smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[N@@H+](C)CCCNC(=O)CC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001298677087 1064466252 /nfs/dbraw/zinc/46/62/52/1064466252.db2.gz OKQQBMIHAYBBBK-UHFFFAOYSA-N 2 1 456.631 3.007 20 30 JGEDMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001298727797 1064537432 /nfs/dbraw/zinc/53/74/32/1064537432.db2.gz IRUQNRATGHZOTN-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001298727797 1064537442 /nfs/dbraw/zinc/53/74/42/1064537442.db2.gz IRUQNRATGHZOTN-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298727797 1064537452 /nfs/dbraw/zinc/53/74/52/1064537452.db2.gz IRUQNRATGHZOTN-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298727797 1064537465 /nfs/dbraw/zinc/53/74/65/1064537465.db2.gz IRUQNRATGHZOTN-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302191238 1066674242 /nfs/dbraw/zinc/67/42/42/1066674242.db2.gz WIDGNXAOAYTEJD-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302191238 1066674248 /nfs/dbraw/zinc/67/42/48/1066674248.db2.gz WIDGNXAOAYTEJD-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)[N@H+](C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001303263444 1067790668 /nfs/dbraw/zinc/79/06/68/1067790668.db2.gz CTGUCESAFKUDRL-UHFFFAOYSA-N 2 1 458.614 3.264 20 30 JGEDMP CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001303263444 1067790675 /nfs/dbraw/zinc/79/06/75/1067790675.db2.gz CTGUCESAFKUDRL-UHFFFAOYSA-N 2 1 458.614 3.264 20 30 JGEDMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001303268794 1067797383 /nfs/dbraw/zinc/79/73/83/1067797383.db2.gz MSLHFQYTQXNRFT-XMMPIXPASA-N 2 1 465.646 3.444 20 30 JGEDMP CC(C)[NH+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303268794 1067797393 /nfs/dbraw/zinc/79/73/93/1067797393.db2.gz MSLHFQYTQXNRFT-XMMPIXPASA-N 2 1 465.646 3.444 20 30 JGEDMP CC(C)[NH+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303268794 1067797399 /nfs/dbraw/zinc/79/73/99/1067797399.db2.gz MSLHFQYTQXNRFT-XMMPIXPASA-N 2 1 465.646 3.444 20 30 JGEDMP CC(C)N1CC[NH+](C2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)C[NH+](C)C)CC2)CC1 ZINC001303317364 1067845844 /nfs/dbraw/zinc/84/58/44/1067845844.db2.gz WCGZMJRHDHNVOB-UHFFFAOYSA-N 2 1 492.716 3.399 20 30 JGEDMP CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305049955 1068111219 /nfs/dbraw/zinc/11/12/19/1068111219.db2.gz KTMJIWUKYOHPLO-QFIPXVFZSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302161277 1066619830 /nfs/dbraw/zinc/61/98/30/1066619830.db2.gz WTKMKFLOCNYENU-UHFFFAOYSA-N 2 1 479.673 3.173 20 30 JGEDMP CC(C)(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302161277 1066619834 /nfs/dbraw/zinc/61/98/34/1066619834.db2.gz WTKMKFLOCNYENU-UHFFFAOYSA-N 2 1 479.673 3.173 20 30 JGEDMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302191023 1066673318 /nfs/dbraw/zinc/67/33/18/1066673318.db2.gz NIBOITQNBNLICV-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302191023 1066673321 /nfs/dbraw/zinc/67/33/21/1066673321.db2.gz NIBOITQNBNLICV-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302936247 1067509829 /nfs/dbraw/zinc/50/98/29/1067509829.db2.gz AYNIHDVIWPQEEE-AREMUKBSSA-N 2 1 481.714 3.498 20 30 JGEDMP CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001303277020 1067804441 /nfs/dbraw/zinc/80/44/41/1067804441.db2.gz QLYYGLZJKSNBNK-XMMPIXPASA-N 2 1 465.646 3.444 20 30 JGEDMP CC(C)[NH+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303277020 1067804453 /nfs/dbraw/zinc/80/44/53/1067804453.db2.gz QLYYGLZJKSNBNK-XMMPIXPASA-N 2 1 465.646 3.444 20 30 JGEDMP CC(C)[NH+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303277020 1067804465 /nfs/dbraw/zinc/80/44/65/1067804465.db2.gz QLYYGLZJKSNBNK-XMMPIXPASA-N 2 1 465.646 3.444 20 30 JGEDMP CC(C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001303277632 1067805311 /nfs/dbraw/zinc/80/53/11/1067805311.db2.gz VKBOYNXDRYXNPT-DEOSSOPVSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[NH+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303277632 1067805316 /nfs/dbraw/zinc/80/53/16/1067805316.db2.gz VKBOYNXDRYXNPT-DEOSSOPVSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[NH+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303277632 1067805325 /nfs/dbraw/zinc/80/53/25/1067805325.db2.gz VKBOYNXDRYXNPT-DEOSSOPVSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001305207664 1068335915 /nfs/dbraw/zinc/33/59/15/1068335915.db2.gz WJQQHJXBPVGACE-NRFANRHFSA-N 2 1 465.646 3.380 20 30 JGEDMP CC(C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001305207664 1068335932 /nfs/dbraw/zinc/33/59/32/1068335932.db2.gz WJQQHJXBPVGACE-NRFANRHFSA-N 2 1 465.646 3.380 20 30 JGEDMP CC(C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001305207664 1068335950 /nfs/dbraw/zinc/33/59/50/1068335950.db2.gz WJQQHJXBPVGACE-NRFANRHFSA-N 2 1 465.646 3.380 20 30 JGEDMP CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001305620568 1068906361 /nfs/dbraw/zinc/90/63/61/1068906361.db2.gz MNOVWVQYEUHFQK-HBMCJLEFSA-N 2 1 453.635 3.378 20 30 JGEDMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001305620568 1068906365 /nfs/dbraw/zinc/90/63/65/1068906365.db2.gz MNOVWVQYEUHFQK-HBMCJLEFSA-N 2 1 453.635 3.378 20 30 JGEDMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001305620568 1068906368 /nfs/dbraw/zinc/90/63/68/1068906368.db2.gz MNOVWVQYEUHFQK-HBMCJLEFSA-N 2 1 453.635 3.378 20 30 JGEDMP CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC[NH+]1CCSCC1 ZINC001302080286 1066495975 /nfs/dbraw/zinc/49/59/75/1066495975.db2.gz SBQWKRYDYHNZKS-UHFFFAOYSA-N 2 1 467.687 3.208 20 30 JGEDMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001302191150 1066673380 /nfs/dbraw/zinc/67/33/80/1066673380.db2.gz SBKJDOQHIQIDMZ-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001302811828 1067399360 /nfs/dbraw/zinc/39/93/60/1067399360.db2.gz LOKOCYBCESRWSA-BWKNWUBXSA-N 2 1 479.673 3.483 20 30 JGEDMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302936250 1067509789 /nfs/dbraw/zinc/50/97/89/1067509789.db2.gz AYNIHDVIWPQEEE-SANMLTNESA-N 2 1 481.714 3.498 20 30 JGEDMP CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001303262906 1067790260 /nfs/dbraw/zinc/79/02/60/1067790260.db2.gz IFZGFBJZMHNVCD-UHFFFAOYSA-N 2 1 453.635 3.094 20 30 JGEDMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001303262906 1067790268 /nfs/dbraw/zinc/79/02/68/1067790268.db2.gz IFZGFBJZMHNVCD-UHFFFAOYSA-N 2 1 453.635 3.094 20 30 JGEDMP CC(C)[NH+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001303262906 1067790277 /nfs/dbraw/zinc/79/02/77/1067790277.db2.gz IFZGFBJZMHNVCD-UHFFFAOYSA-N 2 1 453.635 3.094 20 30 JGEDMP CC(C)[NH+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001303262906 1067790283 /nfs/dbraw/zinc/79/02/83/1067790283.db2.gz IFZGFBJZMHNVCD-UHFFFAOYSA-N 2 1 453.635 3.094 20 30 JGEDMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001303311146 1067840028 /nfs/dbraw/zinc/84/00/28/1067840028.db2.gz RSDXUGNDRPKAGX-UHFFFAOYSA-N 2 1 453.635 3.237 20 30 JGEDMP C[C@H]1CCC[N@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305053332 1068117593 /nfs/dbraw/zinc/11/75/93/1068117593.db2.gz YHBJZEWTXXECMY-NRFANRHFSA-N 2 1 465.646 3.096 20 30 JGEDMP C[C@H]1CCC[N@@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305053332 1068117599 /nfs/dbraw/zinc/11/75/99/1068117599.db2.gz YHBJZEWTXXECMY-NRFANRHFSA-N 2 1 465.646 3.096 20 30 JGEDMP C[C@H]1CCC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305053332 1068117602 /nfs/dbraw/zinc/11/76/02/1068117602.db2.gz YHBJZEWTXXECMY-NRFANRHFSA-N 2 1 465.646 3.096 20 30 JGEDMP C[C@H]1CCC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305053332 1068117606 /nfs/dbraw/zinc/11/76/06/1068117606.db2.gz YHBJZEWTXXECMY-NRFANRHFSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC001305219225 1068356276 /nfs/dbraw/zinc/35/62/76/1068356276.db2.gz ADBLTGCDAPTABM-HSZRJFAPSA-N 2 1 495.672 3.150 20 30 JGEDMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001305219225 1068356282 /nfs/dbraw/zinc/35/62/82/1068356282.db2.gz ADBLTGCDAPTABM-HSZRJFAPSA-N 2 1 495.672 3.150 20 30 JGEDMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001305219225 1068356296 /nfs/dbraw/zinc/35/62/96/1068356296.db2.gz ADBLTGCDAPTABM-HSZRJFAPSA-N 2 1 495.672 3.150 20 30 JGEDMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001305508465 1068746933 /nfs/dbraw/zinc/74/69/33/1068746933.db2.gz HDBJNWAWJAGECD-HSZRJFAPSA-N 2 1 479.673 3.488 20 30 JGEDMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001303205554 1067742920 /nfs/dbraw/zinc/74/29/20/1067742920.db2.gz QYJODWWXHCDGJJ-RUZDIDTESA-N 2 1 495.672 3.006 20 30 JGEDMP CC(C)C[NH+]1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001303205554 1067742924 /nfs/dbraw/zinc/74/29/24/1067742924.db2.gz QYJODWWXHCDGJJ-RUZDIDTESA-N 2 1 495.672 3.006 20 30 JGEDMP CC(C)C[NH+]1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001303205554 1067742929 /nfs/dbraw/zinc/74/29/29/1067742929.db2.gz QYJODWWXHCDGJJ-RUZDIDTESA-N 2 1 495.672 3.006 20 30 JGEDMP CC(C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001303278666 1067807859 /nfs/dbraw/zinc/80/78/59/1067807859.db2.gz MSELCRZUPURWLA-JOCHJYFZSA-N 2 1 451.619 3.134 20 30 JGEDMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001303397453 1067926484 /nfs/dbraw/zinc/92/64/84/1067926484.db2.gz KEAOJTUFXRPIAD-UHFFFAOYSA-N 2 1 494.688 3.119 20 30 JGEDMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001305048686 1068108021 /nfs/dbraw/zinc/10/80/21/1068108021.db2.gz LIAXMAHDOZONED-QFIPXVFZSA-N 2 1 465.646 3.381 20 30 JGEDMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305048686 1068108024 /nfs/dbraw/zinc/10/80/24/1068108024.db2.gz LIAXMAHDOZONED-QFIPXVFZSA-N 2 1 465.646 3.381 20 30 JGEDMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305048686 1068108029 /nfs/dbraw/zinc/10/80/29/1068108029.db2.gz LIAXMAHDOZONED-QFIPXVFZSA-N 2 1 465.646 3.381 20 30 JGEDMP C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001303700393 1068243311 /nfs/dbraw/zinc/24/33/11/1068243311.db2.gz PVCNUWLPWQZEGQ-NGYIFUPDSA-N 2 1 475.645 3.020 20 30 JGEDMP CC(C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001305207666 1068335812 /nfs/dbraw/zinc/33/58/12/1068335812.db2.gz WJQQHJXBPVGACE-OAQYLSRUSA-N 2 1 465.646 3.380 20 30 JGEDMP CC(C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001305207666 1068335824 /nfs/dbraw/zinc/33/58/24/1068335824.db2.gz WJQQHJXBPVGACE-OAQYLSRUSA-N 2 1 465.646 3.380 20 30 JGEDMP CC(C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001305207666 1068335839 /nfs/dbraw/zinc/33/58/39/1068335839.db2.gz WJQQHJXBPVGACE-OAQYLSRUSA-N 2 1 465.646 3.380 20 30 JGEDMP CC(C)[NH+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC001305207848 1068336015 /nfs/dbraw/zinc/33/60/15/1068336015.db2.gz XCPOSHUIFBPAIU-RDGATRHJSA-N 2 1 495.672 3.004 20 30 JGEDMP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305607647 1068876591 /nfs/dbraw/zinc/87/65/91/1068876591.db2.gz NCCFACRTPPNPMD-FQEVSTJZSA-N 2 1 489.672 3.220 20 30 JGEDMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305607647 1068876599 /nfs/dbraw/zinc/87/65/99/1068876599.db2.gz NCCFACRTPPNPMD-FQEVSTJZSA-N 2 1 489.672 3.220 20 30 JGEDMP COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001301727834 1066645843 /nfs/dbraw/zinc/64/58/43/1066645843.db2.gz LFSYTVJCXJUFQM-ISKFKSNPSA-N 2 1 479.673 3.486 20 30 JGEDMP COCC[NH+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001301727834 1066645848 /nfs/dbraw/zinc/64/58/48/1066645848.db2.gz LFSYTVJCXJUFQM-ISKFKSNPSA-N 2 1 479.673 3.486 20 30 JGEDMP COCC[NH+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001301727834 1066645853 /nfs/dbraw/zinc/64/58/53/1066645853.db2.gz LFSYTVJCXJUFQM-ISKFKSNPSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001302819401 1067407034 /nfs/dbraw/zinc/40/70/34/1067407034.db2.gz MKLPEVJOWFGFGR-AREMUKBSSA-N 2 1 486.668 3.434 20 30 JGEDMP CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001302819402 1067407103 /nfs/dbraw/zinc/40/71/03/1067407103.db2.gz MKLPEVJOWFGFGR-SANMLTNESA-N 2 1 486.668 3.434 20 30 JGEDMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001303464229 1067983416 /nfs/dbraw/zinc/98/34/16/1067983416.db2.gz DANNAHCBDKLQPW-OAQYLSRUSA-N 2 1 465.646 3.284 20 30 JGEDMP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001303467862 1067987112 /nfs/dbraw/zinc/98/71/12/1067987112.db2.gz LKROCOYIYVDCTK-QFIPXVFZSA-N 2 1 495.672 3.196 20 30 JGEDMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001305048685 1068107951 /nfs/dbraw/zinc/10/79/51/1068107951.db2.gz LIAXMAHDOZONED-JOCHJYFZSA-N 2 1 465.646 3.381 20 30 JGEDMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001305048685 1068107954 /nfs/dbraw/zinc/10/79/54/1068107954.db2.gz LIAXMAHDOZONED-JOCHJYFZSA-N 2 1 465.646 3.381 20 30 JGEDMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305048685 1068107956 /nfs/dbraw/zinc/10/79/56/1068107956.db2.gz LIAXMAHDOZONED-JOCHJYFZSA-N 2 1 465.646 3.381 20 30 JGEDMP C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001305065351 1068136960 /nfs/dbraw/zinc/13/69/60/1068136960.db2.gz YLPRQPQJRBWKHV-QFIPXVFZSA-N 2 1 479.673 3.484 20 30 JGEDMP C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001305065351 1068136966 /nfs/dbraw/zinc/13/69/66/1068136966.db2.gz YLPRQPQJRBWKHV-QFIPXVFZSA-N 2 1 479.673 3.484 20 30 JGEDMP CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001305620567 1068906058 /nfs/dbraw/zinc/90/60/58/1068906058.db2.gz MNOVWVQYEUHFQK-ACRUOGEOSA-N 2 1 453.635 3.378 20 30 JGEDMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001305620567 1068906064 /nfs/dbraw/zinc/90/60/64/1068906064.db2.gz MNOVWVQYEUHFQK-ACRUOGEOSA-N 2 1 453.635 3.378 20 30 JGEDMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001305620567 1068906075 /nfs/dbraw/zinc/90/60/75/1068906075.db2.gz MNOVWVQYEUHFQK-ACRUOGEOSA-N 2 1 453.635 3.378 20 30 JGEDMP CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001305620569 1068906279 /nfs/dbraw/zinc/90/62/79/1068906279.db2.gz MNOVWVQYEUHFQK-PCCBWWKXSA-N 2 1 453.635 3.378 20 30 JGEDMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001305620569 1068906281 /nfs/dbraw/zinc/90/62/81/1068906281.db2.gz MNOVWVQYEUHFQK-PCCBWWKXSA-N 2 1 453.635 3.378 20 30 JGEDMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001305620569 1068906284 /nfs/dbraw/zinc/90/62/84/1068906284.db2.gz MNOVWVQYEUHFQK-PCCBWWKXSA-N 2 1 453.635 3.378 20 30 JGEDMP CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001305714941 1069118936 /nfs/dbraw/zinc/11/89/36/1069118936.db2.gz LMARPDVOISAWNQ-JWQCQUIFSA-N 2 1 479.673 3.342 20 30 JGEDMP N#Cc1c2c(cnc1N1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCc1cccnc1)C[NH2+]CCC2 ZINC001164752965 720869831 /nfs/dbraw/zinc/86/98/31/720869831.db2.gz NUNZCDOHPWNEPR-UFHPHHKVSA-N 2 1 472.637 3.139 20 30 JGEDMP COCC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001301887983 1066902205 /nfs/dbraw/zinc/90/22/05/1066902205.db2.gz KWYMEYIIHAETDO-JOCHJYFZSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001303278667 1067808013 /nfs/dbraw/zinc/80/80/13/1067808013.db2.gz MSELCRZUPURWLA-QFIPXVFZSA-N 2 1 451.619 3.134 20 30 JGEDMP CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC001303298307 1067823165 /nfs/dbraw/zinc/82/31/65/1067823165.db2.gz KVKBTDDFVFAPQV-RUZDIDTESA-N 2 1 479.673 3.485 20 30 JGEDMP CC(C)[NH+](CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC001303298308 1067823217 /nfs/dbraw/zinc/82/32/17/1067823217.db2.gz KVKBTDDFVFAPQV-VWLOTQADSA-N 2 1 479.673 3.485 20 30 JGEDMP C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC001303736249 1068293973 /nfs/dbraw/zinc/29/39/73/1068293973.db2.gz ICGUARFMDUEUHY-LJQANCHMSA-N 2 1 465.627 3.063 20 30 JGEDMP C=CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001301229022 1066048707 /nfs/dbraw/zinc/04/87/07/1066048707.db2.gz DXWOGWLQDUWVJD-HSZRJFAPSA-N 2 1 451.663 3.139 20 30 JGEDMP CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302192224 1066676017 /nfs/dbraw/zinc/67/60/17/1066676017.db2.gz HGAUZCYNWFRILY-UHFFFAOYSA-N 2 1 495.672 3.009 20 30 JGEDMP CC(C)[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001303278030 1067805760 /nfs/dbraw/zinc/80/57/60/1067805760.db2.gz ZIFNWJFRCQRSLX-UHFFFAOYSA-N 2 1 463.655 3.464 20 30 JGEDMP CC(C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001303278030 1067805781 /nfs/dbraw/zinc/80/57/81/1067805781.db2.gz ZIFNWJFRCQRSLX-UHFFFAOYSA-N 2 1 463.655 3.464 20 30 JGEDMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001303464228 1067983450 /nfs/dbraw/zinc/98/34/50/1067983450.db2.gz DANNAHCBDKLQPW-NRFANRHFSA-N 2 1 465.646 3.284 20 30 JGEDMP CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001305148935 1068252535 /nfs/dbraw/zinc/25/25/35/1068252535.db2.gz LAKJPGOCXFULKU-RCZVLFRGSA-N 2 1 479.673 3.483 20 30 JGEDMP CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001305620570 1068906216 /nfs/dbraw/zinc/90/62/16/1068906216.db2.gz MNOVWVQYEUHFQK-PWRODBHTSA-N 2 1 453.635 3.378 20 30 JGEDMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001305620570 1068906222 /nfs/dbraw/zinc/90/62/22/1068906222.db2.gz MNOVWVQYEUHFQK-PWRODBHTSA-N 2 1 453.635 3.378 20 30 JGEDMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001305620570 1068906229 /nfs/dbraw/zinc/90/62/29/1068906229.db2.gz MNOVWVQYEUHFQK-PWRODBHTSA-N 2 1 453.635 3.378 20 30 JGEDMP CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001305714942 1069118918 /nfs/dbraw/zinc/11/89/18/1069118918.db2.gz LMARPDVOISAWNQ-LOSJGSFVSA-N 2 1 479.673 3.342 20 30 JGEDMP CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001305714936 1069118957 /nfs/dbraw/zinc/11/89/57/1069118957.db2.gz LMARPDVOISAWNQ-DQEYMECFSA-N 2 1 479.673 3.342 20 30 JGEDMP N#Cc1c2c(cnc1N1CC[C@@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCc1cccnc1)C[NH2+]CCC2 ZINC001164752963 720869619 /nfs/dbraw/zinc/86/96/19/720869619.db2.gz NUNZCDOHPWNEPR-CUBQBAPOSA-N 2 1 472.637 3.139 20 30 JGEDMP CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001303261821 1067788895 /nfs/dbraw/zinc/78/88/95/1067788895.db2.gz YCKZEUDHTIJMGN-UHFFFAOYSA-N 2 1 465.646 3.381 20 30 JGEDMP CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC001303290986 1067814933 /nfs/dbraw/zinc/81/49/33/1067814933.db2.gz AXTWSBNRWCGHHU-UHFFFAOYSA-N 2 1 487.656 3.438 20 30 JGEDMP CC(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305111605 1068183658 /nfs/dbraw/zinc/18/36/58/1068183658.db2.gz BDLZFAPVFAZSNF-OYRHEFFESA-N 2 1 465.646 3.235 20 30 JGEDMP CC(C)[NH+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001305207851 1068335781 /nfs/dbraw/zinc/33/57/81/1068335781.db2.gz XCPOSHUIFBPAIU-WIOPSUGQSA-N 2 1 495.672 3.004 20 30 JGEDMP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305607662 1068876501 /nfs/dbraw/zinc/87/65/01/1068876501.db2.gz NCCFACRTPPNPMD-HXUWFJFHSA-N 2 1 489.672 3.220 20 30 JGEDMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305607662 1068876509 /nfs/dbraw/zinc/87/65/09/1068876509.db2.gz NCCFACRTPPNPMD-HXUWFJFHSA-N 2 1 489.672 3.220 20 30 JGEDMP N#Cc1c2c(cnc1N1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCc1cccnc1)C[NH2+]CCC2 ZINC001164752964 720869711 /nfs/dbraw/zinc/86/97/11/720869711.db2.gz NUNZCDOHPWNEPR-RBJSKKJNSA-N 2 1 472.637 3.139 20 30 JGEDMP COCC[N@@H+](C)CCCn1c(N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC001301722227 1066629449 /nfs/dbraw/zinc/62/94/49/1066629449.db2.gz OVDYYYLVNVYYAM-UHFFFAOYSA-N 2 1 467.662 3.128 20 30 JGEDMP COCC[NH+](C)CCCn1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC001301722227 1066629456 /nfs/dbraw/zinc/62/94/56/1066629456.db2.gz OVDYYYLVNVYYAM-UHFFFAOYSA-N 2 1 467.662 3.128 20 30 JGEDMP COCC[NH+](C)CCCn1c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC001301722227 1066629463 /nfs/dbraw/zinc/62/94/63/1066629463.db2.gz OVDYYYLVNVYYAM-UHFFFAOYSA-N 2 1 467.662 3.128 20 30 JGEDMP COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001301727837 1066645931 /nfs/dbraw/zinc/64/59/31/1066645931.db2.gz LFSYTVJCXJUFQM-VWNXMTODSA-N 2 1 479.673 3.486 20 30 JGEDMP COCC[NH+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001301727837 1066645934 /nfs/dbraw/zinc/64/59/34/1066645934.db2.gz LFSYTVJCXJUFQM-VWNXMTODSA-N 2 1 479.673 3.486 20 30 JGEDMP COCC[NH+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001301727837 1066645939 /nfs/dbraw/zinc/64/59/39/1066645939.db2.gz LFSYTVJCXJUFQM-VWNXMTODSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC001303295855 1067819578 /nfs/dbraw/zinc/81/95/78/1067819578.db2.gz KAGNCBKQUHIULB-UHFFFAOYSA-N 2 1 489.672 3.381 20 30 JGEDMP CC(C)[NH+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001303295888 1067819613 /nfs/dbraw/zinc/81/96/13/1067819613.db2.gz LCTUCIVMCXHMOP-UHFFFAOYSA-N 2 1 489.672 3.381 20 30 JGEDMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305049948 1068110599 /nfs/dbraw/zinc/11/05/99/1068110599.db2.gz KSSDGFWMTCBSMT-FDFHNCONSA-N 2 1 465.646 3.094 20 30 JGEDMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305049948 1068110603 /nfs/dbraw/zinc/11/06/03/1068110603.db2.gz KSSDGFWMTCBSMT-FDFHNCONSA-N 2 1 465.646 3.094 20 30 JGEDMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305049948 1068110609 /nfs/dbraw/zinc/11/06/09/1068110609.db2.gz KSSDGFWMTCBSMT-FDFHNCONSA-N 2 1 465.646 3.094 20 30 JGEDMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305049948 1068110617 /nfs/dbraw/zinc/11/06/17/1068110617.db2.gz KSSDGFWMTCBSMT-FDFHNCONSA-N 2 1 465.646 3.094 20 30 JGEDMP CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC001305148934 1068252640 /nfs/dbraw/zinc/25/26/40/1068252640.db2.gz LAKJPGOCXFULKU-DHLKQENFSA-N 2 1 479.673 3.483 20 30 JGEDMP CC(C)[NH+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001305207845 1068335612 /nfs/dbraw/zinc/33/56/12/1068335612.db2.gz XCPOSHUIFBPAIU-RCZVLFRGSA-N 2 1 495.672 3.004 20 30 JGEDMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001305620995 1068906397 /nfs/dbraw/zinc/90/63/97/1068906397.db2.gz URVIKTCZYCBLGM-JOCHJYFZSA-N 2 1 472.641 3.188 20 30 JGEDMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001305620995 1068906405 /nfs/dbraw/zinc/90/64/05/1068906405.db2.gz URVIKTCZYCBLGM-JOCHJYFZSA-N 2 1 472.641 3.188 20 30 JGEDMP CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001305714943 1069118989 /nfs/dbraw/zinc/11/89/89/1069118989.db2.gz LMARPDVOISAWNQ-RPBOFIJWSA-N 2 1 479.673 3.342 20 30 JGEDMP C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001300960670 1065768649 /nfs/dbraw/zinc/76/86/49/1065768649.db2.gz CRLXQHWHDQTBQB-PKTZIBPZSA-N 2 1 451.663 3.138 20 30 JGEDMP C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001300960671 1065768717 /nfs/dbraw/zinc/76/87/17/1065768717.db2.gz CRLXQHWHDQTBQB-XZOQPEGZSA-N 2 1 451.663 3.138 20 30 JGEDMP C=CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001301229023 1066048404 /nfs/dbraw/zinc/04/84/04/1066048404.db2.gz DXWOGWLQDUWVJD-QHCPKHFHSA-N 2 1 451.663 3.139 20 30 JGEDMP COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001301727836 1066645819 /nfs/dbraw/zinc/64/58/19/1066645819.db2.gz LFSYTVJCXJUFQM-UPVQGACJSA-N 2 1 479.673 3.486 20 30 JGEDMP COCC[NH+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001301727836 1066645825 /nfs/dbraw/zinc/64/58/25/1066645825.db2.gz LFSYTVJCXJUFQM-UPVQGACJSA-N 2 1 479.673 3.486 20 30 JGEDMP COCC[NH+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001301727836 1066645832 /nfs/dbraw/zinc/64/58/32/1066645832.db2.gz LFSYTVJCXJUFQM-UPVQGACJSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)C[N@H+]1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001303205555 1067742966 /nfs/dbraw/zinc/74/29/66/1067742966.db2.gz QYJODWWXHCDGJJ-VWLOTQADSA-N 2 1 495.672 3.006 20 30 JGEDMP CC(C)C[NH+]1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001303205555 1067742973 /nfs/dbraw/zinc/74/29/73/1067742973.db2.gz QYJODWWXHCDGJJ-VWLOTQADSA-N 2 1 495.672 3.006 20 30 JGEDMP CC(C)C[NH+]1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001303205555 1067742978 /nfs/dbraw/zinc/74/29/78/1067742978.db2.gz QYJODWWXHCDGJJ-VWLOTQADSA-N 2 1 495.672 3.006 20 30 JGEDMP C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001303700394 1068243066 /nfs/dbraw/zinc/24/30/66/1068243066.db2.gz PVCNUWLPWQZEGQ-WNOPAQSVSA-N 2 1 475.645 3.020 20 30 JGEDMP CC(C)[NH+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC001305207820 1068335542 /nfs/dbraw/zinc/33/55/42/1068335542.db2.gz XCPOSHUIFBPAIU-DHLKQENFSA-N 2 1 495.672 3.004 20 30 JGEDMP N#Cc1c2c(cnc1N1CC[C@@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCc1cccnc1)C[NH2+]CCC2 ZINC001164752966 720869746 /nfs/dbraw/zinc/86/97/46/720869746.db2.gz NUNZCDOHPWNEPR-YWEHKCAJSA-N 2 1 472.637 3.139 20 30 JGEDMP C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001300960669 1065768580 /nfs/dbraw/zinc/76/85/80/1065768580.db2.gz CRLXQHWHDQTBQB-GOTSBHOMSA-N 2 1 451.663 3.138 20 30 JGEDMP COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001301727302 1066644279 /nfs/dbraw/zinc/64/42/79/1066644279.db2.gz AXSQKGKPDGFEBS-UHFFFAOYSA-N 2 1 465.646 3.097 20 30 JGEDMP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCOCC2(C)C)CC1 ZINC001303255776 1067782078 /nfs/dbraw/zinc/78/20/78/1067782078.db2.gz BNLUFWXIILRHLO-UHFFFAOYSA-N 2 1 479.673 3.484 20 30 JGEDMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCOCC2(C)C)CC1 ZINC001303255776 1067782085 /nfs/dbraw/zinc/78/20/85/1067782085.db2.gz BNLUFWXIILRHLO-UHFFFAOYSA-N 2 1 479.673 3.484 20 30 JGEDMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001303255776 1067782091 /nfs/dbraw/zinc/78/20/91/1067782091.db2.gz BNLUFWXIILRHLO-UHFFFAOYSA-N 2 1 479.673 3.484 20 30 JGEDMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001303255776 1067782093 /nfs/dbraw/zinc/78/20/93/1067782093.db2.gz BNLUFWXIILRHLO-UHFFFAOYSA-N 2 1 479.673 3.484 20 30 JGEDMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001303262236 1067789398 /nfs/dbraw/zinc/78/93/98/1067789398.db2.gz BUGBVDLIOHKAJT-OAQYLSRUSA-N 2 1 465.646 3.237 20 30 JGEDMP CC(C)[NH+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001303262236 1067789407 /nfs/dbraw/zinc/78/94/07/1067789407.db2.gz BUGBVDLIOHKAJT-OAQYLSRUSA-N 2 1 465.646 3.237 20 30 JGEDMP CC(C)[NH+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001303262236 1067789417 /nfs/dbraw/zinc/78/94/17/1067789417.db2.gz BUGBVDLIOHKAJT-OAQYLSRUSA-N 2 1 465.646 3.237 20 30 JGEDMP CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303263959 1067791593 /nfs/dbraw/zinc/79/15/93/1067791593.db2.gz RMSONGAMRMZSSS-OYRHEFFESA-N 2 1 453.635 3.092 20 30 JGEDMP CC(C)[N@@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303263959 1067791598 /nfs/dbraw/zinc/79/15/98/1067791598.db2.gz RMSONGAMRMZSSS-OYRHEFFESA-N 2 1 453.635 3.092 20 30 JGEDMP CC(C)[NH+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303263959 1067791604 /nfs/dbraw/zinc/79/16/04/1067791604.db2.gz RMSONGAMRMZSSS-OYRHEFFESA-N 2 1 453.635 3.092 20 30 JGEDMP CC(C)[NH+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303263959 1067791606 /nfs/dbraw/zinc/79/16/06/1067791606.db2.gz RMSONGAMRMZSSS-OYRHEFFESA-N 2 1 453.635 3.092 20 30 JGEDMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001303277017 1067804598 /nfs/dbraw/zinc/80/45/98/1067804598.db2.gz QLYYGLZJKSNBNK-DEOSSOPVSA-N 2 1 465.646 3.444 20 30 JGEDMP CC(C)[NH+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303277017 1067804605 /nfs/dbraw/zinc/80/46/05/1067804605.db2.gz QLYYGLZJKSNBNK-DEOSSOPVSA-N 2 1 465.646 3.444 20 30 JGEDMP CC(C)[NH+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303277017 1067804609 /nfs/dbraw/zinc/80/46/09/1067804609.db2.gz QLYYGLZJKSNBNK-DEOSSOPVSA-N 2 1 465.646 3.444 20 30 JGEDMP C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303764236 1068333637 /nfs/dbraw/zinc/33/36/37/1068333637.db2.gz RTZFJLGJAMWBGA-JOCHJYFZSA-N 2 1 495.672 3.008 20 30 JGEDMP C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303764236 1068333643 /nfs/dbraw/zinc/33/36/43/1068333643.db2.gz RTZFJLGJAMWBGA-JOCHJYFZSA-N 2 1 495.672 3.008 20 30 JGEDMP C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303764243 1068333846 /nfs/dbraw/zinc/33/38/46/1068333846.db2.gz RTZFJLGJAMWBGA-QFIPXVFZSA-N 2 1 495.672 3.008 20 30 JGEDMP C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303764243 1068333863 /nfs/dbraw/zinc/33/38/63/1068333863.db2.gz RTZFJLGJAMWBGA-QFIPXVFZSA-N 2 1 495.672 3.008 20 30 JGEDMP COCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001301886671 1066898524 /nfs/dbraw/zinc/89/85/24/1066898524.db2.gz YWANBBQITXPFSH-DEOSSOPVSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001303263278 1067790159 /nfs/dbraw/zinc/79/01/59/1067790159.db2.gz OUZCPRGHGKILJJ-HSZRJFAPSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001303310948 1067839263 /nfs/dbraw/zinc/83/92/63/1067839263.db2.gz OEFOIRPYDLOGHT-UHFFFAOYSA-N 2 1 451.619 3.135 20 30 JGEDMP C[C@@H]1CCC[N@H+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305049951 1068110571 /nfs/dbraw/zinc/11/05/71/1068110571.db2.gz KSSDGFWMTCBSMT-VSKRKVRLSA-N 2 1 465.646 3.094 20 30 JGEDMP C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305049951 1068110576 /nfs/dbraw/zinc/11/05/76/1068110576.db2.gz KSSDGFWMTCBSMT-VSKRKVRLSA-N 2 1 465.646 3.094 20 30 JGEDMP C[C@@H]1CCC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305049951 1068110582 /nfs/dbraw/zinc/11/05/82/1068110582.db2.gz KSSDGFWMTCBSMT-VSKRKVRLSA-N 2 1 465.646 3.094 20 30 JGEDMP C[C@@H]1CCC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305049951 1068110585 /nfs/dbraw/zinc/11/05/85/1068110585.db2.gz KSSDGFWMTCBSMT-VSKRKVRLSA-N 2 1 465.646 3.094 20 30 JGEDMP C[C@@H]1CCC[N@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305053334 1068117553 /nfs/dbraw/zinc/11/75/53/1068117553.db2.gz YHBJZEWTXXECMY-OAQYLSRUSA-N 2 1 465.646 3.096 20 30 JGEDMP C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305053334 1068117557 /nfs/dbraw/zinc/11/75/57/1068117557.db2.gz YHBJZEWTXXECMY-OAQYLSRUSA-N 2 1 465.646 3.096 20 30 JGEDMP C[C@@H]1CCC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305053334 1068117562 /nfs/dbraw/zinc/11/75/62/1068117562.db2.gz YHBJZEWTXXECMY-OAQYLSRUSA-N 2 1 465.646 3.096 20 30 JGEDMP C[C@@H]1CCC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305053334 1068117565 /nfs/dbraw/zinc/11/75/65/1068117565.db2.gz YHBJZEWTXXECMY-OAQYLSRUSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC001305148936 1068252570 /nfs/dbraw/zinc/25/25/70/1068252570.db2.gz LAKJPGOCXFULKU-RDGATRHJSA-N 2 1 479.673 3.483 20 30 JGEDMP CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001305508466 1068746991 /nfs/dbraw/zinc/74/69/91/1068746991.db2.gz HDBJNWAWJAGECD-QHCPKHFHSA-N 2 1 479.673 3.488 20 30 JGEDMP CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683583 719629594 /nfs/dbraw/zinc/62/95/94/719629594.db2.gz TUJDZNVXSUSGCJ-UHFFFAOYSA-N 2 1 466.920 3.063 20 30 JGEDMP CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683583 719629601 /nfs/dbraw/zinc/62/96/01/719629601.db2.gz TUJDZNVXSUSGCJ-UHFFFAOYSA-N 2 1 466.920 3.063 20 30 JGEDMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCCC1 ZINC001298236139 1064142118 /nfs/dbraw/zinc/14/21/18/1064142118.db2.gz OFFDNSPKOKAUOG-UHFFFAOYSA-N 2 1 479.673 3.487 20 30 JGEDMP C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300960853 1065768517 /nfs/dbraw/zinc/76/85/17/1065768517.db2.gz OOWMELBEGSNIJC-UHFFFAOYSA-N 2 1 451.663 3.139 20 30 JGEDMP COCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001301886672 1066898473 /nfs/dbraw/zinc/89/84/73/1066898473.db2.gz YWANBBQITXPFSH-XMMPIXPASA-N 2 1 465.646 3.096 20 30 JGEDMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC001302909398 1067494636 /nfs/dbraw/zinc/49/46/36/1067494636.db2.gz RQIFKBREIAFBFF-SZPZYZBQSA-N 2 1 495.672 3.149 20 30 JGEDMP C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC001302909398 1067494641 /nfs/dbraw/zinc/49/46/41/1067494641.db2.gz RQIFKBREIAFBFF-SZPZYZBQSA-N 2 1 495.672 3.149 20 30 JGEDMP CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305049954 1068111374 /nfs/dbraw/zinc/11/13/74/1068111374.db2.gz KTMJIWUKYOHPLO-JOCHJYFZSA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001305148937 1068252776 /nfs/dbraw/zinc/25/27/76/1068252776.db2.gz LAKJPGOCXFULKU-WIOPSUGQSA-N 2 1 479.673 3.483 20 30 JGEDMP COCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001301727835 1066645700 /nfs/dbraw/zinc/64/57/00/1066645700.db2.gz LFSYTVJCXJUFQM-LADGPHEKSA-N 2 1 479.673 3.486 20 30 JGEDMP COCC[NH+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001301727835 1066645705 /nfs/dbraw/zinc/64/57/05/1066645705.db2.gz LFSYTVJCXJUFQM-LADGPHEKSA-N 2 1 479.673 3.486 20 30 JGEDMP COCC[NH+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001301727835 1066645712 /nfs/dbraw/zinc/64/57/12/1066645712.db2.gz LFSYTVJCXJUFQM-LADGPHEKSA-N 2 1 479.673 3.486 20 30 JGEDMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001302191221 1066674304 /nfs/dbraw/zinc/67/43/04/1066674304.db2.gz VSAXIZJOXPABTI-UHFFFAOYSA-N 2 1 479.673 3.486 20 30 JGEDMP C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001305065350 1068136923 /nfs/dbraw/zinc/13/69/23/1068136923.db2.gz YLPRQPQJRBWKHV-JOCHJYFZSA-N 2 1 479.673 3.484 20 30 JGEDMP C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001305065350 1068136928 /nfs/dbraw/zinc/13/69/28/1068136928.db2.gz YLPRQPQJRBWKHV-JOCHJYFZSA-N 2 1 479.673 3.484 20 30 JGEDMP C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001300960668 1065768692 /nfs/dbraw/zinc/76/86/92/1065768692.db2.gz CRLXQHWHDQTBQB-DHIUTWEWSA-N 2 1 451.663 3.138 20 30 JGEDMP COCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001301887108 1066899635 /nfs/dbraw/zinc/89/96/35/1066899635.db2.gz GEYLJCYZBBYYMV-UHFFFAOYSA-N 2 1 465.646 3.240 20 30 JGEDMP COCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001301887108 1066899640 /nfs/dbraw/zinc/89/96/40/1066899640.db2.gz GEYLJCYZBBYYMV-UHFFFAOYSA-N 2 1 465.646 3.240 20 30 JGEDMP COCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001301889155 1066905992 /nfs/dbraw/zinc/90/59/92/1066905992.db2.gz VFRGJNDXDYZKNB-UHFFFAOYSA-N 2 1 465.646 3.097 20 30 JGEDMP CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001303467861 1067987088 /nfs/dbraw/zinc/98/70/88/1067987088.db2.gz LKROCOYIYVDCTK-JOCHJYFZSA-N 2 1 495.672 3.196 20 30 JGEDMP C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2cccs2)CC1)[NH+](C)C ZINC001303736248 1068293890 /nfs/dbraw/zinc/29/38/90/1068293890.db2.gz ICGUARFMDUEUHY-IBGZPJMESA-N 2 1 465.627 3.063 20 30 JGEDMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC001305219234 1068356389 /nfs/dbraw/zinc/35/63/89/1068356389.db2.gz ADBLTGCDAPTABM-QHCPKHFHSA-N 2 1 495.672 3.150 20 30 JGEDMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001305219234 1068356400 /nfs/dbraw/zinc/35/64/00/1068356400.db2.gz ADBLTGCDAPTABM-QHCPKHFHSA-N 2 1 495.672 3.150 20 30 JGEDMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001305219234 1068356412 /nfs/dbraw/zinc/35/64/12/1068356412.db2.gz ADBLTGCDAPTABM-QHCPKHFHSA-N 2 1 495.672 3.150 20 30 JGEDMP COCC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001301887984 1066901943 /nfs/dbraw/zinc/90/19/43/1066901943.db2.gz KWYMEYIIHAETDO-QFIPXVFZSA-N 2 1 465.646 3.096 20 30 JGEDMP CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH+](C)CC1 ZINC001302599785 1067236261 /nfs/dbraw/zinc/23/62/61/1067236261.db2.gz YSQVGUKXCHMVFA-UHFFFAOYSA-N 2 1 497.713 3.191 20 30 JGEDMP CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH+](C)CC1 ZINC001302599785 1067236273 /nfs/dbraw/zinc/23/62/73/1067236273.db2.gz YSQVGUKXCHMVFA-UHFFFAOYSA-N 2 1 497.713 3.191 20 30 JGEDMP CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001302811829 1067399262 /nfs/dbraw/zinc/39/92/62/1067399262.db2.gz LOKOCYBCESRWSA-PXDATVDWSA-N 2 1 479.673 3.483 20 30 JGEDMP C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)C[NH+](C)C ZINC001302902620 1067487507 /nfs/dbraw/zinc/48/75/07/1067487507.db2.gz MSRWBQJGWLRCMQ-FQEVSTJZSA-N 2 1 465.646 3.094 20 30 JGEDMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001303277635 1067805041 /nfs/dbraw/zinc/80/50/41/1067805041.db2.gz VKBOYNXDRYXNPT-XMMPIXPASA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[NH+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303277635 1067805049 /nfs/dbraw/zinc/80/50/49/1067805049.db2.gz VKBOYNXDRYXNPT-XMMPIXPASA-N 2 1 465.646 3.096 20 30 JGEDMP CC(C)[NH+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303277635 1067805055 /nfs/dbraw/zinc/80/50/55/1067805055.db2.gz VKBOYNXDRYXNPT-XMMPIXPASA-N 2 1 465.646 3.096 20 30 JGEDMP CC[C@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001305621000 1068906178 /nfs/dbraw/zinc/90/61/78/1068906178.db2.gz URVIKTCZYCBLGM-QFIPXVFZSA-N 2 1 472.641 3.188 20 30 JGEDMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001305621000 1068906182 /nfs/dbraw/zinc/90/61/82/1068906182.db2.gz URVIKTCZYCBLGM-QFIPXVFZSA-N 2 1 472.641 3.188 20 30 JGEDMP