@H](C)C[NH+]2CC(C)(C#N)C2)cc1 ZINC000297332982 536885108 /nfs/dbraw/zinc/88/51/08/536885108.db2.gz DOPUMJMEQRBEAD-LBPRGKRZSA-N 1 2 244.338 2.644 20 30 BFEDLO C=CCOCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119131668 566352639 /nfs/dbraw/zinc/35/26/39/566352639.db2.gz CVOACYULEGQESM-UHFFFAOYSA-N 1 2 248.326 2.620 20 30 BFEDLO Cc1n[nH]c(C[N@@H+](CCC#N)CCC(C)C)c1C ZINC000894003523 583272778 /nfs/dbraw/zinc/27/27/78/583272778.db2.gz MVBKZAIUWFDTAM-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO Cc1n[nH]c(C[N@H+](CCC#N)CCC(C)C)c1C ZINC000894003523 583272779 /nfs/dbraw/zinc/27/27/79/583272779.db2.gz MVBKZAIUWFDTAM-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO CC1(C)CC(/[NH+]=C/c2ccccc2O)C1 ZINC000852998249 588714972 /nfs/dbraw/zinc/71/49/72/588714972.db2.gz JKTXEWYTNWWOHI-NTEUORMPSA-N 1 2 203.285 3.000 20 30 BFEDLO CC1(C)OCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000852998001 588715003 /nfs/dbraw/zinc/71/50/03/588715003.db2.gz GQLQQKQRAIRPNL-DGGAMASNSA-N 1 2 233.311 2.626 20 30 BFEDLO C[C@@H]1CCCCN1N=Cc1cccc2[nH+]ccn21 ZINC000853378881 588739226 /nfs/dbraw/zinc/73/92/26/588739226.db2.gz DTHDZQODHYOBLK-GFCCVEGCSA-N 1 2 242.326 2.543 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N(C)CC(=C)C ZINC000853470899 588744826 /nfs/dbraw/zinc/74/48/26/588744826.db2.gz XKAJFQFVRKHQLO-UHFFFAOYSA-N 1 2 244.338 2.886 20 30 BFEDLO C#C[C@@H](C)N(C)c1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000853542197 588748248 /nfs/dbraw/zinc/74/82/48/588748248.db2.gz XMRPPVDBZPJWBY-SECBINFHSA-N 1 2 242.244 2.867 20 30 BFEDLO C=CC[C@@H]1CCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC000890547355 582469650 /nfs/dbraw/zinc/46/96/50/582469650.db2.gz ZJYIYTCRIYFJLS-CYBMUJFWSA-N 1 2 244.338 2.797 20 30 BFEDLO C=CCCC(CCC)=NNCCCn1cc[nH+]c1 ZINC000848416414 582772805 /nfs/dbraw/zinc/77/28/05/582772805.db2.gz KMROFHKHULTZHU-UHFFFAOYSA-N 1 2 248.374 2.985 20 30 BFEDLO C#CCCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000892526382 582906634 /nfs/dbraw/zinc/90/66/34/582906634.db2.gz JBHWZPMYCSNBQN-UHFFFAOYSA-N 1 2 227.311 2.667 20 30 BFEDLO Cc1cc(NCCCC#N)nc(C2CCC2)[nH+]1 ZINC000893128604 583054128 /nfs/dbraw/zinc/05/41/28/583054128.db2.gz OFRIHOKJHHWKLL-UHFFFAOYSA-N 1 2 230.315 2.768 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000775183178 583055382 /nfs/dbraw/zinc/05/53/82/583055382.db2.gz JRORUYTZRWZTMJ-QMMMGPOBSA-N 1 2 241.693 2.638 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000775183178 583055383 /nfs/dbraw/zinc/05/53/83/583055383.db2.gz JRORUYTZRWZTMJ-QMMMGPOBSA-N 1 2 241.693 2.638 20 30 BFEDLO C=CCN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC000893257753 583079922 /nfs/dbraw/zinc/07/99/22/583079922.db2.gz ACZBHTIJEYZBHO-UHFFFAOYSA-N 1 2 217.316 2.675 20 30 BFEDLO C=CC[C@@H](CC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893683245 583198743 /nfs/dbraw/zinc/19/87/43/583198743.db2.gz FRLRTDXCPXGDTE-GHMZBOCLSA-N 1 2 220.316 2.902 20 30 BFEDLO N#Cc1cc(C[NH+]2CCC(F)(F)CC2)cs1 ZINC000894178855 583328696 /nfs/dbraw/zinc/32/86/96/583328696.db2.gz PVOGXJRFZIHXAD-UHFFFAOYSA-N 1 2 242.294 2.851 20 30 BFEDLO C[N@H+](Cc1ccnc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000879309879 583422002 /nfs/dbraw/zinc/42/20/02/583422002.db2.gz YCXGBQFQFWMSAN-RYUDHWBXSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccnc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000879309879 583422005 /nfs/dbraw/zinc/42/20/05/583422005.db2.gz YCXGBQFQFWMSAN-RYUDHWBXSA-N 1 2 249.745 2.859 20 30 BFEDLO CC[C@H](C)[C@@H](C/[NH+]=C\c1ccccc1O)OC ZINC000840708187 583850738 /nfs/dbraw/zinc/85/07/38/583850738.db2.gz UVNAEVGIAOOXFM-GURCMLPQSA-N 1 2 235.327 2.872 20 30 BFEDLO C=CCCC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000728343562 583867136 /nfs/dbraw/zinc/86/71/36/583867136.db2.gz XCHICFQNNXINCO-UHFFFAOYSA-N 1 2 244.294 2.652 20 30 BFEDLO COc1cccc(/C=[NH+]/CC(C)(C)CC#N)c1O ZINC000840711008 583874863 /nfs/dbraw/zinc/87/48/63/583874863.db2.gz OEPNSQGFEKFITM-CXUHLZMHSA-N 1 2 246.310 2.760 20 30 BFEDLO C[C@@H]1C[C@H](/[NH+]=C\c2ccccc2O)CS1 ZINC000840711436 583878982 /nfs/dbraw/zinc/87/89/82/583878982.db2.gz QTIWNKCCDXDJOH-VZQCPDAHSA-N 1 2 221.325 2.705 20 30 BFEDLO C[C@@H]1C[C@@H](/[NH+]=C\c2ccccc2O)CS1 ZINC000840711432 583879135 /nfs/dbraw/zinc/87/91/35/583879135.db2.gz QTIWNKCCDXDJOH-URECSXQKSA-N 1 2 221.325 2.705 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2C[C@H]2C2CC2)c1 ZINC000840711833 583879611 /nfs/dbraw/zinc/87/96/11/583879611.db2.gz ZLNBHHYGFKDKPK-CTTWFSSNSA-N 1 2 245.322 2.866 20 30 BFEDLO CC#CC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000897167914 583887462 /nfs/dbraw/zinc/88/74/62/583887462.db2.gz WNSXOVFHGWEARW-UHFFFAOYSA-N 1 2 241.693 2.640 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000897167914 583887463 /nfs/dbraw/zinc/88/74/63/583887463.db2.gz WNSXOVFHGWEARW-UHFFFAOYSA-N 1 2 241.693 2.640 20 30 BFEDLO C#CC[N@H+](Cc1cc(C)cnc1Cl)C(C)C ZINC000897170904 583888867 /nfs/dbraw/zinc/88/88/67/583888867.db2.gz KTJHATRLBZCKET-UHFFFAOYSA-N 1 2 236.746 2.887 20 30 BFEDLO C#CC[N@@H+](Cc1cc(C)cnc1Cl)C(C)C ZINC000897170904 583888869 /nfs/dbraw/zinc/88/88/69/583888869.db2.gz KTJHATRLBZCKET-UHFFFAOYSA-N 1 2 236.746 2.887 20 30 BFEDLO C#Cc1ccc(C[NH2+]CC(F)(F)CC)cc1 ZINC000858258415 588941159 /nfs/dbraw/zinc/94/11/59/588941159.db2.gz IEZWIKMYFJLHEQ-UHFFFAOYSA-N 1 2 223.266 2.803 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000785997390 584016148 /nfs/dbraw/zinc/01/61/48/584016148.db2.gz MOSRAQXSEODVQD-NSHDSACASA-N 1 2 249.358 2.908 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000785997390 584016149 /nfs/dbraw/zinc/01/61/49/584016149.db2.gz MOSRAQXSEODVQD-NSHDSACASA-N 1 2 249.358 2.908 20 30 BFEDLO C[C@@H]1CCC[C@@H]1/[NH+]=C\c1cccc(O)c1O ZINC000729641588 584020457 /nfs/dbraw/zinc/02/04/57/584020457.db2.gz OPPXFHZIKKVFAB-QXFRVOFRSA-N 1 2 219.284 2.705 20 30 BFEDLO CC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866214614 584116672 /nfs/dbraw/zinc/11/66/72/584116672.db2.gz QBBZYNNBSPQMFY-UWVGGRQHSA-N 1 2 218.300 2.713 20 30 BFEDLO C=CC(C)(C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000898460145 584137611 /nfs/dbraw/zinc/13/76/11/584137611.db2.gz DWZWHBUKKOJVRM-UHFFFAOYSA-N 1 2 227.254 2.725 20 30 BFEDLO COC[C@@H](C/[NH+]=C\c1ccccc1O)C(C)C ZINC000899227395 584182273 /nfs/dbraw/zinc/18/22/73/584182273.db2.gz KQQWPSJQBTYKDL-ATDKOCKZSA-N 1 2 235.327 2.730 20 30 BFEDLO COC[C@H](C/[NH+]=C\c1ccccc1O)C(C)C ZINC000899227398 584182763 /nfs/dbraw/zinc/18/27/63/584182763.db2.gz KQQWPSJQBTYKDL-PBTLCFMXSA-N 1 2 235.327 2.730 20 30 BFEDLO CC(C)(C/[NH+]=C/c1ccc(O)c(O)c1O)C1CC1 ZINC000899230073 584183057 /nfs/dbraw/zinc/18/30/57/584183057.db2.gz CAXGUABIIPYSKR-VIZOYTHASA-N 1 2 249.310 2.659 20 30 BFEDLO C#CCCC[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000901447730 584447383 /nfs/dbraw/zinc/44/73/83/584447383.db2.gz PLQTUVAFUWDLDF-NSHDSACASA-N 1 2 215.296 2.835 20 30 BFEDLO CCc1noc(C)c1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903033310 584718371 /nfs/dbraw/zinc/71/83/71/584718371.db2.gz SQGQMCVLPBAKDQ-JTQLQIEISA-N 1 2 247.342 2.890 20 30 BFEDLO CCc1cccnc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903100306 584727411 /nfs/dbraw/zinc/72/74/11/584727411.db2.gz NCNYTADVSDLKSX-LLVKDONJSA-N 1 2 231.343 2.844 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)cn1 ZINC000903106276 584728391 /nfs/dbraw/zinc/72/83/91/584728391.db2.gz NUXSZZCUHVAQJE-SECBINFHSA-N 1 2 235.718 2.689 20 30 BFEDLO C=CCN(C(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC000904169861 584845833 /nfs/dbraw/zinc/84/58/33/584845833.db2.gz OJPWPXDEARDEHF-UHFFFAOYSA-N 1 2 244.338 2.797 20 30 BFEDLO CC1(C)c2ccccc2C(=O)/C1=C/c1[nH]cc[nH+]1 ZINC000731158622 584923034 /nfs/dbraw/zinc/92/30/34/584923034.db2.gz FUJQOVUPGLUTOP-XFXZXTDPSA-N 1 2 238.290 2.967 20 30 BFEDLO C#CCCCSCc1cn2ccccc2[nH+]1 ZINC000766737568 584943726 /nfs/dbraw/zinc/94/37/26/584943726.db2.gz KGYLTTSHEPBFIV-UHFFFAOYSA-N 1 2 230.336 2.981 20 30 BFEDLO C=CCCC(=O)OCc1[nH+]cc(C)c(OC)c1C ZINC000736808466 585016430 /nfs/dbraw/zinc/01/64/30/585016430.db2.gz SRDUQAKINWWUCG-UHFFFAOYSA-N 1 2 249.310 2.716 20 30 BFEDLO C#CCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000839194201 585097857 /nfs/dbraw/zinc/09/78/57/585097857.db2.gz GNYQQTYCKHJFAV-UHFFFAOYSA-N 1 2 205.688 2.679 20 30 BFEDLO C#CCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000839194201 585097858 /nfs/dbraw/zinc/09/78/58/585097858.db2.gz GNYQQTYCKHJFAV-UHFFFAOYSA-N 1 2 205.688 2.679 20 30 BFEDLO C#CC[NH+](CC#C)[C@@H](C)c1cc(F)ccc1F ZINC000839501671 585105857 /nfs/dbraw/zinc/10/58/57/585105857.db2.gz XXKZYAFLNVEXIY-NSHDSACASA-N 1 2 233.261 2.594 20 30 BFEDLO C=CCCCO[NH+]=C(N)Cc1cccs1 ZINC000740872204 585107764 /nfs/dbraw/zinc/10/77/64/585107764.db2.gz IOXQTABOEOQGAU-UHFFFAOYSA-N 1 2 224.329 2.755 20 30 BFEDLO O=C1c2ccc(Cl)cc2C/C1=C/c1[nH]cc[nH+]1 ZINC000742436396 585126265 /nfs/dbraw/zinc/12/62/65/585126265.db2.gz BIEHNKREPVDYAG-CLFYSBASSA-N 1 2 244.681 2.886 20 30 BFEDLO C=CC[N@@H+](Cc1csc(COC)n1)C(C)C ZINC000743841705 585140342 /nfs/dbraw/zinc/14/03/42/585140342.db2.gz STYPLEGGOXCMJE-UHFFFAOYSA-N 1 2 240.372 2.686 20 30 BFEDLO C=CC[N@H+](Cc1csc(COC)n1)C(C)C ZINC000743841705 585140343 /nfs/dbraw/zinc/14/03/43/585140343.db2.gz STYPLEGGOXCMJE-UHFFFAOYSA-N 1 2 240.372 2.686 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccc2ccccc2n1 ZINC000743870436 585141655 /nfs/dbraw/zinc/14/16/55/585141655.db2.gz RJOHWAMGJIOPBZ-UHFFFAOYSA-N 1 2 248.329 2.693 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccc2ccccc2n1 ZINC000743870436 585141656 /nfs/dbraw/zinc/14/16/56/585141656.db2.gz RJOHWAMGJIOPBZ-UHFFFAOYSA-N 1 2 248.329 2.693 20 30 BFEDLO C#CC[N@@H+](Cc1ccccc1Cl)C1CC1 ZINC000746114440 585163078 /nfs/dbraw/zinc/16/30/78/585163078.db2.gz HLBOKIMDLXIDBE-UHFFFAOYSA-N 1 2 219.715 2.938 20 30 BFEDLO C#CC[N@H+](Cc1ccccc1Cl)C1CC1 ZINC000746114440 585163079 /nfs/dbraw/zinc/16/30/79/585163079.db2.gz HLBOKIMDLXIDBE-UHFFFAOYSA-N 1 2 219.715 2.938 20 30 BFEDLO C#CC[N@@H+](CC)Cc1ccc(F)cc1Cl ZINC000746457419 585168439 /nfs/dbraw/zinc/16/84/39/585168439.db2.gz CSFBGPNEBJJSFE-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C#CC[N@H+](CC)Cc1ccc(F)cc1Cl ZINC000746457419 585168440 /nfs/dbraw/zinc/16/84/40/585168440.db2.gz CSFBGPNEBJJSFE-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO CC(C)(C)OCC/[NH+]=C/c1ccccc1O ZINC000746682003 585172174 /nfs/dbraw/zinc/17/21/74/585172174.db2.gz OYOZGWQCLXPZRQ-GXDHUFHOSA-N 1 2 221.300 2.626 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1cccc(O)c1 ZINC000749114336 585199624 /nfs/dbraw/zinc/19/96/24/585199624.db2.gz BUNWOISLTSOBEM-UHFFFAOYSA-N 1 2 211.692 2.577 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1cccc(O)c1 ZINC000749114336 585199625 /nfs/dbraw/zinc/19/96/25/585199625.db2.gz BUNWOISLTSOBEM-UHFFFAOYSA-N 1 2 211.692 2.577 20 30 BFEDLO CC1(O)CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000749845653 585207190 /nfs/dbraw/zinc/20/71/90/585207190.db2.gz SOZJDGHXDOEZFS-GDNBJRDFSA-N 1 2 233.311 2.505 20 30 BFEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CC1(Cl)Cl ZINC000750283178 585212786 /nfs/dbraw/zinc/21/27/86/585212786.db2.gz BOHILPSZCIWDTE-IUCAKERBSA-N 1 2 235.158 2.662 20 30 BFEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CC1(Cl)Cl ZINC000750283178 585212787 /nfs/dbraw/zinc/21/27/87/585212787.db2.gz BOHILPSZCIWDTE-IUCAKERBSA-N 1 2 235.158 2.662 20 30 BFEDLO C=C(C)CNC(=S)Nc1ccc(C)[nH+]c1C ZINC000755730224 585305028 /nfs/dbraw/zinc/30/50/28/585305028.db2.gz APVRHXPDTSPEBE-UHFFFAOYSA-N 1 2 235.356 2.561 20 30 BFEDLO CCCCCC[C@H](C)NN=Cc1c[nH+]cn1C ZINC000755753959 585305702 /nfs/dbraw/zinc/30/57/02/585305702.db2.gz OPBGXWGISZDGIA-LBPRGKRZSA-N 1 2 236.363 2.703 20 30 BFEDLO C#CCCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756612507 585321680 /nfs/dbraw/zinc/32/16/80/585321680.db2.gz XVGQDTJJOORMHP-SECBINFHSA-N 1 2 239.265 2.734 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cncc2ccccc21 ZINC000768877490 585545328 /nfs/dbraw/zinc/54/53/28/585545328.db2.gz LYYGGTSWJIWKMV-GFCCVEGCSA-N 1 2 239.322 2.826 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cncc2ccccc21 ZINC000768877490 585545329 /nfs/dbraw/zinc/54/53/29/585545329.db2.gz LYYGGTSWJIWKMV-GFCCVEGCSA-N 1 2 239.322 2.826 20 30 BFEDLO Fc1cccc(Cl)c1N=NCc1[nH]cc[nH+]1 ZINC000769827039 585564894 /nfs/dbraw/zinc/56/48/94/585564894.db2.gz MJMNNICSZOFBNV-UHFFFAOYSA-N 1 2 238.653 2.648 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1cccc(F)c1Cl ZINC000769962275 585567576 /nfs/dbraw/zinc/56/75/76/585567576.db2.gz DRCLVQRSFZSODB-VIFPVBQESA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1cccc(F)c1Cl ZINC000769962275 585567577 /nfs/dbraw/zinc/56/75/77/585567577.db2.gz DRCLVQRSFZSODB-VIFPVBQESA-N 1 2 225.694 2.933 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)COc1ccccc1 ZINC000773185574 585633453 /nfs/dbraw/zinc/63/34/53/585633453.db2.gz VBOTWKDSBIIPAG-UHFFFAOYSA-N 1 2 234.299 2.530 20 30 BFEDLO Cc1ccc(CCC=NNC2CCCC2)c[nH+]1 ZINC000774385845 585657316 /nfs/dbraw/zinc/65/73/16/585657316.db2.gz QZTNPKYFMLKXRQ-UHFFFAOYSA-N 1 2 231.343 2.841 20 30 BFEDLO Cc1ccc(CCC=NOCC(F)F)c[nH+]1 ZINC000774414159 585657825 /nfs/dbraw/zinc/65/78/25/585657825.db2.gz NJLQPGGWWDDPCZ-UHFFFAOYSA-N 1 2 228.242 2.590 20 30 BFEDLO CCC(CC)CNN=Cc1cccc2[nH+]ccn21 ZINC000774464013 585659839 /nfs/dbraw/zinc/65/98/39/585659839.db2.gz SZQHBHKFQSOOAF-UHFFFAOYSA-N 1 2 244.342 2.694 20 30 BFEDLO CO[C@@H]1[C@H](C)[C@@H](/[NH+]=C/c2ccccc2O)C1(C)C ZINC000775632138 585682033 /nfs/dbraw/zinc/68/20/33/585682033.db2.gz WEAHTIKBTNPTDP-VIIJCSFKSA-N 1 2 247.338 2.871 20 30 BFEDLO C[C@H]([NH2+]Cc1ccon1)c1ccc(C#N)c(F)c1 ZINC000776742683 585704016 /nfs/dbraw/zinc/70/40/16/585704016.db2.gz PIXUKEPGMPFTPJ-VIFPVBQESA-N 1 2 245.257 2.536 20 30 BFEDLO CC(C)(C#N)CCO[NH+]=C(N)Cc1ccccc1 ZINC000777751325 585719678 /nfs/dbraw/zinc/71/96/78/585719678.db2.gz IBOGTBJAEMRTEP-UHFFFAOYSA-N 1 2 245.326 2.667 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000785997388 585885012 /nfs/dbraw/zinc/88/50/12/585885012.db2.gz MOSRAQXSEODVQD-LLVKDONJSA-N 1 2 249.358 2.908 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C(C)(C)C)o1 ZINC000785997388 585885013 /nfs/dbraw/zinc/88/50/13/585885013.db2.gz MOSRAQXSEODVQD-LLVKDONJSA-N 1 2 249.358 2.908 20 30 BFEDLO C=CCC[N@@H+](C)Cn1sc2ccccc2c1=O ZINC000786102298 585887460 /nfs/dbraw/zinc/88/74/60/585887460.db2.gz VVAFNDXSIBCTAQ-UHFFFAOYSA-N 1 2 248.351 2.528 20 30 BFEDLO C=CCC[N@H+](C)Cn1sc2ccccc2c1=O ZINC000786102298 585887461 /nfs/dbraw/zinc/88/74/61/585887461.db2.gz VVAFNDXSIBCTAQ-UHFFFAOYSA-N 1 2 248.351 2.528 20 30 BFEDLO N#CCC[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000787299118 585906162 /nfs/dbraw/zinc/90/61/62/585906162.db2.gz YFGSSFNUKQKHEO-UHFFFAOYSA-N 1 2 245.713 2.891 20 30 BFEDLO CCCCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000787362138 585907842 /nfs/dbraw/zinc/90/78/42/585907842.db2.gz VXHMFFPKTCIRCO-LLVKDONJSA-N 1 2 235.318 2.659 20 30 BFEDLO CCCCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000787362138 585907843 /nfs/dbraw/zinc/90/78/43/585907843.db2.gz VXHMFFPKTCIRCO-LLVKDONJSA-N 1 2 235.318 2.659 20 30 BFEDLO C#CCC[NH2+]c1ccc(-n2ccc(C)n2)cc1 ZINC000789699970 585948725 /nfs/dbraw/zinc/94/87/25/585948725.db2.gz ZHUPCWFYRDGWAR-UHFFFAOYSA-N 1 2 225.295 2.616 20 30 BFEDLO CC(=[NH+]Nc1ncccc1C)c1ccc(N)cc1 ZINC000790187608 585960435 /nfs/dbraw/zinc/96/04/35/585960435.db2.gz YKRHIDWNXHKMRQ-UHFFFAOYSA-N 1 2 240.310 2.808 20 30 BFEDLO CCc1ccc(C(C)=NNc2[nH+]ccn2C)s1 ZINC000790299276 585962338 /nfs/dbraw/zinc/96/23/38/585962338.db2.gz ATSLQFYZJDROQI-UHFFFAOYSA-N 1 2 248.355 2.880 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1nccn1-c1ccccc1 ZINC000790966720 585970977 /nfs/dbraw/zinc/97/09/77/585970977.db2.gz FUTSZNIKRVYVCX-UHFFFAOYSA-N 1 2 247.729 2.714 20 30 BFEDLO C=CC[N@H+](CCC#N)CCc1cccs1 ZINC000794733858 586047616 /nfs/dbraw/zinc/04/76/16/586047616.db2.gz GGIFFKLQRTWSCC-UHFFFAOYSA-N 1 2 220.341 2.692 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCc1cccs1 ZINC000794733858 586047617 /nfs/dbraw/zinc/04/76/17/586047617.db2.gz GGIFFKLQRTWSCC-UHFFFAOYSA-N 1 2 220.341 2.692 20 30 BFEDLO CC1(CC/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000794832576 586049700 /nfs/dbraw/zinc/04/97/00/586049700.db2.gz JKGIQXYMORPOIC-ZROIWOOFSA-N 1 2 219.284 2.707 20 30 BFEDLO Cc1ccc2c(N[NH2+]C3CC3)csc2c1 ZINC000797786294 586131246 /nfs/dbraw/zinc/13/12/46/586131246.db2.gz PAQQZJGPIWEURT-UHFFFAOYSA-N 1 2 218.325 2.557 20 30 BFEDLO N#C[C@@H]1CC[C@@H]([NH2+]c2ccc3c(c2)CCO3)C1 ZINC000799722272 586194572 /nfs/dbraw/zinc/19/45/72/586194572.db2.gz DDYKNOFOGNXGQW-ZYHUDNBSSA-N 1 2 228.295 2.726 20 30 BFEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1cn(C)c[nH+]1)C2 ZINC000800793814 586228245 /nfs/dbraw/zinc/22/82/45/586228245.db2.gz QKEKDXSCEVEOSW-KPKJPENVSA-N 1 2 238.290 2.551 20 30 BFEDLO CC1(C)CC[C@H]1/[NH+]=C/c1ccccc1O ZINC000804599443 586399938 /nfs/dbraw/zinc/39/99/38/586399938.db2.gz YUTXHORBDCGHLA-ZMTLZGASSA-N 1 2 203.285 3.000 20 30 BFEDLO CC1(C)CC[C@@H]1/[NH+]=C\c1ccccc1O ZINC000804599413 586402099 /nfs/dbraw/zinc/40/20/99/586402099.db2.gz YUTXHORBDCGHLA-CJAAZZPWSA-N 1 2 203.285 3.000 20 30 BFEDLO CC(C)(CCC#N)C/[NH+]=C\c1cccc(O)c1O ZINC000806549904 586413671 /nfs/dbraw/zinc/41/36/71/586413671.db2.gz BQLXBLYOIMWASY-SXGWCWSVSA-N 1 2 246.310 2.847 20 30 BFEDLO C#Cc1ccc(CNc2ccc(C)[nH+]c2)cc1 ZINC000809628757 586509935 /nfs/dbraw/zinc/50/99/35/586509935.db2.gz QQEOFJLXYCBIBE-UHFFFAOYSA-N 1 2 222.291 2.983 20 30 BFEDLO COc1cccc(O)c1/C=[NH+]/CCC(C)C ZINC000812389815 586575340 /nfs/dbraw/zinc/57/53/40/586575340.db2.gz PIRIUNGCORIUPI-NTEUORMPSA-N 1 2 221.300 2.866 20 30 BFEDLO CCOc1ccc(/C=[NH+]/CCCCF)c(O)c1 ZINC000812444745 586577289 /nfs/dbraw/zinc/57/72/89/586577289.db2.gz MQUWNDHHTKIZMG-XNTDXEJSSA-N 1 2 239.290 2.960 20 30 BFEDLO CO[C@H](C/[NH+]=C/c1ccccc1O)CC(C)C ZINC000841482703 586606349 /nfs/dbraw/zinc/60/63/49/586606349.db2.gz UUQVHSMZDHWAMQ-NCPSJORJSA-N 1 2 235.327 2.872 20 30 BFEDLO CCC(=[NH+]OCC(F)(F)F)c1cccc(N)c1 ZINC000814880133 586641677 /nfs/dbraw/zinc/64/16/77/586641677.db2.gz RKKAOJJZBQWMHF-UHFFFAOYSA-N 1 2 246.232 2.962 20 30 BFEDLO CC(=NOC1CCOCC1)c1ccc(C)[nH+]c1C ZINC000814906508 586647971 /nfs/dbraw/zinc/64/79/71/586647971.db2.gz XVGDWAIOPIQASS-UHFFFAOYSA-N 1 2 248.326 2.618 20 30 BFEDLO CC(=[NH+]OCCC1CC1)c1cc(N)ccc1F ZINC000814941010 586655964 /nfs/dbraw/zinc/65/59/64/586655964.db2.gz LPQYWRSKUGUYMD-UHFFFAOYSA-N 1 2 236.290 2.949 20 30 BFEDLO CC(=NOCC1CC1)c1ccc(C)[nH+]c1C ZINC000814941156 586655986 /nfs/dbraw/zinc/65/59/86/586655986.db2.gz PEIAZPASSKTMRB-UHFFFAOYSA-N 1 2 218.300 2.849 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ccc(OC)cc1Cl ZINC000815286901 586677126 /nfs/dbraw/zinc/67/71/26/586677126.db2.gz JPRBFACJYQJCAB-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO CC#CC[N@H+](C)Cc1ccc(OC)cc1Cl ZINC000815286901 586677127 /nfs/dbraw/zinc/67/71/27/586677127.db2.gz JPRBFACJYQJCAB-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000859833260 589064663 /nfs/dbraw/zinc/06/46/63/589064663.db2.gz DNTDTANUJFYSDY-MRVPVSSYSA-N 1 2 209.667 2.859 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000859833260 589064665 /nfs/dbraw/zinc/06/46/65/589064665.db2.gz DNTDTANUJFYSDY-MRVPVSSYSA-N 1 2 209.667 2.859 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N(C)CC1CC1 ZINC000820634160 587060572 /nfs/dbraw/zinc/06/05/72/587060572.db2.gz LLTCTTNHZKLPMS-UHFFFAOYSA-N 1 2 244.338 2.720 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N1CC[C@H](C)C1 ZINC000820675863 587065988 /nfs/dbraw/zinc/06/59/88/587065988.db2.gz KXNHOIMDGWASLG-ZDUSSCGKSA-N 1 2 244.338 2.720 20 30 BFEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000821309320 587106324 /nfs/dbraw/zinc/10/63/24/587106324.db2.gz RKFWFZLMPBEDCU-NEPJUHHUSA-N 1 2 249.358 2.683 20 30 BFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000821785789 587137804 /nfs/dbraw/zinc/13/78/04/587137804.db2.gz HDZUAZLWTVUPIB-QJPTWQEYSA-N 1 2 247.342 2.607 20 30 BFEDLO C#CCCCC(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822307783 587161560 /nfs/dbraw/zinc/16/15/60/587161560.db2.gz GUCUEAGMUJSMPM-UHFFFAOYSA-N 1 2 248.326 2.554 20 30 BFEDLO CCCn1nccc1C[N@H+](CCC#N)CC(C)C ZINC000824502926 587272207 /nfs/dbraw/zinc/27/22/07/587272207.db2.gz MPUUJRYRNYLBFL-UHFFFAOYSA-N 1 2 248.374 2.665 20 30 BFEDLO CCCn1nccc1C[N@@H+](CCC#N)CC(C)C ZINC000824502926 587272208 /nfs/dbraw/zinc/27/22/08/587272208.db2.gz MPUUJRYRNYLBFL-UHFFFAOYSA-N 1 2 248.374 2.665 20 30 BFEDLO C#Cc1ccc(C[NH2+][C@@H](CC)C(F)F)cc1 ZINC000824510776 587272841 /nfs/dbraw/zinc/27/28/41/587272841.db2.gz ZWMKYCJYHCVIRM-LBPRGKRZSA-N 1 2 223.266 2.801 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1F ZINC000825710644 587333662 /nfs/dbraw/zinc/33/36/62/587333662.db2.gz WHXHPQHIYGVZGQ-QMMMGPOBSA-N 1 2 227.229 2.557 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1F ZINC000825710644 587333663 /nfs/dbraw/zinc/33/36/63/587333663.db2.gz WHXHPQHIYGVZGQ-QMMMGPOBSA-N 1 2 227.229 2.557 20 30 BFEDLO CCCC1CCC(C=[NH+]n2ccnn2)CC1 ZINC000835010713 587777610 /nfs/dbraw/zinc/77/76/10/587777610.db2.gz FETXXXYBVWCXBU-UHFFFAOYSA-N 1 2 220.320 2.719 20 30 BFEDLO C=CC(C)(C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000835238009 587791700 /nfs/dbraw/zinc/79/17/00/587791700.db2.gz ZCXBJQAZNQQPKQ-UHFFFAOYSA-N 1 2 244.294 2.590 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CCC[C@@H]1CCOC1 ZINC000840711657 587917421 /nfs/dbraw/zinc/91/74/21/587917421.db2.gz YIYKPRHMPSVPLY-DYTQJMLRSA-N 1 2 233.311 2.628 20 30 BFEDLO C=CC(C)(C)C/[NH+]=C/c1cccc(O)c1O ZINC000840709236 587917574 /nfs/dbraw/zinc/91/75/74/587917574.db2.gz LSVFZNIEVZYJHP-RIYZIHGNSA-N 1 2 219.284 2.729 20 30 BFEDLO CO[C@@H]1C[C@H](/[NH+]=C/c2ccccc2O)C12CCC2 ZINC000840710701 587917857 /nfs/dbraw/zinc/91/78/57/587917857.db2.gz LVALAUQJBZBDMM-ORDDCKFQSA-N 1 2 245.322 2.769 20 30 BFEDLO CCn1c[nH+]cc1C=NN[C@H](C)c1ccccc1 ZINC000841619863 587960665 /nfs/dbraw/zinc/96/06/65/587960665.db2.gz CMNBEPFSROKERF-GFCCVEGCSA-N 1 2 242.326 2.588 20 30 BFEDLO CC(NNc1[nH+]cccc1F)=C1CC1(F)F ZINC000841637737 587964352 /nfs/dbraw/zinc/96/43/52/587964352.db2.gz VVJLPFRYBRTNGK-ZETCQYMHSA-N 1 2 229.205 2.664 20 30 BFEDLO CCCO[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000842551089 588041395 /nfs/dbraw/zinc/04/13/95/588041395.db2.gz NZCUDHSLSLMJHC-UHFFFAOYSA-N 1 2 228.242 2.698 20 30 BFEDLO CCCON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000842551759 588041757 /nfs/dbraw/zinc/04/17/57/588041757.db2.gz CWQLLUDYMAEHFE-UHFFFAOYSA-N 1 2 232.327 2.805 20 30 BFEDLO Oc1cccc(/C=[NH+]\C2CC3(CCC3)C2)c1O ZINC000844272031 588178860 /nfs/dbraw/zinc/17/88/60/588178860.db2.gz UJGWVNKXQPRJNF-DHDCSXOGSA-N 1 2 231.295 2.849 20 30 BFEDLO C=C[C@@H](C)ON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000844625639 588211098 /nfs/dbraw/zinc/21/10/98/588211098.db2.gz NWUDXPZBUANLOU-CYBMUJFWSA-N 1 2 244.338 2.969 20 30 BFEDLO C=CCC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845285223 588225878 /nfs/dbraw/zinc/22/58/78/588225878.db2.gz QCVXUQGYKQVAKT-RYUDHWBXSA-N 1 2 236.315 2.732 20 30 BFEDLO C=CCCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845287603 588225954 /nfs/dbraw/zinc/22/59/54/588225954.db2.gz YDGQMKQMZMSODB-LBPRGKRZSA-N 1 2 236.315 2.734 20 30 BFEDLO C#CCCCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845506804 588231179 /nfs/dbraw/zinc/23/11/79/588231179.db2.gz IFNLCTXIYPITAF-ZDUSSCGKSA-N 1 2 248.326 2.571 20 30 BFEDLO C#CC[N@@H+](C)Cc1c(Cl)cccc1OCC ZINC000846871859 588294400 /nfs/dbraw/zinc/29/44/00/588294400.db2.gz JUOFUDBAQFFPJH-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO C#CC[N@H+](C)Cc1c(Cl)cccc1OCC ZINC000846871859 588294401 /nfs/dbraw/zinc/29/44/01/588294401.db2.gz JUOFUDBAQFFPJH-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO C[C@@H]1CCCCCC1=NNCCCn1cc[nH+]c1 ZINC000848416412 588381074 /nfs/dbraw/zinc/38/10/74/588381074.db2.gz KMONNFUDDLPNLU-CYBMUJFWSA-N 1 2 248.374 2.819 20 30 BFEDLO C[C@H]1CCC(=NNCCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000848417309 588381377 /nfs/dbraw/zinc/38/13/77/588381377.db2.gz UCDISTAKUDDHAD-STQMWFEESA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@@H]1CC(C)(C)CC1=NNCCCn1cc[nH+]c1 ZINC000848416862 588381400 /nfs/dbraw/zinc/38/14/00/588381400.db2.gz BACRRWJMGRAWIR-GFCCVEGCSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@@H]1CCC(=NNCCCn2cc[nH+]c2)C[C@H]1C ZINC000848417105 588381637 /nfs/dbraw/zinc/38/16/37/588381637.db2.gz KXMKIYWXGIJWTK-CHWSQXEVSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@H]1C(N=NCCCn2cc[nH+]c2)CCC[C@@H]1C ZINC000848419426 588382386 /nfs/dbraw/zinc/38/23/86/588382386.db2.gz XPAMTHDWVUZFQP-QWHCGFSZSA-N 1 2 248.374 2.675 20 30 BFEDLO COC1CC(CC/[NH+]=C/c2ccccc2O)C1 ZINC000849169116 588459497 /nfs/dbraw/zinc/45/94/97/588459497.db2.gz ARXZDTNOKJYQQA-XNTDXEJSSA-N 1 2 233.311 2.626 20 30 BFEDLO CC[C@@H](/[NH+]=C/c1ccccc1O)C1CC1 ZINC000849172557 588459857 /nfs/dbraw/zinc/45/98/57/588459857.db2.gz UVGLOGUQZNMLQV-ZMTLZGASSA-N 1 2 203.285 3.000 20 30 BFEDLO CC[C@H](/[NH+]=C\c1ccccc1O)C1CC1 ZINC000849172554 588460024 /nfs/dbraw/zinc/46/00/24/588460024.db2.gz UVGLOGUQZNMLQV-CJAAZZPWSA-N 1 2 203.285 3.000 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ncc[nH]1 ZINC000850552446 588559755 /nfs/dbraw/zinc/55/97/55/588559755.db2.gz ZKBPDZDDVDXKDM-LLVKDONJSA-N 1 2 232.331 2.534 20 30 BFEDLO C[C@@H](NCC1(C#N)CCCCC1)c1[nH]cc[nH+]1 ZINC000850552446 588559756 /nfs/dbraw/zinc/55/97/56/588559756.db2.gz ZKBPDZDDVDXKDM-LLVKDONJSA-N 1 2 232.331 2.534 20 30 BFEDLO C#CC[N@@H+](CC)Cc1nsc2ccccc21 ZINC000851798837 588630283 /nfs/dbraw/zinc/63/02/83/588630283.db2.gz IFKRSJQREAJZDD-UHFFFAOYSA-N 1 2 230.336 2.751 20 30 BFEDLO C#CC[N@H+](CC)Cc1nsc2ccccc21 ZINC000851798837 588630284 /nfs/dbraw/zinc/63/02/84/588630284.db2.gz IFKRSJQREAJZDD-UHFFFAOYSA-N 1 2 230.336 2.751 20 30 BFEDLO C#CC[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852128587 588665873 /nfs/dbraw/zinc/66/58/73/588665873.db2.gz STAFAVCTKVVSCZ-SECBINFHSA-N 1 2 247.729 2.842 20 30 BFEDLO C#CC[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852128587 588665874 /nfs/dbraw/zinc/66/58/74/588665874.db2.gz STAFAVCTKVVSCZ-SECBINFHSA-N 1 2 247.729 2.842 20 30 BFEDLO C#CC[N@@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852128587 588665875 /nfs/dbraw/zinc/66/58/75/588665875.db2.gz STAFAVCTKVVSCZ-SECBINFHSA-N 1 2 247.729 2.842 20 30 BFEDLO C#CC[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852128587 588665876 /nfs/dbraw/zinc/66/58/76/588665876.db2.gz STAFAVCTKVVSCZ-SECBINFHSA-N 1 2 247.729 2.842 20 30 BFEDLO C=C(C)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852324634 588678671 /nfs/dbraw/zinc/67/86/71/588678671.db2.gz AQYWODQRDVLLBZ-HNNXBMFYSA-N 1 2 241.338 2.515 20 30 BFEDLO C=C(C)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852324634 588678672 /nfs/dbraw/zinc/67/86/72/588678672.db2.gz AQYWODQRDVLLBZ-HNNXBMFYSA-N 1 2 241.338 2.515 20 30 BFEDLO C=CC[N@H+](C/C(Cl)=C\Cl)[C@@H](C)COC ZINC000852356870 588679660 /nfs/dbraw/zinc/67/96/60/588679660.db2.gz QFPGAUUFPBOKFR-CMWXKVOJSA-N 1 2 238.158 2.828 20 30 BFEDLO C=CC[N@@H+](C/C(Cl)=C\Cl)[C@@H](C)COC ZINC000852356870 588679661 /nfs/dbraw/zinc/67/96/61/588679661.db2.gz QFPGAUUFPBOKFR-CMWXKVOJSA-N 1 2 238.158 2.828 20 30 BFEDLO C=CC[N@H+](CC=C(Cl)Cl)[C@@H](C)COC ZINC000852356540 588679665 /nfs/dbraw/zinc/67/96/65/588679665.db2.gz HROWDAJMSMDITL-VIFPVBQESA-N 1 2 238.158 2.828 20 30 BFEDLO C=CC[N@@H+](CC=C(Cl)Cl)[C@@H](C)COC ZINC000852356540 588679666 /nfs/dbraw/zinc/67/96/66/588679666.db2.gz HROWDAJMSMDITL-VIFPVBQESA-N 1 2 238.158 2.828 20 30 BFEDLO C[C@H](C#N)[N@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000852481178 588684372 /nfs/dbraw/zinc/68/43/72/588684372.db2.gz IGKGJICOCTUGTK-BDAKNGLRSA-N 1 2 247.169 2.947 20 30 BFEDLO C[C@H](C#N)[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000852481178 588684373 /nfs/dbraw/zinc/68/43/73/588684373.db2.gz IGKGJICOCTUGTK-BDAKNGLRSA-N 1 2 247.169 2.947 20 30 BFEDLO C=CC[C@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000860899024 589128148 /nfs/dbraw/zinc/12/81/48/589128148.db2.gz RFQUTQJRENQSNQ-JSGCOSHPSA-N 1 2 247.338 2.797 20 30 BFEDLO CCC(=[NH+]OCC(F)(F)F)c1ccc(N)cc1 ZINC000863103324 589256068 /nfs/dbraw/zinc/25/60/68/589256068.db2.gz VGRRAVOQIAVYBG-UHFFFAOYSA-N 1 2 246.232 2.962 20 30 BFEDLO Cc1cccc(N=NCc2c[nH+]cn2C(C)C)n1 ZINC000863160342 589264591 /nfs/dbraw/zinc/26/45/91/589264591.db2.gz AGQFUYNNXLOVFH-UHFFFAOYSA-N 1 2 243.314 2.613 20 30 BFEDLO Cc1ccc(C2CC(=[NH+]n3cccn3)C2)cc1 ZINC000863165780 589267238 /nfs/dbraw/zinc/26/72/38/589267238.db2.gz NTOURUXSZHLWDH-UHFFFAOYSA-N 1 2 225.295 2.973 20 30 BFEDLO COc1cccc(/C=[NH+]\CC2CC=CC2)c1O ZINC000864345226 589353944 /nfs/dbraw/zinc/35/39/44/589353944.db2.gz RDBAKORWZPGLIS-GDNBJRDFSA-N 1 2 231.295 2.786 20 30 BFEDLO C/C=C/C/[NH+]=C\c1cccc(OCC)c1O ZINC000864346125 589354693 /nfs/dbraw/zinc/35/46/93/589354693.db2.gz OABLKKIMAMOMCM-ZECHOEODSA-N 1 2 219.284 2.786 20 30 BFEDLO C[C@H](C#N)[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000864354631 589355097 /nfs/dbraw/zinc/35/50/97/589355097.db2.gz FORONVMALLZFHP-IUODEOHRSA-N 1 2 243.354 2.685 20 30 BFEDLO O=C(/C=C/c1cn(C2CC2)c[nH+]1)c1cscn1 ZINC000865222502 589414669 /nfs/dbraw/zinc/41/46/69/589414669.db2.gz WNDWUDIJYXUNDR-DAFODLJHSA-N 1 2 245.307 2.571 20 30 BFEDLO C[C@H](C#N)CN(C)c1cc[nH+]cc1C(F)(F)F ZINC000865441849 589436081 /nfs/dbraw/zinc/43/60/81/589436081.db2.gz YIQKYOKWTIPWBZ-MRVPVSSYSA-N 1 2 243.232 2.696 20 30 BFEDLO N#CCCCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865510856 589442312 /nfs/dbraw/zinc/44/23/12/589442312.db2.gz ZZMZFDSLLOSITL-UHFFFAOYSA-N 1 2 249.705 2.717 20 30 BFEDLO C[C@@H]([NH2+]CC1CCC1)c1cccc(C#N)c1O ZINC000866242639 589482360 /nfs/dbraw/zinc/48/23/60/589482360.db2.gz LKBZTNPKFYFOSA-SNVBAGLBSA-N 1 2 230.311 2.715 20 30 BFEDLO C[C@H]([NH2+]CCCCC#N)c1cccc(C#N)c1O ZINC000866258510 589483105 /nfs/dbraw/zinc/48/31/05/589483105.db2.gz UNPSOXJFGFAVQZ-NSHDSACASA-N 1 2 243.310 2.608 20 30 BFEDLO CC/C=C/C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866364304 589488268 /nfs/dbraw/zinc/48/82/68/589488268.db2.gz QVMNXUBNJZSACQ-SGUJLRQBSA-N 1 2 230.311 2.881 20 30 BFEDLO Oc1ccccc1/C=[NH+]\[C@@H]1CC12CCC2 ZINC000871598640 589772467 /nfs/dbraw/zinc/77/24/67/589772467.db2.gz WIJBAPAYOURWBX-OJLMPMFISA-N 1 2 201.269 2.754 20 30 BFEDLO CCOC1CC2(C[C@H]2/[NH+]=C\c2ccccc2O)C1 ZINC000871598482 589772806 /nfs/dbraw/zinc/77/28/06/589772806.db2.gz QKZCWABUQWGXJA-KLUCRVBESA-N 1 2 245.322 2.769 20 30 BFEDLO CC(C)(C)c1cn(Cc2ccc(C#N)o2)c[nH+]1 ZINC000871680753 589789549 /nfs/dbraw/zinc/78/95/49/589789549.db2.gz JDEZDCZNMQKSDB-UHFFFAOYSA-N 1 2 229.283 2.694 20 30 BFEDLO CC(C)(C)c1ccc(C[NH2+]CCC#N)o1 ZINC000872233898 589898638 /nfs/dbraw/zinc/89/86/38/589898638.db2.gz IDAFUIUHAZUNNL-UHFFFAOYSA-N 1 2 206.289 2.580 20 30 BFEDLO CNc1ccccc1C=[NH+]OCC(F)(F)F ZINC000872357942 589917914 /nfs/dbraw/zinc/91/79/14/589917914.db2.gz KRCCMUCLYVCKRR-UHFFFAOYSA-N 1 2 232.205 2.641 20 30 BFEDLO Cc1ccc(C[N@H+](CC#N)C2CCCC2)c(O)c1 ZINC000876754229 590238120 /nfs/dbraw/zinc/23/81/20/590238120.db2.gz CZXZGCWPPPQIEO-UHFFFAOYSA-N 1 2 244.338 2.969 20 30 BFEDLO C=CC[C@@H]([NH2+]Cc1ncc(C)o1)c1ccncc1 ZINC000877046935 590274468 /nfs/dbraw/zinc/27/44/68/590274468.db2.gz VBCHDQOLXNLPPJ-CYBMUJFWSA-N 1 2 243.310 2.785 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000877321447 590316650 /nfs/dbraw/zinc/31/66/50/590316650.db2.gz KXUNEVYBMLARTI-SECBINFHSA-N 1 2 237.372 2.690 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877321982 590316666 /nfs/dbraw/zinc/31/66/66/590316666.db2.gz VNNASYQUVNGQIW-QMMMGPOBSA-N 1 2 249.701 2.730 20 30 BFEDLO CC1(C[N@@H+]2CC[C@](F)(C#N)C2)CCCC1 ZINC000877463545 590332482 /nfs/dbraw/zinc/33/24/82/590332482.db2.gz BGNKZLDAJFRRIQ-LBPRGKRZSA-N 1 2 210.296 2.504 20 30 BFEDLO CC1(C[N@H+]2CC[C@](F)(C#N)C2)CCCC1 ZINC000877463545 590332486 /nfs/dbraw/zinc/33/24/86/590332486.db2.gz BGNKZLDAJFRRIQ-LBPRGKRZSA-N 1 2 210.296 2.504 20 30 BFEDLO C#CC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000877606664 590372137 /nfs/dbraw/zinc/37/21/37/590372137.db2.gz HRLIRVRUPUJOLV-UHFFFAOYSA-N 1 2 240.759 2.642 20 30 BFEDLO C=CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)C(=O)OC ZINC000878348090 590552997 /nfs/dbraw/zinc/55/29/97/590552997.db2.gz DWFAODYOFWDSMX-UONOGXRCSA-N 1 2 247.338 2.845 20 30 BFEDLO C=CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000878348663 590553333 /nfs/dbraw/zinc/55/33/33/590553333.db2.gz SHCQMTBFPMOTRE-OCCSQVGLSA-N 1 2 247.338 2.763 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1scnc1Cl ZINC000878383318 590557802 /nfs/dbraw/zinc/55/78/02/590557802.db2.gz NKQFVYYSRMBQDG-UHFFFAOYSA-N 1 2 216.737 2.804 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1scnc1Cl ZINC000878383318 590557803 /nfs/dbraw/zinc/55/78/03/590557803.db2.gz NKQFVYYSRMBQDG-UHFFFAOYSA-N 1 2 216.737 2.804 20 30 BFEDLO C=CCCSCc1cc[nH+]c(N(C)C)c1 ZINC000127583792 590714690 /nfs/dbraw/zinc/71/46/90/590714690.db2.gz AWWNTRYIYZFTRY-UHFFFAOYSA-N 1 2 222.357 2.957 20 30 BFEDLO Cc1[nH+]cnc(NCC2CCC(C#N)CC2)c1C ZINC000882312552 591328313 /nfs/dbraw/zinc/32/83/13/591328313.db2.gz SQNLXWDYBACXTD-UHFFFAOYSA-N 1 2 244.342 2.835 20 30 BFEDLO Cc1cc(NCc2nc(C#N)cs2)c[nH+]c1C ZINC000883341061 591620901 /nfs/dbraw/zinc/62/09/01/591620901.db2.gz HJOHZMPRSZCFPG-UHFFFAOYSA-N 1 2 244.323 2.639 20 30 BFEDLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cccc(C#N)c1O ZINC000883400147 591646918 /nfs/dbraw/zinc/64/69/18/591646918.db2.gz FUWXZGMHCHYPIR-YUMQZZPRSA-N 1 2 240.253 2.568 20 30 BFEDLO C=C[C@H]1CCCCN1c1cc[nH+]c(CC)n1 ZINC000884489469 591955321 /nfs/dbraw/zinc/95/53/21/591955321.db2.gz YRBMTJMMXUSSRB-NSHDSACASA-N 1 2 217.316 2.584 20 30 BFEDLO C=CC[C@H](CC)Nc1cc[nH+]c(CC)n1 ZINC000884497379 591957073 /nfs/dbraw/zinc/95/70/73/591957073.db2.gz XBYFJHSEGNHALW-JTQLQIEISA-N 1 2 205.305 2.806 20 30 BFEDLO C=CC(C)(C)CNc1cc[nH+]c(CC)n1 ZINC000884520797 591964691 /nfs/dbraw/zinc/96/46/91/591964691.db2.gz GIUNHPWTSNKFPO-UHFFFAOYSA-N 1 2 205.305 2.663 20 30 BFEDLO C=CC(C)(C)CC(=O)OCc1c[nH+]ccc1OC ZINC000884648906 592002379 /nfs/dbraw/zinc/00/23/79/592002379.db2.gz LPTOAYGZOKGFHU-UHFFFAOYSA-N 1 2 249.310 2.736 20 30 BFEDLO C#CC[C@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000886365343 592219300 /nfs/dbraw/zinc/21/93/00/592219300.db2.gz GKRBGUZLERCYRK-ZFWWWQNUSA-N 1 2 224.307 2.596 20 30 BFEDLO C#CC[C@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000886365343 592219302 /nfs/dbraw/zinc/21/93/02/592219302.db2.gz GKRBGUZLERCYRK-ZFWWWQNUSA-N 1 2 224.307 2.596 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ncco1 ZINC000886539097 592252908 /nfs/dbraw/zinc/25/29/08/592252908.db2.gz TUUYVGUVFXUTIB-LLVKDONJSA-N 1 2 241.294 2.591 20 30 BFEDLO C=CCC[NH2+][C@](C)(C(=O)OCC)c1ccccc1 ZINC000887127174 592447619 /nfs/dbraw/zinc/44/76/19/592447619.db2.gz JQZLARVNRDONSY-HNNXBMFYSA-N 1 2 247.338 2.631 20 30 BFEDLO COc1cccc(/C=[NH+]/C[C@@H]2C=CCC2)c1O ZINC000887268043 592473424 /nfs/dbraw/zinc/47/34/24/592473424.db2.gz APLYVAKWTLDTLO-HGLKBHAMSA-N 1 2 231.295 2.786 20 30 BFEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1C=CCC1 ZINC000887268287 592473571 /nfs/dbraw/zinc/47/35/71/592473571.db2.gz HVBKENMYBWSTLK-UXEDPAHQSA-N 1 2 201.269 2.777 20 30 BFEDLO CCCCCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140807050 592486526 /nfs/dbraw/zinc/48/65/26/592486526.db2.gz OODVUQSUDROBKS-LLVKDONJSA-N 1 2 237.347 2.947 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\CCC2CC2)c1 ZINC000255360131 631332560 /nfs/dbraw/zinc/33/25/60/631332560.db2.gz ZRISFDVHUFZGJN-ZROIWOOFSA-N 1 2 219.284 2.620 20 30 BFEDLO N#CC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000308858613 631698908 /nfs/dbraw/zinc/69/89/08/631698908.db2.gz VZUHWRJGBHIASQ-UHFFFAOYSA-N 1 2 206.333 2.849 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1Cc1c(F)cncc1F ZINC000934463026 631859542 /nfs/dbraw/zinc/85/95/42/631859542.db2.gz TUBPBEKQEPANKV-SECBINFHSA-N 1 2 224.254 2.510 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1Cc1c(F)cncc1F ZINC000934463026 631859545 /nfs/dbraw/zinc/85/95/45/631859545.db2.gz TUBPBEKQEPANKV-SECBINFHSA-N 1 2 224.254 2.510 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000309526842 632470358 /nfs/dbraw/zinc/47/03/58/632470358.db2.gz CSHDUHGPSABPKX-SNVBAGLBSA-N 1 2 235.718 2.737 20 30 BFEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccco1 ZINC000180315913 633011484 /nfs/dbraw/zinc/01/14/84/633011484.db2.gz SXWKFRHSMZOHEI-VOTSOKGWSA-N 1 2 238.246 2.823 20 30 BFEDLO C#C[C@@H](CC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000310038429 634064695 /nfs/dbraw/zinc/06/46/95/634064695.db2.gz WBTABOVCOVYHIF-JTQLQIEISA-N 1 2 241.693 2.686 20 30 BFEDLO N#CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000336656622 635202533 /nfs/dbraw/zinc/20/25/33/635202533.db2.gz AKOBWSOCWNLKBP-UHFFFAOYSA-N 1 2 234.246 2.770 20 30 BFEDLO O=C1c2ccccc2CC/C1=C\c1[nH]cc[nH+]1 ZINC000067647673 636758398 /nfs/dbraw/zinc/75/83/98/636758398.db2.gz COIZNYUZCBLUMI-PKNBQFBNSA-N 1 2 224.263 2.622 20 30 BFEDLO C[C@@H](C#N)[N@H+](CC1CCC(C#N)CC1)C1CC1 ZINC000930972997 640007649 /nfs/dbraw/zinc/00/76/49/640007649.db2.gz FGUMWRAVNSIHLG-HIFPTAJRSA-N 1 2 231.343 2.693 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CC1CCC(C#N)CC1)C1CC1 ZINC000930972997 640007656 /nfs/dbraw/zinc/00/76/56/640007656.db2.gz FGUMWRAVNSIHLG-HIFPTAJRSA-N 1 2 231.343 2.693 20 30 BFEDLO COCc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932150077 640442122 /nfs/dbraw/zinc/44/21/22/640442122.db2.gz DYAJBTSDOUVCPB-OAHLLOKOSA-N 1 2 244.338 2.569 20 30 BFEDLO COCc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932150077 640442126 /nfs/dbraw/zinc/44/21/26/640442126.db2.gz DYAJBTSDOUVCPB-OAHLLOKOSA-N 1 2 244.338 2.569 20 30 BFEDLO C#CC[N@@H+](CC=C(Cl)Cl)C(C)C ZINC000932384357 640510676 /nfs/dbraw/zinc/51/06/76/640510676.db2.gz PZJDOCXPDAQXCL-UHFFFAOYSA-N 1 2 206.116 2.649 20 30 BFEDLO C#CC[N@H+](CC=C(Cl)Cl)C(C)C ZINC000932384357 640510685 /nfs/dbraw/zinc/51/06/85/640510685.db2.gz PZJDOCXPDAQXCL-UHFFFAOYSA-N 1 2 206.116 2.649 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000227259007 640822222 /nfs/dbraw/zinc/82/22/22/640822222.db2.gz GXOCESOBRLKAOH-UVCVVPOWSA-N 1 2 226.323 2.935 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000227259007 640822225 /nfs/dbraw/zinc/82/22/25/640822225.db2.gz GXOCESOBRLKAOH-UVCVVPOWSA-N 1 2 226.323 2.935 20 30 BFEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000595620195 640826166 /nfs/dbraw/zinc/82/61/66/640826166.db2.gz KCWFTEMTIYCSJY-NSHDSACASA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000595620195 640826167 /nfs/dbraw/zinc/82/61/67/640826167.db2.gz KCWFTEMTIYCSJY-NSHDSACASA-N 1 2 235.356 2.577 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229316470 640946128 /nfs/dbraw/zinc/94/61/28/640946128.db2.gz VKXVDZJCRYANPR-KBPBESRZSA-N 1 2 248.370 2.714 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229316470 640946132 /nfs/dbraw/zinc/94/61/32/640946132.db2.gz VKXVDZJCRYANPR-KBPBESRZSA-N 1 2 248.370 2.714 20 30 BFEDLO C#C[C@@H](CC)[NH2+]Cc1cccc(Cl)c1O ZINC000229896767 640992111 /nfs/dbraw/zinc/99/21/11/640992111.db2.gz FPFNJCFLDRXOFR-JTQLQIEISA-N 1 2 223.703 2.547 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1Cc1cnc(Cl)s1 ZINC000934466203 641162018 /nfs/dbraw/zinc/16/20/18/641162018.db2.gz QATZDNVRKYJBST-MRVPVSSYSA-N 1 2 228.748 2.947 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cnc(Cl)s1 ZINC000934466203 641162023 /nfs/dbraw/zinc/16/20/23/641162023.db2.gz QATZDNVRKYJBST-MRVPVSSYSA-N 1 2 228.748 2.947 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1noc2c1CCCC2 ZINC000934511420 641177035 /nfs/dbraw/zinc/17/70/35/641177035.db2.gz NFRVRSGPPUHAED-LBPRGKRZSA-N 1 2 244.338 2.541 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1noc2c1CCCC2 ZINC000934511420 641177038 /nfs/dbraw/zinc/17/70/38/641177038.db2.gz NFRVRSGPPUHAED-LBPRGKRZSA-N 1 2 244.338 2.541 20 30 BFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1ccc(F)nc1 ZINC000929428119 641313953 /nfs/dbraw/zinc/31/39/53/641313953.db2.gz CELXAWWIASOMRK-WDEREUQCSA-N 1 2 235.306 2.763 20 30 BFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1ccc(F)nc1 ZINC000929428119 641313957 /nfs/dbraw/zinc/31/39/57/641313957.db2.gz CELXAWWIASOMRK-WDEREUQCSA-N 1 2 235.306 2.763 20 30 BFEDLO CC(C)CCC/[NH+]=C/c1cccc(O)c1O ZINC000914558071 641735230 /nfs/dbraw/zinc/73/52/30/641735230.db2.gz REQJQMQMVQUGQY-NTEUORMPSA-N 1 2 221.300 2.953 20 30 BFEDLO CCCCCCCC[N@H+](C)Cc1nnc[nH]1 ZINC000174812099 641854539 /nfs/dbraw/zinc/85/45/39/641854539.db2.gz NDUOKUNSYYSJOU-UHFFFAOYSA-N 1 2 224.352 2.597 20 30 BFEDLO CCCCCCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000174812099 641854547 /nfs/dbraw/zinc/85/45/47/641854547.db2.gz NDUOKUNSYYSJOU-UHFFFAOYSA-N 1 2 224.352 2.597 20 30 BFEDLO CC(C)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000917579615 642092818 /nfs/dbraw/zinc/09/28/18/642092818.db2.gz UJRZKEQPJAIBFL-UHFFFAOYSA-N 1 2 249.358 2.849 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H](C)C2CC2)c1 ZINC000920177411 642448381 /nfs/dbraw/zinc/44/83/81/642448381.db2.gz GOHVTQFYWCRLGA-XBDQXEDDSA-N 1 2 233.311 2.866 20 30 BFEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccnc1 ZINC000180307779 642783579 /nfs/dbraw/zinc/78/35/79/642783579.db2.gz IAHMDVVLLQAOSG-VOTSOKGWSA-N 1 2 249.273 2.625 20 30 BFEDLO CCCCCCCCC[N@H+](C)Cc1cnn[nH]1 ZINC000827484526 645080842 /nfs/dbraw/zinc/08/08/42/645080842.db2.gz ZKVAUNZRYNBCMH-UHFFFAOYSA-N 1 2 238.379 2.987 20 30 BFEDLO CCCCCCCCC[N@@H+](C)Cc1cnn[nH]1 ZINC000827484526 645080847 /nfs/dbraw/zinc/08/08/47/645080847.db2.gz ZKVAUNZRYNBCMH-UHFFFAOYSA-N 1 2 238.379 2.987 20 30 BFEDLO CCCCCCCCC[N@H+](C)Cc1c[nH]nn1 ZINC000827484526 645080853 /nfs/dbraw/zinc/08/08/53/645080853.db2.gz ZKVAUNZRYNBCMH-UHFFFAOYSA-N 1 2 238.379 2.987 20 30 BFEDLO CCCCCCCCC[N@@H+](C)Cc1c[nH]nn1 ZINC000827484526 645080858 /nfs/dbraw/zinc/08/08/58/645080858.db2.gz ZKVAUNZRYNBCMH-UHFFFAOYSA-N 1 2 238.379 2.987 20 30 BFEDLO CC[N@H+](CCC#N)C[C@]1(C)CC1(Cl)Cl ZINC000827969740 645089494 /nfs/dbraw/zinc/08/94/94/645089494.db2.gz VPESOWDOBSGAKZ-VIFPVBQESA-N 1 2 235.158 2.806 20 30 BFEDLO CC[N@@H+](CCC#N)C[C@]1(C)CC1(Cl)Cl ZINC000827969740 645089497 /nfs/dbraw/zinc/08/94/97/645089497.db2.gz VPESOWDOBSGAKZ-VIFPVBQESA-N 1 2 235.158 2.806 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828040438 645091722 /nfs/dbraw/zinc/09/17/22/645091722.db2.gz HMMHATDAHZQHPB-RKDXNWHRSA-N 1 2 235.158 2.804 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000828040438 645091723 /nfs/dbraw/zinc/09/17/23/645091723.db2.gz HMMHATDAHZQHPB-RKDXNWHRSA-N 1 2 235.158 2.804 20 30 BFEDLO C=C(Cl)C[N@H+]1CC(C)(C)OC[C@@H]1CC ZINC000844383699 645325027 /nfs/dbraw/zinc/32/50/27/645325027.db2.gz MHIMBRREFPOSNW-JTQLQIEISA-N 1 2 217.740 2.628 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC(C)(C)OC[C@@H]1CC ZINC000844383699 645325034 /nfs/dbraw/zinc/32/50/34/645325034.db2.gz MHIMBRREFPOSNW-JTQLQIEISA-N 1 2 217.740 2.628 20 30 BFEDLO COCc1cc[nH+]c(N[C@H](C)CC(C)(C)C#N)c1 ZINC000926662450 645342258 /nfs/dbraw/zinc/34/22/58/645342258.db2.gz RDNQKWYKYFVTFA-LLVKDONJSA-N 1 2 247.342 2.968 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)nc1Cl ZINC000846980291 645410787 /nfs/dbraw/zinc/41/07/87/645410787.db2.gz HBSOXGWOYGXBPZ-NSHDSACASA-N 1 2 237.734 2.825 20 30 BFEDLO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(C#N)c1O ZINC000924797983 646110889 /nfs/dbraw/zinc/11/08/89/646110889.db2.gz LISXNALAWCRGPP-OSMZGAPFSA-N 1 2 244.338 2.961 20 30 BFEDLO CC[C@@H]([NH2+]CCCF)c1cccc(C#N)c1O ZINC000925555032 646331994 /nfs/dbraw/zinc/33/19/94/646331994.db2.gz CWHGQPOYSFRFMR-GFCCVEGCSA-N 1 2 236.290 2.664 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929831782 646347979 /nfs/dbraw/zinc/34/79/79/646347979.db2.gz QHNSZIZRNQAOLL-JTQLQIEISA-N 1 2 247.729 2.946 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929831782 646347983 /nfs/dbraw/zinc/34/79/83/646347983.db2.gz QHNSZIZRNQAOLL-JTQLQIEISA-N 1 2 247.729 2.946 20 30 BFEDLO C=CC[N@@H+](CCC#N)C1CC(OC(C)(C)C)C1 ZINC000451055558 711949212 /nfs/dbraw/zinc/94/92/12/711949212.db2.gz DUGJNRIKGVVQQW-UHFFFAOYSA-N 1 2 236.359 2.734 20 30 BFEDLO C=CC[N@H+](CCC#N)C1CC(OC(C)(C)C)C1 ZINC000451055558 711949216 /nfs/dbraw/zinc/94/92/16/711949216.db2.gz DUGJNRIKGVVQQW-UHFFFAOYSA-N 1 2 236.359 2.734 20 30 BFEDLO C=CC[N@H+](CC(=C)Br)C(C)C ZINC000388121837 711051293 /nfs/dbraw/zinc/05/12/93/711051293.db2.gz LLZLCPJSFQNDBV-UHFFFAOYSA-N 1 2 218.138 2.791 20 30 BFEDLO C=CC[N@@H+](CC(=C)Br)C(C)C ZINC000388121837 711051298 /nfs/dbraw/zinc/05/12/98/711051298.db2.gz LLZLCPJSFQNDBV-UHFFFAOYSA-N 1 2 218.138 2.791 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)cs1 ZINC000389752985 711089528 /nfs/dbraw/zinc/08/95/28/711089528.db2.gz ZNYFMGPARYGNAR-NSHDSACASA-N 1 2 220.341 2.792 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)cs1 ZINC000389752985 711089532 /nfs/dbraw/zinc/08/95/32/711089532.db2.gz ZNYFMGPARYGNAR-NSHDSACASA-N 1 2 220.341 2.792 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1F ZINC000393766011 711173865 /nfs/dbraw/zinc/17/38/65/711173865.db2.gz BWZSRETUTXRVAU-JTQLQIEISA-N 1 2 218.275 2.780 20 30 BFEDLO CC(=[NH+]NCC(F)F)c1ccc(Cl)c(N)c1 ZINC000382403094 711618374 /nfs/dbraw/zinc/61/83/74/711618374.db2.gz QXUUZCHDTOEZFK-UHFFFAOYSA-N 1 2 247.676 2.501 20 30 BFEDLO C#CC[N@H+](Cc1cccc(O)c1Cl)C(C)C ZINC000897170667 711784714 /nfs/dbraw/zinc/78/47/14/711784714.db2.gz DXRLENIMZUBPNR-UHFFFAOYSA-N 1 2 237.730 2.889 20 30 BFEDLO C#CC[N@@H+](Cc1cccc(O)c1Cl)C(C)C ZINC000897170667 711784715 /nfs/dbraw/zinc/78/47/15/711784715.db2.gz DXRLENIMZUBPNR-UHFFFAOYSA-N 1 2 237.730 2.889 20 30 BFEDLO N#C[C@H]1CCC[N@H+](CCOC2CCCCC2)C1 ZINC000701399370 712022769 /nfs/dbraw/zinc/02/27/69/712022769.db2.gz RBEAHONCRCWLBM-CYBMUJFWSA-N 1 2 236.359 2.571 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](CCOC2CCCCC2)C1 ZINC000701399370 712022770 /nfs/dbraw/zinc/02/27/70/712022770.db2.gz RBEAHONCRCWLBM-CYBMUJFWSA-N 1 2 236.359 2.571 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1F ZINC000036679760 712478034 /nfs/dbraw/zinc/47/80/34/712478034.db2.gz LTJQSGXEMXXCOT-LLVKDONJSA-N 1 2 206.264 2.608 20 30 BFEDLO CCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932160119 712716755 /nfs/dbraw/zinc/71/67/55/712716755.db2.gz VBFMBHLMMICVQS-AWEZNQCLSA-N 1 2 244.338 2.821 20 30 BFEDLO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932160119 712716759 /nfs/dbraw/zinc/71/67/59/712716759.db2.gz VBFMBHLMMICVQS-AWEZNQCLSA-N 1 2 244.338 2.821 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(Cl)s1 ZINC000718808213 712783470 /nfs/dbraw/zinc/78/34/70/712783470.db2.gz SWIHCMQRGMUCQQ-SSDOTTSWSA-N 1 2 229.736 2.578 20 30 BFEDLO C[C@@H](CC(F)(F)F)[N@@H+]1CCC[C@H](C#N)C1 ZINC001255656233 970429999 /nfs/dbraw/zinc/42/99/99/970429999.db2.gz RQLINWDDKZGXQJ-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@@H](CC(F)(F)F)[N@H+]1CCC[C@H](C#N)C1 ZINC001255656233 970430007 /nfs/dbraw/zinc/43/00/07/970430007.db2.gz RQLINWDDKZGXQJ-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@H](CC(F)(F)F)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001255656232 970432979 /nfs/dbraw/zinc/43/29/79/970432979.db2.gz RQLINWDDKZGXQJ-BDAKNGLRSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@H](CC(F)(F)F)[N@H+]1CCC[C@@H](C#N)C1 ZINC001255656232 970433000 /nfs/dbraw/zinc/43/30/00/970433000.db2.gz RQLINWDDKZGXQJ-BDAKNGLRSA-N 1 2 220.238 2.563 20 30 BFEDLO CCC#C[C@H](C)Oc1c(C)cc[nH+]c1C ZINC001227265662 975336568 /nfs/dbraw/zinc/33/65/68/975336568.db2.gz VNMOPVDEAXNELO-NSHDSACASA-N 1 2 203.285 2.879 20 30 BFEDLO C=C(C)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001174786365 977010456 /nfs/dbraw/zinc/01/04/56/977010456.db2.gz FDLYEWMMLZZQIQ-UHFFFAOYSA-N 1 2 233.340 2.553 20 30 BFEDLO C=C(C)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001174786365 977010470 /nfs/dbraw/zinc/01/04/70/977010470.db2.gz FDLYEWMMLZZQIQ-UHFFFAOYSA-N 1 2 233.340 2.553 20 30 BFEDLO CC(C)COCC[C@H](C)[NH2+][C@](C)(C#N)C(C)C ZINC001172461622 974825204 /nfs/dbraw/zinc/82/52/04/974825204.db2.gz IPZOIIXSVNWYQY-UONOGXRCSA-N 1 2 240.391 2.965 20 30 BFEDLO C#Cc1cc(Nc2cccc(OC)c2C)cc[nH+]1 ZINC001215797118 970847997 /nfs/dbraw/zinc/84/79/97/970847997.db2.gz PHDVYYXSWVPFRA-UHFFFAOYSA-N 1 2 238.290 2.545 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccsc1 ZINC001204039117 970910872 /nfs/dbraw/zinc/91/08/72/970910872.db2.gz IINIEBHRAISEMM-UHFFFAOYSA-N 1 2 208.330 2.874 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccsc1 ZINC001204039117 970910880 /nfs/dbraw/zinc/91/08/80/970910880.db2.gz IINIEBHRAISEMM-UHFFFAOYSA-N 1 2 208.330 2.874 20 30 BFEDLO Cc1ccc(N(C)c2[nH+]cccc2N)cc1C#N ZINC001216072918 970920013 /nfs/dbraw/zinc/92/00/13/970920013.db2.gz HVFNSRJKXRLADB-UHFFFAOYSA-N 1 2 238.294 2.612 20 30 BFEDLO Cc1c[nH+]c(NCCC2CCC2)c(/C=N/O)c1 ZINC001158051871 971052114 /nfs/dbraw/zinc/05/21/14/971052114.db2.gz PADZTDAJDJOJGO-CXUHLZMHSA-N 1 2 233.315 2.800 20 30 BFEDLO CCC(C#N)(CC)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257084429 971097149 /nfs/dbraw/zinc/09/71/49/971097149.db2.gz BGCUODZIKUBMRG-QWRGUYRKSA-N 1 2 224.348 2.614 20 30 BFEDLO CC#C[C@@H](CC)OCCCCC(=[NH2+])OCC ZINC001224964927 974106442 /nfs/dbraw/zinc/10/64/42/974106442.db2.gz DRHLBNSBIHQAHG-GFCCVEGCSA-N 1 2 225.332 2.989 20 30 BFEDLO C=C1C[C@@H]2CC([N@@H+](C)[C@@H](C)C#N)C[C@H](C1)C2 ZINC001257894541 971527374 /nfs/dbraw/zinc/52/73/74/971527374.db2.gz YYDBKMFLRBSJLS-ICIURTGMSA-N 1 2 218.344 2.965 20 30 BFEDLO C=C1C[C@@H]2CC([N@H+](C)[C@@H](C)C#N)C[C@H](C1)C2 ZINC001257894541 971527385 /nfs/dbraw/zinc/52/73/85/971527385.db2.gz YYDBKMFLRBSJLS-ICIURTGMSA-N 1 2 218.344 2.965 20 30 BFEDLO CC1(C)[C@@H]2C[C@@H]([NH2+]C3(C#N)CCCC3)C[C@@H]21 ZINC001170724947 971659821 /nfs/dbraw/zinc/65/98/21/971659821.db2.gz RNBOWHXZCGVAOX-CNDDSTCGSA-N 1 2 218.344 2.847 20 30 BFEDLO CCc1cc(Nc2ccc(N)[nH+]c2)ccc1C#N ZINC001159281879 971805515 /nfs/dbraw/zinc/80/55/15/971805515.db2.gz HAGYYFGYSDPWFK-UHFFFAOYSA-N 1 2 238.294 2.841 20 30 BFEDLO C=CC[C@@H](Oc1cc(N)cc[nH+]1)C(C)C ZINC001218436694 971816103 /nfs/dbraw/zinc/81/61/03/971816103.db2.gz QSNNORRFWCWQGP-LLVKDONJSA-N 1 2 206.289 2.643 20 30 BFEDLO Cc1cccc(-c2c[nH+]c(N)c(C)c2)c1C#N ZINC001245537943 971851846 /nfs/dbraw/zinc/85/18/46/971851846.db2.gz HWIMHHKHMGEQTE-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO C=C(C)CN(CC)c1nc(C)[nH+]c2c1CCC2 ZINC001167050662 956922076 /nfs/dbraw/zinc/92/20/76/956922076.db2.gz FLJPZOVDMPGEQL-UHFFFAOYSA-N 1 2 231.343 2.676 20 30 BFEDLO Cc1cc([NH2+]CCCS)ccc1N(C)C ZINC001171003188 972228160 /nfs/dbraw/zinc/22/81/60/972228160.db2.gz NFKAOTPGDGKKRY-UHFFFAOYSA-N 1 2 224.373 2.793 20 30 BFEDLO Cc1cc(NCCCS)ccc1[NH+](C)C ZINC001171003188 972228166 /nfs/dbraw/zinc/22/81/66/972228166.db2.gz NFKAOTPGDGKKRY-UHFFFAOYSA-N 1 2 224.373 2.793 20 30 BFEDLO SCCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001171002695 972229377 /nfs/dbraw/zinc/22/93/77/972229377.db2.gz YICORGKDLUZBGD-UHFFFAOYSA-N 1 2 247.367 2.663 20 30 BFEDLO CC/C=C\CC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208724922 957142690 /nfs/dbraw/zinc/14/26/90/957142690.db2.gz FOPJLLGYPSQDDH-VSQXVHSFSA-N 1 2 237.368 2.617 20 30 BFEDLO CC/C=C\CC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208724922 957142682 /nfs/dbraw/zinc/14/26/82/957142682.db2.gz FOPJLLGYPSQDDH-VSQXVHSFSA-N 1 2 237.368 2.617 20 30 BFEDLO Cc1cc(C[N@H+](C)CCC#N)cc(C)c1F ZINC001143377308 957379001 /nfs/dbraw/zinc/37/90/01/957379001.db2.gz SZQUSLDVROMMTO-UHFFFAOYSA-N 1 2 220.291 2.788 20 30 BFEDLO Cc1cc(C[N@@H+](C)CCC#N)cc(C)c1F ZINC001143377308 957379010 /nfs/dbraw/zinc/37/90/10/957379010.db2.gz SZQUSLDVROMMTO-UHFFFAOYSA-N 1 2 220.291 2.788 20 30 BFEDLO Cn1c2ccccc2[nH+]c1Nc1cncc(C#N)c1 ZINC001210082763 957635003 /nfs/dbraw/zinc/63/50/03/957635003.db2.gz ADPOSFAQCZOHNK-UHFFFAOYSA-N 1 2 249.277 2.584 20 30 BFEDLO C=C[C@@H](CCCC)OCCn1cc[nH+]c1 ZINC001222139959 972389671 /nfs/dbraw/zinc/38/96/71/972389671.db2.gz ZFEZWAVFCBSNOR-LBPRGKRZSA-N 1 2 208.305 2.645 20 30 BFEDLO N#Cc1ccccc1CNc1ccn2cc[nH+]c2c1 ZINC001167635730 959161709 /nfs/dbraw/zinc/16/17/09/959161709.db2.gz RNNRUYMBHKYOJD-UHFFFAOYSA-N 1 2 248.289 2.818 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccnc2ccccc12 ZINC000092347660 959685490 /nfs/dbraw/zinc/68/54/90/959685490.db2.gz GNLIAFUFSQFQPC-UHFFFAOYSA-N 1 2 225.295 2.580 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccnc2ccccc12 ZINC000092347660 959685505 /nfs/dbraw/zinc/68/55/05/959685505.db2.gz GNLIAFUFSQFQPC-UHFFFAOYSA-N 1 2 225.295 2.580 20 30 BFEDLO C=CCn1cc(-c2cc(C)c3[nH+]ccn3c2)cn1 ZINC001222395773 972455178 /nfs/dbraw/zinc/45/51/78/972455178.db2.gz MKJLHSVORISXDT-UHFFFAOYSA-N 1 2 238.294 2.692 20 30 BFEDLO C#CC[N@@H+](C)Cc1cc(F)c(Cl)cc1F ZINC001140701198 960507324 /nfs/dbraw/zinc/50/73/24/960507324.db2.gz BTPVKLBKCJVBTI-UHFFFAOYSA-N 1 2 229.657 2.683 20 30 BFEDLO C#CC[N@H+](C)Cc1cc(F)c(Cl)cc1F ZINC001140701198 960507329 /nfs/dbraw/zinc/50/73/29/960507329.db2.gz BTPVKLBKCJVBTI-UHFFFAOYSA-N 1 2 229.657 2.683 20 30 BFEDLO N#C[C@H]1CC[C@H](Nc2ccn3cc[nH+]c3c2)CC1 ZINC001167844789 961248326 /nfs/dbraw/zinc/24/83/26/961248326.db2.gz UNTGSAMQPWPDJS-HAQNSBGRSA-N 1 2 240.310 2.829 20 30 BFEDLO Cc1cccnc1C[N@@H+](CCC#N)CC(C)C ZINC000124120654 961638269 /nfs/dbraw/zinc/63/82/69/961638269.db2.gz MCXQOFBSFCBANO-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO Cc1cccnc1C[N@H+](CCC#N)CC(C)C ZINC000124120654 961638282 /nfs/dbraw/zinc/63/82/82/961638282.db2.gz MCXQOFBSFCBANO-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001143252213 961971456 /nfs/dbraw/zinc/97/14/56/961971456.db2.gz UUKIDIIAYKEFRV-LLVKDONJSA-N 1 2 236.265 2.970 20 30 BFEDLO N#C[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001143252213 961971463 /nfs/dbraw/zinc/97/14/63/961971463.db2.gz UUKIDIIAYKEFRV-LLVKDONJSA-N 1 2 236.265 2.970 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001143252214 961971521 /nfs/dbraw/zinc/97/15/21/961971521.db2.gz UUKIDIIAYKEFRV-NSHDSACASA-N 1 2 236.265 2.970 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001143252214 961971530 /nfs/dbraw/zinc/97/15/30/961971530.db2.gz UUKIDIIAYKEFRV-NSHDSACASA-N 1 2 236.265 2.970 20 30 BFEDLO Cc1ccc(C#N)c(NC(=[NH2+])C(C)(C)C)n1 ZINC001155181760 963007685 /nfs/dbraw/zinc/00/76/85/963007685.db2.gz ZLQHNYYPDSYGHG-UHFFFAOYSA-N 1 2 216.288 2.697 20 30 BFEDLO CC(=O)C=C(C)Nc1cc(C)c(C)c[nH+]1 ZINC001155890905 963192676 /nfs/dbraw/zinc/19/26/76/963192676.db2.gz GSTLGMAORBINLW-POHAHGRESA-N 1 2 204.273 2.603 20 30 BFEDLO COc1c[nH+]c(NCCCCC#N)c(C)c1 ZINC001157641042 963688408 /nfs/dbraw/zinc/68/84/08/963688408.db2.gz IGQKMZZBZYQCNQ-UHFFFAOYSA-N 1 2 219.288 2.504 20 30 BFEDLO C#Cc1cc(Nc2cc(C)c(O)c(C)c2)cc[nH+]1 ZINC001211903959 963739144 /nfs/dbraw/zinc/73/91/44/963739144.db2.gz NDURNHHQHLMJKI-UHFFFAOYSA-N 1 2 238.290 2.551 20 30 BFEDLO Cc1c[nH+]c(NC=CC(=O)C(F)(F)F)cc1C ZINC001158560621 963887113 /nfs/dbraw/zinc/88/71/13/963887113.db2.gz TUVBNDFZBORKFJ-ONEGZZNKSA-N 1 2 244.216 2.755 20 30 BFEDLO C#C[C@@](C)(CC)Nc1[nH+]c(C)ccc1OC ZINC001158736933 963911973 /nfs/dbraw/zinc/91/19/73/963911973.db2.gz ADQWIDLCQIGRGH-ZDUSSCGKSA-N 1 2 218.300 2.612 20 30 BFEDLO C#C[C@](C)(CC)Nc1[nH+]ccc(C)c1NC(C)=O ZINC001158743683 963914023 /nfs/dbraw/zinc/91/40/23/963914023.db2.gz YOILPPHTTYUBQE-CQSZACIVSA-N 1 2 245.326 2.562 20 30 BFEDLO C#C[C@@](C)(CC)Nc1nc(C)[nH+]c(C)c1C ZINC001158742143 963915068 /nfs/dbraw/zinc/91/50/68/963915068.db2.gz BUQDLRROUUROKB-ZDUSSCGKSA-N 1 2 217.316 2.616 20 30 BFEDLO C=C[C@@H](CO)Nc1cc(C)c2cccc(C)c2[nH+]1 ZINC001158813615 963932749 /nfs/dbraw/zinc/93/27/49/963932749.db2.gz XEPYLBNOQUSHAO-LBPRGKRZSA-N 1 2 242.322 2.810 20 30 BFEDLO N#Cc1c[nH]c2cc[nH+]c(N3C4CCC3CC4)c12 ZINC001159082863 963992613 /nfs/dbraw/zinc/99/26/13/963992613.db2.gz SGGQZBCUMDTHIX-UHFFFAOYSA-N 1 2 238.294 2.566 20 30 BFEDLO C=CCCCNc1[nH+]cc(OC)cc1C ZINC001159259315 964032606 /nfs/dbraw/zinc/03/26/06/964032606.db2.gz BRGKEHQZUQSWDI-UHFFFAOYSA-N 1 2 206.289 2.777 20 30 BFEDLO C=CCCCNc1nc(C)[nH+]c2c1CCC2 ZINC001159261921 964040349 /nfs/dbraw/zinc/04/03/49/964040349.db2.gz BGABUWPRVJOSKO-UHFFFAOYSA-N 1 2 217.316 2.652 20 30 BFEDLO CSc1c[nH+]c(NCCCS)c(C)c1 ZINC001159869550 964212331 /nfs/dbraw/zinc/21/23/31/964212331.db2.gz JYJUFVHLEVEDJI-UHFFFAOYSA-N 1 2 228.386 2.844 20 30 BFEDLO CCSc1cc[nH+]c(NCCCS)c1 ZINC001159871652 964220207 /nfs/dbraw/zinc/22/02/07/964220207.db2.gz NVGBDKFFXOMPIJ-UHFFFAOYSA-N 1 2 228.386 2.925 20 30 BFEDLO C=CCc1cc(C)c[nH+]c1NC1(CC)COC1 ZINC001168322486 964442229 /nfs/dbraw/zinc/44/22/29/964442229.db2.gz WTCOBDSGVJBNQQ-UHFFFAOYSA-N 1 2 232.327 2.709 20 30 BFEDLO N#Cc1cc(N)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213033808 964644848 /nfs/dbraw/zinc/64/48/48/964644848.db2.gz YIKSWQPDMBQINE-UHFFFAOYSA-N 1 2 249.277 2.760 20 30 BFEDLO CC(C)(C)CNc1[nH+]cccc1CC#N ZINC001161636617 964654291 /nfs/dbraw/zinc/65/42/91/964654291.db2.gz HWCLVFPWTGYCGO-UHFFFAOYSA-N 1 2 203.289 2.606 20 30 BFEDLO C#CCNc1cc([NH+](CC)CC)ccc1C ZINC001163372802 965372722 /nfs/dbraw/zinc/37/27/22/965372722.db2.gz VZZIYJLQYVGINT-UHFFFAOYSA-N 1 2 216.328 2.886 20 30 BFEDLO C=C(C)CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001163376194 965377139 /nfs/dbraw/zinc/37/71/39/965377139.db2.gz WYDIUMTWASIKRM-UHFFFAOYSA-N 1 2 242.326 2.684 20 30 BFEDLO C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001232674349 965394750 /nfs/dbraw/zinc/39/47/50/965394750.db2.gz XQXBLDFCXRFLPN-LBPRGKRZSA-N 1 2 244.338 2.886 20 30 BFEDLO C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)CC1 ZINC001232674349 965394764 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969996951 /nfs/dbraw/zinc/99/69/51/969996951.db2.gz UMOANSXDHBRFEH-STQMWFEESA-N 1 2 248.370 2.902 20 30 BFEDLO CCCN(C)c1[nH+]ccc2ccc(C#N)cc21 ZINC001156873215 970016015 /nfs/dbraw/zinc/01/60/15/970016015.db2.gz CZQQDFVTDBVMKN-UHFFFAOYSA-N 1 2 225.295 2.953 20 30 BFEDLO C[C@H]1CC(=O)C=C(Nc2cccc3[nH+]ccn32)C1 ZINC001210766479 970018979 /nfs/dbraw/zinc/01/89/79/970018979.db2.gz NEVCHKUDTCHMPE-SNVBAGLBSA-N 1 2 241.294 2.629 20 30 BFEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCCC)C(=O)OCC ZINC001255316014 970088676 /nfs/dbraw/zinc/08/86/76/970088676.db2.gz RWFJBXFEPOPYBN-YRGRVCCFSA-N 1 2 239.359 2.663 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+]C1CCC(OC)CC1 ZINC001255454135 970184077 /nfs/dbraw/zinc/18/40/77/970184077.db2.gz POZVVJAQLMYANB-WXRRBKDZSA-N 1 2 224.348 2.616 20 30 BFEDLO COC1CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001255453624 970184205 /nfs/dbraw/zinc/18/42/05/970184205.db2.gz FXIINZOECDYOPM-JXQTWKCFSA-N 1 2 238.375 2.862 20 30 BFEDLO C#Cc1cc(Nc2cc3ccccc3[nH]2)cc[nH+]1 ZINC001211302997 970226205 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CCCC[N@H+](CC#N)[C@@H]1CCO[C@@H](CC)C1 ZINC001170235900 970611893 /nfs/dbraw/zinc/61/18/93/970611893.db2.gz PVDFELYAJCSDKN-OLZOCXBDSA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@@H]1CCO[C@@H](CC)C1 ZINC001170235900 970611899 /nfs/dbraw/zinc/61/18/99/970611899.db2.gz PVDFELYAJCSDKN-OLZOCXBDSA-N 1 2 224.348 2.570 20 30 BFEDLO C#C[C@H](CC)OCc1cc(C)[nH+]c(C)c1 ZINC001223422253 973052409 /nfs/dbraw/zinc/05/24/09/973052409.db2.gz VSOYSLKDSUIWBN-CYBMUJFWSA-N 1 2 203.285 2.627 20 30 BFEDLO Cc1cc(CO[C@H](C)[C@H](C)S)cc(C)[nH+]1 ZINC001223424122 973064150 /nfs/dbraw/zinc/06/41/50/973064150.db2.gz HLHADTDHDFNFNV-MNOVXSKESA-N 1 2 225.357 2.922 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1ncoc1C(C)C ZINC001328524331 973125147 /nfs/dbraw/zinc/12/51/47/973125147.db2.gz KTCOAURNXOGWIM-UHFFFAOYSA-N 1 2 208.305 2.806 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1ncoc1C(C)C ZINC001328524331 973125166 /nfs/dbraw/zinc/12/51/66/973125166.db2.gz KTCOAURNXOGWIM-UHFFFAOYSA-N 1 2 208.305 2.806 20 30 BFEDLO C[C@H]([NH2+]C/C=C\C1CC1)c1cccc(C#N)c1O ZINC001329308140 973661387 /nfs/dbraw/zinc/66/13/87/973661387.db2.gz YCKUMUCDDBXJAZ-BYCRGOAPSA-N 1 2 242.322 2.881 20 30 BFEDLO Cc1cccc2c1CC[C@H]([NH+]1CC(C)(C#N)C1)C2 ZINC001171565373 974105516 /nfs/dbraw/zinc/10/55/16/974105516.db2.gz OHIUCTVHCUULNK-AWEZNQCLSA-N 1 2 240.350 2.698 20 30 BFEDLO Cc1cccc2c1CC[C@@H]([NH+]1CC(C)(C#N)C1)C2 ZINC001171565374 974105829 /nfs/dbraw/zinc/10/58/29/974105829.db2.gz OHIUCTVHCUULNK-CQSZACIVSA-N 1 2 240.350 2.698 20 30 BFEDLO N#C[C@H](Oc1cc[nH+]cc1)c1ccccc1F ZINC001225296432 974375553 /nfs/dbraw/zinc/37/55/53/974375553.db2.gz VHKOOQNXIJDLMS-ZDUSSCGKSA-N 1 2 228.226 2.864 20 30 BFEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@H](C)CCCC#N ZINC001172490869 974836547 /nfs/dbraw/zinc/83/65/47/974836547.db2.gz BJECIIDUEJGLOV-OLZOCXBDSA-N 1 2 221.348 2.987 20 30 BFEDLO CC(C)C[C@H](C#N)[NH2+][C@@H](C)CCCC#N ZINC001172488118 974832522 /nfs/dbraw/zinc/83/25/22/974832522.db2.gz LMIZNYBMAWXMLA-NWDGAFQWSA-N 1 2 207.321 2.597 20 30 BFEDLO C=CCOC1CCC([NH2+][C@](C)(C#N)CC)CC1 ZINC001173314903 975304092 /nfs/dbraw/zinc/30/40/92/975304092.db2.gz WWXSAFKYZACOLW-RUXDESIVSA-N 1 2 236.359 2.782 20 30 BFEDLO C=C1O[C@H](CC)C(=O)C1Oc1c(C)cc[nH+]c1C ZINC001227264245 975337248 /nfs/dbraw/zinc/33/72/48/975337248.db2.gz KWVNYUSDBWSYBZ-LLVKDONJSA-N 1 2 247.294 2.687 20 30 BFEDLO C#C[C@@H](CCC)Oc1c(C)cc[nH+]c1C ZINC001227263327 975340941 /nfs/dbraw/zinc/34/09/41/975340941.db2.gz DPASIKCNGQDZMC-LBPRGKRZSA-N 1 2 203.285 2.879 20 30 BFEDLO CC1(C#N)CCC([NH+]2CC(F)(C3CC3)C2)CC1 ZINC001173592136 975439357 /nfs/dbraw/zinc/43/93/57/975439357.db2.gz HQIWHKMOXDNCST-UHFFFAOYSA-N 1 2 236.334 2.893 20 30 BFEDLO C#Cc1cc(NC=Cc2ccccc2)cc[nH+]1 ZINC001173871271 975823808 /nfs/dbraw/zinc/82/38/08/975823808.db2.gz YNSJKPVWDLXEKN-CSKARUKUSA-N 1 2 220.275 2.568 20 30 BFEDLO CC[C@@H]1CCCC[C@@H]1C=[NH+]n1nnc(C)c1C ZINC001333641878 975920467 /nfs/dbraw/zinc/92/04/67/975920467.db2.gz DNWDNNYXACQLPK-CHWSQXEVSA-N 1 2 234.347 2.945 20 30 BFEDLO C#Cc1cc(Nc2ccc(F)cc2C)cc[nH+]1 ZINC001173965631 976012106 /nfs/dbraw/zinc/01/21/06/976012106.db2.gz CBISWOSDJNSRFU-UHFFFAOYSA-N 1 2 226.254 2.676 20 30 BFEDLO C[C@H]1CC[N@H+](Cc2csc(C#N)c2)C[C@H]1F ZINC001333753858 976066518 /nfs/dbraw/zinc/06/65/18/976066518.db2.gz ZYDRBACEBFCNEZ-JOYOIKCWSA-N 1 2 238.331 2.800 20 30 BFEDLO C[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C[C@H]1F ZINC001333753858 976066536 /nfs/dbraw/zinc/06/65/36/976066536.db2.gz ZYDRBACEBFCNEZ-JOYOIKCWSA-N 1 2 238.331 2.800 20 30 BFEDLO C#Cc1cc(Nc2cccc(C)c2C)cc[nH+]1 ZINC001173951684 976109962 /nfs/dbraw/zinc/10/99/62/976109962.db2.gz SNOJVCLPFYCGPU-UHFFFAOYSA-N 1 2 222.291 2.845 20 30 BFEDLO C#Cc1cc(Nc2ccc(C)c(F)c2)cc[nH+]1 ZINC001174018117 976211633 /nfs/dbraw/zinc/21/16/33/976211633.db2.gz NERQZNRQWMPBHK-UHFFFAOYSA-N 1 2 226.254 2.676 20 30 BFEDLO C#Cc1cc(Nc2cc(F)ccc2C)cc[nH+]1 ZINC001174883804 977105706 /nfs/dbraw/zinc/10/57/06/977105706.db2.gz GCHWAYOUJNSAAT-UHFFFAOYSA-N 1 2 226.254 2.676 20 30 BFEDLO CN(C)c1ccc(Nc2sccc2C#N)c[nH+]1 ZINC001175338860 977387071 /nfs/dbraw/zinc/38/70/71/977387071.db2.gz OOUCZKSNQFWCIL-UHFFFAOYSA-N 1 2 244.323 2.824 20 30 BFEDLO C#Cc1ccc(Nc2c[nH+]ccc2OC)cc1F ZINC001176122864 977958655 /nfs/dbraw/zinc/95/86/55/977958655.db2.gz AYWPSEZRNQDWEN-UHFFFAOYSA-N 1 2 242.253 2.954 20 30 BFEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)[C@H](C)C1 ZINC001232679617 978243970 /nfs/dbraw/zinc/24/39/70/978243970.db2.gz ORWBGLHHMQGAAE-VXGBXAGGSA-N 1 2 244.338 2.884 20 30 BFEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)[C@H](C)C1 ZINC001232679617 978243975 /nfs/dbraw/zinc/24/39/75/978243975.db2.gz ORWBGLHHMQGAAE-VXGBXAGGSA-N 1 2 244.338 2.884 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc2ncoc2c1 ZINC001232942425 978350086 /nfs/dbraw/zinc/35/00/86/978350086.db2.gz XXHZVBURAGRQLK-UHFFFAOYSA-N 1 2 229.283 2.563 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc2ncoc2c1 ZINC001232942425 978350101 /nfs/dbraw/zinc/35/01/01/978350101.db2.gz XXHZVBURAGRQLK-UHFFFAOYSA-N 1 2 229.283 2.563 20 30 BFEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3ncoc3c2)C1 ZINC001232943665 978356868 /nfs/dbraw/zinc/35/68/68/978356868.db2.gz GZTQCJGWBXWPLD-CQSZACIVSA-N 1 2 241.294 2.563 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3ncoc3c2)C1 ZINC001232943665 978356877 /nfs/dbraw/zinc/35/68/77/978356877.db2.gz GZTQCJGWBXWPLD-CQSZACIVSA-N 1 2 241.294 2.563 20 30 BFEDLO Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)c(C#N)c1 ZINC001232963151 978364789 /nfs/dbraw/zinc/36/47/89/978364789.db2.gz YHNFQSHNAJSAMF-RISCZKNCSA-N 1 2 232.302 2.799 20 30 BFEDLO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c(C#N)c1 ZINC001232963151 978364797 /nfs/dbraw/zinc/36/47/97/978364797.db2.gz YHNFQSHNAJSAMF-RISCZKNCSA-N 1 2 232.302 2.799 20 30 BFEDLO C=CC[NH+](CC=C)Cc1c(O)ccc(F)c1F ZINC001233335414 978568736 /nfs/dbraw/zinc/56/87/36/978568736.db2.gz UGFZELVMPNNQKQ-UHFFFAOYSA-N 1 2 239.265 2.844 20 30 BFEDLO Cc1cc(C[N@H+](C)CCC#N)sc1C ZINC001233645352 978658393 /nfs/dbraw/zinc/65/83/93/978658393.db2.gz FXCUGLRAQXSUQA-UHFFFAOYSA-N 1 2 208.330 2.710 20 30 BFEDLO Cc1cc(C[N@@H+](C)CCC#N)sc1C ZINC001233645352 978658398 /nfs/dbraw/zinc/65/83/98/978658398.db2.gz FXCUGLRAQXSUQA-UHFFFAOYSA-N 1 2 208.330 2.710 20 30 BFEDLO C=C(C)CCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC001339107394 978795275 /nfs/dbraw/zinc/79/52/75/978795275.db2.gz KHMJDCREERAYEQ-UHFFFAOYSA-N 1 2 245.326 2.505 20 30 BFEDLO N#CC1CCC(C[N@H+]2CCC(F)(F)C2)CC1 ZINC001340761690 979095149 /nfs/dbraw/zinc/09/51/49/979095149.db2.gz OGPKTWPAQIIRLB-UHFFFAOYSA-N 1 2 228.286 2.657 20 30 BFEDLO N#CC1CCC(C[N@@H+]2CCC(F)(F)C2)CC1 ZINC001340761690 979095160 /nfs/dbraw/zinc/09/51/60/979095160.db2.gz OGPKTWPAQIIRLB-UHFFFAOYSA-N 1 2 228.286 2.657 20 30 BFEDLO Cc1c(C)n(-c2ccc(C)[nH+]c2C)c(N)c1C#N ZINC001203368279 979324055 /nfs/dbraw/zinc/32/40/55/979324055.db2.gz WNWWMLWQKHWWCB-UHFFFAOYSA-N 1 2 240.310 2.560 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1cccn1C ZINC001203264085 979461493 /nfs/dbraw/zinc/46/14/93/979461493.db2.gz OSKVIBUKSIQJJH-UHFFFAOYSA-N 1 2 219.332 2.541 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1cccn1C ZINC001203264085 979461499 /nfs/dbraw/zinc/46/14/99/979461499.db2.gz OSKVIBUKSIQJJH-UHFFFAOYSA-N 1 2 219.332 2.541 20 30 BFEDLO C[C@@H](C#N)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236318365 979531750 /nfs/dbraw/zinc/53/17/50/979531750.db2.gz WITCQUQLYKQVLV-JTQLQIEISA-N 1 2 223.279 2.958 20 30 BFEDLO Cc1nc(C)c(C[N@H+](CCC#N)C2CCCC2)o1 ZINC001236592037 979672427 /nfs/dbraw/zinc/67/24/27/979672427.db2.gz QBDYOQQPWFQUTG-UHFFFAOYSA-N 1 2 247.342 2.950 20 30 BFEDLO Cc1nc(C)c(C[N@@H+](CCC#N)C2CCCC2)o1 ZINC001236592037 979672434 /nfs/dbraw/zinc/67/24/34/979672434.db2.gz QBDYOQQPWFQUTG-UHFFFAOYSA-N 1 2 247.342 2.950 20 30 BFEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(F)cc1F ZINC001237536873 979930297 /nfs/dbraw/zinc/93/02/97/979930297.db2.gz NVOFBMRMNRRHAU-LKFCYVNXSA-N 1 2 248.276 2.821 20 30 BFEDLO N#Cc1cc(C[N@H+]2CCC[C@H]3C[C@H]32)c(F)cc1F ZINC001237536873 979930309 /nfs/dbraw/zinc/93/03/09/979930309.db2.gz NVOFBMRMNRRHAU-LKFCYVNXSA-N 1 2 248.276 2.821 20 30 BFEDLO COc1ccc(C)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001237709975 980034905 /nfs/dbraw/zinc/03/49/05/980034905.db2.gz LLFRFYDCMIUIPJ-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1ccc(C)c(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001237709975 980034912 /nfs/dbraw/zinc/03/49/12/980034912.db2.gz LLFRFYDCMIUIPJ-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO Cn1c[nH+]cc1CSc1cccc(F)c1C#N ZINC001189433654 980794278 /nfs/dbraw/zinc/79/42/78/980794278.db2.gz VTIJBWKJLKHDLU-UHFFFAOYSA-N 1 2 247.298 2.723 20 30 BFEDLO N#Cc1cc(-c2ccc[nH+]c2N)ccc1Cl ZINC001240401020 981356461 /nfs/dbraw/zinc/35/64/61/981356461.db2.gz YCPIDCJHWHOKSI-UHFFFAOYSA-N 1 2 229.670 2.856 20 30 BFEDLO Cn1c[nH+]cc1-c1ccc(Cl)c(C#N)c1 ZINC001240400906 981357203 /nfs/dbraw/zinc/35/72/03/981357203.db2.gz VASSXKSOUVPSBE-UHFFFAOYSA-N 1 2 217.659 2.612 20 30 BFEDLO N#CCOc1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001240510192 981433101 /nfs/dbraw/zinc/43/31/01/981433101.db2.gz FFGLATNMKLDQRQ-UHFFFAOYSA-N 1 2 249.273 2.904 20 30 BFEDLO C=C(C)c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001240838046 981881726 /nfs/dbraw/zinc/88/17/26/981881726.db2.gz OLDYTVHGGOGPOQ-OQLLNIDSSA-N 1 2 213.284 2.813 20 30 BFEDLO N#Cc1ccc(-c2cc[nH+]c(N)c2)c2cc[nH]c21 ZINC001241169896 982312148 /nfs/dbraw/zinc/31/21/48/982312148.db2.gz QMGIUZJFXXMNAN-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO N#Cc1ccc2cc(-c3cc[nH+]c(N)c3)ccc2n1 ZINC001241170631 982317195 /nfs/dbraw/zinc/31/71/95/982317195.db2.gz SSEAAOFWZCNZPM-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO Nc1cc(-c2cccc(CS)c2)cc[nH+]1 ZINC001241170397 982318810 /nfs/dbraw/zinc/31/88/10/982318810.db2.gz MBKXRPSNHSOQLA-UHFFFAOYSA-N 1 2 216.309 2.761 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccc2ccccc2n1 ZINC001195660172 982334627 /nfs/dbraw/zinc/33/46/27/982334627.db2.gz WMYJPKQCHYHBGB-LLVKDONJSA-N 1 2 225.295 2.627 20 30 BFEDLO Cc1cc(-c2ccnc(C#N)c2)c2[nH+]ccn2c1 ZINC001241189140 982335222 /nfs/dbraw/zinc/33/52/22/982335222.db2.gz KNXLWDGFGOBYBL-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO C#Cc1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001241918075 983137959 /nfs/dbraw/zinc/13/79/59/983137959.db2.gz RNYUTRFEZAIZMS-UHFFFAOYSA-N 1 2 219.247 2.558 20 30 BFEDLO N#Cc1cc(Cl)cc(Nc2ccc(N)[nH+]c2)c1 ZINC001201292954 983171546 /nfs/dbraw/zinc/17/15/46/983171546.db2.gz VCCRIEUZGVIYAA-UHFFFAOYSA-N 1 2 244.685 2.932 20 30 BFEDLO Cc1csc(Nc2ccc(N)[nH+]c2)c1C#N ZINC001201272922 983176898 /nfs/dbraw/zinc/17/68/98/983176898.db2.gz WNZIBPULLTYYDY-UHFFFAOYSA-N 1 2 230.296 2.649 20 30 BFEDLO CCCCCCC[N@@H+]1Cc2cnn(C)c2C1 ZINC001201787813 983486149 /nfs/dbraw/zinc/48/61/49/983486149.db2.gz OJVLKXONODFTOF-UHFFFAOYSA-N 1 2 221.348 2.706 20 30 BFEDLO CCCCCCC[N@H+]1Cc2cnn(C)c2C1 ZINC001201787813 983486151 /nfs/dbraw/zinc/48/61/51/983486151.db2.gz OJVLKXONODFTOF-UHFFFAOYSA-N 1 2 221.348 2.706 20 30 BFEDLO C#Cc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001242292443 983519470 /nfs/dbraw/zinc/51/94/70/983519470.db2.gz XVNVRPTWIBAQES-UHFFFAOYSA-N 1 2 219.247 2.558 20 30 BFEDLO CN(C)c1cc(C2=CC(=O)CC(C)(C)C2)cc[nH+]1 ZINC001242315404 983550300 /nfs/dbraw/zinc/55/03/00/983550300.db2.gz DHQORCPXCHDCNE-UHFFFAOYSA-N 1 2 244.338 2.920 20 30 BFEDLO Cc1cc(C#N)cc(-c2cc[nH+]c(N)c2)c1 ZINC001242479268 983808420 /nfs/dbraw/zinc/80/84/20/983808420.db2.gz WXYMYLRUGAUGJU-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO Cc1ccc(C#N)cc1-c1ccn2cc(N)[nH+]c2c1 ZINC001242542241 983859757 /nfs/dbraw/zinc/85/97/57/983859757.db2.gz ZYLGCENDZSFVOJ-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO C=C(C)CCC(=O)Nc1cccc2[nH+]ccn21 ZINC001360441446 983962242 /nfs/dbraw/zinc/96/22/42/983962242.db2.gz MMVBKVIYZWAJEC-UHFFFAOYSA-N 1 2 229.283 2.629 20 30 BFEDLO C[C@@H]1CC(=O)C=C(c2cccn3cc[nH+]c23)C1 ZINC001242738930 984087797 /nfs/dbraw/zinc/08/77/97/984087797.db2.gz BCDFPNKTXJSIMC-JTQLQIEISA-N 1 2 226.279 2.717 20 30 BFEDLO C=CCCCCCCCN1CC2(CC[N@H+]2C)C1 ZINC001276043130 984806141 /nfs/dbraw/zinc/80/61/41/984806141.db2.gz URQBNSWWTDCFQJ-UHFFFAOYSA-N 1 2 236.403 2.903 20 30 BFEDLO C=CCCCCCCCN1CC2(CC[N@@H+]2C)C1 ZINC001276043130 984806143 /nfs/dbraw/zinc/80/61/43/984806143.db2.gz URQBNSWWTDCFQJ-UHFFFAOYSA-N 1 2 236.403 2.903 20 30 BFEDLO N#CCc1ccc(F)c(-c2ccc[nH+]c2N)c1 ZINC001243472843 985018551 /nfs/dbraw/zinc/01/85/51/985018551.db2.gz BENCLDYFAGVCFQ-UHFFFAOYSA-N 1 2 227.242 2.536 20 30 BFEDLO N#CCCOc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243474332 985025251 /nfs/dbraw/zinc/02/52/51/985025251.db2.gz WICLQEGZYFNGFO-UHFFFAOYSA-N 1 2 239.278 2.623 20 30 BFEDLO Cc1cccc(-c2ccc[nH+]c2N)c1C#N ZINC001243474792 985029798 /nfs/dbraw/zinc/02/97/98/985029798.db2.gz RWTKNWUEYMZRJQ-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO Cc1c[nH+]c(NC2=CC[C@H](C#N)CC2)c(N)c1 ZINC001212856590 985236692 /nfs/dbraw/zinc/23/66/92/985236692.db2.gz PPLPCNCUSHTVHO-JTQLQIEISA-N 1 2 228.299 2.592 20 30 BFEDLO C=CC[N@@H+](Cc1csnc1OC)C(C)C ZINC001459364866 985477859 /nfs/dbraw/zinc/47/78/59/985477859.db2.gz WNUXVDSAUVIGLQ-UHFFFAOYSA-N 1 2 226.345 2.548 20 30 BFEDLO C=CC[N@H+](Cc1csnc1OC)C(C)C ZINC001459364866 985477876 /nfs/dbraw/zinc/47/78/76/985477876.db2.gz WNUXVDSAUVIGLQ-UHFFFAOYSA-N 1 2 226.345 2.548 20 30 BFEDLO CC(C)c1ccc(C#N)c(C2=C[NH2+]CCC2)n1 ZINC001243946945 985624957 /nfs/dbraw/zinc/62/49/57/985624957.db2.gz AGOYMMZRYPJZDO-UHFFFAOYSA-N 1 2 227.311 2.801 20 30 BFEDLO Cc1cn2c(cccc2-c2ccc(N)c(C#N)c2)[nH+]1 ZINC001244114920 985826752 /nfs/dbraw/zinc/82/67/52/985826752.db2.gz WRULBGUTTJOWQP-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO Cc1ncsc1CCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC001460752358 985890993 /nfs/dbraw/zinc/89/09/93/985890993.db2.gz ZHMSRSIBYPHSCP-LBPRGKRZSA-N 1 2 249.383 2.620 20 30 BFEDLO Cc1ncsc1CCC[N@H+]1CCC[C@@H](C#N)C1 ZINC001460752358 985891005 /nfs/dbraw/zinc/89/10/05/985891005.db2.gz ZHMSRSIBYPHSCP-LBPRGKRZSA-N 1 2 249.383 2.620 20 30 BFEDLO Cc1c(-c2ccncc2C#N)ccc2[nH+]ccn21 ZINC001244335773 985980873 /nfs/dbraw/zinc/98/08/73/985980873.db2.gz JQUZKBVQQUHKJW-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO CCNc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC001461968929 986251816 /nfs/dbraw/zinc/25/18/16/986251816.db2.gz SZMKYWCOXYHBQD-GFCCVEGCSA-N 1 2 231.343 2.710 20 30 BFEDLO CCNc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC001461968929 986251828 /nfs/dbraw/zinc/25/18/28/986251828.db2.gz SZMKYWCOXYHBQD-GFCCVEGCSA-N 1 2 231.343 2.710 20 30 BFEDLO C#C[C@@H](CC)[NH2+]Cc1c(Cl)ccnc1Cl ZINC001462222478 986320039 /nfs/dbraw/zinc/32/00/39/986320039.db2.gz OBHMOXHKWZXCLB-QMMMGPOBSA-N 1 2 243.137 2.890 20 30 BFEDLO Cc1ccoc1C[NH2+]Cc1cccc(F)c1C#N ZINC001462306691 986345804 /nfs/dbraw/zinc/34/58/04/986345804.db2.gz UTKPHNIQMLHFLB-UHFFFAOYSA-N 1 2 244.269 2.889 20 30 BFEDLO CCc1cc(/C(C)=C/C=C/[NH3+])ccc1C#N ZINC001244952879 986506211 /nfs/dbraw/zinc/50/62/11/986506211.db2.gz RMQNEKZXSQVTAK-JNKBEKGTSA-N 1 2 212.296 2.996 20 30 BFEDLO CCc1cc(-c2c[nH+]cn2C)ccc1C#N ZINC001244951880 986508344 /nfs/dbraw/zinc/50/83/44/986508344.db2.gz IOKPMODFWYAKEQ-UHFFFAOYSA-N 1 2 211.268 2.521 20 30 BFEDLO CNc1cc(-c2[nH]ccc3ncc(C#N)c2-3)cc[nH+]1 ZINC001244971800 986546818 /nfs/dbraw/zinc/54/68/18/986546818.db2.gz NDGUPXYAEOLHTD-UHFFFAOYSA-N 1 2 249.277 2.538 20 30 BFEDLO CNc1cc(-c2ccc(C#N)c(CC#N)c2)cc[nH+]1 ZINC001244974370 986552666 /nfs/dbraw/zinc/55/26/66/986552666.db2.gz XJDMAKWAIQMJAZ-UHFFFAOYSA-N 1 2 248.289 2.728 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCOc2cc(F)ccc21 ZINC001255158216 986832661 /nfs/dbraw/zinc/83/26/61/986832661.db2.gz FVPKKKLSYNZTOB-WCQYABFASA-N 1 2 248.301 2.931 20 30 BFEDLO CC(C)(C)c1ccc(C[NH+]2CC(CC#N)C2)[nH]1 ZINC001137370858 986834222 /nfs/dbraw/zinc/83/42/22/986834222.db2.gz RXJWXCRYQNMQLH-UHFFFAOYSA-N 1 2 231.343 2.658 20 30 BFEDLO Cc1cc(-c2ccc(CC#N)cc2F)c[nH+]c1N ZINC001245535816 986908033 /nfs/dbraw/zinc/90/80/33/986908033.db2.gz BHZPERQBIKKTQA-UHFFFAOYSA-N 1 2 241.269 2.844 20 30 BFEDLO Cc1cc(-c2cccc(F)c2C#N)c[nH+]c1N ZINC001245537441 986913161 /nfs/dbraw/zinc/91/31/61/986913161.db2.gz PWJPISGYDQTYRN-UHFFFAOYSA-N 1 2 227.242 2.650 20 30 BFEDLO Cc1cc(-c2ccc(C#N)c3[nH]ccc32)c[nH+]c1N ZINC001245538774 986920198 /nfs/dbraw/zinc/92/01/98/986920198.db2.gz GOFUJVZMGIJEJY-UHFFFAOYSA-N 1 2 248.289 2.992 20 30 BFEDLO C/C(=N\O)c1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC001245541253 986930744 /nfs/dbraw/zinc/93/07/44/986930744.db2.gz ORPSKKOFWIWGOX-LICLKQGHSA-N 1 2 241.294 2.837 20 30 BFEDLO Cc1ccc(C#N)c(-c2cc(N)cc[nH+]2)c1 ZINC001245600899 986982847 /nfs/dbraw/zinc/98/28/47/986982847.db2.gz MMIJFVZNXMMWRH-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO C[C@@H](Cc1ccccc1F)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001255851355 987073423 /nfs/dbraw/zinc/07/34/23/987073423.db2.gz MXOLFHKUEXPHMC-STQMWFEESA-N 1 2 246.329 2.992 20 30 BFEDLO C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@@H](C#N)C1 ZINC001255851355 987073434 /nfs/dbraw/zinc/07/34/34/987073434.db2.gz MXOLFHKUEXPHMC-STQMWFEESA-N 1 2 246.329 2.992 20 30 BFEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccccc1C(C)C ZINC001473539385 987471023 /nfs/dbraw/zinc/47/10/23/987471023.db2.gz GLBQSEXIOIQJCG-OAHLLOKOSA-N 1 2 243.350 2.644 20 30 BFEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccccc1C(C)C ZINC001473539385 987471030 /nfs/dbraw/zinc/47/10/30/987471030.db2.gz GLBQSEXIOIQJCG-OAHLLOKOSA-N 1 2 243.350 2.644 20 30 BFEDLO C=CCCCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC001473643297 987515495 /nfs/dbraw/zinc/51/54/95/987515495.db2.gz RTRPDJMHXLHWOI-CYBMUJFWSA-N 1 2 245.338 2.614 20 30 BFEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccco1 ZINC001117351490 987827516 /nfs/dbraw/zinc/82/75/16/987827516.db2.gz SFLIVGPTRBHCDA-FPLPWBNLSA-N 1 2 242.278 2.637 20 30 BFEDLO C=CCCCCCN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001322011847 988077799 /nfs/dbraw/zinc/07/77/99/988077799.db2.gz HGKJEQIPXZKJPE-CYBMUJFWSA-N 1 2 249.358 2.649 20 30 BFEDLO CCCCCCC[C@@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246838870 988541102 /nfs/dbraw/zinc/54/11/02/988541102.db2.gz WNOAPFKFTOHOAO-ZIAGYGMSSA-N 1 2 237.391 2.533 20 30 BFEDLO CCCCCCC[C@@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246838870 988541109 /nfs/dbraw/zinc/54/11/09/988541109.db2.gz WNOAPFKFTOHOAO-ZIAGYGMSSA-N 1 2 237.391 2.533 20 30 BFEDLO Cc1nnn([NH+]=C[C@H]2CC(C)=C[C@@H](C)C2)c1C ZINC001119299013 988901621 /nfs/dbraw/zinc/90/16/21/988901621.db2.gz NJORCPPKOYNCQS-NOZJJQNGSA-N 1 2 232.331 2.721 20 30 BFEDLO C#CC[N@@H+](CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001324732377 988951210 /nfs/dbraw/zinc/95/12/10/988951210.db2.gz NDAKRHBWTIKINV-LLVKDONJSA-N 1 2 248.395 2.723 20 30 BFEDLO C#CC[N@H+](CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001324732377 988951224 /nfs/dbraw/zinc/95/12/24/988951224.db2.gz NDAKRHBWTIKINV-LLVKDONJSA-N 1 2 248.395 2.723 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ccc2n1CCC2 ZINC001248823354 989186456 /nfs/dbraw/zinc/18/64/56/989186456.db2.gz TVNZGUPYUCWUDG-UHFFFAOYSA-N 1 2 245.370 2.950 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ccc2n1CCC2 ZINC001248823354 989186461 /nfs/dbraw/zinc/18/64/61/989186461.db2.gz TVNZGUPYUCWUDG-UHFFFAOYSA-N 1 2 245.370 2.950 20 30 BFEDLO N#Cc1cccc(C[NH+]2CC3(CCC3)C2)c1F ZINC001249681104 989340944 /nfs/dbraw/zinc/34/09/44/989340944.db2.gz PKJBSFJJMLXEQM-UHFFFAOYSA-N 1 2 230.286 2.683 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCc1ccc(F)cc1 ZINC001120058877 989579900 /nfs/dbraw/zinc/57/99/00/989579900.db2.gz YACGERNOKOCIAR-UHFFFAOYSA-N 1 2 232.302 2.770 20 30 BFEDLO C=CC[N@H+](CCC#N)CCc1ccc(F)cc1 ZINC001120058877 989579907 /nfs/dbraw/zinc/57/99/07/989579907.db2.gz YACGERNOKOCIAR-UHFFFAOYSA-N 1 2 232.302 2.770 20 30 BFEDLO C=C(C)CCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123049675 990497189 /nfs/dbraw/zinc/49/71/89/990497189.db2.gz GBWFCZCOHVSDRV-UHFFFAOYSA-N 1 2 236.315 2.518 20 30 BFEDLO CCOc1ccc(C[N@H+](C)CCC#N)c(C)c1 ZINC001138431294 990946800 /nfs/dbraw/zinc/94/68/00/990946800.db2.gz UVIDDGIPOTULHJ-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO CCOc1ccc(C[N@@H+](C)CCC#N)c(C)c1 ZINC001138431294 990946810 /nfs/dbraw/zinc/94/68/10/990946810.db2.gz UVIDDGIPOTULHJ-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO COc1ccc2c(C[N@H+](C)CCC#N)c[nH]c2c1 ZINC001138588856 990982047 /nfs/dbraw/zinc/98/20/47/990982047.db2.gz YSGIALJZHVIWRJ-UHFFFAOYSA-N 1 2 243.310 2.522 20 30 BFEDLO COc1ccc2c(C[N@@H+](C)CCC#N)c[nH]c2c1 ZINC001138588856 990982055 /nfs/dbraw/zinc/98/20/55/990982055.db2.gz YSGIALJZHVIWRJ-UHFFFAOYSA-N 1 2 243.310 2.522 20 30 BFEDLO C=CCN(c1cc(CC)[nH+]c(CC)n1)C1CC1 ZINC001559150872 991043328 /nfs/dbraw/zinc/04/33/28/991043328.db2.gz LTXHDBYTDUSZCA-UHFFFAOYSA-N 1 2 231.343 2.756 20 30 BFEDLO N#C[C@H]1CC[N@H+](Cc2ccc3cccnc3c2)C1 ZINC001139168625 991180279 /nfs/dbraw/zinc/18/02/79/991180279.db2.gz SRLZGRMCAZRSND-CYBMUJFWSA-N 1 2 237.306 2.580 20 30 BFEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3cccnc3c2)C1 ZINC001139168625 991180290 /nfs/dbraw/zinc/18/02/90/991180290.db2.gz SRLZGRMCAZRSND-CYBMUJFWSA-N 1 2 237.306 2.580 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCCc1scnc1C ZINC001559862747 991293497 /nfs/dbraw/zinc/29/34/97/991293497.db2.gz ZXCWFODKXKKKDH-UHFFFAOYSA-N 1 2 249.383 2.786 20 30 BFEDLO C=CC[N@H+](CCC#N)CCCc1scnc1C ZINC001559862747 991293509 /nfs/dbraw/zinc/29/35/09/991293509.db2.gz ZXCWFODKXKKKDH-UHFFFAOYSA-N 1 2 249.383 2.786 20 30 BFEDLO COc1ccc(CC[C@@H](C)[N@H+](C)[C@H](C)C#N)cc1 ZINC001258405778 991353583 /nfs/dbraw/zinc/35/35/83/991353583.db2.gz KXBVTOCFWODXGZ-CHWSQXEVSA-N 1 2 246.354 2.860 20 30 BFEDLO COc1ccc(CC[C@@H](C)[N@@H+](C)[C@H](C)C#N)cc1 ZINC001258405778 991353594 /nfs/dbraw/zinc/35/35/94/991353594.db2.gz KXBVTOCFWODXGZ-CHWSQXEVSA-N 1 2 246.354 2.860 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ccc(C)cn1 ZINC001139838542 991393826 /nfs/dbraw/zinc/39/38/26/991393826.db2.gz JHSRBXMJQGZJAK-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C)cn1 ZINC001139838542 991393833 /nfs/dbraw/zinc/39/38/33/991393833.db2.gz JHSRBXMJQGZJAK-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO C[C@@H]([NH2+]C/C=C\C1CC1)c1cccc(C#N)c1O ZINC001329308141 991412387 /nfs/dbraw/zinc/41/23/87/991412387.db2.gz YCKUMUCDDBXJAZ-DLRQAJBASA-N 1 2 242.322 2.881 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2cncc3ccccc32)C1 ZINC001139895249 991414574 /nfs/dbraw/zinc/41/45/74/991414574.db2.gz RMRNLPQPDGQUKQ-LBPRGKRZSA-N 1 2 237.306 2.580 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC001139895249 991414581 /nfs/dbraw/zinc/41/45/81/991414581.db2.gz RMRNLPQPDGQUKQ-LBPRGKRZSA-N 1 2 237.306 2.580 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC001560574840 991500022 /nfs/dbraw/zinc/50/00/22/991500022.db2.gz NBSGVCXDTALJCW-MRVPVSSYSA-N 1 2 249.701 2.873 20 30 BFEDLO Cc1cc(CNc2ccc(C#N)cn2)cc(C)[nH+]1 ZINC001307145400 995295732 /nfs/dbraw/zinc/29/57/32/995295732.db2.gz KASOJXLKMMZKDJ-UHFFFAOYSA-N 1 2 238.294 2.577 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccc(Cl)c(F)c1 ZINC001307496337 995383127 /nfs/dbraw/zinc/38/31/27/995383127.db2.gz JWGKKQXQEDMXDQ-UHFFFAOYSA-N 1 2 249.716 2.938 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccc(Cl)c(F)c1 ZINC001307496337 995383134 /nfs/dbraw/zinc/38/31/34/995383134.db2.gz JWGKKQXQEDMXDQ-UHFFFAOYSA-N 1 2 249.716 2.938 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000062839072 349493980 /nfs/dbraw/zinc/49/39/80/349493980.db2.gz DYYGTEWFKFYXGH-SECBINFHSA-N 1 2 237.372 2.690 20 30 BFEDLO C=C(C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000153415635 136212944 /nfs/dbraw/zinc/21/29/44/136212944.db2.gz DGMWAURNLQUVCU-UHFFFAOYSA-N 1 2 205.305 2.896 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1ccsc1Cl ZINC000308266668 346818510 /nfs/dbraw/zinc/81/85/10/346818510.db2.gz QCCZFSJXTSDKMV-SSDOTTSWSA-N 1 2 214.721 2.651 20 30 BFEDLO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC#N ZINC000186046497 136220307 /nfs/dbraw/zinc/22/03/07/136220307.db2.gz MBOOMXCEXYXWBY-AWEZNQCLSA-N 1 2 214.312 2.607 20 30 BFEDLO C[C@@]1(Cc2ccccc2)CCC[N@H+]1CC#N ZINC000186046497 136220308 /nfs/dbraw/zinc/22/03/08/136220308.db2.gz MBOOMXCEXYXWBY-AWEZNQCLSA-N 1 2 214.312 2.607 20 30 BFEDLO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(F)F ZINC000421381590 192324319 /nfs/dbraw/zinc/32/43/19/192324319.db2.gz LKDJCRVJSLPLJQ-NSHDSACASA-N 1 2 242.244 2.831 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(C)cc1F ZINC000602438390 349525329 /nfs/dbraw/zinc/52/53/29/349525329.db2.gz PWYAMMFGFXLLMR-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(C)cc1F ZINC000602438390 349525331 /nfs/dbraw/zinc/52/53/31/349525331.db2.gz PWYAMMFGFXLLMR-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO CCc1nc(C[N@H+](C)[C@H](C)CCC#N)cs1 ZINC000576484156 365609651 /nfs/dbraw/zinc/60/96/51/365609651.db2.gz AFAOSGDSQCBXRM-SNVBAGLBSA-N 1 2 237.372 2.830 20 30 BFEDLO CCc1nc(C[N@@H+](C)[C@H](C)CCC#N)cs1 ZINC000576484156 365609654 /nfs/dbraw/zinc/60/96/54/365609654.db2.gz AFAOSGDSQCBXRM-SNVBAGLBSA-N 1 2 237.372 2.830 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccc(F)cc2F)CCC1 ZINC000258933355 349536194 /nfs/dbraw/zinc/53/61/94/349536194.db2.gz OVGXDZJNIQMVJG-UHFFFAOYSA-N 1 2 236.265 2.748 20 30 BFEDLO CC#CCC[N@H+](C)Cc1c(F)cccc1F ZINC000293331092 136229703 /nfs/dbraw/zinc/22/97/03/136229703.db2.gz GLZFVSDFSDLNQE-UHFFFAOYSA-N 1 2 223.266 2.810 20 30 BFEDLO CC#CCC[N@@H+](C)Cc1c(F)cccc1F ZINC000293331092 136229704 /nfs/dbraw/zinc/22/97/04/136229704.db2.gz GLZFVSDFSDLNQE-UHFFFAOYSA-N 1 2 223.266 2.810 20 30 BFEDLO Cc1scc(C[N@@H+](C)C[C@H](C)C#N)c1C ZINC000602448068 349548762 /nfs/dbraw/zinc/54/87/62/349548762.db2.gz ROPSRMSTOTUERF-SECBINFHSA-N 1 2 222.357 2.956 20 30 BFEDLO Cc1scc(C[N@H+](C)C[C@H](C)C#N)c1C ZINC000602448068 349548763 /nfs/dbraw/zinc/54/87/63/349548763.db2.gz ROPSRMSTOTUERF-SECBINFHSA-N 1 2 222.357 2.956 20 30 BFEDLO Cc1ncc([C@@H](C)[N@@H+](CCC#N)C(C)C)c(C)n1 ZINC000602450553 349551968 /nfs/dbraw/zinc/55/19/68/349551968.db2.gz XFDDVBKYHAPMIA-GFCCVEGCSA-N 1 2 246.358 2.779 20 30 BFEDLO Cc1ncc([C@@H](C)[N@H+](CCC#N)C(C)C)c(C)n1 ZINC000602450553 349551971 /nfs/dbraw/zinc/55/19/71/349551971.db2.gz XFDDVBKYHAPMIA-GFCCVEGCSA-N 1 2 246.358 2.779 20 30 BFEDLO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615651859 398271832 /nfs/dbraw/zinc/27/18/32/398271832.db2.gz NOQRODWZOQBQDJ-ZFWWWQNUSA-N 1 2 246.329 2.803 20 30 BFEDLO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000615651859 398271835 /nfs/dbraw/zinc/27/18/35/398271835.db2.gz NOQRODWZOQBQDJ-ZFWWWQNUSA-N 1 2 246.329 2.803 20 30 BFEDLO Cc1ccc([C@H](C)C[NH+]2CC(C)(C#N)C2)cc1 ZINC000600174720 342695951 /nfs/dbraw/zinc/69/59/51/342695951.db2.gz XFRJUVBKHYNNGG-CYBMUJFWSA-N 1 2 228.339 2.944 20 30 BFEDLO COc1cc(CNc2cccc[nH+]2)ccc1C#N ZINC000357606501 398291591 /nfs/dbraw/zinc/29/15/91/398291591.db2.gz HUJGTZMJGWTIDV-UHFFFAOYSA-N 1 2 239.278 2.574 20 30 BFEDLO C[N@H+](Cc1ccoc1)Cc1ccccc1C#N ZINC000042371579 361987617 /nfs/dbraw/zinc/98/76/17/361987617.db2.gz AVYOXICAHVOKDU-UHFFFAOYSA-N 1 2 226.279 2.783 20 30 BFEDLO C[N@@H+](Cc1ccoc1)Cc1ccccc1C#N ZINC000042371579 361987619 /nfs/dbraw/zinc/98/76/19/361987619.db2.gz AVYOXICAHVOKDU-UHFFFAOYSA-N 1 2 226.279 2.783 20 30 BFEDLO C[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1F ZINC000035126428 398302749 /nfs/dbraw/zinc/30/27/49/398302749.db2.gz ITVZYCVAKXXLNB-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1F ZINC000035126428 398302751 /nfs/dbraw/zinc/30/27/51/398302751.db2.gz ITVZYCVAKXXLNB-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(Cl)c1F ZINC000165016614 342868609 /nfs/dbraw/zinc/86/86/09/342868609.db2.gz RVZAFAMZERVIQZ-QMMMGPOBSA-N 1 2 226.682 2.871 20 30 BFEDLO C=CCCC[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625176154 342901435 /nfs/dbraw/zinc/90/14/35/342901435.db2.gz FOECUSXGUOLMMY-UHFFFAOYSA-N 1 2 235.331 2.735 20 30 BFEDLO C=CCCC[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625176154 342901436 /nfs/dbraw/zinc/90/14/36/342901436.db2.gz FOECUSXGUOLMMY-UHFFFAOYSA-N 1 2 235.331 2.735 20 30 BFEDLO Cc1cc(N2CCS[C@@H](C)CC2)c(C#N)c[nH+]1 ZINC000335514664 398341528 /nfs/dbraw/zinc/34/15/28/398341528.db2.gz WMIUDHWLRXHXEB-NSHDSACASA-N 1 2 247.367 2.594 20 30 BFEDLO CC[N@@H+](Cc1c(C)cc(C)nc1C)C[C@@H](C)C#N ZINC000602770359 349725137 /nfs/dbraw/zinc/72/51/37/349725137.db2.gz QNDSYNQDIBMYOF-NSHDSACASA-N 1 2 245.370 2.988 20 30 BFEDLO CC[N@H+](Cc1c(C)cc(C)nc1C)C[C@@H](C)C#N ZINC000602770359 349725141 /nfs/dbraw/zinc/72/51/41/349725141.db2.gz QNDSYNQDIBMYOF-NSHDSACASA-N 1 2 245.370 2.988 20 30 BFEDLO C[C@H](F)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000351880519 136262694 /nfs/dbraw/zinc/26/26/94/136262694.db2.gz XLINAGUSKYFAIR-LBPRGKRZSA-N 1 2 235.306 2.545 20 30 BFEDLO C[C@H](F)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000351880519 136262695 /nfs/dbraw/zinc/26/26/95/136262695.db2.gz XLINAGUSKYFAIR-LBPRGKRZSA-N 1 2 235.306 2.545 20 30 BFEDLO C[C@H](C1CC1)[N@H+](CC#N)Cc1ccccc1 ZINC000042133237 343105278 /nfs/dbraw/zinc/10/52/78/343105278.db2.gz AIHYJNDPPNINOL-GFCCVEGCSA-N 1 2 214.312 2.811 20 30 BFEDLO C[C@H](C1CC1)[N@@H+](CC#N)Cc1ccccc1 ZINC000042133237 343105279 /nfs/dbraw/zinc/10/52/79/343105279.db2.gz AIHYJNDPPNINOL-GFCCVEGCSA-N 1 2 214.312 2.811 20 30 BFEDLO C[C@H](CC#N)[NH2+]CC#Cc1ccccc1Cl ZINC000602868708 349799869 /nfs/dbraw/zinc/79/98/69/349799869.db2.gz KWCOGSPJHYTJOW-LLVKDONJSA-N 1 2 232.714 2.583 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000602868536 349799945 /nfs/dbraw/zinc/79/99/45/349799945.db2.gz CIIMFBURDPUHAO-SECBINFHSA-N 1 2 233.702 2.603 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1ccccc1OC(F)F ZINC000050499274 343158731 /nfs/dbraw/zinc/15/87/31/343158731.db2.gz CTULWNJOWUIAQE-VIFPVBQESA-N 1 2 240.253 2.537 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cccc(F)c1Cl ZINC000602866949 349799159 /nfs/dbraw/zinc/79/91/59/349799159.db2.gz AJNFNDNDDRGSIJ-MRVPVSSYSA-N 1 2 226.682 2.871 20 30 BFEDLO CCC(CC)n1ccc(C[NH2+][C@@H](C)CC#N)n1 ZINC000602870663 349801623 /nfs/dbraw/zinc/80/16/23/349801623.db2.gz VDAOOGHYGJUUTL-NSHDSACASA-N 1 2 234.347 2.636 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1cccc(C)c1O ZINC000292899603 136289226 /nfs/dbraw/zinc/28/92/26/136289226.db2.gz ZUPXUTRVFURWFW-UHFFFAOYSA-N 1 2 230.311 2.602 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1cccc(C)c1O ZINC000292899603 136289227 /nfs/dbraw/zinc/28/92/27/136289227.db2.gz ZUPXUTRVFURWFW-UHFFFAOYSA-N 1 2 230.311 2.602 20 30 BFEDLO Cc1cc(C)c2c(c1)C[N@@H+](CCC#N)CC2 ZINC000275007894 136285655 /nfs/dbraw/zinc/28/56/55/136285655.db2.gz PLVKOGLMOUCBBJ-UHFFFAOYSA-N 1 2 214.312 2.575 20 30 BFEDLO Cc1cc(C)c2c(c1)C[N@H+](CCC#N)CC2 ZINC000275007894 136285656 /nfs/dbraw/zinc/28/56/56/136285656.db2.gz PLVKOGLMOUCBBJ-UHFFFAOYSA-N 1 2 214.312 2.575 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1F ZINC000134971691 343324931 /nfs/dbraw/zinc/32/49/31/343324931.db2.gz GVXLHCURZUZKTK-QMMMGPOBSA-N 1 2 226.682 2.871 20 30 BFEDLO CC1(C)C[C@@H](c2ccccc2)[N@H+](CC#N)C1 ZINC000335626781 136299633 /nfs/dbraw/zinc/29/96/33/136299633.db2.gz IXARUXKXHHIKKS-ZDUSSCGKSA-N 1 2 214.312 2.983 20 30 BFEDLO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CC#N)C1 ZINC000335626781 136299634 /nfs/dbraw/zinc/29/96/34/136299634.db2.gz IXARUXKXHHIKKS-ZDUSSCGKSA-N 1 2 214.312 2.983 20 30 BFEDLO C[C@@H](C#N)CN(C)c1cc[nH+]c2ccccc21 ZINC000042461254 343439330 /nfs/dbraw/zinc/43/93/30/343439330.db2.gz UVSPTRFAARMRES-NSHDSACASA-N 1 2 225.295 2.831 20 30 BFEDLO C[C@H](C#N)CN(C)c1cc[nH+]c2ccccc21 ZINC000042461252 343439585 /nfs/dbraw/zinc/43/95/85/343439585.db2.gz UVSPTRFAARMRES-LLVKDONJSA-N 1 2 225.295 2.831 20 30 BFEDLO COc1ccc(C)cc1C[N@H+](C)CC(C)(C)C#N ZINC000258992449 136373975 /nfs/dbraw/zinc/37/39/75/136373975.db2.gz XRQIQWPLLSLFHU-UHFFFAOYSA-N 1 2 246.354 2.985 20 30 BFEDLO COc1ccc(C)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000258992449 136373976 /nfs/dbraw/zinc/37/39/76/136373976.db2.gz XRQIQWPLLSLFHU-UHFFFAOYSA-N 1 2 246.354 2.985 20 30 BFEDLO C=CC[N@@H+](Cc1nc(C)no1)Cc1ccccc1 ZINC000045796842 343534482 /nfs/dbraw/zinc/53/44/82/343534482.db2.gz OLGBLRVONAYLNM-UHFFFAOYSA-N 1 2 243.310 2.566 20 30 BFEDLO C=CC[N@H+](Cc1nc(C)no1)Cc1ccccc1 ZINC000045796842 343534485 /nfs/dbraw/zinc/53/44/85/343534485.db2.gz OLGBLRVONAYLNM-UHFFFAOYSA-N 1 2 243.310 2.566 20 30 BFEDLO CCc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)nc1 ZINC000602982007 349833211 /nfs/dbraw/zinc/83/32/11/349833211.db2.gz MIGLOTAXJURKTO-HIFRSBDPSA-N 1 2 243.354 2.768 20 30 BFEDLO CCc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)nc1 ZINC000602982007 349833215 /nfs/dbraw/zinc/83/32/15/349833215.db2.gz MIGLOTAXJURKTO-HIFRSBDPSA-N 1 2 243.354 2.768 20 30 BFEDLO CCc1nc(C)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000602982224 349834148 /nfs/dbraw/zinc/83/41/48/349834148.db2.gz PEYDDZGJTUOIIT-NWDGAFQWSA-N 1 2 247.342 2.670 20 30 BFEDLO CCc1nc(C)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000602982224 349834152 /nfs/dbraw/zinc/83/41/52/349834152.db2.gz PEYDDZGJTUOIIT-NWDGAFQWSA-N 1 2 247.342 2.670 20 30 BFEDLO Cc1nsc(C)c1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981423 349830630 /nfs/dbraw/zinc/83/06/30/349830630.db2.gz CWAIDBKFWALUHM-DGCLKSJQSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nsc(C)c1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981423 349830631 /nfs/dbraw/zinc/83/06/31/349830631.db2.gz CWAIDBKFWALUHM-DGCLKSJQSA-N 1 2 249.383 2.884 20 30 BFEDLO C=CCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000178382874 346954271 /nfs/dbraw/zinc/95/42/71/346954271.db2.gz IGTIRRWXPLFVDL-UHFFFAOYSA-N 1 2 229.327 2.763 20 30 BFEDLO C=CCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000178382874 346954272 /nfs/dbraw/zinc/95/42/72/346954272.db2.gz IGTIRRWXPLFVDL-UHFFFAOYSA-N 1 2 229.327 2.763 20 30 BFEDLO Cc1cccnc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980506 349846047 /nfs/dbraw/zinc/84/60/47/349846047.db2.gz QSZONQDDGTXBSZ-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccnc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980506 349846049 /nfs/dbraw/zinc/84/60/49/349846049.db2.gz QSZONQDDGTXBSZ-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccc(C[N@H+](CC#N)C2CCCC2)c1O ZINC000180360954 347025299 /nfs/dbraw/zinc/02/52/99/347025299.db2.gz CSGSUQRRTIZKIO-UHFFFAOYSA-N 1 2 244.338 2.969 20 30 BFEDLO Cc1cccc(C[N@@H+](CC#N)C2CCCC2)c1O ZINC000180360954 347025302 /nfs/dbraw/zinc/02/53/02/347025302.db2.gz CSGSUQRRTIZKIO-UHFFFAOYSA-N 1 2 244.338 2.969 20 30 BFEDLO C=C1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000142458360 344290160 /nfs/dbraw/zinc/29/01/60/344290160.db2.gz AILPXKSFLTWSNT-UHFFFAOYSA-N 1 2 241.338 2.725 20 30 BFEDLO CC[N@@H+](Cc1ccsc1)C[C@H](C)C#N ZINC000042449587 344454682 /nfs/dbraw/zinc/45/46/82/344454682.db2.gz QMPVHHLIWCWDTQ-SNVBAGLBSA-N 1 2 208.330 2.730 20 30 BFEDLO CC[N@H+](Cc1ccsc1)C[C@H](C)C#N ZINC000042449587 344454683 /nfs/dbraw/zinc/45/46/83/344454683.db2.gz QMPVHHLIWCWDTQ-SNVBAGLBSA-N 1 2 208.330 2.730 20 30 BFEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnn1C ZINC000119939860 344686069 /nfs/dbraw/zinc/68/60/69/344686069.db2.gz TVVZSWWYIKSHOG-UHFFFAOYSA-N 1 2 247.367 2.670 20 30 BFEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnn1C ZINC000119939860 344686071 /nfs/dbraw/zinc/68/60/71/344686071.db2.gz TVVZSWWYIKSHOG-UHFFFAOYSA-N 1 2 247.367 2.670 20 30 BFEDLO C[N@@H+](Cc1cccc(F)c1)C[C@H](C#N)CCC#N ZINC000121019319 344908092 /nfs/dbraw/zinc/90/80/92/344908092.db2.gz HCGAYPHGTIULHU-ZDUSSCGKSA-N 1 2 245.301 2.701 20 30 BFEDLO C[N@H+](Cc1cccc(F)c1)C[C@H](C#N)CCC#N ZINC000121019319 344908095 /nfs/dbraw/zinc/90/80/95/344908095.db2.gz HCGAYPHGTIULHU-ZDUSSCGKSA-N 1 2 245.301 2.701 20 30 BFEDLO C[N@@H+](Cc1ccsc1)C[C@H](C#N)CCC#N ZINC000125017812 345063170 /nfs/dbraw/zinc/06/31/70/345063170.db2.gz OJNGFDGTLJABAC-NSHDSACASA-N 1 2 233.340 2.623 20 30 BFEDLO C[N@H+](Cc1ccsc1)C[C@H](C#N)CCC#N ZINC000125017812 345063172 /nfs/dbraw/zinc/06/31/72/345063172.db2.gz OJNGFDGTLJABAC-NSHDSACASA-N 1 2 233.340 2.623 20 30 BFEDLO Cc1cnc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000272500997 133543116 /nfs/dbraw/zinc/54/31/16/133543116.db2.gz DPKPMGIGUKXETB-UHFFFAOYSA-N 1 2 235.356 2.577 20 30 BFEDLO CC[C@](C)(C#N)C(=O)Nc1ccc(C)[nH+]c1C ZINC000136275695 345495115 /nfs/dbraw/zinc/49/51/15/345495115.db2.gz PWOSREOLZJCBGN-CYBMUJFWSA-N 1 2 231.299 2.577 20 30 BFEDLO CC(C)(CCC#N)CNc1cc[nH+]c(C2CC2)n1 ZINC000340929963 534998464 /nfs/dbraw/zinc/99/84/64/534998464.db2.gz JFQDGUXNDQZLEJ-UHFFFAOYSA-N 1 2 244.342 2.518 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc(C#N)cc1 ZINC000378775775 345560798 /nfs/dbraw/zinc/56/07/98/345560798.db2.gz FDCMCFKCFPLWEU-SECBINFHSA-N 1 2 224.254 2.864 20 30 BFEDLO CCc1ncc(C[N@H+](CC)C[C@@H](C)C#N)s1 ZINC000091982340 345613960 /nfs/dbraw/zinc/61/39/60/345613960.db2.gz ZKESTBQMQXSSKZ-JTQLQIEISA-N 1 2 237.372 2.687 20 30 BFEDLO CCc1ncc(C[N@@H+](CC)C[C@@H](C)C#N)s1 ZINC000091982340 345613962 /nfs/dbraw/zinc/61/39/62/345613962.db2.gz ZKESTBQMQXSSKZ-JTQLQIEISA-N 1 2 237.372 2.687 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271592744 345876146 /nfs/dbraw/zinc/87/61/46/345876146.db2.gz GCSHZWWOFPEEGC-NXEZZACHSA-N 1 2 233.271 2.548 20 30 BFEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)cs1 ZINC000294965266 346328916 /nfs/dbraw/zinc/32/89/16/346328916.db2.gz WLKAUBOXEDFVDY-VIFPVBQESA-N 1 2 208.330 2.648 20 30 BFEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)cs1 ZINC000294965266 346328923 /nfs/dbraw/zinc/32/89/23/346328923.db2.gz WLKAUBOXEDFVDY-VIFPVBQESA-N 1 2 208.330 2.648 20 30 BFEDLO C=CCSCCNc1cc[nH+]c(C(C)C)n1 ZINC000301271406 346579065 /nfs/dbraw/zinc/57/90/65/346579065.db2.gz VNLMFWVYAVULRJ-UHFFFAOYSA-N 1 2 237.372 2.931 20 30 BFEDLO Cc1nsc(C)c1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000580208839 346673596 /nfs/dbraw/zinc/67/35/96/346673596.db2.gz OUDGBTHCDWGHHR-SECBINFHSA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nsc(C)c1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000580208839 346673598 /nfs/dbraw/zinc/67/35/98/346673598.db2.gz OUDGBTHCDWGHHR-SECBINFHSA-N 1 2 249.383 2.884 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1cccc(N(C)C)c1 ZINC000590002954 346761894 /nfs/dbraw/zinc/76/18/94/346761894.db2.gz STOYKRBEAHRYJG-UHFFFAOYSA-N 1 2 243.354 2.654 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1cccc(N(C)C)c1 ZINC000590002954 346761896 /nfs/dbraw/zinc/76/18/96/346761896.db2.gz STOYKRBEAHRYJG-UHFFFAOYSA-N 1 2 243.354 2.654 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C#N)cc1C ZINC000590002916 346762088 /nfs/dbraw/zinc/76/20/88/346762088.db2.gz GKJAXBBQESYHKJ-UHFFFAOYSA-N 1 2 239.322 2.768 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc(C#N)cc1C ZINC000590002916 346762092 /nfs/dbraw/zinc/76/20/92/346762092.db2.gz GKJAXBBQESYHKJ-UHFFFAOYSA-N 1 2 239.322 2.768 20 30 BFEDLO N#C[C@]1(F)CC[N@H+](CCC2=CCCCC2)C1 ZINC000590723967 347494108 /nfs/dbraw/zinc/49/41/08/347494108.db2.gz OQLZKWBTNJLKTB-CYBMUJFWSA-N 1 2 222.307 2.814 20 30 BFEDLO N#C[C@]1(F)CC[N@@H+](CCC2=CCCCC2)C1 ZINC000590723967 347494111 /nfs/dbraw/zinc/49/41/11/347494111.db2.gz OQLZKWBTNJLKTB-CYBMUJFWSA-N 1 2 222.307 2.814 20 30 BFEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCc2sccc2C1 ZINC000192957105 365897878 /nfs/dbraw/zinc/89/78/78/365897878.db2.gz VTTCIBYHAWSWCS-NSHDSACASA-N 1 2 245.351 2.550 20 30 BFEDLO N#CCC[C@@H](C#N)C[N@H+]1CCc2sccc2C1 ZINC000192957105 365897881 /nfs/dbraw/zinc/89/78/81/365897881.db2.gz VTTCIBYHAWSWCS-NSHDSACASA-N 1 2 245.351 2.550 20 30 BFEDLO Cc1[nH]c2nc[nH+]c(SCCC#N)c2c1C ZINC000591948743 347717859 /nfs/dbraw/zinc/71/78/59/347717859.db2.gz BBZRWBKMRSRYAH-UHFFFAOYSA-N 1 2 232.312 2.581 20 30 BFEDLO Cc1noc(C)c1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000590711998 347686943 /nfs/dbraw/zinc/68/69/43/347686943.db2.gz SUVSRSVHPXIJIX-VIFPVBQESA-N 1 2 233.315 2.636 20 30 BFEDLO C[C@]1(c2cccc(F)c2)CC[N@H+](CCC#N)C1 ZINC000593045622 347843774 /nfs/dbraw/zinc/84/37/74/347843774.db2.gz KAHJTBGWRKBFTF-AWEZNQCLSA-N 1 2 232.302 2.703 20 30 BFEDLO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCC#N)C1 ZINC000593045622 347843775 /nfs/dbraw/zinc/84/37/75/347843775.db2.gz KAHJTBGWRKBFTF-AWEZNQCLSA-N 1 2 232.302 2.703 20 30 BFEDLO COCc1cc[nH+]c(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000593696214 347929645 /nfs/dbraw/zinc/92/96/45/347929645.db2.gz FSOAQAPKUKWGFZ-WCQYABFASA-N 1 2 245.326 2.722 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000593568560 347912616 /nfs/dbraw/zinc/91/26/16/347912616.db2.gz UOFHGUARGINFHI-UHFFFAOYSA-N 1 2 229.283 2.563 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000593568560 347912618 /nfs/dbraw/zinc/91/26/18/347912618.db2.gz UOFHGUARGINFHI-UHFFFAOYSA-N 1 2 229.283 2.563 20 30 BFEDLO Cc1cnc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000593654734 347922825 /nfs/dbraw/zinc/92/28/25/347922825.db2.gz LZZUJPFACQSZEI-UHFFFAOYSA-N 1 2 235.356 2.625 20 30 BFEDLO Cc1ccc(NC(=O)CCCCC#N)c(C)[nH+]1 ZINC000593988156 347979593 /nfs/dbraw/zinc/97/95/93/347979593.db2.gz GOMMATQIAQVGHU-UHFFFAOYSA-N 1 2 231.299 2.721 20 30 BFEDLO CC(C)([NH2+]Cc1cocn1)c1cccc(C#N)c1 ZINC000594969342 348161276 /nfs/dbraw/zinc/16/12/76/348161276.db2.gz PPHSXMUFMAEQSQ-UHFFFAOYSA-N 1 2 241.294 2.571 20 30 BFEDLO CSc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000595300675 348218597 /nfs/dbraw/zinc/21/85/97/348218597.db2.gz FFYKUUBWEWPTNV-NSHDSACASA-N 1 2 234.368 3.000 20 30 BFEDLO CSc1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000595300675 348218602 /nfs/dbraw/zinc/21/86/02/348218602.db2.gz FFYKUUBWEWPTNV-NSHDSACASA-N 1 2 234.368 3.000 20 30 BFEDLO CC[N@H+](CC1CC1)[C@@H](C#N)c1ccccc1 ZINC000595313648 348223625 /nfs/dbraw/zinc/22/36/25/348223625.db2.gz TWIYMJQTXUJOOJ-AWEZNQCLSA-N 1 2 214.312 2.983 20 30 BFEDLO CC[N@@H+](CC1CC1)[C@@H](C#N)c1ccccc1 ZINC000595313648 348223626 /nfs/dbraw/zinc/22/36/26/348223626.db2.gz TWIYMJQTXUJOOJ-AWEZNQCLSA-N 1 2 214.312 2.983 20 30 BFEDLO C=CCCSCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000595061008 348184796 /nfs/dbraw/zinc/18/47/96/348184796.db2.gz XAQAUSKHSLOGAO-SNVBAGLBSA-N 1 2 239.388 2.678 20 30 BFEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000595412678 348241802 /nfs/dbraw/zinc/24/18/02/348241802.db2.gz RCXRCTNTMTZTPG-GJZGRUSLSA-N 1 2 226.323 2.983 20 30 BFEDLO N#C[C@@H](c1ccccc1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000595412678 348241804 /nfs/dbraw/zinc/24/18/04/348241804.db2.gz RCXRCTNTMTZTPG-GJZGRUSLSA-N 1 2 226.323 2.983 20 30 BFEDLO CCC(CC)CN(CCC#N)Cc1cn(C)c[nH+]1 ZINC000595343789 348234211 /nfs/dbraw/zinc/23/42/11/348234211.db2.gz DWVWGPZYIOJKIP-UHFFFAOYSA-N 1 2 248.374 2.572 20 30 BFEDLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595615010 348288397 /nfs/dbraw/zinc/28/83/97/348288397.db2.gz NVLTUARSFJCTTC-ZDUSSCGKSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615010 348288399 /nfs/dbraw/zinc/28/83/99/348288399.db2.gz NVLTUARSFJCTTC-ZDUSSCGKSA-N 1 2 246.358 2.590 20 30 BFEDLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595621785 348290802 /nfs/dbraw/zinc/29/08/02/348290802.db2.gz YSVFMZSYHVNABH-RYUDHWBXSA-N 1 2 233.315 2.670 20 30 BFEDLO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595621785 348290805 /nfs/dbraw/zinc/29/08/05/348290805.db2.gz YSVFMZSYHVNABH-RYUDHWBXSA-N 1 2 233.315 2.670 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@H](OC)C1CCCC1 ZINC000595501512 348263645 /nfs/dbraw/zinc/26/36/45/348263645.db2.gz LISNHHBDGUWYAM-AWEZNQCLSA-N 1 2 236.359 2.593 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@H](OC)C1CCCC1 ZINC000595501512 348263649 /nfs/dbraw/zinc/26/36/49/348263649.db2.gz LISNHHBDGUWYAM-AWEZNQCLSA-N 1 2 236.359 2.593 20 30 BFEDLO CC[N@H+](CCCOc1ccccc1)[C@H](C)C#N ZINC000595813293 348352271 /nfs/dbraw/zinc/35/22/71/348352271.db2.gz RKWKHVOYKIQIHE-CYBMUJFWSA-N 1 2 232.327 2.689 20 30 BFEDLO CC[N@@H+](CCCOc1ccccc1)[C@H](C)C#N ZINC000595813293 348352274 /nfs/dbraw/zinc/35/22/74/348352274.db2.gz RKWKHVOYKIQIHE-CYBMUJFWSA-N 1 2 232.327 2.689 20 30 BFEDLO CC[C@H](CC(F)F)C[N@H+](CC)[C@H](C)C#N ZINC000595815485 348343311 /nfs/dbraw/zinc/34/33/11/348343311.db2.gz BTPHNGXCDZFNRV-NXEZZACHSA-N 1 2 218.291 2.902 20 30 BFEDLO CC[C@H](CC(F)F)C[N@@H+](CC)[C@H](C)C#N ZINC000595815485 348343313 /nfs/dbraw/zinc/34/33/13/348343313.db2.gz BTPHNGXCDZFNRV-NXEZZACHSA-N 1 2 218.291 2.902 20 30 BFEDLO C[C@]1(C#N)CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000595833621 348367709 /nfs/dbraw/zinc/36/77/09/348367709.db2.gz HWVNOOXFNYOYLW-GTBONMDNSA-N 1 2 226.323 2.935 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000595833621 348367712 /nfs/dbraw/zinc/36/77/12/348367712.db2.gz HWVNOOXFNYOYLW-GTBONMDNSA-N 1 2 226.323 2.935 20 30 BFEDLO Cc1ccc(F)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843837 348381156 /nfs/dbraw/zinc/38/11/56/348381156.db2.gz NVUKUDXOUTXVKR-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(F)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595843837 348381158 /nfs/dbraw/zinc/38/11/58/348381158.db2.gz NVUKUDXOUTXVKR-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO CCN(Cc1cc(OC(C)C)cc[nH+]1)[C@H](C)C#N ZINC000595818480 348358732 /nfs/dbraw/zinc/35/87/32/348358732.db2.gz OBKWXZRZKHKNLB-GFCCVEGCSA-N 1 2 247.342 2.603 20 30 BFEDLO CC[N@H+](CCCOCc1ccccc1)[C@H](C)C#N ZINC000595821370 348363046 /nfs/dbraw/zinc/36/30/46/348363046.db2.gz UUTQNZWOVUVWIN-CQSZACIVSA-N 1 2 246.354 2.827 20 30 BFEDLO CC[N@@H+](CCCOCc1ccccc1)[C@H](C)C#N ZINC000595821370 348363048 /nfs/dbraw/zinc/36/30/48/348363048.db2.gz UUTQNZWOVUVWIN-CQSZACIVSA-N 1 2 246.354 2.827 20 30 BFEDLO C=C1CC[NH+](CC(=O)Nc2cccc(C)c2)CC1 ZINC000264520240 187397450 /nfs/dbraw/zinc/39/74/50/187397450.db2.gz ZVLQNNWWLBEPLY-UHFFFAOYSA-N 1 2 244.338 2.586 20 30 BFEDLO C=C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)C(=O)OC ZINC000596047859 348429642 /nfs/dbraw/zinc/42/96/42/348429642.db2.gz SJZDASQZGVWUDX-DGCLKSJQSA-N 1 2 239.359 2.520 20 30 BFEDLO COc1cc(F)cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597230679 348698481 /nfs/dbraw/zinc/69/84/81/348698481.db2.gz HTGKBOUQUOXEOF-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO COc1cc(F)cc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597230679 348698482 /nfs/dbraw/zinc/69/84/82/348698482.db2.gz HTGKBOUQUOXEOF-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO CCOc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597230915 348698658 /nfs/dbraw/zinc/69/86/58/348698658.db2.gz UVVNZISIBKQPHY-HNNXBMFYSA-N 1 2 244.338 2.821 20 30 BFEDLO CCOc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597230915 348698660 /nfs/dbraw/zinc/69/86/60/348698660.db2.gz UVVNZISIBKQPHY-HNNXBMFYSA-N 1 2 244.338 2.821 20 30 BFEDLO C[C@]1(C#N)CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000597231969 348699688 /nfs/dbraw/zinc/69/96/88/348699688.db2.gz PUPYKRIOPZEFSZ-CYBMUJFWSA-N 1 2 247.367 2.756 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000597231969 348699692 /nfs/dbraw/zinc/69/96/92/348699692.db2.gz PUPYKRIOPZEFSZ-CYBMUJFWSA-N 1 2 247.367 2.756 20 30 BFEDLO C=C1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000264502829 192373484 /nfs/dbraw/zinc/37/34/84/192373484.db2.gz VWGCNJYQBOUYEQ-NSHDSACASA-N 1 2 235.331 2.906 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000054182102 348896823 /nfs/dbraw/zinc/89/68/23/348896823.db2.gz KYXLMINVANCIST-WDEREUQCSA-N 1 2 247.298 2.938 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000054182107 348896833 /nfs/dbraw/zinc/89/68/33/348896833.db2.gz KYXLMINVANCIST-GHMZBOCLSA-N 1 2 247.298 2.938 20 30 BFEDLO N#CCc1cccc2c1CCN(c1cccc[nH+]1)C2 ZINC000599195081 349115796 /nfs/dbraw/zinc/11/57/96/349115796.db2.gz PSDSAPQPJWWGNA-UHFFFAOYSA-N 1 2 249.317 2.710 20 30 BFEDLO N#CCC[C@H](C#N)C[NH+]1CC(c2ccccc2)C1 ZINC000601963570 349403041 /nfs/dbraw/zinc/40/30/41/349403041.db2.gz JZLKYDAGHVTVDK-CYBMUJFWSA-N 1 2 239.322 2.529 20 30 BFEDLO CC[N@@H+](Cc1cccc(C#N)c1F)C[C@H](C)C#N ZINC000219519509 350129695 /nfs/dbraw/zinc/12/96/95/350129695.db2.gz XABWTYQDCFEFJT-LLVKDONJSA-N 1 2 245.301 2.679 20 30 BFEDLO CC[N@H+](Cc1cccc(C#N)c1F)C[C@H](C)C#N ZINC000219519509 350129700 /nfs/dbraw/zinc/12/97/00/350129700.db2.gz XABWTYQDCFEFJT-LLVKDONJSA-N 1 2 245.301 2.679 20 30 BFEDLO Cc1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000227351706 350493090 /nfs/dbraw/zinc/49/30/90/350493090.db2.gz YLSVLZPMWUZYKC-UHFFFAOYSA-N 1 2 235.356 2.577 20 30 BFEDLO COc1ccc[nH+]c1N[C@H]1CCC[C@@H](C#N)C1 ZINC000618575062 350611450 /nfs/dbraw/zinc/61/14/50/350611450.db2.gz WFBVNSFVBZFHEG-MNOVXSKESA-N 1 2 231.299 2.584 20 30 BFEDLO C=C[C@H]([NH2+]CC[C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000304226589 350761553 /nfs/dbraw/zinc/76/15/53/350761553.db2.gz ZQVGXZJEOQOWLZ-AVGNSLFASA-N 1 2 239.359 2.520 20 30 BFEDLO C#CC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000052076326 350932475 /nfs/dbraw/zinc/93/24/75/350932475.db2.gz HMNXHIFMDMRLFC-UHFFFAOYSA-N 1 2 221.250 2.562 20 30 BFEDLO C#CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000052076326 350932478 /nfs/dbraw/zinc/93/24/78/350932478.db2.gz HMNXHIFMDMRLFC-UHFFFAOYSA-N 1 2 221.250 2.562 20 30 BFEDLO Cn1c[nH+]cc1CNc1cc(Cl)ccc1C#N ZINC000090165484 363018191 /nfs/dbraw/zinc/01/81/91/363018191.db2.gz YBWCXRWZWLGGLN-UHFFFAOYSA-N 1 2 246.701 2.557 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072581214 351288723 /nfs/dbraw/zinc/28/87/23/351288723.db2.gz JFXKDEVVAGXWAH-QWRGUYRKSA-N 1 2 247.298 2.747 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072581214 351288724 /nfs/dbraw/zinc/28/87/24/351288724.db2.gz JFXKDEVVAGXWAH-QWRGUYRKSA-N 1 2 247.298 2.747 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271592749 363019565 /nfs/dbraw/zinc/01/95/65/363019565.db2.gz GCSHZWWOFPEEGC-ZJUUUORDSA-N 1 2 233.271 2.548 20 30 BFEDLO CCOc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000271115844 351402123 /nfs/dbraw/zinc/40/21/23/351402123.db2.gz FERXHHPOSCTKGI-LBPRGKRZSA-N 1 2 232.327 2.677 20 30 BFEDLO CCOc1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000271115844 351402126 /nfs/dbraw/zinc/40/21/26/351402126.db2.gz FERXHHPOSCTKGI-LBPRGKRZSA-N 1 2 232.327 2.677 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000271143437 351403977 /nfs/dbraw/zinc/40/39/77/351403977.db2.gz WJMOIFWYAAMTLQ-GFCCVEGCSA-N 1 2 239.322 2.826 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000271143437 351403980 /nfs/dbraw/zinc/40/39/80/351403980.db2.gz WJMOIFWYAAMTLQ-GFCCVEGCSA-N 1 2 239.322 2.826 20 30 BFEDLO N#CC[N@@H+](Cc1cccc(F)c1O)C1CCCC1 ZINC000272254988 351465709 /nfs/dbraw/zinc/46/57/09/351465709.db2.gz IYNWNRIXPVNQLO-UHFFFAOYSA-N 1 2 248.301 2.799 20 30 BFEDLO N#CC[N@H+](Cc1cccc(F)c1O)C1CCCC1 ZINC000272254988 351465714 /nfs/dbraw/zinc/46/57/14/351465714.db2.gz IYNWNRIXPVNQLO-UHFFFAOYSA-N 1 2 248.301 2.799 20 30 BFEDLO CC[N@H+](CC#N)[C@@H](C)CCc1cccc(F)c1 ZINC000272950167 351503017 /nfs/dbraw/zinc/50/30/17/351503017.db2.gz KMPVBXZEIRFJRX-LBPRGKRZSA-N 1 2 234.318 2.992 20 30 BFEDLO CC[N@@H+](CC#N)[C@@H](C)CCc1cccc(F)c1 ZINC000272950167 351503019 /nfs/dbraw/zinc/50/30/19/351503019.db2.gz KMPVBXZEIRFJRX-LBPRGKRZSA-N 1 2 234.318 2.992 20 30 BFEDLO C[N@H+](CC#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000272325662 351468385 /nfs/dbraw/zinc/46/83/85/351468385.db2.gz LVHRKHHGAJBIRX-ZIAGYGMSSA-N 1 2 214.312 2.778 20 30 BFEDLO C[N@@H+](CC#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000272325662 351468388 /nfs/dbraw/zinc/46/83/88/351468388.db2.gz LVHRKHHGAJBIRX-ZIAGYGMSSA-N 1 2 214.312 2.778 20 30 BFEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1C ZINC000278236192 351752465 /nfs/dbraw/zinc/75/24/65/351752465.db2.gz NHJAHTCYLWPWQZ-NSHDSACASA-N 1 2 232.327 2.595 20 30 BFEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1C ZINC000278236192 351752466 /nfs/dbraw/zinc/75/24/66/351752466.db2.gz NHJAHTCYLWPWQZ-NSHDSACASA-N 1 2 232.327 2.595 20 30 BFEDLO C#Cc1ccc(C[N@H+](CC#N)C2CCCC2)cc1 ZINC000278893068 351789448 /nfs/dbraw/zinc/78/94/48/351789448.db2.gz IBEWVVJNIONHAY-UHFFFAOYSA-N 1 2 238.334 2.936 20 30 BFEDLO C#Cc1ccc(C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000278893068 351789451 /nfs/dbraw/zinc/78/94/51/351789451.db2.gz IBEWVVJNIONHAY-UHFFFAOYSA-N 1 2 238.334 2.936 20 30 BFEDLO C[N@@H+](CCC#N)CCSCc1ccccc1 ZINC000279121291 351797538 /nfs/dbraw/zinc/79/75/38/351797538.db2.gz UMLOOTRRCGSTLN-UHFFFAOYSA-N 1 2 234.368 2.765 20 30 BFEDLO C[N@H+](CCC#N)CCSCc1ccccc1 ZINC000279121291 351797539 /nfs/dbraw/zinc/79/75/39/351797539.db2.gz UMLOOTRRCGSTLN-UHFFFAOYSA-N 1 2 234.368 2.765 20 30 BFEDLO C=C(C)[C@@H]1OCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000281985521 351919399 /nfs/dbraw/zinc/91/93/99/351919399.db2.gz ZLVYNDQUIXPCKU-RTEWSFLISA-N 1 2 245.322 2.792 20 30 BFEDLO C=C(C)[C@H]1OCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000281985511 351919426 /nfs/dbraw/zinc/91/94/26/351919426.db2.gz ZLVYNDQUIXPCKU-PBKRQMHWSA-N 1 2 245.322 2.792 20 30 BFEDLO C=CC[NH+](CC=C)[C@H](C)c1ncc(C)o1 ZINC000411163730 191166154 /nfs/dbraw/zinc/16/61/54/191166154.db2.gz KOQPHEUSHJHOMT-LLVKDONJSA-N 1 2 206.289 2.718 20 30 BFEDLO CCC[N@H+](CC(F)F)[C@H](C)CCC#N ZINC000411228843 191170906 /nfs/dbraw/zinc/17/09/06/191170906.db2.gz SALRLMFCKFSLGJ-SECBINFHSA-N 1 2 204.264 2.656 20 30 BFEDLO CCC[N@@H+](CC(F)F)[C@H](C)CCC#N ZINC000411228843 191170908 /nfs/dbraw/zinc/17/09/08/191170908.db2.gz SALRLMFCKFSLGJ-SECBINFHSA-N 1 2 204.264 2.656 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCSC(C)(C)C ZINC000292294259 352313157 /nfs/dbraw/zinc/31/31/57/352313157.db2.gz UKNUPVBNUJJJMD-UHFFFAOYSA-N 1 2 226.389 2.920 20 30 BFEDLO C=CC[N@H+](CCC#N)CCSC(C)(C)C ZINC000292294259 352313162 /nfs/dbraw/zinc/31/31/62/352313162.db2.gz UKNUPVBNUJJJMD-UHFFFAOYSA-N 1 2 226.389 2.920 20 30 BFEDLO C=CCCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000336746871 352743537 /nfs/dbraw/zinc/74/35/37/352743537.db2.gz WYBHJNSRAJGGEZ-UHFFFAOYSA-N 1 2 216.288 2.596 20 30 BFEDLO N#CC1(CSc2[nH+]cc3ccccn32)CC1 ZINC000334352543 352989329 /nfs/dbraw/zinc/98/93/29/352989329.db2.gz XKBYEHOZNVBDOW-UHFFFAOYSA-N 1 2 229.308 2.730 20 30 BFEDLO Cc1ccc(CSCCC#N)c(C)[nH+]1 ZINC000413009196 259431464 /nfs/dbraw/zinc/43/14/64/259431464.db2.gz BRCBBYJFWAOABX-UHFFFAOYSA-N 1 2 206.314 2.845 20 30 BFEDLO C=CCCCCNC(=O)Nc1cc[nH+]cc1C ZINC000274822377 188092496 /nfs/dbraw/zinc/09/24/96/188092496.db2.gz OVIDEPJPYCACKK-UHFFFAOYSA-N 1 2 233.315 2.868 20 30 BFEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccco2)n1 ZINC000267250293 188088025 /nfs/dbraw/zinc/08/80/25/188088025.db2.gz GLCWMLGPQDXANC-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C#CC[N@H+](CC)Cc1csc(-c2ccco2)n1 ZINC000267250293 188088027 /nfs/dbraw/zinc/08/80/27/188088027.db2.gz GLCWMLGPQDXANC-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO N#CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423747 188106864 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/nfs/dbraw/zinc/93/90/33/353939033.db2.gz IHJWUFGQAALEPD-JTQLQIEISA-N 1 2 248.301 2.789 20 30 BFEDLO N#Cc1c(Cl)cccc1NCCn1cc[nH+]c1 ZINC000048936099 181073325 /nfs/dbraw/zinc/07/33/25/181073325.db2.gz CUUMWFVEXAVSRM-UHFFFAOYSA-N 1 2 246.701 2.520 20 30 BFEDLO CC(C)[C@@H]([NH2+]CCC#N)c1nc2ccccc2[nH]1 ZINC000578006629 366174019 /nfs/dbraw/zinc/17/40/19/366174019.db2.gz NLIGPKLNDUGKCH-CYBMUJFWSA-N 1 2 242.326 2.763 20 30 BFEDLO N#CC1(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)CCC1 ZINC000334799705 354554628 /nfs/dbraw/zinc/55/46/28/354554628.db2.gz FXIQLLHXCSUKDZ-ZDUSSCGKSA-N 1 2 244.342 2.631 20 30 BFEDLO N#CC1(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)CCC1 ZINC000334799705 354554630 /nfs/dbraw/zinc/55/46/30/354554630.db2.gz FXIQLLHXCSUKDZ-ZDUSSCGKSA-N 1 2 244.342 2.631 20 30 BFEDLO C[C@H]([NH2+]CCC#N)c1cccc(F)c1F ZINC000235516892 363447205 /nfs/dbraw/zinc/44/72/05/363447205.db2.gz KEHOJIRMKDTSIL-QMMMGPOBSA-N 1 2 210.227 2.529 20 30 BFEDLO CCC[N@H+](CC#N)[C@H]1CCc2ccccc21 ZINC000299339889 535274272 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359833883 /nfs/dbraw/zinc/83/38/83/359833883.db2.gz TUNSYOYVOZRJSE-AWEZNQCLSA-N 1 2 232.327 2.968 20 30 BFEDLO CCc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000612406784 359834179 /nfs/dbraw/zinc/83/41/79/359834179.db2.gz TUNSYOYVOZRJSE-CQSZACIVSA-N 1 2 232.327 2.968 20 30 BFEDLO CCc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000612406784 359834183 /nfs/dbraw/zinc/83/41/83/359834183.db2.gz TUNSYOYVOZRJSE-CQSZACIVSA-N 1 2 232.327 2.968 20 30 BFEDLO F[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000451203680 202378313 /nfs/dbraw/zinc/37/83/13/202378313.db2.gz ZXLKELSYJQWIAO-CYBMUJFWSA-N 1 2 237.705 2.735 20 30 BFEDLO F[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000451203680 202378316 /nfs/dbraw/zinc/37/83/16/202378316.db2.gz ZXLKELSYJQWIAO-CYBMUJFWSA-N 1 2 237.705 2.735 20 30 BFEDLO CCc1ccc(C[N@H+](CC)C[C@H](C)C#N)o1 ZINC000091983144 360141371 /nfs/dbraw/zinc/14/13/71/360141371.db2.gz KPDRWGFXFAXRTK-LLVKDONJSA-N 1 2 220.316 2.824 20 30 BFEDLO CCc1ccc(C[N@@H+](CC)C[C@H](C)C#N)o1 ZINC000091983144 360141375 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ZINC000619489554 369397873 /nfs/dbraw/zinc/39/78/73/369397873.db2.gz OMKDROXGOCLDPV-UHFFFAOYSA-N 1 2 241.294 2.902 20 30 BFEDLO CC(C)C[C@H](C)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000619621571 369497696 /nfs/dbraw/zinc/49/76/96/369497696.db2.gz HKZOTDRCKDLSNG-NWDGAFQWSA-N 1 2 212.312 2.606 20 30 BFEDLO CC(C)C[C@H](C)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000619621571 369497699 /nfs/dbraw/zinc/49/76/99/369497699.db2.gz HKZOTDRCKDLSNG-NWDGAFQWSA-N 1 2 212.312 2.606 20 30 BFEDLO N#Cc1ccc(CNc2cccc[nH+]2)s1 ZINC000157429552 326274214 /nfs/dbraw/zinc/27/42/14/326274214.db2.gz IJRKTSNYXAYQTJ-UHFFFAOYSA-N 1 2 215.281 2.627 20 30 BFEDLO Clc1cccc(C#CCn2cc[nH+]c2)c1 ZINC000157388671 326271920 /nfs/dbraw/zinc/27/19/20/326271920.db2.gz VGXZHJRRMVDEMD-UHFFFAOYSA-N 1 2 216.671 2.588 20 30 BFEDLO C=C[C@H](C(=O)OC)[N@H+](CC)Cc1ccccc1C ZINC000619716086 369546001 /nfs/dbraw/zinc/54/60/01/369546001.db2.gz OTLFJZPYQWABKZ-CQSZACIVSA-N 1 2 247.338 2.545 20 30 BFEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)Cc1ccccc1C ZINC000619716086 369546004 /nfs/dbraw/zinc/54/60/04/369546004.db2.gz OTLFJZPYQWABKZ-CQSZACIVSA-N 1 2 247.338 2.545 20 30 BFEDLO CCC[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)OC ZINC000602707100 369844954 /nfs/dbraw/zinc/84/49/54/369844954.db2.gz SOLZUZLNMVCMHM-AWEZNQCLSA-N 1 2 244.338 2.689 20 30 BFEDLO CCC[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)OC ZINC000602707100 369844956 /nfs/dbraw/zinc/84/49/56/369844956.db2.gz SOLZUZLNMVCMHM-AWEZNQCLSA-N 1 2 244.338 2.689 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]CC#Cc1ccccc1Cl ZINC000568181637 326321727 /nfs/dbraw/zinc/32/17/27/326321727.db2.gz YYMQNYSDCRHUBS-ZDUSSCGKSA-N 1 2 246.741 2.973 20 30 BFEDLO C=C1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621257243 370189452 /nfs/dbraw/zinc/18/94/52/370189452.db2.gz NLEJGEDPXDJKHU-UHFFFAOYSA-N 1 2 222.719 2.887 20 30 BFEDLO CC[N@@H+](Cc1ccoc1)C[C@H](C#N)CCC#N ZINC000112560248 370324159 /nfs/dbraw/zinc/32/41/59/370324159.db2.gz SDQPUVIZSFHDEV-LBPRGKRZSA-N 1 2 231.299 2.545 20 30 BFEDLO CC[N@H+](Cc1ccoc1)C[C@H](C#N)CCC#N ZINC000112560248 370324164 /nfs/dbraw/zinc/32/41/64/370324164.db2.gz SDQPUVIZSFHDEV-LBPRGKRZSA-N 1 2 231.299 2.545 20 30 BFEDLO CC[N@@H+](Cc1ccoc1)C[C@@H](C#N)CCC#N ZINC000112560250 370324640 /nfs/dbraw/zinc/32/46/40/370324640.db2.gz SDQPUVIZSFHDEV-GFCCVEGCSA-N 1 2 231.299 2.545 20 30 BFEDLO CC[N@H+](Cc1ccoc1)C[C@@H](C#N)CCC#N ZINC000112560250 370324643 /nfs/dbraw/zinc/32/46/43/370324643.db2.gz SDQPUVIZSFHDEV-GFCCVEGCSA-N 1 2 231.299 2.545 20 30 BFEDLO C[N@@H+](Cc1ccsc1)C[C@@H](C#N)CCC#N ZINC000125018042 371276439 /nfs/dbraw/zinc/27/64/39/371276439.db2.gz OJNGFDGTLJABAC-LLVKDONJSA-N 1 2 233.340 2.623 20 30 BFEDLO C[N@H+](Cc1ccsc1)C[C@@H](C#N)CCC#N ZINC000125018042 371276443 /nfs/dbraw/zinc/27/64/43/371276443.db2.gz OJNGFDGTLJABAC-LLVKDONJSA-N 1 2 233.340 2.623 20 30 BFEDLO CC[C@@H](Nc1cc(C#N)cc(C)n1)c1[nH]cc[nH+]1 ZINC000161694625 371553138 /nfs/dbraw/zinc/55/31/38/371553138.db2.gz CSCQDIBALXMRAM-LLVKDONJSA-N 1 2 241.298 2.548 20 30 BFEDLO CCc1cc(NCc2cccc(C#N)c2)nc[nH+]1 ZINC000040765162 373698196 /nfs/dbraw/zinc/69/81/96/373698196.db2.gz XGBOBQTWKBYGOF-UHFFFAOYSA-N 1 2 238.294 2.523 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000181293377 134335426 /nfs/dbraw/zinc/33/54/26/134335426.db2.gz ZMXZRRVJORQKGT-UHFFFAOYSA-N 1 2 226.301 2.664 20 30 BFEDLO Cn1cc[nH+]c1CSc1ccc(C#N)cc1F ZINC000335047758 384012878 /nfs/dbraw/zinc/01/28/78/384012878.db2.gz ULPXLVYTVKYJFM-UHFFFAOYSA-N 1 2 247.298 2.723 20 30 BFEDLO CC(C)N(CCC#N)Cc1c[nH+]cn1C(C)C ZINC000569451664 384059921 /nfs/dbraw/zinc/05/99/21/384059921.db2.gz YFHLJXILACMTEV-UHFFFAOYSA-N 1 2 234.347 2.588 20 30 BFEDLO C#CCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000299226124 384131756 /nfs/dbraw/zinc/13/17/56/384131756.db2.gz NLMIYCGZTXNYLH-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C#CCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000299226124 384131763 /nfs/dbraw/zinc/13/17/63/384131763.db2.gz NLMIYCGZTXNYLH-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1F ZINC000093091110 384211272 /nfs/dbraw/zinc/21/12/72/384211272.db2.gz BBRXDEJCKSZSJB-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1F ZINC000093091110 384211278 /nfs/dbraw/zinc/21/12/78/384211278.db2.gz BBRXDEJCKSZSJB-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc(NC(=O)C2(C#N)CCCC2)c(C)[nH+]1 ZINC000094666151 384309099 /nfs/dbraw/zinc/30/90/99/384309099.db2.gz LKPLSCIUNZAMAD-UHFFFAOYSA-N 1 2 243.310 2.721 20 30 BFEDLO C=C(Cl)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000299710336 384343762 /nfs/dbraw/zinc/34/37/62/384343762.db2.gz QFOAVWXHSCMGIR-SNVBAGLBSA-N 1 2 210.708 2.827 20 30 BFEDLO C=C(Cl)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000299710336 384343768 /nfs/dbraw/zinc/34/37/68/384343768.db2.gz QFOAVWXHSCMGIR-SNVBAGLBSA-N 1 2 210.708 2.827 20 30 BFEDLO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC#N ZINC000075885911 384345319 /nfs/dbraw/zinc/34/53/19/384345319.db2.gz ILEJJZZZEJANKT-CQSZACIVSA-N 1 2 216.328 2.772 20 30 BFEDLO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC#N ZINC000075885911 384345324 /nfs/dbraw/zinc/34/53/24/384345324.db2.gz ILEJJZZZEJANKT-CQSZACIVSA-N 1 2 216.328 2.772 20 30 BFEDLO C#CC[NH+](CC#C)Cc1ccc(SC)s1 ZINC000491761788 384583407 /nfs/dbraw/zinc/58/34/07/384583407.db2.gz XDMOHCUEHYIFLZ-UHFFFAOYSA-N 1 2 235.377 2.538 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000491778848 384673530 /nfs/dbraw/zinc/67/35/30/384673530.db2.gz YTDGIJLUELTXDA-GFCCVEGCSA-N 1 2 239.322 2.530 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000491778848 384673538 /nfs/dbraw/zinc/67/35/38/384673538.db2.gz YTDGIJLUELTXDA-GFCCVEGCSA-N 1 2 239.322 2.530 20 30 BFEDLO Cc1cc[nH+]cc1Cn1nc(C#N)c2ccccc21 ZINC000432480929 384734844 /nfs/dbraw/zinc/73/48/44/384734844.db2.gz UXAXLCRCXSPHFJ-UHFFFAOYSA-N 1 2 248.289 2.660 20 30 BFEDLO C[N@H+](CCC#N)CCc1c(F)cccc1Cl ZINC000083217186 384751984 /nfs/dbraw/zinc/75/19/84/384751984.db2.gz IAVCPSHXFOZWCH-UHFFFAOYSA-N 1 2 240.709 2.867 20 30 BFEDLO C[N@@H+](CCC#N)CCc1c(F)cccc1Cl ZINC000083217186 384751992 /nfs/dbraw/zinc/75/19/92/384751992.db2.gz IAVCPSHXFOZWCH-UHFFFAOYSA-N 1 2 240.709 2.867 20 30 BFEDLO CC#CCC[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000155737487 384756268 /nfs/dbraw/zinc/75/62/68/384756268.db2.gz QEBHAOOFDHNEKP-CQSZACIVSA-N 1 2 247.338 2.629 20 30 BFEDLO CC#CCC[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000155737487 384756277 /nfs/dbraw/zinc/75/62/77/384756277.db2.gz QEBHAOOFDHNEKP-CQSZACIVSA-N 1 2 247.338 2.629 20 30 BFEDLO Cc1noc(C)c1CC/[NH+]=C/c1ccccc1O ZINC000107066515 384949190 /nfs/dbraw/zinc/94/91/90/384949190.db2.gz LYFWUMZQSWFQBG-OQLLNIDSSA-N 1 2 244.294 2.659 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000491473806 384953780 /nfs/dbraw/zinc/95/37/80/384953780.db2.gz HTIVXAPENJWAKW-SNVBAGLBSA-N 1 2 232.714 2.665 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000491473806 384953786 /nfs/dbraw/zinc/95/37/86/384953786.db2.gz HTIVXAPENJWAKW-SNVBAGLBSA-N 1 2 232.714 2.665 20 30 BFEDLO C[C@@H]1c2ccccc2CC[N@H+]1CCC#N ZINC000106862354 384936951 /nfs/dbraw/zinc/93/69/51/384936951.db2.gz IYSLIJQBKLFGGI-LLVKDONJSA-N 1 2 200.285 2.519 20 30 BFEDLO C[C@@H]1c2ccccc2CC[N@@H+]1CCC#N ZINC000106862354 384936960 /nfs/dbraw/zinc/93/69/60/384936960.db2.gz IYSLIJQBKLFGGI-LLVKDONJSA-N 1 2 200.285 2.519 20 30 BFEDLO C[C@H]1c2ccccc2CC[N@H+]1CCC#N ZINC000106862356 384938239 /nfs/dbraw/zinc/93/82/39/384938239.db2.gz IYSLIJQBKLFGGI-NSHDSACASA-N 1 2 200.285 2.519 20 30 BFEDLO C[C@H]1c2ccccc2CC[N@@H+]1CCC#N ZINC000106862356 384938247 /nfs/dbraw/zinc/93/82/47/384938247.db2.gz IYSLIJQBKLFGGI-NSHDSACASA-N 1 2 200.285 2.519 20 30 BFEDLO Cc1ccc(F)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000129168139 385117338 /nfs/dbraw/zinc/11/73/38/385117338.db2.gz OZSGYDYSUVTHPQ-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc(F)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000129168139 385117343 /nfs/dbraw/zinc/11/73/43/385117343.db2.gz OZSGYDYSUVTHPQ-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1sccc1Cl ZINC000194481796 385522861 /nfs/dbraw/zinc/52/28/61/385522861.db2.gz SWJFTQKATGCBIP-ZETCQYMHSA-N 1 2 214.721 2.651 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1cncc(Cl)c1)C1CC1 ZINC000598596124 385622447 /nfs/dbraw/zinc/62/24/47/385622447.db2.gz HWXHIYVXGIHGTC-JTQLQIEISA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1cncc(Cl)c1)C1CC1 ZINC000598596124 385622451 /nfs/dbraw/zinc/62/24/51/385622451.db2.gz HWXHIYVXGIHGTC-JTQLQIEISA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1cncc(Cl)c1)C1CC1 ZINC000598596125 385622507 /nfs/dbraw/zinc/62/25/07/385622507.db2.gz HWXHIYVXGIHGTC-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1cncc(Cl)c1)C1CC1 ZINC000598596125 385622512 /nfs/dbraw/zinc/62/25/12/385622512.db2.gz HWXHIYVXGIHGTC-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCCC#N ZINC000283650745 385827382 /nfs/dbraw/zinc/82/73/82/385827382.db2.gz BFLDGMCDYXWFOU-JTQLQIEISA-N 1 2 237.734 2.822 20 30 BFEDLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCCC#N ZINC000283650745 385827388 /nfs/dbraw/zinc/82/73/88/385827388.db2.gz BFLDGMCDYXWFOU-JTQLQIEISA-N 1 2 237.734 2.822 20 30 BFEDLO C[C@H]([NH2+]Cc1cscn1)c1cccc(C#N)c1 ZINC000111625222 385967855 /nfs/dbraw/zinc/96/78/55/385967855.db2.gz WDSJHSHZJMAWDP-JTQLQIEISA-N 1 2 243.335 2.866 20 30 BFEDLO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000093090828 386125785 /nfs/dbraw/zinc/12/57/85/386125785.db2.gz WIYFTNPXRLABFO-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000093090828 386125787 /nfs/dbraw/zinc/12/57/87/386125787.db2.gz WIYFTNPXRLABFO-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO C=CCCCC[N@@H+](CCOC)CC(F)F ZINC000519685814 386531820 /nfs/dbraw/zinc/53/18/20/386531820.db2.gz SMODTAIASYBABP-UHFFFAOYSA-N 1 2 221.291 2.556 20 30 BFEDLO C=CCCCC[N@H+](CCOC)CC(F)F ZINC000519685814 386531826 /nfs/dbraw/zinc/53/18/26/386531826.db2.gz SMODTAIASYBABP-UHFFFAOYSA-N 1 2 221.291 2.556 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nn(C)cc1Cl ZINC000335505566 386636282 /nfs/dbraw/zinc/63/62/82/386636282.db2.gz ZNNRDRPKQDQQIW-JTQLQIEISA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nn(C)cc1Cl ZINC000335505566 386636289 /nfs/dbraw/zinc/63/62/89/386636289.db2.gz ZNNRDRPKQDQQIW-JTQLQIEISA-N 1 2 239.750 2.614 20 30 BFEDLO CCCC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000328951106 386650003 /nfs/dbraw/zinc/65/00/03/386650003.db2.gz NNPOGKBWDHKQIR-SNVBAGLBSA-N 1 2 247.342 2.804 20 30 BFEDLO CCCC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000328951106 386650006 /nfs/dbraw/zinc/65/00/06/386650006.db2.gz NNPOGKBWDHKQIR-SNVBAGLBSA-N 1 2 247.342 2.804 20 30 BFEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000335495466 386616903 /nfs/dbraw/zinc/61/69/03/386616903.db2.gz JLPMKDRIQSTWQA-WDEREUQCSA-N 1 2 247.342 2.607 20 30 BFEDLO CCn1c[nH+]cc1CN(CCC#N)CC(C)(C)C ZINC000417766473 386692593 /nfs/dbraw/zinc/69/25/93/386692593.db2.gz PLTMJLWYXQJUDI-UHFFFAOYSA-N 1 2 248.374 2.665 20 30 BFEDLO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000330803554 386891646 /nfs/dbraw/zinc/89/16/46/386891646.db2.gz BIMVNXVAPKYMSQ-YNEHKIRRSA-N 1 2 243.310 2.545 20 30 BFEDLO N#C[C@@H]1[N@H+](CC2CCC2)CCC[C@@]12CCCCO2 ZINC000335748467 386873437 /nfs/dbraw/zinc/87/34/37/386873437.db2.gz SXKPNLBCKUOJBS-GJZGRUSLSA-N 1 2 248.370 2.714 20 30 BFEDLO N#C[C@@H]1[N@@H+](CC2CCC2)CCC[C@@]12CCCCO2 ZINC000335748467 386873440 /nfs/dbraw/zinc/87/34/40/386873440.db2.gz SXKPNLBCKUOJBS-GJZGRUSLSA-N 1 2 248.370 2.714 20 30 BFEDLO N#Cc1ccccc1COc1cc[nH+]cc1 ZINC000335773913 386922897 /nfs/dbraw/zinc/92/28/97/386922897.db2.gz OJDJXHKRGZKKEO-UHFFFAOYSA-N 1 2 210.236 2.532 20 30 BFEDLO Cc1cc(NC[C@@H]2CCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000399514108 386930989 /nfs/dbraw/zinc/93/09/89/386930989.db2.gz OPQCBIUTDFCKKZ-JQWIXIFHSA-N 1 2 229.327 2.532 20 30 BFEDLO Cc1cc(N[C@@H]2CCC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399519968 386954558 /nfs/dbraw/zinc/95/45/58/386954558.db2.gz QJAARMVLYLAHRT-ZWNOBZJWSA-N 1 2 229.327 2.674 20 30 BFEDLO Cc1cc(N2C[C@@H](C)C[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399543421 386991603 /nfs/dbraw/zinc/99/16/03/386991603.db2.gz XSVHUBXJAZZJLQ-QWRGUYRKSA-N 1 2 229.327 2.744 20 30 BFEDLO Cc1cc(N[C@H]2CC[C@H](C)CC2)c(C#N)c[nH+]1 ZINC000399672219 387093348 /nfs/dbraw/zinc/09/33/48/387093348.db2.gz SPFVJEDVHHFRMT-MJHDQNEOSA-N 1 2 229.327 2.674 20 30 BFEDLO C=CCCC[C@H](C)[N@H+](C)Cc1noc(C)n1 ZINC000359519765 387115477 /nfs/dbraw/zinc/11/54/77/387115477.db2.gz HNDPGSSXZNSNIQ-JTQLQIEISA-N 1 2 223.320 2.555 20 30 BFEDLO C=CCCC[C@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC000359519765 387115480 /nfs/dbraw/zinc/11/54/80/387115480.db2.gz HNDPGSSXZNSNIQ-JTQLQIEISA-N 1 2 223.320 2.555 20 30 BFEDLO CC[C@]1(C)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399463039 387123112 /nfs/dbraw/zinc/12/31/12/387123112.db2.gz MJMSFLYDGMXUFT-CQSZACIVSA-N 1 2 229.327 2.888 20 30 BFEDLO Cc1cc(N[C@@H]2C[C@@]2(C)C(C)C)c(C#N)c[nH+]1 ZINC000399463413 387124113 /nfs/dbraw/zinc/12/41/13/387124113.db2.gz WDJYLKQXEYOGRV-KGLIPLIRSA-N 1 2 229.327 2.530 20 30 BFEDLO C#CCCC[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000270868944 387437668 /nfs/dbraw/zinc/43/76/68/387437668.db2.gz BKDBMVOTNRTARI-HNNXBMFYSA-N 1 2 245.322 2.680 20 30 BFEDLO C=C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000265596240 387397939 /nfs/dbraw/zinc/39/79/39/387397939.db2.gz IVPSWFHGVHJZLA-UHFFFAOYSA-N 1 2 208.330 2.604 20 30 BFEDLO CC#CCCCC(=O)Nc1cc[nH+]cc1CC ZINC000274274335 387466811 /nfs/dbraw/zinc/46/68/11/387466811.db2.gz BXHZSFFPWWSVOI-UHFFFAOYSA-N 1 2 230.311 2.776 20 30 BFEDLO CC[N@@H+](Cc1c(C)nsc1C)C[C@@H](C)C#N ZINC000516310352 387492690 /nfs/dbraw/zinc/49/26/90/387492690.db2.gz QTSUMRQSOAWVKP-VIFPVBQESA-N 1 2 237.372 2.742 20 30 BFEDLO CC[N@H+](Cc1c(C)nsc1C)C[C@@H](C)C#N ZINC000516310352 387492693 /nfs/dbraw/zinc/49/26/93/387492693.db2.gz QTSUMRQSOAWVKP-VIFPVBQESA-N 1 2 237.372 2.742 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1C ZINC000042454450 387627967 /nfs/dbraw/zinc/62/79/67/387627967.db2.gz YJXBELZPABCPGB-UHFFFAOYSA-N 1 2 247.298 2.639 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1C ZINC000042454450 387627969 /nfs/dbraw/zinc/62/79/69/387627969.db2.gz YJXBELZPABCPGB-UHFFFAOYSA-N 1 2 247.298 2.639 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336125 387806362 /nfs/dbraw/zinc/80/63/62/387806362.db2.gz UBGRZBILMIVGGE-AWEZNQCLSA-N 1 2 247.342 2.760 20 30 BFEDLO C=C[C@](C)(CC)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336126 387806834 /nfs/dbraw/zinc/80/68/34/387806834.db2.gz UBGRZBILMIVGGE-CQSZACIVSA-N 1 2 247.342 2.760 20 30 BFEDLO C=CC[C@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000172037543 387830720 /nfs/dbraw/zinc/83/07/20/387830720.db2.gz ORBSSNACUXVART-GXTWGEPZSA-N 1 2 247.338 2.845 20 30 BFEDLO C=CC[C@H](C)[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000172037550 387830765 /nfs/dbraw/zinc/83/07/65/387830765.db2.gz ORBSSNACUXVART-JSGCOSHPSA-N 1 2 247.338 2.845 20 30 BFEDLO C[C@@H]1[N@H+](Cc2ccccc2C#N)CCOC1(C)C ZINC000353865216 387835562 /nfs/dbraw/zinc/83/55/62/387835562.db2.gz KGPKSXQTHYCGSR-LBPRGKRZSA-N 1 2 244.338 2.558 20 30 BFEDLO C[C@@H]1[N@@H+](Cc2ccccc2C#N)CCOC1(C)C ZINC000353865216 387835566 /nfs/dbraw/zinc/83/55/66/387835566.db2.gz KGPKSXQTHYCGSR-LBPRGKRZSA-N 1 2 244.338 2.558 20 30 BFEDLO C=CC(C)(C)CCNc1cc(C)[nH+]cc1C#N ZINC000528073944 387843266 /nfs/dbraw/zinc/84/32/66/387843266.db2.gz HRJYOIOYWMJQLQ-UHFFFAOYSA-N 1 2 229.327 2.698 20 30 BFEDLO CCC1(CC)C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000453017203 387961562 /nfs/dbraw/zinc/96/15/62/387961562.db2.gz MSVOAFPWNVNZDE-LBPRGKRZSA-N 1 2 219.332 2.552 20 30 BFEDLO CCC1(CC)C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC000453017200 387961934 /nfs/dbraw/zinc/96/19/34/387961934.db2.gz MSVOAFPWNVNZDE-GFCCVEGCSA-N 1 2 219.332 2.552 20 30 BFEDLO C=C(C)CC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000453321304 388046687 /nfs/dbraw/zinc/04/66/87/388046687.db2.gz PQIZXZAOALNXNH-ZDUSSCGKSA-N 1 2 248.374 2.982 20 30 BFEDLO C=C(C)CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000455438410 388160499 /nfs/dbraw/zinc/16/04/99/388160499.db2.gz LRHJEKLEDJAOND-UHFFFAOYSA-N 1 2 233.315 2.786 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449244703 388161839 /nfs/dbraw/zinc/16/18/39/388161839.db2.gz VFQGSNOMECCBCI-LBPRGKRZSA-N 1 2 246.358 2.780 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449244702 388161939 /nfs/dbraw/zinc/16/19/39/388161939.db2.gz VFQGSNOMECCBCI-GFCCVEGCSA-N 1 2 246.358 2.780 20 30 BFEDLO C=CCOc1ccccc1C[NH2+]C(CF)CF ZINC000449372026 388184283 /nfs/dbraw/zinc/18/42/83/388184283.db2.gz BJZNJPYRSAVBQM-UHFFFAOYSA-N 1 2 241.281 2.649 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456851651 388227601 /nfs/dbraw/zinc/22/76/01/388227601.db2.gz WXDVVZSBQARCDG-GFCCVEGCSA-N 1 2 246.354 2.917 20 30 BFEDLO N#CCCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451798724 388297489 /nfs/dbraw/zinc/29/74/89/388297489.db2.gz MLTHHCGDRAXYHO-CQSZACIVSA-N 1 2 248.301 2.503 20 30 BFEDLO N#CCCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451798724 388297490 /nfs/dbraw/zinc/29/74/90/388297490.db2.gz MLTHHCGDRAXYHO-CQSZACIVSA-N 1 2 248.301 2.503 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1ccco1)c1ccc(F)cc1 ZINC000491692779 388311573 /nfs/dbraw/zinc/31/15/73/388311573.db2.gz SAEJRDRRIBDHTL-CQSZACIVSA-N 1 2 229.254 2.883 20 30 BFEDLO C#C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000491704851 388313177 /nfs/dbraw/zinc/31/31/77/388313177.db2.gz PMWGAWMEHYSFRG-ZDUSSCGKSA-N 1 2 245.713 2.527 20 30 BFEDLO C#CC[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000491811191 388322680 /nfs/dbraw/zinc/32/26/80/388322680.db2.gz KYGMZNVARDGPCN-UHFFFAOYSA-N 1 2 242.347 2.875 20 30 BFEDLO C#CC[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000491811191 388322681 /nfs/dbraw/zinc/32/26/81/388322681.db2.gz KYGMZNVARDGPCN-UHFFFAOYSA-N 1 2 242.347 2.875 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000491071271 388267923 /nfs/dbraw/zinc/26/79/23/388267923.db2.gz IXWLBTGRWPTVNF-GFCCVEGCSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000491071271 388267926 /nfs/dbraw/zinc/26/79/26/388267926.db2.gz IXWLBTGRWPTVNF-GFCCVEGCSA-N 1 2 240.306 2.795 20 30 BFEDLO C[N@H+](CCC#N)Cc1cc(F)cc2cccnc21 ZINC000177191778 388477383 /nfs/dbraw/zinc/47/73/83/388477383.db2.gz WGDVSOQWFCQXNZ-UHFFFAOYSA-N 1 2 243.285 2.719 20 30 BFEDLO C[N@@H+](CCC#N)Cc1cc(F)cc2cccnc21 ZINC000177191778 388477386 /nfs/dbraw/zinc/47/73/86/388477386.db2.gz WGDVSOQWFCQXNZ-UHFFFAOYSA-N 1 2 243.285 2.719 20 30 BFEDLO Cc1sccc1C[N@H+](C)C[C@H](C)C#N ZINC000295066760 135188841 /nfs/dbraw/zinc/18/88/41/135188841.db2.gz ALMOZBXDEMXCOR-SECBINFHSA-N 1 2 208.330 2.648 20 30 BFEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(F)F ZINC000449361483 388747880 /nfs/dbraw/zinc/74/78/80/388747880.db2.gz KROFNPUREHKUHJ-SECBINFHSA-N 1 2 230.283 2.753 20 30 BFEDLO C=C(CC)C[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000539106083 388747890 /nfs/dbraw/zinc/74/78/90/388747890.db2.gz XPVQYUSJBGRNJI-UHFFFAOYSA-N 1 2 247.338 2.628 20 30 BFEDLO C=C(CC)C[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000539106083 388747892 /nfs/dbraw/zinc/74/78/92/388747892.db2.gz XPVQYUSJBGRNJI-UHFFFAOYSA-N 1 2 247.338 2.628 20 30 BFEDLO COc1ccc(C#N)cc1COc1cc[nH+]cc1 ZINC000431516670 388730689 /nfs/dbraw/zinc/73/06/89/388730689.db2.gz GDZGQRXSHVCBIQ-UHFFFAOYSA-N 1 2 240.262 2.541 20 30 BFEDLO CC#CC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000274329545 389046413 /nfs/dbraw/zinc/04/64/13/389046413.db2.gz ANJUSXMGRYINCU-ZETCQYMHSA-N 1 2 248.273 2.836 20 30 BFEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccon1 ZINC000349831939 133917503 /nfs/dbraw/zinc/91/75/03/133917503.db2.gz IPTUCSFYKRTESB-QWRGUYRKSA-N 1 2 241.294 2.958 20 30 BFEDLO CN(Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1C#N ZINC000336111963 134086758 /nfs/dbraw/zinc/08/67/58/134086758.db2.gz SPEHXULWTVSNQH-UHFFFAOYSA-N 1 2 246.701 2.571 20 30 BFEDLO N#CCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000336356222 134144754 /nfs/dbraw/zinc/14/47/54/134144754.db2.gz JPLPLXSYXJNMAM-UHFFFAOYSA-N 1 2 240.310 2.693 20 30 BFEDLO C=C1CC[NH+](Cc2ncc(CC)s2)CC1 ZINC000336389984 134145826 /nfs/dbraw/zinc/14/58/26/134145826.db2.gz XYCQMVGIXUDZNZ-UHFFFAOYSA-N 1 2 222.357 2.858 20 30 BFEDLO C=CCNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000301972907 134156757 /nfs/dbraw/zinc/15/67/57/134156757.db2.gz UNURWZNPCGNJAI-UHFFFAOYSA-N 1 2 229.283 2.545 20 30 BFEDLO C=C(C)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000302060958 134157333 /nfs/dbraw/zinc/15/73/33/134157333.db2.gz SBEVALNWBBQVIL-UHFFFAOYSA-N 1 2 201.273 2.575 20 30 BFEDLO C=C1CC[NH+](Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000353321441 134163201 /nfs/dbraw/zinc/16/32/01/134163201.db2.gz QKQCCYWATUDIAD-QGZVFWFLSA-N 1 2 249.379 2.576 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000354025351 134165753 /nfs/dbraw/zinc/16/57/53/134165753.db2.gz CEXJPQCFSPJAFS-SNVBAGLBSA-N 1 2 245.351 2.744 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000354025351 134165754 /nfs/dbraw/zinc/16/57/54/134165754.db2.gz CEXJPQCFSPJAFS-SNVBAGLBSA-N 1 2 245.351 2.744 20 30 BFEDLO Cc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000354033455 134165974 /nfs/dbraw/zinc/16/59/74/134165974.db2.gz LKWILFFIBZSHDQ-SNVBAGLBSA-N 1 2 218.300 2.712 20 30 BFEDLO Cc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000354033455 134165975 /nfs/dbraw/zinc/16/59/75/134165975.db2.gz LKWILFFIBZSHDQ-SNVBAGLBSA-N 1 2 218.300 2.712 20 30 BFEDLO C[N@H+](Cc1ccc(C#N)cc1F)CC(C)(C)C#N ZINC000354036272 134166189 /nfs/dbraw/zinc/16/61/89/134166189.db2.gz GILORSQPBSSJOH-UHFFFAOYSA-N 1 2 245.301 2.679 20 30 BFEDLO C[N@@H+](Cc1ccc(C#N)cc1F)CC(C)(C)C#N ZINC000354036272 134166190 /nfs/dbraw/zinc/16/61/90/134166190.db2.gz GILORSQPBSSJOH-UHFFFAOYSA-N 1 2 245.301 2.679 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@H+](C)CC(C)(C)C#N ZINC000354041197 134166563 /nfs/dbraw/zinc/16/65/63/134166563.db2.gz RJOVQTPIAXMQMW-UHFFFAOYSA-N 1 2 248.374 2.754 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000354041197 134166564 /nfs/dbraw/zinc/16/65/64/134166564.db2.gz RJOVQTPIAXMQMW-UHFFFAOYSA-N 1 2 248.374 2.754 20 30 BFEDLO CC[N@@H+](CC#N)CC[C@H](C)OCc1ccccc1 ZINC000354869059 134170578 /nfs/dbraw/zinc/17/05/78/134170578.db2.gz GAVKJFJLDPTXIU-AWEZNQCLSA-N 1 2 246.354 2.827 20 30 BFEDLO CC[N@H+](CC#N)CC[C@H](C)OCc1ccccc1 ZINC000354869059 134170579 /nfs/dbraw/zinc/17/05/79/134170579.db2.gz GAVKJFJLDPTXIU-AWEZNQCLSA-N 1 2 246.354 2.827 20 30 BFEDLO C=C[C@@H](CO)Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000357606204 134184581 /nfs/dbraw/zinc/18/45/81/134184581.db2.gz ZYHTYNMQHMZPJS-JTQLQIEISA-N 1 2 246.285 2.641 20 30 BFEDLO COc1cccc(C2=CC[N@H+](CCC#N)CC2)c1 ZINC000363127964 134214977 /nfs/dbraw/zinc/21/49/77/134214977.db2.gz ICVJSUGAJDUHTP-UHFFFAOYSA-N 1 2 242.322 2.698 20 30 BFEDLO COc1cccc(C2=CC[N@@H+](CCC#N)CC2)c1 ZINC000363127964 134214978 /nfs/dbraw/zinc/21/49/78/134214978.db2.gz ICVJSUGAJDUHTP-UHFFFAOYSA-N 1 2 242.322 2.698 20 30 BFEDLO C=C(C)C[N@@H+](C)[C@@H](C(=O)OCC)c1ccccc1 ZINC000181247319 134334394 /nfs/dbraw/zinc/33/43/94/134334394.db2.gz OWICVVNJLKLGDI-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C(C)C[N@H+](C)[C@@H](C(=O)OCC)c1ccccc1 ZINC000181247319 134334395 /nfs/dbraw/zinc/33/43/95/134334395.db2.gz OWICVVNJLKLGDI-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000181293377 134335425 /nfs/dbraw/zinc/33/54/25/134335425.db2.gz ZMXZRRVJORQKGT-UHFFFAOYSA-N 1 2 226.301 2.664 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000181327107 134335766 /nfs/dbraw/zinc/33/57/66/134335766.db2.gz XJIIZQVUWBLCQM-UHFFFAOYSA-N 1 2 243.310 2.745 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000181327107 134335767 /nfs/dbraw/zinc/33/57/67/134335767.db2.gz XJIIZQVUWBLCQM-UHFFFAOYSA-N 1 2 243.310 2.745 20 30 BFEDLO C[N@H+](Cc1ccco1)Cc1cccc(C#N)c1F ZINC000223516975 134340681 /nfs/dbraw/zinc/34/06/81/134340681.db2.gz NQUZBHPALWKSMI-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C[N@@H+](Cc1ccco1)Cc1cccc(C#N)c1F ZINC000223516975 134340682 /nfs/dbraw/zinc/34/06/82/134340682.db2.gz NQUZBHPALWKSMI-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708883 134394965 /nfs/dbraw/zinc/39/49/65/134394965.db2.gz ARZCINFDKOEJOH-VIFPVBQESA-N 1 2 242.244 2.886 20 30 BFEDLO N#CCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846671 134397952 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/nfs/dbraw/zinc/27/39/07/488273907.db2.gz MQOSRMPGXUOIKW-NXEZZACHSA-N 1 2 237.265 2.604 20 30 BFEDLO C=CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000185000227 534352483 /nfs/dbraw/zinc/35/24/83/534352483.db2.gz DEBYLONFCQKYNF-GXTWGEPZSA-N 1 2 247.338 2.763 20 30 BFEDLO C=CC[C@H](CC)Nc1cc[nH+]c2ccncc12 ZINC000357684400 534361690 /nfs/dbraw/zinc/36/16/90/534361690.db2.gz LDYPKJHZNOUVMN-NSHDSACASA-N 1 2 227.311 2.818 20 30 BFEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000358484890 534393774 /nfs/dbraw/zinc/39/37/74/534393774.db2.gz AZEQUZPYOVXXRI-ZDUSSCGKSA-N 1 2 235.327 2.928 20 30 BFEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000358484890 534393785 /nfs/dbraw/zinc/39/37/85/534393785.db2.gz AZEQUZPYOVXXRI-ZDUSSCGKSA-N 1 2 235.327 2.928 20 30 BFEDLO C=CC1CCN(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000121416301 534525387 /nfs/dbraw/zinc/52/53/87/534525387.db2.gz YBSKRINJKLWNFK-UHFFFAOYSA-N 1 2 245.326 2.820 20 30 BFEDLO C=CCCCN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301912875 534715579 /nfs/dbraw/zinc/71/55/79/534715579.db2.gz UCDNJKYRNPPMCC-UHFFFAOYSA-N 1 2 242.326 2.614 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccc(F)cc1C#N ZINC000103226328 534830514 /nfs/dbraw/zinc/83/05/14/534830514.db2.gz VNEJUITYIASSDD-UHFFFAOYSA-N 1 2 230.286 2.871 20 30 BFEDLO C=CC[N@@H+](Cc1ccncc1Cl)C1CC1 ZINC000357554847 534840903 /nfs/dbraw/zinc/84/09/03/534840903.db2.gz QUYOEFJZEMVAOF-UHFFFAOYSA-N 1 2 222.719 2.885 20 30 BFEDLO C=CC[N@H+](Cc1ccncc1Cl)C1CC1 ZINC000357554847 534840906 /nfs/dbraw/zinc/84/09/06/534840906.db2.gz QUYOEFJZEMVAOF-UHFFFAOYSA-N 1 2 222.719 2.885 20 30 BFEDLO C=CC[N@H+](Cc1cccs1)Cc1n[nH]cc1C ZINC000356104066 534841580 /nfs/dbraw/zinc/84/15/80/534841580.db2.gz UHPHFDKKGBTKSL-UHFFFAOYSA-N 1 2 247.367 2.968 20 30 BFEDLO C=CC[N@@H+](Cc1cccs1)Cc1n[nH]cc1C ZINC000356104066 534841586 /nfs/dbraw/zinc/84/15/86/534841586.db2.gz UHPHFDKKGBTKSL-UHFFFAOYSA-N 1 2 247.367 2.968 20 30 BFEDLO C=CC[N@H+](Cc1cccs1)Cc1[nH]ncc1C ZINC000356104066 534841593 /nfs/dbraw/zinc/84/15/93/534841593.db2.gz UHPHFDKKGBTKSL-UHFFFAOYSA-N 1 2 247.367 2.968 20 30 BFEDLO C=CC[N@@H+](Cc1cccs1)Cc1[nH]ncc1C ZINC000356104066 534841596 /nfs/dbraw/zinc/84/15/96/534841596.db2.gz UHPHFDKKGBTKSL-UHFFFAOYSA-N 1 2 247.367 2.968 20 30 BFEDLO C=C(CC)CSc1nc(N)cc(CC)[nH+]1 ZINC000308808284 526862850 /nfs/dbraw/zinc/86/28/50/526862850.db2.gz BLPRQXNYQMFRHY-UHFFFAOYSA-N 1 2 223.345 2.680 20 30 BFEDLO C[N@H+](CC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000335996923 536165706 /nfs/dbraw/zinc/16/57/06/536165706.db2.gz CNFPZFNNXDLTIT-UONOGXRCSA-N 1 2 248.301 2.501 20 30 BFEDLO C[N@@H+](CC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000335996923 536165709 /nfs/dbraw/zinc/16/57/09/536165709.db2.gz CNFPZFNNXDLTIT-UONOGXRCSA-N 1 2 248.301 2.501 20 30 BFEDLO CC[N@@H+](Cc1cc(C)co1)C[C@@H](C)C#N ZINC000893994578 583267514 /nfs/dbraw/zinc/26/75/14/583267514.db2.gz ITRISHIEASVPLN-NSHDSACASA-N 1 2 206.289 2.570 20 30 BFEDLO CC[N@H+](Cc1cc(C)co1)C[C@@H](C)C#N ZINC000893994578 583267516 /nfs/dbraw/zinc/26/75/16/583267516.db2.gz ITRISHIEASVPLN-NSHDSACASA-N 1 2 206.289 2.570 20 30 BFEDLO Cc1coc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000894085497 583295978 /nfs/dbraw/zinc/29/59/78/583295978.db2.gz RRGJPQJJYPZHRL-NSHDSACASA-N 1 2 218.300 2.712 20 30 BFEDLO Cc1coc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000894085497 583295983 /nfs/dbraw/zinc/29/59/83/583295983.db2.gz RRGJPQJJYPZHRL-NSHDSACASA-N 1 2 218.300 2.712 20 30 BFEDLO CC1(C)CC(/[NH+]=C\c2ccccc2O)C1 ZINC000852998250 588715013 /nfs/dbraw/zinc/71/50/13/588715013.db2.gz JKTXEWYTNWWOHI-ZROIWOOFSA-N 1 2 203.285 3.000 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NN1CCCC[C@H]1C ZINC000853383018 588739949 /nfs/dbraw/zinc/73/99/49/588739949.db2.gz BVDYUYZGKSRVKI-GFCCVEGCSA-N 1 2 234.347 2.672 20 30 BFEDLO C#C[C@H](C)N(C)c1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000853542198 588748411 /nfs/dbraw/zinc/74/84/11/588748411.db2.gz XMRPPVDBZPJWBY-VIFPVBQESA-N 1 2 242.244 2.867 20 30 BFEDLO CC(C)=CCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000853646694 588752023 /nfs/dbraw/zinc/75/20/23/588752023.db2.gz WZCGTNOIZDGWHI-UHFFFAOYSA-N 1 2 236.290 2.819 20 30 BFEDLO NC(=[NH+]OCCC1CCC1)c1ccc(F)cc1 ZINC000853646752 588752149 /nfs/dbraw/zinc/75/21/49/588752149.db2.gz YIQHWZRDQLNKSG-UHFFFAOYSA-N 1 2 236.290 2.653 20 30 BFEDLO C=C1CCC(C(=O)OCCCn2cc[nH+]c2)CC1 ZINC000885652376 588771120 /nfs/dbraw/zinc/77/11/20/588771120.db2.gz TZZKTNMSOOIZSH-UHFFFAOYSA-N 1 2 248.326 2.563 20 30 BFEDLO CCCCCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000112639216 588808582 /nfs/dbraw/zinc/80/85/82/588808582.db2.gz ZGEGJLQAMXWZCF-UHFFFAOYSA-N 1 2 237.347 2.729 20 30 BFEDLO C(=NOC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000812237081 582497879 /nfs/dbraw/zinc/49/78/79/582497879.db2.gz JJGDDZXCPMSFOF-UHFFFAOYSA-N 1 2 241.294 2.775 20 30 BFEDLO C#CCN(c1cc(C)[nH+]c(CC)n1)C1CCCC1 ZINC000804690664 582528005 /nfs/dbraw/zinc/52/80/05/582528005.db2.gz DELQTTOWILZSMJ-UHFFFAOYSA-N 1 2 243.354 2.730 20 30 BFEDLO CC[N@@H+](Cc1cnn(C2CCC2)c1)C[C@H](C)C#N ZINC000891715816 582713628 /nfs/dbraw/zinc/71/36/28/582713628.db2.gz HEFHXYAYWJLGFP-GFCCVEGCSA-N 1 2 246.358 2.590 20 30 BFEDLO CC[N@H+](Cc1cnn(C2CCC2)c1)C[C@H](C)C#N ZINC000891715816 582713630 /nfs/dbraw/zinc/71/36/30/582713630.db2.gz HEFHXYAYWJLGFP-GFCCVEGCSA-N 1 2 246.358 2.590 20 30 BFEDLO C=CCOc1ccccc1C[NH2+]Cc1ccon1 ZINC000093305866 582875786 /nfs/dbraw/zinc/87/57/86/582875786.db2.gz IKTWKCPDTVRHGG-UHFFFAOYSA-N 1 2 244.294 2.529 20 30 BFEDLO C=C1CCN(c2cc(CC)[nH+]c(CC)n2)CC1 ZINC000892415258 582882095 /nfs/dbraw/zinc/88/20/95/582882095.db2.gz FMXAUGDAYWMOAT-UHFFFAOYSA-N 1 2 231.343 2.758 20 30 BFEDLO CC(=[NH+]OCC1CCC1)c1cc(N)ccc1F ZINC000853440314 583054326 /nfs/dbraw/zinc/05/43/26/583054326.db2.gz CYVYZROFOFOHBG-UHFFFAOYSA-N 1 2 236.290 2.949 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CC[C@@H]1CC1(F)F ZINC000856719716 588875195 /nfs/dbraw/zinc/87/51/95/588875195.db2.gz WJPDFSIXLYKQFL-IIBSKXHVSA-N 1 2 225.238 2.856 20 30 BFEDLO Cc1cc(F)ncc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000893528355 583158089 /nfs/dbraw/zinc/15/80/89/583158089.db2.gz XENPNEXLXPCCJK-AWEZNQCLSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1cc(F)ncc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000893528355 583158092 /nfs/dbraw/zinc/15/80/92/583158092.db2.gz XENPNEXLXPCCJK-AWEZNQCLSA-N 1 2 247.317 2.655 20 30 BFEDLO CC[N@@H+](Cc1ccc(SC)o1)C[C@@H](C)C#N ZINC000893995456 583267336 /nfs/dbraw/zinc/26/73/36/583267336.db2.gz QSDFHHDWERRJMK-JTQLQIEISA-N 1 2 238.356 2.983 20 30 BFEDLO CC[N@H+](Cc1ccc(SC)o1)C[C@@H](C)C#N ZINC000893995456 583267339 /nfs/dbraw/zinc/26/73/39/583267339.db2.gz QSDFHHDWERRJMK-JTQLQIEISA-N 1 2 238.356 2.983 20 30 BFEDLO CC(C)c1c[nH]c(CN(C[C@@H](C)C#N)C2CC2)[nH+]1 ZINC000894083108 583295586 /nfs/dbraw/zinc/29/55/86/583295586.db2.gz CDLPLFIKYOQRBV-NSHDSACASA-N 1 2 246.358 2.657 20 30 BFEDLO CO[C@H](C)CC/[NH+]=C/c1cc(Cl)ccc1O ZINC000726428771 583353061 /nfs/dbraw/zinc/35/30/61/583353061.db2.gz FATWXYGXZDBRQO-MBBDXHFBSA-N 1 2 241.718 2.890 20 30 BFEDLO C[N@H+](Cc1ccnc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879309880 583422246 /nfs/dbraw/zinc/42/22/46/583422246.db2.gz YCXGBQFQFWMSAN-VXGBXAGGSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccnc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879309880 583422248 /nfs/dbraw/zinc/42/22/48/583422248.db2.gz YCXGBQFQFWMSAN-VXGBXAGGSA-N 1 2 249.745 2.859 20 30 BFEDLO CSc1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000895024750 583570857 /nfs/dbraw/zinc/57/08/57/583570857.db2.gz DUQVGLPNZUHVCG-UHFFFAOYSA-N 1 2 236.340 2.785 20 30 BFEDLO C[N@H+](Cc1ccns1)Cc1cc(C#N)cs1 ZINC000895454326 583677775 /nfs/dbraw/zinc/67/77/75/583677775.db2.gz XBIFNVKICICCFJ-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO C[N@@H+](Cc1ccns1)Cc1cc(C#N)cs1 ZINC000895454326 583677777 /nfs/dbraw/zinc/67/77/77/583677777.db2.gz XBIFNVKICICCFJ-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO CCOc1ccc(/C=[NH+]\[C@@H]2C[C@H]2C)c(O)c1 ZINC000727685635 583736074 /nfs/dbraw/zinc/73/60/74/583736074.db2.gz VCNMQBSQKVFVDF-WDMMMDRRSA-N 1 2 219.284 2.618 20 30 BFEDLO CCCCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857990161 588926238 /nfs/dbraw/zinc/92/62/38/588926238.db2.gz SHBGZERUJSTAII-LBPRGKRZSA-N 1 2 249.358 2.805 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3cnccc3o2)C1 ZINC000896500531 583807048 /nfs/dbraw/zinc/80/70/48/583807048.db2.gz GXGRJXDZVXMNLX-NSHDSACASA-N 1 2 241.294 2.563 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000896500531 583807049 /nfs/dbraw/zinc/80/70/49/583807049.db2.gz GXGRJXDZVXMNLX-NSHDSACASA-N 1 2 241.294 2.563 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)ccc1F ZINC000896501649 583807432 /nfs/dbraw/zinc/80/74/32/583807432.db2.gz GVGDTCMJJZVGIN-CYBMUJFWSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)ccc1F ZINC000896501649 583807434 /nfs/dbraw/zinc/80/74/34/583807434.db2.gz GVGDTCMJJZVGIN-CYBMUJFWSA-N 1 2 232.302 2.870 20 30 BFEDLO COc1cccc(/C=[NH+]/CC[C@H](C)F)c1O ZINC000840705921 583840783 /nfs/dbraw/zinc/84/07/83/583840783.db2.gz IJQFKOSIMKZDRV-PFMRQGHBSA-N 1 2 225.263 2.568 20 30 BFEDLO N#CC[C@@H]1CC[C@H](/[NH+]=C\c2ccccc2O)C1 ZINC000840705911 583840865 /nfs/dbraw/zinc/84/08/65/583840865.db2.gz GHDJHGMXDVNFTJ-BGYDPHNSSA-N 1 2 228.295 2.893 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\CC[C@H](C)F)c1 ZINC000840707773 583849876 /nfs/dbraw/zinc/84/98/76/583849876.db2.gz YJIPEKPHGWKJEZ-JNNKLVPLSA-N 1 2 225.263 2.568 20 30 BFEDLO CCOc1cccc(/C=[NH+]/CC[C@H](C)F)c1O ZINC000840708000 583850334 /nfs/dbraw/zinc/85/03/34/583850334.db2.gz ZJCNXRPCBDGCAI-CNOAHFENSA-N 1 2 239.290 2.958 20 30 BFEDLO CC[C@H](C)[C@@H](C/[NH+]=C/c1ccccc1O)OC ZINC000840708189 583850821 /nfs/dbraw/zinc/85/08/21/583850821.db2.gz UVNAEVGIAOOXFM-VTTYLAKYSA-N 1 2 235.327 2.872 20 30 BFEDLO Oc1cccc(/C=[NH+]\[C@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000840709401 583855508 /nfs/dbraw/zinc/85/55/08/583855508.db2.gz CQXBIEHLHGZVRV-ZNKUPBPRSA-N 1 2 231.295 2.705 20 30 BFEDLO C[C@@H]1C[C@H](/[NH+]=C/c2ccccc2O)CS1 ZINC000840711434 583878709 /nfs/dbraw/zinc/87/87/09/583878709.db2.gz QTIWNKCCDXDJOH-UTKPERQGSA-N 1 2 221.325 2.705 20 30 BFEDLO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@@](C)(C#N)C1 ZINC000897585191 584021888 /nfs/dbraw/zinc/02/18/88/584021888.db2.gz RPMWUABBSQTGHP-KKUMJFAQSA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@@](C)(C#N)C1 ZINC000897585191 584021889 /nfs/dbraw/zinc/02/18/89/584021889.db2.gz RPMWUABBSQTGHP-KKUMJFAQSA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCO[C@@](C)(C#N)C2)C1 ZINC000897584891 584021917 /nfs/dbraw/zinc/02/19/17/584021917.db2.gz MIAYJYXROZUGBU-QEJZJMRPSA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=C[C@H](C)C[C@H](C[N@H+]2CCO[C@@](C)(C#N)C2)C1 ZINC000897584891 584021918 /nfs/dbraw/zinc/02/19/18/584021918.db2.gz MIAYJYXROZUGBU-QEJZJMRPSA-N 1 2 248.370 2.593 20 30 BFEDLO C=CCOCCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865943868 584035204 /nfs/dbraw/zinc/03/52/04/584035204.db2.gz ZSYAZNIWBBDKKP-UHFFFAOYSA-N 1 2 249.358 2.680 20 30 BFEDLO CC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866214620 584116761 /nfs/dbraw/zinc/11/67/61/584116761.db2.gz QBBZYNNBSPQMFY-VHSXEESVSA-N 1 2 218.300 2.713 20 30 BFEDLO COC[C@@H](C/[NH+]=C/c1ccccc1O)C(C)C ZINC000899227397 584182225 /nfs/dbraw/zinc/18/22/25/584182225.db2.gz KQQWPSJQBTYKDL-MGMWDDNKSA-N 1 2 235.327 2.730 20 30 BFEDLO Oc1ccc(/C=[NH+]\CCC2CC=CC2)c(O)c1O ZINC000899226768 584182506 /nfs/dbraw/zinc/18/25/06/584182506.db2.gz YMYBMKKGSOAPEW-DHDCSXOGSA-N 1 2 247.294 2.579 20 30 BFEDLO CC1(C)CCC/C(=C/c2ccc(N)[nH+]c2)C1=O ZINC000899363685 584205111 /nfs/dbraw/zinc/20/51/11/584205111.db2.gz QXPNIFCVGQYYET-FLIBITNWSA-N 1 2 230.311 2.826 20 30 BFEDLO CC(C)C[C@@H](C)C=[NH+]n1nnc2c1CCCC2 ZINC000901331165 584425121 /nfs/dbraw/zinc/42/51/21/584425121.db2.gz LCKNYJJIEKXRPI-LLVKDONJSA-N 1 2 234.347 2.673 20 30 BFEDLO Cn1c[nH+]cc1/C=C1/CCCC(C)(C)C1=O ZINC000901481312 584449510 /nfs/dbraw/zinc/44/95/10/584449510.db2.gz ANRNGZJOURVRKB-YFHOEESVSA-N 1 2 218.300 2.583 20 30 BFEDLO Cc1cc(C#N)cc(C)c1COCc1[nH]cc[nH+]1 ZINC000902395266 584584861 /nfs/dbraw/zinc/58/48/61/584584861.db2.gz CAVUVXGBJUEBOY-UHFFFAOYSA-N 1 2 241.294 2.615 20 30 BFEDLO Cc1cn(Cc2cc(C)cc(C)[nH+]2)cc1C#N ZINC000902719813 584658196 /nfs/dbraw/zinc/65/81/96/584658196.db2.gz VKLVPELGPVIZKI-UHFFFAOYSA-N 1 2 225.295 2.728 20 30 BFEDLO C#Cc1ccc(NCc2cn(C3CC3)c[nH+]2)cc1 ZINC000902729445 584662146 /nfs/dbraw/zinc/66/21/46/584662146.db2.gz SMOQNJZHYXMCQC-UHFFFAOYSA-N 1 2 237.306 2.811 20 30 BFEDLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1cccc(C#N)c1 ZINC000902796623 584674400 /nfs/dbraw/zinc/67/44/00/584674400.db2.gz RVZGHQMHJHLQAG-CQSZACIVSA-N 1 2 240.310 2.522 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1c(O)cccc1F ZINC000903035673 584719525 /nfs/dbraw/zinc/71/95/25/584719525.db2.gz SIPSLGMPPYUTEB-SNVBAGLBSA-N 1 2 248.301 2.876 20 30 BFEDLO C=CCCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904270114 584858644 /nfs/dbraw/zinc/85/86/44/584858644.db2.gz WVZKEVNMOSXVBR-UHFFFAOYSA-N 1 2 244.298 2.531 20 30 BFEDLO CC(=[NH+]OC(C)C)c1cc(F)c(N)c(F)c1 ZINC000835001939 584917019 /nfs/dbraw/zinc/91/70/19/584917019.db2.gz KYMFOYUJRRIIEZ-UHFFFAOYSA-N 1 2 228.242 2.696 20 30 BFEDLO CC(C[NH+]1Cc2ccccc2C1)=NOC(C)C ZINC000835001203 584917049 /nfs/dbraw/zinc/91/70/49/584917049.db2.gz DSEKPTJJVGMGNJ-UHFFFAOYSA-N 1 2 232.327 2.803 20 30 BFEDLO Cc1cc(C)cc(C(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000731159373 584922953 /nfs/dbraw/zinc/92/29/53/584922953.db2.gz PDPKSAVCUCYTIC-ONEGZZNKSA-N 1 2 226.279 2.923 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)ccc1F ZINC000769449135 584965853 /nfs/dbraw/zinc/96/58/53/584965853.db2.gz ZTYDEVQJPJFPJM-UHFFFAOYSA-N 1 2 229.298 2.593 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1cc(C)ccc1F ZINC000769449135 584965854 /nfs/dbraw/zinc/96/58/54/584965854.db2.gz ZTYDEVQJPJFPJM-UHFFFAOYSA-N 1 2 229.298 2.593 20 30 BFEDLO Fc1cccc(Cl)c1N=NCc1c[nH+]c[nH]1 ZINC000769828952 584972125 /nfs/dbraw/zinc/97/21/25/584972125.db2.gz KLQRJIIEIZPADL-UHFFFAOYSA-N 1 2 238.653 2.648 20 30 BFEDLO Fc1cccc(Cl)c1N=NCc1c[nH]c[nH+]1 ZINC000769828952 584972126 /nfs/dbraw/zinc/97/21/26/584972126.db2.gz KLQRJIIEIZPADL-UHFFFAOYSA-N 1 2 238.653 2.648 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1Cl ZINC000741779713 585117949 /nfs/dbraw/zinc/11/79/49/585117949.db2.gz DYWUWHFXSPGUBW-UHFFFAOYSA-N 1 2 231.726 2.799 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccccc1Cl ZINC000741779713 585117950 /nfs/dbraw/zinc/11/79/50/585117950.db2.gz DYWUWHFXSPGUBW-UHFFFAOYSA-N 1 2 231.726 2.799 20 30 BFEDLO C#CC[N@@H+](CC)[C@H](C)c1c(F)cccc1F ZINC000746144042 585163532 /nfs/dbraw/zinc/16/35/32/585163532.db2.gz JREDLABBZWAFNO-SNVBAGLBSA-N 1 2 223.266 2.981 20 30 BFEDLO C#CC[N@H+](CC)[C@H](C)c1c(F)cccc1F ZINC000746144042 585163533 /nfs/dbraw/zinc/16/35/33/585163533.db2.gz JREDLABBZWAFNO-SNVBAGLBSA-N 1 2 223.266 2.981 20 30 BFEDLO C[C@@H](Cc1ccncc1)/[NH+]=C\c1ccccc1O ZINC000749844515 585207445 /nfs/dbraw/zinc/20/74/45/585207445.db2.gz KQNOZBXDJNWYPP-UEMWTREESA-N 1 2 240.306 2.837 20 30 BFEDLO C[C@H](C#N)C[N@H+](C[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000754369983 585283174 /nfs/dbraw/zinc/28/31/74/585283174.db2.gz ABHBQLSBJHFGDY-BDAKNGLRSA-N 1 2 247.169 2.804 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000754369983 585283175 /nfs/dbraw/zinc/28/31/75/585283175.db2.gz ABHBQLSBJHFGDY-BDAKNGLRSA-N 1 2 247.169 2.804 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(Cl)n1)C1CC1 ZINC000754373951 585283525 /nfs/dbraw/zinc/28/35/25/585283525.db2.gz SIBDNVJLWBCBGA-JTQLQIEISA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(Cl)n1)C1CC1 ZINC000754373951 585283526 /nfs/dbraw/zinc/28/35/26/585283526.db2.gz SIBDNVJLWBCBGA-JTQLQIEISA-N 1 2 249.745 2.859 20 30 BFEDLO Oc1cccc(/C=[NH+]\CCC2CCC2)c1O ZINC000755031029 585293448 /nfs/dbraw/zinc/29/34/48/585293448.db2.gz FBKCMKZCTPJMML-ZROIWOOFSA-N 1 2 219.284 2.707 20 30 BFEDLO CCCCCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000755257488 585296771 /nfs/dbraw/zinc/29/67/71/585296771.db2.gz ZTAJKGRBBUDKGF-UHFFFAOYSA-N 1 2 237.347 2.808 20 30 BFEDLO CN(C)c1ncc(C=[NH+]Nc2ccccc2)s1 ZINC000755462136 585299907 /nfs/dbraw/zinc/29/99/07/585299907.db2.gz NXKJVOHQAWYKHZ-UHFFFAOYSA-N 1 2 246.339 2.655 20 30 BFEDLO Cc1noc(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000755671862 585303840 /nfs/dbraw/zinc/30/38/40/585303840.db2.gz NPDOXIGNAGYTBR-UHFFFAOYSA-N 1 2 235.331 2.663 20 30 BFEDLO Cc1noc(C)c1C[N@H+](CCC#N)CC(C)C ZINC000755671862 585303841 /nfs/dbraw/zinc/30/38/41/585303841.db2.gz NPDOXIGNAGYTBR-UHFFFAOYSA-N 1 2 235.331 2.663 20 30 BFEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc(F)cc(F)c1 ZINC000755707015 585304578 /nfs/dbraw/zinc/30/45/78/585304578.db2.gz VOLMNLMKTXQJII-OWOJBTEDSA-N 1 2 234.205 2.584 20 30 BFEDLO Cc1ccc2[nH+]cc(C=NOCC(C)C)n2c1 ZINC000755802811 585307685 /nfs/dbraw/zinc/30/76/85/585307685.db2.gz XAXRCBZXSZPCOK-UHFFFAOYSA-N 1 2 231.299 2.649 20 30 BFEDLO C#CC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000758751890 585359789 /nfs/dbraw/zinc/35/97/89/585359789.db2.gz MKDCRHUAHSIDGJ-VIFPVBQESA-N 1 2 221.250 2.517 20 30 BFEDLO C#CC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000758751890 585359790 /nfs/dbraw/zinc/35/97/90/585359790.db2.gz MKDCRHUAHSIDGJ-VIFPVBQESA-N 1 2 221.250 2.517 20 30 BFEDLO C#CCCOc1cc[nH+]c2cc(OC)ccc21 ZINC000760361644 585391383 /nfs/dbraw/zinc/39/13/83/585391383.db2.gz DRSZQTCLZRQNAQ-UHFFFAOYSA-N 1 2 227.263 2.646 20 30 BFEDLO Nc1ncccc1C=[NH+]Nc1ccccc1Cl ZINC000764648762 585469941 /nfs/dbraw/zinc/46/99/41/585469941.db2.gz JDDXFDCRWSZASO-UHFFFAOYSA-N 1 2 246.701 2.763 20 30 BFEDLO CC/C=C/CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000768927791 585546108 /nfs/dbraw/zinc/54/61/08/585546108.db2.gz TYOIOFAGMZYZMX-ONEGZZNKSA-N 1 2 236.290 2.819 20 30 BFEDLO C=C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769338573 585554325 /nfs/dbraw/zinc/55/43/25/585554325.db2.gz KXFLAGADUSSDFE-UHFFFAOYSA-N 1 2 218.300 2.704 20 30 BFEDLO C=CC[N@@H+](Cn1ccc(C(F)(F)F)n1)C1CC1 ZINC000771642325 585598130 /nfs/dbraw/zinc/59/81/30/585598130.db2.gz PIURYWCOHYAUDG-UHFFFAOYSA-N 1 2 245.248 2.510 20 30 BFEDLO C=CC[N@H+](Cn1ccc(C(F)(F)F)n1)C1CC1 ZINC000771642325 585598131 /nfs/dbraw/zinc/59/81/31/585598131.db2.gz PIURYWCOHYAUDG-UHFFFAOYSA-N 1 2 245.248 2.510 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000773176912 585632939 /nfs/dbraw/zinc/63/29/39/585632939.db2.gz AEVRHOWOEZBJSE-UHFFFAOYSA-N 1 2 236.290 2.737 20 30 BFEDLO O=C1c2cc(F)ccc2CC/C1=C\c1[nH]cc[nH+]1 ZINC000776192864 585692425 /nfs/dbraw/zinc/69/24/25/585692425.db2.gz LWCYLTTVHHAQTG-JXMROGBWSA-N 1 2 242.253 2.761 20 30 BFEDLO Cc1cc[nH+]cc1CCC=NNC1CCCC1 ZINC000776729007 585703649 /nfs/dbraw/zinc/70/36/49/585703649.db2.gz GRHNUCCZEXEFQX-UHFFFAOYSA-N 1 2 231.343 2.841 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(C#N)c(F)c1 ZINC000776742679 585704009 /nfs/dbraw/zinc/70/40/09/585704009.db2.gz PIXUKEPGMPFTPJ-SECBINFHSA-N 1 2 245.257 2.536 20 30 BFEDLO C[C@H](/[NH+]=C/c1ccccc1O)[C@@H]1CCCOC1 ZINC000779708086 585759283 /nfs/dbraw/zinc/75/92/83/585759283.db2.gz RQSRBTCTNVNACI-VBTYFWCOSA-N 1 2 233.311 2.626 20 30 BFEDLO CC(C)c1cnc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000780334908 585777957 /nfs/dbraw/zinc/77/79/57/585777957.db2.gz NMWGVHDKJBXIIT-UHFFFAOYSA-N 1 2 247.342 2.924 20 30 BFEDLO Cc1nc(F)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000787202332 585902886 /nfs/dbraw/zinc/90/28/86/585902886.db2.gz QHCJVFXAQBIFIL-SNVBAGLBSA-N 1 2 247.317 2.653 20 30 BFEDLO Cc1nc(F)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000787202332 585902887 /nfs/dbraw/zinc/90/28/87/585902887.db2.gz QHCJVFXAQBIFIL-SNVBAGLBSA-N 1 2 247.317 2.653 20 30 BFEDLO Cc1nc(F)ccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000787270577 585904244 /nfs/dbraw/zinc/90/42/44/585904244.db2.gz JMCVKWQZGKQWBE-CQSZACIVSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1nc(F)ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000787270577 585904245 /nfs/dbraw/zinc/90/42/45/585904245.db2.gz JMCVKWQZGKQWBE-CQSZACIVSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1cc(C)c(C=[NH+][N-]c2[nH+]ccn2C)c(C)c1 ZINC000790299881 585962574 /nfs/dbraw/zinc/96/25/74/585962574.db2.gz JMKWXKQNOFDXET-UHFFFAOYSA-N 1 2 242.326 2.791 20 30 BFEDLO Cc1cc(C)c(C=NNc2[nH+]ccn2C)c(C)c1 ZINC000790299881 585962575 /nfs/dbraw/zinc/96/25/75/585962575.db2.gz JMKWXKQNOFDXET-UHFFFAOYSA-N 1 2 242.326 2.791 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1ccccc1Cl ZINC000790305644 585963266 /nfs/dbraw/zinc/96/32/66/585963266.db2.gz LSRDBWKZHAJMNP-UHFFFAOYSA-N 1 2 234.690 2.520 20 30 BFEDLO CCCCCCCCO[NH+]=C(N)[C@@H](C)OC ZINC000790504982 585965639 /nfs/dbraw/zinc/96/56/39/585965639.db2.gz ZPPGGFVLYZFWKO-LLVKDONJSA-N 1 2 230.352 2.880 20 30 BFEDLO C=CCCC/[NH+]=C/c1cccc(OC)c1O ZINC000790599121 585966740 /nfs/dbraw/zinc/96/67/40/585966740.db2.gz SQXACFGHRSZGGW-GXDHUFHOSA-N 1 2 219.284 2.786 20 30 BFEDLO C#CC[N@@H+](CC)Cc1c(O)ccc(Cl)c1F ZINC000792167349 585996871 /nfs/dbraw/zinc/99/68/71/585996871.db2.gz ONYUUNBLMVKDSM-UHFFFAOYSA-N 1 2 241.693 2.640 20 30 BFEDLO C#CC[N@H+](CC)Cc1c(O)ccc(Cl)c1F ZINC000792167349 585996872 /nfs/dbraw/zinc/99/68/72/585996872.db2.gz ONYUUNBLMVKDSM-UHFFFAOYSA-N 1 2 241.693 2.640 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2CC[C@H]2C)c1 ZINC000794675390 586046328 /nfs/dbraw/zinc/04/63/28/586046328.db2.gz AEQXENMQCYJDAV-IRRDXNDKSA-N 1 2 219.284 2.618 20 30 BFEDLO C[C@@H]1CCC[C@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000798343679 586142738 /nfs/dbraw/zinc/14/27/38/586142738.db2.gz NTCXQEPHLGRNBK-RBMASBHUSA-N 1 2 249.310 2.659 20 30 BFEDLO C#C[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC000798409356 586143464 /nfs/dbraw/zinc/14/34/64/586143464.db2.gz NZQQAMIPYZZFCG-CYBMUJFWSA-N 1 2 243.354 2.734 20 30 BFEDLO C[NH+](C)c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000799722190 586194712 /nfs/dbraw/zinc/19/47/12/586194712.db2.gz KKYUBNHTZDORTG-DGCLKSJQSA-N 1 2 229.327 2.857 20 30 BFEDLO CN(C)c1ccc([NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000799722190 586194714 /nfs/dbraw/zinc/19/47/14/586194714.db2.gz KKYUBNHTZDORTG-DGCLKSJQSA-N 1 2 229.327 2.857 20 30 BFEDLO C=C[C@@H]([NH2+]CC1CCCCCCC1)C(=O)OC ZINC000799977314 586204405 /nfs/dbraw/zinc/20/44/05/586204405.db2.gz CKKISTAYNUQFQH-CYBMUJFWSA-N 1 2 239.359 2.664 20 30 BFEDLO Cc1cccc2c1C/C(=C/c1cn(C)c[nH+]1)C2=O ZINC000800792553 586229058 /nfs/dbraw/zinc/22/90/58/586229058.db2.gz BEEXHZZHDVCANM-WDZFZDKYSA-N 1 2 238.290 2.551 20 30 BFEDLO Cc1cc(C(=O)/C=C/c2cn(C)c[nH+]2)oc1C ZINC000800795598 586229126 /nfs/dbraw/zinc/22/91/26/586229126.db2.gz PRVUUHHFJLELJM-SNAWJCMRSA-N 1 2 230.267 2.526 20 30 BFEDLO C[C@H]1c2ccccc2C(=O)/C1=C\c1cn(C)c[nH+]1 ZINC000809156587 586500033 /nfs/dbraw/zinc/50/00/33/586500033.db2.gz MOLYRDSAYBLBSW-IXIHQHOXSA-N 1 2 238.290 2.804 20 30 BFEDLO Cc1ccc2[nH+]cc(C=NOC/C=C/Cl)n2c1 ZINC000811670882 586565329 /nfs/dbraw/zinc/56/53/29/586565329.db2.gz HJNLPSBZMIBEIU-MDIBBOIVSA-N 1 2 249.701 2.746 20 30 BFEDLO Cc1ccc2[nH+]cc(C=NOC/C=C\Cl)n2c1 ZINC000811670883 586565514 /nfs/dbraw/zinc/56/55/14/586565514.db2.gz HJNLPSBZMIBEIU-QHFDXLHDSA-N 1 2 249.701 2.746 20 30 BFEDLO CC(=[NH+]Nc1cccc(C)c1)c1csc(N)n1 ZINC000812375045 586574953 /nfs/dbraw/zinc/57/49/53/586574953.db2.gz SCIJNZWVPYYLPZ-UHFFFAOYSA-N 1 2 246.339 2.870 20 30 BFEDLO COc1cccc(/C=[NH+]/CCCCF)c1O ZINC000812444969 586577446 /nfs/dbraw/zinc/57/74/46/586577446.db2.gz PZQGOANLPZCWGZ-NTEUORMPSA-N 1 2 225.263 2.569 20 30 BFEDLO CCOc1ccc(O)c(/C=[NH+]\CCCCF)c1 ZINC000812444341 586577501 /nfs/dbraw/zinc/57/75/01/586577501.db2.gz DCWRGJFOHDGSBJ-GDNBJRDFSA-N 1 2 239.290 2.960 20 30 BFEDLO CC(=[NH+]Nc1cccc(F)c1)c1ccc(N)nc1 ZINC000814815401 586637100 /nfs/dbraw/zinc/63/71/00/586637100.db2.gz WRNONSPVQPIINX-UHFFFAOYSA-N 1 2 244.273 2.639 20 30 BFEDLO CCOc1ccc(NN=Cc2[nH+]c[nH]c2C)cc1 ZINC000814985095 586663785 /nfs/dbraw/zinc/66/37/85/586663785.db2.gz RHHONBNQLPKFHW-UHFFFAOYSA-N 1 2 244.298 2.563 20 30 BFEDLO CCCCNN=C1CCc2ccc[nH+]c2CC1 ZINC000817323949 586793893 /nfs/dbraw/zinc/79/38/93/586793893.db2.gz XXDVESYGWBFPLJ-UHFFFAOYSA-N 1 2 231.343 2.706 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NCC(C)C ZINC000820599253 587058350 /nfs/dbraw/zinc/05/83/50/587058350.db2.gz RLNKTXIEIBWSPV-UHFFFAOYSA-N 1 2 232.327 2.942 20 30 BFEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000821309324 587106238 /nfs/dbraw/zinc/10/62/38/587106238.db2.gz RKFWFZLMPBEDCU-RYUDHWBXSA-N 1 2 249.358 2.683 20 30 BFEDLO C=C[C@H](CC)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000822013368 587149303 /nfs/dbraw/zinc/14/93/03/587149303.db2.gz ZMZWFMMVQXLJBF-CYBMUJFWSA-N 1 2 246.354 2.917 20 30 BFEDLO CC(C)CN(CCC#N)Cc1c[nH+]cn1C(C)C ZINC000822438596 587168057 /nfs/dbraw/zinc/16/80/57/587168057.db2.gz KGRPBBCDGUUYAL-UHFFFAOYSA-N 1 2 248.374 2.836 20 30 BFEDLO N#CC[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000822597703 587176955 /nfs/dbraw/zinc/17/69/55/587176955.db2.gz CJDYQMRLRRXBAE-QMMMGPOBSA-N 1 2 233.142 2.558 20 30 BFEDLO N#CC[N@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000822597703 587176957 /nfs/dbraw/zinc/17/69/57/587176957.db2.gz CJDYQMRLRRXBAE-QMMMGPOBSA-N 1 2 233.142 2.558 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1csc(C)c1 ZINC000823458812 587223708 /nfs/dbraw/zinc/22/37/08/587223708.db2.gz HEHMXFQBOTUPDO-UHFFFAOYSA-N 1 2 217.337 2.515 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1csc(C)c1 ZINC000823458812 587223709 /nfs/dbraw/zinc/22/37/09/587223709.db2.gz HEHMXFQBOTUPDO-UHFFFAOYSA-N 1 2 217.337 2.515 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827641302 587394018 /nfs/dbraw/zinc/39/40/18/587394018.db2.gz MYDJDNZEULIYHM-BDAKNGLRSA-N 1 2 235.158 2.662 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827641302 587394019 /nfs/dbraw/zinc/39/40/19/587394019.db2.gz MYDJDNZEULIYHM-BDAKNGLRSA-N 1 2 235.158 2.662 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827641304 587393993 /nfs/dbraw/zinc/39/39/93/587393993.db2.gz MYDJDNZEULIYHM-IUCAKERBSA-N 1 2 235.158 2.662 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827641304 587393995 /nfs/dbraw/zinc/39/39/95/587393995.db2.gz MYDJDNZEULIYHM-IUCAKERBSA-N 1 2 235.158 2.662 20 30 BFEDLO C#C[C@@H](C)N(C)c1[nH+]ccc2c(OC)cccc21 ZINC000828037021 587416904 /nfs/dbraw/zinc/41/69/04/587416904.db2.gz RYNCAURMDRCGAE-LLVKDONJSA-N 1 2 240.306 2.701 20 30 BFEDLO C[C@H](C=[NH+]n1ccnn1)CC1CCCCC1 ZINC000835012363 587777892 /nfs/dbraw/zinc/77/78/92/587777892.db2.gz WYCNHYKNAXJMOP-NSHDSACASA-N 1 2 220.320 2.719 20 30 BFEDLO C=CCO[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000835016708 587778752 /nfs/dbraw/zinc/77/87/52/587778752.db2.gz YEUOTTUVMFYUJI-UHFFFAOYSA-N 1 2 234.299 2.806 20 30 BFEDLO COC1(CC/[NH+]=C\c2ccccc2O)CCC1 ZINC000840706442 587916825 /nfs/dbraw/zinc/91/68/25/587916825.db2.gz MHSAIHYJCKKLLQ-PTNGSMBKSA-N 1 2 233.311 2.770 20 30 BFEDLO CC(C)[C@@H]1C[C@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000840708875 587916836 /nfs/dbraw/zinc/91/68/36/587916836.db2.gz JKUQNKVJTOHINX-UKEOCHLASA-N 1 2 249.310 2.514 20 30 BFEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@H](C)F)c1 ZINC000840704933 587917139 /nfs/dbraw/zinc/91/71/39/587917139.db2.gz DDSWTNMHPHNYGX-CNOAHFENSA-N 1 2 239.290 2.958 20 30 BFEDLO Cc1occc1C[N@@H+](CCC#N)CC(C)C ZINC000840907731 587928847 /nfs/dbraw/zinc/92/88/47/587928847.db2.gz HRMRJXFQLJUDRU-UHFFFAOYSA-N 1 2 220.316 2.960 20 30 BFEDLO Cc1occc1C[N@H+](CCC#N)CC(C)C ZINC000840907731 587928848 /nfs/dbraw/zinc/92/88/48/587928848.db2.gz HRMRJXFQLJUDRU-UHFFFAOYSA-N 1 2 220.316 2.960 20 30 BFEDLO COCC1(CC/[NH+]=C\c2ccccc2O)CC1 ZINC000843266404 588096482 /nfs/dbraw/zinc/09/64/82/588096482.db2.gz LOMGKDACOQNJJU-GDNBJRDFSA-N 1 2 233.311 2.628 20 30 BFEDLO C=C(C)CON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000844618538 588208826 /nfs/dbraw/zinc/20/88/26/588208826.db2.gz USKIBVSPSDXUQI-UHFFFAOYSA-N 1 2 244.338 2.971 20 30 BFEDLO C=C[C@H](C)ON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000844625641 588211013 /nfs/dbraw/zinc/21/10/13/588211013.db2.gz NWUDXPZBUANLOU-ZDUSSCGKSA-N 1 2 244.338 2.969 20 30 BFEDLO C#CCCCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845506802 588231058 /nfs/dbraw/zinc/23/10/58/588231058.db2.gz IFNLCTXIYPITAF-CYBMUJFWSA-N 1 2 248.326 2.571 20 30 BFEDLO CC1(C#N)C[NH+](C[C@@H]2CCc3ccccc32)C1 ZINC000846882609 588295153 /nfs/dbraw/zinc/29/51/53/588295153.db2.gz MFAFHCXGUQCRPY-ZDUSSCGKSA-N 1 2 226.323 2.562 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000847021831 588302692 /nfs/dbraw/zinc/30/26/92/588302692.db2.gz BQMDLEPDSROOSR-GFCCVEGCSA-N 1 2 246.354 2.817 20 30 BFEDLO C#C[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000847021831 588302693 /nfs/dbraw/zinc/30/26/93/588302693.db2.gz BQMDLEPDSROOSR-GFCCVEGCSA-N 1 2 246.354 2.817 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000847022787 588303131 /nfs/dbraw/zinc/30/31/31/588303131.db2.gz XXVPKJUOQKVIMS-ZFZMKPAXSA-N 1 2 218.127 2.651 20 30 BFEDLO C#C[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000847022787 588303132 /nfs/dbraw/zinc/30/31/32/588303132.db2.gz XXVPKJUOQKVIMS-ZFZMKPAXSA-N 1 2 218.127 2.651 20 30 BFEDLO C#CCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000847042970 588304761 /nfs/dbraw/zinc/30/47/61/588304761.db2.gz ABBBBAXDOLKPEQ-UHFFFAOYSA-N 1 2 221.250 2.694 20 30 BFEDLO c1cn(CCCNN=C2CCC3(CC3)CC2)c[nH+]1 ZINC000848417245 588381480 /nfs/dbraw/zinc/38/14/80/588381480.db2.gz QZVKQGYJSAMEOJ-UHFFFAOYSA-N 1 2 246.358 2.573 20 30 BFEDLO CC1(C)CCCC(N=NCCCn2cc[nH+]c2)C1 ZINC000848417721 588382006 /nfs/dbraw/zinc/38/20/06/588382006.db2.gz DJFFCHDYRNAVEX-UHFFFAOYSA-N 1 2 248.374 2.819 20 30 BFEDLO C=CCCC(=NNCCCn1cc[nH+]c1)C1CC1 ZINC000848418496 588382177 /nfs/dbraw/zinc/38/21/77/588382177.db2.gz MVCNXULVNPTGJF-UHFFFAOYSA-N 1 2 246.358 2.595 20 30 BFEDLO C[C@@H]1CCC[C@@H](C=NNCCCn2cc[nH+]c2)C1 ZINC000848417627 588382258 /nfs/dbraw/zinc/38/22/58/588382258.db2.gz CGXARLPAXSLJJN-ZIAGYGMSSA-N 1 2 248.374 2.675 20 30 BFEDLO CC[C@@H]1CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848418079 588382342 /nfs/dbraw/zinc/38/23/42/588382342.db2.gz JIPREWCKYPTCSU-CYBMUJFWSA-N 1 2 248.374 2.819 20 30 BFEDLO CC(C)[C@H]1CCCC1N=NCCCn1cc[nH+]c1 ZINC000848418185 588382533 /nfs/dbraw/zinc/38/25/33/588382533.db2.gz JMIKIGBFPJIMSJ-CYBMUJFWSA-N 1 2 248.374 2.675 20 30 BFEDLO C#CC[C@H]([NH2+]Cc1coc(C)n1)c1ccccc1 ZINC000851900896 588641769 /nfs/dbraw/zinc/64/17/69/588641769.db2.gz IUFYCQWLQYPYJN-HNNXBMFYSA-N 1 2 240.306 2.837 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(CCC(C)C)no1 ZINC000852099403 588662823 /nfs/dbraw/zinc/66/28/23/588662823.db2.gz LKMVJZDZMBANOM-AWEZNQCLSA-N 1 2 249.358 2.550 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+]Cc1csc(Cl)n1 ZINC000852103840 588663914 /nfs/dbraw/zinc/66/39/14/588663914.db2.gz STMMPIPVFIXEOC-JTQLQIEISA-N 1 2 228.748 2.688 20 30 BFEDLO C=C(Cl)C[N@@H+](CC(=O)OC)C1CCCCC1 ZINC000852414896 588681573 /nfs/dbraw/zinc/68/15/73/588681573.db2.gz WHBJPXJOXVGRBR-UHFFFAOYSA-N 1 2 245.750 2.547 20 30 BFEDLO C=C(Cl)C[N@H+](CC(=O)OC)C1CCCCC1 ZINC000852414896 588681574 /nfs/dbraw/zinc/68/15/74/588681574.db2.gz WHBJPXJOXVGRBR-UHFFFAOYSA-N 1 2 245.750 2.547 20 30 BFEDLO C[C@@H](C#N)[N@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000852481180 588682654 /nfs/dbraw/zinc/68/26/54/588682654.db2.gz IGKGJICOCTUGTK-IUCAKERBSA-N 1 2 247.169 2.947 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000852481180 588682655 /nfs/dbraw/zinc/68/26/55/588682655.db2.gz IGKGJICOCTUGTK-IUCAKERBSA-N 1 2 247.169 2.947 20 30 BFEDLO C[C@@H](C#N)[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000852481179 588684396 /nfs/dbraw/zinc/68/43/96/588684396.db2.gz IGKGJICOCTUGTK-DTWKUNHWSA-N 1 2 247.169 2.947 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000852481179 588684397 /nfs/dbraw/zinc/68/43/97/588684397.db2.gz IGKGJICOCTUGTK-DTWKUNHWSA-N 1 2 247.169 2.947 20 30 BFEDLO CCCCCCCNC(=O)Nc1cc[nH+]cc1C ZINC000860849570 589124256 /nfs/dbraw/zinc/12/42/56/589124256.db2.gz WNBBPSNNSLKMEV-UHFFFAOYSA-N 1 2 249.358 2.904 20 30 BFEDLO Cc1c(F)nccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000862251250 589197453 /nfs/dbraw/zinc/19/74/53/589197453.db2.gz YSNYTMVOIOEFNI-SNVBAGLBSA-N 1 2 247.317 2.653 20 30 BFEDLO Cc1c(F)nccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000862251250 589197454 /nfs/dbraw/zinc/19/74/54/589197454.db2.gz YSNYTMVOIOEFNI-SNVBAGLBSA-N 1 2 247.317 2.653 20 30 BFEDLO C#CC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000862445592 589214851 /nfs/dbraw/zinc/21/48/51/589214851.db2.gz XRKPXGVJMSCFAZ-LLVKDONJSA-N 1 2 249.741 2.891 20 30 BFEDLO C#CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000862445592 589214853 /nfs/dbraw/zinc/21/48/53/589214853.db2.gz XRKPXGVJMSCFAZ-LLVKDONJSA-N 1 2 249.741 2.891 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CC[C@H]1CCSC1 ZINC000864347625 589354371 /nfs/dbraw/zinc/35/43/71/589354371.db2.gz UZWZJDCPDCXVBS-HOXUKUGESA-N 1 2 235.352 2.954 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC[C@H]1CCSC1 ZINC000864347626 589354410 /nfs/dbraw/zinc/35/44/10/589354410.db2.gz UZWZJDCPDCXVBS-LUHPIMIVSA-N 1 2 235.352 2.954 20 30 BFEDLO CC(C)(C)c1cn(Cc2nc(C#N)cs2)c[nH+]1 ZINC000865376290 589428572 /nfs/dbraw/zinc/42/85/72/589428572.db2.gz HSDLVUGZAYPGTA-UHFFFAOYSA-N 1 2 246.339 2.557 20 30 BFEDLO CC(C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866213016 589480959 /nfs/dbraw/zinc/48/09/59/589480959.db2.gz PVVNLUORCSHUPE-JTQLQIEISA-N 1 2 218.300 2.570 20 30 BFEDLO C[C@H]([NH2+]C1CC=CC1)c1cccc(C#N)c1O ZINC000866285554 589484309 /nfs/dbraw/zinc/48/43/09/589484309.db2.gz NFTMMDCTFCBHLX-JTQLQIEISA-N 1 2 228.295 2.633 20 30 BFEDLO C[C@H]([NH2+]CCC1CC1)c1cccc(C#N)c1O ZINC000866303783 589485137 /nfs/dbraw/zinc/48/51/37/589485137.db2.gz PZAAABUOBWNYRY-JTQLQIEISA-N 1 2 230.311 2.715 20 30 BFEDLO C[C@H]([NH2+][C@H]1CC1(C)C)c1cccc(C#N)c1O ZINC000866371951 589488471 /nfs/dbraw/zinc/48/84/71/589488471.db2.gz COBZHROXVJGOAH-CABZTGNLSA-N 1 2 230.311 2.713 20 30 BFEDLO CN(C)c1ccc([NH2+][C@H]2CC[C@H](C#N)C2)cc1F ZINC000866626398 589505828 /nfs/dbraw/zinc/50/58/28/589505828.db2.gz UBRIDQUBAWUABI-QWRGUYRKSA-N 1 2 247.317 2.996 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872046307 589860293 /nfs/dbraw/zinc/86/02/93/589860293.db2.gz WIFADTAFWURZLR-QMMMGPOBSA-N 1 2 229.682 2.934 20 30 BFEDLO C[C@@H]([NH2+]CCC#N)c1nc2ccccc2s1 ZINC000020199876 590084050 /nfs/dbraw/zinc/08/40/50/590084050.db2.gz LYMCUXVUSJMGNB-SECBINFHSA-N 1 2 231.324 2.861 20 30 BFEDLO CC[N@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876575709 590217463 /nfs/dbraw/zinc/21/74/63/590217463.db2.gz PQVGMAKJTIBTRY-UHFFFAOYSA-N 1 2 235.718 2.591 20 30 BFEDLO CC[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876575709 590217464 /nfs/dbraw/zinc/21/74/64/590217464.db2.gz PQVGMAKJTIBTRY-UHFFFAOYSA-N 1 2 235.718 2.591 20 30 BFEDLO C=C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876694048 590231197 /nfs/dbraw/zinc/23/11/97/590231197.db2.gz CXPXLQBZRJINBH-UHFFFAOYSA-N 1 2 239.265 2.822 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000877323503 590317446 /nfs/dbraw/zinc/31/74/46/590317446.db2.gz QEGPFLVQNDLEOE-UHFFFAOYSA-N 1 2 241.697 2.513 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C)cc1O ZINC000877545915 590352856 /nfs/dbraw/zinc/35/28/56/590352856.db2.gz NOVMAEBSMBSYFQ-UHFFFAOYSA-N 1 2 230.311 2.602 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc(C)cc1O ZINC000877545915 590352859 /nfs/dbraw/zinc/35/28/59/590352859.db2.gz NOVMAEBSMBSYFQ-UHFFFAOYSA-N 1 2 230.311 2.602 20 30 BFEDLO Cc1ccc(C[NH+]2CCC(C#N)CC2)nc1Cl ZINC000878016721 590473181 /nfs/dbraw/zinc/47/31/81/590473181.db2.gz SSRYVGWYVWTPMY-UHFFFAOYSA-N 1 2 249.745 2.779 20 30 BFEDLO N#CC[N@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC000878032794 590476441 /nfs/dbraw/zinc/47/64/41/590476441.db2.gz OOLSLGXWXALUAT-JTQLQIEISA-N 1 2 228.286 2.800 20 30 BFEDLO N#CC[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC000878032794 590476439 /nfs/dbraw/zinc/47/64/39/590476439.db2.gz OOLSLGXWXALUAT-JTQLQIEISA-N 1 2 228.286 2.800 20 30 BFEDLO N#CC[N@H+](C[C@@H]1CC2(CCC2)CO1)C1CCCC1 ZINC000878121928 590499326 /nfs/dbraw/zinc/49/93/26/590499326.db2.gz XAOBURMADWAJGF-AWEZNQCLSA-N 1 2 248.370 2.714 20 30 BFEDLO N#CC[N@@H+](C[C@@H]1CC2(CCC2)CO1)C1CCCC1 ZINC000878121928 590499328 /nfs/dbraw/zinc/49/93/28/590499328.db2.gz XAOBURMADWAJGF-AWEZNQCLSA-N 1 2 248.370 2.714 20 30 BFEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000878157709 590509156 /nfs/dbraw/zinc/50/91/56/590509156.db2.gz KPLLWPLWPOBBLX-FZMZJTMJSA-N 1 2 245.322 2.681 20 30 BFEDLO C=CC[C@@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000878157709 590509158 /nfs/dbraw/zinc/50/91/58/590509158.db2.gz KPLLWPLWPOBBLX-FZMZJTMJSA-N 1 2 245.322 2.681 20 30 BFEDLO C=CC[C@H]([NH2+][C@H](CC)c1ccccc1)C(=O)OC ZINC000878348089 590552690 /nfs/dbraw/zinc/55/26/90/590552690.db2.gz DWFAODYOFWDSMX-KGLIPLIRSA-N 1 2 247.338 2.845 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)nc1Cl ZINC000878820867 590627679 /nfs/dbraw/zinc/62/76/79/590627679.db2.gz ONQZYCGHXVSKQL-SSDOTTSWSA-N 1 2 244.125 2.780 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)co1 ZINC000878821126 590627966 /nfs/dbraw/zinc/62/79/66/590627966.db2.gz SGOPPTLTVDJFGD-SSDOTTSWSA-N 1 2 232.205 2.690 20 30 BFEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000879372711 590754913 /nfs/dbraw/zinc/75/49/13/590754913.db2.gz TUOFCAVIXOJDRU-NSHDSACASA-N 1 2 247.342 2.676 20 30 BFEDLO C[C@]1(c2ccccc2)CCC[N@@H+]1CC#N ZINC000880372634 591014035 /nfs/dbraw/zinc/01/40/35/591014035.db2.gz ZDPYZKRQMJRBMW-CYBMUJFWSA-N 1 2 200.285 2.521 20 30 BFEDLO C[C@]1(c2ccccc2)CCC[N@H+]1CC#N ZINC000880372634 591014040 /nfs/dbraw/zinc/01/40/40/591014040.db2.gz ZDPYZKRQMJRBMW-CYBMUJFWSA-N 1 2 200.285 2.521 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCCS1 ZINC000129346647 591282518 /nfs/dbraw/zinc/28/25/18/591282518.db2.gz VNYWLDUWWPHIAW-ZWSXMNCCSA-N 1 2 221.325 2.707 20 30 BFEDLO C#C[C@H]1CC[C@H](Nc2nc[nH+]c(C)c2C)CC1 ZINC000882720899 591421739 /nfs/dbraw/zinc/42/17/39/591421739.db2.gz OGPNZZWTYDPBBE-JOCQHMNTSA-N 1 2 229.327 2.697 20 30 BFEDLO C=C(C)C[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000883005941 591506903 /nfs/dbraw/zinc/50/69/03/591506903.db2.gz DHSOCUAUNZAPGO-NSHDSACASA-N 1 2 249.358 2.513 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1nc2ccccc2n1CC ZINC000130933975 591537628 /nfs/dbraw/zinc/53/76/28/591537628.db2.gz PPBOHDKQVMPKLV-UHFFFAOYSA-N 1 2 249.745 2.898 20 30 BFEDLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cccc(C#N)c1O ZINC000883400144 591647631 /nfs/dbraw/zinc/64/76/31/591647631.db2.gz FUWXZGMHCHYPIR-HTQZYQBOSA-N 1 2 240.253 2.568 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc(C#N)c1O ZINC000883400146 591647981 /nfs/dbraw/zinc/64/79/81/591647981.db2.gz FUWXZGMHCHYPIR-SFYZADRCSA-N 1 2 240.253 2.568 20 30 BFEDLO C[C@@H](C#N)[N@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000886278849 592197393 /nfs/dbraw/zinc/19/73/93/592197393.db2.gz KISOLCUHDNPAFH-SUHUHFCYSA-N 1 2 218.344 2.799 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000886278849 592197396 /nfs/dbraw/zinc/19/73/96/592197396.db2.gz KISOLCUHDNPAFH-SUHUHFCYSA-N 1 2 218.344 2.799 20 30 BFEDLO C=C1CCC(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000889792598 592653330 /nfs/dbraw/zinc/65/33/30/592653330.db2.gz FQIOEZGYIRDMEP-UHFFFAOYSA-N 1 2 244.338 2.805 20 30 BFEDLO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001255661755 987051752 /nfs/dbraw/zinc/05/17/52/987051752.db2.gz CUHXRMIOQGDDPZ-RKDXNWHRSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@H](CC(F)(F)F)[N@H+]1CC[C@](C)(C#N)C1 ZINC001255661755 987051763 /nfs/dbraw/zinc/05/17/63/987051763.db2.gz CUHXRMIOQGDDPZ-RKDXNWHRSA-N 1 2 220.238 2.563 20 30 BFEDLO Cc1cncc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000227301886 635449187 /nfs/dbraw/zinc/44/91/87/635449187.db2.gz SJCGRVPZFPRMOR-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO Cc1cncc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000227301886 635449193 /nfs/dbraw/zinc/44/91/93/635449193.db2.gz SJCGRVPZFPRMOR-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)c(C)nn1C ZINC000891457712 631366276 /nfs/dbraw/zinc/36/62/76/631366276.db2.gz WNWJMHALSTWMQS-UHFFFAOYSA-N 1 2 241.766 2.780 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)c(C)nn1C ZINC000891457712 631366282 /nfs/dbraw/zinc/36/62/82/631366282.db2.gz WNWJMHALSTWMQS-UHFFFAOYSA-N 1 2 241.766 2.780 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(C(C)C)no1 ZINC000934471608 631863989 /nfs/dbraw/zinc/86/39/89/631863989.db2.gz VQSROEMGFUGHOD-GHMZBOCLSA-N 1 2 235.331 2.904 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(C(C)C)no1 ZINC000934471608 631863992 /nfs/dbraw/zinc/86/39/92/631863992.db2.gz VQSROEMGFUGHOD-GHMZBOCLSA-N 1 2 235.331 2.904 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(C(C)C)no1 ZINC000934471609 631864967 /nfs/dbraw/zinc/86/49/67/631864967.db2.gz VQSROEMGFUGHOD-MNOVXSKESA-N 1 2 235.331 2.904 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(C(C)C)no1 ZINC000934471609 631864972 /nfs/dbraw/zinc/86/49/72/631864972.db2.gz VQSROEMGFUGHOD-MNOVXSKESA-N 1 2 235.331 2.904 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000934509694 631889943 /nfs/dbraw/zinc/88/99/43/631889943.db2.gz PUOHWDREHIJYEZ-LBPRGKRZSA-N 1 2 239.322 2.551 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000934509694 631889949 /nfs/dbraw/zinc/88/99/49/631889949.db2.gz PUOHWDREHIJYEZ-LBPRGKRZSA-N 1 2 239.322 2.551 20 30 BFEDLO CC(C)C[N@@H+](CC#Cc1ccccc1)CCC#N ZINC000051814466 631936610 /nfs/dbraw/zinc/93/66/10/631936610.db2.gz YUZFMMQCOAVHFW-UHFFFAOYSA-N 1 2 240.350 2.910 20 30 BFEDLO CC(C)C[N@H+](CC#Cc1ccccc1)CCC#N ZINC000051814466 631936617 /nfs/dbraw/zinc/93/66/17/631936617.db2.gz YUZFMMQCOAVHFW-UHFFFAOYSA-N 1 2 240.350 2.910 20 30 BFEDLO C=CCCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000287235168 632643486 /nfs/dbraw/zinc/64/34/86/632643486.db2.gz WOSJBDVXIDTHEK-UHFFFAOYSA-N 1 2 249.358 2.595 20 30 BFEDLO C=CCCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000287235168 632643492 /nfs/dbraw/zinc/64/34/92/632643492.db2.gz WOSJBDVXIDTHEK-UHFFFAOYSA-N 1 2 249.358 2.595 20 30 BFEDLO COc1ccc(Cl)cc1C[NH2+]C[C@@H](C)C#N ZINC000054181661 636047290 /nfs/dbraw/zinc/04/72/90/636047290.db2.gz RQAWMLIIIJBCKI-VIFPVBQESA-N 1 2 238.718 2.598 20 30 BFEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccncc1 ZINC000182240978 633940627 /nfs/dbraw/zinc/94/06/27/633940627.db2.gz CSFAFOMVMLNTKG-SNAWJCMRSA-N 1 2 249.273 2.625 20 30 BFEDLO C#C[C@H](CCC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907708152 638452290 /nfs/dbraw/zinc/45/22/90/638452290.db2.gz WIPVHRTVTWLSAW-CYBMUJFWSA-N 1 2 244.338 2.539 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCc1cccc(F)c1 ZINC000930540836 639808162 /nfs/dbraw/zinc/80/81/62/639808162.db2.gz JEZBYXMYJMGGDG-UHFFFAOYSA-N 1 2 232.302 2.770 20 30 BFEDLO C=CC[N@H+](CCC#N)CCc1cccc(F)c1 ZINC000930540836 639808166 /nfs/dbraw/zinc/80/81/66/639808166.db2.gz JEZBYXMYJMGGDG-UHFFFAOYSA-N 1 2 232.302 2.770 20 30 BFEDLO C#CC1CC[NH+](Cc2nc(C(C)C)ns2)CC1 ZINC000930821722 639920677 /nfs/dbraw/zinc/92/06/77/639920677.db2.gz OERORXWNBTYQIL-UHFFFAOYSA-N 1 2 249.383 2.507 20 30 BFEDLO C[C@@H](C#N)[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC1 ZINC000930973322 640007244 /nfs/dbraw/zinc/00/72/44/640007244.db2.gz HZOKZOYAUOYNDE-XPXLGCRWSA-N 1 2 240.297 2.654 20 30 BFEDLO C[C@@H](C#N)[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC1 ZINC000930973322 640007250 /nfs/dbraw/zinc/00/72/50/640007250.db2.gz HZOKZOYAUOYNDE-XPXLGCRWSA-N 1 2 240.297 2.654 20 30 BFEDLO Cc1cc(C)nc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000931477628 640230956 /nfs/dbraw/zinc/23/09/56/640230956.db2.gz YTEQJMKEWJJOMQ-ZFWWWQNUSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1cc(C)nc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000931477628 640230973 /nfs/dbraw/zinc/23/09/73/640230973.db2.gz YTEQJMKEWJJOMQ-ZFWWWQNUSA-N 1 2 243.354 2.823 20 30 BFEDLO COCc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932150076 640440796 /nfs/dbraw/zinc/44/07/96/640440796.db2.gz DYAJBTSDOUVCPB-HNNXBMFYSA-N 1 2 244.338 2.569 20 30 BFEDLO COCc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932150076 640440801 /nfs/dbraw/zinc/44/08/01/640440801.db2.gz DYAJBTSDOUVCPB-HNNXBMFYSA-N 1 2 244.338 2.569 20 30 BFEDLO C=C(CC)C[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000439271247 640482039 /nfs/dbraw/zinc/48/20/39/640482039.db2.gz JAVGKIPNVCZDMT-GFCCVEGCSA-N 1 2 248.374 2.744 20 30 BFEDLO C=C(CC)C[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000439271247 640482053 /nfs/dbraw/zinc/48/20/53/640482053.db2.gz JAVGKIPNVCZDMT-GFCCVEGCSA-N 1 2 248.374 2.744 20 30 BFEDLO C#CC[N@@H+](Cc1csc(CCC)n1)C(C)C ZINC000932394868 640518780 /nfs/dbraw/zinc/51/87/80/640518780.db2.gz SFADVNLSGLFFKL-UHFFFAOYSA-N 1 2 236.384 2.939 20 30 BFEDLO C#CC[N@H+](Cc1csc(CCC)n1)C(C)C ZINC000932394868 640518785 /nfs/dbraw/zinc/51/87/85/640518785.db2.gz SFADVNLSGLFFKL-UHFFFAOYSA-N 1 2 236.384 2.939 20 30 BFEDLO C#CC[N@H+](Cc1nccn1C(F)F)C(C)(C)C ZINC000932465667 640537832 /nfs/dbraw/zinc/53/78/32/640537832.db2.gz LCLOZTSDLBYYDT-UHFFFAOYSA-N 1 2 241.285 2.512 20 30 BFEDLO C#CC[N@@H+](Cc1nccn1C(F)F)C(C)(C)C ZINC000932465667 640537833 /nfs/dbraw/zinc/53/78/33/640537833.db2.gz LCLOZTSDLBYYDT-UHFFFAOYSA-N 1 2 241.285 2.512 20 30 BFEDLO C=CC[C@@H](C)[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000932511714 640560682 /nfs/dbraw/zinc/56/06/82/640560682.db2.gz UBWNJPYLRYRILB-VXGBXAGGSA-N 1 2 248.374 2.743 20 30 BFEDLO C=CC[C@@H](C)[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000932511714 640560684 /nfs/dbraw/zinc/56/06/84/640560684.db2.gz UBWNJPYLRYRILB-VXGBXAGGSA-N 1 2 248.374 2.743 20 30 BFEDLO C#C[C@@H](CC)[NH2+]Cc1occc1Br ZINC000229896948 640992684 /nfs/dbraw/zinc/99/26/84/640992684.db2.gz ZECPCHUAOGXQES-QMMMGPOBSA-N 1 2 242.116 2.544 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(C2CC2)no1 ZINC000934471213 641165423 /nfs/dbraw/zinc/16/54/23/641165423.db2.gz SVLCXQOTVXDYSW-KOLCDFICSA-N 1 2 233.315 2.658 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(C2CC2)no1 ZINC000934471213 641165428 /nfs/dbraw/zinc/16/54/28/641165428.db2.gz SVLCXQOTVXDYSW-KOLCDFICSA-N 1 2 233.315 2.658 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(CCCC)no1 ZINC000934473001 641167349 /nfs/dbraw/zinc/16/73/49/641167349.db2.gz WABFRVRVQKDJJW-NSHDSACASA-N 1 2 235.331 2.563 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(CCCC)no1 ZINC000934473001 641167364 /nfs/dbraw/zinc/16/73/64/641167364.db2.gz WABFRVRVQKDJJW-NSHDSACASA-N 1 2 235.331 2.563 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000934511423 641177693 /nfs/dbraw/zinc/17/76/93/641177693.db2.gz NHHHHSCIURKAGZ-LBPRGKRZSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000934511423 641177701 /nfs/dbraw/zinc/17/77/01/641177701.db2.gz NHHHHSCIURKAGZ-LBPRGKRZSA-N 1 2 234.730 2.723 20 30 BFEDLO CCCNN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915965309 641893371 /nfs/dbraw/zinc/89/33/71/641893371.db2.gz FUGYPJYEARECTD-UHFFFAOYSA-N 1 2 242.326 2.596 20 30 BFEDLO C=CC[N@H+](Cc1nnc(C(C)(C)C)o1)C(C)C ZINC000917070502 642002361 /nfs/dbraw/zinc/00/23/61/642002361.db2.gz CPVXFRSAYLKTLZ-UHFFFAOYSA-N 1 2 237.347 2.764 20 30 BFEDLO C=CC[N@@H+](Cc1nnc(C(C)(C)C)o1)C(C)C ZINC000917070502 642002367 /nfs/dbraw/zinc/00/23/67/642002367.db2.gz CPVXFRSAYLKTLZ-UHFFFAOYSA-N 1 2 237.347 2.764 20 30 BFEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccco1 ZINC000255263536 642316844 /nfs/dbraw/zinc/31/68/44/642316844.db2.gz HUPLCGVEEXZUNG-SREVYHEPSA-N 1 2 238.246 2.823 20 30 BFEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CC=CCC2)c1O ZINC000920991353 642566722 /nfs/dbraw/zinc/56/67/22/642566722.db2.gz RSFRIGIEKDJZSA-HGLKBHAMSA-N 1 2 231.295 2.873 20 30 BFEDLO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000097849355 643198926 /nfs/dbraw/zinc/19/89/26/643198926.db2.gz QJQGYUIOWHXBID-LBPRGKRZSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000097849355 643198932 /nfs/dbraw/zinc/19/89/32/643198932.db2.gz QJQGYUIOWHXBID-LBPRGKRZSA-N 1 2 232.302 2.870 20 30 BFEDLO CC(C)(C)c1coc(C[NH2+]CC2(CC#N)CC2)n1 ZINC000922084770 643860416 /nfs/dbraw/zinc/86/04/16/643860416.db2.gz MONFKTCJHABZRX-UHFFFAOYSA-N 1 2 247.342 2.756 20 30 BFEDLO Cc1cccc(C[N@@H+](CCC#N)CC(C)C)n1 ZINC000084461825 644425837 /nfs/dbraw/zinc/42/58/37/644425837.db2.gz PYRYJFRRUURUNC-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO Cc1cccc(C[N@H+](CCC#N)CC(C)C)n1 ZINC000084461825 644425840 /nfs/dbraw/zinc/42/58/40/644425840.db2.gz PYRYJFRRUURUNC-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO CC[N@@H+](Cc1cc(C)oc1C)C[C@H](C)C#N ZINC000091983622 644644402 /nfs/dbraw/zinc/64/44/02/644644402.db2.gz LDSDUUMVVYGQLY-SNVBAGLBSA-N 1 2 220.316 2.878 20 30 BFEDLO CC[N@H+](Cc1cc(C)oc1C)C[C@H](C)C#N ZINC000091983622 644644407 /nfs/dbraw/zinc/64/44/07/644644407.db2.gz LDSDUUMVVYGQLY-SNVBAGLBSA-N 1 2 220.316 2.878 20 30 BFEDLO C[C@@H]1CC[C@@H](/[NH+]=C\c2ccccc2O)C1 ZINC000780149350 644724697 /nfs/dbraw/zinc/72/46/97/644724697.db2.gz MTXITTBLIBYVSG-JLYGRIHLSA-N 1 2 203.285 3.000 20 30 BFEDLO COCc1cc[nH+]c(N[C@@H](C)CC(C)(C)C#N)c1 ZINC000926662451 645343164 /nfs/dbraw/zinc/34/31/64/645343164.db2.gz RDNQKWYKYFVTFA-NSHDSACASA-N 1 2 247.342 2.968 20 30 BFEDLO C#C[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000847027482 645419801 /nfs/dbraw/zinc/41/98/01/645419801.db2.gz TVTUPZKMHWXXRB-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO C#C[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000847027482 645419804 /nfs/dbraw/zinc/41/98/04/645419804.db2.gz TVTUPZKMHWXXRB-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CC[C@@H]1CCSC1 ZINC000864347627 645713061 /nfs/dbraw/zinc/71/30/61/645713061.db2.gz UZWZJDCPDCXVBS-RLIURORJSA-N 1 2 235.352 2.954 20 30 BFEDLO C[N@H+](C[C@@H]1CC1(Cl)Cl)[C@H]1CCC[C@H]1C#N ZINC000879307948 712632938 /nfs/dbraw/zinc/63/29/38/712632938.db2.gz GMHAKAQCDRNIED-GUBZILKMSA-N 1 2 247.169 2.804 20 30 BFEDLO C[N@@H+](C[C@@H]1CC1(Cl)Cl)[C@H]1CCC[C@H]1C#N ZINC000879307948 712632939 /nfs/dbraw/zinc/63/29/39/712632939.db2.gz GMHAKAQCDRNIED-GUBZILKMSA-N 1 2 247.169 2.804 20 30 BFEDLO CC(=[NH+]OC1CCCCC1)c1csc(N)n1 ZINC000381638267 710665517 /nfs/dbraw/zinc/66/55/17/710665517.db2.gz OVJGJKAXGMWQDA-UHFFFAOYSA-N 1 2 239.344 2.629 20 30 BFEDLO CC[C@H]([NH2+]CC1(C#N)CCCC1)c1nccn1C ZINC000903109428 710892910 /nfs/dbraw/zinc/89/29/10/710892910.db2.gz PCKNRBPUBKHRHT-LBPRGKRZSA-N 1 2 246.358 2.545 20 30 BFEDLO CC[C@@H]([NH2+]CC1(C#N)CCCC1)c1nccn1C ZINC000903109427 710893054 /nfs/dbraw/zinc/89/30/54/710893054.db2.gz PCKNRBPUBKHRHT-GFCCVEGCSA-N 1 2 246.358 2.545 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)C(C)(C)C ZINC000702244928 712041899 /nfs/dbraw/zinc/04/18/99/712041899.db2.gz JBWHOQTWOORWBH-CQSZACIVSA-N 1 2 241.338 2.700 20 30 BFEDLO CC(C)(C)OC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000707332139 712167919 /nfs/dbraw/zinc/16/79/19/712167919.db2.gz LFWGTHQGXHUFMS-UHFFFAOYSA-N 1 2 244.338 2.558 20 30 BFEDLO CSCCO[NH+]=C(C)c1cc(N)ccc1F ZINC000378783899 712361290 /nfs/dbraw/zinc/36/12/90/712361290.db2.gz ISFLTLJSIXPCOO-UHFFFAOYSA-N 1 2 242.319 2.512 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1F ZINC000036679759 712478017 /nfs/dbraw/zinc/47/80/17/712478017.db2.gz LTJQSGXEMXXCOT-NSHDSACASA-N 1 2 206.264 2.608 20 30 BFEDLO C#C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000848923685 712610239 /nfs/dbraw/zinc/61/02/39/712610239.db2.gz IIQWXXSZQRVDJT-NSHDSACASA-N 1 2 249.741 2.891 20 30 BFEDLO C#C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000848923685 712610240 /nfs/dbraw/zinc/61/02/40/712610240.db2.gz IIQWXXSZQRVDJT-NSHDSACASA-N 1 2 249.741 2.891 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000932154780 712716165 /nfs/dbraw/zinc/71/61/65/712716165.db2.gz MWYWTYDKFZCGNP-UWVGGRQHSA-N 1 2 247.169 2.806 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000932154780 712716167 /nfs/dbraw/zinc/71/61/67/712716167.db2.gz MWYWTYDKFZCGNP-UWVGGRQHSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720824361 712867571 /nfs/dbraw/zinc/86/75/71/712867571.db2.gz RZUFJAKXLIOUEC-NEPJUHHUSA-N 1 2 244.338 2.601 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720824361 712867572 /nfs/dbraw/zinc/86/75/72/712867572.db2.gz RZUFJAKXLIOUEC-NEPJUHHUSA-N 1 2 244.338 2.601 20 30 BFEDLO C=C(C)C[C@H](Oc1cc(N)cc[nH+]1)C(=C)C ZINC001218435718 960110092 /nfs/dbraw/zinc/11/00/92/960110092.db2.gz CNMBVOBKHVGRIK-LBPRGKRZSA-N 1 2 218.300 2.954 20 30 BFEDLO CCCCCCC[N@H+](C)Cc1csnn1 ZINC001140996233 960789061 /nfs/dbraw/zinc/78/90/61/960789061.db2.gz VWROVSQMPRYIAP-UHFFFAOYSA-N 1 2 227.377 2.940 20 30 BFEDLO CCCCCCC[N@@H+](C)Cc1csnn1 ZINC001140996233 960789076 /nfs/dbraw/zinc/78/90/76/960789076.db2.gz VWROVSQMPRYIAP-UHFFFAOYSA-N 1 2 227.377 2.940 20 30 BFEDLO C#CCCCCC[N@H+]1CCC(F)(F)C1 ZINC000686684512 960788267 /nfs/dbraw/zinc/78/82/67/960788267.db2.gz UMLUMUOVYXSSJF-UHFFFAOYSA-N 1 2 201.260 2.521 20 30 BFEDLO C#CCCCCC[N@@H+]1CCC(F)(F)C1 ZINC000686684512 960788284 /nfs/dbraw/zinc/78/82/84/960788284.db2.gz UMLUMUOVYXSSJF-UHFFFAOYSA-N 1 2 201.260 2.521 20 30 BFEDLO COc1cc(C)c(C[N@H+](C)CCC#N)c(C)c1 ZINC001142929399 961830685 /nfs/dbraw/zinc/83/06/85/961830685.db2.gz DJKXGKQAIPEYLG-UHFFFAOYSA-N 1 2 232.327 2.658 20 30 BFEDLO COc1cc(C)c(C[N@@H+](C)CCC#N)c(C)c1 ZINC001142929399 961830690 /nfs/dbraw/zinc/83/06/90/961830690.db2.gz DJKXGKQAIPEYLG-UHFFFAOYSA-N 1 2 232.327 2.658 20 30 BFEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167919349 961926719 /nfs/dbraw/zinc/92/67/19/961926719.db2.gz YXUXZZPOKYXPBY-RNJOBUHISA-N 1 2 206.333 2.703 20 30 BFEDLO CCOc1ccc[nH+]c1NCC(C)(C)S ZINC001159269670 964046953 /nfs/dbraw/zinc/04/69/53/964046953.db2.gz OWQDDELRNMYUDC-UHFFFAOYSA-N 1 2 226.345 2.601 20 30 BFEDLO C[N@H+](Cc1ccccc1C#N)C1CC(F)(F)C1 ZINC001204366271 966981260 /nfs/dbraw/zinc/98/12/60/966981260.db2.gz BVGOVFCUPZWOQG-UHFFFAOYSA-N 1 2 236.265 2.788 20 30 BFEDLO C[N@@H+](Cc1ccccc1C#N)C1CC(F)(F)C1 ZINC001204366271 966981268 /nfs/dbraw/zinc/98/12/68/966981268.db2.gz BVGOVFCUPZWOQG-UHFFFAOYSA-N 1 2 236.265 2.788 20 30 BFEDLO CCCC[N@H+](CC#N)C[C@@H]1CCOC(C)(C)C1 ZINC001207362819 968740366 /nfs/dbraw/zinc/74/03/66/968740366.db2.gz LECCZFJQPBZYLN-CYBMUJFWSA-N 1 2 238.375 2.817 20 30 BFEDLO CCCC[N@@H+](CC#N)C[C@@H]1CCOC(C)(C)C1 ZINC001207362819 968740371 /nfs/dbraw/zinc/74/03/71/968740371.db2.gz LECCZFJQPBZYLN-CYBMUJFWSA-N 1 2 238.375 2.817 20 30 BFEDLO C=CCCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209201211 969390923 /nfs/dbraw/zinc/39/09/23/969390923.db2.gz WVGVZXXIMKANDD-LBPRGKRZSA-N 1 2 237.368 2.617 20 30 BFEDLO C=CCCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209201211 969390929 /nfs/dbraw/zinc/39/09/29/969390929.db2.gz WVGVZXXIMKANDD-LBPRGKRZSA-N 1 2 237.368 2.617 20 30 BFEDLO C=CCCCCC[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001209423099 969493716 /nfs/dbraw/zinc/49/37/16/969493716.db2.gz FWRJBHVFYBUBMJ-GHMZBOCLSA-N 1 2 203.276 2.725 20 30 BFEDLO C[C@@H](C#N)[N@H+](C)C1CCC(C(F)(F)F)CC1 ZINC001255522069 970283564 /nfs/dbraw/zinc/28/35/64/970283564.db2.gz MEBNBDGZQRWWOM-IDKOKCKLSA-N 1 2 234.265 2.951 20 30 BFEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(C(F)(F)F)CC1 ZINC001255522069 970283587 /nfs/dbraw/zinc/28/35/87/970283587.db2.gz MEBNBDGZQRWWOM-IDKOKCKLSA-N 1 2 234.265 2.951 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255535752 970303074 /nfs/dbraw/zinc/30/30/74/970303074.db2.gz GIBCKSNVLRCIHX-LLVKDONJSA-N 1 2 224.348 2.616 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC001170189965 970559407 /nfs/dbraw/zinc/55/94/07/970559407.db2.gz CLDATJHYRBVZTG-YNEHKIRRSA-N 1 2 224.348 2.616 20 30 BFEDLO Cc1cc([NH2+]CC(C)(C)S)ccc1N ZINC001170306334 970673169 /nfs/dbraw/zinc/67/31/69/970673169.db2.gz XARUIZFUXFYHBM-UHFFFAOYSA-N 1 2 210.346 2.698 20 30 BFEDLO C/C(=C\C=C\[NH3+])c1ccc(C#N)cc1F ZINC001236530651 979620966 /nfs/dbraw/zinc/62/09/66/979620966.db2.gz NRUKWKAAZKFTQZ-YGQDEOHPSA-N 1 2 202.232 2.573 20 30 BFEDLO CC1(C)CC(=O)C=C(CCn2cc[nH+]c2)C1 ZINC001250320170 980763256 /nfs/dbraw/zinc/76/32/56/980763256.db2.gz ZHGKRPKOXBUTEN-UHFFFAOYSA-N 1 2 218.300 2.589 20 30 BFEDLO CCC[C@@H](C)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201543340 983300891 /nfs/dbraw/zinc/30/08/91/983300891.db2.gz POLDWXAXYUXGRZ-PWSUYJOCSA-N 1 2 239.384 2.697 20 30 BFEDLO CCC[C@@H](C)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201543340 983300892 /nfs/dbraw/zinc/30/08/92/983300892.db2.gz POLDWXAXYUXGRZ-PWSUYJOCSA-N 1 2 239.384 2.697 20 30 BFEDLO CCCCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201761871 983468574 /nfs/dbraw/zinc/46/85/74/983468574.db2.gz TZVFHQJCGTWMMM-GFCCVEGCSA-N 1 2 249.345 2.906 20 30 BFEDLO CCCCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201761871 983468587 /nfs/dbraw/zinc/46/85/87/983468587.db2.gz TZVFHQJCGTWMMM-GFCCVEGCSA-N 1 2 249.345 2.906 20 30 BFEDLO C#C[C@H](OCc1cc(C)[nH+]c(C)c1)C(C)C ZINC001223424076 973067517 /nfs/dbraw/zinc/06/75/17/973067517.db2.gz GDTBYYMBBCWQQD-AWEZNQCLSA-N 1 2 217.312 2.873 20 30 BFEDLO C=C(C)c1cncc(-c2ccc[nH+]c2N)c1 ZINC001243475422 970770999 /nfs/dbraw/zinc/77/09/99/970770999.db2.gz YSNILHCEFIOOJA-UHFFFAOYSA-N 1 2 211.268 2.759 20 30 BFEDLO N#Cc1ccc2nccc(-c3ccc[nH+]c3N)c2c1 ZINC001243475359 970771765 /nfs/dbraw/zinc/77/17/65/970771765.db2.gz WTBFIKPHIAOMMD-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO C#Cc1cc(Nc2c(F)ccc(F)c2C)cc[nH+]1 ZINC001216343079 971055639 /nfs/dbraw/zinc/05/56/39/971055639.db2.gz OIBFHMHNSVBRNW-UHFFFAOYSA-N 1 2 244.244 2.815 20 30 BFEDLO CCC[C@@H](CC)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001257259863 971161608 /nfs/dbraw/zinc/16/16/08/971161608.db2.gz PGRQHNQZAXBBNW-NEPJUHHUSA-N 1 2 239.384 2.839 20 30 BFEDLO CCC[C@@H](CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257259863 971161616 /nfs/dbraw/zinc/16/16/16/971161616.db2.gz PGRQHNQZAXBBNW-NEPJUHHUSA-N 1 2 239.384 2.839 20 30 BFEDLO CCC[C@@H](CC)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257259863 971161624 /nfs/dbraw/zinc/16/16/24/971161624.db2.gz PGRQHNQZAXBBNW-NEPJUHHUSA-N 1 2 239.384 2.839 20 30 BFEDLO CCC[C@@H](CC)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257259863 971161627 /nfs/dbraw/zinc/16/16/27/971161627.db2.gz PGRQHNQZAXBBNW-NEPJUHHUSA-N 1 2 239.384 2.839 20 30 BFEDLO CC(C)OC1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001257878155 971515498 /nfs/dbraw/zinc/51/54/98/971515498.db2.gz MORPUXTYZOBLNV-UHFFFAOYSA-N 1 2 236.359 2.568 20 30 BFEDLO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001258049311 971569830 /nfs/dbraw/zinc/56/98/30/971569830.db2.gz DVRAQPOYLWJEGS-AGIUHOORSA-N 1 2 239.359 2.735 20 30 BFEDLO CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001258049311 971569837 /nfs/dbraw/zinc/56/98/37/971569837.db2.gz DVRAQPOYLWJEGS-AGIUHOORSA-N 1 2 239.359 2.735 20 30 BFEDLO Cn1c[nH+]cc1-c1cccc(NCCCS)c1 ZINC001171003262 972228239 /nfs/dbraw/zinc/22/82/39/972228239.db2.gz QPGMHEFOIZWLIF-UHFFFAOYSA-N 1 2 247.367 2.819 20 30 BFEDLO CC(C)Oc1ccc[nH+]c1NCCCS ZINC001171002972 972228501 /nfs/dbraw/zinc/22/85/01/972228501.db2.gz FNFCKFMSQGNTEG-UHFFFAOYSA-N 1 2 226.345 2.601 20 30 BFEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)cc(C)c1F ZINC001143381555 958187163 /nfs/dbraw/zinc/18/71/63/958187163.db2.gz GKRLNJOJBPHRTG-LBPRGKRZSA-N 1 2 232.302 2.788 20 30 BFEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)cc(C)c1F ZINC001143381555 958187168 /nfs/dbraw/zinc/18/71/68/958187168.db2.gz GKRLNJOJBPHRTG-LBPRGKRZSA-N 1 2 232.302 2.788 20 30 BFEDLO C#Cc1ccc(Nc2c[nH+]cc(C)c2C)cn1 ZINC001213528598 958225376 /nfs/dbraw/zinc/22/53/76/958225376.db2.gz HSTDTGRPWLHPFR-UHFFFAOYSA-N 1 2 223.279 2.818 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC)nc1 ZINC001137035678 972337034 /nfs/dbraw/zinc/33/70/34/972337034.db2.gz BMCKNRCEMMJJMZ-UHFFFAOYSA-N 1 2 247.342 2.606 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC)nc1 ZINC001137035678 972337039 /nfs/dbraw/zinc/33/70/39/972337039.db2.gz BMCKNRCEMMJJMZ-UHFFFAOYSA-N 1 2 247.342 2.606 20 30 BFEDLO C=CC[C@H](CCC)OCCn1cc[nH+]c1 ZINC001222134205 972384021 /nfs/dbraw/zinc/38/40/21/972384021.db2.gz BSDPYFDGERBYNK-GFCCVEGCSA-N 1 2 208.305 2.645 20 30 BFEDLO C=C(C)c1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167617091 959085804 /nfs/dbraw/zinc/08/58/04/959085804.db2.gz KIVAXGQNNGGYIA-UHFFFAOYSA-N 1 2 240.310 2.704 20 30 BFEDLO N#Cc1cc(Nc2cccc3[nH+]ccn32)ccc1N ZINC001213426897 959934197 /nfs/dbraw/zinc/93/41/97/959934197.db2.gz DDFLDTPVUNCVFI-UHFFFAOYSA-N 1 2 249.277 2.532 20 30 BFEDLO Cc1cc(C)c(Nc2cnc(C#N)c(F)c2)c[nH+]1 ZINC001203050083 960450945 /nfs/dbraw/zinc/45/09/45/960450945.db2.gz IYLSUVHRFNTJQA-UHFFFAOYSA-N 1 2 242.257 2.848 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC001140787031 960572758 /nfs/dbraw/zinc/57/27/58/960572758.db2.gz UTVIUQNPWZMHDE-NSHDSACASA-N 1 2 226.279 2.778 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC001140787031 960572767 /nfs/dbraw/zinc/57/27/67/960572767.db2.gz UTVIUQNPWZMHDE-NSHDSACASA-N 1 2 226.279 2.778 20 30 BFEDLO N#CC1([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CCCCC1 ZINC001167903223 961695788 /nfs/dbraw/zinc/69/57/88/961695788.db2.gz SWJZEWPFEAGTPN-ZSBIGDGJSA-N 1 2 204.317 2.601 20 30 BFEDLO C=C(C)CNc1[nH+]cc(C)cc1C(OC)OC ZINC001155660811 963142485 /nfs/dbraw/zinc/14/24/85/963142485.db2.gz NAVIRVNXUFCBRI-UHFFFAOYSA-N 1 2 236.315 2.669 20 30 BFEDLO CCOc1cc[nH+]c(NC2=CC(=O)CCC2)c1 ZINC001155708751 963163209 /nfs/dbraw/zinc/16/32/09/963163209.db2.gz YOSHKGCXFPKPHK-UHFFFAOYSA-N 1 2 232.283 2.529 20 30 BFEDLO COc1cccc(C)c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896506343 963469146 /nfs/dbraw/zinc/46/91/46/963469146.db2.gz SASQAWCVCJUKAY-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1cccc(C)c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896506343 963469149 /nfs/dbraw/zinc/46/91/49/963469149.db2.gz SASQAWCVCJUKAY-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO C#C[C@@](C)(CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001158742800 963913110 /nfs/dbraw/zinc/91/31/10/963913110.db2.gz LHGWHHMLLAUVCD-AWEZNQCLSA-N 1 2 229.327 2.876 20 30 BFEDLO COc1cc[nH+]c(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001158950014 963963297 /nfs/dbraw/zinc/96/32/97/963963297.db2.gz FHOLCRXEFHWEAY-UHFFFAOYSA-N 1 2 246.310 2.775 20 30 BFEDLO Cc1cc(NCC(C)(C)S)nc(C2CC2)[nH+]1 ZINC001159269021 964051490 /nfs/dbraw/zinc/05/14/90/964051490.db2.gz AQDPJWHSFPWPPK-UHFFFAOYSA-N 1 2 237.372 2.783 20 30 BFEDLO CCC=CNc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001159669496 964143141 /nfs/dbraw/zinc/14/31/41/964143141.db2.gz YUPHNOPHUMRMQM-HWKANZROSA-N 1 2 212.256 2.770 20 30 BFEDLO Cc1cc(NCCCS)nc(C(C)C)[nH+]1 ZINC001159871600 964221372 /nfs/dbraw/zinc/22/13/72/964221372.db2.gz LUIIMSRTNZUHQP-UHFFFAOYSA-N 1 2 225.361 2.640 20 30 BFEDLO Cc1cc(Nc2cccc3[nH+]c[nH]c32)cnc1C#N ZINC001213029274 964513513 /nfs/dbraw/zinc/51/35/13/964513513.db2.gz KFVKFTNAHGVYLR-UHFFFAOYSA-N 1 2 249.277 2.882 20 30 BFEDLO CC[C@@H](Nc1cc(CC#N)cc[nH+]1)C(F)(F)F ZINC001161375674 964586789 /nfs/dbraw/zinc/58/67/89/964586789.db2.gz UVBJMWNCEBPKJJ-SECBINFHSA-N 1 2 243.232 2.900 20 30 BFEDLO C#CC1(Nc2cc(COC)cc[nH+]2)CCCCC1 ZINC001162478487 964995477 /nfs/dbraw/zinc/99/54/77/964995477.db2.gz GXOAOPXZRQZXEO-UHFFFAOYSA-N 1 2 244.338 2.976 20 30 BFEDLO Cc1c[nH+]c(N[C@](C)(C#N)CC(C)C)cc1N ZINC001162519644 965019734 /nfs/dbraw/zinc/01/97/34/965019734.db2.gz KILSSNHAFNVRJM-ZDUSSCGKSA-N 1 2 232.331 2.713 20 30 BFEDLO C=C(C)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001163378908 965384766 /nfs/dbraw/zinc/38/47/66/965384766.db2.gz XJLJZZVGXYRJQE-UHFFFAOYSA-N 1 2 227.311 2.919 20 30 BFEDLO CC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678996 965393447 /nfs/dbraw/zinc/39/34/47/965393447.db2.gz XQUDANWRAWHCBZ-LBPRGKRZSA-N 1 2 244.338 2.886 20 30 BFEDLO CC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678996 965393465 /nfs/dbraw/zinc/39/34/65/965393465.db2.gz XQUDANWRAWHCBZ-LBPRGKRZSA-N 1 2 244.338 2.886 20 30 BFEDLO CC1(C)CN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001163724902 965538652 /nfs/dbraw/zinc/53/86/52/965538652.db2.gz UUYFHYHVDJXWGU-UHFFFAOYSA-N 1 2 237.306 2.953 20 30 BFEDLO CC(=O)C=C(C)Nc1cc[nH+]c(C2CC2)c1 ZINC001163742107 965565914 /nfs/dbraw/zinc/56/59/14/965565914.db2.gz RESDLWNTTUZOQL-CLFYSBASSA-N 1 2 216.284 2.864 20 30 BFEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001168496933 966056069 /nfs/dbraw/zinc/05/60/69/966056069.db2.gz LSDGBSHCYFXGMK-JSGCOSHPSA-N 1 2 246.329 2.992 20 30 BFEDLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001168496933 966056084 /nfs/dbraw/zinc/05/60/84/966056084.db2.gz LSDGBSHCYFXGMK-JSGCOSHPSA-N 1 2 246.329 2.992 20 30 BFEDLO C=CCc1cc(C)c[nH+]c1NC(C)(C)COC ZINC001165983877 966225202 /nfs/dbraw/zinc/22/52/02/966225202.db2.gz SEKMOSQSNVCFLL-UHFFFAOYSA-N 1 2 234.343 2.955 20 30 BFEDLO C[C@@H]1CCCN(c2cc(CC#N)cc[nH+]2)[C@H]1C ZINC001166611265 966329262 /nfs/dbraw/zinc/32/92/62/966329262.db2.gz ISAHKXHNZIUGPO-NEPJUHHUSA-N 1 2 229.327 2.772 20 30 BFEDLO Cc1ccc(Nc2cncc(C#N)c2)c(C)[nH+]1 ZINC001203366831 966619190 /nfs/dbraw/zinc/61/91/90/966619190.db2.gz FINLFTQMBJITJY-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO CNc1ccc(Nc2cc(F)cc(C#N)c2)c[nH+]1 ZINC001203454616 966658922 /nfs/dbraw/zinc/65/89/22/966658922.db2.gz GPTAFHKMKGNYEN-UHFFFAOYSA-N 1 2 242.257 2.878 20 30 BFEDLO Cc1c[nH+]c(C)c(Nc2ccc(N)cc2C#N)c1 ZINC001203666759 966734435 /nfs/dbraw/zinc/73/44/35/966734435.db2.gz FUXKKNVFVGNYFO-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO CNc1ccc(Nc2cc(C#N)ccc2F)c[nH+]1 ZINC001203459073 966885002 /nfs/dbraw/zinc/88/50/02/966885002.db2.gz XFCKZYMVXSCDEY-UHFFFAOYSA-N 1 2 242.257 2.878 20 30 BFEDLO C#CC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC001204474746 967006436 /nfs/dbraw/zinc/00/64/36/967006436.db2.gz XJVTWOQWSLSJJV-UHFFFAOYSA-N 1 2 245.219 2.910 20 30 BFEDLO C#CC[N@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC001204474746 967006437 /nfs/dbraw/zinc/00/64/37/967006437.db2.gz XJVTWOQWSLSJJV-UHFFFAOYSA-N 1 2 245.219 2.910 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)cn1 ZINC000903109274 967075410 /nfs/dbraw/zinc/07/54/10/967075410.db2.gz LZBOYAAWFAANSZ-NSHDSACASA-N 1 2 247.317 2.955 20 30 BFEDLO Cc1ccc(C#N)c(Nc2[nH+]cc(C)cc2N)c1 ZINC001249895400 967131764 /nfs/dbraw/zinc/13/17/64/967131764.db2.gz XELSOOYNYUDJLG-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO C/C(=C\C=C\[NH3+])c1cc(F)c(C#N)c(F)c1 ZINC001239921030 967253590 /nfs/dbraw/zinc/25/35/90/967253590.db2.gz RKJYIMMNAMKHBD-BVOBWIRXSA-N 1 2 220.222 2.712 20 30 BFEDLO N#Cc1cc(N)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204991708 967277783 /nfs/dbraw/zinc/27/77/83/967277783.db2.gz RJZGCVWEYRVOBX-UHFFFAOYSA-N 1 2 249.277 2.532 20 30 BFEDLO O/N=C/c1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218298 967428303 /nfs/dbraw/zinc/42/83/03/967428303.db2.gz KEWWLFWXCGWYNY-CXUHLZMHSA-N 1 2 237.262 2.809 20 30 BFEDLO C#CCCCNc1cccc(-c2c[nH+]cn2C)c1 ZINC001162448867 967839900 /nfs/dbraw/zinc/83/99/00/967839900.db2.gz MNNRPSIHSCZHQZ-UHFFFAOYSA-N 1 2 239.322 2.912 20 30 BFEDLO CC(C)(C)C(=[NH2+])Nc1cc(C#N)nc(C2CC2)n1 ZINC001162660908 967883852 /nfs/dbraw/zinc/88/38/52/967883852.db2.gz PLHRJALLHHDATH-UHFFFAOYSA-N 1 2 243.314 2.661 20 30 BFEDLO CCN(C)c1[nH+]ccc2ccc(C#N)cc21 ZINC001163584215 968074258 /nfs/dbraw/zinc/07/42/58/968074258.db2.gz SLNJGHNTXJGFQS-UHFFFAOYSA-N 1 2 211.268 2.563 20 30 BFEDLO N#Cc1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001250582032 968105748 /nfs/dbraw/zinc/10/57/48/968105748.db2.gz KMQGPPMHGTYGJJ-UHFFFAOYSA-N 1 2 219.247 2.873 20 30 BFEDLO C=CCCc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250598896 968136624 /nfs/dbraw/zinc/13/66/24/968136624.db2.gz IHBRYFBMOHUCPP-UHFFFAOYSA-N 1 2 214.268 2.616 20 30 BFEDLO N#CC1CC(Oc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001231081877 968524412 /nfs/dbraw/zinc/52/44/12/968524412.db2.gz OWNDEUCBQXTVBX-UHFFFAOYSA-N 1 2 239.278 2.758 20 30 BFEDLO C=C(C)c1cc(F)cc(C)c1C[NH+]1CCOCC1 ZINC001240837173 968759980 /nfs/dbraw/zinc/75/99/80/968759980.db2.gz RCPJZDUGBQHFKI-UHFFFAOYSA-N 1 2 249.329 2.999 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](CCCc2ccccc2F)C1 ZINC001207495215 968806169 /nfs/dbraw/zinc/80/61/69/968806169.db2.gz VGLWVWTUVZLKAD-ZDUSSCGKSA-N 1 2 246.329 2.994 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](CCCc2ccccc2F)C1 ZINC001207495215 968806174 /nfs/dbraw/zinc/80/61/74/968806174.db2.gz VGLWVWTUVZLKAD-ZDUSSCGKSA-N 1 2 246.329 2.994 20 30 BFEDLO CC#CC[N@H+](C)Cc1cccc(OC2CC2)c1F ZINC001207715320 968867290 /nfs/dbraw/zinc/86/72/90/968867290.db2.gz CODKTMCHQCCHLF-UHFFFAOYSA-N 1 2 247.313 2.822 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cccc(OC2CC2)c1F ZINC001207715320 968867297 /nfs/dbraw/zinc/86/72/97/968867297.db2.gz CODKTMCHQCCHLF-UHFFFAOYSA-N 1 2 247.313 2.822 20 30 BFEDLO N#CC1(c2cccc(-c3cc[nH+]c(N)c3)c2)CC1 ZINC001241162772 968941640 /nfs/dbraw/zinc/94/16/40/968941640.db2.gz LQSIEVYBSBHHAN-UHFFFAOYSA-N 1 2 235.290 2.886 20 30 BFEDLO C#CCNc1[nH+]c2ccc(OC)cc2cc1C ZINC001155648034 969040237 /nfs/dbraw/zinc/04/02/37/969040237.db2.gz MFXYHILCXUGWLX-UHFFFAOYSA-N 1 2 226.279 2.597 20 30 BFEDLO CCC[N@H+](CCC#N)C[C@H](C)C(F)(F)F ZINC001208892282 969281618 /nfs/dbraw/zinc/28/16/18/969281618.db2.gz BPCXWQOICPWFFO-VIFPVBQESA-N 1 2 222.254 2.810 20 30 BFEDLO CCC[N@@H+](CCC#N)C[C@H](C)C(F)(F)F ZINC001208892282 969281625 /nfs/dbraw/zinc/28/16/25/969281625.db2.gz BPCXWQOICPWFFO-VIFPVBQESA-N 1 2 222.254 2.810 20 30 BFEDLO C#C[C@](C)(CC)Nc1[nH+]cc(OC)c2cc[nH]c21 ZINC001169692115 969814216 /nfs/dbraw/zinc/81/42/16/969814216.db2.gz KQSGDILJVKEAHG-CQSZACIVSA-N 1 2 243.310 2.785 20 30 BFEDLO N#CC1([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCCCC1 ZINC001254925806 969823702 /nfs/dbraw/zinc/82/37/02/969823702.db2.gz UDKAWVZLFNDLQE-ITGUQSILSA-N 1 2 246.354 2.560 20 30 BFEDLO N#CC1([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)CCCCC1 ZINC001254925810 969824165 /nfs/dbraw/zinc/82/41/65/969824165.db2.gz UDKAWVZLFNDLQE-VXGBXAGGSA-N 1 2 246.354 2.560 20 30 BFEDLO C#Cc1cc(Nc2cccc3cc[nH+]cc32)ccn1 ZINC001210222879 969838000 /nfs/dbraw/zinc/83/80/00/969838000.db2.gz YWKVWOKGBDWOOM-UHFFFAOYSA-N 1 2 245.285 2.777 20 30 BFEDLO Cc1[nH+]cc(Nc2ccsc2C#N)cc1N ZINC001210287484 969853242 /nfs/dbraw/zinc/85/32/42/969853242.db2.gz VEOBMEIYNHYOFS-UHFFFAOYSA-N 1 2 230.296 2.649 20 30 BFEDLO Cc1[nH+]cc(Nc2ccc(C#N)c(F)c2)cc1N ZINC001210288584 969856441 /nfs/dbraw/zinc/85/64/41/969856441.db2.gz TUPSMRMVLJMSNY-UHFFFAOYSA-N 1 2 242.257 2.727 20 30 BFEDLO Cc1ccc[nH+]c1Nc1ccc(O)c(C#N)c1 ZINC001210527269 969927478 /nfs/dbraw/zinc/92/74/78/969927478.db2.gz GTKMGWLHOWCRCD-UHFFFAOYSA-N 1 2 225.251 2.711 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cccc(C)n1 ZINC001255154093 969958647 /nfs/dbraw/zinc/95/86/47/969958647.db2.gz BPWCMBBBBQWJSL-RYUDHWBXSA-N 1 2 217.316 2.733 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1cccc(C)n1 ZINC001255154092 969959667 /nfs/dbraw/zinc/95/96/67/969959667.db2.gz BPWCMBBBBQWJSL-NWDGAFQWSA-N 1 2 217.316 2.733 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC001255153234 969959728 /nfs/dbraw/zinc/95/97/28/969959728.db2.gz SESFRKPGMZJWHM-GXFFZTMASA-N 1 2 248.301 2.931 20 30 BFEDLO C[C@H]1CC(=O)C=C(Nc2cn(C3CCC3)c[nH+]2)C1 ZINC001210771091 970021820 /nfs/dbraw/zinc/02/18/20/970021820.db2.gz KAZPXRKYTBKITB-SNVBAGLBSA-N 1 2 245.326 2.903 20 30 BFEDLO CC(C)(C#N)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255690950 970456980 /nfs/dbraw/zinc/45/69/80/970456980.db2.gz UXESRUJXPMEFQI-RKDXNWHRSA-N 1 2 234.265 2.999 20 30 BFEDLO C[C@H](Cc1ccccc1F)[N@@H+]1CCC[C@H](C#N)C1 ZINC001255851352 970519019 /nfs/dbraw/zinc/51/90/19/970519019.db2.gz MXOLFHKUEXPHMC-CHWSQXEVSA-N 1 2 246.329 2.992 20 30 BFEDLO C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@H](C#N)C1 ZINC001255851352 970519030 /nfs/dbraw/zinc/51/90/30/970519030.db2.gz MXOLFHKUEXPHMC-CHWSQXEVSA-N 1 2 246.329 2.992 20 30 BFEDLO C=CCC[C@H]([NH2+]Cc1nnc[nH]1)c1ccccc1 ZINC001327521269 972615167 /nfs/dbraw/zinc/61/51/67/972615167.db2.gz YVVHBVOHPSUHIX-ZDUSSCGKSA-N 1 2 242.326 2.602 20 30 BFEDLO Cc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@H]1C#N)C2 ZINC001171564864 974104884 /nfs/dbraw/zinc/10/48/84/974104884.db2.gz HDMISCDMMQGRJE-CABCVRRESA-N 1 2 240.350 2.840 20 30 BFEDLO Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@H]1C#N)C2 ZINC001171564864 974104890 /nfs/dbraw/zinc/10/48/90/974104890.db2.gz HDMISCDMMQGRJE-CABCVRRESA-N 1 2 240.350 2.840 20 30 BFEDLO C#C[C@@H](Oc1cc[nH+]cc1)c1ccccc1 ZINC001225290956 974360582 /nfs/dbraw/zinc/36/05/82/974360582.db2.gz LTNQIFOKEHAJGH-CQSZACIVSA-N 1 2 209.248 2.835 20 30 BFEDLO CCCCCCC[C@@H](CC)[N@@H+]1CCOC(=O)C1 ZINC001172362094 974632073 /nfs/dbraw/zinc/63/20/73/974632073.db2.gz RXWWFMQRTYOYHC-CYBMUJFWSA-N 1 2 241.375 2.984 20 30 BFEDLO CCCCCCC[C@@H](CC)[N@H+]1CCOC(=O)C1 ZINC001172362094 974632076 /nfs/dbraw/zinc/63/20/76/974632076.db2.gz RXWWFMQRTYOYHC-CYBMUJFWSA-N 1 2 241.375 2.984 20 30 BFEDLO CCCC[N@H+](CC#N)[C@H](C)CCCC#N ZINC001172501409 974853594 /nfs/dbraw/zinc/85/35/94/974853594.db2.gz QCCASZLMAKRUNT-GFCCVEGCSA-N 1 2 207.321 2.694 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@H](C)CCCC#N ZINC001172501409 974853598 /nfs/dbraw/zinc/85/35/98/974853598.db2.gz QCCASZLMAKRUNT-GFCCVEGCSA-N 1 2 207.321 2.694 20 30 BFEDLO Cc1ccc2c(c1)C[C@H]([NH+]1CC(C)(C#N)C1)CC2 ZINC001172828329 974950726 /nfs/dbraw/zinc/95/07/26/974950726.db2.gz SRZNRLQGYOSMDG-OAHLLOKOSA-N 1 2 240.350 2.698 20 30 BFEDLO CC[C@@H](C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173043117 975012372 /nfs/dbraw/zinc/01/23/72/975012372.db2.gz VHLVLWFYGFZJDQ-LBPRGKRZSA-N 1 2 236.359 2.618 20 30 BFEDLO C=C1O[C@@H](CC)C(=O)C1Oc1c(C)cc[nH+]c1C ZINC001227264250 975339360 /nfs/dbraw/zinc/33/93/60/975339360.db2.gz KWVNYUSDBWSYBZ-NSHDSACASA-N 1 2 247.294 2.687 20 30 BFEDLO CCC1=C(Oc2c(C)cc[nH+]c2C)C(=O)[C@@H](C)O1 ZINC001227263664 975339825 /nfs/dbraw/zinc/33/98/25/975339825.db2.gz GNOATNSRFZBIDS-SNVBAGLBSA-N 1 2 247.294 2.687 20 30 BFEDLO CC1(C#N)CCC([N@@H+]2CCC(F)(F)C2)CC1 ZINC001173592606 975442196 /nfs/dbraw/zinc/44/21/96/975442196.db2.gz VSFCCTMLBDIHPP-UHFFFAOYSA-N 1 2 228.286 2.800 20 30 BFEDLO CC1(C#N)CCC([N@H+]2CCC(F)(F)C2)CC1 ZINC001173592606 975442209 /nfs/dbraw/zinc/44/22/09/975442209.db2.gz VSFCCTMLBDIHPP-UHFFFAOYSA-N 1 2 228.286 2.800 20 30 BFEDLO C=CCCCN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001333572521 975859988 /nfs/dbraw/zinc/85/99/88/975859988.db2.gz BXQOFKROCFXRSC-UHFFFAOYSA-N 1 2 249.358 2.502 20 30 BFEDLO Cc1[nH]c2ccc(O[C@@H]3CC[C@H](C#N)C3)cc2[nH+]1 ZINC001228327151 976120750 /nfs/dbraw/zinc/12/07/50/976120750.db2.gz OJBPWSFDIHUHLO-WDEREUQCSA-N 1 2 241.294 2.942 20 30 BFEDLO C#C[C@@H](Oc1ccc2[nH]c(C)[nH+]c2c1)C(C)C ZINC001228329565 976131113 /nfs/dbraw/zinc/13/11/13/976131113.db2.gz NOVUFKIPWASXRE-CQSZACIVSA-N 1 2 228.295 2.908 20 30 BFEDLO C#Cc1cc(Nc2cc(C)ccc2F)cc[nH+]1 ZINC001174110278 976308873 /nfs/dbraw/zinc/30/88/73/976308873.db2.gz BJAGPIYUYCIVEB-UHFFFAOYSA-N 1 2 226.254 2.676 20 30 BFEDLO C#Cc1cc(Nc2ccc(C)c(OC)c2)cc[nH+]1 ZINC001175013870 977212150 /nfs/dbraw/zinc/21/21/50/977212150.db2.gz UNBOSKOSHDPODF-UHFFFAOYSA-N 1 2 238.290 2.545 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(C)nc1C ZINC001232084029 977885889 /nfs/dbraw/zinc/88/58/89/977885889.db2.gz VQACCAOOEUBTGP-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc(C)nc1C ZINC001232084029 977885890 /nfs/dbraw/zinc/88/58/90/977885890.db2.gz VQACCAOOEUBTGP-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO COc1cc[nH+]cc1Nc1c(F)cccc1C#N ZINC001176121794 977955374 /nfs/dbraw/zinc/95/53/74/977955374.db2.gz QAIFAWSKDIHKDJ-UHFFFAOYSA-N 1 2 243.241 2.845 20 30 BFEDLO Cc1nnn([NH+]=C[C@@H]2C(C)=CCC[C@H]2C)c1C ZINC001336983488 978103090 /nfs/dbraw/zinc/10/30/90/978103090.db2.gz XTRLRXQXEOVGGK-ZWNOBZJWSA-N 1 2 232.331 2.721 20 30 BFEDLO C#Cc1cc(Nc2ccc(Cl)cc2)cc[nH+]1 ZINC001176725557 978161837 /nfs/dbraw/zinc/16/18/37/978161837.db2.gz MUMVAWYWSGHGIE-UHFFFAOYSA-N 1 2 228.682 2.882 20 30 BFEDLO CC[N@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233043322 978423962 /nfs/dbraw/zinc/42/39/62/978423962.db2.gz OJZMQXXQNUKDKM-UHFFFAOYSA-N 1 2 239.322 2.908 20 30 BFEDLO CC[N@@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233043322 978423968 /nfs/dbraw/zinc/42/39/68/978423968.db2.gz OJZMQXXQNUKDKM-UHFFFAOYSA-N 1 2 239.322 2.908 20 30 BFEDLO C=CC[N@H+](Cc1nc2ccccn2n1)C(C)(C)C ZINC001233074129 978459791 /nfs/dbraw/zinc/45/97/91/978459791.db2.gz KORYUYYBJOTZNL-UHFFFAOYSA-N 1 2 244.342 2.516 20 30 BFEDLO C=CC[N@@H+](Cc1nc2ccccn2n1)C(C)(C)C ZINC001233074129 978459794 /nfs/dbraw/zinc/45/97/94/978459794.db2.gz KORYUYYBJOTZNL-UHFFFAOYSA-N 1 2 244.342 2.516 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cnc(C)c(C)c1 ZINC001233160814 978480469 /nfs/dbraw/zinc/48/04/69/978480469.db2.gz CQXKANAKZVOPCO-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cnc(C)c(C)c1 ZINC001233160814 978480474 /nfs/dbraw/zinc/48/04/74/978480474.db2.gz CQXKANAKZVOPCO-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO C=CC[N@@H+](C)Cc1cc(Cl)cnc1OCC ZINC001233172523 978486201 /nfs/dbraw/zinc/48/62/01/978486201.db2.gz VYZBPRHUEFASLG-UHFFFAOYSA-N 1 2 240.734 2.752 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(Cl)cnc1OCC ZINC001233172523 978486208 /nfs/dbraw/zinc/48/62/08/978486208.db2.gz VYZBPRHUEFASLG-UHFFFAOYSA-N 1 2 240.734 2.752 20 30 BFEDLO CCc1ccc(N2CCC(CC#N)CC2)[nH+]c1 ZINC001337832046 978518555 /nfs/dbraw/zinc/51/85/55/978518555.db2.gz MDFCGEHCZYLFHA-UHFFFAOYSA-N 1 2 229.327 2.774 20 30 BFEDLO C#CC[C@@H]1CCCN(c2ccc(CC)c[nH+]2)C1 ZINC001338026807 978591685 /nfs/dbraw/zinc/59/16/85/978591685.db2.gz MLPXJAFRQKYNSK-CQSZACIVSA-N 1 2 228.339 2.884 20 30 BFEDLO C=C[C@@H](CC)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001338243496 978643322 /nfs/dbraw/zinc/64/33/22/978643322.db2.gz PHGRVRLRTMXHSA-LBPRGKRZSA-N 1 2 232.327 2.661 20 30 BFEDLO C=C(C)c1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC001180114601 978821433 /nfs/dbraw/zinc/82/14/33/978821433.db2.gz AUQBVLBLMKBZFV-UHFFFAOYSA-N 1 2 241.294 2.555 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc2ccccn2n1 ZINC001237445466 979896463 /nfs/dbraw/zinc/89/64/63/979896463.db2.gz HNQKXNTVGNQVGL-UHFFFAOYSA-N 1 2 227.311 2.508 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cccc2c1OCC2 ZINC001237751192 980045940 /nfs/dbraw/zinc/04/59/40/980045940.db2.gz PRUXOOATRMREMG-UHFFFAOYSA-N 1 2 244.338 2.747 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cccc2c1OCC2 ZINC001237751192 980045943 /nfs/dbraw/zinc/04/59/43/980045943.db2.gz PRUXOOATRMREMG-UHFFFAOYSA-N 1 2 244.338 2.747 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(OCC)cc1Cl ZINC001238403841 980245063 /nfs/dbraw/zinc/24/50/63/980245063.db2.gz RNCKNFSEBWBYBW-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO C#CC[N@H+](C)Cc1ccc(OCC)cc1Cl ZINC001238403841 980245079 /nfs/dbraw/zinc/24/50/79/980245079.db2.gz RNCKNFSEBWBYBW-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO CCc1cn(Cc2ccc(C#N)cc2C)c[nH+]1 ZINC001190102717 980845179 /nfs/dbraw/zinc/84/51/79/980845179.db2.gz BRBMWQLDTIPDLX-UHFFFAOYSA-N 1 2 225.295 2.674 20 30 BFEDLO C[N@H+](CCC#N)Cc1coc2ccccc12 ZINC000157826235 981025932 /nfs/dbraw/zinc/02/59/32/981025932.db2.gz SSGCCNREUKTIKM-UHFFFAOYSA-N 1 2 214.268 2.778 20 30 BFEDLO C[N@@H+](CCC#N)Cc1coc2ccccc12 ZINC000157826235 981025938 /nfs/dbraw/zinc/02/59/38/981025938.db2.gz SSGCCNREUKTIKM-UHFFFAOYSA-N 1 2 214.268 2.778 20 30 BFEDLO Cc1cnc(-c2ccn3cc[nH+]c3c2)c(C#N)c1 ZINC001240497274 981418285 /nfs/dbraw/zinc/41/82/85/981418285.db2.gz 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TZVKRHCYTJPHLV-SECBINFHSA-N 1 2 224.267 2.617 20 30 BFEDLO N#Cc1c2ccccc2cnc1C1=C[NH2+]CCC1 ZINC001243949005 985638976 /nfs/dbraw/zinc/63/89/76/985638976.db2.gz JEQNOSDEOMQGGE-UHFFFAOYSA-N 1 2 235.290 2.831 20 30 BFEDLO Cc1cc2[nH+]ccn2cc1-c1ccc(C#N)cc1N ZINC001244088431 985802813 /nfs/dbraw/zinc/80/28/13/985802813.db2.gz GADOCBJGBORMQK-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO Cc1cn2c(cccc2-c2ccncc2C#N)[nH+]1 ZINC001244334882 985972447 /nfs/dbraw/zinc/97/24/47/985972447.db2.gz SSWCBCXOUJSKEO-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO CCNc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC001461968931 986249121 /nfs/dbraw/zinc/24/91/21/986249121.db2.gz SZMKYWCOXYHBQD-LBPRGKRZSA-N 1 2 231.343 2.710 20 30 BFEDLO CCNc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC001461968931 986249126 /nfs/dbraw/zinc/24/91/26/986249126.db2.gz SZMKYWCOXYHBQD-LBPRGKRZSA-N 1 2 231.343 2.710 20 30 BFEDLO C=C/C(=[NH+]\COC)c1cc(C)cc(Cl)c1N ZINC001244569067 986253198 /nfs/dbraw/zinc/25/31/98/986253198.db2.gz NSFRKIQCSRRKHS-RVDMUPIBSA-N 1 2 238.718 2.810 20 30 BFEDLO Cc1c(C#N)cccc1-c1ccc(N)[nH+]c1 ZINC001244814825 986349888 /nfs/dbraw/zinc/34/98/88/986349888.db2.gz HVOSQBURLJAWBD-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO Cc1c(C#N)cccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001244816411 986354649 /nfs/dbraw/zinc/35/46/49/986354649.db2.gz ZIXNZHSMLRQHMZ-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO CNc1cc(-c2ccc(/C=N/O)c(F)c2)cc[nH+]1 ZINC001244975587 986559903 /nfs/dbraw/zinc/55/99/03/986559903.db2.gz HNUWVVUDQWTDAJ-CAOOACKPSA-N 1 2 245.257 2.738 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccc(C)cn1 ZINC001255154889 986827372 /nfs/dbraw/zinc/82/73/72/986827372.db2.gz MBPOUARDYSJASN-NWDGAFQWSA-N 1 2 217.316 2.733 20 30 BFEDLO CC[C@H](CC#N)[N@H+](CC)Cc1cccnc1 ZINC001255173274 986865393 /nfs/dbraw/zinc/86/53/93/986865393.db2.gz KDJSBBWECVYMOW-CYBMUJFWSA-N 1 2 217.316 2.596 20 30 BFEDLO CC[C@H](CC#N)[N@@H+](CC)Cc1cccnc1 ZINC001255173274 986865400 /nfs/dbraw/zinc/86/54/00/986865400.db2.gz KDJSBBWECVYMOW-CYBMUJFWSA-N 1 2 217.316 2.596 20 30 BFEDLO Cc1cc(-c2ccc3[nH]cc(C#N)c3c2)c[nH+]c1N ZINC001245538565 986917403 /nfs/dbraw/zinc/91/74/03/986917403.db2.gz OHRWEQDORIHMBS-UHFFFAOYSA-N 1 2 248.289 2.992 20 30 BFEDLO Cc1cc(-c2ccc(F)c(C#N)c2F)c[nH+]c1N ZINC001245540046 986923151 /nfs/dbraw/zinc/92/31/51/986923151.db2.gz MEOZEKCBEXTQPE-UHFFFAOYSA-N 1 2 245.232 2.789 20 30 BFEDLO Cc1ccc(C#N)c(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001245606234 986992133 /nfs/dbraw/zinc/99/21/33/986992133.db2.gz UINGZASQNCOTIV-UHFFFAOYSA-N 1 2 249.317 2.930 20 30 BFEDLO C#CC[N@@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC001116473921 987593600 /nfs/dbraw/zinc/59/36/00/987593600.db2.gz UZCLYKMOQGDRKW-UHFFFAOYSA-N 1 2 249.741 2.891 20 30 BFEDLO C#CC[N@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC001116473921 987593609 /nfs/dbraw/zinc/59/36/09/987593609.db2.gz UZCLYKMOQGDRKW-UHFFFAOYSA-N 1 2 249.741 2.891 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC001473866764 987594694 /nfs/dbraw/zinc/59/46/94/987594694.db2.gz ADXXUAKLZXCGER-ZDUSSCGKSA-N 1 2 235.277 2.953 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC001473866764 987594705 /nfs/dbraw/zinc/59/47/05/987594705.db2.gz ADXXUAKLZXCGER-ZDUSSCGKSA-N 1 2 235.277 2.953 20 30 BFEDLO CCCCC(CCCC)N1CC[NH2+]C[C@@H]1C#N ZINC001246590903 988165912 /nfs/dbraw/zinc/16/59/12/988165912.db2.gz DQGMVNUYDMRDRP-AWEZNQCLSA-N 1 2 237.391 2.533 20 30 BFEDLO CCCCCCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246594643 988188530 /nfs/dbraw/zinc/18/85/30/988188530.db2.gz QASIALJLHHKMHL-KBPBESRZSA-N 1 2 237.391 2.533 20 30 BFEDLO C=CC(C)(C)CCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001119054448 988818174 /nfs/dbraw/zinc/81/81/74/988818174.db2.gz RZHINJHWAGYTND-GFCCVEGCSA-N 1 2 249.358 2.553 20 30 BFEDLO CC[C@@H]1CCC[C@H](C=[NH+]n2nnc(C)c2C)C1 ZINC001119298700 988895965 /nfs/dbraw/zinc/89/59/65/988895965.db2.gz JXVLDIYNFIMNOU-OLZOCXBDSA-N 1 2 234.347 2.945 20 30 BFEDLO CC[C@@H]1CCC[C@@H](C=[NH+]n2nnc(C)c2C)C1 ZINC001119298698 988897233 /nfs/dbraw/zinc/89/72/33/988897233.db2.gz JXVLDIYNFIMNOU-CHWSQXEVSA-N 1 2 234.347 2.945 20 30 BFEDLO C=CCC1(O)CCN(c2ccc(CC)c[nH+]2)CC1 ZINC001120960775 989990180 /nfs/dbraw/zinc/99/01/80/989990180.db2.gz XXWQNQRZXWGRBW-UHFFFAOYSA-N 1 2 246.354 2.551 20 30 BFEDLO C=CC[N@@H+](C)Cc1c(F)ccc(C)c1F ZINC001138119447 990884362 /nfs/dbraw/zinc/88/43/62/990884362.db2.gz CXFHIRRJZWWGFF-UHFFFAOYSA-N 1 2 211.255 2.891 20 30 BFEDLO C=CC[N@H+](C)Cc1c(F)ccc(C)c1F ZINC001138119447 990884372 /nfs/dbraw/zinc/88/43/72/990884372.db2.gz CXFHIRRJZWWGFF-UHFFFAOYSA-N 1 2 211.255 2.891 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(N(C)C)s1 ZINC001138493848 990967354 /nfs/dbraw/zinc/96/73/54/990967354.db2.gz ARRJLVWWOGHRKJ-UHFFFAOYSA-N 1 2 237.372 2.550 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(N(C)C)s1 ZINC001138493848 990967363 /nfs/dbraw/zinc/96/73/63/990967363.db2.gz ARRJLVWWOGHRKJ-UHFFFAOYSA-N 1 2 237.372 2.550 20 30 BFEDLO Cc1nc(NCC#C[Si](C)(C)C)c(C)c(C)[nH+]1 ZINC001559257888 991061276 /nfs/dbraw/zinc/06/12/76/991061276.db2.gz JHZIQOZCWBSTSS-UHFFFAOYSA-N 1 2 247.418 2.695 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2scnc2c1 ZINC001308624811 991063898 /nfs/dbraw/zinc/06/38/98/991063898.db2.gz CLMMSNJHEABMKS-SNVBAGLBSA-N 1 2 245.351 2.888 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2scnc2c1 ZINC001308624811 991063910 /nfs/dbraw/zinc/06/39/10/991063910.db2.gz CLMMSNJHEABMKS-SNVBAGLBSA-N 1 2 245.351 2.888 20 30 BFEDLO C#CC[NH+](CC#C)Cc1ccccc1OCCC ZINC001138998130 991117533 /nfs/dbraw/zinc/11/75/33/991117533.db2.gz DFLDLYSJUJLUJH-UHFFFAOYSA-N 1 2 241.334 2.544 20 30 BFEDLO C#CC[NH+](CC#C)Cc1cnc2ccc(C)cc2c1 ZINC001559555107 991151882 /nfs/dbraw/zinc/15/18/82/991151882.db2.gz RLFOHQYXJFOGNA-UHFFFAOYSA-N 1 2 248.329 2.612 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ccc(C)nc1 ZINC001139931392 991422495 /nfs/dbraw/zinc/42/24/95/991422495.db2.gz OGCXNKDSUOJCGM-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C)nc1 ZINC001139931392 991422498 /nfs/dbraw/zinc/42/24/98/991422498.db2.gz OGCXNKDSUOJCGM-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO C=CCC[C@@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258729962 991667212 /nfs/dbraw/zinc/66/72/12/991667212.db2.gz ZPWWZFQEWOGBFN-ZYHUDNBSSA-N 1 2 237.368 2.615 20 30 BFEDLO C=CCC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258729962 991667236 /nfs/dbraw/zinc/66/72/36/991667236.db2.gz ZPWWZFQEWOGBFN-ZYHUDNBSSA-N 1 2 237.368 2.615 20 30 BFEDLO C=CCC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258729962 991667240 /nfs/dbraw/zinc/66/72/40/991667240.db2.gz ZPWWZFQEWOGBFN-ZYHUDNBSSA-N 1 2 237.368 2.615 20 30 BFEDLO C=CCC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258729962 991667243 /nfs/dbraw/zinc/66/72/43/991667243.db2.gz ZPWWZFQEWOGBFN-ZYHUDNBSSA-N 1 2 237.368 2.615 20 30 BFEDLO C[C@@H]1CCC[C@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001258807353 991809996 /nfs/dbraw/zinc/80/99/96/991809996.db2.gz HDSZYVRILUDCFL-NEPJUHHUSA-N 1 2 206.333 2.991 20 30 BFEDLO C=C[C@@H](COC)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC001333697302 994499315 /nfs/dbraw/zinc/49/93/15/994499315.db2.gz HBVHZBQAPZKYKA-LBPRGKRZSA-N 1 2 247.342 2.665 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000062839073 349493960 /nfs/dbraw/zinc/49/39/60/349493960.db2.gz DYYGTEWFKFYXGH-VIFPVBQESA-N 1 2 237.372 2.690 20 30 BFEDLO C#CCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000276781263 398153062 /nfs/dbraw/zinc/15/30/62/398153062.db2.gz IXTHGWSQWPGRCO-UHFFFAOYSA-N 1 2 235.277 2.953 20 30 BFEDLO C#CCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000276781263 398153066 /nfs/dbraw/zinc/15/30/66/398153066.db2.gz IXTHGWSQWPGRCO-UHFFFAOYSA-N 1 2 235.277 2.953 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1ccsc1Cl ZINC000308266672 346818543 /nfs/dbraw/zinc/81/85/43/346818543.db2.gz QCCZFSJXTSDKMV-ZETCQYMHSA-N 1 2 214.721 2.651 20 30 BFEDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)no1 ZINC000337272219 178229668 /nfs/dbraw/zinc/22/96/68/178229668.db2.gz CCWFSCHWCKKKCO-SECBINFHSA-N 1 2 247.323 2.767 20 30 BFEDLO C=C(C)CN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000181786613 398247841 /nfs/dbraw/zinc/24/78/41/398247841.db2.gz LYJCMMVKLAKQGB-UHFFFAOYSA-N 1 2 233.315 2.738 20 30 BFEDLO CC[N@H+](CC#N)C[C@@H](C)c1ccc(C)cc1 ZINC000600116107 342673373 /nfs/dbraw/zinc/67/33/73/342673373.db2.gz VTPHXZAGZVNGMI-CYBMUJFWSA-N 1 2 216.328 2.944 20 30 BFEDLO CC[N@@H+](CC#N)C[C@@H](C)c1ccc(C)cc1 ZINC000600116107 342673375 /nfs/dbraw/zinc/67/33/75/342673375.db2.gz VTPHXZAGZVNGMI-CYBMUJFWSA-N 1 2 216.328 2.944 20 30 BFEDLO CC[N@H+](CC#N)C[C@H](C)c1ccc(C)cc1 ZINC000600116110 342673577 /nfs/dbraw/zinc/67/35/77/342673577.db2.gz VTPHXZAGZVNGMI-ZDUSSCGKSA-N 1 2 216.328 2.944 20 30 BFEDLO CC[N@@H+](CC#N)C[C@H](C)c1ccc(C)cc1 ZINC000600116110 342673578 /nfs/dbraw/zinc/67/35/78/342673578.db2.gz VTPHXZAGZVNGMI-ZDUSSCGKSA-N 1 2 216.328 2.944 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccncc2Cl)CCCC1 ZINC000600174499 342695833 /nfs/dbraw/zinc/69/58/33/342695833.db2.gz WDZKQYJLMYRZKC-UHFFFAOYSA-N 1 2 249.745 2.909 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@H](C)c1ccccc1F ZINC000042375312 342773573 /nfs/dbraw/zinc/77/35/73/342773573.db2.gz AAEFWSMEHOMWSO-NXEZZACHSA-N 1 2 206.264 2.778 20 30 BFEDLO Cc1c[nH+]cc(NC[C@@H](C)CCC#N)c1 ZINC000602575813 349623985 /nfs/dbraw/zinc/62/39/85/349623985.db2.gz XOMCGOCVAMDMEG-JTQLQIEISA-N 1 2 203.289 2.742 20 30 BFEDLO C=CCCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000134820717 342893740 /nfs/dbraw/zinc/89/37/40/342893740.db2.gz XKKVGXYRUYDHAS-UHFFFAOYSA-N 1 2 241.294 2.981 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)sn1 ZINC000602611067 349634431 /nfs/dbraw/zinc/63/44/31/349634431.db2.gz UXAMVMSOPPXDPQ-LBPRGKRZSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)sn1 ZINC000602611067 349634435 /nfs/dbraw/zinc/63/44/35/349634435.db2.gz UXAMVMSOPPXDPQ-LBPRGKRZSA-N 1 2 235.356 2.577 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(F)c2N)C1 ZINC000602610357 349633465 /nfs/dbraw/zinc/63/34/65/349633465.db2.gz TZCPFPCLVKPOPV-AWEZNQCLSA-N 1 2 247.317 2.534 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000602610357 349633469 /nfs/dbraw/zinc/63/34/69/349633469.db2.gz TZCPFPCLVKPOPV-AWEZNQCLSA-N 1 2 247.317 2.534 20 30 BFEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(F)c1 ZINC000602719155 349687732 /nfs/dbraw/zinc/68/77/32/349687732.db2.gz UJKNUAUPGIGQNY-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(F)c1 ZINC000602719155 349687735 /nfs/dbraw/zinc/68/77/35/349687735.db2.gz UJKNUAUPGIGQNY-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO C[C@@H](CCC#N)C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000602663197 349683266 /nfs/dbraw/zinc/68/32/66/349683266.db2.gz KJROXBRPZWZMED-WCBMZHEXSA-N 1 2 234.265 2.857 20 30 BFEDLO Cc1ccc(C[NH2+]CC2(C#N)CCC2)c(F)c1 ZINC000602696792 349692470 /nfs/dbraw/zinc/69/24/70/349692470.db2.gz GPEOGEYUTWFDAB-UHFFFAOYSA-N 1 2 232.302 2.918 20 30 BFEDLO N#CC1(C[NH2+]Cc2cc(C3CC3)no2)CCCC1 ZINC000602700623 349696016 /nfs/dbraw/zinc/69/60/16/349696016.db2.gz UWKKMGMUPCCFJM-UHFFFAOYSA-N 1 2 245.326 2.726 20 30 BFEDLO C=C(C)C[C@H]([NH2+]Cc1ccccc1C)C(=O)OC ZINC000602730663 349717118 /nfs/dbraw/zinc/71/71/18/349717118.db2.gz DHZHJIVVRODQKF-AWEZNQCLSA-N 1 2 247.338 2.592 20 30 BFEDLO N#CCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000042248176 342995538 /nfs/dbraw/zinc/99/55/38/342995538.db2.gz ZHQBZLPWXBXSGQ-UHFFFAOYSA-N 1 2 218.275 2.704 20 30 BFEDLO N#CCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000042248176 342995540 /nfs/dbraw/zinc/99/55/40/342995540.db2.gz ZHQBZLPWXBXSGQ-UHFFFAOYSA-N 1 2 218.275 2.704 20 30 BFEDLO CCn1cc[nH+]c1CNc1cc(C)cc(C#N)c1 ZINC000308112767 529580926 /nfs/dbraw/zinc/58/09/26/529580926.db2.gz QAIHDMGMIJXJCS-UHFFFAOYSA-N 1 2 240.310 2.695 20 30 BFEDLO Cc1cc(C)c(C[N@@H+](C)[C@@H](C)CC#N)c(C)n1 ZINC000602789803 349752306 /nfs/dbraw/zinc/75/23/06/349752306.db2.gz ZEAFNVLRIIVKTE-LBPRGKRZSA-N 1 2 231.343 2.741 20 30 BFEDLO Cc1cc(C)c(C[N@H+](C)[C@@H](C)CC#N)c(C)n1 ZINC000602789803 349752307 /nfs/dbraw/zinc/75/23/07/349752307.db2.gz ZEAFNVLRIIVKTE-LBPRGKRZSA-N 1 2 231.343 2.741 20 30 BFEDLO CCC(F)(F)C[NH+]1CCC(C)(C#N)CC1 ZINC000602808589 349753614 /nfs/dbraw/zinc/75/36/14/349753614.db2.gz XZRVIWMUNZONQV-UHFFFAOYSA-N 1 2 216.275 2.657 20 30 BFEDLO N#CC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000362953102 136269049 /nfs/dbraw/zinc/26/90/49/136269049.db2.gz XGIIVHJOQURSQO-CYBMUJFWSA-N 1 2 206.333 2.945 20 30 BFEDLO N#CC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000362953102 136269050 /nfs/dbraw/zinc/26/90/50/136269050.db2.gz XGIIVHJOQURSQO-CYBMUJFWSA-N 1 2 206.333 2.945 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1noc(C(C)C)n1 ZINC000054316328 343118401 /nfs/dbraw/zinc/11/84/01/343118401.db2.gz MCJAENGHSPMLPL-UHFFFAOYSA-N 1 2 223.320 2.591 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1noc(C(C)C)n1 ZINC000054316328 343118404 /nfs/dbraw/zinc/11/84/04/343118404.db2.gz MCJAENGHSPMLPL-UHFFFAOYSA-N 1 2 223.320 2.591 20 30 BFEDLO C=C(C)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084136521 343119256 /nfs/dbraw/zinc/11/92/56/343119256.db2.gz POXWHHZXACDGBT-UHFFFAOYSA-N 1 2 223.266 2.899 20 30 BFEDLO C=C(C)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084136521 343119258 /nfs/dbraw/zinc/11/92/58/343119258.db2.gz POXWHHZXACDGBT-UHFFFAOYSA-N 1 2 223.266 2.899 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC000602867193 349799091 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/nfs/dbraw/zinc/83/06/46/349830646.db2.gz CZKPPLYPHJDNDM-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1nsc(C)c1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981425 349830745 /nfs/dbraw/zinc/83/07/45/349830745.db2.gz CWAIDBKFWALUHM-YPMHNXCESA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1nsc(C)c1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981425 349830746 /nfs/dbraw/zinc/83/07/46/349830746.db2.gz CWAIDBKFWALUHM-YPMHNXCESA-N 1 2 249.383 2.884 20 30 BFEDLO Cc1ccncc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980426 349845282 /nfs/dbraw/zinc/84/52/82/349845282.db2.gz QACHVDNMHXTZMI-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccncc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980426 349845285 /nfs/dbraw/zinc/84/52/85/349845285.db2.gz QACHVDNMHXTZMI-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO CC(C)n1cc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000179453996 346985384 /nfs/dbraw/zinc/98/53/84/346985384.db2.gz NVHTUVBMOBJHPJ-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)n1cc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000179453996 346985389 /nfs/dbraw/zinc/98/53/89/346985389.db2.gz NVHTUVBMOBJHPJ-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000334316320 343868573 /nfs/dbraw/zinc/86/85/73/343868573.db2.gz SISUTRAGLNROQE-UHFFFAOYSA-N 1 2 249.383 2.883 20 30 BFEDLO Cc1cc(N2CCC[C@](C)(F)C2)c(C#N)c[nH+]1 ZINC000335094796 343927327 /nfs/dbraw/zinc/92/73/27/343927327.db2.gz KYSNHUWWTKCYPZ-ZDUSSCGKSA-N 1 2 233.290 2.590 20 30 BFEDLO CCC#C[C@@H](C)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625728207 344060164 /nfs/dbraw/zinc/06/01/64/344060164.db2.gz ZOJSHIAXERFWBO-LLVKDONJSA-N 1 2 215.296 2.510 20 30 BFEDLO CCC#C[C@@H](C)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625728207 344060165 /nfs/dbraw/zinc/06/01/65/344060165.db2.gz ZOJSHIAXERFWBO-LLVKDONJSA-N 1 2 215.296 2.510 20 30 BFEDLO C=CCCCCCN(C)c1cc(CO)cc[nH+]1 ZINC000641391975 362387921 /nfs/dbraw/zinc/38/79/21/362387921.db2.gz QSTGGYMTUWJQQV-UHFFFAOYSA-N 1 2 234.343 2.757 20 30 BFEDLO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC000622945516 344501022 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/nfs/dbraw/zinc/67/81/80/344678180.db2.gz LPIPGVDNLCFKQM-GFCCVEGCSA-N 1 2 229.323 2.813 20 30 BFEDLO CCC#C[C@@H](C)[N@H+]1Cc2cccc(OC)c2C1 ZINC000626022825 344678182 /nfs/dbraw/zinc/67/81/82/344678182.db2.gz LPIPGVDNLCFKQM-GFCCVEGCSA-N 1 2 229.323 2.813 20 30 BFEDLO CCn1cc[nH+]c1CN(CCC#N)CC(C)(C)C ZINC000112602042 344647569 /nfs/dbraw/zinc/64/75/69/344647569.db2.gz LEFPUDIRAYOOKR-UHFFFAOYSA-N 1 2 248.374 2.665 20 30 BFEDLO Cn1cc[nH+]c1-c1ccccc1C1(C#N)CC1 ZINC000260186948 344724504 /nfs/dbraw/zinc/72/45/04/344724504.db2.gz KPKIBLQBGWYFTB-UHFFFAOYSA-N 1 2 223.279 2.642 20 30 BFEDLO Cc1ccc([C@H]2COCC[N@@H+]2CCCCC#N)o1 ZINC000116895206 344737262 /nfs/dbraw/zinc/73/72/62/344737262.db2.gz AGUOOVWIQWQZMS-CYBMUJFWSA-N 1 2 248.326 2.655 20 30 BFEDLO Cc1ccc([C@H]2COCC[N@H+]2CCCCC#N)o1 ZINC000116895206 344737263 /nfs/dbraw/zinc/73/72/63/344737263.db2.gz AGUOOVWIQWQZMS-CYBMUJFWSA-N 1 2 248.326 2.655 20 30 BFEDLO N#CC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000075968319 344789525 /nfs/dbraw/zinc/78/95/25/344789525.db2.gz NYJZXPXVVIFQKD-UHFFFAOYSA-N 1 2 206.333 2.946 20 30 BFEDLO N#CC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000075968319 344789527 /nfs/dbraw/zinc/78/95/27/344789527.db2.gz NYJZXPXVVIFQKD-UHFFFAOYSA-N 1 2 206.333 2.946 20 30 BFEDLO N#CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119065128 344837942 /nfs/dbraw/zinc/83/79/42/344837942.db2.gz HRLZEGGHNYQJKI-LSDHHAIUSA-N 1 2 228.339 2.901 20 30 BFEDLO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353186712 534985577 /nfs/dbraw/zinc/98/55/77/534985577.db2.gz VYZRMZGMRRFTQI-SECBINFHSA-N 1 2 216.275 2.656 20 30 BFEDLO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353186712 534985582 /nfs/dbraw/zinc/98/55/82/534985582.db2.gz VYZRMZGMRRFTQI-SECBINFHSA-N 1 2 216.275 2.656 20 30 BFEDLO C#C[C@@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000166452690 166211572 /nfs/dbraw/zinc/21/15/72/166211572.db2.gz ULFZCVCHWNKTRG-SECBINFHSA-N 1 2 222.357 2.552 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccccc1C(C)(C)C#N ZINC000135270150 345436870 /nfs/dbraw/zinc/43/68/70/345436870.db2.gz DFYXEHCACMAWDB-UHFFFAOYSA-N 1 2 241.338 2.833 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccccc1C(C)(C)C#N ZINC000135270150 345436872 /nfs/dbraw/zinc/43/68/72/345436872.db2.gz DFYXEHCACMAWDB-UHFFFAOYSA-N 1 2 241.338 2.833 20 30 BFEDLO C=CC(C)(C)CCNc1cc(CO)cc[nH+]1 ZINC000641675905 362596495 /nfs/dbraw/zinc/59/64/95/362596495.db2.gz HTRRCFBWLJVJPL-UHFFFAOYSA-N 1 2 220.316 2.588 20 30 BFEDLO CC(C)C(C[N@@H+]1CC[C@@](F)(C#N)C1)C(C)C ZINC000585767564 345988954 /nfs/dbraw/zinc/98/89/54/345988954.db2.gz RQDQFAYYKPXEON-CYBMUJFWSA-N 1 2 226.339 2.852 20 30 BFEDLO CC(C)C(C[N@H+]1CC[C@@](F)(C#N)C1)C(C)C ZINC000585767564 345988956 /nfs/dbraw/zinc/98/89/56/345988956.db2.gz RQDQFAYYKPXEON-CYBMUJFWSA-N 1 2 226.339 2.852 20 30 BFEDLO C=C(C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635988444 346139837 /nfs/dbraw/zinc/13/98/37/346139837.db2.gz QWWFTSPTWYYZJN-ZDUSSCGKSA-N 1 2 249.358 2.553 20 30 BFEDLO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)on1 ZINC000601132674 346212893 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346734310 /nfs/dbraw/zinc/73/43/10/346734310.db2.gz SYEMZOJCMQTRAM-SOUVJXGZSA-N 1 2 244.313 2.728 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1sccc1Cl ZINC000308228217 346753893 /nfs/dbraw/zinc/75/38/93/346753893.db2.gz FRAOFTSYNOBLMQ-SSDOTTSWSA-N 1 2 214.721 2.793 20 30 BFEDLO CC[N@H+](CC#N)C[C@H](C)c1ccccc1 ZINC000116877931 347141010 /nfs/dbraw/zinc/14/10/10/347141010.db2.gz HJVYZUIINPPYTB-LBPRGKRZSA-N 1 2 202.301 2.636 20 30 BFEDLO CC[N@@H+](CC#N)C[C@H](C)c1ccccc1 ZINC000116877931 347141012 /nfs/dbraw/zinc/14/10/12/347141012.db2.gz HJVYZUIINPPYTB-LBPRGKRZSA-N 1 2 202.301 2.636 20 30 BFEDLO CC#CCCCC(=O)Nc1cc[nH+]cc1C ZINC000185501826 347202948 /nfs/dbraw/zinc/20/29/48/347202948.db2.gz CBUQZKNZZLYFFW-UHFFFAOYSA-N 1 2 216.284 2.522 20 30 BFEDLO N#CCC[N@H+](CC#Cc1ccccc1)CC1CC1 ZINC000192054571 347366630 /nfs/dbraw/zinc/36/66/30/347366630.db2.gz LHYBKIVHXDKAKG-UHFFFAOYSA-N 1 2 238.334 2.664 20 30 BFEDLO N#CCC[N@@H+](CC#Cc1ccccc1)CC1CC1 ZINC000192054571 347366632 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/nfs/dbraw/zinc/49/43/04/384494304.db2.gz CWFSFJVVJVFNGO-LBPRGKRZSA-N 1 2 248.326 2.593 20 30 BFEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000363478789 384494308 /nfs/dbraw/zinc/49/43/08/384494308.db2.gz CWFSFJVVJVFNGO-LBPRGKRZSA-N 1 2 248.326 2.593 20 30 BFEDLO C=C(Br)C[N@H+]1CC=C(C)CC1 ZINC000270344393 384531262 /nfs/dbraw/zinc/53/12/62/384531262.db2.gz ONFHEBDWZJFIIQ-UHFFFAOYSA-N 1 2 216.122 2.547 20 30 BFEDLO C=C(Br)C[N@@H+]1CC=C(C)CC1 ZINC000270344393 384531267 /nfs/dbraw/zinc/53/12/67/384531267.db2.gz ONFHEBDWZJFIIQ-UHFFFAOYSA-N 1 2 216.122 2.547 20 30 BFEDLO Cc1cc(C[N@@H+]2Cc3cccnc3C2)ccc1C#N ZINC000564881419 384583152 /nfs/dbraw/zinc/58/31/52/384583152.db2.gz UYSRNGLCIDPSML-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO Cc1cc(C[N@H+]2Cc3cccnc3C2)ccc1C#N ZINC000564881419 384583160 /nfs/dbraw/zinc/58/31/60/384583160.db2.gz UYSRNGLCIDPSML-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c(C)[nH+]1 ZINC000309816109 384644260 /nfs/dbraw/zinc/64/42/60/384644260.db2.gz AWARURRGJSJPNB-RYUDHWBXSA-N 1 2 215.300 2.803 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(F)cc1F ZINC000051017416 384655023 /nfs/dbraw/zinc/65/50/23/384655023.db2.gz IXQASIKTXORZJT-LLVKDONJSA-N 1 2 224.254 2.747 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(F)c1F ZINC000082522983 384688261 /nfs/dbraw/zinc/68/82/61/384688261.db2.gz FLYQUHOGKCDNBC-SNVBAGLBSA-N 1 2 224.254 2.747 20 30 BFEDLO CC(C)CC[N@H+](CCC#N)Cc1ccccn1 ZINC000173548801 384691071 /nfs/dbraw/zinc/69/10/71/384691071.db2.gz CUMAASMLMCKRRK-UHFFFAOYSA-N 1 2 231.343 2.843 20 30 BFEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccccn1 ZINC000173548801 384691078 /nfs/dbraw/zinc/69/10/78/384691078.db2.gz CUMAASMLMCKRRK-UHFFFAOYSA-N 1 2 231.343 2.843 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccccc1OC(F)F ZINC000083219244 384752252 /nfs/dbraw/zinc/75/22/52/384752252.db2.gz YAVGRKHGYIZPOJ-UHFFFAOYSA-N 1 2 240.253 2.633 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccccc1OC(F)F ZINC000083219244 384752256 /nfs/dbraw/zinc/75/22/56/384752256.db2.gz YAVGRKHGYIZPOJ-UHFFFAOYSA-N 1 2 240.253 2.633 20 30 BFEDLO COc1ccc([C@H](C)[N@H+](C)CCC#N)cc1 ZINC000073986207 384767425 /nfs/dbraw/zinc/76/74/25/384767425.db2.gz MYAAKHQNEXPEMW-NSHDSACASA-N 1 2 218.300 2.602 20 30 BFEDLO COc1ccc([C@H](C)[N@@H+](C)CCC#N)cc1 ZINC000073986207 384767430 /nfs/dbraw/zinc/76/74/30/384767430.db2.gz MYAAKHQNEXPEMW-NSHDSACASA-N 1 2 218.300 2.602 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000042207618 384767341 /nfs/dbraw/zinc/76/73/41/384767341.db2.gz VNVUWSVGGLVHBG-MRVPVSSYSA-N 1 2 228.748 2.993 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042207618 384767344 /nfs/dbraw/zinc/76/73/44/384767344.db2.gz VNVUWSVGGLVHBG-MRVPVSSYSA-N 1 2 228.748 2.993 20 30 BFEDLO COc1c(C)cc(C[N@H+](C)CCC#N)cc1C ZINC000101566505 384797217 /nfs/dbraw/zinc/79/72/17/384797217.db2.gz HBTNGSSGVWYWLQ-UHFFFAOYSA-N 1 2 232.327 2.658 20 30 BFEDLO COc1c(C)cc(C[N@@H+](C)CCC#N)cc1C ZINC000101566505 384797224 /nfs/dbraw/zinc/79/72/24/384797224.db2.gz HBTNGSSGVWYWLQ-UHFFFAOYSA-N 1 2 232.327 2.658 20 30 BFEDLO Cc1nc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(C)s1 ZINC000336145095 384925053 /nfs/dbraw/zinc/92/50/53/384925053.db2.gz UQAOIPOSDFLYHG-MNOVXSKESA-N 1 2 235.356 2.542 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000177474907 385032100 /nfs/dbraw/zinc/03/21/00/385032100.db2.gz CUZALXZRJRREIC-JTQLQIEISA-N 1 2 240.372 2.858 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000177474907 385032105 /nfs/dbraw/zinc/03/21/05/385032105.db2.gz CUZALXZRJRREIC-JTQLQIEISA-N 1 2 240.372 2.858 20 30 BFEDLO C=C(C)C[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000644722327 385140591 /nfs/dbraw/zinc/14/05/91/385140591.db2.gz MNKCIJPIDQHNSV-UHFFFAOYSA-N 1 2 243.257 2.552 20 30 BFEDLO C=CC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246369820 385149974 /nfs/dbraw/zinc/14/99/74/385149974.db2.gz GTPAVAFUIBFXEQ-PWSUYJOCSA-N 1 2 223.341 2.696 20 30 BFEDLO C=CC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246369820 385149975 /nfs/dbraw/zinc/14/99/75/385149975.db2.gz GTPAVAFUIBFXEQ-PWSUYJOCSA-N 1 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BFEDLO CC#CC[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000247488199 385342651 /nfs/dbraw/zinc/34/26/51/385342651.db2.gz KSQVUYHHPQPSJR-GDBMZVCRSA-N 1 2 243.350 2.780 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000155081372 385374563 /nfs/dbraw/zinc/37/45/63/385374563.db2.gz OQEFSGIFKPXEEN-BYXJKBEYSA-N 1 2 245.322 2.769 20 30 BFEDLO C[C@H]([NH2+]CCC#N)c1ccc(F)c(F)c1 ZINC000020199809 385422654 /nfs/dbraw/zinc/42/26/54/385422654.db2.gz NMERTHQRNQDZTC-QMMMGPOBSA-N 1 2 210.227 2.529 20 30 BFEDLO COc1cccc(/C=[NH+]/CCCCC#N)c1O ZINC000171417190 385482882 /nfs/dbraw/zinc/48/28/82/385482882.db2.gz ATBRNEBJBCOOGD-XNTDXEJSSA-N 1 2 232.283 2.514 20 30 BFEDLO C=CCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000308217192 385537855 /nfs/dbraw/zinc/53/78/55/385537855.db2.gz APDAZKULLSJCJR-UHFFFAOYSA-N 1 2 216.737 2.804 20 30 BFEDLO C=CCC[N@H+](C)Cc1ncc(Cl)s1 ZINC000308217192 385537858 /nfs/dbraw/zinc/53/78/58/385537858.db2.gz APDAZKULLSJCJR-UHFFFAOYSA-N 1 2 216.737 2.804 20 30 BFEDLO Cc1cc(NC(=O)c2sccc2C#N)cc[nH+]1 ZINC000128932593 385623931 /nfs/dbraw/zinc/62/39/31/385623931.db2.gz PBZPLUDUEBQPKH-UHFFFAOYSA-N 1 2 243.291 2.576 20 30 BFEDLO CCc1nc([C@H](C)[NH2+]CC2(C#N)CC2)cs1 ZINC000309481662 385608172 /nfs/dbraw/zinc/60/81/72/385608172.db2.gz UBPYHJSIKUTGMS-VIFPVBQESA-N 1 2 235.356 2.660 20 30 BFEDLO CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)C#N ZINC000595821657 385639126 /nfs/dbraw/zinc/63/91/26/385639126.db2.gz YPTHKBDQNRKDJO-GFCCVEGCSA-N 1 2 221.348 2.940 20 30 BFEDLO CC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)C#N ZINC000595821657 385639131 /nfs/dbraw/zinc/63/91/31/385639131.db2.gz YPTHKBDQNRKDJO-GFCCVEGCSA-N 1 2 221.348 2.940 20 30 BFEDLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCCC#N ZINC000283650750 385827187 /nfs/dbraw/zinc/82/71/87/385827187.db2.gz BFLDGMCDYXWFOU-SNVBAGLBSA-N 1 2 237.734 2.822 20 30 BFEDLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCCC#N ZINC000283650750 385827191 /nfs/dbraw/zinc/82/71/91/385827191.db2.gz BFLDGMCDYXWFOU-SNVBAGLBSA-N 1 2 237.734 2.822 20 30 BFEDLO Cc1ccc(NCc2cccc(C#N)c2)c[nH+]1 ZINC000083352700 385940602 /nfs/dbraw/zinc/94/06/02/385940602.db2.gz BLDCSPRORGCDPP-UHFFFAOYSA-N 1 2 223.279 2.874 20 30 BFEDLO CC(C)C1(c2ccccc2)C[NH+](CCC#N)C1 ZINC000414183780 386026290 /nfs/dbraw/zinc/02/62/90/386026290.db2.gz NNCJQFLHMGENIK-UHFFFAOYSA-N 1 2 228.339 2.810 20 30 BFEDLO COc1cc(C[N@@H+]2CCC[C@H](F)C2)ccc1C#N ZINC000572608511 386306128 /nfs/dbraw/zinc/30/61/28/386306128.db2.gz GUWHBTBIHOPHEE-ZDUSSCGKSA-N 1 2 248.301 2.501 20 30 BFEDLO COc1cc(C[N@H+]2CCC[C@H](F)C2)ccc1C#N ZINC000572608511 386306132 /nfs/dbraw/zinc/30/61/32/386306132.db2.gz GUWHBTBIHOPHEE-ZDUSSCGKSA-N 1 2 248.301 2.501 20 30 BFEDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(F)cc1C#N ZINC000334495087 386374565 /nfs/dbraw/zinc/37/45/65/386374565.db2.gz BXMZUWMMRWISFV-AOOOYVTPSA-N 1 2 218.275 2.680 20 30 BFEDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(F)cc1C#N ZINC000334495087 386374570 /nfs/dbraw/zinc/37/45/70/386374570.db2.gz BXMZUWMMRWISFV-AOOOYVTPSA-N 1 2 218.275 2.680 20 30 BFEDLO CC#CC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347505691 386425438 /nfs/dbraw/zinc/42/54/38/386425438.db2.gz WKHDGQGVMZBJPJ-UHFFFAOYSA-N 1 2 238.334 2.870 20 30 BFEDLO CC#CC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347505691 386425441 /nfs/dbraw/zinc/42/54/41/386425441.db2.gz WKHDGQGVMZBJPJ-UHFFFAOYSA-N 1 2 238.334 2.870 20 30 BFEDLO C=CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000519407667 386435248 /nfs/dbraw/zinc/43/52/48/386435248.db2.gz USPBWRBDYLPUSC-QWHCGFSZSA-N 1 2 249.358 2.695 20 30 BFEDLO C=CCCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287175192 386529008 /nfs/dbraw/zinc/52/90/08/386529008.db2.gz SVIOCOZQRFBUNA-UHFFFAOYSA-N 1 2 249.358 2.595 20 30 BFEDLO C=CCC(C)(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000645406685 386485383 /nfs/dbraw/zinc/48/53/83/386485383.db2.gz PXLPKACRSFECNV-UHFFFAOYSA-N 1 2 243.310 2.875 20 30 BFEDLO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CC#N)C2)cc1 ZINC000278410876 386523415 /nfs/dbraw/zinc/52/34/15/386523415.db2.gz HMTRLYOJJJDNJS-OCCSQVGLSA-N 1 2 214.312 2.696 20 30 BFEDLO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC#N)C2)cc1 ZINC000278410876 386523420 /nfs/dbraw/zinc/52/34/20/386523420.db2.gz HMTRLYOJJJDNJS-OCCSQVGLSA-N 1 2 214.312 2.696 20 30 BFEDLO Cc1[nH]c(C(=O)NCCC2=CCCCC2)c[nH+]1 ZINC000330372931 386677152 /nfs/dbraw/zinc/67/71/52/386677152.db2.gz KQSMKMYLAAHKMJ-UHFFFAOYSA-N 1 2 233.315 2.913 20 30 BFEDLO CNc1ccc(Nc2cccc(F)c2C#N)c[nH+]1 ZINC000301149648 386820603 /nfs/dbraw/zinc/82/06/03/386820603.db2.gz NXWABKPCYDAYRX-UHFFFAOYSA-N 1 2 242.257 2.878 20 30 BFEDLO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399543415 386991714 /nfs/dbraw/zinc/99/17/14/386991714.db2.gz XSVHUBXJAZZJLQ-GHMZBOCLSA-N 1 2 229.327 2.744 20 30 BFEDLO Cc1cc(N2CC[C@@H](C)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399437041 387099958 /nfs/dbraw/zinc/09/99/58/387099958.db2.gz NHQJLUYMELHEND-MNOVXSKESA-N 1 2 229.327 2.744 20 30 BFEDLO C=CC[C@H](CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000572200648 387264215 /nfs/dbraw/zinc/26/42/15/387264215.db2.gz NQJGPBGGALHASQ-LBPRGKRZSA-N 1 2 247.342 2.597 20 30 BFEDLO Cc1[nH]c(CNc2ccc(CC#N)cc2)[nH+]c1C ZINC000514678870 387346435 /nfs/dbraw/zinc/34/64/35/387346435.db2.gz WBQARRFLFAOQSU-UHFFFAOYSA-N 1 2 240.310 2.705 20 30 BFEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCC#N ZINC000611554229 387346905 /nfs/dbraw/zinc/34/69/05/387346905.db2.gz IGLYOVULRGFRBM-RKDXNWHRSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCC#N ZINC000611554229 387346909 /nfs/dbraw/zinc/34/69/09/387346909.db2.gz IGLYOVULRGFRBM-RKDXNWHRSA-N 1 2 220.238 2.563 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cc(-c2cccs2)on1 ZINC000267252118 387408806 /nfs/dbraw/zinc/40/88/06/387408806.db2.gz GVIDLVGTOGNFEO-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C#CC[N@H+](CC)Cc1cc(-c2cccs2)on1 ZINC000267252118 387408813 /nfs/dbraw/zinc/40/88/13/387408813.db2.gz GVIDLVGTOGNFEO-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C#CC[N@@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000276913632 387525157 /nfs/dbraw/zinc/52/51/57/387525157.db2.gz GEYGEGAZRFLAQF-UHFFFAOYSA-N 1 2 240.306 2.715 20 30 BFEDLO C#CC[N@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000276913632 387525160 /nfs/dbraw/zinc/52/51/60/387525160.db2.gz GEYGEGAZRFLAQF-UHFFFAOYSA-N 1 2 240.306 2.715 20 30 BFEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC#Cc1ccccc1 ZINC000276750827 387540135 /nfs/dbraw/zinc/54/01/35/387540135.db2.gz FPOABDBYNUKKNC-ZBFHGGJFSA-N 1 2 243.350 2.537 20 30 BFEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC#Cc1ccccc1 ZINC000276750827 387540141 /nfs/dbraw/zinc/54/01/41/387540141.db2.gz FPOABDBYNUKKNC-ZBFHGGJFSA-N 1 2 243.350 2.537 20 30 BFEDLO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccn1 ZINC000527537659 387605965 /nfs/dbraw/zinc/60/59/65/387605965.db2.gz DVANSMREBQOEPA-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccn1 ZINC000527537659 387605970 /nfs/dbraw/zinc/60/59/70/387605970.db2.gz DVANSMREBQOEPA-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)C(C)C)ccn1 ZINC000527532120 387623270 /nfs/dbraw/zinc/62/32/70/387623270.db2.gz AXGDZKRJVINLMJ-UHFFFAOYSA-N 1 2 217.316 2.514 20 30 BFEDLO Cc1cc(C[N@H+](CCC#N)C(C)C)ccn1 ZINC000527532120 387623273 /nfs/dbraw/zinc/62/32/73/387623273.db2.gz AXGDZKRJVINLMJ-UHFFFAOYSA-N 1 2 217.316 2.514 20 30 BFEDLO CCCc1csc(C[NH2+][C@H]2CCC[C@@H]2C#N)n1 ZINC000426356926 387557992 /nfs/dbraw/zinc/55/79/92/387557992.db2.gz NOEFRLAOSIANTO-PWSUYJOCSA-N 1 2 249.383 2.877 20 30 BFEDLO CC#CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000125898487 387666094 /nfs/dbraw/zinc/66/60/94/387666094.db2.gz OVVJXOARWUTLRI-UHFFFAOYSA-N 1 2 217.316 2.734 20 30 BFEDLO N#CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000081044077 387767852 /nfs/dbraw/zinc/76/78/52/387767852.db2.gz MPKXOTCDCGTVRC-UHFFFAOYSA-N 1 2 220.238 2.564 20 30 BFEDLO N#CCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000081044077 387767856 /nfs/dbraw/zinc/76/78/56/387767856.db2.gz MPKXOTCDCGTVRC-UHFFFAOYSA-N 1 2 220.238 2.564 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334268 387804258 /nfs/dbraw/zinc/80/42/58/387804258.db2.gz MJCWTQOVQUMAEK-NSHDSACASA-N 1 2 247.342 2.760 20 30 BFEDLO C=CCCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452331042 387804417 /nfs/dbraw/zinc/80/44/17/387804417.db2.gz BXKGEJHNKWEMPY-UHFFFAOYSA-N 1 2 233.315 2.514 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442813559 387846052 /nfs/dbraw/zinc/84/60/52/387846052.db2.gz SSAOSUFWIPTCAL-MNOVXSKESA-N 1 2 235.331 2.579 20 30 BFEDLO C=CCCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000175485807 387906253 /nfs/dbraw/zinc/90/62/53/387906253.db2.gz LNMRDAUVIKZUSU-LBPRGKRZSA-N 1 2 247.342 2.820 20 30 BFEDLO CCSCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444735351 387917713 /nfs/dbraw/zinc/91/77/13/387917713.db2.gz ZLOXABPYYNKIGF-LLVKDONJSA-N 1 2 226.389 2.754 20 30 BFEDLO CCSCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444735351 387917716 /nfs/dbraw/zinc/91/77/16/387917716.db2.gz ZLOXABPYYNKIGF-LLVKDONJSA-N 1 2 226.389 2.754 20 30 BFEDLO C=C(CC)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000455434725 388159842 /nfs/dbraw/zinc/15/98/42/388159842.db2.gz HFTDBTFRCCMUKR-UHFFFAOYSA-N 1 2 233.315 2.786 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(C)cc1OC ZINC000449010950 388128067 /nfs/dbraw/zinc/12/80/67/388128067.db2.gz NQSIIUTUKDGNOC-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(C)cc1OC ZINC000449010950 388128069 /nfs/dbraw/zinc/12/80/69/388128069.db2.gz NQSIIUTUKDGNOC-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO C#CC[N@@H+](CC)Cc1ccn(C(CC)CC)n1 ZINC000490865319 388257287 /nfs/dbraw/zinc/25/72/87/388257287.db2.gz APGCVGMNOFNKEK-UHFFFAOYSA-N 1 2 233.359 2.699 20 30 BFEDLO C#CC[N@H+](CC)Cc1ccn(C(CC)CC)n1 ZINC000490865319 388257289 /nfs/dbraw/zinc/25/72/89/388257289.db2.gz APGCVGMNOFNKEK-UHFFFAOYSA-N 1 2 233.359 2.699 20 30 BFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456419744 388200460 /nfs/dbraw/zinc/20/04/60/388200460.db2.gz MAYLNOKWLOMDLD-GHMZBOCLSA-N 1 2 247.342 2.607 20 30 BFEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456434585 388201427 /nfs/dbraw/zinc/20/14/27/388201427.db2.gz VBTHXLUPISWKBK-JTNHKYCSSA-N 1 2 247.342 2.607 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000489391399 388210450 /nfs/dbraw/zinc/21/04/50/388210450.db2.gz ABJPEMSQRAJHOX-SNVBAGLBSA-N 1 2 241.285 2.819 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000489391399 388210453 /nfs/dbraw/zinc/21/04/53/388210453.db2.gz ABJPEMSQRAJHOX-SNVBAGLBSA-N 1 2 241.285 2.819 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(CCC)cs1 ZINC000491373006 388289349 /nfs/dbraw/zinc/28/93/49/388289349.db2.gz LOCGXKHDFLQLRL-JTQLQIEISA-N 1 2 222.357 2.549 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1nc(CCC)cs1 ZINC000491373006 388289351 /nfs/dbraw/zinc/28/93/51/388289351.db2.gz LOCGXKHDFLQLRL-JTQLQIEISA-N 1 2 222.357 2.549 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000491439995 388294745 /nfs/dbraw/zinc/29/47/45/388294745.db2.gz MPFQKJJEKSQMAE-GFCCVEGCSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000491439995 388294746 /nfs/dbraw/zinc/29/47/46/388294746.db2.gz MPFQKJJEKSQMAE-GFCCVEGCSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000491441648 388294769 /nfs/dbraw/zinc/29/47/69/388294769.db2.gz XCOSPEMGEMNSBY-QMMMGPOBSA-N 1 2 243.137 2.842 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000491441648 388294771 /nfs/dbraw/zinc/29/47/71/388294771.db2.gz XCOSPEMGEMNSBY-QMMMGPOBSA-N 1 2 243.137 2.842 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000491617488 388304874 /nfs/dbraw/zinc/30/48/74/388304874.db2.gz BJCPCQXEBDHCCD-SNVBAGLBSA-N 1 2 236.384 2.894 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000491617488 388304875 /nfs/dbraw/zinc/30/48/75/388304875.db2.gz BJCPCQXEBDHCCD-SNVBAGLBSA-N 1 2 236.384 2.894 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cn1ccn(C(C)C)c1=S ZINC000491699072 388312270 /nfs/dbraw/zinc/31/22/70/388312270.db2.gz IIUZZWQLESHMIL-LLVKDONJSA-N 1 2 237.372 2.511 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cn1ccn(C(C)C)c1=S ZINC000491699072 388312271 /nfs/dbraw/zinc/31/22/71/388312271.db2.gz IIUZZWQLESHMIL-LLVKDONJSA-N 1 2 237.372 2.511 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccn(C(CC)CC)n1 ZINC000491707645 388313491 /nfs/dbraw/zinc/31/34/91/388313491.db2.gz LVRSEAREPZMAKV-GFCCVEGCSA-N 1 2 233.359 2.698 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ccn(C(CC)CC)n1 ZINC000491707645 388313492 /nfs/dbraw/zinc/31/34/92/388313492.db2.gz LVRSEAREPZMAKV-GFCCVEGCSA-N 1 2 233.359 2.698 20 30 BFEDLO CC(F)(F)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000556229184 388351335 /nfs/dbraw/zinc/35/13/35/388351335.db2.gz KTMKPRQXLIUSKZ-GFCCVEGCSA-N 1 2 236.265 2.790 20 30 BFEDLO N#Cc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000271568174 388393354 /nfs/dbraw/zinc/39/33/54/388393354.db2.gz BECNQXFFZFZBMS-UHFFFAOYSA-N 1 2 216.259 2.617 20 30 BFEDLO N#Cc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000271568174 388393355 /nfs/dbraw/zinc/39/33/55/388393355.db2.gz BECNQXFFZFZBMS-UHFFFAOYSA-N 1 2 216.259 2.617 20 30 BFEDLO C=C(CC)C[NH2+]C(CC)(CC)C(=O)OCC ZINC000309842302 388466593 /nfs/dbraw/zinc/46/65/93/388466593.db2.gz QKACHZBZHZJKLR-UHFFFAOYSA-N 1 2 227.348 2.664 20 30 BFEDLO CCCC[C@@H](CC)C[N@@H+](CC#N)CCOC ZINC000317048618 388425530 /nfs/dbraw/zinc/42/55/30/388425530.db2.gz WKAFEWSGQHVNIC-CYBMUJFWSA-N 1 2 226.364 2.675 20 30 BFEDLO CCCC[C@@H](CC)C[N@H+](CC#N)CCOC ZINC000317048618 388425533 /nfs/dbraw/zinc/42/55/33/388425533.db2.gz WKAFEWSGQHVNIC-CYBMUJFWSA-N 1 2 226.364 2.675 20 30 BFEDLO CCCC[C@H](CC)C[N@@H+](CC#N)CCOC ZINC000317048619 388425806 /nfs/dbraw/zinc/42/58/06/388425806.db2.gz WKAFEWSGQHVNIC-ZDUSSCGKSA-N 1 2 226.364 2.675 20 30 BFEDLO CCCC[C@H](CC)C[N@H+](CC#N)CCOC ZINC000317048619 388425807 /nfs/dbraw/zinc/42/58/07/388425807.db2.gz WKAFEWSGQHVNIC-ZDUSSCGKSA-N 1 2 226.364 2.675 20 30 BFEDLO C[C@@]1(F)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000296191202 388600924 /nfs/dbraw/zinc/60/09/24/388600924.db2.gz YLDZXQCMUSKBDY-CQSZACIVSA-N 1 2 232.302 2.882 20 30 BFEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000296191202 388600925 /nfs/dbraw/zinc/60/09/25/388600925.db2.gz YLDZXQCMUSKBDY-CQSZACIVSA-N 1 2 232.302 2.882 20 30 BFEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1ccccn1 ZINC000245730266 388601778 /nfs/dbraw/zinc/60/17/78/388601778.db2.gz CDBOQQWWBPHUAZ-NWDGAFQWSA-N 1 2 217.316 2.624 20 30 BFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1ccccn1 ZINC000245730266 388601780 /nfs/dbraw/zinc/60/17/80/388601780.db2.gz CDBOQQWWBPHUAZ-NWDGAFQWSA-N 1 2 217.316 2.624 20 30 BFEDLO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CC#N ZINC000528743248 388564738 /nfs/dbraw/zinc/56/47/38/388564738.db2.gz RQZJGHZMFXIUNX-CYBMUJFWSA-N 1 2 232.302 2.917 20 30 BFEDLO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CC#N ZINC000528743248 388564739 /nfs/dbraw/zinc/56/47/39/388564739.db2.gz RQZJGHZMFXIUNX-CYBMUJFWSA-N 1 2 232.302 2.917 20 30 BFEDLO C=CCCC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000183445079 388569956 /nfs/dbraw/zinc/56/99/56/388569956.db2.gz LQOZSRJUVKRBIO-JTQLQIEISA-N 1 2 245.330 2.520 20 30 BFEDLO CC1(C#N)C[NH+](CCCCc2ccccc2)C1 ZINC000522010661 388674544 /nfs/dbraw/zinc/67/45/44/388674544.db2.gz BUBLHPSWXXGEME-UHFFFAOYSA-N 1 2 228.339 2.855 20 30 BFEDLO C=C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000129298743 388830318 /nfs/dbraw/zinc/83/03/18/388830318.db2.gz JDXLJSROYHSTNC-QMMMGPOBSA-N 1 2 203.289 2.649 20 30 BFEDLO Cc1cc2ccccc2[nH+]c1NCCCC#N ZINC000541331524 388850086 /nfs/dbraw/zinc/85/00/86/388850086.db2.gz FDBZZTWPZPVVRT-UHFFFAOYSA-N 1 2 225.295 2.681 20 30 BFEDLO N#CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000273343730 389040115 /nfs/dbraw/zinc/04/01/15/389040115.db2.gz OCGYPYUALGLVGQ-UHFFFAOYSA-N 1 2 229.205 2.816 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1scnc1C1CC1 ZINC000495000084 533395349 /nfs/dbraw/zinc/39/53/49/533395349.db2.gz WGOYICXQEPNPEW-VIFPVBQESA-N 1 2 235.356 2.754 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1scnc1C1CC1 ZINC000495000084 533395350 /nfs/dbraw/zinc/39/53/50/533395350.db2.gz WGOYICXQEPNPEW-VIFPVBQESA-N 1 2 235.356 2.754 20 30 BFEDLO C[N@H+](CC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000335996924 134042655 /nfs/dbraw/zinc/04/26/55/134042655.db2.gz CNFPZFNNXDLTIT-ZIAGYGMSSA-N 1 2 248.301 2.501 20 30 BFEDLO C[N@@H+](CC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000335996924 134042656 /nfs/dbraw/zinc/04/26/56/134042656.db2.gz CNFPZFNNXDLTIT-ZIAGYGMSSA-N 1 2 248.301 2.501 20 30 BFEDLO C=C(C)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000336498658 134148562 /nfs/dbraw/zinc/14/85/62/134148562.db2.gz SQQXQPPUJRDBCE-LSDHHAIUSA-N 1 2 248.370 2.880 20 30 BFEDLO C=C(C)CC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000336498658 134148563 /nfs/dbraw/zinc/14/85/63/134148563.db2.gz SQQXQPPUJRDBCE-LSDHHAIUSA-N 1 2 248.370 2.880 20 30 BFEDLO C=CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301892097 134156953 /nfs/dbraw/zinc/15/69/53/134156953.db2.gz RSKRGOOJUSJMTC-UHFFFAOYSA-N 1 2 227.311 2.965 20 30 BFEDLO C=C(C)CN(CC)c1cc(NCC2CC2)[nH+]cn1 ZINC000301842373 134156999 /nfs/dbraw/zinc/15/69/99/134156999.db2.gz ZUMGSQQECYXSAH-UHFFFAOYSA-N 1 2 246.358 2.701 20 30 BFEDLO C=C(C)CN(CC)c1cc(NCC2CC2)nc[nH+]1 ZINC000301842373 134157000 /nfs/dbraw/zinc/15/70/00/134157000.db2.gz ZUMGSQQECYXSAH-UHFFFAOYSA-N 1 2 246.358 2.701 20 30 BFEDLO Cc1ncsc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354026562 134166053 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/nfs/dbraw/zinc/21/08/27/134210827.db2.gz CFERKHMWQJABHA-AWEZNQCLSA-N 1 2 234.318 2.848 20 30 BFEDLO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC#N ZINC000362396655 134210828 /nfs/dbraw/zinc/21/08/28/134210828.db2.gz CFERKHMWQJABHA-AWEZNQCLSA-N 1 2 234.318 2.848 20 30 BFEDLO C=CC[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000116873584 134219284 /nfs/dbraw/zinc/21/92/84/134219284.db2.gz XSDWLHXROQDOQC-SNVBAGLBSA-N 1 2 205.305 2.977 20 30 BFEDLO C=C(Cl)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000377645398 134244572 /nfs/dbraw/zinc/24/45/72/134244572.db2.gz PMVWJDURIRQJDU-WDEREUQCSA-N 1 2 229.751 2.628 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000377645398 134244573 /nfs/dbraw/zinc/24/45/73/134244573.db2.gz PMVWJDURIRQJDU-WDEREUQCSA-N 1 2 229.751 2.628 20 30 BFEDLO C#CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000173816689 134277361 /nfs/dbraw/zinc/27/73/61/134277361.db2.gz WGHPQXTZHDZFMH-NSHDSACASA-N 1 2 226.279 2.625 20 30 BFEDLO CC[C@@H]([NH2+]CC#N)C(C)(C)c1ccccc1 ZINC000180003160 134325673 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/nfs/dbraw/zinc/41/60/89/411416089.db2.gz LLNNJCKDYMZWCG-SNVBAGLBSA-N 1 2 218.300 2.712 20 30 BFEDLO C=CCN(c1[nH+]ccc2c(N)cccc21)C1CC1 ZINC000663770531 411743648 /nfs/dbraw/zinc/74/36/48/411743648.db2.gz XGLJMPQRXBQQTL-UHFFFAOYSA-N 1 2 239.322 2.972 20 30 BFEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000661419055 411771639 /nfs/dbraw/zinc/77/16/39/411771639.db2.gz MWUBWIPXQIQWAD-UWVGGRQHSA-N 1 2 208.330 2.596 20 30 BFEDLO C=CC[N@@H+](Cc1nnc(C)s1)C(C)(C)C ZINC000661760222 411872208 /nfs/dbraw/zinc/87/22/08/411872208.db2.gz ODHJOAJTKXXUBV-UHFFFAOYSA-N 1 2 225.361 2.633 20 30 BFEDLO C=CC[N@H+](Cc1nnc(C)s1)C(C)(C)C ZINC000661760222 411872211 /nfs/dbraw/zinc/87/22/11/411872211.db2.gz ODHJOAJTKXXUBV-UHFFFAOYSA-N 1 2 225.361 2.633 20 30 BFEDLO C=C(CC)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662228997 412033067 /nfs/dbraw/zinc/03/30/67/412033067.db2.gz NWWUXHSGOWKEOR-SNVBAGLBSA-N 1 2 237.265 2.606 20 30 BFEDLO C=C(CC)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662228997 412033070 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/nfs/dbraw/zinc/76/70/40/487767040.db2.gz OZOCMJTXLIQWTH-GFCCVEGCSA-N 1 2 206.333 2.801 20 30 BFEDLO C[C@H](C#N)[N@H+](C)C1CC(C)(C)OC(C)(C)C1 ZINC001172660193 974899375 /nfs/dbraw/zinc/89/93/75/974899375.db2.gz PWASVKYOSHVSNW-SNVBAGLBSA-N 1 2 224.348 2.566 20 30 BFEDLO C[C@H](C#N)[N@@H+](C)C1CC(C)(C)OC(C)(C)C1 ZINC001172660193 974899381 /nfs/dbraw/zinc/89/93/81/974899381.db2.gz PWASVKYOSHVSNW-SNVBAGLBSA-N 1 2 224.348 2.566 20 30 BFEDLO C=CC[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000681696609 487841564 /nfs/dbraw/zinc/84/15/64/487841564.db2.gz JFPSNNQEWGVOQT-UHFFFAOYSA-N 1 2 245.301 2.629 20 30 BFEDLO C=CC[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000681696609 487841572 /nfs/dbraw/zinc/84/15/72/487841572.db2.gz JFPSNNQEWGVOQT-UHFFFAOYSA-N 1 2 245.301 2.629 20 30 BFEDLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(C#N)cc1 ZINC000562496625 323021933 /nfs/dbraw/zinc/02/19/33/323021933.db2.gz YUSIKMBVDLQILP-CQSZACIVSA-N 1 2 240.310 2.522 20 30 BFEDLO CC(C)(C#N)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000160733539 323104097 /nfs/dbraw/zinc/10/40/97/323104097.db2.gz VSCMQEUBXPNQQI-CYBMUJFWSA-N 1 2 214.312 2.778 20 30 BFEDLO CC(C)(C#N)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000160733539 323104098 /nfs/dbraw/zinc/10/40/98/323104098.db2.gz VSCMQEUBXPNQQI-CYBMUJFWSA-N 1 2 214.312 2.778 20 30 BFEDLO CC#CC[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000339761014 323119414 /nfs/dbraw/zinc/11/94/14/323119414.db2.gz ZCWYPCZPJIGTOB-UHFFFAOYSA-N 1 2 242.244 2.556 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000339761014 323119415 /nfs/dbraw/zinc/11/94/15/323119415.db2.gz ZCWYPCZPJIGTOB-UHFFFAOYSA-N 1 2 242.244 2.556 20 30 BFEDLO CSc1cccc(F)c1C[NH2+]CCC#N ZINC000571316158 323141256 /nfs/dbraw/zinc/14/12/56/323141256.db2.gz WMJMHJJKCUFTIA-UHFFFAOYSA-N 1 2 224.304 2.551 20 30 BFEDLO CC(C)n1cc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000536645326 323199491 /nfs/dbraw/zinc/19/94/91/323199491.db2.gz NUOCAJGITYYGIU-UHFFFAOYSA-N 1 2 234.347 2.588 20 30 BFEDLO CC(C)n1cc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000536645326 323199492 /nfs/dbraw/zinc/19/94/92/323199492.db2.gz NUOCAJGITYYGIU-UHFFFAOYSA-N 1 2 234.347 2.588 20 30 BFEDLO C=C(CC)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000544475165 325144615 /nfs/dbraw/zinc/14/46/15/325144615.db2.gz LVGSBTKDSCPTTD-LBPRGKRZSA-N 1 2 241.375 2.909 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1ccccc1OCC1CC1 ZINC000544597339 325151028 /nfs/dbraw/zinc/15/10/28/325151028.db2.gz APDONNHVELILQD-GFCCVEGCSA-N 1 2 244.338 2.725 20 30 BFEDLO C=CCCCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000545330192 325214533 /nfs/dbraw/zinc/21/45/33/325214533.db2.gz WFDBACJMOZLBGV-UHFFFAOYSA-N 1 2 247.342 2.598 20 30 BFEDLO N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2F)o1 ZINC000135178126 325398764 /nfs/dbraw/zinc/39/87/64/325398764.db2.gz UFKSUJCGQKMFLE-UHFFFAOYSA-N 1 2 248.232 2.719 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)cn1 ZINC000566428673 326045635 /nfs/dbraw/zinc/04/56/35/326045635.db2.gz JKOYBWPGNYMOTC-SNVBAGLBSA-N 1 2 223.707 2.517 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000488344911 533717050 /nfs/dbraw/zinc/71/70/50/533717050.db2.gz GROHFXZTOWFAER-VXGBXAGGSA-N 1 2 218.300 2.651 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000488344911 533717060 /nfs/dbraw/zinc/71/70/60/533717060.db2.gz GROHFXZTOWFAER-VXGBXAGGSA-N 1 2 218.300 2.651 20 30 BFEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1F ZINC000683020238 488095822 /nfs/dbraw/zinc/09/58/22/488095822.db2.gz NFPWWMYMYFATIN-UKRRQHHQSA-N 1 2 231.314 2.718 20 30 BFEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1F ZINC000683020238 488095824 /nfs/dbraw/zinc/09/58/24/488095824.db2.gz NFPWWMYMYFATIN-UKRRQHHQSA-N 1 2 231.314 2.718 20 30 BFEDLO C=C(CC)C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000678624714 488273876 /nfs/dbraw/zinc/27/38/76/488273876.db2.gz MQOSRMPGXUOIKW-UWVGGRQHSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C(CC)C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000678624714 488273878 /nfs/dbraw/zinc/27/38/78/488273878.db2.gz MQOSRMPGXUOIKW-UWVGGRQHSA-N 1 2 237.265 2.604 20 30 BFEDLO C=CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC000678881215 488293314 /nfs/dbraw/zinc/29/33/14/488293314.db2.gz AEXUYPPWIJVCHD-ZDUSSCGKSA-N 1 2 249.358 2.524 20 30 BFEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1F ZINC000679221733 488319659 /nfs/dbraw/zinc/31/96/59/488319659.db2.gz LPYSJTWADCLSHT-DOMZBBRYSA-N 1 2 249.304 2.857 20 30 BFEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1F ZINC000679221733 488319660 /nfs/dbraw/zinc/31/96/60/488319660.db2.gz LPYSJTWADCLSHT-DOMZBBRYSA-N 1 2 249.304 2.857 20 30 BFEDLO C=C1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000272938090 534467116 /nfs/dbraw/zinc/46/71/16/534467116.db2.gz WMJWCYHEVBHCTK-UHFFFAOYSA-N 1 2 243.354 2.820 20 30 BFEDLO C=CCCCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119711477 534702431 /nfs/dbraw/zinc/70/24/31/534702431.db2.gz AMCOVZBXBYENPF-UHFFFAOYSA-N 1 2 233.315 2.820 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ncc(C)s1 ZINC000180431262 534829790 /nfs/dbraw/zinc/82/97/90/534829790.db2.gz FQYRXWGQAXWDGW-UHFFFAOYSA-N 1 2 208.330 2.626 20 30 BFEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000079601379 534882758 /nfs/dbraw/zinc/88/27/58/534882758.db2.gz UVYQXWWNCWDCGQ-CYBMUJFWSA-N 1 2 244.338 2.985 20 30 BFEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000079601379 534882759 /nfs/dbraw/zinc/88/27/59/534882759.db2.gz UVYQXWWNCWDCGQ-CYBMUJFWSA-N 1 2 244.338 2.985 20 30 BFEDLO C=CCSCc1[nH+]ccn1CC(F)(F)F ZINC000349061923 534884759 /nfs/dbraw/zinc/88/47/59/534884759.db2.gz YTAGZYNWTKHGCQ-UHFFFAOYSA-N 1 2 236.262 2.865 20 30 BFEDLO CC(=O)c1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000296901560 534887813 /nfs/dbraw/zinc/88/78/13/534887813.db2.gz ZCNXJRBWLMOKTA-LLVKDONJSA-N 1 2 230.311 2.623 20 30 BFEDLO CC(=O)c1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000296901560 534887815 /nfs/dbraw/zinc/88/78/15/534887815.db2.gz ZCNXJRBWLMOKTA-LLVKDONJSA-N 1 2 230.311 2.623 20 30 BFEDLO C=C(C)CC[NH+]1CCN(C2CCCCC2)CC1 ZINC000509394096 526445285 /nfs/dbraw/zinc/44/52/85/526445285.db2.gz VFRRJODCJFYMNQ-UHFFFAOYSA-N 1 2 236.403 2.903 20 30 BFEDLO C#CC[N@H+](CCC#N)[C@@H]1CCc2ccccc21 ZINC000490763513 526900100 /nfs/dbraw/zinc/90/01/00/526900100.db2.gz SXBZKKJUVNJIAE-OAHLLOKOSA-N 1 2 224.307 2.523 20 30 BFEDLO C#CC[N@@H+](CCC#N)[C@@H]1CCc2ccccc21 ZINC000490763513 526900101 /nfs/dbraw/zinc/90/01/01/526900101.db2.gz SXBZKKJUVNJIAE-OAHLLOKOSA-N 1 2 224.307 2.523 20 30 BFEDLO C=CC[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000494706117 527574097 /nfs/dbraw/zinc/57/40/97/527574097.db2.gz DATFAJADVBVXKF-UHFFFAOYSA-N 1 2 208.330 2.638 20 30 BFEDLO C=CC[N@@H+](C)Cc1nc(C2CC2)cs1 ZINC000494706117 527574091 /nfs/dbraw/zinc/57/40/91/527574091.db2.gz DATFAJADVBVXKF-UHFFFAOYSA-N 1 2 208.330 2.638 20 30 BFEDLO CCc1nocc1C[N@H+](CCC#N)CCC(C)C ZINC000351394494 535904779 /nfs/dbraw/zinc/90/47/79/535904779.db2.gz FKMKXUKDGGYQDY-UHFFFAOYSA-N 1 2 249.358 2.999 20 30 BFEDLO CCc1nocc1C[N@@H+](CCC#N)CCC(C)C ZINC000351394494 535904782 /nfs/dbraw/zinc/90/47/82/535904782.db2.gz FKMKXUKDGGYQDY-UHFFFAOYSA-N 1 2 249.358 2.999 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1ccc(OCC)o1 ZINC000893349808 583118303 /nfs/dbraw/zinc/11/83/03/583118303.db2.gz AFJNKAIIZHPMCR-UHFFFAOYSA-N 1 2 215.680 2.520 20 30 BFEDLO CCN(Cc1[nH]cc(C(C)C)[nH+]1)C[C@@H](C)C#N ZINC000893995915 583267861 /nfs/dbraw/zinc/26/78/61/583267861.db2.gz VYPOJQSXDKCMRB-NSHDSACASA-N 1 2 234.347 2.515 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC1SCCS1 ZINC000852998880 588714975 /nfs/dbraw/zinc/71/49/75/588714975.db2.gz SSVTYBNXHLJFPG-KPKJPENVSA-N 1 2 239.365 2.617 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1C[C@@H]1C ZINC000853161754 588723122 /nfs/dbraw/zinc/72/31/22/588723122.db2.gz ZLRZJEXAVHOIKV-QWHCGFSZSA-N 1 2 244.338 2.942 20 30 BFEDLO Cc1[nH+]cc(C=NNc2cc(C)ccc2C)n1C ZINC000853275967 588730384 /nfs/dbraw/zinc/73/03/84/588730384.db2.gz SGMRCBYVZSWTQI-UHFFFAOYSA-N 1 2 242.326 2.791 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N1CCC[C@H]1C ZINC000853394350 588740538 /nfs/dbraw/zinc/74/05/38/588740538.db2.gz MRTZFBYHJQZZMF-CYBMUJFWSA-N 1 2 244.338 2.863 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NCCCC#N ZINC000853475432 588744999 /nfs/dbraw/zinc/74/49/99/588744999.db2.gz LVFRBMOGUMZDNY-UHFFFAOYSA-N 1 2 243.310 2.589 20 30 BFEDLO C=CCOCCCNc1cc[nH+]c(C(C)C)n1 ZINC000853846293 588765843 /nfs/dbraw/zinc/76/58/43/588765843.db2.gz IPPRJYUQPBFZLM-UHFFFAOYSA-N 1 2 235.331 2.605 20 30 BFEDLO C=CC(C)(C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000891266951 582646266 /nfs/dbraw/zinc/64/62/66/582646266.db2.gz KTYYWXLGXWWYDN-LBPRGKRZSA-N 1 2 249.358 2.551 20 30 BFEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000847019405 582674032 /nfs/dbraw/zinc/67/40/32/582674032.db2.gz PYYRFXDJKCRVEQ-LBPRGKRZSA-N 1 2 246.354 2.817 20 30 BFEDLO C#C[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000847019405 582674034 /nfs/dbraw/zinc/67/40/34/582674034.db2.gz PYYRFXDJKCRVEQ-LBPRGKRZSA-N 1 2 246.354 2.817 20 30 BFEDLO C=CC[NH+](CC=C)Cc1c(Cl)n[nH]c1CC ZINC000891449495 582688676 /nfs/dbraw/zinc/68/86/76/582688676.db2.gz XVRYEGAVMMKJBT-UHFFFAOYSA-N 1 2 239.750 2.800 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1csc(C#N)c1 ZINC000891466067 582690375 /nfs/dbraw/zinc/69/03/75/582690375.db2.gz YVMKBNGBBRSUHH-UHFFFAOYSA-N 1 2 247.367 2.991 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1csc(C#N)c1 ZINC000891466067 582690377 /nfs/dbraw/zinc/69/03/77/582690377.db2.gz YVMKBNGBBRSUHH-UHFFFAOYSA-N 1 2 247.367 2.991 20 30 BFEDLO CC(C)CN(CCC#N)Cc1[nH+]ccn1C1CC1 ZINC000891465328 582690554 /nfs/dbraw/zinc/69/05/54/582690554.db2.gz RFNDXUQHSKJOLQ-UHFFFAOYSA-N 1 2 246.358 2.590 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1nccc2c1CCCC2 ZINC000891716836 582712896 /nfs/dbraw/zinc/71/28/96/582712896.db2.gz XRKPAUOGHILUAZ-GFCCVEGCSA-N 1 2 243.354 2.552 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000891716836 582712899 /nfs/dbraw/zinc/71/28/99/582712899.db2.gz XRKPAUOGHILUAZ-GFCCVEGCSA-N 1 2 243.354 2.552 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1nccc2c1CCCC2 ZINC000891935267 582741103 /nfs/dbraw/zinc/74/11/03/582741103.db2.gz ZLMWLCWLOFIVEF-LBPRGKRZSA-N 1 2 243.354 2.694 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000891935267 582741105 /nfs/dbraw/zinc/74/11/05/582741105.db2.gz ZLMWLCWLOFIVEF-LBPRGKRZSA-N 1 2 243.354 2.694 20 30 BFEDLO C=C(C)C[N@H+](Cc1cnon1)Cc1ccccc1 ZINC000851996786 582990740 /nfs/dbraw/zinc/99/07/40/582990740.db2.gz CDNVHWBFIZSKND-UHFFFAOYSA-N 1 2 243.310 2.648 20 30 BFEDLO C=C(C)C[N@@H+](Cc1cnon1)Cc1ccccc1 ZINC000851996786 582990741 /nfs/dbraw/zinc/99/07/41/582990741.db2.gz CDNVHWBFIZSKND-UHFFFAOYSA-N 1 2 243.310 2.648 20 30 BFEDLO N#CCCCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893129211 583054103 /nfs/dbraw/zinc/05/41/03/583054103.db2.gz ZAUCDCZCQRYCEL-UHFFFAOYSA-N 1 2 242.326 2.947 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1nnc(C(C)C)s1 ZINC000893351978 583119750 /nfs/dbraw/zinc/11/97/50/583119750.db2.gz WGYKPBUVPMRSCC-UHFFFAOYSA-N 1 2 231.752 2.504 20 30 BFEDLO Cc1cc(F)ncc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000893528356 583158111 /nfs/dbraw/zinc/15/81/11/583158111.db2.gz XENPNEXLXPCCJK-CQSZACIVSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1cc(F)ncc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000893528356 583158113 /nfs/dbraw/zinc/15/81/13/583158113.db2.gz XENPNEXLXPCCJK-CQSZACIVSA-N 1 2 247.317 2.655 20 30 BFEDLO CSc1ccc(C[N@@H+](C)C[C@@H](C)C#N)o1 ZINC000893961043 583256437 /nfs/dbraw/zinc/25/64/37/583256437.db2.gz CASIICXHQRKIQG-VIFPVBQESA-N 1 2 224.329 2.593 20 30 BFEDLO CSc1ccc(C[N@H+](C)C[C@@H](C)C#N)o1 ZINC000893961043 583256436 /nfs/dbraw/zinc/25/64/36/583256436.db2.gz CASIICXHQRKIQG-VIFPVBQESA-N 1 2 224.329 2.593 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc2c1NCCC2 ZINC000893962652 583257189 /nfs/dbraw/zinc/25/71/89/583257189.db2.gz QPSBCIOUJKMULP-LBPRGKRZSA-N 1 2 243.354 2.636 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000893962652 583257190 /nfs/dbraw/zinc/25/71/90/583257190.db2.gz QPSBCIOUJKMULP-LBPRGKRZSA-N 1 2 243.354 2.636 20 30 BFEDLO Cc1ncoc1C[N@H+](CCC#N)CC(C)(C)C ZINC000894003325 583272388 /nfs/dbraw/zinc/27/23/88/583272388.db2.gz IYHKTRAJBGIRCI-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO Cc1ncoc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000894003325 583272390 /nfs/dbraw/zinc/27/23/90/583272390.db2.gz IYHKTRAJBGIRCI-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO C=C(C)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000894052359 583289585 /nfs/dbraw/zinc/28/95/85/583289585.db2.gz AYSPFGHCMHQCDY-JTQLQIEISA-N 1 2 206.289 2.513 20 30 BFEDLO C=CC(C)(C)CNc1cccc([C@H](C)O)[nH+]1 ZINC000894055770 583291040 /nfs/dbraw/zinc/29/10/40/583291040.db2.gz CYAIBGULSGOVRP-JTQLQIEISA-N 1 2 220.316 2.759 20 30 BFEDLO CCc1c[nH]c2nc[nH+]c(SCCC#N)c12 ZINC000894179165 583328730 /nfs/dbraw/zinc/32/87/30/583328730.db2.gz UXNYREAHWIUTGA-UHFFFAOYSA-N 1 2 232.312 2.526 20 30 BFEDLO Cc1coc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000894443941 583460641 /nfs/dbraw/zinc/46/06/41/583460641.db2.gz IVVVHQMYZNXDOR-CYBMUJFWSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1coc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000894443941 583460643 /nfs/dbraw/zinc/46/06/43/583460643.db2.gz IVVVHQMYZNXDOR-CYBMUJFWSA-N 1 2 218.300 2.714 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)C(C)(C)C ZINC000894517610 583477047 /nfs/dbraw/zinc/47/70/47/583477047.db2.gz MNAFIRCAXWCJAA-SNVBAGLBSA-N 1 2 249.383 2.553 20 30 BFEDLO Cc1cc(F)ncc1C[N@@H+](C)CC(C)(C)C#N ZINC000894610475 583492097 /nfs/dbraw/zinc/49/20/97/583492097.db2.gz NWBSNBXFHVBSBE-UHFFFAOYSA-N 1 2 235.306 2.511 20 30 BFEDLO Cc1cc(F)ncc1C[N@H+](C)CC(C)(C)C#N ZINC000894610475 583492098 /nfs/dbraw/zinc/49/20/98/583492098.db2.gz NWBSNBXFHVBSBE-UHFFFAOYSA-N 1 2 235.306 2.511 20 30 BFEDLO C#C[C@H]1CC[C@H](Nc2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000895091294 583586398 /nfs/dbraw/zinc/58/63/98/583586398.db2.gz CVRFKOPIEMHESX-JHJVBQTASA-N 1 2 244.338 2.739 20 30 BFEDLO Cc1coc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000895133107 583601503 /nfs/dbraw/zinc/60/15/03/583601503.db2.gz CVAZJVOOBWYMEM-UHFFFAOYSA-N 1 2 218.300 2.762 20 30 BFEDLO CC(C)(CCC#N)C[N@@H+]1CC[C@H]1C(F)F ZINC000895433719 583672133 /nfs/dbraw/zinc/67/21/33/583672133.db2.gz XQBAROYRRDHZEB-VIFPVBQESA-N 1 2 216.275 2.656 20 30 BFEDLO CC(C)(CCC#N)C[N@H+]1CC[C@H]1C(F)F ZINC000895433719 583672134 /nfs/dbraw/zinc/67/21/34/583672134.db2.gz XQBAROYRRDHZEB-VIFPVBQESA-N 1 2 216.275 2.656 20 30 BFEDLO CCC[C@H](C/[NH+]=C/c1ccccc1O)OC ZINC000840705664 583838786 /nfs/dbraw/zinc/83/87/86/583838786.db2.gz FCEXQUAMQQNPPA-ZMTLZGASSA-N 1 2 221.300 2.626 20 30 BFEDLO C=C(C)CC/[NH+]=C/c1cccc(OC)c1O ZINC000840705310 583838899 /nfs/dbraw/zinc/83/88/99/583838899.db2.gz DEBQKKVITKMVCA-NTEUORMPSA-N 1 2 219.284 2.786 20 30 BFEDLO CC/C=C/C/[NH+]=C/c1cccc(OC)c1O ZINC000840707438 583848773 /nfs/dbraw/zinc/84/87/73/583848773.db2.gz PCUIVAGYWYEHRU-ONKXOGLGSA-N 1 2 219.284 2.786 20 30 BFEDLO CC/C=C\C/[NH+]=C/c1cccc(OC)c1O ZINC000840707439 583848777 /nfs/dbraw/zinc/84/87/77/583848777.db2.gz PCUIVAGYWYEHRU-RZPMEUHXSA-N 1 2 219.284 2.786 20 30 BFEDLO CC(C)[C@@H]1C[C@H]1/[NH+]=C\c1ccccc1O ZINC000840712580 583879997 /nfs/dbraw/zinc/87/99/97/583879997.db2.gz ZSWCPSGGCXWPIA-UARQWIGASA-N 1 2 203.285 2.856 20 30 BFEDLO C#CC[N@H+](Cc1nc(C(C)(C)C)co1)C(C)C ZINC000897171344 583889499 /nfs/dbraw/zinc/88/94/99/583889499.db2.gz WQVZOMDBQPLGTL-UHFFFAOYSA-N 1 2 234.343 2.816 20 30 BFEDLO C#CC[N@@H+](Cc1nc(C(C)(C)C)co1)C(C)C ZINC000897171344 583889502 /nfs/dbraw/zinc/88/95/02/583889502.db2.gz WQVZOMDBQPLGTL-UHFFFAOYSA-N 1 2 234.343 2.816 20 30 BFEDLO C#C[C@@H]1CCCCN1c1cc[nH+]c(C(C)C)n1 ZINC000897360391 583938452 /nfs/dbraw/zinc/93/84/52/583938452.db2.gz FMZTXAAJHHXWHT-GFCCVEGCSA-N 1 2 229.327 2.592 20 30 BFEDLO C[C@@H]1CCC[C@@H]1/[NH+]=C\c1ccccc1O ZINC000729641433 584020741 /nfs/dbraw/zinc/02/07/41/584020741.db2.gz HXRMSQFUIYIQOJ-WHKICVQCSA-N 1 2 203.285 3.000 20 30 BFEDLO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(C#N)c1O ZINC000866244334 584116766 /nfs/dbraw/zinc/11/67/66/584116766.db2.gz ZVVUKNTVPFAYDJ-SCVCMEIPSA-N 1 2 230.311 2.570 20 30 BFEDLO CCc1ccc(C(=O)/C=C/c2c[nH+]cn2CC)o1 ZINC000901481211 584449457 /nfs/dbraw/zinc/44/94/57/584449457.db2.gz KVBOVXXFMZQGNM-FNORWQNLSA-N 1 2 244.294 2.955 20 30 BFEDLO CCc1ccc(C(=O)/C=C\c2c[nH+]cn2CC)o1 ZINC000901481207 584449476 /nfs/dbraw/zinc/44/94/76/584449476.db2.gz KVBOVXXFMZQGNM-ALCCZGGFSA-N 1 2 244.294 2.955 20 30 BFEDLO Cc1cc(C(=O)C=Cc2[nH]cc(C(C)C)[nH+]2)no1 ZINC000901503837 584455082 /nfs/dbraw/zinc/45/50/82/584455082.db2.gz WWMMBELJOOCXEK-PLNGDYQASA-N 1 2 245.282 2.726 20 30 BFEDLO C#CCCCCCCOCc1[nH]cc[nH+]1 ZINC000901528945 584458883 /nfs/dbraw/zinc/45/88/83/584458883.db2.gz MRQACVMXVDOZOK-UHFFFAOYSA-N 1 2 206.289 2.510 20 30 BFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000902995608 584708533 /nfs/dbraw/zinc/70/85/33/584708533.db2.gz OGZKIJJZUKWBHD-CYBMUJFWSA-N 1 2 248.301 2.501 20 30 BFEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](F)C1 ZINC000902995608 584708535 /nfs/dbraw/zinc/70/85/35/584708535.db2.gz OGZKIJJZUKWBHD-CYBMUJFWSA-N 1 2 248.301 2.501 20 30 BFEDLO CCc1cccnc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903031042 584718073 /nfs/dbraw/zinc/71/80/73/584718073.db2.gz AQWQCALGENZQDS-LBPRGKRZSA-N 1 2 243.354 2.988 20 30 BFEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C#N)cc1F ZINC000903100782 584727276 /nfs/dbraw/zinc/72/72/76/584727276.db2.gz XREAFTADMXUWJH-JTQLQIEISA-N 1 2 245.301 2.898 20 30 BFEDLO CC(C)(C#N)C[NH2+][C@@H]1CCCc2scnc21 ZINC000903101865 584727592 /nfs/dbraw/zinc/72/75/92/584727592.db2.gz ODYLWYQNWFAPID-SECBINFHSA-N 1 2 235.356 2.660 20 30 BFEDLO CC(C)(C#N)C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000903102012 584727602 /nfs/dbraw/zinc/72/76/02/584727602.db2.gz PJRCICULZKIXLZ-SNVBAGLBSA-N 1 2 249.745 2.862 20 30 BFEDLO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)c2nccn21 ZINC000903108426 584728868 /nfs/dbraw/zinc/72/88/68/584728868.db2.gz CGZIBGSGZFZUKU-NWDGAFQWSA-N 1 2 244.342 2.562 20 30 BFEDLO C=CCON=CCCc1ccc(C)[nH+]c1 ZINC000835013211 584918294 /nfs/dbraw/zinc/91/82/94/584918294.db2.gz LREOBMMCQUVPQV-UHFFFAOYSA-N 1 2 204.273 2.511 20 30 BFEDLO Cc1cc(F)ccc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731319836 584925046 /nfs/dbraw/zinc/92/50/46/584925046.db2.gz RGGCBMPRYWYBII-SNAWJCMRSA-N 1 2 230.242 2.753 20 30 BFEDLO C=C1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC000733309987 584946944 /nfs/dbraw/zinc/94/69/44/584946944.db2.gz FSZCRVDOCWKTQI-UHFFFAOYSA-N 1 2 220.316 2.950 20 30 BFEDLO CCCON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000842555071 585006092 /nfs/dbraw/zinc/00/60/92/585006092.db2.gz TVZSWSMNEVXALT-UHFFFAOYSA-N 1 2 235.312 2.694 20 30 BFEDLO Cc1ccc(COC(=O)C#CC(C)(C)C)c(C)[nH+]1 ZINC000838371472 585055318 /nfs/dbraw/zinc/05/53/18/585055318.db2.gz PPNGFQLNKSCPQR-UHFFFAOYSA-N 1 2 245.322 2.791 20 30 BFEDLO C#CC[NH+](CC#C)[C@H](C)c1cc(F)ccc1F ZINC000839501669 585105698 /nfs/dbraw/zinc/10/56/98/585105698.db2.gz XXKZYAFLNVEXIY-LLVKDONJSA-N 1 2 233.261 2.594 20 30 BFEDLO Cc1ccncc1C[N@@H+](CCC#N)CC(C)C ZINC000747494058 585180062 /nfs/dbraw/zinc/18/00/62/585180062.db2.gz CJUUUEMMINJBAA-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO Cc1ccncc1C[N@H+](CCC#N)CC(C)C ZINC000747494058 585180063 /nfs/dbraw/zinc/18/00/63/585180063.db2.gz CJUUUEMMINJBAA-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccccn1 ZINC000752721282 585248850 /nfs/dbraw/zinc/24/88/50/585248850.db2.gz CQALKCQTJKBOTL-UHFFFAOYSA-N 1 2 240.310 2.727 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1cccc(Cl)n1)C1CC1 ZINC000754373954 585283522 /nfs/dbraw/zinc/28/35/22/585283522.db2.gz SIBDNVJLWBCBGA-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(Cl)n1)C1CC1 ZINC000754373954 585283523 /nfs/dbraw/zinc/28/35/23/585283523.db2.gz SIBDNVJLWBCBGA-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO Cc1c(Cl)cccc1NN=Cc1c[nH+]cn1C ZINC000755643498 585303197 /nfs/dbraw/zinc/30/31/97/585303197.db2.gz RTCRPDMSSVCRDF-UHFFFAOYSA-N 1 2 248.717 2.828 20 30 BFEDLO CCc1ccccc1NN=Cc1[nH+]c[nH]c1C ZINC000755642891 585303327 /nfs/dbraw/zinc/30/33/27/585303327.db2.gz IAAUDJGJSBIPBK-UHFFFAOYSA-N 1 2 228.299 2.727 20 30 BFEDLO C#CCCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000757916868 585346670 /nfs/dbraw/zinc/34/66/70/585346670.db2.gz WTBCWMVVSZGCLE-UHFFFAOYSA-N 1 2 241.294 2.613 20 30 BFEDLO O=C1c2cc(Cl)ccc2C/C1=C\c1[nH]cc[nH+]1 ZINC000762445909 585432339 /nfs/dbraw/zinc/43/23/39/585432339.db2.gz APOUXNNASSYNII-RMKNXTFCSA-N 1 2 244.681 2.886 20 30 BFEDLO CC[C@@H](C)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000764549420 585467622 /nfs/dbraw/zinc/46/76/22/585467622.db2.gz LHEMKLHNEXDFBV-SECBINFHSA-N 1 2 238.306 2.817 20 30 BFEDLO C#CCCC[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000766895396 585509624 /nfs/dbraw/zinc/50/96/24/585509624.db2.gz KILDWFWMKDOAKX-LBPRGKRZSA-N 1 2 247.342 2.572 20 30 BFEDLO C#CCCC[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000766895396 585509625 /nfs/dbraw/zinc/50/96/25/585509625.db2.gz KILDWFWMKDOAKX-LBPRGKRZSA-N 1 2 247.342 2.572 20 30 BFEDLO CC1(C)CC[C@H](/[NH+]=C\c2ccc(O)c(O)c2O)C1 ZINC000768270240 585535101 /nfs/dbraw/zinc/53/51/01/585535101.db2.gz XRBIJWAHUYUMJW-SOOGHKCXSA-N 1 2 249.310 2.801 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1nccc2ccccc21 ZINC000769332195 585554111 /nfs/dbraw/zinc/55/41/11/585554111.db2.gz INTLXVCMFXPUGB-LBPRGKRZSA-N 1 2 239.322 2.969 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1nccc2ccccc21 ZINC000769332195 585554112 /nfs/dbraw/zinc/55/41/12/585554112.db2.gz INTLXVCMFXPUGB-LBPRGKRZSA-N 1 2 239.322 2.969 20 30 BFEDLO CC1(C)CCC[N@H+](CCCCCCO)[C@@H]1C#N ZINC000769894629 585566367 /nfs/dbraw/zinc/56/63/67/585566367.db2.gz VZRPCFCRDOPBDT-CYBMUJFWSA-N 1 2 238.375 2.553 20 30 BFEDLO CC1(C)CCC[N@@H+](CCCCCCO)[C@@H]1C#N ZINC000769894629 585566368 /nfs/dbraw/zinc/56/63/68/585566368.db2.gz VZRPCFCRDOPBDT-CYBMUJFWSA-N 1 2 238.375 2.553 20 30 BFEDLO CC#CCCCC(=O)OCc1ccc(C)[nH+]c1C ZINC000772363845 585613281 /nfs/dbraw/zinc/61/32/81/585613281.db2.gz QUEWGWYWXRBLKG-UHFFFAOYSA-N 1 2 245.322 2.935 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000773177061 585633269 /nfs/dbraw/zinc/63/32/69/585633269.db2.gz GQZOYIRKZRJVPO-LLVKDONJSA-N 1 2 228.336 2.512 20 30 BFEDLO CO[C@@H]1CCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000774542573 585660949 /nfs/dbraw/zinc/66/09/49/585660949.db2.gz PLXYMIGWRFWPNN-FOUVODNDSA-N 1 2 233.311 2.626 20 30 BFEDLO Cc1ccc(CON=C2CCC2)c(C)[nH+]1 ZINC000774762837 585665478 /nfs/dbraw/zinc/66/54/78/585665478.db2.gz VLQMGBNSVUIWGG-UHFFFAOYSA-N 1 2 204.273 2.755 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(F)nc1 ZINC000779148359 585745736 /nfs/dbraw/zinc/74/57/36/585745736.db2.gz PVBVCHRJUIKNAK-UHFFFAOYSA-N 1 2 235.306 2.592 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(F)nc1 ZINC000779148359 585745737 /nfs/dbraw/zinc/74/57/37/585745737.db2.gz PVBVCHRJUIKNAK-UHFFFAOYSA-N 1 2 235.306 2.592 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000779143529 585745745 /nfs/dbraw/zinc/74/57/45/585745745.db2.gz ASNURXTYIGGFDS-UHFFFAOYSA-N 1 2 248.157 2.735 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000779143529 585745746 /nfs/dbraw/zinc/74/57/46/585745746.db2.gz ASNURXTYIGGFDS-UHFFFAOYSA-N 1 2 248.157 2.735 20 30 BFEDLO C#CCCCCCC(=O)Nc1c[nH+]ccc1OC ZINC000779888618 585769557 /nfs/dbraw/zinc/76/95/57/585769557.db2.gz XWJYUFZTXPPPPE-UHFFFAOYSA-N 1 2 246.310 2.612 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(C#N)cc1F ZINC000781421183 585796025 /nfs/dbraw/zinc/79/60/25/585796025.db2.gz FTXJVOQKOHAHJP-SECBINFHSA-N 1 2 245.257 2.536 20 30 BFEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)cc1F ZINC000781898447 585804609 /nfs/dbraw/zinc/80/46/09/585804609.db2.gz KQFNIRYUYNNYIY-UHFFFAOYSA-N 1 2 235.689 2.548 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783153704 585828699 /nfs/dbraw/zinc/82/86/99/585828699.db2.gz YJMBUQMJNAIFEO-UHFFFAOYSA-N 1 2 236.290 2.833 20 30 BFEDLO CC[C@@H](C)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000790180877 585959521 /nfs/dbraw/zinc/95/95/21/585959521.db2.gz BFHFJHIGANRLHK-CYBMUJFWSA-N 1 2 245.370 2.636 20 30 BFEDLO CC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000790180877 585959522 /nfs/dbraw/zinc/95/95/22/585959522.db2.gz BFHFJHIGANRLHK-CYBMUJFWSA-N 1 2 245.370 2.636 20 30 BFEDLO Cc1cc(Cl)ccc1C=NNc1[nH+]ccn1C ZINC000790300356 585962708 /nfs/dbraw/zinc/96/27/08/585962708.db2.gz USXMEMBQJWFTBO-UHFFFAOYSA-N 1 2 248.717 2.828 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1ccn(CC)c1 ZINC000792314672 585999663 /nfs/dbraw/zinc/99/96/63/585999663.db2.gz YYJXBSFXPXNJDY-UHFFFAOYSA-N 1 2 212.724 2.692 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1ccn(CC)c1 ZINC000792314672 585999664 /nfs/dbraw/zinc/99/96/64/585999664.db2.gz YYJXBSFXPXNJDY-UHFFFAOYSA-N 1 2 212.724 2.692 20 30 BFEDLO CCc1cccc(F)c1C=NNc1[nH+]ccn1C ZINC000794541153 586042934 /nfs/dbraw/zinc/04/29/34/586042934.db2.gz KBQCAZBKYCQIQD-UHFFFAOYSA-N 1 2 246.289 2.568 20 30 BFEDLO COc1cccc(/C=[NH+]/[C@@H]2CC[C@H]2C)c1O ZINC000794677499 586046808 /nfs/dbraw/zinc/04/68/08/586046808.db2.gz VNLRZEDBQJCELI-NOVDFUDFSA-N 1 2 219.284 2.618 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCOc1ccccc1C ZINC000794735849 586047735 /nfs/dbraw/zinc/04/77/35/586047735.db2.gz UKGAJMSSRYZYTE-UHFFFAOYSA-N 1 2 244.338 2.776 20 30 BFEDLO C=CC[N@H+](CCC#N)CCOc1ccccc1C ZINC000794735849 586047736 /nfs/dbraw/zinc/04/77/36/586047736.db2.gz UKGAJMSSRYZYTE-UHFFFAOYSA-N 1 2 244.338 2.776 20 30 BFEDLO CC(=[NH+]Nc1cccc(F)n1)c1ccc(N)cc1 ZINC000795006855 586064603 /nfs/dbraw/zinc/06/46/03/586064603.db2.gz NLAIHJIUVDIDGG-UHFFFAOYSA-N 1 2 244.273 2.639 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)c1cccc(F)c1 ZINC000795204060 586071627 /nfs/dbraw/zinc/07/16/27/586071627.db2.gz FAUYYEMCNSDBID-UHFFFAOYSA-N 1 2 222.263 2.638 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)COc1ccccc1 ZINC000795200809 586071750 /nfs/dbraw/zinc/07/17/50/586071750.db2.gz XDEIZOUHRQMYFK-UHFFFAOYSA-N 1 2 234.299 2.530 20 30 BFEDLO N#CCC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC000796449635 586103252 /nfs/dbraw/zinc/10/32/52/586103252.db2.gz JTUHWICWWKFRMS-CQSZACIVSA-N 1 2 240.310 2.544 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1C[C@H]1C1CC1 ZINC000797398164 586126227 /nfs/dbraw/zinc/12/62/27/586126227.db2.gz LDZRNWYLPHMBLU-MHPRJNMPSA-N 1 2 201.269 2.610 20 30 BFEDLO COc1ccc([NH2+][C@@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000799721222 586194744 /nfs/dbraw/zinc/19/47/44/586194744.db2.gz WXUKKKWJDBEPMQ-WDEREUQCSA-N 1 2 246.310 2.808 20 30 BFEDLO N#C[C@H]1CC[C@H]([NH2+]c2ccc3c(c2)CCO3)C1 ZINC000799722270 586194906 /nfs/dbraw/zinc/19/49/06/586194906.db2.gz DDYKNOFOGNXGQW-JQWIXIFHSA-N 1 2 228.295 2.726 20 30 BFEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccc(F)cc2F)c1 ZINC000800792415 586228468 /nfs/dbraw/zinc/22/84/68/586228468.db2.gz DQSODDKRLUNYKS-HWKANZROSA-N 1 2 248.232 2.594 20 30 BFEDLO CCc1ccc(C(=O)/C=C/c2cn(C)c[nH+]2)s1 ZINC000800793217 586229054 /nfs/dbraw/zinc/22/90/54/586229054.db2.gz NQTAPSYNBYOFIX-GQCTYLIASA-N 1 2 246.335 2.940 20 30 BFEDLO Cc1cc(C(=O)/C=C\c2cn(C)c[nH+]2)c(C)s1 ZINC000800792770 586229070 /nfs/dbraw/zinc/22/90/70/586229070.db2.gz XVDLRXXXMMHCFB-PLNGDYQASA-N 1 2 246.335 2.995 20 30 BFEDLO Cn1c[nH+]c(/C=C/C(=O)c2cc(F)cc(F)c2)c1 ZINC000800794331 586229527 /nfs/dbraw/zinc/22/95/27/586229527.db2.gz CGRXSQPETUDJHN-NSCUHMNNSA-N 1 2 248.232 2.594 20 30 BFEDLO CC(=NNc1ccc(C)cc1)c1cn(C)c(C)[nH+]1 ZINC000800803664 586229984 /nfs/dbraw/zinc/22/99/84/586229984.db2.gz KECYHFRWRHVYIN-UHFFFAOYSA-N 1 2 242.326 2.873 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000859444226 589037273 /nfs/dbraw/zinc/03/72/73/589037273.db2.gz HINTWXQCDZNINU-MRVPVSSYSA-N 1 2 225.229 2.785 20 30 BFEDLO C=CC[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000859444226 589037275 /nfs/dbraw/zinc/03/72/75/589037275.db2.gz HINTWXQCDZNINU-MRVPVSSYSA-N 1 2 225.229 2.785 20 30 BFEDLO CC1(C)CC[C@H]1/[NH+]=C\c1ccccc1O ZINC000804599441 586399290 /nfs/dbraw/zinc/39/92/90/586399290.db2.gz YUTXHORBDCGHLA-OJLMPMFISA-N 1 2 203.285 3.000 20 30 BFEDLO C#Cc1ccc(CNc2c[nH+]ccc2C)cc1 ZINC000809627471 586510116 /nfs/dbraw/zinc/51/01/16/586510116.db2.gz ANHSRAZQWMHMTH-UHFFFAOYSA-N 1 2 222.291 2.983 20 30 BFEDLO C=CCCCCCCCNC(=O)Cn1cc[nH+]c1 ZINC000812577493 586579717 /nfs/dbraw/zinc/57/97/17/586579717.db2.gz VDUMHBIROPUDDZ-UHFFFAOYSA-N 1 2 249.358 2.526 20 30 BFEDLO C#CCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000812897871 586588800 /nfs/dbraw/zinc/58/88/00/586588800.db2.gz PRSDGLVPDOSOIX-UHFFFAOYSA-N 1 2 238.334 2.870 20 30 BFEDLO C#CCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000812897871 586588801 /nfs/dbraw/zinc/58/88/01/586588801.db2.gz PRSDGLVPDOSOIX-UHFFFAOYSA-N 1 2 238.334 2.870 20 30 BFEDLO C(=NOCC1CC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000814243779 586619662 /nfs/dbraw/zinc/61/96/62/586619662.db2.gz MXHHYQBAZWYITO-UHFFFAOYSA-N 1 2 247.323 2.694 20 30 BFEDLO C#CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554854 586740700 /nfs/dbraw/zinc/74/07/00/586740700.db2.gz KYBMQZPGELBPMH-UHFFFAOYSA-N 1 2 241.693 2.688 20 30 BFEDLO CCOc1ccc(/C=[NH+]/[C@H]2CC23CC3)c(O)c1 ZINC000818993155 586920947 /nfs/dbraw/zinc/92/09/47/586920947.db2.gz XKGKVSIVCHOYSJ-NCPSJORJSA-N 1 2 231.295 2.762 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NN[C@@H]1CCCC1(C)C ZINC000819809847 586996604 /nfs/dbraw/zinc/99/66/04/586996604.db2.gz PGAVKOSBJNSFKX-CYBMUJFWSA-N 1 2 248.374 2.966 20 30 BFEDLO Nc1ccc(/C=C/C(=O)c2ccc(F)cc2)c[nH+]1 ZINC000821026863 587089500 /nfs/dbraw/zinc/08/95/00/587089500.db2.gz ACOWWSDKGNNSSO-LREOWRDNSA-N 1 2 242.253 2.699 20 30 BFEDLO N#CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000822597702 587176815 /nfs/dbraw/zinc/17/68/15/587176815.db2.gz CJDYQMRLRRXBAE-MRVPVSSYSA-N 1 2 233.142 2.558 20 30 BFEDLO N#CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000822597702 587176817 /nfs/dbraw/zinc/17/68/17/587176817.db2.gz CJDYQMRLRRXBAE-MRVPVSSYSA-N 1 2 233.142 2.558 20 30 BFEDLO C#CC[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000826585940 587355872 /nfs/dbraw/zinc/35/58/72/587355872.db2.gz WNDHICBPVCUWRW-CYBMUJFWSA-N 1 2 239.322 2.501 20 30 BFEDLO C=CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826915768 587365307 /nfs/dbraw/zinc/36/53/07/587365307.db2.gz VPUKNPOFPWRARB-UHFFFAOYSA-N 1 2 229.682 2.850 20 30 BFEDLO C#CC[C@@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000829785342 587516421 /nfs/dbraw/zinc/51/64/21/587516421.db2.gz UMHMQVHPIXSZKJ-SECBINFHSA-N 1 2 237.240 2.622 20 30 BFEDLO C#CC[C@@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000829785342 587516423 /nfs/dbraw/zinc/51/64/23/587516423.db2.gz UMHMQVHPIXSZKJ-SECBINFHSA-N 1 2 237.240 2.622 20 30 BFEDLO CCC(=NNc1[nH+]ccn1C)c1ccsc1 ZINC000834976570 587775244 /nfs/dbraw/zinc/77/52/44/587775244.db2.gz MSNYMFWQRBQBSH-UHFFFAOYSA-N 1 2 234.328 2.708 20 30 BFEDLO FC1(F)CC1=CNNc1cccc(Cl)[nH+]1 ZINC000834980671 587775824 /nfs/dbraw/zinc/77/58/24/587775824.db2.gz BNEFDHTZRBKNJU-ZCFIWIBFSA-N 1 2 231.633 2.788 20 30 BFEDLO FC1(F)CC1=CNNc1cccc(Cl)[nH+]1 ZINC000834980669 587775842 /nfs/dbraw/zinc/77/58/42/587775842.db2.gz BNEFDHTZRBKNJU-LURJTMIESA-N 1 2 231.633 2.788 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709151 587917443 /nfs/dbraw/zinc/91/74/43/587917443.db2.gz BGPCORKGWCRGOB-HBKPWDTHSA-N 1 2 215.296 3.000 20 30 BFEDLO CC(NNc1[nH+]cccc1F)=C1CC1(F)F ZINC000841637734 587964231 /nfs/dbraw/zinc/96/42/31/587964231.db2.gz VVJLPFRYBRTNGK-SSDOTTSWSA-N 1 2 229.205 2.664 20 30 BFEDLO C=CCCCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000842033449 587991527 /nfs/dbraw/zinc/99/15/27/587991527.db2.gz QHTPSTUKBSRTEV-LBPRGKRZSA-N 1 2 242.363 2.902 20 30 BFEDLO CCCO[NH+]=C(C)c1cc(N)ccc1F ZINC000842550333 588041656 /nfs/dbraw/zinc/04/16/56/588041656.db2.gz DOSLPLSSRUMBAF-UHFFFAOYSA-N 1 2 210.252 2.559 20 30 BFEDLO CCCON=C(C)c1ccc(C)[nH+]c1C ZINC000842550975 588041670 /nfs/dbraw/zinc/04/16/70/588041670.db2.gz NAAQSESDXXMXHB-UHFFFAOYSA-N 1 2 206.289 2.849 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000843262959 588096142 /nfs/dbraw/zinc/09/61/42/588096142.db2.gz GUCCDCKYKPQSDM-RCNSSFOKSA-N 1 2 215.296 3.000 20 30 BFEDLO C=C[C@H](C)ON=CCCc1ccc(C)[nH+]c1 ZINC000844625437 588211238 /nfs/dbraw/zinc/21/12/38/588211238.db2.gz LZHGEDBXTOYSPY-LBPRGKRZSA-N 1 2 218.300 2.900 20 30 BFEDLO C=C[C@H](C)ON=C1CCN(c2cccc[nH+]2)CC1 ZINC000844626166 588211534 /nfs/dbraw/zinc/21/15/34/588211534.db2.gz ZJCBURKKKBPSLN-LBPRGKRZSA-N 1 2 245.326 2.629 20 30 BFEDLO C=C[C@H](C)ONC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000844668316 588212828 /nfs/dbraw/zinc/21/28/28/588212828.db2.gz SQPNTXDNDQQGBL-JTQLQIEISA-N 1 2 249.314 2.634 20 30 BFEDLO C=CCC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845285225 588225899 /nfs/dbraw/zinc/22/58/99/588225899.db2.gz QCVXUQGYKQVAKT-VXGBXAGGSA-N 1 2 236.315 2.732 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(Cl)n1 ZINC000846993269 588300527 /nfs/dbraw/zinc/30/05/27/588300527.db2.gz NCPYCOXBRNYVBD-SECBINFHSA-N 1 2 223.707 2.517 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(Cl)n1 ZINC000846993272 588300620 /nfs/dbraw/zinc/30/06/20/588300620.db2.gz NCPYCOXBRNYVBD-VIFPVBQESA-N 1 2 223.707 2.517 20 30 BFEDLO CC[C@@]1(C)CCCC1=NNCCCn1cc[nH+]c1 ZINC000848416289 588381316 /nfs/dbraw/zinc/38/13/16/588381316.db2.gz FXTJUNUYUPEWQI-AWEZNQCLSA-N 1 2 248.374 2.819 20 30 BFEDLO C[C@@H]1CCC(=NNCCCn2cc[nH+]c2)C[C@@H]1C ZINC000848417106 588381366 /nfs/dbraw/zinc/38/13/66/588381366.db2.gz KXMKIYWXGIJWTK-OLZOCXBDSA-N 1 2 248.374 2.675 20 30 BFEDLO C=CCCC(CC)N=NCCCn1cc[nH+]c1 ZINC000848417829 588382219 /nfs/dbraw/zinc/38/22/19/588382219.db2.gz FLYFWCPESQTRTJ-UHFFFAOYSA-N 1 2 234.347 2.595 20 30 BFEDLO Oc1ccc(/C=[NH+]/CCCC2CCC2)c(O)c1O ZINC000849171817 588459801 /nfs/dbraw/zinc/45/98/01/588459801.db2.gz GPLCMLQNPGAGLR-OQLLNIDSSA-N 1 2 249.310 2.803 20 30 BFEDLO C[C@@H]1CCC[C@H](C/[NH+]=C/c2ccccc2O)O1 ZINC000849172798 588459864 /nfs/dbraw/zinc/45/98/64/588459864.db2.gz ZSLRQESXPIVFSP-RLYUOEPHSA-N 1 2 233.311 2.769 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cccc(OC)c1Cl ZINC000851799658 588630080 /nfs/dbraw/zinc/63/00/80/588630080.db2.gz PBNHQXNKNFLQKL-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO C#CC[N@H+](CC)Cc1cccc(OC)c1Cl ZINC000851799658 588630081 /nfs/dbraw/zinc/63/00/81/588630081.db2.gz PBNHQXNKNFLQKL-UHFFFAOYSA-N 1 2 237.730 2.804 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC000852099121 588662690 /nfs/dbraw/zinc/66/26/90/588662690.db2.gz FGXRQDXLVSNGHQ-AWEZNQCLSA-N 1 2 234.343 2.864 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(CCCC)no1 ZINC000852099293 588662926 /nfs/dbraw/zinc/66/29/26/588662926.db2.gz JHJSLZAOFGFPNJ-FZMZJTMJSA-N 1 2 249.358 2.865 20 30 BFEDLO C#CC[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852128588 588665634 /nfs/dbraw/zinc/66/56/34/588665634.db2.gz STAFAVCTKVVSCZ-VIFPVBQESA-N 1 2 247.729 2.842 20 30 BFEDLO C#CC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852128588 588665635 /nfs/dbraw/zinc/66/56/35/588665635.db2.gz STAFAVCTKVVSCZ-VIFPVBQESA-N 1 2 247.729 2.842 20 30 BFEDLO C#CC[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852128588 588665636 /nfs/dbraw/zinc/66/56/36/588665636.db2.gz STAFAVCTKVVSCZ-VIFPVBQESA-N 1 2 247.729 2.842 20 30 BFEDLO C#CC[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852128588 588665637 /nfs/dbraw/zinc/66/56/37/588665637.db2.gz STAFAVCTKVVSCZ-VIFPVBQESA-N 1 2 247.729 2.842 20 30 BFEDLO C=CC[N@H+](C/C(Cl)=C/Cl)[C@H](C)COC ZINC000852356872 588679578 /nfs/dbraw/zinc/67/95/78/588679578.db2.gz QFPGAUUFPBOKFR-WPVMNKCKSA-N 1 2 238.158 2.828 20 30 BFEDLO C=CC[N@@H+](C/C(Cl)=C/Cl)[C@H](C)COC ZINC000852356872 588679579 /nfs/dbraw/zinc/67/95/79/588679579.db2.gz QFPGAUUFPBOKFR-WPVMNKCKSA-N 1 2 238.158 2.828 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000852551405 588688986 /nfs/dbraw/zinc/68/89/86/588688986.db2.gz VMDDSNIAPCJMKJ-UHFFFAOYSA-N 1 2 237.730 2.806 20 30 BFEDLO C=C(Cl)C[N@H+]1CCc2cc(OC)ccc2C1 ZINC000852551405 588688987 /nfs/dbraw/zinc/68/89/87/588688987.db2.gz VMDDSNIAPCJMKJ-UHFFFAOYSA-N 1 2 237.730 2.806 20 30 BFEDLO C[C@]1(C#N)CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000852687216 588696363 /nfs/dbraw/zinc/69/63/63/588696363.db2.gz QUYYULJXRZVLQC-VHSXEESVSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000852687216 588696364 /nfs/dbraw/zinc/69/63/64/588696364.db2.gz QUYYULJXRZVLQC-VHSXEESVSA-N 1 2 247.169 2.806 20 30 BFEDLO Cc1c(F)nccc1C[N@@H+](CCC#N)CC(C)C ZINC000862212199 589194455 /nfs/dbraw/zinc/19/44/55/589194455.db2.gz IGSOZJWLDOVMCJ-UHFFFAOYSA-N 1 2 249.333 2.901 20 30 BFEDLO Cc1c(F)nccc1C[N@H+](CCC#N)CC(C)C ZINC000862212199 589194456 /nfs/dbraw/zinc/19/44/56/589194456.db2.gz IGSOZJWLDOVMCJ-UHFFFAOYSA-N 1 2 249.333 2.901 20 30 BFEDLO CC[N@@H+](Cc1ccnc(F)c1C)C[C@@H](C)C#N ZINC000862227683 589195672 /nfs/dbraw/zinc/19/56/72/589195672.db2.gz GBDGMZCNEWSSQN-JTQLQIEISA-N 1 2 235.306 2.511 20 30 BFEDLO CC[N@H+](Cc1ccnc(F)c1C)C[C@@H](C)C#N ZINC000862227683 589195674 /nfs/dbraw/zinc/19/56/74/589195674.db2.gz GBDGMZCNEWSSQN-JTQLQIEISA-N 1 2 235.306 2.511 20 30 BFEDLO CS[C@H]1C[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000864347807 589354652 /nfs/dbraw/zinc/35/46/52/589354652.db2.gz XORAYQGSFPLVHW-YMGSQUKXSA-N 1 2 221.325 2.705 20 30 BFEDLO COC(C)(C)CC/[NH+]=C/c1ccccc1O ZINC000864347252 589354681 /nfs/dbraw/zinc/35/46/81/589354681.db2.gz NGZBSCZRLOYSPQ-GXDHUFHOSA-N 1 2 221.300 2.626 20 30 BFEDLO CCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866211218 589480415 /nfs/dbraw/zinc/48/04/15/589480415.db2.gz CFSKIUNIAFMBBS-JTQLQIEISA-N 1 2 218.300 2.715 20 30 BFEDLO C[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(C#N)c1O ZINC000866218735 589481461 /nfs/dbraw/zinc/48/14/61/589481461.db2.gz WZBUDAMJXYAQQS-UWVGGRQHSA-N 1 2 230.311 2.713 20 30 BFEDLO C[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(C#N)c1O ZINC000866218734 589481518 /nfs/dbraw/zinc/48/15/18/589481518.db2.gz WZBUDAMJXYAQQS-NXEZZACHSA-N 1 2 230.311 2.713 20 30 BFEDLO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866296402 589484659 /nfs/dbraw/zinc/48/46/59/589484659.db2.gz BQUXTNJQCQJBME-MNOVXSKESA-N 1 2 230.311 2.879 20 30 BFEDLO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(C#N)c1O ZINC000866319770 589486271 /nfs/dbraw/zinc/48/62/71/589486271.db2.gz IAKNDPOZNSIKMN-SNVBAGLBSA-N 1 2 242.322 2.857 20 30 BFEDLO C[C@@H]([NH2+]CC[C@H](C)F)c1cccc(C#N)c1O ZINC000866362236 589488090 /nfs/dbraw/zinc/48/80/90/589488090.db2.gz CLJUALAZKDURHX-VHSXEESVSA-N 1 2 236.290 2.663 20 30 BFEDLO C[C@H]([NH2+]CCCCF)c1cccc(C#N)c1O ZINC000866363012 589488110 /nfs/dbraw/zinc/48/81/10/589488110.db2.gz GVXUKPLWPDVBJS-JTQLQIEISA-N 1 2 236.290 2.664 20 30 BFEDLO C[C@H](F)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866362234 589488123 /nfs/dbraw/zinc/48/81/23/589488123.db2.gz CLJUALAZKDURHX-UWVGGRQHSA-N 1 2 236.290 2.663 20 30 BFEDLO C[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(C#N)c1O ZINC000866388185 589489284 /nfs/dbraw/zinc/48/92/84/589489284.db2.gz CWMJRORYTFKCOC-PWSUYJOCSA-N 1 2 228.295 2.633 20 30 BFEDLO C[C@@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1O ZINC000866395926 589490256 /nfs/dbraw/zinc/49/02/56/589490256.db2.gz IHZONPDBUCNYEB-LLVKDONJSA-N 1 2 242.322 2.881 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@H]1CC12CCC2 ZINC000871598639 589772705 /nfs/dbraw/zinc/77/27/05/589772705.db2.gz WIJBAPAYOURWBX-IGVUGNCQSA-N 1 2 201.269 2.754 20 30 BFEDLO CC(C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000123818965 589824712 /nfs/dbraw/zinc/82/47/12/589824712.db2.gz APYPFNNIBRQNQX-UHFFFAOYSA-N 1 2 226.707 2.580 20 30 BFEDLO CN(C)c1ccc(F)cc1C=[NH+]OCC(F)F ZINC000872366381 589921263 /nfs/dbraw/zinc/92/12/63/589921263.db2.gz DFICQFAUCRYTNV-UHFFFAOYSA-N 1 2 246.232 2.507 20 30 BFEDLO Cc1[nH+]cc(C=NNC2CCC(C)(C)CC2)n1C ZINC000872395582 589932435 /nfs/dbraw/zinc/93/24/35/589932435.db2.gz SYJIUAQQGNUIMW-UHFFFAOYSA-N 1 2 248.374 2.621 20 30 BFEDLO COc1ccc([NH2+]C[C@@H](C)CCC#N)cc1CO ZINC000876850073 590249536 /nfs/dbraw/zinc/24/95/36/590249536.db2.gz HJXRXQXBCMQXSP-NSHDSACASA-N 1 2 248.326 2.539 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877164859 590294871 /nfs/dbraw/zinc/29/48/71/590294871.db2.gz DSTVGNUEHZDZHE-UHFFFAOYSA-N 1 2 227.254 2.678 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877164859 590294872 /nfs/dbraw/zinc/29/48/72/590294872.db2.gz DSTVGNUEHZDZHE-UHFFFAOYSA-N 1 2 227.254 2.678 20 30 BFEDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(C#N)cnc1Cl ZINC000877486543 590335700 /nfs/dbraw/zinc/33/57/00/590335700.db2.gz KMBSGRFOQTTZBF-RKDXNWHRSA-N 1 2 235.718 2.589 20 30 BFEDLO CC[C@H]1CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877548252 590353750 /nfs/dbraw/zinc/35/37/50/590353750.db2.gz UDGXREPBLWASNJ-NSHDSACASA-N 1 2 235.718 2.591 20 30 BFEDLO CC[C@H]1CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877548252 590353748 /nfs/dbraw/zinc/35/37/48/590353748.db2.gz UDGXREPBLWASNJ-NSHDSACASA-N 1 2 235.718 2.591 20 30 BFEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000877561926 590360151 /nfs/dbraw/zinc/36/01/51/590360151.db2.gz NNXCNLGBPVRHSK-GFCCVEGCSA-N 1 2 247.729 2.591 20 30 BFEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000877561926 590360152 /nfs/dbraw/zinc/36/01/52/590360152.db2.gz NNXCNLGBPVRHSK-GFCCVEGCSA-N 1 2 247.729 2.591 20 30 BFEDLO C#CCCCCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000877572196 590363011 /nfs/dbraw/zinc/36/30/11/590363011.db2.gz NLDNABXIZMCTOR-GFCCVEGCSA-N 1 2 247.329 2.518 20 30 BFEDLO C#CCCCCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000877572196 590363014 /nfs/dbraw/zinc/36/30/14/590363014.db2.gz NLDNABXIZMCTOR-GFCCVEGCSA-N 1 2 247.329 2.518 20 30 BFEDLO C=C(Cl)C[C@H]([NH2+]C[C@H](C)CC)C(=O)OCC ZINC000877671606 590389404 /nfs/dbraw/zinc/38/94/04/590389404.db2.gz LMIONNBMMRDVBA-KOLCDFICSA-N 1 2 247.766 2.696 20 30 BFEDLO C=C(Cl)C[C@@H]([NH2+]C1CCCC1)C(=O)OCC ZINC000877670967 590389516 /nfs/dbraw/zinc/38/95/16/590389516.db2.gz CYQTWEHAIXVDSN-LLVKDONJSA-N 1 2 245.750 2.593 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCC(C)(C)CO1 ZINC000878639246 590598713 /nfs/dbraw/zinc/59/87/13/590598713.db2.gz FXAFEUJADYOEDR-CYBMUJFWSA-N 1 2 236.359 2.593 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@H]1CCC(C)(C)CO1 ZINC000878639246 590598715 /nfs/dbraw/zinc/59/87/15/590598715.db2.gz FXAFEUJADYOEDR-CYBMUJFWSA-N 1 2 236.359 2.593 20 30 BFEDLO C[C@H](C#N)[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC000878920151 590652325 /nfs/dbraw/zinc/65/23/25/590652325.db2.gz UXSQGTUKZHQISI-LLVKDONJSA-N 1 2 218.344 2.943 20 30 BFEDLO C[C@H](C#N)[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC000878920151 590652327 /nfs/dbraw/zinc/65/23/27/590652327.db2.gz UXSQGTUKZHQISI-LLVKDONJSA-N 1 2 218.344 2.943 20 30 BFEDLO CC(C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000127423789 590655741 /nfs/dbraw/zinc/65/57/41/590655741.db2.gz ZXVWKUAMLAFKGP-UHFFFAOYSA-N 1 2 226.707 2.580 20 30 BFEDLO C=C(Cl)C[N@H+]1CCc2ccc(F)cc2C1 ZINC000134046105 591878442 /nfs/dbraw/zinc/87/84/42/591878442.db2.gz FNGNKKULUFGNFY-UHFFFAOYSA-N 1 2 225.694 2.936 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134046105 591878445 /nfs/dbraw/zinc/87/84/45/591878445.db2.gz FNGNKKULUFGNFY-UHFFFAOYSA-N 1 2 225.694 2.936 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cccnc1Cl ZINC000135039747 591975467 /nfs/dbraw/zinc/97/54/67/591975467.db2.gz NQGIKWSPOFOSOY-JTQLQIEISA-N 1 2 223.707 2.517 20 30 BFEDLO C=CCCSCCNc1cc[nH+]c(CC)n1 ZINC000884554225 591977315 /nfs/dbraw/zinc/97/73/15/591977315.db2.gz PGMZOKOTQVSCQO-UHFFFAOYSA-N 1 2 237.372 2.760 20 30 BFEDLO C#CC[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000886365292 592219153 /nfs/dbraw/zinc/21/91/53/592219153.db2.gz FMKRERISTDWLAW-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO C#CC[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000886365292 592219156 /nfs/dbraw/zinc/21/91/56/592219156.db2.gz FMKRERISTDWLAW-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO C=CCC[NH2+][C@@](C)(C(=O)OCC)c1ccccc1 ZINC000887127175 592447480 /nfs/dbraw/zinc/44/74/80/592447480.db2.gz JQZLARVNRDONSY-OAHLLOKOSA-N 1 2 247.338 2.631 20 30 BFEDLO N#CCC[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150912 592463099 /nfs/dbraw/zinc/46/30/99/592463099.db2.gz CKYNEFLOFWYPKU-UHFFFAOYSA-N 1 2 242.322 2.717 20 30 BFEDLO N#CCC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150912 592463100 /nfs/dbraw/zinc/46/31/00/592463100.db2.gz CKYNEFLOFWYPKU-UHFFFAOYSA-N 1 2 242.322 2.717 20 30 BFEDLO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)on1 ZINC000933772634 631509020 /nfs/dbraw/zinc/50/90/20/631509020.db2.gz RRZZLYRDQXOOLY-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO Cc1cc(C[N@H+](C)Cc2cc(C#N)cs2)on1 ZINC000933772634 631509027 /nfs/dbraw/zinc/50/90/27/631509027.db2.gz RRZZLYRDQXOOLY-UHFFFAOYSA-N 1 2 247.323 2.548 20 30 BFEDLO Cc1csc(C[NH2+]CC#Cc2ccccc2)n1 ZINC000051814216 631937636 /nfs/dbraw/zinc/93/76/36/631937636.db2.gz BFQHZGXTOKUIKL-UHFFFAOYSA-N 1 2 242.347 2.593 20 30 BFEDLO COc1cccc2cc(C[NH2+]C[C@H](C)C#N)oc21 ZINC000054181023 636047699 /nfs/dbraw/zinc/04/76/99/636047699.db2.gz HJCNBMRPWMHNTJ-SNVBAGLBSA-N 1 2 244.294 2.691 20 30 BFEDLO C=C[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162697934 634283047 /nfs/dbraw/zinc/28/30/47/634283047.db2.gz ZMUNPXGKVNKQPN-MRVPVSSYSA-N 1 2 211.692 2.710 20 30 BFEDLO C=CCCCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908256538 638619793 /nfs/dbraw/zinc/61/97/93/638619793.db2.gz CBXHTNJBQFDKBC-UHFFFAOYSA-N 1 2 249.358 2.595 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000930867109 639957582 /nfs/dbraw/zinc/95/75/82/639957582.db2.gz GIGJZXFKEUUHSA-VIFPVBQESA-N 1 2 233.702 2.603 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930887524 639972908 /nfs/dbraw/zinc/97/29/08/639972908.db2.gz ZIURBOZFQHLONY-GFCCVEGCSA-N 1 2 246.354 2.817 20 30 BFEDLO C#C[C@@H]1CCC[N@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930887524 639972914 /nfs/dbraw/zinc/97/29/14/639972914.db2.gz ZIURBOZFQHLONY-GFCCVEGCSA-N 1 2 246.354 2.817 20 30 BFEDLO C[C@H](C#N)[N@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000930973082 640007188 /nfs/dbraw/zinc/00/71/88/640007188.db2.gz RHXYDUCNVJJYKH-NDBYEHHHSA-N 1 2 236.359 2.566 20 30 BFEDLO C[C@H](C#N)[N@@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000930973082 640007192 /nfs/dbraw/zinc/00/71/92/640007192.db2.gz RHXYDUCNVJJYKH-NDBYEHHHSA-N 1 2 236.359 2.566 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)ccc1C#N ZINC000932148934 640441356 /nfs/dbraw/zinc/44/13/56/640441356.db2.gz UEXATIICCVKKLT-CQSZACIVSA-N 1 2 239.322 2.602 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)ccc1C#N ZINC000932148934 640441358 /nfs/dbraw/zinc/44/13/58/640441358.db2.gz UEXATIICCVKKLT-CQSZACIVSA-N 1 2 239.322 2.602 20 30 BFEDLO C#CC[N@H+](Cc1noc2c1CCCC2)C(C)(C)C ZINC000932464637 640532835 /nfs/dbraw/zinc/53/28/35/640532835.db2.gz QYKUSGMJWLYMQG-UHFFFAOYSA-N 1 2 246.354 2.787 20 30 BFEDLO C#CC[N@@H+](Cc1noc2c1CCCC2)C(C)(C)C ZINC000932464637 640532839 /nfs/dbraw/zinc/53/28/39/640532839.db2.gz QYKUSGMJWLYMQG-UHFFFAOYSA-N 1 2 246.354 2.787 20 30 BFEDLO C#CC[N@H+](CC(=C)Br)C(C)(C)C ZINC000932462661 640534109 /nfs/dbraw/zinc/53/41/09/640534109.db2.gz CCCWYQWNVOZZMU-UHFFFAOYSA-N 1 2 230.149 2.629 20 30 BFEDLO C#CC[N@@H+](CC(=C)Br)C(C)(C)C ZINC000932462661 640534112 /nfs/dbraw/zinc/53/41/12/640534112.db2.gz CCCWYQWNVOZZMU-UHFFFAOYSA-N 1 2 230.149 2.629 20 30 BFEDLO C#CC[N@H+](Cc1ncccc1Cl)C(C)(C)C ZINC000932462261 640535887 /nfs/dbraw/zinc/53/58/87/640535887.db2.gz SSQNZZLOGQTIBV-UHFFFAOYSA-N 1 2 236.746 2.969 20 30 BFEDLO C#CC[N@@H+](Cc1ncccc1Cl)C(C)(C)C ZINC000932462261 640535892 /nfs/dbraw/zinc/53/58/92/640535892.db2.gz SSQNZZLOGQTIBV-UHFFFAOYSA-N 1 2 236.746 2.969 20 30 BFEDLO C#CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)C(C)(C)C ZINC000932464739 640538666 /nfs/dbraw/zinc/53/86/66/640538666.db2.gz KGXBHNNKCMWKPN-UHFFFAOYSA-N 1 2 246.354 2.548 20 30 BFEDLO C#CC[N@H+](CC(=O)c1cc(C)[nH]c1C)C(C)(C)C ZINC000932464739 640538671 /nfs/dbraw/zinc/53/86/71/640538671.db2.gz KGXBHNNKCMWKPN-UHFFFAOYSA-N 1 2 246.354 2.548 20 30 BFEDLO C[C@@H]1CCC(=O)C[N@@H+]1CCCCC(C)(C)C#N ZINC000932876119 640634521 /nfs/dbraw/zinc/63/45/21/640634521.db2.gz IDYVXWKDEQLNQU-GFCCVEGCSA-N 1 2 236.359 2.760 20 30 BFEDLO C[C@@H]1CCC(=O)C[N@H+]1CCCCC(C)(C)C#N ZINC000932876119 640634525 /nfs/dbraw/zinc/63/45/25/640634525.db2.gz IDYVXWKDEQLNQU-GFCCVEGCSA-N 1 2 236.359 2.760 20 30 BFEDLO C#CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000226804144 640798327 /nfs/dbraw/zinc/79/83/27/640798327.db2.gz NYTBTVGRPLQVEB-UHFFFAOYSA-N 1 2 228.217 2.926 20 30 BFEDLO Cc1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000595620194 640826740 /nfs/dbraw/zinc/82/67/40/640826740.db2.gz KCWFTEMTIYCSJY-LLVKDONJSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cnc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000595620194 640826743 /nfs/dbraw/zinc/82/67/43/640826743.db2.gz KCWFTEMTIYCSJY-LLVKDONJSA-N 1 2 235.356 2.577 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1csc(CC)n1 ZINC000934508573 641175998 /nfs/dbraw/zinc/17/59/98/641175998.db2.gz CTJVIQWNPBMHSB-LBPRGKRZSA-N 1 2 234.368 2.693 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1csc(CC)n1 ZINC000934508573 641176004 /nfs/dbraw/zinc/17/60/04/641176004.db2.gz CTJVIQWNPBMHSB-LBPRGKRZSA-N 1 2 234.368 2.693 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccnc(Cl)c1 ZINC000934510651 641178946 /nfs/dbraw/zinc/17/89/46/641178946.db2.gz BISSCMSXNYBDMT-LBPRGKRZSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000934510651 641178950 /nfs/dbraw/zinc/17/89/50/641178950.db2.gz BISSCMSXNYBDMT-LBPRGKRZSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000934512297 641181933 /nfs/dbraw/zinc/18/19/33/641181933.db2.gz JRXLORZRCDIIAN-GFCCVEGCSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000934512297 641181939 /nfs/dbraw/zinc/18/19/39/641181939.db2.gz JRXLORZRCDIIAN-GFCCVEGCSA-N 1 2 234.730 2.723 20 30 BFEDLO C=C[C@@H](CC)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000935755539 641476679 /nfs/dbraw/zinc/47/66/79/641476679.db2.gz HJWQYVAFGDKTOS-NSHDSACASA-N 1 2 243.310 2.875 20 30 BFEDLO CCCCN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000915970135 641890070 /nfs/dbraw/zinc/89/00/70/641890070.db2.gz ZELWVMNSQWYSQO-UHFFFAOYSA-N 1 2 249.358 2.994 20 30 BFEDLO C#CCCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000192111924 641961725 /nfs/dbraw/zinc/96/17/25/641961725.db2.gz NJZIMUDDRQOXRQ-UHFFFAOYSA-N 1 2 230.311 2.749 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cscc1Cl ZINC000307199812 642368561 /nfs/dbraw/zinc/36/85/61/642368561.db2.gz CZQPSKFJCIZJES-MRVPVSSYSA-N 1 2 213.733 2.855 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1cscc1Cl ZINC000307199812 642368549 /nfs/dbraw/zinc/36/85/49/642368549.db2.gz CZQPSKFJCIZJES-MRVPVSSYSA-N 1 2 213.733 2.855 20 30 BFEDLO C=C(C)COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181060490 642834867 /nfs/dbraw/zinc/83/48/67/642834867.db2.gz CFIYPHYDNVFFOR-UHFFFAOYSA-N 1 2 242.278 2.605 20 30 BFEDLO C#CCCC[NH2+]Cc1cccc(Cl)c1O ZINC000182491912 643027340 /nfs/dbraw/zinc/02/73/40/643027340.db2.gz WCNCXSAUEIZHOO-UHFFFAOYSA-N 1 2 223.703 2.549 20 30 BFEDLO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000097849354 643197805 /nfs/dbraw/zinc/19/78/05/643197805.db2.gz QJQGYUIOWHXBID-GFCCVEGCSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(F)cc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000097849354 643197809 /nfs/dbraw/zinc/19/78/09/643197809.db2.gz QJQGYUIOWHXBID-GFCCVEGCSA-N 1 2 232.302 2.870 20 30 BFEDLO C#CCO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000812236589 643239403 /nfs/dbraw/zinc/23/94/03/643239403.db2.gz SZRAHARPCBCTHM-UHFFFAOYSA-N 1 2 248.351 2.722 20 30 BFEDLO Cc1nc(C[NH2+]Cc2csc(C#N)c2)cs1 ZINC000921564823 643609536 /nfs/dbraw/zinc/60/95/36/643609536.db2.gz VUHJRPZYSHJCLN-UHFFFAOYSA-N 1 2 249.364 2.675 20 30 BFEDLO C=C(C)CCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000194952084 644354608 /nfs/dbraw/zinc/35/46/08/644354608.db2.gz NDNYKDWRYLXJIJ-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO C=CCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000740872721 644559318 /nfs/dbraw/zinc/55/93/18/644559318.db2.gz MDDNCZNWLMNPBW-UHFFFAOYSA-N 1 2 224.691 2.553 20 30 BFEDLO C#CCCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459215 644983625 /nfs/dbraw/zinc/98/36/25/644983625.db2.gz SULSNIVQOKYETO-UHFFFAOYSA-N 1 2 244.338 2.508 20 30 BFEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)o1 ZINC000827650202 645082288 /nfs/dbraw/zinc/08/22/88/645082288.db2.gz ORIJHDKVYYYWIU-ZDUSSCGKSA-N 1 2 218.300 2.632 20 30 BFEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)o1 ZINC000827650202 645082294 /nfs/dbraw/zinc/08/22/94/645082294.db2.gz ORIJHDKVYYYWIU-ZDUSSCGKSA-N 1 2 218.300 2.632 20 30 BFEDLO CC[N@H+](CCC#N)C[C@@]1(C)CC1(Cl)Cl ZINC000827969737 645089518 /nfs/dbraw/zinc/08/95/18/645089518.db2.gz VPESOWDOBSGAKZ-SECBINFHSA-N 1 2 235.158 2.806 20 30 BFEDLO CC[N@@H+](CCC#N)C[C@@]1(C)CC1(Cl)Cl ZINC000827969737 645089523 /nfs/dbraw/zinc/08/95/23/645089523.db2.gz VPESOWDOBSGAKZ-SECBINFHSA-N 1 2 235.158 2.806 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828040436 645091061 /nfs/dbraw/zinc/09/10/61/645091061.db2.gz HMMHATDAHZQHPB-IUCAKERBSA-N 1 2 235.158 2.804 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000828040436 645091068 /nfs/dbraw/zinc/09/10/68/645091068.db2.gz HMMHATDAHZQHPB-IUCAKERBSA-N 1 2 235.158 2.804 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C)nc1Cl ZINC000846980290 645411413 /nfs/dbraw/zinc/41/14/13/645411413.db2.gz HBSOXGWOYGXBPZ-LLVKDONJSA-N 1 2 237.734 2.825 20 30 BFEDLO CC[C@@H]([NH2+]C1CCC1)c1cccc(C#N)c1O ZINC000925378153 646257209 /nfs/dbraw/zinc/25/72/09/646257209.db2.gz VNSHIWNFABFAKT-CYBMUJFWSA-N 1 2 230.311 2.857 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccccc1CF ZINC000929808459 646329778 /nfs/dbraw/zinc/32/97/78/646329778.db2.gz GNCGJUPYJQXSLN-UHFFFAOYSA-N 1 2 206.264 2.502 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccccc1CF ZINC000929808459 646329783 /nfs/dbraw/zinc/32/97/83/646329783.db2.gz GNCGJUPYJQXSLN-UHFFFAOYSA-N 1 2 206.264 2.502 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929831785 646347444 /nfs/dbraw/zinc/34/74/44/646347444.db2.gz QHNSZIZRNQAOLL-SNVBAGLBSA-N 1 2 247.729 2.946 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929831785 646347452 /nfs/dbraw/zinc/34/74/52/646347452.db2.gz QHNSZIZRNQAOLL-SNVBAGLBSA-N 1 2 247.729 2.946 20 30 BFEDLO C=C(Cl)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190566692 711775981 /nfs/dbraw/zinc/77/59/81/711775981.db2.gz ATTIPLAIRIWFTL-UHFFFAOYSA-N 1 2 217.740 2.628 20 30 BFEDLO COc1cccc(/C=[NH+]/CCC(C)C)c1O ZINC000060802681 711835714 /nfs/dbraw/zinc/83/57/14/711835714.db2.gz RXGXYOZWZAFCSI-NTEUORMPSA-N 1 2 221.300 2.866 20 30 BFEDLO C#C[C@H](C)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705569881 712133045 /nfs/dbraw/zinc/13/30/45/712133045.db2.gz LBCFGPODEQGKCA-ZETCQYMHSA-N 1 2 229.657 2.730 20 30 BFEDLO C#C[C@@H](C)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705569880 712133064 /nfs/dbraw/zinc/13/30/64/712133064.db2.gz LBCFGPODEQGKCA-SSDOTTSWSA-N 1 2 229.657 2.730 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000826861846 712592686 /nfs/dbraw/zinc/59/26/86/712592686.db2.gz LLDVTGINSRFNTP-NSHDSACASA-N 1 2 245.326 2.678 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000826861846 712592687 /nfs/dbraw/zinc/59/26/87/712592687.db2.gz LLDVTGINSRFNTP-NSHDSACASA-N 1 2 245.326 2.678 20 30 BFEDLO C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2C#N)C[C@H](C)O1 ZINC000724858064 959826484 /nfs/dbraw/zinc/82/64/84/959826484.db2.gz HUSLEVDKPQGAEW-CRWXNKLISA-N 1 2 236.359 2.568 20 30 BFEDLO C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2C#N)C[C@H](C)O1 ZINC000724858064 959826489 /nfs/dbraw/zinc/82/64/89/959826489.db2.gz HUSLEVDKPQGAEW-CRWXNKLISA-N 1 2 236.359 2.568 20 30 BFEDLO C=C(C)CNc1cc(C(C)C)[nH+]c(C)n1 ZINC000709830315 961673124 /nfs/dbraw/zinc/67/31/24/961673124.db2.gz IMOVWUNDHFIRIH-UHFFFAOYSA-N 1 2 205.305 2.896 20 30 BFEDLO C=C(C)CNc1cc2cc(C)[nH]c2c[nH+]1 ZINC001163374299 965378096 /nfs/dbraw/zinc/37/80/96/965378096.db2.gz PFCFEYDRHVCXMA-UHFFFAOYSA-N 1 2 201.273 2.859 20 30 BFEDLO CC1(Nc2[nH+]cccc2CC#N)CCC1 ZINC001164025690 965703313 /nfs/dbraw/zinc/70/33/13/965703313.db2.gz YWTFBIIJZOMFEN-UHFFFAOYSA-N 1 2 201.273 2.502 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cncc(C)c1 ZINC001207157048 968667112 /nfs/dbraw/zinc/66/71/12/968667112.db2.gz TXVFPGURBJEBQN-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cncc(C)c1 ZINC001207157048 968667119 /nfs/dbraw/zinc/66/71/19/968667119.db2.gz TXVFPGURBJEBQN-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO C=C[C@](C)(O)CNc1c(C)cc[nH+]c1C(C)C ZINC001252548664 968787784 /nfs/dbraw/zinc/78/77/84/968787784.db2.gz UIRYKYMEKUXIDX-AWEZNQCLSA-N 1 2 234.343 2.862 20 30 BFEDLO CC[C@H](C#N)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255697975 970456809 /nfs/dbraw/zinc/45/68/09/970456809.db2.gz VDNSHDWZRGRQMR-BBBLOLIVSA-N 1 2 234.265 2.999 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@H]1CCO[C@H](CC)C1 ZINC001170235901 970608025 /nfs/dbraw/zinc/60/80/25/970608025.db2.gz PVDFELYAJCSDKN-QWHCGFSZSA-N 1 2 224.348 2.570 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc2ncsc2c1 ZINC001232737104 978255376 /nfs/dbraw/zinc/25/53/76/978255376.db2.gz RAPOXLQSIOPILP-UHFFFAOYSA-N 1 2 231.324 2.642 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc2ncsc2c1 ZINC001232737104 978255384 /nfs/dbraw/zinc/25/53/84/978255384.db2.gz RAPOXLQSIOPILP-UHFFFAOYSA-N 1 2 231.324 2.642 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cnc(C)cc1C ZINC001233007547 978399811 /nfs/dbraw/zinc/39/98/11/978399811.db2.gz ONWZEHGAUNKKOF-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cnc(C)cc1C ZINC001233007547 978399820 /nfs/dbraw/zinc/39/98/20/978399820.db2.gz ONWZEHGAUNKKOF-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(F)c(O)c(Cl)c1 ZINC001237997769 980122918 /nfs/dbraw/zinc/12/29/18/980122918.db2.gz OWNMYSGQSWUOMV-UHFFFAOYSA-N 1 2 229.682 2.803 20 30 BFEDLO CC(C)COCC[C@@H](C)[NH2+][C@](C)(C#N)C(C)C ZINC001172461623 974826409 /nfs/dbraw/zinc/82/64/09/974826409.db2.gz IPZOIIXSVNWYQY-ZIAGYGMSSA-N 1 2 240.391 2.965 20 30 BFEDLO C#C[C@H](CCCCC)OCc1c[nH+]cn1C ZINC001222594649 972591183 /nfs/dbraw/zinc/59/11/83/972591183.db2.gz IJVYZLOTFGUNTH-CYBMUJFWSA-N 1 2 220.316 2.519 20 30 BFEDLO Cc1cc(C#N)cc(C)c1-c1c[nH+]cn1C ZINC001222648406 972621671 /nfs/dbraw/zinc/62/16/71/972621671.db2.gz CLQKOVDNJXCZFJ-UHFFFAOYSA-N 1 2 211.268 2.576 20 30 BFEDLO Cc1ccc(-c2ccc[nH+]c2N)c(C)c1C#N ZINC001243474062 970767382 /nfs/dbraw/zinc/76/73/82/970767382.db2.gz SESLJCSOGSXMOX-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO CCCCCCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001329200354 973553676 /nfs/dbraw/zinc/55/36/76/973553676.db2.gz CBYMRDSEEFWJMQ-GFCCVEGCSA-N 1 2 237.347 2.531 20 30 BFEDLO Cc1cc(-c2ccccc2OCC#N)c[nH+]c1N ZINC001243587862 970823291 /nfs/dbraw/zinc/82/32/91/970823291.db2.gz UXPMKKTXOQIYRE-UHFFFAOYSA-N 1 2 239.278 2.542 20 30 BFEDLO CCOC1CCC([NH2+][C@@H](C#N)CC(C)C)CC1 ZINC001256431727 970833045 /nfs/dbraw/zinc/83/30/45/970833045.db2.gz IPQXFVPAMRCJKK-ROKHWSDSSA-N 1 2 238.375 2.862 20 30 BFEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CCC(C#N)CC1 ZINC001256964126 971038956 /nfs/dbraw/zinc/03/89/56/971038956.db2.gz VOKVIFFMOJPFIQ-RUXDESIVSA-N 1 2 233.359 2.987 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257085115 971095666 /nfs/dbraw/zinc/09/56/66/971095666.db2.gz IPJQSVBPYWFNNX-YRGRVCCFSA-N 1 2 238.375 2.860 20 30 BFEDLO Cc1c[nH+]c(C)c(Nc2ncccc2C#N)c1 ZINC000404483883 971171480 /nfs/dbraw/zinc/17/14/80/971171480.db2.gz LWQLBXRLKUJMPO-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO Cc1csc(C[NH2+]CC2(C#N)CCCC2)n1 ZINC000405151422 971201119 /nfs/dbraw/zinc/20/11/19/971201119.db2.gz FMCHXYGTSZETST-UHFFFAOYSA-N 1 2 235.356 2.625 20 30 BFEDLO CCCCCC[C@H](CC)N1CC[NH2+]C[C@H]1C#N ZINC001170593195 971308571 /nfs/dbraw/zinc/30/85/71/971308571.db2.gz QMXSZKKRQWKNLL-UONOGXRCSA-N 1 2 237.391 2.533 20 30 BFEDLO CC(C)OC1CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001257885841 971518413 /nfs/dbraw/zinc/51/84/13/971518413.db2.gz XFZRFWSOLZSOTM-HIFPTAJRSA-N 1 2 224.348 2.566 20 30 BFEDLO CC(C)OC1CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001257885841 971518422 /nfs/dbraw/zinc/51/84/22/971518422.db2.gz XFZRFWSOLZSOTM-HIFPTAJRSA-N 1 2 224.348 2.566 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000812793951 971543496 /nfs/dbraw/zinc/54/34/96/971543496.db2.gz KZWAQDWXADJCMC-CQSZACIVSA-N 1 2 229.254 2.883 20 30 BFEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720559 971649984 /nfs/dbraw/zinc/64/99/84/971649984.db2.gz MTIXNXRSTLBILJ-NRWUCQMLSA-N 1 2 220.360 2.949 20 30 BFEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720558 971651793 /nfs/dbraw/zinc/65/17/93/971651793.db2.gz MTIXNXRSTLBILJ-GFQSEFKGSA-N 1 2 220.360 2.949 20 30 BFEDLO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCCC[C@H]3C#N)C[C@@H]21 ZINC001170761977 971741512 /nfs/dbraw/zinc/74/15/12/971741512.db2.gz PTOAGFYOIKIISY-RVMXOQNASA-N 1 2 218.344 2.799 20 30 BFEDLO CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@H]3C#N)C[C@@H]21 ZINC001170761977 971741521 /nfs/dbraw/zinc/74/15/21/971741521.db2.gz PTOAGFYOIKIISY-RVMXOQNASA-N 1 2 218.344 2.799 20 30 BFEDLO C=C[C@@H](C#CC(C)(C)C)Oc1cc(N)cc[nH+]1 ZINC001218412541 971782003 /nfs/dbraw/zinc/78/20/03/971782003.db2.gz BQTKAJXCGDXMKC-LBPRGKRZSA-N 1 2 230.311 2.647 20 30 BFEDLO C=C[C@@H](CCCC)Oc1cc(N)cc[nH+]1 ZINC001218436128 971814925 /nfs/dbraw/zinc/81/49/25/971814925.db2.gz JBAHKDKFGCUFGK-NSHDSACASA-N 1 2 206.289 2.787 20 30 BFEDLO C#C[C@H](C)Nc1cc(C)[nH+]c(C(C)(C)C)n1 ZINC000309747139 971822439 /nfs/dbraw/zinc/82/24/39/971822439.db2.gz FVUNMNSKKAKNCO-VIFPVBQESA-N 1 2 217.316 2.516 20 30 BFEDLO C#CC[N@@H+](Cc1nc(Cl)cs1)CC1CC1 ZINC001331039629 974568339 /nfs/dbraw/zinc/56/83/39/974568339.db2.gz ARGFYHFVDPZNNB-UHFFFAOYSA-N 1 2 240.759 2.642 20 30 BFEDLO C#CC[N@H+](Cc1nc(Cl)cs1)CC1CC1 ZINC001331039629 974568351 /nfs/dbraw/zinc/56/83/51/974568351.db2.gz ARGFYHFVDPZNNB-UHFFFAOYSA-N 1 2 240.759 2.642 20 30 BFEDLO C[C@@H]1CC[C@H]([NH2+]C2(C#N)CCC2)C[C@@H]1C ZINC001172357045 974626016 /nfs/dbraw/zinc/62/60/16/974626016.db2.gz AQUZYMGAAABVEP-WOPDTQHZSA-N 1 2 206.333 2.847 20 30 BFEDLO C=C(C)CN(CC)c1[nH+]ccc(C)c1NC(C)=O ZINC001167051046 956924881 /nfs/dbraw/zinc/92/48/81/956924881.db2.gz QINFNKHOQUSXCS-UHFFFAOYSA-N 1 2 247.342 2.751 20 30 BFEDLO COc1cccc2c(NCCCS)cc[nH+]c12 ZINC001171002974 972229342 /nfs/dbraw/zinc/22/93/42/972229342.db2.gz FQMODJOERJAPST-UHFFFAOYSA-N 1 2 248.351 2.975 20 30 BFEDLO Cc1cc(C)c(Nc2ncccc2C#N)c[nH+]1 ZINC001213505806 957023273 /nfs/dbraw/zinc/02/32/73/957023273.db2.gz QEVPVEULUAZARK-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO C=CCc1cc(C)c[nH+]c1NCc1cncnc1 ZINC001167256034 957594324 /nfs/dbraw/zinc/59/43/24/957594324.db2.gz FIXJEGUIFZOPFD-UHFFFAOYSA-N 1 2 240.310 2.521 20 30 BFEDLO N#Cc1ccnnc1Nc1ccc2c[nH+]ccc2c1 ZINC001210046177 957627841 /nfs/dbraw/zinc/62/78/41/957627841.db2.gz ANAYVIZSBGRHKF-UHFFFAOYSA-N 1 2 247.261 2.640 20 30 BFEDLO CSc1cc(Nc2cncc(C#N)c2)cc[nH+]1 ZINC001210085283 957636781 /nfs/dbraw/zinc/63/67/81/957636781.db2.gz OQPQFYCXFZZUEO-UHFFFAOYSA-N 1 2 242.307 2.814 20 30 BFEDLO Cc1cc(C#N)ccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210288695 957716442 /nfs/dbraw/zinc/71/64/42/957716442.db2.gz SKAMGIVAZBXHCQ-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)oc1C ZINC001204538696 958013615 /nfs/dbraw/zinc/01/36/15/958013615.db2.gz HTULMAYZMYLESQ-CYBMUJFWSA-N 1 2 218.300 2.632 20 30 BFEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)oc1C ZINC001204538696 958013640 /nfs/dbraw/zinc/01/36/40/958013640.db2.gz HTULMAYZMYLESQ-CYBMUJFWSA-N 1 2 218.300 2.632 20 30 BFEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccncc1 ZINC000588386310 958128741 /nfs/dbraw/zinc/12/87/41/958128741.db2.gz CSFAFOMVMLNTKG-PLNGDYQASA-N 1 2 249.273 2.625 20 30 BFEDLO Cc1c[nH+]cc(Nc2cccc(C#N)n2)c1C ZINC001213525075 958202692 /nfs/dbraw/zinc/20/26/92/958202692.db2.gz NBCSDVNPROTNTL-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO Cc1c(F)cc(F)cc1C[NH+]1CC(CC#N)C1 ZINC001143757969 972362613 /nfs/dbraw/zinc/36/26/13/972362613.db2.gz STGMKXIROFDYJI-UHFFFAOYSA-N 1 2 236.265 2.619 20 30 BFEDLO C[C@@H](OCCn1cc[nH+]c1)c1ccccc1C#N ZINC001222139128 972386480 /nfs/dbraw/zinc/38/64/80/972386480.db2.gz OBXKGIQMZFHSFA-GFCCVEGCSA-N 1 2 241.294 2.533 20 30 BFEDLO CC#CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000309321392 959846137 /nfs/dbraw/zinc/84/61/37/959846137.db2.gz FHDDSWARVPMPSK-UHFFFAOYSA-N 1 2 241.693 2.688 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccc(O)c(F)c1F ZINC001140893916 960680899 /nfs/dbraw/zinc/68/08/99/960680899.db2.gz LHOOKKSCNJLRPN-UHFFFAOYSA-N 1 2 239.265 2.844 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cnccc1C ZINC001141035253 960823397 /nfs/dbraw/zinc/82/33/97/960823397.db2.gz RMGXNOKHXXGMQT-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cnccc1C ZINC001141035253 960823404 /nfs/dbraw/zinc/82/34/04/960823404.db2.gz RMGXNOKHXXGMQT-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO C#CCCCCC[N@@H+]1OC2CCC1CC2 ZINC000687266210 961251933 /nfs/dbraw/zinc/25/19/33/961251933.db2.gz GETMCCLLAAOTCD-UHFFFAOYSA-N 1 2 207.317 2.738 20 30 BFEDLO C#CCCCCC[N@H+]1OC2CCC1CC2 ZINC000687266210 961251951 /nfs/dbraw/zinc/25/19/51/961251951.db2.gz GETMCCLLAAOTCD-UHFFFAOYSA-N 1 2 207.317 2.738 20 30 BFEDLO C[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1C#N ZINC001139687352 961255827 /nfs/dbraw/zinc/25/58/27/961255827.db2.gz OKVZXAZLVSYGIT-VIFPVBQESA-N 1 2 220.703 2.806 20 30 BFEDLO C[C@H]1CC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139687352 961255847 /nfs/dbraw/zinc/25/58/47/961255847.db2.gz OKVZXAZLVSYGIT-VIFPVBQESA-N 1 2 220.703 2.806 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cccc2nc[nH]c21 ZINC001142686578 961623318 /nfs/dbraw/zinc/62/33/18/961623318.db2.gz FYWPIYCWUFLUKM-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cccc2nc[nH]c21 ZINC001142686578 961623327 /nfs/dbraw/zinc/62/33/27/961623327.db2.gz FYWPIYCWUFLUKM-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO C=C(C)CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001280275819 963095113 /nfs/dbraw/zinc/09/51/13/963095113.db2.gz QTQPAGGBIPPVHR-UHFFFAOYSA-N 1 2 229.283 2.629 20 30 BFEDLO C#CCNc1cc(C)c2cc(OC)ccc2[nH+]1 ZINC001155650951 963134973 /nfs/dbraw/zinc/13/49/73/963134973.db2.gz QWGRKIJPOFCDHJ-UHFFFAOYSA-N 1 2 226.279 2.597 20 30 BFEDLO C=C(C)CNc1cc(CSC)cc[nH+]1 ZINC001155661979 963148216 /nfs/dbraw/zinc/14/82/16/963148216.db2.gz NOCZVYGOCUBAPB-UHFFFAOYSA-N 1 2 208.330 2.933 20 30 BFEDLO C[C@H]1C[C@H]([NH2+]C2(C#N)CCCCCC2)CCO1 ZINC001168075267 963611185 /nfs/dbraw/zinc/61/11/85/963611185.db2.gz OHXNVSSTBYTIEK-QWHCGFSZSA-N 1 2 236.359 2.760 20 30 BFEDLO C#C[C@@](C)(CC)Nc1[nH+]ccc(F)c1C ZINC001158739002 963913879 /nfs/dbraw/zinc/91/38/79/963913879.db2.gz YTODQPXXXSSCBY-LBPRGKRZSA-N 1 2 206.264 2.743 20 30 BFEDLO C=CCCCNc1[nH+]cccc1CC(=O)OCC ZINC001159259827 964036891 /nfs/dbraw/zinc/03/68/91/964036891.db2.gz TZAXYANVPYPPFR-UHFFFAOYSA-N 1 2 248.326 2.565 20 30 BFEDLO N#CCc1cc[nH+]c(NCC#Cc2ccccc2)c1 ZINC001159375979 964072431 /nfs/dbraw/zinc/07/24/31/964072431.db2.gz QBXIXRNWJKIOQL-UHFFFAOYSA-N 1 2 247.301 2.611 20 30 BFEDLO Cc1nc2[nH]ccc2c(NCC#CC(C)(C)C)[nH+]1 ZINC001160393124 964296353 /nfs/dbraw/zinc/29/63/53/964296353.db2.gz QPWOMSIPCJXRIA-UHFFFAOYSA-N 1 2 242.326 2.679 20 30 BFEDLO SCc1ccccc1NCCCn1cc[nH+]c1 ZINC001161688304 964683239 /nfs/dbraw/zinc/68/32/39/964683239.db2.gz OJTNEKWZZSAIQS-UHFFFAOYSA-N 1 2 247.367 2.815 20 30 BFEDLO N#CCc1ccc[nH+]c1NCCC(F)(F)F ZINC001161820260 964770897 /nfs/dbraw/zinc/77/08/97/964770897.db2.gz MRKMLCLFXFLUPR-UHFFFAOYSA-N 1 2 229.205 2.512 20 30 BFEDLO Cc1ncc(CNc2[nH+]cccc2CC#N)s1 ZINC001162155259 964858148 /nfs/dbraw/zinc/85/81/48/964858148.db2.gz PVYHMCBSMKVUNX-UHFFFAOYSA-N 1 2 244.323 2.525 20 30 BFEDLO C#CCCCCNc1cc(CC)[nH+]c(CC)n1 ZINC001162806052 965186507 /nfs/dbraw/zinc/18/65/07/965186507.db2.gz MDMXYZUWJGNQNS-UHFFFAOYSA-N 1 2 231.343 2.817 20 30 BFEDLO CC#CCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919150190 966296727 /nfs/dbraw/zinc/29/67/27/966296727.db2.gz INELLRRFYGRCSU-UHFFFAOYSA-N 1 2 224.307 2.887 20 30 BFEDLO C#C[C@H]1CCCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001167006341 966515774 /nfs/dbraw/zinc/51/57/74/966515774.db2.gz BREMBAUNOKLFSV-LBPRGKRZSA-N 1 2 226.323 2.809 20 30 BFEDLO C#C[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001167007794 966520253 /nfs/dbraw/zinc/52/02/53/966520253.db2.gz PMQGNZCKAUIVDS-CYBMUJFWSA-N 1 2 243.354 2.758 20 30 BFEDLO C#Cc1cccc(Nc2ccc(NC)[nH+]c2)c1 ZINC001203455388 966652707 /nfs/dbraw/zinc/65/27/07/966652707.db2.gz SGWAMUUVSLGGNZ-UHFFFAOYSA-N 1 2 223.279 2.848 20 30 BFEDLO CNc1ccc(Nc2ccc(C#N)c(F)c2)c[nH+]1 ZINC001203456382 966653620 /nfs/dbraw/zinc/65/36/20/966653620.db2.gz DTMLTQKYXYGWNW-UHFFFAOYSA-N 1 2 242.257 2.878 20 30 BFEDLO Cc1nc(C#N)c(Nc2cc(C)c[nH+]c2C)o1 ZINC001203656590 966719439 /nfs/dbraw/zinc/71/94/39/966719439.db2.gz WEYUVSYPFWCIPU-UHFFFAOYSA-N 1 2 228.255 2.610 20 30 BFEDLO Cc1c[nH+]c(C)c(Nc2c(N)cccc2C#N)c1 ZINC001203666769 966733299 /nfs/dbraw/zinc/73/32/99/966733299.db2.gz GKHJRINNCJFRRD-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO CNc1ccc(Nc2ccccc2CC#N)c[nH+]1 ZINC001203457922 966879169 /nfs/dbraw/zinc/87/91/69/966879169.db2.gz DLZIKPWWAQDVLO-UHFFFAOYSA-N 1 2 238.294 2.933 20 30 BFEDLO CSc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204142254 966903172 /nfs/dbraw/zinc/90/31/72/966903172.db2.gz KKORLXOMSUBAGE-LBPRGKRZSA-N 1 2 232.352 2.754 20 30 BFEDLO CSc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001204142254 966903176 /nfs/dbraw/zinc/90/31/76/966903176.db2.gz KKORLXOMSUBAGE-LBPRGKRZSA-N 1 2 232.352 2.754 20 30 BFEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001204303943 966965777 /nfs/dbraw/zinc/96/57/77/966965777.db2.gz UWWWRAAHSSTALO-CQSZACIVSA-N 1 2 242.322 2.597 20 30 BFEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001204303943 966965784 /nfs/dbraw/zinc/96/57/84/966965784.db2.gz UWWWRAAHSSTALO-CQSZACIVSA-N 1 2 242.322 2.597 20 30 BFEDLO Cc1cc(Nc2ccn3cc[nH+]c3c2)cnc1C#N ZINC001204965838 967266866 /nfs/dbraw/zinc/26/68/66/967266866.db2.gz HYXYGSUKRVMLJM-UHFFFAOYSA-N 1 2 249.277 2.653 20 30 BFEDLO N#Cc1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204971341 967270329 /nfs/dbraw/zinc/27/03/29/967270329.db2.gz IHICBORNKRRNES-UHFFFAOYSA-N 1 2 234.262 2.950 20 30 BFEDLO N#Cc1ccccc1Nc1ccn2cc[nH+]c2c1 ZINC001204976997 967272049 /nfs/dbraw/zinc/27/20/49/967272049.db2.gz AKUSDOBSIMUPSZ-UHFFFAOYSA-N 1 2 234.262 2.950 20 30 BFEDLO CN(C)c1ccc(Cc2cccc(C#N)c2)c[nH+]1 ZINC001250049773 967310125 /nfs/dbraw/zinc/31/01/25/967310125.db2.gz CBUZQSJTLNYJFW-UHFFFAOYSA-N 1 2 237.306 2.610 20 30 BFEDLO Cc1ccnc(-c2ccc3[nH+]ccn3c2)c1C#N ZINC001240214349 967424140 /nfs/dbraw/zinc/42/41/40/967424140.db2.gz ONQDLJWWBCKFCD-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC001205478853 967640341 /nfs/dbraw/zinc/64/03/41/967640341.db2.gz AWIRQFSSCMVXOB-UHFFFAOYSA-N 1 2 245.301 2.823 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC001205478853 967640350 /nfs/dbraw/zinc/64/03/50/967640350.db2.gz AWIRQFSSCMVXOB-UHFFFAOYSA-N 1 2 245.301 2.823 20 30 BFEDLO N#C[C@@H]1CC=C(CCn2cc[nH+]c2)CC1 ZINC001250318489 967690953 /nfs/dbraw/zinc/69/09/53/967690953.db2.gz GGZQNVSZUZYZCO-GFCCVEGCSA-N 1 2 201.273 2.523 20 30 BFEDLO N#C[C@@H]1CC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168739835 967705960 /nfs/dbraw/zinc/70/59/60/967705960.db2.gz QWNVVZTVJFCNQY-CMPLNLGQSA-N 1 2 246.741 2.653 20 30 BFEDLO N#C[C@@H]1CC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168739835 967705970 /nfs/dbraw/zinc/70/59/70/967705970.db2.gz QWNVVZTVJFCNQY-CMPLNLGQSA-N 1 2 246.741 2.653 20 30 BFEDLO C#CCCc1[nH]c2cc(C)c(F)cc2[nH+]1 ZINC001250606379 968153540 /nfs/dbraw/zinc/15/35/40/968153540.db2.gz LFOGPTZKUFQSKK-UHFFFAOYSA-N 1 2 202.232 2.576 20 30 BFEDLO CC(=O)C=C(C)Nc1ccc(C)c(C)[nH+]1 ZINC001155890338 969115695 /nfs/dbraw/zinc/11/56/95/969115695.db2.gz LUONRQXPMAHSHL-CLFYSBASSA-N 1 2 204.273 2.603 20 30 BFEDLO C=C[C@H](O)CNc1cc(C)[nH+]c2sccc21 ZINC001253570713 969243744 /nfs/dbraw/zinc/24/37/44/969243744.db2.gz ARCRVYRKHYLCIA-VIFPVBQESA-N 1 2 234.324 2.564 20 30 BFEDLO C=CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001209207210 969393180 /nfs/dbraw/zinc/39/31/80/969393180.db2.gz OMHMOGFVDZHHKR-KGLIPLIRSA-N 1 2 222.376 2.511 20 30 BFEDLO C=CCCCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209423376 969490882 /nfs/dbraw/zinc/49/08/82/969490882.db2.gz NOYBFYKYLIFQJJ-GFCCVEGCSA-N 1 2 247.329 2.825 20 30 BFEDLO C=CCCCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209423376 969490890 /nfs/dbraw/zinc/49/08/90/969490890.db2.gz NOYBFYKYLIFQJJ-GFCCVEGCSA-N 1 2 247.329 2.825 20 30 BFEDLO Cc1c[nH+]c(Nc2cncc(C#N)c2)c(C)c1 ZINC001210083370 969790631 /nfs/dbraw/zinc/79/06/31/969790631.db2.gz KOVDDOSTBZAVKZ-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO CCc1[nH+]ccc(C)c1Nc1cncc(C#N)c1 ZINC001210085017 969791841 /nfs/dbraw/zinc/79/18/41/969791841.db2.gz DWAFKRFYQJORMR-UHFFFAOYSA-N 1 2 238.294 2.963 20 30 BFEDLO CCn1c[nH+]c(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001210150613 969812723 /nfs/dbraw/zinc/81/27/23/969812723.db2.gz HEOXKJBWSOQXCF-UHFFFAOYSA-N 1 2 233.315 2.588 20 30 BFEDLO C#C[C@](C)(CC)Nc1c[nH+]cc(C)c1C ZINC001169701937 969828066 /nfs/dbraw/zinc/82/80/66/969828066.db2.gz XAEHWBUWAUMYJN-CYBMUJFWSA-N 1 2 202.301 2.912 20 30 BFEDLO Cc1[nH+]cc(Nc2ccc(F)c(C#N)c2)cc1N ZINC001210288895 969855685 /nfs/dbraw/zinc/85/56/85/969855685.db2.gz WKWGSQGMNOIOGZ-UHFFFAOYSA-N 1 2 242.257 2.727 20 30 BFEDLO Cc1ccc(Nc2c[nH+]c(C)c(N)c2)cc1C#N ZINC001210288898 969856251 /nfs/dbraw/zinc/85/62/51/969856251.db2.gz YKCGIVJMHOHGJT-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO Cc1[nH+]cc(Nc2cccc(C#N)c2F)cc1N ZINC001210288567 969856669 /nfs/dbraw/zinc/85/66/69/969856669.db2.gz SUWXGSYNJKHRDZ-UHFFFAOYSA-N 1 2 242.257 2.727 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+]C1CCSCC1 ZINC001255086030 969916397 /nfs/dbraw/zinc/91/63/97/969916397.db2.gz XIWYYIHVVMTBJJ-LLVKDONJSA-N 1 2 212.362 2.554 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CCSCC1 ZINC001255088098 969920952 /nfs/dbraw/zinc/92/09/52/969920952.db2.gz WAIGEVWKSPCDOI-GFCCVEGCSA-N 1 2 226.389 2.800 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCOc2cc(F)ccc21 ZINC001255158213 969968100 /nfs/dbraw/zinc/96/81/00/969968100.db2.gz FVPKKKLSYNZTOB-DGCLKSJQSA-N 1 2 248.301 2.931 20 30 BFEDLO CC[C@@H](CC#N)[N@H+](C)Cc1cccc(O)c1 ZINC001255164892 969977332 /nfs/dbraw/zinc/97/73/32/969977332.db2.gz PUCQIAUCLIPBDP-LBPRGKRZSA-N 1 2 218.300 2.516 20 30 BFEDLO CC[C@@H](CC#N)[N@@H+](C)Cc1cccc(O)c1 ZINC001255164892 969977339 /nfs/dbraw/zinc/97/73/39/969977339.db2.gz PUCQIAUCLIPBDP-LBPRGKRZSA-N 1 2 218.300 2.516 20 30 BFEDLO CC[C@H](CC#N)[N@@H+]1CCc2cccc(OC)c2C1 ZINC001255165102 969977367 /nfs/dbraw/zinc/97/73/67/969977367.db2.gz SZQSLYNOHYCQBJ-CYBMUJFWSA-N 1 2 244.338 2.746 20 30 BFEDLO CC[C@H](CC#N)[N@H+]1CCc2cccc(OC)c2C1 ZINC001255165102 969977374 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FXYSNAPHYWPGBL-UHFFFAOYSA-N 1 2 243.241 2.845 20 30 BFEDLO C#Cc1cc(NC=CCc2ccccc2)cc[nH+]1 ZINC001176215731 977991520 /nfs/dbraw/zinc/99/15/20/977991520.db2.gz KPYRRHJXDFSABB-IZZDOVSWSA-N 1 2 234.302 2.653 20 30 BFEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)C2(CC2)C1 ZINC001232677392 978239445 /nfs/dbraw/zinc/23/94/45/978239445.db2.gz CHBSXBPOQMCBJU-NSHDSACASA-N 1 2 242.322 2.638 20 30 BFEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C2(CC2)C1 ZINC001232677392 978239456 /nfs/dbraw/zinc/23/94/56/978239456.db2.gz CHBSXBPOQMCBJU-NSHDSACASA-N 1 2 242.322 2.638 20 30 BFEDLO C[N@H+](CCC#N)Cc1cccc2ncsc21 ZINC001232731229 978250640 /nfs/dbraw/zinc/25/06/40/978250640.db2.gz DXLKMGXWQGSLJF-UHFFFAOYSA-N 1 2 231.324 2.642 20 30 BFEDLO C[N@@H+](CCC#N)Cc1cccc2ncsc21 ZINC001232731229 978250653 /nfs/dbraw/zinc/25/06/53/978250653.db2.gz DXLKMGXWQGSLJF-UHFFFAOYSA-N 1 2 231.324 2.642 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cc(O)cc(OC)c1 ZINC001232804361 978298552 /nfs/dbraw/zinc/29/85/52/978298552.db2.gz XTRXRBYIKBDEIF-UHFFFAOYSA-N 1 2 248.326 2.526 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cc(O)cc(OC)c1 ZINC001232804361 978298559 /nfs/dbraw/zinc/29/85/59/978298559.db2.gz XTRXRBYIKBDEIF-UHFFFAOYSA-N 1 2 248.326 2.526 20 30 BFEDLO C[N@H+](CCC#N)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232818682 978302462 /nfs/dbraw/zinc/30/24/62/978302462.db2.gz OKYBKWPWPZSFOR-UHFFFAOYSA-N 1 2 248.717 2.562 20 30 BFEDLO C[N@@H+](CCC#N)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232818682 978302471 /nfs/dbraw/zinc/30/24/71/978302471.db2.gz OKYBKWPWPZSFOR-UHFFFAOYSA-N 1 2 248.717 2.562 20 30 BFEDLO Cc1ccc(C[NH+]2CCC(C#N)CC2)c(C#N)c1 ZINC001232961880 978363235 /nfs/dbraw/zinc/36/32/35/978363235.db2.gz HUVQUKWHVOELRN-UHFFFAOYSA-N 1 2 239.322 2.602 20 30 BFEDLO Cc1ccc(C[N@H+](C)Cc2[nH]ccc2C#N)cc1 ZINC001233045925 978425746 /nfs/dbraw/zinc/42/57/46/978425746.db2.gz YWWLDSHCAWWBMZ-UHFFFAOYSA-N 1 2 239.322 2.827 20 30 BFEDLO Cc1ccc(C[N@@H+](C)Cc2[nH]ccc2C#N)cc1 ZINC001233045925 978425757 /nfs/dbraw/zinc/42/57/57/978425757.db2.gz YWWLDSHCAWWBMZ-UHFFFAOYSA-N 1 2 239.322 2.827 20 30 BFEDLO Cc1ccccc1C[N@H+](C)Cc1[nH]ccc1C#N ZINC001233043677 978426017 /nfs/dbraw/zinc/42/60/17/978426017.db2.gz GWGMPLWQIHUMDT-UHFFFAOYSA-N 1 2 239.322 2.827 20 30 BFEDLO Cc1ccccc1C[N@@H+](C)Cc1[nH]ccc1C#N ZINC001233043677 978426024 /nfs/dbraw/zinc/42/60/24/978426024.db2.gz GWGMPLWQIHUMDT-UHFFFAOYSA-N 1 2 239.322 2.827 20 30 BFEDLO C[N@H+](CCC#N)Cc1cc2cccnc2s1 ZINC001233345074 978566031 /nfs/dbraw/zinc/56/60/31/978566031.db2.gz FHFMBBUHSLFMLJ-UHFFFAOYSA-N 1 2 231.324 2.642 20 30 BFEDLO C[N@@H+](CCC#N)Cc1cc2cccnc2s1 ZINC001233345074 978566037 /nfs/dbraw/zinc/56/60/37/978566037.db2.gz FHFMBBUHSLFMLJ-UHFFFAOYSA-N 1 2 231.324 2.642 20 30 BFEDLO CCC[N@@H+](Cc1ccc(C#N)cc1O)CC1CC1 ZINC001233382616 978593805 /nfs/dbraw/zinc/59/38/05/978593805.db2.gz BVEAHKNDEXXRCR-UHFFFAOYSA-N 1 2 244.338 2.886 20 30 BFEDLO CCC[N@H+](Cc1ccc(C#N)cc1O)CC1CC1 ZINC001233382616 978593812 /nfs/dbraw/zinc/59/38/12/978593812.db2.gz BVEAHKNDEXXRCR-UHFFFAOYSA-N 1 2 244.338 2.886 20 30 BFEDLO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccn1 ZINC001338549901 978704995 /nfs/dbraw/zinc/70/49/95/978704995.db2.gz KMBWCSBDBLDXPE-STQMWFEESA-N 1 2 242.326 2.566 20 30 BFEDLO C#C[C@@H](CC)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234587430 978864317 /nfs/dbraw/zinc/86/43/17/978864317.db2.gz AAISCRHMSOCLGP-LBPRGKRZSA-N 1 2 231.295 2.839 20 30 BFEDLO N#Cc1cc(F)c(C[NH+]2CC3CC(C3)C2)c(F)c1 ZINC001235666860 979111097 /nfs/dbraw/zinc/11/10/97/979111097.db2.gz MCGLJIKCXJHZNK-UHFFFAOYSA-N 1 2 248.276 2.678 20 30 BFEDLO Cc1ccc(-c2ccc(F)c(C#N)c2)[nH+]c1N ZINC001235889684 979179925 /nfs/dbraw/zinc/17/99/25/979179925.db2.gz BVHBLZRPJLDVGJ-UHFFFAOYSA-N 1 2 227.242 2.650 20 30 BFEDLO C=CCCCCCCCC[N@@H+]1CCN[C@H](C#N)C1 ZINC001235912729 979200912 /nfs/dbraw/zinc/20/09/12/979200912.db2.gz IYUZRDJCRJDTFE-OAHLLOKOSA-N 1 2 249.402 2.700 20 30 BFEDLO C=CCCCCCCCC[N@H+]1CCN[C@H](C#N)C1 ZINC001235912729 979200925 /nfs/dbraw/zinc/20/09/25/979200925.db2.gz IYUZRDJCRJDTFE-OAHLLOKOSA-N 1 2 249.402 2.700 20 30 BFEDLO N#CCCc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236313692 979519942 /nfs/dbraw/zinc/51/99/42/979519942.db2.gz WXYJQKPAODWTKA-UHFFFAOYSA-N 1 2 223.279 2.787 20 30 BFEDLO C#CC[N@H+](Cc1nc(C)sc1C)C(C)C ZINC001341986059 979614504 /nfs/dbraw/zinc/61/45/04/979614504.db2.gz NEYGFRAIJSOLNM-UHFFFAOYSA-N 1 2 222.357 2.604 20 30 BFEDLO C#CC[N@@H+](Cc1nc(C)sc1C)C(C)C ZINC001341986059 979614509 /nfs/dbraw/zinc/61/45/09/979614509.db2.gz NEYGFRAIJSOLNM-UHFFFAOYSA-N 1 2 222.357 2.604 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(F)c(O)c1 ZINC001236705632 979707067 /nfs/dbraw/zinc/70/70/67/979707067.db2.gz ODBDXJTYUWYNOI-UHFFFAOYSA-N 1 2 236.290 2.657 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)c(O)c1 ZINC001236705632 979707079 /nfs/dbraw/zinc/70/70/79/979707079.db2.gz ODBDXJTYUWYNOI-UHFFFAOYSA-N 1 2 236.290 2.657 20 30 BFEDLO COc1c(C)cccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001237512347 979928910 /nfs/dbraw/zinc/92/89/10/979928910.db2.gz BTLWGQMYSOTMKD-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1c(C)cccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001237512347 979928919 /nfs/dbraw/zinc/92/89/19/979928919.db2.gz BTLWGQMYSOTMKD-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO C=CC[N@@H+](C)Cc1cc(Cl)nc(Cl)c1O ZINC001237539761 979933315 /nfs/dbraw/zinc/93/33/15/979933315.db2.gz SZOLYCCCTCQICP-UHFFFAOYSA-N 1 2 247.125 2.712 20 30 BFEDLO C=CC[N@H+](C)Cc1cc(Cl)nc(Cl)c1O ZINC001237539761 979933322 /nfs/dbraw/zinc/93/33/22/979933322.db2.gz SZOLYCCCTCQICP-UHFFFAOYSA-N 1 2 247.125 2.712 20 30 BFEDLO N#Cc1ccc(/C=C/c2ccc(N)[nH+]c2)cc1 ZINC001239291370 980518433 /nfs/dbraw/zinc/51/84/33/980518433.db2.gz JKXWYHVUBXNJCT-ZZXKWVIFSA-N 1 2 221.263 2.706 20 30 BFEDLO C=C(CC(C)C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001347018911 980952406 /nfs/dbraw/zinc/95/24/06/980952406.db2.gz TWRSGKXJXHRSGV-UHFFFAOYSA-N 1 2 243.310 2.875 20 30 BFEDLO Cc1ccc(-c2ccc(C#N)c(F)c2)[nH+]c1N ZINC001240144017 981144315 /nfs/dbraw/zinc/14/43/15/981144315.db2.gz HFFPVHZSNUDINP-UHFFFAOYSA-N 1 2 227.242 2.650 20 30 BFEDLO CC#Cc1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218855 981170594 /nfs/dbraw/zinc/17/05/94/981170594.db2.gz MNTYAZLMSUXJKK-UHFFFAOYSA-N 1 2 233.274 2.768 20 30 BFEDLO Cc1cc(-c2ccn3cc[nH+]c3c2)nc(C)c1C#N ZINC001240503172 981430591 /nfs/dbraw/zinc/43/05/91/981430591.db2.gz IVXOVVRSXWIBNL-UHFFFAOYSA-N 1 2 248.289 2.885 20 30 BFEDLO Cc1ccc(-c2ccn3cc[nH+]c3c2)c(C#N)n1 ZINC001240508858 981432899 /nfs/dbraw/zinc/43/28/99/981432899.db2.gz MWPORPWTKDIERE-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO N#Cc1c(-c2cc[nH+]c(N)c2)ccc2ncccc21 ZINC001241170613 982315363 /nfs/dbraw/zinc/31/53/63/982315363.db2.gz RYKZKFXONIMLKH-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO Cc1cc[nH+]c(C)c1-c1ccnc(C#N)c1 ZINC001241192779 982340901 /nfs/dbraw/zinc/34/09/01/982340901.db2.gz BQHURXBIDQLLLH-UHFFFAOYSA-N 1 2 209.252 2.632 20 30 BFEDLO Cc1cc2[nH+]ccn2cc1-c1ccc(C#N)nc1 ZINC001241428336 982582273 /nfs/dbraw/zinc/58/22/73/982582273.db2.gz ISONGUIPTGRAJT-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO CC(C)c1cc([C@H]2CCC[N@H+](CCC#N)C2)[nH]n1 ZINC001352941639 982644220 /nfs/dbraw/zinc/64/42/20/982644220.db2.gz MYSBJENMHUFNIP-LBPRGKRZSA-N 1 2 246.358 2.626 20 30 BFEDLO CC(C)c1cc([C@H]2CCC[N@@H+](CCC#N)C2)[nH]n1 ZINC001352941639 982644228 /nfs/dbraw/zinc/64/42/28/982644228.db2.gz MYSBJENMHUFNIP-LBPRGKRZSA-N 1 2 246.358 2.626 20 30 BFEDLO Cc1cc(C#N)c(F)cc1Nc1ccc(N)[nH+]c1 ZINC001201291189 983168640 /nfs/dbraw/zinc/16/86/40/983168640.db2.gz FJZJLDIVOBMCFN-UHFFFAOYSA-N 1 2 242.257 2.727 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001200705006 983324703 /nfs/dbraw/zinc/32/47/03/983324703.db2.gz YSJBHKAOKWZRRH-UHFFFAOYSA-N 1 2 247.729 2.919 20 30 BFEDLO CCCCCCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001201761406 983465027 /nfs/dbraw/zinc/46/50/27/983465027.db2.gz COCAZQDXJYNFPJ-LBPRGKRZSA-N 1 2 229.339 2.960 20 30 BFEDLO CCCCCCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001201761406 983465035 /nfs/dbraw/zinc/46/50/35/983465035.db2.gz COCAZQDXJYNFPJ-LBPRGKRZSA-N 1 2 229.339 2.960 20 30 BFEDLO Cc1cc(-c2cncc(C#N)c2)c2[nH+]ccn2c1 ZINC001242273341 983496109 /nfs/dbraw/zinc/49/61/09/983496109.db2.gz WFAJHRNHJMYCBD-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO COc1cccc(-c2c[nH+]c(N)c(C)c2)c1C#N ZINC001242300164 983526897 /nfs/dbraw/zinc/52/68/97/983526897.db2.gz CACCPSGZPCDCMP-UHFFFAOYSA-N 1 2 239.278 2.520 20 30 BFEDLO Cc1cc(-c2cnc(C#N)c(C)c2)cn2cc[nH+]c12 ZINC001242356082 983636387 /nfs/dbraw/zinc/63/63/87/983636387.db2.gz HFAVEVYTOOOKMP-UHFFFAOYSA-N 1 2 248.289 2.885 20 30 BFEDLO CNc1cc(-c2cc(C)cc(C#N)c2)cc[nH+]1 ZINC001242479961 983807793 /nfs/dbraw/zinc/80/77/93/983807793.db2.gz SSFMVNYDAFXXJP-UHFFFAOYSA-N 1 2 223.279 2.970 20 30 BFEDLO C[C@@H]1CC(=O)C=C(c2cccc3[nH+]ccn32)C1 ZINC001242741196 984092706 /nfs/dbraw/zinc/09/27/06/984092706.db2.gz NPDNMPLZCGQKMN-JTQLQIEISA-N 1 2 226.279 2.717 20 30 BFEDLO C=C(C)CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001274969775 984428644 /nfs/dbraw/zinc/42/86/44/984428644.db2.gz OMRJAKVNDIJFMP-UHFFFAOYSA-N 1 2 229.283 2.629 20 30 BFEDLO Cn1c[nH+]cc1-c1cccc(CS)c1 ZINC001243069219 984487177 /nfs/dbraw/zinc/48/71/77/984487177.db2.gz CQHXPAZHROYWKG-UHFFFAOYSA-N 1 2 204.298 2.517 20 30 BFEDLO N#Cc1c[nH]c2ccc(-c3ccc[nH+]c3N)cc12 ZINC001243473941 985026504 /nfs/dbraw/zinc/02/65/04/985026504.db2.gz FZEIHGVQMYMJHV-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO N#CCc1cc(-c2ccc[nH+]c2N)ccc1F ZINC001243476792 985037897 /nfs/dbraw/zinc/03/78/97/985037897.db2.gz UTOWRFCSALUMSB-UHFFFAOYSA-N 1 2 227.242 2.536 20 30 BFEDLO N#CCOc1ccc(-c2cccc3[nH+]ccn32)cc1 ZINC001243591048 985145617 /nfs/dbraw/zinc/14/56/17/985145617.db2.gz SRKXCUVKCMJTRB-UHFFFAOYSA-N 1 2 249.273 2.904 20 30 BFEDLO CSCC[C@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001258203643 985616209 /nfs/dbraw/zinc/61/62/09/985616209.db2.gz HAVSMFVQTKOXMG-NSHDSACASA-N 1 2 226.389 2.944 20 30 BFEDLO N#Cc1c2c(cnc1C1=C[NH2+]CCC1)CCCC2 ZINC001243949528 985638038 /nfs/dbraw/zinc/63/80/38/985638038.db2.gz LNTXLPZPCRGWKJ-UHFFFAOYSA-N 1 2 239.322 2.556 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@@H](C)CCSC ZINC001258213320 985646024 /nfs/dbraw/zinc/64/60/24/985646024.db2.gz ZOEHKTPWPDZJGJ-JTQLQIEISA-N 1 2 214.378 2.800 20 30 BFEDLO Cc1c(-c2ccc(C#N)cc2N)ccc2[nH+]ccn21 ZINC001244093846 985808989 /nfs/dbraw/zinc/80/89/89/985808989.db2.gz PEESXEOYBTYKHB-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO Cc1cc[nH+]c(C)c1-c1ccc(N)c(C#N)c1 ZINC001244115303 985825358 /nfs/dbraw/zinc/82/53/58/985825358.db2.gz XBCHCVVFWAXLKV-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO C[C@H]1CCC[C@@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001258807354 986267884 /nfs/dbraw/zinc/26/78/84/986267884.db2.gz HDSZYVRILUDCFL-NWDGAFQWSA-N 1 2 206.333 2.991 20 30 BFEDLO N#Cc1c(Cl)cccc1-c1ccc[nH+]c1N ZINC001244725030 986324173 /nfs/dbraw/zinc/32/41/73/986324173.db2.gz SWHQXEQTCGZGFX-UHFFFAOYSA-N 1 2 229.670 2.856 20 30 BFEDLO CCCn1c[nH+]cc1CN(CC#N)C1CCCC1 ZINC001461935109 986416197 /nfs/dbraw/zinc/41/61/97/986416197.db2.gz HBHNRZOJDBPGKX-UHFFFAOYSA-N 1 2 246.358 2.561 20 30 BFEDLO CNc1cc(-c2cc(F)ccc2CC#N)cc[nH+]1 ZINC001244972493 986549320 /nfs/dbraw/zinc/54/93/20/986549320.db2.gz GRBLNAQGPVNDQE-UHFFFAOYSA-N 1 2 241.269 2.995 20 30 BFEDLO CC[C@H](CC#N)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC001255163929 986838476 /nfs/dbraw/zinc/83/84/76/986838476.db2.gz FHZMKTKDNWXOIY-CQSZACIVSA-N 1 2 244.338 2.746 20 30 BFEDLO CC[C@H](CC#N)[N@H+]1CCc2cc(OC)ccc2C1 ZINC001255163929 986838478 /nfs/dbraw/zinc/83/84/78/986838478.db2.gz FHZMKTKDNWXOIY-CQSZACIVSA-N 1 2 244.338 2.746 20 30 BFEDLO Cc1cc(-c2ccc(/C=N/O)c(F)c2)c[nH+]c1N ZINC001245539604 986924764 /nfs/dbraw/zinc/92/47/64/986924764.db2.gz HCEVROCMASALNI-REZTVBANSA-N 1 2 245.257 2.586 20 30 BFEDLO C#C[C@H]1COCC[N@H+]1Cc1ccccc1C(C)C ZINC001473539384 987473531 /nfs/dbraw/zinc/47/35/31/987473531.db2.gz GLBQSEXIOIQJCG-HNNXBMFYSA-N 1 2 243.350 2.644 20 30 BFEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccccc1C(C)C ZINC001473539384 987473537 /nfs/dbraw/zinc/47/35/37/987473537.db2.gz GLBQSEXIOIQJCG-HNNXBMFYSA-N 1 2 243.350 2.644 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1ncoc1C(C)C ZINC001117128681 987784791 /nfs/dbraw/zinc/78/47/91/987784791.db2.gz GRORMAVJCKMSRQ-UHFFFAOYSA-N 1 2 220.316 2.642 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1ncoc1C(C)C ZINC001117128681 987784794 /nfs/dbraw/zinc/78/47/94/987784794.db2.gz GRORMAVJCKMSRQ-UHFFFAOYSA-N 1 2 220.316 2.642 20 30 BFEDLO CC(C)Oc1ccc[nH+]c1N[C@@H]1CC[C@@H](C#N)C1 ZINC001321675134 987969693 /nfs/dbraw/zinc/96/96/93/987969693.db2.gz WYDGPPFORHEEMW-VXGBXAGGSA-N 1 2 245.326 2.973 20 30 BFEDLO CCC#C[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001322122730 988135175 /nfs/dbraw/zinc/13/51/75/988135175.db2.gz MIYMOUWZVVCHAR-LBPRGKRZSA-N 1 2 247.386 2.941 20 30 BFEDLO CCC#C[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001322122730 988135182 /nfs/dbraw/zinc/13/51/82/988135182.db2.gz MIYMOUWZVVCHAR-LBPRGKRZSA-N 1 2 247.386 2.941 20 30 BFEDLO CCCCC[C@@H](CCC)N1CC[NH2+]C[C@H]1C#N ZINC001246593657 988179963 /nfs/dbraw/zinc/17/99/63/988179963.db2.gz OGOMMKLJPXIPBO-ZIAGYGMSSA-N 1 2 237.391 2.533 20 30 BFEDLO C#CC[N@@H+](Cc1ncc(CC)s1)CC1CC1 ZINC001323786818 988613157 /nfs/dbraw/zinc/61/31/57/988613157.db2.gz YTIHUALMBFSRQJ-UHFFFAOYSA-N 1 2 234.368 2.551 20 30 BFEDLO C#CC[N@H+](Cc1ncc(CC)s1)CC1CC1 ZINC001323786818 988613192 /nfs/dbraw/zinc/61/31/92/988613192.db2.gz YTIHUALMBFSRQJ-UHFFFAOYSA-N 1 2 234.368 2.551 20 30 BFEDLO Cc1nnn([NH+]=C[C@H]2CCC[C@H](C)C2)c1C ZINC001119298855 988897144 /nfs/dbraw/zinc/89/71/44/988897144.db2.gz MIBZEKRIQWKQGZ-CABZTGNLSA-N 1 2 220.320 2.555 20 30 BFEDLO N#CCC[N@@H+](Cc1cccn1C1CC1)CC1CC1 ZINC001324644845 988897723 /nfs/dbraw/zinc/89/77/23/988897723.db2.gz AFAOFBLAYLWWQP-UHFFFAOYSA-N 1 2 243.354 2.949 20 30 BFEDLO N#CCC[N@H+](Cc1cccn1C1CC1)CC1CC1 ZINC001324644845 988897729 /nfs/dbraw/zinc/89/77/29/988897729.db2.gz AFAOFBLAYLWWQP-UHFFFAOYSA-N 1 2 243.354 2.949 20 30 BFEDLO Cc1nnn([NH+]=C[C@H]2CC(C)=C[C@H](C)C2)c1C ZINC001119299015 988899248 /nfs/dbraw/zinc/89/92/48/988899248.db2.gz NJORCPPKOYNCQS-TVQRCGJNSA-N 1 2 232.331 2.721 20 30 BFEDLO Cc1nnn([NH+]=C[C@@H]2CC(C)=C[C@H](C)C2)c1C ZINC001119299016 988899997 /nfs/dbraw/zinc/89/99/97/988899997.db2.gz NJORCPPKOYNCQS-ZANVPECISA-N 1 2 232.331 2.721 20 30 BFEDLO C[N@H+](Cc1cccn1C1CC1)CC(C)(C)C#N ZINC001325129061 989092028 /nfs/dbraw/zinc/09/20/28/989092028.db2.gz RPFRZRXVMYITPT-UHFFFAOYSA-N 1 2 231.343 2.805 20 30 BFEDLO C[N@@H+](Cc1cccn1C1CC1)CC(C)(C)C#N ZINC001325129061 989092035 /nfs/dbraw/zinc/09/20/35/989092035.db2.gz RPFRZRXVMYITPT-UHFFFAOYSA-N 1 2 231.343 2.805 20 30 BFEDLO C=C(C)CCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC001517910130 989256521 /nfs/dbraw/zinc/25/65/21/989256521.db2.gz CIBFIQFBEOGGAN-UHFFFAOYSA-N 1 2 248.326 2.547 20 30 BFEDLO N#Cc1ccc(Nc2cccn3cc[nH+]c23)cc1 ZINC001249704162 989343908 /nfs/dbraw/zinc/34/39/08/989343908.db2.gz DAKUJHDXVROGDD-UHFFFAOYSA-N 1 2 234.262 2.950 20 30 BFEDLO C=CC1CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001120815352 989897006 /nfs/dbraw/zinc/89/70/06/989897006.db2.gz TZOHFSKMWMGGSX-UHFFFAOYSA-N 1 2 220.291 2.932 20 30 BFEDLO C=CCC[C@H]1CCCN1c1nccn2c[nH+]cc12 ZINC001120975746 989993063 /nfs/dbraw/zinc/99/30/63/989993063.db2.gz FZULDPQJAJNVBB-LBPRGKRZSA-N 1 2 242.326 2.664 20 30 BFEDLO C=CC[NH+](CC=C)Cc1c(O)cccc1F ZINC001137838680 990856714 /nfs/dbraw/zinc/85/67/14/990856714.db2.gz HFJOOIGNBGBQMZ-UHFFFAOYSA-N 1 2 221.275 2.705 20 30 BFEDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)s1 ZINC001138494018 990965041 /nfs/dbraw/zinc/96/50/41/990965041.db2.gz GUBZWLYSOFWQRN-NSHDSACASA-N 1 2 249.383 2.550 20 30 BFEDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C#N)C2)s1 ZINC001138494018 990965049 /nfs/dbraw/zinc/96/50/49/990965049.db2.gz GUBZWLYSOFWQRN-NSHDSACASA-N 1 2 249.383 2.550 20 30 BFEDLO CC(C)=CCC[C@@H](C)[NH+]1CC(C)(C#N)C1 ZINC001258085057 990986576 /nfs/dbraw/zinc/98/65/76/990986576.db2.gz FDGDCLRTWVWPHN-GFCCVEGCSA-N 1 2 206.333 2.967 20 30 BFEDLO Cc1n[nH]c(C)c1C[N@H+](CCC#N)C1CCCC1 ZINC001139099148 991139050 /nfs/dbraw/zinc/13/90/50/991139050.db2.gz NMLNZMDZNHEGCY-UHFFFAOYSA-N 1 2 246.358 2.685 20 30 BFEDLO Cc1n[nH]c(C)c1C[N@@H+](CCC#N)C1CCCC1 ZINC001139099148 991139055 /nfs/dbraw/zinc/13/90/55/991139055.db2.gz NMLNZMDZNHEGCY-UHFFFAOYSA-N 1 2 246.358 2.685 20 30 BFEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139525961 991261606 /nfs/dbraw/zinc/26/16/06/991261606.db2.gz QALCYYNRQOEOCX-SKDRFNHKSA-N 1 2 236.265 2.630 20 30 BFEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139525961 991261613 /nfs/dbraw/zinc/26/16/13/991261613.db2.gz QALCYYNRQOEOCX-SKDRFNHKSA-N 1 2 236.265 2.630 20 30 BFEDLO C=CC[N@@H+](C)Cc1cccc(Cl)c1C#N ZINC001139691680 991321391 /nfs/dbraw/zinc/32/13/91/991321391.db2.gz FCKZPRVGXMGZEH-UHFFFAOYSA-N 1 2 220.703 2.829 20 30 BFEDLO C=CC[N@H+](C)Cc1cccc(Cl)c1C#N ZINC001139691680 991321401 /nfs/dbraw/zinc/32/14/01/991321401.db2.gz FCKZPRVGXMGZEH-UHFFFAOYSA-N 1 2 220.703 2.829 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccccc1C(F)F ZINC001139796698 991371216 /nfs/dbraw/zinc/37/12/16/991371216.db2.gz VMNSVOVWPURKKZ-UHFFFAOYSA-N 1 2 224.254 2.970 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccccc1C(F)F ZINC001139796698 991371223 /nfs/dbraw/zinc/37/12/23/991371223.db2.gz VMNSVOVWPURKKZ-UHFFFAOYSA-N 1 2 224.254 2.970 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(C)cc1O ZINC001140201002 991561281 /nfs/dbraw/zinc/56/12/81/991561281.db2.gz CJGWHDATBMDLDZ-CYBMUJFWSA-N 1 2 244.338 2.745 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)c(C)cc1O ZINC001140201002 991561290 /nfs/dbraw/zinc/56/12/90/991561290.db2.gz CJGWHDATBMDLDZ-CYBMUJFWSA-N 1 2 244.338 2.745 20 30 BFEDLO CCC[C@H](Cc1ccccc1)[NH+]1CC(C#N)C1 ZINC001258657897 991592828 /nfs/dbraw/zinc/59/28/28/991592828.db2.gz VXTNFMZZPFXDJB-OAHLLOKOSA-N 1 2 228.339 2.853 20 30 BFEDLO Cc1ccc(Cl)nc1C[NH+]1CCC(C#N)CC1 ZINC001140441605 991638228 /nfs/dbraw/zinc/63/82/28/991638228.db2.gz MMFHPUBEFKTTJN-UHFFFAOYSA-N 1 2 249.745 2.779 20 30 BFEDLO C=CCO[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001320157681 992118147 /nfs/dbraw/zinc/11/81/47/992118147.db2.gz XMIAPWIVRUXJFZ-ABRRARGCSA-N 1 2 236.142 2.582 20 30 BFEDLO C=CCO[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001320157681 992118155 /nfs/dbraw/zinc/11/81/55/992118155.db2.gz XMIAPWIVRUXJFZ-ABRRARGCSA-N 1 2 236.142 2.582 20 30 BFEDLO C=CCO[C@@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001320157683 992119124 /nfs/dbraw/zinc/11/91/24/992119124.db2.gz XMIAPWIVRUXJFZ-OLKPEBQYSA-N 1 2 236.142 2.582 20 30 BFEDLO C=CCO[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001320157683 992119137 /nfs/dbraw/zinc/11/91/37/992119137.db2.gz XMIAPWIVRUXJFZ-OLKPEBQYSA-N 1 2 236.142 2.582 20 30 BFEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000393792061 994007733 /nfs/dbraw/zinc/00/77/33/994007733.db2.gz JXYWOWITXDQXEP-RKDXNWHRSA-N 1 2 220.238 2.563 20 30 BFEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000393792061 994007740 /nfs/dbraw/zinc/00/77/40/994007740.db2.gz JXYWOWITXDQXEP-RKDXNWHRSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000064931771 136210663 /nfs/dbraw/zinc/21/06/63/136210663.db2.gz PFQIIUWAOCUXIV-VIFPVBQESA-N 1 2 224.254 2.699 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000064931771 136210664 /nfs/dbraw/zinc/21/06/64/136210664.db2.gz PFQIIUWAOCUXIV-VIFPVBQESA-N 1 2 224.254 2.699 20 30 BFEDLO C#CC[N@@H+](Cc1ncc(C(C)(C)C)o1)C1CC1 ZINC000274170849 398150064 /nfs/dbraw/zinc/15/00/64/398150064.db2.gz NPSJLERBKAFIAE-UHFFFAOYSA-N 1 2 232.327 2.570 20 30 BFEDLO C#CC[N@H+](Cc1ncc(C(C)(C)C)o1)C1CC1 ZINC000274170849 398150067 /nfs/dbraw/zinc/15/00/67/398150067.db2.gz NPSJLERBKAFIAE-UHFFFAOYSA-N 1 2 232.327 2.570 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000602437203 349524170 /nfs/dbraw/zinc/52/41/70/349524170.db2.gz FJEFEWZPXJXEPC-UHFFFAOYSA-N 1 2 239.269 2.755 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000602437203 349524173 /nfs/dbraw/zinc/52/41/73/349524173.db2.gz FJEFEWZPXJXEPC-UHFFFAOYSA-N 1 2 239.269 2.755 20 30 BFEDLO N#CCC[N@H+](CCC[C@H]1CCO1)Cc1ccco1 ZINC000602431356 349535803 /nfs/dbraw/zinc/53/58/03/349535803.db2.gz BKYJRVOXHWMBPU-ZDUSSCGKSA-N 1 2 248.326 2.564 20 30 BFEDLO N#CCC[N@@H+](CCC[C@H]1CCO1)Cc1ccco1 ZINC000602431356 349535805 /nfs/dbraw/zinc/53/58/05/349535805.db2.gz BKYJRVOXHWMBPU-ZDUSSCGKSA-N 1 2 248.326 2.564 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)CCc1cccc(F)c1F ZINC000343529576 136231110 /nfs/dbraw/zinc/23/11/10/136231110.db2.gz AEZMYPWWABLQGM-SNVBAGLBSA-N 1 2 238.281 2.599 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)CCc1cccc(F)c1F ZINC000343529576 136231111 /nfs/dbraw/zinc/23/11/11/136231111.db2.gz AEZMYPWWABLQGM-SNVBAGLBSA-N 1 2 238.281 2.599 20 30 BFEDLO CC[C@H](C)[C@H](C[N@H+](CC#N)C1CCCC1)OC ZINC000602477762 349564455 /nfs/dbraw/zinc/56/44/55/349564455.db2.gz LVPLYMQMKYXQJO-JSGCOSHPSA-N 1 2 238.375 2.816 20 30 BFEDLO CC[C@H](C)[C@H](C[N@@H+](CC#N)C1CCCC1)OC ZINC000602477762 349564457 /nfs/dbraw/zinc/56/44/57/349564457.db2.gz LVPLYMQMKYXQJO-JSGCOSHPSA-N 1 2 238.375 2.816 20 30 BFEDLO Cc1ccc(NC[C@@H](C)CCC#N)c[nH+]1 ZINC000602578056 349606840 /nfs/dbraw/zinc/60/68/40/349606840.db2.gz VBKYRDRSBBSCLI-JTQLQIEISA-N 1 2 203.289 2.742 20 30 BFEDLO N#CCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000600156171 342692866 /nfs/dbraw/zinc/69/28/66/342692866.db2.gz ODBJULVIHCGIRP-UHFFFAOYSA-N 1 2 234.246 2.770 20 30 BFEDLO N#CC1(C[NH2+]Cc2cnc(C3CC3)o2)CCCC1 ZINC000600174981 342695917 /nfs/dbraw/zinc/69/59/17/342695917.db2.gz XGHGHJSIXMYGBJ-UHFFFAOYSA-N 1 2 245.326 2.726 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1ccccc1F ZINC000042375310 342773570 /nfs/dbraw/zinc/77/35/70/342773570.db2.gz AAEFWSMEHOMWSO-ZJUUUORDSA-N 1 2 206.264 2.778 20 30 BFEDLO CC[N@@H+](Cc1ccc2c(n1)CCC2)C[C@H](C)C#N ZINC000583980020 342814843 /nfs/dbraw/zinc/81/48/43/342814843.db2.gz XNUDDCUSVCIASM-GFCCVEGCSA-N 1 2 243.354 2.552 20 30 BFEDLO CC[N@H+](Cc1ccc2c(n1)CCC2)C[C@H](C)C#N ZINC000583980020 342814844 /nfs/dbraw/zinc/81/48/44/342814844.db2.gz XNUDDCUSVCIASM-GFCCVEGCSA-N 1 2 243.354 2.552 20 30 BFEDLO Cc1c[nH+]cc(NC[C@H](C)CCC#N)c1 ZINC000602575814 349624807 /nfs/dbraw/zinc/62/48/07/349624807.db2.gz XOMCGOCVAMDMEG-SNVBAGLBSA-N 1 2 203.289 2.742 20 30 BFEDLO COc1cccc(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000602672997 349666525 /nfs/dbraw/zinc/66/65/25/349666525.db2.gz AKFYFKUAPBYHNJ-UHFFFAOYSA-N 1 2 246.354 2.985 20 30 BFEDLO COc1cccc(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000602672997 349666527 /nfs/dbraw/zinc/66/65/27/349666527.db2.gz AKFYFKUAPBYHNJ-UHFFFAOYSA-N 1 2 246.354 2.985 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156918198 398339727 /nfs/dbraw/zinc/33/97/27/398339727.db2.gz YCFFWFZHUXRTBU-GFCCVEGCSA-N 1 2 246.741 2.925 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156918198 398339728 /nfs/dbraw/zinc/33/97/28/398339728.db2.gz YCFFWFZHUXRTBU-GFCCVEGCSA-N 1 2 246.741 2.925 20 30 BFEDLO C[C@H](CCC#N)C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000602663196 349683230 /nfs/dbraw/zinc/68/32/30/349683230.db2.gz KJROXBRPZWZMED-SCZZXKLOSA-N 1 2 234.265 2.857 20 30 BFEDLO CSCCC[N@H+](CCC#N)Cc1ccco1 ZINC000176290301 346907843 /nfs/dbraw/zinc/90/78/43/346907843.db2.gz AXXCMEBJWJPHFB-UHFFFAOYSA-N 1 2 238.356 2.748 20 30 BFEDLO CSCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000176290301 346907845 /nfs/dbraw/zinc/90/78/45/346907845.db2.gz AXXCMEBJWJPHFB-UHFFFAOYSA-N 1 2 238.356 2.748 20 30 BFEDLO CCc1cc[nH+]cc1NC[C@H](C)CCC#N ZINC000602714285 349705431 /nfs/dbraw/zinc/70/54/31/349705431.db2.gz YMGZPOYWGWTMIH-LLVKDONJSA-N 1 2 217.316 2.996 20 30 BFEDLO CC[N@H+](CCC#N)Cc1c(C)cc(C)nc1C ZINC000602775851 349728198 /nfs/dbraw/zinc/72/81/98/349728198.db2.gz CHUWQVHEBLKXMH-UHFFFAOYSA-N 1 2 231.343 2.742 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1c(C)cc(C)nc1C ZINC000602775851 349728201 /nfs/dbraw/zinc/72/82/01/349728201.db2.gz CHUWQVHEBLKXMH-UHFFFAOYSA-N 1 2 231.343 2.742 20 30 BFEDLO COc1ccc(Cl)cc1C[NH2+][C@@H](C)CC#N ZINC000309906477 343091212 /nfs/dbraw/zinc/09/12/12/343091212.db2.gz KKQXGGMCVZINJZ-VIFPVBQESA-N 1 2 238.718 2.740 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)CCc1c(F)cccc1F ZINC000402807591 343116974 /nfs/dbraw/zinc/11/69/74/343116974.db2.gz JIUDKOUNYMKXPN-JTQLQIEISA-N 1 2 238.281 2.741 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)CCc1c(F)cccc1F ZINC000402807591 343116978 /nfs/dbraw/zinc/11/69/78/343116978.db2.gz JIUDKOUNYMKXPN-JTQLQIEISA-N 1 2 238.281 2.741 20 30 BFEDLO C[C@@H](CC#N)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000602865859 349798010 /nfs/dbraw/zinc/79/80/10/349798010.db2.gz ZUVMBRGLNZWJGF-NSHDSACASA-N 1 2 232.714 2.583 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000602871245 349802819 /nfs/dbraw/zinc/80/28/19/349802819.db2.gz PBNSSGLKLRCEGP-SECBINFHSA-N 1 2 233.702 2.603 20 30 BFEDLO CC[N@@H+](CC#N)CCCCc1ccccc1 ZINC000228444193 136278664 /nfs/dbraw/zinc/27/86/64/136278664.db2.gz ZYDNZXCINPXDRJ-UHFFFAOYSA-N 1 2 216.328 2.855 20 30 BFEDLO CC[N@H+](CC#N)CCCCc1ccccc1 ZINC000228444193 136278665 /nfs/dbraw/zinc/27/86/65/136278665.db2.gz ZYDNZXCINPXDRJ-UHFFFAOYSA-N 1 2 216.328 2.855 20 30 BFEDLO Cc1ccc(F)c(C[NH2+][C@H](C)CC#N)c1 ZINC000134970578 343325356 /nfs/dbraw/zinc/32/53/56/343325356.db2.gz HRSRWJJTFYEVJW-SNVBAGLBSA-N 1 2 206.264 2.526 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(C#N)cc1C ZINC000165423429 343311562 /nfs/dbraw/zinc/31/15/62/343311562.db2.gz VRZLXNBAUPGTFE-UHFFFAOYSA-N 1 2 227.311 2.602 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(C#N)cc1C ZINC000165423429 343311565 /nfs/dbraw/zinc/31/15/65/343311565.db2.gz VRZLXNBAUPGTFE-UHFFFAOYSA-N 1 2 227.311 2.602 20 30 BFEDLO COc1cccc(C[NH2+][C@@H](C)CC#N)c1Cl ZINC000602872020 349804112 /nfs/dbraw/zinc/80/41/12/349804112.db2.gz ZVZYLTWBPPSBTL-VIFPVBQESA-N 1 2 238.718 2.740 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1nccs1 ZINC000070634420 343336969 /nfs/dbraw/zinc/33/69/69/343336969.db2.gz MTQMOUSTULESSO-SSDOTTSWSA-N 1 2 202.710 2.546 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1csc(C2CC2)n1 ZINC000134975932 343342955 /nfs/dbraw/zinc/34/29/55/343342955.db2.gz MRBBPKMTEPFWPT-UHFFFAOYSA-N 1 2 235.356 2.660 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000351063215 136367257 /nfs/dbraw/zinc/36/72/57/136367257.db2.gz LDPAYLAFCDIEBK-UHFFFAOYSA-N 1 2 222.332 2.980 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000351063215 136367258 /nfs/dbraw/zinc/36/72/58/136367258.db2.gz LDPAYLAFCDIEBK-UHFFFAOYSA-N 1 2 222.332 2.980 20 30 BFEDLO Cc1ccnc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000616773368 343563945 /nfs/dbraw/zinc/56/39/45/343563945.db2.gz JBTJCMRRHAKKFC-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccnc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000616773368 343563946 /nfs/dbraw/zinc/56/39/46/343563946.db2.gz JBTJCMRRHAKKFC-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO COCC[N@H+](CCC#N)Cc1cc(C)cc(C)c1 ZINC000071230938 343636748 /nfs/dbraw/zinc/63/67/48/343636748.db2.gz OEFZDTFYHZARAA-UHFFFAOYSA-N 1 2 246.354 2.666 20 30 BFEDLO COCC[N@@H+](CCC#N)Cc1cc(C)cc(C)c1 ZINC000071230938 343636750 /nfs/dbraw/zinc/63/67/50/343636750.db2.gz OEFZDTFYHZARAA-UHFFFAOYSA-N 1 2 246.354 2.666 20 30 BFEDLO CCc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000602982008 349832632 /nfs/dbraw/zinc/83/26/32/349832632.db2.gz MIGLOTAXJURKTO-UKRRQHHQSA-N 1 2 243.354 2.768 20 30 BFEDLO CCc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000602982008 349832634 /nfs/dbraw/zinc/83/26/34/349832634.db2.gz MIGLOTAXJURKTO-UKRRQHHQSA-N 1 2 243.354 2.768 20 30 BFEDLO COc1ccccc1C[C@H]([NH2+][C@@H](C)C#N)C(C)C ZINC000178397815 346954284 /nfs/dbraw/zinc/95/42/84/346954284.db2.gz HNHHNOZKXFPQBV-JSGCOSHPSA-N 1 2 246.354 2.764 20 30 BFEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCC[C@@H]1C#N ZINC000602974515 349839068 /nfs/dbraw/zinc/83/90/68/349839068.db2.gz PHSDWFAAHHKTRD-HIFRSBDPSA-N 1 2 239.322 2.682 20 30 BFEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCC[C@@H]1C#N ZINC000602974515 349839071 /nfs/dbraw/zinc/83/90/71/349839071.db2.gz PHSDWFAAHHKTRD-HIFRSBDPSA-N 1 2 239.322 2.682 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)nc1 ZINC000602980485 349844765 /nfs/dbraw/zinc/84/47/65/349844765.db2.gz QRETYQBRGINWJW-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)nc1 ZINC000602980485 349844770 /nfs/dbraw/zinc/84/47/70/349844770.db2.gz QRETYQBRGINWJW-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccncc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980428 349845114 /nfs/dbraw/zinc/84/51/14/349845114.db2.gz QACHVDNMHXTZMI-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccncc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980428 349845116 /nfs/dbraw/zinc/84/51/16/349845116.db2.gz QACHVDNMHXTZMI-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000602980488 349846126 /nfs/dbraw/zinc/84/61/26/349846126.db2.gz QRETYQBRGINWJW-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000602980488 349846129 /nfs/dbraw/zinc/84/61/29/349846129.db2.gz QRETYQBRGINWJW-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO CC1(C)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000334599722 343895281 /nfs/dbraw/zinc/89/52/81/343895281.db2.gz SEAIMIXWGPBKSJ-UHFFFAOYSA-N 1 2 235.356 2.637 20 30 BFEDLO CC1(C)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000334599722 343895282 /nfs/dbraw/zinc/89/52/82/343895282.db2.gz SEAIMIXWGPBKSJ-UHFFFAOYSA-N 1 2 235.356 2.637 20 30 BFEDLO C=C[C@@H]([NH2+]CC(CC)(CC)CC)C(=O)OC ZINC000393750128 343923546 /nfs/dbraw/zinc/92/35/46/343923546.db2.gz BQAIIDCEVKJRCT-LLVKDONJSA-N 1 2 227.348 2.520 20 30 BFEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135185793 343964479 /nfs/dbraw/zinc/96/44/79/343964479.db2.gz WPSXXCVWYYVEMW-QMMMGPOBSA-N 1 2 245.282 2.607 20 30 BFEDLO C=CC[NH+](CC=C)Cc1csc([N+](=O)[O-])c1 ZINC000056493630 344236495 /nfs/dbraw/zinc/23/64/95/344236495.db2.gz NFSJJLLPQPACSO-UHFFFAOYSA-N 1 2 238.312 2.830 20 30 BFEDLO C[N@H+](Cc1[nH]nc2ccccc21)CC(C)(C)C#N ZINC000590373229 347043641 /nfs/dbraw/zinc/04/36/41/347043641.db2.gz CWEOSKGFCRTMIZ-UHFFFAOYSA-N 1 2 242.326 2.544 20 30 BFEDLO C[N@@H+](Cc1[nH]nc2ccccc21)CC(C)(C)C#N ZINC000590373229 347043643 /nfs/dbraw/zinc/04/36/43/347043643.db2.gz CWEOSKGFCRTMIZ-UHFFFAOYSA-N 1 2 242.326 2.544 20 30 BFEDLO Cc1ncc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)s1 ZINC000400097424 344302933 /nfs/dbraw/zinc/30/29/33/344302933.db2.gz XFPRENHKZBSGSO-ZYHUDNBSSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1ncc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)s1 ZINC000400097424 344302935 /nfs/dbraw/zinc/30/29/35/344302935.db2.gz XFPRENHKZBSGSO-ZYHUDNBSSA-N 1 2 235.356 2.576 20 30 BFEDLO N#CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000109797493 344534648 /nfs/dbraw/zinc/53/46/48/344534648.db2.gz HAZHNYBKIUNMEE-UHFFFAOYSA-N 1 2 230.311 2.660 20 30 BFEDLO N#CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000109797493 344534650 /nfs/dbraw/zinc/53/46/50/344534650.db2.gz HAZHNYBKIUNMEE-UHFFFAOYSA-N 1 2 230.311 2.660 20 30 BFEDLO CC[C@@H](Cc1ccccc1)[N@H+](CC)CC#N ZINC000120498779 344891871 /nfs/dbraw/zinc/89/18/71/344891871.db2.gz WNALLVBCDMXKKX-AWEZNQCLSA-N 1 2 216.328 2.853 20 30 BFEDLO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC#N ZINC000120498779 344891875 /nfs/dbraw/zinc/89/18/75/344891875.db2.gz WNALLVBCDMXKKX-AWEZNQCLSA-N 1 2 216.328 2.853 20 30 BFEDLO CC[C@H](C)C[N@H+](CCC#N)Cc1ccccn1 ZINC000122251606 344952442 /nfs/dbraw/zinc/95/24/42/344952442.db2.gz TUPTVNWONUUFOO-ZDUSSCGKSA-N 1 2 231.343 2.843 20 30 BFEDLO CC[C@H](C)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000122251606 344952445 /nfs/dbraw/zinc/95/24/45/344952445.db2.gz TUPTVNWONUUFOO-ZDUSSCGKSA-N 1 2 231.343 2.843 20 30 BFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](F)C2)c(F)c1 ZINC000583446292 344989586 /nfs/dbraw/zinc/98/95/86/344989586.db2.gz XILGDIBSYDOCEA-GFCCVEGCSA-N 1 2 236.265 2.631 20 30 BFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(F)c1 ZINC000583446292 344989590 /nfs/dbraw/zinc/98/95/90/344989590.db2.gz XILGDIBSYDOCEA-GFCCVEGCSA-N 1 2 236.265 2.631 20 30 BFEDLO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000132274452 345324527 /nfs/dbraw/zinc/32/45/27/345324527.db2.gz IHWFUZCLNIVXFY-ZDUSSCGKSA-N 1 2 244.338 2.985 20 30 BFEDLO C=CCOc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000132274452 345324530 /nfs/dbraw/zinc/32/45/30/345324530.db2.gz IHWFUZCLNIVXFY-ZDUSSCGKSA-N 1 2 244.338 2.985 20 30 BFEDLO CN(C)c1ccc(-c2cccc(C#N)c2)c[nH+]1 ZINC000139922653 345274092 /nfs/dbraw/zinc/27/40/92/345274092.db2.gz CDVKHUMWDJXCNG-UHFFFAOYSA-N 1 2 223.279 2.686 20 30 BFEDLO CC(C)(C#N)c1ccccc1Cn1cc[nH+]c1 ZINC000135110935 345432515 /nfs/dbraw/zinc/43/25/15/345432515.db2.gz NBGGKEPLFTVUDS-UHFFFAOYSA-N 1 2 225.295 2.733 20 30 BFEDLO CC[N@H+](CCC#N)[C@H](C)c1cccc(O)c1 ZINC000080933146 345451110 /nfs/dbraw/zinc/45/11/10/345451110.db2.gz OQXGYCLAINRPEH-LLVKDONJSA-N 1 2 218.300 2.689 20 30 BFEDLO CC[N@@H+](CCC#N)[C@H](C)c1cccc(O)c1 ZINC000080933146 345451115 /nfs/dbraw/zinc/45/11/15/345451115.db2.gz OQXGYCLAINRPEH-LLVKDONJSA-N 1 2 218.300 2.689 20 30 BFEDLO CC[N@H+](CCC#N)[C@@H](C)c1cccc(O)c1 ZINC000080933143 345451290 /nfs/dbraw/zinc/45/12/90/345451290.db2.gz OQXGYCLAINRPEH-NSHDSACASA-N 1 2 218.300 2.689 20 30 BFEDLO CC[N@@H+](CCC#N)[C@@H](C)c1cccc(O)c1 ZINC000080933143 345451291 /nfs/dbraw/zinc/45/12/91/345451291.db2.gz OQXGYCLAINRPEH-NSHDSACASA-N 1 2 218.300 2.689 20 30 BFEDLO CC[N@H+](CCC#N)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081070296 345464358 /nfs/dbraw/zinc/46/43/58/345464358.db2.gz AEPWLTIBCBVGFY-LLVKDONJSA-N 1 2 247.298 2.891 20 30 BFEDLO CC[N@@H+](CCC#N)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000081070296 345464360 /nfs/dbraw/zinc/46/43/60/345464360.db2.gz AEPWLTIBCBVGFY-LLVKDONJSA-N 1 2 247.298 2.891 20 30 BFEDLO CC[N@H+](CC#N)C[C@H]1C[C@@H]1c1ccccc1 ZINC000092398918 345618395 /nfs/dbraw/zinc/61/83/95/345618395.db2.gz ZASKYTNRGFFHAX-ZIAGYGMSSA-N 1 2 214.312 2.636 20 30 BFEDLO CC[N@@H+](CC#N)C[C@H]1C[C@@H]1c1ccccc1 ZINC000092398918 345618396 /nfs/dbraw/zinc/61/83/96/345618396.db2.gz ZASKYTNRGFFHAX-ZIAGYGMSSA-N 1 2 214.312 2.636 20 30 BFEDLO C=CCCC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641683244 362602398 /nfs/dbraw/zinc/60/23/98/362602398.db2.gz WYWWLNHUIWISCO-UHFFFAOYSA-N 1 2 234.343 2.978 20 30 BFEDLO C#C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000166437815 166217290 /nfs/dbraw/zinc/21/72/90/166217290.db2.gz KEEUIPGNERBZLL-ZETCQYMHSA-N 1 2 244.121 2.810 20 30 BFEDLO Cc1nc(N[C@@H](C)c2ccc(C#N)cc2)cc[nH+]1 ZINC000054935933 345772018 /nfs/dbraw/zinc/77/20/18/345772018.db2.gz XQOXNLWNLBHLKG-JTQLQIEISA-N 1 2 238.294 2.830 20 30 BFEDLO C=CCCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635839632 346082996 /nfs/dbraw/zinc/08/29/96/346082996.db2.gz GDDBVNFLEKYJFV-CYBMUJFWSA-N 1 2 249.358 2.505 20 30 BFEDLO Cc1cccc(C[N@H+](C)CCC#N)c1C ZINC000157784980 179064779 /nfs/dbraw/zinc/06/47/79/179064779.db2.gz JNIHXPWLHYAOSH-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO Cc1cccc(C[N@@H+](C)CCC#N)c1C ZINC000157784980 179064781 /nfs/dbraw/zinc/06/47/81/179064781.db2.gz JNIHXPWLHYAOSH-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO CC(C)(C#N)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000161232205 346480825 /nfs/dbraw/zinc/48/08/25/346480825.db2.gz UEULQUVCJDAPFX-CQSZACIVSA-N 1 2 228.339 2.853 20 30 BFEDLO CC(C)(C#N)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000161232205 346480829 /nfs/dbraw/zinc/48/08/29/346480829.db2.gz UEULQUVCJDAPFX-CQSZACIVSA-N 1 2 228.339 2.853 20 30 BFEDLO CC(C)(C#N)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000161232340 346480865 /nfs/dbraw/zinc/48/08/65/346480865.db2.gz UEULQUVCJDAPFX-AWEZNQCLSA-N 1 2 228.339 2.853 20 30 BFEDLO CC(C)(C#N)[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000161232340 346480867 /nfs/dbraw/zinc/48/08/67/346480867.db2.gz UEULQUVCJDAPFX-AWEZNQCLSA-N 1 2 228.339 2.853 20 30 BFEDLO C[C@H](CCC#N)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000589822187 346739577 /nfs/dbraw/zinc/73/95/77/346739577.db2.gz KPXXTNULKWIAIC-CHWSQXEVSA-N 1 2 233.359 2.940 20 30 BFEDLO C[C@H](CCC#N)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000589822187 346739579 /nfs/dbraw/zinc/73/95/79/346739579.db2.gz KPXXTNULKWIAIC-CHWSQXEVSA-N 1 2 233.359 2.940 20 30 BFEDLO CC#CCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000185014094 347188516 /nfs/dbraw/zinc/18/85/16/347188516.db2.gz WIOYOUQAXGEODK-OAHLLOKOSA-N 1 2 247.313 2.612 20 30 BFEDLO CC#CCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000185014094 347188519 /nfs/dbraw/zinc/18/85/19/347188519.db2.gz WIOYOUQAXGEODK-OAHLLOKOSA-N 1 2 247.313 2.612 20 30 BFEDLO Cc1cc[nH+]c(C)c1NC(=O)CC(C)(C)C#N ZINC000335529670 347239530 /nfs/dbraw/zinc/23/95/30/347239530.db2.gz RPORUZUBPLLPPF-UHFFFAOYSA-N 1 2 231.299 2.577 20 30 BFEDLO CO[C@@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000188127898 347273528 /nfs/dbraw/zinc/27/35/28/347273528.db2.gz HKWCNXXJCACVSC-YAFRSCOQSA-N 1 2 243.306 2.999 20 30 BFEDLO N#C[C@@]1(F)CC[N@H+](CCC2=CCCCC2)C1 ZINC000590723968 347493958 /nfs/dbraw/zinc/49/39/58/347493958.db2.gz OQLZKWBTNJLKTB-ZDUSSCGKSA-N 1 2 222.307 2.814 20 30 BFEDLO N#C[C@@]1(F)CC[N@@H+](CCC2=CCCCC2)C1 ZINC000590723968 347493960 /nfs/dbraw/zinc/49/39/60/347493960.db2.gz OQLZKWBTNJLKTB-ZDUSSCGKSA-N 1 2 222.307 2.814 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](CCC)C(C)(C)C)C(=O)OC ZINC000591242776 347632931 /nfs/dbraw/zinc/63/29/31/347632931.db2.gz FOYPAXPRTKCWHU-QWRGUYRKSA-N 1 2 227.348 2.518 20 30 BFEDLO COc1cccc(C[NH2+]CC2(C#N)CCC2)c1F ZINC000591357684 347644801 /nfs/dbraw/zinc/64/48/01/347644801.db2.gz LTMWTRBJXZULTP-UHFFFAOYSA-N 1 2 248.301 2.618 20 30 BFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](F)C2)s1 ZINC000593697166 347929667 /nfs/dbraw/zinc/92/96/67/347929667.db2.gz PCJNYQCTQTVVGI-VIFPVBQESA-N 1 2 224.304 2.554 20 30 BFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](F)C2)s1 ZINC000593697166 347929670 /nfs/dbraw/zinc/92/96/70/347929670.db2.gz PCJNYQCTQTVVGI-VIFPVBQESA-N 1 2 224.304 2.554 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc2cnccc2o1 ZINC000593571259 347912595 /nfs/dbraw/zinc/91/25/95/347912595.db2.gz FBTLXUZCMHZDHH-JTQLQIEISA-N 1 2 229.283 2.562 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc2cnccc2o1 ZINC000593571259 347912596 /nfs/dbraw/zinc/91/25/96/347912596.db2.gz FBTLXUZCMHZDHH-JTQLQIEISA-N 1 2 229.283 2.562 20 30 BFEDLO Cc1ccc(NC(=O)[C@H]2C[C@@]23CCOC3)c(C)[nH+]1 ZINC000329600575 347956779 /nfs/dbraw/zinc/95/67/79/347956779.db2.gz KESVQAXPHRPCKB-BXUZGUMPSA-N 1 2 246.310 2.713 20 30 BFEDLO CC(C)(CC[N@@H+]1CC[C@@](F)(C#N)C1)C1CC1 ZINC000593973177 347985471 /nfs/dbraw/zinc/98/54/71/347985471.db2.gz MRUVZQWXCNQGBU-CYBMUJFWSA-N 1 2 224.323 2.750 20 30 BFEDLO CC(C)(CC[N@H+]1CC[C@@](F)(C#N)C1)C1CC1 ZINC000593973177 347985474 /nfs/dbraw/zinc/98/54/74/347985474.db2.gz MRUVZQWXCNQGBU-CYBMUJFWSA-N 1 2 224.323 2.750 20 30 BFEDLO CC(C)(CC[N@@H+]1CC[C@](F)(C#N)C1)C1CC1 ZINC000593973179 347985873 /nfs/dbraw/zinc/98/58/73/347985873.db2.gz MRUVZQWXCNQGBU-ZDUSSCGKSA-N 1 2 224.323 2.750 20 30 BFEDLO CC(C)(CC[N@H+]1CC[C@](F)(C#N)C1)C1CC1 ZINC000593973179 347985876 /nfs/dbraw/zinc/98/58/76/347985876.db2.gz MRUVZQWXCNQGBU-ZDUSSCGKSA-N 1 2 224.323 2.750 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cnccn1 ZINC000594717241 348106243 /nfs/dbraw/zinc/10/62/43/348106243.db2.gz KAHLEQFABSBKQW-GFCCVEGCSA-N 1 2 244.342 2.601 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccco2)CCCCC1 ZINC000594995429 348167728 /nfs/dbraw/zinc/16/77/28/348167728.db2.gz PZBIUICWUIPFMM-UHFFFAOYSA-N 1 2 218.300 2.843 20 30 BFEDLO Cc1cccnc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000357388685 179374077 /nfs/dbraw/zinc/37/40/77/179374077.db2.gz KKDGILFEHLTASF-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccnc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000357388685 179374079 /nfs/dbraw/zinc/37/40/79/179374079.db2.gz KKDGILFEHLTASF-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)[C@H]1C ZINC000595349176 348236790 /nfs/dbraw/zinc/23/67/90/348236790.db2.gz ZUAQQMABURPXOZ-DYEKYZERSA-N 1 2 214.312 2.982 20 30 BFEDLO C[C@@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)[C@H]1C ZINC000595349176 348236791 /nfs/dbraw/zinc/23/67/91/348236791.db2.gz ZUAQQMABURPXOZ-DYEKYZERSA-N 1 2 214.312 2.982 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCOCc1ccccc1 ZINC000595502939 348263916 /nfs/dbraw/zinc/26/39/16/348263916.db2.gz XOPASBIRDUUYHN-UHFFFAOYSA-N 1 2 244.338 2.605 20 30 BFEDLO C=CC[N@H+](CCC#N)CCOCc1ccccc1 ZINC000595502939 348263918 /nfs/dbraw/zinc/26/39/18/348263918.db2.gz XOPASBIRDUUYHN-UHFFFAOYSA-N 1 2 244.338 2.605 20 30 BFEDLO C=C(CC)C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000419264183 192116337 /nfs/dbraw/zinc/11/63/37/192116337.db2.gz ASAAIMJAXLTCJY-GFCCVEGCSA-N 1 2 227.348 2.520 20 30 BFEDLO C[C@H](C#N)[N@H+](CCCCOC(C)(C)C)C1CC1 ZINC000595709970 348321327 /nfs/dbraw/zinc/32/13/27/348321327.db2.gz LDCLVWRDMMDJFD-GFCCVEGCSA-N 1 2 238.375 2.958 20 30 BFEDLO C[C@H](C#N)[N@@H+](CCCCOC(C)(C)C)C1CC1 ZINC000595709970 348321330 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/nfs/dbraw/zinc/34/35/75/348343575.db2.gz BTPHNGXCDZFNRV-UWVGGRQHSA-N 1 2 218.291 2.902 20 30 BFEDLO CC[N@H+](CCCOc1ccccc1C)[C@H](C)C#N ZINC000595813860 348353535 /nfs/dbraw/zinc/35/35/35/348353535.db2.gz PITUTRSMSHNKFA-CQSZACIVSA-N 1 2 246.354 2.998 20 30 BFEDLO CC[N@@H+](CCCOc1ccccc1C)[C@H](C)C#N ZINC000595813860 348353537 /nfs/dbraw/zinc/35/35/37/348353537.db2.gz PITUTRSMSHNKFA-CQSZACIVSA-N 1 2 246.354 2.998 20 30 BFEDLO CC[N@H+](CCc1ccc(C)cc1)[C@H](C)C#N ZINC000595818279 348358592 /nfs/dbraw/zinc/35/85/92/348358592.db2.gz UHKKRNBJQGISDI-CYBMUJFWSA-N 1 2 216.328 2.772 20 30 BFEDLO CC[N@@H+](CCc1ccc(C)cc1)[C@H](C)C#N ZINC000595818279 348358593 /nfs/dbraw/zinc/35/85/93/348358593.db2.gz UHKKRNBJQGISDI-CYBMUJFWSA-N 1 2 216.328 2.772 20 30 BFEDLO CC[N@H+](CCCN(C)c1ccccc1)[C@@H](C)C#N ZINC000595818975 348359531 /nfs/dbraw/zinc/35/95/31/348359531.db2.gz QXPLCRMYTYKJBH-AWEZNQCLSA-N 1 2 245.370 2.747 20 30 BFEDLO CC[N@@H+](CCCN(C)c1ccccc1)[C@@H](C)C#N ZINC000595818975 348359533 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351604847 /nfs/dbraw/zinc/60/48/47/351604847.db2.gz OANIZUBVEZZPBC-NSHDSACASA-N 1 2 220.291 2.775 20 30 BFEDLO CC[N@@H+](CC#N)C[C@H](C)c1ccc(F)cc1 ZINC000275723528 351604851 /nfs/dbraw/zinc/60/48/51/351604851.db2.gz OANIZUBVEZZPBC-NSHDSACASA-N 1 2 220.291 2.775 20 30 BFEDLO CCc1c[nH+]ccc1NC(=O)CC(C)(C)C#N ZINC000278377777 351760850 /nfs/dbraw/zinc/76/08/50/351760850.db2.gz QGDDDNFKJVQOPS-UHFFFAOYSA-N 1 2 231.299 2.522 20 30 BFEDLO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CC#N)C1 ZINC000285727326 352057353 /nfs/dbraw/zinc/05/73/53/352057353.db2.gz XIHCLVXOYLHGRM-JSGCOSHPSA-N 1 2 214.312 2.983 20 30 BFEDLO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CC#N)C1 ZINC000285727326 352057355 /nfs/dbraw/zinc/05/73/55/352057355.db2.gz XIHCLVXOYLHGRM-JSGCOSHPSA-N 1 2 214.312 2.983 20 30 BFEDLO CC(C)(C#N)CCSCCn1cc[nH+]c1 ZINC000289378171 352183115 /nfs/dbraw/zinc/18/31/15/352183115.db2.gz KFXUBWXRRDJMEN-UHFFFAOYSA-N 1 2 223.345 2.556 20 30 BFEDLO C=CC[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000289610409 352192349 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353218478 /nfs/dbraw/zinc/21/84/78/353218478.db2.gz SWIKFWSZDRIFTI-ZDUSSCGKSA-N 1 2 235.327 2.791 20 30 BFEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000126115689 353218482 /nfs/dbraw/zinc/21/84/82/353218482.db2.gz SWIKFWSZDRIFTI-ZDUSSCGKSA-N 1 2 235.327 2.791 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125967736 353219362 /nfs/dbraw/zinc/21/93/62/353219362.db2.gz LWTBQYNADUQZQN-LBPRGKRZSA-N 1 2 223.341 2.698 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125967736 353219365 /nfs/dbraw/zinc/21/93/65/353219365.db2.gz LWTBQYNADUQZQN-LBPRGKRZSA-N 1 2 223.341 2.698 20 30 BFEDLO C=CC[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126662600 353248766 /nfs/dbraw/zinc/24/87/66/353248766.db2.gz LSIKAYSPRJMINA-BXUZGUMPSA-N 1 2 235.302 2.774 20 30 BFEDLO C=CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126662600 353248770 /nfs/dbraw/zinc/24/87/70/353248770.db2.gz LSIKAYSPRJMINA-BXUZGUMPSA-N 1 2 235.302 2.774 20 30 BFEDLO C#CC[N@@H+](C)Cc1csc(CCC(C)C)n1 ZINC000276994515 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ZINC000399530319 356972743 /nfs/dbraw/zinc/97/27/43/356972743.db2.gz UQEPHWXCQJMFIS-UHFFFAOYSA-N 1 2 241.338 2.532 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)nsc1C ZINC000582495364 357325409 /nfs/dbraw/zinc/32/54/09/357325409.db2.gz GAMJIJJPSSKKFP-JTQLQIEISA-N 1 2 223.345 2.542 20 30 BFEDLO N#CCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557425 134215856 /nfs/dbraw/zinc/21/58/56/134215856.db2.gz RFIGFIQJIPLNLW-UHFFFAOYSA-N 1 2 248.301 2.583 20 30 BFEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccon1 ZINC000349243593 357941633 /nfs/dbraw/zinc/94/16/33/357941633.db2.gz PYLUKWYWODJULI-SECBINFHSA-N 1 2 245.257 2.536 20 30 BFEDLO C[C@H](c1ccccn1)[N@H+](C)CC1(C#N)CCC1 ZINC000450626176 202214720 /nfs/dbraw/zinc/21/47/20/202214720.db2.gz GBMIMBGQDDYHKL-GFCCVEGCSA-N 1 2 229.327 2.768 20 30 BFEDLO C[C@H](c1ccccn1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450626176 202214725 /nfs/dbraw/zinc/21/47/25/202214725.db2.gz GBMIMBGQDDYHKL-GFCCVEGCSA-N 1 2 229.327 2.768 20 30 BFEDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000042287637 358520955 /nfs/dbraw/zinc/52/09/55/358520955.db2.gz NITVHCVSGSYCQK-LLVKDONJSA-N 1 2 247.298 2.576 20 30 BFEDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000042287637 358520959 /nfs/dbraw/zinc/52/09/59/358520959.db2.gz NITVHCVSGSYCQK-LLVKDONJSA-N 1 2 247.298 2.576 20 30 BFEDLO CC[N@@H+](Cc1cc(C#N)ccc1F)C[C@H](C)C#N ZINC000042323756 358521489 /nfs/dbraw/zinc/52/14/89/358521489.db2.gz FMMOETDVWWOXSF-LLVKDONJSA-N 1 2 245.301 2.679 20 30 BFEDLO CC[N@H+](Cc1cc(C#N)ccc1F)C[C@H](C)C#N ZINC000042323756 358521492 /nfs/dbraw/zinc/52/14/92/358521492.db2.gz FMMOETDVWWOXSF-LLVKDONJSA-N 1 2 245.301 2.679 20 30 BFEDLO C=C(C)C[N@@H+](C)[C@H](C(=O)OC)c1ccccc1C ZINC000125578952 358541695 /nfs/dbraw/zinc/54/16/95/358541695.db2.gz USBLDWHNKLDOFN-AWEZNQCLSA-N 1 2 247.338 2.717 20 30 BFEDLO C=C(C)C[N@H+](C)[C@H](C(=O)OC)c1ccccc1C ZINC000125578952 358541698 /nfs/dbraw/zinc/54/16/98/358541698.db2.gz USBLDWHNKLDOFN-AWEZNQCLSA-N 1 2 247.338 2.717 20 30 BFEDLO CC[N@@H+](Cc1cc(C)ccc1OC)C[C@@H](C)C#N ZINC000049572984 358695081 /nfs/dbraw/zinc/69/50/81/358695081.db2.gz PZSMXRMFKCHDLL-ZDUSSCGKSA-N 1 2 246.354 2.985 20 30 BFEDLO CC[N@H+](Cc1cc(C)ccc1OC)C[C@@H](C)C#N ZINC000049572984 358695086 /nfs/dbraw/zinc/69/50/86/358695086.db2.gz PZSMXRMFKCHDLL-ZDUSSCGKSA-N 1 2 246.354 2.985 20 30 BFEDLO C[C@H]([NH2+][C@H](C#N)Cc1ccccc1)C1CCC1 ZINC000611113217 358748335 /nfs/dbraw/zinc/74/83/35/358748335.db2.gz RGRQCUZUOFXHHW-WFASDCNBSA-N 1 2 228.339 2.899 20 30 BFEDLO CC[N@@H+](Cc1ccc(F)cc1F)C[C@H](C)C#N ZINC000050884847 358738230 /nfs/dbraw/zinc/73/82/30/358738230.db2.gz QHPWODXHCXIHPK-SNVBAGLBSA-N 1 2 238.281 2.946 20 30 BFEDLO CC[N@H+](Cc1ccc(F)cc1F)C[C@H](C)C#N ZINC000050884847 358738236 /nfs/dbraw/zinc/73/82/36/358738236.db2.gz QHPWODXHCXIHPK-SNVBAGLBSA-N 1 2 238.281 2.946 20 30 BFEDLO C[C@@H]1c2ccccc2OCC[N@H+]1CC1(C#N)CC1 ZINC000611431543 359364109 /nfs/dbraw/zinc/36/41/09/359364109.db2.gz DTIAPTAPCSSKSD-GFCCVEGCSA-N 1 2 242.322 2.746 20 30 BFEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1CC1(C#N)CC1 ZINC000611431543 359364111 /nfs/dbraw/zinc/36/41/11/359364111.db2.gz DTIAPTAPCSSKSD-GFCCVEGCSA-N 1 2 242.322 2.746 20 30 BFEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C[C@H]1F ZINC000611521367 359388951 /nfs/dbraw/zinc/38/89/51/359388951.db2.gz BETBWBDBSXGMIJ-BXKDBHETSA-N 1 2 238.331 2.800 20 30 BFEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H]1F ZINC000611521367 359388956 /nfs/dbraw/zinc/38/89/56/359388956.db2.gz BETBWBDBSXGMIJ-BXKDBHETSA-N 1 2 238.331 2.800 20 30 BFEDLO C=CCC[C@@H](C)Nc1ccc(OC)c[nH+]1 ZINC000309083798 491144452 /nfs/dbraw/zinc/14/44/52/491144452.db2.gz ULLKDMANJAWPJG-SNVBAGLBSA-N 1 2 206.289 2.857 20 30 BFEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406414 359833923 /nfs/dbraw/zinc/83/39/23/359833923.db2.gz LLLZRQLEDWYKFW-OAHLLOKOSA-N 1 2 244.338 2.821 20 30 BFEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406414 359833928 /nfs/dbraw/zinc/83/39/28/359833928.db2.gz LLLZRQLEDWYKFW-OAHLLOKOSA-N 1 2 244.338 2.821 20 30 BFEDLO C=CCSCCNc1cc[nH+]c2ccncc12 ZINC000085659292 359843889 /nfs/dbraw/zinc/84/38/89/359843889.db2.gz BUKWMRBJLIBZDD-UHFFFAOYSA-N 1 2 245.351 2.961 20 30 BFEDLO CCn1nc(C)c(C[N@H+](CC)C[C@@H](C)C#N)c1C ZINC000091983030 360140761 /nfs/dbraw/zinc/14/07/61/360140761.db2.gz PPNKSYUBGORYGA-NSHDSACASA-N 1 2 248.374 2.501 20 30 BFEDLO CCn1nc(C)c(C[N@@H+](CC)C[C@@H](C)C#N)c1C ZINC000091983030 360140764 /nfs/dbraw/zinc/14/07/64/360140764.db2.gz PPNKSYUBGORYGA-NSHDSACASA-N 1 2 248.374 2.501 20 30 BFEDLO CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@H](C)C#N ZINC000091983686 360141135 /nfs/dbraw/zinc/14/11/35/360141135.db2.gz LALOBQAZSZNWQJ-LLVKDONJSA-N 1 2 248.374 2.689 20 30 BFEDLO CC[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@H](C)C#N ZINC000091983686 360141138 /nfs/dbraw/zinc/14/11/38/360141138.db2.gz LALOBQAZSZNWQJ-LLVKDONJSA-N 1 2 248.374 2.689 20 30 BFEDLO CCOc1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000093090382 360216691 /nfs/dbraw/zinc/21/66/91/360216691.db2.gz OCKRJDUDVAIBMV-GFCCVEGCSA-N 1 2 232.327 2.819 20 30 BFEDLO CCOc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000093090382 360216694 /nfs/dbraw/zinc/21/66/94/360216694.db2.gz OCKRJDUDVAIBMV-GFCCVEGCSA-N 1 2 232.327 2.819 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000613044464 360297917 /nfs/dbraw/zinc/29/79/17/360297917.db2.gz QJFGSCNUZIZUDO-JTQLQIEISA-N 1 2 249.383 2.804 20 30 BFEDLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(C#N)cc1 ZINC000228493601 360436771 /nfs/dbraw/zinc/43/67/71/360436771.db2.gz KEXBOYMCKLSJHO-RKDXNWHRSA-N 1 2 224.254 2.862 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C#N)c(C)c1 ZINC000428857428 201045206 /nfs/dbraw/zinc/04/52/06/201045206.db2.gz SPAKGZVJMWQWEO-UHFFFAOYSA-N 1 2 239.322 2.768 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc(C#N)c(C)c1 ZINC000428857428 201045208 /nfs/dbraw/zinc/04/52/08/201045208.db2.gz SPAKGZVJMWQWEO-UHFFFAOYSA-N 1 2 239.322 2.768 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccccc1N(C)C ZINC000428851363 201045847 /nfs/dbraw/zinc/04/58/47/201045847.db2.gz RJLWNRKDQBJEIG-UHFFFAOYSA-N 1 2 243.354 2.654 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccccc1N(C)C ZINC000428851363 201045851 /nfs/dbraw/zinc/04/58/51/201045851.db2.gz RJLWNRKDQBJEIG-UHFFFAOYSA-N 1 2 243.354 2.654 20 30 BFEDLO CC#CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429255527 201085217 /nfs/dbraw/zinc/08/52/17/201085217.db2.gz UAGWHOUCAINPEY-UHFFFAOYSA-N 1 2 246.232 2.541 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000433185796 201167255 /nfs/dbraw/zinc/16/72/55/201167255.db2.gz GDJYNWUCWXRMOM-NSHDSACASA-N 1 2 248.374 2.643 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C(C)(C)C)[nH]1 ZINC000433185796 201167259 /nfs/dbraw/zinc/16/72/59/201167259.db2.gz GDJYNWUCWXRMOM-NSHDSACASA-N 1 2 248.374 2.643 20 30 BFEDLO Cc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000613241505 361706565 /nfs/dbraw/zinc/70/65/65/361706565.db2.gz ZFZRQZCQNKUPCF-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000613241505 361706570 /nfs/dbraw/zinc/70/65/70/361706570.db2.gz ZFZRQZCQNKUPCF-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO C=C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)C(=O)OC ZINC000619721614 363934918 /nfs/dbraw/zinc/93/49/18/363934918.db2.gz ZFURMROXFORSIV-SDDRHHMPSA-N 1 2 239.359 2.518 20 30 BFEDLO CCc1ccccc1C[N@@H+](CCC#N)CCOC ZINC000614988495 364276441 /nfs/dbraw/zinc/27/64/41/364276441.db2.gz JNINTPUGFIBYAY-UHFFFAOYSA-N 1 2 246.354 2.611 20 30 BFEDLO CCc1ccccc1C[N@H+](CCC#N)CCOC ZINC000614988495 364276444 /nfs/dbraw/zinc/27/64/44/364276444.db2.gz JNINTPUGFIBYAY-UHFFFAOYSA-N 1 2 246.354 2.611 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccccc1OC(F)F ZINC000068608618 370819684 /nfs/dbraw/zinc/81/96/84/370819684.db2.gz YQDONIWQJOFBOL-SECBINFHSA-N 1 2 240.253 2.680 20 30 BFEDLO C=C(C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000386716700 368013455 /nfs/dbraw/zinc/01/34/55/368013455.db2.gz QXZQPTHDCWNJEG-UHFFFAOYSA-N 1 2 219.332 2.708 20 30 BFEDLO N#C[C@@]1(F)CC[N@H+](CCC2CCCCC2)C1 ZINC000615639125 368181980 /nfs/dbraw/zinc/18/19/80/368181980.db2.gz RWZQDRQFNNEERB-ZDUSSCGKSA-N 1 2 224.323 2.894 20 30 BFEDLO N#C[C@@]1(F)CC[N@@H+](CCC2CCCCC2)C1 ZINC000615639125 368181984 /nfs/dbraw/zinc/18/19/84/368181984.db2.gz RWZQDRQFNNEERB-ZDUSSCGKSA-N 1 2 224.323 2.894 20 30 BFEDLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615649768 368191872 /nfs/dbraw/zinc/19/18/72/368191872.db2.gz CJERIDPPSHPQCP-FRRDWIJNSA-N 1 2 224.323 2.750 20 30 BFEDLO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615649768 368191877 /nfs/dbraw/zinc/19/18/77/368191877.db2.gz CJERIDPPSHPQCP-FRRDWIJNSA-N 1 2 224.323 2.750 20 30 BFEDLO C=CCCC[C@H](C)[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615637261 368145022 /nfs/dbraw/zinc/14/50/22/368145022.db2.gz GTVMPNCCVUTOAQ-NWDGAFQWSA-N 1 2 210.296 2.669 20 30 BFEDLO C=CCCC[C@H](C)[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615637261 368145025 /nfs/dbraw/zinc/14/50/25/368145025.db2.gz GTVMPNCCVUTOAQ-NWDGAFQWSA-N 1 2 210.296 2.669 20 30 BFEDLO C=CC[N@@H+](Cc1nnc(C)o1)Cc1ccccc1 ZINC000045796792 368431644 /nfs/dbraw/zinc/43/16/44/368431644.db2.gz HJHIRTXSJGRDCY-UHFFFAOYSA-N 1 2 243.310 2.566 20 30 BFEDLO C=CC[N@H+](Cc1nnc(C)o1)Cc1ccccc1 ZINC000045796792 368431647 /nfs/dbraw/zinc/43/16/47/368431647.db2.gz HJHIRTXSJGRDCY-UHFFFAOYSA-N 1 2 243.310 2.566 20 30 BFEDLO CC(C)C[N@H+](CC#N)Cc1ccccc1 ZINC000064932431 368615697 /nfs/dbraw/zinc/61/56/97/368615697.db2.gz ADILLXKSMBVEDP-UHFFFAOYSA-N 1 2 202.301 2.668 20 30 BFEDLO CC(C)C[N@@H+](CC#N)Cc1ccccc1 ZINC000064932431 368615700 /nfs/dbraw/zinc/61/57/00/368615700.db2.gz ADILLXKSMBVEDP-UHFFFAOYSA-N 1 2 202.301 2.668 20 30 BFEDLO CC(C)COCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405175188 369448046 /nfs/dbraw/zinc/44/80/46/369448046.db2.gz ZVIXFPCLRAYPBZ-UHFFFAOYSA-N 1 2 244.338 2.546 20 30 BFEDLO CC(C)COCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405175188 369448052 /nfs/dbraw/zinc/44/80/52/369448052.db2.gz ZVIXFPCLRAYPBZ-UHFFFAOYSA-N 1 2 244.338 2.546 20 30 BFEDLO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000619621573 369497832 /nfs/dbraw/zinc/49/78/32/369497832.db2.gz HKZOTDRCKDLSNG-VXGBXAGGSA-N 1 2 212.312 2.606 20 30 BFEDLO CC(C)C[C@@H](C)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000619621573 369497835 /nfs/dbraw/zinc/49/78/35/369497835.db2.gz HKZOTDRCKDLSNG-VXGBXAGGSA-N 1 2 212.312 2.606 20 30 BFEDLO C=C[C@H]([NH2+]CC1(CC(C)C)CCC1)C(=O)OC ZINC000619703235 369535857 /nfs/dbraw/zinc/53/58/57/369535857.db2.gz YEOUUEMENQCTSH-LBPRGKRZSA-N 1 2 239.359 2.520 20 30 BFEDLO N#CC[N@@H+](Cc1ccc(O)cc1)C1CCCC1 ZINC000094680089 370448503 /nfs/dbraw/zinc/44/85/03/370448503.db2.gz YPHVKTRULJXXLJ-UHFFFAOYSA-N 1 2 230.311 2.660 20 30 BFEDLO N#CC[N@H+](Cc1ccc(O)cc1)C1CCCC1 ZINC000094680089 370448506 /nfs/dbraw/zinc/44/85/06/370448506.db2.gz YPHVKTRULJXXLJ-UHFFFAOYSA-N 1 2 230.311 2.660 20 30 BFEDLO COCC[N@H+](CCC#N)Cc1ccc(C)cc1C ZINC000123394888 371068063 /nfs/dbraw/zinc/06/80/63/371068063.db2.gz YNNOHHRAXCHJLO-UHFFFAOYSA-N 1 2 246.354 2.666 20 30 BFEDLO COCC[N@@H+](CCC#N)Cc1ccc(C)cc1C ZINC000123394888 371068070 /nfs/dbraw/zinc/06/80/70/371068070.db2.gz YNNOHHRAXCHJLO-UHFFFAOYSA-N 1 2 246.354 2.666 20 30 BFEDLO Cc1cc(NCC2CC(C)(C)C2)c(C#N)c[nH+]1 ZINC000572753757 326409083 /nfs/dbraw/zinc/40/90/83/326409083.db2.gz JPIKBEKDWREBBK-UHFFFAOYSA-N 1 2 229.327 2.532 20 30 BFEDLO C[N@H+](Cc1ccco1)Cc1ccc(F)cc1C#N ZINC000171373814 372561851 /nfs/dbraw/zinc/56/18/51/372561851.db2.gz KJYXQPHLICHJSD-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1C#N ZINC000171373814 372561854 /nfs/dbraw/zinc/56/18/54/372561854.db2.gz KJYXQPHLICHJSD-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C=CC[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000179847976 206009550 /nfs/dbraw/zinc/00/95/50/206009550.db2.gz YQHOIMNUZCFINB-QWRGUYRKSA-N 1 2 227.348 2.518 20 30 BFEDLO Cc1cc(N2CCCC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425229768 206020907 /nfs/dbraw/zinc/02/09/07/206020907.db2.gz BLUQFDDGWDQJLX-NSHDSACASA-N 1 2 229.327 2.888 20 30 BFEDLO CCC[N@@H+](CC#N)CCCCC1CCOCC1 ZINC000302253161 169091273 /nfs/dbraw/zinc/09/12/73/169091273.db2.gz LPXLQWXVUVURAL-UHFFFAOYSA-N 1 2 238.375 2.819 20 30 BFEDLO CCC[N@H+](CC#N)CCCCC1CCOCC1 ZINC000302253161 169091276 /nfs/dbraw/zinc/09/12/76/169091276.db2.gz LPXLQWXVUVURAL-UHFFFAOYSA-N 1 2 238.375 2.819 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCO[C@H](C2CC2)C1 ZINC000154227007 183300041 /nfs/dbraw/zinc/30/00/41/183300041.db2.gz JWHRJPMTPMWJAR-LDTNDYRISA-N 1 2 245.322 2.769 20 30 BFEDLO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC#N ZINC000181663806 134338338 /nfs/dbraw/zinc/33/83/38/134338338.db2.gz MTKLGWKBTLQXQP-ZDUSSCGKSA-N 1 2 220.291 2.506 20 30 BFEDLO Cc1ccc(F)c(C[NH2+]CC2(C#N)CC2)c1 ZINC000309621475 383885880 /nfs/dbraw/zinc/88/58/80/383885880.db2.gz DMTHRGUMQXLCTL-UHFFFAOYSA-N 1 2 218.275 2.528 20 30 BFEDLO CC1(C)C[N@H+](Cc2nc(C#N)cs2)[C@@H]1C1CC1 ZINC000334978054 383990954 /nfs/dbraw/zinc/99/09/54/383990954.db2.gz PRJXIVLQMCUHCT-GFCCVEGCSA-N 1 2 247.367 2.635 20 30 BFEDLO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)[C@@H]1C1CC1 ZINC000334978054 383990959 /nfs/dbraw/zinc/99/09/59/383990959.db2.gz PRJXIVLQMCUHCT-GFCCVEGCSA-N 1 2 247.367 2.635 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccncc1F ZINC000337951041 384154742 /nfs/dbraw/zinc/15/47/42/384154742.db2.gz WPCZEMPCWSZPCQ-SECBINFHSA-N 1 2 245.257 2.536 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC000093090632 384210666 /nfs/dbraw/zinc/21/06/66/384210666.db2.gz NHAWJPIZGYEMTQ-NSHDSACASA-N 1 2 247.298 2.637 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC000093090632 384210670 /nfs/dbraw/zinc/21/06/70/384210670.db2.gz NHAWJPIZGYEMTQ-NSHDSACASA-N 1 2 247.298 2.637 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000093090788 384211554 /nfs/dbraw/zinc/21/15/54/384211554.db2.gz UWRDCSCMSHLNJT-LBPRGKRZSA-N 1 2 242.322 2.696 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)CC1=Cc2ccccc2OC1 ZINC000093090788 384211556 /nfs/dbraw/zinc/21/15/56/384211556.db2.gz UWRDCSCMSHLNJT-LBPRGKRZSA-N 1 2 242.322 2.696 20 30 BFEDLO CC(C)[C@@H]1[N@H+](Cc2nc(C#N)cs2)CC1(C)C ZINC000336333086 384212915 /nfs/dbraw/zinc/21/29/15/384212915.db2.gz NKPPJVWGPNNPEA-LBPRGKRZSA-N 1 2 249.383 2.881 20 30 BFEDLO CC(C)[C@@H]1[N@@H+](Cc2nc(C#N)cs2)CC1(C)C ZINC000336333086 384212917 /nfs/dbraw/zinc/21/29/17/384212917.db2.gz NKPPJVWGPNNPEA-LBPRGKRZSA-N 1 2 249.383 2.881 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000074048288 384273018 /nfs/dbraw/zinc/27/30/18/384273018.db2.gz WMBJAUIJDFJWNF-VIFPVBQESA-N 1 2 224.254 2.556 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000074048288 384273025 /nfs/dbraw/zinc/27/30/25/384273025.db2.gz WMBJAUIJDFJWNF-VIFPVBQESA-N 1 2 224.254 2.556 20 30 BFEDLO C[C@]1(F)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000336617889 384241865 /nfs/dbraw/zinc/24/18/65/384241865.db2.gz AJGOBYAKIRLJCP-NSHDSACASA-N 1 2 224.304 2.554 20 30 BFEDLO C[C@]1(F)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000336617889 384241872 /nfs/dbraw/zinc/24/18/72/384241872.db2.gz AJGOBYAKIRLJCP-NSHDSACASA-N 1 2 224.304 2.554 20 30 BFEDLO C[N@H+](Cc1ccc(C#N)s1)C(C)(C)C ZINC000335448611 384290924 /nfs/dbraw/zinc/29/09/24/384290924.db2.gz AZHXFRBLBBUQGI-UHFFFAOYSA-N 1 2 208.330 2.850 20 30 BFEDLO C[N@@H+](Cc1ccc(C#N)s1)C(C)(C)C ZINC000335448611 384290931 /nfs/dbraw/zinc/29/09/31/384290931.db2.gz AZHXFRBLBBUQGI-UHFFFAOYSA-N 1 2 208.330 2.850 20 30 BFEDLO C=C(Cl)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000299730846 384354138 /nfs/dbraw/zinc/35/41/38/384354138.db2.gz WYJSJTDIXXLOMM-SNVBAGLBSA-N 1 2 210.708 2.827 20 30 BFEDLO C=C(Cl)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000299730846 384354142 /nfs/dbraw/zinc/35/41/42/384354142.db2.gz WYJSJTDIXXLOMM-SNVBAGLBSA-N 1 2 210.708 2.827 20 30 BFEDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000160167641 384391228 /nfs/dbraw/zinc/39/12/28/384391228.db2.gz RIMAZAQXZZLESJ-ZDUSSCGKSA-N 1 2 244.338 2.802 20 30 BFEDLO Cc1ccc(C(=O)CC[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000160167641 384391235 /nfs/dbraw/zinc/39/12/35/384391235.db2.gz RIMAZAQXZZLESJ-ZDUSSCGKSA-N 1 2 244.338 2.802 20 30 BFEDLO C=CCOc1ccc(C[NH2+]CC(F)F)cc1 ZINC000147400498 384452305 /nfs/dbraw/zinc/45/23/05/384452305.db2.gz GMRZAZLBXGUQDI-UHFFFAOYSA-N 1 2 227.254 2.606 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(F)c1 ZINC000048298838 384483969 /nfs/dbraw/zinc/48/39/69/384483969.db2.gz XXZFNTPOPHOBSS-UHFFFAOYSA-N 1 2 236.290 2.570 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(F)c1 ZINC000048298838 384483973 /nfs/dbraw/zinc/48/39/73/384483973.db2.gz XXZFNTPOPHOBSS-UHFFFAOYSA-N 1 2 236.290 2.570 20 30 BFEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC#N ZINC000050508056 384629147 /nfs/dbraw/zinc/62/91/47/384629147.db2.gz SSHNQLCDVYIFJD-SNVBAGLBSA-N 1 2 233.271 2.501 20 30 BFEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC#N ZINC000050508056 384629151 /nfs/dbraw/zinc/62/91/51/384629151.db2.gz SSHNQLCDVYIFJD-SNVBAGLBSA-N 1 2 233.271 2.501 20 30 BFEDLO Cc1ccc(NCc2ccc(C#N)o2)c(C)[nH+]1 ZINC000119072909 384674245 /nfs/dbraw/zinc/67/42/45/384674245.db2.gz WCVLSMCWVVXOFU-UHFFFAOYSA-N 1 2 227.267 2.775 20 30 BFEDLO CC(C)c1nc(NCCCCC#N)cc[nH+]1 ZINC000171926091 384677144 /nfs/dbraw/zinc/67/71/44/384677144.db2.gz MJPPXZZAKWYTRT-UHFFFAOYSA-N 1 2 218.304 2.706 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)CCC(C)C)on1 ZINC000173541219 384694025 /nfs/dbraw/zinc/69/40/25/384694025.db2.gz STHLJVJWDIUHSH-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO Cc1cc(C[N@H+](CCC#N)CCC(C)C)on1 ZINC000173541219 384694032 /nfs/dbraw/zinc/69/40/32/384694032.db2.gz STHLJVJWDIUHSH-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO C=C[C@](C)(CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297700099 384884980 /nfs/dbraw/zinc/88/49/80/384884980.db2.gz IHJVWPWFJJNIAS-CQSZACIVSA-N 1 2 243.310 2.875 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC000127585444 384921014 /nfs/dbraw/zinc/92/10/14/384921014.db2.gz WXPMHSLFSWXNRR-UHFFFAOYSA-N 1 2 224.254 2.700 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC000127585444 384921022 /nfs/dbraw/zinc/92/10/22/384921022.db2.gz WXPMHSLFSWXNRR-UHFFFAOYSA-N 1 2 224.254 2.700 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)cn1)CC(C)(C)C#N ZINC000559471213 384948469 /nfs/dbraw/zinc/94/84/69/384948469.db2.gz OPUHIOLPSIPECC-UHFFFAOYSA-N 1 2 237.734 2.717 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)cn1)CC(C)(C)C#N ZINC000559471213 384948473 /nfs/dbraw/zinc/94/84/73/384948473.db2.gz OPUHIOLPSIPECC-UHFFFAOYSA-N 1 2 237.734 2.717 20 30 BFEDLO C=CCCCCSc1nc(N)cc(C)[nH+]1 ZINC000556234747 384983447 /nfs/dbraw/zinc/98/34/47/384983447.db2.gz AFTLCADQYQEANA-UHFFFAOYSA-N 1 2 223.345 2.646 20 30 BFEDLO C=CCCC[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000302866751 385009734 /nfs/dbraw/zinc/00/97/34/385009734.db2.gz YXSCSUVPWIHMSR-MRVPVSSYSA-N 1 2 240.738 2.869 20 30 BFEDLO C=CCCC[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000302866751 385009748 /nfs/dbraw/zinc/00/97/48/385009748.db2.gz YXSCSUVPWIHMSR-MRVPVSSYSA-N 1 2 240.738 2.869 20 30 BFEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246405261 385158110 /nfs/dbraw/zinc/15/81/10/385158110.db2.gz IXDZKRJSPQMHMN-DGCLKSJQSA-N 1 2 235.352 2.533 20 30 BFEDLO CC#CC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246405261 385158124 /nfs/dbraw/zinc/15/81/24/385158124.db2.gz IXDZKRJSPQMHMN-DGCLKSJQSA-N 1 2 235.352 2.533 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448275388 385270029 /nfs/dbraw/zinc/27/00/29/385270029.db2.gz JMIRVIVSJCYHMO-KBXIAJHMSA-N 1 2 248.370 2.570 20 30 BFEDLO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448275388 385270036 /nfs/dbraw/zinc/27/00/36/385270036.db2.gz JMIRVIVSJCYHMO-KBXIAJHMSA-N 1 2 248.370 2.570 20 30 BFEDLO CC#CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000157740982 385272543 /nfs/dbraw/zinc/27/25/43/385272543.db2.gz BBVWCRUFLKEFEG-CQSZACIVSA-N 1 2 249.741 2.737 20 30 BFEDLO CC#CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000157740982 385272547 /nfs/dbraw/zinc/27/25/47/385272547.db2.gz BBVWCRUFLKEFEG-CQSZACIVSA-N 1 2 249.741 2.737 20 30 BFEDLO C#CC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000491703871 385570503 /nfs/dbraw/zinc/57/05/03/385570503.db2.gz STOLPGYQGGISFD-ZDUSSCGKSA-N 1 2 221.250 2.735 20 30 BFEDLO C#CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000491703871 385570506 /nfs/dbraw/zinc/57/05/06/385570506.db2.gz STOLPGYQGGISFD-ZDUSSCGKSA-N 1 2 221.250 2.735 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccncc1Cl ZINC000580325022 385627193 /nfs/dbraw/zinc/62/71/93/385627193.db2.gz JMLCWRMQJZOZIF-JTQLQIEISA-N 1 2 223.707 2.517 20 30 BFEDLO CCc1nc([C@@H](C)[NH2+]CC2(C#N)CC2)cs1 ZINC000309481660 385607476 /nfs/dbraw/zinc/60/74/76/385607476.db2.gz UBPYHJSIKUTGMS-SECBINFHSA-N 1 2 235.356 2.660 20 30 BFEDLO COc1ccccc1/C=C/C[N@H+](C)C[C@@H](C)C#N ZINC000271113667 385786796 /nfs/dbraw/zinc/78/67/96/385786796.db2.gz DFYLFGBOKAEOLP-CFNZNRNTSA-N 1 2 244.338 2.800 20 30 BFEDLO COc1ccccc1/C=C/C[N@@H+](C)C[C@@H](C)C#N ZINC000271113667 385786804 /nfs/dbraw/zinc/78/68/04/385786804.db2.gz DFYLFGBOKAEOLP-CFNZNRNTSA-N 1 2 244.338 2.800 20 30 BFEDLO CC1(C)C[C@H](c2ccccc2)[N@H+](CC#N)C1 ZINC000335626780 385828407 /nfs/dbraw/zinc/82/84/07/385828407.db2.gz IXARUXKXHHIKKS-CYBMUJFWSA-N 1 2 214.312 2.983 20 30 BFEDLO CC1(C)C[C@H](c2ccccc2)[N@@H+](CC#N)C1 ZINC000335626780 385828410 /nfs/dbraw/zinc/82/84/10/385828410.db2.gz IXARUXKXHHIKKS-CYBMUJFWSA-N 1 2 214.312 2.983 20 30 BFEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000424881843 385918490 /nfs/dbraw/zinc/91/84/90/385918490.db2.gz XZRHNJADPVNFAP-NSHDSACASA-N 1 2 249.358 2.683 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000163747418 386259228 /nfs/dbraw/zinc/25/92/28/386259228.db2.gz LLMJCZDESIOFRG-JTQLQIEISA-N 1 2 249.745 2.976 20 30 BFEDLO C=CCC1(C(=O)Nc2c[nH+]ccc2OC)CCC1 ZINC000190801978 386327995 /nfs/dbraw/zinc/32/79/95/386327995.db2.gz JHARJSSNEVEPRI-UHFFFAOYSA-N 1 2 246.310 2.775 20 30 BFEDLO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(F)(F)F ZINC000335275484 386336436 /nfs/dbraw/zinc/33/64/36/386336436.db2.gz BGCXFZWBEILQGQ-IDKOKCKLSA-N 1 2 234.265 2.999 20 30 BFEDLO C=CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000519407666 386433355 /nfs/dbraw/zinc/43/33/55/386433355.db2.gz USPBWRBDYLPUSC-OLZOCXBDSA-N 1 2 249.358 2.695 20 30 BFEDLO CC#CC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000339759033 386593290 /nfs/dbraw/zinc/59/32/90/386593290.db2.gz WITQAIJYEAJVQX-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000339759033 386593293 /nfs/dbraw/zinc/59/32/93/386593293.db2.gz WITQAIJYEAJVQX-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO CC(C)CC[N@H+](CCC#N)CC1(F)CC1 ZINC000526971072 386713250 /nfs/dbraw/zinc/71/32/50/386713250.db2.gz YAWZABQIAROOIQ-UHFFFAOYSA-N 1 2 212.312 2.750 20 30 BFEDLO CC(C)CC[N@@H+](CCC#N)CC1(F)CC1 ZINC000526971072 386713257 /nfs/dbraw/zinc/71/32/57/386713257.db2.gz YAWZABQIAROOIQ-UHFFFAOYSA-N 1 2 212.312 2.750 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccnn1CC(C)C ZINC000647998799 386726110 /nfs/dbraw/zinc/72/61/10/386726110.db2.gz KGSRXKOIXIGECN-UHFFFAOYSA-N 1 2 233.359 2.713 20 30 BFEDLO CC[C@H](C)C[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000330599427 386806375 /nfs/dbraw/zinc/80/63/75/386806375.db2.gz XMDSXOJKHRISFY-JQWIXIFHSA-N 1 2 249.358 2.963 20 30 BFEDLO CC1(C)CCC[N@H+](CC[C@H]2CCCO2)[C@@H]1C#N ZINC000334782431 386839042 /nfs/dbraw/zinc/83/90/42/386839042.db2.gz XPKRCQPBAIOYEU-CHWSQXEVSA-N 1 2 236.359 2.570 20 30 BFEDLO CC1(C)CCC[N@@H+](CC[C@H]2CCCO2)[C@@H]1C#N ZINC000334782431 386839046 /nfs/dbraw/zinc/83/90/46/386839046.db2.gz XPKRCQPBAIOYEU-CHWSQXEVSA-N 1 2 236.359 2.570 20 30 BFEDLO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000330803550 386892598 /nfs/dbraw/zinc/89/25/98/386892598.db2.gz BIMVNXVAPKYMSQ-RWMBFGLXSA-N 1 2 243.310 2.545 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cn2c(cccc2C)n1 ZINC000051767028 386871213 /nfs/dbraw/zinc/87/12/13/386871213.db2.gz ZGSMOABJRXRVJS-UHFFFAOYSA-N 1 2 241.338 2.817 20 30 BFEDLO Cc1cc(N[C@H]2CCC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399519960 386954231 /nfs/dbraw/zinc/95/42/31/386954231.db2.gz QJAARMVLYLAHRT-GWCFXTLKSA-N 1 2 229.327 2.674 20 30 BFEDLO Cc1cc(N[C@H]2C[C@@H]2c2ccccc2)c(C#N)c[nH+]1 ZINC000399604567 387036941 /nfs/dbraw/zinc/03/69/41/387036941.db2.gz WGIABNYGVXEYFL-ZBFHGGJFSA-N 1 2 249.317 2.652 20 30 BFEDLO CC[C@H](C)CN(C)c1cc(C)[nH+]cc1C#N ZINC000399415904 387058728 /nfs/dbraw/zinc/05/87/28/387058728.db2.gz XVSIJNFLRGNNLP-JTQLQIEISA-N 1 2 217.316 2.744 20 30 BFEDLO CCCc1nc(C)c(C[NH2+][C@H](CC)CC#N)o1 ZINC000571697264 387149657 /nfs/dbraw/zinc/14/96/57/387149657.db2.gz FUSWQSFNYXQJAV-LLVKDONJSA-N 1 2 235.331 2.717 20 30 BFEDLO Cc1cccc(C[NH2+]CC2(C#N)CCC2)c1F ZINC000418142270 387165257 /nfs/dbraw/zinc/16/52/57/387165257.db2.gz MNMTUQZMOLJKGX-UHFFFAOYSA-N 1 2 232.302 2.918 20 30 BFEDLO C=CCOCCSCCc1cccc(C)[nH+]1 ZINC000571801047 387173254 /nfs/dbraw/zinc/17/32/54/387173254.db2.gz PSOZROGOXSVNRD-UHFFFAOYSA-N 1 2 237.368 2.868 20 30 BFEDLO Cc1cn(Cc2ccc(C)[nH+]c2C)cc1C#N ZINC000548142199 387275096 /nfs/dbraw/zinc/27/50/96/387275096.db2.gz FUFOSPZSCGXUTD-UHFFFAOYSA-N 1 2 225.295 2.728 20 30 BFEDLO CS[C@H]1CCCC[N@@H+](C(C)(C)C#N)C1 ZINC000161972401 387289361 /nfs/dbraw/zinc/28/93/61/387289361.db2.gz SDIJWNSMSHKTQN-JTQLQIEISA-N 1 2 212.362 2.506 20 30 BFEDLO CS[C@H]1CCCC[N@H+](C(C)(C)C#N)C1 ZINC000161972401 387289366 /nfs/dbraw/zinc/28/93/66/387289366.db2.gz SDIJWNSMSHKTQN-JTQLQIEISA-N 1 2 212.362 2.506 20 30 BFEDLO C#CC[C@H]([NH2+]Cc1cc(C)on1)c1ccccc1 ZINC000271722041 387448025 /nfs/dbraw/zinc/44/80/25/387448025.db2.gz QIIRHPHXQGYLPI-HNNXBMFYSA-N 1 2 240.306 2.837 20 30 BFEDLO Cc1ccc(NCc2nc(C#N)cs2)c(C)[nH+]1 ZINC000352792507 387513684 /nfs/dbraw/zinc/51/36/84/387513684.db2.gz BFBISPWZMMHGJJ-UHFFFAOYSA-N 1 2 244.323 2.639 20 30 BFEDLO CC#CCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000425596852 387524882 /nfs/dbraw/zinc/52/48/82/387524882.db2.gz PQNPKIDIQNAZOI-UHFFFAOYSA-N 1 2 230.311 2.831 20 30 BFEDLO CCCc1csc(C[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000426356925 387557840 /nfs/dbraw/zinc/55/78/40/387557840.db2.gz NOEFRLAOSIANTO-JQWIXIFHSA-N 1 2 249.383 2.877 20 30 BFEDLO C=CCCN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431420656 387707992 /nfs/dbraw/zinc/70/79/92/387707992.db2.gz IEBWMQPODXJCDO-UHFFFAOYSA-N 1 2 233.290 2.725 20 30 BFEDLO C=CCN(c1[nH+]c2ccc(F)cc2n1C)C1CC1 ZINC000431410589 387708215 /nfs/dbraw/zinc/70/82/15/387708215.db2.gz QUFXRLRQOZXMNV-UHFFFAOYSA-N 1 2 245.301 2.867 20 30 BFEDLO Cc1cc(NCCC2CCCC2)c(C#N)c[nH+]1 ZINC000399484142 387709860 /nfs/dbraw/zinc/70/98/60/387709860.db2.gz FYYQXAOCOXDGQB-UHFFFAOYSA-N 1 2 229.327 2.676 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442804841 387843343 /nfs/dbraw/zinc/84/33/43/387843343.db2.gz WVPIZEAIKMUZFI-UHFFFAOYSA-N 1 2 245.248 2.603 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442813563 387846884 /nfs/dbraw/zinc/84/68/84/387846884.db2.gz SSAOSUFWIPTCAL-WDEREUQCSA-N 1 2 235.331 2.579 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442813558 387847113 /nfs/dbraw/zinc/84/71/13/387847113.db2.gz SSAOSUFWIPTCAL-GHMZBOCLSA-N 1 2 235.331 2.579 20 30 BFEDLO CC#CC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000173700376 387898809 /nfs/dbraw/zinc/89/88/09/387898809.db2.gz YKLHFWMVNXIEON-UHFFFAOYSA-N 1 2 247.342 2.575 20 30 BFEDLO C[C@@H]1CC[C@@H](C[N@@H+]2CCCC(C)(C)[C@@H]2C#N)O1 ZINC000444728157 387916218 /nfs/dbraw/zinc/91/62/18/387916218.db2.gz QOJFIXDHVFPIGN-AGIUHOORSA-N 1 2 236.359 2.568 20 30 BFEDLO C[C@@H]1CC[C@@H](C[N@H+]2CCCC(C)(C)[C@@H]2C#N)O1 ZINC000444728157 387916223 /nfs/dbraw/zinc/91/62/23/387916223.db2.gz QOJFIXDHVFPIGN-AGIUHOORSA-N 1 2 236.359 2.568 20 30 BFEDLO C[C@H]1C[C@H](CC[N@H+](C)CC#N)C[C@@H](C)C1 ZINC000246302122 388029388 /nfs/dbraw/zinc/02/93/88/388029388.db2.gz VHYDJEXFGAFYJZ-ITGUQSILSA-N 1 2 208.349 2.904 20 30 BFEDLO C[C@H]1C[C@H](CC[N@@H+](C)CC#N)C[C@@H](C)C1 ZINC000246302122 388029390 /nfs/dbraw/zinc/02/93/90/388029390.db2.gz VHYDJEXFGAFYJZ-ITGUQSILSA-N 1 2 208.349 2.904 20 30 BFEDLO C=C(C)CC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000453321303 388046591 /nfs/dbraw/zinc/04/65/91/388046591.db2.gz PQIZXZAOALNXNH-CYBMUJFWSA-N 1 2 248.374 2.982 20 30 BFEDLO C=CCCCCCn1ncc2c1nc[nH+]c2NC ZINC000195394136 388161442 /nfs/dbraw/zinc/16/14/42/388161442.db2.gz XCDIYMPTBATWDM-UHFFFAOYSA-N 1 2 245.330 2.614 20 30 BFEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456337676 388195431 /nfs/dbraw/zinc/19/54/31/388195431.db2.gz BHRFZWINMILLCU-BXUZGUMPSA-N 1 2 249.358 2.683 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(CCC)no1 ZINC000489505461 388219821 /nfs/dbraw/zinc/21/98/21/388219821.db2.gz CYLUVLHGGIFFOT-LLVKDONJSA-N 1 2 235.331 2.563 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CCC)no1 ZINC000489505461 388219823 /nfs/dbraw/zinc/21/98/23/388219823.db2.gz CYLUVLHGGIFFOT-LLVKDONJSA-N 1 2 235.331 2.563 20 30 BFEDLO C#CC[N@@H+](Cc1nc2cc(F)ccc2o1)C1CC1 ZINC000491326108 388285563 /nfs/dbraw/zinc/28/55/63/388285563.db2.gz JYLMHNKKGQGMOH-UHFFFAOYSA-N 1 2 244.269 2.565 20 30 BFEDLO C#CC[N@H+](Cc1nc2cc(F)ccc2o1)C1CC1 ZINC000491326108 388285564 /nfs/dbraw/zinc/28/55/64/388285564.db2.gz JYLMHNKKGQGMOH-UHFFFAOYSA-N 1 2 244.269 2.565 20 30 BFEDLO C#CC[N@H+](Cc1cncs1)Cc1ccccc1 ZINC000491425839 388293992 /nfs/dbraw/zinc/29/39/92/388293992.db2.gz CSCZALGCAQWBBV-UHFFFAOYSA-N 1 2 242.347 2.779 20 30 BFEDLO C#CC[N@@H+](Cc1cncs1)Cc1ccccc1 ZINC000491425839 388293994 /nfs/dbraw/zinc/29/39/94/388293994.db2.gz CSCZALGCAQWBBV-UHFFFAOYSA-N 1 2 242.347 2.779 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1ccc(C)nc1Cl ZINC000491514030 388300532 /nfs/dbraw/zinc/30/05/32/388300532.db2.gz GAPZEOHSCIBBRX-UHFFFAOYSA-N 1 2 236.746 2.887 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000491514030 388300534 /nfs/dbraw/zinc/30/05/34/388300534.db2.gz GAPZEOHSCIBBRX-UHFFFAOYSA-N 1 2 236.746 2.887 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000491707413 388313651 /nfs/dbraw/zinc/31/36/51/388313651.db2.gz NMHFYWUSEIVAPQ-SNVBAGLBSA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000491707413 388313652 /nfs/dbraw/zinc/31/36/52/388313652.db2.gz NMHFYWUSEIVAPQ-SNVBAGLBSA-N 1 2 246.335 2.857 20 30 BFEDLO C#CC[N@@H+](Cc1oc(CCC)nc1C)C1CC1 ZINC000491710992 388313910 /nfs/dbraw/zinc/31/39/10/388313910.db2.gz VPYDDACCNPOXKO-UHFFFAOYSA-N 1 2 232.327 2.533 20 30 BFEDLO C#CC[N@H+](Cc1oc(CCC)nc1C)C1CC1 ZINC000491710992 388313911 /nfs/dbraw/zinc/31/39/11/388313911.db2.gz VPYDDACCNPOXKO-UHFFFAOYSA-N 1 2 232.327 2.533 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000491808147 388322324 /nfs/dbraw/zinc/32/23/24/388322324.db2.gz DDUVJMOZJRAEGR-QMMMGPOBSA-N 1 2 227.229 2.557 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(F)c(F)cc1F ZINC000491808147 388322325 /nfs/dbraw/zinc/32/23/25/388322325.db2.gz DDUVJMOZJRAEGR-QMMMGPOBSA-N 1 2 227.229 2.557 20 30 BFEDLO C#C[C@H]([NH2+]Cc1conc1C)c1ccc(F)cc1 ZINC000491178771 388275333 /nfs/dbraw/zinc/27/53/33/388275333.db2.gz BFTOLHNKDQEFSE-AWEZNQCLSA-N 1 2 244.269 2.586 20 30 BFEDLO C=CCOc1cc[nH+]c2cc(OC)ccc21 ZINC000165340523 388399000 /nfs/dbraw/zinc/39/90/00/388399000.db2.gz CLZLJCGEIOJCDC-UHFFFAOYSA-N 1 2 215.252 2.808 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)cc1F ZINC000162963677 388459160 /nfs/dbraw/zinc/45/91/60/388459160.db2.gz GROBHOYECXCSJN-QMMMGPOBSA-N 1 2 226.682 2.728 20 30 BFEDLO COC1(CC[N@H+](CC#N)C2CCCC2)CCC1 ZINC000336655186 388459621 /nfs/dbraw/zinc/45/96/21/388459621.db2.gz IRBYNBQQLZGSLW-UHFFFAOYSA-N 1 2 236.359 2.714 20 30 BFEDLO COC1(CC[N@@H+](CC#N)C2CCCC2)CCC1 ZINC000336655186 388459624 /nfs/dbraw/zinc/45/96/24/388459624.db2.gz IRBYNBQQLZGSLW-UHFFFAOYSA-N 1 2 236.359 2.714 20 30 BFEDLO COCC[N@H+](CC#N)C[C@H](C)C1CCCCC1 ZINC000316998614 388425648 /nfs/dbraw/zinc/42/56/48/388425648.db2.gz MYFMCOZEYJVQGV-ZDUSSCGKSA-N 1 2 238.375 2.675 20 30 BFEDLO COCC[N@@H+](CC#N)C[C@H](C)C1CCCCC1 ZINC000316998614 388425650 /nfs/dbraw/zinc/42/56/50/388425650.db2.gz MYFMCOZEYJVQGV-ZDUSSCGKSA-N 1 2 238.375 2.675 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ncccc1Cl ZINC000528524525 388542800 /nfs/dbraw/zinc/54/28/00/388542800.db2.gz WQSXGDGQIGHPRE-VIFPVBQESA-N 1 2 223.707 2.517 20 30 BFEDLO CC[C@H]([NH2+]Cc1cccc(C#N)c1)C(F)F ZINC000449361101 388747838 /nfs/dbraw/zinc/74/78/38/388747838.db2.gz KNISGVGMNGHWLO-NSHDSACASA-N 1 2 224.254 2.692 20 30 BFEDLO CC[C@H]([NH2+]Cc1cc(C#N)cs1)C(F)F ZINC000449356778 388748047 /nfs/dbraw/zinc/74/80/47/388748047.db2.gz AUDZEERRHYPNHY-VIFPVBQESA-N 1 2 230.283 2.753 20 30 BFEDLO C=CC[N@H+](CCC#N)CCc1ccccc1 ZINC000065959835 388706723 /nfs/dbraw/zinc/70/67/23/388706723.db2.gz KFYWDXFYFOCQHT-UHFFFAOYSA-N 1 2 214.312 2.631 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCc1ccccc1 ZINC000065959835 388706726 /nfs/dbraw/zinc/70/67/26/388706726.db2.gz KFYWDXFYFOCQHT-UHFFFAOYSA-N 1 2 214.312 2.631 20 30 BFEDLO COc1ccc(COc2cc[nH+]cc2)cc1C#N ZINC000431488940 388731498 /nfs/dbraw/zinc/73/14/98/388731498.db2.gz RYADYJQJZYPUPO-UHFFFAOYSA-N 1 2 240.262 2.541 20 30 BFEDLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)o1 ZINC000091937731 388732210 /nfs/dbraw/zinc/73/22/10/388732210.db2.gz ANLGIXHWOAKKEN-AOOOYVTPSA-N 1 2 204.273 2.524 20 30 BFEDLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)o1 ZINC000091937731 388732212 /nfs/dbraw/zinc/73/22/12/388732212.db2.gz ANLGIXHWOAKKEN-AOOOYVTPSA-N 1 2 204.273 2.524 20 30 BFEDLO CCC[N@H+](CC#N)[C@@H](C)Cc1ccsc1 ZINC000541221846 388844545 /nfs/dbraw/zinc/84/45/45/388844545.db2.gz ZJJTWAJXPNJKKR-NSHDSACASA-N 1 2 222.357 2.915 20 30 BFEDLO CCC[N@@H+](CC#N)[C@@H](C)Cc1ccsc1 ZINC000541221846 388844549 /nfs/dbraw/zinc/84/45/49/388844549.db2.gz ZJJTWAJXPNJKKR-NSHDSACASA-N 1 2 222.357 2.915 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000541760098 388867590 /nfs/dbraw/zinc/86/75/90/388867590.db2.gz CZPHZLJQMVBDQL-SECBINFHSA-N 1 2 232.258 2.821 20 30 BFEDLO Cc1cnc(C2CC[NH+](CCC#N)CC2)s1 ZINC000277542375 133551981 /nfs/dbraw/zinc/55/19/81/133551981.db2.gz VNJVLDWIVYZNSR-UHFFFAOYSA-N 1 2 235.356 2.545 20 30 BFEDLO C[C@H](F)CC[N@H+](CCC#N)Cc1ccco1 ZINC000352011649 134035075 /nfs/dbraw/zinc/03/50/75/134035075.db2.gz CCLHWXPWAWRPGG-NSHDSACASA-N 1 2 224.279 2.743 20 30 BFEDLO C[C@H](F)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000352011649 134035076 /nfs/dbraw/zinc/03/50/76/134035076.db2.gz CCLHWXPWAWRPGG-NSHDSACASA-N 1 2 224.279 2.743 20 30 BFEDLO COc1ccccc1/C=C\C[N@H+](C)C[C@@H](C)C#N ZINC000352101745 134067907 /nfs/dbraw/zinc/06/79/07/134067907.db2.gz DFYLFGBOKAEOLP-WOLRVDTOSA-N 1 2 244.338 2.800 20 30 BFEDLO COc1ccccc1/C=C\C[N@@H+](C)C[C@@H](C)C#N ZINC000352101745 134067908 /nfs/dbraw/zinc/06/79/08/134067908.db2.gz DFYLFGBOKAEOLP-WOLRVDTOSA-N 1 2 244.338 2.800 20 30 BFEDLO N#CC1(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000336447450 134147580 /nfs/dbraw/zinc/14/75/80/134147580.db2.gz RSGJQARFMNILNA-CQSZACIVSA-N 1 2 248.370 2.571 20 30 BFEDLO N#CC1(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000336447450 134147581 /nfs/dbraw/zinc/14/75/81/134147581.db2.gz RSGJQARFMNILNA-CQSZACIVSA-N 1 2 248.370 2.571 20 30 BFEDLO C=C(C)CC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000336498652 134148580 /nfs/dbraw/zinc/14/85/80/134148580.db2.gz SQQXQPPUJRDBCE-CABCVRRESA-N 1 2 248.370 2.880 20 30 BFEDLO C=C(C)CC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000336498652 134148581 /nfs/dbraw/zinc/14/85/81/134148581.db2.gz SQQXQPPUJRDBCE-CABCVRRESA-N 1 2 248.370 2.880 20 30 BFEDLO C=C(C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000302058476 134157359 /nfs/dbraw/zinc/15/73/59/134157359.db2.gz RCEMLIGRXKAJIJ-UHFFFAOYSA-N 1 2 219.332 2.921 20 30 BFEDLO N#CC[N@H+](CCCCOc1ccccc1)C1CC1 ZINC000357626692 134184356 /nfs/dbraw/zinc/18/43/56/134184356.db2.gz KGFGQRFKOFXABH-UHFFFAOYSA-N 1 2 244.338 2.834 20 30 BFEDLO N#CC[N@@H+](CCCCOc1ccccc1)C1CC1 ZINC000357626692 134184357 /nfs/dbraw/zinc/18/43/57/134184357.db2.gz KGFGQRFKOFXABH-UHFFFAOYSA-N 1 2 244.338 2.834 20 30 BFEDLO CC[N@@H+](CC#N)CCCc1ccsc1 ZINC000360892259 134202412 /nfs/dbraw/zinc/20/24/12/134202412.db2.gz DAHOXZBHMHBPBB-UHFFFAOYSA-N 1 2 208.330 2.526 20 30 BFEDLO CC[N@H+](CC#N)CCCc1ccsc1 ZINC000360892259 134202413 /nfs/dbraw/zinc/20/24/13/134202413.db2.gz DAHOXZBHMHBPBB-UHFFFAOYSA-N 1 2 208.330 2.526 20 30 BFEDLO C[N@@H+](CC#Cc1ccccc1)CCC(F)(F)F ZINC000361714216 134207509 /nfs/dbraw/zinc/20/75/09/134207509.db2.gz NYFRDEAECHXPPY-UHFFFAOYSA-N 1 2 241.256 2.922 20 30 BFEDLO C[N@H+](CC#Cc1ccccc1)CCC(F)(F)F ZINC000361714216 134207510 /nfs/dbraw/zinc/20/75/10/134207510.db2.gz NYFRDEAECHXPPY-UHFFFAOYSA-N 1 2 241.256 2.922 20 30 BFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)[C@@H](C)[C@@H](C)O1 ZINC000361847589 134207644 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/nfs/dbraw/zinc/17/19/52/583171952.db2.gz AUFRUJPUBBMMGS-NSHDSACASA-N 1 2 237.734 2.825 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NC1CCC1 ZINC000853296568 588731391 /nfs/dbraw/zinc/73/13/91/588731391.db2.gz GWXICZDMAHCGTG-UHFFFAOYSA-N 1 2 230.311 2.838 20 30 BFEDLO C=CCC[N@@H+](C)Cn1nc(CC)sc1=S ZINC000853509068 588746776 /nfs/dbraw/zinc/74/67/76/588746776.db2.gz VUVAWUYAEUACKH-UHFFFAOYSA-N 1 2 243.401 2.702 20 30 BFEDLO C=CCC[N@H+](C)Cn1nc(CC)sc1=S ZINC000853509068 588746777 /nfs/dbraw/zinc/74/67/77/588746777.db2.gz VUVAWUYAEUACKH-UHFFFAOYSA-N 1 2 243.401 2.702 20 30 BFEDLO NC(=[NH+]OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1 ZINC000853646749 588752161 /nfs/dbraw/zinc/75/21/61/588752161.db2.gz YFYIKTWXAOIXMG-YHPBZONMSA-N 1 2 248.301 2.509 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NCCC=C ZINC000853790744 588763641 /nfs/dbraw/zinc/76/36/41/588763641.db2.gz JTBICPMPNNFXOU-UHFFFAOYSA-N 1 2 230.311 2.862 20 30 BFEDLO C=CCCCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854500668 588789722 /nfs/dbraw/zinc/78/97/22/588789722.db2.gz YGMHBKQLVLYDNA-UHFFFAOYSA-N 1 2 249.358 2.595 20 30 BFEDLO C=C(C)CON=C1CCN(c2cccc[nH+]2)CC1 ZINC000844617830 582598572 /nfs/dbraw/zinc/59/85/72/582598572.db2.gz SEIFVXFHGLEYJK-UHFFFAOYSA-N 1 2 245.326 2.631 20 30 BFEDLO CC[N@@H+](Cc1csc(C#N)c1)C[C@@H](C)C#N ZINC000891715834 582713409 /nfs/dbraw/zinc/71/34/09/582713409.db2.gz HYGZSGHBQGKAMQ-JTQLQIEISA-N 1 2 233.340 2.601 20 30 BFEDLO CC[N@H+](Cc1csc(C#N)c1)C[C@@H](C)C#N ZINC000891715834 582713412 /nfs/dbraw/zinc/71/34/12/582713412.db2.gz HYGZSGHBQGKAMQ-JTQLQIEISA-N 1 2 233.340 2.601 20 30 BFEDLO COc1cccc2c[nH+]c(NCCCC#N)cc21 ZINC000893126711 583053295 /nfs/dbraw/zinc/05/32/95/583053295.db2.gz BJLXGAQAWAKXRK-UHFFFAOYSA-N 1 2 241.294 2.959 20 30 BFEDLO COc1cccc(/C=[NH+]/CC2CC(C)C2)c1O ZINC000856717657 588875237 /nfs/dbraw/zinc/87/52/37/588875237.db2.gz GWPTUMVMWLNNJN-OQLLNIDSSA-N 1 2 233.311 2.866 20 30 BFEDLO COc1cccc(/C=[NH+]\CC2CC(C)C2)c1O ZINC000856717656 588875270 /nfs/dbraw/zinc/87/52/70/588875270.db2.gz GWPTUMVMWLNNJN-DHDCSXOGSA-N 1 2 233.311 2.866 20 30 BFEDLO C=CC[C@H](CC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000893683248 583198517 /nfs/dbraw/zinc/19/85/17/583198517.db2.gz FRLRTDXCPXGDTE-MNOVXSKESA-N 1 2 220.316 2.902 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(SC)o1 ZINC000893924850 583249047 /nfs/dbraw/zinc/24/90/47/583249047.db2.gz TWFKJIFDZQIRKJ-UHFFFAOYSA-N 1 2 224.329 2.737 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(SC)o1 ZINC000893924850 583249050 /nfs/dbraw/zinc/24/90/50/583249050.db2.gz TWFKJIFDZQIRKJ-UHFFFAOYSA-N 1 2 224.329 2.737 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cccc2c1NCCC2 ZINC000893924331 583249313 /nfs/dbraw/zinc/24/93/13/583249313.db2.gz QOPHKZILRAMABI-UHFFFAOYSA-N 1 2 243.354 2.780 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cccc2c1NCCC2 ZINC000893924331 583249315 /nfs/dbraw/zinc/24/93/15/583249315.db2.gz QOPHKZILRAMABI-UHFFFAOYSA-N 1 2 243.354 2.780 20 30 BFEDLO CCN(Cc1[nH]cc(C(C)C)[nH+]1)C[C@H](C)C#N ZINC000893995914 583267852 /nfs/dbraw/zinc/26/78/52/583267852.db2.gz VYPOJQSXDKCMRB-LLVKDONJSA-N 1 2 234.347 2.515 20 30 BFEDLO CSc1ccc(C[N@H+](C)[C@H](C)CC#N)o1 ZINC000894002553 583272233 /nfs/dbraw/zinc/27/22/33/583272233.db2.gz RQOCVUYJUGRINW-SECBINFHSA-N 1 2 224.329 2.735 20 30 BFEDLO CSc1ccc(C[N@@H+](C)[C@H](C)CC#N)o1 ZINC000894002553 583272235 /nfs/dbraw/zinc/27/22/35/583272235.db2.gz RQOCVUYJUGRINW-SECBINFHSA-N 1 2 224.329 2.735 20 30 BFEDLO N#CCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894082471 583294334 /nfs/dbraw/zinc/29/43/34/583294334.db2.gz YNYSXWJMVDGPEV-UHFFFAOYSA-N 1 2 228.217 2.767 20 30 BFEDLO C#C[C@H](CC)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894387531 583444560 /nfs/dbraw/zinc/44/45/60/583444560.db2.gz OWOUCMHACSNDHR-SSDOTTSWSA-N 1 2 248.273 2.663 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cccc([C@H](C)O)[nH+]1 ZINC000894609931 583492346 /nfs/dbraw/zinc/49/23/46/583492346.db2.gz HJOYCOQAUYDHAJ-RWMBFGLXSA-N 1 2 244.338 2.822 20 30 BFEDLO C[C@]1(F)CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000894659562 583503883 /nfs/dbraw/zinc/50/38/83/583503883.db2.gz VQGAVPQTIMHHSH-LBPRGKRZSA-N 1 2 238.331 2.944 20 30 BFEDLO C[C@]1(F)CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000894659562 583503887 /nfs/dbraw/zinc/50/38/87/583503887.db2.gz VQGAVPQTIMHHSH-LBPRGKRZSA-N 1 2 238.331 2.944 20 30 BFEDLO C#Cc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000857833551 588911965 /nfs/dbraw/zinc/91/19/65/588911965.db2.gz YNHJUBIKUWAAOF-UHFFFAOYSA-N 1 2 249.317 2.725 20 30 BFEDLO C=C1CCC(CNc2cc(CO)cc[nH+]2)CC1 ZINC000896061062 583767439 /nfs/dbraw/zinc/76/74/39/583767439.db2.gz UVYXEMUKZVPMLI-UHFFFAOYSA-N 1 2 232.327 2.732 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)ccc1F ZINC000896501650 583807505 /nfs/dbraw/zinc/80/75/05/583807505.db2.gz GVGDTCMJJZVGIN-ZDUSSCGKSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)ccc1F ZINC000896501650 583807508 /nfs/dbraw/zinc/80/75/08/583807508.db2.gz GVGDTCMJJZVGIN-ZDUSSCGKSA-N 1 2 232.302 2.870 20 30 BFEDLO CCOc1cccc(/C=[NH+]/CC[C@@H](C)F)c1O ZINC000840708002 583850341 /nfs/dbraw/zinc/85/03/41/583850341.db2.gz ZJCNXRPCBDGCAI-KXUVPBGPSA-N 1 2 239.290 2.958 20 30 BFEDLO CC[C@@H]1C[C@H]1C/[NH+]=C/c1ccccc1O ZINC000840709413 583857344 /nfs/dbraw/zinc/85/73/44/583857344.db2.gz MTBDJBHLWIYSJL-DEUJPTSVSA-N 1 2 203.285 2.857 20 30 BFEDLO COc1cccc(/C=[NH+]/[C@@H]2C[C@H]2C(C)C)c1O ZINC000840710420 583866634 /nfs/dbraw/zinc/86/66/34/583866634.db2.gz JFZDUTPOONXGHU-QPVXSDEHSA-N 1 2 233.311 2.864 20 30 BFEDLO CC(C)O[C@H]1C[C@@H](/[NH+]=C\c2ccccc2O)C1 ZINC000840711913 583879545 /nfs/dbraw/zinc/87/95/45/583879545.db2.gz UDHAVMSSQBKWBL-WZVUHYRNSA-N 1 2 233.311 2.767 20 30 BFEDLO C=C1CCC(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)CC1 ZINC000897413690 583959970 /nfs/dbraw/zinc/95/99/70/583959970.db2.gz GDPCKVVZZHSMRS-LBPRGKRZSA-N 1 2 247.342 2.723 20 30 BFEDLO C=C1CCC(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)CC1 ZINC000897413689 583960071 /nfs/dbraw/zinc/96/00/71/583960071.db2.gz GDPCKVVZZHSMRS-GFCCVEGCSA-N 1 2 247.342 2.723 20 30 BFEDLO C[C@@H]1CCC[C@H]1/[NH+]=C/c1cccc(O)c1O ZINC000729641587 584020438 /nfs/dbraw/zinc/02/04/38/584020438.db2.gz OPPXFHZIKKVFAB-NOVDFUDFSA-N 1 2 219.284 2.705 20 30 BFEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cncs1 ZINC000901478788 584448923 /nfs/dbraw/zinc/44/89/23/584448923.db2.gz ZEBHFBCDMVLVEW-ONEGZZNKSA-N 1 2 247.323 2.817 20 30 BFEDLO Cn1c[nH+]cc1/C=C1\CCCC(C)(C)C1=O ZINC000901481311 584449495 /nfs/dbraw/zinc/44/94/95/584449495.db2.gz ANRNGZJOURVRKB-JXMROGBWSA-N 1 2 218.300 2.583 20 30 BFEDLO Cc1ncsc1C(=O)/C=C/c1[nH]c(C)c(C)[nH+]1 ZINC000901456780 584450151 /nfs/dbraw/zinc/45/01/51/584450151.db2.gz BAZYLFSFHIYXNI-SNAWJCMRSA-N 1 2 247.323 2.688 20 30 BFEDLO CCn1c[nH+]cc1/C=C/C(=O)c1scnc1C ZINC000901457869 584450304 /nfs/dbraw/zinc/45/03/04/584450304.db2.gz SYUPFYFDYKSTPH-SNAWJCMRSA-N 1 2 247.323 2.564 20 30 BFEDLO CC(C)c1c[nH]c(C=CC(=O)c2cscn2)[nH+]1 ZINC000901488410 584452394 /nfs/dbraw/zinc/45/23/94/584452394.db2.gz KHJPNUWCYFUTFZ-ARJAWSKDSA-N 1 2 247.323 2.886 20 30 BFEDLO CCc1cccnc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903031041 584718046 /nfs/dbraw/zinc/71/80/46/584718046.db2.gz AQWQCALGENZQDS-GFCCVEGCSA-N 1 2 243.354 2.988 20 30 BFEDLO CCc1noc(C)c1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903033311 584718471 /nfs/dbraw/zinc/71/84/71/584718471.db2.gz SQGQMCVLPBAKDQ-SNVBAGLBSA-N 1 2 247.342 2.890 20 30 BFEDLO CC(C)(C#N)C[NH2+][C@H]1CCCc2scnc21 ZINC000903101866 584727740 /nfs/dbraw/zinc/72/77/40/584727740.db2.gz ODYLWYQNWFAPID-VIFPVBQESA-N 1 2 235.356 2.660 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)cn1 ZINC000903106302 584728365 /nfs/dbraw/zinc/72/83/65/584728365.db2.gz NUXSZZCUHVAQJE-VIFPVBQESA-N 1 2 235.718 2.689 20 30 BFEDLO C=CCON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000835013193 584917945 /nfs/dbraw/zinc/91/79/45/584917945.db2.gz KYDPDVQLYYTLAX-UHFFFAOYSA-N 1 2 243.310 2.994 20 30 BFEDLO C#CC[NH+](CC#C)[C@H](C)c1ccc(F)c(F)c1 ZINC000839500861 585105901 /nfs/dbraw/zinc/10/59/01/585105901.db2.gz ROSLWFKPBFBXGY-LLVKDONJSA-N 1 2 233.261 2.594 20 30 BFEDLO C=CCCCO[NH+]=C(N)c1cccc(F)c1 ZINC000740872585 585107348 /nfs/dbraw/zinc/10/73/48/585107348.db2.gz VEWBEKUYOFXDOO-UHFFFAOYSA-N 1 2 222.263 2.638 20 30 BFEDLO COc1cccc(O)c1/C=[NH+]\CCC1CC1 ZINC000743044853 585133668 /nfs/dbraw/zinc/13/36/68/585133668.db2.gz RZRAEZPGTAVEOQ-ZROIWOOFSA-N 1 2 219.284 2.620 20 30 BFEDLO CC(C)[N@H+](CCC#N)C[C@@H]1CC1(Cl)Cl ZINC000747532458 585180372 /nfs/dbraw/zinc/18/03/72/585180372.db2.gz LLDSKIJUBDHIBN-VIFPVBQESA-N 1 2 235.158 2.804 20 30 BFEDLO CC(C)[N@@H+](CCC#N)C[C@@H]1CC1(Cl)Cl ZINC000747532458 585180373 /nfs/dbraw/zinc/18/03/73/585180373.db2.gz LLDSKIJUBDHIBN-VIFPVBQESA-N 1 2 235.158 2.804 20 30 BFEDLO Cc1cc(C(N)=[NH+]OCCC(C)C)ccc1F ZINC000754277514 585281841 /nfs/dbraw/zinc/28/18/41/585281841.db2.gz LMUVAVNIMBLGNO-UHFFFAOYSA-N 1 2 238.306 2.817 20 30 BFEDLO Cn1c[nH+]cc1C=NNc1ccc(Cl)cc1 ZINC000755462789 585299930 /nfs/dbraw/zinc/29/99/30/585299930.db2.gz UYUGGZRWKOYSDF-UHFFFAOYSA-N 1 2 234.690 2.520 20 30 BFEDLO Cn1c[nH+]cc1C=NNc1cccc(Cl)c1 ZINC000755472550 585300302 /nfs/dbraw/zinc/30/03/02/585300302.db2.gz XFENPOITCXSGOZ-UHFFFAOYSA-N 1 2 234.690 2.520 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NNc1ccc(F)cc1C ZINC000755803046 585307479 /nfs/dbraw/zinc/30/74/79/585307479.db2.gz XWIJEFJNJJTSQV-UHFFFAOYSA-N 1 2 232.262 2.612 20 30 BFEDLO CC1(C)CCC/C(=C/c2[nH]cc[nH+]2)C1=O ZINC000757534578 585340504 /nfs/dbraw/zinc/34/05/04/585340504.db2.gz NFPLMJPGHVSDEW-HJWRWDBZSA-N 1 2 204.273 2.572 20 30 BFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCF ZINC000759346946 585370275 /nfs/dbraw/zinc/37/02/75/585370275.db2.gz LDNJGGJTCLPCNH-ZIAGYGMSSA-N 1 2 232.302 2.728 20 30 BFEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCF ZINC000759346946 585370276 /nfs/dbraw/zinc/37/02/76/585370276.db2.gz LDNJGGJTCLPCNH-ZIAGYGMSSA-N 1 2 232.302 2.728 20 30 BFEDLO CCOc1ccc(/C=[NH+]/C2CC=CC2)c(O)c1 ZINC000759641639 585377718 /nfs/dbraw/zinc/37/77/18/585377718.db2.gz DGVUDJGYYGZERP-XNTDXEJSSA-N 1 2 231.295 2.928 20 30 BFEDLO C[C@H](C[C@H]1CCOC1)/[NH+]=C\c1ccccc1O ZINC000759643551 585377768 /nfs/dbraw/zinc/37/77/68/585377768.db2.gz MWGHZWUPLCSVGJ-OCTNGBJJSA-N 1 2 233.311 2.626 20 30 BFEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc2c(s1)CCC2 ZINC000764433537 585465375 /nfs/dbraw/zinc/46/53/75/585465375.db2.gz RXXXWMOFMSCHAK-SNAWJCMRSA-N 1 2 244.319 2.856 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cn1c2ccccc2oc1=S ZINC000766663075 585504639 /nfs/dbraw/zinc/50/46/39/585504639.db2.gz JPXZAVSEGSNHLJ-JTQLQIEISA-N 1 2 246.335 2.875 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cn1c2ccccc2oc1=S ZINC000766663075 585504640 /nfs/dbraw/zinc/50/46/40/585504640.db2.gz JPXZAVSEGSNHLJ-JTQLQIEISA-N 1 2 246.335 2.875 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cncc2ccccc21 ZINC000769330293 585553946 /nfs/dbraw/zinc/55/39/46/585553946.db2.gz DCENQCRRYNDHIT-GFCCVEGCSA-N 1 2 239.322 2.969 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cncc2ccccc21 ZINC000769330293 585553947 /nfs/dbraw/zinc/55/39/47/585553947.db2.gz DCENQCRRYNDHIT-GFCCVEGCSA-N 1 2 239.322 2.969 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1c(O)cccc1Cl ZINC000769451734 585557170 /nfs/dbraw/zinc/55/71/70/585557170.db2.gz MSAYSYZOLVJXFR-UHFFFAOYSA-N 1 2 247.725 2.504 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1c(O)cccc1Cl ZINC000769451734 585557171 /nfs/dbraw/zinc/55/71/71/585557171.db2.gz MSAYSYZOLVJXFR-UHFFFAOYSA-N 1 2 247.725 2.504 20 30 BFEDLO Cc1[nH]c[nH+]c1CN=Nc1c(C)cccc1F ZINC000769840908 585565078 /nfs/dbraw/zinc/56/50/78/585565078.db2.gz PFKLUVPMRRDHHO-UHFFFAOYSA-N 1 2 232.262 2.612 20 30 BFEDLO C=C(C)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000771653496 585598771 /nfs/dbraw/zinc/59/87/71/585598771.db2.gz GIWROEDTSZJYRD-UHFFFAOYSA-N 1 2 224.691 2.553 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cccc(Cl)c1O ZINC000775660201 585682245 /nfs/dbraw/zinc/68/22/45/585682245.db2.gz AMJXRMVXFIDETB-UHFFFAOYSA-N 1 2 223.703 2.501 20 30 BFEDLO C#CC[N@H+](CC)Cc1cccc(Cl)c1O ZINC000775660201 585682246 /nfs/dbraw/zinc/68/22/46/585682246.db2.gz AMJXRMVXFIDETB-UHFFFAOYSA-N 1 2 223.703 2.501 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cc(Cl)cc(F)c1O ZINC000775663119 585682731 /nfs/dbraw/zinc/68/27/31/585682731.db2.gz YVVXDAOYOKLKLV-UHFFFAOYSA-N 1 2 241.693 2.640 20 30 BFEDLO C#CC[N@H+](CC)Cc1cc(Cl)cc(F)c1O ZINC000775663119 585682732 /nfs/dbraw/zinc/68/27/32/585682732.db2.gz YVVXDAOYOKLKLV-UHFFFAOYSA-N 1 2 241.693 2.640 20 30 BFEDLO Cc1cc[nH+]cc1CCC=NO[C@@H]1CCCCO1 ZINC000776725557 585703502 /nfs/dbraw/zinc/70/35/02/585703502.db2.gz BDRTXCRXZNVSDV-CQSZACIVSA-N 1 2 248.326 2.852 20 30 BFEDLO Cc1cc[nH+]cc1CCC=NOCC(F)(F)F ZINC000776726122 585703508 /nfs/dbraw/zinc/70/35/08/585703508.db2.gz KPRRHRWOCHBXHN-UHFFFAOYSA-N 1 2 246.232 2.887 20 30 BFEDLO NC(=[NH+]OCCC1CC1)c1ccc(Cl)cc1 ZINC000783554665 585836750 /nfs/dbraw/zinc/83/67/50/585836750.db2.gz FPFYCRZITMQHAN-UHFFFAOYSA-N 1 2 238.718 2.777 20 30 BFEDLO C=CCC(CC=C)C(=O)OCCCn1cc[nH+]c1 ZINC000784117575 585850066 /nfs/dbraw/zinc/85/00/66/585850066.db2.gz GPXLTFMMJBFUMU-UHFFFAOYSA-N 1 2 248.326 2.585 20 30 BFEDLO COc1ccc2c(NCCC#N)cc[nH+]c2c1 ZINC000784615024 585864881 /nfs/dbraw/zinc/86/48/81/585864881.db2.gz RWXPWWLLSXHKKK-UHFFFAOYSA-N 1 2 227.267 2.569 20 30 BFEDLO CC[N@@H+](Cc1ccc(F)nc1C)C[C@H](C)C#N ZINC000787113019 585901421 /nfs/dbraw/zinc/90/14/21/585901421.db2.gz LDVNREMPOLLFFO-SNVBAGLBSA-N 1 2 235.306 2.511 20 30 BFEDLO CC[N@H+](Cc1ccc(F)nc1C)C[C@H](C)C#N ZINC000787113019 585901422 /nfs/dbraw/zinc/90/14/22/585901422.db2.gz LDVNREMPOLLFFO-SNVBAGLBSA-N 1 2 235.306 2.511 20 30 BFEDLO C#CC[N@H+](Cc1sccc1Cl)C1CC1 ZINC000787274624 585904477 /nfs/dbraw/zinc/90/44/77/585904477.db2.gz KAZQYWSJHQILIC-UHFFFAOYSA-N 1 2 225.744 2.999 20 30 BFEDLO C#CC[N@@H+](Cc1sccc1Cl)C1CC1 ZINC000787274624 585904476 /nfs/dbraw/zinc/90/44/76/585904476.db2.gz KAZQYWSJHQILIC-UHFFFAOYSA-N 1 2 225.744 2.999 20 30 BFEDLO CC(N=Nc1ccc(F)cc1F)c1[nH]cc[nH+]1 ZINC000790136727 585958491 /nfs/dbraw/zinc/95/84/91/585958491.db2.gz VLUMQQMUEUXDMT-UHFFFAOYSA-N 1 2 236.225 2.524 20 30 BFEDLO CC(N=Nc1cccc(F)c1F)c1[nH]cc[nH+]1 ZINC000790168326 585959272 /nfs/dbraw/zinc/95/92/72/585959272.db2.gz RSWDBTPHLQIAMX-UHFFFAOYSA-N 1 2 236.225 2.524 20 30 BFEDLO CC[C@@H](C)N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000790183933 585960012 /nfs/dbraw/zinc/96/00/12/585960012.db2.gz PNMJREMVHDBIGX-GFCCVEGCSA-N 1 2 249.358 2.992 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1cc(Cl)cs1 ZINC000790301169 585963173 /nfs/dbraw/zinc/96/31/73/585963173.db2.gz DLHIQBAGJZGHOD-UHFFFAOYSA-N 1 2 240.719 2.581 20 30 BFEDLO CC(=NNc1[nH+]ccn1C)c1cccc(Cl)c1 ZINC000790306225 585963225 /nfs/dbraw/zinc/96/32/25/585963225.db2.gz SSSFUFVMQKEEJI-UHFFFAOYSA-N 1 2 248.717 2.910 20 30 BFEDLO CC(=NNc1[nH+]ccn1C)c1ccccc1Cl ZINC000790305680 585963336 /nfs/dbraw/zinc/96/33/36/585963336.db2.gz MJCJINOBROKYES-UHFFFAOYSA-N 1 2 248.717 2.910 20 30 BFEDLO C=CCCC/[NH+]=C\c1c(O)cccc1OC ZINC000790598828 585966758 /nfs/dbraw/zinc/96/67/58/585966758.db2.gz PESQBUHMOUJGHY-UVTDQMKNSA-N 1 2 219.284 2.786 20 30 BFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)CC1(F)CC1 ZINC000792797267 586005436 /nfs/dbraw/zinc/00/54/36/586005436.db2.gz VTYOKKHJMQDQMM-UHFFFAOYSA-N 1 2 235.277 2.763 20 30 BFEDLO C#CC[N@H+](Cc1ccc(F)cc1)CC1(F)CC1 ZINC000792797267 586005437 /nfs/dbraw/zinc/00/54/37/586005437.db2.gz VTYOKKHJMQDQMM-UHFFFAOYSA-N 1 2 235.277 2.763 20 30 BFEDLO C[C@@H](NN=Cc1cccc2[nH+]ccn21)C(C)(C)C ZINC000793116331 586010930 /nfs/dbraw/zinc/01/09/30/586010930.db2.gz RWYCKNAJTKJMRJ-LLVKDONJSA-N 1 2 244.342 2.692 20 30 BFEDLO C[C@@H]1CSC[C@H]1/[NH+]=C\c1ccccc1O ZINC000794677803 586046640 /nfs/dbraw/zinc/04/66/40/586046640.db2.gz YNZFTBISMRGEJI-PXSKISSOSA-N 1 2 221.325 2.563 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859282284 589027754 /nfs/dbraw/zinc/02/77/54/589027754.db2.gz AJZYHBVNOIJIHU-LLVKDONJSA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859282284 589027755 /nfs/dbraw/zinc/02/77/55/589027755.db2.gz AJZYHBVNOIJIHU-LLVKDONJSA-N 1 2 239.750 2.614 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)c1ccccc1C ZINC000795196774 586071318 /nfs/dbraw/zinc/07/13/18/586071318.db2.gz GGFMUZSWFHLSQX-UHFFFAOYSA-N 1 2 218.300 2.808 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000795214569 586072153 /nfs/dbraw/zinc/07/21/53/586072153.db2.gz LKSDDKZTNLNYPA-NSHDSACASA-N 1 2 228.336 2.512 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000795214567 586072228 /nfs/dbraw/zinc/07/22/28/586072228.db2.gz LKSDDKZTNLNYPA-LLVKDONJSA-N 1 2 228.336 2.512 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)nc(Cl)c1 ZINC000797591185 586129383 /nfs/dbraw/zinc/12/93/83/586129383.db2.gz FQZWRSYBDMGKLG-UHFFFAOYSA-N 1 2 246.741 2.502 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1cc(C)nc(Cl)c1 ZINC000797591185 586129384 /nfs/dbraw/zinc/12/93/84/586129384.db2.gz FQZWRSYBDMGKLG-UHFFFAOYSA-N 1 2 246.741 2.502 20 30 BFEDLO Cc1cc(C)cc(C(=O)/C=C\c2cn(C)c[nH+]2)c1 ZINC000800794093 586228395 /nfs/dbraw/zinc/22/83/95/586228395.db2.gz VXDSSJMMPPKPNY-PLNGDYQASA-N 1 2 240.306 2.933 20 30 BFEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccccc2Cl)c1 ZINC000800792151 586228443 /nfs/dbraw/zinc/22/84/43/586228443.db2.gz MVRUZIMVEHBWHD-VOTSOKGWSA-N 1 2 246.697 2.970 20 30 BFEDLO Cc1ccc(F)c(C(=O)/C=C/c2cn(C)c[nH+]2)c1 ZINC000800794338 586229028 /nfs/dbraw/zinc/22/90/28/586229028.db2.gz CNDLGOROOMWKOR-GQCTYLIASA-N 1 2 244.269 2.764 20 30 BFEDLO Cn1c[nH+]c(/C=C/C(=O)c2cc(F)ccc2F)c1 ZINC000800793450 586229356 /nfs/dbraw/zinc/22/93/56/586229356.db2.gz RCMQDSWHTAMYLL-HWKANZROSA-N 1 2 248.232 2.594 20 30 BFEDLO C=C(Br)C[NH+](C1CC1)C1CC1 ZINC000859622518 589049464 /nfs/dbraw/zinc/04/94/64/589049464.db2.gz LOAPRXRZRDPSRA-UHFFFAOYSA-N 1 2 216.122 2.522 20 30 BFEDLO C[C@H]1c2ccccc2C(=O)/C1=C/c1cn(C)c[nH+]1 ZINC000809156589 586499985 /nfs/dbraw/zinc/49/99/85/586499985.db2.gz MOLYRDSAYBLBSW-UQDQQJHMSA-N 1 2 238.290 2.804 20 30 BFEDLO Cc1ccc2[nH+]cc(C=NOCCC3CC3)n2c1 ZINC000814245347 586620266 /nfs/dbraw/zinc/62/02/66/586620266.db2.gz PJOZUPPXUQQSGN-UHFFFAOYSA-N 1 2 243.310 2.793 20 30 BFEDLO CC(=[NH+]Nc1ccccn1)c1cc(N)ccc1F ZINC000814731867 586631045 /nfs/dbraw/zinc/63/10/45/586631045.db2.gz MRPNGDFUBHOAEJ-UHFFFAOYSA-N 1 2 244.273 2.639 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1cccc(C2CC2)c1 ZINC000817327433 586794546 /nfs/dbraw/zinc/79/45/46/586794546.db2.gz JGMTXLGUKRSKHQ-UHFFFAOYSA-N 1 2 240.310 2.744 20 30 BFEDLO CC(C)c1ncc[nH+]c1NNC=CC(F)(F)F ZINC000817327317 586794708 /nfs/dbraw/zinc/79/47/08/586794708.db2.gz FLORTKNLODYVQE-UHFFFAOYSA-N 1 2 246.236 2.950 20 30 BFEDLO c1c[nH+]c2c(c1)CCC(=NOCC1CC1)CC2 ZINC000817329112 586795502 /nfs/dbraw/zinc/79/55/02/586795502.db2.gz HCECGTLSEJPQHN-UHFFFAOYSA-N 1 2 230.311 2.743 20 30 BFEDLO C=CCON=C1CCc2ccc[nH+]c2CC1 ZINC000817331136 586795924 /nfs/dbraw/zinc/79/59/24/586795924.db2.gz WNCOJYJIDDEIBR-UHFFFAOYSA-N 1 2 216.284 2.519 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NN[C@@H](C)C(C)(C)C ZINC000819813706 586997865 /nfs/dbraw/zinc/99/78/65/586997865.db2.gz RRBFXFKWJBFSCV-NSHDSACASA-N 1 2 236.363 2.822 20 30 BFEDLO C#CC[N@@H+](CC)Cc1c(F)cc(C)cc1F ZINC000822443023 587168553 /nfs/dbraw/zinc/16/85/53/587168553.db2.gz OFCWVELVYOYPSZ-UHFFFAOYSA-N 1 2 223.266 2.728 20 30 BFEDLO C#CC[N@H+](CC)Cc1c(F)cc(C)cc1F ZINC000822443023 587168555 /nfs/dbraw/zinc/16/85/55/587168555.db2.gz OFCWVELVYOYPSZ-UHFFFAOYSA-N 1 2 223.266 2.728 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1F ZINC000825710643 587333490 /nfs/dbraw/zinc/33/34/90/587333490.db2.gz WHXHPQHIYGVZGQ-MRVPVSSYSA-N 1 2 227.229 2.557 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1F ZINC000825710643 587333492 /nfs/dbraw/zinc/33/34/92/587333492.db2.gz WHXHPQHIYGVZGQ-MRVPVSSYSA-N 1 2 227.229 2.557 20 30 BFEDLO C#CC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000826578781 587355566 /nfs/dbraw/zinc/35/55/66/587355566.db2.gz MEJKVHAKKXQETQ-LBPRGKRZSA-N 1 2 241.338 2.594 20 30 BFEDLO CCCCCCCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000826981684 587367085 /nfs/dbraw/zinc/36/70/85/587367085.db2.gz GDSOMYDODNQETL-CMDGGOBGSA-N 1 2 249.358 2.520 20 30 BFEDLO CC(C)CC(=O)CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000828094392 587419456 /nfs/dbraw/zinc/41/94/56/587419456.db2.gz QFXLZUUYEMFGRF-GFCCVEGCSA-N 1 2 236.359 2.616 20 30 BFEDLO CC(C)CC(=O)CC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000828094392 587419457 /nfs/dbraw/zinc/41/94/57/587419457.db2.gz QFXLZUUYEMFGRF-GFCCVEGCSA-N 1 2 236.359 2.616 20 30 BFEDLO C#CCC[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000830258909 587544640 /nfs/dbraw/zinc/54/46/40/587544640.db2.gz NZDYUQBCEMNVHK-DOMZBBRYSA-N 1 2 247.313 2.611 20 30 BFEDLO C#CCC[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000830258909 587544642 /nfs/dbraw/zinc/54/46/42/587544642.db2.gz NZDYUQBCEMNVHK-DOMZBBRYSA-N 1 2 247.313 2.611 20 30 BFEDLO C#Cc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2C)c1 ZINC000834902970 587769945 /nfs/dbraw/zinc/76/99/45/587769945.db2.gz MOUTYYTUGLKREY-NSHDSACASA-N 1 2 239.322 2.550 20 30 BFEDLO C=CCO[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000835015920 587778528 /nfs/dbraw/zinc/77/85/28/587778528.db2.gz OOKWAMSLJOMZEF-UHFFFAOYSA-N 1 2 248.301 2.962 20 30 BFEDLO CC(C)[C@@H]1C[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000840708277 587916972 /nfs/dbraw/zinc/91/69/72/587916972.db2.gz FAQUJSMHXOHSOF-WVVQMSQFSA-N 1 2 233.311 2.809 20 30 BFEDLO Oc1ccccc1/C=[NH+]\[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000840709152 587917485 /nfs/dbraw/zinc/91/74/85/587917485.db2.gz BGPCORKGWCRGOB-HVXYBNCOSA-N 1 2 215.296 3.000 20 30 BFEDLO C=CCCCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000842033448 587991586 /nfs/dbraw/zinc/99/15/86/587991586.db2.gz QHTPSTUKBSRTEV-GFCCVEGCSA-N 1 2 242.363 2.902 20 30 BFEDLO CCCON=CCCc1c[nH+]ccc1C ZINC000842555304 588042003 /nfs/dbraw/zinc/04/20/03/588042003.db2.gz VXNJPMUSGPMRJA-UHFFFAOYSA-N 1 2 206.289 2.735 20 30 BFEDLO COCC1(CC/[NH+]=C/c2ccccc2O)CC1 ZINC000843266405 588096594 /nfs/dbraw/zinc/09/65/94/588096594.db2.gz LOMGKDACOQNJJU-XNTDXEJSSA-N 1 2 233.311 2.628 20 30 BFEDLO C=C(C)CON=CCCc1c[nH+]ccc1C ZINC000844618212 588208599 /nfs/dbraw/zinc/20/85/99/588208599.db2.gz LZEVXDMTMSGOQK-UHFFFAOYSA-N 1 2 218.300 2.901 20 30 BFEDLO C=C[C@H](C)ON=C1CCc2ccc[nH+]c2CC1 ZINC000844620958 588209597 /nfs/dbraw/zinc/20/95/97/588209597.db2.gz SSRVJXWUBXZULF-NSHDSACASA-N 1 2 230.311 2.908 20 30 BFEDLO C=C[C@H](C)O[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000844620929 588209602 /nfs/dbraw/zinc/20/96/02/588209602.db2.gz RYSLZQMTHVNOSF-ZETCQYMHSA-N 1 2 240.253 2.862 20 30 BFEDLO N#CC1(C[NH2+]Cc2cccnc2Cl)CCCC1 ZINC000846010642 588253537 /nfs/dbraw/zinc/25/35/37/588253537.db2.gz LTDQPAVTTXTIEQ-UHFFFAOYSA-N 1 2 249.745 2.909 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000847025906 588303538 /nfs/dbraw/zinc/30/35/38/588303538.db2.gz XHEYSOIWKVTYNH-NWDGAFQWSA-N 1 2 247.342 2.599 20 30 BFEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000847025906 588303539 /nfs/dbraw/zinc/30/35/39/588303539.db2.gz XHEYSOIWKVTYNH-NWDGAFQWSA-N 1 2 247.342 2.599 20 30 BFEDLO C#CCCC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000847869449 588340072 /nfs/dbraw/zinc/34/00/72/588340072.db2.gz ZBUFTYJFHHELLI-QWHCGFSZSA-N 1 2 248.326 2.569 20 30 BFEDLO C=CC[C@@H]1CCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848416403 588381894 /nfs/dbraw/zinc/38/18/94/588381894.db2.gz KCFZEQKREHBUFG-CYBMUJFWSA-N 1 2 246.358 2.595 20 30 BFEDLO CC[C@H]1CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848418080 588382189 /nfs/dbraw/zinc/38/21/89/588382189.db2.gz JIPREWCKYPTCSU-ZDUSSCGKSA-N 1 2 248.374 2.819 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/CCC(C)(C)F)c1 ZINC000849172139 588460064 /nfs/dbraw/zinc/46/00/64/588460064.db2.gz MVEMLMRWESYGES-OQLLNIDSSA-N 1 2 239.290 2.958 20 30 BFEDLO C=CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850501708 588552492 /nfs/dbraw/zinc/55/24/92/588552492.db2.gz FXWIWEVHEHESOL-QMMMGPOBSA-N 1 2 227.254 2.897 20 30 BFEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000852099324 588662866 /nfs/dbraw/zinc/66/28/66/588662866.db2.gz JVNJFMFQJZIYRG-QMTHXVAHSA-N 1 2 249.358 2.820 20 30 BFEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C2CCCC2)no1 ZINC000852100200 588662922 /nfs/dbraw/zinc/66/29/22/588662922.db2.gz FXCTZMYOYZBSTN-CQSZACIVSA-N 1 2 247.342 2.619 20 30 BFEDLO C#CC[C@@H]1CCC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000852206479 588671972 /nfs/dbraw/zinc/67/19/72/588671972.db2.gz KSHCLOOMGHLSTR-ZBFHGGJFSA-N 1 2 238.334 2.987 20 30 BFEDLO C#CC[C@@H]1CCC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000852206479 588671973 /nfs/dbraw/zinc/67/19/73/588671973.db2.gz KSHCLOOMGHLSTR-ZBFHGGJFSA-N 1 2 238.334 2.987 20 30 BFEDLO C#CC[C@H]1CCC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000852206477 588672002 /nfs/dbraw/zinc/67/20/02/588672002.db2.gz KSHCLOOMGHLSTR-GOEBONIOSA-N 1 2 238.334 2.987 20 30 BFEDLO C#CC[C@H]1CCC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000852206477 588672003 /nfs/dbraw/zinc/67/20/03/588672003.db2.gz KSHCLOOMGHLSTR-GOEBONIOSA-N 1 2 238.334 2.987 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000852319572 588677755 /nfs/dbraw/zinc/67/77/55/588677755.db2.gz PGKNCKKJCIMOIL-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000852319572 588677756 /nfs/dbraw/zinc/67/77/56/588677756.db2.gz PGKNCKKJCIMOIL-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO C=CC[N@H+](CC=C(Cl)Cl)[C@H](C)COC ZINC000852356539 588679490 /nfs/dbraw/zinc/67/94/90/588679490.db2.gz HROWDAJMSMDITL-SECBINFHSA-N 1 2 238.158 2.828 20 30 BFEDLO C=CC[N@@H+](CC=C(Cl)Cl)[C@H](C)COC ZINC000852356539 588679491 /nfs/dbraw/zinc/67/94/91/588679491.db2.gz HROWDAJMSMDITL-SECBINFHSA-N 1 2 238.158 2.828 20 30 BFEDLO C=CC[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000860899026 589127992 /nfs/dbraw/zinc/12/79/92/589127992.db2.gz RFQUTQJRENQSNQ-OCCSQVGLSA-N 1 2 247.338 2.797 20 30 BFEDLO Cc1c(F)nccc1C[N@@H+](C)CC(C)(C)C#N ZINC000862377472 589206070 /nfs/dbraw/zinc/20/60/70/589206070.db2.gz RDPWWDMAJREBJV-UHFFFAOYSA-N 1 2 235.306 2.511 20 30 BFEDLO Cc1c(F)nccc1C[N@H+](C)CC(C)(C)C#N ZINC000862377472 589206071 /nfs/dbraw/zinc/20/60/71/589206071.db2.gz RDPWWDMAJREBJV-UHFFFAOYSA-N 1 2 235.306 2.511 20 30 BFEDLO CC[C@@H]1CCCC[C@@H]1C[N@@H+](CC#N)CCOC ZINC000862388812 589207205 /nfs/dbraw/zinc/20/72/05/589207205.db2.gz KMAZKMKBOJWLGE-ZIAGYGMSSA-N 1 2 238.375 2.675 20 30 BFEDLO CC[C@@H]1CCCC[C@@H]1C[N@H+](CC#N)CCOC ZINC000862388812 589207206 /nfs/dbraw/zinc/20/72/06/589207206.db2.gz KMAZKMKBOJWLGE-ZIAGYGMSSA-N 1 2 238.375 2.675 20 30 BFEDLO CCCO[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863123181 589260915 /nfs/dbraw/zinc/26/09/15/589260915.db2.gz DEORSDDXOIJNAX-UHFFFAOYSA-N 1 2 242.269 2.791 20 30 BFEDLO C[C@H]1C[C@H]1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000863455013 589288611 /nfs/dbraw/zinc/28/86/11/589288611.db2.gz SMWGERCZWYMCNI-WPRPVWTQSA-N 1 2 238.718 2.633 20 30 BFEDLO C[C@@H](C#N)CN(C)c1cc[nH+]cc1C(F)(F)F ZINC000865441850 589435966 /nfs/dbraw/zinc/43/59/66/589435966.db2.gz YIQKYOKWTIPWBZ-QMMMGPOBSA-N 1 2 243.232 2.696 20 30 BFEDLO CCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866211220 589480602 /nfs/dbraw/zinc/48/06/02/589480602.db2.gz CFSKIUNIAFMBBS-SNVBAGLBSA-N 1 2 218.300 2.715 20 30 BFEDLO C[C@H]([NH2+]C1CCCC1)c1cccc(C#N)c1O ZINC000866213484 589480908 /nfs/dbraw/zinc/48/09/08/589480908.db2.gz WIHHDMYFYXCTFS-JTQLQIEISA-N 1 2 230.311 2.857 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866218737 589481436 /nfs/dbraw/zinc/48/14/36/589481436.db2.gz WZBUDAMJXYAQQS-ZJUUUORDSA-N 1 2 230.311 2.713 20 30 BFEDLO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(C#N)c1O ZINC000866295513 589484481 /nfs/dbraw/zinc/48/44/81/589484481.db2.gz DVAJGXWADYNMMY-CMPLNLGQSA-N 1 2 244.338 2.961 20 30 BFEDLO C[C@@H](F)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866362237 589487981 /nfs/dbraw/zinc/48/79/81/589487981.db2.gz CLJUALAZKDURHX-ZJUUUORDSA-N 1 2 236.290 2.663 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(F)F)c1cccc(C#N)c1O ZINC000866364990 589488179 /nfs/dbraw/zinc/48/81/79/589488179.db2.gz UIQOUWRGEVMKHS-MRVPVSSYSA-N 1 2 240.253 2.570 20 30 BFEDLO CC/C=C\C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866364303 589488330 /nfs/dbraw/zinc/48/83/30/589488330.db2.gz QVMNXUBNJZSACQ-DOGVGXBMSA-N 1 2 230.311 2.881 20 30 BFEDLO C=C(CC)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866369377 589488526 /nfs/dbraw/zinc/48/85/26/589488526.db2.gz LANHMNHELMGRPM-NSHDSACASA-N 1 2 230.311 2.881 20 30 BFEDLO C[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc(C#N)c1O ZINC000866388186 589489436 /nfs/dbraw/zinc/48/94/36/589489436.db2.gz CWMJRORYTFKCOC-ZYHUDNBSSA-N 1 2 228.295 2.633 20 30 BFEDLO CC1(C)CO[C@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000871597595 589771660 /nfs/dbraw/zinc/77/16/60/589771660.db2.gz SLMAIXHFBIHOES-AAWHYMEISA-N 1 2 233.311 2.626 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872046306 589860707 /nfs/dbraw/zinc/86/07/07/589860707.db2.gz WIFADTAFWURZLR-MRVPVSSYSA-N 1 2 229.682 2.934 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1c(F)cccc1F ZINC000124497599 590033902 /nfs/dbraw/zinc/03/39/02/590033902.db2.gz JHZXYGOAEWSHKG-UHFFFAOYSA-N 1 2 217.646 2.807 20 30 BFEDLO Cc1ccc(NC(=O)C2(C#N)CC(C)C2)c(C)[nH+]1 ZINC000125830243 590191761 /nfs/dbraw/zinc/19/17/61/590191761.db2.gz AEPRHZYDHJWVNU-UHFFFAOYSA-N 1 2 243.310 2.577 20 30 BFEDLO C=CC[C@H]([NH2+]Cc1ncc(C)o1)c1ccncc1 ZINC000877046936 590274441 /nfs/dbraw/zinc/27/44/41/590274441.db2.gz VBCHDQOLXNLPPJ-ZDUSSCGKSA-N 1 2 243.310 2.785 20 30 BFEDLO C=CC[N@@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877328429 590318226 /nfs/dbraw/zinc/31/82/26/590318226.db2.gz HESXXFZEWKGWKS-UHFFFAOYSA-N 1 2 239.265 2.821 20 30 BFEDLO C=CC[N@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877328429 590318228 /nfs/dbraw/zinc/31/82/28/590318228.db2.gz HESXXFZEWKGWKS-UHFFFAOYSA-N 1 2 239.265 2.821 20 30 BFEDLO C=C(Cl)C[C@H]([NH2+]C1CCCC1)C(=O)OCC ZINC000877670971 590389267 /nfs/dbraw/zinc/38/92/67/590389267.db2.gz CYQTWEHAIXVDSN-NSHDSACASA-N 1 2 245.750 2.593 20 30 BFEDLO C=C1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878087552 590489534 /nfs/dbraw/zinc/48/95/34/590489534.db2.gz QQHHEGOGSIKRFM-UHFFFAOYSA-N 1 2 232.327 2.705 20 30 BFEDLO C#CC[N@@H+](Cc1cc(C(F)(F)F)co1)C1CC1 ZINC000878433777 590567252 /nfs/dbraw/zinc/56/72/52/590567252.db2.gz AYWPEPMRYLQRHT-UHFFFAOYSA-N 1 2 243.228 2.896 20 30 BFEDLO C#CC[N@H+](Cc1cc(C(F)(F)F)co1)C1CC1 ZINC000878433777 590567255 /nfs/dbraw/zinc/56/72/55/590567255.db2.gz AYWPEPMRYLQRHT-UHFFFAOYSA-N 1 2 243.228 2.896 20 30 BFEDLO CC1(C#N)C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC000878546174 590589929 /nfs/dbraw/zinc/58/99/29/590589929.db2.gz SMHQTGPSGGGKKM-SNVBAGLBSA-N 1 2 228.286 2.657 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)nc(Cl)c1 ZINC000878817171 590626873 /nfs/dbraw/zinc/62/68/73/590626873.db2.gz BPVYPSWEVKVADC-ZETCQYMHSA-N 1 2 244.125 2.780 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(N(C)C)c(F)c1 ZINC000127616089 590724056 /nfs/dbraw/zinc/72/40/56/590724056.db2.gz UJWRXXUFMZXUQW-UHFFFAOYSA-N 1 2 249.333 2.627 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(N(C)C)c(F)c1 ZINC000127616089 590724057 /nfs/dbraw/zinc/72/40/57/590724057.db2.gz UJWRXXUFMZXUQW-UHFFFAOYSA-N 1 2 249.333 2.627 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(C)oc1C ZINC000127650412 590738081 /nfs/dbraw/zinc/73/80/81/590738081.db2.gz GYMZNDSFDHCVCL-UHFFFAOYSA-N 1 2 206.289 2.632 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(C)oc1C ZINC000127650412 590738083 /nfs/dbraw/zinc/73/80/83/590738083.db2.gz GYMZNDSFDHCVCL-UHFFFAOYSA-N 1 2 206.289 2.632 20 30 BFEDLO C=CC(C)(C)CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000880191822 590955111 /nfs/dbraw/zinc/95/51/11/590955111.db2.gz QXYGFPLUQJCBMF-LLVKDONJSA-N 1 2 249.358 2.683 20 30 BFEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000880227617 590962084 /nfs/dbraw/zinc/96/20/84/590962084.db2.gz RYMMGEDDQFEHOO-GHMZBOCLSA-N 1 2 247.342 2.607 20 30 BFEDLO C=CCCC[C@H]([NH2+]CC(=O)OC)c1ccccc1 ZINC000880388217 591018373 /nfs/dbraw/zinc/01/83/73/591018373.db2.gz KDHKSTIRHKWWSY-AWEZNQCLSA-N 1 2 247.338 2.847 20 30 BFEDLO C=CC[C@@H]1CCCN(c2nc[nH+]c(C)c2C)C1 ZINC000882602579 591397457 /nfs/dbraw/zinc/39/74/57/591397457.db2.gz WTFLTVRNTVRCEC-CYBMUJFWSA-N 1 2 231.343 2.886 20 30 BFEDLO C=C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000134929035 591961832 /nfs/dbraw/zinc/96/18/32/591961832.db2.gz OBRXCJAGCKXPKF-YUMQZZPRSA-N 1 2 227.254 2.896 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1ccc(Cl)o1 ZINC000135835777 592059867 /nfs/dbraw/zinc/05/98/67/592059867.db2.gz AOZHOFSMLUCXNZ-UHFFFAOYSA-N 1 2 206.072 2.775 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@H]1CCC2(CCC2)CO1 ZINC000886216236 592178910 /nfs/dbraw/zinc/17/89/10/592178910.db2.gz ZOTZLMQDLLMPLD-CQSZACIVSA-N 1 2 248.370 2.737 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCC2(CCC2)CO1 ZINC000886216236 592178912 /nfs/dbraw/zinc/17/89/12/592178912.db2.gz ZOTZLMQDLLMPLD-CQSZACIVSA-N 1 2 248.370 2.737 20 30 BFEDLO CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H](C)C#N ZINC000886284036 592199937 /nfs/dbraw/zinc/19/99/37/592199937.db2.gz MDYMHAFYDLMINM-RTXFEEFZSA-N 1 2 206.333 2.657 20 30 BFEDLO CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H](C)C#N ZINC000886284036 592199938 /nfs/dbraw/zinc/19/99/38/592199938.db2.gz MDYMHAFYDLMINM-RTXFEEFZSA-N 1 2 206.333 2.657 20 30 BFEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ncco1 ZINC000886539238 592251935 /nfs/dbraw/zinc/25/19/35/592251935.db2.gz WWROTMQVNXOBCZ-QWRGUYRKSA-N 1 2 241.294 2.958 20 30 BFEDLO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ncco1 ZINC000886539098 592251981 /nfs/dbraw/zinc/25/19/81/592251981.db2.gz TUUYVGUVFXUTIB-NSHDSACASA-N 1 2 241.294 2.591 20 30 BFEDLO Cc1csc(C[C@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000886698731 592305136 /nfs/dbraw/zinc/30/51/36/592305136.db2.gz MEAJSGGPYPWYAL-GFCCVEGCSA-N 1 2 249.383 2.620 20 30 BFEDLO Cc1csc(C[C@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000886698731 592305141 /nfs/dbraw/zinc/30/51/41/592305141.db2.gz MEAJSGGPYPWYAL-GFCCVEGCSA-N 1 2 249.383 2.620 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/CC(C)(C)C)c1 ZINC000066887744 634514994 /nfs/dbraw/zinc/51/49/94/634514994.db2.gz XZVLYPOVBKGALK-RIYZIHGNSA-N 1 2 221.300 2.866 20 30 BFEDLO COCc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932153829 635603491 /nfs/dbraw/zinc/60/34/91/635603491.db2.gz BVJWTOFVCCZLFJ-HNNXBMFYSA-N 1 2 244.338 2.569 20 30 BFEDLO COCc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932153829 635603493 /nfs/dbraw/zinc/60/34/93/635603493.db2.gz BVJWTOFVCCZLFJ-HNNXBMFYSA-N 1 2 244.338 2.569 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1ccc(O)c(F)c1 ZINC000891693875 631449739 /nfs/dbraw/zinc/44/97/39/631449739.db2.gz HJFVROTUYIXJAJ-UHFFFAOYSA-N 1 2 236.290 2.655 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(O)c(F)c1 ZINC000891693875 631449746 /nfs/dbraw/zinc/44/97/46/631449746.db2.gz HJFVROTUYIXJAJ-UHFFFAOYSA-N 1 2 236.290 2.655 20 30 BFEDLO CC[C@@H](C)CO[NH+]=C(C)c1csc(N)n1 ZINC000308849355 631696076 /nfs/dbraw/zinc/69/60/76/631696076.db2.gz QQWZYWBOMVHIEV-SSDOTTSWSA-N 1 2 227.333 2.512 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CCCOCC1CC1 ZINC000255846283 632754412 /nfs/dbraw/zinc/75/44/12/632754412.db2.gz QEGUDGVVUQDHPE-GDNBJRDFSA-N 1 2 233.311 2.628 20 30 BFEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccnc1 ZINC000255871395 632836444 /nfs/dbraw/zinc/83/64/44/632836444.db2.gz FIIXIIAJPQPOGV-SREVYHEPSA-N 1 2 249.273 2.625 20 30 BFEDLO CC(=[NH+]NCC(F)F)c1ccc(N)cc1Cl ZINC000309263400 632859642 /nfs/dbraw/zinc/85/96/42/632859642.db2.gz ISMLDHUINJPDQS-UHFFFAOYSA-N 1 2 247.676 2.501 20 30 BFEDLO C=CC[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000894522488 635906473 /nfs/dbraw/zinc/90/64/73/635906473.db2.gz INXBVYHVXKEWTI-GFCCVEGCSA-N 1 2 242.326 2.522 20 30 BFEDLO CC[C@H](C)CON=Cc1cccc2[nH+]ccn21 ZINC000793161095 636022276 /nfs/dbraw/zinc/02/22/76/636022276.db2.gz ZYFKNGBUJQAWTN-NSHDSACASA-N 1 2 231.299 2.731 20 30 BFEDLO C=C(CC)C[NH2+][C@H](C(=O)OCC)C(C)(C)C ZINC000309682553 633986680 /nfs/dbraw/zinc/98/66/80/633986680.db2.gz ZVVHSFFTUKROKV-LLVKDONJSA-N 1 2 227.348 2.520 20 30 BFEDLO C=C[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000162697811 634283361 /nfs/dbraw/zinc/28/33/61/634283361.db2.gz ZMUNPXGKVNKQPN-QMMMGPOBSA-N 1 2 211.692 2.710 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1cccc(Cl)c1O ZINC000162978528 635277137 /nfs/dbraw/zinc/27/71/37/635277137.db2.gz QBFROLSUFJCOPB-UHFFFAOYSA-N 1 2 232.110 2.888 20 30 BFEDLO C[N@H+](Cc1ccsc1)[C@@H]1CCC[C@@H]1C#N ZINC000035719199 639866599 /nfs/dbraw/zinc/86/65/99/639866599.db2.gz JRYHEMHLAGVZDJ-VXGBXAGGSA-N 1 2 220.341 2.872 20 30 BFEDLO C[N@@H+](Cc1ccsc1)[C@@H]1CCC[C@@H]1C#N ZINC000035719199 639866603 /nfs/dbraw/zinc/86/66/03/639866603.db2.gz JRYHEMHLAGVZDJ-VXGBXAGGSA-N 1 2 220.341 2.872 20 30 BFEDLO N#CC1CCC(C[N@H+]2CC[C@H]2C(F)F)CC1 ZINC000931424509 640193551 /nfs/dbraw/zinc/19/35/51/640193551.db2.gz HTSIZDOMXKHWAD-ILDUYXDCSA-N 1 2 228.286 2.656 20 30 BFEDLO N#CC1CCC(C[N@@H+]2CC[C@H]2C(F)F)CC1 ZINC000931424509 640193553 /nfs/dbraw/zinc/19/35/53/640193553.db2.gz HTSIZDOMXKHWAD-ILDUYXDCSA-N 1 2 228.286 2.656 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000932149306 640441376 /nfs/dbraw/zinc/44/13/76/640441376.db2.gz ZPXUDRXJDHNVRP-LBPRGKRZSA-N 1 2 232.302 2.604 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000932149306 640441380 /nfs/dbraw/zinc/44/13/80/640441380.db2.gz ZPXUDRXJDHNVRP-LBPRGKRZSA-N 1 2 232.302 2.604 20 30 BFEDLO C#CC[N@H+](Cc1coc(C(C)(C)C)n1)C(C)C ZINC000932384076 640501292 /nfs/dbraw/zinc/50/12/92/640501292.db2.gz MVEZCQLBCGEATP-UHFFFAOYSA-N 1 2 234.343 2.816 20 30 BFEDLO C#CC[N@@H+](Cc1coc(C(C)(C)C)n1)C(C)C ZINC000932384076 640501296 /nfs/dbraw/zinc/50/12/96/640501296.db2.gz MVEZCQLBCGEATP-UHFFFAOYSA-N 1 2 234.343 2.816 20 30 BFEDLO C#CC[N@H+](Cc1ccc(F)cc1C#N)C(C)C ZINC000932392236 640520208 /nfs/dbraw/zinc/52/02/08/640520208.db2.gz DMPBPNKBWPJBSB-UHFFFAOYSA-N 1 2 230.286 2.541 20 30 BFEDLO C#CC[N@@H+](Cc1ccc(F)cc1C#N)C(C)C ZINC000932392236 640520213 /nfs/dbraw/zinc/52/02/13/640520213.db2.gz DMPBPNKBWPJBSB-UHFFFAOYSA-N 1 2 230.286 2.541 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1cncc(F)c1 ZINC000230954864 641121224 /nfs/dbraw/zinc/12/12/24/641121224.db2.gz VHQQLKZAHMQIJZ-UHFFFAOYSA-N 1 2 235.306 2.592 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1cncc(F)c1 ZINC000230954864 641121231 /nfs/dbraw/zinc/12/12/31/641121231.db2.gz VHQQLKZAHMQIJZ-UHFFFAOYSA-N 1 2 235.306 2.592 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(C2CC2)no1 ZINC000934471212 641163541 /nfs/dbraw/zinc/16/35/41/641163541.db2.gz SVLCXQOTVXDYSW-GXSJLCMTSA-N 1 2 233.315 2.658 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(C2CC2)no1 ZINC000934471212 641163545 /nfs/dbraw/zinc/16/35/45/641163545.db2.gz SVLCXQOTVXDYSW-GXSJLCMTSA-N 1 2 233.315 2.658 20 30 BFEDLO C=CC[C@H](CC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935798623 641486046 /nfs/dbraw/zinc/48/60/46/641486046.db2.gz HDATVLDTTDUNDV-NSHDSACASA-N 1 2 243.310 2.647 20 30 BFEDLO NC(=[NH+]OCc1ccccc1F)c1ccccc1 ZINC000047823474 641661768 /nfs/dbraw/zinc/66/17/68/641661768.db2.gz UTAFHJMGYYAWMF-UHFFFAOYSA-N 1 2 244.269 2.663 20 30 BFEDLO Oc1ccc(/C=[NH+]/CCC2CCCC2)c(O)c1O ZINC000193121075 641744477 /nfs/dbraw/zinc/74/44/77/641744477.db2.gz WVJDUDNVKCHXTH-OQLLNIDSSA-N 1 2 249.310 2.803 20 30 BFEDLO COc1cccc(/C=[NH+]\C[C@@H](C)C2CC2)c1O ZINC000920177809 642448851 /nfs/dbraw/zinc/44/88/51/642448851.db2.gz LACJYCBGUNLBON-XBDQXEDDSA-N 1 2 233.311 2.866 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/CCC(C)C)c1 ZINC000072658120 642499646 /nfs/dbraw/zinc/49/96/46/642499646.db2.gz DAZISMUGZATDCL-NTEUORMPSA-N 1 2 221.300 2.866 20 30 BFEDLO Oc1cccc(/C=[NH+]\C[C@H]2CC=CCC2)c1O ZINC000920991356 642568096 /nfs/dbraw/zinc/56/80/96/642568096.db2.gz RSFRIGIEKDJZSA-SAIXKJTDSA-N 1 2 231.295 2.873 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000070634643 643052737 /nfs/dbraw/zinc/05/27/37/643052737.db2.gz VNXKEWDCABQSNE-MRVPVSSYSA-N 1 2 216.737 2.855 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](CC)c1nccs1 ZINC000070634288 643053121 /nfs/dbraw/zinc/05/31/21/643053121.db2.gz AFPASWWVBKCJGS-MRVPVSSYSA-N 1 2 216.737 2.936 20 30 BFEDLO Cc1cc(C(N)=[NH+]OC2CCCC2)ccc1F ZINC000183247751 643097904 /nfs/dbraw/zinc/09/79/04/643097904.db2.gz IDLVVHFJCSNUNP-UHFFFAOYSA-N 1 2 236.290 2.714 20 30 BFEDLO C=CCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000740872997 644558554 /nfs/dbraw/zinc/55/85/54/644558554.db2.gz VJRLMWAPEVBOGW-UHFFFAOYSA-N 1 2 238.718 2.943 20 30 BFEDLO C=CCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000740872687 644559353 /nfs/dbraw/zinc/55/93/53/644559353.db2.gz LFUWAHOTCMTMAH-UHFFFAOYSA-N 1 2 236.290 2.737 20 30 BFEDLO C[C@@H]1CC[C@H](/[NH+]=C\c2ccccc2O)C1 ZINC000780149352 644724800 /nfs/dbraw/zinc/72/48/00/644724800.db2.gz MTXITTBLIBYVSG-WHKICVQCSA-N 1 2 203.285 3.000 20 30 BFEDLO C=C(C)CCc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000924062499 645974359 /nfs/dbraw/zinc/97/43/59/645974359.db2.gz VYUAISOMHYHDFC-NXEZZACHSA-N 1 2 244.298 2.573 20 30 BFEDLO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(C#N)c1O ZINC000924949171 646136776 /nfs/dbraw/zinc/13/67/76/646136776.db2.gz KQAINWBUKRJRHO-TVYUQYBPSA-N 1 2 230.311 2.713 20 30 BFEDLO CC1CC(C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000929800970 646324052 /nfs/dbraw/zinc/32/40/52/646324052.db2.gz ZGSVRRZWVBHXOT-UHFFFAOYSA-N 1 2 243.354 2.843 20 30 BFEDLO CC1CC(C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000929800970 646324056 /nfs/dbraw/zinc/32/40/56/646324056.db2.gz ZGSVRRZWVBHXOT-UHFFFAOYSA-N 1 2 243.354 2.843 20 30 BFEDLO C=C(C)CN(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930117541 646441279 /nfs/dbraw/zinc/44/12/79/646441279.db2.gz PUYITPDALSHESP-UHFFFAOYSA-N 1 2 243.310 2.601 20 30 BFEDLO N#Cc1ccc(C[N@H+](Cc2ccoc2)C2CC2)o1 ZINC000934004702 711561005 /nfs/dbraw/zinc/56/10/05/711561005.db2.gz RTPRRAIAMVMBSK-UHFFFAOYSA-N 1 2 242.278 2.909 20 30 BFEDLO N#Cc1ccc(C[N@@H+](Cc2ccoc2)C2CC2)o1 ZINC000934004702 711561008 /nfs/dbraw/zinc/56/10/08/711561008.db2.gz RTPRRAIAMVMBSK-UHFFFAOYSA-N 1 2 242.278 2.909 20 30 BFEDLO C[C@H](CC(C)(C)C#N)[NH2+]C(C)(C)C(F)F ZINC000894146960 711764582 /nfs/dbraw/zinc/76/45/82/711764582.db2.gz COFUVHPSXIZBGF-MRVPVSSYSA-N 1 2 218.291 2.948 20 30 BFEDLO CCc1ccc2[nH+]ccc(NCCC#N)c2c1 ZINC000450483900 711936948 /nfs/dbraw/zinc/93/69/48/711936948.db2.gz KKSBPNAEFFHMMS-UHFFFAOYSA-N 1 2 225.295 2.545 20 30 BFEDLO CCCc1cc(NCCC#N)c2ccccc2[nH+]1 ZINC000362662759 712015515 /nfs/dbraw/zinc/01/55/15/712015515.db2.gz IYVKQHHXWTYDBV-UHFFFAOYSA-N 1 2 239.322 2.935 20 30 BFEDLO C=C(CC)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708442571 712194777 /nfs/dbraw/zinc/19/47/77/712194777.db2.gz NDWDOGAAVSMGAA-UHFFFAOYSA-N 1 2 227.254 2.726 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716344796 712555876 /nfs/dbraw/zinc/55/58/76/712555876.db2.gz CIUCDVHRACWSBN-KBPBESRZSA-N 1 2 248.370 2.571 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716344796 712555878 /nfs/dbraw/zinc/55/58/78/712555878.db2.gz CIUCDVHRACWSBN-KBPBESRZSA-N 1 2 248.370 2.571 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CCC[C@H]1C#N ZINC000879307861 712633016 /nfs/dbraw/zinc/63/30/16/712633016.db2.gz FPUKKOVDAOZYCQ-RYUDHWBXSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CCC[C@H]1C#N ZINC000879307861 712633017 /nfs/dbraw/zinc/63/30/17/712633017.db2.gz FPUKKOVDAOZYCQ-RYUDHWBXSA-N 1 2 249.745 2.859 20 30 BFEDLO COc1cc(C)c[nH+]c1NCCCCC#N ZINC001157641116 963688148 /nfs/dbraw/zinc/68/81/48/963688148.db2.gz LBKSVQNUEAGWJI-UHFFFAOYSA-N 1 2 219.288 2.504 20 30 BFEDLO CC1=CC[C@H](CC[NH+]2CC(C#N)C2)C1(C)C ZINC001207270003 968700506 /nfs/dbraw/zinc/70/05/06/968700506.db2.gz XEEYHLSHKSOWPA-CYBMUJFWSA-N 1 2 218.344 2.824 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1cccc(C)n1 ZINC001255154094 969957888 /nfs/dbraw/zinc/95/78/88/969957888.db2.gz BPWCMBBBBQWJSL-VXGBXAGGSA-N 1 2 217.316 2.733 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255535753 970299378 /nfs/dbraw/zinc/29/93/78/970299378.db2.gz GIBCKSNVLRCIHX-NSHDSACASA-N 1 2 224.348 2.616 20 30 BFEDLO C[C@H](CC(F)(F)F)[N@@H+]1CCC[C@H](C#N)C1 ZINC001255656235 970432627 /nfs/dbraw/zinc/43/26/27/970432627.db2.gz RQLINWDDKZGXQJ-RKDXNWHRSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@H](CC(F)(F)F)[N@H+]1CCC[C@H](C#N)C1 ZINC001255656235 970432631 /nfs/dbraw/zinc/43/26/31/970432631.db2.gz RQLINWDDKZGXQJ-RKDXNWHRSA-N 1 2 220.238 2.563 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(Cl)c(C#N)c1 ZINC001238195098 980223151 /nfs/dbraw/zinc/22/31/51/980223151.db2.gz ZYOJLGJVKFXHNV-UHFFFAOYSA-N 1 2 247.729 2.947 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(Cl)c(C#N)c1 ZINC001238195098 980223160 /nfs/dbraw/zinc/22/31/60/980223160.db2.gz ZYOJLGJVKFXHNV-UHFFFAOYSA-N 1 2 247.729 2.947 20 30 BFEDLO C=C[C@@H](CC)CC(=O)OCc1c[nH+]cn1CC ZINC001344970805 980509393 /nfs/dbraw/zinc/50/93/93/980509393.db2.gz DNIQDYCPEFUJFP-NSHDSACASA-N 1 2 236.315 2.549 20 30 BFEDLO Cc1cc(C#N)c(Nc2ccc(N)[nH+]c2)s1 ZINC001201272757 983172970 /nfs/dbraw/zinc/17/29/70/983172970.db2.gz USHFQMWQIVUHST-UHFFFAOYSA-N 1 2 230.296 2.649 20 30 BFEDLO Cc1nnn([NH+]=C[C@H]2CCCC(C)(C)C2)c1C ZINC001331336698 974688005 /nfs/dbraw/zinc/68/80/05/974688005.db2.gz SRIXWYPMEQAMHV-LBPRGKRZSA-N 1 2 234.347 2.945 20 30 BFEDLO C[C@@H](CCCC#N)[NH2+]C1(C#N)CCCCC1 ZINC001172484059 974786227 /nfs/dbraw/zinc/78/62/27/974786227.db2.gz XAAAXTSBCIBXDJ-LBPRGKRZSA-N 1 2 219.332 2.885 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@H](C)CCCC#N ZINC001172487100 974804112 /nfs/dbraw/zinc/80/41/12/974804112.db2.gz JPSMJIKTCQLOAM-VXGBXAGGSA-N 1 2 207.321 2.741 20 30 BFEDLO CCC[C@@](C)(C#N)[NH2+][C@H](C)CCCC#N ZINC001172487097 974804609 /nfs/dbraw/zinc/80/46/09/974804609.db2.gz JPSMJIKTCQLOAM-NEPJUHHUSA-N 1 2 207.321 2.741 20 30 BFEDLO CNc1ccc(NCC#Cc2ccccc2)c[nH+]1 ZINC001170427318 970789483 /nfs/dbraw/zinc/78/94/83/970789483.db2.gz MQLZTRSOLZZRHV-UHFFFAOYSA-N 1 2 237.306 2.587 20 30 BFEDLO CC1(C#N)CC[NH+](CC=C(Cl)Cl)CC1 ZINC000403386927 970930354 /nfs/dbraw/zinc/93/03/54/970930354.db2.gz RGXCPNQJBJVQIE-UHFFFAOYSA-N 1 2 233.142 2.931 20 30 BFEDLO C#Cc1cc(Nc2ccc(C#N)c(CC)c2)cc[nH+]1 ZINC001216313158 971026476 /nfs/dbraw/zinc/02/64/76/971026476.db2.gz FDWJUFLHRFAXLY-UHFFFAOYSA-N 1 2 247.301 2.662 20 30 BFEDLO N#CC1CCC([NH+]2CC(F)(C3CC3)C2)CC1 ZINC001256964713 971034938 /nfs/dbraw/zinc/03/49/38/971034938.db2.gz BGVYGARWSRAOES-UHFFFAOYSA-N 1 2 222.307 2.503 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257079369 971079496 /nfs/dbraw/zinc/07/94/96/971079496.db2.gz DJMIHASQHBVZPB-YVECIDJPSA-N 1 2 224.348 2.614 20 30 BFEDLO CCCC[N@H+](CC#N)C1C[C@@H](C)O[C@H](C)C1 ZINC001257098543 971106369 /nfs/dbraw/zinc/10/63/69/971106369.db2.gz BIDXRPINLQXOPF-VXGBXAGGSA-N 1 2 224.348 2.568 20 30 BFEDLO CCCC[N@@H+](CC#N)C1C[C@@H](C)O[C@H](C)C1 ZINC001257098543 971106374 /nfs/dbraw/zinc/10/63/74/971106374.db2.gz BIDXRPINLQXOPF-VXGBXAGGSA-N 1 2 224.348 2.568 20 30 BFEDLO CCC[C@@H](CC)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001257259871 971159736 /nfs/dbraw/zinc/15/97/36/971159736.db2.gz PGRQHNQZAXBBNW-VXGBXAGGSA-N 1 2 239.384 2.839 20 30 BFEDLO CCC[C@@H](CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257259871 971159745 /nfs/dbraw/zinc/15/97/45/971159745.db2.gz PGRQHNQZAXBBNW-VXGBXAGGSA-N 1 2 239.384 2.839 20 30 BFEDLO CCC[C@@H](CC)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257259871 971159752 /nfs/dbraw/zinc/15/97/52/971159752.db2.gz PGRQHNQZAXBBNW-VXGBXAGGSA-N 1 2 239.384 2.839 20 30 BFEDLO CCC[C@@H](CC)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257259871 971159758 /nfs/dbraw/zinc/15/97/58/971159758.db2.gz PGRQHNQZAXBBNW-VXGBXAGGSA-N 1 2 239.384 2.839 20 30 BFEDLO Cc1ccc(C[NH2+]CCC#N)c(Cl)c1 ZINC000404467704 971167955 /nfs/dbraw/zinc/16/79/55/971167955.db2.gz BZFRPNMFNWZHPA-UHFFFAOYSA-N 1 2 208.692 2.652 20 30 BFEDLO CCC[C@@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001257316477 971211955 /nfs/dbraw/zinc/21/19/55/971211955.db2.gz DWUZHZRVPLVTLW-CYBMUJFWSA-N 1 2 231.343 2.986 20 30 BFEDLO CCC[C@@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001257316477 971211961 /nfs/dbraw/zinc/21/19/61/971211961.db2.gz DWUZHZRVPLVTLW-CYBMUJFWSA-N 1 2 231.343 2.986 20 30 BFEDLO CCCCCC[C@H](CC)N1CC[NH2+]C[C@@H]1C#N ZINC001170593193 971305906 /nfs/dbraw/zinc/30/59/06/971305906.db2.gz QMXSZKKRQWKNLL-KBPBESRZSA-N 1 2 237.391 2.533 20 30 BFEDLO CC(C)OC1CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001257885843 971519479 /nfs/dbraw/zinc/51/94/79/971519479.db2.gz XFZRFWSOLZSOTM-PNESKVBLSA-N 1 2 224.348 2.566 20 30 BFEDLO CC(C)OC1CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001257885843 971519489 /nfs/dbraw/zinc/51/94/89/971519489.db2.gz XFZRFWSOLZSOTM-PNESKVBLSA-N 1 2 224.348 2.566 20 30 BFEDLO CCC(C#N)(CC)[NH2+]C1CCC2(COC2)CC1 ZINC001257904666 971533875 /nfs/dbraw/zinc/53/38/75/971533875.db2.gz YQUNTUCBCIHQFQ-UHFFFAOYSA-N 1 2 236.359 2.618 20 30 BFEDLO CC(C)C[C@H](C#N)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170731408 971671646 /nfs/dbraw/zinc/67/16/46/971671646.db2.gz QGJIEUAVSLQHEJ-FVCCEPFGSA-N 1 2 220.360 2.949 20 30 BFEDLO N#CCCCCNc1cc2cc[nH]c2c[nH+]1 ZINC000309634260 971713565 /nfs/dbraw/zinc/71/35/65/971713565.db2.gz LTRXDDOBQCHZSH-UHFFFAOYSA-N 1 2 214.272 2.669 20 30 BFEDLO C=C[C@H](C#CC(C)(C)C)Oc1cc(N)cc[nH+]1 ZINC001218412540 971784067 /nfs/dbraw/zinc/78/40/67/971784067.db2.gz BQTKAJXCGDXMKC-GFCCVEGCSA-N 1 2 230.311 2.647 20 30 BFEDLO C=CCC[C@@H](CC)Oc1cc(N)cc[nH+]1 ZINC001218435655 971815697 /nfs/dbraw/zinc/81/56/97/971815697.db2.gz ATAAPPOYNUVYHR-LLVKDONJSA-N 1 2 206.289 2.787 20 30 BFEDLO Cc1cc(-c2ccccc2CC#N)c[nH+]c1N ZINC001245537517 971851521 /nfs/dbraw/zinc/85/15/21/971851521.db2.gz FRVNRMBNWRBPMO-UHFFFAOYSA-N 1 2 223.279 2.705 20 30 BFEDLO Cc1cc(-c2ccc3[nH]c(C#N)cc3c2)c[nH+]c1N ZINC001245539115 971855078 /nfs/dbraw/zinc/85/50/78/971855078.db2.gz RARPNFXHUARUJY-UHFFFAOYSA-N 1 2 248.289 2.992 20 30 BFEDLO SCCCNc1[nH+]cccc1-n1cccc1 ZINC001171001003 972226304 /nfs/dbraw/zinc/22/63/04/972226304.db2.gz MWNUBHGHSWIIDN-UHFFFAOYSA-N 1 2 233.340 2.604 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(F)c(Cl)c1F ZINC001143626214 972346802 /nfs/dbraw/zinc/34/68/02/972346802.db2.gz MKNHOUTWPQABDE-UHFFFAOYSA-N 1 2 229.657 2.683 20 30 BFEDLO C#CC[N@H+](C)Cc1ccc(F)c(Cl)c1F ZINC001143626214 972346806 /nfs/dbraw/zinc/34/68/06/972346806.db2.gz MKNHOUTWPQABDE-UHFFFAOYSA-N 1 2 229.657 2.683 20 30 BFEDLO C=CC[C@H](OCCn1cc[nH+]c1)C(C)C ZINC001222138563 972389407 /nfs/dbraw/zinc/38/94/07/972389407.db2.gz HHNPCAVPEURGQT-LBPRGKRZSA-N 1 2 208.305 2.500 20 30 BFEDLO C=CCn1cc(-c2cccc3[nH+]c(C)cn32)cn1 ZINC001222386717 972452945 /nfs/dbraw/zinc/45/29/45/972452945.db2.gz PIZVNTJZFDSRSK-UHFFFAOYSA-N 1 2 238.294 2.692 20 30 BFEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)C(F)F ZINC000695841865 960507170 /nfs/dbraw/zinc/50/71/70/960507170.db2.gz JOCKHECNXOQUHI-SFYZADRCSA-N 1 2 204.264 2.558 20 30 BFEDLO C#CC[N@@H+](C)Cc1c(Cl)ncc2ccccc21 ZINC001140722479 960534827 /nfs/dbraw/zinc/53/48/27/960534827.db2.gz VJUONLJRKDJWAF-UHFFFAOYSA-N 1 2 244.725 2.953 20 30 BFEDLO C#CC[N@H+](C)Cc1c(Cl)ncc2ccccc21 ZINC001140722479 960534835 /nfs/dbraw/zinc/53/48/35/960534835.db2.gz VJUONLJRKDJWAF-UHFFFAOYSA-N 1 2 244.725 2.953 20 30 BFEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1csnn1 ZINC000695890164 960569419 /nfs/dbraw/zinc/56/94/19/960569419.db2.gz GSSFCAZFCGWPCI-BDAKNGLRSA-N 1 2 238.360 2.517 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1[nH]cc(C)c1C ZINC001140860503 960642322 /nfs/dbraw/zinc/64/23/22/960642322.db2.gz UCFVFVQKEWHBPB-UHFFFAOYSA-N 1 2 219.332 2.757 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1[nH]cc(C)c1C ZINC001140860503 960642328 /nfs/dbraw/zinc/64/23/28/960642328.db2.gz UCFVFVQKEWHBPB-UHFFFAOYSA-N 1 2 219.332 2.757 20 30 BFEDLO N#C[C@H]1CC[C@H]([NH2+]c2ccc(O)cc2)CC1 ZINC001167844517 961246997 /nfs/dbraw/zinc/24/69/97/961246997.db2.gz IOMIFHLOAPCHIU-XYPYZODXSA-N 1 2 216.284 2.886 20 30 BFEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167930786 962061387 /nfs/dbraw/zinc/06/13/87/962061387.db2.gz LDXLYSGSINJTEX-QDMKHBRRSA-N 1 2 241.338 2.596 20 30 BFEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167930786 962061410 /nfs/dbraw/zinc/06/14/10/962061410.db2.gz LDXLYSGSINJTEX-QDMKHBRRSA-N 1 2 241.338 2.596 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)cn1 ZINC000710111383 962298808 /nfs/dbraw/zinc/29/88/08/962298808.db2.gz RSCPYKMXMMNHSX-SECBINFHSA-N 1 2 237.734 2.935 20 30 BFEDLO C=C[C@@H]([NH2+][C@@H](C)C1CCCCCC1)C(=O)OC 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963668797 /nfs/dbraw/zinc/66/87/97/963668797.db2.gz LKMOPROXDWDITC-UHFFFAOYSA-N 1 2 241.319 2.634 20 30 BFEDLO C#C[C@@](C)(CC)Nc1[nH+]ccc(C)c1NC(C)=O ZINC001158743682 963913295 /nfs/dbraw/zinc/91/32/95/963913295.db2.gz YOILPPHTTYUBQE-AWEZNQCLSA-N 1 2 245.326 2.562 20 30 BFEDLO C#C[C@](C)(CC)Nc1[nH+]ccc(F)c1C ZINC001158739001 963913340 /nfs/dbraw/zinc/91/33/40/963913340.db2.gz YTODQPXXXSSCBY-GFCCVEGCSA-N 1 2 206.264 2.743 20 30 BFEDLO C[C@@H](CC(C)(C)C#N)[NH2+]C1(C(F)F)CC1 ZINC000697429665 963923044 /nfs/dbraw/zinc/92/30/44/963923044.db2.gz DLWGMOIBJXHFGA-QMMMGPOBSA-N 1 2 216.275 2.702 20 30 BFEDLO CO[C@@H](C)CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001158807295 963929989 /nfs/dbraw/zinc/92/99/89/963929989.db2.gz SCFAPXMFHLXGMO-JTQLQIEISA-N 1 2 241.294 2.553 20 30 BFEDLO C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(F)F ZINC000697660273 964435140 /nfs/dbraw/zinc/43/51/40/964435140.db2.gz AOJYJPCMDIDFBT-QMMMGPOBSA-N 1 2 204.264 2.560 20 30 BFEDLO Cc1nc(C#N)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213028805 964481263 /nfs/dbraw/zinc/48/12/63/964481263.db2.gz XUFCBWAIVNPETR-UHFFFAOYSA-N 1 2 249.277 2.882 20 30 BFEDLO C=C(C)CNc1ccc2[nH+]cn(C)c2c1 ZINC001163378618 965382701 /nfs/dbraw/zinc/38/27/01/965382701.db2.gz PKJCPZNXIGYOFX-UHFFFAOYSA-N 1 2 201.273 2.561 20 30 BFEDLO C=C(C)CNc1cc(C)[nH+]c(OC(F)F)c1 ZINC001163381631 965385990 /nfs/dbraw/zinc/38/59/90/965385990.db2.gz WLMOISIIDMIOMD-UHFFFAOYSA-N 1 2 228.242 2.979 20 30 BFEDLO CNc1ccc(Nc2oc(C)c(C)c2C#N)c[nH+]1 ZINC001203450050 965530459 /nfs/dbraw/zinc/53/04/59/965530459.db2.gz QCBRNTKLYBJUMJ-UHFFFAOYSA-N 1 2 242.282 2.948 20 30 BFEDLO N#C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300005549 966491315 /nfs/dbraw/zinc/49/13/15/966491315.db2.gz VKXVDZJCRYANPR-ZIAGYGMSSA-N 1 2 248.370 2.714 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300005549 966491319 /nfs/dbraw/zinc/49/13/19/966491319.db2.gz VKXVDZJCRYANPR-ZIAGYGMSSA-N 1 2 248.370 2.714 20 30 BFEDLO CNc1ccc(Nc2ccsc2C#N)c[nH+]1 ZINC001203449846 966644844 /nfs/dbraw/zinc/64/48/44/966644844.db2.gz NAFAPYPOANBQMD-UHFFFAOYSA-N 1 2 230.296 2.800 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cccc(C)n1 ZINC001204069581 966880893 /nfs/dbraw/zinc/88/08/93/966880893.db2.gz UVJLUTRQEHRHQY-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cccc(C)n1 ZINC001204069581 966880896 /nfs/dbraw/zinc/88/08/96/966880896.db2.gz UVJLUTRQEHRHQY-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1cccc(C)n1 ZINC001204069592 966881118 /nfs/dbraw/zinc/88/11/18/966881118.db2.gz VMALRZILJXGTOE-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1cccc(C)n1 ZINC001204069592 966881123 /nfs/dbraw/zinc/88/11/23/966881123.db2.gz VMALRZILJXGTOE-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO N#CCC[N@H+](Cc1ccoc1)C1CCCC1 ZINC001204243503 966942602 /nfs/dbraw/zinc/94/26/02/966942602.db2.gz WJUAIBXICDKOPD-UHFFFAOYSA-N 1 2 218.300 2.938 20 30 BFEDLO N#CCC[N@@H+](Cc1ccoc1)C1CCCC1 ZINC001204243503 966942609 /nfs/dbraw/zinc/94/26/09/966942609.db2.gz WJUAIBXICDKOPD-UHFFFAOYSA-N 1 2 218.300 2.938 20 30 BFEDLO C=C(C)C(C)(C)C(=O)OCc1c[nH+]cn1CC ZINC001527012652 966998115 /nfs/dbraw/zinc/99/81/15/966998115.db2.gz WFNCMNUYSLYKJB-UHFFFAOYSA-N 1 2 236.315 2.549 20 30 BFEDLO Cc1c(F)cccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001204514549 967019509 /nfs/dbraw/zinc/01/95/09/967019509.db2.gz ZGRUBDWKVGPMKF-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1c(F)cccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001204514549 967019526 /nfs/dbraw/zinc/01/95/26/967019526.db2.gz ZGRUBDWKVGPMKF-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(Nc2ccnc(C#N)c2)c(C)[nH+]1 ZINC000094666206 967062965 /nfs/dbraw/zinc/06/29/65/967062965.db2.gz MEFMYUBQQVAGGC-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO COc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)c(F)c1 ZINC000903102417 967073453 /nfs/dbraw/zinc/07/34/53/967073453.db2.gz YQJFGSKLHADPQG-JTQLQIEISA-N 1 2 248.301 2.789 20 30 BFEDLO Cc1nccnc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903109518 967073946 /nfs/dbraw/zinc/07/39/46/967073946.db2.gz QMQNLNSDZDRNHA-LBPRGKRZSA-N 1 2 244.342 2.520 20 30 BFEDLO C#Cc1cc(Nc2cccc3ccoc32)cc[nH+]1 ZINC001249911506 967148774 /nfs/dbraw/zinc/14/87/74/967148774.db2.gz OYUVZGUXCYVTME-UHFFFAOYSA-N 1 2 234.258 2.975 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc2[nH]ccc2c1 ZINC001205563415 967700411 /nfs/dbraw/zinc/70/04/11/967700411.db2.gz QQWNYIIJRKYUBS-UHFFFAOYSA-N 1 2 213.284 2.513 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc2[nH]ccc2c1 ZINC001205563415 967700415 /nfs/dbraw/zinc/70/04/15/967700415.db2.gz QQWNYIIJRKYUBS-UHFFFAOYSA-N 1 2 213.284 2.513 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1ncccc1C ZINC001205793335 967823461 /nfs/dbraw/zinc/82/34/61/967823461.db2.gz QERMFHWUCRHRGF-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1ncccc1C ZINC001205793335 967823462 /nfs/dbraw/zinc/82/34/62/967823462.db2.gz QERMFHWUCRHRGF-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO C=CCCc1[nH+]c2cc(OC)ccc2n1C ZINC001250598793 968136277 /nfs/dbraw/zinc/13/62/77/968136277.db2.gz BYBMSHCNABYSHT-UHFFFAOYSA-N 1 2 216.284 2.701 20 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Cc1cc2[nH+]ccn2cc1-c1ccnc(C#N)c1 ZINC001241189331 968947802 /nfs/dbraw/zinc/94/78/02/968947802.db2.gz PFWVOJQXNCYSIM-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO CCCC[N@H+](CCC#N)CCC(F)(F)F ZINC000088597625 968974855 /nfs/dbraw/zinc/97/48/55/968974855.db2.gz AQLUSWZDXMSEFQ-UHFFFAOYSA-N 1 2 222.254 2.955 20 30 BFEDLO CCCC[N@@H+](CCC#N)CCC(F)(F)F ZINC000088597625 968974863 /nfs/dbraw/zinc/97/48/63/968974863.db2.gz AQLUSWZDXMSEFQ-UHFFFAOYSA-N 1 2 222.254 2.955 20 30 BFEDLO CC1=C[C@H](C)[C@H](C[N@@H+](C)[C@H](C)C#N)CC1 ZINC001208166420 969101414 /nfs/dbraw/zinc/10/14/14/969101414.db2.gz AKZYMQCOUJXETD-XQQFMLRXSA-N 1 2 206.333 2.823 20 30 BFEDLO CC1=C[C@H](C)[C@H](C[N@H+](C)[C@H](C)C#N)CC1 ZINC001208166420 969101421 /nfs/dbraw/zinc/10/14/21/969101421.db2.gz AKZYMQCOUJXETD-XQQFMLRXSA-N 1 2 206.333 2.823 20 30 BFEDLO CSc1cc(Nc2ccc(C#N)nc2)cc[nH+]1 ZINC001209559372 969545588 /nfs/dbraw/zinc/54/55/88/969545588.db2.gz HVUYXPRNFUKWFS-UHFFFAOYSA-N 1 2 242.307 2.814 20 30 BFEDLO N#Cc1ccnc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209841571 969654003 /nfs/dbraw/zinc/65/40/03/969654003.db2.gz VWYIEZQRESDFCD-UHFFFAOYSA-N 1 2 235.250 2.573 20 30 BFEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2Cc3cnc(Cl)cc3C2)C1 ZINC001254678949 969785900 /nfs/dbraw/zinc/78/59/00/969785900.db2.gz IXZMYTQAZUMWPU-BXKDBHETSA-N 1 2 247.729 2.743 20 30 BFEDLO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3cnc(Cl)cc3C2)C1 ZINC001254678949 969785908 /nfs/dbraw/zinc/78/59/08/969785908.db2.gz IXZMYTQAZUMWPU-BXKDBHETSA-N 1 2 247.729 2.743 20 30 BFEDLO Cn1c[nH+]c2cc(Nc3cncc(C#N)c3)ccc21 ZINC001210086317 969795456 /nfs/dbraw/zinc/79/54/56/969795456.db2.gz DELLQNJKEYRIDV-UHFFFAOYSA-N 1 2 249.277 2.584 20 30 BFEDLO C#C[C@](C)(CC)Nc1ccc2[nH+]cn(C)c2c1 ZINC001169698420 969819145 /nfs/dbraw/zinc/81/91/45/969819145.db2.gz WBAOZJABMCFKTH-CQSZACIVSA-N 1 2 227.311 2.787 20 30 BFEDLO C#C[C@@](C)(CC)Nc1ccc(OC)c(C)[nH+]1 ZINC001169700022 969822975 /nfs/dbraw/zinc/82/29/75/969822975.db2.gz FVVUVHWRTYSVRN-ZDUSSCGKSA-N 1 2 218.300 2.612 20 30 BFEDLO C=C[C@@H](CO)Nc1cc([NH+](CC)CC)ccc1C ZINC001169784516 969857965 /nfs/dbraw/zinc/85/79/65/969857965.db2.gz KYTFLXYWKCAQTN-ZDUSSCGKSA-N 1 2 248.370 2.800 20 30 BFEDLO CC[C@H](CC#N)[N@@H+]1CCOC2(CCCCC2)C1 ZINC001255175989 969992105 /nfs/dbraw/zinc/99/21/05/969992105.db2.gz UGCQODHWBZWTPP-CYBMUJFWSA-N 1 2 236.359 2.714 20 30 BFEDLO CC[C@H](CC#N)[N@H+]1CCOC2(CCCCC2)C1 ZINC001255175989 969992109 /nfs/dbraw/zinc/99/21/09/969992109.db2.gz UGCQODHWBZWTPP-CYBMUJFWSA-N 1 2 236.359 2.714 20 30 BFEDLO C[C@@H]1CC(=O)C=C(Nc2cccc3[nH+]ccn32)C1 ZINC001210766358 970017942 /nfs/dbraw/zinc/01/79/42/970017942.db2.gz NEVCHKUDTCHMPE-JTQLQIEISA-N 1 2 241.294 2.629 20 30 BFEDLO CC(C)n1c[nH+]c(NC2=CC(=O)C[C@@H](C)C2)c1 ZINC001210770985 970022213 /nfs/dbraw/zinc/02/22/13/970022213.db2.gz IGAKEIXCNLKKJE-JTQLQIEISA-N 1 2 233.315 2.759 20 30 BFEDLO CCCCCCCCN1CC[NH2+]CC(F)(F)C1 ZINC001210815513 970048622 /nfs/dbraw/zinc/04/86/22/970048622.db2.gz UZXXHZHPMCBKRL-UHFFFAOYSA-N 1 2 248.361 2.887 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255536166 970306421 /nfs/dbraw/zinc/30/64/21/970306421.db2.gz HEYSLRVYAROUDU-TZMCWYRMSA-N 1 2 238.375 2.862 20 30 BFEDLO Cc1ccc[nH+]c1Nc1ccc(N)c(C#N)c1 ZINC001213427013 970312343 /nfs/dbraw/zinc/31/23/43/970312343.db2.gz IVRDSXYYSDGFGY-UHFFFAOYSA-N 1 2 224.267 2.588 20 30 BFEDLO Cc1nc(C#N)c(Nc2c[nH+]c(C)cc2C)o1 ZINC001213507704 970334045 /nfs/dbraw/zinc/33/40/45/970334045.db2.gz BSDIFXUAVDTIMI-UHFFFAOYSA-N 1 2 228.255 2.610 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC001170189962 970560872 /nfs/dbraw/zinc/56/08/72/970560872.db2.gz CLDATJHYRBVZTG-FRRDWIJNSA-N 1 2 224.348 2.616 20 30 BFEDLO CC[C@H]1C[C@H]([NH2+]C(C#N)(CC)CC)CCO1 ZINC001170190766 970567881 /nfs/dbraw/zinc/56/78/81/970567881.db2.gz HDVZEYRGUOJWIO-NEPJUHHUSA-N 1 2 224.348 2.616 20 30 BFEDLO CSc1cc(NCC(C)(C)S)nc(C)[nH+]1 ZINC001170302381 970694715 /nfs/dbraw/zinc/69/47/15/970694715.db2.gz IKSSBWDMTFBUSG-UHFFFAOYSA-N 1 2 243.401 2.627 20 30 BFEDLO Cn1c[nH+]c2ccc(NCC(C)(C)S)cc21 ZINC001170305953 970702119 /nfs/dbraw/zinc/70/21/19/970702119.db2.gz IOPDAAQBIVQOIO-UHFFFAOYSA-N 1 2 235.356 2.694 20 30 BFEDLO Cn1c[nH+]cc1CO[C@@H](CC#N)c1ccccc1 ZINC001222594102 972594391 /nfs/dbraw/zinc/59/43/91/972594391.db2.gz CJWKHKSVSPKRAY-AWEZNQCLSA-N 1 2 241.294 2.592 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H](C)CCCC#N ZINC001172490867 974836402 /nfs/dbraw/zinc/83/64/02/974836402.db2.gz BJECIIDUEJGLOV-CHWSQXEVSA-N 1 2 221.348 2.987 20 30 BFEDLO C[C@@H](CCCC#N)[N@@H+]1CCCC(F)(F)C1 ZINC001172491608 974836716 /nfs/dbraw/zinc/83/67/16/974836716.db2.gz FPBTZBUYMBJEPY-JTQLQIEISA-N 1 2 216.275 2.800 20 30 BFEDLO C[C@@H](CCCC#N)[N@H+]1CCCC(F)(F)C1 ZINC001172491608 974836717 /nfs/dbraw/zinc/83/67/17/974836717.db2.gz FPBTZBUYMBJEPY-JTQLQIEISA-N 1 2 216.275 2.800 20 30 BFEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@@H](C)CCCC#N ZINC001172490872 974837459 /nfs/dbraw/zinc/83/74/59/974837459.db2.gz BJECIIDUEJGLOV-STQMWFEESA-N 1 2 221.348 2.987 20 30 BFEDLO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001172491939 974839826 /nfs/dbraw/zinc/83/98/26/974839826.db2.gz IIPHUVUCHVIKIJ-MNOVXSKESA-N 1 2 248.292 2.995 20 30 BFEDLO C[C@H](CCCC#N)[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001172491939 974839828 /nfs/dbraw/zinc/83/98/28/974839828.db2.gz IIPHUVUCHVIKIJ-MNOVXSKESA-N 1 2 248.292 2.995 20 30 BFEDLO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001172491940 974840359 /nfs/dbraw/zinc/84/03/59/974840359.db2.gz IIPHUVUCHVIKIJ-QWRGUYRKSA-N 1 2 248.292 2.995 20 30 BFEDLO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001172491940 974840363 /nfs/dbraw/zinc/84/03/63/974840363.db2.gz IIPHUVUCHVIKIJ-QWRGUYRKSA-N 1 2 248.292 2.995 20 30 BFEDLO CC(C)(C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173040137 975013788 /nfs/dbraw/zinc/01/37/88/975013788.db2.gz WGPRUGYMWSETGG-UHFFFAOYSA-N 1 2 236.359 2.618 20 30 BFEDLO C[C@@H](C#N)[N@H+](C)C1CCC2(CCOCC2)CC1 ZINC001173049612 975016695 /nfs/dbraw/zinc/01/66/95/975016695.db2.gz ZAIFKSUVEBSXDL-LBPRGKRZSA-N 1 2 236.359 2.570 20 30 BFEDLO C[C@@H](C#N)[N@@H+](C)C1CCC2(CCOCC2)CC1 ZINC001173049612 975016702 /nfs/dbraw/zinc/01/67/02/975016702.db2.gz ZAIFKSUVEBSXDL-LBPRGKRZSA-N 1 2 236.359 2.570 20 30 BFEDLO CC[C@@H]1CC[C@@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001173263353 975116680 /nfs/dbraw/zinc/11/66/80/975116680.db2.gz JZGRNBZGKFMZEP-VXGBXAGGSA-N 1 2 206.333 2.991 20 30 BFEDLO C=C(C)C(=O)OC[C@@H](C)Oc1c(C)cc[nH+]c1C ZINC001227264286 975339229 /nfs/dbraw/zinc/33/92/29/975339229.db2.gz KYSCDABKZDFKAO-LLVKDONJSA-N 1 2 249.310 2.585 20 30 BFEDLO CC#C[C@H](CC)Oc1c(C)cc[nH+]c1C ZINC001227261802 975339660 /nfs/dbraw/zinc/33/96/60/975339660.db2.gz GNDHVGAUPJWIMP-LBPRGKRZSA-N 1 2 203.285 2.879 20 30 BFEDLO C#Cc1cc(Nc2cccnc2C2CC2)cc[nH+]1 ZINC001212735359 975398416 /nfs/dbraw/zinc/39/84/16/975398416.db2.gz SUMRBWCPKHFREJ-UHFFFAOYSA-N 1 2 235.290 2.501 20 30 BFEDLO C#Cc1cc(Nc2c(F)cccc2F)cc[nH+]1 ZINC001173858761 975797075 /nfs/dbraw/zinc/79/70/75/975797075.db2.gz RINXTLCMBAEZRX-UHFFFAOYSA-N 1 2 230.217 2.507 20 30 BFEDLO C#Cc1cc(Nc2ccc(F)c(F)c2)cc[nH+]1 ZINC001173865576 975809170 /nfs/dbraw/zinc/80/91/70/975809170.db2.gz QVRVTQJCDKEVQT-UHFFFAOYSA-N 1 2 230.217 2.507 20 30 BFEDLO CC(C)c1ocnc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001333605892 975887701 /nfs/dbraw/zinc/88/77/01/975887701.db2.gz QZJYGUIKUQINHH-GFCCVEGCSA-N 1 2 247.342 2.924 20 30 BFEDLO CC(C)c1ocnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001333605892 975887710 /nfs/dbraw/zinc/88/77/10/975887710.db2.gz QZJYGUIKUQINHH-GFCCVEGCSA-N 1 2 247.342 2.924 20 30 BFEDLO C#Cc1cc(Nc2ccc3c(ccn3C)c2)cc[nH+]1 ZINC001174097148 976300266 /nfs/dbraw/zinc/30/02/66/976300266.db2.gz UYQQQRUZESTINE-UHFFFAOYSA-N 1 2 247.301 2.720 20 30 BFEDLO C#Cc1cc(Nc2ccc3occc3c2)cc[nH+]1 ZINC001174416654 976663861 /nfs/dbraw/zinc/66/38/61/976663861.db2.gz OMARQVBOHMRKAS-UHFFFAOYSA-N 1 2 234.258 2.975 20 30 BFEDLO CCc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(CC)[nH+]1 ZINC001335062488 976837213 /nfs/dbraw/zinc/83/72/13/976837213.db2.gz SESAUHHZJZZCGX-CMPLNLGQSA-N 1 2 244.342 2.706 20 30 BFEDLO C[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)S ZINC001229954924 977036255 /nfs/dbraw/zinc/03/62/55/977036255.db2.gz WGAFEQJKJFVECH-MNOVXSKESA-N 1 2 248.351 2.958 20 30 BFEDLO C#Cc1cc(Nc2cccc3cccnc32)cc[nH+]1 ZINC001174857094 977125621 /nfs/dbraw/zinc/12/56/21/977125621.db2.gz VUQZFJBLZGRMOA-UHFFFAOYSA-N 1 2 245.285 2.777 20 30 BFEDLO C=CC[C@H](C=C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230921558 977381994 /nfs/dbraw/zinc/38/19/94/977381994.db2.gz OIZINNUFIRWUPZ-ZDUSSCGKSA-N 1 2 243.306 2.877 20 30 BFEDLO CC#C[C@@H](CC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230921886 977383432 /nfs/dbraw/zinc/38/34/32/977383432.db2.gz UWJAXFPAYCZWQZ-CYBMUJFWSA-N 1 2 243.306 2.548 20 30 BFEDLO C=C(C)CCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001335962857 977387408 /nfs/dbraw/zinc/38/74/08/977387408.db2.gz PYIMJOVUMZJEOS-UHFFFAOYSA-N 1 2 232.327 2.671 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cc2cc[nH]c2cn1 ZINC001231668871 977674651 /nfs/dbraw/zinc/67/46/51/977674651.db2.gz MMSHEJFTLVYULR-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cc2cc[nH]c2cn1 ZINC001231668871 977674658 /nfs/dbraw/zinc/67/46/58/977674658.db2.gz MMSHEJFTLVYULR-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO C#Cc1cc(Nc2cscc2C)cc[nH+]1 ZINC001175765974 977731169 /nfs/dbraw/zinc/73/11/69/977731169.db2.gz NDAMKUMQRCNLOO-UHFFFAOYSA-N 1 2 214.293 2.598 20 30 BFEDLO C#Cc1cccc(Nc2[nH+]cc(O)cc2C)c1 ZINC001175972198 977842405 /nfs/dbraw/zinc/84/24/05/977842405.db2.gz QSLWMMAOORBZOO-UHFFFAOYSA-N 1 2 224.263 2.821 20 30 BFEDLO COc1cc[nH+]cc1Nc1ccc(C#N)s1 ZINC001176119375 977949268 /nfs/dbraw/zinc/94/92/68/977949268.db2.gz QRKQAYACUFOJQJ-UHFFFAOYSA-N 1 2 231.280 2.767 20 30 BFEDLO COc1cc[nH+]cc1Nc1ccccc1CC#N ZINC001176122850 977956458 /nfs/dbraw/zinc/95/64/58/977956458.db2.gz JVCDVSDWPIFBKU-UHFFFAOYSA-N 1 2 239.278 2.900 20 30 BFEDLO C[N@H+](CCC#N)Cc1c[nH]c2nccc(Cl)c12 ZINC001232453891 978079754 /nfs/dbraw/zinc/07/97/54/978079754.db2.gz HKEVGUPLMUFCRX-UHFFFAOYSA-N 1 2 248.717 2.562 20 30 BFEDLO C[N@@H+](CCC#N)Cc1c[nH]c2nccc(Cl)c12 ZINC001232453891 978079764 /nfs/dbraw/zinc/07/97/64/978079764.db2.gz HKEVGUPLMUFCRX-UHFFFAOYSA-N 1 2 248.717 2.562 20 30 BFEDLO C=CCn1cc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001176542049 978120738 /nfs/dbraw/zinc/12/07/38/978120738.db2.gz LOTXKMSOKJIWKS-UHFFFAOYSA-N 1 2 228.299 2.825 20 30 BFEDLO Cc1cccc(F)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001232484390 978135765 /nfs/dbraw/zinc/13/57/65/978135765.db2.gz CJRJIPCZHWAELW-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cccc(F)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001232484390 978135772 /nfs/dbraw/zinc/13/57/72/978135772.db2.gz CJRJIPCZHWAELW-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](F)CC2)c1 ZINC001232673234 978233519 /nfs/dbraw/zinc/23/35/19/978233519.db2.gz CVIDYIUTGSIAJB-ZDUSSCGKSA-N 1 2 248.301 2.588 20 30 BFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](F)CC2)c1 ZINC001232673234 978233525 /nfs/dbraw/zinc/23/35/25/978233525.db2.gz CVIDYIUTGSIAJB-ZDUSSCGKSA-N 1 2 248.301 2.588 20 30 BFEDLO C[C@@]1(F)CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673484 978236158 /nfs/dbraw/zinc/23/61/58/978236158.db2.gz HPUGVYSBKJGPII-CQSZACIVSA-N 1 2 248.301 2.588 20 30 BFEDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673484 978236176 /nfs/dbraw/zinc/23/61/76/978236176.db2.gz HPUGVYSBKJGPII-CQSZACIVSA-N 1 2 248.301 2.588 20 30 BFEDLO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232678605 978239495 /nfs/dbraw/zinc/23/94/95/978239495.db2.gz JLBPKNDKJIBNOE-VXGBXAGGSA-N 1 2 244.338 2.742 20 30 BFEDLO N#Cc1ccc(O)c(C[NH+]2CC3(C2)CCCC3)c1 ZINC001232674742 978240973 /nfs/dbraw/zinc/24/09/73/978240973.db2.gz CZMHYWUPEHICHM-UHFFFAOYSA-N 1 2 242.322 2.640 20 30 BFEDLO CC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678995 978243272 /nfs/dbraw/zinc/24/32/72/978243272.db2.gz XQUDANWRAWHCBZ-GFCCVEGCSA-N 1 2 244.338 2.886 20 30 BFEDLO CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678995 978243281 /nfs/dbraw/zinc/24/32/81/978243281.db2.gz XQUDANWRAWHCBZ-GFCCVEGCSA-N 1 2 244.338 2.886 20 30 BFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC001232678859 978246077 /nfs/dbraw/zinc/24/60/77/978246077.db2.gz RMEYZLCOTJWNTI-UHFFFAOYSA-N 1 2 242.322 2.640 20 30 BFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC3(CCC3)C2)c1 ZINC001232678859 978246089 /nfs/dbraw/zinc/24/60/89/978246089.db2.gz RMEYZLCOTJWNTI-UHFFFAOYSA-N 1 2 242.322 2.640 20 30 BFEDLO Cc1c(Cl)nccc1C[NH+]1CCC(C#N)CC1 ZINC001232749423 978260644 /nfs/dbraw/zinc/26/06/44/978260644.db2.gz PBNWRPOHYHEEPZ-UHFFFAOYSA-N 1 2 249.745 2.779 20 30 BFEDLO N#Cc1cc[nH]c1C[N@H+]1CCCC(F)(F)CC1 ZINC001233046424 978430038 /nfs/dbraw/zinc/43/00/38/978430038.db2.gz WINYFHGJJAKYPS-UHFFFAOYSA-N 1 2 239.269 2.508 20 30 BFEDLO N#Cc1cc[nH]c1C[N@@H+]1CCCC(F)(F)CC1 ZINC001233046424 978430041 /nfs/dbraw/zinc/43/00/41/978430041.db2.gz WINYFHGJJAKYPS-UHFFFAOYSA-N 1 2 239.269 2.508 20 30 BFEDLO CC1(C#N)CC[NH+](Cc2cccc(O)c2F)CC1 ZINC001233057790 978453958 /nfs/dbraw/zinc/45/39/58/978453958.db2.gz OWBNQLATGNJHIO-UHFFFAOYSA-N 1 2 248.301 2.657 20 30 BFEDLO C=CC[N@@H+](C)Cc1ccc(OC)c(O)c1Cl ZINC001233400332 978597085 /nfs/dbraw/zinc/59/70/85/978597085.db2.gz DPPUDUHJRRPBFY-UHFFFAOYSA-N 1 2 241.718 2.672 20 30 BFEDLO C=CC[N@H+](C)Cc1ccc(OC)c(O)c1Cl ZINC001233400332 978597091 /nfs/dbraw/zinc/59/70/91/978597091.db2.gz DPPUDUHJRRPBFY-UHFFFAOYSA-N 1 2 241.718 2.672 20 30 BFEDLO CC[N@@H+](Cc1cccn1C(F)F)C[C@@H](C)C#N ZINC001180239355 978846281 /nfs/dbraw/zinc/84/62/81/978846281.db2.gz IPQLKEKJLHYOBC-JTQLQIEISA-N 1 2 241.285 2.865 20 30 BFEDLO CC[N@H+](Cc1cccn1C(F)F)C[C@@H](C)C#N ZINC001180239355 978846282 /nfs/dbraw/zinc/84/62/82/978846282.db2.gz IPQLKEKJLHYOBC-JTQLQIEISA-N 1 2 241.285 2.865 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccc(F)c(F)c1O ZINC001180375737 978869279 /nfs/dbraw/zinc/86/92/79/978869279.db2.gz XHCJTKMMLNOAIV-UHFFFAOYSA-N 1 2 239.265 2.844 20 30 BFEDLO C[N@H+](CCC#N)Cc1cccc(N2CCCC2)c1 ZINC001235089197 978972924 /nfs/dbraw/zinc/97/29/24/978972924.db2.gz NZNADGZCSIWYMV-UHFFFAOYSA-N 1 2 243.354 2.632 20 30 BFEDLO C[N@@H+](CCC#N)Cc1cccc(N2CCCC2)c1 ZINC001235089197 978972928 /nfs/dbraw/zinc/97/29/28/978972928.db2.gz NZNADGZCSIWYMV-UHFFFAOYSA-N 1 2 243.354 2.632 20 30 BFEDLO N#CCC1C[NH+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235234365 979002104 /nfs/dbraw/zinc/00/21/04/979002104.db2.gz LFRFTSXYPVBENW-UHFFFAOYSA-N 1 2 243.285 2.652 20 30 BFEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC001235667895 979114661 /nfs/dbraw/zinc/11/46/61/979114661.db2.gz UJGJWUXCEIOLEE-IINYFYTJSA-N 1 2 248.276 2.821 20 30 BFEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC001235667895 979114673 /nfs/dbraw/zinc/11/46/73/979114673.db2.gz UJGJWUXCEIOLEE-IINYFYTJSA-N 1 2 248.276 2.821 20 30 BFEDLO C/C(=C\C=C\[NH3+])c1ccc(F)c(C#N)c1 ZINC001235893816 979186447 /nfs/dbraw/zinc/18/64/47/979186447.db2.gz ASIIPEWRCPRLTC-YGQDEOHPSA-N 1 2 202.232 2.573 20 30 BFEDLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C)c1C#N ZINC001236313604 979522204 /nfs/dbraw/zinc/52/22/04/979522204.db2.gz WGCNJDKMQRGAAC-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO Cc1cc(-c2ccc(N)[nH+]c2)cc(F)c1C#N ZINC001236316849 979529236 /nfs/dbraw/zinc/52/92/36/979529236.db2.gz PLKUQZUYTWOKHV-UHFFFAOYSA-N 1 2 227.242 2.650 20 30 BFEDLO N#Cc1cnc2cc(-c3ccc(N)[nH+]c3)ccc2c1 ZINC001236317133 979529905 /nfs/dbraw/zinc/52/99/05/979529905.db2.gz QGRZCDSBNALLQA-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001237324065 979867480 /nfs/dbraw/zinc/86/74/80/979867480.db2.gz ZMGHHFPZXVSZHS-LBPRGKRZSA-N 1 2 232.302 2.788 20 30 BFEDLO Cc1cc(F)cc(C)c1C[N@H+]1CC[C@@H](C#N)C1 ZINC001237324065 979867483 /nfs/dbraw/zinc/86/74/83/979867483.db2.gz ZMGHHFPZXVSZHS-LBPRGKRZSA-N 1 2 232.302 2.788 20 30 BFEDLO COc1c(C)cccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001237505194 979920713 /nfs/dbraw/zinc/92/07/13/979920713.db2.gz DPOHFHHUJIMJNH-HNNXBMFYSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1c(C)cccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001237505194 979920714 /nfs/dbraw/zinc/92/07/14/979920714.db2.gz DPOHFHHUJIMJNH-HNNXBMFYSA-N 1 2 244.338 2.739 20 30 BFEDLO 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Cc1csc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001137158556 984003627 /nfs/dbraw/zinc/00/36/27/984003627.db2.gz YCWAWLYOBQCQQJ-LLVKDONJSA-N 1 2 220.341 2.792 20 30 BFEDLO Cc1csc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001137158556 984003638 /nfs/dbraw/zinc/00/36/38/984003638.db2.gz YCWAWLYOBQCQQJ-LLVKDONJSA-N 1 2 220.341 2.792 20 30 BFEDLO C[C@H]1CC(=O)C=C(c2cccc3[nH+]ccn32)C1 ZINC001242741197 984091051 /nfs/dbraw/zinc/09/10/51/984091051.db2.gz NPDNMPLZCGQKMN-SNVBAGLBSA-N 1 2 226.279 2.717 20 30 BFEDLO C[C@@H]1CC(=O)C=C(c2cc[nH+]c(N(C)C)c2)C1 ZINC001242741320 984092738 /nfs/dbraw/zinc/09/27/38/984092738.db2.gz OGBWFLMRPSHLCJ-JTQLQIEISA-N 1 2 230.311 2.530 20 30 BFEDLO CNc1cc(C2=CC(=O)C[C@H](C)C2)cc[nH+]1 ZINC001242742358 984095575 /nfs/dbraw/zinc/09/55/75/984095575.db2.gz OLNOHHWGODQPFD-SECBINFHSA-N 1 2 216.284 2.506 20 30 BFEDLO Cc1cc(-c2cc[nH+]c(N)c2)ccc1C#N ZINC001242767981 984149919 /nfs/dbraw/zinc/14/99/19/984149919.db2.gz JHSXGASOSKQSDP-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO Cn1c[nH+]cc1-c1ccc2nc(C#N)ccc2c1 ZINC001243069918 984491956 /nfs/dbraw/zinc/49/19/56/984491956.db2.gz NWNMPQWPGRQFMX-UHFFFAOYSA-N 1 2 234.262 2.507 20 30 BFEDLO CCCCCCCCN1CC2(CC[N@@H+]2C)C1 ZINC001275131845 984500933 /nfs/dbraw/zinc/50/09/33/984500933.db2.gz YOCMNCOZPCUJNN-UHFFFAOYSA-N 1 2 224.392 2.737 20 30 BFEDLO CCCCCCCCN1CC2(CC[N@H+]2C)C1 ZINC001275131845 984500947 /nfs/dbraw/zinc/50/09/47/984500947.db2.gz YOCMNCOZPCUJNN-UHFFFAOYSA-N 1 2 224.392 2.737 20 30 BFEDLO COc1ccc(-c2ccc3[nH+]ccn3c2)c(C#N)c1 ZINC001243731874 985252305 /nfs/dbraw/zinc/25/23/05/985252305.db2.gz MIVHLUOAHPRAHA-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO N#C[C@H]1CC=C(c2ccn3cc(N)[nH+]c3c2)CC1 ZINC001243798030 985364576 /nfs/dbraw/zinc/36/45/76/985364576.db2.gz NRUSYZFZDYSXAR-JTQLQIEISA-N 1 2 238.294 2.624 20 30 BFEDLO Cc1cn2cc(-c3ccc(C#N)cc3N)ccc2[nH+]1 ZINC001244089021 985803690 /nfs/dbraw/zinc/80/36/90/985803690.db2.gz QNBKJRCMCZZNAG-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO Cc1c(-c2ccc(N)c(C#N)c2)ccc2[nH+]ccn21 ZINC001244117701 985828160 /nfs/dbraw/zinc/82/81/60/985828160.db2.gz DZPDWLSBHYPHRU-UHFFFAOYSA-N 1 2 248.289 2.764 20 30 BFEDLO CCc1cc(-c2cc[nH+]c(N)c2)ccc1C#N ZINC001244952473 986508908 /nfs/dbraw/zinc/50/89/08/986508908.db2.gz MEQHBDJMYBOTNJ-UHFFFAOYSA-N 1 2 223.279 2.765 20 30 BFEDLO CNc1cc(-c2ccc(CC#N)c(F)c2)cc[nH+]1 ZINC001244972579 986550490 /nfs/dbraw/zinc/55/04/90/986550490.db2.gz HGXVKTVDBLOUCO-UHFFFAOYSA-N 1 2 241.269 2.995 20 30 BFEDLO CNc1cc(-c2ccc(F)c(CC#N)c2)cc[nH+]1 ZINC001244972202 986550937 /nfs/dbraw/zinc/55/09/37/986550937.db2.gz KAFYZLJYTODIKG-UHFFFAOYSA-N 1 2 241.269 2.995 20 30 BFEDLO CC[C@@H](CC#N)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC001255163918 986839091 /nfs/dbraw/zinc/83/90/91/986839091.db2.gz FHZMKTKDNWXOIY-AWEZNQCLSA-N 1 2 244.338 2.746 20 30 BFEDLO CC[C@@H](CC#N)[N@H+]1CCc2cc(OC)ccc2C1 ZINC001255163918 986839094 /nfs/dbraw/zinc/83/90/94/986839094.db2.gz FHZMKTKDNWXOIY-AWEZNQCLSA-N 1 2 244.338 2.746 20 30 BFEDLO 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ZINC001322843113 988392145 /nfs/dbraw/zinc/39/21/45/988392145.db2.gz SMGQMKWENVDAEH-ZDUSSCGKSA-N 1 2 249.358 2.697 20 30 BFEDLO Cc1nnn([NH+]=C[C@@H](C)C2CCCCC2)c1C ZINC001119298263 988898339 /nfs/dbraw/zinc/89/83/39/988898339.db2.gz BSRHDBQAQKEYEW-SNVBAGLBSA-N 1 2 234.347 2.945 20 30 BFEDLO C#CC[N@@H+](CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001324732378 988956030 /nfs/dbraw/zinc/95/60/30/988956030.db2.gz NDAKRHBWTIKINV-NSHDSACASA-N 1 2 248.395 2.723 20 30 BFEDLO C#CC[N@H+](CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001324732378 988956057 /nfs/dbraw/zinc/95/60/57/988956057.db2.gz NDAKRHBWTIKINV-NSHDSACASA-N 1 2 248.395 2.723 20 30 BFEDLO CC(C)=CCC[C@H](C)[NH+]1CC(C)(C#N)C1 ZINC001258085059 990988040 /nfs/dbraw/zinc/98/80/40/990988040.db2.gz FDGDCLRTWVWPHN-LBPRGKRZSA-N 1 2 206.333 2.967 20 30 BFEDLO C=C(C)CCNc1cc(CC)[nH+]c(CC)n1 ZINC001559195099 991047841 /nfs/dbraw/zinc/04/78/41/991047841.db2.gz VUGDEEBYQSOLGY-UHFFFAOYSA-N 1 2 219.332 2.980 20 30 BFEDLO CSCC[C@@H](C)[NH2+][C@](C)(C#N)C(C)C 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991273838 /nfs/dbraw/zinc/27/38/38/991273838.db2.gz UWKNXBFMWZBRKM-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC001560574841 991500919 /nfs/dbraw/zinc/50/09/19/991500919.db2.gz NBSGVCXDTALJCW-QMMMGPOBSA-N 1 2 249.701 2.873 20 30 BFEDLO C[N@H+](Cc1cc2ccccc2[nH]1)CC1(C#N)CC1 ZINC001319656316 991921081 /nfs/dbraw/zinc/92/10/81/991921081.db2.gz DEZNYUYDTCPQTM-UHFFFAOYSA-N 1 2 239.322 2.903 20 30 BFEDLO C[N@@H+](Cc1cc2ccccc2[nH]1)CC1(C#N)CC1 ZINC001319656316 991921091 /nfs/dbraw/zinc/92/10/91/991921091.db2.gz DEZNYUYDTCPQTM-UHFFFAOYSA-N 1 2 239.322 2.903 20 30 BFEDLO C#CCN(CC1CC1)c1cc(C)[nH+]c(C2CC2)n1 ZINC001320249715 992144801 /nfs/dbraw/zinc/14/48/01/992144801.db2.gz RLRWMKHBSAMAIP-UHFFFAOYSA-N 1 2 241.338 2.512 20 30 BFEDLO Cc1c[nH+]cc(C)c1NC(=O)CCCCCC#N ZINC001262805507 993068304 /nfs/dbraw/zinc/06/83/04/993068304.db2.gz TZDSHLPRHYVMJG-UHFFFAOYSA-N 1 2 245.326 2.533 20 30 BFEDLO CC[C@H](C#N)[NH2+]C1CCC(OC(C)C)CC1 ZINC000381495470 993399922 /nfs/dbraw/zinc/39/99/22/993399922.db2.gz AZZSCHHZPCWBOH-PNESKVBLSA-N 1 2 224.348 2.614 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC000389397091 993748725 /nfs/dbraw/zinc/74/87/25/993748725.db2.gz ZOBOUUWZTQJWJC-ZDUSSCGKSA-N 1 2 206.333 2.945 20 30 BFEDLO N#C[C@@H]1CCC[N@H+]1CCC1CCCCC1 ZINC000389397091 993748735 /nfs/dbraw/zinc/74/87/35/993748735.db2.gz ZOBOUUWZTQJWJC-ZDUSSCGKSA-N 1 2 206.333 2.945 20 30 BFEDLO C=C[C@H](COC)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC001333697296 994499324 /nfs/dbraw/zinc/49/93/24/994499324.db2.gz HBVHZBQAPZKYKA-GFCCVEGCSA-N 1 2 247.342 2.665 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000068607813 136209863 /nfs/dbraw/zinc/20/98/63/136209863.db2.gz XGPHOIHMELKLBG-BDAKNGLRSA-N 1 2 224.254 2.918 20 30 BFEDLO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2F)o1 ZINC000135167538 398142091 /nfs/dbraw/zinc/14/20/91/398142091.db2.gz KJXMRWGIIXRLSP-UHFFFAOYSA-N 1 2 248.232 2.719 20 30 BFEDLO C#CCC(C)(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000274268274 398150974 /nfs/dbraw/zinc/15/09/74/398150974.db2.gz AKFDJOOPGHNKID-UHFFFAOYSA-N 1 2 230.311 2.686 20 30 BFEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](CC)O1 ZINC000421382690 192325012 /nfs/dbraw/zinc/32/50/12/192325012.db2.gz CAADJKWMDJMDOD-TXEJJXNPSA-N 1 2 248.326 2.541 20 30 BFEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](CC)O1 ZINC000421382690 192325014 /nfs/dbraw/zinc/32/50/14/192325014.db2.gz CAADJKWMDJMDOD-TXEJJXNPSA-N 1 2 248.326 2.541 20 30 BFEDLO Cc1cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)no1 ZINC000281835509 178228470 /nfs/dbraw/zinc/22/84/70/178228470.db2.gz AHAOXRXFKJZATI-LLVKDONJSA-N 1 2 241.294 2.706 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)s1 ZINC000076342168 398236192 /nfs/dbraw/zinc/23/61/92/398236192.db2.gz BBXBALQLZIPYRP-SECBINFHSA-N 1 2 208.330 2.791 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)s1 ZINC000076342168 398236195 /nfs/dbraw/zinc/23/61/95/398236195.db2.gz BBXBALQLZIPYRP-SECBINFHSA-N 1 2 208.330 2.791 20 30 BFEDLO CC(C)(C#N)CCC[N@@H+]1CCC(F)(F)C1 ZINC000313319539 343992047 /nfs/dbraw/zinc/99/20/47/343992047.db2.gz GUCZZBQKCZYFSF-UHFFFAOYSA-N 1 2 216.275 2.657 20 30 BFEDLO CC(C)(C#N)CCC[N@H+]1CCC(F)(F)C1 ZINC000313319539 343992050 /nfs/dbraw/zinc/99/20/50/343992050.db2.gz GUCZZBQKCZYFSF-UHFFFAOYSA-N 1 2 216.275 2.657 20 30 BFEDLO N#CCC[NH2+]Cc1ccc(Br)s1 ZINC000020199945 398245429 /nfs/dbraw/zinc/24/54/29/398245429.db2.gz GUBLZXALRNAYIB-UHFFFAOYSA-N 1 2 245.145 2.514 20 30 BFEDLO CC[C@@](C)([NH2+]CC1(C#N)CC1)c1nc(C)cs1 ZINC000343302900 136228046 /nfs/dbraw/zinc/22/80/46/136228046.db2.gz NCRRIHKTZHLPCG-GFCCVEGCSA-N 1 2 249.383 2.970 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000185501793 136230466 /nfs/dbraw/zinc/23/04/66/136230466.db2.gz HRHZEJOCBFQRKT-SNVBAGLBSA-N 1 2 218.300 2.931 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000576714221 365666999 /nfs/dbraw/zinc/66/69/99/365666999.db2.gz ALGLTVSRXYDNPG-JTQLQIEISA-N 1 2 247.273 2.749 20 30 BFEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)sn1 ZINC000602462492 349556283 /nfs/dbraw/zinc/55/62/83/349556283.db2.gz NCFQCBKDUVRPHZ-UHFFFAOYSA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)sn1 ZINC000602462492 349556286 /nfs/dbraw/zinc/55/62/86/349556286.db2.gz NCFQCBKDUVRPHZ-UHFFFAOYSA-N 1 2 235.356 2.577 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc2ccccc2n1C ZINC000602462515 349556730 /nfs/dbraw/zinc/55/67/30/349556730.db2.gz NGWMORFSBFODKN-LBPRGKRZSA-N 1 2 241.338 2.912 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc2ccccc2n1C ZINC000602462515 349556734 /nfs/dbraw/zinc/55/67/34/349556734.db2.gz NGWMORFSBFODKN-LBPRGKRZSA-N 1 2 241.338 2.912 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1noc2c1CCCC2 ZINC000181266044 538960538 /nfs/dbraw/zinc/96/05/38/538960538.db2.gz SBCLEAPHDMALJP-UHFFFAOYSA-N 1 2 220.316 2.561 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1noc2c1CCCC2 ZINC000181266044 538960539 /nfs/dbraw/zinc/96/05/39/538960539.db2.gz SBCLEAPHDMALJP-UHFFFAOYSA-N 1 2 220.316 2.561 20 30 BFEDLO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC#N)C1 ZINC000285550210 342719643 /nfs/dbraw/zinc/71/96/43/342719643.db2.gz GKJNBQXZABYKOV-DGCLKSJQSA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC#N)C1 ZINC000285550210 342719644 /nfs/dbraw/zinc/71/96/44/342719644.db2.gz GKJNBQXZABYKOV-DGCLKSJQSA-N 1 2 200.285 2.593 20 30 BFEDLO CC(C)Cc1ncc(C[NH2+]C[C@@H](C)C#N)s1 ZINC000183829888 346859595 /nfs/dbraw/zinc/85/95/95/346859595.db2.gz LNEYHNDOWUAURI-JTQLQIEISA-N 1 2 237.372 2.591 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(F)c2N)C1 ZINC000602610358 349633804 /nfs/dbraw/zinc/63/38/04/349633804.db2.gz TZCPFPCLVKPOPV-CQSZACIVSA-N 1 2 247.317 2.534 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000602610358 349633806 /nfs/dbraw/zinc/63/38/06/349633806.db2.gz TZCPFPCLVKPOPV-CQSZACIVSA-N 1 2 247.317 2.534 20 30 BFEDLO Cc1ccc(C[NH2+]CC(C)(C)C#N)c(F)c1 ZINC000602617684 349639562 /nfs/dbraw/zinc/63/95/62/349639562.db2.gz ZFFWLRHXOWGYPV-UHFFFAOYSA-N 1 2 220.291 2.774 20 30 BFEDLO CC(C)(C[NH+]1CC(C)(C#N)C1)Oc1ccccc1 ZINC000602689793 349670158 /nfs/dbraw/zinc/67/01/58/349670158.db2.gz IIQSIQCNMCRPBT-UHFFFAOYSA-N 1 2 244.338 2.689 20 30 BFEDLO C=C(C)C[C@@H]([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000602732509 349718056 /nfs/dbraw/zinc/71/80/56/349718056.db2.gz QSSVRLYQWUUJFO-CQSZACIVSA-N 1 2 247.338 2.592 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000067446494 362030267 /nfs/dbraw/zinc/03/02/67/362030267.db2.gz FJXOOGZCAPTCJE-QWRGUYRKSA-N 1 2 247.298 2.747 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000067446494 362030270 /nfs/dbraw/zinc/03/02/70/362030270.db2.gz FJXOOGZCAPTCJE-QWRGUYRKSA-N 1 2 247.298 2.747 20 30 BFEDLO C=C(C)CN(CC)c1[nH+]c(C)nc2[nH]ccc21 ZINC000080946770 343119042 /nfs/dbraw/zinc/11/90/42/343119042.db2.gz SFHPEYLBBLNRSU-UHFFFAOYSA-N 1 2 230.315 2.669 20 30 BFEDLO Cc1cc[nH+]cc1NCc1cc(C#N)cs1 ZINC000086573734 136280969 /nfs/dbraw/zinc/28/09/69/136280969.db2.gz LJICPYOWGWDZIB-UHFFFAOYSA-N 1 2 229.308 2.935 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cccc(Cl)c1O ZINC000271766648 136282690 /nfs/dbraw/zinc/28/26/90/136282690.db2.gz DLYCOOCNJCIACQ-UHFFFAOYSA-N 1 2 238.718 2.781 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cccc(Cl)c1O ZINC000271766648 136282691 /nfs/dbraw/zinc/28/26/91/136282691.db2.gz DLYCOOCNJCIACQ-UHFFFAOYSA-N 1 2 238.718 2.781 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000271759238 136282697 /nfs/dbraw/zinc/28/26/97/136282697.db2.gz XYJIEUSXUCRBKB-SECBINFHSA-N 1 2 238.718 2.637 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000271759238 136282698 /nfs/dbraw/zinc/28/26/98/136282698.db2.gz XYJIEUSXUCRBKB-SECBINFHSA-N 1 2 238.718 2.637 20 30 BFEDLO Cc1sccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000295245122 136290443 /nfs/dbraw/zinc/29/04/43/136290443.db2.gz FIQDWMSILQEJST-VIFPVBQESA-N 1 2 208.330 2.791 20 30 BFEDLO Cc1sccc1C[N@H+](C)[C@@H](C)CC#N ZINC000295245122 136290444 /nfs/dbraw/zinc/29/04/44/136290444.db2.gz FIQDWMSILQEJST-VIFPVBQESA-N 1 2 208.330 2.791 20 30 BFEDLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC#N ZINC000296677035 136290951 /nfs/dbraw/zinc/29/09/51/136290951.db2.gz LCJVPGFEJYDSIW-DYEKYZERSA-N 1 2 214.312 2.776 20 30 BFEDLO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CC#N ZINC000296677035 136290952 /nfs/dbraw/zinc/29/09/52/136290952.db2.gz LCJVPGFEJYDSIW-DYEKYZERSA-N 1 2 214.312 2.776 20 30 BFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cncc(F)c1 ZINC000275106082 136285431 /nfs/dbraw/zinc/28/54/31/136285431.db2.gz DZPGZCHIBCAURN-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cncc(F)c1 ZINC000275106082 136285432 /nfs/dbraw/zinc/28/54/32/136285432.db2.gz DZPGZCHIBCAURN-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO C[C@]1(F)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000335667756 136311797 /nfs/dbraw/zinc/31/17/97/136311797.db2.gz KNMQQQLUTNWILB-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000335667756 136311798 /nfs/dbraw/zinc/31/17/98/136311798.db2.gz KNMQQQLUTNWILB-ZDUSSCGKSA-N 1 2 236.265 2.631 20 30 BFEDLO Cc1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC000251002886 343419782 /nfs/dbraw/zinc/41/97/82/343419782.db2.gz MXQWMXVFZPWCPY-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC000251002886 343419783 /nfs/dbraw/zinc/41/97/83/343419783.db2.gz MXQWMXVFZPWCPY-JSGCOSHPSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccon1 ZINC000349245456 136332774 /nfs/dbraw/zinc/33/27/74/136332774.db2.gz RJXGBELCQMMWHB-GHMZBOCLSA-N 1 2 241.294 2.958 20 30 BFEDLO C=CCOCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000292760605 136375769 /nfs/dbraw/zinc/37/57/69/136375769.db2.gz WPHAABYYDWGQBN-UHFFFAOYSA-N 1 2 230.311 2.856 20 30 BFEDLO C[N@H+](CC(F)F)CC(C)(C)CCC#N ZINC000092509294 136376571 /nfs/dbraw/zinc/37/65/71/136376571.db2.gz GYWIMEBTDDDSPM-UHFFFAOYSA-N 1 2 204.264 2.513 20 30 BFEDLO C[N@@H+](CC(F)F)CC(C)(C)CCC#N ZINC000092509294 136376572 /nfs/dbraw/zinc/37/65/72/136376572.db2.gz GYWIMEBTDDDSPM-UHFFFAOYSA-N 1 2 204.264 2.513 20 30 BFEDLO CCN(Cc1c(C)cc(C)[nH+]c1C)[C@@H](C)C#N ZINC000602903853 349817366 /nfs/dbraw/zinc/81/73/66/349817366.db2.gz UFVSJFHLQSLVSJ-LBPRGKRZSA-N 1 2 231.343 2.741 20 30 BFEDLO CCc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)nc1 ZINC000602982006 349832954 /nfs/dbraw/zinc/83/29/54/349832954.db2.gz MIGLOTAXJURKTO-DZGCQCFKSA-N 1 2 243.354 2.768 20 30 BFEDLO CCc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)nc1 ZINC000602982006 349832956 /nfs/dbraw/zinc/83/29/56/349832956.db2.gz MIGLOTAXJURKTO-DZGCQCFKSA-N 1 2 243.354 2.768 20 30 BFEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602974516 349839538 /nfs/dbraw/zinc/83/95/38/349839538.db2.gz PHSDWFAAHHKTRD-UKRRQHHQSA-N 1 2 239.322 2.682 20 30 BFEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602974516 349839544 /nfs/dbraw/zinc/83/95/44/349839544.db2.gz PHSDWFAAHHKTRD-UKRRQHHQSA-N 1 2 239.322 2.682 20 30 BFEDLO Cc1ccnc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602979919 349844326 /nfs/dbraw/zinc/84/43/26/349844326.db2.gz JCLPHECGRAGJRL-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccnc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602979919 349844328 /nfs/dbraw/zinc/84/43/28/349844328.db2.gz JCLPHECGRAGJRL-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccncc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980425 349845269 /nfs/dbraw/zinc/84/52/69/349845269.db2.gz QACHVDNMHXTZMI-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccncc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980425 349845270 /nfs/dbraw/zinc/84/52/70/349845270.db2.gz QACHVDNMHXTZMI-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000334468736 343882809 /nfs/dbraw/zinc/88/28/09/343882809.db2.gz YDXUVVCLDAEWKN-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000334468736 343882812 /nfs/dbraw/zinc/88/28/12/343882812.db2.gz YDXUVVCLDAEWKN-CYBMUJFWSA-N 1 2 236.265 2.631 20 30 BFEDLO Cc1cc(N2CC3(C2)CCCC3)c(C#N)c[nH+]1 ZINC000334579191 343893436 /nfs/dbraw/zinc/89/34/36/343893436.db2.gz NVMCRHMWZFLZLM-UHFFFAOYSA-N 1 2 227.311 2.642 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126096903 344168533 /nfs/dbraw/zinc/16/85/33/344168533.db2.gz QOABIYAORPLSSA-QMMMGPOBSA-N 1 2 216.737 2.855 20 30 BFEDLO C#CC[C@@H]([NH2+]Cc1ncc(C)o1)c1ccccc1 ZINC000271667152 166204964 /nfs/dbraw/zinc/20/49/64/166204964.db2.gz FNVKONREKCKAHV-CQSZACIVSA-N 1 2 240.306 2.837 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(F)cc1 ZINC000042375303 344452171 /nfs/dbraw/zinc/45/21/71/344452171.db2.gz VDITZFBPFIWZKL-JTQLQIEISA-N 1 2 206.264 2.560 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(F)cc1 ZINC000042375303 344452174 /nfs/dbraw/zinc/45/21/74/344452174.db2.gz VDITZFBPFIWZKL-JTQLQIEISA-N 1 2 206.264 2.560 20 30 BFEDLO CC[N@@H+](Cc1ccc(C)o1)C[C@H](C)C#N ZINC000042449559 344454626 /nfs/dbraw/zinc/45/46/26/344454626.db2.gz ADSMNMZZBLPOLP-SNVBAGLBSA-N 1 2 206.289 2.570 20 30 BFEDLO CC[N@H+](Cc1ccc(C)o1)C[C@H](C)C#N ZINC000042449559 344454628 /nfs/dbraw/zinc/45/46/28/344454628.db2.gz ADSMNMZZBLPOLP-SNVBAGLBSA-N 1 2 206.289 2.570 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1cccs1)C1CC1 ZINC000042515800 344456439 /nfs/dbraw/zinc/45/64/39/344456439.db2.gz DNSVURYJYGCONS-SNVBAGLBSA-N 1 2 220.341 2.872 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1cccs1)C1CC1 ZINC000042515800 344456440 /nfs/dbraw/zinc/45/64/40/344456440.db2.gz DNSVURYJYGCONS-SNVBAGLBSA-N 1 2 220.341 2.872 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000263933912 344530919 /nfs/dbraw/zinc/53/09/19/344530919.db2.gz ZIYGBUFFIIPNGW-BDAKNGLRSA-N 1 2 224.254 2.918 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)CC#N)c1c(F)cccc1F ZINC000263933913 344530969 /nfs/dbraw/zinc/53/09/69/344530969.db2.gz ZIYGBUFFIIPNGW-DTWKUNHWSA-N 1 2 224.254 2.918 20 30 BFEDLO C=CCCC[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641480721 362451247 /nfs/dbraw/zinc/45/12/47/362451247.db2.gz QZBNRLFAEZOGMY-NSHDSACASA-N 1 2 220.316 2.731 20 30 BFEDLO Cc1ccc(OC2CC[NH+](CCC#N)CC2)cc1 ZINC000116882746 344737172 /nfs/dbraw/zinc/73/71/72/344737172.db2.gz AHNXWADBNWGDRZ-UHFFFAOYSA-N 1 2 244.338 2.752 20 30 BFEDLO Oc1ccc(/C=[NH+]/C[C@H]2CC=CCC2)c(O)c1O ZINC000121236199 344917517 /nfs/dbraw/zinc/91/75/17/344917517.db2.gz JFZIGLYXKCWUCU-CNOAHFENSA-N 1 2 247.294 2.579 20 30 BFEDLO C#CCCC[NH2+]c1ccc(OCC)cc1 ZINC000161054510 345228897 /nfs/dbraw/zinc/22/88/97/345228897.db2.gz MBVJVPFXFDFETB-UHFFFAOYSA-N 1 2 203.285 2.911 20 30 BFEDLO N#CCCCC[NH2+]Cc1cccc(Cl)c1O ZINC000133130035 345361671 /nfs/dbraw/zinc/36/16/71/345361671.db2.gz MWFKXHQTYCMHTK-UHFFFAOYSA-N 1 2 238.718 2.829 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000132289027 345325560 /nfs/dbraw/zinc/32/55/60/345325560.db2.gz UQEQTACGJQVVIY-MRVPVSSYSA-N 1 2 242.244 2.838 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000132289027 345325562 /nfs/dbraw/zinc/32/55/62/345325562.db2.gz UQEQTACGJQVVIY-MRVPVSSYSA-N 1 2 242.244 2.838 20 30 BFEDLO CC[N@@H+](Cc1ccc(Cl)o1)C[C@H](C)C#N ZINC000091982225 345614002 /nfs/dbraw/zinc/61/40/02/345614002.db2.gz NSLLMHUDHUEZLO-SECBINFHSA-N 1 2 226.707 2.915 20 30 BFEDLO CC[N@H+](Cc1ccc(Cl)o1)C[C@H](C)C#N ZINC000091982225 345614003 /nfs/dbraw/zinc/61/40/03/345614003.db2.gz NSLLMHUDHUEZLO-SECBINFHSA-N 1 2 226.707 2.915 20 30 BFEDLO N#CCc1cc[nH+]c(NCc2ccsc2)c1 ZINC000381537666 346295078 /nfs/dbraw/zinc/29/50/78/346295078.db2.gz GJRLZJJXRDAUJH-UHFFFAOYSA-N 1 2 229.308 2.821 20 30 BFEDLO CCc1nc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)cs1 ZINC000574929696 346418095 /nfs/dbraw/zinc/41/80/95/346418095.db2.gz OOKYTNGCWWFADE-CMPLNLGQSA-N 1 2 249.383 2.830 20 30 BFEDLO CCc1nc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cs1 ZINC000574929696 346418098 /nfs/dbraw/zinc/41/80/98/346418098.db2.gz OOKYTNGCWWFADE-CMPLNLGQSA-N 1 2 249.383 2.830 20 30 BFEDLO N#CC1(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000381800359 346443042 /nfs/dbraw/zinc/44/30/42/346443042.db2.gz DBNFKENZTAXWDP-UHFFFAOYSA-N 1 2 238.693 2.872 20 30 BFEDLO CCC[N@@H+](CC#N)CCCc1ccccc1OC ZINC000182491517 347096916 /nfs/dbraw/zinc/09/69/16/347096916.db2.gz KALRINGZXSKEHN-UHFFFAOYSA-N 1 2 246.354 2.863 20 30 BFEDLO CCC[N@H+](CC#N)CCCc1ccccc1OC ZINC000182491517 347096920 /nfs/dbraw/zinc/09/69/20/347096920.db2.gz KALRINGZXSKEHN-UHFFFAOYSA-N 1 2 246.354 2.863 20 30 BFEDLO N#CC[N@H+](CCCC1CCCC1)C1CC1 ZINC000361565104 346589823 /nfs/dbraw/zinc/58/98/23/346589823.db2.gz LJFHEYRSVLVTKQ-UHFFFAOYSA-N 1 2 206.333 2.945 20 30 BFEDLO N#CC[N@@H+](CCCC1CCCC1)C1CC1 ZINC000361565104 346589824 /nfs/dbraw/zinc/58/98/24/346589824.db2.gz LJFHEYRSVLVTKQ-UHFFFAOYSA-N 1 2 206.333 2.945 20 30 BFEDLO C[C@@H](CCC#N)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000589822194 346739369 /nfs/dbraw/zinc/73/93/69/346739369.db2.gz KPXXTNULKWIAIC-QWHCGFSZSA-N 1 2 233.359 2.940 20 30 BFEDLO C[C@@H](CCC#N)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000589822194 346739371 /nfs/dbraw/zinc/73/93/71/346739371.db2.gz KPXXTNULKWIAIC-QWHCGFSZSA-N 1 2 233.359 2.940 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1sccc1Cl ZINC000308228223 346753723 /nfs/dbraw/zinc/75/37/23/346753723.db2.gz FRAOFTSYNOBLMQ-ZETCQYMHSA-N 1 2 214.721 2.793 20 30 BFEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCC#N ZINC000182834775 347108544 /nfs/dbraw/zinc/10/85/44/347108544.db2.gz BMQUKSJNIRBQKI-NSHDSACASA-N 1 2 247.298 2.810 20 30 BFEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCC#N ZINC000182834775 347108546 /nfs/dbraw/zinc/10/85/46/347108546.db2.gz BMQUKSJNIRBQKI-NSHDSACASA-N 1 2 247.298 2.810 20 30 BFEDLO CCc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)nc1 ZINC000590173265 346787035 /nfs/dbraw/zinc/78/70/35/346787035.db2.gz YWZHHDURGSXJEV-OAHLLOKOSA-N 1 2 243.354 2.770 20 30 BFEDLO CCc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)nc1 ZINC000590173265 346787039 /nfs/dbraw/zinc/78/70/39/346787039.db2.gz YWZHHDURGSXJEV-OAHLLOKOSA-N 1 2 243.354 2.770 20 30 BFEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1nc(C)cs1 ZINC000310023366 347219492 /nfs/dbraw/zinc/21/94/92/347219492.db2.gz OHRWDXPPGYAXDZ-SNVBAGLBSA-N 1 2 235.356 2.796 20 30 BFEDLO CCc1ccccc1C[N@H+](C)CCC#N ZINC000189093428 347296075 /nfs/dbraw/zinc/29/60/75/347296075.db2.gz MUPZZKDBBAGGCO-UHFFFAOYSA-N 1 2 202.301 2.594 20 30 BFEDLO CCc1ccccc1C[N@@H+](C)CCC#N ZINC000189093428 347296080 /nfs/dbraw/zinc/29/60/80/347296080.db2.gz MUPZZKDBBAGGCO-UHFFFAOYSA-N 1 2 202.301 2.594 20 30 BFEDLO CCS[C@@H]1CCCC[N@@H+](C(C)(C)C#N)C1 ZINC000161070175 323145682 /nfs/dbraw/zinc/14/56/82/323145682.db2.gz OYHDZYQIMZZHHY-LLVKDONJSA-N 1 2 226.389 2.896 20 30 BFEDLO CCS[C@@H]1CCCC[N@H+](C(C)(C)C#N)C1 ZINC000161070175 323145683 /nfs/dbraw/zinc/14/56/83/323145683.db2.gz OYHDZYQIMZZHHY-LLVKDONJSA-N 1 2 226.389 2.896 20 30 BFEDLO C=C[C@@H]([NH2+][C@H](CCC)C(C)(C)C)C(=O)OC ZINC000591242774 347632969 /nfs/dbraw/zinc/63/29/69/347632969.db2.gz FOYPAXPRTKCWHU-GHMZBOCLSA-N 1 2 227.348 2.518 20 30 BFEDLO Cc1occc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000591260715 347635533 /nfs/dbraw/zinc/63/55/33/347635533.db2.gz MSGVECACBALDNO-CYBMUJFWSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1occc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000591260715 347635535 /nfs/dbraw/zinc/63/55/35/347635535.db2.gz MSGVECACBALDNO-CYBMUJFWSA-N 1 2 218.300 2.714 20 30 BFEDLO N#CC1(CCOCc2[nH]cc[nH+]2)CCCCC1 ZINC000591371726 347649389 /nfs/dbraw/zinc/64/93/89/347649389.db2.gz YBIHRLLMQGCPKL-UHFFFAOYSA-N 1 2 233.315 2.790 20 30 BFEDLO C=C[C@@H]([NH2+][C@@H](CCC)C1CCCC1)C(=O)OC ZINC000591377343 347651039 /nfs/dbraw/zinc/65/10/39/347651039.db2.gz PGJGDCJOTCFOCV-OLZOCXBDSA-N 1 2 239.359 2.663 20 30 BFEDLO CSc1ccc[nH+]c1N[C@H]1CC[C@H](C#N)C1 ZINC000593679851 347932467 /nfs/dbraw/zinc/93/24/67/347932467.db2.gz DFJQKMZGWAXBGC-UWVGGRQHSA-N 1 2 233.340 2.908 20 30 BFEDLO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C#N)c1ccccc1 ZINC000595297785 348217229 /nfs/dbraw/zinc/21/72/29/348217229.db2.gz OQOAFEKQMKGNKW-ZFWWWQNUSA-N 1 2 244.338 2.610 20 30 BFEDLO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C#N)c1ccccc1 ZINC000595297785 348217231 /nfs/dbraw/zinc/21/72/31/348217231.db2.gz OQOAFEKQMKGNKW-ZFWWWQNUSA-N 1 2 244.338 2.610 20 30 BFEDLO CC[C@@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595338159 348220751 /nfs/dbraw/zinc/22/07/51/348220751.db2.gz GFIBORJTKJBKHS-OCCSQVGLSA-N 1 2 214.312 2.983 20 30 BFEDLO CC[C@@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595338159 348220753 /nfs/dbraw/zinc/22/07/53/348220753.db2.gz GFIBORJTKJBKHS-OCCSQVGLSA-N 1 2 214.312 2.983 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccn(C)n1 ZINC000595090662 348191102 /nfs/dbraw/zinc/19/11/02/348191102.db2.gz KMDZLMJRDYPMCF-GFCCVEGCSA-N 1 2 246.358 2.545 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1nccn1C ZINC000595089974 348191284 /nfs/dbraw/zinc/19/12/84/348191284.db2.gz AZHCTUOMJSYKOB-LBPRGKRZSA-N 1 2 246.358 2.545 20 30 BFEDLO C=CCCCC(=O)Nc1cc[nH+]cc1C ZINC000175599215 187390942 /nfs/dbraw/zinc/39/09/42/187390942.db2.gz ZREHIHZKOBUOEU-UHFFFAOYSA-N 1 2 204.273 2.685 20 30 BFEDLO N#C[C@@]1(F)CC[N@H+](CCCC2CCC2)C1 ZINC000595455705 348254604 /nfs/dbraw/zinc/25/46/04/348254604.db2.gz PDWYWJGIMFUBSQ-LBPRGKRZSA-N 1 2 210.296 2.504 20 30 BFEDLO N#C[C@@]1(F)CC[N@@H+](CCCC2CCC2)C1 ZINC000595455705 348254607 /nfs/dbraw/zinc/25/46/07/348254607.db2.gz PDWYWJGIMFUBSQ-LBPRGKRZSA-N 1 2 210.296 2.504 20 30 BFEDLO N#C[C@]1(F)CC[N@H+](CCCC2CCC2)C1 ZINC000595455702 348254663 /nfs/dbraw/zinc/25/46/63/348254663.db2.gz PDWYWJGIMFUBSQ-GFCCVEGCSA-N 1 2 210.296 2.504 20 30 BFEDLO N#C[C@]1(F)CC[N@@H+](CCCC2CCC2)C1 ZINC000595455702 348254664 /nfs/dbraw/zinc/25/46/64/348254664.db2.gz PDWYWJGIMFUBSQ-GFCCVEGCSA-N 1 2 210.296 2.504 20 30 BFEDLO CC1(C)CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595330886 348227987 /nfs/dbraw/zinc/22/79/87/348227987.db2.gz QJIMEXOFOMQSIC-ZDUSSCGKSA-N 1 2 214.312 2.983 20 30 BFEDLO CC1(C)CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595330886 348227989 /nfs/dbraw/zinc/22/79/89/348227989.db2.gz QJIMEXOFOMQSIC-ZDUSSCGKSA-N 1 2 214.312 2.983 20 30 BFEDLO C[C@@H]1C[NH+]([C@@H](C#N)c2ccccc2)C[C@H]1C ZINC000595332507 348228996 /nfs/dbraw/zinc/22/89/96/348228996.db2.gz GPPMJPMFOSBVHH-BZPMIXESSA-N 1 2 214.312 2.839 20 30 BFEDLO C[C@@H]1CC[N@H+]([C@H](C#N)c2ccccc2)[C@H]1C ZINC000595349177 348236902 /nfs/dbraw/zinc/23/69/02/348236902.db2.gz ZUAQQMABURPXOZ-MBNYWOFBSA-N 1 2 214.312 2.982 20 30 BFEDLO C[C@@H]1CC[N@@H+]([C@H](C#N)c2ccccc2)[C@H]1C ZINC000595349177 348236904 /nfs/dbraw/zinc/23/69/04/348236904.db2.gz ZUAQQMABURPXOZ-MBNYWOFBSA-N 1 2 214.312 2.982 20 30 BFEDLO C[N@H+](Cc1cc(C2CC2)no1)CC(C)(C)C#N ZINC000595503271 348264546 /nfs/dbraw/zinc/26/45/46/348264546.db2.gz ZNMSMOIDTHUXPM-UHFFFAOYSA-N 1 2 233.315 2.534 20 30 BFEDLO C[N@@H+](Cc1cc(C2CC2)no1)CC(C)(C)C#N ZINC000595503271 348264548 /nfs/dbraw/zinc/26/45/48/348264548.db2.gz ZNMSMOIDTHUXPM-UHFFFAOYSA-N 1 2 233.315 2.534 20 30 BFEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1cnc[nH]1 ZINC000595591403 348277688 /nfs/dbraw/zinc/27/76/88/348277688.db2.gz GTDPNDBNWMORET-UHFFFAOYSA-N 1 2 246.358 2.706 20 30 BFEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1cnc[nH]1 ZINC000595591403 348277689 /nfs/dbraw/zinc/27/76/89/348277689.db2.gz GTDPNDBNWMORET-UHFFFAOYSA-N 1 2 246.358 2.706 20 30 BFEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1c[nH]cn1 ZINC000595591403 348277690 /nfs/dbraw/zinc/27/76/90/348277690.db2.gz GTDPNDBNWMORET-UHFFFAOYSA-N 1 2 246.358 2.706 20 30 BFEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1c[nH]cn1 ZINC000595591403 348277692 /nfs/dbraw/zinc/27/76/92/348277692.db2.gz GTDPNDBNWMORET-UHFFFAOYSA-N 1 2 246.358 2.706 20 30 BFEDLO C[C@@H](C#N)[N@H+](CC12CCC(CC1)C2)C1CC1 ZINC000595709113 348320490 /nfs/dbraw/zinc/32/04/90/348320490.db2.gz DGAVGOJLVPFYFQ-DCBWTQNWSA-N 1 2 218.344 2.943 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CC12CCC(CC1)C2)C1CC1 ZINC000595709113 348320492 /nfs/dbraw/zinc/32/04/92/348320492.db2.gz DGAVGOJLVPFYFQ-DCBWTQNWSA-N 1 2 218.344 2.943 20 30 BFEDLO C[C@H](C#N)[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000595710840 348323522 /nfs/dbraw/zinc/32/35/22/348323522.db2.gz SJDDPYNECZARBG-FVCCEPFGSA-N 1 2 218.344 2.799 20 30 BFEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000595710840 348323525 /nfs/dbraw/zinc/32/35/25/348323525.db2.gz SJDDPYNECZARBG-FVCCEPFGSA-N 1 2 218.344 2.799 20 30 BFEDLO CC[N@H+](CCCOc1ccccc1)[C@@H](C)C#N ZINC000595813295 348352428 /nfs/dbraw/zinc/35/24/28/348352428.db2.gz RKWKHVOYKIQIHE-ZDUSSCGKSA-N 1 2 232.327 2.689 20 30 BFEDLO CC[N@@H+](CCCOc1ccccc1)[C@@H](C)C#N ZINC000595813295 348352430 /nfs/dbraw/zinc/35/24/30/348352430.db2.gz RKWKHVOYKIQIHE-ZDUSSCGKSA-N 1 2 232.327 2.689 20 30 BFEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1C#N ZINC000595843723 348381142 /nfs/dbraw/zinc/38/11/42/348381142.db2.gz MVHFNSYLYAQJQG-OAHLLOKOSA-N 1 2 239.322 2.602 20 30 BFEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1C#N ZINC000595843723 348381143 /nfs/dbraw/zinc/38/11/43/348381143.db2.gz MVHFNSYLYAQJQG-OAHLLOKOSA-N 1 2 239.322 2.602 20 30 BFEDLO CC[N@H+](CCCCC(F)(F)F)[C@@H](C)C#N ZINC000595819519 348360096 /nfs/dbraw/zinc/36/00/96/348360096.db2.gz CEKFCGCQDVDHRI-VIFPVBQESA-N 1 2 222.254 2.953 20 30 BFEDLO CC[N@@H+](CCCCC(F)(F)F)[C@@H](C)C#N ZINC000595819519 348360100 /nfs/dbraw/zinc/36/01/00/348360100.db2.gz CEKFCGCQDVDHRI-VIFPVBQESA-N 1 2 222.254 2.953 20 30 BFEDLO CC[N@H+](CCCCC(F)(F)F)[C@H](C)C#N ZINC000595819518 348360189 /nfs/dbraw/zinc/36/01/89/348360189.db2.gz CEKFCGCQDVDHRI-SECBINFHSA-N 1 2 222.254 2.953 20 30 BFEDLO CC[N@@H+](CCCCC(F)(F)F)[C@H](C)C#N ZINC000595819518 348360193 /nfs/dbraw/zinc/36/01/93/348360193.db2.gz CEKFCGCQDVDHRI-SECBINFHSA-N 1 2 222.254 2.953 20 30 BFEDLO CC[N@H+](CCCCOC(C)(C)C)[C@@H](C)C#N ZINC000595820608 348361589 /nfs/dbraw/zinc/36/15/89/348361589.db2.gz NGXSEFYYLOVHPP-LBPRGKRZSA-N 1 2 226.364 2.816 20 30 BFEDLO CC[N@@H+](CCCCOC(C)(C)C)[C@@H](C)C#N ZINC000595820608 348361591 /nfs/dbraw/zinc/36/15/91/348361591.db2.gz NGXSEFYYLOVHPP-LBPRGKRZSA-N 1 2 226.364 2.816 20 30 BFEDLO CC[N@H+](CC12CCC(CC1)C2)[C@H](C)C#N ZINC000595820743 348362445 /nfs/dbraw/zinc/36/24/45/348362445.db2.gz PGQOEWIKWVXRND-PNESKVBLSA-N 1 2 206.333 2.801 20 30 BFEDLO CC[N@@H+](CC12CCC(CC1)C2)[C@H](C)C#N ZINC000595820743 348362448 /nfs/dbraw/zinc/36/24/48/348362448.db2.gz PGQOEWIKWVXRND-PNESKVBLSA-N 1 2 206.333 2.801 20 30 BFEDLO CC[N@H+](CCCCC1CCOCC1)[C@H](C)C#N ZINC000595821388 348363222 /nfs/dbraw/zinc/36/32/22/348363222.db2.gz VCJWQGFMPIBGMY-CYBMUJFWSA-N 1 2 238.375 2.817 20 30 BFEDLO CC[N@@H+](CCCCC1CCOCC1)[C@H](C)C#N ZINC000595821388 348363224 /nfs/dbraw/zinc/36/32/24/348363224.db2.gz VCJWQGFMPIBGMY-CYBMUJFWSA-N 1 2 238.375 2.817 20 30 BFEDLO C=CCOCCSCc1c[nH+]ccc1OC ZINC000419499408 192137269 /nfs/dbraw/zinc/13/72/69/192137269.db2.gz XYUQNKVBMCPURX-UHFFFAOYSA-N 1 2 239.340 2.526 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000597081659 348658641 /nfs/dbraw/zinc/65/86/41/348658641.db2.gz CIFXWKNSZDEJGP-SNVBAGLBSA-N 1 2 248.301 2.616 20 30 BFEDLO COCc1csc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000596994564 348640418 /nfs/dbraw/zinc/64/04/18/348640418.db2.gz DGVWFJDSHXDIAG-JTQLQIEISA-N 1 2 238.356 2.628 20 30 BFEDLO COCc1csc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000596994564 348640422 /nfs/dbraw/zinc/64/04/22/348640422.db2.gz DGVWFJDSHXDIAG-JTQLQIEISA-N 1 2 238.356 2.628 20 30 BFEDLO CCc1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597177882 348670056 /nfs/dbraw/zinc/67/00/56/348670056.db2.gz RQQLWDVLXMYKNG-NSHDSACASA-N 1 2 249.383 2.831 20 30 BFEDLO CCc1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597177882 348670059 /nfs/dbraw/zinc/67/00/59/348670059.db2.gz RQQLWDVLXMYKNG-NSHDSACASA-N 1 2 249.383 2.831 20 30 BFEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1F ZINC000597228830 348696914 /nfs/dbraw/zinc/69/69/14/348696914.db2.gz HCXJPKXCRVHIHW-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1F ZINC000597228830 348696916 /nfs/dbraw/zinc/69/69/16/348696916.db2.gz HCXJPKXCRVHIHW-CQSZACIVSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230841 348698726 /nfs/dbraw/zinc/69/87/26/348698726.db2.gz JJSUAHQJVFBAGX-CQSZACIVSA-N 1 2 246.358 2.508 20 30 BFEDLO Cc1nn(C(C)C)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230841 348698730 /nfs/dbraw/zinc/69/87/30/348698730.db2.gz JJSUAHQJVFBAGX-CQSZACIVSA-N 1 2 246.358 2.508 20 30 BFEDLO COc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1F ZINC000597232668 348699589 /nfs/dbraw/zinc/69/95/89/348699589.db2.gz VBVQMWICTDCKRG-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO COc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1F ZINC000597232668 348699593 /nfs/dbraw/zinc/69/95/93/348699593.db2.gz VBVQMWICTDCKRG-AWEZNQCLSA-N 1 2 248.301 2.570 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1c(F)cccc1Cl ZINC000308844091 348851862 /nfs/dbraw/zinc/85/18/62/348851862.db2.gz LJKKBNLAQZFFLN-MRVPVSSYSA-N 1 2 226.682 2.871 20 30 BFEDLO CC1(C#N)CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000598602117 349006118 /nfs/dbraw/zinc/00/61/18/349006118.db2.gz HSJXXAVLLVOQSQ-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO Cc1cc(NC[C@@H]2CCCC23CC3)c(C#N)c[nH+]1 ZINC000599198759 349116653 /nfs/dbraw/zinc/11/66/53/349116653.db2.gz QZPLSBLRVULINL-ZDUSSCGKSA-N 1 2 241.338 2.676 20 30 BFEDLO N#CCC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599691430 349245457 /nfs/dbraw/zinc/24/54/57/349245457.db2.gz BRTSSFWYBCJRMA-UHFFFAOYSA-N 1 2 236.265 2.847 20 30 BFEDLO N#CCC[C@@H](C#N)C[NH+]1CC(c2ccccc2)C1 ZINC000601963571 349403103 /nfs/dbraw/zinc/40/31/03/349403103.db2.gz JZLKYDAGHVTVDK-ZDUSSCGKSA-N 1 2 239.322 2.529 20 30 BFEDLO Cc1[nH+]ccc(NC[C@H](C)C#N)c1Cl ZINC000306228118 180199978 /nfs/dbraw/zinc/19/99/78/180199978.db2.gz HVBAKNXXKIFVLG-SSDOTTSWSA-N 1 2 209.680 2.615 20 30 BFEDLO Cc1[nH+]ccc(NC[C@@H](C)C#N)c1Cl ZINC000306228120 180200471 /nfs/dbraw/zinc/20/04/71/180200471.db2.gz HVBAKNXXKIFVLG-ZETCQYMHSA-N 1 2 209.680 2.615 20 30 BFEDLO C=CCC[C@H]([NH2+]Cc1nccn1C)c1ccco1 ZINC000428232591 191107724 /nfs/dbraw/zinc/10/77/24/191107724.db2.gz UZVLMSJEJGDFSO-LBPRGKRZSA-N 1 2 245.326 2.810 20 30 BFEDLO N#Cc1csc(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000309527884 350701861 /nfs/dbraw/zinc/70/18/61/350701861.db2.gz COBULUWGKQAVHQ-SNVBAGLBSA-N 1 2 242.294 2.897 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000397585808 350930478 /nfs/dbraw/zinc/93/04/78/350930478.db2.gz AJVCLQUDQNXRLV-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000397585808 350930481 /nfs/dbraw/zinc/93/04/81/350930481.db2.gz AJVCLQUDQNXRLV-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO CC(C)n1c[nH+]cc1CNc1ccccc1C#N ZINC000090207545 363023526 /nfs/dbraw/zinc/02/35/26/363023526.db2.gz DSRUVRXNDWWFMD-UHFFFAOYSA-N 1 2 240.310 2.948 20 30 BFEDLO CCOc1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000271115840 351402568 /nfs/dbraw/zinc/40/25/68/351402568.db2.gz FERXHHPOSCTKGI-GFCCVEGCSA-N 1 2 232.327 2.677 20 30 BFEDLO CCOc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000271115840 351402572 /nfs/dbraw/zinc/40/25/72/351402572.db2.gz FERXHHPOSCTKGI-GFCCVEGCSA-N 1 2 232.327 2.677 20 30 BFEDLO C=C(C)[C@@H]1OCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000281985500 351919294 /nfs/dbraw/zinc/91/92/94/351919294.db2.gz ZLVYNDQUIXPCKU-BBMVZGOISA-N 1 2 245.322 2.792 20 30 BFEDLO C[C@@H]1CC(CC[N@H+](C)CC#N)C[C@@H](C)C1 ZINC000089122805 351924478 /nfs/dbraw/zinc/92/44/78/351924478.db2.gz VHYDJEXFGAFYJZ-RYUDHWBXSA-N 1 2 208.349 2.904 20 30 BFEDLO C[C@@H]1CC(CC[N@@H+](C)CC#N)C[C@@H](C)C1 ZINC000089122805 351924483 /nfs/dbraw/zinc/92/44/83/351924483.db2.gz VHYDJEXFGAFYJZ-RYUDHWBXSA-N 1 2 208.349 2.904 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cn(C(C)C)nc1C ZINC000281614247 351900467 /nfs/dbraw/zinc/90/04/67/351900467.db2.gz NEBJPSMFXKBPRA-UHFFFAOYSA-N 1 2 234.347 2.508 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cn(C(C)C)nc1C ZINC000281614247 351900470 /nfs/dbraw/zinc/90/04/70/351900470.db2.gz NEBJPSMFXKBPRA-UHFFFAOYSA-N 1 2 234.347 2.508 20 30 BFEDLO CC#CC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000339762012 191147377 /nfs/dbraw/zinc/14/73/77/191147377.db2.gz WCIOBHSBROFWLZ-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000339762012 191147381 /nfs/dbraw/zinc/14/73/81/191147381.db2.gz WCIOBHSBROFWLZ-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cc(-c2ccccc2)on1 ZINC000285152826 352025704 /nfs/dbraw/zinc/02/57/04/352025704.db2.gz UGOYAMKMQZCGBE-UHFFFAOYSA-N 1 2 240.306 2.797 20 30 BFEDLO C#CC[N@H+](CC)Cc1cc(-c2ccccc2)on1 ZINC000285152826 352025706 /nfs/dbraw/zinc/02/57/06/352025706.db2.gz UGOYAMKMQZCGBE-UHFFFAOYSA-N 1 2 240.306 2.797 20 30 BFEDLO CCc1c[nH+]ccc1NC(=O)[C@](C)(C#N)CC ZINC000285350384 352037949 /nfs/dbraw/zinc/03/79/49/352037949.db2.gz AUOAFDULNHPKKU-ZDUSSCGKSA-N 1 2 231.299 2.522 20 30 BFEDLO N#CCC[N@@H+](CCCCF)Cc1ccco1 ZINC000286297897 352084333 /nfs/dbraw/zinc/08/43/33/352084333.db2.gz GKGFKBPADCSKEN-UHFFFAOYSA-N 1 2 224.279 2.745 20 30 BFEDLO N#CCC[N@H+](CCCCF)Cc1ccco1 ZINC000286297897 352084336 /nfs/dbraw/zinc/08/43/36/352084336.db2.gz GKGFKBPADCSKEN-UHFFFAOYSA-N 1 2 224.279 2.745 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1ccccc1OC1CC1 ZINC000290178817 352213311 /nfs/dbraw/zinc/21/33/11/352213311.db2.gz YYQLIECMSITDEU-GFCCVEGCSA-N 1 2 244.338 2.962 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000290178817 352213315 /nfs/dbraw/zinc/21/33/15/352213315.db2.gz YYQLIECMSITDEU-GFCCVEGCSA-N 1 2 244.338 2.962 20 30 BFEDLO C=CC[NH+](CC=C)[C@H](CC)C(=O)OC(C)(C)C ZINC000411165546 191165604 /nfs/dbraw/zinc/16/56/04/191165604.db2.gz PTVWOSJBHRXHGQ-GFCCVEGCSA-N 1 2 239.359 2.781 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCc1ccc(OC)cc1 ZINC000292041295 352299242 /nfs/dbraw/zinc/29/92/42/352299242.db2.gz ANVKQWHHPHBYCQ-UHFFFAOYSA-N 1 2 244.338 2.639 20 30 BFEDLO C=CC[N@H+](CCC#N)CCc1ccc(OC)cc1 ZINC000292041295 352299244 /nfs/dbraw/zinc/29/92/44/352299244.db2.gz ANVKQWHHPHBYCQ-UHFFFAOYSA-N 1 2 244.338 2.639 20 30 BFEDLO CCC[N@H+](CC(F)F)[C@@H]1CC[C@H](C#N)C1 ZINC000411228665 191170532 /nfs/dbraw/zinc/17/05/32/191170532.db2.gz RKYRQOGXXNTBRI-VHSXEESVSA-N 1 2 216.275 2.656 20 30 BFEDLO CCC[N@@H+](CC(F)F)[C@@H]1CC[C@H](C#N)C1 ZINC000411228665 191170534 /nfs/dbraw/zinc/17/05/34/191170534.db2.gz RKYRQOGXXNTBRI-VHSXEESVSA-N 1 2 216.275 2.656 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCc1ccc(C)cc1 ZINC000292258071 352310567 /nfs/dbraw/zinc/31/05/67/352310567.db2.gz RFSKLOVYYMXPFN-UHFFFAOYSA-N 1 2 228.339 2.939 20 30 BFEDLO C=CC[N@H+](CCC#N)CCc1ccc(C)cc1 ZINC000292258071 352310569 /nfs/dbraw/zinc/31/05/69/352310569.db2.gz RFSKLOVYYMXPFN-UHFFFAOYSA-N 1 2 228.339 2.939 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCc1ccccc1F ZINC000292286834 352312310 /nfs/dbraw/zinc/31/23/10/352312310.db2.gz TYJHSSDCBJNLIM-UHFFFAOYSA-N 1 2 232.302 2.770 20 30 BFEDLO C=CC[N@H+](CCC#N)CCc1ccccc1F ZINC000292286834 352312315 /nfs/dbraw/zinc/31/23/15/352312315.db2.gz TYJHSSDCBJNLIM-UHFFFAOYSA-N 1 2 232.302 2.770 20 30 BFEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1cc[nH]n1 ZINC000411255596 191171798 /nfs/dbraw/zinc/17/17/98/191171798.db2.gz HATCWRUIDJDJSI-UHFFFAOYSA-N 1 2 246.358 2.706 20 30 BFEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1cc[nH]n1 ZINC000411255596 191171799 /nfs/dbraw/zinc/17/17/99/191171799.db2.gz HATCWRUIDJDJSI-UHFFFAOYSA-N 1 2 246.358 2.706 20 30 BFEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000411637549 191201866 /nfs/dbraw/zinc/20/18/66/191201866.db2.gz YWEZVJGTJBCUMO-UWVGGRQHSA-N 1 2 216.275 2.656 20 30 BFEDLO C[C@@H](CCC#N)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000411637549 191201868 /nfs/dbraw/zinc/20/18/68/191201868.db2.gz YWEZVJGTJBCUMO-UWVGGRQHSA-N 1 2 216.275 2.656 20 30 BFEDLO C=CCCN1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000411983495 191236564 /nfs/dbraw/zinc/23/65/64/191236564.db2.gz MCTVZVLMCHNKJT-OAHLLOKOSA-N 1 2 244.382 2.769 20 30 BFEDLO N#CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334215414 352815112 /nfs/dbraw/zinc/81/51/12/352815112.db2.gz FBPLDQYXYPEOLN-SNVBAGLBSA-N 1 2 246.276 2.955 20 30 BFEDLO N#CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334215414 352815114 /nfs/dbraw/zinc/81/51/14/352815114.db2.gz FBPLDQYXYPEOLN-SNVBAGLBSA-N 1 2 246.276 2.955 20 30 BFEDLO C#CC[C@H]([NH2+]Cc1ncc(C)o1)c1ccccc1 ZINC000271667148 188090040 /nfs/dbraw/zinc/09/00/40/188090040.db2.gz FNVKONREKCKAHV-AWEZNQCLSA-N 1 2 240.306 2.837 20 30 BFEDLO C=C(C)C[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000126115861 353219456 /nfs/dbraw/zinc/21/94/56/353219456.db2.gz SWIKFWSZDRIFTI-CYBMUJFWSA-N 1 2 235.327 2.791 20 30 BFEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000126115861 353219459 /nfs/dbraw/zinc/21/94/59/353219459.db2.gz SWIKFWSZDRIFTI-CYBMUJFWSA-N 1 2 235.327 2.791 20 30 BFEDLO N#Cc1ccc(SCCn2cc[nH+]c2)c(F)c1 ZINC000342209146 188218889 /nfs/dbraw/zinc/21/88/89/188218889.db2.gz WGQCHFPZNZTGCQ-UHFFFAOYSA-N 1 2 247.298 2.686 20 30 BFEDLO C=CC[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000127140204 353263725 /nfs/dbraw/zinc/26/37/25/353263725.db2.gz MVSNDRQDZMUQRG-UHFFFAOYSA-N 1 2 208.305 2.590 20 30 BFEDLO C=CC[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000127140204 353263727 /nfs/dbraw/zinc/26/37/27/353263727.db2.gz MVSNDRQDZMUQRG-UHFFFAOYSA-N 1 2 208.305 2.590 20 30 BFEDLO C=C(CC)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC000336771642 353313813 /nfs/dbraw/zinc/31/38/13/353313813.db2.gz UWNNZRUPIJEMBH-NWDGAFQWSA-N 1 2 227.348 2.520 20 30 BFEDLO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)o1 ZINC000336772270 353319936 /nfs/dbraw/zinc/31/99/36/353319936.db2.gz XZUGEMUWFAFYFJ-SNVBAGLBSA-N 1 2 204.273 2.542 20 30 BFEDLO C#CCCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000130512427 353353823 /nfs/dbraw/zinc/35/38/23/353353823.db2.gz OQKUTYXDESZKTO-UHFFFAOYSA-N 1 2 231.343 2.990 20 30 BFEDLO C#CCCCCC(=O)Nc1cc[nH+]cc1C ZINC000180078359 353382347 /nfs/dbraw/zinc/38/23/47/353382347.db2.gz KMBZAOSNYWVVHD-UHFFFAOYSA-N 1 2 216.284 2.522 20 30 BFEDLO C#CC[N@@H+](C)Cc1csc(CCCC)n1 ZINC000192219539 353536907 /nfs/dbraw/zinc/53/69/07/353536907.db2.gz REBYOWCJWOSLNQ-UHFFFAOYSA-N 1 2 222.357 2.551 20 30 BFEDLO C#CC[N@H+](C)Cc1csc(CCCC)n1 ZINC000192219539 353536909 /nfs/dbraw/zinc/53/69/09/353536909.db2.gz REBYOWCJWOSLNQ-UHFFFAOYSA-N 1 2 222.357 2.551 20 30 BFEDLO C#CCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287467315 353577028 /nfs/dbraw/zinc/57/70/28/353577028.db2.gz RONDBOBBEDHDSJ-UHFFFAOYSA-N 1 2 205.688 2.679 20 30 BFEDLO C#CCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287467315 353577032 /nfs/dbraw/zinc/57/70/32/353577032.db2.gz RONDBOBBEDHDSJ-UHFFFAOYSA-N 1 2 205.688 2.679 20 30 BFEDLO C[C@H](c1ccco1)[N@H+](C)CC1(C#N)CC1 ZINC000343314827 353634127 /nfs/dbraw/zinc/63/41/27/353634127.db2.gz OIELMRGEGFQNRV-SNVBAGLBSA-N 1 2 204.273 2.576 20 30 BFEDLO C[C@H](c1ccco1)[N@@H+](C)CC1(C#N)CC1 ZINC000343314827 353634131 /nfs/dbraw/zinc/63/41/31/353634131.db2.gz OIELMRGEGFQNRV-SNVBAGLBSA-N 1 2 204.273 2.576 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289723975 353638523 /nfs/dbraw/zinc/63/85/23/353638523.db2.gz DAJCTTZOVISHJD-SNVBAGLBSA-N 1 2 246.141 2.536 20 30 BFEDLO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289723975 353638524 /nfs/dbraw/zinc/63/85/24/353638524.db2.gz DAJCTTZOVISHJD-SNVBAGLBSA-N 1 2 246.141 2.536 20 30 BFEDLO C=CC[N@@H+](C)Cc1cccc(O)c1Cl ZINC000294633419 353786825 /nfs/dbraw/zinc/78/68/25/353786825.db2.gz JULLNGGGFUIMQD-UHFFFAOYSA-N 1 2 211.692 2.663 20 30 BFEDLO C=CC[N@H+](C)Cc1cccc(O)c1Cl ZINC000294633419 353786827 /nfs/dbraw/zinc/78/68/27/353786827.db2.gz JULLNGGGFUIMQD-UHFFFAOYSA-N 1 2 211.692 2.663 20 30 BFEDLO C=CC[C@@H](C)[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000294638031 353786430 /nfs/dbraw/zinc/78/64/30/353786430.db2.gz GCBBFXQGCZXQQG-MWLCHTKSSA-N 1 2 248.355 2.510 20 30 BFEDLO CC#CC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000293050855 353737217 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/nfs/dbraw/zinc/07/30/60/181073060.db2.gz MDWSVTDCGDBVOH-UHFFFAOYSA-N 1 2 249.273 2.785 20 30 BFEDLO CCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000334604660 354285316 /nfs/dbraw/zinc/28/53/16/354285316.db2.gz XVVSVAZEHAMFMP-UONOGXRCSA-N 1 2 236.359 2.714 20 30 BFEDLO CCCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000334604660 354285319 /nfs/dbraw/zinc/28/53/19/354285319.db2.gz XVVSVAZEHAMFMP-UONOGXRCSA-N 1 2 236.359 2.714 20 30 BFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)s1 ZINC000294242264 181103129 /nfs/dbraw/zinc/10/31/29/181103129.db2.gz ZWADREBGPUCYRI-SECBINFHSA-N 1 2 224.304 2.554 20 30 BFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)s1 ZINC000294242264 181103130 /nfs/dbraw/zinc/10/31/30/181103130.db2.gz ZWADREBGPUCYRI-SECBINFHSA-N 1 2 224.304 2.554 20 30 BFEDLO N#Cc1ccc(NCc2cn3ccccc3[nH+]2)cc1 ZINC000020053227 181124551 /nfs/dbraw/zinc/12/45/51/181124551.db2.gz JRICNSBLWSOMGB-UHFFFAOYSA-N 1 2 248.289 2.818 20 30 BFEDLO C=C(C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000334696038 354487626 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/nfs/dbraw/zinc/12/35/64/202123564.db2.gz SMWQZPHKPAHNEU-LLVKDONJSA-N 1 2 218.300 2.966 20 30 BFEDLO C[C@H](c1ccco1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450301160 202123566 /nfs/dbraw/zinc/12/35/66/202123566.db2.gz SMWQZPHKPAHNEU-LLVKDONJSA-N 1 2 218.300 2.966 20 30 BFEDLO C=C1CC[NH+](Cc2nc(C)sc2C)CC1 ZINC000334150037 134154543 /nfs/dbraw/zinc/15/45/43/134154543.db2.gz JZIIIXJHCRVCCA-UHFFFAOYSA-N 1 2 222.357 2.912 20 30 BFEDLO CCC(=O)CCC[N@H+](CC#N)C1CCCC1 ZINC000450424797 202162237 /nfs/dbraw/zinc/16/22/37/202162237.db2.gz LJCLESDDGFHWQD-UHFFFAOYSA-N 1 2 222.332 2.514 20 30 BFEDLO CCC(=O)CCC[N@@H+](CC#N)C1CCCC1 ZINC000450424797 202162241 /nfs/dbraw/zinc/16/22/41/202162241.db2.gz LJCLESDDGFHWQD-UHFFFAOYSA-N 1 2 222.332 2.514 20 30 BFEDLO CC(C)c1ncc(C[NH2+]C[C@@H](C)C#N)s1 ZINC000389951592 357072429 /nfs/dbraw/zinc/07/24/29/357072429.db2.gz SGTJECBKGMAYHM-VIFPVBQESA-N 1 2 223.345 2.516 20 30 BFEDLO CC(C)N(CCC#N)Cc1[nH+]ccn1C(C)C ZINC000610161264 357263437 /nfs/dbraw/zinc/26/34/37/357263437.db2.gz AERAASHOIMJQOP-UHFFFAOYSA-N 1 2 234.347 2.588 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)nsc1C ZINC000582495365 357325350 /nfs/dbraw/zinc/32/53/50/357325350.db2.gz GAMJIJJPSSKKFP-SNVBAGLBSA-N 1 2 223.345 2.542 20 30 BFEDLO C=CCOCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000362394014 134210999 /nfs/dbraw/zinc/21/09/99/134210999.db2.gz BKYWOWONLAEYRM-UHFFFAOYSA-N 1 2 248.326 2.620 20 30 BFEDLO C=CCCC[N@@H+](CCCO)c1ccccc1 ZINC000132476711 325219154 /nfs/dbraw/zinc/21/91/54/325219154.db2.gz FXMCFWUPROGZQW-UHFFFAOYSA-N 1 2 219.328 2.842 20 30 BFEDLO C=CCCC[N@H+](CCCO)c1ccccc1 ZINC000132476711 325219155 /nfs/dbraw/zinc/21/91/55/325219155.db2.gz FXMCFWUPROGZQW-UHFFFAOYSA-N 1 2 219.328 2.842 20 30 BFEDLO CC[N@@H+](C/C=C\c1ccccc1)CCC#N ZINC000218095134 134251667 /nfs/dbraw/zinc/25/16/67/134251667.db2.gz VAVYNBMTPGUALY-POHAHGRESA-N 1 2 214.312 2.935 20 30 BFEDLO CC[N@H+](C/C=C\c1ccccc1)CCC#N ZINC000218095134 134251668 /nfs/dbraw/zinc/25/16/68/134251668.db2.gz VAVYNBMTPGUALY-POHAHGRESA-N 1 2 214.312 2.935 20 30 BFEDLO Cc1cccc([C@@H](C)[NH+]2CC(C)(C#N)C2)c1 ZINC000584698486 358154065 /nfs/dbraw/zinc/15/40/65/358154065.db2.gz DMULNCOYJRSZMZ-GFCCVEGCSA-N 1 2 214.312 2.902 20 30 BFEDLO CCn1cc[nH+]c1CN(CCC#N)CCC(C)C ZINC000173541844 134275427 /nfs/dbraw/zinc/27/54/27/134275427.db2.gz UVICSIWJZAXBNG-UHFFFAOYSA-N 1 2 248.374 2.665 20 30 BFEDLO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000130252588 358615142 /nfs/dbraw/zinc/61/51/42/358615142.db2.gz BZQVUZSXMFYEIF-TZMCWYRMSA-N 1 2 247.338 2.845 20 30 BFEDLO COc1ccc(C)cc1C[N@H+](C)C[C@H](C)C#N ZINC000049932539 358706841 /nfs/dbraw/zinc/70/68/41/358706841.db2.gz MSPZKVIEBLWSJZ-GFCCVEGCSA-N 1 2 232.327 2.595 20 30 BFEDLO COc1ccc(C)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000049932539 358706845 /nfs/dbraw/zinc/70/68/45/358706845.db2.gz MSPZKVIEBLWSJZ-GFCCVEGCSA-N 1 2 232.327 2.595 20 30 BFEDLO C=C(C)CCc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351469961 366529277 /nfs/dbraw/zinc/52/92/77/366529277.db2.gz 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366758684 /nfs/dbraw/zinc/75/86/84/366758684.db2.gz MMFISDLHQFMKQG-UHFFFAOYSA-N 1 2 219.332 2.632 20 30 BFEDLO CCn1cccc1C[N@@H+](CCC#N)C(C)C ZINC000579314501 366758685 /nfs/dbraw/zinc/75/86/85/366758685.db2.gz MMFISDLHQFMKQG-UHFFFAOYSA-N 1 2 219.332 2.632 20 30 BFEDLO Cc1ccoc1C[N@@H+](C)CC(C)(C)C#N ZINC000354034778 366799776 /nfs/dbraw/zinc/79/97/76/366799776.db2.gz CBAQRNNBFKKPIN-UHFFFAOYSA-N 1 2 206.289 2.570 20 30 BFEDLO Cc1ccoc1C[N@H+](C)CC(C)(C)C#N ZINC000354034778 366799780 /nfs/dbraw/zinc/79/97/80/366799780.db2.gz CBAQRNNBFKKPIN-UHFFFAOYSA-N 1 2 206.289 2.570 20 30 BFEDLO C[N@H+](CCC(=O)c1ccccc1)CC(C)(C)C#N ZINC000433309395 201179888 /nfs/dbraw/zinc/17/98/88/201179888.db2.gz ZEUHCHJLEBDQQB-UHFFFAOYSA-N 1 2 244.338 2.741 20 30 BFEDLO C[N@@H+](CCC(=O)c1ccccc1)CC(C)(C)C#N ZINC000433309395 201179890 /nfs/dbraw/zinc/17/98/90/201179890.db2.gz ZEUHCHJLEBDQQB-UHFFFAOYSA-N 1 2 244.338 2.741 20 30 BFEDLO C=C(CC)C[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000433305926 201180571 /nfs/dbraw/zinc/18/05/71/201180571.db2.gz RCSVTTJVNJXXLH-CYBMUJFWSA-N 1 2 235.331 2.559 20 30 BFEDLO Cc1oncc1C[N@@H+](CCC#N)CCC(C)C ZINC000181730354 366843221 /nfs/dbraw/zinc/84/32/21/366843221.db2.gz ZFKDTHOVAFDXCQ-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO Cc1oncc1C[N@H+](CCC#N)CCC(C)C ZINC000181730354 366843225 /nfs/dbraw/zinc/84/32/25/366843225.db2.gz ZFKDTHOVAFDXCQ-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO C=CCOc1ccccc1CNc1c[nH]c[nH+]1 ZINC000575844297 365381377 /nfs/dbraw/zinc/38/13/77/365381377.db2.gz WFNWFXJYSDDESH-UHFFFAOYSA-N 1 2 229.283 2.587 20 30 BFEDLO C[C@H](C#N)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381892472 367467804 /nfs/dbraw/zinc/46/78/04/367467804.db2.gz LMSZDAFHNFFLGO-OVIZCXLRSA-N 1 2 206.333 2.703 20 30 BFEDLO Cc1cncc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000615446161 367860558 /nfs/dbraw/zinc/86/05/58/367860558.db2.gz UHNJTSWAOZLWNA-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1cncc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000615446161 367860562 /nfs/dbraw/zinc/86/05/62/367860562.db2.gz UHNJTSWAOZLWNA-CQSZACIVSA-N 1 2 229.327 2.516 20 30 BFEDLO C=CCOc1ccccc1C[NH2+]CC(C)(F)F ZINC000581897532 367886956 /nfs/dbraw/zinc/88/69/56/367886956.db2.gz FTMYWPZLXBXXJM-UHFFFAOYSA-N 1 2 241.281 2.996 20 30 BFEDLO C=C(C)CC[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000386915070 368035069 /nfs/dbraw/zinc/03/50/69/368035069.db2.gz QNJURRUNMFHUJL-AWEZNQCLSA-N 1 2 247.338 2.847 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1nc(C2CC2)cs1 ZINC000566429059 326040504 /nfs/dbraw/zinc/04/05/04/326040504.db2.gz PCBLDUBHPAXFLY-SNVBAGLBSA-N 1 2 235.356 2.802 20 30 BFEDLO CC1CCC(C[N@@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000615638731 368182016 /nfs/dbraw/zinc/18/20/16/368182016.db2.gz PUSHKSZMOZTUGM-WXRRBKDZSA-N 1 2 224.323 2.750 20 30 BFEDLO CC1CCC(C[N@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000615638731 368182018 /nfs/dbraw/zinc/18/20/18/368182018.db2.gz PUSHKSZMOZTUGM-WXRRBKDZSA-N 1 2 224.323 2.750 20 30 BFEDLO N#C[C@]1(F)CC[N@H+](CCC2CCCCC2)C1 ZINC000615639121 368182523 /nfs/dbraw/zinc/18/25/23/368182523.db2.gz RWZQDRQFNNEERB-CYBMUJFWSA-N 1 2 224.323 2.894 20 30 BFEDLO N#C[C@]1(F)CC[N@@H+](CCC2CCCCC2)C1 ZINC000615639121 368182530 /nfs/dbraw/zinc/18/25/30/368182530.db2.gz RWZQDRQFNNEERB-CYBMUJFWSA-N 1 2 224.323 2.894 20 30 BFEDLO CCC(C)(C)CC[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615645895 368187794 /nfs/dbraw/zinc/18/77/94/368187794.db2.gz QLVMIJHXLXHZFV-GFCCVEGCSA-N 1 2 212.312 2.750 20 30 BFEDLO CCC(C)(C)CC[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615645895 368187799 /nfs/dbraw/zinc/18/77/99/368187799.db2.gz QLVMIJHXLXHZFV-GFCCVEGCSA-N 1 2 212.312 2.750 20 30 BFEDLO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615649771 368191889 /nfs/dbraw/zinc/19/18/89/368191889.db2.gz CJERIDPPSHPQCP-JHJVBQTASA-N 1 2 224.323 2.750 20 30 BFEDLO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615649771 368191893 /nfs/dbraw/zinc/19/18/93/368191893.db2.gz CJERIDPPSHPQCP-JHJVBQTASA-N 1 2 224.323 2.750 20 30 BFEDLO C=CCCC[C@@H](C)[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615637260 368144448 /nfs/dbraw/zinc/14/44/48/368144448.db2.gz GTVMPNCCVUTOAQ-NEPJUHHUSA-N 1 2 210.296 2.669 20 30 BFEDLO C=CCCC[C@@H](C)[N@H+]1CC[C@](F)(C#N)C1 ZINC000615637260 368144456 /nfs/dbraw/zinc/14/44/56/368144456.db2.gz GTVMPNCCVUTOAQ-NEPJUHHUSA-N 1 2 210.296 2.669 20 30 BFEDLO C#CC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000072802667 368781154 /nfs/dbraw/zinc/78/11/54/368781154.db2.gz XCHPGKHVYYYYLW-UHFFFAOYSA-N 1 2 231.320 2.977 20 30 BFEDLO C#CC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000072802667 368781157 /nfs/dbraw/zinc/78/11/57/368781157.db2.gz XCHPGKHVYYYYLW-UHFFFAOYSA-N 1 2 231.320 2.977 20 30 BFEDLO Cc1ccc(C[NH2+]C[C@@H](C)C#N)c(Cl)c1 ZINC000404487924 369430701 /nfs/dbraw/zinc/43/07/01/369430701.db2.gz OGJSUBVKFLUFJA-JTQLQIEISA-N 1 2 222.719 2.898 20 30 BFEDLO N#Cc1ccccc1C[NH+]1CCC(F)(F)CC1 ZINC000404855435 369437637 /nfs/dbraw/zinc/43/76/37/369437637.db2.gz VAXPPLZFCOPRKZ-UHFFFAOYSA-N 1 2 236.265 2.789 20 30 BFEDLO C=CCOCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459760149 203359330 /nfs/dbraw/zinc/35/93/30/203359330.db2.gz JQSCFPFLIOTLAU-UHFFFAOYSA-N 1 2 237.730 2.858 20 30 BFEDLO C=CCOCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459760149 203359332 /nfs/dbraw/zinc/35/93/32/203359332.db2.gz JQSCFPFLIOTLAU-UHFFFAOYSA-N 1 2 237.730 2.858 20 30 BFEDLO CC(C)C[C@@H](C)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000619621570 369497212 /nfs/dbraw/zinc/49/72/12/369497212.db2.gz HKZOTDRCKDLSNG-NEPJUHHUSA-N 1 2 212.312 2.606 20 30 BFEDLO CC(C)C[C@@H](C)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000619621570 369497218 /nfs/dbraw/zinc/49/72/18/369497218.db2.gz HKZOTDRCKDLSNG-NEPJUHHUSA-N 1 2 212.312 2.606 20 30 BFEDLO C=C[C@H]([NH2+]CC(C)(C)C1CCCC1)C(=O)OC ZINC000619703327 369535644 /nfs/dbraw/zinc/53/56/44/369535644.db2.gz JKZOLRVPUYZRRL-LBPRGKRZSA-N 1 2 239.359 2.520 20 30 BFEDLO C=C[C@@H]([NH2+]CCC1=CCCCCC1)C(=O)OC ZINC000619702443 369535930 /nfs/dbraw/zinc/53/59/30/369535930.db2.gz FLWOIJWTROCHLA-CYBMUJFWSA-N 1 2 237.343 2.584 20 30 BFEDLO C[C@@H](C[N@@H+]1CC[C@@](F)(C#N)C1)C(C)(C)C ZINC000619845831 369618461 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/nfs/dbraw/zinc/37/83/95/134378395.db2.gz JNHRLLTZPZHVLW-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000404100770 383875454 /nfs/dbraw/zinc/87/54/54/383875454.db2.gz ZIWSQODOUGOJHI-UHFFFAOYSA-N 1 2 245.301 2.821 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000404100770 383875456 /nfs/dbraw/zinc/87/54/56/383875456.db2.gz ZIWSQODOUGOJHI-UHFFFAOYSA-N 1 2 245.301 2.821 20 30 BFEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@H]1C ZINC000334919084 383974568 /nfs/dbraw/zinc/97/45/68/383974568.db2.gz CLPHVRPZYJYULR-ZJUUUORDSA-N 1 2 218.275 2.538 20 30 BFEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1C ZINC000334919084 383974571 /nfs/dbraw/zinc/97/45/71/383974571.db2.gz CLPHVRPZYJYULR-ZJUUUORDSA-N 1 2 218.275 2.538 20 30 BFEDLO Cn1c[nH+]c2cc(Nc3ncccc3C#N)ccc21 ZINC000362265912 384184161 /nfs/dbraw/zinc/18/41/61/384184161.db2.gz KTSLKSZMHHWEGO-UHFFFAOYSA-N 1 2 249.277 2.584 20 30 BFEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000119968840 384321390 /nfs/dbraw/zinc/32/13/90/384321390.db2.gz JRWCVCWUTIUENJ-ZDUSSCGKSA-N 1 2 248.326 2.593 20 30 BFEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000119968840 384321394 /nfs/dbraw/zinc/32/13/94/384321394.db2.gz JRWCVCWUTIUENJ-ZDUSSCGKSA-N 1 2 248.326 2.593 20 30 BFEDLO CSc1ccc(N[C@@H]2CC[C@H](C#N)C2)[nH+]c1 ZINC000335620231 384398245 /nfs/dbraw/zinc/39/82/45/384398245.db2.gz UEUBLFBMRBDLCQ-VHSXEESVSA-N 1 2 233.340 2.908 20 30 BFEDLO CCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000079601330 384506883 /nfs/dbraw/zinc/50/68/83/384506883.db2.gz SKJMSMUOHMKZAJ-LBPRGKRZSA-N 1 2 232.327 2.819 20 30 BFEDLO CCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000079601330 384506886 /nfs/dbraw/zinc/50/68/86/384506886.db2.gz SKJMSMUOHMKZAJ-LBPRGKRZSA-N 1 2 232.327 2.819 20 30 BFEDLO C#CCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292708270 533069081 /nfs/dbraw/zinc/06/90/81/533069081.db2.gz LIVGOBPHULZTMX-LLVKDONJSA-N 1 2 209.239 2.606 20 30 BFEDLO C[C@H]([NH2+]CCC#N)c1cc2ccccc2o1 ZINC000020199969 384595117 /nfs/dbraw/zinc/59/51/17/384595117.db2.gz SVMHTZKMSHEIBG-JTQLQIEISA-N 1 2 214.268 2.997 20 30 BFEDLO C[C@@H]([NH2+]CCC#N)c1cc2ccccc2o1 ZINC000020199967 384596328 /nfs/dbraw/zinc/59/63/28/384596328.db2.gz SVMHTZKMSHEIBG-SNVBAGLBSA-N 1 2 214.268 2.997 20 30 BFEDLO Cc1c[nH+]cc(NCc2cccc(C#N)c2)c1 ZINC000119569175 384724464 /nfs/dbraw/zinc/72/44/64/384724464.db2.gz YPSHCDIVMLKARX-UHFFFAOYSA-N 1 2 223.279 2.874 20 30 BFEDLO Cc1cc(C)cc(C[N@H+](C)CCC#N)c1 ZINC000037978569 384706560 /nfs/dbraw/zinc/70/65/60/384706560.db2.gz QDZBKOIVJXEQRM-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO Cc1cc(C)cc(C[N@@H+](C)CCC#N)c1 ZINC000037978569 384706567 /nfs/dbraw/zinc/70/65/67/384706567.db2.gz QDZBKOIVJXEQRM-UHFFFAOYSA-N 1 2 202.301 2.649 20 30 BFEDLO C[N@H+](CCC#N)[C@@H]1CCc2ccc(F)cc21 ZINC000083217555 384752797 /nfs/dbraw/zinc/75/27/97/384752797.db2.gz HLHZLGAYNZGTDY-CYBMUJFWSA-N 1 2 218.275 2.658 20 30 BFEDLO C[N@@H+](CCC#N)[C@@H]1CCc2ccc(F)cc21 ZINC000083217555 384752801 /nfs/dbraw/zinc/75/28/01/384752801.db2.gz HLHZLGAYNZGTDY-CYBMUJFWSA-N 1 2 218.275 2.658 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000042207621 384767667 /nfs/dbraw/zinc/76/76/67/384767667.db2.gz VNVUWSVGGLVHBG-QMMMGPOBSA-N 1 2 228.748 2.993 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042207621 384767674 /nfs/dbraw/zinc/76/76/74/384767674.db2.gz VNVUWSVGGLVHBG-QMMMGPOBSA-N 1 2 228.748 2.993 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccccc2F)CCC1 ZINC000259009888 384955339 /nfs/dbraw/zinc/95/53/39/384955339.db2.gz XGFHKVVLVUDYCE-UHFFFAOYSA-N 1 2 218.275 2.609 20 30 BFEDLO C#CC[N@@H+](C)Cc1cc2ccccc2nc1Cl ZINC000192224767 384915811 /nfs/dbraw/zinc/91/58/11/384915811.db2.gz IATWQOXBRAANIY-UHFFFAOYSA-N 1 2 244.725 2.953 20 30 BFEDLO C#CC[N@H+](C)Cc1cc2ccccc2nc1Cl ZINC000192224767 384915817 /nfs/dbraw/zinc/91/58/17/384915817.db2.gz IATWQOXBRAANIY-UHFFFAOYSA-N 1 2 244.725 2.953 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@H]1CCC2(CCCC2)O1 ZINC000559264068 384922256 /nfs/dbraw/zinc/92/22/56/384922256.db2.gz ZGVNITPLXFSBEI-CQSZACIVSA-N 1 2 248.370 2.880 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCC2(CCCC2)O1 ZINC000559264068 384922261 /nfs/dbraw/zinc/92/22/61/384922261.db2.gz ZGVNITPLXFSBEI-CQSZACIVSA-N 1 2 248.370 2.880 20 30 BFEDLO Cc1ccc(F)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000129160568 385113638 /nfs/dbraw/zinc/11/36/38/385113638.db2.gz QJCFLVOYVYOKJU-JTQLQIEISA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1ccc(F)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000129160568 385113644 /nfs/dbraw/zinc/11/36/44/385113644.db2.gz QJCFLVOYVYOKJU-JTQLQIEISA-N 1 2 220.291 2.726 20 30 BFEDLO CCCOc1ccc2c(c1)CC[N@@H+](CCC#N)C2 ZINC000153216084 385240305 /nfs/dbraw/zinc/24/03/05/385240305.db2.gz NQMLJZVEFZGELY-UHFFFAOYSA-N 1 2 244.338 2.747 20 30 BFEDLO CCCOc1ccc2c(c1)CC[N@H+](CCC#N)C2 ZINC000153216084 385240310 /nfs/dbraw/zinc/24/03/10/385240310.db2.gz NQMLJZVEFZGELY-UHFFFAOYSA-N 1 2 244.338 2.747 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(CCC(C)C)no1 ZINC000491632442 385257678 /nfs/dbraw/zinc/25/76/78/385257678.db2.gz PABHQWHIHMULOL-UHFFFAOYSA-N 1 2 249.358 2.502 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1nc(CCC(C)C)no1 ZINC000491632442 385257685 /nfs/dbraw/zinc/25/76/85/385257685.db2.gz PABHQWHIHMULOL-UHFFFAOYSA-N 1 2 249.358 2.502 20 30 BFEDLO CC(C)(C)C[C@@H](O)C/[NH+]=C/c1ccccc1O ZINC000172156738 385553208 /nfs/dbraw/zinc/55/32/08/385553208.db2.gz AYBAFKUPNXBAHD-KMHUVPDISA-N 1 2 235.327 2.608 20 30 BFEDLO N#CC[N@H+](CC[C@@H]1CCCCO1)C1CCCC1 ZINC000347429839 386399697 /nfs/dbraw/zinc/39/96/97/386399697.db2.gz CMCVJMMRTJIGJU-AWEZNQCLSA-N 1 2 236.359 2.714 20 30 BFEDLO N#CC[N@@H+](CC[C@@H]1CCCCO1)C1CCCC1 ZINC000347429839 386399701 /nfs/dbraw/zinc/39/97/01/386399701.db2.gz CMCVJMMRTJIGJU-AWEZNQCLSA-N 1 2 236.359 2.714 20 30 BFEDLO C=CC[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000343237377 386532301 /nfs/dbraw/zinc/53/23/01/386532301.db2.gz KJWQDHZASUCBAF-UHFFFAOYSA-N 1 2 226.323 2.978 20 30 BFEDLO C=CC[N@@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000343237377 386532309 /nfs/dbraw/zinc/53/23/09/386532309.db2.gz KJWQDHZASUCBAF-UHFFFAOYSA-N 1 2 226.323 2.978 20 30 BFEDLO N#CC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000334638051 386774231 /nfs/dbraw/zinc/77/42/31/386774231.db2.gz LGNQFAWTGBXNJB-CQSZACIVSA-N 1 2 226.323 2.780 20 30 BFEDLO N#CC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000334638051 386774235 /nfs/dbraw/zinc/77/42/35/386774235.db2.gz LGNQFAWTGBXNJB-CQSZACIVSA-N 1 2 226.323 2.780 20 30 BFEDLO Cc1cc(NC[C@@H]2CC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399532204 386976252 /nfs/dbraw/zinc/97/62/52/386976252.db2.gz VCUYDPBCLDRYMI-CMPLNLGQSA-N 1 2 229.327 2.532 20 30 BFEDLO CC[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000399617878 387040183 /nfs/dbraw/zinc/04/01/83/387040183.db2.gz YBMMJYODGKNRTH-KOLCDFICSA-N 1 2 217.316 2.530 20 30 BFEDLO CC[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000399617875 387041221 /nfs/dbraw/zinc/04/12/21/387041221.db2.gz YBMMJYODGKNRTH-GXSJLCMTSA-N 1 2 217.316 2.530 20 30 BFEDLO Cc1cc(N(C)CCCOC(C)C)c(C#N)c[nH+]1 ZINC000399582880 387026966 /nfs/dbraw/zinc/02/69/66/387026966.db2.gz MEGXYWWDMRTLEY-UHFFFAOYSA-N 1 2 247.342 2.513 20 30 BFEDLO CC[N@H+](Cc1cc(O)cc(F)c1)C[C@@H](C)C#N ZINC000186190968 387075057 /nfs/dbraw/zinc/07/50/57/387075057.db2.gz JLKICKOZCJMULC-JTQLQIEISA-N 1 2 236.290 2.513 20 30 BFEDLO Cc1cc(N2CC[C@H](C)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399437042 387100474 /nfs/dbraw/zinc/10/04/74/387100474.db2.gz NHQJLUYMELHEND-QWRGUYRKSA-N 1 2 229.327 2.744 20 30 BFEDLO CC[N@@H+](Cc1ccc(C)nc1C)C[C@H](C)C#N ZINC000186903814 387145235 /nfs/dbraw/zinc/14/52/35/387145235.db2.gz QCOUWWLQXOQUJL-LLVKDONJSA-N 1 2 231.343 2.680 20 30 BFEDLO CC[N@H+](Cc1ccc(C)nc1C)C[C@H](C)C#N ZINC000186903814 387145238 /nfs/dbraw/zinc/14/52/38/387145238.db2.gz QCOUWWLQXOQUJL-LLVKDONJSA-N 1 2 231.343 2.680 20 30 BFEDLO N#CC1(C[NH2+]Cc2csc(C3CC3)n2)CCC1 ZINC000418145729 387168277 /nfs/dbraw/zinc/16/82/77/387168277.db2.gz YSTHWLOPMWMXFW-UHFFFAOYSA-N 1 2 247.367 2.804 20 30 BFEDLO Cc1ccnc([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000418136165 387171549 /nfs/dbraw/zinc/17/15/49/387171549.db2.gz CDMFZTGVPVUFAR-LBPRGKRZSA-N 1 2 229.327 2.735 20 30 BFEDLO C=C1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000271424106 387444287 /nfs/dbraw/zinc/44/42/87/387444287.db2.gz ZDHMSXZFTMIUHX-UHFFFAOYSA-N 1 2 208.330 2.604 20 30 BFEDLO C=C1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000264484817 387390327 /nfs/dbraw/zinc/39/03/27/387390327.db2.gz RBZMMIGBZGEAAU-UHFFFAOYSA-N 1 2 222.719 2.887 20 30 BFEDLO C=C1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000268036518 387413065 /nfs/dbraw/zinc/41/30/65/387413065.db2.gz NWXOVZJJDBELFP-UHFFFAOYSA-N 1 2 208.330 2.604 20 30 BFEDLO CC[C@H](F)C[N@H+](CCC#N)CCC(C)C ZINC000440777026 387692551 /nfs/dbraw/zinc/69/25/51/387692551.db2.gz SXPNIHJSJXACDL-LBPRGKRZSA-N 1 2 214.328 2.996 20 30 BFEDLO CC[C@H](F)C[N@@H+](CCC#N)CCC(C)C ZINC000440777026 387692557 /nfs/dbraw/zinc/69/25/57/387692557.db2.gz SXPNIHJSJXACDL-LBPRGKRZSA-N 1 2 214.328 2.996 20 30 BFEDLO Cc1cc(NCC2(C)CCCC2)c(C#N)c[nH+]1 ZINC000399481660 387708526 /nfs/dbraw/zinc/70/85/26/387708526.db2.gz FJJGPXAEJOQPIE-UHFFFAOYSA-N 1 2 229.327 2.676 20 30 BFEDLO C[N@H+](Cc1ccc[nH]1)Cc1ccc(C#N)cc1F ZINC000354035237 387844369 /nfs/dbraw/zinc/84/43/69/387844369.db2.gz WIHUGHWVHWGIJH-UHFFFAOYSA-N 1 2 243.285 2.657 20 30 BFEDLO C[N@@H+](Cc1ccc[nH]1)Cc1ccc(C#N)cc1F ZINC000354035237 387844372 /nfs/dbraw/zinc/84/43/72/387844372.db2.gz WIHUGHWVHWGIJH-UHFFFAOYSA-N 1 2 243.285 2.657 20 30 BFEDLO Cc1ccc(F)c(C[N@@H+](C)CC2(C#N)CC2)c1 ZINC000444738160 387918866 /nfs/dbraw/zinc/91/88/66/387918866.db2.gz PRAAMIPGJHQICO-UHFFFAOYSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(F)c(C[N@H+](C)CC2(C#N)CC2)c1 ZINC000444738160 387918867 /nfs/dbraw/zinc/91/88/67/387918867.db2.gz PRAAMIPGJHQICO-UHFFFAOYSA-N 1 2 232.302 2.870 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449010272 388128045 /nfs/dbraw/zinc/12/80/45/388128045.db2.gz RRJBNDGHVMWKGO-UHFFFAOYSA-N 1 2 229.283 2.563 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000449010272 388128048 /nfs/dbraw/zinc/12/80/48/388128048.db2.gz RRJBNDGHVMWKGO-UHFFFAOYSA-N 1 2 229.283 2.563 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456440972 388201600 /nfs/dbraw/zinc/20/16/00/388201600.db2.gz YURUTQXXSYUUGH-QJPTWQEYSA-N 1 2 247.342 2.607 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1cc(C)[nH]c1C ZINC000489465316 388216226 /nfs/dbraw/zinc/21/62/26/388216226.db2.gz SJNULEBZHZWKHB-ZDUSSCGKSA-N 1 2 246.354 2.855 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1cc(C)[nH]c1C ZINC000489465316 388216228 /nfs/dbraw/zinc/21/62/28/388216228.db2.gz SJNULEBZHZWKHB-ZDUSSCGKSA-N 1 2 246.354 2.855 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(CCCC)no1 ZINC000489479685 388216954 /nfs/dbraw/zinc/21/69/54/388216954.db2.gz RFZHBDYVRJVFJP-GFCCVEGCSA-N 1 2 249.358 2.953 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CCCC)no1 ZINC000489479685 388216955 /nfs/dbraw/zinc/21/69/55/388216955.db2.gz RFZHBDYVRJVFJP-GFCCVEGCSA-N 1 2 249.358 2.953 20 30 BFEDLO C=C[C@](C)(CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456825960 388225655 /nfs/dbraw/zinc/22/56/55/388225655.db2.gz AAONNINRRHSZOF-OAHLLOKOSA-N 1 2 246.354 2.917 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000491328020 388286118 /nfs/dbraw/zinc/28/61/18/388286118.db2.gz ZRJIRZZTOLDIMJ-MRVPVSSYSA-N 1 2 243.137 2.842 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000491328020 388286120 /nfs/dbraw/zinc/28/61/20/388286120.db2.gz ZRJIRZZTOLDIMJ-MRVPVSSYSA-N 1 2 243.137 2.842 20 30 BFEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451783173 388295901 /nfs/dbraw/zinc/29/59/01/388295901.db2.gz CVYZEDVLJCHQNF-AWEZNQCLSA-N 1 2 235.302 2.775 20 30 BFEDLO C=C(C)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451783173 388295902 /nfs/dbraw/zinc/29/59/02/388295902.db2.gz CVYZEDVLJCHQNF-AWEZNQCLSA-N 1 2 235.302 2.775 20 30 BFEDLO CC#CCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451797679 388296408 /nfs/dbraw/zinc/29/64/08/388296408.db2.gz KNTFSWBDZILPPB-HNNXBMFYSA-N 1 2 247.313 2.612 20 30 BFEDLO CC#CCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451797679 388296409 /nfs/dbraw/zinc/29/64/09/388296409.db2.gz KNTFSWBDZILPPB-HNNXBMFYSA-N 1 2 247.313 2.612 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1cccnc1)c1ccc(F)cc1 ZINC000491553809 388303481 /nfs/dbraw/zinc/30/34/81/388303481.db2.gz CTZQTWGELWKWFU-OAHLLOKOSA-N 1 2 240.281 2.685 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000491653078 388308108 /nfs/dbraw/zinc/30/81/08/388308108.db2.gz CIJSDWVQAAKGQF-JTQLQIEISA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000491653078 388308109 /nfs/dbraw/zinc/30/81/09/388308109.db2.gz CIJSDWVQAAKGQF-JTQLQIEISA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000491665258 388309608 /nfs/dbraw/zinc/30/96/08/388309608.db2.gz RQMWAXFPAPVUQC-GFCCVEGCSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000491665258 388309609 /nfs/dbraw/zinc/30/96/09/388309609.db2.gz RQMWAXFPAPVUQC-GFCCVEGCSA-N 1 2 240.306 2.795 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000491672550 388309897 /nfs/dbraw/zinc/30/98/97/388309897.db2.gz UFGIXFRMANHBRW-SNVBAGLBSA-N 1 2 222.357 2.720 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(C(C)C)n1 ZINC000491672550 388309898 /nfs/dbraw/zinc/30/98/98/388309898.db2.gz UFGIXFRMANHBRW-SNVBAGLBSA-N 1 2 222.357 2.720 20 30 BFEDLO C#C[C@H](CCC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000491191960 388275468 /nfs/dbraw/zinc/27/54/68/388275468.db2.gz JPNFVMZCLNBNDP-GFCCVEGCSA-N 1 2 245.326 2.622 20 30 BFEDLO COCC[C@@H](c1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC000519176656 256644777 /nfs/dbraw/zinc/64/47/77/256644777.db2.gz FDTYHUSNVUAEQA-AWEZNQCLSA-N 1 2 244.338 2.610 20 30 BFEDLO C[C@@H]1C[C@H]1C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000572807474 388377920 /nfs/dbraw/zinc/37/79/20/388377920.db2.gz CBCJGWVORFEJQX-GRYCIOLGSA-N 1 2 206.333 2.657 20 30 BFEDLO C[C@@H]1C[C@H]1C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000572807474 388377922 /nfs/dbraw/zinc/37/79/22/388377922.db2.gz CBCJGWVORFEJQX-GRYCIOLGSA-N 1 2 206.333 2.657 20 30 BFEDLO CC(C)([NH2+]Cc1ccc(C#N)o1)c1nccs1 ZINC000174403309 388440537 /nfs/dbraw/zinc/44/05/37/388440537.db2.gz LPWXMBZBNYMFBV-UHFFFAOYSA-N 1 2 247.323 2.633 20 30 BFEDLO CCC[N@H+](CC#N)C[C@@H]1CCC(F)(F)C1 ZINC000336642410 388457288 /nfs/dbraw/zinc/45/72/88/388457288.db2.gz DRIMQSJIHMLBHT-SNVBAGLBSA-N 1 2 216.275 2.657 20 30 BFEDLO CCC[N@@H+](CC#N)C[C@@H]1CCC(F)(F)C1 ZINC000336642410 388457290 /nfs/dbraw/zinc/45/72/90/388457290.db2.gz DRIMQSJIHMLBHT-SNVBAGLBSA-N 1 2 216.275 2.657 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528557537 388546149 /nfs/dbraw/zinc/54/61/49/388546149.db2.gz ZPEMIMPWVWQURH-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000528557537 388546150 /nfs/dbraw/zinc/54/61/50/388546150.db2.gz ZPEMIMPWVWQURH-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO C[C@@H](CCC#N)[N@@H+]1CCC=C(Br)C1 ZINC000298388492 135199240 /nfs/dbraw/zinc/19/92/40/135199240.db2.gz DPJGTVBEHCTEQZ-VIFPVBQESA-N 1 2 243.148 2.663 20 30 BFEDLO C[C@@H](CCC#N)[N@H+]1CCC=C(Br)C1 ZINC000298388492 135199241 /nfs/dbraw/zinc/19/92/41/135199241.db2.gz DPJGTVBEHCTEQZ-VIFPVBQESA-N 1 2 243.148 2.663 20 30 BFEDLO C=CC[N@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000136112898 388522452 /nfs/dbraw/zinc/52/24/52/388522452.db2.gz AKDJXMMLEZSXAR-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO C=CC[N@@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000136112898 388522456 /nfs/dbraw/zinc/52/24/56/388522456.db2.gz AKDJXMMLEZSXAR-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080509190 388560028 /nfs/dbraw/zinc/56/00/28/388560028.db2.gz PKEAERVAECJOQB-LLVKDONJSA-N 1 2 244.338 2.649 20 30 BFEDLO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CC#N ZINC000528743249 388565011 /nfs/dbraw/zinc/56/50/11/388565011.db2.gz RQZJGHZMFXIUNX-ZDUSSCGKSA-N 1 2 232.302 2.917 20 30 BFEDLO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CC#N ZINC000528743249 388565013 /nfs/dbraw/zinc/56/50/13/388565013.db2.gz RQZJGHZMFXIUNX-ZDUSSCGKSA-N 1 2 232.302 2.917 20 30 BFEDLO CC[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@H](C)CO1 ZINC000403995240 388632212 /nfs/dbraw/zinc/63/22/12/388632212.db2.gz SVLRKRMIDSUMQG-IUODEOHRSA-N 1 2 244.338 2.558 20 30 BFEDLO CC[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@H](C)CO1 ZINC000403995240 388632215 /nfs/dbraw/zinc/63/22/15/388632215.db2.gz SVLRKRMIDSUMQG-IUODEOHRSA-N 1 2 244.338 2.558 20 30 BFEDLO N#Cc1cccc2c1C[N@H+](CC1CC(F)(F)C1)C2 ZINC000405103849 388637726 /nfs/dbraw/zinc/63/77/26/388637726.db2.gz JKADIWJMZCDESU-UHFFFAOYSA-N 1 2 248.276 2.919 20 30 BFEDLO N#Cc1cccc2c1C[N@@H+](CC1CC(F)(F)C1)C2 ZINC000405103849 388637727 /nfs/dbraw/zinc/63/77/27/388637727.db2.gz JKADIWJMZCDESU-UHFFFAOYSA-N 1 2 248.276 2.919 20 30 BFEDLO CC(C)n1cc[nH+]c1CNc1ccc(C#N)cc1 ZINC000123621423 388734117 /nfs/dbraw/zinc/73/41/17/388734117.db2.gz SPYKKLAUBRMXCZ-UHFFFAOYSA-N 1 2 240.310 2.948 20 30 BFEDLO N#Cc1cccc(SCc2cc[nH+]c(N)c2)c1 ZINC000193092075 388692790 /nfs/dbraw/zinc/69/27/90/388692790.db2.gz SVJQSUTWDMZQNM-UHFFFAOYSA-N 1 2 241.319 2.828 20 30 BFEDLO C#CC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000195348976 388706354 /nfs/dbraw/zinc/70/63/54/388706354.db2.gz YIYGJBXSXUCMBP-SNVBAGLBSA-N 1 2 230.336 2.922 20 30 BFEDLO C#CC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000195348976 388706357 /nfs/dbraw/zinc/70/63/57/388706357.db2.gz YIYGJBXSXUCMBP-SNVBAGLBSA-N 1 2 230.336 2.922 20 30 BFEDLO COc1cc(C#N)ccc1COc1cc[nH+]cc1 ZINC000431482597 388731692 /nfs/dbraw/zinc/73/16/92/388731692.db2.gz MLSZFSMQXSLSJT-UHFFFAOYSA-N 1 2 240.262 2.541 20 30 BFEDLO CC(C)CC[N@H+](CCC#N)Cc1ncccc1O ZINC000554856555 388832794 /nfs/dbraw/zinc/83/27/94/388832794.db2.gz XKMCYLISYZZWBG-UHFFFAOYSA-N 1 2 247.342 2.549 20 30 BFEDLO CC(C)CC[N@@H+](CCC#N)Cc1ncccc1O ZINC000554856555 388832796 /nfs/dbraw/zinc/83/27/96/388832796.db2.gz XKMCYLISYZZWBG-UHFFFAOYSA-N 1 2 247.342 2.549 20 30 BFEDLO C=C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000334271751 133609967 /nfs/dbraw/zinc/60/99/67/133609967.db2.gz VUAFJHAUSWTBDO-UHFFFAOYSA-N 1 2 227.311 2.715 20 30 BFEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC#N)[C@@H]2C ZINC000335977040 134031623 /nfs/dbraw/zinc/03/16/23/134031623.db2.gz GXDYSAYYNLECPL-VXGBXAGGSA-N 1 2 244.338 2.916 20 30 BFEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCC#N)[C@@H]2C ZINC000335977040 134031624 /nfs/dbraw/zinc/03/16/24/134031624.db2.gz GXDYSAYYNLECPL-VXGBXAGGSA-N 1 2 244.338 2.916 20 30 BFEDLO CC1(C)CCC[N@H+](C[C@H]2CCSC2)[C@H]1C#N ZINC000336107240 134082767 /nfs/dbraw/zinc/08/27/67/134082767.db2.gz FNYXREYLUHHHMB-NEPJUHHUSA-N 1 2 238.400 2.754 20 30 BFEDLO CC1(C)CCC[N@@H+](C[C@H]2CCSC2)[C@H]1C#N ZINC000336107240 134082768 /nfs/dbraw/zinc/08/27/68/134082768.db2.gz FNYXREYLUHHHMB-NEPJUHHUSA-N 1 2 238.400 2.754 20 30 BFEDLO C[C@@H]1c2cccn2CC[N@H+]1CC1(C#N)CCC1 ZINC000336197827 134127408 /nfs/dbraw/zinc/12/74/08/134127408.db2.gz XTBUCYIWDSBRRK-GFCCVEGCSA-N 1 2 229.327 2.559 20 30 BFEDLO C[C@@H]1c2cccn2CC[N@@H+]1CC1(C#N)CCC1 ZINC000336197827 134127409 /nfs/dbraw/zinc/12/74/09/134127409.db2.gz XTBUCYIWDSBRRK-GFCCVEGCSA-N 1 2 229.327 2.559 20 30 BFEDLO N#CCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 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/nfs/dbraw/zinc/18/45/30/134184530.db2.gz DHEHRKNALLEPFH-UHFFFAOYSA-N 1 2 232.327 2.691 20 30 BFEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)[C@H](C)[C@@H](C)O1 ZINC000361847590 134207900 /nfs/dbraw/zinc/20/79/00/134207900.db2.gz DOOHCJVZMPSAAJ-RBSFLKMASA-N 1 2 243.350 2.536 20 30 BFEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@H](C)[C@@H](C)O1 ZINC000361847590 134207901 /nfs/dbraw/zinc/20/79/01/134207901.db2.gz DOOHCJVZMPSAAJ-RBSFLKMASA-N 1 2 243.350 2.536 20 30 BFEDLO C[C@@H](C#N)C[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000361859727 134207974 /nfs/dbraw/zinc/20/79/74/134207974.db2.gz GQFGHSFCNFOQDC-AWEZNQCLSA-N 1 2 238.334 2.662 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC000361859727 134207975 /nfs/dbraw/zinc/20/79/75/134207975.db2.gz GQFGHSFCNFOQDC-AWEZNQCLSA-N 1 2 238.334 2.662 20 30 BFEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CCC#N)s1 ZINC000122213924 134238172 /nfs/dbraw/zinc/23/81/72/134238172.db2.gz NUSXKEQVRDUVDH-SNVBAGLBSA-N 1 2 237.372 2.920 20 30 BFEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC#N)s1 ZINC000122213924 134238173 /nfs/dbraw/zinc/23/81/73/134238173.db2.gz NUSXKEQVRDUVDH-SNVBAGLBSA-N 1 2 237.372 2.920 20 30 BFEDLO C=C(C)C[N@@H+](C)[C@H](C(=O)OCC)c1ccccc1 ZINC000181247335 134334783 /nfs/dbraw/zinc/33/47/83/134334783.db2.gz OWICVVNJLKLGDI-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C(C)C[N@H+](C)[C@H](C(=O)OCC)c1ccccc1 ZINC000181247335 134334784 /nfs/dbraw/zinc/33/47/84/134334784.db2.gz OWICVVNJLKLGDI-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@H](O)C1CCCCC1 ZINC000067952227 134398561 /nfs/dbraw/zinc/39/85/61/134398561.db2.gz BGTURKXMPGPOBR-BMANGOCTSA-N 1 2 247.338 2.752 20 30 BFEDLO Cc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000338349346 135035001 /nfs/dbraw/zinc/03/50/01/135035001.db2.gz CQVLTNDKLQNNRK-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000338349346 135035003 /nfs/dbraw/zinc/03/50/03/135035003.db2.gz CQVLTNDKLQNNRK-LLVKDONJSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000338362303 135036569 /nfs/dbraw/zinc/03/65/69/135036569.db2.gz ZCFHHDOVAWOKMX-LBPRGKRZSA-N 1 2 239.322 2.682 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000338362303 135036572 /nfs/dbraw/zinc/03/65/72/135036572.db2.gz ZCFHHDOVAWOKMX-LBPRGKRZSA-N 1 2 239.322 2.682 20 30 BFEDLO CCc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)nc1 ZINC000339052769 135055739 /nfs/dbraw/zinc/05/57/39/135055739.db2.gz XOYMKBFYYNZRTL-LBPRGKRZSA-N 1 2 243.354 2.768 20 30 BFEDLO CCc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)nc1 ZINC000339052769 135055742 /nfs/dbraw/zinc/05/57/42/135055742.db2.gz XOYMKBFYYNZRTL-LBPRGKRZSA-N 1 2 243.354 2.768 20 30 BFEDLO CC#CC[N@H+](C)Cc1csc(C(C)C)n1 ZINC000339751195 135080705 /nfs/dbraw/zinc/08/07/05/135080705.db2.gz IKUMZAQYHXOPFH-UHFFFAOYSA-N 1 2 222.357 2.722 20 30 BFEDLO CC#CC[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000339751195 135080706 /nfs/dbraw/zinc/08/07/06/135080706.db2.gz IKUMZAQYHXOPFH-UHFFFAOYSA-N 1 2 222.357 2.722 20 30 BFEDLO 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220.291 2.726 20 30 BFEDLO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)cs1 ZINC000294817206 135187002 /nfs/dbraw/zinc/18/70/02/135187002.db2.gz MODQHUUFPZWZBF-SECBINFHSA-N 1 2 208.330 2.791 20 30 BFEDLO Cc1cc(C[N@H+](C)[C@H](C)CC#N)cs1 ZINC000294817206 135187004 /nfs/dbraw/zinc/18/70/04/135187004.db2.gz MODQHUUFPZWZBF-SECBINFHSA-N 1 2 208.330 2.791 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cccc(C(C)=O)c1 ZINC000295059374 135188823 /nfs/dbraw/zinc/18/88/23/135188823.db2.gz PFUOAWHFIACTRB-UHFFFAOYSA-N 1 2 230.311 2.625 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cccc(C(C)=O)c1 ZINC000295059374 135188824 /nfs/dbraw/zinc/18/88/24/135188824.db2.gz PFUOAWHFIACTRB-UHFFFAOYSA-N 1 2 230.311 2.625 20 30 BFEDLO C[C@H](C[NH+]1CC(C)(C#N)C1)c1ccc(F)cc1 ZINC000297371680 135194905 /nfs/dbraw/zinc/19/49/05/135194905.db2.gz HRMUPAAMXOVIPF-LLVKDONJSA-N 1 2 232.302 2.775 20 30 BFEDLO CC[N@H+](CC#N)[C@H]1CCCc2ccccc21 ZINC000298108179 135197950 /nfs/dbraw/zinc/19/79/50/135197950.db2.gz LWRFLVHQHQXFFU-AWEZNQCLSA-N 1 2 214.312 2.909 20 30 BFEDLO CC[N@@H+](CC#N)[C@H]1CCCc2ccccc21 ZINC000298108179 135197952 /nfs/dbraw/zinc/19/79/52/135197952.db2.gz LWRFLVHQHQXFFU-AWEZNQCLSA-N 1 2 214.312 2.909 20 30 BFEDLO CCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000298675862 135200264 /nfs/dbraw/zinc/20/02/64/135200264.db2.gz LPLHJOOKOKVVNM-LBPRGKRZSA-N 1 2 232.327 2.677 20 30 BFEDLO CCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000298675862 135200266 /nfs/dbraw/zinc/20/02/66/135200266.db2.gz LPLHJOOKOKVVNM-LBPRGKRZSA-N 1 2 232.327 2.677 20 30 BFEDLO CC[C@H]([NH2+]CCC#N)c1cc(F)ccc1F ZINC000299179320 135201761 /nfs/dbraw/zinc/20/17/61/135201761.db2.gz YYHUOMAZNFTZRA-LBPRGKRZSA-N 1 2 224.254 2.919 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000299165042 135202407 /nfs/dbraw/zinc/20/24/07/135202407.db2.gz NNFXBUPIGQHDGP-QWRGUYRKSA-N 1 2 220.291 2.978 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000299165042 135202408 /nfs/dbraw/zinc/20/24/08/135202408.db2.gz NNFXBUPIGQHDGP-QWRGUYRKSA-N 1 2 220.291 2.978 20 30 BFEDLO 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488029206 /nfs/dbraw/zinc/02/92/06/488029206.db2.gz QABMEBPXHJYRPF-OAHLLOKOSA-N 1 2 231.314 2.862 20 30 BFEDLO C[C@@]1(F)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000295457708 488029210 /nfs/dbraw/zinc/02/92/10/488029210.db2.gz QABMEBPXHJYRPF-OAHLLOKOSA-N 1 2 231.314 2.862 20 30 BFEDLO CCC#C[C@H](C)[N@H+](C)Cc1nccn1C(F)F ZINC000677477683 488047059 /nfs/dbraw/zinc/04/70/59/488047059.db2.gz SGYMPLKAAZHXCY-JTQLQIEISA-N 1 2 241.285 2.512 20 30 BFEDLO CCC#C[C@H](C)[N@@H+](C)Cc1nccn1C(F)F ZINC000677477683 488047064 /nfs/dbraw/zinc/04/70/64/488047064.db2.gz SGYMPLKAAZHXCY-JTQLQIEISA-N 1 2 241.285 2.512 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(CC)s1 ZINC000683793061 488224236 /nfs/dbraw/zinc/22/42/36/488224236.db2.gz OHLPPDBXOGAFRH-SNVBAGLBSA-N 1 2 237.372 2.641 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(CC)s1 ZINC000683793061 488224238 /nfs/dbraw/zinc/22/42/38/488224238.db2.gz OHLPPDBXOGAFRH-SNVBAGLBSA-N 1 2 237.372 2.641 20 30 BFEDLO C=CC[N@H+](Cc1noc2c1CCCC2)C1CC1 ZINC000678537148 488264915 /nfs/dbraw/zinc/26/49/15/488264915.db2.gz LFTCZWLUBNFQJX-UHFFFAOYSA-N 1 2 232.327 2.704 20 30 BFEDLO C=CC[N@@H+](Cc1noc2c1CCCC2)C1CC1 ZINC000678537148 488264917 /nfs/dbraw/zinc/26/49/17/488264917.db2.gz LFTCZWLUBNFQJX-UHFFFAOYSA-N 1 2 232.327 2.704 20 30 BFEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1F ZINC000679221737 488320003 /nfs/dbraw/zinc/32/00/03/488320003.db2.gz LPYSJTWADCLSHT-IUODEOHRSA-N 1 2 249.304 2.857 20 30 BFEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1F ZINC000679221737 488320004 /nfs/dbraw/zinc/32/00/04/488320004.db2.gz LPYSJTWADCLSHT-IUODEOHRSA-N 1 2 249.304 2.857 20 30 BFEDLO C=CCOCCNc1[nH+]ccc2ccc(F)cc21 ZINC000679471684 488353180 /nfs/dbraw/zinc/35/31/80/488353180.db2.gz QMQPDLQRIBKMRO-UHFFFAOYSA-N 1 2 246.285 2.988 20 30 BFEDLO Cc1cncc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602981112 491088101 /nfs/dbraw/zinc/08/81/01/491088101.db2.gz ZSAWWXBEKBQAFK-KBPBESRZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cncc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602981112 491088102 /nfs/dbraw/zinc/08/81/02/491088102.db2.gz ZSAWWXBEKBQAFK-KBPBESRZSA-N 1 2 229.327 2.514 20 30 BFEDLO C[N@H+](CC#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000335996921 536164895 /nfs/dbraw/zinc/16/48/95/536164895.db2.gz CNFPZFNNXDLTIT-KBPBESRZSA-N 1 2 248.301 2.501 20 30 BFEDLO C[N@@H+](CC#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000335996921 536164900 /nfs/dbraw/zinc/16/49/00/536164900.db2.gz CNFPZFNNXDLTIT-KBPBESRZSA-N 1 2 248.301 2.501 20 30 BFEDLO C=CC[C@H](CC)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000354782204 534381054 /nfs/dbraw/zinc/38/10/54/534381054.db2.gz IZWPUGUJSFNVGZ-KBPBESRZSA-N 1 2 247.338 2.845 20 30 BFEDLO C=CCCC1(C(=O)Nc2cc[nH+]cc2CC)CC1 ZINC000356163288 534632533 /nfs/dbraw/zinc/63/25/33/534632533.db2.gz XTZIQJXSKLVAFO-UHFFFAOYSA-N 1 2 244.338 2.751 20 30 BFEDLO C=CCCCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000175778933 534661610 /nfs/dbraw/zinc/66/16/10/534661610.db2.gz ZEZDAHQTIXQRQK-UHFFFAOYSA-N 1 2 249.358 2.512 20 30 BFEDLO C=CCCCCCN(C)c1cc[nH+]c(C)n1 ZINC000361043636 534677423 /nfs/dbraw/zinc/67/74/23/534677423.db2.gz HTKCXKDCZRISJA-UHFFFAOYSA-N 1 2 219.332 2.968 20 30 BFEDLO C=CCCN(C)c1cc(N(C)CCC=C)[nH+]cn1 ZINC000341358790 534772194 /nfs/dbraw/zinc/77/21/94/534772194.db2.gz CNEFCBUFXVHXCT-UHFFFAOYSA-N 1 2 246.358 2.501 20 30 BFEDLO C=CCCN(C)c1cc[nH+]c2ccncc21 ZINC000341431965 534772859 /nfs/dbraw/zinc/77/28/59/534772859.db2.gz LZGYRFAZGXTUAL-UHFFFAOYSA-N 1 2 213.284 2.642 20 30 BFEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccoc2)no1 ZINC000357405169 534830781 /nfs/dbraw/zinc/83/07/81/534830781.db2.gz RYTGODYYHYILOZ-UHFFFAOYSA-N 1 2 245.282 2.504 20 30 BFEDLO C=CCOCC[N@@H+](CC(F)F)CC1CCC1 ZINC000339058695 534876526 /nfs/dbraw/zinc/87/65/26/534876526.db2.gz UJMKQNYDOZNWCZ-UHFFFAOYSA-N 1 2 233.302 2.556 20 30 BFEDLO C=CCOCC[N@H+](CC(F)F)CC1CCC1 ZINC000339058695 534876528 /nfs/dbraw/zinc/87/65/28/534876528.db2.gz UJMKQNYDOZNWCZ-UHFFFAOYSA-N 1 2 233.302 2.556 20 30 BFEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000079601376 534882218 /nfs/dbraw/zinc/88/22/18/534882218.db2.gz UVYQXWWNCWDCGQ-ZDUSSCGKSA-N 1 2 244.338 2.985 20 30 BFEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000079601376 534882222 /nfs/dbraw/zinc/88/22/22/534882222.db2.gz UVYQXWWNCWDCGQ-ZDUSSCGKSA-N 1 2 244.338 2.985 20 30 BFEDLO C=C(CC)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494280620 526854012 /nfs/dbraw/zinc/85/40/12/526854012.db2.gz XNEXQUYAZCQOSJ-JTQLQIEISA-N 1 2 203.276 2.930 20 30 BFEDLO C=C(CC)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494280620 526854013 /nfs/dbraw/zinc/85/40/13/526854013.db2.gz XNEXQUYAZCQOSJ-JTQLQIEISA-N 1 2 203.276 2.930 20 30 BFEDLO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000371378238 534995886 /nfs/dbraw/zinc/99/58/86/534995886.db2.gz HXOBYBOFLMLEKJ-LLVKDONJSA-N 1 2 248.330 2.536 20 30 BFEDLO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000371378238 534995891 /nfs/dbraw/zinc/99/58/91/534995891.db2.gz HXOBYBOFLMLEKJ-LLVKDONJSA-N 1 2 248.330 2.536 20 30 BFEDLO CC(C)Oc1ccccc1C[N@H+](C)CCC#N ZINC000267103988 535061039 /nfs/dbraw/zinc/06/10/39/535061039.db2.gz YSRIBTJECFDWSG-UHFFFAOYSA-N 1 2 232.327 2.819 20 30 BFEDLO CC(C)Oc1ccccc1C[N@@H+](C)CCC#N ZINC000267103988 535061043 /nfs/dbraw/zinc/06/10/43/535061043.db2.gz YSRIBTJECFDWSG-UHFFFAOYSA-N 1 2 232.327 2.819 20 30 BFEDLO C[N@H+](CCC(C)(C)C#N)Cc1nccs1 ZINC000119705907 536314583 /nfs/dbraw/zinc/31/45/83/536314583.db2.gz XYGJDSWZXSMZCA-UHFFFAOYSA-N 1 2 223.345 2.515 20 30 BFEDLO C[N@@H+](CCC(C)(C)C#N)Cc1nccs1 ZINC000119705907 536314585 /nfs/dbraw/zinc/31/45/85/536314585.db2.gz XYGJDSWZXSMZCA-UHFFFAOYSA-N 1 2 223.345 2.515 20 30 BFEDLO C=C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000268634777 566413478 /nfs/dbraw/zinc/41/34/78/566413478.db2.gz FRISQWGVMYTMBS-TWGQIWQCSA-N 1 2 206.116 2.957 20 30 BFEDLO N#CCC[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000591763825 583138105 /nfs/dbraw/zinc/13/81/05/583138105.db2.gz LBCCRDSJUAYGGG-UHFFFAOYSA-N 1 2 230.645 2.621 20 30 BFEDLO C=CCCCNc1cccc([C@H](C)O)[nH+]1 ZINC000893573745 583166009 /nfs/dbraw/zinc/16/60/09/583166009.db2.gz QSLZWEFKIKHQNF-JTQLQIEISA-N 1 2 206.289 2.513 20 30 BFEDLO C=CCCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893573747 583166064 /nfs/dbraw/zinc/16/60/64/583166064.db2.gz QSLZWEFKIKHQNF-SNVBAGLBSA-N 1 2 206.289 2.513 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1C[C@H]1C ZINC000853161753 588722970 /nfs/dbraw/zinc/72/29/70/588722970.db2.gz ZLRZJEXAVHOIKV-OLZOCXBDSA-N 1 2 244.338 2.942 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1C[C@@H]1C ZINC000853161755 588723167 /nfs/dbraw/zinc/72/31/67/588723167.db2.gz ZLRZJEXAVHOIKV-STQMWFEESA-N 1 2 244.338 2.942 20 30 BFEDLO Cc1[nH+]cc(C=NN[C@H]2CCCCC2(C)C)n1C ZINC000853340784 588735105 /nfs/dbraw/zinc/73/51/05/588735105.db2.gz IMJBDNUOTSDIFJ-ZDUSSCGKSA-N 1 2 248.374 2.621 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(O)cc(Cl)c1 ZINC000891579412 582699202 /nfs/dbraw/zinc/69/92/02/582699202.db2.gz XTRFJNOIYQCPFP-UHFFFAOYSA-N 1 2 238.718 2.781 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(O)cc(Cl)c1 ZINC000891579412 582699204 /nfs/dbraw/zinc/69/92/04/582699204.db2.gz XTRFJNOIYQCPFP-UHFFFAOYSA-N 1 2 238.718 2.781 20 30 BFEDLO CC(C)Cc1ccc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000891716276 582712815 /nfs/dbraw/zinc/71/28/15/582712815.db2.gz NDPHTTIDXBHENN-CYBMUJFWSA-N 1 2 245.370 2.872 20 30 BFEDLO CC(C)Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000891716276 582712817 /nfs/dbraw/zinc/71/28/17/582712817.db2.gz NDPHTTIDXBHENN-CYBMUJFWSA-N 1 2 245.370 2.872 20 30 BFEDLO CC[N@@H+](Cc1cnn(C2CCC2)c1)C[C@@H](C)C#N ZINC000891715817 582713219 /nfs/dbraw/zinc/71/32/19/582713219.db2.gz HEFHXYAYWJLGFP-LBPRGKRZSA-N 1 2 246.358 2.590 20 30 BFEDLO CC[N@H+](Cc1cnn(C2CCC2)c1)C[C@@H](C)C#N ZINC000891715817 582713221 /nfs/dbraw/zinc/71/32/21/582713221.db2.gz HEFHXYAYWJLGFP-LBPRGKRZSA-N 1 2 246.358 2.590 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000891716535 582713525 /nfs/dbraw/zinc/71/35/25/582713525.db2.gz ROZPHCNKDHQDQI-SECBINFHSA-N 1 2 238.718 2.637 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC[C@H]1CC1(F)F ZINC000856719715 588875097 /nfs/dbraw/zinc/87/50/97/588875097.db2.gz WJPDFSIXLYKQFL-CYANDVJASA-N 1 2 225.238 2.856 20 30 BFEDLO CCc1cc(NCC2(CC#N)CC2)nc(CC)[nH+]1 ZINC000893649418 583186936 /nfs/dbraw/zinc/18/69/36/583186936.db2.gz SXLIKDPGWPEMLF-UHFFFAOYSA-N 1 2 244.342 2.707 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc2c1NCCC2 ZINC000893962651 583258052 /nfs/dbraw/zinc/25/80/52/583258052.db2.gz QPSBCIOUJKMULP-GFCCVEGCSA-N 1 2 243.354 2.636 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000893962651 583258055 /nfs/dbraw/zinc/25/80/55/583258055.db2.gz QPSBCIOUJKMULP-GFCCVEGCSA-N 1 2 243.354 2.636 20 30 BFEDLO Cc1coc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000893960057 583263043 /nfs/dbraw/zinc/26/30/43/583263043.db2.gz QNQLLEOMYRMNJT-UHFFFAOYSA-N 1 2 206.289 2.712 20 30 BFEDLO Cc1coc(C[N@H+](CCC#N)C(C)C)c1 ZINC000893960057 583263045 /nfs/dbraw/zinc/26/30/45/583263045.db2.gz QNQLLEOMYRMNJT-UHFFFAOYSA-N 1 2 206.289 2.712 20 30 BFEDLO CO[C@@H](C)CC/[NH+]=C/c1cc(Cl)ccc1O ZINC000726428772 583353307 /nfs/dbraw/zinc/35/33/07/583353307.db2.gz FATWXYGXZDBRQO-PFMRQGHBSA-N 1 2 241.718 2.890 20 30 BFEDLO CC(C)c1c[nH]c(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000894430807 583458183 /nfs/dbraw/zinc/45/81/83/583458183.db2.gz GHCIVMZYOBMRPZ-UHFFFAOYSA-N 1 2 246.358 2.659 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(SC)o1 ZINC000894469953 583468903 /nfs/dbraw/zinc/46/89/03/583468903.db2.gz SCABLIYAXXXFAZ-VIFPVBQESA-N 1 2 224.329 2.783 20 30 BFEDLO N#CC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC000895142510 583603768 /nfs/dbraw/zinc/60/37/68/583603768.db2.gz RRISOXXRHSLPFR-UHFFFAOYSA-N 1 2 238.334 2.712 20 30 BFEDLO Cc1ccc(C[N@@H+]2Cc3ccncc3C2)cc1C#N ZINC000857881695 588919979 /nfs/dbraw/zinc/91/99/79/588919979.db2.gz YNGKDDTZSRPQOU-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO Cc1ccc(C[N@H+]2Cc3ccncc3C2)cc1C#N ZINC000857881695 588919980 /nfs/dbraw/zinc/91/99/80/588919980.db2.gz YNGKDDTZSRPQOU-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1ccns1 ZINC000895811808 583733119 /nfs/dbraw/zinc/73/31/19/583733119.db2.gz WNOZTXYQWCCLKP-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO C[N@H+](Cc1csc(C#N)c1)Cc1ccns1 ZINC000895811808 583733120 /nfs/dbraw/zinc/73/31/20/583733120.db2.gz WNOZTXYQWCCLKP-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO C=CCCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996648 588929728 /nfs/dbraw/zinc/92/97/28/588929728.db2.gz DEOVHRUEDLKGBO-UHFFFAOYSA-N 1 2 245.326 2.505 20 30 BFEDLO CCOc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896501510 583807521 /nfs/dbraw/zinc/80/75/21/583807521.db2.gz BYQYLVHETUQXFI-AWEZNQCLSA-N 1 2 244.338 2.821 20 30 BFEDLO CCOc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896501510 583807524 /nfs/dbraw/zinc/80/75/24/583807524.db2.gz BYQYLVHETUQXFI-AWEZNQCLSA-N 1 2 244.338 2.821 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)o1 ZINC000896503291 583807849 /nfs/dbraw/zinc/80/78/49/583807849.db2.gz MOGSJHFICKEQRH-LBPRGKRZSA-N 1 2 218.300 2.632 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(C)o1 ZINC000896503291 583807850 /nfs/dbraw/zinc/80/78/50/583807850.db2.gz MOGSJHFICKEQRH-LBPRGKRZSA-N 1 2 218.300 2.632 20 30 BFEDLO N#CC[C@@H]1CC[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000840705914 583840968 /nfs/dbraw/zinc/84/09/68/583840968.db2.gz GHDJHGMXDVNFTJ-VSYSVEPCSA-N 1 2 228.295 2.893 20 30 BFEDLO CC(F)(F)CC/[NH+]=C/c1ccccc1O ZINC000840707624 583849228 /nfs/dbraw/zinc/84/92/28/583849228.db2.gz QEQUSSLZNAAGOJ-RIYZIHGNSA-N 1 2 213.227 2.856 20 30 BFEDLO CC#CC[N@H+](C)Cc1cnc(CC(C)C)s1 ZINC000897167663 583887042 /nfs/dbraw/zinc/88/70/42/583887042.db2.gz OHJGJNNVHOPIFZ-UHFFFAOYSA-N 1 2 236.384 2.797 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cnc(CC(C)C)s1 ZINC000897167663 583887043 /nfs/dbraw/zinc/88/70/43/583887043.db2.gz OHJGJNNVHOPIFZ-UHFFFAOYSA-N 1 2 236.384 2.797 20 30 BFEDLO CCC1(C/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000751889779 583938001 /nfs/dbraw/zinc/93/80/01/583938001.db2.gz CPMXJIZZJQVQLD-ZSOIEALJSA-N 1 2 219.284 2.707 20 30 BFEDLO C#C[C@@H]1CCCCN1c1cc[nH+]c2ccncc21 ZINC000897360983 583939116 /nfs/dbraw/zinc/93/91/16/583939116.db2.gz WBBREPSWJNKWLP-GFCCVEGCSA-N 1 2 237.306 2.622 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H]1CCCc2scnc21 ZINC000858380646 588949749 /nfs/dbraw/zinc/94/97/49/588949749.db2.gz GPMJHBAZUSZGNU-MRVPVSSYSA-N 1 2 228.748 2.863 20 30 BFEDLO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866214624 584116734 /nfs/dbraw/zinc/11/67/34/584116734.db2.gz QBBZYNNBSPQMFY-ZJUUUORDSA-N 1 2 218.300 2.713 20 30 BFEDLO C[C@@H]([NH2+]CC1(C)CC1)c1cccc(C#N)c1O ZINC000866303132 584117490 /nfs/dbraw/zinc/11/74/90/584117490.db2.gz OGPAIYQWEVETJY-SNVBAGLBSA-N 1 2 230.311 2.715 20 30 BFEDLO CCN[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000901278672 584413793 /nfs/dbraw/zinc/41/37/93/584413793.db2.gz GSIIJUXPFHEAMN-UHFFFAOYSA-N 1 2 246.141 2.909 20 30 BFEDLO C(CCCC1CC1)=[NH+]n1nnc2c1CCCC2 ZINC000901329633 584424778 /nfs/dbraw/zinc/42/47/78/584424778.db2.gz ZOGGICKDZOWMFT-UHFFFAOYSA-N 1 2 232.331 2.571 20 30 BFEDLO C#CCCC[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000901413616 584440846 /nfs/dbraw/zinc/44/08/46/584440846.db2.gz YFQOMPNCANJERQ-VIFPVBQESA-N 1 2 207.239 2.576 20 30 BFEDLO Cn1c[nH+]cc1/C=C\C(=O)C1CCCCC1 ZINC000901444412 584446728 /nfs/dbraw/zinc/44/67/28/584446728.db2.gz GFVRWMINZDKTKR-FPLPWBNLSA-N 1 2 218.300 2.583 20 30 BFEDLO CCn1c[nH+]c(CNc2ccc(CC#N)cc2)c1 ZINC000902083118 584521099 /nfs/dbraw/zinc/52/10/99/584521099.db2.gz NWWOQMHLVNGNDR-UHFFFAOYSA-N 1 2 240.310 2.581 20 30 BFEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](F)C1 ZINC000902995610 584708281 /nfs/dbraw/zinc/70/82/81/584708281.db2.gz OGZKIJJZUKWBHD-ZDUSSCGKSA-N 1 2 248.301 2.501 20 30 BFEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](F)C1 ZINC000902995610 584708282 /nfs/dbraw/zinc/70/82/82/584708282.db2.gz OGZKIJJZUKWBHD-ZDUSSCGKSA-N 1 2 248.301 2.501 20 30 BFEDLO N#CC1(C[NH2+][C@@H]2CCCc3scnc32)CCC1 ZINC000903035591 584719121 /nfs/dbraw/zinc/71/91/21/584719121.db2.gz RQTMGHIWACLJDJ-SNVBAGLBSA-N 1 2 247.367 2.804 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccncc1Cl ZINC000903101640 584727399 /nfs/dbraw/zinc/72/73/99/584727399.db2.gz KGLIHUIETAWBIV-SECBINFHSA-N 1 2 237.734 2.935 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C#N)cc1F ZINC000903100783 584727364 /nfs/dbraw/zinc/72/73/64/584727364.db2.gz XREAFTADMXUWJH-SNVBAGLBSA-N 1 2 245.301 2.898 20 30 BFEDLO CCc1cccnc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903100307 584727543 /nfs/dbraw/zinc/72/75/43/584727543.db2.gz NCNYTADVSDLKSX-NSHDSACASA-N 1 2 231.343 2.844 20 30 BFEDLO N#CC1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000903106449 584728717 /nfs/dbraw/zinc/72/87/17/584728717.db2.gz QNVTXGAYHONIKF-GFCCVEGCSA-N 1 2 248.276 2.845 20 30 BFEDLO C=CCC[C@H]([NH2+]Cc1cn(C)cn1)c1ccco1 ZINC000903351358 584755521 /nfs/dbraw/zinc/75/55/21/584755521.db2.gz JZYRQIOKKBMXQC-ZDUSSCGKSA-N 1 2 245.326 2.810 20 30 BFEDLO C=CCON=CCCc1c[nH+]ccc1C ZINC000835013163 584918369 /nfs/dbraw/zinc/91/83/69/584918369.db2.gz JZQKYNRMVYVPFL-UHFFFAOYSA-N 1 2 204.273 2.511 20 30 BFEDLO CCc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)s1 ZINC000731157339 584923090 /nfs/dbraw/zinc/92/30/90/584923090.db2.gz VUCGXTYLGPCDAC-GQCTYLIASA-N 1 2 232.308 2.930 20 30 BFEDLO C=CC1CC[NH+](CC(F)(F)C(F)F)CC1 ZINC000736620818 585008157 /nfs/dbraw/zinc/00/81/57/585008157.db2.gz DGIPMGBPSFKUEO-UHFFFAOYSA-N 1 2 225.229 2.785 20 30 BFEDLO CC(C)[C@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000739425701 585064795 /nfs/dbraw/zinc/06/47/95/585064795.db2.gz HBFTYFMYHFOXKA-WWNSAXIVSA-N 1 2 221.300 2.809 20 30 BFEDLO CC(C)CON=C1CCN(c2cccc[nH+]2)CC1 ZINC000749632502 585204673 /nfs/dbraw/zinc/20/46/73/585204673.db2.gz ZVGDIOLAQBJCFX-UHFFFAOYSA-N 1 2 247.342 2.710 20 30 BFEDLO CC1(C)C[C@@H](/[NH+]=C\c2ccccc2O)CCO1 ZINC000753885597 585271538 /nfs/dbraw/zinc/27/15/38/585271538.db2.gz UKKXGLXWMVYDQY-GQVHDAKQSA-N 1 2 233.311 2.769 20 30 BFEDLO Cc1cc(C)c(NN=Cc2c[nH+]cn2C)c(C)c1 ZINC000755749884 585305667 /nfs/dbraw/zinc/30/56/67/585305667.db2.gz KYDIAPVREFCXBR-UHFFFAOYSA-N 1 2 242.326 2.791 20 30 BFEDLO C#CC[C@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC000756995232 585326255 /nfs/dbraw/zinc/32/62/55/585326255.db2.gz FATPSTSIJVQCBZ-AWEZNQCLSA-N 1 2 242.347 2.997 20 30 BFEDLO C=CC[N@H+](Cn1cc(C)cnc1=S)C(C)C ZINC000758306320 585353767 /nfs/dbraw/zinc/35/37/67/585353767.db2.gz NNXIJQJAZOWHLR-UHFFFAOYSA-N 1 2 237.372 2.775 20 30 BFEDLO C=CC[N@@H+](Cn1cc(C)cnc1=S)C(C)C ZINC000758306320 585353768 /nfs/dbraw/zinc/35/37/68/585353768.db2.gz NNXIJQJAZOWHLR-UHFFFAOYSA-N 1 2 237.372 2.775 20 30 BFEDLO C#CCCCC/[NH+]=C/c1c(O)cccc1OC ZINC000758360714 585354644 /nfs/dbraw/zinc/35/46/44/585354644.db2.gz ZHQGPTZAQPPTLY-RVDMUPIBSA-N 1 2 231.295 2.623 20 30 BFEDLO C=CC[N@@H+](CCF)Cc1cccc(C#N)c1 ZINC000759330586 585367793 /nfs/dbraw/zinc/36/77/93/585367793.db2.gz OIJIGFKCRMZCDU-UHFFFAOYSA-N 1 2 218.275 2.516 20 30 BFEDLO C=CC[N@H+](CCF)Cc1cccc(C#N)c1 ZINC000759330586 585367794 /nfs/dbraw/zinc/36/77/94/585367794.db2.gz OIJIGFKCRMZCDU-UHFFFAOYSA-N 1 2 218.275 2.516 20 30 BFEDLO C[C@H](C[C@@H]1CCOC1)/[NH+]=C/c1ccccc1O ZINC000759643549 585377833 /nfs/dbraw/zinc/37/78/33/585377833.db2.gz MWGHZWUPLCSVGJ-BGAHDCEISA-N 1 2 233.311 2.626 20 30 BFEDLO C[C@H](C[C@@H]1CCOC1)/[NH+]=C\c1ccccc1O ZINC000759643553 585377858 /nfs/dbraw/zinc/37/78/58/585377858.db2.gz MWGHZWUPLCSVGJ-OGJMLENDSA-N 1 2 233.311 2.626 20 30 BFEDLO Cc1ccc(C=NNc2[nH+]ccn2C)cc1Cl ZINC000790301137 585403100 /nfs/dbraw/zinc/40/31/00/585403100.db2.gz CHYSINCQNCOYMM-UHFFFAOYSA-N 1 2 248.717 2.828 20 30 BFEDLO CCCCCCCO[NH+]=C(N)COC(C)C ZINC000764550084 585467487 /nfs/dbraw/zinc/46/74/87/585467487.db2.gz OXYNZABWVBIZLD-UHFFFAOYSA-N 1 2 230.352 2.880 20 30 BFEDLO C#CCCC[N@@H+](C)c1ccc(OCC)cc1 ZINC000766903574 585510966 /nfs/dbraw/zinc/51/09/66/585510966.db2.gz SOSWBNSQRVVUPH-UHFFFAOYSA-N 1 2 217.312 2.935 20 30 BFEDLO C#CCCC[N@H+](C)c1ccc(OCC)cc1 ZINC000766903574 585510967 /nfs/dbraw/zinc/51/09/67/585510967.db2.gz SOSWBNSQRVVUPH-UHFFFAOYSA-N 1 2 217.312 2.935 20 30 BFEDLO C#CCCC[N@@H+](CC)c1ccc(OC)cc1 ZINC000766918027 585511480 /nfs/dbraw/zinc/51/14/80/585511480.db2.gz YSCRSNBUCUNPAL-UHFFFAOYSA-N 1 2 217.312 2.935 20 30 BFEDLO C#CCCC[N@H+](CC)c1ccc(OC)cc1 ZINC000766918027 585511481 /nfs/dbraw/zinc/51/14/81/585511481.db2.gz YSCRSNBUCUNPAL-UHFFFAOYSA-N 1 2 217.312 2.935 20 30 BFEDLO C[C@@H]1CC(/[NH+]=C\c2ccccc2O)C[C@@H](C)O1 ZINC000767878624 585527160 /nfs/dbraw/zinc/52/71/60/585527160.db2.gz OPXNPTXVAWQYLX-HQAZHCQUSA-N 1 2 233.311 2.767 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1cnn(C(C)C)c1 ZINC000768153310 585533136 /nfs/dbraw/zinc/53/31/36/585533136.db2.gz CYCGWFFZADITKO-UHFFFAOYSA-N 1 2 248.374 2.836 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1cnn(C(C)C)c1 ZINC000768153310 585533137 /nfs/dbraw/zinc/53/31/37/585533137.db2.gz CYCGWFFZADITKO-UHFFFAOYSA-N 1 2 248.374 2.836 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000768155322 585533211 /nfs/dbraw/zinc/53/32/11/585533211.db2.gz YRAIAVKKNIUBCU-UHFFFAOYSA-N 1 2 247.367 2.991 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000768155322 585533212 /nfs/dbraw/zinc/53/32/12/585533212.db2.gz YRAIAVKKNIUBCU-UHFFFAOYSA-N 1 2 247.367 2.991 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC000769975743 585568291 /nfs/dbraw/zinc/56/82/91/585568291.db2.gz LEYQJYRFNSWRLA-SNVBAGLBSA-N 1 2 237.730 2.802 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000769975743 585568292 /nfs/dbraw/zinc/56/82/92/585568292.db2.gz LEYQJYRFNSWRLA-SNVBAGLBSA-N 1 2 237.730 2.802 20 30 BFEDLO C=CCCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770910204 585584075 /nfs/dbraw/zinc/58/40/75/585584075.db2.gz IOGDPVWZCCSKTB-UHFFFAOYSA-N 1 2 244.294 2.734 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000773180652 585633218 /nfs/dbraw/zinc/63/32/18/585633218.db2.gz DZUSIMXVFONFHO-UHFFFAOYSA-N 1 2 238.718 2.943 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)c1cccc(OC)c1 ZINC000773178269 585633275 /nfs/dbraw/zinc/63/32/75/585633275.db2.gz XYBXVWPUYCVJKA-UHFFFAOYSA-N 1 2 234.299 2.508 20 30 BFEDLO Cc1ccc(CCC=NO[C@H]2CCCCO2)c[nH+]1 ZINC000774393225 585657234 /nfs/dbraw/zinc/65/72/34/585657234.db2.gz IYFJUCPKGFKOQP-AWEZNQCLSA-N 1 2 248.326 2.852 20 30 BFEDLO C(=NOC1CCCC1)c1cccc2[nH+]ccn21 ZINC000774601540 585661830 /nfs/dbraw/zinc/66/18/30/585661830.db2.gz DAIHQXHNBNTYAJ-UHFFFAOYSA-N 1 2 229.283 2.627 20 30 BFEDLO C#CC[N@@H+](CC)Cc1cc(F)ccc1Cl ZINC000782507500 585819192 /nfs/dbraw/zinc/81/91/92/585819192.db2.gz MNGILTOCELFTNH-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C#CC[N@H+](CC)Cc1cc(F)ccc1Cl ZINC000782507500 585819193 /nfs/dbraw/zinc/81/91/93/585819193.db2.gz MNGILTOCELFTNH-UHFFFAOYSA-N 1 2 225.694 2.934 20 30 BFEDLO C=C(Cl)CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000783253202 585832425 /nfs/dbraw/zinc/83/24/25/585832425.db2.gz YGOKGRCNNZPCRS-GFCCVEGCSA-N 1 2 247.729 2.841 20 30 BFEDLO CC(C)CON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783856781 585844797 /nfs/dbraw/zinc/84/47/97/585844797.db2.gz KDYJYQKDICDYNZ-UHFFFAOYSA-N 1 2 249.339 2.940 20 30 BFEDLO CCCCCCC[N@@H+]1CC[C@](F)(C#N)C1 ZINC000786439353 585891606 /nfs/dbraw/zinc/89/16/06/585891606.db2.gz ZMBLWSWJAPLBTC-LBPRGKRZSA-N 1 2 212.312 2.894 20 30 BFEDLO CCCCCCC[N@H+]1CC[C@](F)(C#N)C1 ZINC000786439353 585891607 /nfs/dbraw/zinc/89/16/07/585891607.db2.gz ZMBLWSWJAPLBTC-LBPRGKRZSA-N 1 2 212.312 2.894 20 30 BFEDLO Cc1cc(C)c(C=[NH+][N-]c2[nH+]ccn2C)cc1C ZINC000790305666 585963262 /nfs/dbraw/zinc/96/32/62/585963262.db2.gz MCKWTJPAEGPLBH-UHFFFAOYSA-N 1 2 242.326 2.791 20 30 BFEDLO C#CC[N@@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000859275639 589026963 /nfs/dbraw/zinc/02/69/63/589026963.db2.gz PREJHJGQAIURPO-UHFFFAOYSA-N 1 2 230.336 2.670 20 30 BFEDLO C#CC[N@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000859275639 589026964 /nfs/dbraw/zinc/02/69/64/589026964.db2.gz PREJHJGQAIURPO-UHFFFAOYSA-N 1 2 230.336 2.670 20 30 BFEDLO CC[C@H](C)N=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000792643193 586003659 /nfs/dbraw/zinc/00/36/59/586003659.db2.gz QHYRTHUBTLHBFX-LBPRGKRZSA-N 1 2 245.370 2.766 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1ccc2occc2c1 ZINC000794937569 586056500 /nfs/dbraw/zinc/05/65/00/586056500.db2.gz YCYZHEJWFNONBF-UHFFFAOYSA-N 1 2 240.266 2.612 20 30 BFEDLO C#CC[N@@H+](C/C=C\Cl)Cc1ccccc1 ZINC000796641329 586109032 /nfs/dbraw/zinc/10/90/32/586109032.db2.gz OXEGFHIWFDZGQG-TWGQIWQCSA-N 1 2 219.715 2.874 20 30 BFEDLO C#CC[N@H+](C/C=C\Cl)Cc1ccccc1 ZINC000796641329 586109033 /nfs/dbraw/zinc/10/90/33/586109033.db2.gz OXEGFHIWFDZGQG-TWGQIWQCSA-N 1 2 219.715 2.874 20 30 BFEDLO Cn1c[nH+]c(/C=C2/CCc3ccccc3C2=O)c1 ZINC000798231455 586141230 /nfs/dbraw/zinc/14/12/30/586141230.db2.gz HQXAKZLLYBZWQR-WQLSENKSSA-N 1 2 238.290 2.633 20 30 BFEDLO C#C[C@H](C)N(C)c1cc[nH+]c2c(OC)cccc12 ZINC000799323093 586171883 /nfs/dbraw/zinc/17/18/83/586171883.db2.gz QEEHFDFIQYTUSP-NSHDSACASA-N 1 2 240.306 2.701 20 30 BFEDLO C[NH+](C)c1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000799722192 586194908 /nfs/dbraw/zinc/19/49/08/586194908.db2.gz KKYUBNHTZDORTG-WCQYABFASA-N 1 2 229.327 2.857 20 30 BFEDLO CN(C)c1ccc([NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000799722192 586194909 /nfs/dbraw/zinc/19/49/09/586194909.db2.gz KKYUBNHTZDORTG-WCQYABFASA-N 1 2 229.327 2.857 20 30 BFEDLO Cc1ccc(C)c(C(=O)/C=C\c2cn(C)c[nH+]2)c1 ZINC000800792268 586228717 /nfs/dbraw/zinc/22/87/17/586228717.db2.gz PRYSPLSLUAXUEN-SREVYHEPSA-N 1 2 240.306 2.933 20 30 BFEDLO C#Cc1ccc(CNc2c[nH+]ccc2OC)cc1 ZINC000809628360 586509698 /nfs/dbraw/zinc/50/96/98/586509698.db2.gz VTKMYARGDLHABY-UHFFFAOYSA-N 1 2 238.290 2.684 20 30 BFEDLO C=CCCCCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000811590329 586561451 /nfs/dbraw/zinc/56/14/51/586561451.db2.gz XLIJJTQDSMBAIV-UHFFFAOYSA-N 1 2 249.358 2.975 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CCCc1nccs1 ZINC000811625016 586562179 /nfs/dbraw/zinc/56/21/79/586562179.db2.gz ALHZKDIIIJCGBV-UVTDQMKNSA-N 1 2 246.335 2.900 20 30 BFEDLO C[N@H+](Cc1cccc(Cl)n1)CC(C)(C)C#N ZINC000814670481 586628225 /nfs/dbraw/zinc/62/82/25/586628225.db2.gz UUCIYCCHMNAKBT-UHFFFAOYSA-N 1 2 237.734 2.717 20 30 BFEDLO C[N@@H+](Cc1cccc(Cl)n1)CC(C)(C)C#N ZINC000814670481 586628226 /nfs/dbraw/zinc/62/82/26/586628226.db2.gz UUCIYCCHMNAKBT-UHFFFAOYSA-N 1 2 237.734 2.717 20 30 BFEDLO Cc1ccc(C(C)N=Nc2ccccn2)c(C)[nH+]1 ZINC000814731458 586630522 /nfs/dbraw/zinc/63/05/22/586630522.db2.gz AJEWGWVFOGRQHL-UHFFFAOYSA-N 1 2 240.310 2.930 20 30 BFEDLO C#CC[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000859765124 589059346 /nfs/dbraw/zinc/05/93/46/589059346.db2.gz GWDBTTLWDOMFIC-UHFFFAOYSA-N 1 2 239.240 2.697 20 30 BFEDLO C#CC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000859765124 589059348 /nfs/dbraw/zinc/05/93/48/589059348.db2.gz GWDBTTLWDOMFIC-UHFFFAOYSA-N 1 2 239.240 2.697 20 30 BFEDLO C=C(Cl)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000859833261 589064717 /nfs/dbraw/zinc/06/47/17/589064717.db2.gz DNTDTANUJFYSDY-QMMMGPOBSA-N 1 2 209.667 2.859 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000859833261 589064719 /nfs/dbraw/zinc/06/47/19/589064719.db2.gz DNTDTANUJFYSDY-QMMMGPOBSA-N 1 2 209.667 2.859 20 30 BFEDLO c1c[nH+]c2c(c1)CCC(=NOC1CCC1)CC2 ZINC000817328569 586794763 /nfs/dbraw/zinc/79/47/63/586794763.db2.gz GQYJLRBGNWPTGO-UHFFFAOYSA-N 1 2 230.311 2.886 20 30 BFEDLO C#CC[NH+](CC#C)Cc1cc2ccc(C)cc2[nH]1 ZINC000824826361 587289037 /nfs/dbraw/zinc/28/90/37/587289037.db2.gz YVVXOZQSBZMYAW-UHFFFAOYSA-N 1 2 236.318 2.545 20 30 BFEDLO C#CC[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000826578894 587355536 /nfs/dbraw/zinc/35/55/36/587355536.db2.gz NPDZCUCUMDTOLC-LBPRGKRZSA-N 1 2 239.322 2.803 20 30 BFEDLO C#CC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000826714463 587359828 /nfs/dbraw/zinc/35/98/28/587359828.db2.gz AWKREJBQOJFEEE-UHFFFAOYSA-N 1 2 241.338 2.512 20 30 BFEDLO CC(C)CC(=O)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000828217962 587424621 /nfs/dbraw/zinc/42/46/21/587424621.db2.gz TYGKQQWVFVHSFP-CQSZACIVSA-N 1 2 236.359 2.617 20 30 BFEDLO CC(C)CC(=O)CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000828217962 587424622 /nfs/dbraw/zinc/42/46/22/587424622.db2.gz TYGKQQWVFVHSFP-CQSZACIVSA-N 1 2 236.359 2.617 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccco1 ZINC000828812112 587462399 /nfs/dbraw/zinc/46/23/99/587462399.db2.gz RBGYOFQEHXTUCR-SNVBAGLBSA-N 1 2 204.273 2.624 20 30 BFEDLO C=CCC1(C(=O)OCCn2cc[nH+]c2)CCCC1 ZINC000835349704 587797979 /nfs/dbraw/zinc/79/79/79/587797979.db2.gz JNEQAUHLLWBXKD-UHFFFAOYSA-N 1 2 248.326 2.563 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/CC(C)(C)CC#N)c1 ZINC000840710619 587917779 /nfs/dbraw/zinc/91/77/79/587917779.db2.gz KYHUZBNPUYCQRW-CXUHLZMHSA-N 1 2 246.310 2.760 20 30 BFEDLO CC(NNc1[nH+]cncc1Cl)=C1CC1(F)F ZINC000841637145 587964082 /nfs/dbraw/zinc/96/40/82/587964082.db2.gz GTZRPZFCLLEAQT-LURJTMIESA-N 1 2 246.648 2.573 20 30 BFEDLO C[C@@H]1SCC[C@@H]1/[NH+]=C\c1ccccc1O ZINC000843265212 588096416 /nfs/dbraw/zinc/09/64/16/588096416.db2.gz VJKGPTCNNMSBFG-WZHYOUIESA-N 1 2 221.325 2.705 20 30 BFEDLO C[C@@H]1SCC[C@@H]1/[NH+]=C/c1ccccc1O ZINC000843265214 588096727 /nfs/dbraw/zinc/09/67/27/588096727.db2.gz VJKGPTCNNMSBFG-YJQMCFEWSA-N 1 2 221.325 2.705 20 30 BFEDLO C=C[C@@H](C)ON=C1CCN(c2cccc[nH+]2)CC1 ZINC000844626165 588211606 /nfs/dbraw/zinc/21/16/06/588211606.db2.gz ZJCBURKKKBPSLN-GFCCVEGCSA-N 1 2 245.326 2.629 20 30 BFEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC000846116784 588257927 /nfs/dbraw/zinc/25/79/27/588257927.db2.gz HODWKIYKMQHOJI-CQSZACIVSA-N 1 2 240.306 2.567 20 30 BFEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000846116784 588257928 /nfs/dbraw/zinc/25/79/28/588257928.db2.gz HODWKIYKMQHOJI-CQSZACIVSA-N 1 2 240.306 2.567 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000846871938 588294581 /nfs/dbraw/zinc/29/45/81/588294581.db2.gz KSDUMNXYDVGGMF-UHFFFAOYSA-N 1 2 207.704 2.713 20 30 BFEDLO C#CC[N@H+](C)Cc1ccc(C)cc1Cl ZINC000846871938 588294582 /nfs/dbraw/zinc/29/45/82/588294582.db2.gz KSDUMNXYDVGGMF-UHFFFAOYSA-N 1 2 207.704 2.713 20 30 BFEDLO CC[C@H](CC#N)[NH2+]C/C(Cl)=C\Cl ZINC000846989347 588300541 /nfs/dbraw/zinc/30/05/41/588300541.db2.gz ZJCNEXDSDUTDBP-WVXIBAHESA-N 1 2 207.104 2.587 20 30 BFEDLO c1cn(CCCNN=C2CCC23CCCC3)c[nH+]1 ZINC000848417071 588381522 /nfs/dbraw/zinc/38/15/22/588381522.db2.gz JTKXMHDTNIETMI-UHFFFAOYSA-N 1 2 246.358 2.573 20 30 BFEDLO CCC(=NNCCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000848416338 588381597 /nfs/dbraw/zinc/38/15/97/588381597.db2.gz HUDCIVMXZNRHQW-LBPRGKRZSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@H]1CCCC(N=NCCCn2cc[nH+]c2)[C@H]1C ZINC000848419427 588381991 /nfs/dbraw/zinc/38/19/91/588381991.db2.gz XPAMTHDWVUZFQP-STQMWFEESA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@H]1CC(N=NCCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000848418223 588382351 /nfs/dbraw/zinc/38/23/51/588382351.db2.gz JWXUGVBWVDMRGI-BETUJISGSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@@H]1CCCC(N=NCCCn2cc[nH+]c2)[C@@H]1C ZINC000848419424 588382471 /nfs/dbraw/zinc/38/24/71/588382471.db2.gz XPAMTHDWVUZFQP-CHWSQXEVSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@@H]1CCCC[C@H]1C=NNCCCn1cc[nH+]c1 ZINC000848417413 588382508 /nfs/dbraw/zinc/38/25/08/588382508.db2.gz YRSRZLHLYXFYCX-KGLIPLIRSA-N 1 2 248.374 2.675 20 30 BFEDLO C#C[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000848751357 588411631 /nfs/dbraw/zinc/41/16/31/588411631.db2.gz XQFYWRFZDFJEAT-GFCCVEGCSA-N 1 2 241.338 2.512 20 30 BFEDLO C=CCC/[NH+]=C/c1cc(OCC)ccc1O ZINC000849171147 588459683 /nfs/dbraw/zinc/45/96/83/588459683.db2.gz YTXCXUAKQURSBC-GXDHUFHOSA-N 1 2 219.284 2.786 20 30 BFEDLO C=CCC/[NH+]=C/c1cccc(OCC)c1O ZINC000849170968 588459739 /nfs/dbraw/zinc/45/97/39/588459739.db2.gz XSEBFXIAIRSDGK-GXDHUFHOSA-N 1 2 219.284 2.786 20 30 BFEDLO COc1cccc(/C=[NH+]/CCC(C)(C)F)c1O ZINC000849172300 588459886 /nfs/dbraw/zinc/45/98/86/588459886.db2.gz POLDYMVPCZHYBC-OQLLNIDSSA-N 1 2 239.290 2.958 20 30 BFEDLO CC[C@H](/[NH+]=C/c1ccccc1O)C1CC1 ZINC000849172555 588460044 /nfs/dbraw/zinc/46/00/44/588460044.db2.gz UVGLOGUQZNMLQV-IGVUGNCQSA-N 1 2 203.285 3.000 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(CCCC)no1 ZINC000852099294 588662660 /nfs/dbraw/zinc/66/26/60/588662660.db2.gz JHJSLZAOFGFPNJ-RISCZKNCSA-N 1 2 249.358 2.865 20 30 BFEDLO CC[N@@H+](Cc1ccnc(F)c1C)C[C@H](C)C#N ZINC000862227684 589195274 /nfs/dbraw/zinc/19/52/74/589195274.db2.gz GBDGMZCNEWSSQN-SNVBAGLBSA-N 1 2 235.306 2.511 20 30 BFEDLO CC[N@H+](Cc1ccnc(F)c1C)C[C@H](C)C#N ZINC000862227684 589195275 /nfs/dbraw/zinc/19/52/75/589195275.db2.gz GBDGMZCNEWSSQN-SNVBAGLBSA-N 1 2 235.306 2.511 20 30 BFEDLO Cc1c(F)nccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000862321145 589200525 /nfs/dbraw/zinc/20/05/25/589200525.db2.gz YUHSIRPFAZMJEL-CQSZACIVSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1c(F)nccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000862321145 589200526 /nfs/dbraw/zinc/20/05/26/589200526.db2.gz YUHSIRPFAZMJEL-CQSZACIVSA-N 1 2 247.317 2.655 20 30 BFEDLO C(=[NH+]n1cccn1)[C@@H]1CCCc2ccccc21 ZINC000863164347 589266515 /nfs/dbraw/zinc/26/65/15/589266515.db2.gz HEIWFTISQMCKJR-ZDUSSCGKSA-N 1 2 225.295 2.837 20 30 BFEDLO Cc1ccccc1C1CC(=[NH+]n2cccn2)C1 ZINC000863166351 589267056 /nfs/dbraw/zinc/26/70/56/589267056.db2.gz YAJVEUYWQNBNFX-UHFFFAOYSA-N 1 2 225.295 2.973 20 30 BFEDLO CC(C)c1[nH+]cc(-c2ccc(O)cc2C#N)n1C ZINC000863975701 589331679 /nfs/dbraw/zinc/33/16/79/589331679.db2.gz XGIJJNJBBJLVAV-UHFFFAOYSA-N 1 2 241.294 2.788 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CC[C@H]1CCCOC1 ZINC000864344868 589354090 /nfs/dbraw/zinc/35/40/90/589354090.db2.gz ISSOYEBUUODXKL-DYTQJMLRSA-N 1 2 233.311 2.628 20 30 BFEDLO Oc1ccccc1/C=[NH+]\[C@@H]1C[C@H]1C1CCOCC1 ZINC000864348212 589354517 /nfs/dbraw/zinc/35/45/17/589354517.db2.gz HEOFEOCNFRRIHD-IYFMVNHVSA-N 1 2 245.322 2.626 20 30 BFEDLO C[C@H](C#N)[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000864354629 589355162 /nfs/dbraw/zinc/35/51/62/589355162.db2.gz FORONVMALLZFHP-DOMZBBRYSA-N 1 2 243.354 2.685 20 30 BFEDLO C[C@@H](C#N)[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000864354634 589355241 /nfs/dbraw/zinc/35/52/41/589355241.db2.gz FORONVMALLZFHP-WFASDCNBSA-N 1 2 243.354 2.685 20 30 BFEDLO CC1(CNc2[nH]c3cc(C#N)ccc3[nH+]2)CC1 ZINC000865295263 589419984 /nfs/dbraw/zinc/41/99/84/589419984.db2.gz DPQVCCRMZOMNPQ-UHFFFAOYSA-N 1 2 226.283 2.647 20 30 BFEDLO CC1(CNc2[nH]c3ccc(C#N)cc3[nH+]2)CC1 ZINC000865295263 589419985 /nfs/dbraw/zinc/41/99/85/589419985.db2.gz DPQVCCRMZOMNPQ-UHFFFAOYSA-N 1 2 226.283 2.647 20 30 BFEDLO C=C(C)COCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865614839 589451502 /nfs/dbraw/zinc/45/15/02/589451502.db2.gz RFJGQSHLRMZBOZ-UHFFFAOYSA-N 1 2 249.358 2.680 20 30 BFEDLO C=CCN(c1[nH+]cnc2[nH]c(Cl)cc21)C1CC1 ZINC000865655624 589454608 /nfs/dbraw/zinc/45/46/08/589454608.db2.gz GQWBJIKSYLNXAS-UHFFFAOYSA-N 1 2 248.717 2.718 20 30 BFEDLO C[C@@H]([NH2+]C1CC=CC1)c1cccc(C#N)c1O ZINC000866285555 589484277 /nfs/dbraw/zinc/48/42/77/589484277.db2.gz NFTMMDCTFCBHLX-SNVBAGLBSA-N 1 2 228.295 2.633 20 30 BFEDLO CC(C)=CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866348207 589487540 /nfs/dbraw/zinc/48/75/40/589487540.db2.gz QFRNKMVMCVYNSE-LLVKDONJSA-N 1 2 230.311 2.881 20 30 BFEDLO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc(C#N)c1O ZINC000866359325 589488107 /nfs/dbraw/zinc/48/81/07/589488107.db2.gz SFYCLTRYLFCLAH-GBIKHYSHSA-N 1 2 230.311 2.713 20 30 BFEDLO C=C(CC)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866369376 589488459 /nfs/dbraw/zinc/48/84/59/589488459.db2.gz LANHMNHELMGRPM-LLVKDONJSA-N 1 2 230.311 2.881 20 30 BFEDLO CN(C)c1ccc([NH2+][C@@H]2CC[C@H](C#N)C2)cc1F ZINC000866626399 589505782 /nfs/dbraw/zinc/50/57/82/589505782.db2.gz UBRIDQUBAWUABI-WDEREUQCSA-N 1 2 247.317 2.996 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1nc(Cl)cs1 ZINC000877165630 590295008 /nfs/dbraw/zinc/29/50/08/590295008.db2.gz OHIMDFJHVCTHTC-UHFFFAOYSA-N 1 2 216.737 2.804 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1nc(Cl)cs1 ZINC000877165630 590295009 /nfs/dbraw/zinc/29/50/09/590295009.db2.gz OHIMDFJHVCTHTC-UHFFFAOYSA-N 1 2 216.737 2.804 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877166314 590294797 /nfs/dbraw/zinc/29/47/97/590294797.db2.gz ZXLDDAMRWZVJGE-UHFFFAOYSA-N 1 2 235.718 2.615 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877166314 590294798 /nfs/dbraw/zinc/29/47/98/590294798.db2.gz ZXLDDAMRWZVJGE-UHFFFAOYSA-N 1 2 235.718 2.615 20 30 BFEDLO C=CC[N@H+](Cc1nc(Cl)cs1)C1CC1 ZINC000877328968 590317729 /nfs/dbraw/zinc/31/77/29/590317729.db2.gz MXBDIRSAUKRDKZ-UHFFFAOYSA-N 1 2 228.748 2.947 20 30 BFEDLO C=CC[N@@H+](Cc1nc(Cl)cs1)C1CC1 ZINC000877328968 590317726 /nfs/dbraw/zinc/31/77/26/590317726.db2.gz MXBDIRSAUKRDKZ-UHFFFAOYSA-N 1 2 228.748 2.947 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nn1 ZINC000877483535 590337794 /nfs/dbraw/zinc/33/77/94/590337794.db2.gz OXESSHFXZJHKMK-LLVKDONJSA-N 1 2 237.734 2.671 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000877483535 590337797 /nfs/dbraw/zinc/33/77/97/590337797.db2.gz OXESSHFXZJHKMK-LLVKDONJSA-N 1 2 237.734 2.671 20 30 BFEDLO CCOc1cccc(F)c1C[NH2+]CC1(C#N)CC1 ZINC000877494811 590340845 /nfs/dbraw/zinc/34/08/45/590340845.db2.gz UIRJVZMATZZVTJ-UHFFFAOYSA-N 1 2 248.301 2.618 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)nc1Cl ZINC000878188012 590519975 /nfs/dbraw/zinc/51/99/75/590519975.db2.gz CKNOSOZAZMCSDG-JTQLQIEISA-N 1 2 237.734 2.777 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)nc1Cl ZINC000878188012 590519976 /nfs/dbraw/zinc/51/99/76/590519976.db2.gz CKNOSOZAZMCSDG-JTQLQIEISA-N 1 2 237.734 2.777 20 30 BFEDLO C=CC[C@H]([NH2+][C@@H](CC)c1ccccc1)C(=O)OC ZINC000878348088 590553070 /nfs/dbraw/zinc/55/30/70/590553070.db2.gz DWFAODYOFWDSMX-KBPBESRZSA-N 1 2 247.338 2.845 20 30 BFEDLO C=CC(C)(C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000878823506 590628621 /nfs/dbraw/zinc/62/86/21/590628621.db2.gz YFVALKMQXIOJEN-UHFFFAOYSA-N 1 2 243.310 2.875 20 30 BFEDLO CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)C#N ZINC000878986954 590669547 /nfs/dbraw/zinc/66/95/47/590669547.db2.gz BPTPXSFFDLAVIL-LLVKDONJSA-N 1 2 206.333 2.801 20 30 BFEDLO CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)C#N ZINC000878986954 590669544 /nfs/dbraw/zinc/66/95/44/590669544.db2.gz BPTPXSFFDLAVIL-LLVKDONJSA-N 1 2 206.333 2.801 20 30 BFEDLO CC[N@H+](C[C@H]1CC(C)(C)OC1(C)C)[C@@H](C)C#N ZINC000878986922 590669810 /nfs/dbraw/zinc/66/98/10/590669810.db2.gz AVSCZWVGXSXFOU-NWDGAFQWSA-N 1 2 238.375 2.814 20 30 BFEDLO CC[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)[C@@H](C)C#N ZINC000878986922 590669814 /nfs/dbraw/zinc/66/98/14/590669814.db2.gz AVSCZWVGXSXFOU-NWDGAFQWSA-N 1 2 238.375 2.814 20 30 BFEDLO C#C[C@@](C)(CC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000879527521 590790063 /nfs/dbraw/zinc/79/00/63/590790063.db2.gz QOTCGMMOGOCODO-AWEZNQCLSA-N 1 2 245.326 2.622 20 30 BFEDLO C=CCCC[C@@H]([NH2+]CC(=O)OC)c1ccccc1 ZINC000880388218 591018702 /nfs/dbraw/zinc/01/87/02/591018702.db2.gz KDHKSTIRHKWWSY-CQSZACIVSA-N 1 2 247.338 2.847 20 30 BFEDLO C=CC[C@H]1CCCN(c2nc[nH+]c(C)c2C)C1 ZINC000882602580 591397551 /nfs/dbraw/zinc/39/75/51/591397551.db2.gz WTFLTVRNTVRCEC-ZDUSSCGKSA-N 1 2 231.343 2.886 20 30 BFEDLO C=CC[C@@H]([NH2+]Cc1cc(C)on1)c1ccncc1 ZINC000883003232 591504627 /nfs/dbraw/zinc/50/46/27/591504627.db2.gz FPNDIESAENJFGB-CQSZACIVSA-N 1 2 243.310 2.785 20 30 BFEDLO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(C#N)c1O ZINC000883245831 591587527 /nfs/dbraw/zinc/58/75/27/591587527.db2.gz SOCBVMRFZAKAAK-VXGBXAGGSA-N 1 2 242.322 2.881 20 30 BFEDLO N#CCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000134883055 591956468 /nfs/dbraw/zinc/95/64/68/591956468.db2.gz ANJQZTCOGFHIFZ-UHFFFAOYSA-N 1 2 246.207 2.848 20 30 BFEDLO C[C@@H]1CC[N@H+](CC#N)[C@@H]1c1ccccc1 ZINC000886545857 592255328 /nfs/dbraw/zinc/25/53/28/592255328.db2.gz UGBHKAYHJOTTPF-YPMHNXCESA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@@H]1CC[N@@H+](CC#N)[C@@H]1c1ccccc1 ZINC000886545857 592255329 /nfs/dbraw/zinc/25/53/29/592255329.db2.gz UGBHKAYHJOTTPF-YPMHNXCESA-N 1 2 200.285 2.593 20 30 BFEDLO N#C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570760 592263580 /nfs/dbraw/zinc/26/35/80/592263580.db2.gz WQCLGAKXWSNYOR-MJBXVCDLSA-N 1 2 244.363 2.546 20 30 BFEDLO N#C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886570760 592263582 /nfs/dbraw/zinc/26/35/82/592263582.db2.gz WQCLGAKXWSNYOR-MJBXVCDLSA-N 1 2 244.363 2.546 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1C=CCC1 ZINC000887268288 592473586 /nfs/dbraw/zinc/47/35/86/592473586.db2.gz HVBKENMYBWSTLK-ZTMOJVSCSA-N 1 2 201.269 2.777 20 30 BFEDLO CCO[NH+]=C(C)c1ccc(N)cc1Cl ZINC000308669658 631476444 /nfs/dbraw/zinc/47/64/44/631476444.db2.gz UTFVIUMUCZHEEL-UHFFFAOYSA-N 1 2 212.680 2.683 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000934460247 631854478 /nfs/dbraw/zinc/85/44/78/631854478.db2.gz OTBPGKJFWWTCEJ-SNVBAGLBSA-N 1 2 235.356 2.566 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000934460247 631854480 /nfs/dbraw/zinc/85/44/80/631854480.db2.gz OTBPGKJFWWTCEJ-SNVBAGLBSA-N 1 2 235.356 2.566 20 30 BFEDLO Cc1nc(C[NH2+]CC#Cc2ccccc2)cs1 ZINC000051814248 631936250 /nfs/dbraw/zinc/93/62/50/631936250.db2.gz YSYRDCOBPXRIHM-UHFFFAOYSA-N 1 2 242.347 2.593 20 30 BFEDLO Cc1ncccc1C[N@@H+](CCC#N)CC(C)C ZINC000310506331 632750245 /nfs/dbraw/zinc/75/02/45/632750245.db2.gz OJBKWFOHVNITQF-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO Cc1ncccc1C[N@H+](CCC#N)CC(C)C ZINC000310506331 632750250 /nfs/dbraw/zinc/75/02/50/632750250.db2.gz OJBKWFOHVNITQF-UHFFFAOYSA-N 1 2 231.343 2.762 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccnn1C1CCC1 ZINC000926874040 633757719 /nfs/dbraw/zinc/75/77/19/633757719.db2.gz MJYGCHJGBNSKJW-LLVKDONJSA-N 1 2 244.342 2.562 20 30 BFEDLO CCCCCO[NH+]=C(N)c1ccccc1 ZINC000179480720 633857515 /nfs/dbraw/zinc/85/75/15/633857515.db2.gz QYUAWVKUFHDVLG-UHFFFAOYSA-N 1 2 206.289 2.514 20 30 BFEDLO CC(C)CCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000129660924 636174861 /nfs/dbraw/zinc/17/48/61/636174861.db2.gz DCUPKXKLYMCSRV-RIYZIHGNSA-N 1 2 237.299 2.659 20 30 BFEDLO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000127007628 636189537 /nfs/dbraw/zinc/18/95/37/636189537.db2.gz DKUKYCNNIBXETO-LBPRGKRZSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000127007628 636189536 /nfs/dbraw/zinc/18/95/36/636189536.db2.gz DKUKYCNNIBXETO-LBPRGKRZSA-N 1 2 232.302 2.870 20 30 BFEDLO N#Cc1sccc1-c1c[nH+]c2n1CCCC2 ZINC000904894002 637524784 /nfs/dbraw/zinc/52/47/84/637524784.db2.gz GMLNVMWZXQAFLZ-UHFFFAOYSA-N 1 2 229.308 2.820 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590665 638214060 /nfs/dbraw/zinc/21/40/60/638214060.db2.gz SCHXQKLRTMUUPC-QLFBSQMISA-N 1 2 244.313 2.917 20 30 BFEDLO C[C@]1(C#N)CC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906590665 638214067 /nfs/dbraw/zinc/21/40/67/638214067.db2.gz SCHXQKLRTMUUPC-QLFBSQMISA-N 1 2 244.313 2.917 20 30 BFEDLO CC(C)C[N@@H+](C/C=C/Cl)CCC#N ZINC000043419655 638310601 /nfs/dbraw/zinc/31/06/01/638310601.db2.gz VODGZYFTHUTTCH-HWKANZROSA-N 1 2 200.713 2.611 20 30 BFEDLO CC(C)C[N@H+](C/C=C/Cl)CCC#N ZINC000043419655 638310609 /nfs/dbraw/zinc/31/06/09/638310609.db2.gz VODGZYFTHUTTCH-HWKANZROSA-N 1 2 200.713 2.611 20 30 BFEDLO C=CCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907853186 638487423 /nfs/dbraw/zinc/48/74/23/638487423.db2.gz RJVHQSIHQYXRSB-UHFFFAOYSA-N 1 2 232.327 2.703 20 30 BFEDLO C=CC(C)(C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908939185 639096458 /nfs/dbraw/zinc/09/64/58/639096458.db2.gz HEDBKKZQZJLJMZ-UHFFFAOYSA-N 1 2 246.354 2.949 20 30 BFEDLO CC[N@H+](CCCC(C)(F)F)[C@H](C)C#N ZINC000931057379 640031211 /nfs/dbraw/zinc/03/12/11/640031211.db2.gz WPTMQGLRULHLMB-SECBINFHSA-N 1 2 204.264 2.656 20 30 BFEDLO CC[N@@H+](CCCC(C)(F)F)[C@H](C)C#N ZINC000931057379 640031216 /nfs/dbraw/zinc/03/12/16/640031216.db2.gz WPTMQGLRULHLMB-SECBINFHSA-N 1 2 204.264 2.656 20 30 BFEDLO CC[N@H+](CC1CCC(C#N)CC1)[C@H](C)C#N ZINC000931057070 640044152 /nfs/dbraw/zinc/04/41/52/640044152.db2.gz UBCPAGGJNKMDGD-PNESKVBLSA-N 1 2 219.332 2.550 20 30 BFEDLO CC[N@@H+](CC1CCC(C#N)CC1)[C@H](C)C#N ZINC000931057070 640044154 /nfs/dbraw/zinc/04/41/54/640044154.db2.gz UBCPAGGJNKMDGD-PNESKVBLSA-N 1 2 219.332 2.550 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000932149304 640440967 /nfs/dbraw/zinc/44/09/67/640440967.db2.gz ZPXUDRXJDHNVRP-GFCCVEGCSA-N 1 2 232.302 2.604 20 30 BFEDLO N#C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000932149304 640440973 /nfs/dbraw/zinc/44/09/73/640440973.db2.gz ZPXUDRXJDHNVRP-GFCCVEGCSA-N 1 2 232.302 2.604 20 30 BFEDLO C=C(CC)C[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000439271249 640481957 /nfs/dbraw/zinc/48/19/57/640481957.db2.gz JAVGKIPNVCZDMT-LBPRGKRZSA-N 1 2 248.374 2.744 20 30 BFEDLO C=C(CC)C[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000439271249 640481962 /nfs/dbraw/zinc/48/19/62/640481962.db2.gz JAVGKIPNVCZDMT-LBPRGKRZSA-N 1 2 248.374 2.744 20 30 BFEDLO C#CC[N@H+](Cc1cc(C(C)(C)C)on1)C(C)C ZINC000932388874 640516525 /nfs/dbraw/zinc/51/65/25/640516525.db2.gz YWQFWOAKCMAKHL-UHFFFAOYSA-N 1 2 234.343 2.816 20 30 BFEDLO C#CC[N@@H+](Cc1cc(C(C)(C)C)on1)C(C)C ZINC000932388874 640516530 /nfs/dbraw/zinc/51/65/30/640516530.db2.gz YWQFWOAKCMAKHL-UHFFFAOYSA-N 1 2 234.343 2.816 20 30 BFEDLO CC[C@H]([NH2+]CCC#N)c1cc(F)ccc1OC ZINC000932476702 640542113 /nfs/dbraw/zinc/54/21/13/640542113.db2.gz JONTVIGJHDKUJQ-LBPRGKRZSA-N 1 2 236.290 2.789 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000165426551 640574280 /nfs/dbraw/zinc/57/42/80/640574280.db2.gz KCYNOHGDVIGRIH-CQSZACIVSA-N 1 2 239.322 2.602 20 30 BFEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000165426551 640574283 /nfs/dbraw/zinc/57/42/83/640574283.db2.gz KCYNOHGDVIGRIH-CQSZACIVSA-N 1 2 239.322 2.602 20 30 BFEDLO C#C[C@H](CC)[NH2+]Cc1cccc(Cl)c1O ZINC000229896770 640991367 /nfs/dbraw/zinc/99/13/67/640991367.db2.gz FPFNJCFLDRXOFR-SNVBAGLBSA-N 1 2 223.703 2.547 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(C2CC2)no1 ZINC000934471214 641164964 /nfs/dbraw/zinc/16/49/64/641164964.db2.gz SVLCXQOTVXDYSW-MWLCHTKSSA-N 1 2 233.315 2.658 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(C2CC2)no1 ZINC000934471214 641164966 /nfs/dbraw/zinc/16/49/66/641164966.db2.gz SVLCXQOTVXDYSW-MWLCHTKSSA-N 1 2 233.315 2.658 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cccnc1Cl ZINC000934511880 641177449 /nfs/dbraw/zinc/17/74/49/641177449.db2.gz WEEVJCAWKOWJAD-GFCCVEGCSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cccnc1Cl ZINC000934511880 641177452 /nfs/dbraw/zinc/17/74/52/641177452.db2.gz WEEVJCAWKOWJAD-GFCCVEGCSA-N 1 2 234.730 2.723 20 30 BFEDLO C=CC[N@H+](Cc1nc(C(C)C)no1)C(C)C ZINC000917070508 642002348 /nfs/dbraw/zinc/00/23/48/642002348.db2.gz CUMGCDUPDSMJOV-UHFFFAOYSA-N 1 2 223.320 2.589 20 30 BFEDLO C=CC[N@@H+](Cc1nc(C(C)C)no1)C(C)C ZINC000917070508 642002352 /nfs/dbraw/zinc/00/23/52/642002352.db2.gz CUMGCDUPDSMJOV-UHFFFAOYSA-N 1 2 223.320 2.589 20 30 BFEDLO C=CC[N@@H+](Cc1nc(CC(C)C)no1)C(C)C ZINC000917070465 642002565 /nfs/dbraw/zinc/00/25/65/642002565.db2.gz CDCZEAVALZNOIQ-UHFFFAOYSA-N 1 2 237.347 2.665 20 30 BFEDLO C=CC[N@H+](Cc1nc(CC(C)C)no1)C(C)C ZINC000917070465 642002569 /nfs/dbraw/zinc/00/25/69/642002569.db2.gz CDCZEAVALZNOIQ-UHFFFAOYSA-N 1 2 237.347 2.665 20 30 BFEDLO C[C@H](C/[NH+]=C/c1cccc(O)c1O)C1CC1 ZINC000920178450 642444841 /nfs/dbraw/zinc/44/48/41/642444841.db2.gz RBCVTCJJWRGXFR-MBBDXHFBSA-N 1 2 219.284 2.563 20 30 BFEDLO C[C@@H](C/[NH+]=C/c1cccc(O)c1O)C1CC1 ZINC000920178451 642446345 /nfs/dbraw/zinc/44/63/45/642446345.db2.gz RBCVTCJJWRGXFR-PFMRQGHBSA-N 1 2 219.284 2.563 20 30 BFEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccco1 ZINC000255311962 642492126 /nfs/dbraw/zinc/49/21/26/642492126.db2.gz SXWKFRHSMZOHEI-SREVYHEPSA-N 1 2 238.246 2.823 20 30 BFEDLO C=C(C)COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000175472496 642686219 /nfs/dbraw/zinc/68/62/19/642686219.db2.gz AEPHUMFNWFBSII-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C(C)COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000175472496 642686223 /nfs/dbraw/zinc/68/62/23/642686223.db2.gz AEPHUMFNWFBSII-CQSZACIVSA-N 1 2 247.338 2.799 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]\CC(C)(C)C)c1 ZINC000255011006 643235273 /nfs/dbraw/zinc/23/52/73/643235273.db2.gz XZVLYPOVBKGALK-ZSOIEALJSA-N 1 2 221.300 2.866 20 30 BFEDLO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cscn1 ZINC000922240281 643916230 /nfs/dbraw/zinc/91/62/30/643916230.db2.gz DTQXLFITHFNWLQ-QMMMGPOBSA-N 1 2 249.364 2.927 20 30 BFEDLO C[C@@H]1CC[C@@H](/[NH+]=C/c2ccccc2O)C1 ZINC000780149351 644725053 /nfs/dbraw/zinc/72/50/53/644725053.db2.gz MTXITTBLIBYVSG-NPOOOHJJSA-N 1 2 203.285 3.000 20 30 BFEDLO C[N@H+](Cc1ccsc1)[C@@H]1CCC[C@H]1C#N ZINC000250225563 644748279 /nfs/dbraw/zinc/74/82/79/644748279.db2.gz JRYHEMHLAGVZDJ-NWDGAFQWSA-N 1 2 220.341 2.872 20 30 BFEDLO C[N@@H+](Cc1ccsc1)[C@@H]1CCC[C@H]1C#N ZINC000250225563 644748283 /nfs/dbraw/zinc/74/82/83/644748283.db2.gz JRYHEMHLAGVZDJ-NWDGAFQWSA-N 1 2 220.341 2.872 20 30 BFEDLO C#CC1CC[NH+](Cc2nnc(C(C)C)s2)CC1 ZINC000830351979 645122185 /nfs/dbraw/zinc/12/21/85/645122185.db2.gz XWVBPFWLZUFIQT-UHFFFAOYSA-N 1 2 249.383 2.507 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cn(C)cn1 ZINC000926710583 645375941 /nfs/dbraw/zinc/37/59/41/645375941.db2.gz AWPUIHMIIXQKHO-LBPRGKRZSA-N 1 2 246.358 2.545 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000846981997 645411488 /nfs/dbraw/zinc/41/14/88/645411488.db2.gz OJCHDNLSNDBAAB-VIFPVBQESA-N 1 2 241.697 2.656 20 30 BFEDLO CC(C)(C#N)C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926874930 645468780 /nfs/dbraw/zinc/46/87/80/645468780.db2.gz VKFHCSIZMMEWOW-LLVKDONJSA-N 1 2 249.745 2.862 20 30 BFEDLO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(C#N)c1O ZINC000924949166 646137417 /nfs/dbraw/zinc/13/74/17/646137417.db2.gz KQAINWBUKRJRHO-ICCXJUOJSA-N 1 2 230.311 2.713 20 30 BFEDLO CC[C@H]([NH2+]C1CCC1)c1cccc(C#N)c1O ZINC000925378154 646257082 /nfs/dbraw/zinc/25/70/82/646257082.db2.gz VNSHIWNFABFAKT-ZDUSSCGKSA-N 1 2 230.311 2.857 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000925438297 646283661 /nfs/dbraw/zinc/28/36/61/646283661.db2.gz WOAQHAPKSJQTEW-JTQLQIEISA-N 1 2 239.750 2.623 20 30 BFEDLO C=C(Cl)CN[C@@H](C)c1cn2c([nH+]1)CCCC2 ZINC000925438297 646283666 /nfs/dbraw/zinc/28/36/66/646283666.db2.gz WOAQHAPKSJQTEW-JTQLQIEISA-N 1 2 239.750 2.623 20 30 BFEDLO CCc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)o1 ZINC000903106921 710891638 /nfs/dbraw/zinc/89/16/38/710891638.db2.gz YRFOZSDDERWIHE-JTQLQIEISA-N 1 2 218.300 2.796 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)cs1 ZINC000389752982 711089254 /nfs/dbraw/zinc/08/92/54/711089254.db2.gz ZNYFMGPARYGNAR-LLVKDONJSA-N 1 2 220.341 2.792 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)cs1 ZINC000389752982 711089257 /nfs/dbraw/zinc/08/92/57/711089257.db2.gz ZNYFMGPARYGNAR-LLVKDONJSA-N 1 2 220.341 2.792 20 30 BFEDLO C#CCO[NH+]=C(CC)c1ccc(Cl)c(N)c1 ZINC000394409495 711191091 /nfs/dbraw/zinc/19/10/91/711191091.db2.gz FNHODAODCIPESH-UHFFFAOYSA-N 1 2 236.702 2.686 20 30 BFEDLO CO[C@@H](C[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000385935247 711020495 /nfs/dbraw/zinc/02/04/95/711020495.db2.gz DZEGSDBYDPMQML-HIFRSBDPSA-N 1 2 244.338 2.610 20 30 BFEDLO CO[C@@H](C[N@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000385935247 711020497 /nfs/dbraw/zinc/02/04/97/711020497.db2.gz DZEGSDBYDPMQML-HIFRSBDPSA-N 1 2 244.338 2.610 20 30 BFEDLO C#C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)C(C)C ZINC000724387654 711577422 /nfs/dbraw/zinc/57/74/22/711577422.db2.gz KVEYLRHEKZHKRV-NSHDSACASA-N 1 2 234.343 2.720 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000826861845 712592691 /nfs/dbraw/zinc/59/26/91/712592691.db2.gz LLDVTGINSRFNTP-LLVKDONJSA-N 1 2 245.326 2.678 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000826861845 712592692 /nfs/dbraw/zinc/59/26/92/712592692.db2.gz LLDVTGINSRFNTP-LLVKDONJSA-N 1 2 245.326 2.678 20 30 BFEDLO C#C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000848923684 712610180 /nfs/dbraw/zinc/61/01/80/712610180.db2.gz IIQWXXSZQRVDJT-LLVKDONJSA-N 1 2 249.741 2.891 20 30 BFEDLO C#C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000848923684 712610181 /nfs/dbraw/zinc/61/01/81/712610181.db2.gz IIQWXXSZQRVDJT-LLVKDONJSA-N 1 2 249.741 2.891 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CCC[C@@H]1C#N ZINC000879307859 712632977 /nfs/dbraw/zinc/63/29/77/712632977.db2.gz FPUKKOVDAOZYCQ-NEPJUHHUSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)nc1)[C@H]1CCC[C@@H]1C#N ZINC000879307859 712632978 /nfs/dbraw/zinc/63/29/78/712632978.db2.gz FPUKKOVDAOZYCQ-NEPJUHHUSA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@]1(C[N@@H+]2CCC[C@@H](C#N)C2)CC1(Cl)Cl ZINC000932153669 712715818 /nfs/dbraw/zinc/71/58/18/712715818.db2.gz BBTJVYFTKNNGNX-VHSXEESVSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@]1(C[N@H+]2CCC[C@@H](C#N)C2)CC1(Cl)Cl ZINC000932153669 712715819 /nfs/dbraw/zinc/71/58/19/712715819.db2.gz BBTJVYFTKNNGNX-VHSXEESVSA-N 1 2 247.169 2.806 20 30 BFEDLO C#CCNc1[nH+]ccc2cc(Cl)ccc21 ZINC001155650689 963136743 /nfs/dbraw/zinc/13/67/43/963136743.db2.gz CGQIYQCPZUOCAG-UHFFFAOYSA-N 1 2 216.671 2.933 20 30 BFEDLO Cc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)s1 ZINC000896506064 963468168 /nfs/dbraw/zinc/46/81/68/963468168.db2.gz SFQBZZWTPHGVSY-LLVKDONJSA-N 1 2 220.341 2.792 20 30 BFEDLO Cc1ccc(C[N@H+]2CCC[C@H](C#N)C2)s1 ZINC000896506064 963468173 /nfs/dbraw/zinc/46/81/73/963468173.db2.gz SFQBZZWTPHGVSY-LLVKDONJSA-N 1 2 220.341 2.792 20 30 BFEDLO C#CCCCNc1cc2cc(C)[nH]c2c[nH+]1 ZINC001162440208 964979167 /nfs/dbraw/zinc/97/91/67/964979167.db2.gz SUSHNSMMRWZQJL-UHFFFAOYSA-N 1 2 213.284 2.697 20 30 BFEDLO CCCC[N@H+](CC#N)C[C@H]1CCOC(C)(C)C1 ZINC001207362820 968741650 /nfs/dbraw/zinc/74/16/50/968741650.db2.gz LECCZFJQPBZYLN-ZDUSSCGKSA-N 1 2 238.375 2.817 20 30 BFEDLO CCCC[N@@H+](CC#N)C[C@H]1CCOC(C)(C)C1 ZINC001207362820 968741657 /nfs/dbraw/zinc/74/16/57/968741657.db2.gz LECCZFJQPBZYLN-ZDUSSCGKSA-N 1 2 238.375 2.817 20 30 BFEDLO C[C@H](C#N)[N@H+](C)C1CCC2(CCOCC2)CC1 ZINC001173049611 975017301 /nfs/dbraw/zinc/01/73/01/975017301.db2.gz ZAIFKSUVEBSXDL-GFCCVEGCSA-N 1 2 236.359 2.570 20 30 BFEDLO C[C@H](C#N)[N@@H+](C)C1CCC2(CCOCC2)CC1 ZINC001173049611 975017305 /nfs/dbraw/zinc/01/73/05/975017305.db2.gz ZAIFKSUVEBSXDL-GFCCVEGCSA-N 1 2 236.359 2.570 20 30 BFEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173589421 975436837 /nfs/dbraw/zinc/43/68/37/975436837.db2.gz YPLZRVRLSBCCBS-BPCQOVAHSA-N 1 2 219.332 2.741 20 30 BFEDLO Cc1ccc(Cl)c(C[NH+]2CC(CC#N)C2)c1 ZINC001238560809 980287070 /nfs/dbraw/zinc/28/70/70/980287070.db2.gz QUQHLKIGAGJMTA-UHFFFAOYSA-N 1 2 234.730 2.994 20 30 BFEDLO CCCCC[N@H+](CCC#N)Cc1cccnc1 ZINC001201726035 983433929 /nfs/dbraw/zinc/43/39/29/983433929.db2.gz YAOYXBDFIGKZAJ-UHFFFAOYSA-N 1 2 231.343 2.987 20 30 BFEDLO CCCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC001201726035 983433933 /nfs/dbraw/zinc/43/39/33/983433933.db2.gz YAOYXBDFIGKZAJ-UHFFFAOYSA-N 1 2 231.343 2.987 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@@H](C)CCCC#N ZINC001172487098 974805247 /nfs/dbraw/zinc/80/52/47/974805247.db2.gz JPSMJIKTCQLOAM-NWDGAFQWSA-N 1 2 207.321 2.741 20 30 BFEDLO CCOC1CCC([N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001256444531 970844604 /nfs/dbraw/zinc/84/46/04/970844604.db2.gz SXPBZZGKLCGYBS-MOKVOYLWSA-N 1 2 236.359 2.712 20 30 BFEDLO CCOC1CCC([N@H+]2CCCC[C@H]2C#N)CC1 ZINC001256444531 970844606 /nfs/dbraw/zinc/84/46/06/970844606.db2.gz SXPBZZGKLCGYBS-MOKVOYLWSA-N 1 2 236.359 2.712 20 30 BFEDLO CCCC(CCC)[NH2+]C1(C#N)CCOCC1 ZINC001257331138 971238605 /nfs/dbraw/zinc/23/86/05/971238605.db2.gz ACVJOPJBMDQNQV-UHFFFAOYSA-N 1 2 224.348 2.618 20 30 BFEDLO C#C[C@@H](CCCCC)Oc1ccc[nH+]c1N ZINC001218212551 971631917 /nfs/dbraw/zinc/63/19/17/971631917.db2.gz PQROYMIFFJSMSN-NSHDSACASA-N 1 2 218.300 2.625 20 30 BFEDLO CC[C@](C)(C#N)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724219 971653301 /nfs/dbraw/zinc/65/33/01/971653301.db2.gz FZPAJKJZWYUCSO-LSCVPOLPSA-N 1 2 206.333 2.703 20 30 BFEDLO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCCC[C@@H]3C#N)C[C@@H]21 ZINC001170761974 971742603 /nfs/dbraw/zinc/74/26/03/971742603.db2.gz PTOAGFYOIKIISY-FVCCEPFGSA-N 1 2 218.344 2.799 20 30 BFEDLO CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@@H]3C#N)C[C@@H]21 ZINC001170761974 971742609 /nfs/dbraw/zinc/74/26/09/971742609.db2.gz PTOAGFYOIKIISY-FVCCEPFGSA-N 1 2 218.344 2.799 20 30 BFEDLO C=C[C@@H](C#CC(C)(C)C)Oc1ccc[nH+]c1N ZINC001218413637 971785372 /nfs/dbraw/zinc/78/53/72/971785372.db2.gz MMPLNJUMQAVKKH-NSHDSACASA-N 1 2 230.311 2.647 20 30 BFEDLO C=CCCCNc1cc(CC(=O)OCC)cc[nH+]1 ZINC001159264281 971792349 /nfs/dbraw/zinc/79/23/49/971792349.db2.gz UDBQTSIQNOZTJZ-UHFFFAOYSA-N 1 2 248.326 2.565 20 30 BFEDLO Cc1cc(-c2cccc(CC#N)c2F)c[nH+]c1N ZINC001245536217 971850731 /nfs/dbraw/zinc/85/07/31/971850731.db2.gz GHZDEXCDCSIQMH-UHFFFAOYSA-N 1 2 241.269 2.844 20 30 BFEDLO COc1ccc2cc(NCCCS)[nH+]cc2c1 ZINC001171000872 972225105 /nfs/dbraw/zinc/22/51/05/972225105.db2.gz KPDZQKJKKUOHKP-UHFFFAOYSA-N 1 2 248.351 2.975 20 30 BFEDLO COc1cccc2[nH+]c(NCCCS)ccc21 ZINC001171000658 972225582 /nfs/dbraw/zinc/22/55/82/972225582.db2.gz ASLLKLWODWDTTB-UHFFFAOYSA-N 1 2 248.351 2.975 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(Cl)ccc1N ZINC000086549367 957635769 /nfs/dbraw/zinc/63/57/69/957635769.db2.gz BYGPIVZBCGMFIF-UHFFFAOYSA-N 1 2 237.734 2.658 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)ccc1N ZINC000086549367 957635774 /nfs/dbraw/zinc/63/57/74/957635774.db2.gz BYGPIVZBCGMFIF-UHFFFAOYSA-N 1 2 237.734 2.658 20 30 BFEDLO Cc1cc(C)c(Nc2cccnc2C#N)c[nH+]1 ZINC001210142585 957649843 /nfs/dbraw/zinc/64/98/43/957649843.db2.gz ZMQRXFUXZPGDBU-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO Cc1ccc(C)c(NC2=CC(=O)C[C@@H](C)C2)[nH+]1 ZINC001210768599 957869385 /nfs/dbraw/zinc/86/93/85/957869385.db2.gz IOUMZTNATONGTM-VIFPVBQESA-N 1 2 230.311 2.993 20 30 BFEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)oc1C ZINC001204538700 958014242 /nfs/dbraw/zinc/01/42/42/958014242.db2.gz HTULMAYZMYLESQ-ZDUSSCGKSA-N 1 2 218.300 2.632 20 30 BFEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)oc1C ZINC001204538700 958014263 /nfs/dbraw/zinc/01/42/63/958014263.db2.gz HTULMAYZMYLESQ-ZDUSSCGKSA-N 1 2 218.300 2.632 20 30 BFEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccncc1 ZINC000588386361 958129523 /nfs/dbraw/zinc/12/95/23/958129523.db2.gz JNSFOVFPQROFJW-PLNGDYQASA-N 1 2 249.273 2.625 20 30 BFEDLO N#CC[C@@H](OCCn1cc[nH+]c1)c1ccccc1 ZINC001222134171 972383824 /nfs/dbraw/zinc/38/38/24/972383824.db2.gz ATTKTIICBJISHX-CQSZACIVSA-N 1 2 241.294 2.555 20 30 BFEDLO COc1cc[nH+]cc1NCc1ccccc1C#N ZINC001167635668 959161643 /nfs/dbraw/zinc/16/16/43/959161643.db2.gz PWOIUCLMBGRBGV-UHFFFAOYSA-N 1 2 239.278 2.574 20 30 BFEDLO Cc1cc(C)c(Nc2ccc(N)c(C#N)c2)c[nH+]1 ZINC001213429296 960136324 /nfs/dbraw/zinc/13/63/24/960136324.db2.gz DRPTVPSJSXLUCO-UHFFFAOYSA-N 1 2 238.294 2.896 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1c(C)nn(C)c1C ZINC001203058679 960507476 /nfs/dbraw/zinc/50/74/76/960507476.db2.gz SBQMPUNLMCOCCR-UHFFFAOYSA-N 1 2 248.374 2.553 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1c(C)nn(C)c1C ZINC001203058679 960507494 /nfs/dbraw/zinc/50/74/94/960507494.db2.gz SBQMPUNLMCOCCR-UHFFFAOYSA-N 1 2 248.374 2.553 20 30 BFEDLO C=C(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001141370535 961046272 /nfs/dbraw/zinc/04/62/72/961046272.db2.gz NTIRZBMETMQFIG-UHFFFAOYSA-N 1 2 241.294 2.777 20 30 BFEDLO C=C(C)CNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC001155661736 963149821 /nfs/dbraw/zinc/14/98/21/963149821.db2.gz GVIAVLAAOWHATN-GFCCVEGCSA-N 1 2 246.358 2.701 20 30 BFEDLO C=C(C)CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC001155661736 963149830 /nfs/dbraw/zinc/14/98/30/963149830.db2.gz GVIAVLAAOWHATN-GFCCVEGCSA-N 1 2 246.358 2.701 20 30 BFEDLO Cc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)s1 ZINC000896506065 963469037 /nfs/dbraw/zinc/46/90/37/963469037.db2.gz SFQBZZWTPHGVSY-NSHDSACASA-N 1 2 220.341 2.792 20 30 BFEDLO Cc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)s1 ZINC000896506065 963469044 /nfs/dbraw/zinc/46/90/44/963469044.db2.gz SFQBZZWTPHGVSY-NSHDSACASA-N 1 2 220.341 2.792 20 30 BFEDLO CSc1nc(C[NH+]2CC(C)(C)C2)ccc1C#N ZINC001141929424 963482422 /nfs/dbraw/zinc/48/24/22/963482422.db2.gz VDJGGMATDVEYKV-UHFFFAOYSA-N 1 2 247.367 2.517 20 30 BFEDLO C#C[C@](C)(CC)Nc1cc(N(CC)CC)nc[nH+]1 ZINC001158742170 963913404 /nfs/dbraw/zinc/91/34/04/963913404.db2.gz CBNPYFGCGBNTNU-CQSZACIVSA-N 1 2 246.358 2.537 20 30 BFEDLO C#C[C@](C)(CC)Nc1cc(N(CC)CC)[nH+]cn1 ZINC001158742170 963913411 /nfs/dbraw/zinc/91/34/11/963913411.db2.gz CBNPYFGCGBNTNU-CQSZACIVSA-N 1 2 246.358 2.537 20 30 BFEDLO Cc1c(F)cc[nH+]c1NCC#Cc1ccccc1 ZINC001159373248 964067668 /nfs/dbraw/zinc/06/76/68/964067668.db2.gz NOTRMNIESLORDJ-UHFFFAOYSA-N 1 2 240.281 2.993 20 30 BFEDLO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(F)F ZINC000697660267 964436107 /nfs/dbraw/zinc/43/61/07/964436107.db2.gz AOJYJPCMDIDFBT-MRVPVSSYSA-N 1 2 204.264 2.560 20 30 BFEDLO N#Cc1ccncc1Nc1cccc2[nH+]c[nH]c21 ZINC001213027945 964457308 /nfs/dbraw/zinc/45/73/08/964457308.db2.gz AQNHAGADGFKHOL-UHFFFAOYSA-N 1 2 235.250 2.573 20 30 BFEDLO CC(C)CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001161647127 964659477 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Cc1ccnc(-c2ccn3cc[nH+]c3c2)c1C#N ZINC001240496079 981416100 /nfs/dbraw/zinc/41/61/00/981416100.db2.gz GKDIBEQBKNLGDT-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1c(C#N)ccnc1-c1ccn2cc[nH+]c2c1 ZINC001240496285 981417241 /nfs/dbraw/zinc/41/72/41/981417241.db2.gz KPARMPXIMIISDQ-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1cc(-c2cc[nH+]c(N)c2)cc(F)c1C#N ZINC001241170005 982313542 /nfs/dbraw/zinc/31/35/42/982313542.db2.gz UEJACTSZYKTGHI-UHFFFAOYSA-N 1 2 227.242 2.650 20 30 BFEDLO N#Cc1cc2cc(-c3cc[nH+]c(N)c3)ccc2[nH]1 ZINC001241170473 982315836 /nfs/dbraw/zinc/31/58/36/982315836.db2.gz JZNKVUNYACAMPT-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO N#Cc1nccc2cc(-c3cc[nH+]c(N)c3)ccc21 ZINC001241170464 982317774 /nfs/dbraw/zinc/31/77/74/982317774.db2.gz PFBJLYSVXYAVGC-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO COc1cc(C#N)ccc1-c1ccc2[nH+]ccn2c1 ZINC001241402016 982551825 /nfs/dbraw/zinc/55/18/25/982551825.db2.gz GHYWJIIZXFAUEZ-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO Cc1cc(-c2ccc(C#N)nc2)c2[nH+]ccn2c1 ZINC001241428307 982581904 /nfs/dbraw/zinc/58/19/04/982581904.db2.gz IBDBDEDAWZYUHM-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1cn2c(cccc2-c2ccc(C#N)nc2)[nH+]1 ZINC001241428499 982582862 /nfs/dbraw/zinc/58/28/62/982582862.db2.gz QQYPILIHEFXEKZ-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)c(F)c1F ZINC001201292167 983169080 /nfs/dbraw/zinc/16/90/80/983169080.db2.gz KTLQSQHLYZVPCP-UHFFFAOYSA-N 1 2 246.220 2.557 20 30 BFEDLO C#Cc1ccc(Nc2ccc(N)[nH+]c2)cc1F ZINC001201295888 983181080 /nfs/dbraw/zinc/18/10/80/983181080.db2.gz WFWVSJWXLPDLLN-UHFFFAOYSA-N 1 2 227.242 2.528 20 30 BFEDLO CC(C)[NH2+]c1ccc(-n2ccc(C#N)c2N)cc1 ZINC001201488868 983259398 /nfs/dbraw/zinc/25/93/98/983259398.db2.gz KOFCMZCJLREDBP-UHFFFAOYSA-N 1 2 240.310 2.751 20 30 BFEDLO Cc1cc2[nH]ccc2c(-c2cccnc2C#N)[nH+]1 ZINC001242309392 983534765 /nfs/dbraw/zinc/53/47/65/983534765.db2.gz WRQDXPGAZSBDLO-UHFFFAOYSA-N 1 2 234.262 2.805 20 30 BFEDLO Cc1cc2[nH+]ccn2cc1-c1cccnc1C#N ZINC001242310703 983540779 /nfs/dbraw/zinc/54/07/79/983540779.db2.gz XKQYUOGGYBACPH-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1c(-c2cccnc2C#N)ccc2[nH+]ccn21 ZINC001242313247 983546042 /nfs/dbraw/zinc/54/60/42/983546042.db2.gz YBFHKPNQTRSTAZ-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO C/C(=C\C=C\[NH3+])C1=CC(=O)CC(C)(C)C1 ZINC001242315374 983548452 /nfs/dbraw/zinc/54/84/52/983548452.db2.gz BYHAGKIJNMYKTL-GQYICFGZSA-N 1 2 205.301 2.721 20 30 BFEDLO Cc1cc(-c2cccc3[nH+]ccn32)cnc1C#N ZINC001242356911 983640954 /nfs/dbraw/zinc/64/09/54/983640954.db2.gz WMZYIFIJGATRRC-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Nc1[nH+]cccc1-c1ccccc1CS ZINC001243474216 985021131 /nfs/dbraw/zinc/02/11/31/985021131.db2.gz ULVSMKWZVFLADC-UHFFFAOYSA-N 1 2 216.309 2.761 20 30 BFEDLO N#CCc1c[nH]c2cccc(-c3ccc[nH+]c3N)c12 ZINC001243473998 985021508 /nfs/dbraw/zinc/02/15/08/985021508.db2.gz QXXGDGPHORIIDY-UHFFFAOYSA-N 1 2 248.289 2.878 20 30 BFEDLO N#CCOc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001243590191 985147663 /nfs/dbraw/zinc/14/76/63/985147663.db2.gz QUSLLIDFIPATCP-UHFFFAOYSA-N 1 2 249.273 2.904 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@H](C)CCSC ZINC001258213323 985647059 /nfs/dbraw/zinc/64/70/59/985647059.db2.gz ZOEHKTPWPDZJGJ-SNVBAGLBSA-N 1 2 214.378 2.800 20 30 BFEDLO Cc1ncsc1CCC[N@@H+]1CCC[C@H](C#N)C1 ZINC001460752356 985891705 /nfs/dbraw/zinc/89/17/05/985891705.db2.gz ZHMSRSIBYPHSCP-GFCCVEGCSA-N 1 2 249.383 2.620 20 30 BFEDLO Cc1ncsc1CCC[N@H+]1CCC[C@H](C#N)C1 ZINC001460752356 985891708 /nfs/dbraw/zinc/89/17/08/985891708.db2.gz ZHMSRSIBYPHSCP-GFCCVEGCSA-N 1 2 249.383 2.620 20 30 BFEDLO C[C@H](CC1CC1)[N@H+](CCC#N)Cc1cccnc1 ZINC001258465645 985915764 /nfs/dbraw/zinc/91/57/64/985915764.db2.gz PLIFKHBROMMJMS-CYBMUJFWSA-N 1 2 243.354 2.986 20 30 BFEDLO C[C@H](CC1CC1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001258465645 985915779 /nfs/dbraw/zinc/91/57/79/985915779.db2.gz PLIFKHBROMMJMS-CYBMUJFWSA-N 1 2 243.354 2.986 20 30 BFEDLO C[C@H]1CCC(F)(F)C[N@@H+]1CCCCC#N ZINC001460934908 985952781 /nfs/dbraw/zinc/95/27/81/985952781.db2.gz KVRGFPLNIILVLR-JTQLQIEISA-N 1 2 216.275 2.800 20 30 BFEDLO C[C@H]1CCC(F)(F)C[N@H+]1CCCCC#N ZINC001460934908 985952801 /nfs/dbraw/zinc/95/28/01/985952801.db2.gz KVRGFPLNIILVLR-JTQLQIEISA-N 1 2 216.275 2.800 20 30 BFEDLO Cc1cn2cc(-c3ccncc3C#N)ccc2[nH+]1 ZINC001244333694 985966999 /nfs/dbraw/zinc/96/69/99/985966999.db2.gz MMPQZABZAVWXMO-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1cc(-c2ccncc2C#N)c2[nH+]ccn2c1 ZINC001244333897 985968608 /nfs/dbraw/zinc/96/86/08/985968608.db2.gz PZVBOYQSTNPKIU-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO COc1ccc(-c2ccc(C)c(N)[nH+]2)cc1C#N ZINC001244707822 986318484 /nfs/dbraw/zinc/31/84/84/986318484.db2.gz WJXXBSKMZLPROO-UHFFFAOYSA-N 1 2 239.278 2.520 20 30 BFEDLO CNc1cc(-c2cccc(F)c2CC#N)cc[nH+]1 ZINC001244978290 986565703 /nfs/dbraw/zinc/56/57/03/986565703.db2.gz PUOHRAYXMVVUDO-UHFFFAOYSA-N 1 2 241.269 2.995 20 30 BFEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCCCC(F)(F)C2)C1 ZINC001254660893 986711432 /nfs/dbraw/zinc/71/14/32/986711432.db2.gz MZHMOKBVZBBOHW-QWRGUYRKSA-N 1 2 228.286 2.800 20 30 BFEDLO N#C[C@H]1CC[C@H]([N@H+]2CCCCC(F)(F)C2)C1 ZINC001254660893 986711442 /nfs/dbraw/zinc/71/14/42/986711442.db2.gz MZHMOKBVZBBOHW-QWRGUYRKSA-N 1 2 228.286 2.800 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@H](c1cccnc1F)C1CC1 ZINC001255162704 986836697 /nfs/dbraw/zinc/83/66/97/986836697.db2.gz XJLFBEGKRPNYRN-YPMHNXCESA-N 1 2 247.317 2.954 20 30 BFEDLO C=CC[NH+](CC=C)Cc1c(N)cccc1F ZINC000384626532 986847303 /nfs/dbraw/zinc/84/73/03/986847303.db2.gz UPVNOUDZFRMHJT-UHFFFAOYSA-N 1 2 220.291 2.582 20 30 BFEDLO CC[C@@H](CC#N)[N@H+](CC)Cc1cccnc1 ZINC001255173275 986864356 /nfs/dbraw/zinc/86/43/56/986864356.db2.gz KDJSBBWECVYMOW-ZDUSSCGKSA-N 1 2 217.316 2.596 20 30 BFEDLO CC[C@@H](CC#N)[N@@H+](CC)Cc1cccnc1 ZINC001255173275 986864358 /nfs/dbraw/zinc/86/43/58/986864358.db2.gz KDJSBBWECVYMOW-ZDUSSCGKSA-N 1 2 217.316 2.596 20 30 BFEDLO N#Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1 ZINC001245499213 986876957 /nfs/dbraw/zinc/87/69/57/986876957.db2.gz QSBFSYFFXRPOPN-UHFFFAOYSA-N 1 2 235.290 2.621 20 30 BFEDLO Cc1cc(-c2cc(/C=N/O)ccc2F)c[nH+]c1N ZINC001245539539 986927374 /nfs/dbraw/zinc/92/73/74/986927374.db2.gz MNHWQWFVZRRYJI-UBKPWBPPSA-N 1 2 245.257 2.586 20 30 BFEDLO Cc1ccc(C#N)c(-c2[nH+]ccc3c2CCN3)c1 ZINC001245602017 986982447 /nfs/dbraw/zinc/98/24/47/986982447.db2.gz GIVLRMDOXABTMI-UHFFFAOYSA-N 1 2 235.290 2.897 20 30 BFEDLO Cc1ccc(C#N)c(-c2cc(N(C)C)cc[nH+]2)c1 ZINC001245602796 986987204 /nfs/dbraw/zinc/98/72/04/986987204.db2.gz WJPQVFMYGRRXEI-UHFFFAOYSA-N 1 2 237.306 2.995 20 30 BFEDLO C=C(CC)CNc1cc(CC)[nH+]c(CC)n1 ZINC001472805240 987285311 /nfs/dbraw/zinc/28/53/11/987285311.db2.gz CBXFNNZCHIRCMR-UHFFFAOYSA-N 1 2 219.332 2.980 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1ccccc1OCC1CC1 ZINC001474251260 987667147 /nfs/dbraw/zinc/66/71/47/987667147.db2.gz UFOQBWXKEVBSHL-LBPRGKRZSA-N 1 2 244.338 2.867 20 30 BFEDLO CCCCC(CCCC)N1CC[NH2+]C[C@H]1C#N ZINC001246590908 988170375 /nfs/dbraw/zinc/17/03/75/988170375.db2.gz DQGMVNUYDMRDRP-CQSZACIVSA-N 1 2 237.391 2.533 20 30 BFEDLO CCCCCCCc1nnc(C[NH+](C)C)o1 ZINC001322983025 988423452 /nfs/dbraw/zinc/42/34/52/988423452.db2.gz CQQRASPOOYNKNX-UHFFFAOYSA-N 1 2 225.336 2.644 20 30 BFEDLO CC(C)C(C#N)=CNNc1cccc(Cl)[nH+]1 ZINC001324142436 988719776 /nfs/dbraw/zinc/71/97/76/988719776.db2.gz FIRWKYBYYRNRKW-SECBINFHSA-N 1 2 236.706 2.928 20 30 BFEDLO N#Cc1ccnc(/C=C\c2cccc3[nH+]ccn32)c1 ZINC001325103480 989086262 /nfs/dbraw/zinc/08/62/62/989086262.db2.gz BLSTVIZLTPISHL-PLNGDYQASA-N 1 2 246.273 2.771 20 30 BFEDLO C#CCCCCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001518367074 989297555 /nfs/dbraw/zinc/29/75/55/989297555.db2.gz VBULHUCAQCWMKZ-UHFFFAOYSA-N 1 2 244.338 2.643 20 30 BFEDLO Cc1cc(C)nc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC001119810048 989412650 /nfs/dbraw/zinc/41/26/50/989412650.db2.gz IZDGEEONOOFPJM-HNNXBMFYSA-N 1 2 243.354 2.824 20 30 BFEDLO Cc1cc(C)nc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC001119810048 989412659 /nfs/dbraw/zinc/41/26/59/989412659.db2.gz IZDGEEONOOFPJM-HNNXBMFYSA-N 1 2 243.354 2.824 20 30 BFEDLO Cc1ccc(OC(F)F)c(C[NH2+]CCC#N)c1 ZINC001308547409 991031239 /nfs/dbraw/zinc/03/12/39/991031239.db2.gz ZLCTVYRLHILEMD-UHFFFAOYSA-N 1 2 240.253 2.600 20 30 BFEDLO C[C@@H]1CC([NH2+]C2(C#N)CCC2)C[C@@H](C)C1 ZINC001258152735 991036892 /nfs/dbraw/zinc/03/68/92/991036892.db2.gz VCGFCMAEVKSFJP-QWRGUYRKSA-N 1 2 206.333 2.847 20 30 BFEDLO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc(C)n1 ZINC001308609156 991057492 /nfs/dbraw/zinc/05/74/92/991057492.db2.gz OHZXITWCUUCDEV-LLVKDONJSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc(C)n1 ZINC001308609156 991057501 /nfs/dbraw/zinc/05/75/01/991057501.db2.gz OHZXITWCUUCDEV-LLVKDONJSA-N 1 2 243.354 2.823 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2scnc2c1 ZINC001308624810 991065661 /nfs/dbraw/zinc/06/56/61/991065661.db2.gz CLMMSNJHEABMKS-JTQLQIEISA-N 1 2 245.351 2.888 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2scnc2c1 ZINC001308624810 991065669 /nfs/dbraw/zinc/06/56/69/991065669.db2.gz CLMMSNJHEABMKS-JTQLQIEISA-N 1 2 245.351 2.888 20 30 BFEDLO CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001138985728 991121013 /nfs/dbraw/zinc/12/10/13/991121013.db2.gz DPQUZPUMVFUKDK-CQSZACIVSA-N 1 2 244.338 2.819 20 30 BFEDLO CC(C)Oc1cccc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001138985728 991121021 /nfs/dbraw/zinc/12/10/21/991121021.db2.gz DPQUZPUMVFUKDK-CQSZACIVSA-N 1 2 244.338 2.819 20 30 BFEDLO Cn1ccc2cc(C[N@H+](C)CCC#N)ccc21 ZINC001139186442 991177075 /nfs/dbraw/zinc/17/70/75/991177075.db2.gz QUGAWLJMXPUCRW-UHFFFAOYSA-N 1 2 227.311 2.524 20 30 BFEDLO Cn1ccc2cc(C[N@@H+](C)CCC#N)ccc21 ZINC001139186442 991177081 /nfs/dbraw/zinc/17/70/81/991177081.db2.gz QUGAWLJMXPUCRW-UHFFFAOYSA-N 1 2 227.311 2.524 20 30 BFEDLO CSC(C)(C)C[C@H](C)[N@@H+]1CCC[C@H]1C#N ZINC001258331242 991256837 /nfs/dbraw/zinc/25/68/37/991256837.db2.gz LQBAUTZAIPTUME-QWRGUYRKSA-N 1 2 226.389 2.895 20 30 BFEDLO CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@H]1C#N ZINC001258331242 991256843 /nfs/dbraw/zinc/25/68/43/991256843.db2.gz LQBAUTZAIPTUME-QWRGUYRKSA-N 1 2 226.389 2.895 20 30 BFEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)ccn2)CC1 ZINC001139566325 991271643 /nfs/dbraw/zinc/27/16/43/991271643.db2.gz XMWAFGZBWFTGDU-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC001139563815 991275575 /nfs/dbraw/zinc/27/55/75/991275575.db2.gz UWKNXBFMWZBRKM-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccn2)C1 ZINC001139563815 991275585 /nfs/dbraw/zinc/27/55/85/991275585.db2.gz UWKNXBFMWZBRKM-LLVKDONJSA-N 1 2 249.745 2.861 20 30 BFEDLO C=CC[N@@H+](C)Cc1cnc(Br)s1 ZINC001139914657 991416213 /nfs/dbraw/zinc/41/62/13/991416213.db2.gz PHQLGKALMZZGKX-UHFFFAOYSA-N 1 2 247.161 2.523 20 30 BFEDLO C=CC[N@H+](C)Cc1cnc(Br)s1 ZINC001139914657 991416217 /nfs/dbraw/zinc/41/62/17/991416217.db2.gz PHQLGKALMZZGKX-UHFFFAOYSA-N 1 2 247.161 2.523 20 30 BFEDLO C=CCC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258729960 991671017 /nfs/dbraw/zinc/67/10/17/991671017.db2.gz ZPWWZFQEWOGBFN-JQWIXIFHSA-N 1 2 237.368 2.615 20 30 BFEDLO C=CCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258729960 991671022 /nfs/dbraw/zinc/67/10/22/991671022.db2.gz ZPWWZFQEWOGBFN-JQWIXIFHSA-N 1 2 237.368 2.615 20 30 BFEDLO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258729960 991671023 /nfs/dbraw/zinc/67/10/23/991671023.db2.gz ZPWWZFQEWOGBFN-JQWIXIFHSA-N 1 2 237.368 2.615 20 30 BFEDLO C=CCC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258729960 991671026 /nfs/dbraw/zinc/67/10/26/991671026.db2.gz ZPWWZFQEWOGBFN-JQWIXIFHSA-N 1 2 237.368 2.615 20 30 BFEDLO C=C(Cl)COC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001319041258 991768394 /nfs/dbraw/zinc/76/83/94/991768394.db2.gz KFTPVGYHEIOFQT-LLVKDONJSA-N 1 2 245.750 2.547 20 30 BFEDLO C=C(Cl)COC(=O)[C@H]1CCCC[N@@H+]1CCC ZINC001319041258 991768404 /nfs/dbraw/zinc/76/84/04/991768404.db2.gz KFTPVGYHEIOFQT-LLVKDONJSA-N 1 2 245.750 2.547 20 30 BFEDLO CC[C@H](Cc1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC001258843873 991876634 /nfs/dbraw/zinc/87/66/34/991876634.db2.gz HLMREVFECNRWLJ-CQSZACIVSA-N 1 2 228.339 2.853 20 30 BFEDLO C#CC[N@@H+](Cc1nc(C(C)(C)C)co1)CC1CC1 ZINC001262357580 992856230 /nfs/dbraw/zinc/85/62/30/992856230.db2.gz OWRPLWRIBWDHSO-UHFFFAOYSA-N 1 2 246.354 2.817 20 30 BFEDLO C#CC[N@H+](Cc1nc(C(C)(C)C)co1)CC1CC1 ZINC001262357580 992856233 /nfs/dbraw/zinc/85/62/33/992856233.db2.gz OWRPLWRIBWDHSO-UHFFFAOYSA-N 1 2 246.354 2.817 20 30 BFEDLO N#Cc1ccccc1SCc1ccc[nH+]c1N ZINC001307303002 995316245 /nfs/dbraw/zinc/31/62/45/995316245.db2.gz LDQGJPGLUDLSTK-UHFFFAOYSA-N 1 2 241.319 2.828 20 30 BFEDLO C=C(Cl)C[N@H+](Cc1cccnc1)C1CC1 ZINC000272546729 398146691 /nfs/dbraw/zinc/14/66/91/398146691.db2.gz LOVGKKWFWGJROZ-UHFFFAOYSA-N 1 2 222.719 2.799 20 30 BFEDLO C=C(Cl)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000272546729 398146695 /nfs/dbraw/zinc/14/66/95/398146695.db2.gz LOVGKKWFWGJROZ-UHFFFAOYSA-N 1 2 222.719 2.799 20 30 BFEDLO Cc1cccn2cc(CSCCC#N)[nH+]c12 ZINC000413012807 398210936 /nfs/dbraw/zinc/21/09/36/398210936.db2.gz NANWVRAPDCMFPN-UHFFFAOYSA-N 1 2 231.324 2.790 20 30 BFEDLO Cc1cc(N[C@H](C)c2ccc(C#N)cc2)nc[nH+]1 ZINC000040727287 178187943 /nfs/dbraw/zinc/18/79/43/178187943.db2.gz RLQBBNVURBVFSA-LLVKDONJSA-N 1 2 238.294 2.830 20 30 BFEDLO CC[C@H]1C[NH+](Cc2ccc(C#N)o2)C[C@H](CC)O1 ZINC000421382689 192325735 /nfs/dbraw/zinc/32/57/35/192325735.db2.gz CAADJKWMDJMDOD-RYUDHWBXSA-N 1 2 248.326 2.541 20 30 BFEDLO CC(C)CC[N@H+](CCC#N)Cc1ccns1 ZINC000602466074 349538807 /nfs/dbraw/zinc/53/88/07/349538807.db2.gz WDIVYDCQMOVBFI-UHFFFAOYSA-N 1 2 237.372 2.905 20 30 BFEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccns1 ZINC000602466074 349538810 /nfs/dbraw/zinc/53/88/10/349538810.db2.gz WDIVYDCQMOVBFI-UHFFFAOYSA-N 1 2 237.372 2.905 20 30 BFEDLO C=CC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185247367 136230035 /nfs/dbraw/zinc/23/00/35/136230035.db2.gz NDVBLZVQPKTGAW-SNVBAGLBSA-N 1 2 235.331 2.954 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cnc(C)nc1C ZINC000602447747 349548491 /nfs/dbraw/zinc/54/84/91/349548491.db2.gz PADFMFNSMXPMTN-ZYHUDNBSSA-N 1 2 246.358 2.636 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1cnc(C)nc1C ZINC000602447747 349548495 /nfs/dbraw/zinc/54/84/95/349548495.db2.gz PADFMFNSMXPMTN-ZYHUDNBSSA-N 1 2 246.358 2.636 20 30 BFEDLO C=CCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000173465582 538948551 /nfs/dbraw/zinc/94/85/51/538948551.db2.gz RUTDXCYFYQQYRD-UHFFFAOYSA-N 1 2 214.268 2.827 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)c(F)c1 ZINC000602460785 349555760 /nfs/dbraw/zinc/55/57/60/349555760.db2.gz CHGIAIURRRILBS-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)c(F)c1 ZINC000602460785 349555763 /nfs/dbraw/zinc/55/57/63/349555763.db2.gz CHGIAIURRRILBS-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000602462450 349556458 /nfs/dbraw/zinc/55/64/58/349556458.db2.gz MVXLSNBYGYGZCR-VIFPVBQESA-N 1 2 239.269 2.753 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000602462450 349556461 /nfs/dbraw/zinc/55/64/61/349556461.db2.gz MVXLSNBYGYGZCR-VIFPVBQESA-N 1 2 239.269 2.753 20 30 BFEDLO N#C[C@@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000335088352 136233011 /nfs/dbraw/zinc/23/30/11/136233011.db2.gz XRTRFEPEPITHSM-YPMHNXCESA-N 1 2 237.306 2.761 20 30 BFEDLO N#C[C@]1(F)CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000615651521 398271925 /nfs/dbraw/zinc/27/19/25/398271925.db2.gz SYEMZOJCMQTRAM-RRFJBIMHSA-N 1 2 244.313 2.728 20 30 BFEDLO N#C[C@]1(F)CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000615651521 398271927 /nfs/dbraw/zinc/27/19/27/398271927.db2.gz SYEMZOJCMQTRAM-RRFJBIMHSA-N 1 2 244.313 2.728 20 30 BFEDLO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615651856 398271940 /nfs/dbraw/zinc/27/19/40/398271940.db2.gz NOQRODWZOQBQDJ-UKRRQHHQSA-N 1 2 246.329 2.803 20 30 BFEDLO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615651856 398271942 /nfs/dbraw/zinc/27/19/42/398271942.db2.gz NOQRODWZOQBQDJ-UKRRQHHQSA-N 1 2 246.329 2.803 20 30 BFEDLO Cc1ncc(C[N@@H+](CCC#N)CCC(C)C)o1 ZINC000600118054 342674315 /nfs/dbraw/zinc/67/43/15/342674315.db2.gz PZDMAKCUWDTODX-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO Cc1ncc(C[N@H+](CCC#N)CCC(C)C)o1 ZINC000600118054 342674317 /nfs/dbraw/zinc/67/43/17/342674317.db2.gz PZDMAKCUWDTODX-UHFFFAOYSA-N 1 2 235.331 2.745 20 30 BFEDLO COc1ccc[nH+]c1NC1CCC(C#N)CC1 ZINC000602580741 349608496 /nfs/dbraw/zinc/60/84/96/349608496.db2.gz ZSAMVDWHKNUZFO-UHFFFAOYSA-N 1 2 231.299 2.584 20 30 BFEDLO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC#N)C1 ZINC000285550214 342719838 /nfs/dbraw/zinc/71/98/38/342719838.db2.gz GKJNBQXZABYKOV-YPMHNXCESA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC#N)C1 ZINC000285550214 342719839 /nfs/dbraw/zinc/71/98/39/342719839.db2.gz GKJNBQXZABYKOV-YPMHNXCESA-N 1 2 200.285 2.593 20 30 BFEDLO C=C1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000527532629 262853970 /nfs/dbraw/zinc/85/39/70/262853970.db2.gz JXIOGXNGXFAFGL-UHFFFAOYSA-N 1 2 222.719 2.887 20 30 BFEDLO CCc1ccccc1C[NH+]1CC(C)(C#N)C1 ZINC000581850643 342829870 /nfs/dbraw/zinc/82/98/70/342829870.db2.gz ACWDSWWDIWBCBR-UHFFFAOYSA-N 1 2 214.312 2.594 20 30 BFEDLO Cc1c[nH+]c(C)c(NCc2nc(C#N)cs2)c1 ZINC000404608713 398293263 /nfs/dbraw/zinc/29/32/63/398293263.db2.gz QRDITSSPHLOHFB-UHFFFAOYSA-N 1 2 244.323 2.639 20 30 BFEDLO C=CC[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000390291238 539020937 /nfs/dbraw/zinc/02/09/37/539020937.db2.gz YVUXUUICVJWSLY-JTQLQIEISA-N 1 2 219.332 2.573 20 30 BFEDLO C=CCCCCNc1[nH+]cccc1OC ZINC000309062981 342884915 /nfs/dbraw/zinc/88/49/15/342884915.db2.gz XEKAMKMBPVGDRE-UHFFFAOYSA-N 1 2 206.289 2.858 20 30 BFEDLO Cc1ccc(C[NH2+]CC2(C#N)CC2)c(F)c1 ZINC000602643612 349656023 /nfs/dbraw/zinc/65/60/23/349656023.db2.gz RHVXQEKBDDPMFE-UHFFFAOYSA-N 1 2 218.275 2.528 20 30 BFEDLO Cc1ncc([C@H](C)[N@H+](C)CC(C)(C)C#N)c(C)n1 ZINC000602676017 349669070 /nfs/dbraw/zinc/66/90/70/349669070.db2.gz OUGIZCXILATYMK-NSHDSACASA-N 1 2 246.358 2.636 20 30 BFEDLO Cc1ncc([C@H](C)[N@@H+](C)CC(C)(C)C#N)c(C)n1 ZINC000602676017 349669072 /nfs/dbraw/zinc/66/90/72/349669072.db2.gz OUGIZCXILATYMK-NSHDSACASA-N 1 2 246.358 2.636 20 30 BFEDLO N#CCC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000130467149 398340574 /nfs/dbraw/zinc/34/05/74/398340574.db2.gz QFGHSUPILBZCGE-CQSZACIVSA-N 1 2 240.310 2.544 20 30 BFEDLO C[C@H](CCC#N)C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000602663195 349683213 /nfs/dbraw/zinc/68/32/13/349683213.db2.gz KJROXBRPZWZMED-PSASIEDQSA-N 1 2 234.265 2.857 20 30 BFEDLO CCn1c[nH+]cc1CNc1cccc(CC#N)c1 ZINC000313409706 259334883 /nfs/dbraw/zinc/33/48/83/259334883.db2.gz LTWSCZLFVKOARD-UHFFFAOYSA-N 1 2 240.310 2.581 20 30 BFEDLO COCc1cc[nH+]c(NC2CCC(C#N)CC2)c1 ZINC000602704815 349699232 /nfs/dbraw/zinc/69/92/32/349699232.db2.gz JZMJGDTWLMWKJZ-UHFFFAOYSA-N 1 2 245.326 2.722 20 30 BFEDLO CCn1cc[nH+]c1CNc1cccc(CC#N)c1 ZINC000313405349 259334481 /nfs/dbraw/zinc/33/44/81/259334481.db2.gz BLNVASJQCFUYHW-UHFFFAOYSA-N 1 2 240.310 2.581 20 30 BFEDLO CCc1cc[nH+]cc1NC[C@@H](C)CCC#N ZINC000602714286 349705521 /nfs/dbraw/zinc/70/55/21/349705521.db2.gz YMGZPOYWGWTMIH-NSHDSACASA-N 1 2 217.316 2.996 20 30 BFEDLO CCc1cccc(F)c1C[N@H+](C)C[C@@H](C)C#N ZINC000353456815 136265344 /nfs/dbraw/zinc/26/53/44/136265344.db2.gz DXGPBYCUGGUSAP-NSHDSACASA-N 1 2 234.318 2.980 20 30 BFEDLO CCc1cccc(F)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000353456815 136265345 /nfs/dbraw/zinc/26/53/45/136265345.db2.gz DXGPBYCUGGUSAP-NSHDSACASA-N 1 2 234.318 2.980 20 30 BFEDLO Cc1cnc(C[N@@H+](CCC#N)CCC(C)C)cn1 ZINC000353417274 136265451 /nfs/dbraw/zinc/26/54/51/136265451.db2.gz RMLACBPFLXPUGR-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO Cc1cnc(C[N@H+](CCC#N)CCC(C)C)cn1 ZINC000353417274 136265452 /nfs/dbraw/zinc/26/54/52/136265452.db2.gz RMLACBPFLXPUGR-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO C=CCC(C)(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421577473 192355883 /nfs/dbraw/zinc/35/58/83/192355883.db2.gz OZWYWKZDALUBOJ-UHFFFAOYSA-N 1 2 246.354 2.917 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1nsc2ccccc21 ZINC000602868891 349800081 /nfs/dbraw/zinc/80/00/81/349800081.db2.gz DXKUHMQZRSWCFM-VIFPVBQESA-N 1 2 231.324 2.688 20 30 BFEDLO C=CCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421580108 192356970 /nfs/dbraw/zinc/35/69/70/192356970.db2.gz VQDXCCJOMIIHNF-UHFFFAOYSA-N 1 2 232.327 2.671 20 30 BFEDLO Cc1ccc2sc(C[NH2+][C@H](C)CC#N)nc2c1 ZINC000602870518 349801591 /nfs/dbraw/zinc/80/15/91/349801591.db2.gz MNJXGVQRYOAWSY-SNVBAGLBSA-N 1 2 245.351 2.997 20 30 BFEDLO Cc1[nH+]cccc1NCc1cc(C#N)cs1 ZINC000086573798 136280996 /nfs/dbraw/zinc/28/09/96/136280996.db2.gz QNRGUWDDGWTHGX-UHFFFAOYSA-N 1 2 229.308 2.935 20 30 BFEDLO Cc1nc(C(C)C)ccc1C[N@H+](C)CCC#N ZINC000292691278 136289156 /nfs/dbraw/zinc/28/91/56/136289156.db2.gz CMAJEDMIVIQLKH-UHFFFAOYSA-N 1 2 231.343 2.859 20 30 BFEDLO Cc1nc(C(C)C)ccc1C[N@@H+](C)CCC#N ZINC000292691278 136289157 /nfs/dbraw/zinc/28/91/57/136289157.db2.gz CMAJEDMIVIQLKH-UHFFFAOYSA-N 1 2 231.343 2.859 20 30 BFEDLO C=CC[N@@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000121498746 343266515 /nfs/dbraw/zinc/26/65/15/343266515.db2.gz ZCBMMAXTAKGKQY-UHFFFAOYSA-N 1 2 243.310 2.663 20 30 BFEDLO C=CC[N@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000121498746 343266516 /nfs/dbraw/zinc/26/65/16/343266516.db2.gz ZCBMMAXTAKGKQY-UHFFFAOYSA-N 1 2 243.310 2.663 20 30 BFEDLO C[N@H+](Cc1ccoc1)Cc1ccc(F)cc1C#N ZINC000343728409 343279741 /nfs/dbraw/zinc/27/97/41/343279741.db2.gz JJKRPZLDBDNXKM-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO C[N@@H+](Cc1ccoc1)Cc1ccc(F)cc1C#N ZINC000343728409 343279744 /nfs/dbraw/zinc/27/97/44/343279744.db2.gz JJKRPZLDBDNXKM-UHFFFAOYSA-N 1 2 244.269 2.922 20 30 BFEDLO Cc1ccc(F)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000134975961 343343142 /nfs/dbraw/zinc/34/31/42/343343142.db2.gz AZMRCYHLUWKPGS-UHFFFAOYSA-N 1 2 220.291 2.774 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000616773399 343564132 /nfs/dbraw/zinc/56/41/32/343564132.db2.gz PLSPVANWKWQSDH-MRXNPFEDSA-N 1 2 238.334 2.664 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000616773399 343564133 /nfs/dbraw/zinc/56/41/33/343564133.db2.gz PLSPVANWKWQSDH-MRXNPFEDSA-N 1 2 238.334 2.664 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000616773398 343564140 /nfs/dbraw/zinc/56/41/40/343564140.db2.gz PLSPVANWKWQSDH-INIZCTEOSA-N 1 2 238.334 2.664 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000616773398 343564141 /nfs/dbraw/zinc/56/41/41/343564141.db2.gz PLSPVANWKWQSDH-INIZCTEOSA-N 1 2 238.334 2.664 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000047979764 343569463 /nfs/dbraw/zinc/56/94/63/343569463.db2.gz JMFUVFSBHYLRPE-JTQLQIEISA-N 1 2 222.719 2.931 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000047979764 343569465 /nfs/dbraw/zinc/56/94/65/343569465.db2.gz JMFUVFSBHYLRPE-JTQLQIEISA-N 1 2 222.719 2.931 20 30 BFEDLO CCC[N@@H+](CC#N)CCCC(C)(C)C#N ZINC000087598769 343654771 /nfs/dbraw/zinc/65/47/71/343654771.db2.gz VSJBPGPAKOFZEC-UHFFFAOYSA-N 1 2 207.321 2.552 20 30 BFEDLO CCC[N@H+](CC#N)CCCC(C)(C)C#N ZINC000087598769 343654772 /nfs/dbraw/zinc/65/47/72/343654772.db2.gz VSJBPGPAKOFZEC-UHFFFAOYSA-N 1 2 207.321 2.552 20 30 BFEDLO C[N@H+](Cc1cncc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000602982708 349835272 /nfs/dbraw/zinc/83/52/72/349835272.db2.gz XAJKPJZAKFCMPW-YPMHNXCESA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1cncc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000602982708 349835276 /nfs/dbraw/zinc/83/52/76/349835276.db2.gz XAJKPJZAKFCMPW-YPMHNXCESA-N 1 2 249.745 2.859 20 30 BFEDLO Cc1ccnc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602979917 349844313 /nfs/dbraw/zinc/84/43/13/349844313.db2.gz JCLPHECGRAGJRL-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccnc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602979917 349844315 /nfs/dbraw/zinc/84/43/15/349844315.db2.gz JCLPHECGRAGJRL-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980508 349846191 /nfs/dbraw/zinc/84/61/91/349846191.db2.gz QSZONQDDGTXBSZ-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cccnc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980508 349846194 /nfs/dbraw/zinc/84/61/94/349846194.db2.gz QSZONQDDGTXBSZ-TZMCWYRMSA-N 1 2 229.327 2.514 20 30 BFEDLO N#CC[N@@H+](Cc1cc(F)ccc1O)C1CCCC1 ZINC000180182551 347016903 /nfs/dbraw/zinc/01/69/03/347016903.db2.gz LTCCLMJVGCTPCY-UHFFFAOYSA-N 1 2 248.301 2.799 20 30 BFEDLO N#CC[N@H+](Cc1cc(F)ccc1O)C1CCCC1 ZINC000180182551 347016906 /nfs/dbraw/zinc/01/69/06/347016906.db2.gz LTCCLMJVGCTPCY-UHFFFAOYSA-N 1 2 248.301 2.799 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(CCCC)n2)C1 ZINC000625701734 344052859 /nfs/dbraw/zinc/05/28/59/344052859.db2.gz CCJTXRLJWJKIKL-GFCCVEGCSA-N 1 2 249.358 2.810 20 30 BFEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(CCCC)n2)C1 ZINC000625701734 344052860 /nfs/dbraw/zinc/05/28/60/344052860.db2.gz CCJTXRLJWJKIKL-GFCCVEGCSA-N 1 2 249.358 2.810 20 30 BFEDLO C[N@H+](CCCC(C)(C)C#N)CC(F)F ZINC000128808550 344208712 /nfs/dbraw/zinc/20/87/12/344208712.db2.gz JYADLYWQMBRCSR-UHFFFAOYSA-N 1 2 204.264 2.513 20 30 BFEDLO C[N@@H+](CCCC(C)(C)C#N)CC(F)F ZINC000128808550 344208714 /nfs/dbraw/zinc/20/87/14/344208714.db2.gz JYADLYWQMBRCSR-UHFFFAOYSA-N 1 2 204.264 2.513 20 30 BFEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)ccn1 ZINC000600859739 344383213 /nfs/dbraw/zinc/38/32/13/344383213.db2.gz KUIMULKFMQGDIY-ZIAGYGMSSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)ccn1 ZINC000600859739 344383214 /nfs/dbraw/zinc/38/32/14/344383214.db2.gz KUIMULKFMQGDIY-ZIAGYGMSSA-N 1 2 229.327 2.514 20 30 BFEDLO C=CCSCc1cn2ccccc2[nH+]1 ZINC000176903315 344520039 /nfs/dbraw/zinc/52/00/39/344520039.db2.gz SHRPJBAVQQHDCE-UHFFFAOYSA-N 1 2 204.298 2.754 20 30 BFEDLO CCC(CC)[C@@H](O)C/[NH+]=C/c1ccccc1O ZINC000110129641 344543507 /nfs/dbraw/zinc/54/35/07/344543507.db2.gz GZNNDCPRRIGAKT-AHSSXEFNSA-N 1 2 235.327 2.608 20 30 BFEDLO C=CC[N@@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000152435718 344562097 /nfs/dbraw/zinc/56/20/97/344562097.db2.gz BGRYTDMOQOIJAB-CYBMUJFWSA-N 1 2 247.338 2.799 20 30 BFEDLO C=CC[N@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000152435718 344562101 /nfs/dbraw/zinc/56/21/01/344562101.db2.gz BGRYTDMOQOIJAB-CYBMUJFWSA-N 1 2 247.338 2.799 20 30 BFEDLO Cc1ccc(NCc2ccc(C#N)s2)c[nH+]1 ZINC000128050576 344725071 /nfs/dbraw/zinc/72/50/71/344725071.db2.gz GBYLJLFLNITZAK-UHFFFAOYSA-N 1 2 229.308 2.935 20 30 BFEDLO CCC(CC)c1cc(C[NH2+]CCC#N)on1 ZINC000562997186 323078863 /nfs/dbraw/zinc/07/88/63/323078863.db2.gz WCPBWIAFWOJDEY-UHFFFAOYSA-N 1 2 221.304 2.581 20 30 BFEDLO C#CCCCC/[NH+]=C/c1cc(OC)ccc1O ZINC000121031609 344908016 /nfs/dbraw/zinc/90/80/16/344908016.db2.gz HFXGNYMDFFHNEW-RVDMUPIBSA-N 1 2 231.295 2.623 20 30 BFEDLO Oc1ccc(/C=[NH+]/C[C@@H]2CC=CCC2)c(O)c1O ZINC000121236352 344917652 /nfs/dbraw/zinc/91/76/52/344917652.db2.gz JFZIGLYXKCWUCU-KXUVPBGPSA-N 1 2 247.294 2.579 20 30 BFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](F)C2)c(F)c1 ZINC000583446293 344989697 /nfs/dbraw/zinc/98/96/97/344989697.db2.gz XILGDIBSYDOCEA-LBPRGKRZSA-N 1 2 236.265 2.631 20 30 BFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(F)c1 ZINC000583446293 344989701 /nfs/dbraw/zinc/98/97/01/344989701.db2.gz XILGDIBSYDOCEA-LBPRGKRZSA-N 1 2 236.265 2.631 20 30 BFEDLO C=CCOc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000132274646 345324743 /nfs/dbraw/zinc/32/47/43/345324743.db2.gz IHWFUZCLNIVXFY-CYBMUJFWSA-N 1 2 244.338 2.985 20 30 BFEDLO C=CCOc1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000132274646 345324745 /nfs/dbraw/zinc/32/47/45/345324745.db2.gz IHWFUZCLNIVXFY-CYBMUJFWSA-N 1 2 244.338 2.985 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000132288859 345325470 /nfs/dbraw/zinc/32/54/70/345325470.db2.gz UQEQTACGJQVVIY-QMMMGPOBSA-N 1 2 242.244 2.838 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000132288859 345325472 /nfs/dbraw/zinc/32/54/72/345325472.db2.gz UQEQTACGJQVVIY-QMMMGPOBSA-N 1 2 242.244 2.838 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(F)cc1Cl ZINC000183822309 345939272 /nfs/dbraw/zinc/93/92/72/345939272.db2.gz JIMYURAPZACNFL-QMMMGPOBSA-N 1 2 226.682 2.728 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000381584436 346387558 /nfs/dbraw/zinc/38/75/58/346387558.db2.gz GUBWHNVWEBBDAD-UHFFFAOYSA-N 1 2 238.693 2.872 20 30 BFEDLO C=CCC(C)(C)CNc1nc[nH+]c(N)c1Cl ZINC000309546127 347097808 /nfs/dbraw/zinc/09/78/08/347097808.db2.gz ZXZZBSCOIJWMMI-UHFFFAOYSA-N 1 2 240.738 2.726 20 30 BFEDLO C=CCC(C)(C)CNc1[nH+]cnc(N)c1Cl ZINC000309546127 347097811 /nfs/dbraw/zinc/09/78/11/347097811.db2.gz ZXZZBSCOIJWMMI-UHFFFAOYSA-N 1 2 240.738 2.726 20 30 BFEDLO C=CC[N@@H+](CCC#N)[C@H](C)c1ccncc1 ZINC000590002649 346761025 /nfs/dbraw/zinc/76/10/25/346761025.db2.gz JENHLCKHDKXMDZ-GFCCVEGCSA-N 1 2 215.300 2.544 20 30 BFEDLO C=CC[N@H+](CCC#N)[C@H](C)c1ccncc1 ZINC000590002649 346761030 /nfs/dbraw/zinc/76/10/30/346761030.db2.gz JENHLCKHDKXMDZ-GFCCVEGCSA-N 1 2 215.300 2.544 20 30 BFEDLO C[C@H](CCC#N)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000589822191 346739652 /nfs/dbraw/zinc/73/96/52/346739652.db2.gz KPXXTNULKWIAIC-OLZOCXBDSA-N 1 2 233.359 2.940 20 30 BFEDLO C[C@H](CCC#N)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000589822191 346739654 /nfs/dbraw/zinc/73/96/54/346739654.db2.gz KPXXTNULKWIAIC-OLZOCXBDSA-N 1 2 233.359 2.940 20 30 BFEDLO CO[C@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000188127917 347273716 /nfs/dbraw/zinc/27/37/16/347273716.db2.gz HKWCNXXJCACVSC-HPUUJOOBSA-N 1 2 243.306 2.999 20 30 BFEDLO Cc1occc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000591260716 347635566 /nfs/dbraw/zinc/63/55/66/347635566.db2.gz MSGVECACBALDNO-ZDUSSCGKSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1occc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000591260716 347635568 /nfs/dbraw/zinc/63/55/68/347635568.db2.gz MSGVECACBALDNO-ZDUSSCGKSA-N 1 2 218.300 2.714 20 30 BFEDLO COCCCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593122325 347863625 /nfs/dbraw/zinc/86/36/25/347863625.db2.gz OWOBSPIKLYSHQQ-UHFFFAOYSA-N 1 2 244.338 2.691 20 30 BFEDLO COCCCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593122325 347863627 /nfs/dbraw/zinc/86/36/27/347863627.db2.gz OWOBSPIKLYSHQQ-UHFFFAOYSA-N 1 2 244.338 2.691 20 30 BFEDLO CCc1cc[nH+]cc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000593680440 347932369 /nfs/dbraw/zinc/93/23/69/347932369.db2.gz WFSUQMGLCHJUGD-ZYHUDNBSSA-N 1 2 215.300 2.748 20 30 BFEDLO COCc1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000593652807 347921372 /nfs/dbraw/zinc/92/13/72/347921372.db2.gz OMPMDXOVMMZHKN-UHFFFAOYSA-N 1 2 248.326 2.600 20 30 BFEDLO Cc1ncccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028276 347992348 /nfs/dbraw/zinc/99/23/48/347992348.db2.gz LCTXXNRWHPHVIX-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO Cc1ncccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028276 347992351 /nfs/dbraw/zinc/99/23/51/347992351.db2.gz LCTXXNRWHPHVIX-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cnccn1 ZINC000594717242 348107024 /nfs/dbraw/zinc/10/70/24/348107024.db2.gz KAHLEQFABSBKQW-LBPRGKRZSA-N 1 2 244.342 2.601 20 30 BFEDLO Cc1occc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594626193 348084892 /nfs/dbraw/zinc/08/48/92/348084892.db2.gz YBPHFFOSAQYKJI-UHFFFAOYSA-N 1 2 238.290 2.976 20 30 BFEDLO Cc1occc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594626193 348084894 /nfs/dbraw/zinc/08/48/94/348084894.db2.gz YBPHFFOSAQYKJI-UHFFFAOYSA-N 1 2 238.290 2.976 20 30 BFEDLO N#CC1(c2ccc(C[NH2+]CC(F)F)cc2)CC1 ZINC000594941680 348143803 /nfs/dbraw/zinc/14/38/03/348143803.db2.gz YSTLRTGQQNNLSV-UHFFFAOYSA-N 1 2 236.265 2.596 20 30 BFEDLO N#Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000594982169 348165051 /nfs/dbraw/zinc/16/50/51/348165051.db2.gz ZYWHEICVDHXBGQ-UHFFFAOYSA-N 1 2 243.310 2.715 20 30 BFEDLO CC[N@H+](C[C@H]1CCOC1)[C@H](C#N)c1ccccc1 ZINC000595297784 348216871 /nfs/dbraw/zinc/21/68/71/348216871.db2.gz OQOAFEKQMKGNKW-UKRRQHHQSA-N 1 2 244.338 2.610 20 30 BFEDLO CC[N@@H+](C[C@H]1CCOC1)[C@H](C#N)c1ccccc1 ZINC000595297784 348216873 /nfs/dbraw/zinc/21/68/73/348216873.db2.gz OQOAFEKQMKGNKW-UKRRQHHQSA-N 1 2 244.338 2.610 20 30 BFEDLO CC[N@@H+](CC#N)CC[C@@H]1CCc2ccccc21 ZINC000595301433 348218751 /nfs/dbraw/zinc/21/87/51/348218751.db2.gz KUBWYGIZRMOJSB-AWEZNQCLSA-N 1 2 228.339 2.952 20 30 BFEDLO CC[N@H+](CC#N)CC[C@@H]1CCc2ccccc21 ZINC000595301433 348218754 /nfs/dbraw/zinc/21/87/54/348218754.db2.gz KUBWYGIZRMOJSB-AWEZNQCLSA-N 1 2 228.339 2.952 20 30 BFEDLO CC[C@H](CC(F)F)C[NH+]1CC(C)(C#N)C1 ZINC000595465689 348257933 /nfs/dbraw/zinc/25/79/33/348257933.db2.gz FFWLNSGGZVXYFP-SECBINFHSA-N 1 2 216.275 2.513 20 30 BFEDLO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CC#N ZINC000595601737 348286277 /nfs/dbraw/zinc/28/62/77/348286277.db2.gz RNLSDQLZYUJLKB-CYBMUJFWSA-N 1 2 214.312 2.964 20 30 BFEDLO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CC#N ZINC000595601737 348286279 /nfs/dbraw/zinc/28/62/79/348286279.db2.gz RNLSDQLZYUJLKB-CYBMUJFWSA-N 1 2 214.312 2.964 20 30 BFEDLO C[C@@H](C#N)[N@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000595710022 348321349 /nfs/dbraw/zinc/32/13/49/348321349.db2.gz LWXMUBIQQACXMG-VHSXEESVSA-N 1 2 228.286 2.798 20 30 BFEDLO C[C@@H](C#N)[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000595710022 348321354 /nfs/dbraw/zinc/32/13/54/348321354.db2.gz LWXMUBIQQACXMG-VHSXEESVSA-N 1 2 228.286 2.798 20 30 BFEDLO C[C@@H](C#N)[N@H+](CCCC1CCOCC1)C1CC1 ZINC000595710549 348322552 /nfs/dbraw/zinc/32/25/52/348322552.db2.gz STLKUQLBLRFQEO-LBPRGKRZSA-N 1 2 236.359 2.570 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CCCC1CCOCC1)C1CC1 ZINC000595710549 348322555 /nfs/dbraw/zinc/32/25/55/348322555.db2.gz STLKUQLBLRFQEO-LBPRGKRZSA-N 1 2 236.359 2.570 20 30 BFEDLO CC[N@H+](CCCCCn1cc(C)cn1)[C@@H](C)C#N ZINC000595812898 348352151 /nfs/dbraw/zinc/35/21/51/348352151.db2.gz JJHGZJHWGQGEHH-AWEZNQCLSA-N 1 2 248.374 2.596 20 30 BFEDLO CC[N@@H+](CCCCCn1cc(C)cn1)[C@@H](C)C#N ZINC000595812898 348352155 /nfs/dbraw/zinc/35/21/55/348352155.db2.gz JJHGZJHWGQGEHH-AWEZNQCLSA-N 1 2 248.374 2.596 20 30 BFEDLO CC[C@H](CC(F)F)C[N@H+](CC)[C@@H](C)C#N ZINC000595815487 348343302 /nfs/dbraw/zinc/34/33/02/348343302.db2.gz BTPHNGXCDZFNRV-VHSXEESVSA-N 1 2 218.291 2.902 20 30 BFEDLO CC[C@H](CC(F)F)C[N@@H+](CC)[C@@H](C)C#N ZINC000595815487 348343305 /nfs/dbraw/zinc/34/33/05/348343305.db2.gz BTPHNGXCDZFNRV-VHSXEESVSA-N 1 2 218.291 2.902 20 30 BFEDLO CCCc1nc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595841077 348375196 /nfs/dbraw/zinc/37/51/96/348375196.db2.gz HCPSIJSQKXNXRN-AWEZNQCLSA-N 1 2 247.342 2.671 20 30 BFEDLO CCCc1nc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595841077 348375198 /nfs/dbraw/zinc/37/51/98/348375198.db2.gz HCPSIJSQKXNXRN-AWEZNQCLSA-N 1 2 247.342 2.671 20 30 BFEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1C ZINC000595841131 348375471 /nfs/dbraw/zinc/37/54/71/348375471.db2.gz IFQHOPMAHZPTNM-HNNXBMFYSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1C ZINC000595841131 348375473 /nfs/dbraw/zinc/37/54/73/348375473.db2.gz IFQHOPMAHZPTNM-HNNXBMFYSA-N 1 2 244.338 2.739 20 30 BFEDLO Cc1ccc(F)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842246 348378390 /nfs/dbraw/zinc/37/83/90/348378390.db2.gz QJQXDDLHFWIIME-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(F)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842246 348378391 /nfs/dbraw/zinc/37/83/91/348378391.db2.gz QJQXDDLHFWIIME-AWEZNQCLSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1C#N ZINC000595843722 348380719 /nfs/dbraw/zinc/38/07/19/348380719.db2.gz MVHFNSYLYAQJQG-HNNXBMFYSA-N 1 2 239.322 2.602 20 30 BFEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1C#N ZINC000595843722 348380720 /nfs/dbraw/zinc/38/07/20/348380720.db2.gz MVHFNSYLYAQJQG-HNNXBMFYSA-N 1 2 239.322 2.602 20 30 BFEDLO N#CC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000595882187 348388555 /nfs/dbraw/zinc/38/85/55/348388555.db2.gz YSTVVSMORBYYJZ-CYBMUJFWSA-N 1 2 206.333 2.802 20 30 BFEDLO N#CC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000595882187 348388557 /nfs/dbraw/zinc/38/85/57/348388557.db2.gz YSTVVSMORBYYJZ-CYBMUJFWSA-N 1 2 206.333 2.802 20 30 BFEDLO CC[N@H+](CCCCOC(C)(C)C)[C@H](C)C#N ZINC000595820607 348361502 /nfs/dbraw/zinc/36/15/02/348361502.db2.gz NGXSEFYYLOVHPP-GFCCVEGCSA-N 1 2 226.364 2.816 20 30 BFEDLO CC[N@@H+](CCCCOC(C)(C)C)[C@H](C)C#N ZINC000595820607 348361504 /nfs/dbraw/zinc/36/15/04/348361504.db2.gz NGXSEFYYLOVHPP-GFCCVEGCSA-N 1 2 226.364 2.816 20 30 BFEDLO C=C(C)C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000264179888 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N#C[C@@]1(F)CC[N@H+](CCC2CCCC2)C1 ZINC000615642959 368185687 /nfs/dbraw/zinc/18/56/87/368185687.db2.gz DCCQRRUPGVXLBP-LBPRGKRZSA-N 1 2 210.296 2.504 20 30 BFEDLO N#C[C@@]1(F)CC[N@@H+](CCC2CCCC2)C1 ZINC000615642959 368185691 /nfs/dbraw/zinc/18/56/91/368185691.db2.gz DCCQRRUPGVXLBP-LBPRGKRZSA-N 1 2 210.296 2.504 20 30 BFEDLO CCC(C)(C)CC[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615645896 368188315 /nfs/dbraw/zinc/18/83/15/368188315.db2.gz QLVMIJHXLXHZFV-LBPRGKRZSA-N 1 2 212.312 2.750 20 30 BFEDLO CCC(C)(C)CC[N@H+]1CC[C@](F)(C#N)C1 ZINC000615645896 368188321 /nfs/dbraw/zinc/18/83/21/368188321.db2.gz QLVMIJHXLXHZFV-LBPRGKRZSA-N 1 2 212.312 2.750 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)cn1 ZINC000566428667 326045662 /nfs/dbraw/zinc/04/56/62/326045662.db2.gz JKOYBWPGNYMOTC-JTQLQIEISA-N 1 2 223.707 2.517 20 30 BFEDLO C[N@@H+](CCC#N)CCOc1ccc(Cl)cc1 ZINC000046437745 368444166 /nfs/dbraw/zinc/44/41/66/368444166.db2.gz MXQYFUICSGUSBG-UHFFFAOYSA-N 1 2 238.718 2.564 20 30 BFEDLO C[N@H+](CCC#N)CCOc1ccc(Cl)cc1 ZINC000046437745 368444172 /nfs/dbraw/zinc/44/41/72/368444172.db2.gz MXQYFUICSGUSBG-UHFFFAOYSA-N 1 2 238.718 2.564 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1nc(CC(C)C)no1 ZINC000042666545 368978434 /nfs/dbraw/zinc/97/84/34/368978434.db2.gz KENAGGSJIGJAPC-UHFFFAOYSA-N 1 2 237.347 2.666 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1nc(CC(C)C)no1 ZINC000042666545 368978441 /nfs/dbraw/zinc/97/84/41/368978441.db2.gz KENAGGSJIGJAPC-UHFFFAOYSA-N 1 2 237.347 2.666 20 30 BFEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1ccccn1 ZINC000155311263 326192154 /nfs/dbraw/zinc/19/21/54/326192154.db2.gz CDBOQQWWBPHUAZ-RYUDHWBXSA-N 1 2 217.316 2.624 20 30 BFEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1ccccn1 ZINC000155311263 326192157 /nfs/dbraw/zinc/19/21/57/326192157.db2.gz CDBOQQWWBPHUAZ-RYUDHWBXSA-N 1 2 217.316 2.624 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)CCc1c(F)cccc1F ZINC000402838713 369392801 /nfs/dbraw/zinc/39/28/01/369392801.db2.gz WAEQKJMQUHHCAF-SNVBAGLBSA-N 1 2 238.281 2.599 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)CCc1c(F)cccc1F ZINC000402838713 369392804 /nfs/dbraw/zinc/39/28/04/369392804.db2.gz WAEQKJMQUHHCAF-SNVBAGLBSA-N 1 2 238.281 2.599 20 30 BFEDLO Cc1ccc(C[NH2+]C[C@H](C)C#N)c(Cl)c1 ZINC000404487926 369430775 /nfs/dbraw/zinc/43/07/75/369430775.db2.gz OGJSUBVKFLUFJA-SNVBAGLBSA-N 1 2 222.719 2.898 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)cc1F ZINC000404982732 369441248 /nfs/dbraw/zinc/44/12/48/369441248.db2.gz CWKWKJNSOJELNO-LLVKDONJSA-N 1 2 236.290 2.616 20 30 BFEDLO C[C@H](c1ccncc1)[N@H+](C)CC(C)(C)C#N ZINC000405181603 369447555 /nfs/dbraw/zinc/44/75/55/369447555.db2.gz WWGVTOQKFJHHOD-LLVKDONJSA-N 1 2 217.316 2.624 20 30 BFEDLO C[C@H](c1ccncc1)[N@@H+](C)CC(C)(C)C#N ZINC000405181603 369447558 /nfs/dbraw/zinc/44/75/58/369447558.db2.gz WWGVTOQKFJHHOD-LLVKDONJSA-N 1 2 217.316 2.624 20 30 BFEDLO Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000259954148 370958936 /nfs/dbraw/zinc/95/89/36/370958936.db2.gz IZQKRPYPQLUPKA-NSHDSACASA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000259954148 370958942 /nfs/dbraw/zinc/95/89/42/370958942.db2.gz IZQKRPYPQLUPKA-NSHDSACASA-N 1 2 235.356 2.577 20 30 BFEDLO C=C[C@@H]([NH2+][C@H](CCCC)C1CCC1)C(=O)OC ZINC000619720593 369551563 /nfs/dbraw/zinc/55/15/63/369551563.db2.gz UCJOODCQDDBGIS-CHWSQXEVSA-N 1 2 239.359 2.663 20 30 BFEDLO N#Cc1cc(-c2c[nH+]c3n2CCCC3)ccc1F ZINC000600845604 369568164 /nfs/dbraw/zinc/56/81/64/369568164.db2.gz PXXVWLFQLSFTGR-UHFFFAOYSA-N 1 2 241.269 2.897 20 30 BFEDLO N#Cc1cccc(-c2c[nH+]c3n2CCCC3)c1 ZINC000600845191 369568366 /nfs/dbraw/zinc/56/83/66/369568366.db2.gz JUYYHWDFEHKQFK-UHFFFAOYSA-N 1 2 223.279 2.758 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000309790842 370261114 /nfs/dbraw/zinc/26/11/14/370261114.db2.gz UJFKSNBKQCQATG-RKDXNWHRSA-N 1 2 224.254 2.918 20 30 BFEDLO C=CCCC[C@H](C)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621943880 370611993 /nfs/dbraw/zinc/61/19/93/370611993.db2.gz OZSWWUUBFSMXKV-NSHDSACASA-N 1 2 249.358 2.548 20 30 BFEDLO C=CCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631355847 372311878 /nfs/dbraw/zinc/31/18/78/372311878.db2.gz SDDPVLLKHOFHMN-UHFFFAOYSA-N 1 2 228.299 2.775 20 30 BFEDLO C=C1CC(C)(C(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000633361084 373494853 /nfs/dbraw/zinc/49/48/53/373494853.db2.gz OIMYYFUTTZVDQX-UHFFFAOYSA-N 1 2 244.338 2.671 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCO[C@@H](C2CC2)C1 ZINC000154227301 183299679 /nfs/dbraw/zinc/29/96/79/183299679.db2.gz JWHRJPMTPMWJAR-SRECSKBZSA-N 1 2 245.322 2.769 20 30 BFEDLO COc1cc(C)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000449339592 383902287 /nfs/dbraw/zinc/90/22/87/383902287.db2.gz KTBGAFWRPASWKQ-UHFFFAOYSA-N 1 2 246.354 2.985 20 30 BFEDLO COc1cc(C)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000449339592 383902297 /nfs/dbraw/zinc/90/22/97/383902297.db2.gz KTBGAFWRPASWKQ-UHFFFAOYSA-N 1 2 246.354 2.985 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1ccc(Cl)cn1)C1CC1 ZINC000558406388 383984153 /nfs/dbraw/zinc/98/41/53/383984153.db2.gz FMEOEXOBUJFWGT-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(Cl)cn1)C1CC1 ZINC000558406388 383984156 /nfs/dbraw/zinc/98/41/56/383984156.db2.gz FMEOEXOBUJFWGT-SNVBAGLBSA-N 1 2 249.745 2.859 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000298861908 384034731 /nfs/dbraw/zinc/03/47/31/384034731.db2.gz JCHPAKNKUHRFSP-LLVKDONJSA-N 1 2 243.734 2.872 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ncc(C)c(OC)c1C ZINC000299520127 384268597 /nfs/dbraw/zinc/26/85/97/384268597.db2.gz LEVRULYKSTXEHH-UHFFFAOYSA-N 1 2 246.354 2.881 20 30 BFEDLO C[N@H+](Cc1cc(C#N)cs1)C(C)(C)C ZINC000335449254 384290681 /nfs/dbraw/zinc/29/06/81/384290681.db2.gz JLGFDMDOOSOPFK-UHFFFAOYSA-N 1 2 208.330 2.850 20 30 BFEDLO C[N@@H+](Cc1cc(C#N)cs1)C(C)(C)C ZINC000335449254 384290687 /nfs/dbraw/zinc/29/06/87/384290687.db2.gz JLGFDMDOOSOPFK-UHFFFAOYSA-N 1 2 208.330 2.850 20 30 BFEDLO CC[C@H]1CN(c2cc(C)[nH+]cc2C#N)CCS1 ZINC000335511911 384295172 /nfs/dbraw/zinc/29/51/72/384295172.db2.gz OSDVOEILHJNEOZ-LBPRGKRZSA-N 1 2 247.367 2.594 20 30 BFEDLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)s1 ZINC000135806444 384366106 /nfs/dbraw/zinc/36/61/06/384366106.db2.gz UZBABCXMGYZTDL-SECBINFHSA-N 1 2 247.323 2.767 20 30 BFEDLO CC(C)CC[N@H+](CCC#N)Cc1cccnc1 ZINC000078662463 384454927 /nfs/dbraw/zinc/45/49/27/384454927.db2.gz OLUOTQOIJMHDDO-UHFFFAOYSA-N 1 2 231.343 2.843 20 30 BFEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccnc1 ZINC000078662463 384454933 /nfs/dbraw/zinc/45/49/33/384454933.db2.gz OLUOTQOIJMHDDO-UHFFFAOYSA-N 1 2 231.343 2.843 20 30 BFEDLO CC[N@@H+](Cc1sc(C)nc1C)C[C@@H](C)C#N ZINC000172760515 384523528 /nfs/dbraw/zinc/52/35/28/384523528.db2.gz GKOUJRIGHSWBLJ-VIFPVBQESA-N 1 2 237.372 2.742 20 30 BFEDLO CC[N@H+](Cc1sc(C)nc1C)C[C@@H](C)C#N ZINC000172760515 384523536 /nfs/dbraw/zinc/52/35/36/384523536.db2.gz GKOUJRIGHSWBLJ-VIFPVBQESA-N 1 2 237.372 2.742 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000161932157 384543429 /nfs/dbraw/zinc/54/34/29/384543429.db2.gz YVGXARIADQZQQK-LBPRGKRZSA-N 1 2 246.741 2.925 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000161932157 384543436 /nfs/dbraw/zinc/54/34/36/384543436.db2.gz YVGXARIADQZQQK-LBPRGKRZSA-N 1 2 246.741 2.925 20 30 BFEDLO COc1ccc(C[N@H+](C)CCC#N)cc1Cl ZINC000160888134 384797569 /nfs/dbraw/zinc/79/75/69/384797569.db2.gz HJOMMBJXLCIIPQ-UHFFFAOYSA-N 1 2 238.718 2.694 20 30 BFEDLO COc1ccc(C[N@@H+](C)CCC#N)cc1Cl ZINC000160888134 384797575 /nfs/dbraw/zinc/79/75/75/384797575.db2.gz HJOMMBJXLCIIPQ-UHFFFAOYSA-N 1 2 238.718 2.694 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297700095 384884285 /nfs/dbraw/zinc/88/42/85/384884285.db2.gz IHJVWPWFJJNIAS-AWEZNQCLSA-N 1 2 243.310 2.875 20 30 BFEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(C2CC2)no1 ZINC000297741821 384905573 /nfs/dbraw/zinc/90/55/73/384905573.db2.gz DBSRRMJYZKRXCJ-SNVBAGLBSA-N 1 2 233.315 2.682 20 30 BFEDLO CC[N@H+](CCC#N)Cc1c(O)cccc1Cl ZINC000127642778 384925896 /nfs/dbraw/zinc/92/58/96/384925896.db2.gz NTYOWCANEHRGJU-UHFFFAOYSA-N 1 2 238.718 2.781 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1c(O)cccc1Cl ZINC000127642778 384925905 /nfs/dbraw/zinc/92/59/05/384925905.db2.gz NTYOWCANEHRGJU-UHFFFAOYSA-N 1 2 238.718 2.781 20 30 BFEDLO CC[N@H+](CCC#N)Cc1sccc1C ZINC000127651644 384930296 /nfs/dbraw/zinc/93/02/96/384930296.db2.gz URLYDGDWOXVLSO-UHFFFAOYSA-N 1 2 208.330 2.792 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1sccc1C ZINC000127651644 384930299 /nfs/dbraw/zinc/93/02/99/384930299.db2.gz URLYDGDWOXVLSO-UHFFFAOYSA-N 1 2 208.330 2.792 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297919449 384990350 /nfs/dbraw/zinc/99/03/50/384990350.db2.gz XQOMNVNOHJCMGR-NSHDSACASA-N 1 2 243.310 2.875 20 30 BFEDLO Cc1ccc(F)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000129168382 385117493 /nfs/dbraw/zinc/11/74/93/385117493.db2.gz OZSGYDYSUVTHPQ-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc(F)cc1C[N@H+](C)[C@H](C)CC#N ZINC000129168382 385117496 /nfs/dbraw/zinc/11/74/96/385117496.db2.gz OZSGYDYSUVTHPQ-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO N#CCC[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000130392191 385245244 /nfs/dbraw/zinc/24/52/44/385245244.db2.gz AUFAUCAEWXKBOC-ZDUSSCGKSA-N 1 2 240.310 2.544 20 30 BFEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)CCC#N ZINC000154256189 385311789 /nfs/dbraw/zinc/31/17/89/385311789.db2.gz VYQGGIALQPSOHA-UHFFFAOYSA-N 1 2 246.741 2.927 20 30 BFEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)CCC#N ZINC000154256189 385311795 /nfs/dbraw/zinc/31/17/95/385311795.db2.gz VYQGGIALQPSOHA-UHFFFAOYSA-N 1 2 246.741 2.927 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000155081166 385375363 /nfs/dbraw/zinc/37/53/63/385375363.db2.gz OQEFSGIFKPXEEN-GVQTTWGWSA-N 1 2 245.322 2.769 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(OC)c1F ZINC000192974369 385379611 /nfs/dbraw/zinc/37/96/11/385379611.db2.gz CKWFLZXSAUFANB-LLVKDONJSA-N 1 2 236.290 2.616 20 30 BFEDLO C[C@@H]([NH2+]CCC#N)c1c(F)cccc1F ZINC000020199571 385422181 /nfs/dbraw/zinc/42/21/81/385422181.db2.gz KIJMGXWZOGICHC-MRVPVSSYSA-N 1 2 210.227 2.529 20 30 BFEDLO N#CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000020199943 385422678 /nfs/dbraw/zinc/42/26/78/385422678.db2.gz YZTWHZXWAFMJHS-UHFFFAOYSA-N 1 2 229.110 2.997 20 30 BFEDLO CCOc1cccc(/C=[NH+]/CCCCC#N)c1O ZINC000171417187 385483022 /nfs/dbraw/zinc/48/30/22/385483022.db2.gz RPHAPXGYUYCVJZ-LFIBNONCSA-N 1 2 246.310 2.904 20 30 BFEDLO Cc1cc(C)c(C[N@@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000602772561 385820305 /nfs/dbraw/zinc/82/03/05/385820305.db2.gz SZCYTRBIMKWEQZ-SNVBAGLBSA-N 1 2 231.343 2.598 20 30 BFEDLO Cc1cc(C)c(C[N@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000602772561 385820310 /nfs/dbraw/zinc/82/03/10/385820310.db2.gz SZCYTRBIMKWEQZ-SNVBAGLBSA-N 1 2 231.343 2.598 20 30 BFEDLO C=CC[N@@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000189704856 386074058 /nfs/dbraw/zinc/07/40/58/386074058.db2.gz OSRJCODPXNCBDM-UHFFFAOYSA-N 1 2 227.311 2.695 20 30 BFEDLO C=CC[N@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000189704856 386074061 /nfs/dbraw/zinc/07/40/61/386074061.db2.gz OSRJCODPXNCBDM-UHFFFAOYSA-N 1 2 227.311 2.695 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000093090415 386128326 /nfs/dbraw/zinc/12/83/26/386128326.db2.gz GRLFJHQEMVLTPA-VIFPVBQESA-N 1 2 224.254 2.699 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000093090415 386128329 /nfs/dbraw/zinc/12/83/29/386128329.db2.gz GRLFJHQEMVLTPA-VIFPVBQESA-N 1 2 224.254 2.699 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccon1 ZINC000361756705 386253266 /nfs/dbraw/zinc/25/32/66/386253266.db2.gz VQRKGLOCBWKEKD-SECBINFHSA-N 1 2 245.257 2.536 20 30 BFEDLO CCc1cnc(C[N@H+](C)[C@@H](C)CCC#N)s1 ZINC000276351325 386307527 /nfs/dbraw/zinc/30/75/27/386307527.db2.gz WMVOOTTUOAXLOI-JTQLQIEISA-N 1 2 237.372 2.830 20 30 BFEDLO CCc1cnc(C[N@@H+](C)[C@@H](C)CCC#N)s1 ZINC000276351325 386307529 /nfs/dbraw/zinc/30/75/29/386307529.db2.gz WMVOOTTUOAXLOI-JTQLQIEISA-N 1 2 237.372 2.830 20 30 BFEDLO CC(C)[N@H+](Cc1ccco1)CC1(C#N)CC1 ZINC000347452568 386409735 /nfs/dbraw/zinc/40/97/35/386409735.db2.gz CJNKTCXYSUMUHV-UHFFFAOYSA-N 1 2 218.300 2.794 20 30 BFEDLO CC(C)[N@@H+](Cc1ccco1)CC1(C#N)CC1 ZINC000347452568 386409737 /nfs/dbraw/zinc/40/97/37/386409737.db2.gz CJNKTCXYSUMUHV-UHFFFAOYSA-N 1 2 218.300 2.794 20 30 BFEDLO C=CC[N@@H+](Cc1csc(Cl)n1)C1CC1 ZINC000296225537 386711347 /nfs/dbraw/zinc/71/13/47/386711347.db2.gz HCWRUCMAZIIUTD-UHFFFAOYSA-N 1 2 228.748 2.947 20 30 BFEDLO C=CC[N@H+](Cc1csc(Cl)n1)C1CC1 ZINC000296225537 386711355 /nfs/dbraw/zinc/71/13/55/386711355.db2.gz HCWRUCMAZIIUTD-UHFFFAOYSA-N 1 2 228.748 2.947 20 30 BFEDLO CC1(C)CCC[N@H+](CC[C@@H]2CCCO2)[C@@H]1C#N ZINC000334782435 386840463 /nfs/dbraw/zinc/84/04/63/386840463.db2.gz XPKRCQPBAIOYEU-QWHCGFSZSA-N 1 2 236.359 2.570 20 30 BFEDLO CC1(C)CCC[N@@H+](CC[C@@H]2CCCO2)[C@@H]1C#N ZINC000334782435 386840471 /nfs/dbraw/zinc/84/04/71/386840471.db2.gz XPKRCQPBAIOYEU-QWHCGFSZSA-N 1 2 236.359 2.570 20 30 BFEDLO C[C@H](CCCC#N)[N@@H+]1CCCC(F)(F)C1 ZINC001172491610 974837731 /nfs/dbraw/zinc/83/77/31/974837731.db2.gz FPBTZBUYMBJEPY-SNVBAGLBSA-N 1 2 216.275 2.800 20 30 BFEDLO C[C@H](CCCC#N)[N@H+]1CCCC(F)(F)C1 ZINC001172491610 974837735 /nfs/dbraw/zinc/83/77/35/974837735.db2.gz FPBTZBUYMBJEPY-SNVBAGLBSA-N 1 2 216.275 2.800 20 30 BFEDLO Cc1cc(N[C@H]2CCCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000399528313 386957424 /nfs/dbraw/zinc/95/74/24/386957424.db2.gz TXJZOUAQSUPEGD-GWCFXTLKSA-N 1 2 229.327 2.674 20 30 BFEDLO C[N@@H+](CC#N)CC/C=C/c1ccccc1 ZINC000323766481 387002707 /nfs/dbraw/zinc/00/27/07/387002707.db2.gz YLLFENDMMPVUNV-WEVVVXLNSA-N 1 2 200.285 2.545 20 30 BFEDLO C[N@H+](CC#N)CC/C=C/c1ccccc1 ZINC000323766481 387002710 /nfs/dbraw/zinc/00/27/10/387002710.db2.gz YLLFENDMMPVUNV-WEVVVXLNSA-N 1 2 200.285 2.545 20 30 BFEDLO C[C@H]1CC[N@H+](CCC(C)(C)C#N)CC1(F)F ZINC000334936566 387012409 /nfs/dbraw/zinc/01/24/09/387012409.db2.gz NSDFFEQZAZZQPF-JTQLQIEISA-N 1 2 230.302 2.903 20 30 BFEDLO C[C@H]1CC[N@@H+](CCC(C)(C)C#N)CC1(F)F ZINC000334936566 387012413 /nfs/dbraw/zinc/01/24/13/387012413.db2.gz NSDFFEQZAZZQPF-JTQLQIEISA-N 1 2 230.302 2.903 20 30 BFEDLO Cc1cc(N[C@H]2CC23CCCCC3)c(C#N)c[nH+]1 ZINC000399404172 387017648 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C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1F ZINC000679221739 487785051 /nfs/dbraw/zinc/78/50/51/487785051.db2.gz LPYSJTWADCLSHT-WFASDCNBSA-N 1 2 249.304 2.857 20 30 BFEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1F ZINC000679221739 487785056 /nfs/dbraw/zinc/78/50/56/487785056.db2.gz LPYSJTWADCLSHT-WFASDCNBSA-N 1 2 249.304 2.857 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@]1(C)CC1(Cl)Cl ZINC000829993187 587531349 /nfs/dbraw/zinc/53/13/49/587531349.db2.gz DGBPRACBTCVDHO-JTQLQIEISA-N 1 2 247.169 2.972 20 30 BFEDLO CCc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595609698 487872350 /nfs/dbraw/zinc/87/23/50/487872350.db2.gz OBTXULGJDYIMQX-LLVKDONJSA-N 1 2 249.383 2.831 20 30 BFEDLO CCc1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595609698 487872357 /nfs/dbraw/zinc/87/23/57/487872357.db2.gz OBTXULGJDYIMQX-LLVKDONJSA-N 1 2 249.383 2.831 20 30 BFEDLO Cc1cc(NC[C@@H]2CC[C@H]3C[C@H]3C2)c(C#N)c[nH+]1 ZINC000403438775 323002252 /nfs/dbraw/zinc/00/22/52/323002252.db2.gz VITAYWYDLYLZDP-FRRDWIJNSA-N 1 2 241.338 2.532 20 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C#CC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000060995558 324054831 /nfs/dbraw/zinc/05/48/31/324054831.db2.gz YIYGJBXSXUCMBP-JTQLQIEISA-N 1 2 230.336 2.922 20 30 BFEDLO C=C[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000129298991 324935130 /nfs/dbraw/zinc/93/51/30/324935130.db2.gz JDXLJSROYHSTNC-MRVPVSSYSA-N 1 2 203.289 2.649 20 30 BFEDLO CSCCC[N@H+](CC#N)C1CCCC1 ZINC000075752096 325309995 /nfs/dbraw/zinc/30/99/95/325309995.db2.gz ARLQHSDMCDHYQD-UHFFFAOYSA-N 1 2 212.362 2.508 20 30 BFEDLO CSCCC[N@@H+](CC#N)C1CCCC1 ZINC000075752096 325309996 /nfs/dbraw/zinc/30/99/96/325309996.db2.gz ARLQHSDMCDHYQD-UHFFFAOYSA-N 1 2 212.362 2.508 20 30 BFEDLO CCc1cccc2c1OCC[C@H]2[NH2+]CCC#N ZINC000566110942 325996955 /nfs/dbraw/zinc/99/69/55/325996955.db2.gz UMEKIIULXYMCEU-CYBMUJFWSA-N 1 2 230.311 2.576 20 30 BFEDLO C[N@H+](Cc1ccc(Cl)o1)CC(C)(C)C#N ZINC000354033822 488030192 /nfs/dbraw/zinc/03/01/92/488030192.db2.gz BGAYVADOYDUZFZ-UHFFFAOYSA-N 1 2 226.707 2.915 20 30 BFEDLO C[N@@H+](Cc1ccc(Cl)o1)CC(C)(C)C#N ZINC000354033822 488030199 /nfs/dbraw/zinc/03/01/99/488030199.db2.gz BGAYVADOYDUZFZ-UHFFFAOYSA-N 1 2 226.707 2.915 20 30 BFEDLO C=CC[N@@H+](Cc1cn(C)cn1)Cc1ccccc1 ZINC000683897278 488235624 /nfs/dbraw/zinc/23/56/24/488235624.db2.gz WPLWIFPARBCGLH-UHFFFAOYSA-N 1 2 241.338 2.608 20 30 BFEDLO C=CC[N@H+](Cc1cn(C)cn1)Cc1ccccc1 ZINC000683897278 488235628 /nfs/dbraw/zinc/23/56/28/488235628.db2.gz WPLWIFPARBCGLH-UHFFFAOYSA-N 1 2 241.338 2.608 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000283151309 490362143 /nfs/dbraw/zinc/36/21/43/490362143.db2.gz YPISXHKEKMAVNR-VXGBXAGGSA-N 1 2 249.358 2.825 20 30 BFEDLO C=CC[C@@H](CC)Nc1cc(CC)[nH+]cn1 ZINC000308963358 491141384 /nfs/dbraw/zinc/14/13/84/491141384.db2.gz STPHEUXZWWJLMC-SNVBAGLBSA-N 1 2 205.305 2.806 20 30 BFEDLO C=C1CC[NH+](Cc2c(Cl)c(C)nn2C)CC1 ZINC000891943408 582741993 /nfs/dbraw/zinc/74/19/93/582741993.db2.gz QXWSQVZSVNBPCQ-UHFFFAOYSA-N 1 2 239.750 2.534 20 30 BFEDLO C=C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000265370531 534467319 /nfs/dbraw/zinc/46/73/19/534467319.db2.gz OIWLHIWMBWEFMT-UHFFFAOYSA-N 1 2 229.327 2.819 20 30 BFEDLO C=CCCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000339275542 534627355 /nfs/dbraw/zinc/62/73/55/534627355.db2.gz YLSPIQGMDVKEIE-UHFFFAOYSA-N 1 2 229.283 2.547 20 30 BFEDLO C=CCCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302841221 534694444 /nfs/dbraw/zinc/69/44/44/534694444.db2.gz LZZTYFDTKZCWJL-UHFFFAOYSA-N 1 2 246.358 2.845 20 30 BFEDLO C=CCCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302841221 534694450 /nfs/dbraw/zinc/69/44/50/534694450.db2.gz LZZTYFDTKZCWJL-UHFFFAOYSA-N 1 2 246.358 2.845 20 30 BFEDLO C=CCCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000351935558 534728934 /nfs/dbraw/zinc/72/89/34/534728934.db2.gz HUTGDBQECNYXMQ-UHFFFAOYSA-N 1 2 233.315 2.786 20 30 BFEDLO C=CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052247948 534849673 /nfs/dbraw/zinc/84/96/73/534849673.db2.gz FXXGFZMRXVUWTN-CYBMUJFWSA-N 1 2 237.730 2.899 20 30 BFEDLO C=CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052247948 534849675 /nfs/dbraw/zinc/84/96/75/534849675.db2.gz FXXGFZMRXVUWTN-CYBMUJFWSA-N 1 2 237.730 2.899 20 30 BFEDLO C=CCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000341797242 534882510 /nfs/dbraw/zinc/88/25/10/534882510.db2.gz CCACXASDLUREML-CYBMUJFWSA-N 1 2 244.338 2.843 20 30 BFEDLO C=CCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000341797242 534882512 /nfs/dbraw/zinc/88/25/12/534882512.db2.gz CCACXASDLUREML-CYBMUJFWSA-N 1 2 244.338 2.843 20 30 BFEDLO C#CC[N@H+](CCC#N)[C@H]1CCc2ccccc21 ZINC000490763511 526899686 /nfs/dbraw/zinc/89/96/86/526899686.db2.gz SXBZKKJUVNJIAE-HNNXBMFYSA-N 1 2 224.307 2.523 20 30 BFEDLO C#CC[N@@H+](CCC#N)[C@H]1CCc2ccccc21 ZINC000490763511 526899690 /nfs/dbraw/zinc/89/96/90/526899690.db2.gz SXBZKKJUVNJIAE-HNNXBMFYSA-N 1 2 224.307 2.523 20 30 BFEDLO CCCCCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000266939043 534981284 /nfs/dbraw/zinc/98/12/84/534981284.db2.gz ALKSWIWQARNCJC-UHFFFAOYSA-N 1 2 237.347 2.695 20 30 BFEDLO CCOc1ccccc1C[NH2+][C@H](CC)CC#N ZINC000054182263 535512474 /nfs/dbraw/zinc/51/24/74/535512474.db2.gz ZCXSQWVGISNWPQ-CYBMUJFWSA-N 1 2 232.327 2.867 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)ccc1F ZINC000054183376 536055305 /nfs/dbraw/zinc/05/53/05/536055305.db2.gz XLFDNTSVWJEXML-LLVKDONJSA-N 1 2 224.254 2.747 20 30 BFEDLO C[N@@H+](CCC#N)CCOc1ccccc1Cl ZINC000052711169 536298691 /nfs/dbraw/zinc/29/86/91/536298691.db2.gz GIVZCHKVWWJOSH-UHFFFAOYSA-N 1 2 238.718 2.564 20 30 BFEDLO C[N@H+](CCC#N)CCOc1ccccc1Cl ZINC000052711169 536298693 /nfs/dbraw/zinc/29/86/93/536298693.db2.gz GIVZCHKVWWJOSH-UHFFFAOYSA-N 1 2 238.718 2.564 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N1CCC[C@@H]1C ZINC000853394351 588740796 /nfs/dbraw/zinc/74/07/96/588740796.db2.gz MRTZFBYHJQZZMF-ZDUSSCGKSA-N 1 2 244.338 2.863 20 30 BFEDLO CC[N@H+](Cc1cc(C)cc(C)c1O)[C@@H](C)C#N ZINC000853578642 588749685 /nfs/dbraw/zinc/74/96/85/588749685.db2.gz NXCBSRYDALVNST-LBPRGKRZSA-N 1 2 232.327 2.743 20 30 BFEDLO CC[N@@H+](Cc1cc(C)cc(C)c1O)[C@@H](C)C#N ZINC000853578642 588749686 /nfs/dbraw/zinc/74/96/86/588749686.db2.gz NXCBSRYDALVNST-LBPRGKRZSA-N 1 2 232.327 2.743 20 30 BFEDLO C#CC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000139486568 582486991 /nfs/dbraw/zinc/48/69/91/582486991.db2.gz ZYEYCSDTKAOEKI-UHFFFAOYSA-N 1 2 239.240 2.697 20 30 BFEDLO C#CC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000139486568 582486994 /nfs/dbraw/zinc/48/69/94/582486994.db2.gz ZYEYCSDTKAOEKI-UHFFFAOYSA-N 1 2 239.240 2.697 20 30 BFEDLO Cc1ccc2[nH+]cc(C=NOC3CCC3)n2c1 ZINC000812237652 582498550 /nfs/dbraw/zinc/49/85/50/582498550.db2.gz AWMWCCFZSQVSQD-UHFFFAOYSA-N 1 2 229.283 2.546 20 30 BFEDLO C=CC(C)(C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000891266949 582646316 /nfs/dbraw/zinc/64/63/16/582646316.db2.gz KTYYWXLGXWWYDN-GFCCVEGCSA-N 1 2 249.358 2.551 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)C)cnc1F ZINC000891465739 582690859 /nfs/dbraw/zinc/69/08/59/582690859.db2.gz WAELTYJSMUSUOD-UHFFFAOYSA-N 1 2 249.333 2.901 20 30 BFEDLO Cc1cc(C[N@H+](CCC#N)CC(C)C)cnc1F ZINC000891465739 582690861 /nfs/dbraw/zinc/69/08/61/582690861.db2.gz WAELTYJSMUSUOD-UHFFFAOYSA-N 1 2 249.333 2.901 20 30 BFEDLO CC[N@H+](CCC#N)Cc1nccc2c1CCCC2 ZINC000891578365 582698674 /nfs/dbraw/zinc/69/86/74/582698674.db2.gz LIXFXCUBJBFUSM-UHFFFAOYSA-N 1 2 243.354 2.696 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1nccc2c1CCCC2 ZINC000891578365 582698676 /nfs/dbraw/zinc/69/86/76/582698676.db2.gz LIXFXCUBJBFUSM-UHFFFAOYSA-N 1 2 243.354 2.696 20 30 BFEDLO CCN(CC#N)Cc1cc(C)[nH+]c2c1CCCC2 ZINC000891777450 582719521 /nfs/dbraw/zinc/71/95/21/582719521.db2.gz BLROIQBPZCTWOQ-UHFFFAOYSA-N 1 2 243.354 2.614 20 30 BFEDLO C=C1CC[NH+](Cc2c(Cl)n[nH]c2CC)CC1 ZINC000891943063 582741737 /nfs/dbraw/zinc/74/17/37/582741737.db2.gz MQOWCOMVNMLREH-UHFFFAOYSA-N 1 2 239.750 2.778 20 30 BFEDLO C=CCCCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856287554 588867358 /nfs/dbraw/zinc/86/73/58/588867358.db2.gz DXCAPNIUCFBJCG-UHFFFAOYSA-N 1 2 243.310 2.938 20 30 BFEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC000852100581 583001176 /nfs/dbraw/zinc/00/11/76/583001176.db2.gz YJGGYGBTUZHNCP-GXFFZTMASA-N 1 2 235.331 2.646 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000893552086 583162643 /nfs/dbraw/zinc/16/26/43/583162643.db2.gz PJGJZKFKWRJEFI-UHFFFAOYSA-N 1 2 238.718 2.685 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)C/C=C/c1cccc(F)c1 ZINC000893995130 583267698 /nfs/dbraw/zinc/26/76/98/583267698.db2.gz MQUILAOAVLBNSP-FVOPLDGLSA-N 1 2 232.302 2.930 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC000893995130 583267699 /nfs/dbraw/zinc/26/76/99/583267699.db2.gz MQUILAOAVLBNSP-FVOPLDGLSA-N 1 2 232.302 2.930 20 30 BFEDLO CSc1ccc(C[N@H+](C)[C@@H](C)CC#N)o1 ZINC000894002554 583272031 /nfs/dbraw/zinc/27/20/31/583272031.db2.gz RQOCVUYJUGRINW-VIFPVBQESA-N 1 2 224.329 2.735 20 30 BFEDLO CSc1ccc(C[N@@H+](C)[C@@H](C)CC#N)o1 ZINC000894002554 583272033 /nfs/dbraw/zinc/27/20/33/583272033.db2.gz RQOCVUYJUGRINW-VIFPVBQESA-N 1 2 224.329 2.735 20 30 BFEDLO C=C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894005490 583273510 /nfs/dbraw/zinc/27/35/10/583273510.db2.gz HTGJAUYVUUXNGC-UHFFFAOYSA-N 1 2 239.265 2.822 20 30 BFEDLO C=C(C)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000894052361 583289480 /nfs/dbraw/zinc/28/94/80/583289480.db2.gz AYSPFGHCMHQCDY-SNVBAGLBSA-N 1 2 206.289 2.513 20 30 BFEDLO Cc1oc(C(C)(C)C)cc1C[NH2+]CCC#N ZINC000894082142 583294535 /nfs/dbraw/zinc/29/45/35/583294535.db2.gz TWJUISGAKAFYCN-UHFFFAOYSA-N 1 2 220.316 2.889 20 30 BFEDLO CCc1cc(NCC(C)(C)CC#N)nc(CC)[nH+]1 ZINC000894159141 583320920 /nfs/dbraw/zinc/32/09/20/583320920.db2.gz LNMYDTGFAMPLIJ-UHFFFAOYSA-N 1 2 246.358 2.953 20 30 BFEDLO CC(C)c1c[nH]c(CN2CCC[C@@](C)(C#N)C2)[nH+]1 ZINC000894444489 583460943 /nfs/dbraw/zinc/46/09/43/583460943.db2.gz KERDRQIDGLCERE-AWEZNQCLSA-N 1 2 246.358 2.659 20 30 BFEDLO C=C1CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000894535997 583479488 /nfs/dbraw/zinc/47/94/88/583479488.db2.gz PKIOGOPRGQHSPQ-UHFFFAOYSA-N 1 2 227.311 2.608 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)cc1C ZINC000894586275 583488930 /nfs/dbraw/zinc/48/89/30/583488930.db2.gz ZXYBWUKEPOXJLO-UHFFFAOYSA-N 1 2 244.338 2.905 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)cc1C ZINC000894586275 583488932 /nfs/dbraw/zinc/48/89/32/583488932.db2.gz ZXYBWUKEPOXJLO-UHFFFAOYSA-N 1 2 244.338 2.905 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cccc([C@@H](C)O)[nH+]1 ZINC000894609932 583491908 /nfs/dbraw/zinc/49/19/08/583491908.db2.gz HJOYCOQAUYDHAJ-UPJWGTAASA-N 1 2 244.338 2.822 20 30 BFEDLO CC(C)CON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000749637005 583596058 /nfs/dbraw/zinc/59/60/58/583596058.db2.gz VRTZHFIMPXSTJA-UHFFFAOYSA-N 1 2 243.310 2.879 20 30 BFEDLO CC(C)c1c[nH]c(C[NH2+]CC2(C#N)CCCC2)n1 ZINC000895133176 583601395 /nfs/dbraw/zinc/60/13/95/583601395.db2.gz DHUOADKBZPOJSR-UHFFFAOYSA-N 1 2 246.358 2.707 20 30 BFEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cn2)CCCC1 ZINC000895133728 583601667 /nfs/dbraw/zinc/60/16/67/583601667.db2.gz OJKCNXVEZVGSGO-UHFFFAOYSA-N 1 2 249.745 2.909 20 30 BFEDLO C=C(C)C[C@H]([NH2+]C1CC(C)(C)C1)C(=O)OCC ZINC000895596715 583695607 /nfs/dbraw/zinc/69/56/07/583695607.db2.gz AADMWGGZIGZVLO-LBPRGKRZSA-N 1 2 239.359 2.663 20 30 BFEDLO CC/C=C/C/[NH+]=C\c1cccc(OC)c1O ZINC000840707423 583848762 /nfs/dbraw/zinc/84/87/62/583848762.db2.gz PCUIVAGYWYEHRU-IBXIYJDRSA-N 1 2 219.284 2.786 20 30 BFEDLO CCOc1cccc(/C=[NH+]\CC[C@H](C)F)c1O ZINC000840708004 583850521 /nfs/dbraw/zinc/85/05/21/583850521.db2.gz ZJCNXRPCBDGCAI-QNKACBJSSA-N 1 2 239.290 2.958 20 30 BFEDLO Oc1cccc(/C=[NH+]\C[C@@H]2C[C@H]2C2CC2)c1O ZINC000840711130 583877743 /nfs/dbraw/zinc/87/77/43/583877743.db2.gz VLKKJUKPGBUCQQ-QLTPJQJZSA-N 1 2 231.295 2.563 20 30 BFEDLO O=C1c2cc(F)cc(F)c2C/C1=C\c1[nH]cc[nH+]1 ZINC000751536487 583915174 /nfs/dbraw/zinc/91/51/74/583915174.db2.gz RCYMLQCFAHDUBX-QPJJXVBHSA-N 1 2 246.216 2.510 20 30 BFEDLO C[C@@H]1CCC[C@@H]1/[NH+]=C/c1cccc(O)c1O ZINC000729641586 584020669 /nfs/dbraw/zinc/02/06/69/584020669.db2.gz OPPXFHZIKKVFAB-LDMMBYSASA-N 1 2 219.284 2.705 20 30 BFEDLO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@](C)(C#N)C1 ZINC000897585193 584021772 /nfs/dbraw/zinc/02/17/72/584021772.db2.gz RPMWUABBSQTGHP-SOUVJXGZSA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@](C)(C#N)C1 ZINC000897585193 584021775 /nfs/dbraw/zinc/02/17/75/584021775.db2.gz RPMWUABBSQTGHP-SOUVJXGZSA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCO[C@@](C)(C#N)C2)C1 ZINC000897584889 584021846 /nfs/dbraw/zinc/02/18/46/584021846.db2.gz MIAYJYXROZUGBU-CFVMTHIKSA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCO[C@@](C)(C#N)C2)C1 ZINC000897584889 584021847 /nfs/dbraw/zinc/02/18/47/584021847.db2.gz MIAYJYXROZUGBU-CFVMTHIKSA-N 1 2 248.370 2.593 20 30 BFEDLO CCn1c[nH+]c(/C=C/C(=O)c2scnc2C)c1 ZINC000899347233 584199196 /nfs/dbraw/zinc/19/91/96/584199196.db2.gz NLKGANKZXJSNGC-SNAWJCMRSA-N 1 2 247.323 2.564 20 30 BFEDLO Cc1cc(C(=O)C=Cc2[nH]cc(C(C)C)[nH+]2)no1 ZINC000901503839 584454713 /nfs/dbraw/zinc/45/47/13/584454713.db2.gz WWMMBELJOOCXEK-SNAWJCMRSA-N 1 2 245.282 2.726 20 30 BFEDLO N#CC1(C[NH2+][C@H]2CCCc3scnc32)CCC1 ZINC000903035590 584719022 /nfs/dbraw/zinc/71/90/22/584719022.db2.gz RQTMGHIWACLJDJ-JTQLQIEISA-N 1 2 247.367 2.804 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(O)c1F ZINC000903035464 584719176 /nfs/dbraw/zinc/71/91/76/584719176.db2.gz PZJWAPHFGJPKBH-SNVBAGLBSA-N 1 2 248.301 2.876 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1c(O)cccc1F ZINC000903101799 584727294 /nfs/dbraw/zinc/72/72/94/584727294.db2.gz MSDUYFTVRWJXMV-SECBINFHSA-N 1 2 236.290 2.732 20 30 BFEDLO N#CC1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000903106450 584728685 /nfs/dbraw/zinc/72/86/85/584728685.db2.gz QNVTXGAYHONIKF-LBPRGKRZSA-N 1 2 248.276 2.845 20 30 BFEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnc(F)c1 ZINC000859155177 589010965 /nfs/dbraw/zinc/01/09/65/589010965.db2.gz PUHAFPCAJLLLRY-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnc(F)c1 ZINC000859155177 589010967 /nfs/dbraw/zinc/01/09/67/589010967.db2.gz PUHAFPCAJLLLRY-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO C=C1CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000731103830 584922106 /nfs/dbraw/zinc/92/21/06/584922106.db2.gz KAIJVQVPDIPYJU-UHFFFAOYSA-N 1 2 235.331 2.519 20 30 BFEDLO COc1cc(C)ccc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731157105 584922995 /nfs/dbraw/zinc/92/29/95/584922995.db2.gz RGLIVQNPGOZQBE-AATRIKPKSA-N 1 2 242.278 2.623 20 30 BFEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1[nH]cc[nH+]1)C2 ZINC000731159852 584923107 /nfs/dbraw/zinc/92/31/07/584923107.db2.gz YEFMNCOKDGTIRO-DHZHZOJOSA-N 1 2 224.263 2.541 20 30 BFEDLO CC#CC[N@@H+](C)Cc1nc2ccccc2n1CC ZINC000746458533 585168238 /nfs/dbraw/zinc/16/82/38/585168238.db2.gz PKNKCRZBPGGITE-UHFFFAOYSA-N 1 2 241.338 2.511 20 30 BFEDLO CC#CC[N@H+](C)Cc1nc2ccccc2n1CC ZINC000746458533 585168239 /nfs/dbraw/zinc/16/82/39/585168239.db2.gz PKNKCRZBPGGITE-UHFFFAOYSA-N 1 2 241.338 2.511 20 30 BFEDLO C=CCCCCC[N@@H+](C)Cn1ccsc1=O ZINC000746614482 585170667 /nfs/dbraw/zinc/17/06/67/585170667.db2.gz LYIXGWHEAUGSEZ-UHFFFAOYSA-N 1 2 240.372 2.546 20 30 BFEDLO C=CCCCCC[N@H+](C)Cn1ccsc1=O ZINC000746614482 585170668 /nfs/dbraw/zinc/17/06/68/585170668.db2.gz LYIXGWHEAUGSEZ-UHFFFAOYSA-N 1 2 240.372 2.546 20 30 BFEDLO C=C(Cl)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000749409462 585202129 /nfs/dbraw/zinc/20/21/29/585202129.db2.gz NNBJCIFJHSAIDJ-UHFFFAOYSA-N 1 2 247.729 2.715 20 30 BFEDLO C[C@@H](Cc1ccncc1)/[NH+]=C/c1ccccc1O ZINC000749844513 585207172 /nfs/dbraw/zinc/20/71/72/585207172.db2.gz KQNOZBXDJNWYPP-OOIIIRTPSA-N 1 2 240.306 2.837 20 30 BFEDLO C=CCCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749993498 585209435 /nfs/dbraw/zinc/20/94/35/585209435.db2.gz DSPFPVFOLVCMHY-UHFFFAOYSA-N 1 2 247.342 2.751 20 30 BFEDLO CC1(C/[NH+]=C/c2cccc(O)c2O)CCC1 ZINC000751891041 585238605 /nfs/dbraw/zinc/23/86/05/585238605.db2.gz SMKXEFUOFXGUDI-RIYZIHGNSA-N 1 2 219.284 2.707 20 30 BFEDLO CO[C@@H]1C[C@@H](/[NH+]=C\c2ccccc2O)C1(C)C ZINC000753140146 585254464 /nfs/dbraw/zinc/25/44/64/585254464.db2.gz YRJDGRYUNXVEEU-CJJNDWFMSA-N 1 2 233.311 2.625 20 30 BFEDLO C=C(Cl)C[N@@H+](CC)Cc1ccncc1 ZINC000754048513 585276306 /nfs/dbraw/zinc/27/63/06/585276306.db2.gz BTWKXNRLHKCOBA-UHFFFAOYSA-N 1 2 210.708 2.656 20 30 BFEDLO C=C(Cl)C[N@H+](CC)Cc1ccncc1 ZINC000754048513 585276307 /nfs/dbraw/zinc/27/63/07/585276307.db2.gz BTWKXNRLHKCOBA-UHFFFAOYSA-N 1 2 210.708 2.656 20 30 BFEDLO CCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000754277371 585281822 /nfs/dbraw/zinc/28/18/22/585281822.db2.gz ZNWQWWCBMJKWML-UHFFFAOYSA-N 1 2 226.707 2.777 20 30 BFEDLO CCCNN=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000755651357 585303451 /nfs/dbraw/zinc/30/34/51/585303451.db2.gz JMSGSKRTZHMMJD-UHFFFAOYSA-N 1 2 242.326 2.514 20 30 BFEDLO C[C@@H]([NH2+]CCCC#N)c1cc(F)cc(F)c1O ZINC000757653853 585343720 /nfs/dbraw/zinc/34/37/20/585343720.db2.gz JYEKTVYYYXYUGY-MRVPVSSYSA-N 1 2 240.253 2.625 20 30 BFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCF ZINC000759346936 585370129 /nfs/dbraw/zinc/37/01/29/585370129.db2.gz LDNJGGJTCLPCNH-KGLIPLIRSA-N 1 2 232.302 2.728 20 30 BFEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCF ZINC000759346936 585370130 /nfs/dbraw/zinc/37/01/30/585370130.db2.gz LDNJGGJTCLPCNH-KGLIPLIRSA-N 1 2 232.302 2.728 20 30 BFEDLO CCN(CC)c1ccc(C[N@H+](C)CCC#N)cc1 ZINC000759643654 585377864 /nfs/dbraw/zinc/37/78/64/585377864.db2.gz OFGGZLVRVJXBSK-UHFFFAOYSA-N 1 2 245.370 2.878 20 30 BFEDLO CCN(CC)c1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000759643654 585377865 /nfs/dbraw/zinc/37/78/65/585377865.db2.gz OFGGZLVRVJXBSK-UHFFFAOYSA-N 1 2 245.370 2.878 20 30 BFEDLO O=C1c2cc(Cl)ccc2C/C1=C/c1[nH]cc[nH+]1 ZINC000762445910 585432234 /nfs/dbraw/zinc/43/22/34/585432234.db2.gz APOUXNNASSYNII-TWGQIWQCSA-N 1 2 244.681 2.886 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(C#N)o1 ZINC000768153369 585533320 /nfs/dbraw/zinc/53/33/20/585533320.db2.gz FFXFLGDWRGGHPW-UHFFFAOYSA-N 1 2 231.299 2.523 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(C#N)o1 ZINC000768153369 585533321 /nfs/dbraw/zinc/53/33/21/585533321.db2.gz FFXFLGDWRGGHPW-UHFFFAOYSA-N 1 2 231.299 2.523 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cncc2ccccc21 ZINC000768877491 585545416 /nfs/dbraw/zinc/54/54/16/585545416.db2.gz LYYGGTSWJIWKMV-LBPRGKRZSA-N 1 2 239.322 2.826 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cncc2ccccc21 ZINC000768877491 585545417 /nfs/dbraw/zinc/54/54/17/585545417.db2.gz LYYGGTSWJIWKMV-LBPRGKRZSA-N 1 2 239.322 2.826 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(F)ccc1Cl ZINC000769962130 585567614 /nfs/dbraw/zinc/56/76/14/585567614.db2.gz BLGRQTGGJKYXJC-SECBINFHSA-N 1 2 225.694 2.933 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000769962130 585567615 /nfs/dbraw/zinc/56/76/15/585567615.db2.gz BLGRQTGGJKYXJC-SECBINFHSA-N 1 2 225.694 2.933 20 30 BFEDLO CCCCCCCC(=O)OCCn1cc[nH+]c1 ZINC000771919073 585604278 /nfs/dbraw/zinc/60/42/78/585604278.db2.gz RNLLYHZZPDZZTI-UHFFFAOYSA-N 1 2 238.331 2.787 20 30 BFEDLO C=CC[N@@H+](Cc1ncc(C(C)C)o1)C1CC1 ZINC000772381872 585614052 /nfs/dbraw/zinc/61/40/52/585614052.db2.gz NVZAXQGOASZJCW-UHFFFAOYSA-N 1 2 220.316 2.948 20 30 BFEDLO C=CC[N@H+](Cc1ncc(C(C)C)o1)C1CC1 ZINC000772381872 585614053 /nfs/dbraw/zinc/61/40/53/585614053.db2.gz NVZAXQGOASZJCW-UHFFFAOYSA-N 1 2 220.316 2.948 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NN[C@@H]1CCCCC1(C)C ZINC000773124215 585631883 /nfs/dbraw/zinc/63/18/83/585631883.db2.gz JHCOVWFTSLTXDD-GFCCVEGCSA-N 1 2 234.347 2.610 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000773177062 585633141 /nfs/dbraw/zinc/63/31/41/585633141.db2.gz GQZOYIRKZRJVPO-NSHDSACASA-N 1 2 228.336 2.512 20 30 BFEDLO C#CC[C@@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000775399545 585677463 /nfs/dbraw/zinc/67/74/63/585677463.db2.gz SLSGYCATDZJAPN-CQSZACIVSA-N 1 2 226.279 2.529 20 30 BFEDLO C#CC[C@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000775399544 585677482 /nfs/dbraw/zinc/67/74/82/585677482.db2.gz SLSGYCATDZJAPN-AWEZNQCLSA-N 1 2 226.279 2.529 20 30 BFEDLO CO[C@@H]1[C@H](C)[C@H](/[NH+]=C\c2ccccc2O)C1(C)C ZINC000775632134 585682058 /nfs/dbraw/zinc/68/20/58/585682058.db2.gz WEAHTIKBTNPTDP-IHXZHGFCSA-N 1 2 247.338 2.871 20 30 BFEDLO Cc1cc[nH+]cc1CCCN=Nc1ccccn1 ZINC000776724529 585703594 /nfs/dbraw/zinc/70/35/94/585703594.db2.gz XUDAFACKAKGHDW-UHFFFAOYSA-N 1 2 240.310 2.816 20 30 BFEDLO C=C(CC)COC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780090690 585772470 /nfs/dbraw/zinc/77/24/70/585772470.db2.gz CLVILYURMXBCQR-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO C#CCCNc1cc[nH+]c2c(OC)cccc12 ZINC000780545555 585780293 /nfs/dbraw/zinc/78/02/93/585780293.db2.gz GNNQOXPXJLYNMK-UHFFFAOYSA-N 1 2 226.279 2.679 20 30 BFEDLO CC(C)(C)CCNN=Cc1cccc2[nH+]ccn21 ZINC000782908515 585826175 /nfs/dbraw/zinc/82/61/75/585826175.db2.gz VEXDHTXRGOWSQE-UHFFFAOYSA-N 1 2 244.342 2.694 20 30 BFEDLO CC(C)(C)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000783555037 585836710 /nfs/dbraw/zinc/83/67/10/585836710.db2.gz LUKLSFSPTLAGFB-UHFFFAOYSA-N 1 2 238.306 2.899 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C#N)cc1F ZINC000784577412 585863699 /nfs/dbraw/zinc/86/36/99/585863699.db2.gz ZLZPIXPCSZONGE-JTQLQIEISA-N 1 2 243.285 2.652 20 30 BFEDLO Cc1nc(F)ccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000787270575 585904203 /nfs/dbraw/zinc/90/42/03/585904203.db2.gz JMCVKWQZGKQWBE-AWEZNQCLSA-N 1 2 247.317 2.655 20 30 BFEDLO Cc1nc(F)ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000787270575 585904204 /nfs/dbraw/zinc/90/42/04/585904204.db2.gz JMCVKWQZGKQWBE-AWEZNQCLSA-N 1 2 247.317 2.655 20 30 BFEDLO CCC(O)(CC)CC/[NH+]=C\c1ccccc1O ZINC000788284028 585920813 /nfs/dbraw/zinc/92/08/13/585920813.db2.gz AJEYUZHKAKNPOG-PTNGSMBKSA-N 1 2 235.327 2.752 20 30 BFEDLO CC(C)=CCC/[NH+]=C\c1cccc(O)c1O ZINC000790100237 585958298 /nfs/dbraw/zinc/95/82/98/585958298.db2.gz GNNJHFKVBQGSHK-ZROIWOOFSA-N 1 2 219.284 2.873 20 30 BFEDLO Cn1c[nH+]cc1C=NN1CCC(C(C)(C)C)CC1 ZINC000790178765 585959468 /nfs/dbraw/zinc/95/94/68/585959468.db2.gz KJWUCEPUAXZBBQ-UHFFFAOYSA-N 1 2 248.374 2.512 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1cscc1Cl ZINC000790300226 585962554 /nfs/dbraw/zinc/96/25/54/585962554.db2.gz PHRKZYAGYRJFBX-UHFFFAOYSA-N 1 2 240.719 2.581 20 30 BFEDLO CCC(=NNc1[nH+]ccn1C)c1cccc(F)c1 ZINC000790299630 585962588 /nfs/dbraw/zinc/96/25/88/585962588.db2.gz GNJLMXQKHMMDLQ-UHFFFAOYSA-N 1 2 246.289 2.785 20 30 BFEDLO Cc1cc(C=NNc2[nH+]ccn2C)c(C)s1 ZINC000790300477 585962764 /nfs/dbraw/zinc/96/27/64/585962764.db2.gz YYVWEQUMHRTXLM-UHFFFAOYSA-N 1 2 234.328 2.544 20 30 BFEDLO CC(=NNc1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000790299728 585962811 /nfs/dbraw/zinc/96/28/11/585962811.db2.gz ILELULPYKZTRSD-UHFFFAOYSA-N 1 2 248.717 2.910 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1ccc(Cl)s1 ZINC000790300070 585962854 /nfs/dbraw/zinc/96/28/54/585962854.db2.gz PARIKARGCASQGK-UHFFFAOYSA-N 1 2 240.719 2.581 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC000859282285 589028076 /nfs/dbraw/zinc/02/80/76/589028076.db2.gz AJZYHBVNOIJIHU-NSHDSACASA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC000859282285 589028078 /nfs/dbraw/zinc/02/80/78/589028078.db2.gz AJZYHBVNOIJIHU-NSHDSACASA-N 1 2 239.750 2.614 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000795221943 586072365 /nfs/dbraw/zinc/07/23/65/586072365.db2.gz JPHCELDNBRSXRU-UHFFFAOYSA-N 1 2 236.290 2.833 20 30 BFEDLO C[C@@H]1CCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000798343955 586142883 /nfs/dbraw/zinc/14/28/83/586142883.db2.gz VKAZJLJUSDWFKF-JDTFSJQSSA-N 1 2 233.311 2.953 20 30 BFEDLO CCc1cccc(C)c1NN=Cc1c[nH+]cn1C ZINC000799493585 586181365 /nfs/dbraw/zinc/18/13/65/586181365.db2.gz IBJRWGIBPJWPBF-UHFFFAOYSA-N 1 2 242.326 2.737 20 30 BFEDLO Cc1cc(C)c(C(=O)/C=C/c2[nH]cc[nH+]2)c(O)c1 ZINC000799894842 586201627 /nfs/dbraw/zinc/20/16/27/586201627.db2.gz GTLCXUJXHQKSPD-ONEGZZNKSA-N 1 2 242.278 2.628 20 30 BFEDLO Cc1ccccc1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000800792276 586228450 /nfs/dbraw/zinc/22/84/50/586228450.db2.gz PVBVTSLMKXRPRS-BQYQJAHWSA-N 1 2 226.279 2.625 20 30 BFEDLO Cn1c[nH+]c(/C=C/C(=O)c2cccc(F)c2F)c1 ZINC000800794475 586229375 /nfs/dbraw/zinc/22/93/75/586229375.db2.gz HOZMUAQDAHMKBD-AATRIKPKSA-N 1 2 248.232 2.594 20 30 BFEDLO COc1cc[nH+]cc1CON=Cc1cccs1 ZINC000808244963 586469014 /nfs/dbraw/zinc/46/90/14/586469014.db2.gz QVZHHUAAJLHDIW-UHFFFAOYSA-N 1 2 248.307 2.702 20 30 BFEDLO C#Cc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000809780091 586519367 /nfs/dbraw/zinc/51/93/67/586519367.db2.gz KTBMSAPCLWTGGR-ZDUSSCGKSA-N 1 2 235.277 2.945 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CCCc1nccs1 ZINC000811625015 586562046 /nfs/dbraw/zinc/56/20/46/586562046.db2.gz ALHZKDIIIJCGBV-GXDHUFHOSA-N 1 2 246.335 2.900 20 30 BFEDLO C=C(C)CN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000811649891 586562915 /nfs/dbraw/zinc/56/29/15/586562915.db2.gz BHHGUWDBRVRQDW-UHFFFAOYSA-N 1 2 247.342 2.770 20 30 BFEDLO O=C1c2c(cccc2Cl)O/C1=C/c1[nH]cc[nH+]1 ZINC000811697368 586565801 /nfs/dbraw/zinc/56/58/01/586565801.db2.gz CWVFBHOZFUZKBH-RMKNXTFCSA-N 1 2 246.653 2.679 20 30 BFEDLO CO[C@@H](C/[NH+]=C\c1ccccc1O)CC(C)C ZINC000841482702 586606414 /nfs/dbraw/zinc/60/64/14/586606414.db2.gz UUQVHSMZDHWAMQ-MLJKTZRHSA-N 1 2 235.327 2.872 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1cc(C)ccc1O ZINC000814170755 586615524 /nfs/dbraw/zinc/61/55/24/586615524.db2.gz CTCUOUCAQXMWAW-UHFFFAOYSA-N 1 2 230.311 2.602 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1cc(C)ccc1O ZINC000814170755 586615525 /nfs/dbraw/zinc/61/55/25/586615525.db2.gz CTCUOUCAQXMWAW-UHFFFAOYSA-N 1 2 230.311 2.602 20 30 BFEDLO CC(=NO[C@H]1CCCCO1)c1ccc(C)[nH+]c1C ZINC000814887223 586642973 /nfs/dbraw/zinc/64/29/73/586642973.db2.gz JTQKTYSXWLHJKI-AWEZNQCLSA-N 1 2 248.326 2.966 20 30 BFEDLO CCCCCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000816652316 586752801 /nfs/dbraw/zinc/75/28/01/586752801.db2.gz GWWUILYLUSCMIS-UHFFFAOYSA-N 1 2 249.358 2.655 20 30 BFEDLO CCCCCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000816652316 586752802 /nfs/dbraw/zinc/75/28/02/586752802.db2.gz GWWUILYLUSCMIS-UHFFFAOYSA-N 1 2 249.358 2.655 20 30 BFEDLO CCOc1ccc(/C=[NH+]\[C@H]2CC23CC3)c(O)c1 ZINC000818993152 586920873 /nfs/dbraw/zinc/92/08/73/586920873.db2.gz XKGKVSIVCHOYSJ-GRRFOWRYSA-N 1 2 231.295 2.762 20 30 BFEDLO Cc1ccnc(N=NCc2c[nH+]cn2C(C)C)c1 ZINC000819807517 586996141 /nfs/dbraw/zinc/99/61/41/586996141.db2.gz BYXNVEJJBOFFNM-UHFFFAOYSA-N 1 2 243.314 2.613 20 30 BFEDLO CC(C)n1c[nH+]cc1C=NNCC1(C)CCCC1 ZINC000819813677 586998072 /nfs/dbraw/zinc/99/80/72/586998072.db2.gz RJQGPABEKQSHAZ-UHFFFAOYSA-N 1 2 248.374 2.968 20 30 BFEDLO C=C(Cl)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000860106027 589080443 /nfs/dbraw/zinc/08/04/43/589080443.db2.gz VOLYLSDOGOVUPF-UHFFFAOYSA-N 1 2 246.741 2.863 20 30 BFEDLO C=C(Cl)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000860106027 589080444 /nfs/dbraw/zinc/08/04/44/589080444.db2.gz VOLYLSDOGOVUPF-UHFFFAOYSA-N 1 2 246.741 2.863 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NCC1CC1 ZINC000820615010 587059283 /nfs/dbraw/zinc/05/92/83/587059283.db2.gz CDVOZFOOIZAPRR-UHFFFAOYSA-N 1 2 230.311 2.696 20 30 BFEDLO C=CC(C)(C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000821428254 587119085 /nfs/dbraw/zinc/11/90/85/587119085.db2.gz GTMSIUFLWSKGJV-UHFFFAOYSA-N 1 2 243.310 2.505 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnc(Cl)c1F ZINC000824171997 587259331 /nfs/dbraw/zinc/25/93/31/587259331.db2.gz JRANYGKEJPUVDN-VIFPVBQESA-N 1 2 241.697 2.656 20 30 BFEDLO C#CC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000826578457 587355622 /nfs/dbraw/zinc/35/56/22/587355622.db2.gz DEBOXRBTWUUEGI-CQSZACIVSA-N 1 2 243.354 2.642 20 30 BFEDLO C#CC[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000826585942 587355860 /nfs/dbraw/zinc/35/58/60/587355860.db2.gz WNDHICBPVCUWRW-ZDUSSCGKSA-N 1 2 239.322 2.501 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@]1(C)CC1(Cl)Cl ZINC000829993187 587531347 /nfs/dbraw/zinc/53/13/47/587531347.db2.gz DGBPRACBTCVDHO-JTQLQIEISA-N 1 2 247.169 2.972 20 30 BFEDLO CCn1c[nH+]cc1C=NN[C@@H](C)c1ccccc1 ZINC000841619865 587960568 /nfs/dbraw/zinc/96/05/68/587960568.db2.gz CMNBEPFSROKERF-LBPRGKRZSA-N 1 2 242.326 2.588 20 30 BFEDLO Cn1cc[nH+]c1NN=Cc1ccc(C2CC2)cc1 ZINC000841637298 587964420 /nfs/dbraw/zinc/96/44/20/587964420.db2.gz UHHQPPUMFMGPGS-UHFFFAOYSA-N 1 2 240.310 2.744 20 30 BFEDLO Cn1cc[nH+]c1[N-][NH+]=Cc1ccc(C2CC2)cc1 ZINC000841637298 587964421 /nfs/dbraw/zinc/96/44/21/587964421.db2.gz UHHQPPUMFMGPGS-UHFFFAOYSA-N 1 2 240.310 2.744 20 30 BFEDLO CCCON=CCCc1ccc(C)[nH+]c1 ZINC000842552676 588041862 /nfs/dbraw/zinc/04/18/62/588041862.db2.gz FLWOHDMILRWTOK-UHFFFAOYSA-N 1 2 206.289 2.735 20 30 BFEDLO CC1(C#N)C[NH+](C[C@H]2CCc3ccccc32)C1 ZINC000846882608 588295371 /nfs/dbraw/zinc/29/53/71/588295371.db2.gz MFAFHCXGUQCRPY-CYBMUJFWSA-N 1 2 226.323 2.562 20 30 BFEDLO CC[C@H](CC#N)[NH2+]C/C(Cl)=C/Cl ZINC000846989342 588300494 /nfs/dbraw/zinc/30/04/94/588300494.db2.gz ZJCNEXDSDUTDBP-GRKOMRHMSA-N 1 2 207.104 2.587 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]C/C(Cl)=C\Cl ZINC000846989344 588300558 /nfs/dbraw/zinc/30/05/58/588300558.db2.gz ZJCNEXDSDUTDBP-IVGLGHLBSA-N 1 2 207.104 2.587 20 30 BFEDLO C#C[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000847022784 588303420 /nfs/dbraw/zinc/30/34/20/588303420.db2.gz XXVPKJUOQKVIMS-LKJZUNMESA-N 1 2 218.127 2.651 20 30 BFEDLO C#C[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000847022784 588303421 /nfs/dbraw/zinc/30/34/21/588303421.db2.gz XXVPKJUOQKVIMS-LKJZUNMESA-N 1 2 218.127 2.651 20 30 BFEDLO C#CCCC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000847869447 588340151 /nfs/dbraw/zinc/34/01/51/588340151.db2.gz ZBUFTYJFHHELLI-CHWSQXEVSA-N 1 2 248.326 2.569 20 30 BFEDLO C[C@@H]1CC[C@@H](C)C(=NNCCCn2cc[nH+]c2)C1 ZINC000848416158 588381162 /nfs/dbraw/zinc/38/11/62/588381162.db2.gz ATRMVYXQIOFNSY-CHWSQXEVSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@H]1CCC(=NNCCCn2cc[nH+]c2)C[C@@H]1C ZINC000848417108 588381548 /nfs/dbraw/zinc/38/15/48/588381548.db2.gz KXMKIYWXGIJWTK-STQMWFEESA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@@H]1CCC(=NNCCCn2cc[nH+]c2)[C@H](C)C1 ZINC000848417306 588381777 /nfs/dbraw/zinc/38/17/77/588381777.db2.gz UCDISTAKUDDHAD-CHWSQXEVSA-N 1 2 248.374 2.675 20 30 BFEDLO C[C@@H]1CC(=NNCCCn2cc[nH+]c2)CC[C@@H]1C ZINC000848417107 588381781 /nfs/dbraw/zinc/38/17/81/588381781.db2.gz KXMKIYWXGIJWTK-QWHCGFSZSA-N 1 2 248.374 2.675 20 30 BFEDLO c1cn(CCCNN=C2CCCC23CCC3)c[nH+]1 ZINC000848416199 588381785 /nfs/dbraw/zinc/38/17/85/588381785.db2.gz CEBHQVSMPKITFF-UHFFFAOYSA-N 1 2 246.358 2.573 20 30 BFEDLO CC(C)=CCCC(C)N=NCCCn1cc[nH+]c1 ZINC000848417922 588381978 /nfs/dbraw/zinc/38/19/78/588381978.db2.gz HNRGIFBYYWMNAN-UHFFFAOYSA-N 1 2 248.374 2.985 20 30 BFEDLO CC[C@H](/[NH+]=C/c1cccc(O)c1O)C1CC1 ZINC000849172148 588459853 /nfs/dbraw/zinc/45/98/53/588459853.db2.gz MYCQKYJEVPGPRZ-KYJZABPNSA-N 1 2 219.284 2.705 20 30 BFEDLO Oc1ccc(/C=[NH+]\CCCC2CCC2)c(O)c1O ZINC000849171816 588459948 /nfs/dbraw/zinc/45/99/48/588459948.db2.gz GPLCMLQNPGAGLR-DHDCSXOGSA-N 1 2 249.310 2.803 20 30 BFEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000852099323 588662672 /nfs/dbraw/zinc/66/26/72/588662672.db2.gz JVNJFMFQJZIYRG-IINYFYTJSA-N 1 2 249.358 2.820 20 30 BFEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(CCC(C)C)no1 ZINC000852099404 588662791 /nfs/dbraw/zinc/66/27/91/588662791.db2.gz LKMVJZDZMBANOM-CQSZACIVSA-N 1 2 249.358 2.550 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000852320143 588678458 /nfs/dbraw/zinc/67/84/58/588678458.db2.gz XEDODZGSBFPBDV-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000852320143 588678459 /nfs/dbraw/zinc/67/84/59/588678459.db2.gz XEDODZGSBFPBDV-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO CC(C)c1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000852320006 588678522 /nfs/dbraw/zinc/67/85/22/588678522.db2.gz UTFISMAWLLZSJU-GFCCVEGCSA-N 1 2 247.342 2.924 20 30 BFEDLO CC(C)c1cnc(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000852320006 588678523 /nfs/dbraw/zinc/67/85/23/588678523.db2.gz UTFISMAWLLZSJU-GFCCVEGCSA-N 1 2 247.342 2.924 20 30 BFEDLO Cc1c(F)nccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000862251249 589197428 /nfs/dbraw/zinc/19/74/28/589197428.db2.gz YSNYTMVOIOEFNI-JTQLQIEISA-N 1 2 247.317 2.653 20 30 BFEDLO Cc1c(F)nccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000862251249 589197429 /nfs/dbraw/zinc/19/74/29/589197429.db2.gz YSNYTMVOIOEFNI-JTQLQIEISA-N 1 2 247.317 2.653 20 30 BFEDLO c1cnn([NH+]=C2CCCc3ccccc3C2)c1 ZINC000863163561 589266312 /nfs/dbraw/zinc/26/63/12/589266312.db2.gz IXRBIDVLPZZNRH-UHFFFAOYSA-N 1 2 225.295 2.666 20 30 BFEDLO CC(C)(C)[C@@H]1CC(=[NH+]n2cccn2)CS1 ZINC000863164079 589266697 /nfs/dbraw/zinc/26/66/97/589266697.db2.gz ZQMKZHXZSTVFKW-JTQLQIEISA-N 1 2 223.345 2.639 20 30 BFEDLO C=C1CCN(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000864253232 589350305 /nfs/dbraw/zinc/35/03/05/589350305.db2.gz PLGKUPFMUMDPMY-UHFFFAOYSA-N 1 2 245.326 2.882 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC1CC=CC1 ZINC000864345344 589353900 /nfs/dbraw/zinc/35/39/00/589353900.db2.gz UHEZDEZXOVPAMK-GXDHUFHOSA-N 1 2 201.269 2.777 20 30 BFEDLO C/C=C\C/[NH+]=C\c1cccc(OCC)c1O ZINC000864346122 589354570 /nfs/dbraw/zinc/35/45/70/589354570.db2.gz OABLKKIMAMOMCM-CFKNCFDWSA-N 1 2 219.284 2.786 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC[C@@H]1CCSC1 ZINC000864347628 589354823 /nfs/dbraw/zinc/35/48/23/589354823.db2.gz UZWZJDCPDCXVBS-ZECSTPGPSA-N 1 2 235.352 2.954 20 30 BFEDLO O=C(/C=C/c1cn(C2CC2)c[nH+]1)c1cncs1 ZINC000865220553 589414721 /nfs/dbraw/zinc/41/47/21/589414721.db2.gz MAZJGEKHQDSFQP-DAFODLJHSA-N 1 2 245.307 2.571 20 30 BFEDLO C#CCCNc1[nH+]cc(C(F)(F)F)cc1C ZINC000865537612 589443950 /nfs/dbraw/zinc/44/39/50/589443950.db2.gz DNDWUEFCWWWEPL-UHFFFAOYSA-N 1 2 228.217 2.844 20 30 BFEDLO CC[C@H](CC#N)Nc1cc[nH+]cc1C(F)(F)F ZINC000865678595 589455790 /nfs/dbraw/zinc/45/57/90/589455790.db2.gz CLHUIYCUGXFUAF-MRVPVSSYSA-N 1 2 243.232 2.626 20 30 BFEDLO CC(C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866213017 589480897 /nfs/dbraw/zinc/48/08/97/589480897.db2.gz PVVNLUORCSHUPE-SNVBAGLBSA-N 1 2 218.300 2.570 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(C)C)c1cccc(C#N)c1O ZINC000866241596 589482434 /nfs/dbraw/zinc/48/24/34/589482434.db2.gz FJIMDYIZPSWGDK-SNVBAGLBSA-N 1 2 232.327 2.961 20 30 BFEDLO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866296397 589484518 /nfs/dbraw/zinc/48/45/18/589484518.db2.gz BQUXTNJQCQJBME-GHMZBOCLSA-N 1 2 230.311 2.879 20 30 BFEDLO C[C@H]([NH2+]C1CC(C)C1)c1cccc(C#N)c1O ZINC000866304033 589485300 /nfs/dbraw/zinc/48/53/00/589485300.db2.gz ZEVPSTRQYQXHOZ-YZRBJQDESA-N 1 2 230.311 2.713 20 30 BFEDLO C[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(C#N)c1O ZINC000866319769 589486185 /nfs/dbraw/zinc/48/61/85/589486185.db2.gz IAKNDPOZNSIKMN-JTQLQIEISA-N 1 2 242.322 2.857 20 30 BFEDLO CN(C)c1ccc([NH2+][C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000866626396 589505867 /nfs/dbraw/zinc/50/58/67/589505867.db2.gz UBRIDQUBAWUABI-GHMZBOCLSA-N 1 2 247.317 2.996 20 30 BFEDLO Oc1ccccc1/C=[NH+]\[C@H]1CC12CCC2 ZINC000871598638 589772690 /nfs/dbraw/zinc/77/26/90/589772690.db2.gz WIJBAPAYOURWBX-CJAAZZPWSA-N 1 2 201.269 2.754 20 30 BFEDLO C=CCCSCc1[nH+]ccn1CC(F)F ZINC000871699297 589794274 /nfs/dbraw/zinc/79/42/74/589794274.db2.gz YHTYBSXBOBOSSX-UHFFFAOYSA-N 1 2 232.299 2.958 20 30 BFEDLO C=CCC[C@H]([NH2+]Cc1nonc1C)c1ccco1 ZINC000872137085 589878753 /nfs/dbraw/zinc/87/87/53/589878753.db2.gz QKGVMBPYRPZCNP-NSHDSACASA-N 1 2 247.298 2.768 20 30 BFEDLO C=CC(C)(C)CC(=O)Nc1c[nH+]ccc1OC ZINC000888598282 589899492 /nfs/dbraw/zinc/89/94/92/589899492.db2.gz WJNUFZHEUFCFGC-UHFFFAOYSA-N 1 2 234.299 2.631 20 30 BFEDLO CC1(C)CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876743216 590235979 /nfs/dbraw/zinc/23/59/79/590235979.db2.gz CGJGHQOZLHNNIS-UHFFFAOYSA-N 1 2 235.718 2.591 20 30 BFEDLO CC1(C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876743216 590235980 /nfs/dbraw/zinc/23/59/80/590235980.db2.gz CGJGHQOZLHNNIS-UHFFFAOYSA-N 1 2 235.718 2.591 20 30 BFEDLO C[C@H](CCC#N)C[NH2+]c1ccc2c(c1)CCO2 ZINC000877045733 590274006 /nfs/dbraw/zinc/27/40/06/590274006.db2.gz FPMLQUGQUUDGLJ-LLVKDONJSA-N 1 2 230.311 2.973 20 30 BFEDLO CC1(C[N@@H+]2CC[C@@](F)(C#N)C2)CCCC1 ZINC000877463544 590332540 /nfs/dbraw/zinc/33/25/40/590332540.db2.gz BGNKZLDAJFRRIQ-GFCCVEGCSA-N 1 2 210.296 2.504 20 30 BFEDLO CC1(C[N@H+]2CC[C@@](F)(C#N)C2)CCCC1 ZINC000877463544 590332543 /nfs/dbraw/zinc/33/25/43/590332543.db2.gz BGNKZLDAJFRRIQ-GFCCVEGCSA-N 1 2 210.296 2.504 20 30 BFEDLO C=CCC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877465917 590334039 /nfs/dbraw/zinc/33/40/39/590334039.db2.gz XTAMWYCIHPDYMF-UHFFFAOYSA-N 1 2 227.254 2.678 20 30 BFEDLO C=CCC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877465917 590334041 /nfs/dbraw/zinc/33/40/41/590334041.db2.gz XTAMWYCIHPDYMF-UHFFFAOYSA-N 1 2 227.254 2.678 20 30 BFEDLO C=CC[N@H+](CC(=O)c1ccccc1F)C(C)C ZINC000877977241 590464427 /nfs/dbraw/zinc/46/44/27/590464427.db2.gz VMRNBIUDEFFFDM-UHFFFAOYSA-N 1 2 235.302 2.905 20 30 BFEDLO C=CC[N@@H+](CC(=O)c1ccccc1F)C(C)C ZINC000877977241 590464428 /nfs/dbraw/zinc/46/44/28/590464428.db2.gz VMRNBIUDEFFFDM-UHFFFAOYSA-N 1 2 235.302 2.905 20 30 BFEDLO N#CC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC000878032987 590476208 /nfs/dbraw/zinc/47/62/08/590476208.db2.gz QRXJZQDSGDOSKY-UHFFFAOYSA-N 1 2 204.317 2.555 20 30 BFEDLO N#CC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC000878032987 590476209 /nfs/dbraw/zinc/47/62/09/590476209.db2.gz QRXJZQDSGDOSKY-UHFFFAOYSA-N 1 2 204.317 2.555 20 30 BFEDLO CC[N@@H+](CC#N)CC[C@H]1CCCC1(F)F ZINC000878031540 590476424 /nfs/dbraw/zinc/47/64/24/590476424.db2.gz CAIIHMAFTWMJFT-SNVBAGLBSA-N 1 2 216.275 2.657 20 30 BFEDLO CC[N@H+](CC#N)CC[C@H]1CCCC1(F)F ZINC000878031540 590476426 /nfs/dbraw/zinc/47/64/26/590476426.db2.gz CAIIHMAFTWMJFT-SNVBAGLBSA-N 1 2 216.275 2.657 20 30 BFEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000878157710 590508687 /nfs/dbraw/zinc/50/86/87/590508687.db2.gz KPLLWPLWPOBBLX-RISCZKNCSA-N 1 2 245.322 2.681 20 30 BFEDLO C=CC[C@@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@H]1C ZINC000878157710 590508689 /nfs/dbraw/zinc/50/86/89/590508689.db2.gz KPLLWPLWPOBBLX-RISCZKNCSA-N 1 2 245.322 2.681 20 30 BFEDLO C[N@H+](CCC#N)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878175471 590516569 /nfs/dbraw/zinc/51/65/69/590516569.db2.gz SGQUSMBLVMWWAM-LSDHHAIUSA-N 1 2 244.338 2.752 20 30 BFEDLO C[N@@H+](CCC#N)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878175471 590516570 /nfs/dbraw/zinc/51/65/70/590516570.db2.gz SGQUSMBLVMWWAM-LSDHHAIUSA-N 1 2 244.338 2.752 20 30 BFEDLO C=CC[N@H+](Cc1nc2c(o1)CCCC2)C1CC1 ZINC000878341661 590552362 /nfs/dbraw/zinc/55/23/62/590552362.db2.gz FABJTETXYVBHEH-UHFFFAOYSA-N 1 2 232.327 2.704 20 30 BFEDLO C=CC[N@@H+](Cc1nc2c(o1)CCCC2)C1CC1 ZINC000878341661 590552363 /nfs/dbraw/zinc/55/23/63/590552363.db2.gz FABJTETXYVBHEH-UHFFFAOYSA-N 1 2 232.327 2.704 20 30 BFEDLO C=CC[C@H]([NH2+][C@H](C)c1ccccc1C)C(=O)OC ZINC000878345134 590552933 /nfs/dbraw/zinc/55/29/33/590552933.db2.gz LNCZNEUKUIRHNX-OCCSQVGLSA-N 1 2 247.338 2.763 20 30 BFEDLO C[N@H+](Cc1ccns1)Cc1ccc(C#N)s1 ZINC000878899161 590643750 /nfs/dbraw/zinc/64/37/50/590643750.db2.gz FBBHDTNYAOYPAV-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO C[N@@H+](Cc1ccns1)Cc1ccc(C#N)s1 ZINC000878899161 590643754 /nfs/dbraw/zinc/64/37/54/590643754.db2.gz FBBHDTNYAOYPAV-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO CC[N@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@@H](C)C#N ZINC000878986923 590670077 /nfs/dbraw/zinc/67/00/77/590670077.db2.gz AVSCZWVGXSXFOU-RYUDHWBXSA-N 1 2 238.375 2.814 20 30 BFEDLO CC[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@@H](C)C#N ZINC000878986923 590670079 /nfs/dbraw/zinc/67/00/79/590670079.db2.gz AVSCZWVGXSXFOU-RYUDHWBXSA-N 1 2 238.375 2.814 20 30 BFEDLO C[N@H+](Cc1ccnc(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000879309877 590735331 /nfs/dbraw/zinc/73/53/31/590735331.db2.gz YCXGBQFQFWMSAN-NWDGAFQWSA-N 1 2 249.745 2.859 20 30 BFEDLO C[N@@H+](Cc1ccnc(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000879309877 590735334 /nfs/dbraw/zinc/73/53/34/590735334.db2.gz YCXGBQFQFWMSAN-NWDGAFQWSA-N 1 2 249.745 2.859 20 30 BFEDLO C=C(C)C[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737228 590858587 /nfs/dbraw/zinc/85/85/87/590858587.db2.gz GAYYGSRUHQTWDP-OAHLLOKOSA-N 1 2 247.338 2.645 20 30 BFEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737228 590858589 /nfs/dbraw/zinc/85/85/89/590858589.db2.gz GAYYGSRUHQTWDP-OAHLLOKOSA-N 1 2 247.338 2.645 20 30 BFEDLO C=CC(C)(C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000879838303 590881298 /nfs/dbraw/zinc/88/12/98/590881298.db2.gz PNQWLYHRIKXZJG-UHFFFAOYSA-N 1 2 243.310 2.875 20 30 BFEDLO N#CCCC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880443319 591044083 /nfs/dbraw/zinc/04/40/83/591044083.db2.gz ANXFARSKRJYNSC-UHFFFAOYSA-N 1 2 236.265 2.627 20 30 BFEDLO N#CCCC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880443319 591044087 /nfs/dbraw/zinc/04/40/87/591044087.db2.gz ANXFARSKRJYNSC-UHFFFAOYSA-N 1 2 236.265 2.627 20 30 BFEDLO C=C[C@@H]1CCCCN1c1cc[nH+]c(CC)n1 ZINC000884489468 591955094 /nfs/dbraw/zinc/95/50/94/591955094.db2.gz YRBMTJMMXUSSRB-LLVKDONJSA-N 1 2 217.316 2.584 20 30 BFEDLO CCc1nc(NCC(C)(C)CCC#N)cc[nH+]1 ZINC000884509183 591961116 /nfs/dbraw/zinc/96/11/16/591961116.db2.gz YRXYDJZYOWUZBK-UHFFFAOYSA-N 1 2 232.331 2.781 20 30 BFEDLO C=CC[C@@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000884569487 591983373 /nfs/dbraw/zinc/98/33/73/591983373.db2.gz OSSJOQZXLSMWMX-LLVKDONJSA-N 1 2 244.294 2.764 20 30 BFEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ncco1 ZINC000886532015 592248636 /nfs/dbraw/zinc/24/86/36/592248636.db2.gz BTPGRHSNXZFBBB-QWRGUYRKSA-N 1 2 241.294 2.958 20 30 BFEDLO C[C@H]1CC[N@H+](CC#N)[C@H]1c1ccccc1 ZINC000886545856 592255396 /nfs/dbraw/zinc/25/53/96/592255396.db2.gz UGBHKAYHJOTTPF-WCQYABFASA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@H]1CC[N@@H+](CC#N)[C@H]1c1ccccc1 ZINC000886545856 592255398 /nfs/dbraw/zinc/25/53/98/592255398.db2.gz UGBHKAYHJOTTPF-WCQYABFASA-N 1 2 200.285 2.593 20 30 BFEDLO CC(C)([NH2+]CCC#N)c1ccc(F)cc1F ZINC000886902151 592392851 /nfs/dbraw/zinc/39/28/51/592392851.db2.gz MAQDPASWYAWUDD-UHFFFAOYSA-N 1 2 224.254 2.703 20 30 BFEDLO N#CCSCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887100719 592441662 /nfs/dbraw/zinc/44/16/62/592441662.db2.gz NNHRMIRVZHWRNL-UHFFFAOYSA-N 1 2 248.342 2.753 20 30 BFEDLO N#CCSCCC[N@H+](CC(F)F)C1CCC1 ZINC000887100719 592441665 /nfs/dbraw/zinc/44/16/65/592441665.db2.gz NNHRMIRVZHWRNL-UHFFFAOYSA-N 1 2 248.342 2.753 20 30 BFEDLO N#CCC1(C[N@@H+](CC(F)F)C2CCC2)CC1 ZINC000887102458 592443107 /nfs/dbraw/zinc/44/31/07/592443107.db2.gz QKMHUDCKXKYSEW-UHFFFAOYSA-N 1 2 228.286 2.800 20 30 BFEDLO N#CCC1(C[N@H+](CC(F)F)C2CCC2)CC1 ZINC000887102458 592443110 /nfs/dbraw/zinc/44/31/10/592443110.db2.gz QKMHUDCKXKYSEW-UHFFFAOYSA-N 1 2 228.286 2.800 20 30 BFEDLO CC1(C)CC[C@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001258595691 991493965 /nfs/dbraw/zinc/49/39/65/991493965.db2.gz HVJGULDWGDCDAY-NSHDSACASA-N 1 2 206.333 2.991 20 30 BFEDLO C#CC[N@H+](CCC#N)[C@H]1CCCc2ccccc21 ZINC000933422428 631374011 /nfs/dbraw/zinc/37/40/11/631374011.db2.gz ZSZBBGXAWVBISN-INIZCTEOSA-N 1 2 238.334 2.913 20 30 BFEDLO C#CC[N@@H+](CCC#N)[C@H]1CCCc2ccccc21 ZINC000933422428 631374016 /nfs/dbraw/zinc/37/40/16/631374016.db2.gz ZSZBBGXAWVBISN-INIZCTEOSA-N 1 2 238.334 2.913 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nnc(C)s1 ZINC000934460920 631851914 /nfs/dbraw/zinc/85/19/14/631851914.db2.gz LBIYWPNATQXRFF-PSASIEDQSA-N 1 2 223.345 2.558 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nnc(C)s1 ZINC000934460920 631851920 /nfs/dbraw/zinc/85/19/20/631851920.db2.gz LBIYWPNATQXRFF-PSASIEDQSA-N 1 2 223.345 2.558 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1C/C(Cl)=C\Cl ZINC000934460345 631854921 /nfs/dbraw/zinc/85/49/21/631854921.db2.gz LLRCDQKCBZMFGT-BNICOGTQSA-N 1 2 206.116 2.956 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1C/C(Cl)=C\Cl ZINC000934460345 631854923 /nfs/dbraw/zinc/85/49/23/631854923.db2.gz LLRCDQKCBZMFGT-BNICOGTQSA-N 1 2 206.116 2.956 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(C(C)C)no1 ZINC000934471610 631864724 /nfs/dbraw/zinc/86/47/24/631864724.db2.gz VQSROEMGFUGHOD-QWRGUYRKSA-N 1 2 235.331 2.904 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc(C(C)C)no1 ZINC000934471610 631864726 /nfs/dbraw/zinc/86/47/26/631864726.db2.gz VQSROEMGFUGHOD-QWRGUYRKSA-N 1 2 235.331 2.904 20 30 BFEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccnc1 ZINC000255844069 632754439 /nfs/dbraw/zinc/75/44/39/632754439.db2.gz IAHMDVVLLQAOSG-SREVYHEPSA-N 1 2 249.273 2.625 20 30 BFEDLO C=CCC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926685590 632819423 /nfs/dbraw/zinc/81/94/23/632819423.db2.gz NUKPZQKAHVYNQU-ZDUSSCGKSA-N 1 2 230.311 2.881 20 30 BFEDLO C/C=C/C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926770141 633014712 /nfs/dbraw/zinc/01/47/12/633014712.db2.gz MZTSTZJKOXCBSD-LQPUYASZSA-N 1 2 230.311 2.881 20 30 BFEDLO C#CCCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892702532 633156238 /nfs/dbraw/zinc/15/62/38/633156238.db2.gz ASLUJCLHSSSBKN-UHFFFAOYSA-N 1 2 229.327 2.878 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccnn1C1CCC1 ZINC000926874041 633758398 /nfs/dbraw/zinc/75/83/98/633758398.db2.gz MJYGCHJGBNSKJW-NSHDSACASA-N 1 2 244.342 2.562 20 30 BFEDLO C#CCOc1ccccc1CNc1cccc[nH+]1 ZINC000079752960 636795708 /nfs/dbraw/zinc/79/57/08/636795708.db2.gz VJOMYLLZWBZTPI-UHFFFAOYSA-N 1 2 238.290 2.706 20 30 BFEDLO CC[C@@H]([NH2+]CC1CC1)c1cccc(C#N)c1O ZINC000924625456 636941363 /nfs/dbraw/zinc/94/13/63/636941363.db2.gz GVSRXORELAZCKY-CYBMUJFWSA-N 1 2 230.311 2.715 20 30 BFEDLO CC(C)n1c[nH+]cc1/C=C/c1nc(C#N)cs1 ZINC000901544030 637260161 /nfs/dbraw/zinc/26/01/61/637260161.db2.gz MOHGCMWKVSAPNK-ONEGZZNKSA-N 1 2 244.323 2.963 20 30 BFEDLO CC(C)n1c[nH+]cc1/C=C\c1nc(C#N)cs1 ZINC000901544029 637260309 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641168448 /nfs/dbraw/zinc/16/84/48/641168448.db2.gz WABFRVRVQKDJJW-LLVKDONJSA-N 1 2 235.331 2.563 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(CCCC)no1 ZINC000934473000 641168452 /nfs/dbraw/zinc/16/84/52/641168452.db2.gz WABFRVRVQKDJJW-LLVKDONJSA-N 1 2 235.331 2.563 20 30 BFEDLO C=CCCC[N@@H+](CC)Cc1noc(C(C)C)n1 ZINC000934649660 641233752 /nfs/dbraw/zinc/23/37/52/641233752.db2.gz WMRZERJTHTXLLJ-UHFFFAOYSA-N 1 2 237.347 2.981 20 30 BFEDLO C=CCCC[N@H+](CC)Cc1noc(C(C)C)n1 ZINC000934649660 641233760 /nfs/dbraw/zinc/23/37/60/641233760.db2.gz WMRZERJTHTXLLJ-UHFFFAOYSA-N 1 2 237.347 2.981 20 30 BFEDLO CCCCNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000915970046 641889920 /nfs/dbraw/zinc/88/99/20/641889920.db2.gz VMUNLVUWIDLBGA-UHFFFAOYSA-N 1 2 242.326 2.596 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1cscc1Cl ZINC000307199813 642363184 /nfs/dbraw/zinc/36/31/84/642363184.db2.gz CZQPSKFJCIZJES-QMMMGPOBSA-N 1 2 213.733 2.855 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1cscc1Cl ZINC000307199813 642363189 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C[N@@H+](C[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879307949 712632996 /nfs/dbraw/zinc/63/29/96/712632996.db2.gz GMHAKAQCDRNIED-KXUCPTDWSA-N 1 2 247.169 2.804 20 30 BFEDLO C#Cc1ccc(CNc2cccc[nH+]2)cc1 ZINC000381368494 710628431 /nfs/dbraw/zinc/62/84/31/710628431.db2.gz GUTFDJVBFIGLHH-UHFFFAOYSA-N 1 2 208.264 2.675 20 30 BFEDLO N#C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716344798 712555871 /nfs/dbraw/zinc/55/58/71/712555871.db2.gz CIUCDVHRACWSBN-KGLIPLIRSA-N 1 2 248.370 2.571 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716344798 712555873 /nfs/dbraw/zinc/55/58/73/712555873.db2.gz CIUCDVHRACWSBN-KGLIPLIRSA-N 1 2 248.370 2.571 20 30 BFEDLO Cc1conc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000720420140 712841243 /nfs/dbraw/zinc/84/12/43/712841243.db2.gz QJHMNHYJEXYIDT-LLVKDONJSA-N 1 2 241.294 2.706 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720824363 712867741 /nfs/dbraw/zinc/86/77/41/712867741.db2.gz RZUFJAKXLIOUEC-NWDGAFQWSA-N 1 2 244.338 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O=C1C=C2C[N@@H+](C3CCCCC3)CCC2S1 ZINC001257455881 971378291 /nfs/dbraw/zinc/37/82/91/971378291.db2.gz OEDWCZNLKXKBET-LBPRGKRZSA-N 1 2 237.368 2.593 20 30 BFEDLO O=C1C=C2C[N@H+](C3CCCCC3)CC[C@@H]2S1 ZINC001257455881 971378296 /nfs/dbraw/zinc/37/82/96/971378296.db2.gz OEDWCZNLKXKBET-LBPRGKRZSA-N 1 2 237.368 2.593 20 30 BFEDLO O=C1C=C2C[N@@H+](C3CCCCC3)CC[C@@H]2S1 ZINC001257455881 971378301 /nfs/dbraw/zinc/37/83/01/971378301.db2.gz OEDWCZNLKXKBET-LBPRGKRZSA-N 1 2 237.368 2.593 20 30 BFEDLO C#C[C@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1 ZINC000812793950 971542112 /nfs/dbraw/zinc/54/21/12/971542112.db2.gz KZWAQDWXADJCMC-AWEZNQCLSA-N 1 2 229.254 2.883 20 30 BFEDLO CNc1cc(-c2ccc(F)cc2CC#N)cc[nH+]1 ZINC001244975675 971576426 /nfs/dbraw/zinc/57/64/26/971576426.db2.gz KAPLZAYKAZNZSV-UHFFFAOYSA-N 1 2 241.269 2.995 20 30 BFEDLO N#CC1([NH2+][C@@H]2CCCOCC2)CCCCCC1 ZINC001170774746 971790888 /nfs/dbraw/zinc/79/08/88/971790888.db2.gz BZVQNONHKWMWEQ-CYBMUJFWSA-N 1 2 236.359 2.762 20 30 BFEDLO 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ZINC001255179108 969996693 /nfs/dbraw/zinc/99/66/93/969996693.db2.gz MQBRXNHFGCDWRY-ZDUSSCGKSA-N 1 2 244.338 2.746 20 30 BFEDLO C#Cc1cccnc1Nc1cc(C)[nH+]c(OC)c1 ZINC001210776622 970028643 /nfs/dbraw/zinc/02/86/43/970028643.db2.gz RFOOXDYQMHFAKL-UHFFFAOYSA-N 1 2 239.278 2.519 20 30 BFEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCCC)C(=O)OCC ZINC001255316012 970090529 /nfs/dbraw/zinc/09/05/29/970090529.db2.gz RWFJBXFEPOPYBN-OUCADQQQSA-N 1 2 239.359 2.663 20 30 BFEDLO Cc1ccc(Nc2ccc(N)cc2C#N)[nH+]c1 ZINC001211012918 970115124 /nfs/dbraw/zinc/11/51/24/970115124.db2.gz STTBQYLMMJOXIX-UHFFFAOYSA-N 1 2 224.267 2.588 20 30 BFEDLO CC1(C)C[C@@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001255526976 970290526 /nfs/dbraw/zinc/29/05/26/970290526.db2.gz JIJXTJGDYHLFKF-LBPRGKRZSA-N 1 2 236.359 2.760 20 30 BFEDLO N#Cc1cc(Nc2ccn3cc[nH+]c3c2)ccc1N ZINC001213433610 970317961 /nfs/dbraw/zinc/31/79/61/970317961.db2.gz HYKZXWSEZAXBCZ-UHFFFAOYSA-N 1 2 249.277 2.532 20 30 BFEDLO Cc1cc(C)c(Nc2cc(C#N)ccn2)c[nH+]1 ZINC001213503632 970332919 /nfs/dbraw/zinc/33/29/19/970332919.db2.gz PXGMDXLEUXIJTF-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO C[C@H](C#N)[N@H+](C)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255724304 970467735 /nfs/dbraw/zinc/46/77/35/970467735.db2.gz RRKVQXUPDXMYGT-KXUCPTDWSA-N 1 2 234.265 2.951 20 30 BFEDLO C[C@H](C#N)[N@@H+](C)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255724304 970467742 /nfs/dbraw/zinc/46/77/42/970467742.db2.gz RRKVQXUPDXMYGT-KXUCPTDWSA-N 1 2 234.265 2.951 20 30 BFEDLO CC[C@@H]1C[C@@H]([NH2+][C@](C)(C#N)CC(C)C)CCO1 ZINC001170191382 970563330 /nfs/dbraw/zinc/56/33/30/970563330.db2.gz IXMKTTJVNDRJAW-MJBXVCDLSA-N 1 2 238.375 2.862 20 30 BFEDLO CC[C@H]1C[C@@H]([NH2+]C(C#N)(CC)CC)CCO1 ZINC001170190768 970566199 /nfs/dbraw/zinc/56/61/99/970566199.db2.gz HDVZEYRGUOJWIO-RYUDHWBXSA-N 1 2 224.348 2.616 20 30 BFEDLO CC(C)(S)CNc1ccc(-n2cccc2)c[nH+]1 ZINC001170305126 970692751 /nfs/dbraw/zinc/69/27/51/970692751.db2.gz NCHGLARPNKWQGT-UHFFFAOYSA-N 1 2 247.367 2.993 20 30 BFEDLO Cc1c[nH+]cc(NCC(C)(C)S)c1C ZINC001170305779 970696116 /nfs/dbraw/zinc/69/61/16/970696116.db2.gz FDERIIVJAMOKAH-UHFFFAOYSA-N 1 2 210.346 2.819 20 30 BFEDLO C#C[C@@H](CCCCC)OCc1c[nH+]cn1C ZINC001222594651 972594023 /nfs/dbraw/zinc/59/40/23/972594023.db2.gz IJVYZLOTFGUNTH-ZDUSSCGKSA-N 1 2 220.316 2.519 20 30 BFEDLO Cc1cc(C#N)cc(C)c1-c1ccc(N)[nH+]c1 ZINC001222657199 972624366 /nfs/dbraw/zinc/62/43/66/972624366.db2.gz KIRJJCKOGABTFP-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO C=CC(C=C)OCc1cc(C)[nH+]c(C)c1 ZINC001223426015 973067793 /nfs/dbraw/zinc/06/77/93/973067793.db2.gz XDBXKKXBVJHZCH-UHFFFAOYSA-N 1 2 203.285 2.956 20 30 BFEDLO Cc1cc(CO[C@@H](C)CS)cc(C)[nH+]1 ZINC001223425436 973068156 /nfs/dbraw/zinc/06/81/56/973068156.db2.gz ROJPQTVDGROPEZ-JTQLQIEISA-N 1 2 211.330 2.533 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC001329060224 973456261 /nfs/dbraw/zinc/45/62/61/973456261.db2.gz IQJFTQUAYUNKTK-GFCCVEGCSA-N 1 2 239.322 2.530 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC001329060224 973456265 /nfs/dbraw/zinc/45/62/65/973456265.db2.gz IQJFTQUAYUNKTK-GFCCVEGCSA-N 1 2 239.322 2.530 20 30 BFEDLO N#CCC[N@H+](Cc1cccnc1)C1CCCC1 ZINC001204075191 974209588 /nfs/dbraw/zinc/20/95/88/974209588.db2.gz LJYYSCDRLFOFLG-UHFFFAOYSA-N 1 2 229.327 2.740 20 30 BFEDLO N#CCC[N@@H+](Cc1cccnc1)C1CCCC1 ZINC001204075191 974209596 /nfs/dbraw/zinc/20/95/96/974209596.db2.gz LJYYSCDRLFOFLG-UHFFFAOYSA-N 1 2 229.327 2.740 20 30 BFEDLO Cc1nnn([NH+]=C[C@H]2CCCC[C@H]2C)c1C ZINC001330883054 974521570 /nfs/dbraw/zinc/52/15/70/974521570.db2.gz NAHFHWPPHQFDAZ-BXKDBHETSA-N 1 2 220.320 2.555 20 30 BFEDLO Cc1nnn([NH+]=CC(C(C)C)C(C)C)c1C ZINC001330892937 974524112 /nfs/dbraw/zinc/52/41/12/974524112.db2.gz RCCDHIUVFLHLLA-UHFFFAOYSA-N 1 2 222.336 2.657 20 30 BFEDLO CCCC[N@H+](CC#N)[C@@H](C)CCCC#N ZINC001172501413 974853281 /nfs/dbraw/zinc/85/32/81/974853281.db2.gz QCCASZLMAKRUNT-LBPRGKRZSA-N 1 2 207.321 2.694 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@@H](C)CCCC#N ZINC001172501413 974853282 /nfs/dbraw/zinc/85/32/82/974853282.db2.gz QCCASZLMAKRUNT-LBPRGKRZSA-N 1 2 207.321 2.694 20 30 BFEDLO CCCC[N@H+](CC#N)[C@@H]1CCC[C@@H](OC)C1 ZINC001172943133 974999954 /nfs/dbraw/zinc/99/99/54/974999954.db2.gz LSMIXXLBFRWANJ-CHWSQXEVSA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@@H]1CCC[C@@H](OC)C1 ZINC001172943133 974999959 /nfs/dbraw/zinc/99/99/59/974999959.db2.gz LSMIXXLBFRWANJ-CHWSQXEVSA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@H](C#N)C1 ZINC001173260707 975110087 /nfs/dbraw/zinc/11/00/87/975110087.db2.gz TVBCMQCIRNVPDY-UONOGXRCSA-N 1 2 238.375 2.816 20 30 BFEDLO CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@H](C#N)C1 ZINC001173260707 975110093 /nfs/dbraw/zinc/11/00/93/975110093.db2.gz TVBCMQCIRNVPDY-UONOGXRCSA-N 1 2 238.375 2.816 20 30 BFEDLO CC#C[C@@H](CC)Oc1c(C)cc[nH+]c1C ZINC001227261801 975340556 /nfs/dbraw/zinc/34/05/56/975340556.db2.gz GNDHVGAUPJWIMP-GFCCVEGCSA-N 1 2 203.285 2.879 20 30 BFEDLO Cc1cc[nH+]c(C)c1O[C@H](C)[C@H](C)S ZINC001227265691 975342352 /nfs/dbraw/zinc/34/23/52/975342352.db2.gz VYPAGMUVWBSRSO-ZJUUUORDSA-N 1 2 211.330 2.784 20 30 BFEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586609 975432502 /nfs/dbraw/zinc/43/25/02/975432502.db2.gz WNIIOMCDYQRQJZ-JXQTWKCFSA-N 1 2 233.359 2.987 20 30 BFEDLO C#Cc1cc(Nc2ccc(SC)cc2)cc[nH+]1 ZINC001173811700 975560722 /nfs/dbraw/zinc/56/07/22/975560722.db2.gz LMVUKBFXDLWXNI-UHFFFAOYSA-N 1 2 240.331 2.950 20 30 BFEDLO C#Cc1cc(Nc2cccc(F)c2F)cc[nH+]1 ZINC001173947787 976100993 /nfs/dbraw/zinc/10/09/93/976100993.db2.gz UUFMLMGGPMFKOG-UHFFFAOYSA-N 1 2 230.217 2.507 20 30 BFEDLO Cc1[nH]c2ccc(O[C@H](C)CS)cc2[nH+]1 ZINC001228329029 976118966 /nfs/dbraw/zinc/11/89/66/976118966.db2.gz KVKORRGBWDFSLE-SSDOTTSWSA-N 1 2 222.313 2.568 20 30 BFEDLO C#CC[C@H](C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228329062 976120230 /nfs/dbraw/zinc/12/02/30/976120230.db2.gz LEEHXNQRYGBHEW-VIFPVBQESA-N 1 2 214.268 2.662 20 30 BFEDLO C#Cc1cc(Nc2cc(C)ccc2OC)cc[nH+]1 ZINC001173982445 976121412 /nfs/dbraw/zinc/12/14/12/976121412.db2.gz FMOYSEZXTXBFAM-UHFFFAOYSA-N 1 2 238.290 2.545 20 30 BFEDLO C[NH+]1CC(Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228993952 976621769 /nfs/dbraw/zinc/62/17/69/976621769.db2.gz YNPBPXZKNWYMAC-UHFFFAOYSA-N 1 2 244.338 2.549 20 30 BFEDLO C#Cc1cc(Nc2ccsc2C)cc[nH+]1 ZINC001174458936 976741558 /nfs/dbraw/zinc/74/15/58/976741558.db2.gz UHKQZOCOGYIOSN-UHFFFAOYSA-N 1 2 214.293 2.598 20 30 BFEDLO C=CC[N@@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC001334999702 976818934 /nfs/dbraw/zinc/81/89/34/976818934.db2.gz DMYMCBUOUGBRKJ-UHFFFAOYSA-N 1 2 225.723 2.558 20 30 BFEDLO C=CC[N@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC001334999702 976818937 /nfs/dbraw/zinc/81/89/37/976818937.db2.gz DMYMCBUOUGBRKJ-UHFFFAOYSA-N 1 2 225.723 2.558 20 30 BFEDLO C#C[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001229955148 977039534 /nfs/dbraw/zinc/03/95/34/977039534.db2.gz XPMHMCQNMFKBFB-HNNXBMFYSA-N 1 2 240.306 2.909 20 30 BFEDLO C#C[C@H](CC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954863 977040776 /nfs/dbraw/zinc/04/07/76/977040776.db2.gz VBHJIQPPQLCGQJ-CYBMUJFWSA-N 1 2 226.279 2.663 20 30 BFEDLO C#Cc1cc(Nc2cc(F)c(F)c(F)c2)cc[nH+]1 ZINC001174955267 977186597 /nfs/dbraw/zinc/18/65/97/977186597.db2.gz WJSIRSNGQDGKTR-UHFFFAOYSA-N 1 2 248.207 2.646 20 30 BFEDLO C#Cc1cc(Nc2c(F)ccc(F)c2F)cc[nH+]1 ZINC001175026002 977197149 /nfs/dbraw/zinc/19/71/49/977197149.db2.gz PYMDFLRNHCOEAW-UHFFFAOYSA-N 1 2 248.207 2.646 20 30 BFEDLO C#Cc1cc(Nc2cc(F)c(F)cc2F)cc[nH+]1 ZINC001175086535 977261955 /nfs/dbraw/zinc/26/19/55/977261955.db2.gz ZYUVQAWTRZUBAK-UHFFFAOYSA-N 1 2 248.207 2.646 20 30 BFEDLO C#Cc1ccccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175345171 977364572 /nfs/dbraw/zinc/36/45/72/977364572.db2.gz OBAJQEOGVAHCEI-UHFFFAOYSA-N 1 2 237.306 2.873 20 30 BFEDLO C#C[C@@H](CCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920809 977384275 /nfs/dbraw/zinc/38/42/75/977384275.db2.gz UVNMTGJQEGRIJL-ZDUSSCGKSA-N 1 2 243.306 2.548 20 30 BFEDLO C#CC[C@@H](CC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230922125 977385328 /nfs/dbraw/zinc/38/53/28/977385328.db2.gz ZLVNRFTZUGNCKN-CYBMUJFWSA-N 1 2 243.306 2.548 20 30 BFEDLO CC#C[C@H](CC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230921887 977385505 /nfs/dbraw/zinc/38/55/05/977385505.db2.gz UWJAXFPAYCZWQZ-ZDUSSCGKSA-N 1 2 243.306 2.548 20 30 BFEDLO CN(C)c1ccc(Nc2ccsc2C#N)c[nH+]1 ZINC001175341008 977387022 /nfs/dbraw/zinc/38/70/22/977387022.db2.gz MVUBSPKWXDKLIM-UHFFFAOYSA-N 1 2 244.323 2.824 20 30 BFEDLO C[C@@H](CS)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084119 977469261 /nfs/dbraw/zinc/46/92/61/977469261.db2.gz XARUTQMNLAPFEN-JTQLQIEISA-N 1 2 248.351 2.784 20 30 BFEDLO C#CC[C@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081786 977470411 /nfs/dbraw/zinc/47/04/11/977470411.db2.gz NCFFHWZIYQBIIG-NSHDSACASA-N 1 2 226.279 2.867 20 30 BFEDLO C=CCOc1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001231625189 977656357 /nfs/dbraw/zinc/65/63/57/977656357.db2.gz OYXVYXCLFVZYNR-CQSZACIVSA-N 1 2 242.322 2.597 20 30 BFEDLO C=CCOc1cccc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001231625189 977656362 /nfs/dbraw/zinc/65/63/62/977656362.db2.gz OYXVYXCLFVZYNR-CQSZACIVSA-N 1 2 242.322 2.597 20 30 BFEDLO C#Cc1cccc(Nc2[nH+]cccc2N(C)C)c1 ZINC001175973787 977844582 /nfs/dbraw/zinc/84/45/82/977844582.db2.gz DBTRJCQYJXHHPS-UHFFFAOYSA-N 1 2 237.306 2.873 20 30 BFEDLO Cc1cc(F)cc(N2CCC[C@@H](CC#N)C2)[nH+]1 ZINC001336681747 977852998 /nfs/dbraw/zinc/85/29/98/977852998.db2.gz KECZDDJNAKVWCJ-NSHDSACASA-N 1 2 233.290 2.659 20 30 BFEDLO COc1cc[nH+]cc1Nc1ccc(F)c(C#N)c1 ZINC001176120786 977952512 /nfs/dbraw/zinc/95/25/12/977952512.db2.gz LUOAEJHHLHBNIQ-UHFFFAOYSA-N 1 2 243.241 2.845 20 30 BFEDLO COc1cc[nH+]cc1Nc1ccc(C#N)cc1 ZINC001176121025 977954322 /nfs/dbraw/zinc/95/43/22/977954322.db2.gz DWQMAXQKFYSHFK-UHFFFAOYSA-N 1 2 225.251 2.705 20 30 BFEDLO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCC[C@@H]1C#N ZINC001336797888 977967607 /nfs/dbraw/zinc/96/76/07/977967607.db2.gz NIPWZOPMXUCNRI-ZWNOBZJWSA-N 1 2 245.351 2.744 20 30 BFEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCC[C@@H]1C#N ZINC001336797888 977967612 /nfs/dbraw/zinc/96/76/12/977967612.db2.gz NIPWZOPMXUCNRI-ZWNOBZJWSA-N 1 2 245.351 2.744 20 30 BFEDLO N#C[C@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC001232252616 977982222 /nfs/dbraw/zinc/98/22/22/977982222.db2.gz VEBBUUNEVVAOCP-GFCCVEGCSA-N 1 2 237.306 2.580 20 30 BFEDLO N#C[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001232252616 977982235 /nfs/dbraw/zinc/98/22/35/977982235.db2.gz VEBBUUNEVVAOCP-GFCCVEGCSA-N 1 2 237.306 2.580 20 30 BFEDLO CSc1ccc(C[NH+]2CCC(C#N)CC2)cn1 ZINC001232324865 978004662 /nfs/dbraw/zinc/00/46/62/978004662.db2.gz QFFBEESUOREIKB-UHFFFAOYSA-N 1 2 247.367 2.539 20 30 BFEDLO C#Cc1cc(NC=Cc2ccc(C)cc2)cc[nH+]1 ZINC001176424168 978086324 /nfs/dbraw/zinc/08/63/24/978086324.db2.gz LNDUFXHOENNSJG-CSKARUKUSA-N 1 2 234.302 2.876 20 30 BFEDLO C#Cc1cc(Nc2cc(O)cc(Cl)c2)cc[nH+]1 ZINC001176620894 978140617 /nfs/dbraw/zinc/14/06/17/978140617.db2.gz PXHUDILCWGOTGZ-UHFFFAOYSA-N 1 2 244.681 2.587 20 30 BFEDLO C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)[C@H]1C ZINC001232680163 978248867 /nfs/dbraw/zinc/24/88/67/978248867.db2.gz YSJGOOWAIIJGLX-NEPJUHHUSA-N 1 2 244.338 2.884 20 30 BFEDLO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)[C@H]1C ZINC001232680163 978248877 /nfs/dbraw/zinc/24/88/77/978248877.db2.gz YSJGOOWAIIJGLX-NEPJUHHUSA-N 1 2 244.338 2.884 20 30 BFEDLO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(C#N)c1 ZINC001232964247 978360366 /nfs/dbraw/zinc/36/03/66/978360366.db2.gz RWXUEAKGPZFFMJ-SOUVJXGZSA-N 1 2 244.313 2.657 20 30 BFEDLO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(C#N)c1 ZINC001232964247 978360378 /nfs/dbraw/zinc/36/03/78/978360378.db2.gz RWXUEAKGPZFFMJ-SOUVJXGZSA-N 1 2 244.313 2.657 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597811929 978375646 /nfs/dbraw/zinc/37/56/46/978375646.db2.gz MPYCMRBJPPVRJS-AWEZNQCLSA-N 1 2 249.358 2.752 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597811929 978375664 /nfs/dbraw/zinc/37/56/64/978375664.db2.gz MPYCMRBJPPVRJS-AWEZNQCLSA-N 1 2 249.358 2.752 20 30 BFEDLO CC[N@H+](Cc1cccs1)Cc1[nH]ccc1C#N ZINC001233048208 978434488 /nfs/dbraw/zinc/43/44/88/978434488.db2.gz YPBIXDZVPISZOR-UHFFFAOYSA-N 1 2 245.351 2.970 20 30 BFEDLO CC[N@@H+](Cc1cccs1)Cc1[nH]ccc1C#N ZINC001233048208 978434495 /nfs/dbraw/zinc/43/44/95/978434495.db2.gz YPBIXDZVPISZOR-UHFFFAOYSA-N 1 2 245.351 2.970 20 30 BFEDLO CCCC[N@H+](CC)Cc1ccc(C#N)cc1O ZINC001233383345 978593919 /nfs/dbraw/zinc/59/39/19/978593919.db2.gz FBUTXNNEMQLBMF-UHFFFAOYSA-N 1 2 232.327 2.886 20 30 BFEDLO CCCC[N@@H+](CC)Cc1ccc(C#N)cc1O ZINC001233383345 978593926 /nfs/dbraw/zinc/59/39/26/978593926.db2.gz FBUTXNNEMQLBMF-UHFFFAOYSA-N 1 2 232.327 2.886 20 30 BFEDLO CC[NH+]1CC(Oc2cccc(C#N)c2C(C)C)C1 ZINC001234854691 978919080 /nfs/dbraw/zinc/91/90/80/978919080.db2.gz QJUBTELRKLJVTD-UHFFFAOYSA-N 1 2 244.338 2.765 20 30 BFEDLO CCOc1cc(C[NH+]2CC(CC#N)C2)ccc1F ZINC001235796867 979151567 /nfs/dbraw/zinc/15/15/67/979151567.db2.gz WONUCMYFMIJFCD-UHFFFAOYSA-N 1 2 248.301 2.570 20 30 BFEDLO Nc1ccc(-c2cccc(CS)c2)c[nH+]1 ZINC001236315185 979529034 /nfs/dbraw/zinc/52/90/34/979529034.db2.gz DZSAEZCNWDCFAJ-UHFFFAOYSA-N 1 2 216.309 2.761 20 30 BFEDLO Cc1cc(CC#N)ccc1-c1ccc(N)[nH+]c1 ZINC001236318463 979532582 /nfs/dbraw/zinc/53/25/82/979532582.db2.gz XSCPHGLXNQCIQU-UHFFFAOYSA-N 1 2 223.279 2.705 20 30 BFEDLO COc1ccc(C#N)cc1-c1cccc2[nH+]ccn21 ZINC001236543216 979629632 /nfs/dbraw/zinc/62/96/32/979629632.db2.gz SQFUYDDYVXASJX-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1nccnc1Cl ZINC001236617159 979682157 /nfs/dbraw/zinc/68/21/57/979682157.db2.gz GKGPFLHEUDGBBZ-UHFFFAOYSA-N 1 2 225.723 2.528 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1nccnc1Cl ZINC001236617159 979682160 /nfs/dbraw/zinc/68/21/60/979682160.db2.gz GKGPFLHEUDGBBZ-UHFFFAOYSA-N 1 2 225.723 2.528 20 30 BFEDLO Cc1c(Cl)cccc1C[N@H+](C)CCC#N ZINC001237727429 980039553 /nfs/dbraw/zinc/03/95/53/980039553.db2.gz BKDLXKUAQVWTDF-UHFFFAOYSA-N 1 2 222.719 2.994 20 30 BFEDLO Cc1c(Cl)cccc1C[N@@H+](C)CCC#N ZINC001237727429 980039559 /nfs/dbraw/zinc/03/95/59/980039559.db2.gz BKDLXKUAQVWTDF-UHFFFAOYSA-N 1 2 222.719 2.994 20 30 BFEDLO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C#N)C2)c1O ZINC001238069861 980136106 /nfs/dbraw/zinc/13/61/06/980136106.db2.gz KSVKZWACOLBUKR-NSHDSACASA-N 1 2 248.301 2.575 20 30 BFEDLO Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C#N)C2)c1O ZINC001238069861 980136108 /nfs/dbraw/zinc/13/61/08/980136108.db2.gz KSVKZWACOLBUKR-NSHDSACASA-N 1 2 248.301 2.575 20 30 BFEDLO C#CC[N@@H+](C)Cc1cc(Cl)c(OC)cc1F ZINC001238792292 980325326 /nfs/dbraw/zinc/32/53/26/980325326.db2.gz HOLSQQPWECBPHQ-UHFFFAOYSA-N 1 2 241.693 2.553 20 30 BFEDLO C#CC[N@H+](C)Cc1cc(Cl)c(OC)cc1F ZINC001238792292 980325332 /nfs/dbraw/zinc/32/53/32/980325332.db2.gz HOLSQQPWECBPHQ-UHFFFAOYSA-N 1 2 241.693 2.553 20 30 BFEDLO Cc1noc(Nc2cc(C)c[nH+]c2C)c1C#N ZINC001203654064 980475015 /nfs/dbraw/zinc/47/50/15/980475015.db2.gz BWLKYNSOCSSYDX-UHFFFAOYSA-N 1 2 228.255 2.610 20 30 BFEDLO Cc1cc(-c2cc(F)c(C#N)c(F)c2)c[nH+]c1N ZINC001239927629 981035069 /nfs/dbraw/zinc/03/50/69/981035069.db2.gz MOADMHFYOONXIA-UHFFFAOYSA-N 1 2 245.232 2.789 20 30 BFEDLO Cc1cc(C)c(C#N)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240495972 981414929 /nfs/dbraw/zinc/41/49/29/981414929.db2.gz DSQSSBCCFKISRC-UHFFFAOYSA-N 1 2 248.289 2.885 20 30 BFEDLO Cc1cc(-c2ccn3cc[nH+]c3c2)ncc1C#N ZINC001240496010 981416232 /nfs/dbraw/zinc/41/62/32/981416232.db2.gz CJNDSTLYDGLRQC-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO ON=Cc1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001240517814 981446187 /nfs/dbraw/zinc/44/61/87/981446187.db2.gz HJEKOCQKQCMWNG-UHFFFAOYSA-N 1 2 237.262 2.809 20 30 BFEDLO O=C1C=C2C[N@@H+](C[C@@H]3CC=CCC3)CC[C@H]2S1 ZINC001201408331 983207507 /nfs/dbraw/zinc/20/75/07/983207507.db2.gz DAVMQVDHWBZGJK-DGCLKSJQSA-N 1 2 249.379 2.617 20 30 BFEDLO O=C1C=C2C[N@H+](C[C@@H]3CC=CCC3)CC[C@H]2S1 ZINC001201408331 983207514 /nfs/dbraw/zinc/20/75/14/983207514.db2.gz DAVMQVDHWBZGJK-DGCLKSJQSA-N 1 2 249.379 2.617 20 30 BFEDLO COc1cccc(-c2cccc3[nH+]ccn32)c1C#N ZINC001242298867 983524973 /nfs/dbraw/zinc/52/49/73/983524973.db2.gz USLRHVGNLSMNCJ-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO C=C[C@@](C)(O)CNc1ccc([NH+]2CCCC2)cc1 ZINC001252539492 983805013 /nfs/dbraw/zinc/80/50/13/983805013.db2.gz VHIGZTHGIDRMSU-OAHLLOKOSA-N 1 2 246.354 2.636 20 30 BFEDLO C=C[C@@](C)(O)CNc1cc(C)c2ccccc2[nH+]1 ZINC001252543426 983810231 /nfs/dbraw/zinc/81/02/31/983810231.db2.gz PSNKRKMBXCYPRJ-OAHLLOKOSA-N 1 2 242.322 2.892 20 30 BFEDLO Cc1ccc(C#N)cc1-c1c[nH+]c2c(c1)CCCN2 ZINC001242544563 983864596 /nfs/dbraw/zinc/86/45/96/983864596.db2.gz OXAIBTFMXLWFCT-UHFFFAOYSA-N 1 2 249.317 2.930 20 30 BFEDLO C[C@@H]1CC(=O)C=C(c2ccc3[nH+]ccn3c2)C1 ZINC001242739930 984088311 /nfs/dbraw/zinc/08/83/11/984088311.db2.gz SPGUURJRSMLBRZ-JTQLQIEISA-N 1 2 226.279 2.717 20 30 BFEDLO Cc1ccc(-c2c[nH+]cn2C)c(C)c1C#N ZINC001243071457 984498023 /nfs/dbraw/zinc/49/80/23/984498023.db2.gz SOTZUYHWLUDPQU-UHFFFAOYSA-N 1 2 211.268 2.576 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000932147206 985012545 /nfs/dbraw/zinc/01/25/45/985012545.db2.gz BFPHSHBTFVLLHC-ZDUSSCGKSA-N 1 2 232.302 2.604 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000932147206 985012553 /nfs/dbraw/zinc/01/25/53/985012553.db2.gz BFPHSHBTFVLLHC-ZDUSSCGKSA-N 1 2 232.302 2.604 20 30 BFEDLO N#Cc1cc2[nH]ccc2c(-c2ccc[nH+]c2N)c1 ZINC001243473320 985021471 /nfs/dbraw/zinc/02/14/71/985021471.db2.gz KNDGQLGOVZYWDL-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO N#CC1(c2cccc(-c3ccc[nH+]c3N)c2)CC1 ZINC001243474540 985030086 /nfs/dbraw/zinc/03/00/86/985030086.db2.gz NKBNEXQGACWABF-UHFFFAOYSA-N 1 2 235.290 2.886 20 30 BFEDLO N#CCc1c(F)cccc1-c1ccc[nH+]c1N ZINC001243476908 985035486 /nfs/dbraw/zinc/03/54/86/985035486.db2.gz FPVSOUVBXJEOJH-UHFFFAOYSA-N 1 2 227.242 2.536 20 30 BFEDLO C#CCCCCC[N@@H+](CC(F)F)C1CC1 ZINC000686683335 985201142 /nfs/dbraw/zinc/20/11/42/985201142.db2.gz XFWNPRHAIJMNLR-UHFFFAOYSA-N 1 2 215.287 2.910 20 30 BFEDLO C#CCCCCC[N@H+](CC(F)F)C1CC1 ZINC000686683335 985201151 /nfs/dbraw/zinc/20/11/51/985201151.db2.gz XFWNPRHAIJMNLR-UHFFFAOYSA-N 1 2 215.287 2.910 20 30 BFEDLO N#C[C@@H]1CC=C(Nc2ccn3cc[nH+]c3c2)CC1 ZINC001212859898 985275172 /nfs/dbraw/zinc/27/51/72/985275172.db2.gz VOWGKQABQFDSOV-LLVKDONJSA-N 1 2 238.294 2.954 20 30 BFEDLO N#C[C@H]1CC=C(c2nc3[nH]ccc3c[nH+]2)CC1 ZINC001243787518 985339318 /nfs/dbraw/zinc/33/93/18/985339318.db2.gz TZVKRHCYTJPHLV-VIFPVBQESA-N 1 2 224.267 2.617 20 30 BFEDLO N#C[C@@H]1CC=C(c2ccn3cc(N)[nH+]c3c2)CC1 ZINC001243798039 985363849 /nfs/dbraw/zinc/36/38/49/985363849.db2.gz NRUSYZFZDYSXAR-SNVBAGLBSA-N 1 2 238.294 2.624 20 30 BFEDLO Cc1cc(-c2ccc(N)c(C#N)c2)c(C)c[nH+]1 ZINC001244115162 985827239 /nfs/dbraw/zinc/82/72/39/985827239.db2.gz RSYORMSHQIGVOR-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO C=C[C@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC001253572021 986093439 /nfs/dbraw/zinc/09/34/39/986093439.db2.gz JUEMMQDYUHLRDT-VIFPVBQESA-N 1 2 248.713 2.847 20 30 BFEDLO CNc1cc(-c2ccccc2C=NO)cc[nH+]1 ZINC001244977492 986567004 /nfs/dbraw/zinc/56/70/04/986567004.db2.gz HJWVRZUVEUKXBT-UHFFFAOYSA-N 1 2 227.267 2.598 20 30 BFEDLO CC[C@H](CC#N)[NH2+][C@@H](c1cccnc1F)C1CC1 ZINC001255162702 986835324 /nfs/dbraw/zinc/83/53/24/986835324.db2.gz XJLFBEGKRPNYRN-DGCLKSJQSA-N 1 2 247.317 2.954 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@@H](c1cccnc1F)C1CC1 ZINC001255162703 986836344 /nfs/dbraw/zinc/83/63/44/986836344.db2.gz XJLFBEGKRPNYRN-WCQYABFASA-N 1 2 247.317 2.954 20 30 BFEDLO CN(C)c1cc(-c2ccc(C#N)cc2)cc[nH+]1 ZINC001245496306 986863405 /nfs/dbraw/zinc/86/34/05/986863405.db2.gz RFTISCBXUNNYMK-UHFFFAOYSA-N 1 2 223.279 2.686 20 30 BFEDLO Cc1cc(-c2ccc(CC#N)cc2)c[nH+]c1N ZINC001245536412 986914732 /nfs/dbraw/zinc/91/47/32/986914732.db2.gz KQEQPLQNIUUXDX-UHFFFAOYSA-N 1 2 223.279 2.705 20 30 BFEDLO Cc1cc(-c2cc(F)cc(CC#N)c2)c[nH+]c1N ZINC001245540768 986925789 /nfs/dbraw/zinc/92/57/89/986925789.db2.gz GVYRZWOYZCHVID-UHFFFAOYSA-N 1 2 241.269 2.844 20 30 BFEDLO CC[N@H+](Cc1ccoc1)Cc1cc(C#N)ccn1 ZINC001473142605 987347493 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/nfs/dbraw/zinc/27/99/48/989279948.db2.gz ZNPOFXGSPQIIMI-UHFFFAOYSA-N 1 2 214.312 2.521 20 30 BFEDLO C[N@@H+](CCC#N)Cc1cccc2c1CCC2 ZINC001249456631 989279958 /nfs/dbraw/zinc/27/99/58/989279958.db2.gz ZNPOFXGSPQIIMI-UHFFFAOYSA-N 1 2 214.312 2.521 20 30 BFEDLO N#C[C@H]1CC[N@@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249525425 989300090 /nfs/dbraw/zinc/30/00/90/989300090.db2.gz NGHFKVISSLBLJY-SNVBAGLBSA-N 1 2 243.285 2.652 20 30 BFEDLO N#C[C@H]1CC[N@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249525425 989300099 /nfs/dbraw/zinc/30/00/99/989300099.db2.gz NGHFKVISSLBLJY-SNVBAGLBSA-N 1 2 243.285 2.652 20 30 BFEDLO C[N@H+](CCC#N)Cc1cc(F)cc2cc[nH]c21 ZINC001249522335 989302218 /nfs/dbraw/zinc/30/22/18/989302218.db2.gz WVMJDYXCQLFSAL-UHFFFAOYSA-N 1 2 231.274 2.652 20 30 BFEDLO C[N@@H+](CCC#N)Cc1cc(F)cc2cc[nH]c21 ZINC001249522335 989302227 /nfs/dbraw/zinc/30/22/27/989302227.db2.gz WVMJDYXCQLFSAL-UHFFFAOYSA-N 1 2 231.274 2.652 20 30 BFEDLO COc1ccc(C[NH+]2CC3(CCC3)C2)c(C#N)c1 ZINC001137699374 990842437 /nfs/dbraw/zinc/84/24/37/990842437.db2.gz GJWKVJGJKPBWHR-UHFFFAOYSA-N 1 2 242.322 2.553 20 30 BFEDLO CCOc1ccc(C[N@@H+]2CC[C@H](C#N)C2)c(C)c1 ZINC001138436159 990949033 /nfs/dbraw/zinc/94/90/33/990949033.db2.gz VNTXWGYLQSCNHX-CYBMUJFWSA-N 1 2 244.338 2.739 20 30 BFEDLO CCOc1ccc(C[N@H+]2CC[C@H](C#N)C2)c(C)c1 ZINC001138436159 990949039 /nfs/dbraw/zinc/94/90/39/990949039.db2.gz VNTXWGYLQSCNHX-CYBMUJFWSA-N 1 2 244.338 2.739 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1c(C)nn(CC)c1C ZINC001138647013 990998151 /nfs/dbraw/zinc/99/81/51/990998151.db2.gz LANMWDIMQKOWGC-UHFFFAOYSA-N 1 2 248.374 2.646 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1c(C)nn(CC)c1C ZINC001138647013 990998157 /nfs/dbraw/zinc/99/81/57/990998157.db2.gz LANMWDIMQKOWGC-UHFFFAOYSA-N 1 2 248.374 2.646 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cnc2[nH]ccc2c1 ZINC001138741677 991027580 /nfs/dbraw/zinc/02/75/80/991027580.db2.gz ZNVBGCMFSWNJRZ-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cnc2[nH]ccc2c1 ZINC001138741677 991027589 /nfs/dbraw/zinc/02/75/89/991027589.db2.gz ZNVBGCMFSWNJRZ-UHFFFAOYSA-N 1 2 242.326 2.689 20 30 BFEDLO Cc1cc(CNc2ncccc2C#N)cc(C)[nH+]1 ZINC001559216088 991052922 /nfs/dbraw/zinc/05/29/22/991052922.db2.gz NSAJROWTMIIZNM-UHFFFAOYSA-N 1 2 238.294 2.577 20 30 BFEDLO CCCC[N@H+](CC#N)[C@H](C)CCSC ZINC001258226960 991159516 /nfs/dbraw/zinc/15/95/16/991159516.db2.gz UNFXJVYLXVEGCN-LLVKDONJSA-N 1 2 214.378 2.754 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@H](C)CCSC ZINC001258226960 991159523 /nfs/dbraw/zinc/15/95/23/991159523.db2.gz UNFXJVYLXVEGCN-LLVKDONJSA-N 1 2 214.378 2.754 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc2cccnc2c1 ZINC001139164621 991172567 /nfs/dbraw/zinc/17/25/67/991172567.db2.gz KUBGUZIDNDCFNO-UHFFFAOYSA-N 1 2 225.295 2.580 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc2cccnc2c1 ZINC001139164621 991172583 /nfs/dbraw/zinc/17/25/83/991172583.db2.gz KUBGUZIDNDCFNO-UHFFFAOYSA-N 1 2 225.295 2.580 20 30 BFEDLO COc1ccc(CC[C@H](C)[N@H+](C)[C@@H](C)C#N)cc1 ZINC001258405781 991345021 /nfs/dbraw/zinc/34/50/21/991345021.db2.gz KXBVTOCFWODXGZ-STQMWFEESA-N 1 2 246.354 2.860 20 30 BFEDLO COc1ccc(CC[C@H](C)[N@@H+](C)[C@@H](C)C#N)cc1 ZINC001258405781 991345023 /nfs/dbraw/zinc/34/50/23/991345023.db2.gz KXBVTOCFWODXGZ-STQMWFEESA-N 1 2 246.354 2.860 20 30 BFEDLO C[C@@H](CC1CC1)[NH2+]C1(C#N)CCCCC1 ZINC001258450044 991395741 /nfs/dbraw/zinc/39/57/41/991395741.db2.gz DKCSXQHLAIBJKQ-NSHDSACASA-N 1 2 206.333 2.991 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(C)nc1 ZINC001139932810 991424085 /nfs/dbraw/zinc/42/40/85/991424085.db2.gz QJUKWELYTVKGHR-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc(C)nc1 ZINC001139932810 991424089 /nfs/dbraw/zinc/42/40/89/991424089.db2.gz QJUKWELYTVKGHR-UHFFFAOYSA-N 1 2 217.316 2.516 20 30 BFEDLO CC[C@H](C)C[C@H](CC)[NH2+]C1(C#N)CCOCC1 ZINC001258785431 991758193 /nfs/dbraw/zinc/75/81/93/991758193.db2.gz GUNUJZFDQDVTEB-STQMWFEESA-N 1 2 238.375 2.864 20 30 BFEDLO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(C#N)CCOCC1 ZINC001258785427 991759288 /nfs/dbraw/zinc/75/92/88/991759288.db2.gz GUNUJZFDQDVTEB-CHWSQXEVSA-N 1 2 238.375 2.864 20 30 BFEDLO N#CCCCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319181905 991812909 /nfs/dbraw/zinc/81/29/09/991812909.db2.gz RLVOMPTWPFDEEM-UHFFFAOYSA-N 1 2 245.282 2.604 20 30 BFEDLO N#CCCCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319181905 991812911 /nfs/dbraw/zinc/81/29/11/991812911.db2.gz RLVOMPTWPFDEEM-UHFFFAOYSA-N 1 2 245.282 2.604 20 30 BFEDLO Cc1c[nH+]c2ccccc2c1NCC(C)(C)C#N ZINC001320084301 992100987 /nfs/dbraw/zinc/10/09/87/992100987.db2.gz LKZWKPRFBSBHGI-UHFFFAOYSA-N 1 2 239.322 2.927 20 30 BFEDLO C=CCO[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001320157682 992116928 /nfs/dbraw/zinc/11/69/28/992116928.db2.gz XMIAPWIVRUXJFZ-MBACFSSFSA-N 1 2 236.142 2.582 20 30 BFEDLO C=CCO[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001320157682 992116935 /nfs/dbraw/zinc/11/69/35/992116935.db2.gz XMIAPWIVRUXJFZ-MBACFSSFSA-N 1 2 236.142 2.582 20 30 BFEDLO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccn1 ZINC001262575208 992932441 /nfs/dbraw/zinc/93/24/41/992932441.db2.gz KMBWCSBDBLDXPE-QWHCGFSZSA-N 1 2 242.326 2.566 20 30 BFEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000393792058 994005732 /nfs/dbraw/zinc/00/57/32/994005732.db2.gz JXYWOWITXDQXEP-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000393792058 994005738 /nfs/dbraw/zinc/00/57/38/994005738.db2.gz JXYWOWITXDQXEP-IUCAKERBSA-N 1 2 220.238 2.563 20 30 BFEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000393792054 994007520 /nfs/dbraw/zinc/00/75/20/994007520.db2.gz JXYWOWITXDQXEP-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000393792054 994007528 /nfs/dbraw/zinc/00/75/28/994007528.db2.gz JXYWOWITXDQXEP-DTWKUNHWSA-N 1 2 220.238 2.563 20 30 BFEDLO Cc1n[nH]c(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000119170227 136212759 /nfs/dbraw/zinc/21/27/59/136212759.db2.gz QBMKZGIAFFTJLN-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO Cc1n[nH]c(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000119170227 136212760 /nfs/dbraw/zinc/21/27/60/136212760.db2.gz QBMKZGIAFFTJLN-UHFFFAOYSA-N 1 2 248.374 2.788 20 30 BFEDLO N#CCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341995841 136222547 /nfs/dbraw/zinc/22/25/47/136222547.db2.gz SGLHLXYXOAIJOV-UHFFFAOYSA-N 1 2 220.238 2.564 20 30 BFEDLO N#CC1(C[NH+]2CCC(CC(F)(F)F)CC2)CC1 ZINC000341999810 136222571 /nfs/dbraw/zinc/22/25/71/136222571.db2.gz YHUCDWNPBQJTSN-UHFFFAOYSA-N 1 2 246.276 2.955 20 30 BFEDLO CC[C@@H]1C[NH+](Cc2ccc(C#N)o2)C[C@@H](CC)O1 ZINC000421382691 192325602 /nfs/dbraw/zinc/32/56/02/192325602.db2.gz CAADJKWMDJMDOD-VXGBXAGGSA-N 1 2 248.326 2.541 20 30 BFEDLO N#CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000334872501 398236676 /nfs/dbraw/zinc/23/66/76/398236676.db2.gz MRQBHFJXBUTBPT-KGLIPLIRSA-N 1 2 214.312 2.826 20 30 BFEDLO CCc1nc(C[N@H+](C)[C@@H](C)CCC#N)cs1 ZINC000576484155 365608990 /nfs/dbraw/zinc/60/89/90/365608990.db2.gz AFAOSGDSQCBXRM-JTQLQIEISA-N 1 2 237.372 2.830 20 30 BFEDLO CCc1nc(C[N@@H+](C)[C@@H](C)CCC#N)cs1 ZINC000576484155 365608996 /nfs/dbraw/zinc/60/89/96/365608996.db2.gz AFAOSGDSQCBXRM-JTQLQIEISA-N 1 2 237.372 2.830 20 30 BFEDLO C=CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000185000209 136229376 /nfs/dbraw/zinc/22/93/76/136229376.db2.gz DEBYLONFCQKYNF-JSGCOSHPSA-N 1 2 247.338 2.763 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000185501771 136230423 /nfs/dbraw/zinc/23/04/23/136230423.db2.gz HRHZEJOCBFQRKT-JTQLQIEISA-N 1 2 218.300 2.931 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)CCc1cccc(F)c1F ZINC000343529574 136231168 /nfs/dbraw/zinc/23/11/68/136231168.db2.gz AEZMYPWWABLQGM-JTQLQIEISA-N 1 2 238.281 2.599 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)CCc1cccc(F)c1F ZINC000343529574 136231169 /nfs/dbraw/zinc/23/11/69/136231169.db2.gz AEZMYPWWABLQGM-JTQLQIEISA-N 1 2 238.281 2.599 20 30 BFEDLO N#CCC[N@@H+](Cc1cccc(F)c1N)CC1CC1 ZINC000602460737 349555870 /nfs/dbraw/zinc/55/58/70/349555870.db2.gz BTANOFOMUHNRFA-UHFFFAOYSA-N 1 2 247.317 2.534 20 30 BFEDLO N#CCC[N@H+](Cc1cccc(F)c1N)CC1CC1 ZINC000602460737 349555874 /nfs/dbraw/zinc/55/58/74/349555874.db2.gz BTANOFOMUHNRFA-UHFFFAOYSA-N 1 2 247.317 2.534 20 30 BFEDLO CCC[C@@H](C[N@H+](CC#N)C1CCCC1)OC ZINC000602477735 349564411 /nfs/dbraw/zinc/56/44/11/349564411.db2.gz LNYGWJIQFIFZMO-ZDUSSCGKSA-N 1 2 224.348 2.570 20 30 BFEDLO CCC[C@@H](C[N@@H+](CC#N)C1CCCC1)OC ZINC000602477735 349564414 /nfs/dbraw/zinc/56/44/14/349564414.db2.gz LNYGWJIQFIFZMO-ZDUSSCGKSA-N 1 2 224.348 2.570 20 30 BFEDLO C=C(C)C(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335609808 136236725 /nfs/dbraw/zinc/23/67/25/136236725.db2.gz IHVSAYHOXRNMDU-UHFFFAOYSA-N 1 2 243.310 2.875 20 30 BFEDLO COc1ccc(NC2CCC(C#N)CC2)[nH+]c1 ZINC000602568301 349619325 /nfs/dbraw/zinc/61/93/25/349619325.db2.gz JFHGMBGCLGZBTN-UHFFFAOYSA-N 1 2 231.299 2.584 20 30 BFEDLO Cc1[nH+]cccc1NC[C@H](C)CCC#N ZINC000602574326 349623098 /nfs/dbraw/zinc/62/30/98/349623098.db2.gz JDMKBFWFPNZDEB-SNVBAGLBSA-N 1 2 203.289 2.742 20 30 BFEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccccn1 ZINC000035125044 398302716 /nfs/dbraw/zinc/30/27/16/398302716.db2.gz LSOKQHGYJSIBFE-LBPRGKRZSA-N 1 2 237.306 2.804 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cccc(Cl)c1F ZINC000165016703 342868530 /nfs/dbraw/zinc/86/85/30/342868530.db2.gz RVZAFAMZERVIQZ-MRVPVSSYSA-N 1 2 226.682 2.871 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)cc1F ZINC000602610674 349634621 /nfs/dbraw/zinc/63/46/21/349634621.db2.gz ILMIJAXAOVXJBF-LBPRGKRZSA-N 1 2 220.291 2.916 20 30 BFEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)CC(F)(F)F ZINC000628154112 398336203 /nfs/dbraw/zinc/33/62/03/398336203.db2.gz NEFZEIGUNCFWSO-UHFFFAOYSA-N 1 2 247.264 2.577 20 30 BFEDLO N#CC1(C[NH2+]Cc2nc3ccccc3o2)CCC1 ZINC000602695281 349691551 /nfs/dbraw/zinc/69/15/51/349691551.db2.gz LISHHGWKJCUOFH-UHFFFAOYSA-N 1 2 241.294 2.611 20 30 BFEDLO CC1(C)CO[C@H](C[N@H+](CC#N)C2CCCC2)C1 ZINC000602783349 349748229 /nfs/dbraw/zinc/74/82/29/349748229.db2.gz YQVXMALNAUBKEG-ZDUSSCGKSA-N 1 2 236.359 2.570 20 30 BFEDLO CC1(C)CO[C@H](C[N@@H+](CC#N)C2CCCC2)C1 ZINC000602783349 349748230 /nfs/dbraw/zinc/74/82/30/349748230.db2.gz YQVXMALNAUBKEG-ZDUSSCGKSA-N 1 2 236.359 2.570 20 30 BFEDLO Cc1cc(C)c(C[N@@H+](C)[C@H](C)CC#N)c(C)n1 ZINC000602789802 349752477 /nfs/dbraw/zinc/75/24/77/349752477.db2.gz ZEAFNVLRIIVKTE-GFCCVEGCSA-N 1 2 231.343 2.741 20 30 BFEDLO Cc1cc(C)c(C[N@H+](C)[C@H](C)CC#N)c(C)n1 ZINC000602789802 349752479 /nfs/dbraw/zinc/75/24/79/349752479.db2.gz ZEAFNVLRIIVKTE-GFCCVEGCSA-N 1 2 231.343 2.741 20 30 BFEDLO C=C1CC[NH+](Cc2cc(C(=O)OCC)co2)CC1 ZINC000353663538 136265654 /nfs/dbraw/zinc/26/56/54/136265654.db2.gz VENHLFCTBXLMIC-UHFFFAOYSA-N 1 2 249.310 2.608 20 30 BFEDLO C=C[C@H](C)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000301610421 136264831 /nfs/dbraw/zinc/26/48/31/136264831.db2.gz QNPZNMWZXUGWPV-JTQLQIEISA-N 1 2 240.310 2.833 20 30 BFEDLO Cc1[nH]c2ccc(NC(=O)CCCC#N)cc2[nH+]1 ZINC000359919225 136267896 /nfs/dbraw/zinc/26/78/96/136267896.db2.gz TWWALKMTNSKSEY-UHFFFAOYSA-N 1 2 242.282 2.504 20 30 BFEDLO CC1(C#N)CC[NH+](Cc2cccnc2Cl)CC1 ZINC000272634661 136282660 /nfs/dbraw/zinc/28/26/60/136282660.db2.gz WQBQREOCYDOPOQ-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)c(C)s1 ZINC000299251891 136291515 /nfs/dbraw/zinc/29/15/15/136291515.db2.gz ZBOKRLHYQWCGSW-VIFPVBQESA-N 1 2 222.357 2.956 20 30 BFEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)c(C)s1 ZINC000299251891 136291516 /nfs/dbraw/zinc/29/15/16/136291516.db2.gz ZBOKRLHYQWCGSW-VIFPVBQESA-N 1 2 222.357 2.956 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1F ZINC000134971714 343325152 /nfs/dbraw/zinc/32/51/52/343325152.db2.gz GVXLHCURZUZKTK-MRVPVSSYSA-N 1 2 226.682 2.871 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)C/C=C/c1ccccc1 ZINC000042461028 343438984 /nfs/dbraw/zinc/43/89/84/343438984.db2.gz LQGUANBPJMPLDM-YSKGHYERSA-N 1 2 214.312 2.791 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)C/C=C/c1ccccc1 ZINC000042461028 343438986 /nfs/dbraw/zinc/43/89/86/343438986.db2.gz LQGUANBPJMPLDM-YSKGHYERSA-N 1 2 214.312 2.791 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)C/C=C/c1ccccc1 ZINC000042461030 343439345 /nfs/dbraw/zinc/43/93/45/343439345.db2.gz LQGUANBPJMPLDM-PPGNKHEKSA-N 1 2 214.312 2.791 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C/c1ccccc1 ZINC000042461030 343439347 /nfs/dbraw/zinc/43/93/47/343439347.db2.gz LQGUANBPJMPLDM-PPGNKHEKSA-N 1 2 214.312 2.791 20 30 BFEDLO CC[N@H+](Cc1cccc2ncccc12)[C@@H](C)C#N ZINC000602904247 349817720 /nfs/dbraw/zinc/81/77/20/349817720.db2.gz VPXZJTLNPMYXRB-LBPRGKRZSA-N 1 2 239.322 2.969 20 30 BFEDLO CC[N@@H+](Cc1cccc2ncccc12)[C@@H](C)C#N ZINC000602904247 349817724 /nfs/dbraw/zinc/81/77/24/349817724.db2.gz VPXZJTLNPMYXRB-LBPRGKRZSA-N 1 2 239.322 2.969 20 30 BFEDLO CCc1nc(C)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000602982226 349833599 /nfs/dbraw/zinc/83/35/99/349833599.db2.gz PEYDDZGJTUOIIT-VXGBXAGGSA-N 1 2 247.342 2.670 20 30 BFEDLO CCc1nc(C)c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000602982226 349833601 /nfs/dbraw/zinc/83/36/01/349833601.db2.gz PEYDDZGJTUOIIT-VXGBXAGGSA-N 1 2 247.342 2.670 20 30 BFEDLO Cc1ncccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982753 349834897 /nfs/dbraw/zinc/83/48/97/349834897.db2.gz XSEYCRFGNVTFLB-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ncccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982753 349834900 /nfs/dbraw/zinc/83/49/00/349834900.db2.gz XSEYCRFGNVTFLB-GXTWGEPZSA-N 1 2 229.327 2.514 20 30 BFEDLO N#CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055472033 343670524 /nfs/dbraw/zinc/67/05/24/343670524.db2.gz UEVAMVNLQFXBHA-ZDUSSCGKSA-N 1 2 218.275 2.876 20 30 BFEDLO N#CCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055472033 343670526 /nfs/dbraw/zinc/67/05/26/343670526.db2.gz UEVAMVNLQFXBHA-ZDUSSCGKSA-N 1 2 218.275 2.876 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)cc1F ZINC000380139139 343682897 /nfs/dbraw/zinc/68/28/97/343682897.db2.gz VDUJSGDMRGTWLY-MRVPVSSYSA-N 1 2 226.682 2.871 20 30 BFEDLO C=C[C@@](C)(CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573533 192364249 /nfs/dbraw/zinc/36/42/49/192364249.db2.gz BAQCFDNBAFYHNY-HNNXBMFYSA-N 1 2 246.354 2.917 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000602979379 349844204 /nfs/dbraw/zinc/84/42/04/349844204.db2.gz COBSMTJLUHZFPQ-HIFRSBDPSA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000602979379 349844205 /nfs/dbraw/zinc/84/42/05/349844205.db2.gz COBSMTJLUHZFPQ-HIFRSBDPSA-N 1 2 243.354 2.823 20 30 BFEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000334321411 343868867 /nfs/dbraw/zinc/86/88/67/343868867.db2.gz WVNZLJNISYCLMW-CQSZACIVSA-N 1 2 248.301 2.501 20 30 BFEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000334321411 343868869 /nfs/dbraw/zinc/86/88/69/343868869.db2.gz WVNZLJNISYCLMW-CQSZACIVSA-N 1 2 248.301 2.501 20 30 BFEDLO N#Cc1csc(C[NH+]2CC(C3CCCC3)C2)n1 ZINC000334517472 343889492 /nfs/dbraw/zinc/88/94/92/343889492.db2.gz GORYBZDZKLLBQM-UHFFFAOYSA-N 1 2 247.367 2.637 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1cscc1Cl ZINC000393707412 343912437 /nfs/dbraw/zinc/91/24/37/343912437.db2.gz LRTLDZWYHIOXMW-ZETCQYMHSA-N 1 2 214.721 2.651 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000625701648 344052336 /nfs/dbraw/zinc/05/23/36/344052336.db2.gz BBUCXHDRFJOJIB-LLVKDONJSA-N 1 2 235.331 2.591 20 30 BFEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000625701648 344052338 /nfs/dbraw/zinc/05/23/38/344052338.db2.gz BBUCXHDRFJOJIB-LLVKDONJSA-N 1 2 235.331 2.591 20 30 BFEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(CCCC)n2)C1 ZINC000625701735 344052970 /nfs/dbraw/zinc/05/29/70/344052970.db2.gz CCJTXRLJWJKIKL-LBPRGKRZSA-N 1 2 249.358 2.810 20 30 BFEDLO C=CC[C@H]1CC[N@H+](Cc2noc(CCCC)n2)C1 ZINC000625701735 344052971 /nfs/dbraw/zinc/05/29/71/344052971.db2.gz CCJTXRLJWJKIKL-LBPRGKRZSA-N 1 2 249.358 2.810 20 30 BFEDLO Cc1nc(NCCCCC#N)c2c([nH+]1)CCCC2 ZINC000180434508 347028975 /nfs/dbraw/zinc/02/89/75/347028975.db2.gz ITFRZMCEWQDUET-UHFFFAOYSA-N 1 2 244.342 2.770 20 30 BFEDLO C=C[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000129264454 344211930 /nfs/dbraw/zinc/21/19/30/344211930.db2.gz HSWHVGSDCLFVNE-VIFPVBQESA-N 1 2 205.305 2.761 20 30 BFEDLO C=C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000130652978 344223368 /nfs/dbraw/zinc/22/33/68/344223368.db2.gz SPYFBLLRLYSHNX-SECBINFHSA-N 1 2 205.305 2.895 20 30 BFEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CCC#N)s1 ZINC000106876475 347037870 /nfs/dbraw/zinc/03/78/70/347037870.db2.gz HVUHZMZJKXIANT-VIFPVBQESA-N 1 2 223.345 2.666 20 30 BFEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CCC#N)s1 ZINC000106876475 347037873 /nfs/dbraw/zinc/03/78/73/347037873.db2.gz HVUHZMZJKXIANT-VIFPVBQESA-N 1 2 223.345 2.666 20 30 BFEDLO Cc1ncc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)s1 ZINC000400097423 344302985 /nfs/dbraw/zinc/30/29/85/344302985.db2.gz XFPRENHKZBSGSO-PWSUYJOCSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1ncc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)s1 ZINC000400097423 344302986 /nfs/dbraw/zinc/30/29/86/344302986.db2.gz XFPRENHKZBSGSO-PWSUYJOCSA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)ccn1 ZINC000600859732 344383228 /nfs/dbraw/zinc/38/32/28/344383228.db2.gz KUIMULKFMQGDIY-KBPBESRZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)ccn1 ZINC000600859732 344383230 /nfs/dbraw/zinc/38/32/30/344383230.db2.gz KUIMULKFMQGDIY-KBPBESRZSA-N 1 2 229.327 2.514 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1ccco1 ZINC000043419622 344505003 /nfs/dbraw/zinc/50/50/03/344505003.db2.gz QCCLDNBZGXTJRT-UHFFFAOYSA-N 1 2 206.289 2.651 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1ccco1 ZINC000043419622 344505006 /nfs/dbraw/zinc/50/50/06/344505006.db2.gz QCCLDNBZGXTJRT-UHFFFAOYSA-N 1 2 206.289 2.651 20 30 BFEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)s2)cs1 ZINC000135496979 344484101 /nfs/dbraw/zinc/48/41/01/344484101.db2.gz RKJMDELJHFZUNL-UHFFFAOYSA-N 1 2 249.364 2.675 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@H](C)c1c(F)cccc1F ZINC000263933915 344530625 /nfs/dbraw/zinc/53/06/25/344530625.db2.gz ZIYGBUFFIIPNGW-RKDXNWHRSA-N 1 2 224.254 2.918 20 30 BFEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)CCC#N)CCC2 ZINC000111313285 344587837 /nfs/dbraw/zinc/58/78/37/344587837.db2.gz GUCLVQUTZXLUAN-NSHDSACASA-N 1 2 235.356 2.674 20 30 BFEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCC#N)CCC2 ZINC000111313285 344587839 /nfs/dbraw/zinc/58/78/39/344587839.db2.gz GUCLVQUTZXLUAN-NSHDSACASA-N 1 2 235.356 2.674 20 30 BFEDLO C=CC[N@@H+](Cc1cc[nH]n1)Cc1cccs1 ZINC000119948054 344686177 /nfs/dbraw/zinc/68/61/77/344686177.db2.gz AADZQLIGULBPAR-UHFFFAOYSA-N 1 2 233.340 2.659 20 30 BFEDLO C=CC[N@H+](Cc1cc[nH]n1)Cc1cccs1 ZINC000119948054 344686179 /nfs/dbraw/zinc/68/61/79/344686179.db2.gz AADZQLIGULBPAR-UHFFFAOYSA-N 1 2 233.340 2.659 20 30 BFEDLO CCc1noc(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000119343160 344845606 /nfs/dbraw/zinc/84/56/06/344845606.db2.gz XVVVEICEQJKAIC-UHFFFAOYSA-N 1 2 247.342 2.671 20 30 BFEDLO CCc1noc(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000119343160 344845610 /nfs/dbraw/zinc/84/56/10/344845610.db2.gz XVVVEICEQJKAIC-UHFFFAOYSA-N 1 2 247.342 2.671 20 30 BFEDLO C=CC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120697997 344898637 /nfs/dbraw/zinc/89/86/37/344898637.db2.gz GTPAVAFUIBFXEQ-ZYHUDNBSSA-N 1 2 223.341 2.696 20 30 BFEDLO C=CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120697997 344898638 /nfs/dbraw/zinc/89/86/38/344898638.db2.gz GTPAVAFUIBFXEQ-ZYHUDNBSSA-N 1 2 223.341 2.696 20 30 BFEDLO C[N@@H+](Cc1cccc(F)c1)C[C@@H](C#N)CCC#N ZINC000121019463 344908181 /nfs/dbraw/zinc/90/81/81/344908181.db2.gz HCGAYPHGTIULHU-CYBMUJFWSA-N 1 2 245.301 2.701 20 30 BFEDLO C[N@H+](Cc1cccc(F)c1)C[C@@H](C#N)CCC#N ZINC000121019463 344908184 /nfs/dbraw/zinc/90/81/84/344908184.db2.gz HCGAYPHGTIULHU-CYBMUJFWSA-N 1 2 245.301 2.701 20 30 BFEDLO Cc1c[nH+]ccc1CCNc1ccc(C#N)cc1 ZINC000166707588 344970240 /nfs/dbraw/zinc/97/02/40/344970240.db2.gz YFWIZFLIJYPLQF-UHFFFAOYSA-N 1 2 237.306 2.916 20 30 BFEDLO C[C@@H](/[NH+]=C/c1ccccc1O)C1CCOCC1 ZINC000122894520 344978848 /nfs/dbraw/zinc/97/88/48/344978848.db2.gz CSRRQDCELNGQPB-HGLKBHAMSA-N 1 2 233.311 2.626 20 30 BFEDLO CC[C@H](C#N)Sc1[nH+]cc2ccccn21 ZINC000127227850 345166103 /nfs/dbraw/zinc/16/61/03/345166103.db2.gz LGRHNFZNIIBNIG-SNVBAGLBSA-N 1 2 217.297 2.729 20 30 BFEDLO Cc1cc(N2CC[C@H](CC3CC3)C2)c(C#N)c[nH+]1 ZINC000425271143 192087545 /nfs/dbraw/zinc/08/75/45/192087545.db2.gz UZTMWSMKCMGJOU-CYBMUJFWSA-N 1 2 241.338 2.888 20 30 BFEDLO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC#N)c1 ZINC000133628650 345380759 /nfs/dbraw/zinc/38/07/59/345380759.db2.gz JHQGLOBICNNDED-AWEZNQCLSA-N 1 2 214.312 2.964 20 30 BFEDLO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC#N)c1 ZINC000133628650 345380760 /nfs/dbraw/zinc/38/07/60/345380760.db2.gz JHQGLOBICNNDED-AWEZNQCLSA-N 1 2 214.312 2.964 20 30 BFEDLO N#CC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000135250239 345435965 /nfs/dbraw/zinc/43/59/65/345435965.db2.gz SBBNWQXOULHSMO-UHFFFAOYSA-N 1 2 247.367 2.756 20 30 BFEDLO N#CCCCCNc1cc[nH+]c2ccncc12 ZINC000085682804 345528695 /nfs/dbraw/zinc/52/86/95/345528695.db2.gz WNHULWQSFXVOLI-UHFFFAOYSA-N 1 2 226.283 2.736 20 30 BFEDLO CC#CC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000159824255 345559836 /nfs/dbraw/zinc/55/98/36/345559836.db2.gz ARBOGEOFAQJRAO-CYBMUJFWSA-N 1 2 242.347 2.845 20 30 BFEDLO Cc1nc(N[C@H](C)c2ccc(C#N)cc2)cc[nH+]1 ZINC000054935936 345772715 /nfs/dbraw/zinc/77/27/15/345772715.db2.gz XQOXNLWNLBHLKG-SNVBAGLBSA-N 1 2 238.294 2.830 20 30 BFEDLO C=CC[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635574946 345834013 /nfs/dbraw/zinc/83/40/13/345834013.db2.gz FVCONJDSXMYAHV-CHWSQXEVSA-N 1 2 249.358 2.551 20 30 BFEDLO C=CC[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635574950 345834193 /nfs/dbraw/zinc/83/41/93/345834193.db2.gz FVCONJDSXMYAHV-OLZOCXBDSA-N 1 2 249.358 2.551 20 30 BFEDLO N#CC[N@H+](CC1=CCCC1)C1CCCC1 ZINC000401039929 346037958 /nfs/dbraw/zinc/03/79/58/346037958.db2.gz QBOATBASAQOXOW-UHFFFAOYSA-N 1 2 204.317 2.865 20 30 BFEDLO N#CC[N@@H+](CC1=CCCC1)C1CCCC1 ZINC000401039929 346037963 /nfs/dbraw/zinc/03/79/63/346037963.db2.gz QBOATBASAQOXOW-UHFFFAOYSA-N 1 2 204.317 2.865 20 30 BFEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)cs1 ZINC000294965261 346329170 /nfs/dbraw/zinc/32/91/70/346329170.db2.gz WLKAUBOXEDFVDY-SECBINFHSA-N 1 2 208.330 2.648 20 30 BFEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)cs1 ZINC000294965261 346329173 /nfs/dbraw/zinc/32/91/73/346329173.db2.gz WLKAUBOXEDFVDY-SECBINFHSA-N 1 2 208.330 2.648 20 30 BFEDLO N#CCCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000601141357 346350637 /nfs/dbraw/zinc/35/06/37/346350637.db2.gz JWBGGPQYJQJJNJ-UHFFFAOYSA-N 1 2 241.298 2.503 20 30 BFEDLO Cc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1F ZINC000294633557 179068220 /nfs/dbraw/zinc/06/82/20/179068220.db2.gz APFPEXWMXZMFJD-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1cccc(C[N@H+](C)[C@H](C)CC#N)c1F ZINC000294633557 179068223 /nfs/dbraw/zinc/06/82/23/179068223.db2.gz APFPEXWMXZMFJD-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO CCc1nc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)cs1 ZINC000574929697 346417845 /nfs/dbraw/zinc/41/78/45/346417845.db2.gz OOKYTNGCWWFADE-JQWIXIFHSA-N 1 2 249.383 2.830 20 30 BFEDLO CCc1nc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cs1 ZINC000574929697 346417848 /nfs/dbraw/zinc/41/78/48/346417848.db2.gz OOKYTNGCWWFADE-JQWIXIFHSA-N 1 2 249.383 2.830 20 30 BFEDLO N#Cc1cc(Cl)ccc1COCc1[nH]cc[nH+]1 ZINC000186665713 346529027 /nfs/dbraw/zinc/52/90/27/346529027.db2.gz JYJKXJDISWWBJH-UHFFFAOYSA-N 1 2 247.685 2.652 20 30 BFEDLO C=CC[C@H](CO)CNc1[nH+]ccc(C)c1Cl ZINC000309613775 347122248 /nfs/dbraw/zinc/12/22/48/347122248.db2.gz AYBOAYUVKMRNFH-JTQLQIEISA-N 1 2 240.734 2.640 20 30 BFEDLO C=CC(C)(C)C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000419223533 192106062 /nfs/dbraw/zinc/10/60/62/192106062.db2.gz DFVUWRUVRDYTKY-ZDUSSCGKSA-N 1 2 247.338 2.703 20 30 BFEDLO Cc1cc(F)c(C[NH2+]C[C@@H](C)C#N)c(F)c1 ZINC000591837210 347703902 /nfs/dbraw/zinc/70/39/02/347703902.db2.gz PQDKRGNBDFWLSG-VIFPVBQESA-N 1 2 224.254 2.523 20 30 BFEDLO N#Cc1cnccc1C[N@@H+]1CCc2ccccc2C1 ZINC000592056015 347731846 /nfs/dbraw/zinc/73/18/46/347731846.db2.gz SADRHFSMIMOTOI-UHFFFAOYSA-N 1 2 249.317 2.512 20 30 BFEDLO N#Cc1cnccc1C[N@H+]1CCc2ccccc2C1 ZINC000592056015 347731849 /nfs/dbraw/zinc/73/18/49/347731849.db2.gz SADRHFSMIMOTOI-UHFFFAOYSA-N 1 2 249.317 2.512 20 30 BFEDLO CC1(CC(F)F)C[NH+](Cc2ccc(C#N)o2)C1 ZINC000592523505 347794982 /nfs/dbraw/zinc/79/49/82/347794982.db2.gz NNDZALTYJHCORC-UHFFFAOYSA-N 1 2 240.253 2.628 20 30 BFEDLO N#CC[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000593038517 347843186 /nfs/dbraw/zinc/84/31/86/347843186.db2.gz ZUVYEJVETDNWIO-UHFFFAOYSA-N 1 2 240.350 2.781 20 30 BFEDLO CC(C)(CC[NH+]1CC(C)(C#N)C1)C1CC1 ZINC000593980683 347986867 /nfs/dbraw/zinc/98/68/67/347986867.db2.gz MIMDSEUILLBCCT-UHFFFAOYSA-N 1 2 206.333 2.658 20 30 BFEDLO Cc1nocc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981755 348164453 /nfs/dbraw/zinc/16/44/53/348164453.db2.gz USWIUXJNDBWDFI-UHFFFAOYSA-N 1 2 233.315 2.547 20 30 BFEDLO CC[N@H+](C[C@@H]1CCOC1)[C@H](C#N)c1ccccc1 ZINC000595297782 348217106 /nfs/dbraw/zinc/21/71/06/348217106.db2.gz OQOAFEKQMKGNKW-DZGCQCFKSA-N 1 2 244.338 2.610 20 30 BFEDLO CC[N@@H+](C[C@@H]1CCOC1)[C@H](C#N)c1ccccc1 ZINC000595297782 348217109 /nfs/dbraw/zinc/21/71/09/348217109.db2.gz OQOAFEKQMKGNKW-DZGCQCFKSA-N 1 2 244.338 2.610 20 30 BFEDLO CC[C@H](CC(F)F)C[N@H+](CC#N)C1CC1 ZINC000595301703 348219820 /nfs/dbraw/zinc/21/98/20/348219820.db2.gz NHGIVYTYZHHBRL-SECBINFHSA-N 1 2 216.275 2.656 20 30 BFEDLO CC[C@H](CC(F)F)C[N@@H+](CC#N)C1CC1 ZINC000595301703 348219822 /nfs/dbraw/zinc/21/98/22/348219822.db2.gz NHGIVYTYZHHBRL-SECBINFHSA-N 1 2 216.275 2.656 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1nccn1C ZINC000595089972 348191193 /nfs/dbraw/zinc/19/11/93/348191193.db2.gz AZHCTUOMJSYKOB-GFCCVEGCSA-N 1 2 246.358 2.545 20 30 BFEDLO CO[C@@H]1CCC[N@@H+]([C@@H](C#N)c2ccccc2)CC1 ZINC000595426096 348246931 /nfs/dbraw/zinc/24/69/31/348246931.db2.gz PQHRVAXZOWAQJY-CABCVRRESA-N 1 2 244.338 2.752 20 30 BFEDLO CO[C@@H]1CCC[N@H+]([C@@H](C#N)c2ccccc2)CC1 ZINC000595426096 348246933 /nfs/dbraw/zinc/24/69/33/348246933.db2.gz PQHRVAXZOWAQJY-CABCVRRESA-N 1 2 244.338 2.752 20 30 BFEDLO C[C@H]1C[N@@H+]([C@@H](C#N)c2ccccc2)C[C@H]1C ZINC000595332510 348229210 /nfs/dbraw/zinc/22/92/10/348229210.db2.gz GPPMJPMFOSBVHH-SCRDCRAPSA-N 1 2 214.312 2.839 20 30 BFEDLO C[C@H]1C[N@H+]([C@@H](C#N)c2ccccc2)C[C@H]1C ZINC000595332510 348229211 /nfs/dbraw/zinc/22/92/11/348229211.db2.gz GPPMJPMFOSBVHH-SCRDCRAPSA-N 1 2 214.312 2.839 20 30 BFEDLO CSc1cccc(C[N@H+](C)CCC#N)c1 ZINC000595342695 348233612 /nfs/dbraw/zinc/23/36/12/348233612.db2.gz GFLMXPNSMWSCQT-UHFFFAOYSA-N 1 2 220.341 2.754 20 30 BFEDLO CSc1cccc(C[N@@H+](C)CCC#N)c1 ZINC000595342695 348233614 /nfs/dbraw/zinc/23/36/14/348233614.db2.gz GFLMXPNSMWSCQT-UHFFFAOYSA-N 1 2 220.341 2.754 20 30 BFEDLO CC(C)([NH2+]Cc1ccon1)c1cccc(C#N)c1 ZINC000595633181 348294103 /nfs/dbraw/zinc/29/41/03/348294103.db2.gz NFRXNQRQZJWRNA-UHFFFAOYSA-N 1 2 241.294 2.571 20 30 BFEDLO C[C@H](C#N)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000595721530 348327572 /nfs/dbraw/zinc/32/75/72/348327572.db2.gz SUMYAJUAGDNARH-LLVKDONJSA-N 1 2 219.332 2.693 20 30 BFEDLO C[C@H](C#N)[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000595721530 348327575 /nfs/dbraw/zinc/32/75/75/348327575.db2.gz SUMYAJUAGDNARH-LLVKDONJSA-N 1 2 219.332 2.693 20 30 BFEDLO CC[N@H+](CCCCCn1cc(C)cn1)[C@H](C)C#N ZINC000595812899 348352178 /nfs/dbraw/zinc/35/21/78/348352178.db2.gz JJHGZJHWGQGEHH-CQSZACIVSA-N 1 2 248.374 2.596 20 30 BFEDLO CC[N@@H+](CCCCCn1cc(C)cn1)[C@H](C)C#N ZINC000595812899 348352182 /nfs/dbraw/zinc/35/21/82/348352182.db2.gz JJHGZJHWGQGEHH-CQSZACIVSA-N 1 2 248.374 2.596 20 30 BFEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000595836416 348370134 /nfs/dbraw/zinc/37/01/34/348370134.db2.gz ZILLYYCHRCSPMK-ZDUSSCGKSA-N 1 2 218.275 2.561 20 30 BFEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000595836416 348370136 /nfs/dbraw/zinc/37/01/36/348370136.db2.gz ZILLYYCHRCSPMK-ZDUSSCGKSA-N 1 2 218.275 2.561 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842065 348378136 /nfs/dbraw/zinc/37/81/36/348378136.db2.gz BVFASHNKTYPTAV-DOMZBBRYSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842065 348378139 /nfs/dbraw/zinc/37/81/39/348378139.db2.gz BVFASHNKTYPTAV-DOMZBBRYSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842066 348378299 /nfs/dbraw/zinc/37/82/99/348378299.db2.gz BVFASHNKTYPTAV-IUODEOHRSA-N 1 2 239.322 2.855 20 30 BFEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842066 348378301 /nfs/dbraw/zinc/37/83/01/348378301.db2.gz BVFASHNKTYPTAV-IUODEOHRSA-N 1 2 239.322 2.855 20 30 BFEDLO CC[N@H+](C[C@H](OC)C1CCCCC1)[C@H](C)C#N ZINC000595820877 348362416 /nfs/dbraw/zinc/36/24/16/348362416.db2.gz YCBHSOXBRFPHLA-OCCSQVGLSA-N 1 2 238.375 2.816 20 30 BFEDLO CC[N@@H+](C[C@H](OC)C1CCCCC1)[C@H](C)C#N ZINC000595820877 348362419 /nfs/dbraw/zinc/36/24/19/348362419.db2.gz YCBHSOXBRFPHLA-OCCSQVGLSA-N 1 2 238.375 2.816 20 30 BFEDLO C=C[C@H]([NH2+]C[C@H](C)C1CCCCC1)C(=O)OC ZINC000596047858 348429425 /nfs/dbraw/zinc/42/94/25/348429425.db2.gz SJZDASQZGVWUDX-AAEUAGOBSA-N 1 2 239.359 2.520 20 30 BFEDLO C=CC[C@@H](CC)Nc1cc(CC(=O)OC)cc[nH+]1 ZINC000596221908 348470231 /nfs/dbraw/zinc/47/02/31/348470231.db2.gz GRUYEGHAYSKMKC-GFCCVEGCSA-N 1 2 248.326 2.564 20 30 BFEDLO C#CC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267351651 187398576 /nfs/dbraw/zinc/39/85/76/187398576.db2.gz NUSZYALMGYFUBZ-LBPRGKRZSA-N 1 2 205.688 2.720 20 30 BFEDLO C#CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000267351651 187398577 /nfs/dbraw/zinc/39/85/77/187398577.db2.gz NUSZYALMGYFUBZ-LBPRGKRZSA-N 1 2 205.688 2.720 20 30 BFEDLO C#CC[N@@H+](CC)Cc1coc(-c2ccccc2)n1 ZINC000267236008 187398867 /nfs/dbraw/zinc/39/88/67/187398867.db2.gz DJWODHMSQVGAKT-UHFFFAOYSA-N 1 2 240.306 2.797 20 30 BFEDLO C#CC[N@H+](CC)Cc1coc(-c2ccccc2)n1 ZINC000267236008 187398868 /nfs/dbraw/zinc/39/88/68/187398868.db2.gz DJWODHMSQVGAKT-UHFFFAOYSA-N 1 2 240.306 2.797 20 30 BFEDLO C=CCCSCCNc1cccc[nH+]1 ZINC000596413921 348538549 /nfs/dbraw/zinc/53/85/49/348538549.db2.gz ZQLJVTPOHGHFDB-UHFFFAOYSA-N 1 2 208.330 2.803 20 30 BFEDLO Cc1cc(N(C)C[C@H]2CC2(C)C)c(C#N)c[nH+]1 ZINC000596564207 348579469 /nfs/dbraw/zinc/57/94/69/348579469.db2.gz KRXDVMXGMCYOOA-GFCCVEGCSA-N 1 2 229.327 2.744 20 30 BFEDLO Cc1[nH+]ccc(N2CC[C@](C)(C#N)C2)c1Cl ZINC000596531969 348569527 /nfs/dbraw/zinc/56/95/27/348569527.db2.gz OZJIKKKNOSPNOC-GFCCVEGCSA-N 1 2 235.718 2.783 20 30 BFEDLO N#CCC1C[NH+](Cc2ccccc2Cl)C1 ZINC000597191259 348670951 /nfs/dbraw/zinc/67/09/51/348670951.db2.gz DGWQFMNTIHBKJZ-UHFFFAOYSA-N 1 2 220.703 2.685 20 30 BFEDLO CC(C)(C)c1ncc(C[NH+]2CC(CC#N)C2)s1 ZINC000597193540 348671165 /nfs/dbraw/zinc/67/11/65/348671165.db2.gz GIMYTZFIIAFXNA-UHFFFAOYSA-N 1 2 249.383 2.786 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119418521 348720945 /nfs/dbraw/zinc/72/09/45/348720945.db2.gz GZTNFHFLXURLBB-OAHLLOKOSA-N 1 2 247.338 2.645 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119418521 348720951 /nfs/dbraw/zinc/72/09/51/348720951.db2.gz GZTNFHFLXURLBB-OAHLLOKOSA-N 1 2 247.338 2.645 20 30 BFEDLO Cc1cc(C[NH+]2CC(CC#N)C2)ccc1Cl ZINC000597203534 348676862 /nfs/dbraw/zinc/67/68/62/348676862.db2.gz JXSCJYKHQYESJT-UHFFFAOYSA-N 1 2 234.730 2.994 20 30 BFEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)cc1Cl ZINC000597204223 348677605 /nfs/dbraw/zinc/67/76/05/348677605.db2.gz URFQSTQXVOGXPP-UHFFFAOYSA-N 1 2 234.730 2.994 20 30 BFEDLO N#CCC1C[NH+](Cc2sccc2Cl)C1 ZINC000597203906 348677862 /nfs/dbraw/zinc/67/78/62/348677862.db2.gz QOWJGPZWVMCHPU-UHFFFAOYSA-N 1 2 226.732 2.747 20 30 BFEDLO COc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1F ZINC000597232669 348699565 /nfs/dbraw/zinc/69/95/65/348699565.db2.gz VBVQMWICTDCKRG-CQSZACIVSA-N 1 2 248.301 2.570 20 30 BFEDLO COc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1F ZINC000597232669 348699570 /nfs/dbraw/zinc/69/95/70/348699570.db2.gz VBVQMWICTDCKRG-CQSZACIVSA-N 1 2 248.301 2.570 20 30 BFEDLO C=C(Br)C[NH+]1CCC(=C)CC1 ZINC000264494024 192373250 /nfs/dbraw/zinc/37/32/50/192373250.db2.gz BMURDIRLCTUCPK-UHFFFAOYSA-N 1 2 216.122 2.547 20 30 BFEDLO CC1(C)CCC[N@H+](C[C@H]2CCCCO2)[C@@H]1C#N ZINC000334695401 348954101 /nfs/dbraw/zinc/95/41/01/348954101.db2.gz CCEXGLSDUVEWAZ-CHWSQXEVSA-N 1 2 236.359 2.570 20 30 BFEDLO CC1(C)CCC[N@@H+](C[C@H]2CCCCO2)[C@@H]1C#N ZINC000334695401 348954106 /nfs/dbraw/zinc/95/41/06/348954106.db2.gz CCEXGLSDUVEWAZ-CHWSQXEVSA-N 1 2 236.359 2.570 20 30 BFEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000598624753 349003452 /nfs/dbraw/zinc/00/34/52/349003452.db2.gz GPORPXWEDGJYKI-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO N#CC[C@@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000598624753 349003456 /nfs/dbraw/zinc/00/34/56/349003456.db2.gz GPORPXWEDGJYKI-NSHDSACASA-N 1 2 249.745 2.861 20 30 BFEDLO CCC(F)(F)C[NH2+]Cc1cc(C#N)cs1 ZINC000598996869 349073505 /nfs/dbraw/zinc/07/35/05/349073505.db2.gz PZHWFKPFHFQCPC-UHFFFAOYSA-N 1 2 230.283 2.755 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1C#N ZINC000599310868 349144390 /nfs/dbraw/zinc/14/43/90/349144390.db2.gz GLPQKJYIJKGOHV-GFCCVEGCSA-N 1 2 227.311 2.601 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1C#N ZINC000599310868 349144391 /nfs/dbraw/zinc/14/43/91/349144391.db2.gz GLPQKJYIJKGOHV-GFCCVEGCSA-N 1 2 227.311 2.601 20 30 BFEDLO C=C(CC)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599647901 349233880 /nfs/dbraw/zinc/23/38/80/349233880.db2.gz FFWCZMUAIGNTPE-UHFFFAOYSA-N 1 2 227.348 2.663 20 30 BFEDLO C[C@@H](C#N)[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC000599469315 349193438 /nfs/dbraw/zinc/19/34/38/349193438.db2.gz CWQYSRRDVMUJCS-JTQLQIEISA-N 1 2 206.333 2.799 20 30 BFEDLO C[C@@H](C#N)[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC000599469315 349193440 /nfs/dbraw/zinc/19/34/40/349193440.db2.gz CWQYSRRDVMUJCS-JTQLQIEISA-N 1 2 206.333 2.799 20 30 BFEDLO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1nc(C#N)cs1 ZINC000599672615 349241008 /nfs/dbraw/zinc/24/10/08/349241008.db2.gz XVNVVWBBTFUJEL-GWCFXTLKSA-N 1 2 247.367 2.779 20 30 BFEDLO C[C@]12CCCC[C@H]1C[N@H+]2Cc1nc(C#N)cs1 ZINC000599672615 349241012 /nfs/dbraw/zinc/24/10/12/349241012.db2.gz XVNVVWBBTFUJEL-GWCFXTLKSA-N 1 2 247.367 2.779 20 30 BFEDLO Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)c[nH+]1 ZINC000185861145 349375227 /nfs/dbraw/zinc/37/52/27/349375227.db2.gz MFTOOVIXFQYKDQ-RYUDHWBXSA-N 1 2 215.300 2.884 20 30 BFEDLO Cc1[nH+]cccc1NCc1ccc(C#N)cc1 ZINC000091495828 180226216 /nfs/dbraw/zinc/22/62/16/180226216.db2.gz JYWHSJQUQWDWQJ-UHFFFAOYSA-N 1 2 223.279 2.874 20 30 BFEDLO CC(C)C[N@H+](C)[C@H](C#N)c1ccccc1 ZINC000041211300 350577999 /nfs/dbraw/zinc/57/79/99/350577999.db2.gz LUHFVMBQESEQQS-CYBMUJFWSA-N 1 2 202.301 2.839 20 30 BFEDLO CC(C)C[N@@H+](C)[C@H](C#N)c1ccccc1 ZINC000041211300 350578000 /nfs/dbraw/zinc/57/80/00/350578000.db2.gz LUHFVMBQESEQQS-CYBMUJFWSA-N 1 2 202.301 2.839 20 30 BFEDLO C=C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000304226588 350761835 /nfs/dbraw/zinc/76/18/35/350761835.db2.gz ZQVGXZJEOQOWLZ-AGIUHOORSA-N 1 2 239.359 2.520 20 30 BFEDLO CC#CC[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000339757416 350817510 /nfs/dbraw/zinc/81/75/10/350817510.db2.gz RACQZHQMBAEMMT-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000339757416 350817512 /nfs/dbraw/zinc/81/75/12/350817512.db2.gz RACQZHQMBAEMMT-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO C=CC(C)(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000628312057 350813071 /nfs/dbraw/zinc/81/30/71/350813071.db2.gz MOOVTBVOYMXAAO-LBPRGKRZSA-N 1 2 249.358 2.553 20 30 BFEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)(F)F ZINC000389455555 350947785 /nfs/dbraw/zinc/94/77/85/350947785.db2.gz XQFHRCRBQZKHSX-ZETCQYMHSA-N 1 2 230.283 2.753 20 30 BFEDLO C=CC[NH+](CC=C)Cc1nnc(-c2ccco2)o1 ZINC000052868095 351074447 /nfs/dbraw/zinc/07/44/47/351074447.db2.gz GVCOEQNDFBNRKR-UHFFFAOYSA-N 1 2 245.282 2.504 20 30 BFEDLO Cc1nc(C[NH2+]Cc2cc(C#N)cs2)cs1 ZINC000086500196 351165739 /nfs/dbraw/zinc/16/57/39/351165739.db2.gz NYHTYJZLKYUPHL-UHFFFAOYSA-N 1 2 249.364 2.675 20 30 BFEDLO CCCn1nc(C)c(C[N@H+](C)C[C@@H](C)C#N)c1C ZINC000271125808 351403120 /nfs/dbraw/zinc/40/31/20/351403120.db2.gz KVUIUZVNUISLMB-NSHDSACASA-N 1 2 248.374 2.501 20 30 BFEDLO CCCn1nc(C)c(C[N@@H+](C)C[C@@H](C)C#N)c1C ZINC000271125808 351403124 /nfs/dbraw/zinc/40/31/24/351403124.db2.gz KVUIUZVNUISLMB-NSHDSACASA-N 1 2 248.374 2.501 20 30 BFEDLO C[C@@H]1C[C@@H](C/[NH+]=C/c2ccccc2O)CCO1 ZINC000271260111 351409979 /nfs/dbraw/zinc/40/99/79/351409979.db2.gz IKQNXEJPHUOTSK-HTIZXDQJSA-N 1 2 233.311 2.626 20 30 BFEDLO C[C@H]1C[C@H](C/[NH+]=C/c2ccccc2O)CCO1 ZINC000271260115 351410322 /nfs/dbraw/zinc/41/03/22/351410322.db2.gz IKQNXEJPHUOTSK-XFEZRSPJSA-N 1 2 233.311 2.626 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000274304024 351566815 /nfs/dbraw/zinc/56/68/15/351566815.db2.gz RGUXDKCWQJMPLX-WZRBSPASSA-N 1 2 232.327 2.994 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000274304024 351566820 /nfs/dbraw/zinc/56/68/20/351566820.db2.gz RGUXDKCWQJMPLX-WZRBSPASSA-N 1 2 232.327 2.994 20 30 BFEDLO C=C(CC)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405050695 351558502 /nfs/dbraw/zinc/55/85/02/351558502.db2.gz JIXCLWCGJIWKRQ-UHFFFAOYSA-N 1 2 212.296 2.840 20 30 BFEDLO C=C(CC)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405050695 351558503 /nfs/dbraw/zinc/55/85/03/351558503.db2.gz JIXCLWCGJIWKRQ-UHFFFAOYSA-N 1 2 212.296 2.840 20 30 BFEDLO Cc1c[nH+]c(C)nc1N1CCC(CCC#N)CC1 ZINC000577768978 366059370 /nfs/dbraw/zinc/05/93/70/366059370.db2.gz YTKWPAHGUJAWAX-UHFFFAOYSA-N 1 2 244.342 2.614 20 30 BFEDLO N#CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000285385275 352040890 /nfs/dbraw/zinc/04/08/90/352040890.db2.gz HAKNBEQMMWVTMG-KFWWJZLASA-N 1 2 226.323 2.778 20 30 BFEDLO N#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000285385275 352040894 /nfs/dbraw/zinc/04/08/94/352040894.db2.gz HAKNBEQMMWVTMG-KFWWJZLASA-N 1 2 226.323 2.778 20 30 BFEDLO N#CCC[N@@H+](CCCCF)Cc1ccccn1 ZINC000286456704 352089529 /nfs/dbraw/zinc/08/95/29/352089529.db2.gz OLQJXKIKSXUOJA-UHFFFAOYSA-N 1 2 235.306 2.547 20 30 BFEDLO N#CCC[N@H+](CCCCF)Cc1ccccn1 ZINC000286456704 352089533 /nfs/dbraw/zinc/08/95/33/352089533.db2.gz OLQJXKIKSXUOJA-UHFFFAOYSA-N 1 2 235.306 2.547 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCCOc1ccccc1 ZINC000292116836 352303383 /nfs/dbraw/zinc/30/33/83/352303383.db2.gz HPWVUXLFRNMVTI-UHFFFAOYSA-N 1 2 244.338 2.857 20 30 BFEDLO C=CC[N@H+](CCC#N)CCCOc1ccccc1 ZINC000292116836 352303387 /nfs/dbraw/zinc/30/33/87/352303387.db2.gz HPWVUXLFRNMVTI-UHFFFAOYSA-N 1 2 244.338 2.857 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(F)F ZINC000389482095 352351371 /nfs/dbraw/zinc/35/13/71/352351371.db2.gz WLOPLPCTRNEVQD-SECBINFHSA-N 1 2 224.254 2.692 20 30 BFEDLO C#CCCCSc1[nH+]cc2ccccn21 ZINC000270890339 188090518 /nfs/dbraw/zinc/09/05/18/188090518.db2.gz RBISJPBGRSHNNW-UHFFFAOYSA-N 1 2 216.309 2.840 20 30 BFEDLO C=CCSCCNc1cc[nH+]c(C2CC2)n1 ZINC000264861896 188087621 /nfs/dbraw/zinc/08/76/21/188087621.db2.gz MFYYLJAFIQYBMH-UHFFFAOYSA-N 1 2 235.356 2.685 20 30 BFEDLO C=CCCCCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000279710405 538110220 /nfs/dbraw/zinc/11/02/20/538110220.db2.gz AISPRZCCKUYTIS-UHFFFAOYSA-N 1 2 249.358 2.547 20 30 BFEDLO C=CCCCCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC000279710405 538110221 /nfs/dbraw/zinc/11/02/21/538110221.db2.gz AISPRZCCKUYTIS-UHFFFAOYSA-N 1 2 249.358 2.547 20 30 BFEDLO N#CCCCSc1[nH+]cc2ccccn21 ZINC000097602106 188148588 /nfs/dbraw/zinc/14/85/88/188148588.db2.gz AMANWQVURBKIAF-UHFFFAOYSA-N 1 2 217.297 2.730 20 30 BFEDLO C=CC[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000121540276 324016497 /nfs/dbraw/zinc/01/64/97/324016497.db2.gz WDNPOSJCZGRONH-UHFFFAOYSA-N 1 2 210.346 2.884 20 30 BFEDLO C=CC[N@H+](C)Cc1csc(C(C)C)n1 ZINC000121540276 324016498 /nfs/dbraw/zinc/01/64/98/324016498.db2.gz WDNPOSJCZGRONH-UHFFFAOYSA-N 1 2 210.346 2.884 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284299144 353510588 /nfs/dbraw/zinc/51/05/88/353510588.db2.gz IRPWZMQONNYCHK-LBPRGKRZSA-N 1 2 246.358 2.556 20 30 BFEDLO C=CCCCCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000287531447 353578513 /nfs/dbraw/zinc/57/85/13/353578513.db2.gz IDJPWOLWTRHZON-UHFFFAOYSA-N 1 2 249.358 2.547 20 30 BFEDLO C=C(C)C[C@@H](C)C(=O)OCc1c[nH+]ccc1OC ZINC000287207344 353573012 /nfs/dbraw/zinc/57/30/12/353573012.db2.gz NJQFNBYIZBHDSJ-LLVKDONJSA-N 1 2 249.310 2.736 20 30 BFEDLO C#C[C@H](C)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000289319117 353622697 /nfs/dbraw/zinc/62/26/97/353622697.db2.gz FNDRYOVJDYYRAZ-WCQYABFASA-N 1 2 237.293 2.864 20 30 BFEDLO C#C[C@H]([NH2+]Cc1cccc(Cl)c1O)C(C)C ZINC000289400523 353628290 /nfs/dbraw/zinc/62/82/90/353628290.db2.gz OOIHQUQXUZBXBT-LBPRGKRZSA-N 1 2 237.730 2.793 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)c(F)cc1F ZINC000184083658 353614968 /nfs/dbraw/zinc/61/49/68/353614968.db2.gz GYVLGWXCSBHSMX-SECBINFHSA-N 1 2 242.244 2.886 20 30 BFEDLO C=C[C@H](CO)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000291224723 353682818 /nfs/dbraw/zinc/68/28/18/353682818.db2.gz WEBOKFJIUQJKJY-LLVKDONJSA-N 1 2 249.358 2.682 20 30 BFEDLO C=CCC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000293619923 353750452 /nfs/dbraw/zinc/75/04/52/353750452.db2.gz GZKCBPFIPVWSHQ-UHFFFAOYSA-N 1 2 218.300 2.931 20 30 BFEDLO C=CC[N@@H+](Cc1cc(F)ncc1F)C1CC1 ZINC000295390071 353805038 /nfs/dbraw/zinc/80/50/38/353805038.db2.gz LFWXOGUDBBJQBA-UHFFFAOYSA-N 1 2 224.254 2.510 20 30 BFEDLO C=CC[N@H+](Cc1cc(F)ncc1F)C1CC1 ZINC000295390071 353805040 /nfs/dbraw/zinc/80/50/40/353805040.db2.gz LFWXOGUDBBJQBA-UHFFFAOYSA-N 1 2 224.254 2.510 20 30 BFEDLO N#CC1([NH2+]C2CCCCC2)Cc2ccccc2C1 ZINC000037969565 181030961 /nfs/dbraw/zinc/03/09/61/181030961.db2.gz SCMQQPAASSMFBH-UHFFFAOYSA-N 1 2 240.350 2.970 20 30 BFEDLO CCc1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000334530626 353908843 /nfs/dbraw/zinc/90/88/43/353908843.db2.gz NWNGTLIFNDDLCT-UHFFFAOYSA-N 1 2 249.383 2.831 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)CCc1cccc(F)c1F ZINC000343603874 353931849 /nfs/dbraw/zinc/93/18/49/353931849.db2.gz HNOQWPQLGLOSDI-JTQLQIEISA-N 1 2 238.281 2.741 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)CCc1cccc(F)c1F ZINC000343603874 353931853 /nfs/dbraw/zinc/93/18/53/353931853.db2.gz HNOQWPQLGLOSDI-JTQLQIEISA-N 1 2 238.281 2.741 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1F ZINC000343568131 353936472 /nfs/dbraw/zinc/93/64/72/353936472.db2.gz YQEFAQGDESFFLY-VIFPVBQESA-N 1 2 236.265 2.919 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1c(F)cccc1F ZINC000343588580 353941136 /nfs/dbraw/zinc/94/11/36/353941136.db2.gz UGFMHEITXBFVLM-VIFPVBQESA-N 1 2 236.265 2.919 20 30 BFEDLO C=C[C@@H]([NH2+][C@H](CCC)CCCC)C(=O)OC ZINC000301019281 363296739 /nfs/dbraw/zinc/29/67/39/363296739.db2.gz JHNASJZLPVWQCP-VXGBXAGGSA-N 1 2 227.348 2.663 20 30 BFEDLO O=C(C[C@H]1C=CCCC1)NCc1c[nH+]c[nH]1 ZINC000330292593 134000086 /nfs/dbraw/zinc/00/00/86/134000086.db2.gz DJXWHQZXEFHAPW-JTQLQIEISA-N 1 2 219.288 2.613 20 30 BFEDLO O=C(C[C@H]1C=CCCC1)NCc1c[nH]c[nH+]1 ZINC000330292593 134000087 /nfs/dbraw/zinc/00/00/87/134000087.db2.gz DJXWHQZXEFHAPW-JTQLQIEISA-N 1 2 219.288 2.613 20 30 BFEDLO CCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000334604663 354285690 /nfs/dbraw/zinc/28/56/90/354285690.db2.gz XVVSVAZEHAMFMP-ZIAGYGMSSA-N 1 2 236.359 2.714 20 30 BFEDLO CCCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000334604663 354285693 /nfs/dbraw/zinc/28/56/93/354285693.db2.gz XVVSVAZEHAMFMP-ZIAGYGMSSA-N 1 2 236.359 2.714 20 30 BFEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CF)c(F)c1 ZINC000293167408 181103428 /nfs/dbraw/zinc/10/34/28/181103428.db2.gz VEWDDYOTGBGGQF-LBPRGKRZSA-N 1 2 236.265 2.631 20 30 BFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CF)c(F)c1 ZINC000293167408 181103431 /nfs/dbraw/zinc/10/34/31/181103431.db2.gz VEWDDYOTGBGGQF-LBPRGKRZSA-N 1 2 236.265 2.631 20 30 BFEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)c(F)c1 ZINC000293167405 181104511 /nfs/dbraw/zinc/10/45/11/181104511.db2.gz VEWDDYOTGBGGQF-GFCCVEGCSA-N 1 2 236.265 2.631 20 30 BFEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)c(F)c1 ZINC000293167405 181104516 /nfs/dbraw/zinc/10/45/16/181104516.db2.gz VEWDDYOTGBGGQF-GFCCVEGCSA-N 1 2 236.265 2.631 20 30 BFEDLO Cc1ccc(C[C@H]2CCC[N@@H+]2CC#N)cc1 ZINC000113263911 354393056 /nfs/dbraw/zinc/39/30/56/354393056.db2.gz HHWMSCOANOBQQN-CQSZACIVSA-N 1 2 214.312 2.526 20 30 BFEDLO Cc1ccc(C[C@H]2CCC[N@H+]2CC#N)cc1 ZINC000113263911 354393057 /nfs/dbraw/zinc/39/30/57/354393057.db2.gz HHWMSCOANOBQQN-CQSZACIVSA-N 1 2 214.312 2.526 20 30 BFEDLO N#C[C@H]1[N@H+](CCC2CC2)CCC[C@@]12CCCCO2 ZINC000334622437 354360763 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354487050 /nfs/dbraw/zinc/48/70/50/354487050.db2.gz CCEXGLSDUVEWAZ-OLZOCXBDSA-N 1 2 236.359 2.570 20 30 BFEDLO C=C[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000334712551 354509841 /nfs/dbraw/zinc/50/98/41/354509841.db2.gz PZVXIEKMDFPDCR-SECBINFHSA-N 1 2 233.315 2.703 20 30 BFEDLO N#Cc1cccc(CCNc2cccc[nH+]2)c1 ZINC000359929198 181136925 /nfs/dbraw/zinc/13/69/25/181136925.db2.gz FBKGXGCYYDBOSJ-UHFFFAOYSA-N 1 2 223.279 2.608 20 30 BFEDLO C=C(C)C(C)(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000335098802 354639612 /nfs/dbraw/zinc/63/96/12/354639612.db2.gz XWVUVORJJDOYSA-UHFFFAOYSA-N 1 2 243.310 2.875 20 30 BFEDLO C=CC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000335210194 355047199 /nfs/dbraw/zinc/04/71/99/355047199.db2.gz ICHNVLBGRHXCOX-UHFFFAOYSA-N 1 2 227.311 2.664 20 30 BFEDLO CC(C)C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000335243798 355180875 /nfs/dbraw/zinc/18/08/75/355180875.db2.gz HAHKEIHQNMTJPK-ZIAGYGMSSA-N 1 2 236.359 2.570 20 30 BFEDLO CC(C)C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000335243798 355180878 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/nfs/dbraw/zinc/29/69/09/202296909.db2.gz QLMFOQTZYUAOMG-LLVKDONJSA-N 1 2 249.383 2.956 20 30 BFEDLO COCc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000612406060 359833667 /nfs/dbraw/zinc/83/36/67/359833667.db2.gz HJDKWMVAYVDTBV-CQSZACIVSA-N 1 2 248.326 2.552 20 30 BFEDLO COCc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000612406060 359833672 /nfs/dbraw/zinc/83/36/72/359833672.db2.gz HJDKWMVAYVDTBV-CQSZACIVSA-N 1 2 248.326 2.552 20 30 BFEDLO Cc1ccoc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406641 359833839 /nfs/dbraw/zinc/83/38/39/359833839.db2.gz QUDSSFPXGUDMKA-CYBMUJFWSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1ccoc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406641 359833845 /nfs/dbraw/zinc/83/38/45/359833845.db2.gz QUDSSFPXGUDMKA-CYBMUJFWSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000612406081 359833970 /nfs/dbraw/zinc/83/39/70/359833970.db2.gz HZWAIPPHERCAKY-CYBMUJFWSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000612406081 359833975 /nfs/dbraw/zinc/83/39/75/359833975.db2.gz HZWAIPPHERCAKY-CYBMUJFWSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1ncccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406753 359833988 /nfs/dbraw/zinc/83/39/88/359833988.db2.gz SLPHGANJJOATOY-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ncccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406753 359833994 /nfs/dbraw/zinc/83/39/94/359833994.db2.gz SLPHGANJJOATOY-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO CC(C)n1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612405831 359832228 /nfs/dbraw/zinc/83/22/28/359832228.db2.gz DFXCKIBSZAZRSV-CQSZACIVSA-N 1 2 246.358 2.590 20 30 BFEDLO CC(C)n1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612405831 359832230 /nfs/dbraw/zinc/83/22/30/359832230.db2.gz DFXCKIBSZAZRSV-CQSZACIVSA-N 1 2 246.358 2.590 20 30 BFEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccsc2)C1 ZINC000612404389 359832490 /nfs/dbraw/zinc/83/24/90/359832490.db2.gz UZIOBTHTGQCCMO-LBPRGKRZSA-N 1 2 220.341 2.874 20 30 BFEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccsc2)C1 ZINC000612404389 359832493 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/nfs/dbraw/zinc/74/77/16/363747716.db2.gz KSCKTUCRFNRYTN-HNNXBMFYSA-N 1 2 243.354 2.824 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C)cc1 ZINC000428871563 201048287 /nfs/dbraw/zinc/04/82/87/201048287.db2.gz JEMSGDOTGNALOC-UHFFFAOYSA-N 1 2 214.312 2.897 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc(C)cc1 ZINC000428871563 201048291 /nfs/dbraw/zinc/04/82/91/201048291.db2.gz JEMSGDOTGNALOC-UHFFFAOYSA-N 1 2 214.312 2.897 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCOc1cccc(F)c1 ZINC000428856688 201046148 /nfs/dbraw/zinc/04/61/48/201046148.db2.gz NGGAYXZUHXNDHN-UHFFFAOYSA-N 1 2 248.301 2.606 20 30 BFEDLO C=CC[N@H+](CCC#N)CCOc1cccc(F)c1 ZINC000428856688 201046151 /nfs/dbraw/zinc/04/61/51/201046151.db2.gz NGGAYXZUHXNDHN-UHFFFAOYSA-N 1 2 248.301 2.606 20 30 BFEDLO C=C(C)c1ccc(NC[C@@H]2CCCO2)[nH+]c1 ZINC000629729964 361668909 /nfs/dbraw/zinc/66/89/09/361668909.db2.gz LHQIRKMUVJTRCA-LBPRGKRZSA-N 1 2 218.300 2.706 20 30 BFEDLO C=CC[N@@H+](C)Cc1ncc(C(C)C)s1 ZINC000154761280 201294748 /nfs/dbraw/zinc/29/47/48/201294748.db2.gz 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OAAQZXCCDULKFX-UHFFFAOYSA-N 1 2 247.685 2.524 20 30 BFEDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000334919083 383975087 /nfs/dbraw/zinc/97/50/87/383975087.db2.gz CLPHVRPZYJYULR-VHSXEESVSA-N 1 2 218.275 2.538 20 30 BFEDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000334919083 383975094 /nfs/dbraw/zinc/97/50/94/383975094.db2.gz CLPHVRPZYJYULR-VHSXEESVSA-N 1 2 218.275 2.538 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc2c(c1)CCC2 ZINC000070498876 384114999 /nfs/dbraw/zinc/11/49/99/384114999.db2.gz PVJYGQSDZMPAEV-UHFFFAOYSA-N 1 2 214.312 2.521 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc2c(c1)CCC2 ZINC000070498876 384115005 /nfs/dbraw/zinc/11/50/05/384115005.db2.gz PVJYGQSDZMPAEV-UHFFFAOYSA-N 1 2 214.312 2.521 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000299180175 384122460 /nfs/dbraw/zinc/12/24/60/384122460.db2.gz ZCPGOWUONFWYQH-JTQLQIEISA-N 1 2 229.707 2.618 20 30 BFEDLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000093090431 384210058 /nfs/dbraw/zinc/21/00/58/384210058.db2.gz ZKQPOBSCKCSKMQ-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000093090431 384210063 /nfs/dbraw/zinc/21/00/63/384210063.db2.gz ZKQPOBSCKCSKMQ-NSHDSACASA-N 1 2 220.291 2.868 20 30 BFEDLO Cn1cc[nH+]c1CNc1c(Cl)cccc1C#N ZINC000336364248 384217452 /nfs/dbraw/zinc/21/74/52/384217452.db2.gz GDUJYLDRWVEUTD-UHFFFAOYSA-N 1 2 246.701 2.557 20 30 BFEDLO N#CCC[N@H+](Cc1ccccc1)C1CC1 ZINC000043643061 384288800 /nfs/dbraw/zinc/28/88/00/384288800.db2.gz LYCITSUKVQINDL-UHFFFAOYSA-N 1 2 200.285 2.565 20 30 BFEDLO N#CCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000043643061 384288805 /nfs/dbraw/zinc/28/88/05/384288805.db2.gz LYCITSUKVQINDL-UHFFFAOYSA-N 1 2 200.285 2.565 20 30 BFEDLO CSc1ccc(N[C@H]2CC[C@@H](C#N)C2)[nH+]c1 ZINC000335620232 384398577 /nfs/dbraw/zinc/39/85/77/384398577.db2.gz UEUBLFBMRBDLCQ-ZJUUUORDSA-N 1 2 233.340 2.908 20 30 BFEDLO CCc1cccc(OCC[N@H+](C)[C@@H](C)CC#N)c1 ZINC000161946335 384548036 /nfs/dbraw/zinc/54/80/36/384548036.db2.gz XJLQMXDNUZWTGJ-ZDUSSCGKSA-N 1 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2.658 20 30 BFEDLO C#CC[N@@H+](C)Cc1cscc1Br ZINC000491415194 384753730 /nfs/dbraw/zinc/75/37/30/384753730.db2.gz HCTDCOKUFYLSCC-UHFFFAOYSA-N 1 2 244.157 2.576 20 30 BFEDLO C#CC[N@H+](C)Cc1cscc1Br ZINC000491415194 384753737 /nfs/dbraw/zinc/75/37/37/384753737.db2.gz HCTDCOKUFYLSCC-UHFFFAOYSA-N 1 2 244.157 2.576 20 30 BFEDLO C#C[C@@H](CCC)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000491807141 384780262 /nfs/dbraw/zinc/78/02/62/384780262.db2.gz BQWFRTULWXKEOE-LBPRGKRZSA-N 1 2 245.326 2.622 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1cccnc1Cl ZINC000491071669 384803193 /nfs/dbraw/zinc/80/31/93/384803193.db2.gz MRJVMXXOVLHRTO-UHFFFAOYSA-N 1 2 222.719 2.579 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1cccnc1Cl ZINC000491071669 384803201 /nfs/dbraw/zinc/80/32/01/384803201.db2.gz MRJVMXXOVLHRTO-UHFFFAOYSA-N 1 2 222.719 2.579 20 30 BFEDLO C=CCC[NH2+][C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000297414103 384808752 /nfs/dbraw/zinc/80/87/52/384808752.db2.gz MRARRXPECTXMNR-AWEZNQCLSA-N 1 2 247.338 2.683 20 30 BFEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCC2(CCCC2)O1 ZINC000559264064 384922712 /nfs/dbraw/zinc/92/27/12/384922712.db2.gz ZGVNITPLXFSBEI-AWEZNQCLSA-N 1 2 248.370 2.880 20 30 BFEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCC2(CCCC2)O1 ZINC000559264064 384922717 /nfs/dbraw/zinc/92/27/17/384922717.db2.gz ZGVNITPLXFSBEI-AWEZNQCLSA-N 1 2 248.370 2.880 20 30 BFEDLO Cc1occc1C[N@@H+](C)CC(C)(C)C#N ZINC000405087422 384925651 /nfs/dbraw/zinc/92/56/51/384925651.db2.gz DSEGIZUNVGBUDC-UHFFFAOYSA-N 1 2 206.289 2.570 20 30 BFEDLO Cc1occc1C[N@H+](C)CC(C)(C)C#N ZINC000405087422 384925660 /nfs/dbraw/zinc/92/56/60/384925660.db2.gz DSEGIZUNVGBUDC-UHFFFAOYSA-N 1 2 206.289 2.570 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc(F)cc1C ZINC000127639914 384926488 /nfs/dbraw/zinc/92/64/88/384926488.db2.gz UYRPXDKNVQLMMB-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc(F)cc1C ZINC000127639914 384926494 /nfs/dbraw/zinc/92/64/94/384926494.db2.gz UYRPXDKNVQLMMB-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO C=CCCCCC[N@@H+](C)Cc1csnn1 ZINC000127770983 384945301 /nfs/dbraw/zinc/94/53/01/384945301.db2.gz LSSZYSAXLUVQCP-UHFFFAOYSA-N 1 2 225.361 2.716 20 30 BFEDLO C=CCCCCC[N@H+](C)Cc1csnn1 ZINC000127770983 384945309 /nfs/dbraw/zinc/94/53/09/384945309.db2.gz LSSZYSAXLUVQCP-UHFFFAOYSA-N 1 2 225.361 2.716 20 30 BFEDLO C=C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302069663 384965170 /nfs/dbraw/zinc/96/51/70/384965170.db2.gz DTUTZQKVAIHKEZ-VIFPVBQESA-N 1 2 217.316 2.650 20 30 BFEDLO CCc1cccc(F)c1C[NH2+]CC1(C#N)CC1 ZINC000559332469 385069509 /nfs/dbraw/zinc/06/95/09/385069509.db2.gz HSHDOUNLQAMMEV-UHFFFAOYSA-N 1 2 232.302 2.781 20 30 BFEDLO CC1(C#N)C[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC000559636038 385090283 /nfs/dbraw/zinc/09/02/83/385090283.db2.gz FLFYSVQQKGENEJ-CQSZACIVSA-N 1 2 226.323 2.909 20 30 BFEDLO C=CC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246369813 385150216 /nfs/dbraw/zinc/15/02/16/385150216.db2.gz GTPAVAFUIBFXEQ-JQWIXIFHSA-N 1 2 223.341 2.696 20 30 BFEDLO C=CC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246369813 385150222 /nfs/dbraw/zinc/15/02/22/385150222.db2.gz GTPAVAFUIBFXEQ-JQWIXIFHSA-N 1 2 223.341 2.696 20 30 BFEDLO CC#CC[N@H+](C)Cc1nc2ccccc2s1 ZINC000157454493 385170356 /nfs/dbraw/zinc/17/03/56/385170356.db2.gz WLWCTWRJETZYAA-UHFFFAOYSA-N 1 2 230.336 2.751 20 30 BFEDLO CC#CC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000157454493 385170364 /nfs/dbraw/zinc/17/03/64/385170364.db2.gz WLWCTWRJETZYAA-UHFFFAOYSA-N 1 2 230.336 2.751 20 30 BFEDLO C#CCN(C)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000302662413 533112655 /nfs/dbraw/zinc/11/26/55/533112655.db2.gz BGBOOEIHXYGZBB-UHFFFAOYSA-N 1 2 231.343 2.793 20 30 BFEDLO C[C@@H]([NH2+]CCC#N)c1ccccc1Cl ZINC000020199541 385423263 /nfs/dbraw/zinc/42/32/63/385423263.db2.gz DCPHODNPKRVXTB-SECBINFHSA-N 1 2 208.692 2.904 20 30 BFEDLO CC[N@H+](C[C@@H]1CCC(F)(F)C1)[C@H](C)C#N ZINC000595821733 385640812 /nfs/dbraw/zinc/64/08/12/385640812.db2.gz ZZDNMRSXUITYPB-NXEZZACHSA-N 1 2 216.275 2.656 20 30 BFEDLO CC[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H](C)C#N ZINC000595821733 385640819 /nfs/dbraw/zinc/64/08/19/385640819.db2.gz ZZDNMRSXUITYPB-NXEZZACHSA-N 1 2 216.275 2.656 20 30 BFEDLO CC[N@H+](C[C@@H]1CCC(F)(F)C1)[C@@H](C)C#N ZINC000595821735 385641279 /nfs/dbraw/zinc/64/12/79/385641279.db2.gz ZZDNMRSXUITYPB-VHSXEESVSA-N 1 2 216.275 2.656 20 30 BFEDLO CC[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@@H](C)C#N ZINC000595821735 385641283 /nfs/dbraw/zinc/64/12/83/385641283.db2.gz ZZDNMRSXUITYPB-VHSXEESVSA-N 1 2 216.275 2.656 20 30 BFEDLO COc1ccccc1/C=C/C[N@H+](C)C[C@H](C)C#N ZINC000271113669 385788378 /nfs/dbraw/zinc/78/83/78/385788378.db2.gz DFYLFGBOKAEOLP-STMXVASLSA-N 1 2 244.338 2.800 20 30 BFEDLO COc1ccccc1/C=C/C[N@@H+](C)C[C@H](C)C#N ZINC000271113669 385788380 /nfs/dbraw/zinc/78/83/80/385788380.db2.gz DFYLFGBOKAEOLP-STMXVASLSA-N 1 2 244.338 2.800 20 30 BFEDLO CSc1ccccc1C[N@H+](C)CCC#N ZINC000272615866 385918327 /nfs/dbraw/zinc/91/83/27/385918327.db2.gz APOKVCHTBZXCRP-UHFFFAOYSA-N 1 2 220.341 2.754 20 30 BFEDLO CSc1ccccc1C[N@@H+](C)CCC#N ZINC000272615866 385918332 /nfs/dbraw/zinc/91/83/32/385918332.db2.gz APOKVCHTBZXCRP-UHFFFAOYSA-N 1 2 220.341 2.754 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(F)c1 ZINC000097444400 386111711 /nfs/dbraw/zinc/11/17/11/386111711.db2.gz CTCAFBVAKMROQG-JTQLQIEISA-N 1 2 206.264 2.560 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(F)c1 ZINC000097444400 386111714 /nfs/dbraw/zinc/11/17/14/386111714.db2.gz CTCAFBVAKMROQG-JTQLQIEISA-N 1 2 206.264 2.560 20 30 BFEDLO C=C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000334448063 386094769 /nfs/dbraw/zinc/09/47/69/386094769.db2.gz ILEXVLGRIXJEBF-UHFFFAOYSA-N 1 2 230.286 2.849 20 30 BFEDLO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000093090829 386126097 /nfs/dbraw/zinc/12/60/97/386126097.db2.gz WIYFTNPXRLABFO-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO Cc1cc(F)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000093090829 386126103 /nfs/dbraw/zinc/12/61/03/386126103.db2.gz WIYFTNPXRLABFO-LLVKDONJSA-N 1 2 220.291 2.868 20 30 BFEDLO C=CCC[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000320315264 386306485 /nfs/dbraw/zinc/30/64/85/386306485.db2.gz VKEAYEWWCUJPAN-ZDUSSCGKSA-N 1 2 242.322 2.974 20 30 BFEDLO CC1(C)CCC[N@H+](Cc2ccccc2O)[C@H]1C#N ZINC000278387058 386520350 /nfs/dbraw/zinc/52/03/50/386520350.db2.gz MLKVSGQQMIVRDA-AWEZNQCLSA-N 1 2 244.338 2.906 20 30 BFEDLO CC1(C)CCC[N@@H+](Cc2ccccc2O)[C@H]1C#N ZINC000278387058 386520362 /nfs/dbraw/zinc/52/03/62/386520362.db2.gz MLKVSGQQMIVRDA-AWEZNQCLSA-N 1 2 244.338 2.906 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)cs1 ZINC000278431314 386525516 /nfs/dbraw/zinc/52/55/16/386525516.db2.gz KBGMJBHMQKBCMN-QMMMGPOBSA-N 1 2 228.748 2.993 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)cs1 ZINC000278431314 386525522 /nfs/dbraw/zinc/52/55/22/386525522.db2.gz KBGMJBHMQKBCMN-QMMMGPOBSA-N 1 2 228.748 2.993 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nn(C)cc1Cl ZINC000335505567 386636997 /nfs/dbraw/zinc/63/69/97/386636997.db2.gz ZNNRDRPKQDQQIW-SNVBAGLBSA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nn(C)cc1Cl ZINC000335505567 386637003 /nfs/dbraw/zinc/63/70/03/386637003.db2.gz ZNNRDRPKQDQQIW-SNVBAGLBSA-N 1 2 239.750 2.614 20 30 BFEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000335495464 386616798 /nfs/dbraw/zinc/61/67/98/386616798.db2.gz JLPMKDRIQSTWQA-MNOVXSKESA-N 1 2 247.342 2.607 20 30 BFEDLO CC#CC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000121000257 386686932 /nfs/dbraw/zinc/68/69/32/386686932.db2.gz IXDZKRJSPQMHMN-AAEUAGOBSA-N 1 2 235.352 2.533 20 30 BFEDLO CC#CC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000121000257 386686936 /nfs/dbraw/zinc/68/69/36/386686936.db2.gz IXDZKRJSPQMHMN-AAEUAGOBSA-N 1 2 235.352 2.533 20 30 BFEDLO CC1(C)CCC[N@H+](CC[C@H]2CCCO2)[C@H]1C#N ZINC000334782433 386840796 /nfs/dbraw/zinc/84/07/96/386840796.db2.gz XPKRCQPBAIOYEU-OLZOCXBDSA-N 1 2 236.359 2.570 20 30 BFEDLO CC1(C)CCC[N@@H+](CC[C@H]2CCCO2)[C@H]1C#N ZINC000334782433 386840803 /nfs/dbraw/zinc/84/08/03/386840803.db2.gz XPKRCQPBAIOYEU-OLZOCXBDSA-N 1 2 236.359 2.570 20 30 BFEDLO CC[C@@H](C)CN(C)c1cc(C)[nH+]cc1C#N ZINC000399415906 387057882 /nfs/dbraw/zinc/05/78/82/387057882.db2.gz XVSIJNFLRGNNLP-SNVBAGLBSA-N 1 2 217.316 2.744 20 30 BFEDLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000223665347 387062711 /nfs/dbraw/zinc/06/27/11/387062711.db2.gz NRUCKJYJASGJAB-NSHDSACASA-N 1 2 241.294 2.706 20 30 BFEDLO Cc1cc(F)cc2c1C[N@H+](CC1(C#N)CC1)CC2 ZINC000334938590 387014398 /nfs/dbraw/zinc/01/43/98/387014398.db2.gz NGLWXLLVBVKOKE-UHFFFAOYSA-N 1 2 244.313 2.796 20 30 BFEDLO Cc1cc(F)cc2c1C[N@@H+](CC1(C#N)CC1)CC2 ZINC000334938590 387014404 /nfs/dbraw/zinc/01/44/04/387014404.db2.gz NGLWXLLVBVKOKE-UHFFFAOYSA-N 1 2 244.313 2.796 20 30 BFEDLO Cc1cc(N2CC[C@@H](C(C)C)C2)c(C#N)c[nH+]1 ZINC000399442667 387102611 /nfs/dbraw/zinc/10/26/11/387102611.db2.gz OZPOZMTUAIFMRK-GFCCVEGCSA-N 1 2 229.327 2.744 20 30 BFEDLO C=C(C)C[N@@H+](CC)[C@H](C(=O)OC)c1ccccc1 ZINC000152521890 387131634 /nfs/dbraw/zinc/13/16/34/387131634.db2.gz ZCTQAYCRBXNGNS-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C(C)C[N@H+](CC)[C@H](C(=O)OC)c1ccccc1 ZINC000152521890 387131639 /nfs/dbraw/zinc/13/16/39/387131639.db2.gz ZCTQAYCRBXNGNS-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO N#CC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000057907062 387149173 /nfs/dbraw/zinc/14/91/73/387149173.db2.gz JSMKOQIPRYXWEN-UHFFFAOYSA-N 1 2 241.294 2.563 20 30 BFEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCC#N ZINC000611554226 387347515 /nfs/dbraw/zinc/34/75/15/387347515.db2.gz IGLYOVULRGFRBM-BDAKNGLRSA-N 1 2 220.238 2.563 20 30 BFEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCC#N ZINC000611554226 387347523 /nfs/dbraw/zinc/34/75/23/387347523.db2.gz IGLYOVULRGFRBM-BDAKNGLRSA-N 1 2 220.238 2.563 20 30 BFEDLO C#CCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274510065 387481131 /nfs/dbraw/zinc/48/11/31/387481131.db2.gz WVBSGQXICZHRLW-AWEZNQCLSA-N 1 2 249.741 2.737 20 30 BFEDLO C#CCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274510065 387481135 /nfs/dbraw/zinc/48/11/35/387481135.db2.gz WVBSGQXICZHRLW-AWEZNQCLSA-N 1 2 249.741 2.737 20 30 BFEDLO Cc1cc(NC2CCCCCC2)c(C#N)c[nH+]1 ZINC000399538414 387552961 /nfs/dbraw/zinc/55/29/61/387552961.db2.gz XFDQPAKKLMNGFW-UHFFFAOYSA-N 1 2 229.327 2.818 20 30 BFEDLO CC[C@@H](F)C[N@H+](CCC#N)CCC(C)C ZINC000440777025 387693309 /nfs/dbraw/zinc/69/33/09/387693309.db2.gz SXPNIHJSJXACDL-GFCCVEGCSA-N 1 2 214.328 2.996 20 30 BFEDLO CC[C@@H](F)C[N@@H+](CCC#N)CCC(C)C ZINC000440777025 387693313 /nfs/dbraw/zinc/69/33/13/387693313.db2.gz SXPNIHJSJXACDL-GFCCVEGCSA-N 1 2 214.328 2.996 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc(F)c(Cl)c1 ZINC000157777664 387873122 /nfs/dbraw/zinc/87/31/22/387873122.db2.gz WQMWUBQUWYYQHN-UHFFFAOYSA-N 1 2 226.682 2.825 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc(F)c(Cl)c1 ZINC000157777664 387873127 /nfs/dbraw/zinc/87/31/27/387873127.db2.gz WQMWUBQUWYYQHN-UHFFFAOYSA-N 1 2 226.682 2.825 20 30 BFEDLO CC1(C)CCC[N@H+](CCCCC#N)[C@H]1C#N ZINC000444724661 387917841 /nfs/dbraw/zinc/91/78/41/387917841.db2.gz ZSIFBXIKIWJSDL-LBPRGKRZSA-N 1 2 219.332 2.694 20 30 BFEDLO CC1(C)CCC[N@@H+](CCCCC#N)[C@H]1C#N ZINC000444724661 387917845 /nfs/dbraw/zinc/91/78/45/387917845.db2.gz ZSIFBXIKIWJSDL-LBPRGKRZSA-N 1 2 219.332 2.694 20 30 BFEDLO COC(C)(C)CC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444734610 387917131 /nfs/dbraw/zinc/91/71/31/387917131.db2.gz SKCLBGUZMWVPGT-GFCCVEGCSA-N 1 2 238.375 2.816 20 30 BFEDLO COC(C)(C)CC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444734610 387917136 /nfs/dbraw/zinc/91/71/36/387917136.db2.gz SKCLBGUZMWVPGT-GFCCVEGCSA-N 1 2 238.375 2.816 20 30 BFEDLO C=C(CC)C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000453356463 388056757 /nfs/dbraw/zinc/05/67/57/388056757.db2.gz KRFYKGJTXJNVNY-LLVKDONJSA-N 1 2 248.355 2.511 20 30 BFEDLO CC[N@@H+](Cc1ccc(C)cc1OC)C[C@H](C)C#N ZINC000449013182 388130223 /nfs/dbraw/zinc/13/02/23/388130223.db2.gz BIFSUDNYHQTGRO-CYBMUJFWSA-N 1 2 246.354 2.985 20 30 BFEDLO CC[N@H+](Cc1ccc(C)cc1OC)C[C@H](C)C#N ZINC000449013182 388130225 /nfs/dbraw/zinc/13/02/25/388130225.db2.gz BIFSUDNYHQTGRO-CYBMUJFWSA-N 1 2 246.354 2.985 20 30 BFEDLO COc1cc(F)cc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000449023605 388131244 /nfs/dbraw/zinc/13/12/44/388131244.db2.gz SILHBEKGVYYKIY-JTQLQIEISA-N 1 2 236.290 2.568 20 30 BFEDLO COc1cc(F)cc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000449023605 388131246 /nfs/dbraw/zinc/13/12/46/388131246.db2.gz SILHBEKGVYYKIY-JTQLQIEISA-N 1 2 236.290 2.568 20 30 BFEDLO C=CCC[C@@H]([NH2+]Cc1ccccc1)C(=O)OCC ZINC000449653322 388248784 /nfs/dbraw/zinc/24/87/84/388248784.db2.gz BYCPKIDJQUZWKS-CQSZACIVSA-N 1 2 247.338 2.674 20 30 BFEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456419745 388200475 /nfs/dbraw/zinc/20/04/75/388200475.db2.gz MAYLNOKWLOMDLD-MNOVXSKESA-N 1 2 247.342 2.607 20 30 BFEDLO C=C[C@@H]1CCCC[N@H+]1Cc1occc1C(=O)OC ZINC000489428774 388213015 /nfs/dbraw/zinc/21/30/15/388213015.db2.gz FGOYJMVPNDONKS-LLVKDONJSA-N 1 2 249.310 2.607 20 30 BFEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1occc1C(=O)OC ZINC000489428774 388213017 /nfs/dbraw/zinc/21/30/17/388213017.db2.gz FGOYJMVPNDONKS-LLVKDONJSA-N 1 2 249.310 2.607 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(C(C)C)no1 ZINC000489438676 388213887 /nfs/dbraw/zinc/21/38/87/388213887.db2.gz PHUCQCQZGIITLG-NSHDSACASA-N 1 2 235.331 2.734 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C(C)C)no1 ZINC000489438676 388213889 /nfs/dbraw/zinc/21/38/89/388213889.db2.gz PHUCQCQZGIITLG-NSHDSACASA-N 1 2 235.331 2.734 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C)n1CCC ZINC000489458389 388215898 /nfs/dbraw/zinc/21/58/98/388215898.db2.gz RQULETLXNUMCPL-ZDUSSCGKSA-N 1 2 248.374 2.537 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C)n1CCC ZINC000489458389 388215901 /nfs/dbraw/zinc/21/59/01/388215901.db2.gz RQULETLXNUMCPL-ZDUSSCGKSA-N 1 2 248.374 2.537 20 30 BFEDLO C=CC(C)(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456854138 388228541 /nfs/dbraw/zinc/22/85/41/388228541.db2.gz YROHFLZNZUKVMP-UHFFFAOYSA-N 1 2 232.327 2.527 20 30 BFEDLO C#CC[N@@H+](Cc1ccc(F)cc1)CC1(C#N)CC1 ZINC000490916761 388259853 /nfs/dbraw/zinc/25/98/53/388259853.db2.gz VEBKVULCMXPGIK-UHFFFAOYSA-N 1 2 242.297 2.565 20 30 BFEDLO C#CC[N@H+](Cc1ccc(F)cc1)CC1(C#N)CC1 ZINC000490916761 388259855 /nfs/dbraw/zinc/25/98/55/388259855.db2.gz VEBKVULCMXPGIK-UHFFFAOYSA-N 1 2 242.297 2.565 20 30 BFEDLO C#CC[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000491267424 388281115 /nfs/dbraw/zinc/28/11/15/388281115.db2.gz SYRMIZOWFBWANN-CQSZACIVSA-N 1 2 239.322 2.641 20 30 BFEDLO C#CC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000491267424 388281117 /nfs/dbraw/zinc/28/11/17/388281117.db2.gz SYRMIZOWFBWANN-CQSZACIVSA-N 1 2 239.322 2.641 20 30 BFEDLO C#CC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000491267424 388281118 /nfs/dbraw/zinc/28/11/18/388281118.db2.gz SYRMIZOWFBWANN-CQSZACIVSA-N 1 2 239.322 2.641 20 30 BFEDLO C#CC[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000491267424 388281120 /nfs/dbraw/zinc/28/11/20/388281120.db2.gz SYRMIZOWFBWANN-CQSZACIVSA-N 1 2 239.322 2.641 20 30 BFEDLO CC#CCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451797680 388296684 /nfs/dbraw/zinc/29/66/84/388296684.db2.gz KNTFSWBDZILPPB-OAHLLOKOSA-N 1 2 247.313 2.612 20 30 BFEDLO CC#CCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451797680 388296686 /nfs/dbraw/zinc/29/66/86/388296686.db2.gz KNTFSWBDZILPPB-OAHLLOKOSA-N 1 2 247.313 2.612 20 30 BFEDLO C=CCCCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451846710 388300651 /nfs/dbraw/zinc/30/06/51/388300651.db2.gz YVGPGBRAHCGPIB-LLVKDONJSA-N 1 2 235.318 2.681 20 30 BFEDLO C=CCCCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451846710 388300652 /nfs/dbraw/zinc/30/06/52/388300652.db2.gz YVGPGBRAHCGPIB-LLVKDONJSA-N 1 2 235.318 2.681 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CCC)n1 ZINC000491673709 388309790 /nfs/dbraw/zinc/30/97/90/388309790.db2.gz UUFCFYXOHZKKCY-JTQLQIEISA-N 1 2 222.357 2.549 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CCC)n1 ZINC000491673709 388309791 /nfs/dbraw/zinc/30/97/91/388309791.db2.gz UUFCFYXOHZKKCY-JTQLQIEISA-N 1 2 222.357 2.549 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(Cl)cc1 ZINC000491704794 388313137 /nfs/dbraw/zinc/31/31/37/388313137.db2.gz PMWGAWMEHYSFRG-CYBMUJFWSA-N 1 2 245.713 2.527 20 30 BFEDLO C#CC[N@@H+](Cc1cnc(C(C)C)s1)C1CC1 ZINC000491769925 388318976 /nfs/dbraw/zinc/31/89/76/388318976.db2.gz LWUXWQXDLHGDNG-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO C#CC[N@H+](Cc1cnc(C(C)C)s1)C1CC1 ZINC000491769925 388318977 /nfs/dbraw/zinc/31/89/77/388318977.db2.gz LWUXWQXDLHGDNG-UHFFFAOYSA-N 1 2 234.368 2.864 20 30 BFEDLO C=CCOc1ccccc1C[NH2+]Cc1cocn1 ZINC000236676515 388381867 /nfs/dbraw/zinc/38/18/67/388381867.db2.gz VTTAHQZQCPUUTK-UHFFFAOYSA-N 1 2 244.294 2.529 20 30 BFEDLO Cc1nc(CNc2cc(CC#N)cc[nH+]2)cs1 ZINC000545926887 388466029 /nfs/dbraw/zinc/46/60/29/388466029.db2.gz GCWWRUHHIBFXOK-UHFFFAOYSA-N 1 2 244.323 2.525 20 30 BFEDLO C#CC[N@@H+](C)Cc1sccc1Br ZINC000307199755 388422265 /nfs/dbraw/zinc/42/22/65/388422265.db2.gz CUGGVLXNVDQIQC-UHFFFAOYSA-N 1 2 244.157 2.576 20 30 BFEDLO C#CC[N@H+](C)Cc1sccc1Br ZINC000307199755 388422268 /nfs/dbraw/zinc/42/22/68/388422268.db2.gz CUGGVLXNVDQIQC-UHFFFAOYSA-N 1 2 244.157 2.576 20 30 BFEDLO C=CCOc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000564348567 388532250 /nfs/dbraw/zinc/53/22/50/388532250.db2.gz LWWKFOXDKLSDPO-UHFFFAOYSA-N 1 2 241.281 2.996 20 30 BFEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccon1 ZINC000361756708 388638463 /nfs/dbraw/zinc/63/84/63/388638463.db2.gz VQRKGLOCBWKEKD-VIFPVBQESA-N 1 2 245.257 2.536 20 30 BFEDLO C[N@H+](Cc1cc(C#N)ccc1F)CC1(F)CC1 ZINC000527218257 388697190 /nfs/dbraw/zinc/69/71/90/388697190.db2.gz FQYIFJMLIKSCHL-UHFFFAOYSA-N 1 2 236.265 2.631 20 30 BFEDLO C[N@@H+](Cc1cc(C#N)ccc1F)CC1(F)CC1 ZINC000527218257 388697191 /nfs/dbraw/zinc/69/71/91/388697191.db2.gz FQYIFJMLIKSCHL-UHFFFAOYSA-N 1 2 236.265 2.631 20 30 BFEDLO C=CCOc1ccccc1C[N@H+](CC)CCC#N ZINC000127625279 388728276 /nfs/dbraw/zinc/72/82/76/388728276.db2.gz JDFWWNFOIQOWJV-UHFFFAOYSA-N 1 2 244.338 2.987 20 30 BFEDLO C=CCOc1ccccc1C[N@@H+](CC)CCC#N ZINC000127625279 388728279 /nfs/dbraw/zinc/72/82/79/388728279.db2.gz JDFWWNFOIQOWJV-UHFFFAOYSA-N 1 2 244.338 2.987 20 30 BFEDLO N#Cc1cccc(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000123384179 388732481 /nfs/dbraw/zinc/73/24/81/388732481.db2.gz CBCGNSXKZZVESW-UHFFFAOYSA-N 1 2 226.323 2.934 20 30 BFEDLO N#Cc1cccc(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000123384179 388732484 /nfs/dbraw/zinc/73/24/84/388732484.db2.gz CBCGNSXKZZVESW-UHFFFAOYSA-N 1 2 226.323 2.934 20 30 BFEDLO N#CCC[NH2+]Cc1cc(C2CC2)ccc1F ZINC000564858287 388895218 /nfs/dbraw/zinc/89/52/18/388895218.db2.gz BMIOZLAFVFIKNP-UHFFFAOYSA-N 1 2 218.275 2.706 20 30 BFEDLO Cc1cc[nH+]c(C)c1NC(=O)NCCCCC#N ZINC000287704885 133567500 /nfs/dbraw/zinc/56/75/00/133567500.db2.gz ZUTWYWMAISUKCP-UHFFFAOYSA-N 1 2 246.314 2.514 20 30 BFEDLO CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1[nH]cc[nH+]1 ZINC000329909651 133991320 /nfs/dbraw/zinc/99/13/20/133991320.db2.gz VEODRKGHDAJUCP-AXFHLTTASA-N 1 2 233.315 2.863 20 30 BFEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1c(C)noc1C ZINC000331980198 134003103 /nfs/dbraw/zinc/00/31/03/134003103.db2.gz XMZFGZAPEFDSFO-NSHDSACASA-N 1 2 233.315 2.636 20 30 BFEDLO CC1(C)CCC[N@H+](CC2CCC(=O)CC2)[C@H]1C#N ZINC000336274765 134141849 /nfs/dbraw/zinc/14/18/49/134141849.db2.gz IXJUIXVVPWNAEB-AWEZNQCLSA-N 1 2 248.370 2.760 20 30 BFEDLO CC1(C)CCC[N@@H+](CC2CCC(=O)CC2)[C@H]1C#N ZINC000336274765 134141850 /nfs/dbraw/zinc/14/18/50/134141850.db2.gz IXJUIXVVPWNAEB-AWEZNQCLSA-N 1 2 248.370 2.760 20 30 BFEDLO N#CC1(Cn2c[nH+]c3cc(F)c(F)cc32)CC1 ZINC000336459634 134147899 /nfs/dbraw/zinc/14/78/99/134147899.db2.gz YZIZINMOMVWZRA-UHFFFAOYSA-N 1 2 233.221 2.618 20 30 BFEDLO CC[N@H+](CC#N)C[C@H]1C[C@H]1c1ccccc1 ZINC000352650567 134150466 /nfs/dbraw/zinc/15/04/66/134150466.db2.gz ZASKYTNRGFFHAX-KGLIPLIRSA-N 1 2 214.312 2.636 20 30 BFEDLO CC[N@@H+](CC#N)C[C@H]1C[C@H]1c1ccccc1 ZINC000352650567 134150467 /nfs/dbraw/zinc/15/04/67/134150467.db2.gz ZASKYTNRGFFHAX-KGLIPLIRSA-N 1 2 214.312 2.636 20 30 BFEDLO C=C(C)CN(CC)c1[nH]c2ccccc2[nH+]1 ZINC000301082524 134156352 /nfs/dbraw/zinc/15/63/52/134156352.db2.gz OQIMXEPTPMYJNH-UHFFFAOYSA-N 1 2 215.300 2.965 20 30 BFEDLO C=C[C@@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301898659 134157007 /nfs/dbraw/zinc/15/70/07/134157007.db2.gz SJDCNFIEVHYPSE-SECBINFHSA-N 1 2 245.330 2.568 20 30 BFEDLO C=C(C)CN(C)c1cc[nH+]c(C(C)C)n1 ZINC000302023228 134157166 /nfs/dbraw/zinc/15/71/66/134157166.db2.gz FTVSSCWBVFNSBT-UHFFFAOYSA-N 1 2 205.305 2.612 20 30 BFEDLO Cc1ccc2[nH+]ccc(N(C)CCC#N)c2c1 ZINC000302173418 134157641 /nfs/dbraw/zinc/15/76/41/134157641.db2.gz VTVQWIJLXZTKPB-UHFFFAOYSA-N 1 2 225.295 2.893 20 30 BFEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000353039337 134159169 /nfs/dbraw/zinc/15/91/69/134159169.db2.gz IRLQCWSUMWBJHT-HIFRSBDPSA-N 1 2 239.322 2.877 20 30 BFEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000353039337 134159170 /nfs/dbraw/zinc/15/91/70/134159170.db2.gz IRLQCWSUMWBJHT-HIFRSBDPSA-N 1 2 239.322 2.877 20 30 BFEDLO CSc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000358055891 134186590 /nfs/dbraw/zinc/18/65/90/134186590.db2.gz AGBVZNRNDGRTLH-LLVKDONJSA-N 1 2 234.368 3.000 20 30 BFEDLO CSc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000358055891 134186591 /nfs/dbraw/zinc/18/65/91/134186591.db2.gz AGBVZNRNDGRTLH-LLVKDONJSA-N 1 2 234.368 3.000 20 30 BFEDLO N#CCC1(CNc2ccc3ccccc3[nH+]2)CC1 ZINC000362365088 134210450 /nfs/dbraw/zinc/21/04/50/134210450.db2.gz MPGGHWABEKINFC-UHFFFAOYSA-N 1 2 237.306 2.762 20 30 BFEDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCCCC#N)no1 ZINC000377512911 134243931 /nfs/dbraw/zinc/24/39/31/134243931.db2.gz QRAHDDPQSPKKRO-LBPRGKRZSA-N 1 2 248.330 2.599 20 30 BFEDLO Cc1nc([C@@H]2CCCC[N@H+]2CCCCC#N)no1 ZINC000377512911 134243932 /nfs/dbraw/zinc/24/39/32/134243932.db2.gz QRAHDDPQSPKKRO-LBPRGKRZSA-N 1 2 248.330 2.599 20 30 BFEDLO C=C(C)C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180047279 134326016 /nfs/dbraw/zinc/32/60/16/134326016.db2.gz PFUHPRUPEVQMNE-LLVKDONJSA-N 1 2 227.348 2.518 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)o1 ZINC000054183407 134387351 /nfs/dbraw/zinc/38/73/51/134387351.db2.gz UCAHOSOVSIPQEH-QMMMGPOBSA-N 1 2 212.680 2.715 20 30 BFEDLO Cc1c(C[N@@H+](C)[C@@H](C)CC#N)cccc1[N+](=O)[O-] ZINC000063095304 134395717 /nfs/dbraw/zinc/39/57/17/134395717.db2.gz WOJKCCJUXRRQBV-JTQLQIEISA-N 1 2 247.298 2.637 20 30 BFEDLO Cc1c(C[N@H+](C)[C@@H](C)CC#N)cccc1[N+](=O)[O-] ZINC000063095304 134395719 /nfs/dbraw/zinc/39/57/19/134395719.db2.gz WOJKCCJUXRRQBV-JTQLQIEISA-N 1 2 247.298 2.637 20 30 BFEDLO N#CCCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337383997 135014753 /nfs/dbraw/zinc/01/47/53/135014753.db2.gz DJYHAJZQVVCOQC-SNVBAGLBSA-N 1 2 216.275 2.800 20 30 BFEDLO N#CCCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337383997 135014754 /nfs/dbraw/zinc/01/47/54/135014754.db2.gz DJYHAJZQVVCOQC-SNVBAGLBSA-N 1 2 216.275 2.800 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000338377242 135034887 /nfs/dbraw/zinc/03/48/87/135034887.db2.gz FXTGDVTUKWNVGC-NSHDSACASA-N 1 2 232.302 2.950 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000338377242 135034890 /nfs/dbraw/zinc/03/48/90/135034890.db2.gz FXTGDVTUKWNVGC-NSHDSACASA-N 1 2 232.302 2.950 20 30 BFEDLO COc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338376817 135035526 /nfs/dbraw/zinc/03/55/26/135035526.db2.gz LWTQCKONRNKUTP-GFCCVEGCSA-N 1 2 244.338 2.819 20 30 BFEDLO COc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000338376817 135035527 /nfs/dbraw/zinc/03/55/27/135035527.db2.gz LWTQCKONRNKUTP-GFCCVEGCSA-N 1 2 244.338 2.819 20 30 BFEDLO Cc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)nc1 ZINC000338387999 135036516 /nfs/dbraw/zinc/03/65/16/135036516.db2.gz UDNSNPAOSXULNB-LBPRGKRZSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)nc1 ZINC000338387999 135036519 /nfs/dbraw/zinc/03/65/19/135036519.db2.gz UDNSNPAOSXULNB-LBPRGKRZSA-N 1 2 229.327 2.514 20 30 BFEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](C)C#N ZINC000263863216 135128608 /nfs/dbraw/zinc/12/86/08/135128608.db2.gz FJXOOGZCAPTCJE-GHMZBOCLSA-N 1 2 247.298 2.747 20 30 BFEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](C)C#N ZINC000263863216 135128610 /nfs/dbraw/zinc/12/86/10/135128610.db2.gz FJXOOGZCAPTCJE-GHMZBOCLSA-N 1 2 247.298 2.747 20 30 BFEDLO N#CCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264218653 135136381 /nfs/dbraw/zinc/13/63/81/135136381.db2.gz VBWGQCKXBCPSBC-GFCCVEGCSA-N 1 2 218.275 2.529 20 30 BFEDLO N#CCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264218653 135136382 /nfs/dbraw/zinc/13/63/82/135136382.db2.gz VBWGQCKXBCPSBC-GFCCVEGCSA-N 1 2 218.275 2.529 20 30 BFEDLO CCOc1ccc(O)c(/C=[NH+]/C2CCC2)c1 ZINC000264380359 135138394 /nfs/dbraw/zinc/13/83/94/135138394.db2.gz NWOADLLWVZXKIF-NTEUORMPSA-N 1 2 219.284 2.762 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000267353933 135153434 /nfs/dbraw/zinc/15/34/34/135153434.db2.gz GKZJUGYDPRQKAK-LBPRGKRZSA-N 1 2 246.741 2.783 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000267353933 135153436 /nfs/dbraw/zinc/15/34/36/135153436.db2.gz GKZJUGYDPRQKAK-LBPRGKRZSA-N 1 2 246.741 2.783 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1sccc1C ZINC000292793065 135177794 /nfs/dbraw/zinc/17/77/94/135177794.db2.gz MQJVYZKPIZEJKO-UHFFFAOYSA-N 1 2 220.341 2.958 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1sccc1C ZINC000292793065 135177797 /nfs/dbraw/zinc/17/77/97/135177797.db2.gz MQJVYZKPIZEJKO-UHFFFAOYSA-N 1 2 220.341 2.958 20 30 BFEDLO C[N@H+](CCCC#N)Cc1c(F)cccc1F ZINC000293527244 135181613 /nfs/dbraw/zinc/18/16/13/135181613.db2.gz WNUPOTKEZBMPGW-UHFFFAOYSA-N 1 2 224.254 2.700 20 30 BFEDLO C[N@@H+](CCCC#N)Cc1c(F)cccc1F ZINC000293527244 135181614 /nfs/dbraw/zinc/18/16/14/135181614.db2.gz WNUPOTKEZBMPGW-UHFFFAOYSA-N 1 2 224.254 2.700 20 30 BFEDLO C=C(C[NH2+]Cc1cn[nH]c1C)c1ccccc1 ZINC000340433376 135181844 /nfs/dbraw/zinc/18/18/44/135181844.db2.gz AZILTKJLSXVFRT-UHFFFAOYSA-N 1 2 227.311 2.521 20 30 BFEDLO Cc1sccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000295066765 135188865 /nfs/dbraw/zinc/18/88/65/135188865.db2.gz ALMOZBXDEMXCOR-VIFPVBQESA-N 1 2 208.330 2.648 20 30 BFEDLO Cc1sccc1C[N@H+](C)C[C@@H](C)C#N ZINC000295066765 135188866 /nfs/dbraw/zinc/18/88/66/135188866.db2.gz ALMOZBXDEMXCOR-VIFPVBQESA-N 1 2 208.330 2.648 20 30 BFEDLO C[C@@H](C[NH+]1CC(C)(C#N)C1)c1ccc(F)cc1 ZINC000297371685 135194959 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/nfs/dbraw/zinc/19/78/21/135197821.db2.gz LWRFLVHQHQXFFU-CQSZACIVSA-N 1 2 214.312 2.909 20 30 BFEDLO Cc1ccc(C)c(OCC[N@@H+](C)C[C@H](C)C#N)c1 ZINC000299142815 135202057 /nfs/dbraw/zinc/20/20/57/135202057.db2.gz ACDAFPYTJDPOBB-CYBMUJFWSA-N 1 2 246.354 2.774 20 30 BFEDLO Cc1ccc(C)c(OCC[N@H+](C)C[C@H](C)C#N)c1 ZINC000299142815 135202059 /nfs/dbraw/zinc/20/20/59/135202059.db2.gz ACDAFPYTJDPOBB-CYBMUJFWSA-N 1 2 246.354 2.774 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1ncc(COC)s1 ZINC000342680954 135304302 /nfs/dbraw/zinc/30/43/02/135304302.db2.gz MIRKENCWFGEWJI-UHFFFAOYSA-N 1 2 240.372 2.688 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1ncc(COC)s1 ZINC000342680954 135304303 /nfs/dbraw/zinc/30/43/03/135304303.db2.gz MIRKENCWFGEWJI-UHFFFAOYSA-N 1 2 240.372 2.688 20 30 BFEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000342793369 135319295 /nfs/dbraw/zinc/31/92/95/135319295.db2.gz INGQXQDCHISGFG-MNOVXSKESA-N 1 2 247.367 2.802 20 30 BFEDLO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC#N ZINC000334280625 135338366 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/nfs/dbraw/zinc/34/31/35/166343135.db2.gz MHLFRGDPOJEIGR-UHFFFAOYSA-N 1 2 248.351 2.967 20 30 BFEDLO C=CCN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000271426099 166348755 /nfs/dbraw/zinc/34/87/55/166348755.db2.gz MIPNBMKFISKRDB-UHFFFAOYSA-N 1 2 215.300 2.509 20 30 BFEDLO C=CC[N@@H+](Cc1csc(C)n1)C1CC1 ZINC000271497304 166349179 /nfs/dbraw/zinc/34/91/79/166349179.db2.gz VMEOFIZDGUDOIZ-UHFFFAOYSA-N 1 2 208.330 2.602 20 30 BFEDLO C=CC[N@H+](Cc1csc(C)n1)C1CC1 ZINC000271497304 166349181 /nfs/dbraw/zinc/34/91/81/166349181.db2.gz VMEOFIZDGUDOIZ-UHFFFAOYSA-N 1 2 208.330 2.602 20 30 BFEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000247488217 411210346 /nfs/dbraw/zinc/21/03/46/411210346.db2.gz KSQVUYHHPQPSJR-ZBFHGGJFSA-N 1 2 243.350 2.780 20 30 BFEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000247488217 411210351 /nfs/dbraw/zinc/21/03/51/411210351.db2.gz KSQVUYHHPQPSJR-ZBFHGGJFSA-N 1 2 243.350 2.780 20 30 BFEDLO C=CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000654072487 411328906 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/nfs/dbraw/zinc/41/69/25/411416925.db2.gz BBDFTDMYEYAOEQ-LLVKDONJSA-N 1 2 217.287 2.943 20 30 BFEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1O ZINC000297931662 411483270 /nfs/dbraw/zinc/48/32/70/411483270.db2.gz UQEVMUYLGJRVBO-NSHDSACASA-N 1 2 248.326 2.525 20 30 BFEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1O ZINC000297931662 411483273 /nfs/dbraw/zinc/48/32/73/411483273.db2.gz UQEVMUYLGJRVBO-NSHDSACASA-N 1 2 248.326 2.525 20 30 BFEDLO CC#CC[N@H+](C)Cc1ccsc1Cl ZINC000660643937 411611249 /nfs/dbraw/zinc/61/12/49/411611249.db2.gz FUIYGHRYQRWTND-UHFFFAOYSA-N 1 2 213.733 2.857 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ccsc1Cl ZINC000660643937 411611250 /nfs/dbraw/zinc/61/12/50/411611250.db2.gz FUIYGHRYQRWTND-UHFFFAOYSA-N 1 2 213.733 2.857 20 30 BFEDLO C=CCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664046795 411827150 /nfs/dbraw/zinc/82/71/50/411827150.db2.gz QNMSGZCSTVJZFI-UHFFFAOYSA-N 1 2 216.284 2.837 20 30 BFEDLO CC#CCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661736266 411859808 /nfs/dbraw/zinc/85/98/08/411859808.db2.gz MSKSNCPBHVIQTM-OAHLLOKOSA-N 1 2 247.313 2.612 20 30 BFEDLO CC#CCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661736266 411859811 /nfs/dbraw/zinc/85/98/11/411859811.db2.gz MSKSNCPBHVIQTM-OAHLLOKOSA-N 1 2 247.313 2.612 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000282720637 176016855 /nfs/dbraw/zinc/01/68/55/176016855.db2.gz BXRTUAOODHDRNO-NEPJUHHUSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000282720637 176016856 /nfs/dbraw/zinc/01/68/56/176016856.db2.gz BXRTUAOODHDRNO-NEPJUHHUSA-N 1 2 242.322 2.530 20 30 BFEDLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(F)ccc1C#N ZINC000336461013 177360409 /nfs/dbraw/zinc/36/04/09/177360409.db2.gz ZFJLFEVUIAYFOB-UWVGGRQHSA-N 1 2 218.275 2.680 20 30 BFEDLO C=C(CC)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671712160 487701776 /nfs/dbraw/zinc/70/17/76/487701776.db2.gz TWWPUALCNDPWBJ-VHSXEESVSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C(CC)C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671712160 487701779 /nfs/dbraw/zinc/70/17/79/487701779.db2.gz TWWPUALCNDPWBJ-VHSXEESVSA-N 1 2 237.265 2.604 20 30 BFEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000671736776 487716044 /nfs/dbraw/zinc/71/60/44/487716044.db2.gz WWJSCOSGZNYCRP-ZJUUUORDSA-N 1 2 238.281 2.812 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681000193 487796042 /nfs/dbraw/zinc/79/60/42/487796042.db2.gz IJYFXPRVPCIUMB-NSHDSACASA-N 1 2 243.310 2.875 20 30 BFEDLO CC(C)CSCCC[NH+]1CC(C)(C#N)C1 ZINC000555907135 322977395 /nfs/dbraw/zinc/97/73/95/322977395.db2.gz VPLMJSQHFBIMNL-UHFFFAOYSA-N 1 2 226.389 2.611 20 30 BFEDLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(C#N)cc1 ZINC000562496616 323021944 /nfs/dbraw/zinc/02/19/44/323021944.db2.gz YUSIKMBVDLQILP-AWEZNQCLSA-N 1 2 240.310 2.522 20 30 BFEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nccs1 ZINC000135190189 323027372 /nfs/dbraw/zinc/02/73/72/323027372.db2.gz MCRHCFDRWZSCMQ-LLVKDONJSA-N 1 2 247.323 2.849 20 30 BFEDLO CC(C)(C#N)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000160733413 323104181 /nfs/dbraw/zinc/10/41/81/323104181.db2.gz VSCMQEUBXPNQQI-ZDUSSCGKSA-N 1 2 214.312 2.778 20 30 BFEDLO CC(C)(C#N)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000160733413 323104182 /nfs/dbraw/zinc/10/41/82/323104182.db2.gz VSCMQEUBXPNQQI-ZDUSSCGKSA-N 1 2 214.312 2.778 20 30 BFEDLO C=CCC(CC=C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534299348 323115851 /nfs/dbraw/zinc/11/58/51/323115851.db2.gz YAHIWWNWRSZKIC-UHFFFAOYSA-N 1 2 244.338 2.827 20 30 BFEDLO CC(C)[N@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000534342188 323118041 /nfs/dbraw/zinc/11/80/41/323118041.db2.gz RXCNJVAHIRDERU-UHFFFAOYSA-N 1 2 246.310 2.539 20 30 BFEDLO CC(C)[N@@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000534342188 323118042 /nfs/dbraw/zinc/11/80/42/323118042.db2.gz RXCNJVAHIRDERU-UHFFFAOYSA-N 1 2 246.310 2.539 20 30 BFEDLO Cc1csc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000563571161 323130385 /nfs/dbraw/zinc/13/03/85/323130385.db2.gz MWGCWKDURIAJPW-GHMZBOCLSA-N 1 2 248.355 2.546 20 30 BFEDLO N#CC1(C[NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000571619231 323149354 /nfs/dbraw/zinc/14/93/54/323149354.db2.gz QAFMYDBQXVYLLZ-UHFFFAOYSA-N 1 2 247.367 2.804 20 30 BFEDLO C=CCCC(=O)CSc1[nH+]cc2ccccn21 ZINC000134669045 325371269 /nfs/dbraw/zinc/37/12/69/325371269.db2.gz JERZITYPVUKCJI-UHFFFAOYSA-N 1 2 246.335 2.962 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000565170861 325867530 /nfs/dbraw/zinc/86/75/30/325867530.db2.gz GMALGXPNKCUCND-LBPRGKRZSA-N 1 2 246.358 2.780 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2ccco2)on1 ZINC000568900336 326382051 /nfs/dbraw/zinc/38/20/51/326382051.db2.gz XUKLLKJRTLWESN-JTQLQIEISA-N 1 2 245.282 2.716 20 30 BFEDLO CC#CC[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000293250490 488011289 /nfs/dbraw/zinc/01/12/89/488011289.db2.gz TWWBJRYXXJASHO-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO CC#CC[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000293250490 488011293 /nfs/dbraw/zinc/01/12/93/488011293.db2.gz TWWBJRYXXJASHO-UHFFFAOYSA-N 1 2 243.137 2.844 20 30 BFEDLO C=CC[N@@H+](C)Cc1ccc(F)c(F)c1F ZINC000668010810 488184315 /nfs/dbraw/zinc/18/43/15/488184315.db2.gz JPSNVNLQKNVILJ-UHFFFAOYSA-N 1 2 215.218 2.722 20 30 BFEDLO C=CC[N@H+](C)Cc1ccc(F)c(F)c1F ZINC000668010810 488184317 /nfs/dbraw/zinc/18/43/17/488184317.db2.gz JPSNVNLQKNVILJ-UHFFFAOYSA-N 1 2 215.218 2.722 20 30 BFEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000678220491 488220881 /nfs/dbraw/zinc/22/08/81/488220881.db2.gz WBLHDWMUSNHNDX-JSGCOSHPSA-N 1 2 249.379 2.923 20 30 BFEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000678220491 488220884 /nfs/dbraw/zinc/22/08/84/488220884.db2.gz WBLHDWMUSNHNDX-JSGCOSHPSA-N 1 2 249.379 2.923 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000491792864 490119811 /nfs/dbraw/zinc/11/98/11/490119811.db2.gz HUDKSHRKWPSGHY-VIFPVBQESA-N 1 2 248.326 2.889 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000491792864 490119817 /nfs/dbraw/zinc/11/98/17/490119817.db2.gz HUDKSHRKWPSGHY-VIFPVBQESA-N 1 2 248.326 2.889 20 30 BFEDLO C=C(CC)C[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000358512665 534418531 /nfs/dbraw/zinc/41/85/31/534418531.db2.gz UEGGVBUWMKDRGA-UHFFFAOYSA-N 1 2 235.331 2.703 20 30 BFEDLO C=C(CC)C[NH2+]C1(C(=O)OC)CCC(C)CC1 ZINC000358620045 534417308 /nfs/dbraw/zinc/41/73/08/534417308.db2.gz JVWBHMYVSPZPIP-UHFFFAOYSA-N 1 2 239.359 2.664 20 30 BFEDLO C=CCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000341428788 534773193 /nfs/dbraw/zinc/77/31/93/534773193.db2.gz SGFVSISHSLDBSM-UHFFFAOYSA-N 1 2 231.343 2.676 20 30 BFEDLO C=CCCOCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000229869818 534780078 /nfs/dbraw/zinc/78/00/78/534780078.db2.gz HLNRTGSXJQQDFU-UHFFFAOYSA-N 1 2 249.358 2.913 20 30 BFEDLO C=CC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120698140 534854866 /nfs/dbraw/zinc/85/48/66/534854866.db2.gz GTPAVAFUIBFXEQ-CMPLNLGQSA-N 1 2 223.341 2.696 20 30 BFEDLO C=CC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120698140 534854870 /nfs/dbraw/zinc/85/48/70/534854870.db2.gz GTPAVAFUIBFXEQ-CMPLNLGQSA-N 1 2 223.341 2.696 20 30 BFEDLO C=CCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000341797243 534882645 /nfs/dbraw/zinc/88/26/45/534882645.db2.gz CCACXASDLUREML-ZDUSSCGKSA-N 1 2 244.338 2.843 20 30 BFEDLO C=CCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000341797243 534882648 /nfs/dbraw/zinc/88/26/48/534882648.db2.gz CCACXASDLUREML-ZDUSSCGKSA-N 1 2 244.338 2.843 20 30 BFEDLO C#CC[N@@H+](CC)Cc1ccc(C#N)cc1Cl ZINC000490712166 526896670 /nfs/dbraw/zinc/89/66/70/526896670.db2.gz DCMLIHKRFYJXKE-UHFFFAOYSA-N 1 2 232.714 2.667 20 30 BFEDLO C#CC[N@H+](CC)Cc1ccc(C#N)cc1Cl ZINC000490712166 526896677 /nfs/dbraw/zinc/89/66/77/526896677.db2.gz DCMLIHKRFYJXKE-UHFFFAOYSA-N 1 2 232.714 2.667 20 30 BFEDLO C=CCCCC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000471882023 527170520 /nfs/dbraw/zinc/17/05/20/527170520.db2.gz WFXYDSCZNWETOM-CQSZACIVSA-N 1 2 247.338 2.847 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1sccc1Cl ZINC000306420591 527214567 /nfs/dbraw/zinc/21/45/67/527214567.db2.gz GEQBICFONOCESJ-MRVPVSSYSA-N 1 2 213.733 2.855 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1sccc1Cl ZINC000306420591 527214573 /nfs/dbraw/zinc/21/45/73/527214573.db2.gz GEQBICFONOCESJ-MRVPVSSYSA-N 1 2 213.733 2.855 20 30 BFEDLO CC(C)CC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000361256973 534946487 /nfs/dbraw/zinc/94/64/87/534946487.db2.gz DPYZTWKURVDDGA-AWEZNQCLSA-N 1 2 238.375 2.552 20 30 BFEDLO CC(C)CC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000361256973 534946490 /nfs/dbraw/zinc/94/64/90/534946490.db2.gz DPYZTWKURVDDGA-AWEZNQCLSA-N 1 2 238.375 2.552 20 30 BFEDLO CCCCCCC[S@](=O)Cc1c[nH+]cn1C ZINC000268714499 534988673 /nfs/dbraw/zinc/98/86/73/534988673.db2.gz FQOUPIBVSZFJOG-INIZCTEOSA-N 1 2 242.388 2.639 20 30 BFEDLO CC[C@@H](C#N)Nc1ccc([NH+](C)C)cc1C ZINC000122206411 535396565 /nfs/dbraw/zinc/39/65/65/535396565.db2.gz UQAOEMQTKXLVHH-NSHDSACASA-N 1 2 217.316 2.775 20 30 BFEDLO CCOc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000299154614 535505677 /nfs/dbraw/zinc/50/56/77/535505677.db2.gz HGVJSOZAYMJJBF-LBPRGKRZSA-N 1 2 232.327 2.677 20 30 BFEDLO CCOc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000299154614 535505682 /nfs/dbraw/zinc/50/56/82/535505682.db2.gz HGVJSOZAYMJJBF-LBPRGKRZSA-N 1 2 232.327 2.677 20 30 BFEDLO CC[C@H](CC#N)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287553240 536052156 /nfs/dbraw/zinc/05/21/56/536052156.db2.gz PBSDOECZPMZGET-LLVKDONJSA-N 1 2 246.314 2.512 20 30 BFEDLO CCc1ccc(C[N@H+](CC)C[C@H](C)C#N)cn1 ZINC000347620099 536172668 /nfs/dbraw/zinc/17/26/68/536172668.db2.gz YBPBZVUILMPNOZ-GFCCVEGCSA-N 1 2 231.343 2.626 20 30 BFEDLO CCc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cn1 ZINC000347620099 536172670 /nfs/dbraw/zinc/17/26/70/536172670.db2.gz YBPBZVUILMPNOZ-GFCCVEGCSA-N 1 2 231.343 2.626 20 30 BFEDLO C[N@H+](Cc1ccccc1F)CC(C)(C)C#N ZINC000258832592 536482777 /nfs/dbraw/zinc/48/27/77/536482777.db2.gz BIIZTNWWMXQEIB-UHFFFAOYSA-N 1 2 220.291 2.807 20 30 BFEDLO C[N@@H+](Cc1ccccc1F)CC(C)(C)C#N ZINC000258832592 536482778 /nfs/dbraw/zinc/48/27/78/536482778.db2.gz BIIZTNWWMXQEIB-UHFFFAOYSA-N 1 2 220.291 2.807 20 30 BFEDLO COC[C@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000298621286 536876628 /nfs/dbraw/zinc/87/66/28/536876628.db2.gz UVKMPUPJWPOVNJ-LBPRGKRZSA-N 1 2 238.718 2.531 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@H]1CCC[C@H](OC)C1 ZINC001172943136 974997349 /nfs/dbraw/zinc/99/73/49/974997349.db2.gz LSMIXXLBFRWANJ-STQMWFEESA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[N@H+](CC#N)[C@H]1CCC[C@@H](OC)C1 ZINC001172943135 974998295 /nfs/dbraw/zinc/99/82/95/974998295.db2.gz LSMIXXLBFRWANJ-QWHCGFSZSA-N 1 2 224.348 2.570 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@H]1CCC[C@@H](OC)C1 ZINC001172943135 974998304 /nfs/dbraw/zinc/99/83/04/974998304.db2.gz LSMIXXLBFRWANJ-QWHCGFSZSA-N 1 2 224.348 2.570 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC1=CCCC1 ZINC000852997914 588715034 /nfs/dbraw/zinc/71/50/34/588715034.db2.gz DWUOHNRIIFMMAI-GXDHUFHOSA-N 1 2 201.269 2.921 20 30 BFEDLO Cc1cccc(NN=Cc2c[nH+]c3n2CCC3)c1 ZINC000853258648 588729973 /nfs/dbraw/zinc/72/99/73/588729973.db2.gz XUAKWLKANCNDGM-UHFFFAOYSA-N 1 2 240.310 2.584 20 30 BFEDLO Cc1ccc(N=NCc2[nH+]ccn2C(C)C)nc1 ZINC000853300820 588731415 /nfs/dbraw/zinc/73/14/15/588731415.db2.gz FBDMPEOCOKMOPR-UHFFFAOYSA-N 1 2 243.314 2.613 20 30 BFEDLO C=C(Cl)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000854054964 588772695 /nfs/dbraw/zinc/77/26/95/588772695.db2.gz DAEMPTZJYBRTIE-UHFFFAOYSA-N 1 2 239.750 2.547 20 30 BFEDLO C=C(Cl)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000854054964 588772696 /nfs/dbraw/zinc/77/26/96/588772696.db2.gz DAEMPTZJYBRTIE-UHFFFAOYSA-N 1 2 239.750 2.547 20 30 BFEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000625705170 582686493 /nfs/dbraw/zinc/68/64/93/582686493.db2.gz YCVKTLSIPFDRCA-NSHDSACASA-N 1 2 249.358 2.765 20 30 BFEDLO C=CC[C@H]1CC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000625705170 582686494 /nfs/dbraw/zinc/68/64/94/582686494.db2.gz YCVKTLSIPFDRCA-NSHDSACASA-N 1 2 249.358 2.765 20 30 BFEDLO CC(C)Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000891716277 582712753 /nfs/dbraw/zinc/71/27/53/582712753.db2.gz NDPHTTIDXBHENN-ZDUSSCGKSA-N 1 2 245.370 2.872 20 30 BFEDLO CC(C)Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000891716277 582712755 /nfs/dbraw/zinc/71/27/55/582712755.db2.gz NDPHTTIDXBHENN-ZDUSSCGKSA-N 1 2 245.370 2.872 20 30 BFEDLO C#CC[N@@H+](Cc1nc(C(C)(C)C)co1)C1CC1 ZINC000893612119 583173306 /nfs/dbraw/zinc/17/33/06/583173306.db2.gz NHEIPSVFFANEMP-UHFFFAOYSA-N 1 2 232.327 2.570 20 30 BFEDLO C#CC[N@H+](Cc1nc(C(C)(C)C)co1)C1CC1 ZINC000893612119 583173308 /nfs/dbraw/zinc/17/33/08/583173308.db2.gz NHEIPSVFFANEMP-UHFFFAOYSA-N 1 2 232.327 2.570 20 30 BFEDLO CSc1ccc(C[N@H+](C)C[C@H](C)C#N)o1 ZINC000893961042 583256570 /nfs/dbraw/zinc/25/65/70/583256570.db2.gz CASIICXHQRKIQG-SECBINFHSA-N 1 2 224.329 2.593 20 30 BFEDLO CSc1ccc(C[N@@H+](C)C[C@H](C)C#N)o1 ZINC000893961042 583256573 /nfs/dbraw/zinc/25/65/73/583256573.db2.gz CASIICXHQRKIQG-SECBINFHSA-N 1 2 224.329 2.593 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)C/C=C\c1cccc(F)c1 ZINC000893995132 583268242 /nfs/dbraw/zinc/26/82/42/583268242.db2.gz MQUILAOAVLBNSP-TXNVCOODSA-N 1 2 232.302 2.930 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC000893995132 583268244 /nfs/dbraw/zinc/26/82/44/583268244.db2.gz MQUILAOAVLBNSP-TXNVCOODSA-N 1 2 232.302 2.930 20 30 BFEDLO Cc1coc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000894002999 583272477 /nfs/dbraw/zinc/27/24/77/583272477.db2.gz BTNLEOLGCXQAKU-UHFFFAOYSA-N 1 2 218.300 2.714 20 30 BFEDLO Cc1coc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000894002999 583272480 /nfs/dbraw/zinc/27/24/80/583272480.db2.gz BTNLEOLGCXQAKU-UHFFFAOYSA-N 1 2 218.300 2.714 20 30 BFEDLO CC(C)c1c[nH]c(CN2CCC[C@](C)(C#N)C2)[nH+]1 ZINC000894444492 583460567 /nfs/dbraw/zinc/46/05/67/583460567.db2.gz KERDRQIDGLCERE-CQSZACIVSA-N 1 2 246.358 2.659 20 30 BFEDLO C[C@@]1(F)CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000894659561 583503974 /nfs/dbraw/zinc/50/39/74/583503974.db2.gz VQGAVPQTIMHHSH-GFCCVEGCSA-N 1 2 238.331 2.944 20 30 BFEDLO C[C@@]1(F)CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000894659561 583503977 /nfs/dbraw/zinc/50/39/77/583503977.db2.gz VQGAVPQTIMHHSH-GFCCVEGCSA-N 1 2 238.331 2.944 20 30 BFEDLO CCc1onc(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000895140351 583602906 /nfs/dbraw/zinc/60/29/06/583602906.db2.gz CKDFFJLJTUMLEU-UHFFFAOYSA-N 1 2 247.342 2.719 20 30 BFEDLO C=CC[C@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895250896 583633179 /nfs/dbraw/zinc/63/31/79/583633179.db2.gz PQAOEPLSSSDUDN-ZDUSSCGKSA-N 1 2 233.359 2.815 20 30 BFEDLO C=CC[C@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895250896 583633180 /nfs/dbraw/zinc/63/31/80/583633180.db2.gz PQAOEPLSSSDUDN-ZDUSSCGKSA-N 1 2 233.359 2.815 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(C)o1 ZINC000896503290 583807716 /nfs/dbraw/zinc/80/77/16/583807716.db2.gz MOGSJHFICKEQRH-GFCCVEGCSA-N 1 2 218.300 2.632 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)c(C)o1 ZINC000896503290 583807718 /nfs/dbraw/zinc/80/77/18/583807718.db2.gz MOGSJHFICKEQRH-GFCCVEGCSA-N 1 2 218.300 2.632 20 30 BFEDLO Cc1sccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896503186 583807722 /nfs/dbraw/zinc/80/77/22/583807722.db2.gz JBIFYUJKYPBCEP-NSHDSACASA-N 1 2 220.341 2.792 20 30 BFEDLO Cc1sccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896503186 583807724 /nfs/dbraw/zinc/80/77/24/583807724.db2.gz JBIFYUJKYPBCEP-NSHDSACASA-N 1 2 220.341 2.792 20 30 BFEDLO Cc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1F ZINC000896507160 583808409 /nfs/dbraw/zinc/80/84/09/583808409.db2.gz YSTXHRARBUYSGZ-GFCCVEGCSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1F ZINC000896507160 583808411 /nfs/dbraw/zinc/80/84/11/583808411.db2.gz YSTXHRARBUYSGZ-GFCCVEGCSA-N 1 2 232.302 2.870 20 30 BFEDLO C=C(C)CC/[NH+]=C\c1c(O)cccc1OC ZINC000840705847 583839362 /nfs/dbraw/zinc/83/93/62/583839362.db2.gz FYHRDEYDBYJFCO-ZROIWOOFSA-N 1 2 219.284 2.786 20 30 BFEDLO C[C@@H]1C[C@@H](/[NH+]=C/c2ccccc2O)CS1 ZINC000840711412 583879029 /nfs/dbraw/zinc/87/90/29/583879029.db2.gz QTIWNKCCDXDJOH-QXXCSVSMSA-N 1 2 221.325 2.705 20 30 BFEDLO CC#CC[N@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000897165924 583886608 /nfs/dbraw/zinc/88/66/08/583886608.db2.gz FIKABEXXSDMNMR-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO CC#CC[N@@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000897165924 583886611 /nfs/dbraw/zinc/88/66/11/583886611.db2.gz FIKABEXXSDMNMR-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO CC#CC[N@H+](C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000897165924 583886614 /nfs/dbraw/zinc/88/66/14/583886614.db2.gz FIKABEXXSDMNMR-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO CC#CC[N@@H+](C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000897165924 583886615 /nfs/dbraw/zinc/88/66/15/583886615.db2.gz FIKABEXXSDMNMR-UHFFFAOYSA-N 1 2 239.322 2.532 20 30 BFEDLO O=C1c2cc(F)cc(F)c2C/C1=C/c1[nH]cc[nH+]1 ZINC000751536484 583915215 /nfs/dbraw/zinc/91/52/15/583915215.db2.gz RCYMLQCFAHDUBX-DAXSKMNVSA-N 1 2 246.216 2.510 20 30 BFEDLO C#C[C@H]1CCCCN1c1cc[nH+]c(C(C)C)n1 ZINC000897360392 583938567 /nfs/dbraw/zinc/93/85/67/583938567.db2.gz FMZTXAAJHHXWHT-LBPRGKRZSA-N 1 2 229.327 2.592 20 30 BFEDLO C#C[C@@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000897361095 583938792 /nfs/dbraw/zinc/93/87/92/583938792.db2.gz ZDABUPGSTMXZAY-CYBMUJFWSA-N 1 2 241.338 2.655 20 30 BFEDLO C#C[C@H]1CCCCN1c1cc[nH+]c2ccncc21 ZINC000897360984 583939174 /nfs/dbraw/zinc/93/91/74/583939174.db2.gz WBBREPSWJNKWLP-LBPRGKRZSA-N 1 2 237.306 2.622 20 30 BFEDLO CC(C)C(C[N@@H+]1CCO[C@](C)(C#N)C1)C(C)C ZINC000897586143 584021797 /nfs/dbraw/zinc/02/17/97/584021797.db2.gz GWFBMFGVLQKFGU-CQSZACIVSA-N 1 2 238.375 2.529 20 30 BFEDLO CC(C)C(C[N@H+]1CCO[C@](C)(C#N)C1)C(C)C ZINC000897586143 584021800 /nfs/dbraw/zinc/02/18/00/584021800.db2.gz GWFBMFGVLQKFGU-CQSZACIVSA-N 1 2 238.375 2.529 20 30 BFEDLO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCO[C@](C)(C#N)C2)C1 ZINC000897584890 584021875 /nfs/dbraw/zinc/02/18/75/584021875.db2.gz MIAYJYXROZUGBU-NWANDNLSSA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCO[C@](C)(C#N)C2)C1 ZINC000897584890 584021876 /nfs/dbraw/zinc/02/18/76/584021876.db2.gz MIAYJYXROZUGBU-NWANDNLSSA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCO[C@](C)(C#N)C1 ZINC000897585192 584021925 /nfs/dbraw/zinc/02/19/25/584021925.db2.gz RPMWUABBSQTGHP-RRFJBIMHSA-N 1 2 248.370 2.593 20 30 BFEDLO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@](C)(C#N)C1 ZINC000897585192 584021927 /nfs/dbraw/zinc/02/19/27/584021927.db2.gz RPMWUABBSQTGHP-RRFJBIMHSA-N 1 2 248.370 2.593 20 30 BFEDLO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(C#N)c1O ZINC000866244326 584116685 /nfs/dbraw/zinc/11/66/85/584116685.db2.gz ZVVUKNTVPFAYDJ-JFGNBEQYSA-N 1 2 230.311 2.570 20 30 BFEDLO COC[C@H](C/[NH+]=C/c1ccccc1O)C(C)C ZINC000899227396 584182770 /nfs/dbraw/zinc/18/27/70/584182770.db2.gz KQQWPSJQBTYKDL-LIOBOASVSA-N 1 2 235.327 2.730 20 30 BFEDLO Oc1ccc(/C=[NH+]/CCC2CC=CC2)c(O)c1O ZINC000899226769 584182782 /nfs/dbraw/zinc/18/27/82/584182782.db2.gz YMYBMKKGSOAPEW-OQLLNIDSSA-N 1 2 247.294 2.579 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NC/C=C/C ZINC000858800591 588976622 /nfs/dbraw/zinc/97/66/22/588976622.db2.gz RTTBKEWGOWYPPT-GQCTYLIASA-N 1 2 230.311 2.862 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1NC/C=C\C ZINC000858800592 588976709 /nfs/dbraw/zinc/97/67/09/588976709.db2.gz RTTBKEWGOWYPPT-XQRVVYSFSA-N 1 2 230.311 2.862 20 30 BFEDLO C(=[NH+]n1nnc2c1CCCC2)C1CCCCC1 ZINC000901334380 584426396 /nfs/dbraw/zinc/42/63/96/584426396.db2.gz TYXUJERONOXETO-UHFFFAOYSA-N 1 2 232.331 2.571 20 30 BFEDLO CC(C)c1c[nH]c(C=CC(=O)c2cscn2)[nH+]1 ZINC000901488412 584452462 /nfs/dbraw/zinc/45/24/62/584452462.db2.gz KHJPNUWCYFUTFZ-ONEGZZNKSA-N 1 2 247.323 2.886 20 30 BFEDLO Cn1c[nH+]c2cc(OCC3(CC#N)CC3)ccc21 ZINC000902781301 584670323 /nfs/dbraw/zinc/67/03/23/584670323.db2.gz NDLMGRQMKJTPGP-UHFFFAOYSA-N 1 2 241.294 2.646 20 30 BFEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cn1 ZINC000903033516 584718580 /nfs/dbraw/zinc/71/85/80/584718580.db2.gz WMGDAMAJIJQGNI-JTQLQIEISA-N 1 2 233.290 2.565 20 30 BFEDLO CC(C)(C#N)C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000903101911 584727638 /nfs/dbraw/zinc/72/76/38/584727638.db2.gz PJRCICULZKIXLZ-JTQLQIEISA-N 1 2 249.745 2.862 20 30 BFEDLO Cc1cc([C@H](C)[NH2+]CC2(C#N)CC2)oc1C ZINC000903106428 584728594 /nfs/dbraw/zinc/72/85/94/584728594.db2.gz QCXHRGOWDSPUQM-JTQLQIEISA-N 1 2 218.300 2.851 20 30 BFEDLO CC(=[NH+]OC(C)C)c1cc(N)ccc1F ZINC000834999866 584916962 /nfs/dbraw/zinc/91/69/62/584916962.db2.gz FIQFVRHSGOFSHL-UHFFFAOYSA-N 1 2 210.252 2.557 20 30 BFEDLO C=CCON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000835012973 584917783 /nfs/dbraw/zinc/91/77/83/584917783.db2.gz CHHMDRSONPYPIC-UHFFFAOYSA-N 1 2 230.311 2.581 20 30 BFEDLO Fc1c(Cl)cccc1N=NCc1[nH]cc[nH+]1 ZINC000731153558 584922927 /nfs/dbraw/zinc/92/29/27/584922927.db2.gz ROECIWZKFOPLTI-UHFFFAOYSA-N 1 2 238.653 2.648 20 30 BFEDLO Cc1cccc2c1C/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000731159824 584923021 /nfs/dbraw/zinc/92/30/21/584923021.db2.gz WVRLVXKAXJFMCK-NTMALXAHSA-N 1 2 224.263 2.541 20 30 BFEDLO CCCCCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733884165 584954098 /nfs/dbraw/zinc/95/40/98/584954098.db2.gz CMEZCJHFMFFGFA-UHFFFAOYSA-N 1 2 249.358 2.627 20 30 BFEDLO C#Cc1ccc(C[NH2+]Cc2coc(CC)n2)cc1 ZINC000825062536 585029032 /nfs/dbraw/zinc/02/90/32/585029032.db2.gz ZUBCKNNTHFKZLU-UHFFFAOYSA-N 1 2 240.306 2.508 20 30 BFEDLO CC(=[NH+]OCc1ccccc1)c1csc(N)n1 ZINC000839423905 585103611 /nfs/dbraw/zinc/10/36/11/585103611.db2.gz XTOFLJFIWDAOLP-UHFFFAOYSA-N 1 2 247.323 2.666 20 30 BFEDLO C=CCOC(=O)CCC[NH2+]c1ccc(OC)cc1 ZINC000745060573 585155790 /nfs/dbraw/zinc/15/57/90/585155790.db2.gz USTDXMCQDWLGFO-UHFFFAOYSA-N 1 2 249.310 2.617 20 30 BFEDLO C#CC[N@@H+](CC)[C@@H](C)c1c(F)cccc1F ZINC000746144041 585163824 /nfs/dbraw/zinc/16/38/24/585163824.db2.gz JREDLABBZWAFNO-JTQLQIEISA-N 1 2 223.266 2.981 20 30 BFEDLO C#CC[N@H+](CC)[C@@H](C)c1c(F)cccc1F ZINC000746144041 585163825 /nfs/dbraw/zinc/16/38/25/585163825.db2.gz JREDLABBZWAFNO-JTQLQIEISA-N 1 2 223.266 2.981 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1cccc(C)n1 ZINC000749336661 585201383 /nfs/dbraw/zinc/20/13/83/585201383.db2.gz UVDCPUPNPWGAAV-UHFFFAOYSA-N 1 2 210.708 2.574 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1cccc(C)n1 ZINC000749336661 585201384 /nfs/dbraw/zinc/20/13/84/585201384.db2.gz UVDCPUPNPWGAAV-UHFFFAOYSA-N 1 2 210.708 2.574 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)C[C@H]1CC1(Cl)Cl ZINC000750283180 585212727 /nfs/dbraw/zinc/21/27/27/585212727.db2.gz BOHILPSZCIWDTE-RKDXNWHRSA-N 1 2 235.158 2.662 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CC1(Cl)Cl ZINC000750283180 585212728 /nfs/dbraw/zinc/21/27/28/585212728.db2.gz BOHILPSZCIWDTE-RKDXNWHRSA-N 1 2 235.158 2.662 20 30 BFEDLO Oc1cccc(/C=[NH+]/CCC2CCC2)c1O ZINC000755031028 585293671 /nfs/dbraw/zinc/29/36/71/585293671.db2.gz FBKCMKZCTPJMML-NTEUORMPSA-N 1 2 219.284 2.707 20 30 BFEDLO C#CC[C@H](Nc1cc(C)[nH+]cn1)c1ccccc1 ZINC000756957054 585325783 /nfs/dbraw/zinc/32/57/83/585325783.db2.gz KDQHFHXROFDWFP-AWEZNQCLSA-N 1 2 237.306 2.962 20 30 BFEDLO C=C(CC)C[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839585049 585331971 /nfs/dbraw/zinc/33/19/71/585331971.db2.gz NSBLVSAQWLMCDQ-UHFFFAOYSA-N 1 2 241.766 2.780 20 30 BFEDLO C=C(CC)C[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839585049 585331972 /nfs/dbraw/zinc/33/19/72/585331972.db2.gz NSBLVSAQWLMCDQ-UHFFFAOYSA-N 1 2 241.766 2.780 20 30 BFEDLO CC(=[NH+]Nc1ccccn1)c1ccc(N)cc1C ZINC000758097009 585348852 /nfs/dbraw/zinc/34/88/52/585348852.db2.gz YZVZJUUCPRTARE-UHFFFAOYSA-N 1 2 240.310 2.808 20 30 BFEDLO CCOc1ccc(/C=[NH+]\C2CC=CC2)c(O)c1 ZINC000759641638 585377871 /nfs/dbraw/zinc/37/78/71/585377871.db2.gz DGVUDJGYYGZERP-GDNBJRDFSA-N 1 2 231.295 2.928 20 30 BFEDLO CCOC(=O)CC[C@@H](C)/[NH+]=C\c1ccccc1O ZINC000760229919 585387050 /nfs/dbraw/zinc/38/70/50/585387050.db2.gz TYXGIDDVYDGVNX-MKVLZVNKSA-N 1 2 249.310 2.543 20 30 BFEDLO Cc1cc(C=NNc2[nH+]ccn2C)ccc1Cl ZINC000790300267 585395218 /nfs/dbraw/zinc/39/52/18/585395218.db2.gz QGSKAHHLABEKRI-UHFFFAOYSA-N 1 2 248.717 2.828 20 30 BFEDLO C[C@@H]1CC(/[NH+]=C\c2ccccc2O)C[C@H](C)O1 ZINC000767878622 585527379 /nfs/dbraw/zinc/52/73/79/585527379.db2.gz OPXNPTXVAWQYLX-CJKLVULYSA-N 1 2 233.311 2.767 20 30 BFEDLO C=CC[NH+](CC=C)Cc1coc(C2CC2)n1 ZINC000768137593 585532619 /nfs/dbraw/zinc/53/26/19/585532619.db2.gz OBYGTFHHTBWNRU-UHFFFAOYSA-N 1 2 218.300 2.726 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cncc2ccccc21 ZINC000768244398 585534757 /nfs/dbraw/zinc/53/47/57/585534757.db2.gz KSVHGYNYJJSNPV-UHFFFAOYSA-N 1 2 239.322 2.970 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cncc2ccccc21 ZINC000768244398 585534758 /nfs/dbraw/zinc/53/47/58/585534758.db2.gz KSVHGYNYJJSNPV-UHFFFAOYSA-N 1 2 239.322 2.970 20 30 BFEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)cnc1Cl ZINC000769192184 585550981 /nfs/dbraw/zinc/55/09/81/585550981.db2.gz GPGGSCRJGKYXQK-UHFFFAOYSA-N 1 2 249.745 2.779 20 30 BFEDLO CCC1(O)CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000771519496 585595429 /nfs/dbraw/zinc/59/54/29/585595429.db2.gz GKMXOLXMEIOGSH-WJDWOHSUSA-N 1 2 247.338 2.895 20 30 BFEDLO Cc1ccc(CCC=NOCC(F)(F)F)c[nH+]1 ZINC000774396571 585657334 /nfs/dbraw/zinc/65/73/34/585657334.db2.gz IUQNFFZXANTYHJ-UHFFFAOYSA-N 1 2 246.232 2.887 20 30 BFEDLO Cc1ccc(CCC=NOC2CCOCC2)c[nH+]1 ZINC000774452018 585659587 /nfs/dbraw/zinc/65/95/87/585659587.db2.gz GPFIDUIHNHORQC-UHFFFAOYSA-N 1 2 248.326 2.504 20 30 BFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000775647115 585681583 /nfs/dbraw/zinc/68/15/83/585681583.db2.gz OHXSYYAKYNFBDB-TVQRCGJNSA-N 1 2 232.714 2.806 20 30 BFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000775647115 585681584 /nfs/dbraw/zinc/68/15/84/585681584.db2.gz OHXSYYAKYNFBDB-TVQRCGJNSA-N 1 2 232.714 2.806 20 30 BFEDLO CO[C@@H]1[C@H](C)[C@@H](/[NH+]=C\c2ccccc2O)C1(C)C ZINC000775632136 585682157 /nfs/dbraw/zinc/68/21/57/585682157.db2.gz WEAHTIKBTNPTDP-PPTIXKMRSA-N 1 2 247.338 2.871 20 30 BFEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000775647114 585682432 /nfs/dbraw/zinc/68/24/32/585682432.db2.gz OHXSYYAKYNFBDB-RNCFNFMXSA-N 1 2 232.714 2.806 20 30 BFEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000775647114 585682433 /nfs/dbraw/zinc/68/24/33/585682433.db2.gz OHXSYYAKYNFBDB-RNCFNFMXSA-N 1 2 232.714 2.806 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc(CF)cc1 ZINC000777600394 585717026 /nfs/dbraw/zinc/71/70/26/585717026.db2.gz YKXAKBONNGIQML-UHFFFAOYSA-N 1 2 206.264 2.502 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc(CF)cc1 ZINC000777600394 585717027 /nfs/dbraw/zinc/71/70/27/585717027.db2.gz YKXAKBONNGIQML-UHFFFAOYSA-N 1 2 206.264 2.502 20 30 BFEDLO C#CCCCCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000781994445 585806234 /nfs/dbraw/zinc/80/62/34/585806234.db2.gz ZFQQQXPLGLEDLB-GFCCVEGCSA-N 1 2 247.342 2.561 20 30 BFEDLO Cc1cc(C(N)=[NH+]OCCC2CC2)ccc1F ZINC000783553322 585836660 /nfs/dbraw/zinc/83/66/60/585836660.db2.gz LXVQNKOZZZLAIF-UHFFFAOYSA-N 1 2 236.290 2.571 20 30 BFEDLO CC(C)=CCC/[NH+]=C/c1cccc(O)c1O ZINC000790100236 585958294 /nfs/dbraw/zinc/95/82/94/585958294.db2.gz GNNJHFKVBQGSHK-NTEUORMPSA-N 1 2 219.284 2.873 20 30 BFEDLO CC(=NNc1[nH+]ccn1C)c1ccc(C)s1 ZINC000790299928 585962718 /nfs/dbraw/zinc/96/27/18/585962718.db2.gz MABGDOOMDFEGBB-UHFFFAOYSA-N 1 2 234.328 2.626 20 30 BFEDLO C=CCCC/[NH+]=C/c1c(O)cccc1OC ZINC000790598826 585966813 /nfs/dbraw/zinc/96/68/13/585966813.db2.gz PESQBUHMOUJGHY-GXDHUFHOSA-N 1 2 219.284 2.786 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1cc(C)cc(C)c1O ZINC000793561642 586022886 /nfs/dbraw/zinc/02/28/86/586022886.db2.gz WSIPIXBKKSLDLM-UHFFFAOYSA-N 1 2 244.338 2.911 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1cc(C)cc(C)c1O ZINC000793561642 586022887 /nfs/dbraw/zinc/02/28/87/586022887.db2.gz WSIPIXBKKSLDLM-UHFFFAOYSA-N 1 2 244.338 2.911 20 30 BFEDLO CO[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000794489291 586040567 /nfs/dbraw/zinc/04/05/67/586040567.db2.gz TUTOHNQMEOAXFH-UHFFFAOYSA-N 1 2 246.232 2.752 20 30 BFEDLO COc1cccc(/C=[NH+]\[C@@H]2CC[C@H]2C)c1O ZINC000794677498 586046858 /nfs/dbraw/zinc/04/68/58/586046858.db2.gz VNLRZEDBQJCELI-FSJDBVLPSA-N 1 2 219.284 2.618 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)Cc1ccccc1 ZINC000795206890 586071742 /nfs/dbraw/zinc/07/17/42/586071742.db2.gz RIMJDBIZDCUEGZ-UHFFFAOYSA-N 1 2 218.300 2.694 20 30 BFEDLO N#CCC[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC000796449619 586103270 /nfs/dbraw/zinc/10/32/70/586103270.db2.gz JTUHWICWWKFRMS-AWEZNQCLSA-N 1 2 240.310 2.544 20 30 BFEDLO C#CC[N@@H+](CC(=C)Cl)Cc1ccccc1 ZINC000796641822 586108809 /nfs/dbraw/zinc/10/88/09/586108809.db2.gz UEOXQPVWTCABDZ-UHFFFAOYSA-N 1 2 219.715 2.874 20 30 BFEDLO C#CC[N@H+](CC(=C)Cl)Cc1ccccc1 ZINC000796641822 586108810 /nfs/dbraw/zinc/10/88/10/586108810.db2.gz UEOXQPVWTCABDZ-UHFFFAOYSA-N 1 2 219.715 2.874 20 30 BFEDLO Cc1ccccc1C(N)=[NH+]OCCC(C)(C)C#N ZINC000799959662 586203530 /nfs/dbraw/zinc/20/35/30/586203530.db2.gz JKJFAUBMBGOAIP-UHFFFAOYSA-N 1 2 245.326 2.781 20 30 BFEDLO Cc1ccsc1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000800792668 586229489 /nfs/dbraw/zinc/22/94/89/586229489.db2.gz CAIGGRMNTJLHMF-ONEGZZNKSA-N 1 2 232.308 2.686 20 30 BFEDLO CC(=NN[C@@H]1CCCC1(C)C)c1cn(C)c(C)[nH+]1 ZINC000800817538 586232680 /nfs/dbraw/zinc/23/26/80/586232680.db2.gz ONKPTDGXFVWPKQ-CYBMUJFWSA-N 1 2 248.374 2.621 20 30 BFEDLO Nc1ccc(C=[NH+]Nc2ccccc2Cl)cn1 ZINC000807944380 586452477 /nfs/dbraw/zinc/45/24/77/586452477.db2.gz YLGIGAJYRQLMNN-UHFFFAOYSA-N 1 2 246.701 2.763 20 30 BFEDLO CC(C)=CCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000808253569 586469077 /nfs/dbraw/zinc/46/90/77/586469077.db2.gz UOFBGCLLLWXPOZ-UHFFFAOYSA-N 1 2 236.290 2.737 20 30 BFEDLO NC(=[NH+]OC1CCC1)c1ccc(Cl)cc1 ZINC000814265792 586620845 /nfs/dbraw/zinc/62/08/45/586620845.db2.gz XUOBELXAJGXFRN-UHFFFAOYSA-N 1 2 224.691 2.529 20 30 BFEDLO C[N@H+](Cc1ccnc(Cl)c1)CC(C)(C)C#N ZINC000814669833 586628567 /nfs/dbraw/zinc/62/85/67/586628567.db2.gz JILNHWGXBVXCPO-UHFFFAOYSA-N 1 2 237.734 2.717 20 30 BFEDLO C[N@@H+](Cc1ccnc(Cl)c1)CC(C)(C)C#N ZINC000814669833 586628570 /nfs/dbraw/zinc/62/85/70/586628570.db2.gz JILNHWGXBVXCPO-UHFFFAOYSA-N 1 2 237.734 2.717 20 30 BFEDLO CC(=NOCC(F)F)c1ccc(C)[nH+]c1C ZINC000814904077 586647293 /nfs/dbraw/zinc/64/72/93/586647293.db2.gz QJJRAFVUURTMHP-UHFFFAOYSA-N 1 2 228.242 2.704 20 30 BFEDLO CC(C)ON=C1CCc2ccc[nH+]c2CC1 ZINC000817330269 586795289 /nfs/dbraw/zinc/79/52/89/586795289.db2.gz KKUJFKKITASGAF-UHFFFAOYSA-N 1 2 218.300 2.741 20 30 BFEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000821785788 587137858 /nfs/dbraw/zinc/13/78/58/587137858.db2.gz HDZUAZLWTVUPIB-IJLUTSLNSA-N 1 2 247.342 2.607 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1ccnc(Cl)c1F ZINC000824153572 587258539 /nfs/dbraw/zinc/25/85/39/587258539.db2.gz OYURLALPINUXJC-UHFFFAOYSA-N 1 2 241.697 2.513 20 30 BFEDLO N#CCC1C[NH+](Cc2cc(Cl)cs2)C1 ZINC000826990987 587367000 /nfs/dbraw/zinc/36/70/00/587367000.db2.gz PZMWWNGYASEUSL-UHFFFAOYSA-N 1 2 226.732 2.747 20 30 BFEDLO C#CC[N@@H+](CC#CC)C[C@]1(C)CC1(Cl)Cl ZINC000827900125 587408772 /nfs/dbraw/zinc/40/87/72/587408772.db2.gz NTUXFDUGJDDPOJ-NSHDSACASA-N 1 2 244.165 2.529 20 30 BFEDLO C#CC[N@H+](CC#CC)C[C@]1(C)CC1(Cl)Cl ZINC000827900125 587408773 /nfs/dbraw/zinc/40/87/73/587408773.db2.gz NTUXFDUGJDDPOJ-NSHDSACASA-N 1 2 244.165 2.529 20 30 BFEDLO CCCCCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000832196194 587649565 /nfs/dbraw/zinc/64/95/65/587649565.db2.gz OTUFIAXSKSSWNP-LLVKDONJSA-N 1 2 237.334 2.905 20 30 BFEDLO CCCCCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000832196194 587649568 /nfs/dbraw/zinc/64/95/68/587649568.db2.gz OTUFIAXSKSSWNP-LLVKDONJSA-N 1 2 237.334 2.905 20 30 BFEDLO CC(C)c1ncc[nH+]c1NNC=C1CC1(F)F ZINC000834979127 587775435 /nfs/dbraw/zinc/77/54/35/587775435.db2.gz ZKTPAMINIKOJBP-MRVPVSSYSA-N 1 2 240.257 2.653 20 30 BFEDLO CC(C)=CCC/C(C)=C\C=[NH+]n1ccnn1 ZINC000835012863 587777955 /nfs/dbraw/zinc/77/79/55/587777955.db2.gz YCPMGATXEYKQFA-XLIJCWFISA-N 1 2 218.304 2.805 20 30 BFEDLO C=CCON=C(C)c1ccc(C)[nH+]c1C ZINC000835014289 587778157 /nfs/dbraw/zinc/77/81/57/587778157.db2.gz DTMUTDMACCLKNA-UHFFFAOYSA-N 1 2 204.273 2.625 20 30 BFEDLO C=CCC1(C(=O)OCc2c[nH+]cn2C)CCCC1 ZINC000835196336 587788469 /nfs/dbraw/zinc/78/84/69/587788469.db2.gz XKTLEKYWOVJXCP-UHFFFAOYSA-N 1 2 248.326 2.600 20 30 BFEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@@H](C)F)c1 ZINC000840704939 587917162 /nfs/dbraw/zinc/91/71/62/587917162.db2.gz DDSWTNMHPHNYGX-XBDQXEDDSA-N 1 2 239.290 2.958 20 30 BFEDLO COC1(CC/[NH+]=C/c2ccccc2O)CCC1 ZINC000840706443 587917217 /nfs/dbraw/zinc/91/72/17/587917217.db2.gz MHSAIHYJCKKLLQ-RVDMUPIBSA-N 1 2 233.311 2.770 20 30 BFEDLO COc1cccc(/C=[NH+]\C[C@@H]2C[C@H]2C2CC2)c1O ZINC000840710158 587917385 /nfs/dbraw/zinc/91/73/85/587917385.db2.gz PCRSHFGRRCBEAF-GKUYHTSYSA-N 1 2 245.322 2.866 20 30 BFEDLO CCCO[NH+]=Cc1cnc(N(CC)CC)s1 ZINC000842565390 588042306 /nfs/dbraw/zinc/04/23/06/588042306.db2.gz GNJCFOOIOYRAQW-UHFFFAOYSA-N 1 2 241.360 2.750 20 30 BFEDLO NC(=[NH+]OCC1=CCCC1)c1ccc(F)cc1 ZINC000842648200 588048185 /nfs/dbraw/zinc/04/81/85/588048185.db2.gz BWFNCZFJRVJNAL-UHFFFAOYSA-N 1 2 234.274 2.573 20 30 BFEDLO Oc1ccccc1/C=[NH+]\[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000843262960 588096268 /nfs/dbraw/zinc/09/62/68/588096268.db2.gz GUCCDCKYKPQSDM-UNNDUTLFSA-N 1 2 215.296 3.000 20 30 BFEDLO C[C@@H]1SCC[C@H]1/[NH+]=C/c1ccccc1O ZINC000843265210 588096548 /nfs/dbraw/zinc/09/65/48/588096548.db2.gz VJKGPTCNNMSBFG-VTQONVPZSA-N 1 2 221.325 2.705 20 30 BFEDLO C=C(Cl)C[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000844388227 588188769 /nfs/dbraw/zinc/18/87/69/588188769.db2.gz QFJFJQVVZYTXND-QWRGUYRKSA-N 1 2 217.740 2.628 20 30 BFEDLO C=C(Cl)C[N@@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000844388227 588188771 /nfs/dbraw/zinc/18/87/71/588188771.db2.gz QFJFJQVVZYTXND-QWRGUYRKSA-N 1 2 217.740 2.628 20 30 BFEDLO C=C[C@@H](C)ON=C1CCc2ccc[nH+]c2CC1 ZINC000844620956 588209609 /nfs/dbraw/zinc/20/96/09/588209609.db2.gz SSRVJXWUBXZULF-LLVKDONJSA-N 1 2 230.311 2.908 20 30 BFEDLO C=C[C@@H](C)ONC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000844668318 588212579 /nfs/dbraw/zinc/21/25/79/588212579.db2.gz SQPNTXDNDQQGBL-SNVBAGLBSA-N 1 2 249.314 2.634 20 30 BFEDLO CC[C@@H](CC#N)[NH2+]C/C(Cl)=C/Cl ZINC000846989346 588300784 /nfs/dbraw/zinc/30/07/84/588300784.db2.gz ZJCNEXDSDUTDBP-TVSKSKRASA-N 1 2 207.104 2.587 20 30 BFEDLO CCC(=NNCCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000848416337 588381410 /nfs/dbraw/zinc/38/14/10/588381410.db2.gz HUDCIVMXZNRHQW-GFCCVEGCSA-N 1 2 248.374 2.675 20 30 BFEDLO CC(CC1CCCC1)=NNCCCn1cc[nH+]c1 ZINC000848418874 588382024 /nfs/dbraw/zinc/38/20/24/588382024.db2.gz QRQCGFKNCBPPEL-UHFFFAOYSA-N 1 2 248.374 2.819 20 30 BFEDLO CC(C)[C@@H]1CCCC1N=NCCCn1cc[nH+]c1 ZINC000848418187 588382111 /nfs/dbraw/zinc/38/21/11/588382111.db2.gz JMIKIGBFPJIMSJ-ZDUSSCGKSA-N 1 2 248.374 2.675 20 30 BFEDLO CC1(C)CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848417631 588382317 /nfs/dbraw/zinc/38/23/17/588382317.db2.gz CHFSHVKAMKSHAW-UHFFFAOYSA-N 1 2 248.374 2.819 20 30 BFEDLO CCCCC(CC)N=NCCCn1cc[nH+]c1 ZINC000848418036 588382512 /nfs/dbraw/zinc/38/25/12/588382512.db2.gz JAIGCNKTPGPWDF-UHFFFAOYSA-N 1 2 236.363 2.819 20 30 BFEDLO CCCC(CCC)=NNCCCn1cc[nH+]c1 ZINC000848420023 588382772 /nfs/dbraw/zinc/38/27/72/588382772.db2.gz MYKUMILLNOBEBF-UHFFFAOYSA-N 1 2 236.363 2.819 20 30 BFEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(CCCC)no1 ZINC000852099292 588662626 /nfs/dbraw/zinc/66/26/26/588662626.db2.gz JHJSLZAOFGFPNJ-BXUZGUMPSA-N 1 2 249.358 2.865 20 30 BFEDLO C=C(C)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852324635 588678739 /nfs/dbraw/zinc/67/87/39/588678739.db2.gz AQYWODQRDVLLBZ-OAHLLOKOSA-N 1 2 241.338 2.515 20 30 BFEDLO C=C(C)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852324635 588678740 /nfs/dbraw/zinc/67/87/40/588678740.db2.gz AQYWODQRDVLLBZ-OAHLLOKOSA-N 1 2 241.338 2.515 20 30 BFEDLO C#CC[N@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000852548230 588688983 /nfs/dbraw/zinc/68/89/83/588688983.db2.gz RKABEHOYMSJERJ-CQSZACIVSA-N 1 2 247.313 2.611 20 30 BFEDLO C#CC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000852548230 588688984 /nfs/dbraw/zinc/68/89/84/588688984.db2.gz RKABEHOYMSJERJ-CQSZACIVSA-N 1 2 247.313 2.611 20 30 BFEDLO C=C(Cl)C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000852637083 588693563 /nfs/dbraw/zinc/69/35/63/588693563.db2.gz RQAMMMIOLGOQMY-LLVKDONJSA-N 1 2 229.751 2.772 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000852637083 588693564 /nfs/dbraw/zinc/69/35/64/588693564.db2.gz RQAMMMIOLGOQMY-LLVKDONJSA-N 1 2 229.751 2.772 20 30 BFEDLO C[C@]1(C#N)CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000852687214 588696194 /nfs/dbraw/zinc/69/61/94/588696194.db2.gz QUYYULJXRZVLQC-NXEZZACHSA-N 1 2 247.169 2.806 20 30 BFEDLO C[C@]1(C#N)CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000852687214 588696195 /nfs/dbraw/zinc/69/61/95/588696195.db2.gz QUYYULJXRZVLQC-NXEZZACHSA-N 1 2 247.169 2.806 20 30 BFEDLO CC[C@H]1CCCC[C@@H]1C[N@@H+](CC#N)CCOC ZINC000862388811 589207279 /nfs/dbraw/zinc/20/72/79/589207279.db2.gz KMAZKMKBOJWLGE-UONOGXRCSA-N 1 2 238.375 2.675 20 30 BFEDLO CC[C@H]1CCCC[C@@H]1C[N@H+](CC#N)CCOC ZINC000862388811 589207280 /nfs/dbraw/zinc/20/72/80/589207280.db2.gz KMAZKMKBOJWLGE-UONOGXRCSA-N 1 2 238.375 2.675 20 30 BFEDLO C[C@H]1C[C@@H]1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000863455012 589288688 /nfs/dbraw/zinc/28/86/88/589288688.db2.gz SMWGERCZWYMCNI-WCBMZHEXSA-N 1 2 238.718 2.633 20 30 BFEDLO C=CC(C)(C)CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000864345207 589354272 /nfs/dbraw/zinc/35/42/72/589354272.db2.gz QXQAPFSCANRJEU-OQLLNIDSSA-N 1 2 249.310 2.825 20 30 BFEDLO CC(C)Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc[nH+]1 ZINC000865889053 589467579 /nfs/dbraw/zinc/46/75/79/589467579.db2.gz CKXILTJOCQSDMK-NWDGAFQWSA-N 1 2 244.342 2.779 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1ccc([C@H](C)O)c[nH+]1 ZINC000865952549 589470046 /nfs/dbraw/zinc/47/00/46/589470046.db2.gz MVPATOGFPWENMT-FPMFFAJLSA-N 1 2 244.338 2.822 20 30 BFEDLO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc(C#N)c1O ZINC000866359327 589487932 /nfs/dbraw/zinc/48/79/32/589487932.db2.gz SFYCLTRYLFCLAH-NRUUGDAUSA-N 1 2 230.311 2.713 20 30 BFEDLO CC/C=C\C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866364305 589488315 /nfs/dbraw/zinc/48/83/15/589488315.db2.gz QVMNXUBNJZSACQ-WYGGZMRJSA-N 1 2 230.311 2.881 20 30 BFEDLO C=C(C)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866367698 589488358 /nfs/dbraw/zinc/48/83/58/589488358.db2.gz NEWSVUIQIOBFOA-LLVKDONJSA-N 1 2 230.311 2.881 20 30 BFEDLO C[C@@H]([NH2+]CC(C)(C)F)c1cccc(C#N)c1O ZINC000866410146 589491244 /nfs/dbraw/zinc/49/12/44/589491244.db2.gz XHYLMXLQASSJOP-SECBINFHSA-N 1 2 236.290 2.663 20 30 BFEDLO CC1(C)CO[C@@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000871597597 589771841 /nfs/dbraw/zinc/77/18/41/589771841.db2.gz SLMAIXHFBIHOES-AZZDOICSSA-N 1 2 233.311 2.626 20 30 BFEDLO CC(C)(C)c1cn(C[C@H](C#N)CCC#N)c[nH+]1 ZINC000871988702 589853746 /nfs/dbraw/zinc/85/37/46/589853746.db2.gz DVZWMJSBNQKBMO-NSHDSACASA-N 1 2 230.315 2.624 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1cncs1 ZINC000123940503 589865451 /nfs/dbraw/zinc/86/54/51/589865451.db2.gz PMSZMXPYUCIDDI-UHFFFAOYSA-N 1 2 223.345 2.515 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1cncs1 ZINC000123940503 589865448 /nfs/dbraw/zinc/86/54/48/589865448.db2.gz PMSZMXPYUCIDDI-UHFFFAOYSA-N 1 2 223.345 2.515 20 30 BFEDLO C#C[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000872781003 589969854 /nfs/dbraw/zinc/96/98/54/589969854.db2.gz UURVZGNXTXTDSF-HAQNSBGRSA-N 1 2 200.285 2.686 20 30 BFEDLO C=C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876694046 590231171 /nfs/dbraw/zinc/23/11/71/590231171.db2.gz CWHZMFXTICRTBI-UHFFFAOYSA-N 1 2 247.729 2.759 20 30 BFEDLO N#CC1(C[NH2+]Cc2nc(Cl)cs2)CCC1 ZINC000877593529 590368889 /nfs/dbraw/zinc/36/88/89/590368889.db2.gz CIMCOHVEVVLMLM-UHFFFAOYSA-N 1 2 241.747 2.580 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1scnc1Cl ZINC000878514291 590584796 /nfs/dbraw/zinc/58/47/96/590584796.db2.gz RLCFIDBXZRPCEN-UHFFFAOYSA-N 1 2 228.748 2.640 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1scnc1Cl ZINC000878514291 590584797 /nfs/dbraw/zinc/58/47/97/590584797.db2.gz RLCFIDBXZRPCEN-UHFFFAOYSA-N 1 2 228.748 2.640 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC000127622996 590726074 /nfs/dbraw/zinc/72/60/74/590726074.db2.gz FGVRKFQRPBTTKN-UHFFFAOYSA-N 1 2 238.718 2.781 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC000127622996 590726078 /nfs/dbraw/zinc/72/60/78/590726078.db2.gz FGVRKFQRPBTTKN-UHFFFAOYSA-N 1 2 238.718 2.781 20 30 BFEDLO Cc1ccc(C[C@]2(C)CCC[N@@H+]2CC#N)cc1 ZINC000879386505 590759826 /nfs/dbraw/zinc/75/98/26/590759826.db2.gz LEQBXFALOMKFTD-HNNXBMFYSA-N 1 2 228.339 2.916 20 30 BFEDLO Cc1ccc(C[C@]2(C)CCC[N@H+]2CC#N)cc1 ZINC000879386505 590759828 /nfs/dbraw/zinc/75/98/28/590759828.db2.gz LEQBXFALOMKFTD-HNNXBMFYSA-N 1 2 228.339 2.916 20 30 BFEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879634506 590840174 /nfs/dbraw/zinc/84/01/74/590840174.db2.gz YAPLROAKJIOSOC-HNNXBMFYSA-N 1 2 247.338 2.645 20 30 BFEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879634506 590840175 /nfs/dbraw/zinc/84/01/75/590840175.db2.gz YAPLROAKJIOSOC-HNNXBMFYSA-N 1 2 247.338 2.645 20 30 BFEDLO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)o1 ZINC000129179718 591266893 /nfs/dbraw/zinc/26/68/93/591266893.db2.gz UEWFEMWPSNECNM-JTQLQIEISA-N 1 2 206.289 2.788 20 30 BFEDLO C=CC(C)(C)CCCNc1cc(CO)cc[nH+]1 ZINC000882715221 591419176 /nfs/dbraw/zinc/41/91/76/591419176.db2.gz RGQNQYIXEIFYIU-UHFFFAOYSA-N 1 2 234.343 2.978 20 30 BFEDLO C=C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000134929076 591962231 /nfs/dbraw/zinc/96/22/31/591962231.db2.gz OBRXCJAGCKXPKF-JGVFFNPUSA-N 1 2 227.254 2.896 20 30 BFEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cccc(Cl)c1 ZINC000137279041 592164072 /nfs/dbraw/zinc/16/40/72/592164072.db2.gz USGMMBCEEKNUHI-SNAWJCMRSA-N 1 2 232.670 2.959 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)c1ncco1)c1ccc(C#N)cc1 ZINC000886532014 592249445 /nfs/dbraw/zinc/24/94/45/592249445.db2.gz BTPGRHSNXZFBBB-MNOVXSKESA-N 1 2 241.294 2.958 20 30 BFEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ncco1 ZINC000886532013 592249489 /nfs/dbraw/zinc/24/94/89/592249489.db2.gz BTPGRHSNXZFBBB-GHMZBOCLSA-N 1 2 241.294 2.958 20 30 BFEDLO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H](C)C#N ZINC000887313984 592480123 /nfs/dbraw/zinc/48/01/23/592480123.db2.gz PFTRGXHWBTXVST-JSGCOSHPSA-N 1 2 216.328 2.755 20 30 BFEDLO CSCC[C@H](C)[NH2+][C@](C)(C#N)C(C)C ZINC001258201966 991081680 /nfs/dbraw/zinc/08/16/80/991081680.db2.gz GMNCMFOPWBDMMS-WDEREUQCSA-N 1 2 214.378 2.656 20 30 BFEDLO CSC(C)(C)C[C@@H](C)[N@@H+]1CCC[C@H]1C#N ZINC001258331241 991257951 /nfs/dbraw/zinc/25/79/51/991257951.db2.gz LQBAUTZAIPTUME-MNOVXSKESA-N 1 2 226.389 2.895 20 30 BFEDLO CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@H]1C#N ZINC001258331241 991257960 /nfs/dbraw/zinc/25/79/60/991257960.db2.gz LQBAUTZAIPTUME-MNOVXSKESA-N 1 2 226.389 2.895 20 30 BFEDLO C[N@H+](Cc1cncs1)Cc1cc(C#N)cs1 ZINC000933769993 631506183 /nfs/dbraw/zinc/50/61/83/631506183.db2.gz FDQVQSIYMZAYJZ-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO C[N@@H+](Cc1cncs1)Cc1cc(C#N)cs1 ZINC000933769993 631506188 /nfs/dbraw/zinc/50/61/88/631506188.db2.gz FDQVQSIYMZAYJZ-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO Cc1cccnc1[C@H]([NH2+]CCC#N)C(C)(C)C ZINC000934293131 631761223 /nfs/dbraw/zinc/76/12/23/631761223.db2.gz KUPKGOLTNKPCQW-ZDUSSCGKSA-N 1 2 231.343 2.981 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000934509693 631890128 /nfs/dbraw/zinc/89/01/28/631890128.db2.gz PUOHWDREHIJYEZ-GFCCVEGCSA-N 1 2 239.322 2.551 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000934509693 631890131 /nfs/dbraw/zinc/89/01/31/631890131.db2.gz PUOHWDREHIJYEZ-GFCCVEGCSA-N 1 2 239.322 2.551 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cncc(Cl)c1 ZINC000934514764 631896257 /nfs/dbraw/zinc/89/62/57/631896257.db2.gz BQAZVGBJAGAYTA-CYBMUJFWSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cncc(Cl)c1 ZINC000934514764 631896263 /nfs/dbraw/zinc/89/62/63/631896263.db2.gz BQAZVGBJAGAYTA-CYBMUJFWSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@H]1CCCC[N@H+]1Cc1cncc(Cl)c1 ZINC000934514766 631898113 /nfs/dbraw/zinc/89/81/13/631898113.db2.gz BQAZVGBJAGAYTA-ZDUSSCGKSA-N 1 2 234.730 2.723 20 30 BFEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cncc(Cl)c1 ZINC000934514766 631898116 /nfs/dbraw/zinc/89/81/16/631898116.db2.gz BQAZVGBJAGAYTA-ZDUSSCGKSA-N 1 2 234.730 2.723 20 30 BFEDLO NC(=[NH+]OCc1ccc(F)cc1)c1ccccc1 ZINC000047823479 635776181 /nfs/dbraw/zinc/77/61/81/635776181.db2.gz HXHWKTHHBGXVSR-UHFFFAOYSA-N 1 2 244.269 2.663 20 30 BFEDLO C=C[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187589346 632514127 /nfs/dbraw/zinc/51/41/27/632514127.db2.gz BGFZHBPQDMJGSR-LLVKDONJSA-N 1 2 242.278 2.604 20 30 BFEDLO CCCCCCCn1ncc2c1nc[nH+]c2NC ZINC000194431643 634315637 /nfs/dbraw/zinc/31/56/37/634315637.db2.gz FCGRDTZVNZOUMW-UHFFFAOYSA-N 1 2 247.346 2.838 20 30 BFEDLO C=CCCCCCO[NH+]=C(N)Cc1cccnc1 ZINC000195393496 634361143 /nfs/dbraw/zinc/36/11/43/634361143.db2.gz XCVFBXHBYWEASF-UHFFFAOYSA-N 1 2 247.342 2.659 20 30 BFEDLO CCc1cccc(Cl)c1C[NH2+]CCC#N ZINC000336748448 635259300 /nfs/dbraw/zinc/25/93/00/635259300.db2.gz CSUCQMLLOCFBFR-UHFFFAOYSA-N 1 2 222.719 2.906 20 30 BFEDLO C=CCC[N@H+](C)Cc1nc(C(C)C)ns1 ZINC000930252632 639660455 /nfs/dbraw/zinc/66/04/55/639660455.db2.gz AGGPSMVGGICMKL-UHFFFAOYSA-N 1 2 225.361 2.669 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000930245570 639655470 /nfs/dbraw/zinc/65/54/70/639655470.db2.gz WCSVASSNYUJOGL-UHFFFAOYSA-N 1 2 222.332 2.980 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1coc(C(C)(C)C)n1 ZINC000930245570 639655477 /nfs/dbraw/zinc/65/54/77/639655477.db2.gz WCSVASSNYUJOGL-UHFFFAOYSA-N 1 2 222.332 2.980 20 30 BFEDLO C=CCC[N@@H+](C)Cc1nc(C(C)C)ns1 ZINC000930252632 639660449 /nfs/dbraw/zinc/66/04/49/639660449.db2.gz AGGPSMVGGICMKL-UHFFFAOYSA-N 1 2 225.361 2.669 20 30 BFEDLO C[C@@H](c1ccc(F)nc1)[N@H+](C)CC(C)(C)C#N ZINC000930567272 639811943 /nfs/dbraw/zinc/81/19/43/639811943.db2.gz HELHRDIPKDCZPM-JTQLQIEISA-N 1 2 235.306 2.763 20 30 BFEDLO C[C@@H](c1ccc(F)nc1)[N@@H+](C)CC(C)(C)C#N ZINC000930567272 639811944 /nfs/dbraw/zinc/81/19/44/639811944.db2.gz HELHRDIPKDCZPM-JTQLQIEISA-N 1 2 235.306 2.763 20 30 BFEDLO C=C(Cl)C[NH+]1CCC(c2ncco2)CC1 ZINC000931442305 640205818 /nfs/dbraw/zinc/20/58/18/640205818.db2.gz BUPNSLRPJMCGTD-UHFFFAOYSA-N 1 2 226.707 2.607 20 30 BFEDLO C=CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC000931925103 640392604 /nfs/dbraw/zinc/39/26/04/640392604.db2.gz LRIGLLHHMRZOMV-UHFFFAOYSA-N 1 2 243.310 2.600 20 30 BFEDLO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC#N ZINC000932279054 640470111 /nfs/dbraw/zinc/47/01/11/640470111.db2.gz UJSIOVDQWWOCSG-JSGCOSHPSA-N 1 2 214.312 2.778 20 30 BFEDLO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC#N ZINC000932279054 640470130 /nfs/dbraw/zinc/47/01/30/640470130.db2.gz UJSIOVDQWWOCSG-JSGCOSHPSA-N 1 2 214.312 2.778 20 30 BFEDLO C#CC[N@H+](Cc1nnc(C(C)(C)C)o1)C(C)(C)C ZINC000932463096 640532059 /nfs/dbraw/zinc/53/20/59/640532059.db2.gz AEQKXDOTNXQVSD-UHFFFAOYSA-N 1 2 249.358 2.601 20 30 BFEDLO C#CC[N@@H+](Cc1nnc(C(C)(C)C)o1)C(C)(C)C ZINC000932463096 640532066 /nfs/dbraw/zinc/53/20/66/640532066.db2.gz AEQKXDOTNXQVSD-UHFFFAOYSA-N 1 2 249.358 2.601 20 30 BFEDLO C#CC[N@H+](Cc1cccnc1Cl)C(C)(C)C ZINC000932462210 640534555 /nfs/dbraw/zinc/53/45/55/640534555.db2.gz RGTWQVCKSFKMJZ-UHFFFAOYSA-N 1 2 236.746 2.969 20 30 BFEDLO C#CC[N@@H+](Cc1cccnc1Cl)C(C)(C)C ZINC000932462210 640534561 /nfs/dbraw/zinc/53/45/61/640534561.db2.gz RGTWQVCKSFKMJZ-UHFFFAOYSA-N 1 2 236.746 2.969 20 30 BFEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000934471310 641164399 /nfs/dbraw/zinc/16/43/99/641164399.db2.gz LCZCTSBQBCCDAK-SNVBAGLBSA-N 1 2 235.331 2.518 20 30 BFEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000934471310 641164407 /nfs/dbraw/zinc/16/44/07/641164407.db2.gz LCZCTSBQBCCDAK-SNVBAGLBSA-N 1 2 235.331 2.518 20 30 BFEDLO C=CCCC[N@@H+](CC)Cc1noc(CCC)n1 ZINC000934649182 641234298 /nfs/dbraw/zinc/23/42/98/641234298.db2.gz MVHAPWOEYZRGDF-UHFFFAOYSA-N 1 2 237.347 2.810 20 30 BFEDLO C=CCCC[N@H+](CC)Cc1noc(CCC)n1 ZINC000934649182 641234304 /nfs/dbraw/zinc/23/43/04/641234304.db2.gz MVHAPWOEYZRGDF-UHFFFAOYSA-N 1 2 237.347 2.810 20 30 BFEDLO COc1cccc(C[N@H+](C)C[C@H](C)C#N)c1C ZINC000929471791 641327918 /nfs/dbraw/zinc/32/79/18/641327918.db2.gz KFDUWPYEFZDCNU-LLVKDONJSA-N 1 2 232.327 2.595 20 30 BFEDLO COc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1C ZINC000929471791 641327920 /nfs/dbraw/zinc/32/79/20/641327920.db2.gz KFDUWPYEFZDCNU-LLVKDONJSA-N 1 2 232.327 2.595 20 30 BFEDLO CCC#C[C@@H](C)[N@@H+]1CCC=C(Br)C1 ZINC000307583677 711507244 /nfs/dbraw/zinc/50/72/44/711507244.db2.gz ZLWGHBSUVPSGNR-SNVBAGLBSA-N 1 2 242.160 2.773 20 30 BFEDLO CCC#C[C@@H](C)[N@H+]1CCC=C(Br)C1 ZINC000307583677 711507245 /nfs/dbraw/zinc/50/72/45/711507245.db2.gz ZLWGHBSUVPSGNR-SNVBAGLBSA-N 1 2 242.160 2.773 20 30 BFEDLO Oc1cccc(/C=[NH+]/CC2CCCC2)c1O ZINC000914702075 641754416 /nfs/dbraw/zinc/75/44/16/641754416.db2.gz WFFOHPIEOFPBAB-NTEUORMPSA-N 1 2 219.284 2.707 20 30 BFEDLO C#CC[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000075837042 641774356 /nfs/dbraw/zinc/77/43/56/641774356.db2.gz TZYKGKMEKIGHRQ-ZBFHGGJFSA-N 1 2 243.350 2.698 20 30 BFEDLO C#CC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000075837042 641774362 /nfs/dbraw/zinc/77/43/62/641774362.db2.gz TZYKGKMEKIGHRQ-ZBFHGGJFSA-N 1 2 243.350 2.698 20 30 BFEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(F)cc1F ZINC000920244372 642463365 /nfs/dbraw/zinc/46/33/65/642463365.db2.gz QTYMVGQCTIXMTK-ONEGZZNKSA-N 1 2 234.205 2.584 20 30 BFEDLO C=C(C)COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000175472472 642686282 /nfs/dbraw/zinc/68/62/82/642686282.db2.gz AEPHUMFNWFBSII-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO C=C(C)COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000175472472 642686291 /nfs/dbraw/zinc/68/62/91/642686291.db2.gz AEPHUMFNWFBSII-AWEZNQCLSA-N 1 2 247.338 2.799 20 30 BFEDLO CCCCCCCO[NH+]=C(N)Cc1cccnc1 ZINC000179928082 642756951 /nfs/dbraw/zinc/75/69/51/642756951.db2.gz GIQQJMRVWACZHW-UHFFFAOYSA-N 1 2 249.358 2.883 20 30 BFEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000817282300 644969349 /nfs/dbraw/zinc/96/93/49/644969349.db2.gz YRPIISJLJVTAPM-PHIMTYICSA-N 1 2 217.740 2.628 20 30 BFEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000817282300 644969354 /nfs/dbraw/zinc/96/93/54/644969354.db2.gz YRPIISJLJVTAPM-PHIMTYICSA-N 1 2 217.740 2.628 20 30 BFEDLO CCc1onc(C)c1C[N@H+](CCC#N)CC(C)C ZINC000929688766 646242034 /nfs/dbraw/zinc/24/20/34/646242034.db2.gz VYFLRPFLMOXXSJ-UHFFFAOYSA-N 1 2 249.358 2.917 20 30 BFEDLO CCc1onc(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000929688766 646242043 /nfs/dbraw/zinc/24/20/43/646242043.db2.gz VYFLRPFLMOXXSJ-UHFFFAOYSA-N 1 2 249.358 2.917 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cccc(OC)c1C ZINC000929774400 646302763 /nfs/dbraw/zinc/30/27/63/646302763.db2.gz NKOIXVPVABIYDG-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cccc(OC)c1C ZINC000929774400 646302768 /nfs/dbraw/zinc/30/27/68/646302768.db2.gz NKOIXVPVABIYDG-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO CCCc1ccc2[nH+]ccc(NCCC#N)c2c1 ZINC000450480089 711574202 /nfs/dbraw/zinc/57/42/02/711574202.db2.gz AEQATECXNRDELY-UHFFFAOYSA-N 1 2 239.322 2.935 20 30 BFEDLO Cc1cccc2c(NCCC#N)c(C)c[nH+]c12 ZINC000362686185 712017089 /nfs/dbraw/zinc/01/70/89/712017089.db2.gz UUZARFHOXKKGAB-UHFFFAOYSA-N 1 2 225.295 2.599 20 30 BFEDLO Cc1conc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000708315060 712186203 /nfs/dbraw/zinc/18/62/03/712186203.db2.gz LTCPWAQOVYYNPX-NSHDSACASA-N 1 2 241.294 2.706 20 30 BFEDLO C=CC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708392022 712191906 /nfs/dbraw/zinc/19/19/06/712191906.db2.gz YZIYUAQKYQBVQF-QMMMGPOBSA-N 1 2 227.254 2.725 20 30 BFEDLO C[N@H+](C[C@@H]1CC1(Cl)Cl)[C@H]1CCC[C@@H]1C#N ZINC000879307951 712633013 /nfs/dbraw/zinc/63/30/13/712633013.db2.gz GMHAKAQCDRNIED-UTLUCORTSA-N 1 2 247.169 2.804 20 30 BFEDLO C[N@@H+](C[C@@H]1CC1(Cl)Cl)[C@H]1CCC[C@@H]1C#N ZINC000879307951 712633014 /nfs/dbraw/zinc/63/30/14/712633014.db2.gz GMHAKAQCDRNIED-UTLUCORTSA-N 1 2 247.169 2.804 20 30 BFEDLO C=CCCCC[N@H+](C)Cc1cc(C)[nH]n1 ZINC001203082753 960769670 /nfs/dbraw/zinc/76/96/70/960769670.db2.gz XVYBAJADCFZAKL-UHFFFAOYSA-N 1 2 207.321 2.506 20 30 BFEDLO C=CCCCNc1cc(C)[nH+]c(SC)n1 ZINC001159257721 964030834 /nfs/dbraw/zinc/03/08/34/964030834.db2.gz JIWFPEXSJQOFGE-UHFFFAOYSA-N 1 2 223.345 2.885 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1cccnc1C ZINC001207151170 968662326 /nfs/dbraw/zinc/66/23/26/968662326.db2.gz QDLCNGGTDLSNEJ-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO CCCC[C@H](CC(C)C)[N@@H+]1CCO[C@H](C#N)C1 ZINC001173260708 975107166 /nfs/dbraw/zinc/10/71/66/975107166.db2.gz TVBCMQCIRNVPDY-ZIAGYGMSSA-N 1 2 238.375 2.816 20 30 BFEDLO CCCC[C@H](CC(C)C)[N@H+]1CCO[C@H](C#N)C1 ZINC001173260708 975107173 /nfs/dbraw/zinc/10/71/73/975107173.db2.gz TVBCMQCIRNVPDY-ZIAGYGMSSA-N 1 2 238.375 2.816 20 30 BFEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1cncs1 ZINC001232846297 978312407 /nfs/dbraw/zinc/31/24/07/978312407.db2.gz FNYNRCMNEPGGSJ-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1cncs1 ZINC001232846297 978312417 /nfs/dbraw/zinc/31/24/17/978312417.db2.gz FNYNRCMNEPGGSJ-UHFFFAOYSA-N 1 2 249.364 2.708 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cccc(CC)n1 ZINC001235257047 979011938 /nfs/dbraw/zinc/01/19/38/979011938.db2.gz IMSCTYCQBWZZHJ-UHFFFAOYSA-N 1 2 231.343 2.770 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cccc(CC)n1 ZINC001235257047 979011943 /nfs/dbraw/zinc/01/19/43/979011943.db2.gz IMSCTYCQBWZZHJ-UHFFFAOYSA-N 1 2 231.343 2.770 20 30 BFEDLO C[C@H]1CCC(F)(F)C[N@@H+]1CCCSCC#N ZINC001198641878 982813561 /nfs/dbraw/zinc/81/35/61/982813561.db2.gz UOANHAXDDXAREP-JTQLQIEISA-N 1 2 248.342 2.753 20 30 BFEDLO C[C@H]1CCC(F)(F)C[N@H+]1CCCSCC#N ZINC001198641878 982813564 /nfs/dbraw/zinc/81/35/64/982813564.db2.gz UOANHAXDDXAREP-JTQLQIEISA-N 1 2 248.342 2.753 20 30 BFEDLO CC(C)OCC[C@H](C)[NH2+][C@](C)(C#N)C(C)C ZINC001172438733 974794446 /nfs/dbraw/zinc/79/44/46/974794446.db2.gz VOHQFHAOYSIECK-QWHCGFSZSA-N 1 2 226.364 2.718 20 30 BFEDLO CCCC[N@H+](CC#N)[C@@H](C)CCOC(C)C ZINC001172456451 974819164 /nfs/dbraw/zinc/81/91/64/974819164.db2.gz NQINQUIASHNJTL-ZDUSSCGKSA-N 1 2 226.364 2.816 20 30 BFEDLO CCCC[N@@H+](CC#N)[C@@H](C)CCOC(C)C ZINC001172456451 974819170 /nfs/dbraw/zinc/81/91/70/974819170.db2.gz NQINQUIASHNJTL-ZDUSSCGKSA-N 1 2 226.364 2.816 20 30 BFEDLO C=CC[C@@H](CCC)OCc1c[nH+]cn1C ZINC001222595007 972591811 /nfs/dbraw/zinc/59/18/11/972591811.db2.gz LOHYXYGYTMJCQW-LBPRGKRZSA-N 1 2 208.305 2.682 20 30 BFEDLO CCOC1CCC([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001256444532 970843690 /nfs/dbraw/zinc/84/36/90/970843690.db2.gz SXPBZZGKLCGYBS-ROKHWSDSSA-N 1 2 236.359 2.712 20 30 BFEDLO CCOC1CCC([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001256444532 970843692 /nfs/dbraw/zinc/84/36/92/970843692.db2.gz SXPBZZGKLCGYBS-ROKHWSDSSA-N 1 2 236.359 2.712 20 30 BFEDLO Cc1c(C#N)cccc1N(C)c1[nH+]cccc1N ZINC001216173131 970958443 /nfs/dbraw/zinc/95/84/43/970958443.db2.gz ANFMRKTTWPSJNG-UHFFFAOYSA-N 1 2 238.294 2.612 20 30 BFEDLO N#Cc1cc2ccccc2nc1C1=C[NH2+]CCC1 ZINC001243948245 971028234 /nfs/dbraw/zinc/02/82/34/971028234.db2.gz WSZDJXFOTVLNPK-UHFFFAOYSA-N 1 2 235.290 2.831 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CCC(C#N)CC1 ZINC001256964124 971036615 /nfs/dbraw/zinc/03/66/15/971036615.db2.gz VOKVIFFMOJPFIQ-JXQTWKCFSA-N 1 2 233.359 2.987 20 30 BFEDLO C[C@@H]1C[C@@H]([NH2+]C2(C#N)CCCCC2)C[C@H](C)O1 ZINC001257077273 971087687 /nfs/dbraw/zinc/08/76/87/971087687.db2.gz MFGYHHSBMOQYSH-CLLJXQQHSA-N 1 2 236.359 2.758 20 30 BFEDLO CC(C)C[C@](C)(C#N)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257085113 971097576 /nfs/dbraw/zinc/09/75/76/971097576.db2.gz IPJQSVBPYWFNNX-SGMGOOAPSA-N 1 2 238.375 2.860 20 30 BFEDLO N#Cc1cccc(C[N@H+]2CCC=C(Cl)C2)c1 ZINC000404454041 971167545 /nfs/dbraw/zinc/16/75/45/971167545.db2.gz DWKUHGCNGCEOIA-UHFFFAOYSA-N 1 2 232.714 2.887 20 30 BFEDLO N#Cc1cccc(C[N@@H+]2CCC=C(Cl)C2)c1 ZINC000404454041 971167546 /nfs/dbraw/zinc/16/75/46/971167546.db2.gz DWKUHGCNGCEOIA-UHFFFAOYSA-N 1 2 232.714 2.887 20 30 BFEDLO Cc1cc2[nH]ccc2c(-c2ccncc2C#N)[nH+]1 ZINC001244331496 971186698 /nfs/dbraw/zinc/18/66/98/971186698.db2.gz MHQZBPVLUIXHPL-UHFFFAOYSA-N 1 2 234.262 2.805 20 30 BFEDLO CCCCCCCO[C@H]1C[NH2+]CC(F)(F)C1 ZINC001217854861 971444778 /nfs/dbraw/zinc/44/47/78/971444778.db2.gz JHWYYNMLPIYARW-LLVKDONJSA-N 1 2 235.318 2.971 20 30 BFEDLO C=CCCCCCO[C@H]1C[NH2+]CC(F)(F)C1 ZINC001217857602 971448944 /nfs/dbraw/zinc/44/89/44/971448944.db2.gz XWJYNDQBWGINGQ-LLVKDONJSA-N 1 2 233.302 2.747 20 30 BFEDLO C=C1C[C@@H]2CC([N@H+](C)CC#N)C[C@H](C1)C2 ZINC001257894968 971528014 /nfs/dbraw/zinc/52/80/14/971528014.db2.gz FYFSAROEIPRJBO-FUNVUKJBSA-N 1 2 204.317 2.577 20 30 BFEDLO C=C1C[C@@H]2CC([N@@H+](C)CC#N)C[C@H](C1)C2 ZINC001257894968 971528020 /nfs/dbraw/zinc/52/80/20/971528020.db2.gz FYFSAROEIPRJBO-FUNVUKJBSA-N 1 2 204.317 2.577 20 30 BFEDLO CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001258049312 971570825 /nfs/dbraw/zinc/57/08/25/971570825.db2.gz DVRAQPOYLWJEGS-AVGNSLFASA-N 1 2 239.359 2.735 20 30 BFEDLO CCCCCCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001258049312 971570835 /nfs/dbraw/zinc/57/08/35/971570835.db2.gz DVRAQPOYLWJEGS-AVGNSLFASA-N 1 2 239.359 2.735 20 30 BFEDLO C/C(=C\C=C\[NH3+])c1cccc(C#N)c1F ZINC001245068358 971616766 /nfs/dbraw/zinc/61/67/66/971616766.db2.gz HLZWXUWLYOTURZ-DDEWIXKASA-N 1 2 202.232 2.573 20 30 BFEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720557 971650766 /nfs/dbraw/zinc/65/07/66/971650766.db2.gz MTIXNXRSTLBILJ-FMSGJZPZSA-N 1 2 220.360 2.949 20 30 BFEDLO C=C[C@H](C#CC(C)(C)C)Oc1ccc[nH+]c1N ZINC001218413635 971786158 /nfs/dbraw/zinc/78/61/58/971786158.db2.gz MMPLNJUMQAVKKH-LLVKDONJSA-N 1 2 230.311 2.647 20 30 BFEDLO N#CC1([NH2+][C@H]2CCCOCC2)CCCCCC1 ZINC001170774747 971792595 /nfs/dbraw/zinc/79/25/95/971792595.db2.gz BZVQNONHKWMWEQ-ZDUSSCGKSA-N 1 2 236.359 2.762 20 30 BFEDLO C=C(C)CN(CC)c1ccc(Cl)c(N)[nH+]1 ZINC001167051101 956917558 /nfs/dbraw/zinc/91/75/58/956917558.db2.gz YCKGVUKSCJNBMJ-UHFFFAOYSA-N 1 2 225.723 2.720 20 30 BFEDLO C=C(C)CN(CC)c1[nH+]cc(C)cc1OC ZINC001167051044 956919484 /nfs/dbraw/zinc/91/94/84/956919484.db2.gz QGZYOUYQFYAABQ-UHFFFAOYSA-N 1 2 220.316 2.801 20 30 BFEDLO N#Cc1ccc(Nc2ccn3cc[nH+]c3c2)c(N)c1 ZINC001213355821 958537877 /nfs/dbraw/zinc/53/78/77/958537877.db2.gz YZXKJJCNIMTZNW-UHFFFAOYSA-N 1 2 249.277 2.532 20 30 BFEDLO C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2C#N)C[C@H](C)O1 ZINC000724858066 959827537 /nfs/dbraw/zinc/82/75/37/959827537.db2.gz HUSLEVDKPQGAEW-XJFOESAGSA-N 1 2 236.359 2.568 20 30 BFEDLO C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2C#N)C[C@H](C)O1 ZINC000724858066 959827543 /nfs/dbraw/zinc/82/75/43/959827543.db2.gz HUSLEVDKPQGAEW-XJFOESAGSA-N 1 2 236.359 2.568 20 30 BFEDLO N#Cc1cc(Nc2cccn3cc[nH+]c23)ccc1N ZINC001213429380 960148028 /nfs/dbraw/zinc/14/80/28/960148028.db2.gz IPNPEDAYPZAANZ-UHFFFAOYSA-N 1 2 249.277 2.532 20 30 BFEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001141167197 960899962 /nfs/dbraw/zinc/89/99/62/960899962.db2.gz FDBTZIJIZPQIJZ-IINYFYTJSA-N 1 2 230.286 2.682 20 30 BFEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001141167197 960899965 /nfs/dbraw/zinc/89/99/65/960899965.db2.gz FDBTZIJIZPQIJZ-IINYFYTJSA-N 1 2 230.286 2.682 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(C)cc(OC)c1 ZINC001143158207 961895127 /nfs/dbraw/zinc/89/51/27/961895127.db2.gz XDXWOBNCBOWUGK-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(C)cc(OC)c1 ZINC001143158207 961895128 /nfs/dbraw/zinc/89/51/28/961895128.db2.gz XDXWOBNCBOWUGK-UHFFFAOYSA-N 1 2 232.327 2.739 20 30 BFEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)cn1 ZINC000710111386 962304208 /nfs/dbraw/zinc/30/42/08/962304208.db2.gz RSCPYKMXMMNHSX-VIFPVBQESA-N 1 2 237.734 2.935 20 30 BFEDLO N#CC1(c2cc[nH+]c(NCC(F)(F)F)c2)CC1 ZINC001161629490 962842904 /nfs/dbraw/zinc/84/29/04/962842904.db2.gz CZELTMGJIVZMEB-UHFFFAOYSA-N 1 2 241.216 2.611 20 30 BFEDLO N#CCc1cc[nH+]c(NCCC2CCC2)c1 ZINC001158051229 963797324 /nfs/dbraw/zinc/79/73/24/963797324.db2.gz FQDQZVXXAPXCOP-UHFFFAOYSA-N 1 2 215.300 2.750 20 30 BFEDLO C=CCCCNc1cc(N(CC)CC)nc[nH+]1 ZINC001159262119 964044619 /nfs/dbraw/zinc/04/46/19/964044619.db2.gz HEIBRGCBTQZITE-UHFFFAOYSA-N 1 2 234.347 2.701 20 30 BFEDLO C=CCCCNc1cc(N(CC)CC)[nH+]cn1 ZINC001159262119 964044622 /nfs/dbraw/zinc/04/46/22/964044622.db2.gz HEIBRGCBTQZITE-UHFFFAOYSA-N 1 2 234.347 2.701 20 30 BFEDLO C=CCCCNc1ccc(Cl)c(N)[nH+]1 ZINC001159263993 964045222 /nfs/dbraw/zinc/04/52/22/964045222.db2.gz KXVLWUUCLIRVNC-UHFFFAOYSA-N 1 2 211.696 2.695 20 30 BFEDLO Cc1c[nH+]c(N[C@@](C)(C#N)CC(C)C)cc1N ZINC001162519643 965019702 /nfs/dbraw/zinc/01/97/02/965019702.db2.gz KILSSNHAFNVRJM-CYBMUJFWSA-N 1 2 232.331 2.713 20 30 BFEDLO C#C[C@H](C)Nc1cc(N(CCC)CCC)nc[nH+]1 ZINC001163160804 965274098 /nfs/dbraw/zinc/27/40/98/965274098.db2.gz DDNVJBLHGREAIL-LBPRGKRZSA-N 1 2 246.358 2.537 20 30 BFEDLO C#C[C@H](C)Nc1cc(N(CCC)CCC)[nH+]cn1 ZINC001163160804 965274114 /nfs/dbraw/zinc/27/41/14/965274114.db2.gz DDNVJBLHGREAIL-LBPRGKRZSA-N 1 2 246.358 2.537 20 30 BFEDLO N#CCCCCNc1ccc(-n2cccc2)c[nH+]1 ZINC001168427544 965457417 /nfs/dbraw/zinc/45/74/17/965457417.db2.gz PBRZKOHJGVBLRY-UHFFFAOYSA-N 1 2 240.310 2.978 20 30 BFEDLO N#CCCCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168429314 965473942 /nfs/dbraw/zinc/47/39/42/965473942.db2.gz PNZGWURMNIKTOX-UHFFFAOYSA-N 1 2 240.310 2.743 20 30 BFEDLO Cc1c(F)cc[nH+]c1N1CCC[C@@H](CC#N)C1 ZINC001166742445 966392033 /nfs/dbraw/zinc/39/20/33/966392033.db2.gz GEWDEDKJQHWEFJ-NSHDSACASA-N 1 2 233.290 2.659 20 30 BFEDLO C#C[C@@H]1CCCN(c2cc(SC)cc[nH+]2)C1 ZINC001167006688 966518495 /nfs/dbraw/zinc/51/84/95/966518495.db2.gz FMFJFRMREACHKQ-LLVKDONJSA-N 1 2 232.352 2.653 20 30 BFEDLO C#Cc1cc(Nc2ccc(NC)[nH+]c2)ccc1F ZINC001203456586 966657475 /nfs/dbraw/zinc/65/74/75/966657475.db2.gz LHXYHBSSAJFDIL-UHFFFAOYSA-N 1 2 241.269 2.987 20 30 BFEDLO CCOc1ccc(Cl)cc1C[NH2+]CCC#N ZINC001204011542 966851484 /nfs/dbraw/zinc/85/14/84/966851484.db2.gz DERKLRWQONTQEX-UHFFFAOYSA-N 1 2 238.718 2.742 20 30 BFEDLO COC1CCC(Nc2[nH+]cccc2CC#N)CC1 ZINC001168602300 966969535 /nfs/dbraw/zinc/96/95/35/966969535.db2.gz JZERCAVMZHFNMR-UHFFFAOYSA-N 1 2 245.326 2.517 20 30 BFEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001204368209 966982821 /nfs/dbraw/zinc/98/28/21/966982821.db2.gz LBZGHUAOLBZYFP-AWEZNQCLSA-N 1 2 232.302 2.882 20 30 BFEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001204368209 966982823 /nfs/dbraw/zinc/98/28/23/966982823.db2.gz LBZGHUAOLBZYFP-AWEZNQCLSA-N 1 2 232.302 2.882 20 30 BFEDLO Cc1c(F)cccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001204512619 967016270 /nfs/dbraw/zinc/01/62/70/967016270.db2.gz KPJGVVNTGXJMDY-GFCCVEGCSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1c(F)cccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001204512619 967016285 /nfs/dbraw/zinc/01/62/85/967016285.db2.gz KPJGVVNTGXJMDY-GFCCVEGCSA-N 1 2 232.302 2.870 20 30 BFEDLO Cc1ccc(Nc2ncccc2C#N)c(C)[nH+]1 ZINC000094666190 967060507 /nfs/dbraw/zinc/06/05/07/967060507.db2.gz AAYGHIBBOVKUFH-UHFFFAOYSA-N 1 2 224.267 2.709 20 30 BFEDLO CN(C)c1ccc(Cc2ccccc2C#N)c[nH+]1 ZINC001250044709 967297476 /nfs/dbraw/zinc/29/74/76/967297476.db2.gz KJKWOSISKUQGDV-UHFFFAOYSA-N 1 2 237.306 2.610 20 30 BFEDLO N#Cc1ccc(Cc2ccc3[nH+]ccn3c2)cc1 ZINC001250052076 967314110 /nfs/dbraw/zinc/31/41/10/967314110.db2.gz PEAXMBJRMPJUHE-UHFFFAOYSA-N 1 2 233.274 2.797 20 30 BFEDLO C=C(C)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001163378893 968032227 /nfs/dbraw/zinc/03/22/27/968032227.db2.gz WNDDGEWLUSGDCO-UHFFFAOYSA-N 1 2 217.316 2.670 20 30 BFEDLO CNc1cc(-c2cccc(C#N)c2)cc[nH+]1 ZINC001250584177 968109013 /nfs/dbraw/zinc/10/90/13/968109013.db2.gz MRIXMAJTUDDJNR-UHFFFAOYSA-N 1 2 209.252 2.662 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1cccnc1C ZINC001207151170 968662322 /nfs/dbraw/zinc/66/23/22/968662322.db2.gz QDLCNGGTDLSNEJ-UHFFFAOYSA-N 1 2 231.343 2.906 20 30 BFEDLO CC1=CC[C@@H](CC[NH+]2CC(C#N)C2)C1(C)C ZINC001207270010 968700866 /nfs/dbraw/zinc/70/08/66/968700866.db2.gz XEEYHLSHKSOWPA-ZDUSSCGKSA-N 1 2 218.344 2.824 20 30 BFEDLO C=C[C@](C)(O)CNc1ccc2ccc[nH+]c2c1 ZINC001252559655 968802656 /nfs/dbraw/zinc/80/26/56/968802656.db2.gz AHQWEIVWRAAZTO-AWEZNQCLSA-N 1 2 228.295 2.584 20 30 BFEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC(OC(C)=O)C2)CC1 ZINC001208177129 969109329 /nfs/dbraw/zinc/10/93/29/969109329.db2.gz NOESFYIKCHMEGI-CQSZACIVSA-N 1 2 249.354 2.536 20 30 BFEDLO CCCC[N@H+](CC#N)CC1C[C@@H](C)O[C@H](C)C1 ZINC001209397429 969468392 /nfs/dbraw/zinc/46/83/92/969468392.db2.gz KGFREJQGXMEGTL-CHWSQXEVSA-N 1 2 238.375 2.816 20 30 BFEDLO CCCC[N@@H+](CC#N)CC1C[C@@H](C)O[C@H](C)C1 ZINC001209397429 969468397 /nfs/dbraw/zinc/46/83/97/969468397.db2.gz KGFREJQGXMEGTL-CHWSQXEVSA-N 1 2 238.375 2.816 20 30 BFEDLO CCc1[nH+]ccc(C)c1Nc1cccnc1C#N ZINC001210145718 969810976 /nfs/dbraw/zinc/81/09/76/969810976.db2.gz SYJQDRMCVACGDC-UHFFFAOYSA-N 1 2 238.294 2.963 20 30 BFEDLO Cn1c[nH+]c2cc(Nc3cccnc3C#N)ccc21 ZINC001210147599 969812955 /nfs/dbraw/zinc/81/29/55/969812955.db2.gz RWPUHGVJXYQTLD-UHFFFAOYSA-N 1 2 249.277 2.584 20 30 BFEDLO Cc1[nH+]cc(Nc2ccc(CC#N)cc2)cc1N ZINC001210287862 969857257 /nfs/dbraw/zinc/85/72/57/969857257.db2.gz DOZHQOWVBHMIEK-UHFFFAOYSA-N 1 2 238.294 2.782 20 30 BFEDLO CC[C@@H](CC#N)[NH2+][C@H](c1ccc(F)cn1)C1CC1 ZINC001255162052 969970565 /nfs/dbraw/zinc/97/05/65/969970565.db2.gz GBQHBDAPQOJTHA-JSGCOSHPSA-N 1 2 247.317 2.954 20 30 BFEDLO Cn1c[nH+]cc1-c1ccc(CS)cc1 ZINC001243069629 970258102 /nfs/dbraw/zinc/25/81/02/970258102.db2.gz IUSGVCLXHTZXGH-UHFFFAOYSA-N 1 2 204.298 2.517 20 30 BFEDLO C[C@@H]1CC[C@H]([NH2+]C2(C#N)CCCCC2)C1 ZINC001170103585 970302489 /nfs/dbraw/zinc/30/24/89/970302489.db2.gz HFGDWCADYBDWOZ-NEPJUHHUSA-N 1 2 206.333 2.991 20 30 BFEDLO C#Cc1cc(Nc2cc(C3CC3)cnc2C)cc[nH+]1 ZINC001213490004 970323742 /nfs/dbraw/zinc/32/37/42/970323742.db2.gz YGIUXPFSMRMCQW-UHFFFAOYSA-N 1 2 249.317 2.809 20 30 BFEDLO Cc1noc(Nc2c[nH+]c(C)cc2C)c1C#N ZINC001213503755 970335428 /nfs/dbraw/zinc/33/54/28/970335428.db2.gz WMWIKIBJDVIOOS-UHFFFAOYSA-N 1 2 228.255 2.610 20 30 BFEDLO Cc1cc(C)c(Nc2cc(F)cnc2C#N)c[nH+]1 ZINC001213510516 970341425 /nfs/dbraw/zinc/34/14/25/970341425.db2.gz DMYKCZIXPHSGCT-UHFFFAOYSA-N 1 2 242.257 2.848 20 30 BFEDLO CC(C)(C#N)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255690947 970456111 /nfs/dbraw/zinc/45/61/11/970456111.db2.gz UXESRUJXPMEFQI-DTWKUNHWSA-N 1 2 234.265 2.999 20 30 BFEDLO CC(C)(C#N)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255690946 970458329 /nfs/dbraw/zinc/45/83/29/970458329.db2.gz UXESRUJXPMEFQI-BDAKNGLRSA-N 1 2 234.265 2.999 20 30 BFEDLO C[C@H](C#N)[N@H+](C)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255724306 970465855 /nfs/dbraw/zinc/46/58/55/970465855.db2.gz RRKVQXUPDXMYGT-UTLUCORTSA-N 1 2 234.265 2.951 20 30 BFEDLO C[C@H](C#N)[N@@H+](C)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255724306 970465856 /nfs/dbraw/zinc/46/58/56/970465856.db2.gz RRKVQXUPDXMYGT-UTLUCORTSA-N 1 2 234.265 2.951 20 30 BFEDLO C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@@H](C#N)C1 ZINC001255851802 970516633 /nfs/dbraw/zinc/51/66/33/970516633.db2.gz WWDDIZMGEDRCAT-NEPJUHHUSA-N 1 2 232.302 2.602 20 30 BFEDLO C[C@H](Cc1ccccc1F)[N@H+]1CC[C@@H](C#N)C1 ZINC001255851802 970516643 /nfs/dbraw/zinc/51/66/43/970516643.db2.gz WWDDIZMGEDRCAT-NEPJUHHUSA-N 1 2 232.302 2.602 20 30 BFEDLO N#Cc1cncc(Nc2cccc3cc[nH+]cc32)n1 ZINC000401209462 970669369 /nfs/dbraw/zinc/66/93/69/970669369.db2.gz MAZOOAAWMNWVQB-UHFFFAOYSA-N 1 2 247.261 2.640 20 30 BFEDLO C=CCCCNc1ccc2c([nH+]1)CCOC2 ZINC001170298538 970676143 /nfs/dbraw/zinc/67/61/43/970676143.db2.gz GYDWBBDQQGJPNJ-UHFFFAOYSA-N 1 2 218.300 2.532 20 30 BFEDLO C#Cc1ccc(C[NH+]2CC(OCCCC)C2)cc1 ZINC001144573442 972878239 /nfs/dbraw/zinc/87/82/39/972878239.db2.gz JZZUMKPBXQKMFK-UHFFFAOYSA-N 1 2 243.350 2.669 20 30 BFEDLO N#CC1([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CCCCCC1 ZINC001172233435 974475584 /nfs/dbraw/zinc/47/55/84/974475584.db2.gz ZBXXXBSVJSWLFP-AGUYFDCRSA-N 1 2 246.354 2.679 20 30 BFEDLO Cc1nnn([NH+]=C[C@@H]2CCCC[C@H]2C)c1C ZINC001330883057 974520980 /nfs/dbraw/zinc/52/09/80/974520980.db2.gz NAHFHWPPHQFDAZ-SKDRFNHKSA-N 1 2 220.320 2.555 20 30 BFEDLO C[C@@H](C#N)[N@H+](C)C1CC(C)(C)OC(C)(C)C1 ZINC001172660191 974897322 /nfs/dbraw/zinc/89/73/22/974897322.db2.gz PWASVKYOSHVSNW-JTQLQIEISA-N 1 2 224.348 2.566 20 30 BFEDLO C[C@@H](C#N)[N@@H+](C)C1CC(C)(C)OC(C)(C)C1 ZINC001172660191 974897325 /nfs/dbraw/zinc/89/73/25/974897325.db2.gz PWASVKYOSHVSNW-JTQLQIEISA-N 1 2 224.348 2.566 20 30 BFEDLO N#C[C@H]1CC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721970 974905242 /nfs/dbraw/zinc/90/52/42/974905242.db2.gz LZOOEMRJLNJDBX-QMTHXVAHSA-N 1 2 246.741 2.653 20 30 BFEDLO N#C[C@H]1CC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721970 974905250 /nfs/dbraw/zinc/90/52/50/974905250.db2.gz LZOOEMRJLNJDBX-QMTHXVAHSA-N 1 2 246.741 2.653 20 30 BFEDLO CO[C@@H]1CCC[C@H]([NH2+][C@@](C)(C#N)CC(C)C)C1 ZINC001172926413 974972077 /nfs/dbraw/zinc/97/20/77/974972077.db2.gz BAFAGEZPDOVJJO-BFHYXJOUSA-N 1 2 238.375 2.862 20 30 BFEDLO CCCC[N@H+](CC#N)[C@H]1CCC[C@H](OC)C1 ZINC001172943136 974997343 /nfs/dbraw/zinc/99/73/43/974997343.db2.gz LSMIXXLBFRWANJ-STQMWFEESA-N 1 2 224.348 2.570 20 30 BFEDLO CCCOC1CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001173095540 975018545 /nfs/dbraw/zinc/01/85/45/975018545.db2.gz MQHJFLOWTYEHAU-MOKVOYLWSA-N 1 2 236.359 2.712 20 30 BFEDLO CCCOC1CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001173095540 975018547 /nfs/dbraw/zinc/01/85/47/975018547.db2.gz MQHJFLOWTYEHAU-MOKVOYLWSA-N 1 2 236.359 2.712 20 30 BFEDLO C#CC[C@@H](CC)Oc1c(C)cc[nH+]c1C ZINC001227264453 975338181 /nfs/dbraw/zinc/33/81/81/975338181.db2.gz METRXFYUOQHIGM-GFCCVEGCSA-N 1 2 203.285 2.879 20 30 BFEDLO C[C@H]1CC[N@H+](Cc2csc(C#N)c2)C[C@@H]1F ZINC001333753857 976065536 /nfs/dbraw/zinc/06/55/36/976065536.db2.gz ZYDRBACEBFCNEZ-CABZTGNLSA-N 1 2 238.331 2.800 20 30 BFEDLO C[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C[C@@H]1F ZINC001333753857 976065547 /nfs/dbraw/zinc/06/55/47/976065547.db2.gz ZYDRBACEBFCNEZ-CABZTGNLSA-N 1 2 238.331 2.800 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1c(Cl)n[nH]c1CC ZINC001333807331 976099763 /nfs/dbraw/zinc/09/97/63/976099763.db2.gz IBIYSNIEWKKURW-UHFFFAOYSA-N 1 2 227.739 2.633 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1c(Cl)n[nH]c1CC ZINC001333807331 976099778 /nfs/dbraw/zinc/09/97/78/976099778.db2.gz IBIYSNIEWKKURW-UHFFFAOYSA-N 1 2 227.739 2.633 20 30 BFEDLO C#Cc1cc(Nc2ccc3ccn(C)c3c2)cc[nH+]1 ZINC001174515376 976837940 /nfs/dbraw/zinc/83/79/40/976837940.db2.gz VPFBWTVSIYQCHL-UHFFFAOYSA-N 1 2 247.301 2.720 20 30 BFEDLO C#Cc1cc(Nc2ccc(C)c(C)c2)cc[nH+]1 ZINC001174632094 976900277 /nfs/dbraw/zinc/90/02/77/976900277.db2.gz RWKNGMJWFWYWBL-UHFFFAOYSA-N 1 2 222.291 2.845 20 30 BFEDLO C#Cc1cc(Nc2ccc3cc[nH]c3c2)cc[nH+]1 ZINC001174746627 977042851 /nfs/dbraw/zinc/04/28/51/977042851.db2.gz IITQKPPLDNGAJS-UHFFFAOYSA-N 1 2 233.274 2.710 20 30 BFEDLO CN(C)c1ccc(Nc2ccc(C#N)s2)c[nH+]1 ZINC001175341378 977362690 /nfs/dbraw/zinc/36/26/90/977362690.db2.gz JCHBPSFPHQODEP-UHFFFAOYSA-N 1 2 244.323 2.824 20 30 BFEDLO C#Cc1cc(Nc2ccc(C)cc2F)cc[nH+]1 ZINC001175321707 977373270 /nfs/dbraw/zinc/37/32/70/977373270.db2.gz XGECDYBZIOOEGE-UHFFFAOYSA-N 1 2 226.254 2.676 20 30 BFEDLO C=C(C)CCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001336326355 977632172 /nfs/dbraw/zinc/63/21/72/977632172.db2.gz PUJICLSFZVVJON-UHFFFAOYSA-N 1 2 243.310 2.938 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ccc(OCC)nc1 ZINC001231654386 977668025 /nfs/dbraw/zinc/66/80/25/977668025.db2.gz MQHUSJWKRVCLFX-UHFFFAOYSA-N 1 2 247.342 2.606 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ccc(OCC)nc1 ZINC001231654386 977668027 /nfs/dbraw/zinc/66/80/27/977668027.db2.gz MQHUSJWKRVCLFX-UHFFFAOYSA-N 1 2 247.342 2.606 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccnc2c(F)cccc12 ZINC001232207711 977932934 /nfs/dbraw/zinc/93/29/34/977932934.db2.gz NHVFFESQMQNAEP-UHFFFAOYSA-N 1 2 243.285 2.719 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccnc2c(F)cccc12 ZINC001232207711 977932945 /nfs/dbraw/zinc/93/29/45/977932945.db2.gz NHVFFESQMQNAEP-UHFFFAOYSA-N 1 2 243.285 2.719 20 30 BFEDLO COc1cc[nH+]cc1Nc1cccc(F)c1C#N ZINC001176121463 977950059 /nfs/dbraw/zinc/95/00/59/977950059.db2.gz VIIUADUSWQCWPO-UHFFFAOYSA-N 1 2 243.241 2.845 20 30 BFEDLO COc1cc[nH+]cc1Nc1cccc(C#N)c1F ZINC001176121539 977953961 /nfs/dbraw/zinc/95/39/61/977953961.db2.gz XFZKBUDCRSXPRE-UHFFFAOYSA-N 1 2 243.241 2.845 20 30 BFEDLO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCC[C@H]1C#N ZINC001336797886 977968562 /nfs/dbraw/zinc/96/85/62/977968562.db2.gz NIPWZOPMXUCNRI-GXFFZTMASA-N 1 2 245.351 2.744 20 30 BFEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCC[C@H]1C#N ZINC001336797886 977968574 /nfs/dbraw/zinc/96/85/74/977968574.db2.gz NIPWZOPMXUCNRI-GXFFZTMASA-N 1 2 245.351 2.744 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC001232252617 977979259 /nfs/dbraw/zinc/97/92/59/977979259.db2.gz VEBBUUNEVVAOCP-LBPRGKRZSA-N 1 2 237.306 2.580 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001232252617 977979275 /nfs/dbraw/zinc/97/92/75/977979275.db2.gz VEBBUUNEVVAOCP-LBPRGKRZSA-N 1 2 237.306 2.580 20 30 BFEDLO C#Cc1cc(Nc2cncc(C3CC3)c2)cc[nH+]1 ZINC001176281411 978008460 /nfs/dbraw/zinc/00/84/60/978008460.db2.gz BPVFBQIZGORQSN-UHFFFAOYSA-N 1 2 235.290 2.501 20 30 BFEDLO C=CCn1cc(Nc2c[nH+]ccc2OCC)cn1 ZINC001176544127 978108488 /nfs/dbraw/zinc/10/84/88/978108488.db2.gz YOYSIYLLVGPPJI-UHFFFAOYSA-N 1 2 244.298 2.606 20 30 BFEDLO C=CCn1cc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001176544106 978108702 /nfs/dbraw/zinc/10/87/02/978108702.db2.gz XWFNHAHLOHQNGI-UHFFFAOYSA-N 1 2 228.299 2.825 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1cc(F)ccc1N ZINC001232511090 978158262 /nfs/dbraw/zinc/15/82/62/978158262.db2.gz SARQGADQRCQXRU-UHFFFAOYSA-N 1 2 249.333 2.924 20 30 BFEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)ccc1N ZINC001232511090 978158268 /nfs/dbraw/zinc/15/82/68/978158268.db2.gz SARQGADQRCQXRU-UHFFFAOYSA-N 1 2 249.333 2.924 20 30 BFEDLO CCCCC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232673203 978230536 /nfs/dbraw/zinc/23/05/36/978230536.db2.gz CIQWUGPJJGRKEJ-UHFFFAOYSA-N 1 2 232.327 2.886 20 30 BFEDLO CCCCC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232673203 978230541 /nfs/dbraw/zinc/23/05/41/978230541.db2.gz CIQWUGPJJGRKEJ-UHFFFAOYSA-N 1 2 232.327 2.886 20 30 BFEDLO CCC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232674395 978238452 /nfs/dbraw/zinc/23/84/52/978238452.db2.gz YSOQBKPXJRGDDB-UHFFFAOYSA-N 1 2 244.338 2.886 20 30 BFEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC23CCCC3)c1 ZINC001232676113 978245599 /nfs/dbraw/zinc/24/55/99/978245599.db2.gz ZISZCQDRUPRCJO-UHFFFAOYSA-N 1 2 242.322 2.782 20 30 BFEDLO N#Cc1ccc(O)c(C[N@H+]2CCC23CCCC3)c1 ZINC001232676113 978245609 /nfs/dbraw/zinc/24/56/09/978245609.db2.gz ZISZCQDRUPRCJO-UHFFFAOYSA-N 1 2 242.322 2.782 20 30 BFEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)C2(CC2)C1 ZINC001232677390 978246200 /nfs/dbraw/zinc/24/62/00/978246200.db2.gz CHBSXBPOQMCBJU-LLVKDONJSA-N 1 2 242.322 2.638 20 30 BFEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C2(CC2)C1 ZINC001232677390 978246215 /nfs/dbraw/zinc/24/62/15/978246215.db2.gz CHBSXBPOQMCBJU-LLVKDONJSA-N 1 2 242.322 2.638 20 30 BFEDLO CC1(C)CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232679651 978246362 /nfs/dbraw/zinc/24/63/62/978246362.db2.gz PQJREADOTPVOGQ-UHFFFAOYSA-N 1 2 244.338 2.886 20 30 BFEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)c(C#N)c1 ZINC001232969505 978367820 /nfs/dbraw/zinc/36/78/20/978367820.db2.gz QXDIINPFHJUQDK-CQSZACIVSA-N 1 2 232.302 2.801 20 30 BFEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2CF)c(C#N)c1 ZINC001232969505 978367831 /nfs/dbraw/zinc/36/78/31/978367831.db2.gz QXDIINPFHJUQDK-CQSZACIVSA-N 1 2 232.302 2.801 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2cc3cccnc3s2)C1 ZINC001233348812 978572363 /nfs/dbraw/zinc/57/23/63/978572363.db2.gz QGAXEIHTNRDPMQ-JTQLQIEISA-N 1 2 243.335 2.642 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233348812 978572366 /nfs/dbraw/zinc/57/23/66/978572366.db2.gz QGAXEIHTNRDPMQ-JTQLQIEISA-N 1 2 243.335 2.642 20 30 BFEDLO CCC[NH+](CCC)Cc1ccc(C#N)cc1O ZINC001233383474 978591559 /nfs/dbraw/zinc/59/15/59/978591559.db2.gz JJLFVQDNDCBMAM-UHFFFAOYSA-N 1 2 232.327 2.886 20 30 BFEDLO C#CC[C@@H](C)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588463 978864525 /nfs/dbraw/zinc/86/45/25/978864525.db2.gz ONLIANCWEIPBOE-LLVKDONJSA-N 1 2 231.295 2.839 20 30 BFEDLO N#Cc1ccccc1Cc1ccn2cc[nH+]c2c1 ZINC001250045784 979496039 /nfs/dbraw/zinc/49/60/39/979496039.db2.gz JBRRCVVCWAMJFC-UHFFFAOYSA-N 1 2 233.274 2.797 20 30 BFEDLO N#Cc1c[nH]c2cc(-c3ccc(N)[nH+]c3)ccc12 ZINC001236313421 979522148 /nfs/dbraw/zinc/52/21/48/979522148.db2.gz OHOMKKHIFHRVGS-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO N#Cc1ccc2cc(-c3ccc(N)[nH+]c3)ccc2n1 ZINC001236316568 979527152 /nfs/dbraw/zinc/52/71/52/979527152.db2.gz NGXDBLGVYLQUOV-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO N#CCc1cc(F)ccc1-c1ccc(N)[nH+]c1 ZINC001236317731 979534213 /nfs/dbraw/zinc/53/42/13/979534213.db2.gz UXRQFHWQTIMMFY-UHFFFAOYSA-N 1 2 227.242 2.536 20 30 BFEDLO Cc1cc(F)cc(C)c1C[N@H+](C)CCC#N ZINC001237316187 979862541 /nfs/dbraw/zinc/86/25/41/979862541.db2.gz OYWJXGCEAQMXDB-UHFFFAOYSA-N 1 2 220.291 2.788 20 30 BFEDLO Cc1cc(F)cc(C)c1C[N@@H+](C)CCC#N ZINC001237316187 979862548 /nfs/dbraw/zinc/86/25/48/979862548.db2.gz OYWJXGCEAQMXDB-UHFFFAOYSA-N 1 2 220.291 2.788 20 30 BFEDLO CCn1c[nH+]cc1CN(CCC#N)C1CCCC1 ZINC001237589293 979948785 /nfs/dbraw/zinc/94/87/85/979948785.db2.gz DKAYYKAEGNNZSP-UHFFFAOYSA-N 1 2 246.358 2.561 20 30 BFEDLO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C#N)C2)c1O ZINC001238069859 980135983 /nfs/dbraw/zinc/13/59/83/980135983.db2.gz KSVKZWACOLBUKR-LLVKDONJSA-N 1 2 248.301 2.575 20 30 BFEDLO Cc1cc(F)cc(C[N@H+]2CCC[C@H](C#N)C2)c1O ZINC001238069859 980135991 /nfs/dbraw/zinc/13/59/91/980135991.db2.gz KSVKZWACOLBUKR-LLVKDONJSA-N 1 2 248.301 2.575 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1ncc(C)cc1C ZINC001238434027 980262509 /nfs/dbraw/zinc/26/25/09/980262509.db2.gz XZEVJVRTTPRRJH-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1ncc(C)cc1C ZINC001238434027 980262517 /nfs/dbraw/zinc/26/25/17/980262517.db2.gz XZEVJVRTTPRRJH-UHFFFAOYSA-N 1 2 231.343 2.824 20 30 BFEDLO COc1cc(C)c(C)cc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001238766787 980322156 /nfs/dbraw/zinc/32/21/56/980322156.db2.gz LLVODVPGPRPRJI-CYBMUJFWSA-N 1 2 244.338 2.658 20 30 BFEDLO COc1cc(C)c(C)cc1C[N@H+]1CC[C@H](C#N)C1 ZINC001238766787 980322175 /nfs/dbraw/zinc/32/21/75/980322175.db2.gz LLVODVPGPRPRJI-CYBMUJFWSA-N 1 2 244.338 2.658 20 30 BFEDLO N#Cc1ccc(-c2ccc3[nH+]ccn3c2)c(C#N)c1 ZINC001240218228 981167627 /nfs/dbraw/zinc/16/76/27/981167627.db2.gz GYEDVBNLBWPXHK-UHFFFAOYSA-N 1 2 244.257 2.745 20 30 BFEDLO N#Cc1cc(C#N)cc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240510565 981436881 /nfs/dbraw/zinc/43/68/81/981436881.db2.gz NYFPEXOOHBSADL-UHFFFAOYSA-N 1 2 244.257 2.745 20 30 BFEDLO C=CCOC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001194319079 981671585 /nfs/dbraw/zinc/67/15/85/981671585.db2.gz XLVIOGOYOJYGSZ-UHFFFAOYSA-N 1 2 243.266 2.607 20 30 BFEDLO C/C(=N\O)c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001241176296 982326726 /nfs/dbraw/zinc/32/67/26/982326726.db2.gz YYJJYOAJWCUIRR-CXUHLZMHSA-N 1 2 227.267 2.529 20 30 BFEDLO C[C@@H]1CCC(F)(F)C[N@@H+]1CCCSCC#N ZINC001198641881 982813378 /nfs/dbraw/zinc/81/33/78/982813378.db2.gz UOANHAXDDXAREP-SNVBAGLBSA-N 1 2 248.342 2.753 20 30 BFEDLO C[C@@H]1CCC(F)(F)C[N@H+]1CCCSCC#N ZINC001198641881 982813379 /nfs/dbraw/zinc/81/33/79/982813379.db2.gz UOANHAXDDXAREP-SNVBAGLBSA-N 1 2 248.342 2.753 20 30 BFEDLO CCc1cc(C#N)ccc1Nc1ccc(N)[nH+]c1 ZINC001201284134 983155642 /nfs/dbraw/zinc/15/56/42/983155642.db2.gz KFYVXXWVDBHZON-UHFFFAOYSA-N 1 2 238.294 2.841 20 30 BFEDLO C=C1CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001354108763 983157984 /nfs/dbraw/zinc/15/79/84/983157984.db2.gz HBRCFSSEGINYNH-UHFFFAOYSA-N 1 2 206.264 2.686 20 30 BFEDLO C#Cc1cc(Nc2ccc(N)[nH+]c2)ccc1F ZINC001201285892 983160149 /nfs/dbraw/zinc/16/01/49/983160149.db2.gz RWJSHRRUPAKRCL-UHFFFAOYSA-N 1 2 227.242 2.528 20 30 BFEDLO N#Cc1c(F)cc(Nc2ccc(N)[nH+]c2)cc1F ZINC001201295227 983180701 /nfs/dbraw/zinc/18/07/01/983180701.db2.gz MSVCQARDHGLCLD-UHFFFAOYSA-N 1 2 246.220 2.557 20 30 BFEDLO COc1cccc(-c2cc(N)c(C)c[nH+]2)c1C#N ZINC001242298029 983527709 /nfs/dbraw/zinc/52/77/09/983527709.db2.gz CYVKNGWINXOYRX-UHFFFAOYSA-N 1 2 239.278 2.520 20 30 BFEDLO CNc1cc(C2=CC(=O)CC(C)(C)C2)cc[nH+]1 ZINC001242317537 983551518 /nfs/dbraw/zinc/55/15/18/983551518.db2.gz OPEYHMOZDYQNFV-UHFFFAOYSA-N 1 2 230.311 2.896 20 30 BFEDLO CCCC[N@@H+](CC#N)CCCC(F)(F)F ZINC001202433793 983676556 /nfs/dbraw/zinc/67/65/56/983676556.db2.gz VIIAHTMXEJICKG-UHFFFAOYSA-N 1 2 222.254 2.955 20 30 BFEDLO CCCC[N@H+](CC#N)CCCC(F)(F)F ZINC001202433793 983676558 /nfs/dbraw/zinc/67/65/58/983676558.db2.gz VIIAHTMXEJICKG-UHFFFAOYSA-N 1 2 222.254 2.955 20 30 BFEDLO CNc1cc(-c2ccc(C#N)cc2C)cc[nH+]1 ZINC001242473667 983800622 /nfs/dbraw/zinc/80/06/22/983800622.db2.gz BEWQCTVDYWSTLO-UHFFFAOYSA-N 1 2 223.279 2.970 20 30 BFEDLO Cc1cc(C#N)cc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001242478453 983807367 /nfs/dbraw/zinc/80/73/67/983807367.db2.gz IBGSZAYIQMDESU-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO Cc1cc(C#N)cc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001242480732 983808795 /nfs/dbraw/zinc/80/87/95/983808795.db2.gz PJAJLVSKFRODPW-UHFFFAOYSA-N 1 2 249.317 2.930 20 30 BFEDLO Cc1ccc(-c2[nH+]ccc3c2CCN3)c(C#N)c1 ZINC001242589468 983905563 /nfs/dbraw/zinc/90/55/63/983905563.db2.gz ISHAYHZPZZXCLP-UHFFFAOYSA-N 1 2 235.290 2.897 20 30 BFEDLO C[C@H]1CC(=O)C=C(c2ccn3cc[nH+]c3c2)C1 ZINC001242739167 984085573 /nfs/dbraw/zinc/08/55/73/984085573.db2.gz IMNDISFCTUYCEE-SNVBAGLBSA-N 1 2 226.279 2.717 20 30 BFEDLO Cc1ccc(-c2ccc(C#N)c(C)c2)[nH+]c1N ZINC001242765237 984143779 /nfs/dbraw/zinc/14/37/79/984143779.db2.gz GJPSYLKQQRPISW-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO C=C/C(=[NH+]\COC)c1ccc(N)c(Cl)c1 ZINC001243372709 984848967 /nfs/dbraw/zinc/84/89/67/984848967.db2.gz XSOQWROXUQNDOL-SDNWHVSQSA-N 1 2 224.691 2.501 20 30 BFEDLO N#C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000932147204 985012805 /nfs/dbraw/zinc/01/28/05/985012805.db2.gz BFPHSHBTFVLLHC-CYBMUJFWSA-N 1 2 232.302 2.604 20 30 BFEDLO N#C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000932147204 985012819 /nfs/dbraw/zinc/01/28/19/985012819.db2.gz BFPHSHBTFVLLHC-CYBMUJFWSA-N 1 2 232.302 2.604 20 30 BFEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC000932147177 985012947 /nfs/dbraw/zinc/01/29/47/985012947.db2.gz AWRFZRCSFGGQKO-LBPRGKRZSA-N 1 2 232.302 2.892 20 30 BFEDLO N#C[C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000932147177 985012962 /nfs/dbraw/zinc/01/29/62/985012962.db2.gz AWRFZRCSFGGQKO-LBPRGKRZSA-N 1 2 232.302 2.892 20 30 BFEDLO C[C@@H](C#N)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243473662 985025051 /nfs/dbraw/zinc/02/50/51/985025051.db2.gz NWJXRUBCWVDVRM-JTQLQIEISA-N 1 2 223.279 2.958 20 30 BFEDLO N#Cc1ccc2cc(-c3ccc[nH+]c3N)ccc2n1 ZINC001243476490 985034878 /nfs/dbraw/zinc/03/48/78/985034878.db2.gz BPRQMZIHOPDBDU-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO Cc1c[nH+]c(NC2=CC[C@@H](C#N)CC2)c(N)c1 ZINC001212856591 985237789 /nfs/dbraw/zinc/23/77/89/985237789.db2.gz PPLPCNCUSHTVHO-SNVBAGLBSA-N 1 2 228.299 2.592 20 30 BFEDLO Cc1ccc(C2=CC[C@@H](C#N)CC2)[nH+]c1N ZINC001243794168 985357640 /nfs/dbraw/zinc/35/76/40/985357640.db2.gz CUNPNPFKLKHFJX-SNVBAGLBSA-N 1 2 213.284 2.679 20 30 BFEDLO Cc1cc(-c2ccc(C#N)cc2N)cc(C)[nH+]1 ZINC001244083846 985795302 /nfs/dbraw/zinc/79/53/02/985795302.db2.gz GJSNBPLOERGFPI-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO Cc1cc(-c2ccncc2C#N)cn2cc[nH+]c12 ZINC001244333867 985969290 /nfs/dbraw/zinc/96/92/90/985969290.db2.gz PGPMYYLJWHCKQY-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(OC2CC2)c1F ZINC001461724640 986122284 /nfs/dbraw/zinc/12/22/84/986122284.db2.gz OUYKEMZZWFTIGN-JTQLQIEISA-N 1 2 248.301 2.759 20 30 BFEDLO C[N@H+](Cc1csc(C#N)c1)Cc1ccccn1 ZINC001462068974 986277369 /nfs/dbraw/zinc/27/73/69/986277369.db2.gz DNNIIVHTFKXYFP-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1ccccn1 ZINC001462068974 986277379 /nfs/dbraw/zinc/27/73/79/986277379.db2.gz DNNIIVHTFKXYFP-UHFFFAOYSA-N 1 2 243.335 2.647 20 30 BFEDLO COc1ccc(-c2ccn3cc[nH+]c3c2)cc1C#N ZINC001244708595 986316646 /nfs/dbraw/zinc/31/66/46/986316646.db2.gz YGIDIEFFFCAHPF-UHFFFAOYSA-N 1 2 249.273 2.882 20 30 BFEDLO CNc1cc(-c2ccc(CC#N)c(C#N)c2)cc[nH+]1 ZINC001244972189 986546112 /nfs/dbraw/zinc/54/61/12/986546112.db2.gz FJYFNZRAJVUEOJ-UHFFFAOYSA-N 1 2 248.289 2.728 20 30 BFEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCCCC(F)(F)C2)C1 ZINC001254660894 986711803 /nfs/dbraw/zinc/71/18/03/986711803.db2.gz MZHMOKBVZBBOHW-WDEREUQCSA-N 1 2 228.286 2.800 20 30 BFEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCCCC(F)(F)C2)C1 ZINC001254660894 986711821 /nfs/dbraw/zinc/71/18/21/986711821.db2.gz MZHMOKBVZBBOHW-WDEREUQCSA-N 1 2 228.286 2.800 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341541 986811046 /nfs/dbraw/zinc/81/10/46/986811046.db2.gz QPFSWKOMTUVAAR-JTQLQIEISA-N 1 2 243.285 2.652 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341541 986811053 /nfs/dbraw/zinc/81/10/53/986811053.db2.gz QPFSWKOMTUVAAR-JTQLQIEISA-N 1 2 243.285 2.652 20 30 BFEDLO C=C/C(=[NH+]\COC)c1ccc(N)cc1Cl ZINC001245506700 986886064 /nfs/dbraw/zinc/88/60/64/986886064.db2.gz YEPFSFUAXPWWOW-SDNWHVSQSA-N 1 2 224.691 2.501 20 30 BFEDLO Cc1cc(-c2ccc(CC#N)c(C#N)c2)c[nH+]c1N ZINC001245536979 986916407 /nfs/dbraw/zinc/91/64/07/986916407.db2.gz PSHOWCOYXYZDDL-UHFFFAOYSA-N 1 2 248.289 2.577 20 30 BFEDLO Cc1cc(-c2cc(F)cc(C)c2C#N)c[nH+]c1N ZINC001245537883 986922367 /nfs/dbraw/zinc/92/23/67/986922367.db2.gz GNTDQSZSBRCCDM-UHFFFAOYSA-N 1 2 241.269 2.958 20 30 BFEDLO CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC#N ZINC001473631157 987507904 /nfs/dbraw/zinc/50/79/04/987507904.db2.gz LXQVTCKTQDJAKJ-HNNXBMFYSA-N 1 2 228.339 2.997 20 30 BFEDLO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC#N ZINC001473631157 987507912 /nfs/dbraw/zinc/50/79/12/987507912.db2.gz LXQVTCKTQDJAKJ-HNNXBMFYSA-N 1 2 228.339 2.997 20 30 BFEDLO CCCCCCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246594644 988189040 /nfs/dbraw/zinc/18/90/40/988189040.db2.gz QASIALJLHHKMHL-KGLIPLIRSA-N 1 2 237.391 2.533 20 30 BFEDLO CC(C)C(C#N)=CNNc1cccc(Cl)[nH+]1 ZINC001324142437 988723909 /nfs/dbraw/zinc/72/39/09/988723909.db2.gz FIRWKYBYYRNRKW-VIFPVBQESA-N 1 2 236.706 2.928 20 30 BFEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccn2C2CC2)C1 ZINC001324371244 988820046 /nfs/dbraw/zinc/82/00/46/988820046.db2.gz YGIVEUWYHMVYTN-OAHLLOKOSA-N 1 2 243.354 2.949 20 30 BFEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001324371244 988820049 /nfs/dbraw/zinc/82/00/49/988820049.db2.gz YGIVEUWYHMVYTN-OAHLLOKOSA-N 1 2 243.354 2.949 20 30 BFEDLO C[C@@H]1CCCC(=NNCCCn2cc[nH+]c2)CC1 ZINC001119356322 989005491 /nfs/dbraw/zinc/00/54/91/989005491.db2.gz GPJZZOUTPVQTSN-CYBMUJFWSA-N 1 2 248.374 2.819 20 30 BFEDLO CCc1cc(C#N)ccc1C[N@H+](CC)CCC#N ZINC001248751470 989141051 /nfs/dbraw/zinc/14/10/51/989141051.db2.gz XOELQCNHUFAWQY-UHFFFAOYSA-N 1 2 241.338 2.856 20 30 BFEDLO CCc1cc(C#N)ccc1C[N@@H+](CC)CCC#N ZINC001248751470 989141056 /nfs/dbraw/zinc/14/10/56/989141056.db2.gz XOELQCNHUFAWQY-UHFFFAOYSA-N 1 2 241.338 2.856 20 30 BFEDLO N#CC1(C[NH2+]C2(c3ccccc3F)CC2)CC1 ZINC000343579832 989253035 /nfs/dbraw/zinc/25/30/35/989253035.db2.gz FMQONDZSHHYARX-UHFFFAOYSA-N 1 2 230.286 2.708 20 30 BFEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)ns1 ZINC001249588444 989318038 /nfs/dbraw/zinc/31/80/38/989318038.db2.gz GSTMYSMNHJYUNM-NSHDSACASA-N 1 2 235.356 2.577 20 30 BFEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ns1 ZINC001249588444 989318048 /nfs/dbraw/zinc/31/80/48/989318048.db2.gz GSTMYSMNHJYUNM-NSHDSACASA-N 1 2 235.356 2.577 20 30 BFEDLO N#Cc1ccnc(/C=C\c2c[nH+]c3ccccn23)c1 ZINC001326786526 989704986 /nfs/dbraw/zinc/70/49/86/989704986.db2.gz FJGCLRHLMUFXBC-PLNGDYQASA-N 1 2 246.273 2.771 20 30 BFEDLO C=CCC[C@@H]1CCCN1c1nccn2c[nH+]cc12 ZINC001120975745 989994024 /nfs/dbraw/zinc/99/40/24/989994024.db2.gz FZULDPQJAJNVBB-GFCCVEGCSA-N 1 2 242.326 2.664 20 30 BFEDLO C=CCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001535108290 990464272 /nfs/dbraw/zinc/46/42/72/990464272.db2.gz QEUHBQQJSFQCGO-UHFFFAOYSA-N 1 2 229.283 2.629 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1c(O)cccc1F ZINC001137837744 990857035 /nfs/dbraw/zinc/85/70/35/990857035.db2.gz SRNWXUAKDZDVCX-UHFFFAOYSA-N 1 2 236.290 2.657 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1c(O)cccc1F ZINC001137837744 990857036 /nfs/dbraw/zinc/85/70/36/990857036.db2.gz SRNWXUAKDZDVCX-UHFFFAOYSA-N 1 2 236.290 2.657 20 30 BFEDLO CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC(C#N)C1 ZINC001258063410 990953790 /nfs/dbraw/zinc/95/37/90/990953790.db2.gz MUMSGFSQRVWGGV-NWDGAFQWSA-N 1 2 208.349 2.903 20 30 BFEDLO CSCC[C@@H](C)[N@@H+]1CCCC[C@H]1C#N ZINC001258222211 991149322 /nfs/dbraw/zinc/14/93/22/991149322.db2.gz LNROBRZWLPDWDN-MNOVXSKESA-N 1 2 212.362 2.506 20 30 BFEDLO CSCC[C@@H](C)[N@H+]1CCCC[C@H]1C#N ZINC001258222211 991149333 /nfs/dbraw/zinc/14/93/33/991149333.db2.gz LNROBRZWLPDWDN-MNOVXSKESA-N 1 2 212.362 2.506 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1ccc(O)c(F)c1F ZINC001308871567 991180032 /nfs/dbraw/zinc/18/00/32/991180032.db2.gz DEYKRCRDCCNGPS-UHFFFAOYSA-N 1 2 227.254 2.678 20 30 BFEDLO Cn1ccc2ccc(C[N@H+](C)CCC#N)cc21 ZINC001139204302 991180575 /nfs/dbraw/zinc/18/05/75/991180575.db2.gz MZFLHMOUWTUZPV-UHFFFAOYSA-N 1 2 227.311 2.524 20 30 BFEDLO Cn1ccc2ccc(C[N@@H+](C)CCC#N)cc21 ZINC001139204302 991180587 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/nfs/dbraw/zinc/41/98/61/343419861.db2.gz ATVZSDDEVNIWNH-LBPRGKRZSA-N 1 2 239.359 2.520 20 30 BFEDLO COC[C@H]([NH2+]CCC#N)c1cccc(Cl)c1 ZINC000298601063 536876751 /nfs/dbraw/zinc/87/67/51/536876751.db2.gz SJASGABCQHIMLI-LBPRGKRZSA-N 1 2 238.718 2.531 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccon1 ZINC000349244242 136332560 /nfs/dbraw/zinc/33/25/60/136332560.db2.gz QNKUXIHFVQRYHR-SECBINFHSA-N 1 2 245.257 2.536 20 30 BFEDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc(C#N)cc1 ZINC000349245458 136332707 /nfs/dbraw/zinc/33/27/07/136332707.db2.gz RJXGBELCQMMWHB-MNOVXSKESA-N 1 2 241.294 2.958 20 30 BFEDLO Cc1ccc(NC(=O)[C@@H]2C[C@]23CCOC3)c(C)[nH+]1 ZINC000329600577 136366515 /nfs/dbraw/zinc/36/65/15/136366515.db2.gz KESVQAXPHRPCKB-FZMZJTMJSA-N 1 2 246.310 2.713 20 30 BFEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC=CCC1 ZINC000329611905 136367025 /nfs/dbraw/zinc/36/70/25/136367025.db2.gz OHQKZAXNXWHZTN-GHMZBOCLSA-N 1 2 245.326 2.580 20 30 BFEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC=CCC1 ZINC000329611905 136367026 /nfs/dbraw/zinc/36/70/26/136367026.db2.gz OHQKZAXNXWHZTN-GHMZBOCLSA-N 1 2 245.326 2.580 20 30 BFEDLO Cc1ccnc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000616757917 343560712 /nfs/dbraw/zinc/56/07/12/343560712.db2.gz IJBXDOIQXDOQLJ-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1ccnc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000616757917 343560714 /nfs/dbraw/zinc/56/07/14/343560714.db2.gz IJBXDOIQXDOQLJ-UHFFFAOYSA-N 1 2 229.327 2.516 20 30 BFEDLO CC1(C)C[N@H+](CC2(C#N)CC2)[C@@H]1c1ccco1 ZINC000602928084 349821509 /nfs/dbraw/zinc/82/15/09/349821509.db2.gz WZZZHHVNEARZLS-GFCCVEGCSA-N 1 2 230.311 2.966 20 30 BFEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)[C@@H]1c1ccco1 ZINC000602928084 349821512 /nfs/dbraw/zinc/82/15/12/349821512.db2.gz WZZZHHVNEARZLS-GFCCVEGCSA-N 1 2 230.311 2.966 20 30 BFEDLO Cn1cc[nH+]c1CNc1ccc(Cl)cc1C#N ZINC000071274321 343646368 /nfs/dbraw/zinc/64/63/68/343646368.db2.gz NTTQYBPQEFMUFH-UHFFFAOYSA-N 1 2 246.701 2.557 20 30 BFEDLO Cc1cnccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981434 349831080 /nfs/dbraw/zinc/83/10/80/349831080.db2.gz CZKPPLYPHJDNDM-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cnccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981434 349831083 /nfs/dbraw/zinc/83/10/83/349831083.db2.gz CZKPPLYPHJDNDM-OCCSQVGLSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000602982716 349835283 /nfs/dbraw/zinc/83/52/83/349835283.db2.gz XIGJAKAUEMSMJI-KGLIPLIRSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000602982716 349835286 /nfs/dbraw/zinc/83/52/86/349835286.db2.gz XIGJAKAUEMSMJI-KGLIPLIRSA-N 1 2 229.327 2.514 20 30 BFEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCC[C@H]1C#N ZINC000602974514 349839010 /nfs/dbraw/zinc/83/90/10/349839010.db2.gz PHSDWFAAHHKTRD-DZGCQCFKSA-N 1 2 239.322 2.682 20 30 BFEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCC[C@H]1C#N ZINC000602974514 349839014 /nfs/dbraw/zinc/83/90/14/349839014.db2.gz PHSDWFAAHHKTRD-DZGCQCFKSA-N 1 2 239.322 2.682 20 30 BFEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCC[C@H]1C#N ZINC000602974517 349839324 /nfs/dbraw/zinc/83/93/24/349839324.db2.gz PHSDWFAAHHKTRD-ZFWWWQNUSA-N 1 2 239.322 2.682 20 30 BFEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCC[C@H]1C#N ZINC000602974517 349839328 /nfs/dbraw/zinc/83/93/28/349839328.db2.gz PHSDWFAAHHKTRD-ZFWWWQNUSA-N 1 2 239.322 2.682 20 30 BFEDLO CC(C)(C#N)CCC[N@@H+]1OC2CCC1CC2 ZINC000603030760 349860186 /nfs/dbraw/zinc/86/01/86/349860186.db2.gz FTOCBUPWWRITSB-UHFFFAOYSA-N 1 2 222.332 2.875 20 30 BFEDLO CC(C)(C#N)CCC[N@H+]1OC2CCC1CC2 ZINC000603030760 349860188 /nfs/dbraw/zinc/86/01/88/349860188.db2.gz FTOCBUPWWRITSB-UHFFFAOYSA-N 1 2 222.332 2.875 20 30 BFEDLO N#Cc1csc(C[NH+]2CC3(C2)CCCCC3)n1 ZINC000334716779 343902844 /nfs/dbraw/zinc/90/28/44/343902844.db2.gz WOXVWULELCFJCK-UHFFFAOYSA-N 1 2 247.367 2.781 20 30 BFEDLO CCC[N@@H+](CC#N)CCCCCn1cc(C)cn1 ZINC000111205123 344583873 /nfs/dbraw/zinc/58/38/73/344583873.db2.gz HXHIOTHDMVNATN-UHFFFAOYSA-N 1 2 248.374 2.597 20 30 BFEDLO CCC[N@H+](CC#N)CCCCCn1cc(C)cn1 ZINC000111205123 344583874 /nfs/dbraw/zinc/58/38/74/344583874.db2.gz HXHIOTHDMVNATN-UHFFFAOYSA-N 1 2 248.374 2.597 20 30 BFEDLO C=C(CC)C[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018740 344674965 /nfs/dbraw/zinc/67/49/65/344674965.db2.gz VOYDONHGFKQRRM-UWVGGRQHSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C(CC)C[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018740 344674966 /nfs/dbraw/zinc/67/49/66/344674966.db2.gz VOYDONHGFKQRRM-UWVGGRQHSA-N 1 2 237.265 2.604 20 30 BFEDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCCC#N)o1 ZINC000116895204 344737242 /nfs/dbraw/zinc/73/72/42/344737242.db2.gz AGUOOVWIQWQZMS-ZDUSSCGKSA-N 1 2 248.326 2.655 20 30 BFEDLO Cc1ccc([C@@H]2COCC[N@H+]2CCCCC#N)o1 ZINC000116895204 344737243 /nfs/dbraw/zinc/73/72/43/344737243.db2.gz AGUOOVWIQWQZMS-ZDUSSCGKSA-N 1 2 248.326 2.655 20 30 BFEDLO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353186714 534985944 /nfs/dbraw/zinc/98/59/44/534985944.db2.gz VYZRMZGMRRFTQI-VIFPVBQESA-N 1 2 216.275 2.656 20 30 BFEDLO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C(F)F ZINC000353186714 534985954 /nfs/dbraw/zinc/98/59/54/534985954.db2.gz VYZRMZGMRRFTQI-VIFPVBQESA-N 1 2 216.275 2.656 20 30 BFEDLO C=CCC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641610243 362546219 /nfs/dbraw/zinc/54/62/19/362546219.db2.gz QRKTXIAFFGCOBG-UHFFFAOYSA-N 1 2 220.316 2.588 20 30 BFEDLO CN(C)c1c[nH+]cc(NCC(C)(C)CCC#N)c1 ZINC000601141561 346350752 /nfs/dbraw/zinc/35/07/52/346350752.db2.gz LYUFNIJGWNQBPM-UHFFFAOYSA-N 1 2 246.358 2.889 20 30 BFEDLO CC(C)c1nc2[nH]ccc2c(NCCCC#N)[nH+]1 ZINC000601141395 346351601 /nfs/dbraw/zinc/35/16/01/346351601.db2.gz KRUDXMHVZZACAV-UHFFFAOYSA-N 1 2 243.314 2.749 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1cscn1 ZINC000161752837 346385625 /nfs/dbraw/zinc/38/56/25/346385625.db2.gz NVXIECIBIUKJDH-SSDOTTSWSA-N 1 2 202.710 2.546 20 30 BFEDLO N#Cc1csc(C[NH+]2CCC(C3CC3)CC2)n1 ZINC000590052914 346768189 /nfs/dbraw/zinc/76/81/89/346768189.db2.gz PXJSQUQHSZCBSX-UHFFFAOYSA-N 1 2 247.367 2.637 20 30 BFEDLO CC[N@H+](CC#N)C[C@@H](C)c1ccccc1 ZINC000116877929 347141284 /nfs/dbraw/zinc/14/12/84/347141284.db2.gz HJVYZUIINPPYTB-GFCCVEGCSA-N 1 2 202.301 2.636 20 30 BFEDLO CC[N@@H+](CC#N)C[C@@H](C)c1ccccc1 ZINC000116877929 347141285 /nfs/dbraw/zinc/14/12/85/347141285.db2.gz HJVYZUIINPPYTB-GFCCVEGCSA-N 1 2 202.301 2.636 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc(C(F)F)cc1 ZINC000183957294 347143956 /nfs/dbraw/zinc/14/39/56/347143956.db2.gz VWLKTLDGEOGAGU-UHFFFAOYSA-N 1 2 224.254 2.970 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc(C(F)F)cc1 ZINC000183957294 347143958 /nfs/dbraw/zinc/14/39/58/347143958.db2.gz VWLKTLDGEOGAGU-UHFFFAOYSA-N 1 2 224.254 2.970 20 30 BFEDLO CCc1cccc(C[N@H+](C)CCC#N)c1 ZINC000189525610 347303427 /nfs/dbraw/zinc/30/34/27/347303427.db2.gz UWSMBPYOTPJWCM-UHFFFAOYSA-N 1 2 202.301 2.594 20 30 BFEDLO CCc1cccc(C[N@@H+](C)CCC#N)c1 ZINC000189525610 347303430 /nfs/dbraw/zinc/30/34/30/347303430.db2.gz UWSMBPYOTPJWCM-UHFFFAOYSA-N 1 2 202.301 2.594 20 30 BFEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1C ZINC000193880616 347406983 /nfs/dbraw/zinc/40/69/83/347406983.db2.gz SJICBCJXVFHVJC-LBPRGKRZSA-N 1 2 232.327 2.738 20 30 BFEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1C ZINC000193880616 347406986 /nfs/dbraw/zinc/40/69/86/347406986.db2.gz SJICBCJXVFHVJC-LBPRGKRZSA-N 1 2 232.327 2.738 20 30 BFEDLO Cc1cnccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000590640481 347484171 /nfs/dbraw/zinc/48/41/71/347484171.db2.gz CZBFUCXLAWHKSW-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cnccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000590640481 347484173 /nfs/dbraw/zinc/48/41/73/347484173.db2.gz CZBFUCXLAWHKSW-NSHDSACASA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cnccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590649050 347485384 /nfs/dbraw/zinc/48/53/84/347485384.db2.gz OIKQJAGRIMQNIQ-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO Cc1cnccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590649050 347485385 /nfs/dbraw/zinc/48/53/85/347485385.db2.gz OIKQJAGRIMQNIQ-AWEZNQCLSA-N 1 2 229.327 2.516 20 30 BFEDLO N#C[C@@]1(F)CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000590724028 347495228 /nfs/dbraw/zinc/49/52/28/347495228.db2.gz QBZCFBKXTWHBKN-BPCQOVAHSA-N 1 2 222.307 2.504 20 30 BFEDLO N#C[C@@]1(F)CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000590724028 347495230 /nfs/dbraw/zinc/49/52/30/347495230.db2.gz QBZCFBKXTWHBKN-BPCQOVAHSA-N 1 2 222.307 2.504 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)o1 ZINC000054183408 347480174 /nfs/dbraw/zinc/48/01/74/347480174.db2.gz UCAHOSOVSIPQEH-MRVPVSSYSA-N 1 2 212.680 2.715 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000590765352 347530076 /nfs/dbraw/zinc/53/00/76/347530076.db2.gz OFIGTKYEFVEQLQ-CYDGBPFRSA-N 1 2 239.359 2.518 20 30 BFEDLO CC(C)(CC#N)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000590970646 347597380 /nfs/dbraw/zinc/59/73/80/347597380.db2.gz QSSWEKHNRVJPFY-UHFFFAOYSA-N 1 2 242.326 2.592 20 30 BFEDLO CC(C)n1c[nH+]cc1CN1CCC[C@@](C)(C#N)C1 ZINC000591837220 347703858 /nfs/dbraw/zinc/70/38/58/347703858.db2.gz RNWQQIYETFQOQJ-AWEZNQCLSA-N 1 2 246.358 2.590 20 30 BFEDLO COc1ccccc1C1([NH2+]CC2(C#N)CC2)CC1 ZINC000592142744 347747990 /nfs/dbraw/zinc/74/79/90/347747990.db2.gz CGHKTZBJRKPBLM-UHFFFAOYSA-N 1 2 242.322 2.578 20 30 BFEDLO CC1(C)CC[C@H](C[N@H+](CC#N)C2CCCC2)O1 ZINC000160371804 347803031 /nfs/dbraw/zinc/80/30/31/347803031.db2.gz SLHHVYHEYGOSQW-CYBMUJFWSA-N 1 2 236.359 2.712 20 30 BFEDLO CC1(C)CC[C@H](C[N@@H+](CC#N)C2CCCC2)O1 ZINC000160371804 347803034 /nfs/dbraw/zinc/80/30/34/347803034.db2.gz SLHHVYHEYGOSQW-CYBMUJFWSA-N 1 2 236.359 2.712 20 30 BFEDLO C[C@@H](CCC#N)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125831 347864003 /nfs/dbraw/zinc/86/40/03/347864003.db2.gz HEMLPTPOOOVEAN-NSHDSACASA-N 1 2 225.295 2.566 20 30 BFEDLO C[C@@H](CCC#N)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125831 347864007 /nfs/dbraw/zinc/86/40/07/347864007.db2.gz HEMLPTPOOOVEAN-NSHDSACASA-N 1 2 225.295 2.566 20 30 BFEDLO C[C@H](CCC#N)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125828 347864065 /nfs/dbraw/zinc/86/40/65/347864065.db2.gz HEMLPTPOOOVEAN-LLVKDONJSA-N 1 2 225.295 2.566 20 30 BFEDLO C[C@H](CCC#N)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125828 347864068 /nfs/dbraw/zinc/86/40/68/347864068.db2.gz HEMLPTPOOOVEAN-LLVKDONJSA-N 1 2 225.295 2.566 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2cnccc2o1 ZINC000593571263 347912451 /nfs/dbraw/zinc/91/24/51/347912451.db2.gz FBTLXUZCMHZDHH-SNVBAGLBSA-N 1 2 229.283 2.562 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2cnccc2o1 ZINC000593571263 347912454 /nfs/dbraw/zinc/91/24/54/347912454.db2.gz FBTLXUZCMHZDHH-SNVBAGLBSA-N 1 2 229.283 2.562 20 30 BFEDLO CC1(C#N)C[NH+](Cc2cccc3c2CCC3)C1 ZINC000593642702 347925579 /nfs/dbraw/zinc/92/55/79/347925579.db2.gz NWMQCVWBRWVBQB-UHFFFAOYSA-N 1 2 226.323 2.521 20 30 BFEDLO C[C@H](CCc1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC000593982432 347986892 /nfs/dbraw/zinc/98/68/92/347986892.db2.gz LJZRCAYGUGLSTO-CYBMUJFWSA-N 1 2 228.339 2.853 20 30 BFEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)CC2(CCCCC2)O1 ZINC000594059744 347996576 /nfs/dbraw/zinc/99/65/76/347996576.db2.gz ZSMPCWIILMRAHJ-CYBMUJFWSA-N 1 2 248.370 2.714 20 30 BFEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CC2(CCCCC2)O1 ZINC000594059744 347996577 /nfs/dbraw/zinc/99/65/77/347996577.db2.gz ZSMPCWIILMRAHJ-CYBMUJFWSA-N 1 2 248.370 2.714 20 30 BFEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cscn1 ZINC000594966213 348160594 /nfs/dbraw/zinc/16/05/94/348160594.db2.gz QSTNARMUWKJAMF-MRVPVSSYSA-N 1 2 249.364 2.927 20 30 BFEDLO C#CC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000171669507 187390300 /nfs/dbraw/zinc/39/03/00/187390300.db2.gz ZPJSGQCCEZQODK-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO C#CC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000171669507 187390302 /nfs/dbraw/zinc/39/03/02/187390302.db2.gz ZPJSGQCCEZQODK-UHFFFAOYSA-N 1 2 211.667 2.544 20 30 BFEDLO C=CCCSCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000595061007 348184687 /nfs/dbraw/zinc/18/46/87/348184687.db2.gz XAQAUSKHSLOGAO-JTQLQIEISA-N 1 2 239.388 2.678 20 30 BFEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000170915680 187389930 /nfs/dbraw/zinc/38/99/30/187389930.db2.gz RKMYOAXKPVEVMU-UHFFFAOYSA-N 1 2 241.718 2.585 20 30 BFEDLO C=C(Cl)C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000170915680 187389931 /nfs/dbraw/zinc/38/99/31/187389931.db2.gz RKMYOAXKPVEVMU-UHFFFAOYSA-N 1 2 241.718 2.585 20 30 BFEDLO COCC[N@H+](CC#N)C[C@H]1CCCCC1(C)C ZINC000595522686 348269842 /nfs/dbraw/zinc/26/98/42/348269842.db2.gz FGUBDPYRSONUFY-CYBMUJFWSA-N 1 2 238.375 2.675 20 30 BFEDLO COCC[N@@H+](CC#N)C[C@H]1CCCCC1(C)C ZINC000595522686 348269844 /nfs/dbraw/zinc/26/98/44/348269844.db2.gz FGUBDPYRSONUFY-CYBMUJFWSA-N 1 2 238.375 2.675 20 30 BFEDLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595621787 348291244 /nfs/dbraw/zinc/29/12/44/348291244.db2.gz YSVFMZSYHVNABH-VXGBXAGGSA-N 1 2 233.315 2.670 20 30 BFEDLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595621787 348291246 /nfs/dbraw/zinc/29/12/46/348291246.db2.gz YSVFMZSYHVNABH-VXGBXAGGSA-N 1 2 233.315 2.670 20 30 BFEDLO C=C(CC)C[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595707245 348319795 /nfs/dbraw/zinc/31/97/95/348319795.db2.gz JVWBHMYVSPZPIP-MQMHXKEQSA-N 1 2 239.359 2.664 20 30 BFEDLO C[C@H](C#N)[N@H+](CC12CCC(CC1)C2)C1CC1 ZINC000595709114 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349073376 /nfs/dbraw/zinc/07/33/76/349073376.db2.gz QYLQJFZKWDAWSH-UHFFFAOYSA-N 1 2 230.283 2.755 20 30 BFEDLO Cc1cc(NC[C@]2(C)C[C@H]3C[C@H]3C2)c(C#N)c[nH+]1 ZINC000599171387 349110871 /nfs/dbraw/zinc/11/08/71/349110871.db2.gz FPFATXLPGNBZFF-JJLQDPRZSA-N 1 2 241.338 2.532 20 30 BFEDLO Cc1cc(C)cc(OCC[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000604305106 350100639 /nfs/dbraw/zinc/10/06/39/350100639.db2.gz UFXGGEJAFDYXBQ-AWEZNQCLSA-N 1 2 246.354 2.916 20 30 BFEDLO Cc1cc(C)cc(OCC[N@H+](C)[C@@H](C)CC#N)c1 ZINC000604305106 350100644 /nfs/dbraw/zinc/10/06/44/350100644.db2.gz UFXGGEJAFDYXBQ-AWEZNQCLSA-N 1 2 246.354 2.916 20 30 BFEDLO CC(C)(C)c1cc(C[NH+]2CCC(C#N)CC2)no1 ZINC000335891579 535105979 /nfs/dbraw/zinc/10/59/79/535105979.db2.gz BQQRNLIIJDUANJ-UHFFFAOYSA-N 1 2 247.342 2.708 20 30 BFEDLO C=C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)C)C(=O)OC ZINC000304207020 350405678 /nfs/dbraw/zinc/40/56/78/350405678.db2.gz KOIIHYNLXKJIHR-AGIUHOORSA-N 1 2 239.359 2.518 20 30 BFEDLO Cc1ncc(C[N@@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000336707214 350460022 /nfs/dbraw/zinc/46/00/22/350460022.db2.gz SFXBYNPPDGNJPI-VIFPVBQESA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1ncc(C[N@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000336707214 350460024 /nfs/dbraw/zinc/46/00/24/350460024.db2.gz SFXBYNPPDGNJPI-VIFPVBQESA-N 1 2 235.356 2.576 20 30 BFEDLO Cc1csc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000227354505 350493656 /nfs/dbraw/zinc/49/36/56/350493656.db2.gz ZTXMCLLILASZPI-UHFFFAOYSA-N 1 2 235.356 2.577 20 30 BFEDLO C=CCC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000606897076 350621207 /nfs/dbraw/zinc/62/12/07/350621207.db2.gz OSNCSFWLYIHWIW-LLVKDONJSA-N 1 2 235.331 2.735 20 30 BFEDLO C=CCC[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000606897076 350621211 /nfs/dbraw/zinc/62/12/11/350621211.db2.gz OSNCSFWLYIHWIW-LLVKDONJSA-N 1 2 235.331 2.735 20 30 BFEDLO Cc1[nH+]ccc(NCC2(C#N)CCC2)c1Cl ZINC000335623361 350651089 /nfs/dbraw/zinc/65/10/89/350651089.db2.gz LPZXQIREZPJVER-UHFFFAOYSA-N 1 2 235.718 2.571 20 30 BFEDLO N#Cc1csc(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000309527882 350701839 /nfs/dbraw/zinc/70/18/39/350701839.db2.gz COBULUWGKQAVHQ-JTQLQIEISA-N 1 2 242.294 2.897 20 30 BFEDLO N#CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000051688891 350764448 /nfs/dbraw/zinc/76/44/48/350764448.db2.gz KCXIMYBESCCVBK-CQSZACIVSA-N 1 2 248.301 2.503 20 30 BFEDLO N#CCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000051688891 350764449 /nfs/dbraw/zinc/76/44/49/350764449.db2.gz KCXIMYBESCCVBK-CQSZACIVSA-N 1 2 248.301 2.503 20 30 BFEDLO CC[C@@H]([NH2+]CCC#N)c1ccccc1F ZINC000168115242 351299130 /nfs/dbraw/zinc/29/91/30/351299130.db2.gz GXVJHGPNMDFFIC-GFCCVEGCSA-N 1 2 206.264 2.780 20 30 BFEDLO CC(C)n1c[nH+]cc1CNc1ccc(C#N)cc1 ZINC000090207563 363023124 /nfs/dbraw/zinc/02/31/24/363023124.db2.gz WXVVCEKYNGJXRR-UHFFFAOYSA-N 1 2 240.310 2.948 20 30 BFEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271592745 363019058 /nfs/dbraw/zinc/01/90/58/363019058.db2.gz GCSHZWWOFPEEGC-UWVGGRQHSA-N 1 2 233.271 2.548 20 30 BFEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)s1 ZINC000271119318 351402150 /nfs/dbraw/zinc/40/21/50/351402150.db2.gz HDXHKWIEAGMQPM-VIFPVBQESA-N 1 2 208.330 2.648 20 30 BFEDLO Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)s1 ZINC000271119318 351402153 /nfs/dbraw/zinc/40/21/53/351402153.db2.gz HDXHKWIEAGMQPM-VIFPVBQESA-N 1 2 208.330 2.648 20 30 BFEDLO N#CC[N@H+](CCCCc1ccccc1)C1CC1 ZINC000274806103 351583007 /nfs/dbraw/zinc/58/30/07/351583007.db2.gz SPXDJYVTGMZNIV-UHFFFAOYSA-N 1 2 228.339 2.997 20 30 BFEDLO N#CC[N@@H+](CCCCc1ccccc1)C1CC1 ZINC000274806103 351583011 /nfs/dbraw/zinc/58/30/11/351583011.db2.gz SPXDJYVTGMZNIV-UHFFFAOYSA-N 1 2 228.339 2.997 20 30 BFEDLO COc1cccc2c(NCCCC#N)cc[nH+]c12 ZINC000275815619 351606713 /nfs/dbraw/zinc/60/67/13/351606713.db2.gz MDMSZVQCERVLHQ-UHFFFAOYSA-N 1 2 241.294 2.959 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc(C)ns1 ZINC000637832615 351681916 /nfs/dbraw/zinc/68/19/16/351681916.db2.gz KLAMIPLVVPTSIX-UHFFFAOYSA-N 1 2 208.330 2.626 20 30 BFEDLO N#Cc1cccc2c1C[N@H+](CCc1cccnc1)C2 ZINC000405096312 351743833 /nfs/dbraw/zinc/74/38/33/351743833.db2.gz XWRAUOSMENGHHT-UHFFFAOYSA-N 1 2 249.317 2.512 20 30 BFEDLO N#Cc1cccc2c1C[N@@H+](CCc1cccnc1)C2 ZINC000405096312 351743835 /nfs/dbraw/zinc/74/38/35/351743835.db2.gz XWRAUOSMENGHHT-UHFFFAOYSA-N 1 2 249.317 2.512 20 30 BFEDLO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CC#N)C1 ZINC000285727322 352057441 /nfs/dbraw/zinc/05/74/41/352057441.db2.gz XIHCLVXOYLHGRM-GXTWGEPZSA-N 1 2 214.312 2.983 20 30 BFEDLO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC#N)C1 ZINC000285727322 352057444 /nfs/dbraw/zinc/05/74/44/352057444.db2.gz XIHCLVXOYLHGRM-GXTWGEPZSA-N 1 2 214.312 2.983 20 30 BFEDLO C[C@]1(c2ccccc2)CCC[N@H+](CC#N)CC1 ZINC000285392923 352041507 /nfs/dbraw/zinc/04/15/07/352041507.db2.gz OFGPPXMVOFWMQZ-HNNXBMFYSA-N 1 2 228.339 2.954 20 30 BFEDLO C[C@]1(c2ccccc2)CCC[N@@H+](CC#N)CC1 ZINC000285392923 352041511 /nfs/dbraw/zinc/04/15/11/352041511.db2.gz OFGPPXMVOFWMQZ-HNNXBMFYSA-N 1 2 228.339 2.954 20 30 BFEDLO CCC(CC)C[N@H+](CCC#N)Cc1n[nH]cc1C ZINC000290331783 352221234 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ZINC000618572708 369175783 /nfs/dbraw/zinc/17/57/83/369175783.db2.gz CEKBRGSOXCYKLQ-GHMZBOCLSA-N 1 2 231.299 2.584 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000619068141 369272787 /nfs/dbraw/zinc/27/27/87/369272787.db2.gz RDJJDGMOQDMSNC-LLVKDONJSA-N 1 2 227.311 2.759 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000619068141 369272792 /nfs/dbraw/zinc/27/27/92/369272792.db2.gz RDJJDGMOQDMSNC-LLVKDONJSA-N 1 2 227.311 2.759 20 30 BFEDLO CC1(C#N)C[NH+](CCCCOc2ccccc2)C1 ZINC000459595720 203312328 /nfs/dbraw/zinc/31/23/28/203312328.db2.gz QTOXBBCYCIYYTE-UHFFFAOYSA-N 1 2 244.338 2.691 20 30 BFEDLO N#Cc1ccc(-c2c[nH+]c3n2CCCC3)s1 ZINC000600845056 369569637 /nfs/dbraw/zinc/56/96/37/369569637.db2.gz HDCGENAXJBUADW-UHFFFAOYSA-N 1 2 229.308 2.820 20 30 BFEDLO CCC1(C)C[NH+](Cc2cccc(F)c2C#N)C1 ZINC000602688052 369841359 /nfs/dbraw/zinc/84/13/59/369841359.db2.gz IZCVPUWYNSFIEL-UHFFFAOYSA-N 1 2 232.302 2.929 20 30 BFEDLO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(F)F ZINC000603430658 369966670 /nfs/dbraw/zinc/96/66/70/369966670.db2.gz UJMQIBFNDTWCHH-PRHODGIISA-N 1 2 236.265 2.789 20 30 BFEDLO C=C(C)[C@@H](CO)[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401572 370339267 /nfs/dbraw/zinc/33/92/67/370339267.db2.gz CYRNLAKKTXCCFB-VXGBXAGGSA-N 1 2 247.329 2.727 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000177474924 206007214 /nfs/dbraw/zinc/00/72/14/206007214.db2.gz CUZALXZRJRREIC-SNVBAGLBSA-N 1 2 240.372 2.858 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000177474924 206007220 /nfs/dbraw/zinc/00/72/20/206007220.db2.gz CUZALXZRJRREIC-SNVBAGLBSA-N 1 2 240.372 2.858 20 30 BFEDLO CC[C@@H](F)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429026359 206060898 /nfs/dbraw/zinc/06/08/98/206060898.db2.gz YGQUEJYMXOAUFL-KFWWJZLASA-N 1 2 246.329 2.974 20 30 BFEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429026359 206060904 /nfs/dbraw/zinc/06/09/04/206060904.db2.gz YGQUEJYMXOAUFL-KFWWJZLASA-N 1 2 246.329 2.974 20 30 BFEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccncc1F ZINC000337951043 384154890 /nfs/dbraw/zinc/15/48/90/384154890.db2.gz WPCZEMPCWSZPCQ-VIFPVBQESA-N 1 2 245.257 2.536 20 30 BFEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1[N+](=O)[O-] ZINC000093090633 384209886 /nfs/dbraw/zinc/20/98/86/384209886.db2.gz NHAWJPIZGYEMTQ-LLVKDONJSA-N 1 2 247.298 2.637 20 30 BFEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1[N+](=O)[O-] ZINC000093090633 384209893 /nfs/dbraw/zinc/20/98/93/384209893.db2.gz NHAWJPIZGYEMTQ-LLVKDONJSA-N 1 2 247.298 2.637 20 30 BFEDLO Cc1c[nH+]ccc1NC(=O)c1cc(C#N)cs1 ZINC000084188313 384245977 /nfs/dbraw/zinc/24/59/77/384245977.db2.gz YUZQAXXDXWICGA-UHFFFAOYSA-N 1 2 243.291 2.576 20 30 BFEDLO Cc1cc(N2C[C@H](C)S[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000335514799 384294631 /nfs/dbraw/zinc/29/46/31/384294631.db2.gz ZHLMDULEBUIKFJ-QWRGUYRKSA-N 1 2 247.367 2.592 20 30 BFEDLO C=C(Cl)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000299713414 384344047 /nfs/dbraw/zinc/34/40/47/384344047.db2.gz QUNUCABYXNZCMA-SNVBAGLBSA-N 1 2 210.708 2.827 20 30 BFEDLO C=C(Cl)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000299713414 384344054 /nfs/dbraw/zinc/34/40/54/384344054.db2.gz QUNUCABYXNZCMA-SNVBAGLBSA-N 1 2 210.708 2.827 20 30 BFEDLO C=C(C)C[N@@H+](C)Cc1csc(CC)n1 ZINC000063593629 384326337 /nfs/dbraw/zinc/32/63/37/384326337.db2.gz BNKGLNPYJDXBHS-UHFFFAOYSA-N 1 2 210.346 2.713 20 30 BFEDLO C=C(C)C[N@H+](C)Cc1csc(CC)n1 ZINC000063593629 384326342 /nfs/dbraw/zinc/32/63/42/384326342.db2.gz BNKGLNPYJDXBHS-UHFFFAOYSA-N 1 2 210.346 2.713 20 30 BFEDLO C#CC[N@@H+](CC)Cc1nc(C(C)(C)C)cs1 ZINC000490830090 384420544 /nfs/dbraw/zinc/42/05/44/384420544.db2.gz IIKQRYSENBDHRF-UHFFFAOYSA-N 1 2 236.384 2.896 20 30 BFEDLO C#CC[N@H+](CC)Cc1nc(C(C)(C)C)cs1 ZINC000490830090 384420548 /nfs/dbraw/zinc/42/05/48/384420548.db2.gz IIKQRYSENBDHRF-UHFFFAOYSA-N 1 2 236.384 2.896 20 30 BFEDLO N#CCCCC[N@H+](CCC#N)Cc1ccco1 ZINC000078667043 384457822 /nfs/dbraw/zinc/45/78/22/384457822.db2.gz KQSBGILXEFIKNY-UHFFFAOYSA-N 1 2 231.299 2.689 20 30 BFEDLO N#CCCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000078667043 384457824 /nfs/dbraw/zinc/45/78/24/384457824.db2.gz KQSBGILXEFIKNY-UHFFFAOYSA-N 1 2 231.299 2.689 20 30 BFEDLO C#CC[N@@H+](CC)Cc1nc2ccccc2s1 ZINC000490865288 384443231 /nfs/dbraw/zinc/44/32/31/384443231.db2.gz ACATWGCLPJBKKE-UHFFFAOYSA-N 1 2 230.336 2.751 20 30 BFEDLO C#CC[N@H+](CC)Cc1nc2ccccc2s1 ZINC000490865288 384443232 /nfs/dbraw/zinc/44/32/32/384443232.db2.gz ACATWGCLPJBKKE-UHFFFAOYSA-N 1 2 230.336 2.751 20 30 BFEDLO Cn1cc[nH+]c1CSc1ccccc1C#N ZINC000336022652 384463460 /nfs/dbraw/zinc/46/34/60/384463460.db2.gz BEPWEYHWQNPDJL-UHFFFAOYSA-N 1 2 229.308 2.584 20 30 BFEDLO Cc1cccc(OCC[N@@H+](C)[C@H](C)CC#N)c1 ZINC000097078902 384494439 /nfs/dbraw/zinc/49/44/39/384494439.db2.gz NOYMWHXGGCCNGL-CYBMUJFWSA-N 1 2 232.327 2.608 20 30 BFEDLO Cc1cccc(OCC[N@H+](C)[C@H](C)CC#N)c1 ZINC000097078902 384494442 /nfs/dbraw/zinc/49/44/42/384494442.db2.gz NOYMWHXGGCCNGL-CYBMUJFWSA-N 1 2 232.327 2.608 20 30 BFEDLO Cc1cc[nH+]cc1NCc1ccc(C#N)s1 ZINC000119021174 384536742 /nfs/dbraw/zinc/53/67/42/384536742.db2.gz XYOLRWLUVNEFAF-UHFFFAOYSA-N 1 2 229.308 2.935 20 30 BFEDLO C[C@H]([NH2+]CCC#N)c1ccccc1OC(F)F ZINC000020199712 384596926 /nfs/dbraw/zinc/59/69/26/384596926.db2.gz OJCQSJZUSZDGIE-VIFPVBQESA-N 1 2 240.253 2.852 20 30 BFEDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCCC#N)C2 ZINC000058012057 384747388 /nfs/dbraw/zinc/74/73/88/384747388.db2.gz KGEHLDNUCSJIDE-UHFFFAOYSA-N 1 2 228.295 2.509 20 30 BFEDLO CC(=O)c1ccc2c(c1)C[N@H+](CCCC#N)C2 ZINC000058012057 384747396 /nfs/dbraw/zinc/74/73/96/384747396.db2.gz KGEHLDNUCSJIDE-UHFFFAOYSA-N 1 2 228.295 2.509 20 30 BFEDLO Cc1cc[nH+]cc1NCc1ccc(C#N)cc1 ZINC000071413248 384882687 /nfs/dbraw/zinc/88/26/87/384882687.db2.gz PIAPVQPFHCSJPO-UHFFFAOYSA-N 1 2 223.279 2.874 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cc(C)ccc1F ZINC000127587321 384919323 /nfs/dbraw/zinc/91/93/23/384919323.db2.gz WCZBSUZHVZHXMY-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cc(C)ccc1F ZINC000127587321 384919327 /nfs/dbraw/zinc/91/93/27/384919327.db2.gz WCZBSUZHVZHXMY-UHFFFAOYSA-N 1 2 220.291 2.870 20 30 BFEDLO N#Cc1cccc(NCc2c[nH+]c3ccccn23)c1 ZINC000179550338 384964892 /nfs/dbraw/zinc/96/48/92/384964892.db2.gz NTTAGXJJHPYIOY-UHFFFAOYSA-N 1 2 248.289 2.818 20 30 BFEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000179565577 384968549 /nfs/dbraw/zinc/96/85/49/384968549.db2.gz FYLSEFMKYZUPOL-NSHDSACASA-N 1 2 241.294 2.530 20 30 BFEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000179565577 384968557 /nfs/dbraw/zinc/96/85/57/384968557.db2.gz FYLSEFMKYZUPOL-NSHDSACASA-N 1 2 241.294 2.530 20 30 BFEDLO C=CC[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000302150333 384974017 /nfs/dbraw/zinc/97/40/17/384974017.db2.gz SZWYFRNPHZONNN-GFCCVEGCSA-N 1 2 228.295 2.584 20 30 BFEDLO C[C@@H](CC#N)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156918062 385018768 /nfs/dbraw/zinc/01/87/68/385018768.db2.gz YCFFWFZHUXRTBU-LBPRGKRZSA-N 1 2 246.741 2.925 20 30 BFEDLO C[C@@H](CC#N)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156918062 385018778 /nfs/dbraw/zinc/01/87/78/385018778.db2.gz YCFFWFZHUXRTBU-LBPRGKRZSA-N 1 2 246.741 2.925 20 30 BFEDLO C=C(C)C(C)(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000644636252 385037101 /nfs/dbraw/zinc/03/71/01/385037101.db2.gz WGNFCNNSEKONHL-UHFFFAOYSA-N 1 2 243.310 2.875 20 30 BFEDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccccc1C#N ZINC000340884708 385207017 /nfs/dbraw/zinc/20/70/17/385207017.db2.gz NJSUYGIHHSHIKG-OAHLLOKOSA-N 1 2 244.338 2.559 20 30 BFEDLO CC[C@]1(C)COCC[N@H+]1Cc1ccccc1C#N ZINC000340884708 385207023 /nfs/dbraw/zinc/20/70/23/385207023.db2.gz NJSUYGIHHSHIKG-OAHLLOKOSA-N 1 2 244.338 2.559 20 30 BFEDLO CC(C)SCC[N@H+](CC#N)C1CCCC1 ZINC000308840158 385213869 /nfs/dbraw/zinc/21/38/69/385213869.db2.gz YHRHBBVGJQDDRM-UHFFFAOYSA-N 1 2 226.389 2.896 20 30 BFEDLO CC(C)SCC[N@@H+](CC#N)C1CCCC1 ZINC000308840158 385213874 /nfs/dbraw/zinc/21/38/74/385213874.db2.gz YHRHBBVGJQDDRM-UHFFFAOYSA-N 1 2 226.389 2.896 20 30 BFEDLO COc1ccc(O)c(/C=[NH+]/CCCCC#N)c1 ZINC000171417195 385482487 /nfs/dbraw/zinc/48/24/87/385482487.db2.gz SDQFDKRIYLXZCH-XNTDXEJSSA-N 1 2 232.283 2.514 20 30 BFEDLO C#CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000491703869 385570724 /nfs/dbraw/zinc/57/07/24/385570724.db2.gz STOLPGYQGGISFD-CYBMUJFWSA-N 1 2 221.250 2.735 20 30 BFEDLO C#CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000491703869 385570725 /nfs/dbraw/zinc/57/07/25/385570725.db2.gz STOLPGYQGGISFD-CYBMUJFWSA-N 1 2 221.250 2.735 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1c(F)cccc1Cl ZINC000054179928 385597122 /nfs/dbraw/zinc/59/71/22/385597122.db2.gz CGOJZOHZPYMXPQ-QMMMGPOBSA-N 1 2 226.682 2.728 20 30 BFEDLO CC[N@H+](C[C@H]1CCC(F)(F)C1)[C@H](C)C#N ZINC000595821736 385640715 /nfs/dbraw/zinc/64/07/15/385640715.db2.gz ZZDNMRSXUITYPB-ZJUUUORDSA-N 1 2 216.275 2.656 20 30 BFEDLO CC[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H](C)C#N ZINC000595821736 385640722 /nfs/dbraw/zinc/64/07/22/385640722.db2.gz ZZDNMRSXUITYPB-ZJUUUORDSA-N 1 2 216.275 2.656 20 30 BFEDLO CC#CCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000463259156 385709148 /nfs/dbraw/zinc/70/91/48/385709148.db2.gz OQXNHRAGALUCJW-UHFFFAOYSA-N 1 2 241.290 2.954 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000161075744 385919690 /nfs/dbraw/zinc/91/96/90/385919690.db2.gz VQWQVLXRBBEGHC-UHFFFAOYSA-N 1 2 249.745 2.898 20 30 BFEDLO N#Cc1ccc(CNc2cc[nH+]cc2F)s1 ZINC000309514043 386031976 /nfs/dbraw/zinc/03/19/76/386031976.db2.gz QQTMWTJXWFYLNL-UHFFFAOYSA-N 1 2 233.271 2.766 20 30 BFEDLO C=C1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000264465016 386239800 /nfs/dbraw/zinc/23/98/00/386239800.db2.gz LMMRTYCZIYILJP-UHFFFAOYSA-N 1 2 222.719 2.887 20 30 BFEDLO C=CCOCC[N@@H+](C)Cc1c(F)cccc1F ZINC000339598926 386482518 /nfs/dbraw/zinc/48/25/18/386482518.db2.gz TZLPHUFZJMWAGK-UHFFFAOYSA-N 1 2 241.281 2.599 20 30 BFEDLO C=CCOCC[N@H+](C)Cc1c(F)cccc1F ZINC000339598926 386482524 /nfs/dbraw/zinc/48/25/24/386482524.db2.gz TZLPHUFZJMWAGK-UHFFFAOYSA-N 1 2 241.281 2.599 20 30 BFEDLO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC#N)C2)cc1 ZINC000278410879 386523491 /nfs/dbraw/zinc/52/34/91/386523491.db2.gz HMTRLYOJJJDNJS-TZMCWYRMSA-N 1 2 214.312 2.696 20 30 BFEDLO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC#N)C2)cc1 ZINC000278410879 386523496 /nfs/dbraw/zinc/52/34/96/386523496.db2.gz HMTRLYOJJJDNJS-TZMCWYRMSA-N 1 2 214.312 2.696 20 30 BFEDLO C=CC[N@H+](Cc1cocn1)Cc1ccccc1 ZINC000191929475 386719565 /nfs/dbraw/zinc/71/95/65/386719565.db2.gz DGOPYLGWZRZTAX-UHFFFAOYSA-N 1 2 228.295 2.863 20 30 BFEDLO C=CC[N@@H+](Cc1cocn1)Cc1ccccc1 ZINC000191929475 386719576 /nfs/dbraw/zinc/71/95/76/386719576.db2.gz DGOPYLGWZRZTAX-UHFFFAOYSA-N 1 2 228.295 2.863 20 30 BFEDLO C=C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000334782280 386838408 /nfs/dbraw/zinc/83/84/08/386838408.db2.gz RPNNGPVPZSPVNG-UHFFFAOYSA-N 1 2 222.719 2.887 20 30 BFEDLO CC(C)n1c[nH+]cc1CN(C[C@H](C)C#N)C1CC1 ZINC000425341031 386842659 /nfs/dbraw/zinc/84/26/59/386842659.db2.gz WTJJDLARCNWEIG-GFCCVEGCSA-N 1 2 246.358 2.588 20 30 BFEDLO Cc1cc(NC[C@H]2CCC[C@H]2C)c(C#N)c[nH+]1 ZINC000399514113 386930125 /nfs/dbraw/zinc/93/01/25/386930125.db2.gz OPQCBIUTDFCKKZ-ZYHUDNBSSA-N 1 2 229.327 2.532 20 30 BFEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456419748 386930733 /nfs/dbraw/zinc/93/07/33/386930733.db2.gz MAYLNOKWLOMDLD-WDEREUQCSA-N 1 2 247.342 2.607 20 30 BFEDLO Cc1cc(N[C@@H]2CCC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399519962 386955060 /nfs/dbraw/zinc/95/50/60/386955060.db2.gz QJAARMVLYLAHRT-GXFFZTMASA-N 1 2 229.327 2.674 20 30 BFEDLO C=CCC(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000399478055 386963830 /nfs/dbraw/zinc/96/38/30/386963830.db2.gz DEZQFIIISNCHJZ-UHFFFAOYSA-N 1 2 229.327 2.698 20 30 BFEDLO Cc1cc(NC[C@@H]2CC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399532207 386968768 /nfs/dbraw/zinc/96/87/68/386968768.db2.gz VCUYDPBCLDRYMI-ZYHUDNBSSA-N 1 2 229.327 2.532 20 30 BFEDLO CSCCCCCNc1cc(C)[nH+]cc1C#N ZINC000399556051 387003035 /nfs/dbraw/zinc/00/30/35/387003035.db2.gz CXVAAFRCHVORKN-UHFFFAOYSA-N 1 2 249.383 2.629 20 30 BFEDLO Cc1cc(N[C@H]2C[C@H]2c2ccccc2)c(C#N)c[nH+]1 ZINC000399604563 387036115 /nfs/dbraw/zinc/03/61/15/387036115.db2.gz WGIABNYGVXEYFL-HOCLYGCPSA-N 1 2 249.317 2.652 20 30 BFEDLO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)CC1(F)F ZINC000334936569 387013094 /nfs/dbraw/zinc/01/30/94/387013094.db2.gz NSDFFEQZAZZQPF-SNVBAGLBSA-N 1 2 230.302 2.903 20 30 BFEDLO C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)CC1(F)F ZINC000334936569 387013097 /nfs/dbraw/zinc/01/30/97/387013097.db2.gz NSDFFEQZAZZQPF-SNVBAGLBSA-N 1 2 230.302 2.903 20 30 BFEDLO CC1(C#N)C[NH+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000334950468 387114610 /nfs/dbraw/zinc/11/46/10/387114610.db2.gz FVSGCIZPSVAATH-KGLIPLIRSA-N 1 2 226.323 2.636 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186662590 387120217 /nfs/dbraw/zinc/12/02/17/387120217.db2.gz KPPXJPBCDPXCRJ-CQSZACIVSA-N 1 2 249.741 2.870 20 30 BFEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186662590 387120223 /nfs/dbraw/zinc/12/02/23/387120223.db2.gz KPPXJPBCDPXCRJ-CQSZACIVSA-N 1 2 249.741 2.870 20 30 BFEDLO N#CC1(C[NH2+]Cc2ncc(Cl)s2)CCC1 ZINC000418145901 387169057 /nfs/dbraw/zinc/16/90/57/387169057.db2.gz ZHUUKMUSLCMBEI-UHFFFAOYSA-N 1 2 241.747 2.580 20 30 BFEDLO C[C@H](C#N)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000390517817 387330659 /nfs/dbraw/zinc/33/06/59/387330659.db2.gz DMOYAVAPKBJUGN-SECBINFHSA-N 1 2 235.356 2.660 20 30 BFEDLO Cc1cc(F)c(C[NH2+]CC2(C#N)CC2)c(F)c1 ZINC000572358299 387343981 /nfs/dbraw/zinc/34/39/81/387343981.db2.gz LYBVTZIXCGFXKA-UHFFFAOYSA-N 1 2 236.265 2.667 20 30 BFEDLO C=C1CC[NH+](Cc2nc(CCCC)no2)CC1 ZINC000264490202 387390881 /nfs/dbraw/zinc/39/08/81/387390881.db2.gz SLEFZAFFEWLAFQ-UHFFFAOYSA-N 1 2 235.331 2.564 20 30 BFEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccoc2)n1 ZINC000267284303 387408969 /nfs/dbraw/zinc/40/89/69/387408969.db2.gz IMLFDOZELKSRBK-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C#CC[N@H+](CC)Cc1csc(-c2ccoc2)n1 ZINC000267284303 387408978 /nfs/dbraw/zinc/40/89/78/387408978.db2.gz IMLFDOZELKSRBK-UHFFFAOYSA-N 1 2 246.335 2.858 20 30 BFEDLO C[C@@H](CCCC#N)[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001172491941 974839597 /nfs/dbraw/zinc/83/95/97/974839597.db2.gz IIPHUVUCHVIKIJ-WDEREUQCSA-N 1 2 248.292 2.995 20 30 BFEDLO C[C@@H](CCCC#N)[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001172491941 974839599 /nfs/dbraw/zinc/83/95/99/974839599.db2.gz IIPHUVUCHVIKIJ-WDEREUQCSA-N 1 2 248.292 2.995 20 30 BFEDLO CC(C)OCCC[N@H+](CC#N)C1CCCC1 ZINC000151122239 387801744 /nfs/dbraw/zinc/80/17/44/387801744.db2.gz FFUYYTBUOJGODB-UHFFFAOYSA-N 1 2 224.348 2.570 20 30 BFEDLO CC(C)OCCC[N@@H+](CC#N)C1CCCC1 ZINC000151122239 387801753 /nfs/dbraw/zinc/80/17/53/387801753.db2.gz FFUYYTBUOJGODB-UHFFFAOYSA-N 1 2 224.348 2.570 20 30 BFEDLO C=CC1CC[NH+](Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000432817559 387828246 /nfs/dbraw/zinc/82/82/46/387828246.db2.gz FSPCJYRTRYZVTN-UHFFFAOYSA-N 1 2 248.374 2.500 20 30 BFEDLO CC(C)OCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444725387 387917811 /nfs/dbraw/zinc/91/78/11/387917811.db2.gz GQSLKVSCINNQQQ-CYBMUJFWSA-N 1 2 238.375 2.816 20 30 BFEDLO CC(C)OCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444725387 387917813 /nfs/dbraw/zinc/91/78/13/387917813.db2.gz GQSLKVSCINNQQQ-CYBMUJFWSA-N 1 2 238.375 2.816 20 30 BFEDLO C=C(C)C[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000174248974 387903880 /nfs/dbraw/zinc/90/38/80/387903880.db2.gz WOZYZYAMKLEAGS-UHFFFAOYSA-N 1 2 247.342 2.882 20 30 BFEDLO C=CCCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000448006637 388108992 /nfs/dbraw/zinc/10/89/92/388108992.db2.gz CZPMJFVEUTUOMT-UHFFFAOYSA-N 1 2 233.315 2.786 20 30 BFEDLO C[C@@H](c1cccnc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450630902 388049559 /nfs/dbraw/zinc/04/95/59/388049559.db2.gz VJHAXFAPHRDQLA-LBPRGKRZSA-N 1 2 229.327 2.768 20 30 BFEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450630902 388049564 /nfs/dbraw/zinc/04/95/64/388049564.db2.gz VJHAXFAPHRDQLA-LBPRGKRZSA-N 1 2 229.327 2.768 20 30 BFEDLO CC[N@@H+](Cc1ccc(C)cc1OC)C[C@@H](C)C#N ZINC000449013183 388129448 /nfs/dbraw/zinc/12/94/48/388129448.db2.gz BIFSUDNYHQTGRO-ZDUSSCGKSA-N 1 2 246.354 2.985 20 30 BFEDLO CC[N@H+](Cc1ccc(C)cc1OC)C[C@@H](C)C#N ZINC000449013183 388129451 /nfs/dbraw/zinc/12/94/51/388129451.db2.gz BIFSUDNYHQTGRO-ZDUSSCGKSA-N 1 2 246.354 2.985 20 30 BFEDLO C=C[C@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000590765354 388130062 /nfs/dbraw/zinc/13/00/62/388130062.db2.gz OFIGTKYEFVEQLQ-VOAKCMCISA-N 1 2 239.359 2.518 20 30 BFEDLO C#CC[N@@H+](CC)Cc1ncc(C(C)C)s1 ZINC000490932984 388258297 /nfs/dbraw/zinc/25/82/97/388258297.db2.gz BUTHVBSNKIFDGS-UHFFFAOYSA-N 1 2 222.357 2.722 20 30 BFEDLO C#CC[N@H+](CC)Cc1ncc(C(C)C)s1 ZINC000490932984 388258300 /nfs/dbraw/zinc/25/83/00/388258300.db2.gz BUTHVBSNKIFDGS-UHFFFAOYSA-N 1 2 222.357 2.722 20 30 BFEDLO C=CCC(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456354766 388196814 /nfs/dbraw/zinc/19/68/14/388196814.db2.gz NUPXSLQUTKDPIG-NSHDSACASA-N 1 2 249.358 2.683 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456440976 388202234 /nfs/dbraw/zinc/20/22/34/388202234.db2.gz YURUTQXXSYUUGH-SDDRHHMPSA-N 1 2 247.342 2.607 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000489446869 388215488 /nfs/dbraw/zinc/21/54/88/388215488.db2.gz OZEVKGSCFLGVGB-NSHDSACASA-N 1 2 235.331 2.734 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000489446869 388215490 /nfs/dbraw/zinc/21/54/90/388215490.db2.gz OZEVKGSCFLGVGB-NSHDSACASA-N 1 2 235.331 2.734 20 30 BFEDLO C=CCC(C)(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456832911 388226465 /nfs/dbraw/zinc/22/64/65/388226465.db2.gz FQKYCHRPRKWMSF-UHFFFAOYSA-N 1 2 246.354 2.917 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000491620786 388305525 /nfs/dbraw/zinc/30/55/25/388305525.db2.gz GHUQZEJKRDHRJY-SNVBAGLBSA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000491620786 388305526 /nfs/dbraw/zinc/30/55/26/388305526.db2.gz GHUQZEJKRDHRJY-SNVBAGLBSA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000491620784 388305573 /nfs/dbraw/zinc/30/55/73/388305573.db2.gz GHUQZEJKRDHRJY-JTQLQIEISA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000491620784 388305574 /nfs/dbraw/zinc/30/55/74/388305574.db2.gz GHUQZEJKRDHRJY-JTQLQIEISA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(C(C)C)s1 ZINC000491628697 388306267 /nfs/dbraw/zinc/30/62/67/388306267.db2.gz NVQRTSGFZAKMPO-SNVBAGLBSA-N 1 2 222.357 2.720 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000491628697 388306268 /nfs/dbraw/zinc/30/62/68/388306268.db2.gz NVQRTSGFZAKMPO-SNVBAGLBSA-N 1 2 222.357 2.720 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000491707411 388313614 /nfs/dbraw/zinc/31/36/14/388313614.db2.gz NMHFYWUSEIVAPQ-JTQLQIEISA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000491707411 388313615 /nfs/dbraw/zinc/31/36/15/388313615.db2.gz NMHFYWUSEIVAPQ-JTQLQIEISA-N 1 2 246.335 2.857 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1conc1C)c1ccc(F)cc1 ZINC000491178772 388275306 /nfs/dbraw/zinc/27/53/06/388275306.db2.gz BFTOLHNKDQEFSE-CQSZACIVSA-N 1 2 244.269 2.586 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000491191117 388275435 /nfs/dbraw/zinc/27/54/35/388275435.db2.gz AGFBUWWJXCDARJ-MRVPVSSYSA-N 1 2 243.137 2.842 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000491191117 388275439 /nfs/dbraw/zinc/27/54/39/388275439.db2.gz AGFBUWWJXCDARJ-MRVPVSSYSA-N 1 2 243.137 2.842 20 30 BFEDLO C#C[C@@H](CCC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000491191961 388276029 /nfs/dbraw/zinc/27/60/29/388276029.db2.gz JPNFVMZCLNBNDP-LBPRGKRZSA-N 1 2 245.326 2.622 20 30 BFEDLO C#CC[N@@H+](CC)Cc1nc2ccc(F)cc2s1 ZINC000491243443 388278978 /nfs/dbraw/zinc/27/89/78/388278978.db2.gz XGDHQMCDTZPGPR-UHFFFAOYSA-N 1 2 248.326 2.891 20 30 BFEDLO C#CC[N@H+](CC)Cc1nc2ccc(F)cc2s1 ZINC000491243443 388278979 /nfs/dbraw/zinc/27/89/79/388278979.db2.gz XGDHQMCDTZPGPR-UHFFFAOYSA-N 1 2 248.326 2.891 20 30 BFEDLO C=CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000519407665 256648514 /nfs/dbraw/zinc/64/85/14/256648514.db2.gz USPBWRBDYLPUSC-CHWSQXEVSA-N 1 2 249.358 2.695 20 30 BFEDLO CC(C)(C#N)C[NH2+]Cc1ccccc1Cl ZINC000164696149 388397452 /nfs/dbraw/zinc/39/74/52/388397452.db2.gz ULIRAFYENZYPHP-UHFFFAOYSA-N 1 2 222.719 2.979 20 30 BFEDLO COCC[N@H+](CC#N)CC1CCC(C)(C)CC1 ZINC000317026988 388425941 /nfs/dbraw/zinc/42/59/41/388425941.db2.gz SFLITTRJRGKZFO-UHFFFAOYSA-N 1 2 238.375 2.675 20 30 BFEDLO COCC[N@@H+](CC#N)CC1CCC(C)(C)CC1 ZINC000317026988 388425943 /nfs/dbraw/zinc/42/59/43/388425943.db2.gz SFLITTRJRGKZFO-UHFFFAOYSA-N 1 2 238.375 2.675 20 30 BFEDLO N#CCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528574234 388548078 /nfs/dbraw/zinc/54/80/78/388548078.db2.gz PLUBAYHEJICONT-UHFFFAOYSA-N 1 2 248.301 2.583 20 30 BFEDLO N#Cc1csc(C[N@@H+]2CCCC3(CCC3)C2)n1 ZINC000356401415 388607160 /nfs/dbraw/zinc/60/71/60/388607160.db2.gz WMHUDQQMJHXXDU-UHFFFAOYSA-N 1 2 247.367 2.781 20 30 BFEDLO N#Cc1csc(C[N@H+]2CCCC3(CCC3)C2)n1 ZINC000356401415 388607161 /nfs/dbraw/zinc/60/71/61/388607161.db2.gz WMHUDQQMJHXXDU-UHFFFAOYSA-N 1 2 247.367 2.781 20 30 BFEDLO C[C@@H](C#N)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080509192 388559171 /nfs/dbraw/zinc/55/91/71/388559171.db2.gz PKEAERVAECJOQB-NSHDSACASA-N 1 2 244.338 2.649 20 30 BFEDLO C=CCCC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000183445101 388569727 /nfs/dbraw/zinc/56/97/27/388569727.db2.gz LQOZSRJUVKRBIO-SNVBAGLBSA-N 1 2 245.330 2.520 20 30 BFEDLO CCn1c[nH+]cc1CNc1cccc(C#N)c1C ZINC000417975287 388675208 /nfs/dbraw/zinc/67/52/08/388675208.db2.gz DQRAUATXDWKKAX-UHFFFAOYSA-N 1 2 240.310 2.695 20 30 BFEDLO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(F)F ZINC000449361095 388747600 /nfs/dbraw/zinc/74/76/00/388747600.db2.gz KNISGVGMNGHWLO-LLVKDONJSA-N 1 2 224.254 2.692 20 30 BFEDLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C#N)cs1 ZINC000091937908 388732185 /nfs/dbraw/zinc/73/21/85/388732185.db2.gz AXRCEUDRFPGNGD-AOOOYVTPSA-N 1 2 220.341 2.993 20 30 BFEDLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C#N)cs1 ZINC000091937908 388732188 /nfs/dbraw/zinc/73/21/88/388732188.db2.gz AXRCEUDRFPGNGD-AOOOYVTPSA-N 1 2 220.341 2.993 20 30 BFEDLO CC1(C[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000555596672 388855251 /nfs/dbraw/zinc/85/52/51/388855251.db2.gz YVJUZIBVCILYHA-UHFFFAOYSA-N 1 2 218.300 2.795 20 30 BFEDLO CC1(C[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000555596672 388855254 /nfs/dbraw/zinc/85/52/54/388855254.db2.gz YVJUZIBVCILYHA-UHFFFAOYSA-N 1 2 218.300 2.795 20 30 BFEDLO CCCOc1cc(C)ccc1C[NH2+]CCC#N ZINC000566113041 388988228 /nfs/dbraw/zinc/98/82/28/388988228.db2.gz VCMRUIVGKSAZEY-UHFFFAOYSA-N 1 2 232.327 2.787 20 30 BFEDLO N#CCC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000335960745 134026297 /nfs/dbraw/zinc/02/62/97/134026297.db2.gz KWGNDXHEGXPMFK-UHFFFAOYSA-N 1 2 230.286 2.828 20 30 BFEDLO N#CCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000335960745 134026298 /nfs/dbraw/zinc/02/62/98/134026298.db2.gz KWGNDXHEGXPMFK-UHFFFAOYSA-N 1 2 230.286 2.828 20 30 BFEDLO N#Cc1cccnc1/C=C\c1cccc2[nH+]ccn21 ZINC000352019943 134037202 /nfs/dbraw/zinc/03/72/02/134037202.db2.gz DOEKSJAZZFMXDB-SREVYHEPSA-N 1 2 246.273 2.771 20 30 BFEDLO Cc1ncc(C[N@@H+](CCC#N)CCC(C)C)cn1 ZINC000352024744 134041765 /nfs/dbraw/zinc/04/17/65/134041765.db2.gz IPZFKNQUBXGVIQ-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO Cc1ncc(C[N@H+](CCC#N)CCC(C)C)cn1 ZINC000352024744 134041766 /nfs/dbraw/zinc/04/17/66/134041766.db2.gz IPZFKNQUBXGVIQ-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO C[C@H](C#N)C[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000352090460 134061373 /nfs/dbraw/zinc/06/13/73/134061373.db2.gz AJXCRIWWCIWEGK-VSQXVHSFSA-N 1 2 232.302 2.930 20 30 BFEDLO C[C@H](C#N)C[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000352090460 134061374 /nfs/dbraw/zinc/06/13/74/134061374.db2.gz AJXCRIWWCIWEGK-VSQXVHSFSA-N 1 2 232.302 2.930 20 30 BFEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1F ZINC000352091471 134061376 /nfs/dbraw/zinc/06/13/76/134061376.db2.gz KEGULLPVYUUBRB-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1F ZINC000352091471 134061377 /nfs/dbraw/zinc/06/13/77/134061377.db2.gz KEGULLPVYUUBRB-SNVBAGLBSA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1F ZINC000352091470 134061734 /nfs/dbraw/zinc/06/17/34/134061734.db2.gz KEGULLPVYUUBRB-JTQLQIEISA-N 1 2 220.291 2.726 20 30 BFEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1F ZINC000352091470 134061735 /nfs/dbraw/zinc/06/17/35/134061735.db2.gz KEGULLPVYUUBRB-JTQLQIEISA-N 1 2 220.291 2.726 20 30 BFEDLO N#CCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000336331738 134143599 /nfs/dbraw/zinc/14/35/99/134143599.db2.gz LGAOUISBJCJXLD-SNVBAGLBSA-N 1 2 236.265 2.668 20 30 BFEDLO N#CCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000336331738 134143600 /nfs/dbraw/zinc/14/36/00/134143600.db2.gz LGAOUISBJCJXLD-SNVBAGLBSA-N 1 2 236.265 2.668 20 30 BFEDLO C=C(C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000302059615 134157205 /nfs/dbraw/zinc/15/72/05/134157205.db2.gz BEOFFEHAAPBDSW-UHFFFAOYSA-N 1 2 231.343 2.676 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000354025339 134166271 /nfs/dbraw/zinc/16/62/71/134166271.db2.gz CBKSUSGFVPERNL-SNVBAGLBSA-N 1 2 245.351 2.744 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000354025339 134166272 /nfs/dbraw/zinc/16/62/72/134166272.db2.gz CBKSUSGFVPERNL-SNVBAGLBSA-N 1 2 245.351 2.744 20 30 BFEDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCC#N ZINC000359586229 134195973 /nfs/dbraw/zinc/19/59/73/134195973.db2.gz UGVLWOYWIVLJTB-CQSZACIVSA-N 1 2 243.354 2.501 20 30 BFEDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCC#N ZINC000359586229 134195974 /nfs/dbraw/zinc/19/59/74/134195974.db2.gz UGVLWOYWIVLJTB-CQSZACIVSA-N 1 2 243.354 2.501 20 30 BFEDLO Cc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c(C)n1 ZINC000360128745 134198563 /nfs/dbraw/zinc/19/85/63/134198563.db2.gz ASAQCNRRKQOAFJ-NSHDSACASA-N 1 2 243.354 2.823 20 30 BFEDLO Cc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(C)n1 ZINC000360128745 134198564 /nfs/dbraw/zinc/19/85/64/134198564.db2.gz ASAQCNRRKQOAFJ-NSHDSACASA-N 1 2 243.354 2.823 20 30 BFEDLO CC#CCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361506608 134205901 /nfs/dbraw/zinc/20/59/01/134205901.db2.gz KZHANHQAILVTMG-UHFFFAOYSA-N 1 2 238.334 2.870 20 30 BFEDLO CC#CCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361506608 134205902 /nfs/dbraw/zinc/20/59/02/134205902.db2.gz KZHANHQAILVTMG-UHFFFAOYSA-N 1 2 238.334 2.870 20 30 BFEDLO C[N@H+](CC#Cc1ccccc1)Cc1ccoc1 ZINC000361692526 134207290 /nfs/dbraw/zinc/20/72/90/134207290.db2.gz LMYKMHAJTQEGAC-UHFFFAOYSA-N 1 2 225.291 2.763 20 30 BFEDLO C[N@@H+](CC#Cc1ccccc1)Cc1ccoc1 ZINC000361692526 134207291 /nfs/dbraw/zinc/20/72/91/134207291.db2.gz LMYKMHAJTQEGAC-UHFFFAOYSA-N 1 2 225.291 2.763 20 30 BFEDLO C[C@H](C#N)C[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000361859728 134207650 /nfs/dbraw/zinc/20/76/50/134207650.db2.gz GQFGHSFCNFOQDC-CQSZACIVSA-N 1 2 238.334 2.662 20 30 BFEDLO C[C@H](C#N)C[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC000361859728 134207651 /nfs/dbraw/zinc/20/76/51/134207651.db2.gz GQFGHSFCNFOQDC-CQSZACIVSA-N 1 2 238.334 2.662 20 30 BFEDLO C=C(C)C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000120372011 134229218 /nfs/dbraw/zinc/22/92/18/134229218.db2.gz PFUHPRUPEVQMNE-NSHDSACASA-N 1 2 227.348 2.518 20 30 BFEDLO N#CCCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000121118510 134231725 /nfs/dbraw/zinc/23/17/25/134231725.db2.gz WQICAQNXKJNUFV-UHFFFAOYSA-N 1 2 236.265 2.627 20 30 BFEDLO N#CCCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000121118510 134231726 /nfs/dbraw/zinc/23/17/26/134231726.db2.gz WQICAQNXKJNUFV-UHFFFAOYSA-N 1 2 236.265 2.627 20 30 BFEDLO C#CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000372861648 134232758 /nfs/dbraw/zinc/23/27/58/134232758.db2.gz XGPGUJBKHVDKTH-OAHLLOKOSA-N 1 2 247.313 2.531 20 30 BFEDLO C#CCC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000372861648 134232759 /nfs/dbraw/zinc/23/27/59/134232759.db2.gz XGPGUJBKHVDKTH-OAHLLOKOSA-N 1 2 247.313 2.531 20 30 BFEDLO C=CCN(CC=C)C(=O)Nc1cc[nH+]cc1C ZINC000121752827 134235072 /nfs/dbraw/zinc/23/50/72/134235072.db2.gz LZBBJZTULZDDBL-UHFFFAOYSA-N 1 2 231.299 2.596 20 30 BFEDLO CCC[N@@H+](CC#N)CCCOc1ccccc1C ZINC000123049967 134242424 /nfs/dbraw/zinc/24/24/24/134242424.db2.gz HKNXJEOHXDDRPT-UHFFFAOYSA-N 1 2 246.354 3.000 20 30 BFEDLO CCC[N@H+](CC#N)CCCOc1ccccc1C ZINC000123049967 134242425 /nfs/dbraw/zinc/24/24/25/134242425.db2.gz HKNXJEOHXDDRPT-UHFFFAOYSA-N 1 2 246.354 3.000 20 30 BFEDLO CC[C@@H](C)[N@H+](CC#N)Cc1ccccc1 ZINC000052658577 134384922 /nfs/dbraw/zinc/38/49/22/134384922.db2.gz PZKZYBZVQWCUAN-GFCCVEGCSA-N 1 2 202.301 2.811 20 30 BFEDLO CC[C@@H](C)[N@@H+](CC#N)Cc1ccccc1 ZINC000052658577 134384924 /nfs/dbraw/zinc/38/49/24/134384924.db2.gz PZKZYBZVQWCUAN-GFCCVEGCSA-N 1 2 202.301 2.811 20 30 BFEDLO CC[C@H]1c2ccsc2CC[N@H+]1CCC#N ZINC000052806873 134385719 /nfs/dbraw/zinc/38/57/19/134385719.db2.gz UZIJSXQMDCZEDO-NSHDSACASA-N 1 2 220.341 2.971 20 30 BFEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CCC#N ZINC000052806873 134385721 /nfs/dbraw/zinc/38/57/21/134385721.db2.gz UZIJSXQMDCZEDO-NSHDSACASA-N 1 2 220.341 2.971 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000068612216 134398306 /nfs/dbraw/zinc/39/83/06/134398306.db2.gz AISZXHUFEIBTFN-ZJUUUORDSA-N 1 2 233.271 2.548 20 30 BFEDLO C[C@H](CC#N)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000068612226 134398505 /nfs/dbraw/zinc/39/85/05/134398505.db2.gz AISZXHUFEIBTFN-NXEZZACHSA-N 1 2 233.271 2.548 20 30 BFEDLO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC#N)C1 ZINC000076386258 135032893 /nfs/dbraw/zinc/03/28/93/135032893.db2.gz VJLORTPDTCQBKO-QWHCGFSZSA-N 1 2 214.312 2.696 20 30 BFEDLO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC#N)C1 ZINC000076386258 135032896 /nfs/dbraw/zinc/03/28/96/135032896.db2.gz VJLORTPDTCQBKO-QWHCGFSZSA-N 1 2 214.312 2.696 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000338371120 135035374 /nfs/dbraw/zinc/03/53/74/135035374.db2.gz GBYHJTOJBSOWGA-NSHDSACASA-N 1 2 232.302 2.950 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000338371120 135035375 /nfs/dbraw/zinc/03/53/75/135035375.db2.gz GBYHJTOJBSOWGA-NSHDSACASA-N 1 2 232.302 2.950 20 30 BFEDLO C[C@H](C#N)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000338362134 135036500 /nfs/dbraw/zinc/03/65/00/135036500.db2.gz ZCFHHDOVAWOKMX-GFCCVEGCSA-N 1 2 239.322 2.682 20 30 BFEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000338362134 135036501 /nfs/dbraw/zinc/03/65/01/135036501.db2.gz ZCFHHDOVAWOKMX-GFCCVEGCSA-N 1 2 239.322 2.682 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000251136534 135093528 /nfs/dbraw/zinc/09/35/28/135093528.db2.gz VLWJIWVPPGGPNP-WDEREUQCSA-N 1 2 220.291 2.978 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000251136534 135093529 /nfs/dbraw/zinc/09/35/29/135093529.db2.gz VLWJIWVPPGGPNP-WDEREUQCSA-N 1 2 220.291 2.978 20 30 BFEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCC#N ZINC000078486627 135128222 /nfs/dbraw/zinc/12/82/22/135128222.db2.gz BUEZAFTZDBSXRP-VIFPVBQESA-N 1 2 224.254 2.871 20 30 BFEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC#N ZINC000078486627 135128223 /nfs/dbraw/zinc/12/82/23/135128223.db2.gz BUEZAFTZDBSXRP-VIFPVBQESA-N 1 2 224.254 2.871 20 30 BFEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCC#N ZINC000078486628 135128347 /nfs/dbraw/zinc/12/83/47/135128347.db2.gz BUEZAFTZDBSXRP-SECBINFHSA-N 1 2 224.254 2.871 20 30 BFEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC#N ZINC000078486628 135128349 /nfs/dbraw/zinc/12/83/49/135128349.db2.gz BUEZAFTZDBSXRP-SECBINFHSA-N 1 2 224.254 2.871 20 30 BFEDLO C[N@H+](Cc1ccc(F)c(F)c1)CC1(C#N)CC1 ZINC000258901663 135135326 /nfs/dbraw/zinc/13/53/26/135135326.db2.gz LDLCGVDXUCJWMI-UHFFFAOYSA-N 1 2 236.265 2.700 20 30 BFEDLO C[N@@H+](Cc1ccc(F)c(F)c1)CC1(C#N)CC1 ZINC000258901663 135135328 /nfs/dbraw/zinc/13/53/28/135135328.db2.gz LDLCGVDXUCJWMI-UHFFFAOYSA-N 1 2 236.265 2.700 20 30 BFEDLO COc1cccc(/C=[NH+]/C2CC(C)C2)c1O ZINC000267582023 135156072 /nfs/dbraw/zinc/15/60/72/135156072.db2.gz BRTLIKBUTPDPLU-RIYZIHGNSA-N 1 2 219.284 2.618 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCOC2(CCC2)C1 ZINC000269024382 135164687 /nfs/dbraw/zinc/16/46/87/135164687.db2.gz JQBRYLUTCGUUSV-KWWJGWKXSA-N 1 2 245.322 2.913 20 30 BFEDLO Cc1cc(C[N@H+](CCC#N)CC(C)(C)C)ncn1 ZINC000292401804 135175765 /nfs/dbraw/zinc/17/57/65/135175765.db2.gz JOPVQLJSAPAJKG-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)(C)C)ncn1 ZINC000292401804 135175767 /nfs/dbraw/zinc/17/57/67/135175767.db2.gz JOPVQLJSAPAJKG-UHFFFAOYSA-N 1 2 246.358 2.547 20 30 BFEDLO CC(=O)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000296829800 135193780 /nfs/dbraw/zinc/19/37/80/135193780.db2.gz RQLFEVYEWAOFKQ-NSHDSACASA-N 1 2 230.311 2.623 20 30 BFEDLO CC(=O)c1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000296829800 135193782 /nfs/dbraw/zinc/19/37/82/135193782.db2.gz RQLFEVYEWAOFKQ-NSHDSACASA-N 1 2 230.311 2.623 20 30 BFEDLO CC1(C#N)C[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000297545562 135195802 /nfs/dbraw/zinc/19/58/02/135195802.db2.gz YYMWUZVMHTULCK-UHFFFAOYSA-N 1 2 225.295 2.513 20 30 BFEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cccnc1 ZINC000340601195 135199253 /nfs/dbraw/zinc/19/92/53/135199253.db2.gz MIJIRAYBQNUFKZ-VXGBXAGGSA-N 1 2 217.316 2.624 20 30 BFEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1cccnc1 ZINC000340601195 135199254 /nfs/dbraw/zinc/19/92/54/135199254.db2.gz MIJIRAYBQNUFKZ-VXGBXAGGSA-N 1 2 217.316 2.624 20 30 BFEDLO COC[C@@H]([NH2+]CCC#N)c1ccc(Cl)cc1 ZINC000298621284 135199929 /nfs/dbraw/zinc/19/99/29/135199929.db2.gz UVKMPUPJWPOVNJ-GFCCVEGCSA-N 1 2 238.718 2.531 20 30 BFEDLO Cc1cccc(C[N@@H+](CC#N)CC(C)C)c1 ZINC000343013973 135344658 /nfs/dbraw/zinc/34/46/58/135344658.db2.gz HAYDFTQBYQLXIK-UHFFFAOYSA-N 1 2 216.328 2.977 20 30 BFEDLO Cc1cccc(C[N@H+](CC#N)CC(C)C)c1 ZINC000343013973 135344660 /nfs/dbraw/zinc/34/46/60/135344660.db2.gz HAYDFTQBYQLXIK-UHFFFAOYSA-N 1 2 216.328 2.977 20 30 BFEDLO Cc1nc(CC[N@@H+](C[C@H](C)C#N)C2CC2)cs1 ZINC000348376855 136073585 /nfs/dbraw/zinc/07/35/85/136073585.db2.gz XFBWKWNUAZORQI-SNVBAGLBSA-N 1 2 249.383 2.618 20 30 BFEDLO Cc1nc(CC[N@H+](C[C@H](C)C#N)C2CC2)cs1 ZINC000348376855 136073586 /nfs/dbraw/zinc/07/35/86/136073586.db2.gz XFBWKWNUAZORQI-SNVBAGLBSA-N 1 2 249.383 2.618 20 30 BFEDLO N#CC1(F)CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000348675675 136113299 /nfs/dbraw/zinc/11/32/99/136113299.db2.gz QYINALNSWSDTKI-UHFFFAOYSA-N 1 2 242.681 2.761 20 30 BFEDLO C#CC[N@@H+](CC)Cc1nc(CCC)cs1 ZINC000491617125 398049334 /nfs/dbraw/zinc/04/93/34/398049334.db2.gz BNLMTKPGBRFNHO-UHFFFAOYSA-N 1 2 222.357 2.551 20 30 BFEDLO C#CC[N@H+](CC)Cc1nc(CCC)cs1 ZINC000491617125 398049337 /nfs/dbraw/zinc/04/93/37/398049337.db2.gz BNLMTKPGBRFNHO-UHFFFAOYSA-N 1 2 222.357 2.551 20 30 BFEDLO Cc1cc(N2CC(C(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000335079762 398098469 /nfs/dbraw/zinc/09/84/69/398098469.db2.gz FHDJPCMKESRMTI-UHFFFAOYSA-N 1 2 229.327 2.744 20 30 BFEDLO CC#CC[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190290155 398099523 /nfs/dbraw/zinc/09/95/23/398099523.db2.gz FGQIHNUKQUBPSL-MRXNPFEDSA-N 1 2 243.350 2.646 20 30 BFEDLO CC#CC[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190290155 398099524 /nfs/dbraw/zinc/09/95/24/398099524.db2.gz FGQIHNUKQUBPSL-MRXNPFEDSA-N 1 2 243.350 2.646 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1cnc(Cl)s1 ZINC000279338093 166110986 /nfs/dbraw/zinc/11/09/86/166110986.db2.gz UMUZFHFMZPKJDD-UHFFFAOYSA-N 1 2 228.748 2.640 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC000279338093 166110989 /nfs/dbraw/zinc/11/09/89/166110989.db2.gz UMUZFHFMZPKJDD-UHFFFAOYSA-N 1 2 228.748 2.640 20 30 BFEDLO N#CCC[N@@H+](Cc1ccco1)CC1CCC1 ZINC000081518215 410076885 /nfs/dbraw/zinc/07/68/85/410076885.db2.gz OWYJXWFTKLWGDJ-UHFFFAOYSA-N 1 2 218.300 2.795 20 30 BFEDLO N#CCC[N@H+](Cc1ccco1)CC1CCC1 ZINC000081518215 410076893 /nfs/dbraw/zinc/07/68/93/410076893.db2.gz OWYJXWFTKLWGDJ-UHFFFAOYSA-N 1 2 218.300 2.795 20 30 BFEDLO C#C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000166437943 166211159 /nfs/dbraw/zinc/21/11/59/166211159.db2.gz KEEUIPGNERBZLL-SSDOTTSWSA-N 1 2 244.121 2.810 20 30 BFEDLO C=CCCCN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000340026605 166235404 /nfs/dbraw/zinc/23/54/04/166235404.db2.gz CSSWIKXRXPEALX-UHFFFAOYSA-N 1 2 246.358 2.701 20 30 BFEDLO C=CCCCN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000340026605 166235406 /nfs/dbraw/zinc/23/54/06/166235406.db2.gz CSSWIKXRXPEALX-UHFFFAOYSA-N 1 2 246.358 2.701 20 30 BFEDLO C=CC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175536585 166325157 /nfs/dbraw/zinc/32/51/57/166325157.db2.gz SUBIVMMFLRRDFB-UHFFFAOYSA-N 1 2 222.357 2.640 20 30 BFEDLO C=CC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175536585 166325158 /nfs/dbraw/zinc/32/51/58/166325158.db2.gz SUBIVMMFLRRDFB-UHFFFAOYSA-N 1 2 222.357 2.640 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccccc1C#N ZINC000031945812 166337300 /nfs/dbraw/zinc/33/73/00/166337300.db2.gz KOOFCGINSHKQES-UHFFFAOYSA-N 1 2 212.296 2.732 20 30 BFEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C)c(OC)c1 ZINC000292884107 166339804 /nfs/dbraw/zinc/33/98/04/166339804.db2.gz YBKIPLIWGISRHP-UHFFFAOYSA-N 1 2 244.338 2.905 20 30 BFEDLO C=CC[N@H+](CCC#N)Cc1ccc(C)c(OC)c1 ZINC000292884107 166339806 /nfs/dbraw/zinc/33/98/06/166339806.db2.gz YBKIPLIWGISRHP-UHFFFAOYSA-N 1 2 244.338 2.905 20 30 BFEDLO C=CC[N@@H+](CCc1ccco1)Cc1cn[nH]c1C ZINC000272676224 166344995 /nfs/dbraw/zinc/34/49/95/166344995.db2.gz USCBNAAZQCWQNJ-UHFFFAOYSA-N 1 2 245.326 2.542 20 30 BFEDLO C=CC[N@H+](CCc1ccco1)Cc1cn[nH]c1C ZINC000272676224 166344997 /nfs/dbraw/zinc/34/49/97/166344997.db2.gz USCBNAAZQCWQNJ-UHFFFAOYSA-N 1 2 245.326 2.542 20 30 BFEDLO C=CCN(Cc1cc(OC)cc(C)[nH+]1)C1CC1 ZINC000271545729 166347014 /nfs/dbraw/zinc/34/70/14/166347014.db2.gz ZONMVUXHWYOXAM-UHFFFAOYSA-N 1 2 232.327 2.549 20 30 BFEDLO Cc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)no1 ZINC000044693174 411139320 /nfs/dbraw/zinc/13/93/20/411139320.db2.gz RCIROSHYAKWKJW-NSHDSACASA-N 1 2 241.294 2.706 20 30 BFEDLO C=CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000654072486 411328652 /nfs/dbraw/zinc/32/86/52/411328652.db2.gz BDYHNILWXDBGNE-CYBMUJFWSA-N 1 2 249.358 2.697 20 30 BFEDLO Cc1cc(C[N@H+](C)CCC#N)c2ccccc2n1 ZINC000080789029 411249835 /nfs/dbraw/zinc/24/98/35/411249835.db2.gz QRXREELTGKJPSO-UHFFFAOYSA-N 1 2 239.322 2.889 20 30 BFEDLO Cc1cc(C[N@@H+](C)CCC#N)c2ccccc2n1 ZINC000080789029 411249837 /nfs/dbraw/zinc/24/98/37/411249837.db2.gz QRXREELTGKJPSO-UHFFFAOYSA-N 1 2 239.322 2.889 20 30 BFEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(CCC)n2)C1 ZINC000661378230 411760620 /nfs/dbraw/zinc/76/06/20/411760620.db2.gz AVPCXTZKEZDVPQ-GFCCVEGCSA-N 1 2 249.358 2.810 20 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/nfs/dbraw/zinc/68/35/41/487683541.db2.gz MLKVSGQQMIVRDA-CQSZACIVSA-N 1 2 244.338 2.906 20 30 BFEDLO CC1(C)CCC[N@@H+](Cc2ccccc2O)[C@@H]1C#N ZINC000278388071 487683545 /nfs/dbraw/zinc/68/35/45/487683545.db2.gz MLKVSGQQMIVRDA-CQSZACIVSA-N 1 2 244.338 2.906 20 30 BFEDLO C=C(CC)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671712161 487702578 /nfs/dbraw/zinc/70/25/78/487702578.db2.gz TWWPUALCNDPWBJ-ZJUUUORDSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C(CC)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671712161 487702583 /nfs/dbraw/zinc/70/25/83/487702583.db2.gz TWWPUALCNDPWBJ-ZJUUUORDSA-N 1 2 237.265 2.604 20 30 BFEDLO CCCCCCC[N@H+]1CC[C@@](F)(C#N)C1 ZINC000786439349 585891709 /nfs/dbraw/zinc/89/17/09/585891709.db2.gz ZMBLWSWJAPLBTC-GFCCVEGCSA-N 1 2 212.312 2.894 20 30 BFEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000246753852 323010399 /nfs/dbraw/zinc/01/03/99/323010399.db2.gz NIWDCNJADISFSG-IUODEOHRSA-N 1 2 247.313 2.611 20 30 BFEDLO CC#CC[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000246753852 323010400 /nfs/dbraw/zinc/01/04/00/323010400.db2.gz NIWDCNJADISFSG-IUODEOHRSA-N 1 2 247.313 2.611 20 30 BFEDLO CC1(C[N@H+](CCC#N)Cc2ccccn2)CC1 ZINC000562340201 323016978 /nfs/dbraw/zinc/01/69/78/323016978.db2.gz COYFXDXOLIXEMK-UHFFFAOYSA-N 1 2 229.327 2.597 20 30 BFEDLO CC1(C[N@@H+](CCC#N)Cc2ccccn2)CC1 ZINC000562340201 323016979 /nfs/dbraw/zinc/01/69/79/323016979.db2.gz COYFXDXOLIXEMK-UHFFFAOYSA-N 1 2 229.327 2.597 20 30 BFEDLO C=CCOc1cccc(C[NH2+]CC(C)(F)F)c1 ZINC000562509870 323022341 /nfs/dbraw/zinc/02/23/41/323022341.db2.gz TUDWFENEIQRSOU-UHFFFAOYSA-N 1 2 241.281 2.996 20 30 BFEDLO C=CCCCCSc1[nH+]cnc2c1cnn2C ZINC000570398310 323058504 /nfs/dbraw/zinc/05/85/04/323058504.db2.gz GNHHUALLMLLCOM-UHFFFAOYSA-N 1 2 248.355 2.812 20 30 BFEDLO CCc1ncc(C[N@H+](CCC#N)C(C)C)s1 ZINC000534337059 323117766 /nfs/dbraw/zinc/11/77/66/323117766.db2.gz PTBMCPLVSKVPFE-UHFFFAOYSA-N 1 2 237.372 2.830 20 30 BFEDLO CCc1ncc(C[N@@H+](CCC#N)C(C)C)s1 ZINC000534337059 323117767 /nfs/dbraw/zinc/11/77/67/323117767.db2.gz PTBMCPLVSKVPFE-UHFFFAOYSA-N 1 2 237.372 2.830 20 30 BFEDLO CCc1cccc(F)c1C[NH2+]C[C@@H](C)C#N ZINC000309944116 323123258 /nfs/dbraw/zinc/12/32/58/323123258.db2.gz CPOFWARPMINBCS-JTQLQIEISA-N 1 2 220.291 2.637 20 30 BFEDLO Cc1ccccc1[C@H](C)[NH+]1CC(C)(C#N)C1 ZINC000565166980 323127543 /nfs/dbraw/zinc/12/75/43/323127543.db2.gz WGTCYFIZJDFJJX-LBPRGKRZSA-N 1 2 214.312 2.902 20 30 BFEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cscn1 ZINC000162354434 323608427 /nfs/dbraw/zinc/60/84/27/323608427.db2.gz ASTMXYRYPLDEDZ-JTQLQIEISA-N 1 2 243.335 2.866 20 30 BFEDLO C=C(CC)C[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000543544492 325092909 /nfs/dbraw/zinc/09/29/09/325092909.db2.gz QCXCUEUITBSQCF-ZDUSSCGKSA-N 1 2 239.359 2.664 20 30 BFEDLO CCC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000131991660 325194035 /nfs/dbraw/zinc/19/40/35/325194035.db2.gz JEROYBNHAVUUEH-HNNXBMFYSA-N 1 2 244.338 2.559 20 30 BFEDLO CCC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000131991660 325194037 /nfs/dbraw/zinc/19/40/37/325194037.db2.gz JEROYBNHAVUUEH-HNNXBMFYSA-N 1 2 244.338 2.559 20 30 BFEDLO CC[N@H+](CC#Cc1ccc(F)cc1)C[C@H](C)C#N ZINC000157747557 326294239 /nfs/dbraw/zinc/29/42/39/326294239.db2.gz NGJLESWHYKEBDL-CYBMUJFWSA-N 1 2 244.313 2.659 20 30 BFEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)C[C@H](C)C#N ZINC000157747557 326294242 /nfs/dbraw/zinc/29/42/42/326294242.db2.gz NGJLESWHYKEBDL-CYBMUJFWSA-N 1 2 244.313 2.659 20 30 BFEDLO C#CC(C)(C)[N@H+](C)Cc1ccncc1Cl ZINC000491666652 488036611 /nfs/dbraw/zinc/03/66/11/488036611.db2.gz HURXJXDMXCEKQP-UHFFFAOYSA-N 1 2 222.719 2.579 20 30 BFEDLO C#CC(C)(C)[N@@H+](C)Cc1ccncc1Cl ZINC000491666652 488036614 /nfs/dbraw/zinc/03/66/14/488036614.db2.gz HURXJXDMXCEKQP-UHFFFAOYSA-N 1 2 222.719 2.579 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C2CCC2)nn1 ZINC000668078265 488199155 /nfs/dbraw/zinc/19/91/55/488199155.db2.gz JEFHPOLGNKWWFB-ZDUSSCGKSA-N 1 2 246.358 2.544 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(C2CCC2)nn1 ZINC000668078265 488199159 /nfs/dbraw/zinc/19/91/59/488199159.db2.gz JEFHPOLGNKWWFB-ZDUSSCGKSA-N 1 2 246.358 2.544 20 30 BFEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000678220490 488220405 /nfs/dbraw/zinc/22/04/05/488220405.db2.gz WBLHDWMUSNHNDX-GXTWGEPZSA-N 1 2 249.379 2.923 20 30 BFEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000678220490 488220408 /nfs/dbraw/zinc/22/04/08/488220408.db2.gz WBLHDWMUSNHNDX-GXTWGEPZSA-N 1 2 249.379 2.923 20 30 BFEDLO C=C(CC)C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000678624716 488273621 /nfs/dbraw/zinc/27/36/21/488273621.db2.gz MQOSRMPGXUOIKW-ZJUUUORDSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C(CC)C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000678624716 488273623 /nfs/dbraw/zinc/27/36/23/488273623.db2.gz MQOSRMPGXUOIKW-ZJUUUORDSA-N 1 2 237.265 2.604 20 30 BFEDLO C=C1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000678822430 488287828 /nfs/dbraw/zinc/28/78/28/488287828.db2.gz DVDPOJUMNBFTMP-UHFFFAOYSA-N 1 2 234.368 2.784 20 30 BFEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000283151304 490362586 /nfs/dbraw/zinc/36/25/86/490362586.db2.gz YPISXHKEKMAVNR-RYUDHWBXSA-N 1 2 249.358 2.825 20 30 BFEDLO Cc1cncc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602981113 491088064 /nfs/dbraw/zinc/08/80/64/491088064.db2.gz ZSAWWXBEKBQAFK-KGLIPLIRSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cncc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602981113 491088066 /nfs/dbraw/zinc/08/80/66/491088066.db2.gz ZSAWWXBEKBQAFK-KGLIPLIRSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cncc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602981115 491088094 /nfs/dbraw/zinc/08/80/94/491088094.db2.gz ZSAWWXBEKBQAFK-ZIAGYGMSSA-N 1 2 229.327 2.514 20 30 BFEDLO Cc1cncc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602981115 491088096 /nfs/dbraw/zinc/08/80/96/491088096.db2.gz ZSAWWXBEKBQAFK-ZIAGYGMSSA-N 1 2 229.327 2.514 20 30 BFEDLO CC[N@@H+](Cc1cnc(F)cc1C)C[C@H](C)C#N ZINC000891716581 582713173 /nfs/dbraw/zinc/71/31/73/582713173.db2.gz STDZXFYSANSKMN-SNVBAGLBSA-N 1 2 235.306 2.511 20 30 BFEDLO CC[N@H+](Cc1cnc(F)cc1C)C[C@H](C)C#N ZINC000891716581 582713174 /nfs/dbraw/zinc/71/31/74/582713174.db2.gz STDZXFYSANSKMN-SNVBAGLBSA-N 1 2 235.306 2.511 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cccc(C#N)c1F ZINC000352881613 534829311 /nfs/dbraw/zinc/82/93/11/534829311.db2.gz DXGLPOKLIPWKLK-UHFFFAOYSA-N 1 2 230.286 2.871 20 30 BFEDLO C/C(=C/c1ccccc1)C[N@H+](C)CCC#N ZINC000505313426 527505408 /nfs/dbraw/zinc/50/54/08/527505408.db2.gz GHOXTJMTMGSRKT-QBFSEMIESA-N 1 2 214.312 2.935 20 30 BFEDLO C/C(=C/c1ccccc1)C[N@@H+](C)CCC#N ZINC000505313426 527505415 /nfs/dbraw/zinc/50/54/15/527505415.db2.gz GHOXTJMTMGSRKT-QBFSEMIESA-N 1 2 214.312 2.935 20 30 BFEDLO CC[C@@H]([NH2+]CCC#N)c1cc(F)ccc1F ZINC000299179318 535803171 /nfs/dbraw/zinc/80/31/71/535803171.db2.gz YYHUOMAZNFTZRA-GFCCVEGCSA-N 1 2 224.254 2.919 20 30 BFEDLO CCc1ccc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000347823578 536173214 /nfs/dbraw/zinc/17/32/14/536173214.db2.gz UYORNNNTPXBZCA-UHFFFAOYSA-N 1 2 243.354 2.770 20 30 BFEDLO CCc1ccc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000347823578 536173218 /nfs/dbraw/zinc/17/32/18/536173218.db2.gz UYORNNNTPXBZCA-UHFFFAOYSA-N 1 2 243.354 2.770 20 30 BFEDLO CN(c1ccccc1)C1CC[NH+](CCC#N)CC1 ZINC000369003225 536297313 /nfs/dbraw/zinc/29/73/13/536297313.db2.gz OQVOKGOQQYPWQU-UHFFFAOYSA-N 1 2 243.354 2.501 20 30 BFEDLO CC1(C)CC(/[NH+]=C/c2cccc(O)c2O)C1 ZINC000852999152 588714928 /nfs/dbraw/zinc/71/49/28/588714928.db2.gz XAQGAUCSWLWCDH-RIYZIHGNSA-N 1 2 219.284 2.705 20 30 BFEDLO CC1(C)CC(/[NH+]=C\c2cccc(O)c2O)C1 ZINC000852999153 588714991 /nfs/dbraw/zinc/71/49/91/588714991.db2.gz XAQGAUCSWLWCDH-ZSOIEALJSA-N 1 2 219.284 2.705 20 30 BFEDLO C(=NOC1CCCCC1)c1c[nH+]c2n1CCC2 ZINC000853335343 588734542 /nfs/dbraw/zinc/73/45/42/588734542.db2.gz QMZULIABRRWVDQ-UHFFFAOYSA-N 1 2 233.315 2.513 20 30 BFEDLO CC(C)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000853646322 588751999 /nfs/dbraw/zinc/75/19/99/588751999.db2.gz PWYSDYXXZUXPND-VIFPVBQESA-N 1 2 224.279 2.507 20 30 BFEDLO C=CCCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000854098342 588774547 /nfs/dbraw/zinc/77/45/47/588774547.db2.gz LQPGNMZFJZYMCO-UHFFFAOYSA-N 1 2 243.310 2.873 20 30 BFEDLO C=CC[C@@H](C=C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000860929327 582554172 /nfs/dbraw/zinc/55/41/72/582554172.db2.gz GMCCCEQUVBLJEB-VXGBXAGGSA-N 1 2 234.299 2.508 20 30 BFEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1ccco1 ZINC000891487284 582692150 /nfs/dbraw/zinc/69/21/50/582692150.db2.gz JMRWALDQFMEGHS-UHFFFAOYSA-N 1 2 232.308 2.845 20 30 BFEDLO C[N@H+](Cc1csc(C#N)c1)Cc1ccco1 ZINC000891487284 582692153 /nfs/dbraw/zinc/69/21/53/582692153.db2.gz JMRWALDQFMEGHS-UHFFFAOYSA-N 1 2 232.308 2.845 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1nccc2c1CCCC2 ZINC000891935266 582740827 /nfs/dbraw/zinc/74/08/27/582740827.db2.gz ZLMWLCWLOFIVEF-GFCCVEGCSA-N 1 2 243.354 2.694 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1nccc2c1CCCC2 ZINC000891935266 582740828 /nfs/dbraw/zinc/74/08/28/582740828.db2.gz ZLMWLCWLOFIVEF-GFCCVEGCSA-N 1 2 243.354 2.694 20 30 BFEDLO C#CCCNc1cc(Br)cc(C)[nH+]1 ZINC000892526317 582906390 /nfs/dbraw/zinc/90/63/90/582906390.db2.gz GZNIXEIHFRZTMF-UHFFFAOYSA-N 1 2 239.116 2.588 20 30 BFEDLO C#C[C@@H](C)[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000775183175 583054952 /nfs/dbraw/zinc/05/49/52/583054952.db2.gz JRORUYTZRWZTMJ-MRVPVSSYSA-N 1 2 241.693 2.638 20 30 BFEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000775183175 583054954 /nfs/dbraw/zinc/05/49/54/583054954.db2.gz JRORUYTZRWZTMJ-MRVPVSSYSA-N 1 2 241.693 2.638 20 30 BFEDLO Oc1ccccc1/C=[NH+]/CC[C@@H]1CC1(F)F ZINC000856719718 588875135 /nfs/dbraw/zinc/87/51/35/588875135.db2.gz WJPDFSIXLYKQFL-XBLUXWHVSA-N 1 2 225.238 2.856 20 30 BFEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(C)nc1Cl ZINC000857040609 588883252 /nfs/dbraw/zinc/88/32/52/588883252.db2.gz XEYXKUANFHBQDF-NSHDSACASA-N 1 2 239.750 2.614 20 30 BFEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1Cl ZINC000857040609 588883253 /nfs/dbraw/zinc/88/32/53/588883253.db2.gz XEYXKUANFHBQDF-NSHDSACASA-N 1 2 239.750 2.614 20 30 BFEDLO C=CC[C@H](CC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893683249 583198535 /nfs/dbraw/zinc/19/85/35/583198535.db2.gz FRLRTDXCPXGDTE-QWRGUYRKSA-N 1 2 220.316 2.902 20 30 BFEDLO CC(C)CN(CCC#N)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000893880283 583239534 /nfs/dbraw/zinc/23/95/34/583239534.db2.gz HWGFXBFRVNVZIE-UHFFFAOYSA-N 1 2 248.374 2.905 20 30 BFEDLO C[C@@H](C#N)C[N@H+](C)C/C=C/c1cccc(F)c1 ZINC000893995129 583268032 /nfs/dbraw/zinc/26/80/32/583268032.db2.gz MQUILAOAVLBNSP-FUEXJSSKSA-N 1 2 232.302 2.930 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC000893995129 583268033 /nfs/dbraw/zinc/26/80/33/583268033.db2.gz MQUILAOAVLBNSP-FUEXJSSKSA-N 1 2 232.302 2.930 20 30 BFEDLO CC[N@@H+](Cc1ccc(SC)o1)C[C@H](C)C#N ZINC000893995557 583268216 /nfs/dbraw/zinc/26/82/16/583268216.db2.gz QSDFHHDWERRJMK-SNVBAGLBSA-N 1 2 238.356 2.983 20 30 BFEDLO CC[N@H+](Cc1ccc(SC)o1)C[C@H](C)C#N ZINC000893995557 583268218 /nfs/dbraw/zinc/26/82/18/583268218.db2.gz QSDFHHDWERRJMK-SNVBAGLBSA-N 1 2 238.356 2.983 20 30 BFEDLO C=CCCC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000726649941 583364737 /nfs/dbraw/zinc/36/47/37/583364737.db2.gz JXZYBLZCHCEPCC-UHFFFAOYSA-N 1 2 244.294 2.652 20 30 BFEDLO Cc1nc(C[NH2+]CC2(C#N)CCC2)sc1C ZINC000894966772 583560028 /nfs/dbraw/zinc/56/00/28/583560028.db2.gz NWTDHMCZVHZJGS-UHFFFAOYSA-N 1 2 235.356 2.543 20 30 BFEDLO CSc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000895336953 583654061 /nfs/dbraw/zinc/65/40/61/583654061.db2.gz ZEXIIHQLALBKBS-LBPRGKRZSA-N 1 2 236.340 2.737 20 30 BFEDLO CSc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000895336953 583654063 /nfs/dbraw/zinc/65/40/63/583654063.db2.gz ZEXIIHQLALBKBS-LBPRGKRZSA-N 1 2 236.340 2.737 20 30 BFEDLO CSc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000895336952 583654119 /nfs/dbraw/zinc/65/41/19/583654119.db2.gz ZEXIIHQLALBKBS-GFCCVEGCSA-N 1 2 236.340 2.737 20 30 BFEDLO CSc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000895336952 583654120 /nfs/dbraw/zinc/65/41/20/583654120.db2.gz ZEXIIHQLALBKBS-GFCCVEGCSA-N 1 2 236.340 2.737 20 30 BFEDLO Cc1cc(C[N@@H+]2Cc3ccncc3C2)ccc1C#N ZINC000857879546 588919629 /nfs/dbraw/zinc/91/96/29/588919629.db2.gz IGZZESGQWJBJOE-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO Cc1cc(C[N@H+]2Cc3ccncc3C2)ccc1C#N ZINC000857879546 588919631 /nfs/dbraw/zinc/91/96/31/588919631.db2.gz IGZZESGQWJBJOE-UHFFFAOYSA-N 1 2 249.317 2.778 20 30 BFEDLO COc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC000896500721 583807239 /nfs/dbraw/zinc/80/72/39/583807239.db2.gz JBQPMRXQPOZAIR-CYBMUJFWSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1ccc(C[N@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC000896500721 583807241 /nfs/dbraw/zinc/80/72/41/583807241.db2.gz JBQPMRXQPOZAIR-CYBMUJFWSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000896500722 583807331 /nfs/dbraw/zinc/80/73/31/583807331.db2.gz JBQPMRXQPOZAIR-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000896500722 583807332 /nfs/dbraw/zinc/80/73/32/583807332.db2.gz JBQPMRXQPOZAIR-ZDUSSCGKSA-N 1 2 244.338 2.739 20 30 BFEDLO CCC[C@@H](C/[NH+]=C/c1ccccc1O)OC ZINC000840705647 583838736 /nfs/dbraw/zinc/83/87/36/583838736.db2.gz FCEXQUAMQQNPPA-IGVUGNCQSA-N 1 2 221.300 2.626 20 30 BFEDLO CC[C@](C)(C/[NH+]=C/c1ccccc1O)OC ZINC000840707388 583848463 /nfs/dbraw/zinc/84/84/63/583848463.db2.gz OQGVHZUBWZGLJZ-OZYJXZHSSA-N 1 2 221.300 2.626 20 30 BFEDLO CC/C=C\C/[NH+]=C\c1cccc(OC)c1O ZINC000840707422 583848784 /nfs/dbraw/zinc/84/87/84/583848784.db2.gz PCUIVAGYWYEHRU-DXSVQLQZSA-N 1 2 219.284 2.786 20 30 BFEDLO C=C1CC(C)(c2noc(C[N@@H+](CC)C3CC3)n2)C1 ZINC000896917536 583855425 /nfs/dbraw/zinc/85/54/25/583855425.db2.gz ZBSJRSWOZJGIAE-UHFFFAOYSA-N 1 2 247.342 2.662 20 30 BFEDLO C=C1CC(C)(c2noc(C[N@H+](CC)C3CC3)n2)C1 ZINC000896917536 583855428 /nfs/dbraw/zinc/85/54/28/583855428.db2.gz ZBSJRSWOZJGIAE-UHFFFAOYSA-N 1 2 247.342 2.662 20 30 BFEDLO CC(C)(O)C(C)(C)C/[NH+]=C/c1ccccc1O ZINC000840710036 583862580 /nfs/dbraw/zinc/86/25/80/583862580.db2.gz NTBBOCBWXDIEQO-OQLLNIDSSA-N 1 2 235.327 2.608 20 30 BFEDLO C[C@@H]1CCC[C@H]1/[NH+]=C\c1cccc(O)c1O ZINC000729641585 584020552 /nfs/dbraw/zinc/02/05/52/584020552.db2.gz OPPXFHZIKKVFAB-FSJDBVLPSA-N 1 2 219.284 2.705 20 30 BFEDLO C=C[C@H]1CCCCN1c1ccc([C@@H](C)O)c[nH+]1 ZINC000865733452 584027647 /nfs/dbraw/zinc/02/76/47/584027647.db2.gz JXETYIICZCCMLS-YPMHNXCESA-N 1 2 232.327 2.680 20 30 BFEDLO CC(C)c1c[nH]c(C=CC(=O)c2cncs2)[nH+]1 ZINC000901477664 584448998 /nfs/dbraw/zinc/44/89/98/584448998.db2.gz QJFBQHQAMLVEMA-ONEGZZNKSA-N 1 2 247.323 2.886 20 30 BFEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cscn1 ZINC000901490758 584452251 /nfs/dbraw/zinc/45/22/51/584452251.db2.gz XHYWZSMEPANYMC-ARJAWSKDSA-N 1 2 247.323 2.817 20 30 BFEDLO C=CCCC[N@@H+](CC)Cn1ncsc1=S ZINC000902668791 584654049 /nfs/dbraw/zinc/65/40/49/584654049.db2.gz GIXQZUWETJOVIP-UHFFFAOYSA-N 1 2 243.401 2.920 20 30 BFEDLO C=CCCC[N@H+](CC)Cn1ncsc1=S ZINC000902668791 584654052 /nfs/dbraw/zinc/65/40/52/584654052.db2.gz GIXQZUWETJOVIP-UHFFFAOYSA-N 1 2 243.401 2.920 20 30 BFEDLO Cn1c[nH+]c2cc(OCC3(C#N)CCC3)ccc21 ZINC000902781144 584670301 /nfs/dbraw/zinc/67/03/01/584670301.db2.gz HCAFAUBEAANUOV-UHFFFAOYSA-N 1 2 241.294 2.646 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cn1 ZINC000903033517 584718627 /nfs/dbraw/zinc/71/86/27/584718627.db2.gz WMGDAMAJIJQGNI-SNVBAGLBSA-N 1 2 233.290 2.565 20 30 BFEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cccnc1Cl ZINC000903100018 584726786 /nfs/dbraw/zinc/72/67/86/584726786.db2.gz GCBUSRNOXPZINS-VIFPVBQESA-N 1 2 237.734 2.935 20 30 BFEDLO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)c2nccn21 ZINC000903108428 584728769 /nfs/dbraw/zinc/72/87/69/584728769.db2.gz CGZIBGSGZFZUKU-VXGBXAGGSA-N 1 2 244.342 2.562 20 30 BFEDLO C=CCC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccco1 ZINC000903351357 584755449 /nfs/dbraw/zinc/75/54/49/584755449.db2.gz JZYRQIOKKBMXQC-CYBMUJFWSA-N 1 2 245.326 2.810 20 30 BFEDLO Cc1ccc2c(c1)C/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000731158753 584922975 /nfs/dbraw/zinc/92/29/75/584922975.db2.gz HWJSRWZRPQVSHO-DHZHZOJOSA-N 1 2 224.263 2.541 20 30 BFEDLO C#CCCC[N@@H+]1CCCc2cc(OC)ccc21 ZINC000766894382 584944429 /nfs/dbraw/zinc/94/44/29/584944429.db2.gz BTOMMDBIECVESV-UHFFFAOYSA-N 1 2 229.323 2.861 20 30 BFEDLO C#CCCC[N@H+]1CCCc2cc(OC)ccc21 ZINC000766894382 584944430 /nfs/dbraw/zinc/94/44/30/584944430.db2.gz BTOMMDBIECVESV-UHFFFAOYSA-N 1 2 229.323 2.861 20 30 BFEDLO CC(C)[C@@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000739425696 585064698 /nfs/dbraw/zinc/06/46/98/585064698.db2.gz HBFTYFMYHFOXKA-CEITULEQSA-N 1 2 221.300 2.809 20 30 BFEDLO C#CC[NH+](CC#C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000839500862 585105690 /nfs/dbraw/zinc/10/56/90/585105690.db2.gz ROSLWFKPBFBXGY-NSHDSACASA-N 1 2 233.261 2.594 20 30 BFEDLO C=CCCCO[NH+]=C(N)c1ccccc1C ZINC000740872242 585107749 /nfs/dbraw/zinc/10/77/49/585107749.db2.gz KOKJRESZNAMAEN-UHFFFAOYSA-N 1 2 218.300 2.808 20 30 BFEDLO CC(C)[N@H+](CCC#N)C[C@H]1CC1(Cl)Cl ZINC000747532456 585180560 /nfs/dbraw/zinc/18/05/60/585180560.db2.gz LLDSKIJUBDHIBN-SECBINFHSA-N 1 2 235.158 2.804 20 30 BFEDLO CC(C)[N@@H+](CCC#N)C[C@H]1CC1(Cl)Cl ZINC000747532456 585180561 /nfs/dbraw/zinc/18/05/61/585180561.db2.gz LLDSKIJUBDHIBN-SECBINFHSA-N 1 2 235.158 2.804 20 30 BFEDLO N#CCC[N@H+](CC1CC1)C[C@H]1CC1(Cl)Cl ZINC000749117085 585199657 /nfs/dbraw/zinc/19/96/57/585199657.db2.gz QQEJGSBYDBMLRB-SNVBAGLBSA-N 1 2 247.169 2.806 20 30 BFEDLO N#CCC[N@@H+](CC1CC1)C[C@H]1CC1(Cl)Cl ZINC000749117085 585199658 /nfs/dbraw/zinc/19/96/58/585199658.db2.gz QQEJGSBYDBMLRB-SNVBAGLBSA-N 1 2 247.169 2.806 20 30 BFEDLO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CC1(Cl)Cl ZINC000750283174 585212797 /nfs/dbraw/zinc/21/27/97/585212797.db2.gz BOHILPSZCIWDTE-DTWKUNHWSA-N 1 2 235.158 2.662 20 30 BFEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CC1(Cl)Cl ZINC000750283174 585212798 /nfs/dbraw/zinc/21/27/98/585212798.db2.gz BOHILPSZCIWDTE-DTWKUNHWSA-N 1 2 235.158 2.662 20 30 BFEDLO Cn1c[nH+]cc1CON=Cc1ccc(Cl)cc1 ZINC000753118485 585253382 /nfs/dbraw/zinc/25/33/82/585253382.db2.gz PWYLEWJUPPIBNU-UHFFFAOYSA-N 1 2 249.701 2.624 20 30 BFEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(Cl)nc1)C1CC1 ZINC000754375163 585283495 /nfs/dbraw/zinc/28/34/95/585283495.db2.gz WYTCSOLFEDFDFV-JTQLQIEISA-N 1 2 249.745 2.859 20 30 BFEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(Cl)nc1)C1CC1 ZINC000754375163 585283496 /nfs/dbraw/zinc/28/34/96/585283496.db2.gz WYTCSOLFEDFDFV-JTQLQIEISA-N 1 2 249.745 2.859 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NNc1cc(C)cc(C)c1 ZINC000755564901 585301537 /nfs/dbraw/zinc/30/15/37/585301537.db2.gz LBCCQGWWBWUVSB-UHFFFAOYSA-N 1 2 228.299 2.781 20 30 BFEDLO CCCc1cccc(C=[NH+][N-]c2[nH+]ccn2C)c1 ZINC000790302296 585403857 /nfs/dbraw/zinc/40/38/57/585403857.db2.gz MFQPAPZQDCQDQJ-UHFFFAOYSA-N 1 2 242.326 2.819 20 30 BFEDLO CCCc1cccc(C=NNc2[nH+]ccn2C)c1 ZINC000790302296 585403858 /nfs/dbraw/zinc/40/38/58/585403858.db2.gz MFQPAPZQDCQDQJ-UHFFFAOYSA-N 1 2 242.326 2.819 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CCOCC1CCC1 ZINC000764889355 585477003 /nfs/dbraw/zinc/47/70/03/585477003.db2.gz RHKANYNVOSTUSH-GDNBJRDFSA-N 1 2 233.311 2.628 20 30 BFEDLO CC[N@H+](CCC#N)Cc1cnc(Cl)c(C)c1 ZINC000768242994 585534970 /nfs/dbraw/zinc/53/49/70/585534970.db2.gz FVYCKRNJODNOOM-UHFFFAOYSA-N 1 2 237.734 2.779 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1cnc(Cl)c(C)c1 ZINC000768242994 585534971 /nfs/dbraw/zinc/53/49/71/585534971.db2.gz FVYCKRNJODNOOM-UHFFFAOYSA-N 1 2 237.734 2.779 20 30 BFEDLO C[C@H](CC#N)[N@H+](C)Cc1nccc2ccccc21 ZINC000769332192 585554029 /nfs/dbraw/zinc/55/40/29/585554029.db2.gz INTLXVCMFXPUGB-GFCCVEGCSA-N 1 2 239.322 2.969 20 30 BFEDLO C[C@H](CC#N)[N@@H+](C)Cc1nccc2ccccc21 ZINC000769332192 585554030 /nfs/dbraw/zinc/55/40/30/585554030.db2.gz INTLXVCMFXPUGB-GFCCVEGCSA-N 1 2 239.322 2.969 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1cnc(Cl)c(C)c1 ZINC000769447745 585556663 /nfs/dbraw/zinc/55/66/63/585556663.db2.gz KKZOEFROLVIPJS-UHFFFAOYSA-N 1 2 246.741 2.502 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1cnc(Cl)c(C)c1 ZINC000769447745 585556664 /nfs/dbraw/zinc/55/66/64/585556664.db2.gz KKZOEFROLVIPJS-UHFFFAOYSA-N 1 2 246.741 2.502 20 30 BFEDLO C#CC[NH+](CC#C)Cc1cccc(Cl)c1F ZINC000769442957 585556696 /nfs/dbraw/zinc/55/66/96/585556696.db2.gz NPTGSSXJADXPGL-UHFFFAOYSA-N 1 2 235.689 2.548 20 30 BFEDLO COc1ccc2c(c1)[nH+]ccc2N(C)CCC#N ZINC000770443491 585574065 /nfs/dbraw/zinc/57/40/65/585574065.db2.gz MUXRNNJPXGAYOA-UHFFFAOYSA-N 1 2 241.294 2.593 20 30 BFEDLO C=C(CC)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000773183061 585633289 /nfs/dbraw/zinc/63/32/89/585633289.db2.gz LWRXPQOUFNPPON-UHFFFAOYSA-N 1 2 236.290 2.947 20 30 BFEDLO CC(C)(O)CC/[NH+]=C/c1cc(Cl)ccc1O ZINC000773905749 585646219 /nfs/dbraw/zinc/64/62/19/585646219.db2.gz MXBQWJABRVWVOM-RIYZIHGNSA-N 1 2 241.718 2.626 20 30 BFEDLO C#CC[N@@H+](Cc1cc(O)ccc1Cl)C1CC1 ZINC000859253015 589024298 /nfs/dbraw/zinc/02/42/98/589024298.db2.gz VLUXWYQCRDZBMD-UHFFFAOYSA-N 1 2 235.714 2.643 20 30 BFEDLO C#CC[N@H+](Cc1cc(O)ccc1Cl)C1CC1 ZINC000859253015 589024299 /nfs/dbraw/zinc/02/42/99/589024299.db2.gz VLUXWYQCRDZBMD-UHFFFAOYSA-N 1 2 235.714 2.643 20 30 BFEDLO Cc1cc[nH+]cc1CCC=NOCC(F)F ZINC000776734613 585703546 /nfs/dbraw/zinc/70/35/46/585703546.db2.gz SYEGMAZOEJAJPE-UHFFFAOYSA-N 1 2 228.242 2.590 20 30 BFEDLO C#CC[NH+](CC#C)Cc1cc(F)cc(Cl)c1 ZINC000777219684 585709641 /nfs/dbraw/zinc/70/96/41/585709641.db2.gz AMWJLIKVTBHEIY-UHFFFAOYSA-N 1 2 235.689 2.548 20 30 BFEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)CC=C ZINC000779188703 585746721 /nfs/dbraw/zinc/74/67/21/585746721.db2.gz YHEQTANIWXRIFQ-UHFFFAOYSA-N 1 2 249.741 2.970 20 30 BFEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)CC=C ZINC000779188703 585746722 /nfs/dbraw/zinc/74/67/22/585746722.db2.gz YHEQTANIWXRIFQ-UHFFFAOYSA-N 1 2 249.741 2.970 20 30 BFEDLO C[C@H](/[NH+]=C/c1ccccc1O)[C@H]1CCCOC1 ZINC000779708083 585759236 /nfs/dbraw/zinc/75/92/36/585759236.db2.gz RQSRBTCTNVNACI-KQAANWFRSA-N 1 2 233.311 2.626 20 30 BFEDLO CC1(C#N)CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000780337217 585778100 /nfs/dbraw/zinc/77/81/00/585778100.db2.gz YCRSRRUFDZZXQS-UHFFFAOYSA-N 1 2 249.745 2.861 20 30 BFEDLO C#CCOc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000780895421 585785751 /nfs/dbraw/zinc/78/57/51/585785751.db2.gz SDQAALLCWXRLCG-UHFFFAOYSA-N 1 2 245.297 2.758 20 30 BFEDLO C#CCOc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000780895421 585785752 /nfs/dbraw/zinc/78/57/52/585785752.db2.gz SDQAALLCWXRLCG-UHFFFAOYSA-N 1 2 245.297 2.758 20 30 BFEDLO C#CCOc1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000780894489 585785859 /nfs/dbraw/zinc/78/58/59/585785859.db2.gz FNOIBAUGQQCWTB-UHFFFAOYSA-N 1 2 245.297 2.758 20 30 BFEDLO C#CCOc1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000780894489 585785860 /nfs/dbraw/zinc/78/58/60/585785860.db2.gz FNOIBAUGQQCWTB-UHFFFAOYSA-N 1 2 245.297 2.758 20 30 BFEDLO COc1ccc2c(NC[C@H](C)C#N)cc[nH+]c2c1 ZINC000781664244 585801428 /nfs/dbraw/zinc/80/14/28/585801428.db2.gz PEYUALBCTFDCBL-SNVBAGLBSA-N 1 2 241.294 2.815 20 30 BFEDLO C=C(Cl)CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000783253203 585832498 /nfs/dbraw/zinc/83/24/98/585832498.db2.gz YGOKGRCNNZPCRS-LBPRGKRZSA-N 1 2 247.729 2.841 20 30 BFEDLO CCCCCCC[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000786439349 585891708 /nfs/dbraw/zinc/89/17/08/585891708.db2.gz ZMBLWSWJAPLBTC-GFCCVEGCSA-N 1 2 212.312 2.894 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1cc(Cl)cs1 ZINC000787179105 585902576 /nfs/dbraw/zinc/90/25/76/585902576.db2.gz KYTCXQGQXWHQLW-UHFFFAOYSA-N 1 2 237.755 2.860 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1cc(Cl)cs1 ZINC000787179105 585902577 /nfs/dbraw/zinc/90/25/77/585902577.db2.gz KYTCXQGQXWHQLW-UHFFFAOYSA-N 1 2 237.755 2.860 20 30 BFEDLO Cc1nc(F)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000787202331 585902956 /nfs/dbraw/zinc/90/29/56/585902956.db2.gz QHCJVFXAQBIFIL-JTQLQIEISA-N 1 2 247.317 2.653 20 30 BFEDLO Cc1nc(F)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000787202331 585902957 /nfs/dbraw/zinc/90/29/57/585902957.db2.gz QHCJVFXAQBIFIL-JTQLQIEISA-N 1 2 247.317 2.653 20 30 BFEDLO CCCCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000787362139 585907776 /nfs/dbraw/zinc/90/77/76/585907776.db2.gz VXHMFFPKTCIRCO-NSHDSACASA-N 1 2 235.318 2.659 20 30 BFEDLO CCCCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000787362139 585907777 /nfs/dbraw/zinc/90/77/77/585907777.db2.gz VXHMFFPKTCIRCO-NSHDSACASA-N 1 2 235.318 2.659 20 30 BFEDLO Cc1[nH]c[nH+]c1C=NN1CCC(C(C)(C)C)CC1 ZINC000790182129 585959826 /nfs/dbraw/zinc/95/98/26/585959826.db2.gz WZRWVCLHJZFIJO-UHFFFAOYSA-N 1 2 248.374 2.810 20 30 BFEDLO CC(C)c1ccc(C=[NH+][N-]c2[nH+]ccn2C)cc1 ZINC000790305199 585963364 /nfs/dbraw/zinc/96/33/64/585963364.db2.gz DMCUVWWNFHHYPS-UHFFFAOYSA-N 1 2 242.326 2.990 20 30 BFEDLO CC(C)c1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790305199 585963365 /nfs/dbraw/zinc/96/33/65/585963365.db2.gz DMCUVWWNFHHYPS-UHFFFAOYSA-N 1 2 242.326 2.990 20 30 BFEDLO CCCCCCCCO[NH+]=C(N)[C@H](C)OC ZINC000790504983 585965795 /nfs/dbraw/zinc/96/57/95/585965795.db2.gz ZPPGGFVLYZFWKO-NSHDSACASA-N 1 2 230.352 2.880 20 30 BFEDLO C#CC[N@@H+](Cc1cc(OC)ccc1Cl)C1CC1 ZINC000792291063 585999275 /nfs/dbraw/zinc/99/92/75/585999275.db2.gz LFVAZTYZRDCTOV-UHFFFAOYSA-N 1 2 249.741 2.946 20 30 BFEDLO C#CC[N@H+](Cc1cc(OC)ccc1Cl)C1CC1 ZINC000792291063 585999276 /nfs/dbraw/zinc/99/92/76/585999276.db2.gz LFVAZTYZRDCTOV-UHFFFAOYSA-N 1 2 249.741 2.946 20 30 BFEDLO CC[C@@H](C)N=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000792643189 586003678 /nfs/dbraw/zinc/00/36/78/586003678.db2.gz QHYRTHUBTLHBFX-GFCCVEGCSA-N 1 2 245.370 2.766 20 30 BFEDLO CC(C)C[N@H+](CCC#N)Cc1ccnn1C(C)C ZINC000792768176 586004871 /nfs/dbraw/zinc/00/48/71/586004871.db2.gz XRQQWJBCZNDMTE-UHFFFAOYSA-N 1 2 248.374 2.836 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)Cc1ccnn1C(C)C ZINC000792768176 586004872 /nfs/dbraw/zinc/00/48/72/586004872.db2.gz XRQQWJBCZNDMTE-UHFFFAOYSA-N 1 2 248.374 2.836 20 30 BFEDLO C[C@@H]1CC[C@H](C/[NH+]=C/c2cccc(O)c2O)C1 ZINC000794846862 586050787 /nfs/dbraw/zinc/05/07/87/586050787.db2.gz FDYKOZVKHLZTJQ-JDTFSJQSSA-N 1 2 233.311 2.953 20 30 BFEDLO C[C@@H]1CC[C@@H](C/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000794847197 586050906 /nfs/dbraw/zinc/05/09/06/586050906.db2.gz FQBXPNGYLNYBBW-SAGHTCLTSA-N 1 2 249.310 2.659 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000795206528 586071691 /nfs/dbraw/zinc/07/16/91/586071691.db2.gz PKJPVUACPVEUCJ-UHFFFAOYSA-N 1 2 236.290 2.947 20 30 BFEDLO C=C(C)CCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000795204367 586071892 /nfs/dbraw/zinc/07/18/92/586071892.db2.gz JBMYXHIXOSRUCE-UHFFFAOYSA-N 1 2 240.253 2.778 20 30 BFEDLO N#CCC1(C/[NH+]=C/c2ccccc2O)CC1 ZINC000797399109 586126355 /nfs/dbraw/zinc/12/63/55/586126355.db2.gz ULWWLWAHVQJFDR-OQLLNIDSSA-N 1 2 214.268 2.505 20 30 BFEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccc(F)c(F)c2)c1 ZINC000798232279 586141226 /nfs/dbraw/zinc/14/12/26/586141226.db2.gz QANDVCRIJKTTLB-HWKANZROSA-N 1 2 248.232 2.594 20 30 BFEDLO C#C[C@@H](C)N(C)c1cc[nH+]c2c(OC)cccc12 ZINC000799323092 586172024 /nfs/dbraw/zinc/17/20/24/586172024.db2.gz QEEHFDFIQYTUSP-LLVKDONJSA-N 1 2 240.306 2.701 20 30 BFEDLO C[NH+](C)c1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000799722187 586194548 /nfs/dbraw/zinc/19/45/48/586194548.db2.gz KKYUBNHTZDORTG-AAEUAGOBSA-N 1 2 229.327 2.857 20 30 BFEDLO CN(C)c1ccc([NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000799722187 586194551 /nfs/dbraw/zinc/19/45/51/586194551.db2.gz KKYUBNHTZDORTG-AAEUAGOBSA-N 1 2 229.327 2.857 20 30 BFEDLO Cc1ccc(C)c(C(=O)/C=C/c2cn(C)c[nH+]2)c1 ZINC000800792269 586228401 /nfs/dbraw/zinc/22/84/01/586228401.db2.gz PRYSPLSLUAXUEN-VOTSOKGWSA-N 1 2 240.306 2.933 20 30 BFEDLO Oc1cccc(/C=[NH+]/CCC2(F)CCC2)c1O ZINC000806550282 586414081 /nfs/dbraw/zinc/41/40/81/586414081.db2.gz KGYUGIQEFWKUJW-OQLLNIDSSA-N 1 2 237.274 2.799 20 30 BFEDLO C#CC[N@H+](CC#CC)Cc1ccc(SC)s1 ZINC000811463846 586559660 /nfs/dbraw/zinc/55/96/60/586559660.db2.gz JCUMUTVFSXWKCR-UHFFFAOYSA-N 1 2 249.404 2.929 20 30 BFEDLO C#CC[N@@H+](CC#CC)Cc1ccc(SC)s1 ZINC000811463846 586559661 /nfs/dbraw/zinc/55/96/61/586559661.db2.gz JCUMUTVFSXWKCR-UHFFFAOYSA-N 1 2 249.404 2.929 20 30 BFEDLO C#C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000811516701 586560565 /nfs/dbraw/zinc/56/05/65/586560565.db2.gz UACYYWGWXLEPFH-CYBMUJFWSA-N 1 2 245.713 2.527 20 30 BFEDLO Cc1ccc(CCC=NOC2CCC2)c[nH+]1 ZINC000812235379 586570826 /nfs/dbraw/zinc/57/08/26/586570826.db2.gz FJNBZOUBYLARJS-UHFFFAOYSA-N 1 2 218.300 2.878 20 30 BFEDLO Oc1ccccc1/C=[NH+]\[C@@H]1C[C@H]1C1CCC1 ZINC000818991290 586920369 /nfs/dbraw/zinc/92/03/69/586920369.db2.gz BTFDZXFSHUXVRL-CPLSFFSOSA-N 1 2 215.296 3.000 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1C[C@H]1C1CCC1 ZINC000818991291 586920631 /nfs/dbraw/zinc/92/06/31/586920631.db2.gz BTFDZXFSHUXVRL-DZFVGJMKSA-N 1 2 215.296 3.000 20 30 BFEDLO C#CCCCOc1ccc[nH+]c1N1CC[C@@H](C)C1 ZINC000820675862 587065662 /nfs/dbraw/zinc/06/56/62/587065662.db2.gz KXNHOIMDGWASLG-CYBMUJFWSA-N 1 2 244.338 2.720 20 30 BFEDLO C#Cc1ccc(C[NH2+][C@H](CC)C(F)F)cc1 ZINC000824510771 587272806 /nfs/dbraw/zinc/27/28/06/587272806.db2.gz ZWMKYCJYHCVIRM-GFCCVEGCSA-N 1 2 223.266 2.801 20 30 BFEDLO C=CC[N@H+](Cc1nnc(C2CC2)s1)C(C)C ZINC000827437809 587381308 /nfs/dbraw/zinc/38/13/08/587381308.db2.gz AQSIBAKSLVUEJE-UHFFFAOYSA-N 1 2 237.372 2.812 20 30 BFEDLO C=CC[N@@H+](Cc1nnc(C2CC2)s1)C(C)C ZINC000827437809 587381310 /nfs/dbraw/zinc/38/13/10/587381310.db2.gz AQSIBAKSLVUEJE-UHFFFAOYSA-N 1 2 237.372 2.812 20 30 BFEDLO C#CC[N@@H+](CC#CC)C[C@@]1(C)CC1(Cl)Cl ZINC000827900118 587408777 /nfs/dbraw/zinc/40/87/77/587408777.db2.gz NTUXFDUGJDDPOJ-LLVKDONJSA-N 1 2 244.165 2.529 20 30 BFEDLO C#CC[N@H+](CC#CC)C[C@@]1(C)CC1(Cl)Cl ZINC000827900118 587408779 /nfs/dbraw/zinc/40/87/79/587408779.db2.gz NTUXFDUGJDDPOJ-LLVKDONJSA-N 1 2 244.165 2.529 20 30 BFEDLO C#Cc1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000829463136 587498752 /nfs/dbraw/zinc/49/87/52/587498752.db2.gz GYJVCVRLYWZDJN-UHFFFAOYSA-N 1 2 249.317 2.947 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](CCO)c1ccccc1F ZINC000830350635 587547293 /nfs/dbraw/zinc/54/72/93/587547293.db2.gz FARZPSSGQOENDT-GFCCVEGCSA-N 1 2 243.709 2.591 20 30 BFEDLO Cc1cc[nH+]cc1CCC=NOC(C)C ZINC000835001581 587777000 /nfs/dbraw/zinc/77/70/00/587777000.db2.gz HLZAYBMNGPKUDM-UHFFFAOYSA-N 1 2 206.289 2.733 20 30 BFEDLO CO[C@@H]1C[C@H](/[NH+]=C\c2ccccc2O)C12CCC2 ZINC000840710700 587917563 /nfs/dbraw/zinc/91/75/63/587917563.db2.gz LVALAUQJBZBDMM-IYFMVNHVSA-N 1 2 245.322 2.769 20 30 BFEDLO CC(C)(CC#N)C/[NH+]=C\c1ccccc1O ZINC000840710414 587917610 /nfs/dbraw/zinc/91/76/10/587917610.db2.gz JEXADRGQTHCUQJ-DHDCSXOGSA-N 1 2 216.284 2.751 20 30 BFEDLO C=C(Cl)C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000842852863 588070328 /nfs/dbraw/zinc/07/03/28/588070328.db2.gz YNJCPOVZOMXCDF-SNVBAGLBSA-N 1 2 239.750 2.623 20 30 BFEDLO C=C(C)CON=CCCc1ccc(C)[nH+]c1 ZINC000844617804 588208285 /nfs/dbraw/zinc/20/82/85/588208285.db2.gz CQQXTDCVFUZKFE-UHFFFAOYSA-N 1 2 218.300 2.901 20 30 BFEDLO CC#CCCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845517137 588231585 /nfs/dbraw/zinc/23/15/85/588231585.db2.gz QLYRWFQVRUTUQW-ZDUSSCGKSA-N 1 2 248.326 2.571 20 30 BFEDLO C=CC(C)(C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845583362 588234066 /nfs/dbraw/zinc/23/40/66/588234066.db2.gz CPRXHSRZJRSUQB-NSHDSACASA-N 1 2 236.315 2.590 20 30 BFEDLO C#C[C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000847020931 588302679 /nfs/dbraw/zinc/30/26/79/588302679.db2.gz GRKOOBYLXKPQCY-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO C#C[C@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000847020931 588302680 /nfs/dbraw/zinc/30/26/80/588302680.db2.gz GRKOOBYLXKPQCY-VIFPVBQESA-N 1 2 240.759 2.642 20 30 BFEDLO C[C@@H]1C[C@@H](C)CCC1=NNCCCn1cc[nH+]c1 ZINC000848417308 588381390 /nfs/dbraw/zinc/38/13/90/588381390.db2.gz UCDISTAKUDDHAD-QWHCGFSZSA-N 1 2 248.374 2.675 20 30 BFEDLO CC(CC(C)(C)C)=NNCCCn1cc[nH+]c1 ZINC000848416666 588381757 /nfs/dbraw/zinc/38/17/57/588381757.db2.gz UJWFUMWWLHUDOD-UHFFFAOYSA-N 1 2 236.363 2.675 20 30 BFEDLO COc1cccc(/C=[NH+]\CCC(C)(C)F)c1O ZINC000849172299 588459744 /nfs/dbraw/zinc/45/97/44/588459744.db2.gz POLDYMVPCZHYBC-DHDCSXOGSA-N 1 2 239.290 2.958 20 30 BFEDLO CC(C)(F)CC/[NH+]=C/c1cccc(O)c1O ZINC000849171688 588459928 /nfs/dbraw/zinc/45/99/28/588459928.db2.gz DLZJBWDPFKAVPU-RIYZIHGNSA-N 1 2 225.263 2.655 20 30 BFEDLO CC[C@H](/[NH+]=C\c1cccc(O)c1O)C1CC1 ZINC000849172147 588460080 /nfs/dbraw/zinc/46/00/80/588460080.db2.gz MYCQKYJEVPGPRZ-KSSSLANASA-N 1 2 219.284 2.705 20 30 BFEDLO CC1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCCC1 ZINC000108658526 588480684 /nfs/dbraw/zinc/48/06/84/588480684.db2.gz VKQWZDHDOQKGJM-OVCLIPMQSA-N 1 2 249.310 2.803 20 30 BFEDLO C=CC[NH+](CC=C)CC=C(Cl)Cl ZINC000851726829 588618100 /nfs/dbraw/zinc/61/81/00/588618100.db2.gz XLGRQXNMCIYVIP-UHFFFAOYSA-N 1 2 206.116 2.979 20 30 BFEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(F)n1 ZINC000851781121 588627611 /nfs/dbraw/zinc/62/76/11/588627611.db2.gz NLMZXBNFRQSRSV-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(F)n1 ZINC000851781121 588627612 /nfs/dbraw/zinc/62/76/12/588627612.db2.gz NLMZXBNFRQSRSV-UHFFFAOYSA-N 1 2 249.333 2.982 20 30 BFEDLO C#CC[N@@H+](Cc1cccc(OC)c1Cl)C1CC1 ZINC000851938559 588646112 /nfs/dbraw/zinc/64/61/12/588646112.db2.gz SWLNVUJFRSGTLQ-UHFFFAOYSA-N 1 2 249.741 2.946 20 30 BFEDLO C#CC[N@H+](Cc1cccc(OC)c1Cl)C1CC1 ZINC000851938559 588646113 /nfs/dbraw/zinc/64/61/13/588646113.db2.gz SWLNVUJFRSGTLQ-UHFFFAOYSA-N 1 2 249.741 2.946 20 30 BFEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000852099325 588662890 /nfs/dbraw/zinc/66/28/90/588662890.db2.gz JVNJFMFQJZIYRG-YGRLFVJLSA-N 1 2 249.358 2.820 20 30 BFEDLO C#C[C@](C)(CC)[NH2+]Cc1ncc(C(C)C)o1 ZINC000852102049 588663029 /nfs/dbraw/zinc/66/30/29/588663029.db2.gz KDLJIKJBMGAZEQ-CYBMUJFWSA-N 1 2 220.316 2.690 20 30 BFEDLO CC[N@H+](CC[C@@H]1CC1(Cl)Cl)[C@H](C)C#N ZINC000852645814 588692814 /nfs/dbraw/zinc/69/28/14/588692814.db2.gz LQMVHAJKIOYOAJ-RKDXNWHRSA-N 1 2 235.158 2.804 20 30 BFEDLO CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)[C@H](C)C#N ZINC000852645814 588692815 /nfs/dbraw/zinc/69/28/15/588692815.db2.gz LQMVHAJKIOYOAJ-RKDXNWHRSA-N 1 2 235.158 2.804 20 30 BFEDLO C=CC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000860899027 589127996 /nfs/dbraw/zinc/12/79/96/589127996.db2.gz RFQUTQJRENQSNQ-TZMCWYRMSA-N 1 2 247.338 2.797 20 30 BFEDLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000863455010 589289139 /nfs/dbraw/zinc/28/91/39/589289139.db2.gz SMWGERCZWYMCNI-PSASIEDQSA-N 1 2 238.718 2.633 20 30 BFEDLO C=CC(C)(C)CC/[NH+]=C\c1ccc(O)c(O)c1O ZINC000864345206 589354096 /nfs/dbraw/zinc/35/40/96/589354096.db2.gz QXQAPFSCANRJEU-DHDCSXOGSA-N 1 2 249.310 2.825 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1C[C@H]1C1CCOCC1 ZINC000864348213 589354345 /nfs/dbraw/zinc/35/43/45/589354345.db2.gz HEOFEOCNFRRIHD-ORDDCKFQSA-N 1 2 245.322 2.626 20 30 BFEDLO C[C@@H](C#N)[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000864354633 589355290 /nfs/dbraw/zinc/35/52/90/589355290.db2.gz FORONVMALLZFHP-SWLSCSKDSA-N 1 2 243.354 2.685 20 30 BFEDLO O=C(/C=C\c1cn(C2CC2)c[nH+]1)c1cncs1 ZINC000865220554 589414576 /nfs/dbraw/zinc/41/45/76/589414576.db2.gz MAZJGEKHQDSFQP-RJRFIUFISA-N 1 2 245.307 2.571 20 30 BFEDLO CC(C)Cc1cc(NCCCCC#N)nc[nH+]1 ZINC000865508932 589442155 /nfs/dbraw/zinc/44/21/55/589442155.db2.gz INONVTQIPXLPBO-UHFFFAOYSA-N 1 2 232.331 2.781 20 30 BFEDLO C#CCCCNc1cc(CCCC)[nH+]cn1 ZINC000865565296 589446789 /nfs/dbraw/zinc/44/67/89/589446789.db2.gz MAKARAUYVAOKPD-UHFFFAOYSA-N 1 2 217.316 2.645 20 30 BFEDLO CC[C@@H](CC#N)Nc1cc[nH+]cc1C(F)(F)F ZINC000865678596 589455936 /nfs/dbraw/zinc/45/59/36/589455936.db2.gz CLHUIYCUGXFUAF-QMMMGPOBSA-N 1 2 243.232 2.626 20 30 BFEDLO CCCNc1cc(NCC(C)(C)CC#N)nc[nH+]1 ZINC000865869914 589466213 /nfs/dbraw/zinc/46/62/13/589466213.db2.gz LOEZOTMASVZCKT-UHFFFAOYSA-N 1 2 247.346 2.650 20 30 BFEDLO CCCNc1cc(NCC(C)(C)CC#N)[nH+]cn1 ZINC000865869914 589466214 /nfs/dbraw/zinc/46/62/14/589466214.db2.gz LOEZOTMASVZCKT-UHFFFAOYSA-N 1 2 247.346 2.650 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1ccc([C@@H](C)O)c[nH+]1 ZINC000865952548 589469987 /nfs/dbraw/zinc/46/99/87/589469987.db2.gz MVPATOGFPWENMT-BNOWGMLFSA-N 1 2 244.338 2.822 20 30 BFEDLO C[C@H]([NH2+]CC1CCC1)c1cccc(C#N)c1O ZINC000866242636 589482543 /nfs/dbraw/zinc/48/25/43/589482543.db2.gz LKBZTNPKFYFOSA-JTQLQIEISA-N 1 2 230.311 2.715 20 30 BFEDLO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(C#N)c1O ZINC000866295514 589484594 /nfs/dbraw/zinc/48/45/94/589484594.db2.gz DVAJGXWADYNMMY-JQWIXIFHSA-N 1 2 244.338 2.961 20 30 BFEDLO C=CCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866351786 589487770 /nfs/dbraw/zinc/48/77/70/589487770.db2.gz MTFHRNCMIGTIME-LLVKDONJSA-N 1 2 230.311 2.881 20 30 BFEDLO C[C@H]([NH2+][C@@H]1C=CCC1)c1cccc(C#N)c1O ZINC000866388183 589489208 /nfs/dbraw/zinc/48/92/08/589489208.db2.gz CWMJRORYTFKCOC-CMPLNLGQSA-N 1 2 228.295 2.633 20 30 BFEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CC12CCC2 ZINC000871598641 589772373 /nfs/dbraw/zinc/77/23/73/589772373.db2.gz WIJBAPAYOURWBX-ZMTLZGASSA-N 1 2 201.269 2.754 20 30 BFEDLO C=C(C)CSCc1[nH+]ccn1CC(F)F ZINC000871698607 589793797 /nfs/dbraw/zinc/79/37/97/589793797.db2.gz DLAAMUKQVQXIGQ-UHFFFAOYSA-N 1 2 232.299 2.958 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872044411 589859711 /nfs/dbraw/zinc/85/97/11/589859711.db2.gz AUBISAQUXDDYMK-QMMMGPOBSA-N 1 2 229.682 2.934 20 30 BFEDLO C=C1CCC(C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000888597264 589897050 /nfs/dbraw/zinc/89/70/50/589897050.db2.gz KEYYWNCYVDXDPM-UHFFFAOYSA-N 1 2 246.310 2.775 20 30 BFEDLO C[C@@H]([NH2+]CCC#N)c1ccc(C(F)(F)F)nc1 ZINC000872249595 589899992 /nfs/dbraw/zinc/89/99/92/589899992.db2.gz YESNBOZLEDHKEU-MRVPVSSYSA-N 1 2 243.232 2.665 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1nc(Cl)cs1 ZINC000877363998 590319426 /nfs/dbraw/zinc/31/94/26/590319426.db2.gz JVWULRWQJWEJGE-SSDOTTSWSA-N 1 2 229.736 2.578 20 30 BFEDLO C#CC[C@H]([NH2+]Cc1nocc1C)c1ccccc1 ZINC000878363056 590554325 /nfs/dbraw/zinc/55/43/25/590554325.db2.gz PPXRJSJBHDVNIU-AWEZNQCLSA-N 1 2 240.306 2.837 20 30 BFEDLO C#CCCCCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000878716509 590615190 /nfs/dbraw/zinc/61/51/90/590615190.db2.gz ZSHGQYMGPPSFQP-UHFFFAOYSA-N 1 2 247.342 2.572 20 30 BFEDLO C#CCCCCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000878716509 590615192 /nfs/dbraw/zinc/61/51/92/590615192.db2.gz ZSHGQYMGPPSFQP-UHFFFAOYSA-N 1 2 247.342 2.572 20 30 BFEDLO C#CC(C)(C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000879604561 590826354 /nfs/dbraw/zinc/82/63/54/590826354.db2.gz BHWZWJCZYRTDQQ-UHFFFAOYSA-N 1 2 245.326 2.540 20 30 BFEDLO C=C(C)C[N@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737227 590857881 /nfs/dbraw/zinc/85/78/81/590857881.db2.gz GAYYGSRUHQTWDP-HNNXBMFYSA-N 1 2 247.338 2.645 20 30 BFEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737227 590857883 /nfs/dbraw/zinc/85/78/83/590857883.db2.gz GAYYGSRUHQTWDP-HNNXBMFYSA-N 1 2 247.338 2.645 20 30 BFEDLO C=CC(C)(C)CNc1nc[nH+]c(C)c1C ZINC000882417034 591345424 /nfs/dbraw/zinc/34/54/24/591345424.db2.gz JZWRXRJGQOAGRQ-UHFFFAOYSA-N 1 2 205.305 2.718 20 30 BFEDLO C=CC[C@H]([NH2+]Cc1cc(C)on1)c1ccncc1 ZINC000883003231 591504309 /nfs/dbraw/zinc/50/43/09/591504309.db2.gz FPNDIESAENJFGB-AWEZNQCLSA-N 1 2 243.310 2.785 20 30 BFEDLO C=C(C)C[C@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000883005791 591506617 /nfs/dbraw/zinc/50/66/17/591506617.db2.gz YMXROQZCGGQFNQ-CYBMUJFWSA-N 1 2 249.358 2.558 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1ccc(SC)o1 ZINC000883014826 591514294 /nfs/dbraw/zinc/51/42/94/591514294.db2.gz BKQGHQOICLSJDF-UHFFFAOYSA-N 1 2 217.721 2.844 20 30 BFEDLO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(C#N)c1O ZINC000883245829 591586891 /nfs/dbraw/zinc/58/68/91/591586891.db2.gz SOCBVMRFZAKAAK-NWDGAFQWSA-N 1 2 242.322 2.881 20 30 BFEDLO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cccc(C#N)c1O ZINC000883245828 591587018 /nfs/dbraw/zinc/58/70/18/591587018.db2.gz SOCBVMRFZAKAAK-NEPJUHHUSA-N 1 2 242.322 2.881 20 30 BFEDLO Cc1cc(N[C@H]2CC[C@@H](C#N)C2)c[nH+]c1C ZINC000883342792 591622794 /nfs/dbraw/zinc/62/27/94/591622794.db2.gz MPJCVUDGYCPZLS-NEPJUHHUSA-N 1 2 215.300 2.803 20 30 BFEDLO CC[C@H](CC#N)[NH2+]Cc1cccnc1Cl ZINC000135039768 591975437 /nfs/dbraw/zinc/97/54/37/591975437.db2.gz NQGIKWSPOFOSOY-SNVBAGLBSA-N 1 2 223.707 2.517 20 30 BFEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(CC)n1 ZINC000884560285 591980634 /nfs/dbraw/zinc/98/06/34/591980634.db2.gz SKJQURFGUYZLRH-TXEJJXNPSA-N 1 2 229.327 2.726 20 30 BFEDLO C=CC[C@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000884569488 591983073 /nfs/dbraw/zinc/98/30/73/591983073.db2.gz OSSJOQZXLSMWMX-NSHDSACASA-N 1 2 244.294 2.764 20 30 BFEDLO C=CC[N@@H+](CCC#N)CCOC1CCCCC1 ZINC000886215629 592178456 /nfs/dbraw/zinc/17/84/56/592178456.db2.gz OHPNRPRNHIWLKG-UHFFFAOYSA-N 1 2 236.359 2.737 20 30 BFEDLO C=CC[N@H+](CCC#N)CCOC1CCCCC1 ZINC000886215629 592178458 /nfs/dbraw/zinc/17/84/58/592178458.db2.gz OHPNRPRNHIWLKG-UHFFFAOYSA-N 1 2 236.359 2.737 20 30 BFEDLO C[C@H](C#N)[N@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000886278848 592197169 /nfs/dbraw/zinc/19/71/69/592197169.db2.gz KISOLCUHDNPAFH-QKCSRTOESA-N 1 2 218.344 2.799 20 30 BFEDLO C[C@H](C#N)[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000886278848 592197170 /nfs/dbraw/zinc/19/71/70/592197170.db2.gz KISOLCUHDNPAFH-QKCSRTOESA-N 1 2 218.344 2.799 20 30 BFEDLO C#CC[C@H]1CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000886365340 592219982 /nfs/dbraw/zinc/21/99/82/592219982.db2.gz GKRBGUZLERCYRK-DZGCQCFKSA-N 1 2 224.307 2.596 20 30 BFEDLO C#CC[C@H]1CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000886365340 592219984 /nfs/dbraw/zinc/21/99/84/592219984.db2.gz GKRBGUZLERCYRK-DZGCQCFKSA-N 1 2 224.307 2.596 20 30 BFEDLO C[C@@H]1CC[N@H+](CC#N)[C@H]1c1ccccc1 ZINC000886545855 592255969 /nfs/dbraw/zinc/25/59/69/592255969.db2.gz UGBHKAYHJOTTPF-DGCLKSJQSA-N 1 2 200.285 2.593 20 30 BFEDLO C[C@@H]1CC[N@@H+](CC#N)[C@H]1c1ccccc1 ZINC000886545855 592255973 /nfs/dbraw/zinc/25/59/73/592255973.db2.gz UGBHKAYHJOTTPF-DGCLKSJQSA-N 1 2 200.285 2.593 20 30 BFEDLO Cc1csc(C[C@@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000886698732 592305121 /nfs/dbraw/zinc/30/51/21/592305121.db2.gz MEAJSGGPYPWYAL-LBPRGKRZSA-N 1 2 249.383 2.620 20 30 BFEDLO Cc1csc(C[C@@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000886698732 592305126 /nfs/dbraw/zinc/30/51/26/592305126.db2.gz MEAJSGGPYPWYAL-LBPRGKRZSA-N 1 2 249.383 2.620 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C[C@H]1C=CCC1 ZINC000887268286 592472865 /nfs/dbraw/zinc/47/28/65/592472865.db2.gz HVBKENMYBWSTLK-IWQAVIMZSA-N 1 2 201.269 2.777 20 30 BFEDLO Oc1ccccc1/C=[NH+]/C1CCC2(COC2)CC1 ZINC000887270636 592474222 /nfs/dbraw/zinc/47/42/22/592474222.db2.gz QKJMWMOXZHYFDG-CXUHLZMHSA-N 1 2 245.322 2.770 20 30 BFEDLO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H](C)C#N ZINC000887313985 592480094 /nfs/dbraw/zinc/48/00/94/592480094.db2.gz PFTRGXHWBTXVST-OCCSQVGLSA-N 1 2 216.328 2.755 20 30 BFEDLO CCCCCCCC(=O)NCc1ccc(N)[nH+]c1 ZINC000308376793 631314071 /nfs/dbraw/zinc/31/40/71/631314071.db2.gz NSUXNIOPEQRSSP-UHFFFAOYSA-N 1 2 249.358 2.641 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nnc(C)s1 ZINC000934460922 631852563 /nfs/dbraw/zinc/85/25/63/631852563.db2.gz LBIYWPNATQXRFF-SCZZXKLOSA-N 1 2 223.345 2.558 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nnc(C)s1 ZINC000934460922 631852566 /nfs/dbraw/zinc/85/25/66/631852566.db2.gz LBIYWPNATQXRFF-SCZZXKLOSA-N 1 2 223.345 2.558 20 30 BFEDLO C=C(Cl)C[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000309526841 632469968 /nfs/dbraw/zinc/46/99/68/632469968.db2.gz CSHDUHGPSABPKX-JTQLQIEISA-N 1 2 235.718 2.737 20 30 BFEDLO CC(C)c1ccc(C[NH2+]CCC#N)cc1[N+](=O)[O-] ZINC000346740037 636302593 /nfs/dbraw/zinc/30/25/93/636302593.db2.gz MLCOQWATCCIDOG-UHFFFAOYSA-N 1 2 247.298 2.721 20 30 BFEDLO C=CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000907634372 638425668 /nfs/dbraw/zinc/42/56/68/638425668.db2.gz BBMGNTBIPHBGCX-UHFFFAOYSA-N 1 2 232.327 2.655 20 30 BFEDLO C#C[C@@H](CCC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907708159 638451809 /nfs/dbraw/zinc/45/18/09/638451809.db2.gz WIPVHRTVTWLSAW-ZDUSSCGKSA-N 1 2 244.338 2.539 20 30 BFEDLO Cc1cc(C)[nH+]c(CN([C@H](C)C#N)C2CC2)c1 ZINC000930971956 640008227 /nfs/dbraw/zinc/00/82/27/640008227.db2.gz BEIROVJIKHJTLO-GFCCVEGCSA-N 1 2 229.327 2.575 20 30 BFEDLO CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@@H](C)C#N ZINC000931057054 640041884 /nfs/dbraw/zinc/04/18/84/640041884.db2.gz SURSPCQOTKOGRD-MMWGEVLESA-N 1 2 228.286 2.512 20 30 BFEDLO CC[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@@H](C)C#N ZINC000931057054 640041887 /nfs/dbraw/zinc/04/18/87/640041887.db2.gz SURSPCQOTKOGRD-MMWGEVLESA-N 1 2 228.286 2.512 20 30 BFEDLO CC[N@H+](CC1CCC(C#N)CC1)[C@@H](C)C#N ZINC000931057069 640043933 /nfs/dbraw/zinc/04/39/33/640043933.db2.gz UBCPAGGJNKMDGD-HIFPTAJRSA-N 1 2 219.332 2.550 20 30 BFEDLO CC[N@@H+](CC1CCC(C#N)CC1)[C@@H](C)C#N ZINC000931057069 640043934 /nfs/dbraw/zinc/04/39/34/640043934.db2.gz UBCPAGGJNKMDGD-HIFPTAJRSA-N 1 2 219.332 2.550 20 30 BFEDLO C#CCCCCCC[N@H+](C)Cc1cn[nH]c1C ZINC000931415372 640186444 /nfs/dbraw/zinc/18/64/44/640186444.db2.gz BFFLPSKXGNMSMN-UHFFFAOYSA-N 1 2 233.359 2.734 20 30 BFEDLO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC#N ZINC000932279057 640470690 /nfs/dbraw/zinc/47/06/90/640470690.db2.gz UJSIOVDQWWOCSG-TZMCWYRMSA-N 1 2 214.312 2.778 20 30 BFEDLO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC#N ZINC000932279057 640470694 /nfs/dbraw/zinc/47/06/94/640470694.db2.gz UJSIOVDQWWOCSG-TZMCWYRMSA-N 1 2 214.312 2.778 20 30 BFEDLO C#CC[N@H+](Cc1ncc(C(C)C)o1)C(C)C ZINC000932385982 640513679 /nfs/dbraw/zinc/51/36/79/640513679.db2.gz MUTOLVGWIIGIPF-UHFFFAOYSA-N 1 2 220.316 2.642 20 30 BFEDLO C#CC[N@@H+](Cc1ncc(C(C)C)o1)C(C)C ZINC000932385982 640513682 /nfs/dbraw/zinc/51/36/82/640513682.db2.gz MUTOLVGWIIGIPF-UHFFFAOYSA-N 1 2 220.316 2.642 20 30 BFEDLO C[C@H]1C(=O)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000932843796 640614919 /nfs/dbraw/zinc/61/49/19/640614919.db2.gz CVTBVDZHERFDNF-LBPRGKRZSA-N 1 2 236.359 2.760 20 30 BFEDLO C[C@H]1C(=O)CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000932843796 640614921 /nfs/dbraw/zinc/61/49/21/640614921.db2.gz CVTBVDZHERFDNF-LBPRGKRZSA-N 1 2 236.359 2.760 20 30 BFEDLO C=CCC(C)(C)c1noc([C@H](C)[NH+](C)C)n1 ZINC000349726141 640753611 /nfs/dbraw/zinc/75/36/11/640753611.db2.gz WSASNFRNFHPKSD-VIFPVBQESA-N 1 2 223.320 2.546 20 30 BFEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(C(C)(C)C)no1 ZINC000934471309 641164707 /nfs/dbraw/zinc/16/47/07/641164707.db2.gz LCZCTSBQBCCDAK-JTQLQIEISA-N 1 2 235.331 2.518 20 30 BFEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000934471309 641164711 /nfs/dbraw/zinc/16/47/11/641164711.db2.gz LCZCTSBQBCCDAK-JTQLQIEISA-N 1 2 235.331 2.518 20 30 BFEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000934511337 641178761 /nfs/dbraw/zinc/17/87/61/641178761.db2.gz SHPWSAKCMGFCES-CQSZACIVSA-N 1 2 242.297 2.685 20 30 BFEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000934511337 641178762 /nfs/dbraw/zinc/17/87/62/641178762.db2.gz SHPWSAKCMGFCES-CQSZACIVSA-N 1 2 242.297 2.685 20 30 BFEDLO CC[N@H+](CC#N)CC1CCC2(CC2)CC1 ZINC000929463792 641326947 /nfs/dbraw/zinc/32/69/47/641326947.db2.gz HOFCFNSZXFUQIS-UHFFFAOYSA-N 1 2 206.333 2.802 20 30 BFEDLO CC[N@@H+](CC#N)CC1CCC2(CC2)CC1 ZINC000929463792 641326954 /nfs/dbraw/zinc/32/69/54/641326954.db2.gz HOFCFNSZXFUQIS-UHFFFAOYSA-N 1 2 206.333 2.802 20 30 BFEDLO CCCCCCCCC[NH+]1CCS(=O)CC1 ZINC000192018346 641956515 /nfs/dbraw/zinc/95/65/15/641956515.db2.gz KHBRBGXWPHGOPO-UHFFFAOYSA-N 1 2 245.432 2.801 20 30 BFEDLO C=CC[N@@H+](Cc1nc(CCCC)no1)C(C)C ZINC000917071360 642004621 /nfs/dbraw/zinc/00/46/21/642004621.db2.gz RQSAAJUNWBNRDC-UHFFFAOYSA-N 1 2 237.347 2.809 20 30 BFEDLO C=CC[N@H+](Cc1nc(CCCC)no1)C(C)C ZINC000917071360 642004623 /nfs/dbraw/zinc/00/46/23/642004623.db2.gz RQSAAJUNWBNRDC-UHFFFAOYSA-N 1 2 237.347 2.809 20 30 BFEDLO C[C@@H](C/[NH+]=C/c1ccccc1O)C1CC1 ZINC000920176876 642447946 /nfs/dbraw/zinc/44/79/46/642447946.db2.gz AUNGMTUGPGIXTM-RSYJBZMQSA-N 1 2 203.285 2.857 20 30 BFEDLO COc1ccc2[nH+]ccc(N(C)CCC#N)c2c1 ZINC000891402892 642478020 /nfs/dbraw/zinc/47/80/20/642478020.db2.gz YWBQTQXMRDWUSO-UHFFFAOYSA-N 1 2 241.294 2.593 20 30 BFEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccncc1 ZINC000182241314 642974355 /nfs/dbraw/zinc/97/43/55/642974355.db2.gz JNSFOVFPQROFJW-SNAWJCMRSA-N 1 2 249.273 2.625 20 30 BFEDLO CC(C)C[N@H+](CCC#N)CCC(F)(F)F ZINC000070206426 643459605 /nfs/dbraw/zinc/45/96/05/643459605.db2.gz LEYPFPXLWQOJCU-UHFFFAOYSA-N 1 2 222.254 2.810 20 30 BFEDLO CC(C)C[N@@H+](CCC#N)CCC(F)(F)F ZINC000070206426 643459615 /nfs/dbraw/zinc/45/96/15/643459615.db2.gz LEYPFPXLWQOJCU-UHFFFAOYSA-N 1 2 222.254 2.810 20 30 BFEDLO C=C(Cl)C[NH2+]Cc1cc(F)ccc1F ZINC000082599620 643514847 /nfs/dbraw/zinc/51/48/47/643514847.db2.gz WZGLRTHZSPVQJU-UHFFFAOYSA-N 1 2 217.646 2.807 20 30 BFEDLO C=C(Cl)C[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000817282299 644969507 /nfs/dbraw/zinc/96/95/07/644969507.db2.gz YRPIISJLJVTAPM-GHMZBOCLSA-N 1 2 217.740 2.628 20 30 BFEDLO C=C(Cl)C[N@H+]1CC(C)(C)OC[C@H]1CC ZINC000844383700 645324956 /nfs/dbraw/zinc/32/49/56/645324956.db2.gz MHIMBRREFPOSNW-SNVBAGLBSA-N 1 2 217.740 2.628 20 30 BFEDLO C=C(Cl)C[N@@H+]1CC(C)(C)OC[C@H]1CC ZINC000844383700 645324970 /nfs/dbraw/zinc/32/49/70/645324970.db2.gz MHIMBRREFPOSNW-SNVBAGLBSA-N 1 2 217.740 2.628 20 30 BFEDLO C=C[C@H](C)O[NH+]=C(C)c1cc(N)ccc1F ZINC000844620558 645343041 /nfs/dbraw/zinc/34/30/41/645343041.db2.gz MARRFDCROHCEDD-QMMMGPOBSA-N 1 2 222.263 2.723 20 30 BFEDLO Oc1ccccc1/C=[NH+]\CC[C@@H]1CCCOC1 ZINC000864344869 645713090 /nfs/dbraw/zinc/71/30/90/645713090.db2.gz ISSOYEBUUODXKL-GQVHDAKQSA-N 1 2 233.311 2.628 20 30 BFEDLO CC1=CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877496541 645799685 /nfs/dbraw/zinc/79/96/85/645799685.db2.gz UQZNKWGUIKPYIZ-UHFFFAOYSA-N 1 2 247.729 2.759 20 30 BFEDLO CC1=CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877496541 645799687 /nfs/dbraw/zinc/79/96/87/645799687.db2.gz UQZNKWGUIKPYIZ-UHFFFAOYSA-N 1 2 247.729 2.759 20 30 BFEDLO C=CCC(C)(C)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000924080494 645974453 /nfs/dbraw/zinc/97/44/53/645974453.db2.gz WSASNFRNFHPKSD-SECBINFHSA-N 1 2 223.320 2.546 20 30 BFEDLO Cc1nc(C)c(C[N@@H+](CCC#N)CC(C)C)o1 ZINC000723628589 711527182 /nfs/dbraw/zinc/52/71/82/711527182.db2.gz YHVGCNDXOGKMTB-UHFFFAOYSA-N 1 2 235.331 2.663 20 30 BFEDLO Cc1nc(C)c(C[N@H+](CCC#N)CC(C)C)o1 ZINC000723628589 711527184 /nfs/dbraw/zinc/52/71/84/711527184.db2.gz YHVGCNDXOGKMTB-UHFFFAOYSA-N 1 2 235.331 2.663 20 30 BFEDLO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(C#N)c1O ZINC000924797985 646110086 /nfs/dbraw/zinc/11/00/86/646110086.db2.gz LISXNALAWCRGPP-SUHUHFCYSA-N 1 2 244.338 2.961 20 30 BFEDLO Cc1cc(C#N)cc(C)c1C[N@H+](C)CCC#N ZINC000929809309 646329658 /nfs/dbraw/zinc/32/96/58/646329658.db2.gz NUXRQAJPWPBTFU-UHFFFAOYSA-N 1 2 227.311 2.521 20 30 BFEDLO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCC#N ZINC000929809309 646329663 /nfs/dbraw/zinc/32/96/63/646329663.db2.gz NUXRQAJPWPBTFU-UHFFFAOYSA-N 1 2 227.311 2.521 20 30 BFEDLO COc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1C ZINC000929830142 646347297 /nfs/dbraw/zinc/34/72/97/646347297.db2.gz AOMZWCCNAYYMSR-NSHDSACASA-N 1 2 232.327 2.738 20 30 BFEDLO COc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1C ZINC000929830142 646347301 /nfs/dbraw/zinc/34/73/01/646347301.db2.gz AOMZWCCNAYYMSR-NSHDSACASA-N 1 2 232.327 2.738 20 30 BFEDLO N#CC1(CCCCn2cc[nH+]c2)CCC1 ZINC000929866080 646366667 /nfs/dbraw/zinc/36/66/67/646366667.db2.gz NVPKFVIAUKHVPH-UHFFFAOYSA-N 1 2 203.289 2.747 20 30 BFEDLO Cc1cc(C)[nH+]c(CN(C[C@@H](C)C#N)C2CC2)c1 ZINC000930086035 646426307 /nfs/dbraw/zinc/42/63/07/646426307.db2.gz JNTQFVXXRTVLNZ-LBPRGKRZSA-N 1 2 243.354 2.823 20 30 BFEDLO COc1ccc[nH+]c1N[C@H](C)CC(C)(C)C#N ZINC000925956951 646549021 /nfs/dbraw/zinc/54/90/21/646549021.db2.gz SYTVMCBUKDLIGU-SNVBAGLBSA-N 1 2 233.315 2.830 20 30 BFEDLO C=C/C=C/CC[N@H+](CC#N)C1CCCC1 ZINC000713646535 712468571 /nfs/dbraw/zinc/46/85/71/712468571.db2.gz PZCITUOTRGDTGD-ONEGZZNKSA-N 1 2 204.317 2.887 20 30 BFEDLO C=C/C=C/CC[N@@H+](CC#N)C1CCCC1 ZINC000713646535 712468572 /nfs/dbraw/zinc/46/85/72/712468572.db2.gz PZCITUOTRGDTGD-ONEGZZNKSA-N 1 2 204.317 2.887 20 30 BFEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccncc1Cl ZINC000903107022 710892539 /nfs/dbraw/zinc/89/25/39/710892539.db2.gz ZMLRHERJPDRZEA-SECBINFHSA-N 1 2 235.718 2.689 20 30 BFEDLO CO[C@H](C[N@@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000385935235 711020715 /nfs/dbraw/zinc/02/07/15/711020715.db2.gz DZEGSDBYDPMQML-DZGCQCFKSA-N 1 2 244.338 2.610 20 30 BFEDLO CO[C@H](C[N@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000385935235 711020716 /nfs/dbraw/zinc/02/07/16/711020716.db2.gz DZEGSDBYDPMQML-DZGCQCFKSA-N 1 2 244.338 2.610 20 30 BFEDLO C#CC[N@H+](Cc1ccnc(Cl)c1F)C(C)C ZINC000897170565 711784783 /nfs/dbraw/zinc/78/47/83/711784783.db2.gz BMOWRRSRODAKES-UHFFFAOYSA-N 1 2 240.709 2.718 20 30 BFEDLO C#CC[N@@H+](Cc1ccnc(Cl)c1F)C(C)C ZINC000897170565 711784784 /nfs/dbraw/zinc/78/47/84/711784784.db2.gz BMOWRRSRODAKES-UHFFFAOYSA-N 1 2 240.709 2.718 20 30 BFEDLO C[C@H]1c2sccc2CC[N@H+]1CCC#N ZINC000712263320 712344916 /nfs/dbraw/zinc/34/49/16/712344916.db2.gz SPSDUOIQZYZGAN-VIFPVBQESA-N 1 2 206.314 2.581 20 30 BFEDLO C[C@H]1c2sccc2CC[N@@H+]1CCC#N ZINC000712263320 712344917 /nfs/dbraw/zinc/34/49/17/712344917.db2.gz SPSDUOIQZYZGAN-VIFPVBQESA-N 1 2 206.314 2.581 20 30 BFEDLO O=C1c2ccc(F)cc2CC/C1=C\c1[nH]cc[nH+]1 ZINC000747441275 712404542 /nfs/dbraw/zinc/40/45/42/712404542.db2.gz ZUAMYWVRNSOCJW-CSKARUKUSA-N 1 2 242.253 2.761 20 30 BFEDLO C(=NOC1CCC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000812234889 712585758 /nfs/dbraw/zinc/58/57/58/712585758.db2.gz ALNXIVBUXSDYMI-UHFFFAOYSA-N 1 2 247.323 2.837 20 30 BFEDLO C=CC(C)(C)C[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000385059090 712708238 /nfs/dbraw/zinc/70/82/38/712708238.db2.gz SYBKRJLZQVGQPQ-SNVBAGLBSA-N 1 2 227.348 2.518 20 30 BFEDLO CC[N@H+](CCC#N)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720819369 712868214 /nfs/dbraw/zinc/86/82/14/712868214.db2.gz CVOLQHPXHKNNKW-LBPRGKRZSA-N 1 2 244.338 2.746 20 30 BFEDLO CC[N@@H+](CCC#N)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720819369 712868217 /nfs/dbraw/zinc/86/82/17/712868217.db2.gz CVOLQHPXHKNNKW-LBPRGKRZSA-N 1 2 244.338 2.746 20 30 BFEDLO C=CCCCCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209423407 957445218 /nfs/dbraw/zinc/44/52/18/957445218.db2.gz OWPDIXGZIBIZBK-GFCCVEGCSA-N 1 2 227.323 2.736 20 30 BFEDLO C=CCCCCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209423407 957445235 /nfs/dbraw/zinc/44/52/35/957445235.db2.gz OWPDIXGZIBIZBK-GFCCVEGCSA-N 1 2 227.323 2.736 20 30 BFEDLO C=CCCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001209431079 957460110 /nfs/dbraw/zinc/46/01/10/957460110.db2.gz GZCALLWMYAEBSB-LBPRGKRZSA-N 1 2 247.329 2.825 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cc(F)c(O)c(F)c1 ZINC001140991741 960777828 /nfs/dbraw/zinc/77/78/28/960777828.db2.gz XMHVKLMDPPZJFF-UHFFFAOYSA-N 1 2 239.265 2.844 20 30 BFEDLO CCCC[N@H+](CCC#N)Cc1cnccc1C ZINC001141035385 960824311 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ZINC001172721971 974906135 /nfs/dbraw/zinc/90/61/35/974906135.db2.gz LZOOEMRJLNJDBX-YGRLFVJLSA-N 1 2 246.741 2.653 20 30 BFEDLO N#C[C@H]1CC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721971 974906142 /nfs/dbraw/zinc/90/61/42/974906142.db2.gz LZOOEMRJLNJDBX-YGRLFVJLSA-N 1 2 246.741 2.653 20 30 BFEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172926607 974972384 /nfs/dbraw/zinc/97/23/84/974972384.db2.gz CCFCGCSGFMHWIF-RWMBFGLXSA-N 1 2 224.348 2.616 20 30 BFEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001172927818 974974375 /nfs/dbraw/zinc/97/43/75/974974375.db2.gz GVBGUEYEBVYWDE-VXGBXAGGSA-N 1 2 224.348 2.616 20 30 BFEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591089 975438703 /nfs/dbraw/zinc/43/87/03/975438703.db2.gz RYHRDBNCQQPOQV-ROKHWSDSSA-N 1 2 233.359 2.987 20 30 BFEDLO C#Cc1cc(Nc2ccc3[nH]ccc3c2)cc[nH+]1 ZINC001173935687 976069050 /nfs/dbraw/zinc/06/90/50/976069050.db2.gz DDRQLYMMEWMSSN-UHFFFAOYSA-N 1 2 233.274 2.710 20 30 BFEDLO C=CCc1ccc(O)c(OC2C[NH+](C(C)C)C2)c1 ZINC001229341316 976841546 /nfs/dbraw/zinc/84/15/46/976841546.db2.gz HYGBJLBBYCIGRN-UHFFFAOYSA-N 1 2 247.338 2.592 20 30 BFEDLO C=C[C@H](C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229951430 977031835 /nfs/dbraw/zinc/03/18/35/977031835.db2.gz RLXJKELQWPUXER-NSHDSACASA-N 1 2 214.268 2.826 20 30 BFEDLO C#Cc1cc(Nc2cc(C)ccc2C)cc[nH+]1 ZINC001175162582 977312495 /nfs/dbraw/zinc/31/24/95/977312495.db2.gz JGHARMOTXUPROV-UHFFFAOYSA-N 1 2 222.291 2.845 20 30 BFEDLO Cc1csc(N=C2CCC[N@@H+](C)C2)c1C#N ZINC001175574437 977570208 /nfs/dbraw/zinc/57/02/08/977570208.db2.gz WQVHMWOFYIBNSW-UHFFFAOYSA-N 1 2 233.340 2.560 20 30 BFEDLO Cc1csc(N=C2CCC[N@H+](C)C2)c1C#N ZINC001175574437 977570224 /nfs/dbraw/zinc/57/02/24/977570224.db2.gz WQVHMWOFYIBNSW-UHFFFAOYSA-N 1 2 233.340 2.560 20 30 BFEDLO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001231625185 977653734 /nfs/dbraw/zinc/65/37/34/977653734.db2.gz OYXVYXCLFVZYNR-AWEZNQCLSA-N 1 2 242.322 2.597 20 30 BFEDLO C=CCOc1cccc(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001231625185 977653742 /nfs/dbraw/zinc/65/37/42/977653742.db2.gz OYXVYXCLFVZYNR-AWEZNQCLSA-N 1 2 242.322 2.597 20 30 BFEDLO COc1cc[nH+]cc1Nc1ccc(CC#N)cc1 ZINC001176121414 977950082 /nfs/dbraw/zinc/95/00/82/977950082.db2.gz UNQOXFQSQWZXMX-UHFFFAOYSA-N 1 2 239.278 2.900 20 30 BFEDLO COc1cc[nH+]cc1Nc1ccc(F)cc1C#N ZINC001176122635 977955023 /nfs/dbraw/zinc/95/50/23/977955023.db2.gz FQHRKZFXHBOBSW-UHFFFAOYSA-N 1 2 243.241 2.845 20 30 BFEDLO C=CCn1cc(Nc2cc(C)cc(C)[nH+]2)cn1 ZINC001176542102 978101188 /nfs/dbraw/zinc/10/11/88/978101188.db2.gz NOPJNGXFYJOIAB-UHFFFAOYSA-N 1 2 228.299 2.825 20 30 BFEDLO C#Cc1cc(Nc2ccccc2Cl)cc[nH+]1 ZINC001176551592 978124474 /nfs/dbraw/zinc/12/44/74/978124474.db2.gz ZFRLCVFAIHUHFS-UHFFFAOYSA-N 1 2 228.682 2.882 20 30 BFEDLO CCCC[N@H+](CC)Cc1cc(C#N)ccc1O ZINC001232674019 978230011 /nfs/dbraw/zinc/23/00/11/978230011.db2.gz PNSBBACBBOFFPD-UHFFFAOYSA-N 1 2 232.327 2.886 20 30 BFEDLO CCCC[N@@H+](CC)Cc1cc(C#N)ccc1O ZINC001232674019 978230021 /nfs/dbraw/zinc/23/00/21/978230021.db2.gz PNSBBACBBOFFPD-UHFFFAOYSA-N 1 2 232.327 2.886 20 30 BFEDLO C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673728 978233629 /nfs/dbraw/zinc/23/36/29/978233629.db2.gz LXRRCZGOZALHOM-LLVKDONJSA-N 1 2 230.311 2.638 20 30 BFEDLO C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673728 978233643 /nfs/dbraw/zinc/23/36/43/978233643.db2.gz LXRRCZGOZALHOM-LLVKDONJSA-N 1 2 230.311 2.638 20 30 BFEDLO CC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232679183 978239837 /nfs/dbraw/zinc/23/98/37/978239837.db2.gz GFWNHCNMOGWXGT-ZDUSSCGKSA-N 1 2 230.311 2.638 20 30 BFEDLO CC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232679183 978239847 /nfs/dbraw/zinc/23/98/47/978239847.db2.gz GFWNHCNMOGWXGT-ZDUSSCGKSA-N 1 2 230.311 2.638 20 30 BFEDLO CCC[N@H+](CCC#N)Cc1cc(C)cc(O)c1 ZINC001232885014 978326182 /nfs/dbraw/zinc/32/61/82/978326182.db2.gz WUNXJPSUMHHFAQ-UHFFFAOYSA-N 1 2 232.327 2.826 20 30 BFEDLO CCC[N@@H+](CCC#N)Cc1cc(C)cc(O)c1 ZINC001232885014 978326187 /nfs/dbraw/zinc/32/61/87/978326187.db2.gz WUNXJPSUMHHFAQ-UHFFFAOYSA-N 1 2 232.327 2.826 20 30 BFEDLO Cc1cc(F)cc(N2CCC(CC#N)CC2)[nH+]1 ZINC001339659510 978888520 /nfs/dbraw/zinc/88/85/20/978888520.db2.gz ISLKOFLXAHSHGU-UHFFFAOYSA-N 1 2 233.290 2.659 20 30 BFEDLO C#C[C@H](C)[N@@H+](C)Cc1c(F)cccc1OCC ZINC001181297002 979034233 /nfs/dbraw/zinc/03/42/33/979034233.db2.gz ISCSGTLTHJHPKY-NSHDSACASA-N 1 2 235.302 2.678 20 30 BFEDLO C#C[C@H](C)[N@H+](C)Cc1c(F)cccc1OCC ZINC001181297002 979034237 /nfs/dbraw/zinc/03/42/37/979034237.db2.gz ISCSGTLTHJHPKY-NSHDSACASA-N 1 2 235.302 2.678 20 30 BFEDLO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCN[C@H](C#N)C1 ZINC001235912450 979200651 /nfs/dbraw/zinc/20/06/51/979200651.db2.gz FAHDVGTXURSWQQ-HUUCEWRRSA-N 1 2 249.402 2.556 20 30 BFEDLO CC(C)=CCC[C@@H](C)CC[N@H+]1CCN[C@H](C#N)C1 ZINC001235912450 979200660 /nfs/dbraw/zinc/20/06/60/979200660.db2.gz FAHDVGTXURSWQQ-HUUCEWRRSA-N 1 2 249.402 2.556 20 30 BFEDLO N#Cc1c[nH]c2ccc(-c3ccc(N)[nH+]c3)cc12 ZINC001236313066 979522160 /nfs/dbraw/zinc/52/21/60/979522160.db2.gz HINZYEVDUKPYBW-UHFFFAOYSA-N 1 2 234.262 2.684 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236899321 979788776 /nfs/dbraw/zinc/78/87/76/979788776.db2.gz SDGWIFDXPNIRML-JTQLQIEISA-N 1 2 244.269 2.917 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236899321 979788785 /nfs/dbraw/zinc/78/87/85/979788785.db2.gz SDGWIFDXPNIRML-JTQLQIEISA-N 1 2 244.269 2.917 20 30 BFEDLO Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@H](C#N)C1 ZINC001237324064 979865981 /nfs/dbraw/zinc/86/59/81/979865981.db2.gz ZMGHHFPZXVSZHS-GFCCVEGCSA-N 1 2 232.302 2.788 20 30 BFEDLO Cc1cc(F)cc(C)c1C[N@H+]1CC[C@H](C#N)C1 ZINC001237324064 979865984 /nfs/dbraw/zinc/86/59/84/979865984.db2.gz ZMGHHFPZXVSZHS-GFCCVEGCSA-N 1 2 232.302 2.788 20 30 BFEDLO C=CC[N@@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC001237945471 980113174 /nfs/dbraw/zinc/11/31/74/980113174.db2.gz LICCREIIFKYIQQ-UHFFFAOYSA-N 1 2 236.262 2.780 20 30 BFEDLO C=CC[N@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC001237945471 980113180 /nfs/dbraw/zinc/11/31/80/980113180.db2.gz LICCREIIFKYIQQ-UHFFFAOYSA-N 1 2 236.262 2.780 20 30 BFEDLO CCOc1cc(C[N@@H+]2CC[C@@H](C#N)C2)ccc1C ZINC001238070258 980136122 /nfs/dbraw/zinc/13/61/22/980136122.db2.gz HITCPSNHCUFRAZ-AWEZNQCLSA-N 1 2 244.338 2.739 20 30 BFEDLO CCOc1cc(C[N@H+]2CC[C@@H](C#N)C2)ccc1C ZINC001238070258 980136128 /nfs/dbraw/zinc/13/61/28/980136128.db2.gz HITCPSNHCUFRAZ-AWEZNQCLSA-N 1 2 244.338 2.739 20 30 BFEDLO CCOc1ccc(C)c(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001238709304 980313446 /nfs/dbraw/zinc/31/34/46/980313446.db2.gz UVKVJIZDUNLQTL-CYBMUJFWSA-N 1 2 244.338 2.739 20 30 BFEDLO CCOc1ccc(C)c(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001238709304 980313453 /nfs/dbraw/zinc/31/34/53/980313453.db2.gz UVKVJIZDUNLQTL-CYBMUJFWSA-N 1 2 244.338 2.739 20 30 BFEDLO C#CC[N@@H+](C)Cc1cc(F)cc(C)c1Cl ZINC001238781083 980324008 /nfs/dbraw/zinc/32/40/08/980324008.db2.gz KCWQIHBOMUMASL-UHFFFAOYSA-N 1 2 225.694 2.853 20 30 BFEDLO C#CC[N@H+](C)Cc1cc(F)cc(C)c1Cl ZINC001238781083 980324010 /nfs/dbraw/zinc/32/40/10/980324010.db2.gz KCWQIHBOMUMASL-UHFFFAOYSA-N 1 2 225.694 2.853 20 30 BFEDLO Cc1cnc(-c2ccc3[nH+]ccn3c2)c(C#N)c1 ZINC001240213544 981162075 /nfs/dbraw/zinc/16/20/75/981162075.db2.gz DNKRENCJIJDLRT-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1nc(-c2ccc3[nH+]ccn3c2)ccc1CC#N ZINC001240216670 981167927 /nfs/dbraw/zinc/16/79/27/981167927.db2.gz LBTHQWCMJNKWDK-UHFFFAOYSA-N 1 2 248.289 2.771 20 30 BFEDLO Cc1cc(C#N)c(-c2ccn3cc[nH+]c3c2)nc1C ZINC001240496240 981416957 /nfs/dbraw/zinc/41/69/57/981416957.db2.gz JHUOWGXKCHVYRJ-UHFFFAOYSA-N 1 2 248.289 2.885 20 30 BFEDLO Cc1ccc(C#N)nc1-c1ccn2cc[nH+]c2c1 ZINC001240497160 981419175 /nfs/dbraw/zinc/41/91/75/981419175.db2.gz ZNMJPGPDLBXDOJ-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1cc(-c2cc[nH+]c(N)c2)cc(C)c1C#N ZINC001241162248 982304256 /nfs/dbraw/zinc/30/42/56/982304256.db2.gz GWZJJQKDOVOIMR-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO C=C(C)C[N@H+]1CCCC[C@@H]1c1cc(C)[nH]n1 ZINC001198122793 982661104 /nfs/dbraw/zinc/66/11/04/982661104.db2.gz XMJYYXLHQZMTMC-CYBMUJFWSA-N 1 2 219.332 2.821 20 30 BFEDLO N#Cc1cccc(Cl)c1Nc1ccc(N)[nH+]c1 ZINC001201285124 983159979 /nfs/dbraw/zinc/15/99/79/983159979.db2.gz AOZNUGBLSACUHI-UHFFFAOYSA-N 1 2 244.685 2.932 20 30 BFEDLO N#CCc1cc(Nc2ccc(N)[nH+]c2)ccc1F ZINC001201300915 983180154 /nfs/dbraw/zinc/18/01/54/983180154.db2.gz ZMLUICUWZPUPDI-UHFFFAOYSA-N 1 2 242.257 2.613 20 30 BFEDLO N#Cc1c(F)ccc(F)c1Nc1ccc(N)[nH+]c1 ZINC001201295878 983181510 /nfs/dbraw/zinc/18/15/10/983181510.db2.gz VPLKCLLBJRCYON-UHFFFAOYSA-N 1 2 246.220 2.557 20 30 BFEDLO O=C1C=C2C[N@@H+](C[C@H]3CC=CCC3)CC[C@H]2S1 ZINC001201408332 983208342 /nfs/dbraw/zinc/20/83/42/983208342.db2.gz DAVMQVDHWBZGJK-WCQYABFASA-N 1 2 249.379 2.617 20 30 BFEDLO O=C1C=C2C[N@H+](C[C@H]3CC=CCC3)CC[C@H]2S1 ZINC001201408332 983208347 /nfs/dbraw/zinc/20/83/47/983208347.db2.gz DAVMQVDHWBZGJK-WCQYABFASA-N 1 2 249.379 2.617 20 30 BFEDLO Cc1cn2c(cccc2-c2cccnc2C#N)[nH+]1 ZINC001242309300 983536413 /nfs/dbraw/zinc/53/64/13/983536413.db2.gz AHNAOUFXHVOLSV-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1cc(-c2cccnc2C#N)cn2cc[nH+]c12 ZINC001242310380 983537770 /nfs/dbraw/zinc/53/77/70/983537770.db2.gz IZAQOWKIZCTKLN-UHFFFAOYSA-N 1 2 234.262 2.576 20 30 BFEDLO Cc1ccc(C2=CC(=O)CC(C)(C)C2)[nH+]c1N ZINC001242314835 983547357 /nfs/dbraw/zinc/54/73/57/983547357.db2.gz ZXDRENKLNAJKMY-UHFFFAOYSA-N 1 2 230.311 2.745 20 30 BFEDLO Cc1cc(-c2cnc(C#N)c(C)c2)c2[nH+]ccn2c1 ZINC001242356057 983636809 /nfs/dbraw/zinc/63/68/09/983636809.db2.gz GQZLMVMSXVBYEI-UHFFFAOYSA-N 1 2 248.289 2.885 20 30 BFEDLO Cc1cc(C#N)cc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001242475837 983802522 /nfs/dbraw/zinc/80/25/22/983802522.db2.gz RBADDJZJQOKTKU-UHFFFAOYSA-N 1 2 234.262 2.757 20 30 BFEDLO Cc1cc(-c2ccc(F)cc2C#N)c[nH+]c1N ZINC001242582686 983896340 /nfs/dbraw/zinc/89/63/40/983896340.db2.gz JCFMZPWFUOKLMZ-UHFFFAOYSA-N 1 2 227.242 2.650 20 30 BFEDLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)c(C#N)c1 ZINC001242593324 983920409 /nfs/dbraw/zinc/92/04/09/983920409.db2.gz LTMHZTOLUBSDCH-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO C[C@@H]1CC(=O)C=C(c2ccn3cc[nH+]c3c2)C1 ZINC001242739166 984086649 /nfs/dbraw/zinc/08/66/49/984086649.db2.gz IMNDISFCTUYCEE-JTQLQIEISA-N 1 2 226.279 2.717 20 30 BFEDLO N#CC1(c2ccc(-c3ccc[nH+]c3N)cc2)CC1 ZINC001243419969 984895328 /nfs/dbraw/zinc/89/53/28/984895328.db2.gz GWZVXSQAGVODIY-UHFFFAOYSA-N 1 2 235.290 2.886 20 30 BFEDLO N#Cc1ccc2c(c1)nccc2-c1ccc[nH+]c1N ZINC001243474520 985027817 /nfs/dbraw/zinc/02/78/17/985027817.db2.gz MYAJJMTWGZWZTJ-UHFFFAOYSA-N 1 2 246.273 2.751 20 30 BFEDLO Cc1cc(NC2=CC[C@H](C#N)CC2)nc(C)[nH+]1 ZINC001212853748 985229936 /nfs/dbraw/zinc/22/99/36/985229936.db2.gz HRMZFKGGVSZAPV-NSHDSACASA-N 1 2 228.299 2.713 20 30 BFEDLO Cc1cc(NC2=CC[C@@H](C#N)CC2)nc(C)[nH+]1 ZINC001212853747 985230766 /nfs/dbraw/zinc/23/07/66/985230766.db2.gz HRMZFKGGVSZAPV-LLVKDONJSA-N 1 2 228.299 2.713 20 30 BFEDLO CSCC[C@@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001258203637 985614451 /nfs/dbraw/zinc/61/44/51/985614451.db2.gz HAVSMFVQTKOXMG-LLVKDONJSA-N 1 2 226.389 2.944 20 30 BFEDLO N#Cc1cc2c(nc1C1=C[NH2+]CCC1)CCCC2 ZINC001243949070 985634096 /nfs/dbraw/zinc/63/40/96/985634096.db2.gz PLXNCGQOPFXZKL-UHFFFAOYSA-N 1 2 239.322 2.556 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1cccc(OC2CC2)c1F ZINC001461724641 986129219 /nfs/dbraw/zinc/12/92/19/986129219.db2.gz OUYKEMZZWFTIGN-SNVBAGLBSA-N 1 2 248.301 2.759 20 30 BFEDLO Cc1ccc(-c2ccc(C)c(C#N)c2)[nH+]c1N ZINC001244481375 986167124 /nfs/dbraw/zinc/16/71/24/986167124.db2.gz CCBYCFKNCWLTRP-UHFFFAOYSA-N 1 2 223.279 2.819 20 30 BFEDLO Cc1ccc(-c2nc3c(ccn3C)c[nH+]2)cc1C#N ZINC001244482276 986169114 /nfs/dbraw/zinc/16/91/14/986169114.db2.gz MRRDSLSALHRWKC-UHFFFAOYSA-N 1 2 248.289 2.815 20 30 BFEDLO N#Cc1c(Cl)cccc1-c1cc[nH+]c(N)c1 ZINC001244724002 986320008 /nfs/dbraw/zinc/32/00/08/986320008.db2.gz JKOXMOIKEPGTME-UHFFFAOYSA-N 1 2 229.670 2.856 20 30 BFEDLO Cc1c(C#N)cccc1-c1ccc[nH+]c1N ZINC001244815139 986350975 /nfs/dbraw/zinc/35/09/75/986350975.db2.gz KBZWXHLYGOKCTA-UHFFFAOYSA-N 1 2 209.252 2.511 20 30 BFEDLO Cc1cc(-c2ccc3c(C#N)c[nH]c3c2)c[nH+]c1N ZINC001245537948 986921040 /nfs/dbraw/zinc/92/10/40/986921040.db2.gz HYQMVISAGKTRGK-UHFFFAOYSA-N 1 2 248.289 2.992 20 30 BFEDLO CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CC#N ZINC001473631158 987506186 /nfs/dbraw/zinc/50/61/86/987506186.db2.gz LXQVTCKTQDJAKJ-OAHLLOKOSA-N 1 2 228.339 2.997 20 30 BFEDLO CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC#N ZINC001473631158 987506194 /nfs/dbraw/zinc/50/61/94/987506194.db2.gz LXQVTCKTQDJAKJ-OAHLLOKOSA-N 1 2 228.339 2.997 20 30 BFEDLO C[C@H](CC#N)[NH2+]Cc1ccccc1OCC1CC1 ZINC001474251259 987668289 /nfs/dbraw/zinc/66/82/89/987668289.db2.gz UFOQBWXKEVBSHL-GFCCVEGCSA-N 1 2 244.338 2.867 20 30 BFEDLO CCC#C[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001322122729 988134664 /nfs/dbraw/zinc/13/46/64/988134664.db2.gz MIYMOUWZVVCHAR-GFCCVEGCSA-N 1 2 247.386 2.941 20 30 BFEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001322122729 988134676 /nfs/dbraw/zinc/13/46/76/988134676.db2.gz MIYMOUWZVVCHAR-GFCCVEGCSA-N 1 2 247.386 2.941 20 30 BFEDLO N#CCC1C[NH+](Cc2c3ccoc3ccc2F)C1 ZINC001248524217 989112018 /nfs/dbraw/zinc/11/20/18/989112018.db2.gz SLEINEGFOSOCJK-UHFFFAOYSA-N 1 2 244.269 2.917 20 30 BFEDLO C=CC[N@@H+](C)Cc1ncc(C(F)(F)F)cc1F ZINC001248789548 989144426 /nfs/dbraw/zinc/14/44/26/989144426.db2.gz DUXPYLPQQOBAFK-UHFFFAOYSA-N 1 2 248.223 2.857 20 30 BFEDLO C=CC[N@H+](C)Cc1ncc(C(F)(F)F)cc1F ZINC001248789548 989144431 /nfs/dbraw/zinc/14/44/31/989144431.db2.gz DUXPYLPQQOBAFK-UHFFFAOYSA-N 1 2 248.223 2.857 20 30 BFEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817639 989170956 /nfs/dbraw/zinc/17/09/56/989170956.db2.gz DNSACSZRRXBVQS-SNVBAGLBSA-N 1 2 243.285 2.652 20 30 BFEDLO N#C[C@H]1CC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817639 989170964 /nfs/dbraw/zinc/17/09/64/989170964.db2.gz DNSACSZRRXBVQS-SNVBAGLBSA-N 1 2 243.285 2.652 20 30 BFEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817638 989174185 /nfs/dbraw/zinc/17/41/85/989174185.db2.gz DNSACSZRRXBVQS-JTQLQIEISA-N 1 2 243.285 2.652 20 30 BFEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817638 989174191 /nfs/dbraw/zinc/17/41/91/989174191.db2.gz DNSACSZRRXBVQS-JTQLQIEISA-N 1 2 243.285 2.652 20 30 BFEDLO C=C(C)C[N@@H+](CC)Cc1cc(C)sn1 ZINC001249588706 989320508 /nfs/dbraw/zinc/32/05/08/989320508.db2.gz MTHLDLPQKUPINC-UHFFFAOYSA-N 1 2 210.346 2.850 20 30 BFEDLO C=C(C)C[N@H+](CC)Cc1cc(C)sn1 ZINC001249588706 989320522 /nfs/dbraw/zinc/32/05/22/989320522.db2.gz MTHLDLPQKUPINC-UHFFFAOYSA-N 1 2 210.346 2.850 20 30 BFEDLO Cc1cc(C)nc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC001119810053 989413561 /nfs/dbraw/zinc/41/35/61/989413561.db2.gz IZDGEEONOOFPJM-OAHLLOKOSA-N 1 2 243.354 2.824 20 30 BFEDLO Cc1cc(C)nc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC001119810053 989413578 /nfs/dbraw/zinc/41/35/78/989413578.db2.gz IZDGEEONOOFPJM-OAHLLOKOSA-N 1 2 243.354 2.824 20 30 BFEDLO C=CCC(CC=C)C(=O)OCc1c[nH+]cn1CC ZINC001123474469 990588955 /nfs/dbraw/zinc/58/89/55/990588955.db2.gz ZUHDLJBPDHSTRJ-UHFFFAOYSA-N 1 2 248.326 2.715 20 30 BFEDLO C=CC[NH+](CC=C)Cc1ccc(OC)cc1C#N ZINC001137704660 990842461 /nfs/dbraw/zinc/84/24/61/990842461.db2.gz PCODJKIVYUSVEO-UHFFFAOYSA-N 1 2 242.322 2.741 20 30 BFEDLO CC(C)=CCC[C@H](C)[NH2+]C1(C#N)CCOCC1 ZINC001258086681 990988978 /nfs/dbraw/zinc/98/89/78/990988978.db2.gz XJVXGSIRBUUWGZ-ZDUSSCGKSA-N 1 2 236.359 2.784 20 30 BFEDLO C=C(C)COc1ccccc1C[N@H+](C)CC(C)=O ZINC001138661594 990998234 /nfs/dbraw/zinc/99/82/34/990998234.db2.gz DNFLPJISKHLXCI-UHFFFAOYSA-N 1 2 247.338 2.662 20 30 BFEDLO C=C(C)COc1ccccc1C[N@@H+](C)CC(C)=O ZINC001138661594 990998243 /nfs/dbraw/zinc/99/82/43/990998243.db2.gz DNFLPJISKHLXCI-UHFFFAOYSA-N 1 2 247.338 2.662 20 30 BFEDLO C[N@H+](CCC#N)Cc1ccc2occc2c1 ZINC001138822993 991076478 /nfs/dbraw/zinc/07/64/78/991076478.db2.gz WZJUVFWUKDUZEY-UHFFFAOYSA-N 1 2 214.268 2.778 20 30 BFEDLO C[N@@H+](CCC#N)Cc1ccc2occc2c1 ZINC001138822993 991076483 /nfs/dbraw/zinc/07/64/83/991076483.db2.gz WZJUVFWUKDUZEY-UHFFFAOYSA-N 1 2 214.268 2.778 20 30 BFEDLO CSCC[C@H](C)[N@@H+]1CCCC[C@H]1C#N ZINC001258222212 991151043 /nfs/dbraw/zinc/15/10/43/991151043.db2.gz LNROBRZWLPDWDN-QWRGUYRKSA-N 1 2 212.362 2.506 20 30 BFEDLO CSCC[C@H](C)[N@H+]1CCCC[C@H]1C#N ZINC001258222212 991151056 /nfs/dbraw/zinc/15/10/56/991151056.db2.gz LNROBRZWLPDWDN-QWRGUYRKSA-N 1 2 212.362 2.506 20 30 BFEDLO Cc1cccc2[nH]cc(C[N@H+](C)CCC#N)c21 ZINC001139191453 991189709 /nfs/dbraw/zinc/18/97/09/991189709.db2.gz RYCIWDACHHWIEK-UHFFFAOYSA-N 1 2 227.311 2.822 20 30 BFEDLO Cc1cccc2[nH]cc(C[N@@H+](C)CCC#N)c21 ZINC001139191453 991189724 /nfs/dbraw/zinc/18/97/24/991189724.db2.gz RYCIWDACHHWIEK-UHFFFAOYSA-N 1 2 227.311 2.822 20 30 BFEDLO C=CC[NH+](CC=C)Cc1cnccc1OCC ZINC001139631640 991299684 /nfs/dbraw/zinc/29/96/84/991299684.db2.gz ZUDUGTWCHPEJBY-UHFFFAOYSA-N 1 2 232.327 2.654 20 30 BFEDLO CC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1C#N ZINC001258844746 991880627 /nfs/dbraw/zinc/88/06/27/991880627.db2.gz RGNVCGPJIINSTM-GJZGRUSLSA-N 1 2 228.339 2.996 20 30 BFEDLO CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H]1C#N ZINC001258844746 991880631 /nfs/dbraw/zinc/88/06/31/991880631.db2.gz RGNVCGPJIINSTM-GJZGRUSLSA-N 1 2 228.339 2.996 20 30 BFEDLO C=CC[N@@H+](Cc1cc(C)n[nH]1)Cc1cccs1 ZINC001320475890 992214147 /nfs/dbraw/zinc/21/41/47/992214147.db2.gz RKZUFLQLQVIVPU-UHFFFAOYSA-N 1 2 247.367 2.968 20 30 BFEDLO C=CC[N@H+](Cc1cc(C)n[nH]1)Cc1cccs1 ZINC001320475890 992214158 /nfs/dbraw/zinc/21/41/58/992214158.db2.gz RKZUFLQLQVIVPU-UHFFFAOYSA-N 1 2 247.367 2.968 20 30 BFEDLO C#CC[N@@H+](Cc1ccc(C)nc1Cl)CC1CC1 ZINC001261637090 992429757 /nfs/dbraw/zinc/42/97/57/992429757.db2.gz HJYYEIKERPACIN-UHFFFAOYSA-N 1 2 248.757 2.889 20 30 BFEDLO C#CC[N@H+](Cc1ccc(C)nc1Cl)CC1CC1 ZINC001261637090 992429763 /nfs/dbraw/zinc/42/97/63/992429763.db2.gz HJYYEIKERPACIN-UHFFFAOYSA-N 1 2 248.757 2.889 20 30 BFEDLO C=C(CC)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001291584771 994582103 /nfs/dbraw/zinc/58/21/03/994582103.db2.gz DOQBUTVWTVDFLL-UHFFFAOYSA-N 1 2 241.294 2.777 20 30 BFEDLO