smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N(C)S(=O)(=O)NCC1(O)CCN(C)CC1 ZINC000397492016 790592344 /nfs/dbraw/zinc/59/23/44/790592344.db2.gz KXQSKIUJVAVWPS-UHFFFAOYSA-N 0 3 279.406 -0.382 50 0 CBAAHN CN1CCNC[C@H]1C(=O)NCC[C@@H]1CCCCO1 ZINC000686116170 790647124 /nfs/dbraw/zinc/64/71/24/790647124.db2.gz OLJXDHDAJPXMGU-RYUDHWBXSA-N 0 3 255.362 -0.035 50 0 CBAAHN C[C@@H](CCNC(=O)CN1CCOCC1)N1CCN(C)CC1 ZINC000823789450 790856008 /nfs/dbraw/zinc/85/60/08/790856008.db2.gz RDDVBCIDWLKGPU-AWEZNQCLSA-N 0 3 298.431 -0.539 50 0 CBAAHN CN1CCCN(CC(=O)NCc2csc(N)n2)CC1 ZINC000823778357 790850970 /nfs/dbraw/zinc/85/09/70/790850970.db2.gz KYZYZEZNAUUXDW-UHFFFAOYSA-N 0 3 283.401 -0.021 50 0 CBAAHN O=S(=O)(NCCC[N@H+]1CCC[C@H](O)C1)c1cn[n-]c1 ZINC000828627425 790880756 /nfs/dbraw/zinc/88/07/56/790880756.db2.gz WAJLFZZTHNRRDU-JTQLQIEISA-N 0 3 288.373 -0.465 50 0 CBAAHN 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-0.250 50 0 CBAAHN N[C@@H]1CO[C@H](CNC(=O)c2ccc(F)cc2)[C@H]1O ZINC000078931563 351688847 /nfs/dbraw/zinc/68/88/47/351688847.db2.gz FDPRGBDPIJLPIW-MXWKQRLJSA-N 0 3 254.261 -0.358 50 0 biogenic,in-vitro CBAAHN Cc1nnc2n1C[C@@H](N[C@@H](C)C(=O)N1CCOCC1)CC2 ZINC000097199447 351776870 /nfs/dbraw/zinc/77/68/70/351776870.db2.gz JSFIGYOVNPSTMH-JQWIXIFHSA-N 0 3 293.371 -0.262 50 0 CBAAHN CNCC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H](C(=O)[O-])C1 ZINC000097347158 351777470 /nfs/dbraw/zinc/77/74/70/351777470.db2.gz LPUZDWBLHKDFJY-NSHDSACASA-N 0 3 299.371 -0.770 50 0 CBAAHN CNCC(=O)N1CC[N@H+](C2CCOCC2)C[C@H](C(=O)[O-])C1 ZINC000097347158 351777473 /nfs/dbraw/zinc/77/74/73/351777473.db2.gz LPUZDWBLHKDFJY-NSHDSACASA-N 0 3 299.371 -0.770 50 0 CBAAHN O=C(N1CCN(c2ccncc2)C[C@H](O)C1)C1(CO)CC1 ZINC000097301410 351777883 /nfs/dbraw/zinc/77/78/83/351777883.db2.gz XDPJHPMIESDUKA-ZDUSSCGKSA-N 0 3 291.351 -0.136 50 0 CBAAHN Cn1cc(N2CCC[C@H](N3CCNCC3)C2=O)cn1 ZINC000095348328 351769976 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