smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000087157377 1072555862 /nfs/dbraw/zinc/55/58/62/1072555862.db2.gz GNMMDAYRMUXLJY-HNNXBMFYSA-N 2 2 377.493 -0.115 20 30 GBEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261652890 1073954613 /nfs/dbraw/zinc/95/46/13/1073954613.db2.gz ADFBHJMRQRRSCD-UHFFFAOYSA-N 2 2 381.462 -0.406 20 30 GBEDLP C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261663516 1073741117 /nfs/dbraw/zinc/74/11/17/1073741117.db2.gz BAMQKPSSPZAMGX-UHFFFAOYSA-N 2 2 380.537 -0.084 20 30 GBEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261681151 1073770346 /nfs/dbraw/zinc/77/03/46/1073770346.db2.gz DBSPHPUNVSXILS-KRWDZBQOSA-N 2 2 382.534 -0.079 20 30 GBEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261681158 1073770127 /nfs/dbraw/zinc/77/01/27/1073770127.db2.gz DBSPHPUNVSXILS-QGZVFWFLSA-N 2 2 382.534 -0.079 20 30 GBEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261775939 1073937243 /nfs/dbraw/zinc/93/72/43/1073937243.db2.gz OQIXFCHXKYBRMJ-GOSISDBHSA-N 2 2 390.492 -0.128 20 30 GBEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261775942 1072516529 /nfs/dbraw/zinc/51/65/29/1072516529.db2.gz OQIXFCHXKYBRMJ-SFHVURJKSA-N 2 2 390.492 -0.128 20 30 GBEDLP C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261969330 1072930877 /nfs/dbraw/zinc/93/08/77/1072930877.db2.gz MJKFFIAODAUNDU-UHFFFAOYSA-N 2 2 376.509 -0.214 20 30 GBEDLP [NH2+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCSCC1 ZINC000262004518 1072978975 /nfs/dbraw/zinc/97/89/75/1072978975.db2.gz RBAHDMYXQORESF-UHFFFAOYSA-N 2 2 398.558 -0.103 20 30 GBEDLP [NH2+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOCC1 ZINC000262007308 1072991970 /nfs/dbraw/zinc/99/19/70/1072991970.db2.gz RYMUHEKTUOSACT-UHFFFAOYSA-N 2 2 382.490 -0.820 20 30 GBEDLP C[C@@H]1CCN(/C(NCC(=O)N(C)C)=[NH+]/CC(=O)N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000262250255 1073329116 /nfs/dbraw/zinc/32/91/16/1073329116.db2.gz BVTHIDZZKLDCFP-CABCVRRESA-N 2 2 377.493 -0.112 20 30 GBEDLP C[C@@H]1CCN(/C(NCC(=O)N(C)C)=[NH+]/CC(=O)N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000262250259 1073329073 /nfs/dbraw/zinc/32/90/73/1073329073.db2.gz BVTHIDZZKLDCFP-HUUCEWRRSA-N 2 2 377.493 -0.112 20 30 GBEDLP Cc1cc[nH+]c(N2CCN(/C(NCC(=O)N(C)C)=[NH+]\CC(=O)N(C)C)CC2)c1 ZINC000262291675 1073366629 /nfs/dbraw/zinc/36/66/29/1073366629.db2.gz LKTMPTFDJFJCMA-UHFFFAOYSA-N 2 2 389.504 -0.366 20 30 GBEDLP C[C@H]1CN(C(=[NH2+])NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000262421717 1073474114 /nfs/dbraw/zinc/47/41/14/1073474114.db2.gz BFBCXQMIMQIXNG-HNNXBMFYSA-N 2 2 396.517 -0.431 20 30 GBEDLP C[C@@H]1CN(C(=[NH2+])NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000262421722 1073474132 /nfs/dbraw/zinc/47/41/32/1073474132.db2.gz BFBCXQMIMQIXNG-OAHLLOKOSA-N 2 2 396.517 -0.431 20 30 GBEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000262802402 1073974321 /nfs/dbraw/zinc/97/43/21/1073974321.db2.gz RGYLRMKILREEKD-UHFFFAOYSA-N 2 2 390.536 -0.199 20 30 GBEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000262803295 1073850348 /nfs/dbraw/zinc/85/03/48/1073850348.db2.gz RRFYZJQBFQXOFZ-UHFFFAOYSA-N 2 2 398.577 -0.913 20 30 GBEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(c2nccn(C)c2=O)CC1 ZINC000262821909 1073852188 /nfs/dbraw/zinc/85/21/88/1073852188.db2.gz YNSSDQQJSBPYDH-UHFFFAOYSA-N 2 2 393.561 -0.083 20 30 GBEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(c2nccn(C)c2=O)CC1 ZINC000262823553 1073851126 /nfs/dbraw/zinc/85/11/26/1073851126.db2.gz XNVSMCHTOSHMDO-UHFFFAOYSA-N 2 2 387.492 -0.523 20 30 GBEDLP N#Cc1ccc(N2CC[NH+](CCCO)CC2)nc1N1CC[NH+](CCCO)CC1 ZINC000276559460 1072173519 /nfs/dbraw/zinc/17/35/19/1072173519.db2.gz ZMQXESPZKASNLC-UHFFFAOYSA-N 2 2 388.516 -0.038 20 30 GBEDLP C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)c(N3CC[NH+](C[C@@H](C)O)CC3)n2)CC1 ZINC000278192713 1072451468 /nfs/dbraw/zinc/45/14/68/1072451468.db2.gz DSKAFGFDDBREQP-IAGOWNOFSA-N 2 2 388.516 -0.041 20 30 GBEDLP C[C@H](O)C[NH+]1CCN(c2ccc(C#N)c(N3CC[NH+](C[C@H](C)O)CC3)n2)CC1 ZINC000278192715 1072451345 /nfs/dbraw/zinc/45/13/45/1072451345.db2.gz DSKAFGFDDBREQP-IRXDYDNUSA-N 2 2 388.516 -0.041 20 30 GBEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329389795 1073362568 /nfs/dbraw/zinc/36/25/68/1073362568.db2.gz UPLCJHZRHIMNAA-IAGOWNOFSA-N 2 2 381.521 -0.098 20 30 GBEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329389795 1073362560 /nfs/dbraw/zinc/36/25/60/1073362560.db2.gz UPLCJHZRHIMNAA-IAGOWNOFSA-N 2 2 381.521 -0.098 20 30 GBEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329389796 1073362254 /nfs/dbraw/zinc/36/22/54/1073362254.db2.gz UPLCJHZRHIMNAA-SJORKVTESA-N 2 2 381.521 -0.098 20 30 GBEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329389796 1073362245 /nfs/dbraw/zinc/36/22/45/1073362245.db2.gz UPLCJHZRHIMNAA-SJORKVTESA-N 2 2 381.521 -0.098 20 30 GBEDLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)C1 ZINC000329614101 1073370785 /nfs/dbraw/zinc/37/07/85/1073370785.db2.gz CWJCWBZMKIMNHP-RBUKOAKNSA-N 2 2 396.580 -0.127 20 30 GBEDLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C1 ZINC000329614101 1073370774 /nfs/dbraw/zinc/37/07/74/1073370774.db2.gz CWJCWBZMKIMNHP-RBUKOAKNSA-N 2 2 396.580 -0.127 20 30 GBEDLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C)CCN3C)CC2)C1 ZINC000329614101 1073370761 /nfs/dbraw/zinc/37/07/61/1073370761.db2.gz CWJCWBZMKIMNHP-RBUKOAKNSA-N 2 2 396.580 -0.127 20 30 GBEDLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C)CCN3C)CC2)C1 ZINC000329614101 1073370752 /nfs/dbraw/zinc/37/07/52/1073370752.db2.gz CWJCWBZMKIMNHP-RBUKOAKNSA-N 2 2 396.580 -0.127 20 30 GBEDLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)C1 ZINC000329614102 1073370860 /nfs/dbraw/zinc/37/08/60/1073370860.db2.gz CWJCWBZMKIMNHP-RTBURBONSA-N 2 2 396.580 -0.127 20 30 GBEDLP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C1 ZINC000329614102 1073370851 /nfs/dbraw/zinc/37/08/51/1073370851.db2.gz CWJCWBZMKIMNHP-RTBURBONSA-N 2 2 396.580 -0.127 20 30 GBEDLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C)CCN3C)CC2)C1 ZINC000329614102 1073370841 /nfs/dbraw/zinc/37/08/41/1073370841.db2.gz CWJCWBZMKIMNHP-RTBURBONSA-N 2 2 396.580 -0.127 20 30 GBEDLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C)CCN3C)CC2)C1 ZINC000329614102 1073370829 /nfs/dbraw/zinc/37/08/29/1073370829.db2.gz CWJCWBZMKIMNHP-RTBURBONSA-N 2 2 396.580 -0.127 20 30 GBEDLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330221628 530292648 /nfs/dbraw/zinc/29/26/48/530292648.db2.gz RGHGQXLWWZZKDD-HNNXBMFYSA-N 2 2 375.539 -0.108 20 30 GBEDLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330221629 530292724 /nfs/dbraw/zinc/29/27/24/530292724.db2.gz RGHGQXLWWZZKDD-OAHLLOKOSA-N 2 2 375.539 -0.108 20 30 GBEDLP CCS(=O)(=O)N1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000330492324 530274334 /nfs/dbraw/zinc/27/43/34/530274334.db2.gz QTCJSMNBZXXQMN-UHFFFAOYSA-N 2 2 375.539 -0.106 20 30 GBEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000422298723 1072437623 /nfs/dbraw/zinc/43/76/23/1072437623.db2.gz RZZQQRVSGIACAC-UHFFFAOYSA-N 2 2 396.532 -0.051 20 30 GBEDLP CN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000424192925 1072586085 /nfs/dbraw/zinc/58/60/85/1072586085.db2.gz QDQVBUMVTWKRPB-KRWDZBQOSA-N 3 2 378.521 -0.296 20 30 GBEDLP CN(C(=O)[C@H]([NH3+])CCCC#N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000424192931 1072585778 /nfs/dbraw/zinc/58/57/78/1072585778.db2.gz QDQVBUMVTWKRPB-QGZVFWFLSA-N 3 2 378.521 -0.296 20 30 GBEDLP N#Cc1ccc(N2CC[N@H+]3CCOC[C@H]3C2)nc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000436348904 1072741433 /nfs/dbraw/zinc/74/14/33/1072741433.db2.gz OCXLLBJXIZWXLN-MSOLQXFVSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)nc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000436348904 1072741424 /nfs/dbraw/zinc/74/14/24/1072741424.db2.gz OCXLLBJXIZWXLN-MSOLQXFVSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[NH+]3CCOC[C@H]3C2)nc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000436348904 1072741412 /nfs/dbraw/zinc/74/14/12/1072741412.db2.gz OCXLLBJXIZWXLN-MSOLQXFVSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[NH+]3CCOC[C@H]3C2)nc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000436348904 1072741403 /nfs/dbraw/zinc/74/14/03/1072741403.db2.gz OCXLLBJXIZWXLN-MSOLQXFVSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[N@H+]3CCOC[C@H]3C2)nc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000436348905 1072741158 /nfs/dbraw/zinc/74/11/58/1072741158.db2.gz OCXLLBJXIZWXLN-QZTJIDSGSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)nc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000436348905 1072741148 /nfs/dbraw/zinc/74/11/48/1072741148.db2.gz OCXLLBJXIZWXLN-QZTJIDSGSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[NH+]3CCOC[C@H]3C2)nc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000436348905 1072741136 /nfs/dbraw/zinc/74/11/36/1072741136.db2.gz OCXLLBJXIZWXLN-QZTJIDSGSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[NH+]3CCOC[C@H]3C2)nc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000436348905 1072741129 /nfs/dbraw/zinc/74/11/29/1072741129.db2.gz OCXLLBJXIZWXLN-QZTJIDSGSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)nc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000436348906 1072741311 /nfs/dbraw/zinc/74/13/11/1072741311.db2.gz OCXLLBJXIZWXLN-ROUUACIJSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000436348906 1072741297 /nfs/dbraw/zinc/74/12/97/1072741297.db2.gz OCXLLBJXIZWXLN-ROUUACIJSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[NH+]3CCOC[C@@H]3C2)nc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000436348906 1072741287 /nfs/dbraw/zinc/74/12/87/1072741287.db2.gz OCXLLBJXIZWXLN-ROUUACIJSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[NH+]3CCOC[C@@H]3C2)nc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000436348906 1072741270 /nfs/dbraw/zinc/74/12/70/1072741270.db2.gz OCXLLBJXIZWXLN-ROUUACIJSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)nc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000436348907 1072741100 /nfs/dbraw/zinc/74/11/00/1072741100.db2.gz OCXLLBJXIZWXLN-ZWKOTPCHSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000436348907 1072741093 /nfs/dbraw/zinc/74/10/93/1072741093.db2.gz OCXLLBJXIZWXLN-ZWKOTPCHSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[NH+]3CCOC[C@@H]3C2)nc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000436348907 1072741088 /nfs/dbraw/zinc/74/10/88/1072741088.db2.gz OCXLLBJXIZWXLN-ZWKOTPCHSA-N 2 2 384.484 -0.005 20 30 GBEDLP N#Cc1ccc(N2CC[NH+]3CCOC[C@@H]3C2)nc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000436348907 1072741080 /nfs/dbraw/zinc/74/10/80/1072741080.db2.gz OCXLLBJXIZWXLN-ZWKOTPCHSA-N 2 2 384.484 -0.005 20 30 GBEDLP COC(=O)[C@H](O)C1CC[NH+](CC#CC[NH+]2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000472568485 1072961361 /nfs/dbraw/zinc/96/13/61/1072961361.db2.gz FVJVHNQFZNJXKO-HDICACEKSA-N 2 2 396.484 -0.518 20 30 GBEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601435240 1073323964 /nfs/dbraw/zinc/32/39/64/1073323964.db2.gz XXVFIFHZXOPBOS-UHFFFAOYSA-N 2 2 378.521 -0.471 20 30 GBEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000601435240 1073323955 /nfs/dbraw/zinc/32/39/55/1073323955.db2.gz XXVFIFHZXOPBOS-UHFFFAOYSA-N 2 2 378.521 -0.471 20 30 GBEDLP C[NH+]1CCC(C#N)(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000609519372 1073132500 /nfs/dbraw/zinc/13/25/00/1073132500.db2.gz ZEINKDZPSHBWPO-INIZCTEOSA-N 2 2 377.489 -0.196 20 30 GBEDLP C[NH+]1CCC(C#N)(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000609519378 1073132484 /nfs/dbraw/zinc/13/24/84/1073132484.db2.gz ZEINKDZPSHBWPO-MRXNPFEDSA-N 2 2 377.489 -0.196 20 30 GBEDLP C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC[NH2+]1 ZINC000662500574 1073573893 /nfs/dbraw/zinc/57/38/93/1073573893.db2.gz OIUVAJVAXNRJDO-KRWDZBQOSA-N 2 2 385.534 -0.679 20 30 GBEDLP C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC[NH2+]1 ZINC000662500575 1073573353 /nfs/dbraw/zinc/57/33/53/1073573353.db2.gz OIUVAJVAXNRJDO-QGZVFWFLSA-N 2 2 385.534 -0.679 20 30 GBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000876600268 638291232 /nfs/dbraw/zinc/29/12/32/638291232.db2.gz DYIRGJUWCYUUQG-CYBMUJFWSA-N 2 2 379.914 -0.907 20 30 GBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000876600269 638291705 /nfs/dbraw/zinc/29/17/05/638291705.db2.gz DYIRGJUWCYUUQG-ZDUSSCGKSA-N 2 2 379.914 -0.907 20 30 GBEDLP C#CCC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[NH+](CCC#C)CC3)n2)CC1 ZINC000892312859 1072407273 /nfs/dbraw/zinc/40/72/73/1072407273.db2.gz AFRQIFVXJCHOEH-UHFFFAOYSA-N 2 2 395.511 -0.134 20 30 GBEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1OCC ZINC001656483295 1071608991 /nfs/dbraw/zinc/60/89/91/1071608991.db2.gz FJYXQDLAXPRXRS-AKHDSKFASA-N 2 2 379.501 -0.048 20 30 GBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1OCC ZINC001656491230 1071609589 /nfs/dbraw/zinc/60/95/89/1071609589.db2.gz BWGLJRDFPXMUFK-YFHUEUNASA-N 2 2 387.484 -0.274 20 30 GBEDLP C[NH+](C)CC#CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001687889471 1072059803 /nfs/dbraw/zinc/05/98/03/1072059803.db2.gz ZDBRJCHLVCQJEL-UHFFFAOYSA-N 2 2 387.488 -0.290 20 30 GBEDLP C[NH+](C)CC#CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001687889471 1072059798 /nfs/dbraw/zinc/05/97/98/1072059798.db2.gz ZDBRJCHLVCQJEL-UHFFFAOYSA-N 2 2 387.488 -0.290 20 30 GBEDLP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001690120046 1072072998 /nfs/dbraw/zinc/07/29/98/1072072998.db2.gz DJGFXNODLJKSDE-IBGZPJMESA-N 2 2 382.472 -0.443 20 30 GBEDLP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001690120046 1072072991 /nfs/dbraw/zinc/07/29/91/1072072991.db2.gz DJGFXNODLJKSDE-IBGZPJMESA-N 2 2 382.472 -0.443 20 30 GBEDLP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001690120047 1072074005 /nfs/dbraw/zinc/07/40/05/1072074005.db2.gz DJGFXNODLJKSDE-LJQANCHMSA-N 2 2 382.472 -0.443 20 30 GBEDLP C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001690120047 1072074002 /nfs/dbraw/zinc/07/40/02/1072074002.db2.gz DJGFXNODLJKSDE-LJQANCHMSA-N 2 2 382.472 -0.443 20 30 GBEDLP