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)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](CC2CCCCC2)C(C)C)o1 ZINC000735939444 944722746 /nfs/dbraw/zinc/72/27/46/944722746.db2.gz PYEHYAGYUZKCNJ-AWEZNQCLSA-N -1 1 389.504 3.664 20 50 GHGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)Nc1ccc(-c2ccccc2)cc1 ZINC000823273411 946379945 /nfs/dbraw/zinc/37/99/45/946379945.db2.gz MKFDHHKMBLVJLF-UHFFFAOYSA-N -1 1 389.444 3.751 20 50 GHGDMM O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823280749 606488114 /nfs/dbraw/zinc/48/81/14/606488114.db2.gz FRFAGCNATVCGSN-UHFFFAOYSA-N -1 1 389.655 3.645 20 50 GHGDMM O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823280749 606488116 /nfs/dbraw/zinc/48/81/16/606488116.db2.gz FRFAGCNATVCGSN-UHFFFAOYSA-N -1 1 389.655 3.645 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796740 946187604 /nfs/dbraw/zinc/18/76/04/946187604.db2.gz XFPDZFKAGFOJBA-WEVVVXLNSA-N -1 1 380.820 3.853 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379736 608288845 /nfs/dbraw/zinc/28/88/45/608288845.db2.gz ZYSJQXJIMKCCBN-UITAMQMPSA-N -1 1 393.325 3.876 20 50 GHGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000735924022 944714123 /nfs/dbraw/zinc/71/41/23/944714123.db2.gz OBFCGHZAPGKMKO-CYBMUJFWSA-N -1 1 397.483 3.738 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796739 946186845 /nfs/dbraw/zinc/18/68/45/946186845.db2.gz XFPDZFKAGFOJBA-UITAMQMPSA-N -1 1 380.820 3.853 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1c(Cl)cccc1Cl ZINC000822795845 946176906 /nfs/dbraw/zinc/17/69/06/946176906.db2.gz IGSQZRLKUCFTGI-VURMDHGXSA-N -1 1 391.243 3.781 20 50 GHGDMM N#CC(=Cc1ccc([O-])c(F)c1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826379199 607880032 /nfs/dbraw/zinc/88/00/32/607880032.db2.gz LQJJTOGUYZCKKI-VGOFMYFVSA-N -1 1 390.403 3.899 20 50 GHGDMM COc1ccc(-c2csc(C(C#N)=Cc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000821732654 945851553 /nfs/dbraw/zinc/85/15/53/945851553.db2.gz RMPYMBOFHDCVIG-WQLSENKSSA-N -1 1 376.401 3.656 20 50 GHGDMM COc1ccc(-c2csc(C(C#N)=Cc3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC000821732654 945851566 /nfs/dbraw/zinc/85/15/66/945851566.db2.gz RMPYMBOFHDCVIG-WQLSENKSSA-N -1 1 376.401 3.656 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822795847 946178193 /nfs/dbraw/zinc/17/81/93/946178193.db2.gz IJLLWDLWPXHHQS-BAQGIRSFSA-N -1 1 391.243 3.781 20 50 GHGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)c1nc(-c2c(F)cccc2F)cs1 ZINC000822795413 946172679 /nfs/dbraw/zinc/17/26/79/946172679.db2.gz ADNAYPPGSRZMOB-RMKNXTFCSA-N -1 1 382.355 3.926 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1nc(-c2c(F)cccc2F)cs1 ZINC000822795413 946172684 /nfs/dbraw/zinc/17/26/84/946172684.db2.gz ADNAYPPGSRZMOB-RMKNXTFCSA-N -1 1 382.355 3.926 20 50 GHGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)c1nc(-c2c(F)cccc2F)cs1 ZINC000822795414 946173092 /nfs/dbraw/zinc/17/30/92/946173092.db2.gz ADNAYPPGSRZMOB-TWGQIWQCSA-N -1 1 382.355 3.926 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1nc(-c2c(F)cccc2F)cs1 ZINC000822795414 946173099 /nfs/dbraw/zinc/17/30/99/946173099.db2.gz ADNAYPPGSRZMOB-TWGQIWQCSA-N -1 1 382.355 3.926 20 50 GHGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=C2CCC(C(C)(C)C)CC2)o1 ZINC000820203430 945378536 /nfs/dbraw/zinc/37/85/36/945378536.db2.gz UKIVLITUBSAZSF-UHFFFAOYSA-N -1 1 387.488 3.584 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc(Br)s1 ZINC000822795824 946177888 /nfs/dbraw/zinc/17/78/88/946177888.db2.gz HRQLEIYKUFSRQL-ALCCZGGFSA-N -1 1 392.263 3.542 20 50 GHGDMM CCC[C@H](CC1CCCCC1)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736422205 944817071 /nfs/dbraw/zinc/81/70/71/944817071.db2.gz JEKRCRFYDGJJMB-CQSZACIVSA-N -1 1 389.504 3.808 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379737 608288561 /nfs/dbraw/zinc/28/85/61/608288561.db2.gz ZYSJQXJIMKCCBN-WEVVVXLNSA-N -1 1 393.325 3.876 20 50 GHGDMM CCCn1c(C)cc(C=C(C#N)C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1C ZINC001596108946 983437036 /nfs/dbraw/zinc/43/70/36/983437036.db2.gz XUABELUQDHSVFJ-XNTDXEJSSA-N -1 1 391.431 3.635 20 50 GHGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](CC2CCCCC2)C(C)C)o1 ZINC000735939446 944722433 /nfs/dbraw/zinc/72/24/33/944722433.db2.gz PYEHYAGYUZKCNJ-CQSZACIVSA-N -1 1 389.504 3.664 20 50 GHGDMM CCC[C@@H](CC1CCCCC1)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736422202 944818644 /nfs/dbraw/zinc/81/86/44/944818644.db2.gz JEKRCRFYDGJJMB-AWEZNQCLSA-N -1 1 389.504 3.808 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822796456 946185607 /nfs/dbraw/zinc/18/56/07/946185607.db2.gz RRJUJZGXSZEUOI-VMPITWQZSA-N -1 1 391.243 3.781 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc(Br)s1 ZINC000822795825 946177833 /nfs/dbraw/zinc/17/78/33/946177833.db2.gz HRQLEIYKUFSRQL-FNORWQNLSA-N -1 1 392.263 3.542 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1c(Cl)cccc1Cl ZINC000822795844 946177927 /nfs/dbraw/zinc/17/79/27/946177927.db2.gz IGSQZRLKUCFTGI-SOFGYWHQSA-N -1 1 391.243 3.781 20 50 GHGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C/C=C\c2ccc(C(C)C)cc2)o1 ZINC000824347519 608196722 /nfs/dbraw/zinc/19/67/22/608196722.db2.gz BYOXNHMGFPDRAG-WAYWQWQTSA-N -1 1 395.467 3.648 20 50 GHGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000735924023 944713140 /nfs/dbraw/zinc/71/31/40/944713140.db2.gz OBFCGHZAPGKMKO-ZDUSSCGKSA-N -1 1 397.483 3.738 20 50 GHGDMM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821492278 945707360 /nfs/dbraw/zinc/70/73/60/945707360.db2.gz KBUOUOVGMJALJK-GXDHUFHOSA-N -1 1 378.461 3.599 20 50 GHGDMM O=C([O-])c1ccccc1-c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)o1 ZINC000739453109 978636683 /nfs/dbraw/zinc/63/66/83/978636683.db2.gz CYXRYLGTKPOCLX-UHFFFAOYSA-N -1 1 384.775 3.768 20 50 GHGDMM COC(=O)c1cc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cc(C(=O)[O-])c1 ZINC001598930649 997746969 /nfs/dbraw/zinc/74/69/69/997746969.db2.gz CMKSAWBMFLULCG-QGZVFWFLSA-N -1 1 393.556 3.768 20 50 GHGDMM CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821077343 945630200 /nfs/dbraw/zinc/63/02/00/945630200.db2.gz BJOKPHJHLGKKNA-KAMYIIQDSA-N -1 1 378.461 3.816 20 50 GHGDMM CC(C)(C)[Si](C)(C)OCc1csc(CN[C@H](CC(F)F)C(=O)[O-])n1 ZINC001590451776 990015826 /nfs/dbraw/zinc/01/58/26/990015826.db2.gz QTWLPIAYVBFQGH-LLVKDONJSA-N -1 1 380.533 3.863 20 50 GHGDMM COc1ccc(-c2csc(C(C#N)=Cc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000821732657 945851741 /nfs/dbraw/zinc/85/17/41/945851741.db2.gz RMPYMBOFHDCVIG-XYOKQWHBSA-N -1 1 376.401 3.656 20 50 GHGDMM COc1ccc(-c2csc(C(C#N)=Cc3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC000821732657 945851749 /nfs/dbraw/zinc/85/17/49/945851749.db2.gz RMPYMBOFHDCVIG-XYOKQWHBSA-N -1 1 376.401 3.656 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822796654 946187386 /nfs/dbraw/zinc/18/73/86/946187386.db2.gz UKBRBPAUIVCDNT-SOFGYWHQSA-N -1 1 391.243 3.781 20 50 GHGDMM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)c3ccc(O)c(Cl)c3)o2)cc1 ZINC000738678472 978585988 /nfs/dbraw/zinc/58/59/88/978585988.db2.gz GWBPUOZVOLZAED-UHFFFAOYSA-N -1 1 384.775 3.768 20 50 GHGDMM CCCn1c(C)cc(C=C(C#N)C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1C ZINC001596108945 983437138 /nfs/dbraw/zinc/43/71/38/983437138.db2.gz XUABELUQDHSVFJ-GDNBJRDFSA-N -1 1 391.431 3.635 20 50 GHGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000822796769 946190016 /nfs/dbraw/zinc/19/00/16/946190016.db2.gz YHAQKNGPQHKVFA-OWBHPGMISA-N -1 1 398.382 3.798 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000822796769 946190019 /nfs/dbraw/zinc/19/00/19/946190019.db2.gz YHAQKNGPQHKVFA-OWBHPGMISA-N -1 1 398.382 3.798 20 50 GHGDMM N#CC(=Cc1ccc([O-])c(F)c1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826379198 607879901 /nfs/dbraw/zinc/87/99/01/607879901.db2.gz LQJJTOGUYZCKKI-AUWJEWJLSA-N -1 1 390.403 3.899 20 50 GHGDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820881655 945581310 /nfs/dbraw/zinc/58/13/10/945581310.db2.gz CKMIAICFVZNXLC-LQELWAHVSA-N -1 1 378.461 3.987 20 50 GHGDMM CCCCCC[C@](C)(CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821048945 945625285 /nfs/dbraw/zinc/62/52/85/945625285.db2.gz GYUFGKCAXVZOQJ-SFHVURJKSA-N -1 1 377.493 3.808 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822795843 946176827 /nfs/dbraw/zinc/17/68/27/946176827.db2.gz IFDGZPOJWNCMDI-YFHOEESVSA-N -1 1 375.335 3.737 20 50 GHGDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820881650 945582305 /nfs/dbraw/zinc/58/23/05/945582305.db2.gz CKMIAICFVZNXLC-GVIGZQTCSA-N -1 1 378.461 3.987 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000822796075 946179431 /nfs/dbraw/zinc/17/94/31/946179431.db2.gz LXEIVUAOZIDVAJ-VMPITWQZSA-N -1 1 391.243 3.781 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000822796076 946180228 /nfs/dbraw/zinc/18/02/28/946180228.db2.gz LXEIVUAOZIDVAJ-YVMONPNESA-N -1 1 391.243 3.781 20 50 GHGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000822796829 946190055 /nfs/dbraw/zinc/19/00/55/946190055.db2.gz ZWZKNVVQFUHSJR-OWBHPGMISA-N -1 1 398.382 3.798 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000822796829 946190058 /nfs/dbraw/zinc/19/00/58/946190058.db2.gz ZWZKNVVQFUHSJR-OWBHPGMISA-N -1 1 398.382 3.798 20 50 GHGDMM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821492279 945707642 /nfs/dbraw/zinc/70/76/42/945707642.db2.gz KBUOUOVGMJALJK-UVTDQMKNSA-N -1 1 378.461 3.599 20 50 GHGDMM CC(C)(C)[Si](C)(C)OCc1csc(CN[C@@H](CC(F)F)C(=O)[O-])n1 ZINC001590451778 990015491 /nfs/dbraw/zinc/01/54/91/990015491.db2.gz QTWLPIAYVBFQGH-NSHDSACASA-N -1 1 380.533 3.863 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000822796706 946187360 /nfs/dbraw/zinc/18/73/60/946187360.db2.gz WODYARMVZNNFMK-NTUHNPAUSA-N -1 1 387.453 3.988 20 50 GHGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000822796770 946189973 /nfs/dbraw/zinc/18/99/73/946189973.db2.gz YHAQKNGPQHKVFA-WYMLVPIESA-N -1 1 398.382 3.798 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000822796770 946189977 /nfs/dbraw/zinc/18/99/77/946189977.db2.gz YHAQKNGPQHKVFA-WYMLVPIESA-N -1 1 398.382 3.798 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822795848 946177410 /nfs/dbraw/zinc/17/74/10/946177410.db2.gz IJLLWDLWPXHHQS-FPYGCLRLSA-N -1 1 391.243 3.781 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822796655 946188321 /nfs/dbraw/zinc/18/83/21/946188321.db2.gz UKBRBPAUIVCDNT-VURMDHGXSA-N -1 1 391.243 3.781 20 50 GHGDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820881653 945582580 /nfs/dbraw/zinc/58/25/80/945582580.db2.gz CKMIAICFVZNXLC-HLVNSREUSA-N -1 1 378.461 3.987 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822795842 946177055 /nfs/dbraw/zinc/17/70/55/946177055.db2.gz IFDGZPOJWNCMDI-JXMROGBWSA-N -1 1 375.335 3.737 20 50 GHGDMM CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821477128 945704522 /nfs/dbraw/zinc/70/45/22/945704522.db2.gz ZJRZIFVOQIKWOP-UHFFFAOYSA-N -1 1 384.490 3.878 20 50 GHGDMM CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821477128 945704526 /nfs/dbraw/zinc/70/45/26/945704526.db2.gz ZJRZIFVOQIKWOP-UHFFFAOYSA-N -1 1 384.490 3.878 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000822796707 946188399 /nfs/dbraw/zinc/18/83/99/946188399.db2.gz WODYARMVZNNFMK-QPEQYQDCSA-N -1 1 387.453 3.988 20 50 GHGDMM O=C(NNc1ccccc1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738136949 945239384 /nfs/dbraw/zinc/23/93/84/945239384.db2.gz JKHZZPARXSZMEA-UHFFFAOYSA-N -1 1 390.378 3.555 20 50 GHGDMM O=C(NNc1ccccc1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738136949 945239395 /nfs/dbraw/zinc/23/93/95/945239395.db2.gz JKHZZPARXSZMEA-UHFFFAOYSA-N -1 1 390.378 3.555 20 50 GHGDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820881657 945582120 /nfs/dbraw/zinc/58/21/20/945582120.db2.gz CKMIAICFVZNXLC-XTCQQWIJSA-N -1 1 378.461 3.987 20 50 GHGDMM CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821077344 945630503 /nfs/dbraw/zinc/63/05/03/945630503.db2.gz BJOKPHJHLGKKNA-SDNWHVSQSA-N -1 1 378.461 3.816 20 50 GHGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000822796830 946190432 /nfs/dbraw/zinc/19/04/32/946190432.db2.gz ZWZKNVVQFUHSJR-WYMLVPIESA-N -1 1 398.382 3.798 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000822796830 946190437 /nfs/dbraw/zinc/19/04/37/946190437.db2.gz ZWZKNVVQFUHSJR-WYMLVPIESA-N -1 1 398.382 3.798 20 50 GHGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822796457 946185382 /nfs/dbraw/zinc/18/53/82/946185382.db2.gz RRJUJZGXSZEUOI-YVMONPNESA-N -1 1 391.243 3.781 20 50 GHGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C/C=C/c2ccc(C(C)C)cc2)o1 ZINC000824347518 608196258 /nfs/dbraw/zinc/19/62/58/608196258.db2.gz BYOXNHMGFPDRAG-AATRIKPKSA-N -1 1 395.467 3.648 20 50 GHGDMM Cc1oc(CN(C)CCP(=O)(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000738967486 978611041 /nfs/dbraw/zinc/61/10/41/978611041.db2.gz UTZGHELQAUYFRM-UHFFFAOYSA-N -1 1 397.411 3.732 20 50 GHGDMM COC(=O)c1cc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)cc(C(=O)[O-])c1 ZINC001598930647 997746998 /nfs/dbraw/zinc/74/69/98/997746998.db2.gz CMKSAWBMFLULCG-KRWDZBQOSA-N -1 1 393.556 3.768 20 50 GHGDMM C=C(CBr)CN(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001588605452 983692794 /nfs/dbraw/zinc/69/27/94/983692794.db2.gz ICKQPIJYTZQJFT-UHFFFAOYSA-N -1 1 391.103 3.677 20 50 GHGDMM CCCCCC[C@@](C)(CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821048944 945625609 /nfs/dbraw/zinc/62/56/09/945625609.db2.gz GYUFGKCAXVZOQJ-GOSISDBHSA-N -1 1 377.493 3.808 20 50 GHGDMM