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(NC[C@@H]1CCCN1C)N[C@H]1CCN(C2CC2)C1 ZINC000262779820 330031073 /nfs/dbraw/zinc/03/10/73/330031073.db2.gz LGWGBQQDENUURD-JSGCOSHPSA-N 1 3 279.432 0.482 10 30 CCEEHO C[NH+]=C(NCCN1CCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261998960 625009704 /nfs/dbraw/zinc/00/97/04/625009704.db2.gz TVTVENBPYYWPPA-ZIAGYGMSSA-N 1 3 281.448 0.586 10 30 CCEEHO C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261980193 631741949 /nfs/dbraw/zinc/74/19/49/631741949.db2.gz OSJSVGWGYRBDNQ-MGPQQGTHSA-N 1 3 298.431 0.296 10 30 CCEEHO C#CCNC(=O)[C@@H](C)N1CCC(C[NH2+]CC)CC1 ZINC000104408954 185990893 /nfs/dbraw/zinc/99/08/93/185990893.db2.gz PXFKNXDNPQBDAW-GFCCVEGCSA-N 1 3 251.374 0.446 10 30 CCEEHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@H]1CCCN1C ZINC000330124818 289035957 /nfs/dbraw/zinc/03/59/57/289035957.db2.gz BHNYGTUZEQJLRH-MGPQQGTHSA-N 1 3 298.431 0.382 10 30 CCEEHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CCCN1C ZINC000330124818 289035959 /nfs/dbraw/zinc/03/59/59/289035959.db2.gz BHNYGTUZEQJLRH-MGPQQGTHSA-N 1 3 298.431 0.382 10 30 CCEEHO CC[NH+]=C(NC[C@@H]1CCCN1C)N[C@@H]1CCN(C2CC2)C1 ZINC000262808221 330033008 /nfs/dbraw/zinc/03/30/08/330033008.db2.gz QKQSIZFFNMOOBG-HIFRSBDPSA-N 1 3 293.459 0.872 10 30 CCEEHO C[NH+]=C(NCCn1cccn1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261976680 624949644 /nfs/dbraw/zinc/94/96/44/624949644.db2.gz NVNZVJSSTORSBD-ZIAGYGMSSA-N 1 3 292.431 0.777 10 30 CCEEHO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262012604 631755583 /nfs/dbraw/zinc/75/55/83/631755583.db2.gz WYJXMAFKJUKUOR-CHWSQXEVSA-N 1 3 282.432 0.795 10 30 CCEEHO C[NH+](C)[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594436666 360305860 /nfs/dbraw/zinc/30/58/60/360305860.db2.gz PMCHGIDUQZRIQC-NWDGAFQWSA-N 1 3 252.362 0.560 10 30 CCEEHO N#Cc1cnc(Nc2cc(NCC[NH3+])c(N)cn2)cn1 ZINC000098178641 349653973 /nfs/dbraw/zinc/65/39/73/349653973.db2.gz BOJRSQFDMHIPTI-UHFFFAOYSA-N 1 3 270.300 0.440 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC(=O)N1 ZINC000262926046 330036864 /nfs/dbraw/zinc/03/68/64/330036864.db2.gz ZVAPMZLLJSSBPM-NWDGAFQWSA-N 1 3 281.404 0.044 10 30 CCEEHO C[NH+]=C(NCc1nc(C)no1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261983326 631741346 /nfs/dbraw/zinc/74/13/46/631741346.db2.gz PJCDWMUWCHQFGM-ZYHUDNBSSA-N 1 3 294.403 0.772 10 30 CCEEHO CCN1CCC[C@@H]1CN(C)C(NCC1(O)CCC1)=[NH+]C ZINC000262796333 330032079 /nfs/dbraw/zinc/03/20/79/330032079.db2.gz PSQSHDIDYZONPH-CYBMUJFWSA-N 1 3 282.432 0.893 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC(=O)N1 ZINC000262926051 330036888 /nfs/dbraw/zinc/03/68/88/330036888.db2.gz ZVAPMZLLJSSBPM-VXGBXAGGSA-N 1 3 281.404 0.044 10 30 CCEEHO C[NH+]=C(NCc1ccnn1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261988150 624997129 /nfs/dbraw/zinc/99/71/29/624997129.db2.gz QPUZZVQCGXDNKL-TZMCWYRMSA-N 1 3 292.431 0.814 10 30 CCEEHO C[NH+]=C(NCc1nncn1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261977883 631740651 /nfs/dbraw/zinc/74/06/51/631740651.db2.gz ODEJYCDOEFMDPY-NWDGAFQWSA-N 1 3 293.419 0.209 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000249839934 261258533 /nfs/dbraw/zinc/25/85/33/261258533.db2.gz NMASOULQNADSRA-SYQHCUMBSA-N 1 3 280.416 0.943 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1O ZINC000262503268 330018318 /nfs/dbraw/zinc/01/83/18/330018318.db2.gz ATGZVFYNLOMVKM-YNEHKIRRSA-N 1 3 268.405 0.536 10 30 CCEEHO C[NH+]=C(NCc1nncn1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261977885 631741205 /nfs/dbraw/zinc/74/12/05/631741205.db2.gz ODEJYCDOEFMDPY-VXGBXAGGSA-N 1 3 293.419 0.209 10 30 CCEEHO CC[NH+]=C(NCCO)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262010058 631754044 /nfs/dbraw/zinc/75/40/44/631754044.db2.gz WKTOJVSRBONJES-VXGBXAGGSA-N 1 3 256.394 0.263 10 30 CCEEHO C[NH+]=C(NCCn1ccnc1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261971666 631740065 /nfs/dbraw/zinc/74/00/65/631740065.db2.gz MXWNRXNLKFTSPS-ZIAGYGMSSA-N 1 3 292.431 0.777 10 30 CCEEHO C[C@@H]1C[NH+]=C(NCc2ccncc2OCCN(C)C)N1 ZINC000262262979 330003100 /nfs/dbraw/zinc/00/31/00/330003100.db2.gz GRRMXLUAVVHVJI-LLVKDONJSA-N 1 3 277.372 0.459 10 30 CCEEHO C[NH+](C)CCN1CCN(CCC[C@](C)(N)C#N)CC1 ZINC000061652850 521764699 /nfs/dbraw/zinc/76/46/99/521764699.db2.gz PDHTXKZQYCHDBL-AWEZNQCLSA-N 1 3 267.421 0.187 10 30 CCEEHO CC[NH+]=C(NCCO)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158308032 622710951 /nfs/dbraw/zinc/71/09/51/622710951.db2.gz WKTOJVSRBONJES-NWDGAFQWSA-N 1 3 256.394 0.263 10 30 CCEEHO CN(CC#CCN1CCCC1)C(=O)CCCC[NH3+] ZINC000027857713 348102203 /nfs/dbraw/zinc/10/22/03/348102203.db2.gz GWKYSTUNHIGTNS-UHFFFAOYSA-N 1 3 251.374 0.673 10 30 CCEEHO N#CCCCC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000594438295 360307363 /nfs/dbraw/zinc/30/73/63/360307363.db2.gz NUIOESUWWXXLHC-STQMWFEESA-N 1 3 264.373 0.704 10 30 CCEEHO N#CCCCC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000594438295 360307373 /nfs/dbraw/zinc/30/73/73/360307373.db2.gz NUIOESUWWXXLHC-STQMWFEESA-N 1 3 264.373 0.704 10 30 CCEEHO C#CCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247200856 389237134 /nfs/dbraw/zinc/23/71/34/389237134.db2.gz OZMHUSFFPRXCMH-UONOGXRCSA-N 1 3 295.427 0.149 10 30 CCEEHO CN(C)CCOc1cnccc1CNC1=[NH+]CCN1C ZINC000262246578 330002681 /nfs/dbraw/zinc/00/26/81/330002681.db2.gz CLMSSXAFIQUZRL-UHFFFAOYSA-N 1 3 277.372 0.413 10 30 CCEEHO C[NH+](C)CCN1CCN(CCC[C@@](C)(N)C#N)CC1 ZINC000061652849 521764719 /nfs/dbraw/zinc/76/47/19/521764719.db2.gz PDHTXKZQYCHDBL-CQSZACIVSA-N 1 3 267.421 0.187 10 30 CCEEHO CCN1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440499 360310155 /nfs/dbraw/zinc/31/01/55/360310155.db2.gz DPJOYDCNXCQSFS-STQMWFEESA-N 1 3 266.389 0.998 10 30 CCEEHO C[NH+]=C(NCCn1cncn1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261983421 624977292 /nfs/dbraw/zinc/97/72/92/624977292.db2.gz PMVIIRUGYNCODN-QWHCGFSZSA-N 1 3 293.419 0.172 10 30 CCEEHO CCN1CCC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440498 360310244 /nfs/dbraw/zinc/31/02/44/360310244.db2.gz DPJOYDCNXCQSFS-QWHCGFSZSA-N 1 3 266.389 0.998 10 30 CCEEHO C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245613775 649646597 /nfs/dbraw/zinc/64/65/97/649646597.db2.gz MBVVYVCTTNRFCI-CHWSQXEVSA-N 1 3 297.447 0.405 10 30 CCEEHO C[NH+]=C(NC[C@@H]1CCCN1C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261968824 631739230 /nfs/dbraw/zinc/73/92/30/631739230.db2.gz MDVBVXDEUWHZLH-AEGPPILISA-N 1 3 293.459 0.728 10 30 CCEEHO C[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1CCN(C2CC2)CC1 ZINC000262777934 330030804 /nfs/dbraw/zinc/03/08/04/330030804.db2.gz KBPCTRKOBLLVKM-SWLSCSKDSA-N 1 3 294.443 0.939 10 30 CCEEHO C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261958237 631731201 /nfs/dbraw/zinc/73/12/01/631731201.db2.gz JJRSCFURJDLKGP-DGCLKSJQSA-N 1 3 295.431 0.159 10 30 CCEEHO C[NH+]=C(NC[C@@H]1CCCN1C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261968833 631739354 /nfs/dbraw/zinc/73/93/54/631739354.db2.gz MDVBVXDEUWHZLH-VHDGCEQUSA-N 1 3 293.459 0.728 10 30 CCEEHO N#CCCCC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594438291 360306877 /nfs/dbraw/zinc/30/68/77/360306877.db2.gz NUIOESUWWXXLHC-CHWSQXEVSA-N 1 3 264.373 0.704 10 30 CCEEHO N#CCCCC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000594438291 360306884 /nfs/dbraw/zinc/30/68/84/360306884.db2.gz NUIOESUWWXXLHC-CHWSQXEVSA-N 1 3 264.373 0.704 10 30 CCEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cnc(C)[nH]c1=O ZINC000262299049 330004874 /nfs/dbraw/zinc/00/48/74/330004874.db2.gz ZFYSWGDBEWQBMS-LBPRGKRZSA-N 1 3 292.387 0.379 10 30 CCEEHO C[NH+]=C(NCc1ccnn1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261988149 624997103 /nfs/dbraw/zinc/99/71/03/624997103.db2.gz QPUZZVQCGXDNKL-GXTWGEPZSA-N 1 3 292.431 0.814 10 30 CCEEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594436668 360305589 /nfs/dbraw/zinc/30/55/89/360305589.db2.gz PMCHGIDUQZRIQC-VXGBXAGGSA-N 1 3 252.362 0.560 10 30 CCEEHO C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(C2CCCC2)C1 ZINC000262326084 262767810 /nfs/dbraw/zinc/76/78/10/262767810.db2.gz TXWZQOGOSBZFQR-LBPRGKRZSA-N 1 3 295.431 0.257 10 30 CCEEHO C[NH+]=C(NCCn1cccn1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261976678 631740753 /nfs/dbraw/zinc/74/07/53/631740753.db2.gz NVNZVJSSTORSBD-UONOGXRCSA-N 1 3 292.431 0.777 10 30 CCEEHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCCN1C ZINC000330124786 279111649 /nfs/dbraw/zinc/11/16/49/279111649.db2.gz BHNYGTUZEQJLRH-HZSPNIEDSA-N 1 3 298.431 0.382 10 30 CCEEHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCCN1C ZINC000330124786 279111651 /nfs/dbraw/zinc/11/16/51/279111651.db2.gz BHNYGTUZEQJLRH-HZSPNIEDSA-N 1 3 298.431 0.382 10 30 CCEEHO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1CCN(C2CC2)CC1 ZINC000262777936 330030879 /nfs/dbraw/zinc/03/08/79/330030879.db2.gz KBPCTRKOBLLVKM-WFASDCNBSA-N 1 3 294.443 0.939 10 30 CCEEHO C[NH+]=C(NCCn1cncn1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261983419 624977554 /nfs/dbraw/zinc/97/75/54/624977554.db2.gz PMVIIRUGYNCODN-CHWSQXEVSA-N 1 3 293.419 0.172 10 30 CCEEHO C#CCN1CCC(C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000116788826 389134747 /nfs/dbraw/zinc/13/47/47/389134747.db2.gz JBDFWPWJEJYDOI-OAHLLOKOSA-N 1 3 293.411 0.121 10 30 CCEEHO C[NH+]=C(NCC(=O)NC(C)C)NC1CCN(C2CC2)CC1 ZINC000131450580 264371887 /nfs/dbraw/zinc/37/18/87/264371887.db2.gz UTLVZJGLVBLLMM-UHFFFAOYSA-N 1 3 295.431 0.303 10 30 CCEEHO C#CCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862497 330330387 /nfs/dbraw/zinc/33/03/87/330330387.db2.gz OZMHUSFFPRXCMH-KBPBESRZSA-N 1 3 295.427 0.149 10 30 CCEEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594436665 360306040 /nfs/dbraw/zinc/30/60/40/360306040.db2.gz PMCHGIDUQZRIQC-NEPJUHHUSA-N 1 3 252.362 0.560 10 30 CCEEHO C#CCNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]CC ZINC000262007608 352569474 /nfs/dbraw/zinc/56/94/74/352569474.db2.gz VYDAQRMLSOACAK-CHWSQXEVSA-N 1 3 250.390 0.903 10 30 CCEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCC(=O)N1 ZINC000262926041 330036905 /nfs/dbraw/zinc/03/69/05/330036905.db2.gz ZVAPMZLLJSSBPM-NEPJUHHUSA-N 1 3 281.404 0.044 10 30 CCEEHO CN(C)CCOc1cnccc1CNC1=[NH+]CCCN1C ZINC000263156368 330046369 /nfs/dbraw/zinc/04/63/69/330046369.db2.gz PYRVFCFTZGLLGU-UHFFFAOYSA-N 1 3 291.399 0.803 10 30 CCEEHO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594436667 360305494 /nfs/dbraw/zinc/30/54/94/360305494.db2.gz PMCHGIDUQZRIQC-RYUDHWBXSA-N 1 3 252.362 0.560 10 30 CCEEHO CC[C@](C)(C=O)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653414 523451833 /nfs/dbraw/zinc/45/18/33/523451833.db2.gz AGPHLFLHEJLDOP-AWEZNQCLSA-N 1 3 255.406 0.781 10 30 CCEEHO C[NH+]=C(NCc1nc(C)no1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261983321 624974692 /nfs/dbraw/zinc/97/46/92/624974692.db2.gz PJCDWMUWCHQFGM-CMPLNLGQSA-N 1 3 294.403 0.772 10 30 CCEEHO C=CCN1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000171737229 329079729 /nfs/dbraw/zinc/07/97/29/329079729.db2.gz SMFQREHMODTOPJ-CQSZACIVSA-N 1 3 280.416 0.982 10 30 CCEEHO C[NH+]=C(NC[C@H](C)N(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261996559 631746965 /nfs/dbraw/zinc/74/69/65/631746965.db2.gz SPQCENJUBBUGRP-HZSPNIEDSA-N 1 3 283.464 0.830 10 30 CCEEHO C[C@H]1C[NH+]=C(NCc2ccncc2OCCN(C)C)N1 ZINC000262262981 330003023 /nfs/dbraw/zinc/00/30/23/330003023.db2.gz GRRMXLUAVVHVJI-NSHDSACASA-N 1 3 277.372 0.459 10 30 CCEEHO C#CCN1CCC(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000195336398 389124362 /nfs/dbraw/zinc/12/43/62/389124362.db2.gz IZJAKAVHNWQMAA-HNNXBMFYSA-N 1 3 275.396 0.638 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(C)[nH]c1=O ZINC000262299047 330004987 /nfs/dbraw/zinc/00/49/87/330004987.db2.gz ZFYSWGDBEWQBMS-GFCCVEGCSA-N 1 3 292.387 0.379 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H]1O ZINC000262503263 330018274 /nfs/dbraw/zinc/01/82/74/330018274.db2.gz ATGZVFYNLOMVKM-JHJVBQTASA-N 1 3 268.405 0.536 10 30 CCEEHO C=CCN1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000171737233 329079681 /nfs/dbraw/zinc/07/96/81/329079681.db2.gz SMFQREHMODTOPJ-AWEZNQCLSA-N 1 3 280.416 0.982 10 30 CCEEHO C#CCN1CCC(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000116788828 329545329 /nfs/dbraw/zinc/54/53/29/329545329.db2.gz JBDFWPWJEJYDOI-HNNXBMFYSA-N 1 3 293.411 0.121 10 30 CCEEHO CCN1CCC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440496 360308854 /nfs/dbraw/zinc/30/88/54/360308854.db2.gz DPJOYDCNXCQSFS-CHWSQXEVSA-N 1 3 266.389 0.998 10 30 CCEEHO C#CCNC(N[C@@H]1CN(C(C)C)C[C@@H]1C)=[NH+]CC ZINC000158206322 389337958 /nfs/dbraw/zinc/33/79/58/389337958.db2.gz VYDAQRMLSOACAK-QWHCGFSZSA-N 1 3 250.390 0.903 10 30 CCEEHO CC[C@@](C)(C=O)CN1CCN(CC[NH+](C)C)CC1 ZINC000061653415 523629789 /nfs/dbraw/zinc/62/97/89/523629789.db2.gz AGPHLFLHEJLDOP-CQSZACIVSA-N 1 3 255.406 0.781 10 30 CCEEHO C[NH+]=C(NCCO)N[C@H]1CCN(C2CCCC2)C1 ZINC000262785769 330031403 /nfs/dbraw/zinc/03/14/03/330031403.db2.gz MJQPDHZPSQFBNC-NSHDSACASA-N 1 3 254.378 0.161 10 30 CCEEHO C[NH+]=C(NC[C@@H]1CCCN1C)N[C@@H]1CCN(C2CC2)C1 ZINC000262779824 330031181 /nfs/dbraw/zinc/03/11/81/330031181.db2.gz LGWGBQQDENUURD-OCCSQVGLSA-N 1 3 279.432 0.482 10 30 CCEEHO C=CCN1CCC(NC(NC[C@@H]2CCC[C@@H]2O)=[NH+]C)CC1 ZINC000262820207 330034056 /nfs/dbraw/zinc/03/40/56/330034056.db2.gz XYVPMYHGJNODLZ-ZFWWWQNUSA-N 1 3 294.443 0.963 10 30 CCEEHO C[NH+]=C(NCc1noc(C)n1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262025111 631761023 /nfs/dbraw/zinc/76/10/23/631761023.db2.gz ZNDBPFOELBWDQE-ZYHUDNBSSA-N 1 3 294.403 0.772 10 30 CCEEHO C=CCN1CCC(NC(NC[C@@H]2CCC[C@H]2O)=[NH+]C)CC1 ZINC000262820200 330034072 /nfs/dbraw/zinc/03/40/72/330034072.db2.gz XYVPMYHGJNODLZ-DZGCQCFKSA-N 1 3 294.443 0.963 10 30 CCEEHO C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262326082 330006173 /nfs/dbraw/zinc/00/61/73/330006173.db2.gz TXWZQOGOSBZFQR-GFCCVEGCSA-N 1 3 295.431 0.257 10 30 CCEEHO C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245613790 649646554 /nfs/dbraw/zinc/64/65/54/649646554.db2.gz MBVVYVCTTNRFCI-QWHCGFSZSA-N 1 3 297.447 0.405 10 30 CCEEHO C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261958239 631731304 /nfs/dbraw/zinc/73/13/04/631731304.db2.gz JJRSCFURJDLKGP-WCQYABFASA-N 1 3 295.431 0.159 10 30 CCEEHO N#Cc1cnc(Nc2cc(NCCC[NH3+])c(N)cn2)cn1 ZINC000098178643 349654084 /nfs/dbraw/zinc/65/40/84/349654084.db2.gz DRSNLIAXOITDFE-UHFFFAOYSA-N 1 3 284.327 0.830 10 30 CCEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCC(=O)N1 ZINC000262926048 330036917 /nfs/dbraw/zinc/03/69/17/330036917.db2.gz ZVAPMZLLJSSBPM-RYUDHWBXSA-N 1 3 281.404 0.044 10 30 CCEEHO C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261980190 624962323 /nfs/dbraw/zinc/96/23/23/624962323.db2.gz OSJSVGWGYRBDNQ-BFHYXJOUSA-N 1 3 298.431 0.296 10 30 CCEEHO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262012606 631755381 /nfs/dbraw/zinc/75/53/81/631755381.db2.gz WYJXMAFKJUKUOR-QWHCGFSZSA-N 1 3 282.432 0.795 10 30 CCEEHO C[NH+](C)[C@H]1CCN(C(=O)c2sccc2C#CCN)C1 ZINC000104292856 185957543 /nfs/dbraw/zinc/95/75/43/185957543.db2.gz PKHHOQMXFYSAOD-LBPRGKRZSA-N 1 3 277.393 0.834 10 30 CCEEHO C#CCN1CCC(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000195336389 389124455 /nfs/dbraw/zinc/12/44/55/389124455.db2.gz IZJAKAVHNWQMAA-OAHLLOKOSA-N 1 3 275.396 0.638 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249839931 261258701 /nfs/dbraw/zinc/25/87/01/261258701.db2.gz NMASOULQNADSRA-RQJABVFESA-N 1 3 280.416 0.943 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249839937 261258709 /nfs/dbraw/zinc/25/87/09/261258709.db2.gz NMASOULQNADSRA-XJFOESAGSA-N 1 3 280.416 0.943 10 30 CCEEHO C[NH+]=C(NCCNC(C)=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000262882542 330036011 /nfs/dbraw/zinc/03/60/11/330036011.db2.gz FPPHKALEDWDFIR-ZDUSSCGKSA-N 1 3 295.431 0.304 10 30 CCEEHO C#CCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862500 330330514 /nfs/dbraw/zinc/33/05/14/330330514.db2.gz OZMHUSFFPRXCMH-KGLIPLIRSA-N 1 3 295.427 0.149 10 30 CCEEHO CCN(CCO)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609416 521121984 /nfs/dbraw/zinc/12/19/84/521121984.db2.gz DQQHGSKZPXKBPU-UHFFFAOYSA-N 1 3 250.317 0.950 10 30 CCEEHO C[NH+]=C(NC[C@H](C)N(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261996566 631747119 /nfs/dbraw/zinc/74/71/19/631747119.db2.gz SPQCENJUBBUGRP-MELADBBJSA-N 1 3 283.464 0.830 10 30 CCEEHO C#CCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000247200871 389236738 /nfs/dbraw/zinc/23/67/38/389236738.db2.gz OZMHUSFFPRXCMH-ZIAGYGMSSA-N 1 3 295.427 0.149 10 30 CCEEHO CC[NH+]=C(NC[C@@H]1CCCN1C)N[C@H]1CCN(C2CC2)C1 ZINC000262808225 330033047 /nfs/dbraw/zinc/03/30/47/330033047.db2.gz QKQSIZFFNMOOBG-ZFWWWQNUSA-N 1 3 293.459 0.872 10 30 CCEEHO C[NH+]=C(NCCNC(C)=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262882537 330036106 /nfs/dbraw/zinc/03/61/06/330036106.db2.gz FPPHKALEDWDFIR-CYBMUJFWSA-N 1 3 295.431 0.304 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190092650 264390899 /nfs/dbraw/zinc/39/08/99/264390899.db2.gz NMASOULQNADSRA-AAVRWANBSA-N 1 3 280.416 0.943 10 30 CCEEHO C[NH+]=C(NCCO)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262785768 330031363 /nfs/dbraw/zinc/03/13/63/330031363.db2.gz MJQPDHZPSQFBNC-LLVKDONJSA-N 1 3 254.378 0.161 10 30 CCEEHO N#CCCCC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000594438294 360306786 /nfs/dbraw/zinc/30/67/86/360306786.db2.gz NUIOESUWWXXLHC-QWHCGFSZSA-N 1 3 264.373 0.704 10 30 CCEEHO N#CCCCC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000594438294 360306792 /nfs/dbraw/zinc/30/67/92/360306792.db2.gz NUIOESUWWXXLHC-QWHCGFSZSA-N 1 3 264.373 0.704 10 30 CCEEHO CCN1CCC[C@H]1CN(C)C(NCC1(O)CCC1)=[NH+]C ZINC000262796334 330032008 /nfs/dbraw/zinc/03/20/08/330032008.db2.gz PSQSHDIDYZONPH-ZDUSSCGKSA-N 1 3 282.432 0.893 10 30 CCEEHO C[NH+]=C(NCCn1ccnc1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261971665 631740343 /nfs/dbraw/zinc/74/03/43/631740343.db2.gz MXWNRXNLKFTSPS-UONOGXRCSA-N 1 3 292.431 0.777 10 30 CCEEHO N#CCCCC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594438293 360307698 /nfs/dbraw/zinc/30/76/98/360307698.db2.gz NUIOESUWWXXLHC-OLZOCXBDSA-N 1 3 264.373 0.704 10 30 CCEEHO N#CCCCC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000594438293 360307699 /nfs/dbraw/zinc/30/76/99/360307699.db2.gz NUIOESUWWXXLHC-OLZOCXBDSA-N 1 3 264.373 0.704 10 30 CCEEHO C[NH+]=C(NCc1noc(C)n1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158430819 649306142 /nfs/dbraw/zinc/30/61/42/649306142.db2.gz ZNDBPFOELBWDQE-CMPLNLGQSA-N 1 3 294.403 0.772 10 30 CCEEHO CCN1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440497 360310506 /nfs/dbraw/zinc/31/05/06/360310506.db2.gz DPJOYDCNXCQSFS-OLZOCXBDSA-N 1 3 266.389 0.998 10 30 CCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1O ZINC000262503267 330018393 /nfs/dbraw/zinc/01/83/93/330018393.db2.gz ATGZVFYNLOMVKM-XQQFMLRXSA-N 1 3 268.405 0.536 10 30 CCEEHO