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)[C@H](CF)Cc1ccccc1 ZINC000073138310 166160476 /nfs/dbraw/zinc/16/04/76/166160476.db2.gz FPPVPPCQNSSPGJ-ZDUSSCGKSA-N 1 1 205.276 2.132 1 30 BEEFMO C#CC[N@@H+](C)[C@H](CF)Cc1ccccc1 ZINC000073138310 166160473 /nfs/dbraw/zinc/16/04/73/166160473.db2.gz FPPVPPCQNSSPGJ-ZDUSSCGKSA-N 1 1 205.276 2.132 1 30 BEEFMO C=C(C)[C@H]1CC[N@H+]2Cc3ccccc3C[C@H]2[C@H]1O ZINC000026738888 187207396 /nfs/dbraw/zinc/20/73/96/187207396.db2.gz LZVHAOCZNSTRFJ-PMPSAXMXSA-N 1 1 243.350 2.370 1 30 BEEFMO N#Cc1ccc(C2=C[NH+]3CCC2CC3)o1 ZINC000013766617 187251215 /nfs/dbraw/zinc/25/12/15/187251215.db2.gz VUCYYOGBXRCVIJ-UHFFFAOYSA-N 1 1 200.241 2.218 1 30 BEEFMO C#CC[N@@H+]1CCC[C@H]2Cc3c(O)cccc3C[C@H]21 ZINC000012355925 188051834 /nfs/dbraw/zinc/05/18/34/188051834.db2.gz LWAYUBPNHKMRNZ-DZGCQCFKSA-N 1 1 241.334 2.205 1 30 BEEFMO C=CC[N@H+](C)[C@@H](c1ccccc1)C1COCOC1 ZINC000039215610 166324576 /nfs/dbraw/zinc/32/45/76/166324576.db2.gz DMQAFVTVTOQICO-HNNXBMFYSA-N 1 1 247.338 2.466 1 30 BEEFMO C[C@H]1CCC/C(=C/[C@@H]2CCC[N@H+]2C)C1=O ZINC000013554137 177069261 /nfs/dbraw/zinc/06/92/61/177069261.db2.gz DTYUINVVIMERIJ-JHSTVQJJSA-N 1 1 207.317 2.396 1 30 BEEFMO C[C@H]1CCC/C(=C\[C@@H]2CCC[N@H+]2C)C1=O ZINC000013554133 177069279 /nfs/dbraw/zinc/06/92/79/177069279.db2.gz DTYUINVVIMERIJ-CLCRQULESA-N 1 1 207.317 2.396 1 30 BEEFMO C#CCCCON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000013780863 187932608 /nfs/dbraw/zinc/93/26/08/187932608.db2.gz FDFCRHRWOPCEHH-BETUJISGSA-N 1 1 220.316 2.029 1 30 BEEFMO C=C(C)[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@@H](C)C1 ZINC000100751741 187264738 /nfs/dbraw/zinc/26/47/38/187264738.db2.gz OCSIKSHIPBGUCN-JTQLQIEISA-N 1 1 243.310 2.240 1 30 BEEFMO C[N@H+]1CCC=C(C(=O)Cc2ccccc2)C1 ZINC000027645145 187255953 /nfs/dbraw/zinc/25/59/53/187255953.db2.gz DRRVARVJFQSEKL-UHFFFAOYSA-N 1 1 215.296 2.060 1 30 BEEFMO C#C[C@@H](CC)ON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000013780855 166212392 /nfs/dbraw/zinc/21/23/92/166212392.db2.gz DIILXVCVGNHOQK-XQQFMLRXSA-N 1 1 220.316 2.027 1 30 BEEFMO C[N@@H+]1CC=C(C(=O)Cc2ccccc2)CC1 ZINC000027645160 187256043 /nfs/dbraw/zinc/25/60/43/187256043.db2.gz VNAYEVSSMFYHKG-UHFFFAOYSA-N 1 1 215.296 2.060 1 30 BEEFMO C=CCc1ccccc1[C@H](C)OC1=[NH+]CCN1 ZINC000045257637 187354627 /nfs/dbraw/zinc/35/46/27/187354627.db2.gz MCAGSCISRRGDGQ-NSHDSACASA-N 1 1 230.311 2.452 1 30 BEEFMO C#CC[N@H+]1CCC[C@H]2Cc3ccccc3C[C@@H]21 ZINC000013781532 188051757 /nfs/dbraw/zinc/05/17/57/188051757.db2.gz QBYJCHHMWPLLFC-HOTGVXAUSA-N 1 1 225.335 2.499 1 30 BEEFMO C=C(C)[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@H](C)C1 ZINC000100751740 188291878 /nfs/dbraw/zinc/29/18/78/188291878.db2.gz OCSIKSHIPBGUCN-SNVBAGLBSA-N 1 1 243.310 2.240 1 30 BEEFMO CC1=CC(=[NH+]n2cccc2)C=C(C)C1=O ZINC000028759589 168091741 /nfs/dbraw/zinc/09/17/41/168091741.db2.gz WHGZXJFSMUYJBQ-UHFFFAOYSA-N 1 1 200.241 2.168 1 30 BEEFMO C=CC[N@H+](C)[C@H](c1ccccc1)C1COCOC1 ZINC000039215611 166322293 /nfs/dbraw/zinc/32/22/93/166322293.db2.gz DMQAFVTVTOQICO-OAHLLOKOSA-N 1 1 247.338 2.466 1 30 BEEFMO CCC[N@H+]1C[C@@H]2COc3ccc(C#N)cc3[C@@H]2C1 ZINC000026167241 169209726 /nfs/dbraw/zinc/20/97/26/169209726.db2.gz GDYQVHUWFCXMBW-TZMCWYRMSA-N 1 1 242.322 2.376 1 30 BEEFMO C(#CC[N@H+]1[C@H]2CC[C@@H]1CCC2)CC1=NOCC1 ZINC000028872795 166225822 /nfs/dbraw/zinc/22/58/22/166225822.db2.gz AGJHAEIJMDSYFJ-OKILXGFUSA-N 1 1 232.327 2.173 1 30 BEEFMO C[N@H+]1C[C@H]2CC(c3cncc(C#N)c3)=C[C@H](C2)C1 ZINC000169295003 173187997 /nfs/dbraw/zinc/18/79/97/173187997.db2.gz SMBPQHQVCQWZFD-NWDGAFQWSA-N 1 1 239.322 2.308 1 30 BEEFMO COc1ccccc1/C=N/O[C@@H]1CCC[N@@H+](C)C1 ZINC000095587079 175315217 /nfs/dbraw/zinc/31/52/17/175315217.db2.gz KYJDTCBDFAWZCM-QQFZQELXSA-N 1 1 248.326 2.140 1 30 BEEFMO N#Cc1coc(C2=C[NH+]3CCC2CC3)c1 ZINC000013766615 181165456 /nfs/dbraw/zinc/16/54/56/181165456.db2.gz JKGARLBCOXRROD-UHFFFAOYSA-N 1 1 200.241 2.218 1 30 BEEFMO C=CC[N@@H+]1CC[C@H]2Cc3c(O)cccc3C[C@H]21 ZINC000013826577 166359195 /nfs/dbraw/zinc/35/91/95/166359195.db2.gz GNOHLPXINNYCLR-GXTWGEPZSA-N 1 1 229.323 2.367 1 30 BEEFMO C#CC[N@@H+](C)[C@H](C[18F])Cc1ccccc1 ZINC000102905469 166160513 /nfs/dbraw/zinc/16/05/13/166160513.db2.gz FPPVPPCQNSSPGJ-OBTQWQRRSA-N 1 1 204.279 2.132 1 30 BEEFMO C#CC[N@H+](C)[C@H](C[18F])Cc1ccccc1 ZINC000102905469 166160516 /nfs/dbraw/zinc/16/05/16/166160516.db2.gz FPPVPPCQNSSPGJ-OBTQWQRRSA-N 1 1 204.279 2.132 1 30 BEEFMO C=CC[N@@H+]1CC[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000013826580 166358222 /nfs/dbraw/zinc/35/82/22/166358222.db2.gz GNOHLPXINNYCLR-TZMCWYRMSA-N 1 1 229.323 2.367 1 30 BEEFMO C[N@@H+]1C[C@H]2C=C(c3cncc(C#N)c3)C[C@H](C2)C1 ZINC000095578567 173187736 /nfs/dbraw/zinc/18/77/36/173187736.db2.gz SMBPQHQVCQWZFD-NEPJUHHUSA-N 1 1 239.322 2.308 1 30 BEEFMO C#C[C@H](CC)ON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000013780856 166218822 /nfs/dbraw/zinc/21/88/22/166218822.db2.gz DIILXVCVGNHOQK-FRRDWIJNSA-N 1 1 220.316 2.027 1 30 BEEFMO C#CC[C@H](C)ON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000013780865 166206409 /nfs/dbraw/zinc/20/64/09/166206409.db2.gz BFBGBOFYCVNXOQ-WCFLWFBJSA-N 1 1 220.316 2.027 1 30 BEEFMO C[C@@H]1CCC/C(=C/[C@@H]2CCC[N@H+]2C)C1=O ZINC000013554136 176061932 /nfs/dbraw/zinc/06/19/32/176061932.db2.gz DTYUINVVIMERIJ-JFTBMZSVSA-N 1 1 207.317 2.396 1 30 BEEFMO C[N@@H+]1C[C@H]2C=C(c3cnccc3C#N)C[C@H](C2)C1 ZINC000095578561 173188094 /nfs/dbraw/zinc/18/80/94/173188094.db2.gz VSQMVWXIXKDVEZ-NEPJUHHUSA-N 1 1 239.322 2.308 1 30 BEEFMO CCC[N@@H+]1C[C@H]2c3cc(C#N)ccc3OC[C@@H]2C1 ZINC000026167246 169210947 /nfs/dbraw/zinc/21/09/47/169210947.db2.gz GDYQVHUWFCXMBW-GXTWGEPZSA-N 1 1 242.322 2.376 1 30 BEEFMO C[C@@H]1CCC/C(=C\[C@@H]2CCC[N@H+]2C)C1=O ZINC000013554132 176062430 /nfs/dbraw/zinc/06/24/30/176062430.db2.gz DTYUINVVIMERIJ-ZYHQFBDJSA-N 1 1 207.317 2.396 1 30 BEEFMO C[N@H+]1C[C@H]2CC(c3cnccc3C#N)=C[C@H](C2)C1 ZINC000169295002 173188916 /nfs/dbraw/zinc/18/89/16/173188916.db2.gz VSQMVWXIXKDVEZ-NWDGAFQWSA-N 1 1 239.322 2.308 1 30 BEEFMO COc1ccccc1/C=N/O[C@H]1CCC[N@@H+](C)C1 ZINC000095587078 175315849 /nfs/dbraw/zinc/31/58/49/175315849.db2.gz KYJDTCBDFAWZCM-LERPTODRSA-N 1 1 248.326 2.140 1 30 BEEFMO