smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2 ZINC001164705241 719931673 /nfs/dbraw/zinc/93/16/73/719931673.db2.gz XBPISWIEONEQKQ-UHFFFAOYSA-N 2 2 434.548 0.673 20 30 ICEDLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCC#CC[NH+](C)C)cc2)CC1 ZINC001477756495 1069945291 /nfs/dbraw/zinc/94/52/91/1069945291.db2.gz PSRHOQKBXMSVCQ-UHFFFAOYSA-N 2 2 429.565 0.636 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001539427884 1071589574 /nfs/dbraw/zinc/58/95/74/1071589574.db2.gz JSDGWQPKKKUIDS-NRFANRHFSA-N 2 2 431.610 0.707 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001539427887 1071589686 /nfs/dbraw/zinc/58/96/86/1071589686.db2.gz JSDGWQPKKKUIDS-OAQYLSRUSA-N 2 2 431.610 0.707 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001539428765 1071589418 /nfs/dbraw/zinc/58/94/18/1071589418.db2.gz WMCMEKHWYDSFTN-UHFFFAOYSA-N 2 2 442.612 0.295 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001539428765 1071589410 /nfs/dbraw/zinc/58/94/10/1071589410.db2.gz WMCMEKHWYDSFTN-UHFFFAOYSA-N 2 2 442.612 0.295 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001539429722 1071590428 /nfs/dbraw/zinc/59/04/28/1071590428.db2.gz CCMLJVXJAPHELO-MSOLQXFVSA-N 2 2 437.614 0.375 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001539429722 1071590416 /nfs/dbraw/zinc/59/04/16/1071590416.db2.gz CCMLJVXJAPHELO-MSOLQXFVSA-N 2 2 437.614 0.375 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001539429732 1071590295 /nfs/dbraw/zinc/59/02/95/1071590295.db2.gz CCMLJVXJAPHELO-QZTJIDSGSA-N 2 2 437.614 0.375 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001539429732 1071590289 /nfs/dbraw/zinc/59/02/89/1071590289.db2.gz CCMLJVXJAPHELO-QZTJIDSGSA-N 2 2 437.614 0.375 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001539429734 1071590001 /nfs/dbraw/zinc/59/00/01/1071590001.db2.gz CCMLJVXJAPHELO-ROUUACIJSA-N 2 2 437.614 0.375 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001539429734 1071589993 /nfs/dbraw/zinc/58/99/93/1071589993.db2.gz CCMLJVXJAPHELO-ROUUACIJSA-N 2 2 437.614 0.375 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001539429735 1071590183 /nfs/dbraw/zinc/59/01/83/1071590183.db2.gz CCMLJVXJAPHELO-ZWKOTPCHSA-N 2 2 437.614 0.375 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001539429735 1071590179 /nfs/dbraw/zinc/59/01/79/1071590179.db2.gz CCMLJVXJAPHELO-ZWKOTPCHSA-N 2 2 437.614 0.375 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001539432294 1071592268 /nfs/dbraw/zinc/59/22/68/1071592268.db2.gz ZRVHNDMDDCIGPC-KRWDZBQOSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001539432294 1071592263 /nfs/dbraw/zinc/59/22/63/1071592263.db2.gz ZRVHNDMDDCIGPC-KRWDZBQOSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001539432296 1071592101 /nfs/dbraw/zinc/59/21/01/1071592101.db2.gz ZRVHNDMDDCIGPC-QGZVFWFLSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001539432296 1071592092 /nfs/dbraw/zinc/59/20/92/1071592092.db2.gz ZRVHNDMDDCIGPC-QGZVFWFLSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001539436464 1071592023 /nfs/dbraw/zinc/59/20/23/1071592023.db2.gz TUVVPLCPIRJYPT-HSZRJFAPSA-N 2 2 440.548 0.784 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001539436464 1071592008 /nfs/dbraw/zinc/59/20/08/1071592008.db2.gz TUVVPLCPIRJYPT-HSZRJFAPSA-N 2 2 440.548 0.784 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001539436465 1071592206 /nfs/dbraw/zinc/59/22/06/1071592206.db2.gz TUVVPLCPIRJYPT-QHCPKHFHSA-N 2 2 440.548 0.784 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001539436465 1071592199 /nfs/dbraw/zinc/59/21/99/1071592199.db2.gz TUVVPLCPIRJYPT-QHCPKHFHSA-N 2 2 440.548 0.784 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001539445939 1071592780 /nfs/dbraw/zinc/59/27/80/1071592780.db2.gz LCCGELJUAOWHOW-FQEVSTJZSA-N 2 2 437.596 0.764 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001539445940 1071592665 /nfs/dbraw/zinc/59/26/65/1071592665.db2.gz LCCGELJUAOWHOW-HXUWFJFHSA-N 2 2 437.596 0.764 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001539446139 1071593384 /nfs/dbraw/zinc/59/33/84/1071593384.db2.gz RUJAQSYATHTGBJ-IBGZPJMESA-N 2 2 443.596 0.874 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001539446140 1071593426 /nfs/dbraw/zinc/59/34/26/1071593426.db2.gz RUJAQSYATHTGBJ-LJQANCHMSA-N 2 2 443.596 0.874 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001539452169 1071593186 /nfs/dbraw/zinc/59/31/86/1071593186.db2.gz MVLFCGCDMQGLLD-JOCHJYFZSA-N 2 2 430.503 0.969 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001539452169 1071593180 /nfs/dbraw/zinc/59/31/80/1071593180.db2.gz MVLFCGCDMQGLLD-JOCHJYFZSA-N 2 2 430.503 0.969 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001539452170 1071593218 /nfs/dbraw/zinc/59/32/18/1071593218.db2.gz MVLFCGCDMQGLLD-QFIPXVFZSA-N 2 2 430.503 0.969 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001539452170 1071593209 /nfs/dbraw/zinc/59/32/09/1071593209.db2.gz MVLFCGCDMQGLLD-QFIPXVFZSA-N 2 2 430.503 0.969 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001539462807 1071594951 /nfs/dbraw/zinc/59/49/51/1071594951.db2.gz ZRHVCAYMNKGQFC-JOCHJYFZSA-N 2 2 428.512 0.818 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001539462807 1071594947 /nfs/dbraw/zinc/59/49/47/1071594947.db2.gz ZRHVCAYMNKGQFC-JOCHJYFZSA-N 2 2 428.512 0.818 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001539462808 1071595217 /nfs/dbraw/zinc/59/52/17/1071595217.db2.gz ZRHVCAYMNKGQFC-QFIPXVFZSA-N 2 2 428.512 0.818 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001539462808 1071595210 /nfs/dbraw/zinc/59/52/10/1071595210.db2.gz ZRHVCAYMNKGQFC-QFIPXVFZSA-N 2 2 428.512 0.818 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001539462935 1071595042 /nfs/dbraw/zinc/59/50/42/1071595042.db2.gz QDVMRKZULUJOJS-VQTJNVASSA-N 2 2 443.596 0.828 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001539462935 1071595032 /nfs/dbraw/zinc/59/50/32/1071595032.db2.gz QDVMRKZULUJOJS-VQTJNVASSA-N 2 2 443.596 0.828 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001539462936 1071595135 /nfs/dbraw/zinc/59/51/35/1071595135.db2.gz QDVMRKZULUJOJS-WOJBJXKFSA-N 2 2 443.596 0.828 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001539462936 1071595128 /nfs/dbraw/zinc/59/51/28/1071595128.db2.gz QDVMRKZULUJOJS-WOJBJXKFSA-N 2 2 443.596 0.828 20 30 ICEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC001542895040 1072010143 /nfs/dbraw/zinc/01/01/43/1072010143.db2.gz XTBQENQCAUCZOD-UHFFFAOYSA-N 2 2 426.521 0.201 20 30 ICEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC001542895040 1072010128 /nfs/dbraw/zinc/01/01/28/1072010128.db2.gz XTBQENQCAUCZOD-UHFFFAOYSA-N 2 2 426.521 0.201 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001588732857 1072336783 /nfs/dbraw/zinc/33/67/83/1072336783.db2.gz IBUNPTWXKPJIES-IBGZPJMESA-N 2 2 431.585 0.672 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001588732857 1072336771 /nfs/dbraw/zinc/33/67/71/1072336771.db2.gz IBUNPTWXKPJIES-IBGZPJMESA-N 2 2 431.585 0.672 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001588732858 1072336944 /nfs/dbraw/zinc/33/69/44/1072336944.db2.gz IBUNPTWXKPJIES-LJQANCHMSA-N 2 2 431.585 0.672 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001588732858 1072336937 /nfs/dbraw/zinc/33/69/37/1072336937.db2.gz IBUNPTWXKPJIES-LJQANCHMSA-N 2 2 431.585 0.672 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001588741440 1072336962 /nfs/dbraw/zinc/33/69/62/1072336962.db2.gz CHIHIXLHTRJDOM-KRWDZBQOSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001588741446 1072336720 /nfs/dbraw/zinc/33/67/20/1072336720.db2.gz CHIHIXLHTRJDOM-QGZVFWFLSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001588742376 1072336892 /nfs/dbraw/zinc/33/68/92/1072336892.db2.gz REEJJIPTSAXYRN-MSOLQXFVSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001588742376 1072336881 /nfs/dbraw/zinc/33/68/81/1072336881.db2.gz REEJJIPTSAXYRN-MSOLQXFVSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001588742377 1072337318 /nfs/dbraw/zinc/33/73/18/1072337318.db2.gz REEJJIPTSAXYRN-QZTJIDSGSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001588742377 1072337307 /nfs/dbraw/zinc/33/73/07/1072337307.db2.gz REEJJIPTSAXYRN-QZTJIDSGSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001588742379 1072337516 /nfs/dbraw/zinc/33/75/16/1072337516.db2.gz REEJJIPTSAXYRN-ROUUACIJSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001588742379 1072337505 /nfs/dbraw/zinc/33/75/05/1072337505.db2.gz REEJJIPTSAXYRN-ROUUACIJSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001588742381 1072337627 /nfs/dbraw/zinc/33/76/27/1072337627.db2.gz REEJJIPTSAXYRN-ZWKOTPCHSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001588742381 1072337618 /nfs/dbraw/zinc/33/76/18/1072337618.db2.gz REEJJIPTSAXYRN-ZWKOTPCHSA-N 2 2 437.614 0.518 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001588743254 1072337712 /nfs/dbraw/zinc/33/77/12/1072337712.db2.gz YXQPRRCOFZCPPP-MSOLQXFVSA-N 2 2 439.630 0.620 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001588743258 1072337399 /nfs/dbraw/zinc/33/73/99/1072337399.db2.gz YXQPRRCOFZCPPP-QZTJIDSGSA-N 2 2 439.630 0.620 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001588743261 1072337793 /nfs/dbraw/zinc/33/77/93/1072337793.db2.gz YXQPRRCOFZCPPP-ROUUACIJSA-N 2 2 439.630 0.620 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001588743263 1072337343 /nfs/dbraw/zinc/33/73/43/1072337343.db2.gz YXQPRRCOFZCPPP-ZWKOTPCHSA-N 2 2 439.630 0.620 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001588751036 1072338282 /nfs/dbraw/zinc/33/82/82/1072338282.db2.gz HZVOHFCVFMUSAA-IBGZPJMESA-N 2 2 434.585 0.868 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001588751041 1072338266 /nfs/dbraw/zinc/33/82/66/1072338266.db2.gz HZVOHFCVFMUSAA-LJQANCHMSA-N 2 2 434.585 0.868 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001588752981 1072338840 /nfs/dbraw/zinc/33/88/40/1072338840.db2.gz YHGXZLABJIINQC-HSZRJFAPSA-N 2 2 446.596 0.796 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001588752982 1072338718 /nfs/dbraw/zinc/33/87/18/1072338718.db2.gz YHGXZLABJIINQC-QHCPKHFHSA-N 2 2 446.596 0.796 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[N@H+](C)CCOC)CC1 ZINC001588805776 1072340746 /nfs/dbraw/zinc/34/07/46/1072340746.db2.gz BHTOWRJCHGVFFH-UHFFFAOYSA-N 2 2 429.525 0.339 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[N@@H+](C)CCOC)CC1 ZINC001588805776 1072340733 /nfs/dbraw/zinc/34/07/33/1072340733.db2.gz BHTOWRJCHGVFFH-UHFFFAOYSA-N 2 2 429.525 0.339 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001588865636 1072345711 /nfs/dbraw/zinc/34/57/11/1072345711.db2.gz ZGEBMQHGYRNHGV-FQEVSTJZSA-N 2 2 443.596 0.513 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001588865636 1072345703 /nfs/dbraw/zinc/34/57/03/1072345703.db2.gz ZGEBMQHGYRNHGV-FQEVSTJZSA-N 2 2 443.596 0.513 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001588865637 1072345907 /nfs/dbraw/zinc/34/59/07/1072345907.db2.gz ZGEBMQHGYRNHGV-HXUWFJFHSA-N 2 2 443.596 0.513 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001588865637 1072345899 /nfs/dbraw/zinc/34/58/99/1072345899.db2.gz ZGEBMQHGYRNHGV-HXUWFJFHSA-N 2 2 443.596 0.513 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001588871615 1072345805 /nfs/dbraw/zinc/34/58/05/1072345805.db2.gz KCPRREXNMNNCBJ-HSZRJFAPSA-N 2 2 440.548 0.688 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001588871615 1072345800 /nfs/dbraw/zinc/34/58/00/1072345800.db2.gz KCPRREXNMNNCBJ-HSZRJFAPSA-N 2 2 440.548 0.688 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001588871616 1072345968 /nfs/dbraw/zinc/34/59/68/1072345968.db2.gz KCPRREXNMNNCBJ-QHCPKHFHSA-N 2 2 440.548 0.688 20 30 ICEDLP C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001588871616 1072345959 /nfs/dbraw/zinc/34/59/59/1072345959.db2.gz KCPRREXNMNNCBJ-QHCPKHFHSA-N 2 2 440.548 0.688 20 30 ICEDLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001618469227 1073395725 /nfs/dbraw/zinc/39/57/25/1073395725.db2.gz RHLOKYCGKPFFPV-JOCHJYFZSA-N 2 2 425.537 0.652 20 30 ICEDLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001618469227 1073395723 /nfs/dbraw/zinc/39/57/23/1073395723.db2.gz RHLOKYCGKPFFPV-JOCHJYFZSA-N 2 2 425.537 0.652 20 30 ICEDLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001618469229 1073396616 /nfs/dbraw/zinc/39/66/16/1073396616.db2.gz RHLOKYCGKPFFPV-QFIPXVFZSA-N 2 2 425.537 0.652 20 30 ICEDLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001618469229 1073396601 /nfs/dbraw/zinc/39/66/01/1073396601.db2.gz RHLOKYCGKPFFPV-QFIPXVFZSA-N 2 2 425.537 0.652 20 30 ICEDLP