smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(CNC(=O)CN2CCC[N@@H+](C)CC2)c[nH+]1 ZINC000218078962 256891509 /nfs/dbraw/zinc/89/15/09/256891509.db2.gz YEYUIAIKQKRLGP-UHFFFAOYSA-N 2 2 290.411 0.952 50 70 CCIALP Cc1cc(C)c(CNC(=O)CN2CCC[N@H+](C)CC2)c[nH+]1 ZINC000218078962 256891511 /nfs/dbraw/zinc/89/15/11/256891511.db2.gz YEYUIAIKQKRLGP-UHFFFAOYSA-N 2 2 290.411 0.952 50 70 CCIALP CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000217170958 351945238 /nfs/dbraw/zinc/94/52/38/351945238.db2.gz HQDZOJHAGNAEHU-AWEZNQCLSA-N 2 2 291.399 0.513 50 70 CCIALP CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000217170958 351945242 /nfs/dbraw/zinc/94/52/42/351945242.db2.gz HQDZOJHAGNAEHU-AWEZNQCLSA-N 2 2 291.399 0.513 50 70 CCIALP CCc1[nH+]ccn1CC[N@@H+]1CCn2nc(CO)cc2C1 ZINC000217882068 351951733 /nfs/dbraw/zinc/95/17/33/351951733.db2.gz UXVLSGKUYXYPOP-UHFFFAOYSA-N 2 2 275.356 0.650 50 70 CCIALP CCc1[nH+]ccn1CC[N@H+]1CCn2nc(CO)cc2C1 ZINC000217882068 351951735 /nfs/dbraw/zinc/95/17/35/351951735.db2.gz UXVLSGKUYXYPOP-UHFFFAOYSA-N 2 2 275.356 0.650 50 70 CCIALP Cc1nc(N2CC[N@@H+](C3CCOCC3)C[C@@H](O)C2)cc[nH+]1 ZINC000217957919 351952672 /nfs/dbraw/zinc/95/26/72/351952672.db2.gz FMLLKAYRXSOAOB-CQSZACIVSA-N 2 2 292.383 0.447 50 70 CCIALP Cc1nc(N2CC[N@H+](C3CCOCC3)C[C@@H](O)C2)cc[nH+]1 ZINC000217957919 351952673 /nfs/dbraw/zinc/95/26/73/351952673.db2.gz FMLLKAYRXSOAOB-CQSZACIVSA-N 2 2 292.383 0.447 50 70 CCIALP Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)NCCn1c[nH+]c(C)c1C ZINC000217476701 351948391 /nfs/dbraw/zinc/94/83/91/351948391.db2.gz YRPRHJXXXXYGBM-ZDUSSCGKSA-N 2 2 290.371 0.656 50 70 CCIALP CN(CCn1cccn1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000218458809 351958844 /nfs/dbraw/zinc/95/88/44/351958844.db2.gz VRYQOILQFPGNIN-UHFFFAOYSA-N 2 2 287.371 0.596 50 70 CCIALP Nc1nc(NCCn2cc[nH+]c2)cc(C2CC([NH3+])C2)n1 ZINC000218518195 351959193 /nfs/dbraw/zinc/95/91/93/351959193.db2.gz UKGVJNMOWCBHKG-UHFFFAOYSA-N 2 2 273.344 0.572 50 70 CCIALP CCc1[nH+]ccn1CCNC(=O)CN1CC[NH+](CC)CC1 ZINC000218254596 351956087 /nfs/dbraw/zinc/95/60/87/351956087.db2.gz JFWCGLRUAFGMDB-UHFFFAOYSA-N 2 2 293.415 0.199 50 70 CCIALP CN(Cc1cnn(C)c1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000218761058 351962097 /nfs/dbraw/zinc/96/20/97/351962097.db2.gz YWGSXLCHACCSER-UHFFFAOYSA-N 2 2 287.371 0.633 50 70 CCIALP C[C@@H](CCC(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000218753844 351961253 /nfs/dbraw/zinc/96/12/53/351961253.db2.gz DRNQWTFKAIUOAI-LBPRGKRZSA-N 2 2 280.372 0.869 50 70 CCIALP Cc1cc(C)c(CNC(=O)C[N@@H+]2CCC[C@@H](O)C2)c[nH+]1 ZINC000218477195 351959094 /nfs/dbraw/zinc/95/90/94/351959094.db2.gz NYUSDLQQGBXLLS-CQSZACIVSA-N 2 2 277.368 0.771 50 70 CCIALP Cc1cc(C)c(CNC(=O)C[N@H+]2CCC[C@@H](O)C2)c[nH+]1 ZINC000218477195 351959096 /nfs/dbraw/zinc/95/90/96/351959096.db2.gz NYUSDLQQGBXLLS-CQSZACIVSA-N 2 2 277.368 0.771 50 70 CCIALP OCc1cc2n(n1)CCC[N@H+](CCn1cc[nH+]c1)C2 ZINC000217201848 351945929 /nfs/dbraw/zinc/94/59/29/351945929.db2.gz FPEGURJWOBBYPX-UHFFFAOYSA-N 2 2 261.329 0.478 50 70 CCIALP OCc1cc2n(n1)CCC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000217201848 351945932 /nfs/dbraw/zinc/94/59/32/351945932.db2.gz FPEGURJWOBBYPX-UHFFFAOYSA-N 2 2 261.329 0.478 50 70 CCIALP CC[C@H](Cn1cc[nH+]c1)NC(=O)Cn1cc[nH+]c1C ZINC000218090430 389135788 /nfs/dbraw/zinc/13/57/88/389135788.db2.gz KXQJPTRZKUSJHP-GFCCVEGCSA-N 2 2 261.329 0.983 50 70 CCIALP Cn1cc[nH+]c1CC[N@@H+]1CCCn2nc(CO)cc2C1 ZINC000217868027 351951275 /nfs/dbraw/zinc/95/12/75/351951275.db2.gz VIQUALOVNPQTNP-UHFFFAOYSA-N 2 2 275.356 0.557 50 70 CCIALP Cn1cc[nH+]c1CC[N@H+]1CCCn2nc(CO)cc2C1 ZINC000217868027 351951281 /nfs/dbraw/zinc/95/12/81/351951281.db2.gz VIQUALOVNPQTNP-UHFFFAOYSA-N 2 2 275.356 0.557 50 70 CCIALP C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC000218467457 351958998 /nfs/dbraw/zinc/95/89/98/351958998.db2.gz NOJWZZBSWLVIDX-FAAHXZRKSA-N 2 2 292.383 0.497 50 70 CCIALP CC(C)(C)NC(=O)CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000218620810 351960917 /nfs/dbraw/zinc/96/09/17/351960917.db2.gz DJLBOOJDGVHMEL-UHFFFAOYSA-N 2 2 292.387 0.590 50 70 CCIALP C[C@H](CCC(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000218753884 351960747 /nfs/dbraw/zinc/96/07/47/351960747.db2.gz DRNQWTFKAIUOAI-GFCCVEGCSA-N 2 2 280.372 0.869 50 70 CCIALP Cc1n[nH]cc1CN(C)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000218709393 351961121 /nfs/dbraw/zinc/96/11/21/351961121.db2.gz QXZWBURQQFMAFW-UHFFFAOYSA-N 2 2 287.371 0.931 50 70 CCIALP Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCCn1c[nH+]c(C)c1C ZINC000217476812 351948382 /nfs/dbraw/zinc/94/83/82/351948382.db2.gz YRPRHJXXXXYGBM-CYBMUJFWSA-N 2 2 290.371 0.656 50 70 CCIALP Cc1cc(C)c(CNC(=O)C[N@@H+]2CCC[C@H](O)C2)c[nH+]1 ZINC000218477272 351959219 /nfs/dbraw/zinc/95/92/19/351959219.db2.gz NYUSDLQQGBXLLS-AWEZNQCLSA-N 2 2 277.368 0.771 50 70 CCIALP Cc1cc(C)c(CNC(=O)C[N@H+]2CCC[C@H](O)C2)c[nH+]1 ZINC000218477272 351959224 /nfs/dbraw/zinc/95/92/24/351959224.db2.gz NYUSDLQQGBXLLS-AWEZNQCLSA-N 2 2 277.368 0.771 50 70 CCIALP O=C1CC[C@@H]2C[NH2+]CC[C@@H]2N1CCCn1cc[nH+]c1 ZINC000160015815 389378366 /nfs/dbraw/zinc/37/83/66/389378366.db2.gz IEUAVZQWVFSCBF-OLZOCXBDSA-N 2 2 262.357 0.874 50 70 CCIALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1cc[nH+]c1C ZINC000218090349 389135806 /nfs/dbraw/zinc/13/58/06/389135806.db2.gz KXQJPTRZKUSJHP-LBPRGKRZSA-N 2 2 261.329 0.983 50 70 CCIALP