smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](C)C2)s1 ZINC000160068502 206277296 /nfs/dbraw/zinc/27/72/96/206277296.db2.gz LJTONBICDAVHTP-GHMZBOCLSA-N -1 3 345.490 1.844 20 70 EDIDHM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000160230825 206284936 /nfs/dbraw/zinc/28/49/36/206284936.db2.gz BVJGOIJQAAUEBR-WPRPVWTQSA-N -1 3 334.800 1.802 20 70 EDIDHM Cc1ccc(-c2nnc(NC(=O)CC3(CS(C)(=O)=O)CC3)[n-]2)o1 ZINC000160401676 206295695 /nfs/dbraw/zinc/29/56/95/206295695.db2.gz CVFVZHGYIBLLGD-UHFFFAOYSA-N -1 3 338.389 1.527 20 70 EDIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC3(CS(C)(=O)=O)CC3)n2)o1 ZINC000160401676 206295699 /nfs/dbraw/zinc/29/56/99/206295699.db2.gz CVFVZHGYIBLLGD-UHFFFAOYSA-N -1 3 338.389 1.527 20 70 EDIDHM Cc1ccc(-c2nc(NC(=O)CC3(CS(C)(=O)=O)CC3)n[n-]2)o1 ZINC000160401676 206295702 /nfs/dbraw/zinc/29/57/02/206295702.db2.gz 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O=C(NCC1(c2cccc(Cl)c2)CC1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000159362683 441805803 /nfs/dbraw/zinc/80/58/03/441805803.db2.gz JMUNHLRPQYEFCC-UHFFFAOYSA-N -1 3 347.802 1.476 20 70 EDIDHM O=S(=O)([N-]C[C@H](O)COCC1CC1)c1cc(F)ccc1Cl ZINC000160705356 441911894 /nfs/dbraw/zinc/91/18/94/441911894.db2.gz KTRDYVHEBKIYHP-NSHDSACASA-N -1 3 337.800 1.545 20 70 EDIDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC1CC=CC1 ZINC000160358298 540022932 /nfs/dbraw/zinc/02/29/32/540022932.db2.gz POTKGBAPLCMTBE-UHFFFAOYSA-N -1 3 349.865 1.698 20 70 EDIDHM Cc1ccc(-c2nnc(NC(=O)CS(=O)(=O)CC(C)C)[n-]2)o1 ZINC000160303730 206289313 /nfs/dbraw/zinc/28/93/13/206289313.db2.gz KGYXQSCPVZLVOQ-UHFFFAOYSA-N -1 3 326.378 1.382 20 70 EDIDHM Cc1ccc(-c2n[n-]c(NC(=O)CS(=O)(=O)CC(C)C)n2)o1 ZINC000160303730 206289315 /nfs/dbraw/zinc/28/93/15/206289315.db2.gz KGYXQSCPVZLVOQ-UHFFFAOYSA-N -1 3 326.378 1.382 20 70 EDIDHM Cc1ccc(-c2nc(NC(=O)CS(=O)(=O)CC(C)C)n[n-]2)o1 ZINC000160303730 206289321 /nfs/dbraw/zinc/28/93/21/206289321.db2.gz 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441892617 /nfs/dbraw/zinc/89/26/17/441892617.db2.gz AOJSKLLHUCEOPN-UHFFFAOYSA-N -1 3 336.395 1.998 20 70 EDIDHM CCc1cc2c(CN(C)CC(C)(CO)CO)cc(=O)oc2cc1[O-] ZINC000159568327 206252671 /nfs/dbraw/zinc/25/26/71/206252671.db2.gz OLMGFYUKPJQTBJ-UHFFFAOYSA-N -1 3 335.400 1.484 20 70 EDIDHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](O)COc1cccc(C)c1 ZINC000159921636 206270372 /nfs/dbraw/zinc/27/03/72/206270372.db2.gz UAVZRWQAFNERKJ-CYBMUJFWSA-N -1 3 340.401 1.318 20 70 EDIDHM CN1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1=O ZINC000160073256 206277693 /nfs/dbraw/zinc/27/76/93/206277693.db2.gz HOJFYEAGKTZORM-SECBINFHSA-N -1 3 337.228 1.893 20 70 EDIDHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000160188074 206282986 /nfs/dbraw/zinc/28/29/86/206282986.db2.gz XNEBJBFPILQWOI-QGZVFWFLSA-N -1 3 340.379 1.410 20 70 EDIDHM CCc1cc(=O)[n-]c(CN2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000160774467 206312694 /nfs/dbraw/zinc/31/26/94/206312694.db2.gz VLJKWALVBFDUHH-UHFFFAOYSA-N -1 3 344.390 1.842 20 70 EDIDHM 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441998319 /nfs/dbraw/zinc/99/83/19/441998319.db2.gz TWIMGLSJRLFDBA-UHFFFAOYSA-N -1 3 331.347 1.328 20 70 EDIDHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cn(CC(C)C)cn2)cc1 ZINC000159404884 225210613 /nfs/dbraw/zinc/21/06/13/225210613.db2.gz SLDZTCIUBDARMD-OAHLLOKOSA-N -1 3 337.445 1.859 20 70 EDIDHM O=S(=O)(Cc1c(F)cccc1F)[N-]CCOCC(F)(F)F ZINC000160404778 302921977 /nfs/dbraw/zinc/92/19/77/302921977.db2.gz RPPOTHKGOFVYRS-UHFFFAOYSA-N -1 3 333.278 1.963 20 70 EDIDHM Cc1cccc([C@@H](NC(=O)CN2CC(=O)[N-]C2=O)c2ccccn2)c1 ZINC000159989034 441852196 /nfs/dbraw/zinc/85/21/96/441852196.db2.gz USOYOCASXWGMIV-QGZVFWFLSA-N -1 3 338.367 1.147 20 70 EDIDHM NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000160218734 534433915 /nfs/dbraw/zinc/43/39/15/534433915.db2.gz NPMNYTWIHSMKSK-SCZZXKLOSA-N -1 3 334.800 1.802 20 70 EDIDHM O=C(Nc1nnc(SCCO)[n-]1)c1cc(F)cc2cccnc21 ZINC000160195091 225357906 /nfs/dbraw/zinc/35/79/06/225357906.db2.gz NWBPYFFCXFJIDF-UHFFFAOYSA-N -1 3 333.348 1.829 20 70 EDIDHM 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