smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001088375567 806157963 /nfs/dbraw/zinc/15/79/63/806157963.db2.gz KTDNSOHFUMUIST-HZPDHXFCSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCCC[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480672 802913932 /nfs/dbraw/zinc/91/39/32/802913932.db2.gz PVIIEBFDPURAEJ-UHFFFAOYSA-N 1 3 295.471 2.171 20 30 CEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267887943 803801914 /nfs/dbraw/zinc/80/19/14/803801914.db2.gz RTWUWULAPXIPNV-JKSUJKDBSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001269799043 805255529 /nfs/dbraw/zinc/25/55/29/805255529.db2.gz QESKLURWMFIMCH-MRXNPFEDSA-N 1 3 295.471 2.121 20 30 CEEDHO C#Cc1cccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC001231660564 807183280 /nfs/dbraw/zinc/18/32/80/807183280.db2.gz IETHYHFHXNUNBC-QGZVFWFLSA-N 1 3 254.377 2.196 20 30 CEEDHO C#Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC001231660564 807183285 /nfs/dbraw/zinc/18/32/85/807183285.db2.gz IETHYHFHXNUNBC-QGZVFWFLSA-N 1 3 254.377 2.196 20 30 CEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015499832 810298201 /nfs/dbraw/zinc/29/82/01/810298201.db2.gz QYULJVBUWXZFIC-OAHLLOKOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015499832 810298205 /nfs/dbraw/zinc/29/82/05/810298205.db2.gz QYULJVBUWXZFIC-OAHLLOKOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH+](CCCC)CC1 ZINC001121996226 815375788 /nfs/dbraw/zinc/37/57/88/815375788.db2.gz FLYQJGNQHJIOTD-HNNXBMFYSA-N 1 3 281.444 2.051 20 30 CEEDHO C=CCCCCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129950739 812519782 /nfs/dbraw/zinc/51/97/82/812519782.db2.gz ZCTMEGWUBZFKEA-HNNXBMFYSA-N 1 3 283.460 2.025 20 30 CEEDHO C=C(C)CN1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433037 812847085 /nfs/dbraw/zinc/84/70/85/812847085.db2.gz JRDYKJAQRQPJFH-HZPDHXFCSA-N 1 3 295.471 2.264 20 30 CEEDHO C#CC[N@H+](C)CCCNCc1cnc2ccccc2c1 ZINC000392946947 813309636 /nfs/dbraw/zinc/30/96/36/813309636.db2.gz UUOINLYSKUUGQB-UHFFFAOYSA-N 1 3 267.376 2.280 20 30 CEEDHO C#CC[N@@H+](C)CCCNCc1cnc2ccccc2c1 ZINC000392946947 813309643 /nfs/dbraw/zinc/30/96/43/813309643.db2.gz UUOINLYSKUUGQB-UHFFFAOYSA-N 1 3 267.376 2.280 20 30 CEEDHO N#Cc1ccc(CCN2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601334985 346823567 /nfs/dbraw/zinc/82/35/67/346823567.db2.gz PSKCJFDHDYVXOE-IRXDYDNUSA-N 1 3 269.392 2.175 20 30 CEEDHO N#Cc1ccc(CC[N@@H+]2CCC[C@H]3CNCC[C@@H]32)cc1 ZINC000601334985 346823568 /nfs/dbraw/zinc/82/35/68/346823568.db2.gz PSKCJFDHDYVXOE-IRXDYDNUSA-N 1 3 269.392 2.175 20 30 CEEDHO N#Cc1ccc(CC[N@H+]2CCC[C@H]3CNCC[C@@H]32)cc1 ZINC000601334985 346823571 /nfs/dbraw/zinc/82/35/71/346823571.db2.gz PSKCJFDHDYVXOE-IRXDYDNUSA-N 1 3 269.392 2.175 20 30 CEEDHO N#C[C@H]1CCC[C@@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000593320244 345466084 /nfs/dbraw/zinc/46/60/84/345466084.db2.gz BNRQVSPXVMDVOG-SMDDNHRTSA-N 1 3 261.344 2.456 20 30 CEEDHO CC(C)[C@H]([NH3+])CCN(C)CCc1ccc(C#N)cc1 ZINC000595890294 345907909 /nfs/dbraw/zinc/90/79/09/345907909.db2.gz FRGWZVJMJPQKAZ-MRXNPFEDSA-N 1 3 259.397 2.406 20 30 CEEDHO N#Cc1ccc(CCN2CCCC[C@H]2CC[NH3+])cc1 ZINC000595895416 345908776 /nfs/dbraw/zinc/90/87/76/345908776.db2.gz LYQDVEVNCMMOQW-INIZCTEOSA-N 1 3 257.381 2.304 20 30 CEEDHO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2CCN)cc1 ZINC000595895416 345908778 /nfs/dbraw/zinc/90/87/78/345908778.db2.gz LYQDVEVNCMMOQW-INIZCTEOSA-N 1 3 257.381 2.304 20 30 CEEDHO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2CCN)cc1 ZINC000595895416 345908781 /nfs/dbraw/zinc/90/87/81/345908781.db2.gz LYQDVEVNCMMOQW-INIZCTEOSA-N 1 3 257.381 2.304 20 30 CEEDHO C[C@H](CCNC[C@H](O)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000598723121 346408944 /nfs/dbraw/zinc/40/89/44/346408944.db2.gz FEVMTKMFHAZRGN-HUUCEWRRSA-N 1 3 281.444 2.141 20 30 CEEDHO C[C@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)N1CCCCC1 ZINC000598723121 346408948 /nfs/dbraw/zinc/40/89/48/346408948.db2.gz FEVMTKMFHAZRGN-HUUCEWRRSA-N 1 3 281.444 2.141 20 30 CEEDHO CN1CCCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000598994835 346443257 /nfs/dbraw/zinc/44/32/57/346443257.db2.gz UAFYNPOBAKRRIM-MRXNPFEDSA-N 1 3 257.381 2.380 20 30 CEEDHO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000602657900 347127668 /nfs/dbraw/zinc/12/76/68/347127668.db2.gz TZPUHUYHRVYZCC-WBVHZDCISA-N 1 3 292.471 2.027 20 30 CEEDHO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000602657900 347127670 /nfs/dbraw/zinc/12/76/70/347127670.db2.gz TZPUHUYHRVYZCC-WBVHZDCISA-N 1 3 292.471 2.027 20 30 CEEDHO C[NH+]1CCC(N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807803 349044934 /nfs/dbraw/zinc/04/49/34/349044934.db2.gz XCTNFQGWOGVQSM-INIZCTEOSA-N 1 3 255.365 2.229 20 30 CEEDHO CN1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C[C@@H]2C1 ZINC000618765116 349038964 /nfs/dbraw/zinc/03/89/64/349038964.db2.gz HZHVRQJIDMVJMD-IYBDPMFKSA-N 1 3 283.419 2.481 20 30 CEEDHO CN1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C[C@@H]2C1 ZINC000618765116 349038968 /nfs/dbraw/zinc/03/89/68/349038968.db2.gz HZHVRQJIDMVJMD-IYBDPMFKSA-N 1 3 283.419 2.481 20 30 CEEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000332378144 283058603 /nfs/dbraw/zinc/05/86/03/283058603.db2.gz FMQPJGBNFQHOCR-XLNGHYISSA-N 1 3 291.439 2.036 20 30 CEEDHO C=C(C)[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401191 541408673 /nfs/dbraw/zinc/40/86/73/541408673.db2.gz IHDBEYHRQBBLCP-LZWOXQAQSA-N 1 3 266.429 2.166 20 30 CEEDHO N#Cc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252858251 371484540 /nfs/dbraw/zinc/48/45/40/371484540.db2.gz LUWODUSFCORUMP-HRCADAONSA-N 1 3 255.365 2.117 20 30 CEEDHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423243073 377162150 /nfs/dbraw/zinc/16/21/50/377162150.db2.gz GDIWBXDEBYCULR-NWDGAFQWSA-N 1 3 261.344 2.348 20 30 CEEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000555949327 380860537 /nfs/dbraw/zinc/86/05/37/380860537.db2.gz PVBVRBPSYNXDAG-ZTFGCOKTSA-N 1 3 299.418 2.035 20 30 CEEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000555949327 380860546 /nfs/dbraw/zinc/86/05/46/380860546.db2.gz PVBVRBPSYNXDAG-ZTFGCOKTSA-N 1 3 299.418 2.035 20 30 CEEDHO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000555949327 380860547 /nfs/dbraw/zinc/86/05/47/380860547.db2.gz PVBVRBPSYNXDAG-ZTFGCOKTSA-N 1 3 299.418 2.035 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000347121213 533322893 /nfs/dbraw/zinc/32/28/93/533322893.db2.gz YVPONWKVOZLFNB-QWHCGFSZSA-N 1 3 273.380 2.392 20 30 CEEDHO CCN(C)Cc1cccc(CNC(=[NH2+])N(CC)CC)c1 ZINC000104178405 394718604 /nfs/dbraw/zinc/71/86/04/394718604.db2.gz ZHZPGGBTZYTHLV-UHFFFAOYSA-N 1 3 276.428 2.295 20 30 CEEDHO C[C@H](NCCOCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339086200 394942053 /nfs/dbraw/zinc/94/20/53/394942053.db2.gz ZPOKLZJOTUIPIC-LSDHHAIUSA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@H](NCCOCCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086200 394942056 /nfs/dbraw/zinc/94/20/56/394942056.db2.gz ZPOKLZJOTUIPIC-LSDHHAIUSA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@H]([NH2+]CCOCCC#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000339086200 394942060 /nfs/dbraw/zinc/94/20/60/394942060.db2.gz ZPOKLZJOTUIPIC-LSDHHAIUSA-N 1 3 279.428 2.159 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000152941112 394999903 /nfs/dbraw/zinc/99/99/03/394999903.db2.gz QVZFJJFBOKZKIL-GDBMZVCRSA-N 1 3 265.445 2.099 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289685886 395083923 /nfs/dbraw/zinc/08/39/23/395083923.db2.gz HZISHMBYTZWCAM-BHYGNILZSA-N 1 3 274.408 2.034 20 30 CEEDHO C=C(C)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000351735294 395232731 /nfs/dbraw/zinc/23/27/31/395232731.db2.gz MBUADEKHJTYKQV-UHFFFAOYSA-N 1 3 279.472 2.443 20 30 CEEDHO C=C(C)CCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000351843782 395237767 /nfs/dbraw/zinc/23/77/67/395237767.db2.gz HTIOCAFZKGCOSJ-IRXDYDNUSA-N 1 3 279.472 2.443 20 30 CEEDHO C[C@@H](CCC#N)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000411522245 395330134 /nfs/dbraw/zinc/33/01/34/395330134.db2.gz DIVGNWITTISVOC-INIZCTEOSA-N 1 3 292.471 2.028 20 30 CEEDHO C=CCN(CC1CCCCC1)C[C@@](C)(O)C[NH2+]C ZINC000572049331 395585345 /nfs/dbraw/zinc/58/53/45/395585345.db2.gz SBZLZHKUHUIOQR-HNNXBMFYSA-N 1 3 254.418 2.025 20 30 CEEDHO C=CC[N@H+](CC1CCCCC1)C[C@@](C)(O)CNC ZINC000572049331 395585346 /nfs/dbraw/zinc/58/53/46/395585346.db2.gz SBZLZHKUHUIOQR-HNNXBMFYSA-N 1 3 254.418 2.025 20 30 CEEDHO C=CC[N@@H+](CC1CCCCC1)C[C@@](C)(O)CNC ZINC000572049331 395585349 /nfs/dbraw/zinc/58/53/49/395585349.db2.gz SBZLZHKUHUIOQR-HNNXBMFYSA-N 1 3 254.418 2.025 20 30 CEEDHO C=CC[C@H]1CC[C@H]([NH2+]CCCCN2CCN(C)CC2)C1 ZINC000651676847 401369975 /nfs/dbraw/zinc/36/99/75/401369975.db2.gz PRQQADMZTSLODS-IRXDYDNUSA-N 1 3 279.472 2.348 20 30 CEEDHO C[NH+]1CCC2(CCCN(Cc3ccc(C#N)o3)C2)CC1 ZINC000366956656 156109169 /nfs/dbraw/zinc/10/91/69/156109169.db2.gz VMIZKYGQYZMMJY-UHFFFAOYSA-N 1 3 273.380 2.459 20 30 CEEDHO CC(C#N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000347082915 226042646 /nfs/dbraw/zinc/04/26/46/226042646.db2.gz YNWLJIFINMMXJH-AWEZNQCLSA-N 1 3 277.412 2.451 20 30 CEEDHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423337866 270899713 /nfs/dbraw/zinc/89/97/13/270899713.db2.gz HSHRVMMZVMJGPH-NSHDSACASA-N 1 3 259.328 2.268 20 30 CEEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350954209 277770371 /nfs/dbraw/zinc/77/03/71/277770371.db2.gz YIQRJESXKSYXOC-OAHLLOKOSA-N 1 3 295.471 2.073 20 30 CEEDHO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000186702383 327700268 /nfs/dbraw/zinc/70/02/68/327700268.db2.gz GNJMIIJEXUQCTL-ZBFHGGJFSA-N 1 3 292.423 2.215 20 30 CEEDHO C=C(C)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339660484 328012576 /nfs/dbraw/zinc/01/25/76/328012576.db2.gz HAIDNERCVZRRDK-YIONKMFJSA-N 1 3 252.402 2.136 20 30 CEEDHO C=C(C)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339660484 328012577 /nfs/dbraw/zinc/01/25/77/328012577.db2.gz HAIDNERCVZRRDK-YIONKMFJSA-N 1 3 252.402 2.136 20 30 CEEDHO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCCN2CCCC2)O1 ZINC000378448106 329050790 /nfs/dbraw/zinc/05/07/90/329050790.db2.gz BPFVTQXYEXXILN-VQHPVUNQSA-N 1 3 291.439 2.302 20 30 CEEDHO CC#CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177494429 329184937 /nfs/dbraw/zinc/18/49/37/329184937.db2.gz GTCGDGZORVURSX-HZPDHXFCSA-N 1 3 278.440 2.221 20 30 CEEDHO C=CCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000132681468 329648251 /nfs/dbraw/zinc/64/82/51/329648251.db2.gz IBCNVNNPRHMGLB-HZPDHXFCSA-N 1 3 265.445 2.053 20 30 CEEDHO CN(C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C1CC1 ZINC000262301888 330005093 /nfs/dbraw/zinc/00/50/93/330005093.db2.gz QLIDRIPUFJRGNC-ZDUSSCGKSA-N 1 3 282.338 2.032 20 30 CEEDHO COC[C@@H](CCC[NH3+])N[C@H](CCC#N)c1ccccc1 ZINC000422994128 330163272 /nfs/dbraw/zinc/16/32/72/330163272.db2.gz HARLSKQOFDBZHO-HZPDHXFCSA-N 1 3 275.396 2.375 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423105657 330170592 /nfs/dbraw/zinc/17/05/92/330170592.db2.gz ZDYLOSVHFBVXNF-JDFRZJQESA-N 1 3 289.423 2.481 20 30 CEEDHO C=CCC[C@@H](CCC)NC[C@@]1(COC)CCC[NH2+]1 ZINC000423447429 330202670 /nfs/dbraw/zinc/20/26/70/330202670.db2.gz ZQSKGZTXQKYQEJ-HUUCEWRRSA-N 1 3 254.418 2.480 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000247950154 334292067 /nfs/dbraw/zinc/29/20/67/334292067.db2.gz DYZCVTCSYVRBNC-RDJZCZTQSA-N 1 3 279.472 2.347 20 30 CEEDHO N#CCC[C@H](C#N)CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000552788152 334344917 /nfs/dbraw/zinc/34/49/17/334344917.db2.gz OUIKXJBYIIZBSD-MRXNPFEDSA-N 1 3 297.406 2.331 20 30 CEEDHO C=CCC[C@H](CC)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353669914 527465616 /nfs/dbraw/zinc/46/56/16/527465616.db2.gz KHPIXXYZSLQRHJ-INIZCTEOSA-N 1 3 295.471 2.313 20 30 CEEDHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)C#N)C1 ZINC000347102707 529216203 /nfs/dbraw/zinc/21/62/03/529216203.db2.gz HTSQWTKLNKZMEW-STQMWFEESA-N 1 3 265.401 2.163 20 30 CEEDHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)C#N)C1 ZINC000347102707 529216204 /nfs/dbraw/zinc/21/62/04/529216204.db2.gz HTSQWTKLNKZMEW-STQMWFEESA-N 1 3 265.401 2.163 20 30 CEEDHO CC(C#N)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000746163576 575150262 /nfs/dbraw/zinc/15/02/62/575150262.db2.gz PFCDGWFQZHRHMO-AWEZNQCLSA-N 1 3 265.401 2.309 20 30 CEEDHO CC1(C)[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]2CCCN[C@@H]21 ZINC000925710668 628559797 /nfs/dbraw/zinc/55/97/97/628559797.db2.gz BQAPKQYHHVLUKD-IXDOHACOSA-N 1 3 283.419 2.467 20 30 CEEDHO CC1(C)[C@H](NCCc2ccc(C#N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710668 628559800 /nfs/dbraw/zinc/55/98/00/628559800.db2.gz BQAPKQYHHVLUKD-IXDOHACOSA-N 1 3 283.419 2.467 20 30 CEEDHO C[N@@H+]1CCC[C@H](CCNCC#Cc2ccccc2)C1 ZINC000894861550 629700742 /nfs/dbraw/zinc/70/07/42/629700742.db2.gz UWXAWQLDOACLMU-QGZVFWFLSA-N 1 3 256.393 2.360 20 30 CEEDHO C[N@H+]1CCC[C@H](CCNCC#Cc2ccccc2)C1 ZINC000894861550 629700744 /nfs/dbraw/zinc/70/07/44/629700744.db2.gz UWXAWQLDOACLMU-QGZVFWFLSA-N 1 3 256.393 2.360 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911737624 638386543 /nfs/dbraw/zinc/38/65/43/638386543.db2.gz XEFDGALQZJQPIB-HUUCEWRRSA-N 1 3 283.460 2.275 20 30 CEEDHO COc1cc(CNCc2ccc(CC[NH3+])cc2)ccc1C#N ZINC000841033492 639624848 /nfs/dbraw/zinc/62/48/48/639624848.db2.gz PDJWXILHUNBPNQ-UHFFFAOYSA-N 1 3 295.386 2.358 20 30 CEEDHO CC[NH+]1CCC(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877019978 650533669 /nfs/dbraw/zinc/53/36/69/650533669.db2.gz VRVBFFNOWNQUEM-UHFFFAOYSA-N 1 3 292.814 2.428 20 30 CEEDHO C#CCCOc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000848545761 642046505 /nfs/dbraw/zinc/04/65/05/642046505.db2.gz JQARQXYOGGAMCQ-UHFFFAOYSA-N 1 3 272.392 2.274 20 30 CEEDHO C[C@@H]1CC[C@H](CN)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000923424985 643703929 /nfs/dbraw/zinc/70/39/29/643703929.db2.gz VVBBCPKSSVDXIA-DLTLXFJOSA-N 1 3 287.407 2.039 20 30 CEEDHO C[C@@H]1CC[C@H](CN)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000923424985 643703931 /nfs/dbraw/zinc/70/39/31/643703931.db2.gz VVBBCPKSSVDXIA-DLTLXFJOSA-N 1 3 287.407 2.039 20 30 CEEDHO C[C@H](C#N)OCCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212422 645422057 /nfs/dbraw/zinc/42/20/57/645422057.db2.gz JMPCIMXRWLARMV-CQSZACIVSA-N 1 3 275.396 2.109 20 30 CEEDHO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247758 649608166 /nfs/dbraw/zinc/60/81/66/649608166.db2.gz TZUBOFQJFDSNHB-UONOGXRCSA-N 1 3 299.422 2.416 20 30 CEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027917575 804340490 /nfs/dbraw/zinc/34/04/90/804340490.db2.gz CDGGDGDDQMAPRJ-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027917575 804340496 /nfs/dbraw/zinc/34/04/96/804340496.db2.gz CDGGDGDDQMAPRJ-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001121991745 815374363 /nfs/dbraw/zinc/37/43/63/815374363.db2.gz ZKHYUFCEKDDEIQ-JKSUJKDBSA-N 1 3 295.471 2.298 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC001121991745 815374371 /nfs/dbraw/zinc/37/43/71/815374371.db2.gz ZKHYUFCEKDDEIQ-JKSUJKDBSA-N 1 3 295.471 2.298 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120207986 810608520 /nfs/dbraw/zinc/60/85/20/810608520.db2.gz PMANRQCBICWDMD-UHFFFAOYSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046314583 811733933 /nfs/dbraw/zinc/73/39/33/811733933.db2.gz DKNZPFBTFTXVMM-WBVHZDCISA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046314583 811733939 /nfs/dbraw/zinc/73/39/39/811733939.db2.gz DKNZPFBTFTXVMM-WBVHZDCISA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)CN1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433035 812847324 /nfs/dbraw/zinc/84/73/24/812847324.db2.gz JRDYKJAQRQPJFH-CVEARBPZSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052428184 812991557 /nfs/dbraw/zinc/99/15/57/812991557.db2.gz FNIMEHVQRYYKGZ-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052428184 812991565 /nfs/dbraw/zinc/99/15/65/812991565.db2.gz FNIMEHVQRYYKGZ-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCCCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133906183 813174844 /nfs/dbraw/zinc/17/48/44/813174844.db2.gz PBXCWWLOONDXEZ-UHFFFAOYSA-N 1 3 297.487 2.417 20 30 CEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099299688 813998233 /nfs/dbraw/zinc/99/82/33/813998233.db2.gz UHSNHXZYAHEQDV-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099299688 813998237 /nfs/dbraw/zinc/99/82/37/813998237.db2.gz UHSNHXZYAHEQDV-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO Cc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1C#N ZINC001139726094 816096582 /nfs/dbraw/zinc/09/65/82/816096582.db2.gz RJUQZYJWRYVXTC-UHFFFAOYSA-N 1 3 269.392 2.394 20 30 CEEDHO Cc1ccc(CN2CCC3(C[NH+](C)C3)CC2)cc1C#N ZINC001139726094 816096589 /nfs/dbraw/zinc/09/65/89/816096589.db2.gz RJUQZYJWRYVXTC-UHFFFAOYSA-N 1 3 269.392 2.394 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350816 816399627 /nfs/dbraw/zinc/39/96/27/816399627.db2.gz LBSUJFZDDQZYLO-ZDUSSCGKSA-N 1 3 292.427 2.101 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178755175 816792031 /nfs/dbraw/zinc/79/20/31/816792031.db2.gz NCJOEPFCZIRPRS-INIZCTEOSA-N 1 3 297.487 2.415 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179550423 816878606 /nfs/dbraw/zinc/87/86/06/816878606.db2.gz WEVVYWMDXDWASF-GJZGRUSLSA-N 1 3 295.471 2.119 20 30 CEEDHO N#Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000591573262 345265141 /nfs/dbraw/zinc/26/51/41/345265141.db2.gz CEOBJZYSGQZART-TZMCWYRMSA-N 1 3 263.772 2.429 20 30 CEEDHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1F ZINC000591579982 345266696 /nfs/dbraw/zinc/26/66/96/345266696.db2.gz DFXWUUXPOVZLLB-ABAIWWIYSA-N 1 3 273.355 2.490 20 30 CEEDHO N#Cc1cccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593314276 345465630 /nfs/dbraw/zinc/46/56/30/345465630.db2.gz BOFKHBVYSJWTDX-BZSNNMDCSA-N 1 3 299.418 2.277 20 30 CEEDHO Cc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1C#N ZINC000600708478 346675221 /nfs/dbraw/zinc/67/52/21/346675221.db2.gz CYKNRQHQFAIAQV-UHFFFAOYSA-N 1 3 269.392 2.442 20 30 CEEDHO Cc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600709071 346675249 /nfs/dbraw/zinc/67/52/49/346675249.db2.gz NYPZCYMZLVHIHD-XIRDDKMYSA-N 1 3 269.392 2.426 20 30 CEEDHO Cc1ccc(CN2CCC(CC[NH3+])CC2)cc1C#N ZINC000600711643 346675872 /nfs/dbraw/zinc/67/58/72/346675872.db2.gz UCEKIICVOYOVKM-UHFFFAOYSA-N 1 3 257.381 2.428 20 30 CEEDHO C=CC[C@H](Cc1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629579837 351420529 /nfs/dbraw/zinc/42/05/29/351420529.db2.gz KBWAXYKREOHFEQ-QZTJIDSGSA-N 1 3 288.435 2.220 20 30 CEEDHO C#CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821226 364110412 /nfs/dbraw/zinc/11/04/12/364110412.db2.gz RHRKBTCRTGSTKA-UHFFFAOYSA-N 1 3 257.381 2.253 20 30 CEEDHO C#CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821226 364110419 /nfs/dbraw/zinc/11/04/19/364110419.db2.gz RHRKBTCRTGSTKA-UHFFFAOYSA-N 1 3 257.381 2.253 20 30 CEEDHO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCNC2)CC1 ZINC000335498935 364793223 /nfs/dbraw/zinc/79/32/23/364793223.db2.gz ZFCJPFGQYLPXOV-CGZBRXJRSA-N 1 3 269.392 2.342 20 30 CEEDHO CCC[N@H+](CCN1CCN(CC)CC1)CCC(C)(C)C#N ZINC000344131698 368110072 /nfs/dbraw/zinc/11/00/72/368110072.db2.gz OFKLLKCNDDEZAE-UHFFFAOYSA-N 1 3 294.487 2.276 20 30 CEEDHO CCC[N@@H+](CCN1CCN(CC)CC1)CCC(C)(C)C#N ZINC000344131698 368110079 /nfs/dbraw/zinc/11/00/79/368110079.db2.gz OFKLLKCNDDEZAE-UHFFFAOYSA-N 1 3 294.487 2.276 20 30 CEEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000635020879 369057516 /nfs/dbraw/zinc/05/75/16/369057516.db2.gz NEDCWYOIXSUVAF-HZSPNIEDSA-N 1 3 254.418 2.321 20 30 CEEDHO CN(C)CC1(C[NH2+]Cc2cc(C#N)n(C)c2)CCCC1 ZINC000191597068 369726843 /nfs/dbraw/zinc/72/68/43/369726843.db2.gz GWMVDYWHGOKGRJ-UHFFFAOYSA-N 1 3 274.412 2.108 20 30 CEEDHO C=CCCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000367614752 373167135 /nfs/dbraw/zinc/16/71/35/373167135.db2.gz IFHVFCXADBWIRJ-KFWWJZLASA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCCOCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367614752 373167142 /nfs/dbraw/zinc/16/71/42/373167142.db2.gz IFHVFCXADBWIRJ-KFWWJZLASA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCCOCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367614752 373167148 /nfs/dbraw/zinc/16/71/48/373167148.db2.gz IFHVFCXADBWIRJ-KFWWJZLASA-N 1 3 252.402 2.042 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCNC3)CC2)cc1 ZINC000423218461 377133650 /nfs/dbraw/zinc/13/36/50/377133650.db2.gz VOMDMXFQXGDZOD-MRXNPFEDSA-N 1 3 298.434 2.116 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@@H](NCC2(CC#N)CC2)[C@H](C)C1 ZINC000430744692 377547686 /nfs/dbraw/zinc/54/76/86/377547686.db2.gz VKZJIPGZMSNCOQ-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO CCOCCC[N@H+]1CC[C@@H](NCC2(CC#N)CC2)[C@H](C)C1 ZINC000430744692 377547689 /nfs/dbraw/zinc/54/76/89/377547689.db2.gz VKZJIPGZMSNCOQ-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO C#CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290377270 395100850 /nfs/dbraw/zinc/10/08/50/395100850.db2.gz HWERWMHLWYMXPW-MAUKXSAKSA-N 1 3 286.419 2.471 20 30 CEEDHO C#CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290377270 395100853 /nfs/dbraw/zinc/10/08/53/395100853.db2.gz HWERWMHLWYMXPW-MAUKXSAKSA-N 1 3 286.419 2.471 20 30 CEEDHO C#C[C@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289081214 395069934 /nfs/dbraw/zinc/06/99/34/395069934.db2.gz AXWIULYJSFKMTF-HNNXBMFYSA-N 1 3 285.435 2.328 20 30 CEEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(C)(C)CCC#N ZINC000374253225 395077879 /nfs/dbraw/zinc/07/78/79/395077879.db2.gz GIVBZVFQMXNPSI-BZUAXINKSA-N 1 3 293.455 2.500 20 30 CEEDHO CC(C#N)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345814517 395079173 /nfs/dbraw/zinc/07/91/73/395079173.db2.gz KVDIQFQARMNXSH-HZSPNIEDSA-N 1 3 265.401 2.020 20 30 CEEDHO CC(C#N)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345814517 395079174 /nfs/dbraw/zinc/07/91/74/395079174.db2.gz KVDIQFQARMNXSH-HZSPNIEDSA-N 1 3 265.401 2.020 20 30 CEEDHO CCN1CC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429892 395296659 /nfs/dbraw/zinc/29/66/59/395296659.db2.gz VDIMEIAZVUVNKF-PBHICJAKSA-N 1 3 269.392 2.477 20 30 CEEDHO C[NH+](C)CCOc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442784146 395395131 /nfs/dbraw/zinc/39/51/31/395395131.db2.gz RKEQDAWLGDBQHR-ZBFHGGJFSA-N 1 3 287.407 2.409 20 30 CEEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(CC)CC2)C1 ZINC000651750323 401383271 /nfs/dbraw/zinc/38/32/71/401383271.db2.gz CWIWYCIGGQCYPF-IAGOWNOFSA-N 1 3 279.472 2.348 20 30 CEEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000651794290 401393288 /nfs/dbraw/zinc/39/32/88/401393288.db2.gz PZDUBDUDFZYTCD-CVEARBPZSA-N 1 3 279.472 2.347 20 30 CEEDHO C=CCOCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665263093 415656398 /nfs/dbraw/zinc/65/63/98/415656398.db2.gz GCNAKNMYGSMGPZ-KFWWJZLASA-N 1 3 252.402 2.089 20 30 CEEDHO CC(C#N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309783103 262020640 /nfs/dbraw/zinc/02/06/40/262020640.db2.gz LPNOMQFDYBPALO-FMKPAKJESA-N 1 3 285.391 2.173 20 30 CEEDHO CC(C#N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309783103 262020642 /nfs/dbraw/zinc/02/06/42/262020642.db2.gz LPNOMQFDYBPALO-FMKPAKJESA-N 1 3 285.391 2.173 20 30 CEEDHO N#Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000423105555 270838270 /nfs/dbraw/zinc/83/82/70/270838270.db2.gz QSSXNZONJHGZDV-HZPDHXFCSA-N 1 3 257.381 2.208 20 30 CEEDHO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCCN2CCCC2)O1 ZINC000378448101 329050750 /nfs/dbraw/zinc/05/07/50/329050750.db2.gz BPFVTQXYEXXILN-NCOADZHNSA-N 1 3 291.439 2.302 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000171566007 329077512 /nfs/dbraw/zinc/07/75/12/329077512.db2.gz LHHMVVBPSJEBPA-KFWWJZLASA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCOc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000572363942 330004696 /nfs/dbraw/zinc/00/46/96/330004696.db2.gz MKUMBFKUKALKRG-OLZOCXBDSA-N 1 3 278.396 2.475 20 30 CEEDHO C[C@@H]1C[NH+]=C(NC[C@H]2CCCN(C)[C@H]2c2cccs2)N1 ZINC000262682520 330026788 /nfs/dbraw/zinc/02/67/88/330026788.db2.gz WWAIJJBAJOCXLB-YRGRVCCFSA-N 1 3 292.452 2.068 20 30 CEEDHO NC(=[NH2+])NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000267134703 330064711 /nfs/dbraw/zinc/06/47/11/330064711.db2.gz DHKFTMOLGRNPIW-UHFFFAOYSA-N 1 3 296.418 2.352 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000424383810 330349581 /nfs/dbraw/zinc/34/95/81/330349581.db2.gz UKRDIAWQIIXDCS-SRMUXQRQSA-N 1 3 258.365 2.312 20 30 CEEDHO C=CCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000352258379 527326572 /nfs/dbraw/zinc/32/65/72/527326572.db2.gz WGWZSENIPYAJSK-GASCZTMLSA-N 1 3 266.429 2.384 20 30 CEEDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000742368384 575017470 /nfs/dbraw/zinc/01/74/70/575017470.db2.gz FKBWAXYCWRFPEV-HNNXBMFYSA-N 1 3 287.407 2.388 20 30 CEEDHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(CC#N)cc1 ZINC000926625582 625514740 /nfs/dbraw/zinc/51/47/40/625514740.db2.gz DUAUXXVVFJOLBA-SJPCQFCGSA-N 1 3 269.392 2.182 20 30 CEEDHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(CC#N)cc1 ZINC000926625582 625514746 /nfs/dbraw/zinc/51/47/46/625514746.db2.gz DUAUXXVVFJOLBA-SJPCQFCGSA-N 1 3 269.392 2.182 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[C@@H](C)[NH+](C)C ZINC000895292230 630080282 /nfs/dbraw/zinc/08/02/82/630080282.db2.gz NPLDUARTCUNZAP-ZIAGYGMSSA-N 1 3 267.417 2.015 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H](C)N(C)C ZINC000895292230 630080285 /nfs/dbraw/zinc/08/02/85/630080285.db2.gz NPLDUARTCUNZAP-ZIAGYGMSSA-N 1 3 267.417 2.015 20 30 CEEDHO C=CCN(Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723917 635237055 /nfs/dbraw/zinc/23/70/55/635237055.db2.gz ZJVLUADLQCPGSH-MSOLQXFVSA-N 1 3 286.419 2.443 20 30 CEEDHO C=CC[C@H]1CCC[N@@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903933796 635359177 /nfs/dbraw/zinc/35/91/77/635359177.db2.gz VNOUTHNHCLNKGH-HOTGVXAUSA-N 1 3 290.455 2.134 20 30 CEEDHO C=CC[C@H]1CCC[N@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903933796 635359181 /nfs/dbraw/zinc/35/91/81/635359181.db2.gz VNOUTHNHCLNKGH-HOTGVXAUSA-N 1 3 290.455 2.134 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CNC1CC[NH+](C)CC1 ZINC000921498231 641608450 /nfs/dbraw/zinc/60/84/50/641608450.db2.gz BQSLIKKFABPWRT-UHFFFAOYSA-N 1 3 257.381 2.359 20 30 CEEDHO CC(C)(C)[NH+]1CCC(NC[C@H](O)CC(C)(C)C#N)CC1 ZINC000857234389 644864876 /nfs/dbraw/zinc/86/48/76/644864876.db2.gz JXLZOIJDCBBTAL-CQSZACIVSA-N 1 3 281.444 2.140 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@H]1CCCCC[C@@H]1[NH3+])C2 ZINC000873274444 649620708 /nfs/dbraw/zinc/62/07/08/649620708.db2.gz DHIHAVASHDISKB-IKGGRYGDSA-N 1 3 269.392 2.275 20 30 CEEDHO CN1CC[C@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579908 651326487 /nfs/dbraw/zinc/32/64/87/651326487.db2.gz QDCFMOCGXKXRDG-DLBZAZTESA-N 1 3 269.392 2.127 20 30 CEEDHO CN1CC[C@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579908 651326489 /nfs/dbraw/zinc/32/64/89/651326489.db2.gz QDCFMOCGXKXRDG-DLBZAZTESA-N 1 3 269.392 2.127 20 30 CEEDHO C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001266816750 802919081 /nfs/dbraw/zinc/91/90/81/802919081.db2.gz ITODEXYSJSFLEL-HZPDHXFCSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879735 804316259 /nfs/dbraw/zinc/31/62/59/804316259.db2.gz XCUFHXOPCWGEFK-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879735 804316268 /nfs/dbraw/zinc/31/62/68/804316268.db2.gz XCUFHXOPCWGEFK-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001269980590 805301017 /nfs/dbraw/zinc/30/10/17/805301017.db2.gz HECFQRJVZYDBLC-HOTGVXAUSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)N(C)C ZINC001039294551 811005890 /nfs/dbraw/zinc/00/58/90/811005890.db2.gz IGBFZMLOMXLCOF-UYTSQGDYSA-N 1 3 293.455 2.014 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712362 812450118 /nfs/dbraw/zinc/45/01/18/812450118.db2.gz HLXAJLJQAZVVSE-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712362 812450121 /nfs/dbraw/zinc/45/01/21/812450121.db2.gz HLXAJLJQAZVVSE-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052717738 812452768 /nfs/dbraw/zinc/45/27/68/812452768.db2.gz YOXINVDELUUPTH-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052717738 812452775 /nfs/dbraw/zinc/45/27/75/812452775.db2.gz YOXINVDELUUPTH-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135475475 813442678 /nfs/dbraw/zinc/44/26/78/813442678.db2.gz AVZICTCMEZYCTM-LSDHHAIUSA-N 1 3 295.471 2.167 20 30 CEEDHO C#CCC[C@@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC001179489424 816867020 /nfs/dbraw/zinc/86/70/20/816867020.db2.gz NLOVBVNHEUFKMB-QGZVFWFLSA-N 1 3 278.440 2.147 20 30 CEEDHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748867 361928219 /nfs/dbraw/zinc/92/82/19/361928219.db2.gz ZVOPWJSXNWXECR-DVOMOZLQSA-N 1 3 257.381 2.377 20 30 CEEDHO CC[NH+](CC)[C@H](C)CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602508994 347061714 /nfs/dbraw/zinc/06/17/14/347061714.db2.gz DZFHUBUNVXLHHB-LSDHHAIUSA-N 1 3 281.444 2.405 20 30 CEEDHO CCN1CCN(CCCC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602510050 347061831 /nfs/dbraw/zinc/06/18/31/347061831.db2.gz IQKILOQXMCGJOK-UHFFFAOYSA-N 1 3 292.471 2.076 20 30 CEEDHO N#CCc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000592470743 345358579 /nfs/dbraw/zinc/35/85/79/345358579.db2.gz GRMNHKNBFOQOSN-HZPDHXFCSA-N 1 3 257.381 2.360 20 30 CEEDHO CN(CCc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000595328955 345763004 /nfs/dbraw/zinc/76/30/04/345763004.db2.gz CQJXRLKKMKPAOY-QGZVFWFLSA-N 1 3 271.408 2.374 20 30 CEEDHO CN(CCc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000595328955 345763007 /nfs/dbraw/zinc/76/30/07/345763007.db2.gz CQJXRLKKMKPAOY-QGZVFWFLSA-N 1 3 271.408 2.374 20 30 CEEDHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596652366 346072228 /nfs/dbraw/zinc/07/22/28/346072228.db2.gz SSNLCDTXEZBFSP-CJNGLKHVSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(C#N)cc1 ZINC000596652366 346072232 /nfs/dbraw/zinc/07/22/32/346072232.db2.gz SSNLCDTXEZBFSP-CJNGLKHVSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@H](CCNC(=O)C(C#N)CCc1ccccc1)[NH+](C)C ZINC000597992925 346265243 /nfs/dbraw/zinc/26/52/43/346265243.db2.gz PJWLVALARGGHHJ-ZBFHGGJFSA-N 1 3 287.407 2.215 20 30 CEEDHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CC(C)(C)C#N)C[C@@H]1C ZINC000598596878 346381129 /nfs/dbraw/zinc/38/11/29/346381129.db2.gz USPJGNDQXYRQTO-KKUMJFAQSA-N 1 3 281.444 2.092 20 30 CEEDHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CC(C)(C)C#N)C[C@@H]1C ZINC000598596878 346381132 /nfs/dbraw/zinc/38/11/32/346381132.db2.gz USPJGNDQXYRQTO-KKUMJFAQSA-N 1 3 281.444 2.092 20 30 CEEDHO N#Cc1ccccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000598680517 346400341 /nfs/dbraw/zinc/40/03/41/346400341.db2.gz ZHZDXJMTJFQJRD-WBVHZDCISA-N 1 3 269.392 2.380 20 30 CEEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598699647 346403210 /nfs/dbraw/zinc/40/32/10/346403210.db2.gz HFRCMRSJYISLJP-XHSDSOJGSA-N 1 3 295.471 2.245 20 30 CEEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598699647 346403213 /nfs/dbraw/zinc/40/32/13/346403213.db2.gz HFRCMRSJYISLJP-XHSDSOJGSA-N 1 3 295.471 2.245 20 30 CEEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598699647 346403216 /nfs/dbraw/zinc/40/32/16/346403216.db2.gz HFRCMRSJYISLJP-XHSDSOJGSA-N 1 3 295.471 2.245 20 30 CEEDHO C[C@@H](CCNC[C@H](O)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000598723122 346408865 /nfs/dbraw/zinc/40/88/65/346408865.db2.gz FEVMTKMFHAZRGN-LSDHHAIUSA-N 1 3 281.444 2.141 20 30 CEEDHO C[C@@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)N1CCCCC1 ZINC000598723122 346408868 /nfs/dbraw/zinc/40/88/68/346408868.db2.gz FEVMTKMFHAZRGN-LSDHHAIUSA-N 1 3 281.444 2.141 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(N)CCOCC1 ZINC000600712172 346675783 /nfs/dbraw/zinc/67/57/83/346675783.db2.gz VKWBNMQRKFWKET-MRXNPFEDSA-N 1 3 285.391 2.033 20 30 CEEDHO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)s1 ZINC000135678966 366467101 /nfs/dbraw/zinc/46/71/01/366467101.db2.gz ACHNGPZZMCXVKP-LLVKDONJSA-N 1 3 261.394 2.194 20 30 CEEDHO CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)N(C)C ZINC000170910421 367447544 /nfs/dbraw/zinc/44/75/44/367447544.db2.gz RTWHTNAKHJFELG-CYBMUJFWSA-N 1 3 277.416 2.175 20 30 CEEDHO C=CCC[C@H](C)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343942144 368082606 /nfs/dbraw/zinc/08/26/06/368082606.db2.gz UTHRJKBUJVAXFA-AWEZNQCLSA-N 1 3 277.412 2.466 20 30 CEEDHO CN1CCC[C@H]2C[N@H+](CCCSCC#N)CC[C@H]21 ZINC000248159909 371165654 /nfs/dbraw/zinc/16/56/54/371165654.db2.gz RZCUEAOXLLILQV-UONOGXRCSA-N 1 3 267.442 2.049 20 30 CEEDHO CN1CCC[C@H]2C[N@@H+](CCCSCC#N)CC[C@H]21 ZINC000248159909 371165657 /nfs/dbraw/zinc/16/56/57/371165657.db2.gz RZCUEAOXLLILQV-UONOGXRCSA-N 1 3 267.442 2.049 20 30 CEEDHO C=CCOCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479661 373145374 /nfs/dbraw/zinc/14/53/74/373145374.db2.gz YSLASPCOMPXAEJ-NVXWUHKLSA-N 1 3 288.391 2.035 20 30 CEEDHO C[N@H+]1CC=C(CNC2CC(C#N)(c3ccccc3)C2)CC1 ZINC000368424564 373240283 /nfs/dbraw/zinc/24/02/83/373240283.db2.gz LOVNGUKVISDWNG-UHFFFAOYSA-N 1 3 281.403 2.462 20 30 CEEDHO C[N@@H+]1CC=C(CNC2CC(C#N)(c3ccccc3)C2)CC1 ZINC000368424564 373240291 /nfs/dbraw/zinc/24/02/91/373240291.db2.gz LOVNGUKVISDWNG-UHFFFAOYSA-N 1 3 281.403 2.462 20 30 CEEDHO C=CCOc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000425969914 377390873 /nfs/dbraw/zinc/39/08/73/377390873.db2.gz CESKYDUACCRMGF-IYBDPMFKSA-N 1 3 272.392 2.245 20 30 CEEDHO C=CCOc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000425969914 377390881 /nfs/dbraw/zinc/39/08/81/377390881.db2.gz CESKYDUACCRMGF-IYBDPMFKSA-N 1 3 272.392 2.245 20 30 CEEDHO C=CCN(C)CCN(CC)CCC[NH+]1CCCCC1 ZINC000429709718 377518801 /nfs/dbraw/zinc/51/88/01/377518801.db2.gz AECUAOSZTOVCEO-UHFFFAOYSA-N 1 3 267.461 2.302 20 30 CEEDHO C=CCC[C@H](CO)NC1CC[NH+](C(C)(C)C)CC1 ZINC000449701381 378222229 /nfs/dbraw/zinc/22/22/29/378222229.db2.gz WCNZOJDJJWLGCJ-CQSZACIVSA-N 1 3 254.418 2.166 20 30 CEEDHO C(#CC[NH+]1C[C@@H]2CCC[C@H]2C1)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000472604393 380074358 /nfs/dbraw/zinc/07/43/58/380074358.db2.gz PIFNMSQREDLXFB-XLAORIBOSA-N 1 3 272.436 2.454 20 30 CEEDHO C(#CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)CN1C[C@@H]2CCC[C@H]2C1 ZINC000472604393 380074363 /nfs/dbraw/zinc/07/43/63/380074363.db2.gz PIFNMSQREDLXFB-XLAORIBOSA-N 1 3 272.436 2.454 20 30 CEEDHO C(#CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)CN1C[C@@H]2CCC[C@H]2C1 ZINC000472604393 380074366 /nfs/dbraw/zinc/07/43/66/380074366.db2.gz PIFNMSQREDLXFB-XLAORIBOSA-N 1 3 272.436 2.454 20 30 CEEDHO C=CCCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000359101420 394741009 /nfs/dbraw/zinc/74/10/09/394741009.db2.gz IFHVHDRYSWXNJR-MRXNPFEDSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000359101420 394741010 /nfs/dbraw/zinc/74/10/10/394741010.db2.gz IFHVHDRYSWXNJR-MRXNPFEDSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCOCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338954348 394933957 /nfs/dbraw/zinc/93/39/57/394933957.db2.gz NUEDAZPPZSYJTA-HZPDHXFCSA-N 1 3 296.455 2.010 20 30 CEEDHO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000651709487 401375863 /nfs/dbraw/zinc/37/58/63/401375863.db2.gz YMGUAAAIHBRDMP-BRWVUGGUSA-N 1 3 291.483 2.489 20 30 CEEDHO C[NH+]1CCC(C)(CNCc2cc(C#N)cs2)CC1 ZINC000227328372 153342977 /nfs/dbraw/zinc/34/29/77/153342977.db2.gz PFQPUUOSUNNOOT-UHFFFAOYSA-N 1 3 263.410 2.441 20 30 CEEDHO C=CCOCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665263246 415656423 /nfs/dbraw/zinc/65/64/23/415656423.db2.gz JBESXFFAYOBDMK-LBPRGKRZSA-N 1 3 263.385 2.092 20 30 CEEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288694759 263105404 /nfs/dbraw/zinc/10/54/04/263105404.db2.gz KJRUOFBFFCREGZ-NSHDSACASA-N 1 3 282.338 2.176 20 30 CEEDHO CC[NH+](CC)[C@@H](CNC(=O)C(C)C#N)Cc1ccccc1 ZINC000357841232 266375575 /nfs/dbraw/zinc/37/55/75/266375575.db2.gz VFVQYCPEGMVUGF-GDBMZVCRSA-N 1 3 287.407 2.215 20 30 CEEDHO C=C[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987832 330162911 /nfs/dbraw/zinc/16/29/11/330162911.db2.gz HLLYVCDDOFRMHJ-NOLJZWGESA-N 1 3 258.365 2.406 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422972651 330164657 /nfs/dbraw/zinc/16/46/57/330164657.db2.gz ACOWISKDQGRJCP-HOCLYGCPSA-N 1 3 265.445 2.134 20 30 CEEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423019055 330165770 /nfs/dbraw/zinc/16/57/70/330165770.db2.gz TUYAYQFESMVRDA-YHUYYLMFSA-N 1 3 266.429 2.071 20 30 CEEDHO C=CC[C@H](CO)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423019055 330165772 /nfs/dbraw/zinc/16/57/72/330165772.db2.gz TUYAYQFESMVRDA-YHUYYLMFSA-N 1 3 266.429 2.071 20 30 CEEDHO N#CCCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033954 330166259 /nfs/dbraw/zinc/16/62/59/330166259.db2.gz PGRLFRDWYGGGLT-GDBMZVCRSA-N 1 3 271.364 2.136 20 30 CEEDHO C=CCCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000231799192 333329948 /nfs/dbraw/zinc/32/99/48/333329948.db2.gz PUHGGABHSRXDEO-HRCADAONSA-N 1 3 266.429 2.480 20 30 CEEDHO CCCC[N@H+](C)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000347094188 528336315 /nfs/dbraw/zinc/33/63/15/528336315.db2.gz VVWYCJPKHVJJHL-ZDUSSCGKSA-N 1 3 265.401 2.117 20 30 CEEDHO CCCC[N@@H+](C)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000347094188 528336319 /nfs/dbraw/zinc/33/63/19/528336319.db2.gz VVWYCJPKHVJJHL-ZDUSSCGKSA-N 1 3 265.401 2.117 20 30 CEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001020676090 622824774 /nfs/dbraw/zinc/82/47/74/622824774.db2.gz QZIOWQNCCPIUHA-JYJNAYRXSA-N 1 3 293.455 2.062 20 30 CEEDHO CCCNC(=[NH2+])NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000162459294 628303502 /nfs/dbraw/zinc/30/35/02/628303502.db2.gz RRICRSXBQRMRJV-KRWDZBQOSA-N 1 3 288.439 2.355 20 30 CEEDHO C=C(C)C[C@H](CO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000925770694 628768316 /nfs/dbraw/zinc/76/83/16/628768316.db2.gz KOBYCOTVDNDLME-QLFBSQMISA-N 1 3 254.418 2.214 20 30 CEEDHO CCO[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@H]1C[NH3+] ZINC000903768816 635259421 /nfs/dbraw/zinc/25/94/21/635259421.db2.gz RKOXEAIUGISLIM-HUUCEWRRSA-N 1 3 279.428 2.146 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000911728663 638380218 /nfs/dbraw/zinc/38/02/18/638380218.db2.gz XPYPDXPZHQNPHA-NRXISQOPSA-N 1 3 283.460 2.450 20 30 CEEDHO C#CCCCCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000877608666 650812406 /nfs/dbraw/zinc/81/24/06/650812406.db2.gz YGKDIEUOHPVYDT-UHFFFAOYSA-N 1 3 278.440 2.367 20 30 CEEDHO C[C@@H]1CC[C@H](CN)[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424989 643704265 /nfs/dbraw/zinc/70/42/65/643704265.db2.gz VVBBCPKSSVDXIA-KFZJALRRSA-N 1 3 287.407 2.039 20 30 CEEDHO C[C@@H]1CC[C@H](CN)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424989 643704267 /nfs/dbraw/zinc/70/42/67/643704267.db2.gz VVBBCPKSSVDXIA-KFZJALRRSA-N 1 3 287.407 2.039 20 30 CEEDHO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001266466091 802613722 /nfs/dbraw/zinc/61/37/22/802613722.db2.gz JBJBQQKYTWFEPK-CVEARBPZSA-N 1 3 295.471 2.073 20 30 CEEDHO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001266466091 802613726 /nfs/dbraw/zinc/61/37/26/802613726.db2.gz JBJBQQKYTWFEPK-CVEARBPZSA-N 1 3 295.471 2.073 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001267817388 803752955 /nfs/dbraw/zinc/75/29/55/803752955.db2.gz ZETSJMFKHARKER-HNNXBMFYSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001267964064 803856685 /nfs/dbraw/zinc/85/66/85/803856685.db2.gz ZYBUWABBWFXLKQ-OAGGEKHMSA-N 1 3 295.471 2.262 20 30 CEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027917577 804341191 /nfs/dbraw/zinc/34/11/91/804341191.db2.gz CDGGDGDDQMAPRJ-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027917577 804341200 /nfs/dbraw/zinc/34/12/00/804341200.db2.gz CDGGDGDDQMAPRJ-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027918146 804341678 /nfs/dbraw/zinc/34/16/78/804341678.db2.gz KQUPUYDNVNKYPO-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027918146 804341687 /nfs/dbraw/zinc/34/16/87/804341687.db2.gz KQUPUYDNVNKYPO-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001269980589 805300842 /nfs/dbraw/zinc/30/08/42/805300842.db2.gz HECFQRJVZYDBLC-CVEARBPZSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001122002869 815376122 /nfs/dbraw/zinc/37/61/22/815376122.db2.gz LNKNIBIVZGMAPT-KFWWJZLASA-N 1 3 281.444 2.001 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001122002869 815376128 /nfs/dbraw/zinc/37/61/28/815376128.db2.gz LNKNIBIVZGMAPT-KFWWJZLASA-N 1 3 281.444 2.001 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001122116112 815386226 /nfs/dbraw/zinc/38/62/26/815386226.db2.gz QBKOILRBMGUFNV-JYJNAYRXSA-N 1 3 295.471 2.417 20 30 CEEDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC001169081636 811378543 /nfs/dbraw/zinc/37/85/43/811378543.db2.gz UYMONNIDVRUMBI-MUJYYYPQSA-N 1 3 255.365 2.273 20 30 CEEDHO C=CC[N@@H+]1CC2CC1CC(NC(=O)c1ccc(C)nc1C)C2 ZINC001047207267 811870281 /nfs/dbraw/zinc/87/02/81/811870281.db2.gz MCDIOJYRBKTJAG-ARFHVFGLSA-N 1 3 299.418 2.467 20 30 CEEDHO C=CC[N@H+]1CC2CC1CC(NC(=O)c1ccc(C)nc1C)C2 ZINC001047207267 811870287 /nfs/dbraw/zinc/87/02/87/811870287.db2.gz MCDIOJYRBKTJAG-ARFHVFGLSA-N 1 3 299.418 2.467 20 30 CEEDHO C#CC[N@H+](C)CCCNc1ccnc2ccccc21 ZINC000392783732 813307054 /nfs/dbraw/zinc/30/70/54/813307054.db2.gz GYDUKILWLYFIDL-UHFFFAOYSA-N 1 3 253.349 2.024 20 30 CEEDHO C#CC[N@@H+](C)CCCNc1ccnc2ccccc21 ZINC000392783732 813307060 /nfs/dbraw/zinc/30/70/60/813307060.db2.gz GYDUKILWLYFIDL-UHFFFAOYSA-N 1 3 253.349 2.024 20 30 CEEDHO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691716 813504827 /nfs/dbraw/zinc/50/48/27/813504827.db2.gz YWPYZSOSNOROAJ-HZPDHXFCSA-N 1 3 295.471 2.005 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595222 814298811 /nfs/dbraw/zinc/29/88/11/814298811.db2.gz XQZULDLBSBNQSG-HUUCEWRRSA-N 1 3 283.460 2.166 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCC ZINC001176284782 816377140 /nfs/dbraw/zinc/37/71/40/816377140.db2.gz KFXQMBCINZVKAB-HNNXBMFYSA-N 1 3 283.460 2.169 20 30 CEEDHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000333281204 539322769 /nfs/dbraw/zinc/32/27/69/539322769.db2.gz MLRNCKFXOTVOAL-KBXCAEBGSA-N 1 3 298.434 2.257 20 30 CEEDHO N#Cc1cccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593314279 345465549 /nfs/dbraw/zinc/46/55/49/345465549.db2.gz BOFKHBVYSJWTDX-RCCFBDPRSA-N 1 3 299.418 2.277 20 30 CEEDHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595514 346380613 /nfs/dbraw/zinc/38/06/13/346380613.db2.gz OUYUAISOMOBMRC-LSDHHAIUSA-N 1 3 281.444 2.093 20 30 CEEDHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595514 346380614 /nfs/dbraw/zinc/38/06/14/346380614.db2.gz OUYUAISOMOBMRC-LSDHHAIUSA-N 1 3 281.444 2.093 20 30 CEEDHO CCN1CCC[C@@H]1C[N@H+](CCN(C)C)C[C@H](C)CCC#N ZINC000602657980 347127609 /nfs/dbraw/zinc/12/76/09/347127609.db2.gz VSWGJRPUIOOLQF-IAGOWNOFSA-N 1 3 294.487 2.274 20 30 CEEDHO CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)C[C@H](C)CCC#N ZINC000602657980 347127611 /nfs/dbraw/zinc/12/76/11/347127611.db2.gz VSWGJRPUIOOLQF-IAGOWNOFSA-N 1 3 294.487 2.274 20 30 CEEDHO N#Cc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000130353164 365947509 /nfs/dbraw/zinc/94/75/09/365947509.db2.gz RJKLFICBDQCADD-KRWDZBQOSA-N 1 3 299.418 2.149 20 30 CEEDHO CC(C)(C)NC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179738693 368350808 /nfs/dbraw/zinc/35/08/08/368350808.db2.gz LOYCYBFFKJZQLW-UHFFFAOYSA-N 1 3 289.427 2.001 20 30 CEEDHO C=CCOc1cccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000346690731 368773011 /nfs/dbraw/zinc/77/30/11/368773011.db2.gz UQUBAHPXYQPMSJ-DZGCQCFKSA-N 1 3 260.381 2.421 20 30 CEEDHO C=CCOc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000634999881 369035239 /nfs/dbraw/zinc/03/52/39/369035239.db2.gz BOVWBLRZKKQRPG-DZGCQCFKSA-N 1 3 260.381 2.278 20 30 CEEDHO C=CCC[C@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000351412173 369634895 /nfs/dbraw/zinc/63/48/95/369634895.db2.gz LPOCJMUKIDBRFS-KKUMJFAQSA-N 1 3 254.418 2.118 20 30 CEEDHO C=CCC[C@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000351412173 369634897 /nfs/dbraw/zinc/63/48/97/369634897.db2.gz LPOCJMUKIDBRFS-KKUMJFAQSA-N 1 3 254.418 2.118 20 30 CEEDHO N#Cc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228535532 370404911 /nfs/dbraw/zinc/40/49/11/370404911.db2.gz LUWODUSFCORUMP-ARFHVFGLSA-N 1 3 255.365 2.117 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000264045830 371957989 /nfs/dbraw/zinc/95/79/89/371957989.db2.gz KQOPZOAXKSDOLN-UONOGXRCSA-N 1 3 292.427 2.065 20 30 CEEDHO CCc1cccc(CC)c1NC(=[NH2+])NCCCN(C)C ZINC000264096266 371968941 /nfs/dbraw/zinc/96/89/41/371968941.db2.gz LYHKZMHYCDDHJC-UHFFFAOYSA-N 1 3 276.428 2.490 20 30 CEEDHO C[NH+](C)CCOC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000353566170 220163100 /nfs/dbraw/zinc/16/31/00/220163100.db2.gz DMUPMXCYGVWJMI-UHFFFAOYSA-N 1 3 287.407 2.101 20 30 CEEDHO N#Cc1ccc(OCCN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422987250 376907363 /nfs/dbraw/zinc/90/73/63/376907363.db2.gz FTTAMDFWLHYKOF-ZBFHGGJFSA-N 1 3 273.380 2.044 20 30 CEEDHO N#Cc1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422987250 376907369 /nfs/dbraw/zinc/90/73/69/376907369.db2.gz FTTAMDFWLHYKOF-ZBFHGGJFSA-N 1 3 273.380 2.044 20 30 CEEDHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423099618 376993647 /nfs/dbraw/zinc/99/36/47/376993647.db2.gz LZWKQWRAXKHUCL-BBRMVZONSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1cccc(C#N)c1 ZINC000423099618 376993654 /nfs/dbraw/zinc/99/36/54/376993654.db2.gz LZWKQWRAXKHUCL-BBRMVZONSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423243075 377162650 /nfs/dbraw/zinc/16/26/50/377162650.db2.gz GDIWBXDEBYCULR-RYUDHWBXSA-N 1 3 261.344 2.348 20 30 CEEDHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442784134 377993659 /nfs/dbraw/zinc/99/36/59/377993659.db2.gz RKEQDAWLGDBQHR-GDBMZVCRSA-N 1 3 287.407 2.409 20 30 CEEDHO C(#CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)CN1C[C@H]2CCC[C@@H]2C1 ZINC000472604385 380074414 /nfs/dbraw/zinc/07/44/14/380074414.db2.gz PIFNMSQREDLXFB-TVFCKZIOSA-N 1 3 272.436 2.454 20 30 CEEDHO C(#CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)CN1C[C@H]2CCC[C@@H]2C1 ZINC000472604385 380074415 /nfs/dbraw/zinc/07/44/15/380074415.db2.gz PIFNMSQREDLXFB-TVFCKZIOSA-N 1 3 272.436 2.454 20 30 CEEDHO C(#CC[NH+]1C[C@H]2CCC[C@@H]2C1)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000472604385 380074419 /nfs/dbraw/zinc/07/44/19/380074419.db2.gz PIFNMSQREDLXFB-TVFCKZIOSA-N 1 3 272.436 2.454 20 30 CEEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000555949326 380859437 /nfs/dbraw/zinc/85/94/37/380859437.db2.gz PVBVRBPSYNXDAG-OLMNPRSZSA-N 1 3 299.418 2.035 20 30 CEEDHO N#C[C@@H]1CC[C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000555949326 380859450 /nfs/dbraw/zinc/85/94/50/380859450.db2.gz PVBVRBPSYNXDAG-OLMNPRSZSA-N 1 3 299.418 2.035 20 30 CEEDHO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000555949326 380859466 /nfs/dbraw/zinc/85/94/66/380859466.db2.gz PVBVRBPSYNXDAG-OLMNPRSZSA-N 1 3 299.418 2.035 20 30 CEEDHO C=C(C)C[NH+]1CCC(NCc2c[nH]c3nccnc23)CC1 ZINC000329567006 394573291 /nfs/dbraw/zinc/57/32/91/394573291.db2.gz KZIQZIBIHPBCTF-UHFFFAOYSA-N 1 3 285.395 2.040 20 30 CEEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000345656747 395071403 /nfs/dbraw/zinc/07/14/03/395071403.db2.gz GQQRHIOXLLHGFB-CYBMUJFWSA-N 1 3 271.364 2.058 20 30 CEEDHO C=CCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346840163 395109398 /nfs/dbraw/zinc/10/93/98/395109398.db2.gz ZSWXORRRHAXNKF-XIRDDKMYSA-N 1 3 272.392 2.421 20 30 CEEDHO N#Cc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248623 395455925 /nfs/dbraw/zinc/45/59/25/395455925.db2.gz NKZVEXXQUHGAPY-SFHVURJKSA-N 1 3 299.418 2.149 20 30 CEEDHO C[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)CN(C)C ZINC000291919307 263126615 /nfs/dbraw/zinc/12/66/15/263126615.db2.gz NDORPAQFYWRJDM-ZDUSSCGKSA-N 1 3 288.439 2.490 20 30 CEEDHO C[C@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+](C)C ZINC000341326930 263331152 /nfs/dbraw/zinc/33/11/52/263331152.db2.gz ZALFVVPYDMLNFQ-GDBMZVCRSA-N 1 3 287.407 2.073 20 30 CEEDHO C=CC[C@@H](C)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000878321441 651066516 /nfs/dbraw/zinc/06/65/16/651066516.db2.gz DVZOXHFCVGZPLL-MRXNPFEDSA-N 1 3 279.472 2.441 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357790046 266362620 /nfs/dbraw/zinc/36/26/20/266362620.db2.gz KMNJFJVQVOZZOD-FRRDWIJNSA-N 1 3 265.401 2.019 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357790046 266362624 /nfs/dbraw/zinc/36/26/24/266362624.db2.gz KMNJFJVQVOZZOD-FRRDWIJNSA-N 1 3 265.401 2.019 20 30 CEEDHO CN1CCC(N2CC[C@@H]([NH2+]CC(C)(C)CCC#N)C2)CC1 ZINC000369670784 267258537 /nfs/dbraw/zinc/25/85/37/267258537.db2.gz BAWQCTXNYBHOGR-OAHLLOKOSA-N 1 3 292.471 2.074 20 30 CEEDHO CCCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000304800886 267835456 /nfs/dbraw/zinc/83/54/56/267835456.db2.gz OVGVRXUXJKSCKB-JSGCOSHPSA-N 1 3 294.468 2.445 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262678253 330026266 /nfs/dbraw/zinc/02/62/66/330026266.db2.gz RYRUOUYOLKICTK-GXTWGEPZSA-N 1 3 292.452 2.221 20 30 CEEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCC[C@H]1N)C(C)C ZINC000422827690 330156599 /nfs/dbraw/zinc/15/65/99/330156599.db2.gz FAWXOZPRSLGXSB-OWCLPIDISA-N 1 3 265.445 2.154 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422827690 330156601 /nfs/dbraw/zinc/15/66/01/330156601.db2.gz FAWXOZPRSLGXSB-OWCLPIDISA-N 1 3 265.445 2.154 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423095693 330169858 /nfs/dbraw/zinc/16/98/58/330169858.db2.gz MZVZKZRFTBQEEB-AJNGGQMLSA-N 1 3 252.402 2.088 20 30 CEEDHO N#CCC[C@@H](C#N)CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000552788151 334345018 /nfs/dbraw/zinc/34/50/18/334345018.db2.gz OUIKXJBYIIZBSD-INIZCTEOSA-N 1 3 297.406 2.331 20 30 CEEDHO N#CCc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000581071429 336004249 /nfs/dbraw/zinc/00/42/49/336004249.db2.gz MTUBTBAVEQPYGP-UHFFFAOYSA-N 1 3 269.392 2.469 20 30 CEEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000985640253 631164196 /nfs/dbraw/zinc/16/41/96/631164196.db2.gz XAEBQSBUIGENHT-MRXNPFEDSA-N 1 3 295.471 2.072 20 30 CEEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000985640253 631164197 /nfs/dbraw/zinc/16/41/97/631164197.db2.gz XAEBQSBUIGENHT-MRXNPFEDSA-N 1 3 295.471 2.072 20 30 CEEDHO CN(C)C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000113512270 644416018 /nfs/dbraw/zinc/41/60/18/644416018.db2.gz ISPHJWGIUKXQJN-INIZCTEOSA-N 1 3 287.407 2.211 20 30 CEEDHO CN(C)C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000113512270 644416025 /nfs/dbraw/zinc/41/60/25/644416025.db2.gz ISPHJWGIUKXQJN-INIZCTEOSA-N 1 3 287.407 2.211 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001088383844 806179054 /nfs/dbraw/zinc/17/90/54/806179054.db2.gz NUFPVCCHTIJBDW-HOTGVXAUSA-N 1 3 295.471 2.264 20 30 CEEDHO N=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cn1 ZINC001168358337 806693605 /nfs/dbraw/zinc/69/36/05/806693605.db2.gz SHWHRWUYVMIHJS-UHFFFAOYSA-N 1 3 292.814 2.315 20 30 CEEDHO C#CC[N@@H+](C)CCCNCc1ccc(Cl)c(OC)c1 ZINC000703719260 809679749 /nfs/dbraw/zinc/67/97/49/809679749.db2.gz AXILRKORKJMCEZ-UHFFFAOYSA-N 1 3 280.799 2.393 20 30 CEEDHO C#CC[N@H+](C)CCCNCc1ccc(Cl)c(OC)c1 ZINC000703719260 809679752 /nfs/dbraw/zinc/67/97/52/809679752.db2.gz AXILRKORKJMCEZ-UHFFFAOYSA-N 1 3 280.799 2.393 20 30 CEEDHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001267758908 803714347 /nfs/dbraw/zinc/71/43/47/803714347.db2.gz SILACGKKBMLGMU-INIZCTEOSA-N 1 3 295.471 2.073 20 30 CEEDHO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001267758908 803714350 /nfs/dbraw/zinc/71/43/50/803714350.db2.gz SILACGKKBMLGMU-INIZCTEOSA-N 1 3 295.471 2.073 20 30 CEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001269980591 805300749 /nfs/dbraw/zinc/30/07/49/805300749.db2.gz HECFQRJVZYDBLC-HZPDHXFCSA-N 1 3 295.471 2.264 20 30 CEEDHO C#Cc1cccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC001231660563 807183169 /nfs/dbraw/zinc/18/31/69/807183169.db2.gz IETHYHFHXNUNBC-KRWDZBQOSA-N 1 3 254.377 2.196 20 30 CEEDHO C#Cc1cccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC001231660563 807183172 /nfs/dbraw/zinc/18/31/72/807183172.db2.gz IETHYHFHXNUNBC-KRWDZBQOSA-N 1 3 254.377 2.196 20 30 CEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001034797409 809696394 /nfs/dbraw/zinc/69/63/94/809696394.db2.gz ZUAKAXOSOXPXLU-KLHDSHLOSA-N 1 3 293.455 2.062 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001085196803 809759125 /nfs/dbraw/zinc/75/91/25/809759125.db2.gz ONMHHUQVBQGUAT-OAGGEKHMSA-N 1 3 293.455 2.062 20 30 CEEDHO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046314580 811733505 /nfs/dbraw/zinc/73/35/05/811733505.db2.gz DKNZPFBTFTXVMM-DOTOQJQBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046314580 811733509 /nfs/dbraw/zinc/73/35/09/811733509.db2.gz DKNZPFBTFTXVMM-DOTOQJQBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467785 813442050 /nfs/dbraw/zinc/44/20/50/813442050.db2.gz JTPRFTAXFBGNOY-GJZGRUSLSA-N 1 3 295.471 2.167 20 30 CEEDHO CC(C)[C@@H](C#N)c1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170901289 813622355 /nfs/dbraw/zinc/62/23/55/813622355.db2.gz YMAFTLOAOLXVBY-HUUCEWRRSA-N 1 3 260.385 2.385 20 30 CEEDHO CCc1cc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)ccc1C#N ZINC001206212583 815797213 /nfs/dbraw/zinc/79/72/13/815797213.db2.gz SAMVCQJENNUDQM-HZPDHXFCSA-N 1 3 275.371 2.382 20 30 CEEDHO CCc1cc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)ccc1C#N ZINC001206212583 815797216 /nfs/dbraw/zinc/79/72/16/815797216.db2.gz SAMVCQJENNUDQM-HZPDHXFCSA-N 1 3 275.371 2.382 20 30 CEEDHO C=CCN(C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258831 815997363 /nfs/dbraw/zinc/99/73/63/815997363.db2.gz XQQBXBSUSZPAAZ-UHFFFAOYSA-N 1 3 264.369 2.080 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176283925 816377232 /nfs/dbraw/zinc/37/72/32/816377232.db2.gz AXXMCIVMSXVLFD-OAHLLOKOSA-N 1 3 283.460 2.169 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176760359 816473384 /nfs/dbraw/zinc/47/33/84/816473384.db2.gz WATDGYGMPWQFMC-HNNXBMFYSA-N 1 3 283.460 2.167 20 30 CEEDHO C=C(C)C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176889747 816489888 /nfs/dbraw/zinc/48/98/88/816489888.db2.gz BDZDNCCYGIXXKC-UHFFFAOYSA-N 1 3 289.423 2.034 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698330 816785631 /nfs/dbraw/zinc/78/56/31/816785631.db2.gz DDERQWKYMZTZKV-INIZCTEOSA-N 1 3 295.471 2.169 20 30 CEEDHO C[NH+](C)CC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000042393600 362091548 /nfs/dbraw/zinc/09/15/48/362091548.db2.gz VATMYKXPWVJVAJ-UHFFFAOYSA-N 1 3 287.407 2.211 20 30 CEEDHO C[C@H](CCC#N)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000602531375 347068523 /nfs/dbraw/zinc/06/85/23/347068523.db2.gz HQTHYDPPRWKNBU-OAHLLOKOSA-N 1 3 292.471 2.074 20 30 CEEDHO CC(C)[C@@H]([NH3+])CCN(C)CCc1ccc(C#N)cc1 ZINC000595890293 345907790 /nfs/dbraw/zinc/90/77/90/345907790.db2.gz FRGWZVJMJPQKAZ-INIZCTEOSA-N 1 3 259.397 2.406 20 30 CEEDHO C[C@@H]1C[C@@H](C)N(CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595891116 345908058 /nfs/dbraw/zinc/90/80/58/345908058.db2.gz ALTMNOVBUFPBQG-CPUCHLNUSA-N 1 3 271.408 2.406 20 30 CEEDHO C[C@@H]1C[C@@H](C)[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1CN ZINC000595891116 345908060 /nfs/dbraw/zinc/90/80/60/345908060.db2.gz ALTMNOVBUFPBQG-CPUCHLNUSA-N 1 3 271.408 2.406 20 30 CEEDHO C[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1CN ZINC000595891116 345908063 /nfs/dbraw/zinc/90/80/63/345908063.db2.gz ALTMNOVBUFPBQG-CPUCHLNUSA-N 1 3 271.408 2.406 20 30 CEEDHO CCC[NH+]1CCC(N(C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598591975 346379227 /nfs/dbraw/zinc/37/92/27/346379227.db2.gz CXXWBWGHNWQRAV-HNNXBMFYSA-N 1 3 281.444 2.093 20 30 CEEDHO CC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(C#N)cc1 ZINC000600712396 346676181 /nfs/dbraw/zinc/67/61/81/346676181.db2.gz XLJWJEYNBQAJJX-OAHLLOKOSA-N 1 3 273.380 2.107 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000602724033 347171677 /nfs/dbraw/zinc/17/16/77/347171677.db2.gz PMHLKAXHOOGKQQ-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000602724033 347171682 /nfs/dbraw/zinc/17/16/82/347171682.db2.gz PMHLKAXHOOGKQQ-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000602724033 347171684 /nfs/dbraw/zinc/17/16/84/347171684.db2.gz PMHLKAXHOOGKQQ-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO C=CC[C@H](Cc1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629579836 351420349 /nfs/dbraw/zinc/42/03/49/351420349.db2.gz KBWAXYKREOHFEQ-MSOLQXFVSA-N 1 3 288.435 2.220 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(CC)C[C@H]2C)CC1 ZINC000152974673 366723196 /nfs/dbraw/zinc/72/31/96/366723196.db2.gz DYZCVTCSYVRBNC-WBVHZDCISA-N 1 3 279.472 2.347 20 30 CEEDHO CCC#C[C@@H](C)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000680431958 541412334 /nfs/dbraw/zinc/41/23/34/541412334.db2.gz ZBUVJIDNFAISKI-QGZVFWFLSA-N 1 3 291.483 2.138 20 30 CEEDHO N#C[C@@H]1CC[C@H](N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336121164 365438454 /nfs/dbraw/zinc/43/84/54/365438454.db2.gz UAMLDEZHCXQLRL-CVEARBPZSA-N 1 3 261.413 2.486 20 30 CEEDHO C=CCOc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000346694234 368777139 /nfs/dbraw/zinc/77/71/39/368777139.db2.gz SUHIXZLLOSSJHB-UKRRQHHQSA-N 1 3 260.381 2.421 20 30 CEEDHO CC(C#N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000349571839 369347296 /nfs/dbraw/zinc/34/72/96/369347296.db2.gz XOXWKGPXPLHEOX-ZIAGYGMSSA-N 1 3 273.380 2.173 20 30 CEEDHO CC(C#N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349571839 369347302 /nfs/dbraw/zinc/34/73/02/369347302.db2.gz XOXWKGPXPLHEOX-ZIAGYGMSSA-N 1 3 273.380 2.173 20 30 CEEDHO CCCCNC(=[NH2+])NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195291806 370122839 /nfs/dbraw/zinc/12/28/39/370122839.db2.gz VGAKXHSRGCIWLV-INIZCTEOSA-N 1 3 288.439 2.213 20 30 CEEDHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1C#N ZINC000353640469 220211921 /nfs/dbraw/zinc/21/19/21/220211921.db2.gz GXACKNSGXZSOCD-WOSRLPQWSA-N 1 3 287.407 2.385 20 30 CEEDHO N#Cc1cccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423099307 376993824 /nfs/dbraw/zinc/99/38/24/376993824.db2.gz LXZNQAIHIHKSBS-HOTGVXAUSA-N 1 3 257.381 2.350 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCCNC3)CC2)cc1 ZINC000423218460 377133714 /nfs/dbraw/zinc/13/37/14/377133714.db2.gz VOMDMXFQXGDZOD-INIZCTEOSA-N 1 3 298.434 2.116 20 30 CEEDHO C=CCCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000231799180 394480290 /nfs/dbraw/zinc/48/02/90/394480290.db2.gz GVLISLBGNIXUCU-ZNMIVQPWSA-N 1 3 252.402 2.089 20 30 CEEDHO CN(CCCNC(=[NH2+])NC1CCCC1)Cc1ccccc1 ZINC000050285680 394555101 /nfs/dbraw/zinc/55/51/01/394555101.db2.gz ATEXYVZHGKFAQU-UHFFFAOYSA-N 1 3 288.439 2.355 20 30 CEEDHO CC(C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000334468255 394688799 /nfs/dbraw/zinc/68/87/99/394688799.db2.gz FVURQDWNONWEFN-MAUKXSAKSA-N 1 3 297.402 2.271 20 30 CEEDHO CC(C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000334468255 394688803 /nfs/dbraw/zinc/68/88/03/394688803.db2.gz FVURQDWNONWEFN-MAUKXSAKSA-N 1 3 297.402 2.271 20 30 CEEDHO CNC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000107035286 394726512 /nfs/dbraw/zinc/72/65/12/394726512.db2.gz PYYIJJVRYRPHSP-UHFFFAOYSA-N 1 3 294.830 2.086 20 30 CEEDHO C=CCOCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000339043410 394938402 /nfs/dbraw/zinc/93/84/02/394938402.db2.gz GEQOUSLEKIMBGE-GDBMZVCRSA-N 1 3 264.413 2.138 20 30 CEEDHO C=CCOCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000339043410 394938407 /nfs/dbraw/zinc/93/84/07/394938407.db2.gz GEQOUSLEKIMBGE-GDBMZVCRSA-N 1 3 264.413 2.138 20 30 CEEDHO CC#CCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155367978 395027364 /nfs/dbraw/zinc/02/73/64/395027364.db2.gz UKIHYUKLPCBXAP-IYBDPMFKSA-N 1 3 278.440 2.221 20 30 CEEDHO N#Cc1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000572951394 395595337 /nfs/dbraw/zinc/59/53/37/395595337.db2.gz MIIAQSAHUJOOCG-KURKYZTESA-N 1 3 299.418 2.447 20 30 CEEDHO C=CCCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000649382149 396135684 /nfs/dbraw/zinc/13/56/84/396135684.db2.gz OFULKDWUIOYQQK-MRXNPFEDSA-N 1 3 265.445 2.055 20 30 CEEDHO C=CCCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000649382149 396135688 /nfs/dbraw/zinc/13/56/88/396135688.db2.gz OFULKDWUIOYQQK-MRXNPFEDSA-N 1 3 265.445 2.055 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccc(C#N)cc1)C2 ZINC000285416738 196278251 /nfs/dbraw/zinc/27/82/51/196278251.db2.gz GIOZDXBEHTZNEC-SJPCQFCGSA-N 1 3 299.418 2.494 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccc(C#N)cc1)C2 ZINC000285416738 196278252 /nfs/dbraw/zinc/27/82/52/196278252.db2.gz GIOZDXBEHTZNEC-SJPCQFCGSA-N 1 3 299.418 2.494 20 30 CEEDHO C=CC[C@]1(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662680425 415929471 /nfs/dbraw/zinc/92/94/71/415929471.db2.gz VAEAWRNLIZNABS-ZMSDIMECSA-N 1 3 293.455 2.064 20 30 CEEDHO C[NH+]=C(NCc1cccs1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158456485 261165454 /nfs/dbraw/zinc/16/54/54/261165454.db2.gz CSAMTBNRYZHZLH-JSGCOSHPSA-N 1 3 294.468 2.142 20 30 CEEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350954208 277771853 /nfs/dbraw/zinc/77/18/53/277771853.db2.gz YIQRJESXKSYXOC-HNNXBMFYSA-N 1 3 295.471 2.073 20 30 CEEDHO N#Cc1ccc(N2CCC(NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000584226039 327068393 /nfs/dbraw/zinc/06/83/93/327068393.db2.gz BSFJCMCFYMZFFS-MRXNPFEDSA-N 1 3 298.434 2.259 20 30 CEEDHO C=CCC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000378255288 329044214 /nfs/dbraw/zinc/04/42/14/329044214.db2.gz WCLJDMQPZIZRFT-FUHWJXTLSA-N 1 3 291.483 2.489 20 30 CEEDHO C=CCC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000378255287 329044246 /nfs/dbraw/zinc/04/42/46/329044246.db2.gz WCLJDMQPZIZRFT-AEFFLSMTSA-N 1 3 291.483 2.489 20 30 CEEDHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185777346 329331504 /nfs/dbraw/zinc/33/15/04/329331504.db2.gz FPCIZMCQNYFEIM-IAGOWNOFSA-N 1 3 292.471 2.076 20 30 CEEDHO C#CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000491711259 332302628 /nfs/dbraw/zinc/30/26/28/332302628.db2.gz WBIQNJFSGZFVTJ-AWEZNQCLSA-N 1 3 262.422 2.443 20 30 CEEDHO C#CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000491711259 332302630 /nfs/dbraw/zinc/30/26/30/332302630.db2.gz WBIQNJFSGZFVTJ-AWEZNQCLSA-N 1 3 262.422 2.443 20 30 CEEDHO C=CCc1cc(CN[C@H](C)C[C@H](C)[NH3+])cc(OC)c1O ZINC000577751895 335397452 /nfs/dbraw/zinc/39/74/52/335397452.db2.gz WGRJPAWQRJHTEV-NWDGAFQWSA-N 1 3 278.396 2.345 20 30 CEEDHO CCN1CCN(c2ccccc2C[NH2+]CCCC#N)CC1 ZINC000344341340 527710893 /nfs/dbraw/zinc/71/08/93/527710893.db2.gz BWEYFBMGIHGTAV-UHFFFAOYSA-N 1 3 286.423 2.222 20 30 CEEDHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000925710656 628559621 /nfs/dbraw/zinc/55/96/21/628559621.db2.gz BQAPKQYHHVLUKD-IKGGRYGDSA-N 1 3 283.419 2.467 20 30 CEEDHO CC1(C)[C@@H](NCCc2ccc(C#N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710656 628559625 /nfs/dbraw/zinc/55/96/25/628559625.db2.gz BQAPKQYHHVLUKD-IKGGRYGDSA-N 1 3 283.419 2.467 20 30 CEEDHO C#CC[N@@H+](C)CCCNCc1cc(C)ccc1NC ZINC000902576637 634732550 /nfs/dbraw/zinc/73/25/50/634732550.db2.gz WBXGVTYDBNHTAJ-UHFFFAOYSA-N 1 3 259.397 2.081 20 30 CEEDHO C#CC[N@H+](C)CCCNCc1cc(C)ccc1NC ZINC000902576637 634732552 /nfs/dbraw/zinc/73/25/52/634732552.db2.gz WBXGVTYDBNHTAJ-UHFFFAOYSA-N 1 3 259.397 2.081 20 30 CEEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819134762 634078913 /nfs/dbraw/zinc/07/89/13/634078913.db2.gz MTWXSEKSSHLJOC-BRWVUGGUSA-N 1 3 287.407 2.054 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000876708424 650407909 /nfs/dbraw/zinc/40/79/09/650407909.db2.gz PUKJBZLMWBWDMV-QWHCGFSZSA-N 1 3 289.851 2.083 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000911672222 638344996 /nfs/dbraw/zinc/34/49/96/638344996.db2.gz ISUBBGNUUYKMGI-OAHLLOKOSA-N 1 3 283.460 2.180 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NC[C@H](C)N1CCCC[C@H]1C ZINC000848987037 642209101 /nfs/dbraw/zinc/20/91/01/642209101.db2.gz GXZQROIOQQGWFK-KGLIPLIRSA-N 1 3 292.427 2.208 20 30 CEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1csc(C#N)c1 ZINC000921828179 642702375 /nfs/dbraw/zinc/70/23/75/642702375.db2.gz SQQLIBRCJFCGME-ZDUSSCGKSA-N 1 3 281.425 2.066 20 30 CEEDHO C=C(C)CC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001271902970 806135694 /nfs/dbraw/zinc/13/56/94/806135694.db2.gz TZIWEOQJGFGHHE-HZPDHXFCSA-N 1 3 295.471 2.025 20 30 CEEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266593861 802752950 /nfs/dbraw/zinc/75/29/50/802752950.db2.gz ZCXIACCUBRGKEQ-SHTZXODSSA-N 1 3 293.455 2.064 20 30 CEEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167627241 803217280 /nfs/dbraw/zinc/21/72/80/803217280.db2.gz MUUGMXLSKJBJMZ-MRXNPFEDSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001267281522 803327541 /nfs/dbraw/zinc/32/75/41/803327541.db2.gz NAGMHWXYMMYSOU-HOTGVXAUSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001267281522 803327549 /nfs/dbraw/zinc/32/75/49/803327549.db2.gz NAGMHWXYMMYSOU-HOTGVXAUSA-N 1 3 295.471 2.119 20 30 CEEDHO C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001269402147 805153932 /nfs/dbraw/zinc/15/39/32/805153932.db2.gz JDHPGBROOIVHBO-CVEARBPZSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322850 807727246 /nfs/dbraw/zinc/72/72/46/807727246.db2.gz YPAMMEGBOZIGJR-OAHLLOKOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171508754 815189898 /nfs/dbraw/zinc/18/98/98/815189898.db2.gz HWWHLDIADQYCIJ-LSDHHAIUSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230374390 810539501 /nfs/dbraw/zinc/53/95/01/810539501.db2.gz VHYWCKRYGQERGG-OAHLLOKOSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2nncc2CN)cc1 ZINC001169311153 811484347 /nfs/dbraw/zinc/48/43/47/811484347.db2.gz DFWHFGGSRYPNBX-MRXNPFEDSA-N 1 3 283.379 2.049 20 30 CEEDHO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2nncc2CN)cc1 ZINC001169311153 811484352 /nfs/dbraw/zinc/48/43/52/811484352.db2.gz DFWHFGGSRYPNBX-MRXNPFEDSA-N 1 3 283.379 2.049 20 30 CEEDHO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046314582 811733734 /nfs/dbraw/zinc/73/37/34/811733734.db2.gz DKNZPFBTFTXVMM-RDJZCZTQSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046314582 811733737 /nfs/dbraw/zinc/73/37/37/811733737.db2.gz DKNZPFBTFTXVMM-RDJZCZTQSA-N 1 3 293.455 2.016 20 30 CEEDHO CC[NH+](CC)CC[C@@H](C)N1CCC2SC(=O)C=C2C1 ZINC001255960229 814062325 /nfs/dbraw/zinc/06/23/25/814062325.db2.gz RPQBYXQXHFIWRO-TZMCWYRMSA-N 1 3 282.453 2.381 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595220 814298640 /nfs/dbraw/zinc/29/86/40/814298640.db2.gz XQZULDLBSBNQSG-CABCVRRESA-N 1 3 283.460 2.166 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256772 816163022 /nfs/dbraw/zinc/16/30/22/816163022.db2.gz OJDPQCVBWDWPQC-HOTGVXAUSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CC[NH2+]CCCCCCNC(=O)C(C)(C)N(C)CC ZINC001178853961 816804419 /nfs/dbraw/zinc/80/44/19/816804419.db2.gz QVYJBCNEOSDUJV-UHFFFAOYSA-N 1 3 283.460 2.169 20 30 CEEDHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000333221428 136385359 /nfs/dbraw/zinc/38/53/59/136385359.db2.gz ACARPIAGMMJVJF-KDOFPFPSSA-N 1 3 298.434 2.115 20 30 CEEDHO N#Cc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252847247 344641895 /nfs/dbraw/zinc/64/18/95/344641895.db2.gz FXYZIXCOGHJHRE-HRCADAONSA-N 1 3 255.365 2.117 20 30 CEEDHO CC[NH+](CC)CCCN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602588944 347090750 /nfs/dbraw/zinc/09/07/50/347090750.db2.gz VWBMVOKPNCPBMH-HNNXBMFYSA-N 1 3 281.444 2.407 20 30 CEEDHO CCN(CC)CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602588944 347090753 /nfs/dbraw/zinc/09/07/53/347090753.db2.gz VWBMVOKPNCPBMH-HNNXBMFYSA-N 1 3 281.444 2.407 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000600769028 346686237 /nfs/dbraw/zinc/68/62/37/346686237.db2.gz JMMNAMWDOGOAMV-CQSZACIVSA-N 1 3 273.380 2.363 20 30 CEEDHO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000602889837 347240303 /nfs/dbraw/zinc/24/03/03/347240303.db2.gz DYQCONBQWKSSCG-WMLDXEAASA-N 1 3 287.407 2.008 20 30 CEEDHO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000602889837 347240306 /nfs/dbraw/zinc/24/03/06/347240306.db2.gz DYQCONBQWKSSCG-WMLDXEAASA-N 1 3 287.407 2.008 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NC[C@H]1CCCN1CC(C)C ZINC000130558399 365967273 /nfs/dbraw/zinc/96/72/73/365967273.db2.gz WYFJBTAPJGRVHT-CQSZACIVSA-N 1 3 292.427 2.065 20 30 CEEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332378140 283058638 /nfs/dbraw/zinc/05/86/38/283058638.db2.gz FMQPJGBNFQHOCR-IWCQGFGOSA-N 1 3 291.439 2.036 20 30 CEEDHO C=C(C)[C@H](CO)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000680401192 541408491 /nfs/dbraw/zinc/40/84/91/541408491.db2.gz IHDBEYHRQBBLCP-YCPHGPKFSA-N 1 3 266.429 2.166 20 30 CEEDHO C=CCOc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000346678717 368766057 /nfs/dbraw/zinc/76/60/57/368766057.db2.gz LSVHLNBSFYSPQJ-ZFWWWQNUSA-N 1 3 260.381 2.421 20 30 CEEDHO CC(C#N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347753464 368818733 /nfs/dbraw/zinc/81/87/33/368818733.db2.gz LIQIVUDSLNWWTB-HOCLYGCPSA-N 1 3 285.391 2.127 20 30 CEEDHO CC(C#N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347753464 368818740 /nfs/dbraw/zinc/81/87/40/368818740.db2.gz LIQIVUDSLNWWTB-HOCLYGCPSA-N 1 3 285.391 2.127 20 30 CEEDHO C=C(CC)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716749 368837398 /nfs/dbraw/zinc/83/73/98/368837398.db2.gz ZBRTXOFZENEGAR-KRWDZBQOSA-N 1 3 274.408 2.179 20 30 CEEDHO C=C(CC)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716749 368837402 /nfs/dbraw/zinc/83/74/02/368837402.db2.gz ZBRTXOFZENEGAR-KRWDZBQOSA-N 1 3 274.408 2.179 20 30 CEEDHO C[NH+](C)CCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349822468 369411715 /nfs/dbraw/zinc/41/17/15/369411715.db2.gz POSVSNZOZXPWFA-CVEARBPZSA-N 1 3 287.407 2.409 20 30 CEEDHO C=C(C)CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000352050921 369662489 /nfs/dbraw/zinc/66/24/89/369662489.db2.gz WOIMPYBQJJJRBX-INIZCTEOSA-N 1 3 265.445 2.055 20 30 CEEDHO C=C(C)CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000352050921 369662492 /nfs/dbraw/zinc/66/24/92/369662492.db2.gz WOIMPYBQJJJRBX-INIZCTEOSA-N 1 3 265.445 2.055 20 30 CEEDHO CN1C[C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)C[C@@H]2C1 ZINC000193653326 369968133 /nfs/dbraw/zinc/96/81/33/369968133.db2.gz IUJCKMLMLDTWEM-IYBDPMFKSA-N 1 3 283.419 2.481 20 30 CEEDHO CN1C[C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)C[C@@H]2C1 ZINC000193653326 369968136 /nfs/dbraw/zinc/96/81/36/369968136.db2.gz IUJCKMLMLDTWEM-IYBDPMFKSA-N 1 3 283.419 2.481 20 30 CEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C#N)cc1F ZINC000269439105 372449222 /nfs/dbraw/zinc/44/92/22/372449222.db2.gz RXGLDSDAPYRSCR-HNNXBMFYSA-N 1 3 293.386 2.144 20 30 CEEDHO C[C@H](CC[NH+](C)C)NC(=O)C(C#N)CCc1ccccc1 ZINC000435927387 377812215 /nfs/dbraw/zinc/81/22/15/377812215.db2.gz MLBSKLVXHVKZFM-ZBFHGGJFSA-N 1 3 287.407 2.215 20 30 CEEDHO C[C@@H](CC[NH+](C)C)NC(=O)C(C#N)CCc1ccccc1 ZINC000435927385 377813027 /nfs/dbraw/zinc/81/30/27/377813027.db2.gz MLBSKLVXHVKZFM-GOEBONIOSA-N 1 3 287.407 2.215 20 30 CEEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000305071069 379620951 /nfs/dbraw/zinc/62/09/51/379620951.db2.gz JIZTUTPSRVQBLL-CVEARBPZSA-N 1 3 266.429 2.121 20 30 CEEDHO C=CCC[C@H](O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000305071069 379620954 /nfs/dbraw/zinc/62/09/54/379620954.db2.gz JIZTUTPSRVQBLL-CVEARBPZSA-N 1 3 266.429 2.121 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000334675055 533109654 /nfs/dbraw/zinc/10/96/54/533109654.db2.gz MVABLRVGBBFMPR-GJZGRUSLSA-N 1 3 277.412 2.261 20 30 CEEDHO CCCNC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000303885241 394480634 /nfs/dbraw/zinc/48/06/34/394480634.db2.gz NCJTVCHFCDBEBX-UHFFFAOYSA-N 1 3 294.468 2.274 20 30 CEEDHO [NH2+]=C(NC[C@@H]1CCCN(Cc2cccs2)C1)NC1CC1 ZINC000261904916 394609313 /nfs/dbraw/zinc/60/93/13/394609313.db2.gz WUFGKDUWTLKJSQ-LBPRGKRZSA-N 1 3 292.452 2.027 20 30 CEEDHO CN1CC=C(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000263173139 394627323 /nfs/dbraw/zinc/62/73/23/394627323.db2.gz SCGOBNNEVMCLKY-UHFFFAOYSA-N 1 3 284.407 2.164 20 30 CEEDHO CC(C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000334468254 394687355 /nfs/dbraw/zinc/68/73/55/394687355.db2.gz FVURQDWNONWEFN-CRAIPNDOSA-N 1 3 297.402 2.271 20 30 CEEDHO CC(C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000334468254 394687358 /nfs/dbraw/zinc/68/73/58/394687358.db2.gz FVURQDWNONWEFN-CRAIPNDOSA-N 1 3 297.402 2.271 20 30 CEEDHO N#Cc1ccc(OCCNC2CC[NH+](C3CC3)CC2)cc1 ZINC000459408814 395666100 /nfs/dbraw/zinc/66/61/00/395666100.db2.gz ASPHIJWTEQZHOG-UHFFFAOYSA-N 1 3 285.391 2.153 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000285610766 196342987 /nfs/dbraw/zinc/34/29/87/196342987.db2.gz VVIDLOPIVFRTCJ-UJJTZGENSA-N 1 3 299.418 2.149 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000285610766 196342988 /nfs/dbraw/zinc/34/29/88/196342988.db2.gz VVIDLOPIVFRTCJ-UJJTZGENSA-N 1 3 299.418 2.149 20 30 CEEDHO C=CCCCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325203 415780673 /nfs/dbraw/zinc/78/06/73/415780673.db2.gz CPRNVPVSLNXXNK-HNNXBMFYSA-N 1 3 254.418 2.385 20 30 CEEDHO C=C(C)CCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364368293 262219693 /nfs/dbraw/zinc/21/96/93/262219693.db2.gz ZOAWAZHKRKZTQU-MRXNPFEDSA-N 1 3 265.445 2.053 20 30 CEEDHO C=C(C)CCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364368293 262219697 /nfs/dbraw/zinc/21/96/97/262219697.db2.gz ZOAWAZHKRKZTQU-MRXNPFEDSA-N 1 3 265.445 2.053 20 30 CEEDHO CC[NH+](CC)[C@H](CNC(=O)C(C)C#N)Cc1ccccc1 ZINC000357841234 266375320 /nfs/dbraw/zinc/37/53/20/266375320.db2.gz VFVQYCPEGMVUGF-HOCLYGCPSA-N 1 3 287.407 2.215 20 30 CEEDHO CCC[NH+]1CCC(CNCc2ccc(C#N)o2)CC1 ZINC000174351257 312689772 /nfs/dbraw/zinc/68/97/72/312689772.db2.gz PPYZCZYTILBTAV-UHFFFAOYSA-N 1 3 261.369 2.363 20 30 CEEDHO C=C(CNC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000287308633 328250732 /nfs/dbraw/zinc/25/07/32/328250732.db2.gz UFMNBDTYDQRMQJ-INIZCTEOSA-N 1 3 286.423 2.088 20 30 CEEDHO CC(C)NC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000262417089 330009092 /nfs/dbraw/zinc/00/90/92/330009092.db2.gz QIVYDSRUQPRXBG-JSGCOSHPSA-N 1 3 294.468 2.444 20 30 CEEDHO N#CCCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033961 330166311 /nfs/dbraw/zinc/16/63/11/330166311.db2.gz PGRLFRDWYGGGLT-ZBFHGGJFSA-N 1 3 271.364 2.136 20 30 CEEDHO C(#CC[NH+]1C[C@@H]2CCC[C@H]2C1)CN1C[C@@H]2CCC[C@H]2C1 ZINC000472604394 331539932 /nfs/dbraw/zinc/53/99/32/331539932.db2.gz PIFNMSQREDLXFB-XSLAGTTESA-N 1 3 272.436 2.454 20 30 CEEDHO C=C(C)CN[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000188803179 333174090 /nfs/dbraw/zinc/17/40/90/333174090.db2.gz BRJXEOMTRCWHOL-HUUCEWRRSA-N 1 3 254.418 2.289 20 30 CEEDHO C=C(C)CN[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000188803179 333174091 /nfs/dbraw/zinc/17/40/91/333174091.db2.gz BRJXEOMTRCWHOL-HUUCEWRRSA-N 1 3 254.418 2.289 20 30 CEEDHO C=CCC[C@@H](CC)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353669915 527424796 /nfs/dbraw/zinc/42/47/96/527424796.db2.gz KHPIXXYZSLQRHJ-MRXNPFEDSA-N 1 3 295.471 2.313 20 30 CEEDHO C=C(C)C[C@H](CO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000925770695 628768487 /nfs/dbraw/zinc/76/84/87/628768487.db2.gz KOBYCOTVDNDLME-RBSFLKMASA-N 1 3 254.418 2.214 20 30 CEEDHO C#Cc1ccc(C[NH2+]C[C@H]2CCCN(CC)C2)cc1 ZINC000809612002 632111066 /nfs/dbraw/zinc/11/10/66/632111066.db2.gz SYCYDKOTSOCKNN-QGZVFWFLSA-N 1 3 256.393 2.489 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(C)nc1C ZINC000815651806 633044200 /nfs/dbraw/zinc/04/42/00/633044200.db2.gz DOSXSNQPAOIFKI-CQSZACIVSA-N 1 3 259.397 2.304 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(C)nc1C ZINC000815651806 633044207 /nfs/dbraw/zinc/04/42/07/633044207.db2.gz DOSXSNQPAOIFKI-CQSZACIVSA-N 1 3 259.397 2.304 20 30 CEEDHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017960 634927328 /nfs/dbraw/zinc/92/73/28/634927328.db2.gz ULVXJMVDVHILTQ-ZIAGYGMSSA-N 1 3 272.396 2.336 20 30 CEEDHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017960 634927331 /nfs/dbraw/zinc/92/73/31/634927331.db2.gz ULVXJMVDVHILTQ-ZIAGYGMSSA-N 1 3 272.396 2.336 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903177732 634999655 /nfs/dbraw/zinc/99/96/55/634999655.db2.gz AQIZUDWTKCVLHS-HJGRSGLPSA-N 1 3 262.397 2.077 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177732 634999658 /nfs/dbraw/zinc/99/96/58/634999658.db2.gz AQIZUDWTKCVLHS-HJGRSGLPSA-N 1 3 262.397 2.077 20 30 CEEDHO C=CC[C@@H](C)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000878020812 650975918 /nfs/dbraw/zinc/97/59/18/650975918.db2.gz QMSYOKBFMABAHV-ZACQAIPSSA-N 1 3 279.472 2.441 20 30 CEEDHO C=CC[C@@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000878020812 650975920 /nfs/dbraw/zinc/97/59/20/650975920.db2.gz QMSYOKBFMABAHV-ZACQAIPSSA-N 1 3 279.472 2.441 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001088325942 806119558 /nfs/dbraw/zinc/11/95/58/806119558.db2.gz CCKNICRMALGQEL-OAHLLOKOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCN1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621689 806569188 /nfs/dbraw/zinc/56/91/88/806569188.db2.gz OOXCRPPXONTQCX-OAGGEKHMSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCN1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621689 806569197 /nfs/dbraw/zinc/56/91/97/806569197.db2.gz OOXCRPPXONTQCX-OAGGEKHMSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001266853070 802943113 /nfs/dbraw/zinc/94/31/13/802943113.db2.gz DSSMFULFFXYHET-JKSUJKDBSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001266853070 802943116 /nfs/dbraw/zinc/94/31/16/802943116.db2.gz DSSMFULFFXYHET-JKSUJKDBSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001267116900 803140103 /nfs/dbraw/zinc/14/01/03/803140103.db2.gz JIQJIYGQRXMYRI-HZPDHXFCSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001038322518 803574525 /nfs/dbraw/zinc/57/45/25/803574525.db2.gz SAFWKDQOYMBJBR-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001038322518 803574529 /nfs/dbraw/zinc/57/45/29/803574529.db2.gz SAFWKDQOYMBJBR-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001034642719 809649937 /nfs/dbraw/zinc/64/99/37/809649937.db2.gz JUTQRDUZFPABER-JYJNAYRXSA-N 1 3 293.455 2.062 20 30 CEEDHO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000172621134 810409594 /nfs/dbraw/zinc/40/95/94/810409594.db2.gz ONLGNNYUJVFXSU-INIZCTEOSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000172621134 810409597 /nfs/dbraw/zinc/40/95/97/810409597.db2.gz ONLGNNYUJVFXSU-INIZCTEOSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000172621134 810409600 /nfs/dbraw/zinc/40/96/00/810409600.db2.gz ONLGNNYUJVFXSU-INIZCTEOSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001020151171 810773477 /nfs/dbraw/zinc/77/34/77/810773477.db2.gz NTHBDIWNPXDRMB-SHTZXODSSA-N 1 3 293.455 2.064 20 30 CEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052717740 812452174 /nfs/dbraw/zinc/45/21/74/812452174.db2.gz YOXINVDELUUPTH-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052717740 812452175 /nfs/dbraw/zinc/45/21/75/812452175.db2.gz YOXINVDELUUPTH-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CN1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433038 812851082 /nfs/dbraw/zinc/85/10/82/812851082.db2.gz JRDYKJAQRQPJFH-JKSUJKDBSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCCCCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133419938 813054069 /nfs/dbraw/zinc/05/40/69/813054069.db2.gz ZCTMEGWUBZFKEA-OAHLLOKOSA-N 1 3 283.460 2.025 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171360175 814660105 /nfs/dbraw/zinc/66/01/05/814660105.db2.gz XKUBQPUPDBJIKP-HOTGVXAUSA-N 1 3 297.487 2.413 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175262714 816164457 /nfs/dbraw/zinc/16/44/57/816164457.db2.gz KIKRMZHDIWEPGV-JKSUJKDBSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CCNC(=O)[C@H](C)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000066960874 343727871 /nfs/dbraw/zinc/72/78/71/343727871.db2.gz OVBSGLDCGDXORF-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCNC(=O)[C@H](C)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960874 343727874 /nfs/dbraw/zinc/72/78/74/343727874.db2.gz OVBSGLDCGDXORF-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)CNC(=[NH2+])NCC[C@H](C)N(C)Cc1ccccc1 ZINC000083052668 344074629 /nfs/dbraw/zinc/07/46/29/344074629.db2.gz GSUPFBKCYMRKIR-HNNXBMFYSA-N 1 3 288.439 2.377 20 30 CEEDHO C[N@H+]1CC=C(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000404062282 530047486 /nfs/dbraw/zinc/04/74/86/530047486.db2.gz MLTWFXZOLWKBDI-UHFFFAOYSA-N 1 3 259.328 2.049 20 30 CEEDHO C[N@@H+]1CC=C(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000404062282 530047487 /nfs/dbraw/zinc/04/74/87/530047487.db2.gz MLTWFXZOLWKBDI-UHFFFAOYSA-N 1 3 259.328 2.049 20 30 CEEDHO COC[C@@H](CCC[NH3+])NCc1ccc(C#N)c(Cl)c1 ZINC000591573468 345265403 /nfs/dbraw/zinc/26/54/03/345265403.db2.gz ZCZIEJOGMBQEHR-CYBMUJFWSA-N 1 3 281.787 2.055 20 30 CEEDHO CN1CCC(C[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000063120758 362751011 /nfs/dbraw/zinc/75/10/11/362751011.db2.gz ZJYNLKKBOKDOSZ-UHFFFAOYSA-N 1 3 257.381 2.332 20 30 CEEDHO CN1CCC(C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000063120758 362751015 /nfs/dbraw/zinc/75/10/15/362751015.db2.gz ZJYNLKKBOKDOSZ-UHFFFAOYSA-N 1 3 257.381 2.332 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(N)CCOCC1 ZINC000600712171 346675766 /nfs/dbraw/zinc/67/57/66/346675766.db2.gz VKWBNMQRKFWKET-INIZCTEOSA-N 1 3 285.391 2.033 20 30 CEEDHO C[N@H+](CCCNC[C@H](O)CC1(C#N)CC1)C1CCCCC1 ZINC000600719308 346677780 /nfs/dbraw/zinc/67/77/80/346677780.db2.gz UXUCLLLFJWDANZ-MRXNPFEDSA-N 1 3 293.455 2.285 20 30 CEEDHO C[N@@H+](CCCNC[C@H](O)CC1(C#N)CC1)C1CCCCC1 ZINC000600719308 346677784 /nfs/dbraw/zinc/67/77/84/346677784.db2.gz UXUCLLLFJWDANZ-MRXNPFEDSA-N 1 3 293.455 2.285 20 30 CEEDHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000121100990 365523609 /nfs/dbraw/zinc/52/36/09/365523609.db2.gz ZVLLJIRMYQRSLK-CQSZACIVSA-N 1 3 275.371 2.471 20 30 CEEDHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000121100990 365523613 /nfs/dbraw/zinc/52/36/13/365523613.db2.gz ZVLLJIRMYQRSLK-CQSZACIVSA-N 1 3 275.371 2.471 20 30 CEEDHO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)ccc1C#N ZINC000234964138 370552679 /nfs/dbraw/zinc/55/26/79/370552679.db2.gz ITNUTJLNVHEUSL-LBPRGKRZSA-N 1 3 273.380 2.126 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000248169075 371166743 /nfs/dbraw/zinc/16/67/43/371166743.db2.gz UJXJPQWECWHXIS-YQQAZPJKSA-N 1 3 279.472 2.345 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000264045833 371957222 /nfs/dbraw/zinc/95/72/22/371957222.db2.gz KQOPZOAXKSDOLN-ZIAGYGMSSA-N 1 3 292.427 2.065 20 30 CEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264075136 371963409 /nfs/dbraw/zinc/96/34/09/371963409.db2.gz HABKFQSKKVKGHB-MRXNPFEDSA-N 1 3 286.423 2.386 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000264113458 371972373 /nfs/dbraw/zinc/97/23/73/371972373.db2.gz RRSYHAAWJQDJKN-CYBMUJFWSA-N 1 3 292.452 2.050 20 30 CEEDHO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1 ZINC000332380644 377583844 /nfs/dbraw/zinc/58/38/44/377583844.db2.gz GMJNZDKWGRWGEG-RHSMWYFYSA-N 1 3 298.434 2.257 20 30 CEEDHO C[NH+](C)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433340410 377789230 /nfs/dbraw/zinc/78/92/30/377789230.db2.gz BLNBLYDVGQYINZ-INIZCTEOSA-N 1 3 299.418 2.312 20 30 CEEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000442793722 377995720 /nfs/dbraw/zinc/99/57/20/377995720.db2.gz OLKVOHUXCXERTF-QKPAOTATSA-N 1 3 279.428 2.158 20 30 CEEDHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C#N ZINC000278367389 394829574 /nfs/dbraw/zinc/82/95/74/394829574.db2.gz BWJLSOAQPIDBIA-MQVJKMGUSA-N 1 3 285.391 2.282 20 30 CEEDHO CC[NH+](CC)[C@@H](CNC(=O)C(C)C#N)CC(C)C ZINC000345493068 395067689 /nfs/dbraw/zinc/06/76/89/395067689.db2.gz VHIHBIRKKSGKIR-CHWSQXEVSA-N 1 3 253.390 2.019 20 30 CEEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000357814364 266370644 /nfs/dbraw/zinc/37/06/44/266370644.db2.gz FFRAUYSPABQRAP-CQSZACIVSA-N 1 3 285.391 2.448 20 30 CEEDHO N#CCSCCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000173867565 329153130 /nfs/dbraw/zinc/15/31/30/329153130.db2.gz OUAQNQYQSPQOOZ-UHFFFAOYSA-N 1 3 281.469 2.441 20 30 CEEDHO C[NH+]=C(NCC1CC1)NCC1(N(C)C)CCCCCC1 ZINC000262721056 330028405 /nfs/dbraw/zinc/02/84/05/330028405.db2.gz FSZKYLXSZRAAHO-UHFFFAOYSA-N 1 3 280.460 2.216 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422834976 330156836 /nfs/dbraw/zinc/15/68/36/330156836.db2.gz ONLSNHHNKXBBJF-YESZJQIVSA-N 1 3 279.472 2.415 20 30 CEEDHO COC[C@H](CCC[NH3+])N[C@H](CCC#N)c1ccccc1 ZINC000422994129 330163186 /nfs/dbraw/zinc/16/31/86/330163186.db2.gz HARLSKQOFDBZHO-JKSUJKDBSA-N 1 3 275.396 2.375 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422972652 330164664 /nfs/dbraw/zinc/16/46/64/330164664.db2.gz ACOWISKDQGRJCP-ZBFHGGJFSA-N 1 3 265.445 2.134 20 30 CEEDHO C=CCCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000344773319 527198069 /nfs/dbraw/zinc/19/80/69/527198069.db2.gz ONYCLUCDWURLGG-IRXDYDNUSA-N 1 3 279.472 2.443 20 30 CEEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)C#N)C1 ZINC000347102258 529298040 /nfs/dbraw/zinc/29/80/40/529298040.db2.gz HTSQWTKLNKZMEW-CHWSQXEVSA-N 1 3 265.401 2.163 20 30 CEEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)C#N)C1 ZINC000347102258 529298041 /nfs/dbraw/zinc/29/80/41/529298041.db2.gz HTSQWTKLNKZMEW-CHWSQXEVSA-N 1 3 265.401 2.163 20 30 CEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001014632906 632639621 /nfs/dbraw/zinc/63/96/21/632639621.db2.gz RYUQQKJDFGJISE-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001014632906 632639627 /nfs/dbraw/zinc/63/96/27/632639627.db2.gz RYUQQKJDFGJISE-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(CC[NH+](C)C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000900313513 633656566 /nfs/dbraw/zinc/65/65/66/633656566.db2.gz ZZFVELSYFDJOSO-UHFFFAOYSA-N 1 3 295.471 2.075 20 30 CEEDHO N#CCOc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817916965 633775742 /nfs/dbraw/zinc/77/57/42/633775742.db2.gz BVDAAGOXWMZPPD-GDBMZVCRSA-N 1 3 273.380 2.196 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903187418 635012937 /nfs/dbraw/zinc/01/29/37/635012937.db2.gz SXCKKFATWCTEAP-DAQHESOFSA-N 1 3 276.424 2.467 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903187418 635012940 /nfs/dbraw/zinc/01/29/40/635012940.db2.gz SXCKKFATWCTEAP-DAQHESOFSA-N 1 3 276.424 2.467 20 30 CEEDHO N#Cc1ccc(C2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000903825284 635292219 /nfs/dbraw/zinc/29/22/19/635292219.db2.gz YLQGDGXZPRWUAM-HNNXBMFYSA-N 1 3 269.392 2.347 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911708864 638385362 /nfs/dbraw/zinc/38/53/62/638385362.db2.gz YSZQQTIJCNECGB-CABCVRRESA-N 1 3 283.460 2.180 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001001010829 642675930 /nfs/dbraw/zinc/67/59/30/642675930.db2.gz XJHVMKJMXHQAMT-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001003627843 642962245 /nfs/dbraw/zinc/96/22/45/642962245.db2.gz IXOAHCMFHGSSPE-OAHLLOKOSA-N 1 3 293.455 2.018 20 30 CEEDHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccccc2C#N)CC1 ZINC000873239412 649605484 /nfs/dbraw/zinc/60/54/84/649605484.db2.gz VOQIOAZSHMQSNM-RHSMWYFYSA-N 1 3 298.434 2.115 20 30 CEEDHO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247757 649607818 /nfs/dbraw/zinc/60/78/18/649607818.db2.gz TZUBOFQJFDSNHB-KGLIPLIRSA-N 1 3 299.422 2.416 20 30 CEEDHO C=CCC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@@H]1CCCO1 ZINC000883224564 652405819 /nfs/dbraw/zinc/40/58/19/652405819.db2.gz OLAVOBIEPPHYPL-KKUMJFAQSA-N 1 3 254.418 2.288 20 30 CEEDHO C=C(C)C[C@H](CO)NC1CC[NH+](C(C)(C)C)CC1 ZINC000883390166 652452554 /nfs/dbraw/zinc/45/25/54/652452554.db2.gz HALRSJFVLVKKLU-CQSZACIVSA-N 1 3 254.418 2.166 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001088330893 806123840 /nfs/dbraw/zinc/12/38/40/806123840.db2.gz KTDNSOHFUMUIST-CVEARBPZSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCCC1 ZINC001115574762 814724347 /nfs/dbraw/zinc/72/43/47/814724347.db2.gz OWFFIZVRCJGLON-UHFFFAOYSA-N 1 3 293.455 2.065 20 30 CEEDHO C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001269990777 805304325 /nfs/dbraw/zinc/30/43/25/805304325.db2.gz BTYKKVLGKPBXGB-SHTZXODSSA-N 1 3 293.455 2.064 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001122384719 815407779 /nfs/dbraw/zinc/40/77/79/815407779.db2.gz QEOJBGPNDVNUEQ-GBJTYRQASA-N 1 3 281.444 2.073 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584531 813293266 /nfs/dbraw/zinc/29/32/66/813293266.db2.gz UYCLXBPLPDGMJA-GJZGRUSLSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426612 814118950 /nfs/dbraw/zinc/11/89/50/814118950.db2.gz QXAVOWGRWHBMQB-GPANFISMSA-N 1 3 295.471 2.023 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171358405 814659114 /nfs/dbraw/zinc/65/91/14/814659114.db2.gz GCPRMRCNHYGPHS-CVEARBPZSA-N 1 3 297.487 2.413 20 30 CEEDHO C[NH+](C)[C@H]1C[C@@H](CNCc2cccc(F)c2C#N)C1 ZINC000602028547 346964198 /nfs/dbraw/zinc/96/41/98/346964198.db2.gz PIBOQWLFOFKNDD-BJHJDKERSA-N 1 3 261.344 2.127 20 30 CEEDHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533032 347068792 /nfs/dbraw/zinc/06/87/92/347068792.db2.gz YMUISWNGYYBNNO-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533032 347068794 /nfs/dbraw/zinc/06/87/94/347068794.db2.gz YMUISWNGYYBNNO-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533032 347068797 /nfs/dbraw/zinc/06/87/97/347068797.db2.gz YMUISWNGYYBNNO-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525056 347066179 /nfs/dbraw/zinc/06/61/79/347066179.db2.gz QCEPFMNLCPQKJN-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO CC[N@H+]1CCC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525056 347066181 /nfs/dbraw/zinc/06/61/81/347066181.db2.gz QCEPFMNLCPQKJN-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1CN ZINC000595893515 345908686 /nfs/dbraw/zinc/90/86/86/345908686.db2.gz RXLJFEJPDNJOPO-CJNGLKHVSA-N 1 3 257.381 2.017 20 30 CEEDHO C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1CN ZINC000595893515 345908689 /nfs/dbraw/zinc/90/86/89/345908689.db2.gz RXLJFEJPDNJOPO-CJNGLKHVSA-N 1 3 257.381 2.017 20 30 CEEDHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595512 346380086 /nfs/dbraw/zinc/38/00/86/346380086.db2.gz OUYUAISOMOBMRC-GJZGRUSLSA-N 1 3 281.444 2.093 20 30 CEEDHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595512 346380087 /nfs/dbraw/zinc/38/00/87/346380087.db2.gz OUYUAISOMOBMRC-GJZGRUSLSA-N 1 3 281.444 2.093 20 30 CEEDHO COCC[N@H+](C)CCCN[C@H](C)c1cccc(C#N)c1 ZINC000181488382 189297896 /nfs/dbraw/zinc/29/78/96/189297896.db2.gz JILASPBPYUNYGF-CQSZACIVSA-N 1 3 275.396 2.177 20 30 CEEDHO COCC[N@@H+](C)CCCN[C@H](C)c1cccc(C#N)c1 ZINC000181488382 189297897 /nfs/dbraw/zinc/29/78/97/189297897.db2.gz JILASPBPYUNYGF-CQSZACIVSA-N 1 3 275.396 2.177 20 30 CEEDHO C#CCOc1ccccc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089107 364139946 /nfs/dbraw/zinc/13/99/46/364139946.db2.gz XXPWLCNPFGJYRI-UHFFFAOYSA-N 1 3 286.419 2.472 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@H](NCCCC#N)[C@H](C)C1 ZINC000184088168 368669994 /nfs/dbraw/zinc/66/99/94/368669994.db2.gz BRWHBDZXVGPELV-CABCVRRESA-N 1 3 267.417 2.017 20 30 CEEDHO CCOCCC[N@H+]1CC[C@H](NCCCC#N)[C@H](C)C1 ZINC000184088168 368670000 /nfs/dbraw/zinc/67/00/00/368670000.db2.gz BRWHBDZXVGPELV-CABCVRRESA-N 1 3 267.417 2.017 20 30 CEEDHO C=CCOc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000346694233 368778156 /nfs/dbraw/zinc/77/81/56/368778156.db2.gz SUHIXZLLOSSJHB-HIFRSBDPSA-N 1 3 260.381 2.421 20 30 CEEDHO N#Cc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000572951393 299414854 /nfs/dbraw/zinc/41/48/54/299414854.db2.gz MIIAQSAHUJOOCG-KSZLIROESA-N 1 3 299.418 2.447 20 30 CEEDHO N#Cc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252858252 371483716 /nfs/dbraw/zinc/48/37/16/371483716.db2.gz LUWODUSFCORUMP-JYJNAYRXSA-N 1 3 255.365 2.117 20 30 CEEDHO CCN(CC)Cc1ccccc1CNC(NC1CC1)=[NH+]C ZINC000264042085 371957231 /nfs/dbraw/zinc/95/72/31/371957231.db2.gz JAORIXMPGLQCRW-UHFFFAOYSA-N 1 3 288.439 2.356 20 30 CEEDHO C[NH+](C)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433340411 377789708 /nfs/dbraw/zinc/78/97/08/377789708.db2.gz BLNBLYDVGQYINZ-MRXNPFEDSA-N 1 3 299.418 2.312 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NC[C@@H](C(C)C)N1CCCC1 ZINC000103338388 394714361 /nfs/dbraw/zinc/71/43/61/394714361.db2.gz XZCRLNZHXNQMRE-HNNXBMFYSA-N 1 3 292.427 2.065 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@@H](C)C1 ZINC000339097237 394942776 /nfs/dbraw/zinc/94/27/76/394942776.db2.gz XDSKYPYBZBHPGY-HZMVEIRTSA-N 1 3 293.455 2.405 20 30 CEEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@@H](C)C1 ZINC000339097237 394942777 /nfs/dbraw/zinc/94/27/77/394942777.db2.gz XDSKYPYBZBHPGY-HZMVEIRTSA-N 1 3 293.455 2.405 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000152987590 394999956 /nfs/dbraw/zinc/99/99/56/394999956.db2.gz UJXJPQWECWHXIS-INMHGKMJSA-N 1 3 279.472 2.345 20 30 CEEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(C)(C)CCC#N ZINC000374253226 395077744 /nfs/dbraw/zinc/07/77/44/395077744.db2.gz GIVBZVFQMXNPSI-OAGGEKHMSA-N 1 3 293.455 2.500 20 30 CEEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCC(C)(C)C#N ZINC000374421775 395081312 /nfs/dbraw/zinc/08/13/12/395081312.db2.gz PLGOLLANCHKGLF-PMPSAXMXSA-N 1 3 293.455 2.500 20 30 CEEDHO C=CCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000352258381 395249297 /nfs/dbraw/zinc/24/92/97/395249297.db2.gz WGWZSENIPYAJSK-HUUCEWRRSA-N 1 3 266.429 2.384 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1cccc(C#N)c1)C2 ZINC000285665328 196359655 /nfs/dbraw/zinc/35/96/55/196359655.db2.gz ZJEPJVRDWUMRSJ-SJPCQFCGSA-N 1 3 299.418 2.494 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1cccc(C#N)c1)C2 ZINC000285665328 196359657 /nfs/dbraw/zinc/35/96/57/196359657.db2.gz ZJEPJVRDWUMRSJ-SJPCQFCGSA-N 1 3 299.418 2.494 20 30 CEEDHO C=CCN(Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252322 415714079 /nfs/dbraw/zinc/71/40/79/415714079.db2.gz PGQXWRLPNHDVNJ-MRXNPFEDSA-N 1 3 272.392 2.196 20 30 CEEDHO C#C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000298085824 260143365 /nfs/dbraw/zinc/14/33/65/260143365.db2.gz MFPANLOFIVAAJB-INIZCTEOSA-N 1 3 257.381 2.298 20 30 CEEDHO C=CCOc1ccc(C[NH2+][C@H](C)CN)cc1Cl ZINC000414932104 263137980 /nfs/dbraw/zinc/13/79/80/263137980.db2.gz RESUVUKIWHTJPI-SNVBAGLBSA-N 1 3 254.761 2.342 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347031903 279180886 /nfs/dbraw/zinc/18/08/86/279180886.db2.gz FINDWUYOUFFRMV-YIYPIFLZSA-N 1 3 263.385 2.010 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347031903 279180887 /nfs/dbraw/zinc/18/08/87/279180887.db2.gz FINDWUYOUFFRMV-YIYPIFLZSA-N 1 3 263.385 2.010 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423095887 330169843 /nfs/dbraw/zinc/16/98/43/330169843.db2.gz NJOQFXPOYIWXSI-XGUBFFRZSA-N 1 3 252.402 2.075 20 30 CEEDHO C=CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CCCC1 ZINC000423152695 330173150 /nfs/dbraw/zinc/17/31/50/330173150.db2.gz GIHMEJLXYZKZND-QLFBSQMISA-N 1 3 266.429 2.465 20 30 CEEDHO C=C(C)CN[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000188803148 333174029 /nfs/dbraw/zinc/17/40/29/333174029.db2.gz BRJXEOMTRCWHOL-CABCVRRESA-N 1 3 254.418 2.289 20 30 CEEDHO C=C(C)CN[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000188803148 333174030 /nfs/dbraw/zinc/17/40/30/333174030.db2.gz BRJXEOMTRCWHOL-CABCVRRESA-N 1 3 254.418 2.289 20 30 CEEDHO CC(C#N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000347033422 335372818 /nfs/dbraw/zinc/37/28/18/335372818.db2.gz HMHIFDMOQASTGJ-AWEZNQCLSA-N 1 3 285.391 2.174 20 30 CEEDHO C#CCOc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000113320904 527105685 /nfs/dbraw/zinc/10/56/85/527105685.db2.gz NGZLBJVKLIBSQO-MRXNPFEDSA-N 1 3 284.403 2.273 20 30 CEEDHO C#CC[N@@H+](C)CCCNCc1ccc(OCC)c(OC)c1 ZINC000328016842 631862343 /nfs/dbraw/zinc/86/23/43/631862343.db2.gz RJSROWOSLPWLDN-UHFFFAOYSA-N 1 3 290.407 2.139 20 30 CEEDHO C#CC[N@H+](C)CCCNCc1ccc(OCC)c(OC)c1 ZINC000328016842 631862346 /nfs/dbraw/zinc/86/23/46/631862346.db2.gz RJSROWOSLPWLDN-UHFFFAOYSA-N 1 3 290.407 2.139 20 30 CEEDHO CC[NH+]=C(NCCNC(C)(C)C)N1CCC[C@H](C)C1 ZINC000086821767 632263774 /nfs/dbraw/zinc/26/37/74/632263774.db2.gz GMZSDGKYMNYIRU-ZDUSSCGKSA-N 1 3 268.449 2.072 20 30 CEEDHO COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000817916069 633774437 /nfs/dbraw/zinc/77/44/37/633774437.db2.gz ULOJAFHOYARJBZ-HIFRSBDPSA-N 1 3 273.380 2.174 20 30 CEEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819024258 634044390 /nfs/dbraw/zinc/04/43/90/634044390.db2.gz MWMFKMKJJZPLSO-QGZVFWFLSA-N 1 3 292.398 2.489 20 30 CEEDHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902945186 634897269 /nfs/dbraw/zinc/89/72/69/634897269.db2.gz RIFSYCXYYRGSJF-CYBMUJFWSA-N 1 3 272.396 2.336 20 30 CEEDHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cc(C#N)ccn1 ZINC000902975824 634916030 /nfs/dbraw/zinc/91/60/30/634916030.db2.gz JOZXKINLCGGWQW-CYBMUJFWSA-N 1 3 284.407 2.478 20 30 CEEDHO C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001002793179 642836098 /nfs/dbraw/zinc/83/60/98/642836098.db2.gz WSAZZIOZWACLCS-INIZCTEOSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001004207111 643117206 /nfs/dbraw/zinc/11/72/06/643117206.db2.gz OMGHWXLEUYBCOJ-GASCZTMLSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[C@H](O)C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923413397 643702330 /nfs/dbraw/zinc/70/23/30/643702330.db2.gz FOHRZOCNYPOSNP-ZFWWWQNUSA-N 1 3 254.418 2.010 20 30 CEEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923413397 643702332 /nfs/dbraw/zinc/70/23/32/643702332.db2.gz FOHRZOCNYPOSNP-ZFWWWQNUSA-N 1 3 254.418 2.010 20 30 CEEDHO C=CC[C@H](C)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000715051411 814926185 /nfs/dbraw/zinc/92/61/85/814926185.db2.gz CDHCQGUXOMFSHU-DCAQKATOSA-N 1 3 250.308 2.410 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879039 804313131 /nfs/dbraw/zinc/31/31/31/804313131.db2.gz LYHPPOVXBKFGMW-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879039 804313139 /nfs/dbraw/zinc/31/31/39/804313139.db2.gz LYHPPOVXBKFGMW-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO CC1(C#N)CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168387320 807041400 /nfs/dbraw/zinc/04/14/00/807041400.db2.gz CUHFTWJZKVJNCW-UHFFFAOYSA-N 1 3 261.413 2.486 20 30 CEEDHO CN(CCC#N)c1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117569 807706102 /nfs/dbraw/zinc/70/61/02/807706102.db2.gz RJLCXLOUTKJLAT-MRXNPFEDSA-N 1 3 286.423 2.350 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001085196802 809759230 /nfs/dbraw/zinc/75/92/30/809759230.db2.gz ONMHHUQVBQGUAT-BZUAXINKSA-N 1 3 293.455 2.062 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001121909583 815366546 /nfs/dbraw/zinc/36/65/46/815366546.db2.gz VUMGCJCLGWYGLQ-HZPDHXFCSA-N 1 3 295.471 2.441 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001121909583 815366553 /nfs/dbraw/zinc/36/65/53/815366553.db2.gz VUMGCJCLGWYGLQ-HZPDHXFCSA-N 1 3 295.471 2.441 20 30 CEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052620896 813012454 /nfs/dbraw/zinc/01/24/54/813012454.db2.gz VAZVHDQBLQXBGZ-OAHLLOKOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052620896 813012466 /nfs/dbraw/zinc/01/24/66/813012466.db2.gz VAZVHDQBLQXBGZ-OAHLLOKOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115777406 814755042 /nfs/dbraw/zinc/75/50/42/814755042.db2.gz YHEPBBYUNZDRRO-UHFFFAOYSA-N 1 3 295.471 2.313 20 30 CEEDHO C=CCOC1CCC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001173322287 815674214 /nfs/dbraw/zinc/67/42/14/815674214.db2.gz BJTMAPNPXYIKGV-XNIRIUNOSA-N 1 3 278.440 2.384 20 30 CEEDHO C=CCOC1CCC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001173322287 815674220 /nfs/dbraw/zinc/67/42/20/815674220.db2.gz BJTMAPNPXYIKGV-XNIRIUNOSA-N 1 3 278.440 2.384 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986047 816503357 /nfs/dbraw/zinc/50/33/57/816503357.db2.gz CMQXEAGBGGBMKH-HZPDHXFCSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534437 816869760 /nfs/dbraw/zinc/86/97/60/816869760.db2.gz LYYXEGABLXYHCI-PMPSAXMXSA-N 1 3 293.455 2.016 20 30 CEEDHO CC[C@@H](C)NC(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000060344337 343657052 /nfs/dbraw/zinc/65/70/52/343657052.db2.gz IGODKJSOTIVEQY-CQSZACIVSA-N 1 3 276.428 2.211 20 30 CEEDHO CCCNC(=[NH2+])NCC[C@H](C)N(C)Cc1ccccc1 ZINC000083052620 344074704 /nfs/dbraw/zinc/07/47/04/344074704.db2.gz IMUZHLHNCYOTTC-AWEZNQCLSA-N 1 3 276.428 2.211 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCNCC1 ZINC000591575923 345265317 /nfs/dbraw/zinc/26/53/17/345265317.db2.gz ZZXOEDIVJLMPNI-MRXNPFEDSA-N 1 3 255.365 2.277 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000593736975 345530060 /nfs/dbraw/zinc/53/00/60/345530060.db2.gz PKIUGQVGLJUBGC-OKZBNKHCSA-N 1 3 299.418 2.277 20 30 CEEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN(C)CCN(C)C)C1 ZINC000623087477 349934676 /nfs/dbraw/zinc/93/46/76/349934676.db2.gz TYMGPSHHPXMNBG-HZPDHXFCSA-N 1 3 267.461 2.204 20 30 CEEDHO Cc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600709066 346674863 /nfs/dbraw/zinc/67/48/63/346674863.db2.gz NYPZCYMZLVHIHD-UAGQMJEPSA-N 1 3 269.392 2.426 20 30 CEEDHO CN(C)CCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036182 179221843 /nfs/dbraw/zinc/22/18/43/179221843.db2.gz HZZPAQUDDMQTOM-UHFFFAOYSA-N 1 3 257.381 2.152 20 30 CEEDHO C=CCN(CC=C)[C@H](CNC(=O)CC1([NH3+])CCC1)C(C)C ZINC000236678859 539818065 /nfs/dbraw/zinc/81/80/65/539818065.db2.gz SMEFSRASWWFVIL-OAHLLOKOSA-N 1 3 293.455 2.073 20 30 CEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1cccc(C#N)c1 ZINC000150972984 366609649 /nfs/dbraw/zinc/60/96/49/366609649.db2.gz KUFWIOULOFGCID-INIZCTEOSA-N 1 3 275.396 2.005 20 30 CEEDHO C=C(C)CN1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000151003162 366612666 /nfs/dbraw/zinc/61/26/66/366612666.db2.gz ZXUAKOXVNCNENW-UHFFFAOYSA-N 1 3 295.471 2.123 20 30 CEEDHO C=CCOc1cccc(CN2CCC(C[NH3+])CC2)c1 ZINC000346656753 368755995 /nfs/dbraw/zinc/75/59/95/368755995.db2.gz QUTUWAIDDGHLQW-UHFFFAOYSA-N 1 3 260.381 2.422 20 30 CEEDHO C[NH+](C)CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349822477 369411764 /nfs/dbraw/zinc/41/17/64/369411764.db2.gz POSVSNZOZXPWFA-JKSUJKDBSA-N 1 3 287.407 2.409 20 30 CEEDHO N#Cc1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000572951395 299414683 /nfs/dbraw/zinc/41/46/83/299414683.db2.gz MIIAQSAHUJOOCG-KZNAEPCWSA-N 1 3 299.418 2.447 20 30 CEEDHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1C#N ZINC000235007176 370553812 /nfs/dbraw/zinc/55/38/12/370553812.db2.gz UDOITQWEXWPZOP-CQSZACIVSA-N 1 3 285.391 2.141 20 30 CEEDHO CCN(CC)Cc1ccccc1CNC(=[NH2+])NC1CC1 ZINC000264090263 371967319 /nfs/dbraw/zinc/96/73/19/371967319.db2.gz KSGFLNBUSXVWRS-UHFFFAOYSA-N 1 3 274.412 2.095 20 30 CEEDHO CCCNC(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000264125600 371973832 /nfs/dbraw/zinc/97/38/32/371973832.db2.gz SDMRCFSKWDEHOO-UHFFFAOYSA-N 1 3 276.428 2.341 20 30 CEEDHO C=CC[C@@H]1CC[C@H](N[C@H](CO)CC[NH+](CC)CC)C1 ZINC000641770695 372713886 /nfs/dbraw/zinc/71/38/86/372713886.db2.gz ZUOHIHHIEZSJNS-PMPSAXMXSA-N 1 3 268.445 2.414 20 30 CEEDHO COc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786761 375969613 /nfs/dbraw/zinc/96/96/13/375969613.db2.gz UUKYRQUBRRQXBR-IRXDYDNUSA-N 1 3 299.418 2.388 20 30 CEEDHO COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2N)ccc1C#N ZINC000423128680 377028389 /nfs/dbraw/zinc/02/83/89/377028389.db2.gz WETNABZCVDGJIT-GJZGRUSLSA-N 1 3 273.380 2.316 20 30 CEEDHO C=CCc1cc(C[NH2+]C[C@H](C)CN(C)C)cc(OC)c1O ZINC000291704640 377206840 /nfs/dbraw/zinc/20/68/40/377206840.db2.gz KMZIHNJPOQJTGY-ZDUSSCGKSA-N 1 3 292.423 2.417 20 30 CEEDHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C#N)cc1 ZINC000278683320 194101893 /nfs/dbraw/zinc/10/18/93/194101893.db2.gz JXHSRYKULPNUTI-MRXNPFEDSA-N 1 3 287.407 2.056 20 30 CEEDHO C#Cc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000279148356 194306377 /nfs/dbraw/zinc/30/63/77/194306377.db2.gz ZXRUXNJXFCXDBV-GOSISDBHSA-N 1 3 298.430 2.258 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000152941198 394999671 /nfs/dbraw/zinc/99/96/71/394999671.db2.gz QVZFJJFBOKZKIL-GOEBONIOSA-N 1 3 265.445 2.099 20 30 CEEDHO Cc1cc(CNCC2=CC[N@H+](C)CC2)ccc1C#N ZINC000443983948 395408521 /nfs/dbraw/zinc/40/85/21/395408521.db2.gz FDUOYXUEADHZGT-UHFFFAOYSA-N 1 3 255.365 2.218 20 30 CEEDHO Cc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1C#N ZINC000443983948 395408524 /nfs/dbraw/zinc/40/85/24/395408524.db2.gz FDUOYXUEADHZGT-UHFFFAOYSA-N 1 3 255.365 2.218 20 30 CEEDHO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000574031625 395624671 /nfs/dbraw/zinc/62/46/71/395624671.db2.gz FBVXYNBGNGJSCI-HWOWSKLDSA-N 1 3 285.391 2.200 20 30 CEEDHO C=CCOCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665263245 415656730 /nfs/dbraw/zinc/65/67/30/415656730.db2.gz JBESXFFAYOBDMK-GFCCVEGCSA-N 1 3 263.385 2.092 20 30 CEEDHO C=CCOCCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000665263830 415659685 /nfs/dbraw/zinc/65/96/85/415659685.db2.gz VVTMKSNMSBZEQM-GDBMZVCRSA-N 1 3 262.397 2.127 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000347121215 226033934 /nfs/dbraw/zinc/03/39/34/226033934.db2.gz YVPONWKVOZLFNB-STQMWFEESA-N 1 3 273.380 2.392 20 30 CEEDHO CCN(CC)Cc1ccccc1CNC(=[NH2+])N(C)C1CC1 ZINC000272884256 263009499 /nfs/dbraw/zinc/00/94/99/263009499.db2.gz ADFRGEUAOUENQE-UHFFFAOYSA-N 1 3 288.439 2.437 20 30 CEEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)CN(C)C ZINC000291989808 263126954 /nfs/dbraw/zinc/12/69/54/263126954.db2.gz WGMLNKLGZDSVIM-LBPRGKRZSA-N 1 3 274.412 2.100 20 30 CEEDHO Cc1ccc(NC(=[NH2+])NC[C@@H](C)CN(C)C)cc1C ZINC000292008890 263127209 /nfs/dbraw/zinc/12/72/09/263127209.db2.gz YLRDBIVTGOTKNL-LLVKDONJSA-N 1 3 262.401 2.228 20 30 CEEDHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065932 263127969 /nfs/dbraw/zinc/12/79/69/263127969.db2.gz DBRAREAHODYXOS-QGZVFWFLSA-N 1 3 285.391 2.117 20 30 CEEDHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065932 263127970 /nfs/dbraw/zinc/12/79/70/263127970.db2.gz DBRAREAHODYXOS-QGZVFWFLSA-N 1 3 285.391 2.117 20 30 CEEDHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000366691515 263132514 /nfs/dbraw/zinc/13/25/14/263132514.db2.gz BSBROURUULZYLB-TWMKSMIVSA-N 1 3 289.423 2.078 20 30 CEEDHO C=C(C)COCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000163589410 264357651 /nfs/dbraw/zinc/35/76/51/264357651.db2.gz OYMBSYWJEGATBT-LSDHHAIUSA-N 1 3 254.418 2.480 20 30 CEEDHO C=C(C)CN1CCC(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356265798 266083169 /nfs/dbraw/zinc/08/31/69/266083169.db2.gz FERNTFLFULQKIB-AWEZNQCLSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)CNC(=[NH2+])NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000370161399 267296058 /nfs/dbraw/zinc/29/60/58/267296058.db2.gz KFTWPDFXTVEBNL-GXTWGEPZSA-N 1 3 292.452 2.431 20 30 CEEDHO N#CC1(CNC2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000418144322 267364957 /nfs/dbraw/zinc/36/49/57/267364957.db2.gz SRLODIJBDAWTMC-UHFFFAOYSA-N 1 3 270.380 2.334 20 30 CEEDHO CC#CCN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266623 268062051 /nfs/dbraw/zinc/06/20/51/268062051.db2.gz LCPJFQUHBAJABT-UHFFFAOYSA-N 1 3 291.483 2.138 20 30 CEEDHO CC(C#N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000336428445 278182113 /nfs/dbraw/zinc/18/21/13/278182113.db2.gz QJCQUDQVOQABCY-AWEZNQCLSA-N 1 3 277.412 2.261 20 30 CEEDHO CC(C#N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000336428445 278182114 /nfs/dbraw/zinc/18/21/14/278182114.db2.gz QJCQUDQVOQABCY-AWEZNQCLSA-N 1 3 277.412 2.261 20 30 CEEDHO C[C@H](CCC#N)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351413566 289450664 /nfs/dbraw/zinc/45/06/64/289450664.db2.gz MDJKIIYWSQNJMT-BZUAXINKSA-N 1 3 293.455 2.500 20 30 CEEDHO C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414801739 328231769 /nfs/dbraw/zinc/23/17/69/328231769.db2.gz UQWITRUCOZITHE-GDBMZVCRSA-N 1 3 260.381 2.468 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H](C)[C@@H]2CCCCN2)CC1 ZINC000422981374 330162493 /nfs/dbraw/zinc/16/24/93/330162493.db2.gz SLMWZEFNJIXNFP-ZBFHGGJFSA-N 1 3 265.445 2.147 20 30 CEEDHO C=CC[C@H](CO)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423019379 330165636 /nfs/dbraw/zinc/16/56/36/330165636.db2.gz VKMFZHDTNHMMKJ-KKUMJFAQSA-N 1 3 254.418 2.071 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423152248 330173141 /nfs/dbraw/zinc/17/31/41/330173141.db2.gz LJQCXJZADNXHKO-JJXSEGSLSA-N 1 3 258.365 2.454 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423158680 330173590 /nfs/dbraw/zinc/17/35/90/330173590.db2.gz WYGYNDQEMJGARZ-TUVASFSCSA-N 1 3 252.402 2.230 20 30 CEEDHO C=CCC[C@H](CCC)NC[C@]1(COC)CCC[NH2+]1 ZINC000423447428 330202587 /nfs/dbraw/zinc/20/25/87/330202587.db2.gz ZQSKGZTXQKYQEJ-GJZGRUSLSA-N 1 3 254.418 2.480 20 30 CEEDHO C=C(C)CN[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249171667 334329215 /nfs/dbraw/zinc/32/92/15/334329215.db2.gz BRJXEOMTRCWHOL-GJZGRUSLSA-N 1 3 254.418 2.289 20 30 CEEDHO C=C(C)CN[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249171667 334329216 /nfs/dbraw/zinc/32/92/16/334329216.db2.gz BRJXEOMTRCWHOL-GJZGRUSLSA-N 1 3 254.418 2.289 20 30 CEEDHO C[NH+](C)CC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000732569600 574623455 /nfs/dbraw/zinc/62/34/55/574623455.db2.gz RXXQBCXHKKYYAE-UHFFFAOYSA-N 1 3 287.407 2.363 20 30 CEEDHO C[C@H]1CCC[C@@H]([NH+]2CCC(=Nn3cnnc3)CC2)C1 ZINC000733743526 574686108 /nfs/dbraw/zinc/68/61/08/574686108.db2.gz XCULTPXDKDPJGI-GXTWGEPZSA-N 1 3 261.373 2.157 20 30 CEEDHO C[C@H](CC(C)(C)C#N)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925559021 628224452 /nfs/dbraw/zinc/22/44/52/628224452.db2.gz VIFPGBQDYDYQOK-FVQBIDKESA-N 1 3 293.455 2.282 20 30 CEEDHO C=C(C)C[C@H](CO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000925770699 628768306 /nfs/dbraw/zinc/76/83/06/628768306.db2.gz KOBYCOTVDNDLME-SOUVJXGZSA-N 1 3 254.418 2.214 20 30 CEEDHO CSc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1C#N ZINC000925771542 628774009 /nfs/dbraw/zinc/77/40/09/628774009.db2.gz BULGFVYUOAOBGF-GXTWGEPZSA-N 1 3 275.421 2.497 20 30 CEEDHO C[C@H](CCN[C@@H](C)CC1(C#N)CCOCC1)[NH+](C)C ZINC000895292229 630080355 /nfs/dbraw/zinc/08/03/55/630080355.db2.gz NPLDUARTCUNZAP-UONOGXRCSA-N 1 3 267.417 2.015 20 30 CEEDHO C[C@H](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)N(C)C ZINC000895292229 630080358 /nfs/dbraw/zinc/08/03/58/630080358.db2.gz NPLDUARTCUNZAP-UONOGXRCSA-N 1 3 267.417 2.015 20 30 CEEDHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000900430813 633719813 /nfs/dbraw/zinc/71/98/13/633719813.db2.gz TYNCHRDCFGFZEM-UHFFFAOYSA-N 1 3 289.423 2.089 20 30 CEEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819134764 634079373 /nfs/dbraw/zinc/07/93/73/634079373.db2.gz MTWXSEKSSHLJOC-ZACQAIPSSA-N 1 3 287.407 2.054 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000903447306 635133012 /nfs/dbraw/zinc/13/30/12/635133012.db2.gz NUIGOJLCSTXBMJ-ZFWWWQNUSA-N 1 3 257.381 2.344 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000876774480 650428266 /nfs/dbraw/zinc/42/82/66/650428266.db2.gz XHSMWRYRTBYCTB-ZDUSSCGKSA-N 1 3 295.814 2.465 20 30 CEEDHO C=CCCOCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000231801634 639879822 /nfs/dbraw/zinc/87/98/22/639879822.db2.gz PXRIETILPIZNRX-LSDHHAIUSA-N 1 3 254.418 2.480 20 30 CEEDHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000877616349 650816215 /nfs/dbraw/zinc/81/62/15/650816215.db2.gz BFJGBFSTHPWQQC-GSJFWJNXSA-N 1 3 278.787 2.036 20 30 CEEDHO C#CCN(CC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000769107457 646207363 /nfs/dbraw/zinc/20/73/63/646207363.db2.gz VPOLZICAPOPLCD-UHFFFAOYSA-N 1 3 260.381 2.082 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@@H]1CCCCC[C@H]1[NH3+])C2 ZINC000873274439 649620721 /nfs/dbraw/zinc/62/07/21/649620721.db2.gz DHIHAVASHDISKB-BRWVUGGUSA-N 1 3 269.392 2.275 20 30 CEEDHO C=CC[C@H](C)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000878611273 651141666 /nfs/dbraw/zinc/14/16/66/651141666.db2.gz PQLZNGOLXYNPQU-HNNXBMFYSA-N 1 3 284.444 2.010 20 30 CEEDHO C=CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@@H]1CCCO1 ZINC000883224563 652405766 /nfs/dbraw/zinc/40/57/66/652405766.db2.gz OLAVOBIEPPHYPL-ILXRZTDVSA-N 1 3 254.418 2.288 20 30 CEEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211278678 802807508 /nfs/dbraw/zinc/80/75/08/802807508.db2.gz UAEKAWDMORMKHA-JKSUJKDBSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267025005 803066507 /nfs/dbraw/zinc/06/65/07/803066507.db2.gz CUXSHJOHWXDFTL-INIZCTEOSA-N 1 3 293.455 2.019 20 30 CEEDHO C#CC[C@@H](CO)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625707 815137374 /nfs/dbraw/zinc/13/73/74/815137374.db2.gz LZKPLWRMRCZQEC-VJANTYMQSA-N 1 3 298.430 2.013 20 30 CEEDHO C#CC[C@@H](CO)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625707 815137377 /nfs/dbraw/zinc/13/73/77/815137377.db2.gz LZKPLWRMRCZQEC-VJANTYMQSA-N 1 3 298.430 2.013 20 30 CEEDHO C#CC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716625707 815137380 /nfs/dbraw/zinc/13/73/80/815137380.db2.gz LZKPLWRMRCZQEC-VJANTYMQSA-N 1 3 298.430 2.013 20 30 CEEDHO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000172621130 810409241 /nfs/dbraw/zinc/40/92/41/810409241.db2.gz ONLGNNYUJVFXSU-MRXNPFEDSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000172621130 810409257 /nfs/dbraw/zinc/40/92/57/810409257.db2.gz ONLGNNYUJVFXSU-MRXNPFEDSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000172621130 810409263 /nfs/dbraw/zinc/40/92/63/810409263.db2.gz ONLGNNYUJVFXSU-MRXNPFEDSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109464405 811894231 /nfs/dbraw/zinc/89/42/31/811894231.db2.gz YXIOKIJVPMLOJM-ILXRZTDVSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109464405 811894238 /nfs/dbraw/zinc/89/42/38/811894238.db2.gz YXIOKIJVPMLOJM-ILXRZTDVSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517418 812871953 /nfs/dbraw/zinc/87/19/53/812871953.db2.gz CCAVAFSADUEDDX-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773740 813323169 /nfs/dbraw/zinc/32/31/69/813323169.db2.gz RCPWYJDOZPDLSK-ZIAGYGMSSA-N 1 3 283.460 2.166 20 30 CEEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCCNC1 ZINC001246090870 813680240 /nfs/dbraw/zinc/68/02/40/813680240.db2.gz MFVSUGROYRXBNH-CZUORRHYSA-N 1 3 257.381 2.221 20 30 CEEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100427679 814118850 /nfs/dbraw/zinc/11/88/50/814118850.db2.gz BGNQTISUUQUTSB-GPANFISMSA-N 1 3 295.471 2.023 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175263424 816165087 /nfs/dbraw/zinc/16/50/87/816165087.db2.gz POSUYMOZMPMHSG-HOTGVXAUSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263426 816165169 /nfs/dbraw/zinc/16/51/69/816165169.db2.gz POSUYMOZMPMHSG-HZPDHXFCSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CCC1([NH2+][C@@H]2CCN3CCC[C@H]3C2)CCOCC1 ZINC000668552438 539196673 /nfs/dbraw/zinc/19/66/73/539196673.db2.gz MGEHPAXJEFICQW-CABCVRRESA-N 1 3 264.413 2.328 20 30 CEEDHO CC[N@H+](CCCNC(=O)C(C)C#N)C1CCCCC1 ZINC000593787861 345538980 /nfs/dbraw/zinc/53/89/80/345538980.db2.gz VLPNCKBKSPFHBA-CYBMUJFWSA-N 1 3 265.401 2.307 20 30 CEEDHO CC[N@@H+](CCCNC(=O)C(C)C#N)C1CCCCC1 ZINC000593787861 345538981 /nfs/dbraw/zinc/53/89/81/345538981.db2.gz VLPNCKBKSPFHBA-CYBMUJFWSA-N 1 3 265.401 2.307 20 30 CEEDHO C[NH+](C)Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594462312 345635962 /nfs/dbraw/zinc/63/59/62/345635962.db2.gz CTIJBPSPZLZRIN-HNNXBMFYSA-N 1 3 288.395 2.098 20 30 CEEDHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595889640 345907276 /nfs/dbraw/zinc/90/72/76/345907276.db2.gz AQWYQRFXEHZOIQ-CJNGLKHVSA-N 1 3 257.381 2.160 20 30 CEEDHO C[C@@H](CCNC[C@@H](O)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000598723120 346408962 /nfs/dbraw/zinc/40/89/62/346408962.db2.gz FEVMTKMFHAZRGN-GJZGRUSLSA-N 1 3 281.444 2.141 20 30 CEEDHO C[C@@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)N1CCCCC1 ZINC000598723120 346408965 /nfs/dbraw/zinc/40/89/65/346408965.db2.gz FEVMTKMFHAZRGN-GJZGRUSLSA-N 1 3 281.444 2.141 20 30 CEEDHO C=CC[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000625704453 350551301 /nfs/dbraw/zinc/55/13/01/350551301.db2.gz XXLYOFXFVBGVND-KRWDZBQOSA-N 1 3 279.472 2.301 20 30 CEEDHO C=CC[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000625704453 350551306 /nfs/dbraw/zinc/55/13/06/350551306.db2.gz XXLYOFXFVBGVND-KRWDZBQOSA-N 1 3 279.472 2.301 20 30 CEEDHO C[NH2+]CCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000070188987 363051176 /nfs/dbraw/zinc/05/11/76/363051176.db2.gz CTDQQAANHHTYTH-UHFFFAOYSA-N 1 3 257.381 2.380 20 30 CEEDHO N#Cc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130567359 283143522 /nfs/dbraw/zinc/14/35/22/283143522.db2.gz LUWODUSFCORUMP-XHSDSOJGSA-N 1 3 255.365 2.117 20 30 CEEDHO C=CCCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000117881239 365130394 /nfs/dbraw/zinc/13/03/94/365130394.db2.gz NYXSLOAFTOFCJH-MRXNPFEDSA-N 1 3 265.445 2.055 20 30 CEEDHO C=CCCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000117881239 365130398 /nfs/dbraw/zinc/13/03/98/365130398.db2.gz NYXSLOAFTOFCJH-MRXNPFEDSA-N 1 3 265.445 2.055 20 30 CEEDHO C=C(C)CC[N@H+](CCC)CCN1CCN(CC)CC1 ZINC000344129408 368110584 /nfs/dbraw/zinc/11/05/84/368110584.db2.gz LYJAYOSFMPGUTC-UHFFFAOYSA-N 1 3 267.461 2.302 20 30 CEEDHO C=C(C)CC[N@@H+](CCC)CCN1CCN(CC)CC1 ZINC000344129408 368110588 /nfs/dbraw/zinc/11/05/88/368110588.db2.gz LYJAYOSFMPGUTC-UHFFFAOYSA-N 1 3 267.461 2.302 20 30 CEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000192880658 369866640 /nfs/dbraw/zinc/86/66/40/369866640.db2.gz VRMQKLQORGXLLR-VYDXJSESSA-N 1 3 291.439 2.159 20 30 CEEDHO COc1cc(C[N@H+](C)CC2CCN(C)CC2)ccc1C#N ZINC000234921025 370549999 /nfs/dbraw/zinc/54/99/99/370549999.db2.gz IMSHWDFWGXPIHI-UHFFFAOYSA-N 1 3 287.407 2.340 20 30 CEEDHO COc1cc(C[N@@H+](C)CC2CCN(C)CC2)ccc1C#N ZINC000234921025 370550002 /nfs/dbraw/zinc/55/00/02/370550002.db2.gz IMSHWDFWGXPIHI-UHFFFAOYSA-N 1 3 287.407 2.340 20 30 CEEDHO COc1cc(CN(C)CC2CC[NH+](C)CC2)ccc1C#N ZINC000234921025 370550007 /nfs/dbraw/zinc/55/00/07/370550007.db2.gz IMSHWDFWGXPIHI-UHFFFAOYSA-N 1 3 287.407 2.340 20 30 CEEDHO CCN1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000246819364 371015221 /nfs/dbraw/zinc/01/52/21/371015221.db2.gz CDNWDNHRAKJPEI-XJKSGUPXSA-N 1 3 257.381 2.378 20 30 CEEDHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429895 220077593 /nfs/dbraw/zinc/07/75/93/220077593.db2.gz VDIMEIAZVUVNKF-YOEHRIQHSA-N 1 3 269.392 2.477 20 30 CEEDHO CCN1CCC([N@@H+]2CCCN([C@H](C)CCC#N)CC2)CC1 ZINC000420972034 376751077 /nfs/dbraw/zinc/75/10/77/376751077.db2.gz AKSOLWOMAPGWHU-MRXNPFEDSA-N 1 3 292.471 2.171 20 30 CEEDHO CCN1CCC([N@H+]2CCCN([C@H](C)CCC#N)CC2)CC1 ZINC000420972034 376751083 /nfs/dbraw/zinc/75/10/83/376751083.db2.gz AKSOLWOMAPGWHU-MRXNPFEDSA-N 1 3 292.471 2.171 20 30 CEEDHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423348596 394895896 /nfs/dbraw/zinc/89/58/96/394895896.db2.gz UJJFFYXNDYGVRK-NSHDSACASA-N 1 3 259.328 2.268 20 30 CEEDHO C=C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000289647488 395082756 /nfs/dbraw/zinc/08/27/56/395082756.db2.gz GBCCAITUKPVGTN-XLAORIBOSA-N 1 3 286.419 2.319 20 30 CEEDHO C=CCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346859473 395110424 /nfs/dbraw/zinc/11/04/24/395110424.db2.gz SDVYOSFTACMICH-UAGQMJEPSA-N 1 3 272.392 2.421 20 30 CEEDHO CC[NH+]=C(NCc1ccoc1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000179200785 395183351 /nfs/dbraw/zinc/18/33/51/395183351.db2.gz AQFAJDABGNOFSU-ZFWWWQNUSA-N 1 3 292.427 2.063 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000648744956 395973233 /nfs/dbraw/zinc/97/32/33/395973233.db2.gz SMXSCUZWVVTHIZ-SJORKVTESA-N 1 3 290.407 2.060 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCOc1ccccc1C#N)C2 ZINC000375787126 157145725 /nfs/dbraw/zinc/14/57/25/157145725.db2.gz GAIUGDKDENPVKP-SJPCQFCGSA-N 1 3 299.418 2.494 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCOc1ccccc1C#N)C2 ZINC000375787126 157145726 /nfs/dbraw/zinc/14/57/26/157145726.db2.gz GAIUGDKDENPVKP-SJPCQFCGSA-N 1 3 299.418 2.494 20 30 CEEDHO C=CCOCCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665262970 415656121 /nfs/dbraw/zinc/65/61/21/415656121.db2.gz CXLGVQMHWDOGQJ-LSDHHAIUSA-N 1 3 254.418 2.480 20 30 CEEDHO C=CC[C@@]1(C(=O)NCCN2CCCC[C@H]2CC)CCC[NH2+]1 ZINC000662735371 415948586 /nfs/dbraw/zinc/94/85/86/415948586.db2.gz NBTYQYRKVFEHJF-WBVHZDCISA-N 1 3 293.455 2.065 20 30 CEEDHO C[C@H](CCNC(=[NH2+])N(C)C1CC1)N(C)Cc1ccccc1 ZINC000273353538 263016075 /nfs/dbraw/zinc/01/60/75/263016075.db2.gz QXOQQDAEOMLBBW-CQSZACIVSA-N 1 3 288.439 2.306 20 30 CEEDHO C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N(C)C1CC1 ZINC000288731339 263105748 /nfs/dbraw/zinc/10/57/48/263105748.db2.gz NRZPMBGATIYCPA-SECBINFHSA-N 1 3 282.338 2.174 20 30 CEEDHO C=C(CNC(=[NH2+])NC[C@H]1CCCN1CC)c1ccccc1 ZINC000287308635 328250667 /nfs/dbraw/zinc/25/06/67/328250667.db2.gz UFMNBDTYDQRMQJ-MRXNPFEDSA-N 1 3 286.423 2.088 20 30 CEEDHO CC[C@H](C)N(C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288752486 328253462 /nfs/dbraw/zinc/25/34/62/328253462.db2.gz RDEBJIXKDXHFND-JTQLQIEISA-N 1 3 284.354 2.422 20 30 CEEDHO C=CCN1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184234845 328527178 /nfs/dbraw/zinc/52/71/78/328527178.db2.gz VVACJDDAOUNCOM-UHFFFAOYSA-N 1 3 293.455 2.052 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422834971 330156984 /nfs/dbraw/zinc/15/69/84/330156984.db2.gz ONLSNHHNKXBBJF-IXDOHACOSA-N 1 3 279.472 2.415 20 30 CEEDHO C=CCC[C@H]([NH2+]CCCN1CCCN(C)CC1)C1CC1 ZINC000121016555 330394954 /nfs/dbraw/zinc/39/49/54/330394954.db2.gz DWLZERABYKJACP-KRWDZBQOSA-N 1 3 279.472 2.348 20 30 CEEDHO CC(C)CNC(=[NH2+])NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000195291033 331166704 /nfs/dbraw/zinc/16/67/04/331166704.db2.gz MZPNEPMIMQKWGV-MRXNPFEDSA-N 1 3 288.439 2.069 20 30 CEEDHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000742207429 574841649 /nfs/dbraw/zinc/84/16/49/574841649.db2.gz XYDYIBXLYPQMJL-CZUORRHYSA-N 1 3 287.407 2.387 20 30 CEEDHO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000742206513 575010506 /nfs/dbraw/zinc/01/05/06/575010506.db2.gz HPUKYVLFXDLNET-XJKSGUPXSA-N 1 3 257.381 2.378 20 30 CEEDHO C#CCOc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000817965685 633808843 /nfs/dbraw/zinc/80/88/43/633808843.db2.gz ZDXFHZAGWXMCAC-ZDUSSCGKSA-N 1 3 258.365 2.231 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000876509114 650295425 /nfs/dbraw/zinc/29/54/25/650295425.db2.gz HZIXXHPTMOAOEC-CYBMUJFWSA-N 1 3 281.787 2.205 20 30 CEEDHO C#CC1CCN(CC[C@@H](C)[NH+]2CCC(C#C)CC2)CC1 ZINC000830343044 637041955 /nfs/dbraw/zinc/04/19/55/637041955.db2.gz KIXVGXOBWVKCOQ-MRXNPFEDSA-N 1 3 272.436 2.455 20 30 CEEDHO C#CC1CCN([C@H](C)CC[NH+]2CCC(C#C)CC2)CC1 ZINC000830343044 637041959 /nfs/dbraw/zinc/04/19/59/637041959.db2.gz KIXVGXOBWVKCOQ-MRXNPFEDSA-N 1 3 272.436 2.455 20 30 CEEDHO C#CCCCCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879001144 651226493 /nfs/dbraw/zinc/22/64/93/651226493.db2.gz QTGFGPYCHWDMII-MRXNPFEDSA-N 1 3 266.429 2.223 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000876743246 650416032 /nfs/dbraw/zinc/41/60/32/650416032.db2.gz ACRFJNRMWCBUGJ-CQSZACIVSA-N 1 3 295.814 2.199 20 30 CEEDHO CN(CCC#N)c1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000072726284 641963631 /nfs/dbraw/zinc/96/36/31/641963631.db2.gz HTALEUKVNVDKLW-UHFFFAOYSA-N 1 3 286.423 2.220 20 30 CEEDHO C[C@@H]1CC[C@H](CN)[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000923424987 643704329 /nfs/dbraw/zinc/70/43/29/643704329.db2.gz VVBBCPKSSVDXIA-GFOFROLCSA-N 1 3 287.407 2.039 20 30 CEEDHO C[C@@H]1CC[C@H](CN)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000923424987 643704334 /nfs/dbraw/zinc/70/43/34/643704334.db2.gz VVBBCPKSSVDXIA-GFOFROLCSA-N 1 3 287.407 2.039 20 30 CEEDHO C[C@H]1CCC[C@](CNC(=[NH2+])NC2CCCC2)(N(C)C)C1 ZINC000203056285 646460556 /nfs/dbraw/zinc/46/05/56/646460556.db2.gz DLJTYPAOGFCBHV-BBRMVZONSA-N 1 3 280.460 2.344 20 30 CEEDHO Cc1cc(NN=Cc2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000863158615 646657297 /nfs/dbraw/zinc/65/72/97/646657297.db2.gz JAQCEZBEVKEERK-UHFFFAOYSA-N 1 3 298.390 2.198 20 30 CEEDHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccccc2C#N)CC1 ZINC000873239413 649605625 /nfs/dbraw/zinc/60/56/25/649605625.db2.gz VOQIOAZSHMQSNM-WMLDXEAASA-N 1 3 298.434 2.115 20 30 CEEDHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccccc2C#N)CC1 ZINC000873239414 649605690 /nfs/dbraw/zinc/60/56/90/649605690.db2.gz VOQIOAZSHMQSNM-YOEHRIQHSA-N 1 3 298.434 2.115 20 30 CEEDHO C=CCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621690 806570418 /nfs/dbraw/zinc/57/04/18/806570418.db2.gz OOXCRPPXONTQCX-PMPSAXMXSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621690 806570423 /nfs/dbraw/zinc/57/04/23/806570423.db2.gz OOXCRPPXONTQCX-PMPSAXMXSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CC[NH2+][C@H](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001267154768 803170467 /nfs/dbraw/zinc/17/04/67/803170467.db2.gz JYKZUZWJHVDUTE-CQSZACIVSA-N 1 3 289.423 2.032 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001121913865 815366470 /nfs/dbraw/zinc/36/64/70/815366470.db2.gz LXWDHLAAFSMKQD-CABCVRRESA-N 1 3 295.471 2.297 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001121913865 815366474 /nfs/dbraw/zinc/36/64/74/815366474.db2.gz LXWDHLAAFSMKQD-CABCVRRESA-N 1 3 295.471 2.297 20 30 CEEDHO CC[NH+]1C[C@@H]2CN([C@@H](C)Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001172313054 815367061 /nfs/dbraw/zinc/36/70/61/815367061.db2.gz OHNDIOLUVQOKLZ-BMGDILEWSA-N 1 3 283.419 2.373 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001122116110 815385440 /nfs/dbraw/zinc/38/54/40/815385440.db2.gz QBKOILRBMGUFNV-HRCADAONSA-N 1 3 295.471 2.417 20 30 CEEDHO C=CCN1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132508034 812873067 /nfs/dbraw/zinc/87/30/67/812873067.db2.gz BPKFLUHAGVGVPY-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772903 813323667 /nfs/dbraw/zinc/32/36/67/813323667.db2.gz IYWFVKNPIPLTLY-UONOGXRCSA-N 1 3 283.460 2.166 20 30 CEEDHO C#Cc1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001144578557 814114097 /nfs/dbraw/zinc/11/40/97/814114097.db2.gz HHXQSYRKXRNQLB-UHFFFAOYSA-N 1 3 254.377 2.196 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)CN(CC)CC)CCCCC1 ZINC001115778840 814755001 /nfs/dbraw/zinc/75/50/01/814755001.db2.gz UZDGXLHZJSLFJQ-UHFFFAOYSA-N 1 3 295.471 2.313 20 30 CEEDHO CN1CC2(C1)CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173597046 815757053 /nfs/dbraw/zinc/75/70/53/815757053.db2.gz FIHVQLMSLNZVEX-UHFFFAOYSA-N 1 3 261.413 2.486 20 30 CEEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161226574 816815835 /nfs/dbraw/zinc/81/58/35/816815835.db2.gz JLPYVACQAWZLOI-AWEZNQCLSA-N 1 3 283.460 2.167 20 30 CEEDHO C[NH+](C)CC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042393539 362091529 /nfs/dbraw/zinc/09/15/29/362091529.db2.gz AICMSDXZIAHSRD-UHFFFAOYSA-N 1 3 257.381 2.332 20 30 CEEDHO CC[N@@H+]1CCC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525054 347066269 /nfs/dbraw/zinc/06/62/69/347066269.db2.gz QCEPFMNLCPQKJN-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO CC[N@H+]1CCC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525054 347066270 /nfs/dbraw/zinc/06/62/70/347066270.db2.gz QCEPFMNLCPQKJN-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@@H]1CCCN(Cc2ccncc2C#N)[C@@H]1CCC[NH3+] ZINC000595908188 345911530 /nfs/dbraw/zinc/91/15/30/345911530.db2.gz GBKQLDSMDCMZNM-CZUORRHYSA-N 1 3 272.396 2.293 20 30 CEEDHO CC(C)(C#N)C[C@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000598704526 346404475 /nfs/dbraw/zinc/40/44/75/346404475.db2.gz QXDKKJXWXMOLOJ-ZDUSSCGKSA-N 1 3 281.444 2.186 20 30 CEEDHO CC(C)(C#N)C[C@H](O)C[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000598704526 346404476 /nfs/dbraw/zinc/40/44/76/346404476.db2.gz QXDKKJXWXMOLOJ-ZDUSSCGKSA-N 1 3 281.444 2.186 20 30 CEEDHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654469 347125890 /nfs/dbraw/zinc/12/58/90/347125890.db2.gz BVONIFKKQIWWBC-HOTGVXAUSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654469 347125892 /nfs/dbraw/zinc/12/58/92/347125892.db2.gz BVONIFKKQIWWBC-HOTGVXAUSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654469 347125893 /nfs/dbraw/zinc/12/58/93/347125893.db2.gz BVONIFKKQIWWBC-HOTGVXAUSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C#N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000337633822 366166746 /nfs/dbraw/zinc/16/67/46/366166746.db2.gz XDLCYPNMOLBYCV-AWEZNQCLSA-N 1 3 277.412 2.261 20 30 CEEDHO C=C(C)CN1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007797 363434322 /nfs/dbraw/zinc/43/43/22/363434322.db2.gz ZXOXZQVWPMTQPM-UHFFFAOYSA-N 1 3 254.418 2.385 20 30 CEEDHO CN(C)CC(C)(C)C[NH2+]Cc1cc(C#N)cs1 ZINC000093492021 364192317 /nfs/dbraw/zinc/19/23/17/364192317.db2.gz TUPLFIJHARTTKZ-UHFFFAOYSA-N 1 3 251.399 2.297 20 30 CEEDHO CC(C)[C@H](CNC(=O)C(C)C#N)[NH+]1CCC(C)CC1 ZINC000345859029 368456913 /nfs/dbraw/zinc/45/69/13/368456913.db2.gz ZLSPVWAVZPKFRC-KBPBESRZSA-N 1 3 265.401 2.019 20 30 CEEDHO C=CCOc1cccc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000346690734 368773258 /nfs/dbraw/zinc/77/32/58/368773258.db2.gz UQUBAHPXYQPMSJ-ZFWWWQNUSA-N 1 3 260.381 2.421 20 30 CEEDHO C=CCC[C@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000351412174 369634872 /nfs/dbraw/zinc/63/48/72/369634872.db2.gz LPOCJMUKIDBRFS-ZNMIVQPWSA-N 1 3 254.418 2.118 20 30 CEEDHO C=CCC[C@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000351412174 369634874 /nfs/dbraw/zinc/63/48/74/369634874.db2.gz LPOCJMUKIDBRFS-ZNMIVQPWSA-N 1 3 254.418 2.118 20 30 CEEDHO C=C(C)CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000192839446 369860296 /nfs/dbraw/zinc/86/02/96/369860296.db2.gz NQXIIIPYCQXNMN-ALOPSCKCSA-N 1 3 277.456 2.242 20 30 CEEDHO COc1ccc(NC(=[NH2+])NCCN2CCC[C@H](C)C2)cc1 ZINC000264076267 371962484 /nfs/dbraw/zinc/96/24/84/371962484.db2.gz FRLJDGGNUGSMIF-ZDUSSCGKSA-N 1 3 290.411 2.154 20 30 CEEDHO C#CCCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000269845711 372577411 /nfs/dbraw/zinc/57/74/11/372577411.db2.gz FUGUSYRTSCKTGY-QGZVFWFLSA-N 1 3 256.393 2.464 20 30 CEEDHO C#CCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000269845711 372577415 /nfs/dbraw/zinc/57/74/15/372577415.db2.gz FUGUSYRTSCKTGY-QGZVFWFLSA-N 1 3 256.393 2.464 20 30 CEEDHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399020100 375354354 /nfs/dbraw/zinc/35/43/54/375354354.db2.gz DSDPURPWPGVSAR-BBRMVZONSA-N 1 3 257.381 2.182 20 30 CEEDHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399020100 375354356 /nfs/dbraw/zinc/35/43/56/375354356.db2.gz DSDPURPWPGVSAR-BBRMVZONSA-N 1 3 257.381 2.182 20 30 CEEDHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423243071 377162266 /nfs/dbraw/zinc/16/22/66/377162266.db2.gz GDIWBXDEBYCULR-NEPJUHHUSA-N 1 3 261.344 2.348 20 30 CEEDHO CN1CCN(CC[NH2+]C2CCC(C)(C#N)CC2)CC1(C)C ZINC000449300191 378200424 /nfs/dbraw/zinc/20/04/24/378200424.db2.gz DFAKKWILGRDXGR-UHFFFAOYSA-N 1 3 292.471 2.074 20 30 CEEDHO C=CCC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000305065218 379618160 /nfs/dbraw/zinc/61/81/60/379618160.db2.gz HOZQVSATIRBTMW-LSDHHAIUSA-N 1 3 254.418 2.120 20 30 CEEDHO C=CCC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000305065218 379618168 /nfs/dbraw/zinc/61/81/68/379618168.db2.gz HOZQVSATIRBTMW-LSDHHAIUSA-N 1 3 254.418 2.120 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000339097238 394942763 /nfs/dbraw/zinc/94/27/63/394942763.db2.gz XDSKYPYBZBHPGY-NXOAAHMSSA-N 1 3 293.455 2.405 20 30 CEEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000339097238 394942766 /nfs/dbraw/zinc/94/27/66/394942766.db2.gz XDSKYPYBZBHPGY-NXOAAHMSSA-N 1 3 293.455 2.405 20 30 CEEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCN2CCN(C)CC2)C1 ZINC000651676846 401370034 /nfs/dbraw/zinc/37/00/34/401370034.db2.gz PRQQADMZTSLODS-IAGOWNOFSA-N 1 3 279.472 2.348 20 30 CEEDHO C=CC[C@H]1CC[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000651794293 401392857 /nfs/dbraw/zinc/39/28/57/401392857.db2.gz PZDUBDUDFZYTCD-JKSUJKDBSA-N 1 3 279.472 2.347 20 30 CEEDHO C[NH+]=C(NCc1cccs1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158456327 261165013 /nfs/dbraw/zinc/16/50/13/261165013.db2.gz CSAMTBNRYZHZLH-OCCSQVGLSA-N 1 3 294.468 2.142 20 30 CEEDHO C=C(C)COCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000163589303 264357687 /nfs/dbraw/zinc/35/76/87/264357687.db2.gz OYMBSYWJEGATBT-CABCVRRESA-N 1 3 254.418 2.480 20 30 CEEDHO CC[NH+](CC)CCOCCNCc1ccc(C#N)c(C)c1 ZINC000444004380 267058485 /nfs/dbraw/zinc/05/84/85/267058485.db2.gz XNEPGNNGJZIHQN-UHFFFAOYSA-N 1 3 289.423 2.315 20 30 CEEDHO C[N@H+]1CCC[C@@H](CCNCc2cc(C#N)cs2)C1 ZINC000459729336 267336592 /nfs/dbraw/zinc/33/65/92/267336592.db2.gz JBCSHRWRAWOWGV-LBPRGKRZSA-N 1 3 263.410 2.441 20 30 CEEDHO C[N@@H+]1CCC[C@@H](CCNCc2cc(C#N)cs2)C1 ZINC000459729336 267336590 /nfs/dbraw/zinc/33/65/90/267336590.db2.gz JBCSHRWRAWOWGV-LBPRGKRZSA-N 1 3 263.410 2.441 20 30 CEEDHO C=CCOc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414801742 328231726 /nfs/dbraw/zinc/23/17/26/328231726.db2.gz UQWITRUCOZITHE-HOCLYGCPSA-N 1 3 260.381 2.468 20 30 CEEDHO C[C@H]1C[NH+]=C(NCC2(N3CCCCC3)CCCCC2)N1 ZINC000262686186 330027191 /nfs/dbraw/zinc/02/71/91/330027191.db2.gz YKMJJWBHCATMDT-AWEZNQCLSA-N 1 3 278.444 2.113 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H](C)[C@H]2CCCCN2)CC1 ZINC000422981371 330162462 /nfs/dbraw/zinc/16/24/62/330162462.db2.gz SLMWZEFNJIXNFP-GDBMZVCRSA-N 1 3 265.445 2.147 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423095694 330169787 /nfs/dbraw/zinc/16/97/87/330169787.db2.gz MZVZKZRFTBQEEB-BARDWOONSA-N 1 3 252.402 2.088 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423095886 330169818 /nfs/dbraw/zinc/16/98/18/330169818.db2.gz NJOQFXPOYIWXSI-TUVASFSCSA-N 1 3 252.402 2.075 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423152246 330173214 /nfs/dbraw/zinc/17/32/14/330173214.db2.gz LJQCXJZADNXHKO-FPCVCCKLSA-N 1 3 258.365 2.454 20 30 CEEDHO C=CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)C1CC1 ZINC000120144218 330385798 /nfs/dbraw/zinc/38/57/98/330385798.db2.gz OMKRZGITYGQQBY-KRWDZBQOSA-N 1 3 279.472 2.348 20 30 CEEDHO N#CCCNCC1CC[NH+](Cc2cccs2)CC1 ZINC000581809834 336146681 /nfs/dbraw/zinc/14/66/81/336146681.db2.gz SXVMXMXXOYUHNE-UHFFFAOYSA-N 1 3 263.410 2.463 20 30 CEEDHO C=C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000353563687 527591974 /nfs/dbraw/zinc/59/19/74/527591974.db2.gz GBCCAITUKPVGTN-CSNJMZFVSA-N 1 3 286.419 2.319 20 30 CEEDHO CC(C#N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000736673723 574794478 /nfs/dbraw/zinc/79/44/78/574794478.db2.gz XXEDAJCNHLLZFV-CYBMUJFWSA-N 1 3 277.412 2.307 20 30 CEEDHO COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1C#N ZINC000817914895 633774971 /nfs/dbraw/zinc/77/49/71/633774971.db2.gz BPZIOXRMFNXQQA-CABCVRRESA-N 1 3 273.380 2.316 20 30 CEEDHO C=C(C)C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903218548 635020832 /nfs/dbraw/zinc/02/08/32/635020832.db2.gz DFJOVIXZENCBJI-VMIYWNJYSA-N 1 3 264.413 2.061 20 30 CEEDHO C=C(C)C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903218548 635020835 /nfs/dbraw/zinc/02/08/35/635020835.db2.gz DFJOVIXZENCBJI-VMIYWNJYSA-N 1 3 264.413 2.061 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H](C[NH3+])C1 ZINC000903421401 635123075 /nfs/dbraw/zinc/12/30/75/635123075.db2.gz NVCFPXVNGBAJMJ-AWEZNQCLSA-N 1 3 257.381 2.346 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000876741465 650415496 /nfs/dbraw/zinc/41/54/96/650415496.db2.gz RSXGEOFPAFZFTH-CQSZACIVSA-N 1 3 295.814 2.051 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000876914200 650483464 /nfs/dbraw/zinc/48/34/64/650483464.db2.gz CAVDZMGKMINILA-KGLIPLIRSA-N 1 3 295.814 2.053 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[N@@H+]1CCC[C@H]1C ZINC000877154695 650599721 /nfs/dbraw/zinc/59/97/21/650599721.db2.gz XDWAUEKULUVVJR-LSDHHAIUSA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[N@H+]1CCC[C@H]1C ZINC000877154695 650599723 /nfs/dbraw/zinc/59/97/23/650599723.db2.gz XDWAUEKULUVVJR-LSDHHAIUSA-N 1 3 279.428 2.159 20 30 CEEDHO C#CC[C@H](CO)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000883123787 652369454 /nfs/dbraw/zinc/36/94/54/652369454.db2.gz KWWDMPTVHSALKY-QGZVFWFLSA-N 1 3 288.435 2.118 20 30 CEEDHO C#CC[C@H](CO)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000883123787 652369455 /nfs/dbraw/zinc/36/94/55/652369455.db2.gz KWWDMPTVHSALKY-QGZVFWFLSA-N 1 3 288.435 2.118 20 30 CEEDHO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(C)C ZINC001271261633 805904529 /nfs/dbraw/zinc/90/45/29/805904529.db2.gz OTDXDKYKEAASQB-HZPDHXFCSA-N 1 3 295.471 2.166 20 30 CEEDHO C=CCN(CC[N@H+](CCC)CCCN(C)C)C(=O)OCC ZINC001209024677 802453385 /nfs/dbraw/zinc/45/33/85/802453385.db2.gz WAXLOLSSGPDFSY-UHFFFAOYSA-N 1 3 299.459 2.295 20 30 CEEDHO C=CCN(CC[N@@H+](CCC)CCCN(C)C)C(=O)OCC ZINC001209024677 802453389 /nfs/dbraw/zinc/45/33/89/802453389.db2.gz WAXLOLSSGPDFSY-UHFFFAOYSA-N 1 3 299.459 2.295 20 30 CEEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266547288 802701720 /nfs/dbraw/zinc/70/17/20/802701720.db2.gz ODWJEBUIHNWNOM-HRCADAONSA-N 1 3 295.471 2.118 20 30 CEEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001267898163 803809483 /nfs/dbraw/zinc/80/94/83/803809483.db2.gz RTWUWULAPXIPNV-CVEARBPZSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001268055900 804351175 /nfs/dbraw/zinc/35/11/75/804351175.db2.gz PZQHYTYZBGBNSO-HNNXBMFYSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CC[N@@H+](C)CCC1CCN(C(=O)CN(C)CCC)CC1 ZINC001268201540 804537167 /nfs/dbraw/zinc/53/71/67/804537167.db2.gz RBOILVPDHUKSAB-UHFFFAOYSA-N 1 3 295.471 2.075 20 30 CEEDHO C=CC[N@H+](C)CCC1CCN(C(=O)CN(C)CCC)CC1 ZINC001268201540 804537174 /nfs/dbraw/zinc/53/71/74/804537174.db2.gz RBOILVPDHUKSAB-UHFFFAOYSA-N 1 3 295.471 2.075 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001269416467 805159693 /nfs/dbraw/zinc/15/96/93/805159693.db2.gz URGZBVSGJLJMIR-UHFFFAOYSA-N 1 3 293.455 2.065 20 30 CEEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001270458515 805442121 /nfs/dbraw/zinc/44/21/21/805442121.db2.gz QHEBIAVLHPJLMM-MRXNPFEDSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001034703596 809669756 /nfs/dbraw/zinc/66/97/56/809669756.db2.gz CZHNFLLGHXOQMR-SHTZXODSSA-N 1 3 293.455 2.064 20 30 CEEDHO C[C@H](CCCC#N)N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001172488708 815450898 /nfs/dbraw/zinc/45/08/98/815450898.db2.gz VTXPUXXJQYQPPB-OAHLLOKOSA-N 1 3 286.423 2.500 20 30 CEEDHO C[C@H](CCCC#N)N1CCN(c2cc[nH+]cc2)CC1 ZINC001172493926 815453533 /nfs/dbraw/zinc/45/35/33/815453533.db2.gz PNDQTBCHHSGUAY-CQSZACIVSA-N 1 3 258.369 2.286 20 30 CEEDHO C#CC[N@H+](C)CCCNCc1coc2ccccc12 ZINC000392937565 813309254 /nfs/dbraw/zinc/30/92/54/813309254.db2.gz OKPAWYKNWNPTDL-UHFFFAOYSA-N 1 3 256.349 2.478 20 30 CEEDHO C#CC[N@@H+](C)CCCNCc1coc2ccccc12 ZINC000392937565 813309258 /nfs/dbraw/zinc/30/92/58/813309258.db2.gz OKPAWYKNWNPTDL-UHFFFAOYSA-N 1 3 256.349 2.478 20 30 CEEDHO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691714 813504865 /nfs/dbraw/zinc/50/48/65/813504865.db2.gz YWPYZSOSNOROAJ-CVEARBPZSA-N 1 3 295.471 2.005 20 30 CEEDHO CCN1CC[C@@H](NC(=[NH2+])c2ccc3ccccc3n2)C1 ZINC001173358562 815699557 /nfs/dbraw/zinc/69/95/57/815699557.db2.gz KITNJUWQJDUUPW-CYBMUJFWSA-N 1 3 268.364 2.034 20 30 CEEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001178990428 816824380 /nfs/dbraw/zinc/82/43/80/816824380.db2.gz XJHWLDNFGLBYOP-YHUYYLMFSA-N 1 3 295.471 2.260 20 30 CEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534693 816870167 /nfs/dbraw/zinc/87/01/67/816870167.db2.gz RSJXLRLWLDFTMP-JYJNAYRXSA-N 1 3 293.455 2.016 20 30 CEEDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000337888436 214302831 /nfs/dbraw/zinc/30/28/31/214302831.db2.gz XQMXLTQBSHCYPN-LBPRGKRZSA-N 1 3 263.410 2.441 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000601707150 346883975 /nfs/dbraw/zinc/88/39/75/346883975.db2.gz WJPVJIMEZGAVBC-FMKPAKJESA-N 1 3 285.391 2.030 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000601707150 346883977 /nfs/dbraw/zinc/88/39/77/346883977.db2.gz WJPVJIMEZGAVBC-FMKPAKJESA-N 1 3 285.391 2.030 20 30 CEEDHO N#Cc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594956617 345715985 /nfs/dbraw/zinc/71/59/85/345715985.db2.gz XGCZGDXJTUSLIL-IAGOWNOFSA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594956617 345715989 /nfs/dbraw/zinc/71/59/89/345715989.db2.gz XGCZGDXJTUSLIL-IAGOWNOFSA-N 1 3 269.392 2.317 20 30 CEEDHO C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@H]1CN ZINC000595893517 345908248 /nfs/dbraw/zinc/90/82/48/345908248.db2.gz RXLJFEJPDNJOPO-CZUORRHYSA-N 1 3 257.381 2.017 20 30 CEEDHO C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1CN ZINC000595893517 345908250 /nfs/dbraw/zinc/90/82/50/345908250.db2.gz RXLJFEJPDNJOPO-CZUORRHYSA-N 1 3 257.381 2.017 20 30 CEEDHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC(C)(C)C#N)C[C@@H]1C ZINC000598596891 346381058 /nfs/dbraw/zinc/38/10/58/346381058.db2.gz USPJGNDQXYRQTO-SOUVJXGZSA-N 1 3 281.444 2.092 20 30 CEEDHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC(C)(C)C#N)C[C@@H]1C ZINC000598596891 346381062 /nfs/dbraw/zinc/38/10/62/346381062.db2.gz USPJGNDQXYRQTO-SOUVJXGZSA-N 1 3 281.444 2.092 20 30 CEEDHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1 ZINC000598715368 346406624 /nfs/dbraw/zinc/40/66/24/346406624.db2.gz PIFDGEKGTGFRFZ-MRXNPFEDSA-N 1 3 289.423 2.139 20 30 CEEDHO C=CCOc1ccccc1CN1CCC(C[NH3+])CC1 ZINC000346691870 368772869 /nfs/dbraw/zinc/77/28/69/368772869.db2.gz XUBVFSMHFZVADB-UHFFFAOYSA-N 1 3 260.381 2.422 20 30 CEEDHO CC[C@@H](C)NC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000264090607 371967734 /nfs/dbraw/zinc/96/77/34/371967734.db2.gz KVQYHWCLDKHGRS-CQSZACIVSA-N 1 3 288.439 2.138 20 30 CEEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C#N)cc1F ZINC000269439106 372449457 /nfs/dbraw/zinc/44/94/57/372449457.db2.gz RXGLDSDAPYRSCR-OAHLLOKOSA-N 1 3 293.386 2.144 20 30 CEEDHO COc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000414777528 375963414 /nfs/dbraw/zinc/96/34/14/375963414.db2.gz XXXCKCSJCDCOLA-KRWDZBQOSA-N 1 3 299.418 2.388 20 30 CEEDHO CC(C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309953312 376608962 /nfs/dbraw/zinc/60/89/62/376608962.db2.gz HLOZPNYGGLRYRZ-DJIMGWMZSA-N 1 3 297.402 2.127 20 30 CEEDHO CC(C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309953312 376608968 /nfs/dbraw/zinc/60/89/68/376608968.db2.gz HLOZPNYGGLRYRZ-DJIMGWMZSA-N 1 3 297.402 2.127 20 30 CEEDHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000362236448 394849970 /nfs/dbraw/zinc/84/99/70/394849970.db2.gz FQWXFVMUZRJOGV-HHARLNAUSA-N 1 3 291.439 2.158 20 30 CEEDHO CC(C)[C@H]([NH3+])CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423283261 394889324 /nfs/dbraw/zinc/88/93/24/394889324.db2.gz WTTBSRUGSXAHBH-QGZVFWFLSA-N 1 3 286.423 2.100 20 30 CEEDHO C[N@@H+]1CC[C@]2(CCN(CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498951 394946655 /nfs/dbraw/zinc/94/66/55/394946655.db2.gz VHKRATWYXUMZAV-KRWDZBQOSA-N 1 3 291.439 2.115 20 30 CEEDHO C[N@H+]1CC[C@]2(CCN(CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498951 394946660 /nfs/dbraw/zinc/94/66/60/394946660.db2.gz VHKRATWYXUMZAV-KRWDZBQOSA-N 1 3 291.439 2.115 20 30 CEEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCC(C)(C)C#N ZINC000374421771 395081844 /nfs/dbraw/zinc/08/18/44/395081844.db2.gz PLGOLLANCHKGLF-BZUAXINKSA-N 1 3 293.455 2.500 20 30 CEEDHO C#Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290630674 395111067 /nfs/dbraw/zinc/11/10/67/395111067.db2.gz XWZSKQGAWHBFQU-PBHICJAKSA-N 1 3 256.393 2.440 20 30 CEEDHO C#Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290630674 395111069 /nfs/dbraw/zinc/11/10/69/395111069.db2.gz XWZSKQGAWHBFQU-PBHICJAKSA-N 1 3 256.393 2.440 20 30 CEEDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000440619155 395336000 /nfs/dbraw/zinc/33/60/00/395336000.db2.gz WZMZKAYFJPKLKK-HNNXBMFYSA-N 1 3 287.407 2.388 20 30 CEEDHO C=CCCC[C@H](C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154134 415663424 /nfs/dbraw/zinc/66/34/24/415663424.db2.gz WOABWIDMWRYUFO-GOEBONIOSA-N 1 3 266.429 2.262 20 30 CEEDHO C=CCCC[C@H](C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154134 415663427 /nfs/dbraw/zinc/66/34/27/415663427.db2.gz WOABWIDMWRYUFO-GOEBONIOSA-N 1 3 266.429 2.262 20 30 CEEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(C)(C)CCC#N ZINC000374253228 260251845 /nfs/dbraw/zinc/25/18/45/260251845.db2.gz GIVBZVFQMXNPSI-PMPSAXMXSA-N 1 3 293.455 2.500 20 30 CEEDHO C#Cc1ccc(CNC[C@@H](CC[NH+](C)C)OCC)cc1 ZINC000290413548 263116452 /nfs/dbraw/zinc/11/64/52/263116452.db2.gz QGVGBMVAFIXNGP-QGZVFWFLSA-N 1 3 274.408 2.114 20 30 CEEDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC1(CC#N)CC1 ZINC000366761855 263390328 /nfs/dbraw/zinc/39/03/28/263390328.db2.gz VXQBCXUBQLJULI-BZUAXINKSA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCC1(CC#N)CC1 ZINC000366761855 263390329 /nfs/dbraw/zinc/39/03/29/263390329.db2.gz VXQBCXUBQLJULI-BZUAXINKSA-N 1 3 291.439 2.159 20 30 CEEDHO C=CCOc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000572363941 330004667 /nfs/dbraw/zinc/00/46/67/330004667.db2.gz MKUMBFKUKALKRG-CHWSQXEVSA-N 1 3 278.396 2.475 20 30 CEEDHO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@H](N2CCCCC2)C1 ZINC000262460720 330014577 /nfs/dbraw/zinc/01/45/77/330014577.db2.gz MIECECPCAPTGMT-JYJNAYRXSA-N 1 3 292.471 2.168 20 30 CEEDHO C#CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000491711290 332302747 /nfs/dbraw/zinc/30/27/47/332302747.db2.gz WBIQNJFSGZFVTJ-CQSZACIVSA-N 1 3 262.422 2.443 20 30 CEEDHO C#CC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000491711290 332302748 /nfs/dbraw/zinc/30/27/48/332302748.db2.gz WBIQNJFSGZFVTJ-CQSZACIVSA-N 1 3 262.422 2.443 20 30 CEEDHO CCCC[N@H+](C)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000347094185 528336653 /nfs/dbraw/zinc/33/66/53/528336653.db2.gz VVWYCJPKHVJJHL-CYBMUJFWSA-N 1 3 265.401 2.117 20 30 CEEDHO CCCC[N@@H+](C)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000347094185 528336656 /nfs/dbraw/zinc/33/66/56/528336656.db2.gz VVWYCJPKHVJJHL-CYBMUJFWSA-N 1 3 265.401 2.117 20 30 CEEDHO C=CC[NH+]1CCC(NCc2ccccc2NC)CC1 ZINC000902213456 634516777 /nfs/dbraw/zinc/51/67/77/634516777.db2.gz NUXKOLKWIWVMQG-UHFFFAOYSA-N 1 3 259.397 2.468 20 30 CEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(C)C ZINC000187849790 628279632 /nfs/dbraw/zinc/27/96/32/628279632.db2.gz QMCIUUXUZRJIGK-CYBMUJFWSA-N 1 3 268.449 2.057 20 30 CEEDHO C#CCOc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000817965682 633809162 /nfs/dbraw/zinc/80/91/62/633809162.db2.gz ZDXFHZAGWXMCAC-CYBMUJFWSA-N 1 3 258.365 2.231 20 30 CEEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819134761 634079162 /nfs/dbraw/zinc/07/91/62/634079162.db2.gz MTWXSEKSSHLJOC-BBWFWOEESA-N 1 3 287.407 2.054 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000911682434 638353918 /nfs/dbraw/zinc/35/39/18/638353918.db2.gz NBPONMYQHPUKII-OAHLLOKOSA-N 1 3 275.396 2.418 20 30 CEEDHO C=CCCC[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911848772 638444106 /nfs/dbraw/zinc/44/41/06/638444106.db2.gz WXTNHNKLCBJOEY-FZMZJTMJSA-N 1 3 261.369 2.328 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911857185 638445676 /nfs/dbraw/zinc/44/56/76/638445676.db2.gz UKBPUCDQJGHKDT-WFASDCNBSA-N 1 3 275.396 2.006 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000857077474 644811893 /nfs/dbraw/zinc/81/18/93/644811893.db2.gz LAXDCYZFKSYRGB-QGZVFWFLSA-N 1 3 299.418 2.029 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000857077474 644811898 /nfs/dbraw/zinc/81/18/98/644811898.db2.gz LAXDCYZFKSYRGB-QGZVFWFLSA-N 1 3 299.418 2.029 20 30 CEEDHO C#CCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000878191177 651031458 /nfs/dbraw/zinc/03/14/58/651031458.db2.gz NRRFWOJESFQGIA-UHFFFAOYSA-N 1 3 257.381 2.397 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001088327306 806119281 /nfs/dbraw/zinc/11/92/81/806119281.db2.gz KDDIBBZZYHYFMT-OAHLLOKOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001267318062 803361982 /nfs/dbraw/zinc/36/19/82/803361982.db2.gz RCOZAZGWSHOQBU-MRXNPFEDSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001267318062 803361988 /nfs/dbraw/zinc/36/19/88/803361988.db2.gz RCOZAZGWSHOQBU-MRXNPFEDSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCC1 ZINC001273166740 810077588 /nfs/dbraw/zinc/07/75/88/810077588.db2.gz UAVFTLCHVWFIJH-HNNXBMFYSA-N 1 3 293.455 2.064 20 30 CEEDHO CCCCCCC[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763527 810134505 /nfs/dbraw/zinc/13/45/05/810134505.db2.gz PDQCBFCSWBRUMT-UHFFFAOYSA-N 1 3 285.476 2.395 20 30 CEEDHO C#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169099586 811369748 /nfs/dbraw/zinc/36/97/48/811369748.db2.gz CCTNPVWVJISLQX-BJWYYQGGSA-N 1 3 254.377 2.383 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712364 812450428 /nfs/dbraw/zinc/45/04/28/812450428.db2.gz HLXAJLJQAZVVSE-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712364 812450431 /nfs/dbraw/zinc/45/04/31/812450431.db2.gz HLXAJLJQAZVVSE-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)C(C)(C)N(C)CC ZINC001130427951 812566388 /nfs/dbraw/zinc/56/63/88/812566388.db2.gz WIDICKBKHAUSLY-UHFFFAOYSA-N 1 3 285.476 2.393 20 30 CEEDHO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772902 813322555 /nfs/dbraw/zinc/32/25/55/813322555.db2.gz IYWFVKNPIPLTLY-KGLIPLIRSA-N 1 3 283.460 2.166 20 30 CEEDHO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691715 813504932 /nfs/dbraw/zinc/50/49/32/813504932.db2.gz YWPYZSOSNOROAJ-HOTGVXAUSA-N 1 3 295.471 2.005 20 30 CEEDHO CCCCCCC[C@@H](C)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644772 814242368 /nfs/dbraw/zinc/24/23/68/814242368.db2.gz JBXHAECTNQCQES-OAGGEKHMSA-N 1 3 268.445 2.249 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1 ZINC001115601850 814726971 /nfs/dbraw/zinc/72/69/71/814726971.db2.gz VMQOWHIZBDWDJK-UHFFFAOYSA-N 1 3 295.471 2.311 20 30 CEEDHO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037649376 361917756 /nfs/dbraw/zinc/91/77/56/361917756.db2.gz TWMSXEBVMUOPTP-HNNXBMFYSA-N 1 3 255.365 2.132 20 30 CEEDHO C[C@@H]1C[C@H](C)N(CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595891118 345907818 /nfs/dbraw/zinc/90/78/18/345907818.db2.gz ALTMNOVBUFPBQG-KEYYUXOJSA-N 1 3 271.408 2.406 20 30 CEEDHO C[C@@H]1C[C@H](C)[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1CN ZINC000595891118 345907820 /nfs/dbraw/zinc/90/78/20/345907820.db2.gz ALTMNOVBUFPBQG-KEYYUXOJSA-N 1 3 271.408 2.406 20 30 CEEDHO C[C@@H]1C[C@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1CN ZINC000595891118 345907824 /nfs/dbraw/zinc/90/78/24/345907824.db2.gz ALTMNOVBUFPBQG-KEYYUXOJSA-N 1 3 271.408 2.406 20 30 CEEDHO CC[NH+](CC)CCCN[C@H](C)CC1(C#N)CCOCC1 ZINC000602588945 347090759 /nfs/dbraw/zinc/09/07/59/347090759.db2.gz VWBMVOKPNCPBMH-OAHLLOKOSA-N 1 3 281.444 2.407 20 30 CEEDHO CCN(CC)CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602588945 347090761 /nfs/dbraw/zinc/09/07/61/347090761.db2.gz VWBMVOKPNCPBMH-OAHLLOKOSA-N 1 3 281.444 2.407 20 30 CEEDHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC(C)(C)C#N)C[C@H]1C ZINC000598596884 346381322 /nfs/dbraw/zinc/38/13/22/346381322.db2.gz USPJGNDQXYRQTO-QLFBSQMISA-N 1 3 281.444 2.092 20 30 CEEDHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC(C)(C)C#N)C[C@H]1C ZINC000598596884 346381325 /nfs/dbraw/zinc/38/13/25/346381325.db2.gz USPJGNDQXYRQTO-QLFBSQMISA-N 1 3 281.444 2.092 20 30 CEEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598699645 346403288 /nfs/dbraw/zinc/40/32/88/346403288.db2.gz HFRCMRSJYISLJP-OAGGEKHMSA-N 1 3 295.471 2.245 20 30 CEEDHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598699645 346403290 /nfs/dbraw/zinc/40/32/90/346403290.db2.gz HFRCMRSJYISLJP-OAGGEKHMSA-N 1 3 295.471 2.245 20 30 CEEDHO C[NH+](C)C[C@]1(O)CCCN(CCCCC(C)(C)C#N)C1 ZINC000602876136 347234686 /nfs/dbraw/zinc/23/46/86/347234686.db2.gz FCLIYRHQGHVZCE-MRXNPFEDSA-N 1 3 281.444 2.095 20 30 CEEDHO C=CCN1CCC([NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623407836 350010942 /nfs/dbraw/zinc/01/09/42/350010942.db2.gz ZAOGTCXTBYLWEC-OAHLLOKOSA-N 1 3 265.445 2.099 20 30 CEEDHO C=CCc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc(OC)c1O ZINC000414925520 540247749 /nfs/dbraw/zinc/24/77/49/540247749.db2.gz LXNDOSXKDDJKRC-LSDHHAIUSA-N 1 3 290.407 2.489 20 30 CEEDHO N#CCSCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000080629318 363675273 /nfs/dbraw/zinc/67/52/73/363675273.db2.gz GYEAKZCNANLECX-OAHLLOKOSA-N 1 3 281.469 2.441 20 30 CEEDHO N#CCSCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000080629318 363675279 /nfs/dbraw/zinc/67/52/79/363675279.db2.gz GYEAKZCNANLECX-OAHLLOKOSA-N 1 3 281.469 2.441 20 30 CEEDHO N#CCSCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000080629313 363675437 /nfs/dbraw/zinc/67/54/37/363675437.db2.gz GYEAKZCNANLECX-HNNXBMFYSA-N 1 3 281.469 2.441 20 30 CEEDHO N#CCSCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000080629313 363675443 /nfs/dbraw/zinc/67/54/43/363675443.db2.gz GYEAKZCNANLECX-HNNXBMFYSA-N 1 3 281.469 2.441 20 30 CEEDHO CN(C)C(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000246852779 371021379 /nfs/dbraw/zinc/02/13/79/371021379.db2.gz CEZNZLNMMZYBEC-YPMHNXCESA-N 1 3 280.441 2.007 20 30 CEEDHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423243077 377162558 /nfs/dbraw/zinc/16/25/58/377162558.db2.gz GDIWBXDEBYCULR-VXGBXAGGSA-N 1 3 261.344 2.348 20 30 CEEDHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(OCC#N)cc1 ZINC000293753086 377740819 /nfs/dbraw/zinc/74/08/19/377740819.db2.gz ROGQPAJJKOJJOW-UONOGXRCSA-N 1 3 275.396 2.437 20 30 CEEDHO N#C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000333423666 377765013 /nfs/dbraw/zinc/76/50/13/377765013.db2.gz JPKKBPNLIQNGRY-HIFRSBDPSA-N 1 3 270.380 2.332 20 30 CEEDHO C=CCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441270113 377934268 /nfs/dbraw/zinc/93/42/68/377934268.db2.gz NTKQJVTYIAHXNG-SOUVJXGZSA-N 1 3 252.402 2.136 20 30 CEEDHO C=CCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441270111 377934311 /nfs/dbraw/zinc/93/43/11/377934311.db2.gz NTKQJVTYIAHXNG-RRFJBIMHSA-N 1 3 252.402 2.136 20 30 CEEDHO N#Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423377652 394907410 /nfs/dbraw/zinc/90/74/10/394907410.db2.gz VXLSBCXWVABRMR-IJEWVQPXSA-N 1 3 255.365 2.405 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000152941308 394999937 /nfs/dbraw/zinc/99/99/37/394999937.db2.gz QVZFJJFBOKZKIL-ZBFHGGJFSA-N 1 3 265.445 2.099 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000153556251 395010395 /nfs/dbraw/zinc/01/03/95/395010395.db2.gz HZUBFDREHRWKQM-KRWDZBQOSA-N 1 3 286.423 2.131 20 30 CEEDHO C=C(C)CCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351843780 395238401 /nfs/dbraw/zinc/23/84/01/395238401.db2.gz HTIOCAFZKGCOSJ-CALCHBBNSA-N 1 3 279.472 2.443 20 30 CEEDHO C=C(C)CCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351843780 395238402 /nfs/dbraw/zinc/23/84/02/395238402.db2.gz HTIOCAFZKGCOSJ-CALCHBBNSA-N 1 3 279.472 2.443 20 30 CEEDHO C=CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CC1 ZINC000442869514 395397707 /nfs/dbraw/zinc/39/77/07/395397707.db2.gz DMNHYLDCIPHNOH-MRXNPFEDSA-N 1 3 279.472 2.347 20 30 CEEDHO C=CCCCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000568107496 395549272 /nfs/dbraw/zinc/54/92/72/395549272.db2.gz OTGQUEPLZFIWQQ-OWCLPIDISA-N 1 3 266.429 2.480 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309646935 414855870 /nfs/dbraw/zinc/85/58/70/414855870.db2.gz CWYQNHOGTHMCRR-HOCLYGCPSA-N 1 3 285.391 2.174 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309646935 414855876 /nfs/dbraw/zinc/85/58/76/414855876.db2.gz CWYQNHOGTHMCRR-HOCLYGCPSA-N 1 3 285.391 2.174 20 30 CEEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000657886191 415114952 /nfs/dbraw/zinc/11/49/52/415114952.db2.gz ILEMKQUPNNQBBT-CABCVRRESA-N 1 3 266.429 2.168 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000335918863 228029082 /nfs/dbraw/zinc/02/90/82/228029082.db2.gz CWGNNYWQVGXHGL-HUUCEWRRSA-N 1 3 277.412 2.117 20 30 CEEDHO C[C@@H](CCNC(=[NH2+])N(C)C1CC1)N(C)Cc1ccccc1 ZINC000273353535 263015955 /nfs/dbraw/zinc/01/59/55/263015955.db2.gz QXOQQDAEOMLBBW-AWEZNQCLSA-N 1 3 288.439 2.306 20 30 CEEDHO C[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000397386746 267088460 /nfs/dbraw/zinc/08/84/60/267088460.db2.gz MFLXBQCLICQERJ-WWGRRREGSA-N 1 3 257.381 2.363 20 30 CEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C#N)cc1 ZINC000150999395 280085932 /nfs/dbraw/zinc/08/59/32/280085932.db2.gz OBGKQIJKRIGJPI-INIZCTEOSA-N 1 3 275.396 2.005 20 30 CEEDHO C=CCOc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414801744 328231776 /nfs/dbraw/zinc/23/17/76/328231776.db2.gz UQWITRUCOZITHE-ZBFHGGJFSA-N 1 3 260.381 2.468 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423105656 330170503 /nfs/dbraw/zinc/17/05/03/330170503.db2.gz ZDYLOSVHFBVXNF-IFIJOSMWSA-N 1 3 289.423 2.481 20 30 CEEDHO CC(C)CNC(=[NH2+])NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195291025 331166626 /nfs/dbraw/zinc/16/66/26/331166626.db2.gz MZPNEPMIMQKWGV-INIZCTEOSA-N 1 3 288.439 2.069 20 30 CEEDHO C#C[C@H](CC)NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000491801661 332355831 /nfs/dbraw/zinc/35/58/31/332355831.db2.gz DDTJKLYSRBWGQE-MRXNPFEDSA-N 1 3 298.434 2.177 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000521993956 333229523 /nfs/dbraw/zinc/22/95/23/333229523.db2.gz QTHWFUCJPGNASQ-FFSVYQOJSA-N 1 3 275.396 2.090 20 30 CEEDHO CCCCCCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000311398050 627651277 /nfs/dbraw/zinc/65/12/77/627651277.db2.gz ABURGBBPGKCUTH-INIZCTEOSA-N 1 3 267.461 2.326 20 30 CEEDHO C[C@H](CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N(C)C ZINC000895296663 630089921 /nfs/dbraw/zinc/08/99/21/630089921.db2.gz ARYXYQWJYRJXNS-KGLIPLIRSA-N 1 3 275.396 2.407 20 30 CEEDHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C#N)c1 ZINC000902813598 634848237 /nfs/dbraw/zinc/84/82/37/634848237.db2.gz DRKSWZQQLHAORY-INIZCTEOSA-N 1 3 287.407 2.056 20 30 CEEDHO C=CCC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903185299 635002150 /nfs/dbraw/zinc/00/21/50/635002150.db2.gz CXESRAJWZAYBLG-WPXLMEDKSA-N 1 3 264.413 2.061 20 30 CEEDHO C=CCC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903185299 635002155 /nfs/dbraw/zinc/00/21/55/635002155.db2.gz CXESRAJWZAYBLG-WPXLMEDKSA-N 1 3 264.413 2.061 20 30 CEEDHO C[NH+]1CCC2(CCCN(Cc3cccc(C#N)n3)C2)CC1 ZINC000877497592 650751375 /nfs/dbraw/zinc/75/13/75/650751375.db2.gz UMMVVLSXTRWJGI-UHFFFAOYSA-N 1 3 284.407 2.261 20 30 CEEDHO CCO[C@H](CC[NH+](C)C)CNCc1csc(C#N)c1 ZINC000921828178 642701948 /nfs/dbraw/zinc/70/19/48/642701948.db2.gz SQQLIBRCJFCGME-CYBMUJFWSA-N 1 3 281.425 2.066 20 30 CEEDHO C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001271551509 805991487 /nfs/dbraw/zinc/99/14/87/805991487.db2.gz LHLFNWNUHXCBEZ-HZPDHXFCSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCCC[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345551 806666909 /nfs/dbraw/zinc/66/69/09/806666909.db2.gz QCJZBKGLORZOJI-UHFFFAOYSA-N 1 3 295.471 2.169 20 30 CEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167261203 802613955 /nfs/dbraw/zinc/61/39/55/802613955.db2.gz ZDYBTAPYXLOUGP-HNNXBMFYSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C1CCCCC1 ZINC001268122786 804463795 /nfs/dbraw/zinc/46/37/95/804463795.db2.gz JBLUVFZAQAMOGX-CVEARBPZSA-N 1 3 295.471 2.167 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001122296999 807641483 /nfs/dbraw/zinc/64/14/83/807641483.db2.gz WFPSMUOLWPFEPO-HUUCEWRRSA-N 1 3 283.460 2.262 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001019468042 810713871 /nfs/dbraw/zinc/71/38/71/810713871.db2.gz DXOIRAKYKQFMMN-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)N(C)C ZINC001039282063 811004661 /nfs/dbraw/zinc/00/46/61/811004661.db2.gz IGBFZMLOMXLCOF-WTXIUTQJSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCN1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517420 812872163 /nfs/dbraw/zinc/87/21/63/812872163.db2.gz CCAVAFSADUEDDX-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO CCc1cc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)ccc1C#N ZINC001206212577 815797796 /nfs/dbraw/zinc/79/77/96/815797796.db2.gz SAMVCQJENNUDQM-HOTGVXAUSA-N 1 3 275.371 2.382 20 30 CEEDHO CCc1cc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)ccc1C#N ZINC001206212577 815797801 /nfs/dbraw/zinc/79/78/01/815797801.db2.gz SAMVCQJENNUDQM-HOTGVXAUSA-N 1 3 275.371 2.382 20 30 CEEDHO C#CCOc1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001138559170 815827346 /nfs/dbraw/zinc/82/73/46/815827346.db2.gz FVGJBLLCYIKYBY-SJORKVTESA-N 1 3 284.403 2.082 20 30 CEEDHO C#CCOc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001138559170 815827355 /nfs/dbraw/zinc/82/73/55/815827355.db2.gz FVGJBLLCYIKYBY-SJORKVTESA-N 1 3 284.403 2.082 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175255809 816163665 /nfs/dbraw/zinc/16/36/65/816163665.db2.gz HIGGFUCUWCIQDF-CVEARBPZSA-N 1 3 295.471 2.311 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178688846 816781930 /nfs/dbraw/zinc/78/19/30/816781930.db2.gz QCWTUTUIOGRRGV-UHFFFAOYSA-N 1 3 295.471 2.313 20 30 CEEDHO CCC1([NH+]2CCCC2)CCN(C(=O)C(C)C#N)CC1 ZINC000601745381 346890374 /nfs/dbraw/zinc/89/03/74/346890374.db2.gz SOUYYQZAQBMNMN-CYBMUJFWSA-N 1 3 263.385 2.013 20 30 CEEDHO C=CCCSCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000596651890 346072381 /nfs/dbraw/zinc/07/23/81/346072381.db2.gz RLUUPQOAVJJDQF-RBSFLKMASA-N 1 3 284.469 2.042 20 30 CEEDHO CN1C[C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]2C1 ZINC000597116140 346130190 /nfs/dbraw/zinc/13/01/90/346130190.db2.gz FIGPJTDMDWCENC-IYBDPMFKSA-N 1 3 281.403 2.235 20 30 CEEDHO CN1C[C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]2C1 ZINC000597116140 346130191 /nfs/dbraw/zinc/13/01/91/346130191.db2.gz FIGPJTDMDWCENC-IYBDPMFKSA-N 1 3 281.403 2.235 20 30 CEEDHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595513 346380498 /nfs/dbraw/zinc/38/04/98/346380498.db2.gz OUYUAISOMOBMRC-HUUCEWRRSA-N 1 3 281.444 2.093 20 30 CEEDHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595513 346380499 /nfs/dbraw/zinc/38/04/99/346380499.db2.gz OUYUAISOMOBMRC-HUUCEWRRSA-N 1 3 281.444 2.093 20 30 CEEDHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598724130 346408610 /nfs/dbraw/zinc/40/86/10/346408610.db2.gz IPTOIKMCKINVBZ-JKSUJKDBSA-N 1 3 295.471 2.245 20 30 CEEDHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598724130 346408611 /nfs/dbraw/zinc/40/86/11/346408611.db2.gz IPTOIKMCKINVBZ-JKSUJKDBSA-N 1 3 295.471 2.245 20 30 CEEDHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598724130 346408613 /nfs/dbraw/zinc/40/86/13/346408613.db2.gz IPTOIKMCKINVBZ-JKSUJKDBSA-N 1 3 295.471 2.245 20 30 CEEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000357789706 370829499 /nfs/dbraw/zinc/82/94/99/370829499.db2.gz FAGCAHBAHRGTSV-AWEZNQCLSA-N 1 3 285.391 2.448 20 30 CEEDHO N#Cc1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000343572301 367890958 /nfs/dbraw/zinc/89/09/58/367890958.db2.gz MRHXJBNFIDSSQQ-IAGOWNOFSA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000343572301 367890964 /nfs/dbraw/zinc/89/09/64/367890964.db2.gz MRHXJBNFIDSSQQ-IAGOWNOFSA-N 1 3 269.392 2.317 20 30 CEEDHO C=C(CC)CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343707969 367965272 /nfs/dbraw/zinc/96/52/72/367965272.db2.gz CAZFZIDMMCRUQY-OAHLLOKOSA-N 1 3 265.445 2.053 20 30 CEEDHO C=C(CC)CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343707969 367965278 /nfs/dbraw/zinc/96/52/78/367965278.db2.gz CAZFZIDMMCRUQY-OAHLLOKOSA-N 1 3 265.445 2.053 20 30 CEEDHO CC(C)[C@H](CNC(=O)C(C)C#N)[NH+]1CCC(C)CC1 ZINC000345859030 368457095 /nfs/dbraw/zinc/45/70/95/368457095.db2.gz ZLSPVWAVZPKFRC-KGLIPLIRSA-N 1 3 265.401 2.019 20 30 CEEDHO CCc1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)s1 ZINC000264069104 371960634 /nfs/dbraw/zinc/96/06/34/371960634.db2.gz CPOGNDMSVMUASZ-GFCCVEGCSA-N 1 3 294.468 2.199 20 30 CEEDHO COc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000414777533 375963159 /nfs/dbraw/zinc/96/31/59/375963159.db2.gz XXXCKCSJCDCOLA-QGZVFWFLSA-N 1 3 299.418 2.388 20 30 CEEDHO C=C(C)CN1CCC([NH2+]C2CCN(CC)CC2)CC1 ZINC000360168151 394791381 /nfs/dbraw/zinc/79/13/81/394791381.db2.gz BSCYTYBWVPVWAO-UHFFFAOYSA-N 1 3 265.445 2.101 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000152941422 394999480 /nfs/dbraw/zinc/99/94/80/394999480.db2.gz QVZFJJFBOKZKIL-HOCLYGCPSA-N 1 3 265.445 2.099 20 30 CEEDHO C[C@@H]1CN(CCC(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000347003605 395116549 /nfs/dbraw/zinc/11/65/49/395116549.db2.gz GWRNQQDQGDBKGQ-OAHLLOKOSA-N 1 3 292.471 2.027 20 30 CEEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000186230880 395286982 /nfs/dbraw/zinc/28/69/82/395286982.db2.gz JCEGWBXTFUTLAH-HNNXBMFYSA-N 1 3 257.381 2.250 20 30 CEEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000186230880 395286983 /nfs/dbraw/zinc/28/69/83/395286983.db2.gz JCEGWBXTFUTLAH-HNNXBMFYSA-N 1 3 257.381 2.250 20 30 CEEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000186230858 395287109 /nfs/dbraw/zinc/28/71/09/395287109.db2.gz JCEGWBXTFUTLAH-OAHLLOKOSA-N 1 3 257.381 2.250 20 30 CEEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000186230858 395287114 /nfs/dbraw/zinc/28/71/14/395287114.db2.gz JCEGWBXTFUTLAH-OAHLLOKOSA-N 1 3 257.381 2.250 20 30 CEEDHO C[NH+](C)CCOc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442709867 395392099 /nfs/dbraw/zinc/39/20/99/395392099.db2.gz OUHHVGTURNWVNB-ZBFHGGJFSA-N 1 3 287.407 2.409 20 30 CEEDHO N#Cc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239130 395455263 /nfs/dbraw/zinc/45/52/63/395455263.db2.gz DCBRDGVMNRYAMC-GOSISDBHSA-N 1 3 299.418 2.149 20 30 CEEDHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040009 395572701 /nfs/dbraw/zinc/57/27/01/395572701.db2.gz PYLOABWVPKKNIV-WMLDXEAASA-N 1 3 269.392 2.477 20 30 CEEDHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040009 395572702 /nfs/dbraw/zinc/57/27/02/395572702.db2.gz PYLOABWVPKKNIV-WMLDXEAASA-N 1 3 269.392 2.477 20 30 CEEDHO COc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000459799691 395666738 /nfs/dbraw/zinc/66/67/38/395666738.db2.gz YWIHCZSBDBRDRS-AWEZNQCLSA-N 1 3 287.407 2.388 20 30 CEEDHO COc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000459799691 395666739 /nfs/dbraw/zinc/66/67/39/395666739.db2.gz YWIHCZSBDBRDRS-AWEZNQCLSA-N 1 3 287.407 2.388 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000565043539 298871931 /nfs/dbraw/zinc/87/19/31/298871931.db2.gz FZESGNVRJZJIMQ-ZWKOTPCHSA-N 1 3 299.418 2.277 20 30 CEEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000657987708 415147669 /nfs/dbraw/zinc/14/76/69/415147669.db2.gz SYSCHQCHTMNQET-GJZGRUSLSA-N 1 3 254.418 2.289 20 30 CEEDHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC1(CC#N)CC1 ZINC000366761857 263390335 /nfs/dbraw/zinc/39/03/35/263390335.db2.gz VXQBCXUBQLJULI-OAGGEKHMSA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCC1(CC#N)CC1 ZINC000366761857 263390336 /nfs/dbraw/zinc/39/03/36/263390336.db2.gz VXQBCXUBQLJULI-OAGGEKHMSA-N 1 3 291.439 2.159 20 30 CEEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000357814360 266370820 /nfs/dbraw/zinc/37/08/20/266370820.db2.gz FFRAUYSPABQRAP-AWEZNQCLSA-N 1 3 285.391 2.448 20 30 CEEDHO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(C#N)cc1 ZINC000447527243 267193704 /nfs/dbraw/zinc/19/37/04/267193704.db2.gz DIVAJKCHZXOOMI-IAGOWNOFSA-N 1 3 287.407 2.056 20 30 CEEDHO CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(C#N)cc1 ZINC000447527242 267194526 /nfs/dbraw/zinc/19/45/26/267194526.db2.gz DIVAJKCHZXOOMI-DLBZAZTESA-N 1 3 287.407 2.056 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000332384417 274923509 /nfs/dbraw/zinc/92/35/09/274923509.db2.gz IOGMFKVCVWAPFD-DOTOQJQBSA-N 1 3 298.434 2.387 20 30 CEEDHO C[NH+]1CCC(N[C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000335184573 277031424 /nfs/dbraw/zinc/03/14/24/277031424.db2.gz FGSKQIYDAMGHRL-MRXNPFEDSA-N 1 3 255.365 2.229 20 30 CEEDHO CC[NH+]1CCC(CCNC[C@@H](C#N)CCC#N)CC1 ZINC000577741264 335395097 /nfs/dbraw/zinc/39/50/97/335395097.db2.gz CKFHWMIDYZKRBK-OAHLLOKOSA-N 1 3 262.401 2.142 20 30 CEEDHO CCc1ccc(NC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000104153964 624319157 /nfs/dbraw/zinc/31/91/57/624319157.db2.gz PWGNPHDVQNFFLN-OAHLLOKOSA-N 1 3 274.412 2.460 20 30 CEEDHO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000895296664 630089985 /nfs/dbraw/zinc/08/99/85/630089985.db2.gz ARYXYQWJYRJXNS-UONOGXRCSA-N 1 3 275.396 2.407 20 30 CEEDHO COc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000817916068 633774735 /nfs/dbraw/zinc/77/47/35/633774735.db2.gz ULOJAFHOYARJBZ-DZGCQCFKSA-N 1 3 273.380 2.174 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623998 638337324 /nfs/dbraw/zinc/33/73/24/638337324.db2.gz PGIVDFFPVDPAJT-ZIAGYGMSSA-N 1 3 269.433 2.014 20 30 CEEDHO CCN(CC)[C@@H](CNC(NC1CC1)=[NH+]C)CC(C)C ZINC000848984192 642206390 /nfs/dbraw/zinc/20/63/90/642206390.db2.gz XCOMSFINAXIBKJ-CQSZACIVSA-N 1 3 268.449 2.070 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001001010825 642675575 /nfs/dbraw/zinc/67/55/75/642675575.db2.gz XJHVMKJMXHQAMT-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C#CC[C@H](CO)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000883125092 652370319 /nfs/dbraw/zinc/37/03/19/652370319.db2.gz YOWSNWXXEYSIIA-RYQLBKOJSA-N 1 3 286.419 2.013 20 30 CEEDHO C#CC[C@H](CO)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000883125092 652370321 /nfs/dbraw/zinc/37/03/21/652370321.db2.gz YOWSNWXXEYSIIA-RYQLBKOJSA-N 1 3 286.419 2.013 20 30 CEEDHO N#CC[C@@H]1CCC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168390047 807053923 /nfs/dbraw/zinc/05/39/23/807053923.db2.gz FBCPZFAGLJOAHK-AWEZNQCLSA-N 1 3 261.413 2.486 20 30 CEEDHO N#CC[C@@H]1CCC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168390047 807053931 /nfs/dbraw/zinc/05/39/31/807053931.db2.gz FBCPZFAGLJOAHK-AWEZNQCLSA-N 1 3 261.413 2.486 20 30 CEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001269355048 805138835 /nfs/dbraw/zinc/13/88/35/805138835.db2.gz DGBRPJRRZJNNJL-MRXNPFEDSA-N 1 3 295.471 2.217 20 30 CEEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001269355048 805138839 /nfs/dbraw/zinc/13/88/39/805138839.db2.gz DGBRPJRRZJNNJL-MRXNPFEDSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322849 807726434 /nfs/dbraw/zinc/72/64/34/807726434.db2.gz YPAMMEGBOZIGJR-HNNXBMFYSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001034797411 809696994 /nfs/dbraw/zinc/69/69/94/809696994.db2.gz ZUAKAXOSOXPXLU-VGWMRTNUSA-N 1 3 293.455 2.062 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH+](CCCC)CC1 ZINC001121996228 815375415 /nfs/dbraw/zinc/37/54/15/815375415.db2.gz FLYQJGNQHJIOTD-OAHLLOKOSA-N 1 3 281.444 2.051 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001122116114 815386001 /nfs/dbraw/zinc/38/60/01/815386001.db2.gz QBKOILRBMGUFNV-XHSDSOJGSA-N 1 3 295.471 2.417 20 30 CEEDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC001169123350 811391141 /nfs/dbraw/zinc/39/11/41/811391141.db2.gz JUGMZZNMVKBHNL-CLLJXQQHSA-N 1 3 261.394 2.335 20 30 CEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052428183 812991308 /nfs/dbraw/zinc/99/13/08/812991308.db2.gz FNIMEHVQRYYKGZ-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052428183 812991315 /nfs/dbraw/zinc/99/13/15/812991315.db2.gz FNIMEHVQRYYKGZ-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133906443 813174687 /nfs/dbraw/zinc/17/46/87/813174687.db2.gz WAZGKQVYGLHQKZ-AWEZNQCLSA-N 1 3 283.460 2.025 20 30 CEEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170742956 813244037 /nfs/dbraw/zinc/24/40/37/813244037.db2.gz OZNOWZFXAYCGKD-CVEARBPZSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCCCCC[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174682733 816063907 /nfs/dbraw/zinc/06/39/07/816063907.db2.gz LVXSGCFYMCPCLH-UHFFFAOYSA-N 1 3 292.427 2.103 20 30 CEEDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000337888435 214303000 /nfs/dbraw/zinc/30/30/00/214303000.db2.gz XQMXLTQBSHCYPN-GFCCVEGCSA-N 1 3 263.410 2.441 20 30 CEEDHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525050 347066319 /nfs/dbraw/zinc/06/63/19/347066319.db2.gz QCEPFMNLCPQKJN-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO CC[N@H+]1CCC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525050 347066321 /nfs/dbraw/zinc/06/63/21/347066321.db2.gz QCEPFMNLCPQKJN-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO N#Cc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322865 345466599 /nfs/dbraw/zinc/46/65/99/345466599.db2.gz PFPJHJYVMJQFHB-RCCFBDPRSA-N 1 3 299.418 2.419 20 30 CEEDHO C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@H]1CN ZINC000595893519 345908806 /nfs/dbraw/zinc/90/88/06/345908806.db2.gz RXLJFEJPDNJOPO-XJKSGUPXSA-N 1 3 257.381 2.017 20 30 CEEDHO C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1CN ZINC000595893519 345908808 /nfs/dbraw/zinc/90/88/08/345908808.db2.gz RXLJFEJPDNJOPO-XJKSGUPXSA-N 1 3 257.381 2.017 20 30 CEEDHO C[C@@H](CCC#N)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351413563 295844869 /nfs/dbraw/zinc/84/48/69/295844869.db2.gz MDJKIIYWSQNJMT-ARFHVFGLSA-N 1 3 293.455 2.500 20 30 CEEDHO C=CCc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1O ZINC000414925513 540247770 /nfs/dbraw/zinc/24/77/70/540247770.db2.gz LXNDOSXKDDJKRC-CABCVRRESA-N 1 3 290.407 2.489 20 30 CEEDHO COc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1C#N ZINC000087822290 363870890 /nfs/dbraw/zinc/87/08/90/363870890.db2.gz OBQAERUYCOJATO-UHFFFAOYSA-N 1 3 275.396 2.244 20 30 CEEDHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C)C#N ZINC000357826498 370830772 /nfs/dbraw/zinc/83/07/72/370830772.db2.gz LMNOHJZQIRROBU-CYBMUJFWSA-N 1 3 273.380 2.303 20 30 CEEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(C)C#N ZINC000357826498 370830777 /nfs/dbraw/zinc/83/07/77/370830777.db2.gz LMNOHJZQIRROBU-CYBMUJFWSA-N 1 3 273.380 2.303 20 30 CEEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C(C)C ZINC000165199673 367305949 /nfs/dbraw/zinc/30/59/49/367305949.db2.gz GOPAOXCLRWEHFL-LSDHHAIUSA-N 1 3 295.471 2.175 20 30 CEEDHO C=C(C)C[N@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000191407988 369709999 /nfs/dbraw/zinc/70/99/99/369709999.db2.gz MKUBCSMPRMBUKQ-UHFFFAOYSA-N 1 3 267.461 2.301 20 30 CEEDHO C=C(C)C[N@@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000191407988 369710002 /nfs/dbraw/zinc/71/00/02/369710002.db2.gz MKUBCSMPRMBUKQ-UHFFFAOYSA-N 1 3 267.461 2.301 20 30 CEEDHO C=C(CC)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420976344 376754255 /nfs/dbraw/zinc/75/42/55/376754255.db2.gz GVPMGTPPVSRGAG-UHFFFAOYSA-N 1 3 279.472 2.445 20 30 CEEDHO C=C(CC)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420976344 376754261 /nfs/dbraw/zinc/75/42/61/376754261.db2.gz GVPMGTPPVSRGAG-UHFFFAOYSA-N 1 3 279.472 2.445 20 30 CEEDHO C#Cc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000279148359 194306329 /nfs/dbraw/zinc/30/63/29/194306329.db2.gz ZXRUXNJXFCXDBV-SFHVURJKSA-N 1 3 298.430 2.258 20 30 CEEDHO CC(C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000334468257 394689051 /nfs/dbraw/zinc/68/90/51/394689051.db2.gz FVURQDWNONWEFN-YJBOKZPZSA-N 1 3 297.402 2.271 20 30 CEEDHO CC(C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000334468257 394689054 /nfs/dbraw/zinc/68/90/54/394689054.db2.gz FVURQDWNONWEFN-YJBOKZPZSA-N 1 3 297.402 2.271 20 30 CEEDHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443968542 395407946 /nfs/dbraw/zinc/40/79/46/395407946.db2.gz FHQDAQVADMZXRX-HNNXBMFYSA-N 1 3 257.381 2.298 20 30 CEEDHO C=CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000661754666 415445235 /nfs/dbraw/zinc/44/52/35/415445235.db2.gz ADJSODGTUUBXEV-UHFFFAOYSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[C@@]1(C(=O)NCCN2CCCC[C@@H]2CC)CCC[NH2+]1 ZINC000662735368 415948443 /nfs/dbraw/zinc/94/84/43/415948443.db2.gz NBTYQYRKVFEHJF-RDJZCZTQSA-N 1 3 293.455 2.065 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000347031896 226020383 /nfs/dbraw/zinc/02/03/83/226020383.db2.gz FINDWUYOUFFRMV-RFGFWPKPSA-N 1 3 263.385 2.010 20 30 CEEDHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1 ZINC000366691513 263132498 /nfs/dbraw/zinc/13/24/98/263132498.db2.gz BSBROURUULZYLB-HZMVEIRTSA-N 1 3 289.423 2.078 20 30 CEEDHO N#C[C@H]1CCC[C@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000061891802 294840906 /nfs/dbraw/zinc/84/09/06/294840906.db2.gz WVYPTRHNUINBDN-CZUORRHYSA-N 1 3 270.380 2.332 20 30 CEEDHO C[NH+](C)CCCC(C)(C)NCc1nc(C#N)cs1 ZINC000387341678 321877687 /nfs/dbraw/zinc/87/76/87/321877687.db2.gz QHLKWSHHRKZUJH-UHFFFAOYSA-N 1 3 266.414 2.225 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000262678255 330026289 /nfs/dbraw/zinc/02/62/89/330026289.db2.gz RYRUOUYOLKICTK-JSGCOSHPSA-N 1 3 292.452 2.221 20 30 CEEDHO C[C@@H]1C[NH+]=C(NC[C@H]2CCCN(C)[C@@H]2c2cccs2)N1 ZINC000262682517 330026758 /nfs/dbraw/zinc/02/67/58/330026758.db2.gz WWAIJJBAJOCXLB-BZPMIXESSA-N 1 3 292.452 2.068 20 30 CEEDHO N#CCCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033959 330166289 /nfs/dbraw/zinc/16/62/89/330166289.db2.gz PGRLFRDWYGGGLT-HOCLYGCPSA-N 1 3 271.364 2.136 20 30 CEEDHO C=CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CCCC1 ZINC000423152898 330173106 /nfs/dbraw/zinc/17/31/06/330173106.db2.gz GIHMEJLXYZKZND-SOUVJXGZSA-N 1 3 266.429 2.465 20 30 CEEDHO C=CCC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423410636 330197197 /nfs/dbraw/zinc/19/71/97/330197197.db2.gz DJWXLHOHSMDFEO-HUUCEWRRSA-N 1 3 252.402 2.089 20 30 CEEDHO C=CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)C1CC1 ZINC000120144349 330385771 /nfs/dbraw/zinc/38/57/71/330385771.db2.gz OMKRZGITYGQQBY-QGZVFWFLSA-N 1 3 279.472 2.348 20 30 CEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001022808212 624631875 /nfs/dbraw/zinc/63/18/75/624631875.db2.gz QZIOWQNCCPIUHA-OWCLPIDISA-N 1 3 293.455 2.062 20 30 CEEDHO C#CCSCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000181097978 627370086 /nfs/dbraw/zinc/37/00/86/627370086.db2.gz FRESEGKWFNMWGM-UHFFFAOYSA-N 1 3 254.443 2.205 20 30 CEEDHO C#CCSCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000181097978 627370090 /nfs/dbraw/zinc/37/00/90/627370090.db2.gz FRESEGKWFNMWGM-UHFFFAOYSA-N 1 3 254.443 2.205 20 30 CEEDHO C#CCOc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000925739626 628700924 /nfs/dbraw/zinc/70/09/24/628700924.db2.gz ARTMMYVBBJSKGY-ZDUSSCGKSA-N 1 3 260.381 2.477 20 30 CEEDHO CSC1(CNCC#Cc2ccccc2)CC[NH+](C)CC1 ZINC000894546353 629528505 /nfs/dbraw/zinc/52/85/05/629528505.db2.gz ZIEJKSLLXLFFKI-UHFFFAOYSA-N 1 3 288.460 2.455 20 30 CEEDHO C[NH+]1CCC(CN2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000895841819 630365672 /nfs/dbraw/zinc/36/56/72/630365672.db2.gz IOMUYGVQVKPEQO-UHFFFAOYSA-N 1 3 298.434 2.022 20 30 CEEDHO C#C[C@H](C)NCc1ccccc1N1CC[NH+](CCC)CC1 ZINC000809683461 632126814 /nfs/dbraw/zinc/12/68/14/632126814.db2.gz BWGSNANHGRCVGZ-INIZCTEOSA-N 1 3 285.435 2.330 20 30 CEEDHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017959 634927018 /nfs/dbraw/zinc/92/70/18/634927018.db2.gz ULVXJMVDVHILTQ-UONOGXRCSA-N 1 3 272.396 2.336 20 30 CEEDHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017959 634927020 /nfs/dbraw/zinc/92/70/20/634927020.db2.gz ULVXJMVDVHILTQ-UONOGXRCSA-N 1 3 272.396 2.336 20 30 CEEDHO C=C(CC[NH+](C)C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000910424827 638043301 /nfs/dbraw/zinc/04/33/01/638043301.db2.gz RQYKSXAERBBOST-UHFFFAOYSA-N 1 3 293.386 2.334 20 30 CEEDHO C#CCCCCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876715358 650408797 /nfs/dbraw/zinc/40/87/97/650408797.db2.gz MQCWZEQHWWRFDY-SFHVURJKSA-N 1 3 291.483 2.282 20 30 CEEDHO C#CCCCCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876715358 650408798 /nfs/dbraw/zinc/40/87/98/650408798.db2.gz MQCWZEQHWWRFDY-SFHVURJKSA-N 1 3 291.483 2.282 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911817269 638433138 /nfs/dbraw/zinc/43/31/38/638433138.db2.gz GBYOKSACZQXSFS-KFWWJZLASA-N 1 3 283.460 2.260 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NC[C@H](C)N1CCCC[C@@H]1C ZINC000848987036 642209573 /nfs/dbraw/zinc/20/95/73/642209573.db2.gz GXZQROIOQQGWFK-KBPBESRZSA-N 1 3 292.427 2.208 20 30 CEEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001003627841 642962811 /nfs/dbraw/zinc/96/28/11/642962811.db2.gz IXOAHCMFHGSSPE-HNNXBMFYSA-N 1 3 293.455 2.018 20 30 CEEDHO C[C@@H]1CC[C@H](CN)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424981 643703977 /nfs/dbraw/zinc/70/39/77/643703977.db2.gz VVBBCPKSSVDXIA-BQGCOEIASA-N 1 3 287.407 2.039 20 30 CEEDHO C[C@@H]1CC[C@H](CN)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424981 643703981 /nfs/dbraw/zinc/70/39/81/643703981.db2.gz VVBBCPKSSVDXIA-BQGCOEIASA-N 1 3 287.407 2.039 20 30 CEEDHO C#Cc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000858246198 645097899 /nfs/dbraw/zinc/09/78/99/645097899.db2.gz XLZKWVVMPQNHNH-QGZVFWFLSA-N 1 3 256.393 2.489 20 30 CEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001088327305 806119597 /nfs/dbraw/zinc/11/95/97/806119597.db2.gz KDDIBBZZYHYFMT-HNNXBMFYSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001088325941 806119680 /nfs/dbraw/zinc/11/96/80/806119680.db2.gz CCKNICRMALGQEL-HNNXBMFYSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266547291 802701470 /nfs/dbraw/zinc/70/14/70/802701470.db2.gz ODWJEBUIHNWNOM-OWCLPIDISA-N 1 3 295.471 2.118 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122103473 815385106 /nfs/dbraw/zinc/38/51/06/815385106.db2.gz LOCHHNGPNHTWLJ-HNNXBMFYSA-N 1 3 293.455 2.147 20 30 CEEDHO C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172489103 815450996 /nfs/dbraw/zinc/45/09/96/815450996.db2.gz ZGCYUMLLOMCQOP-BZUAXINKSA-N 1 3 279.428 2.302 20 30 CEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002760 811981761 /nfs/dbraw/zinc/98/17/61/811981761.db2.gz SWNPYGJWCMCYFS-PMPSAXMXSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCN1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132508033 812872697 /nfs/dbraw/zinc/87/26/97/812872697.db2.gz BPKFLUHAGVGVPY-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCCNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001159262022 813327839 /nfs/dbraw/zinc/32/78/39/813327839.db2.gz FIHTVFUTFZCKQX-UHFFFAOYSA-N 1 3 260.385 2.387 20 30 CEEDHO C=CCn1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cn1 ZINC001139771134 816111839 /nfs/dbraw/zinc/11/18/39/816111839.db2.gz PIDQGNBQXLPUIQ-UHFFFAOYSA-N 1 3 288.439 2.377 20 30 CEEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986046 816503214 /nfs/dbraw/zinc/50/32/14/816503214.db2.gz CMQXEAGBGGBMKH-HOTGVXAUSA-N 1 3 295.471 2.311 20 30 CEEDHO C#CCN1CCC(C(=O)Nc2ccccc2C[NH+](C)C)CC1 ZINC000050030018 343540905 /nfs/dbraw/zinc/54/09/05/343540905.db2.gz QSNSPHFCIPUMMT-UHFFFAOYSA-N 1 3 299.418 2.032 20 30 CEEDHO N#CC1(c2ccccc2)CCC([NH2+]CCCN)CC1 ZINC000138627565 344391144 /nfs/dbraw/zinc/39/11/44/344391144.db2.gz CXAZWAAWNLDIFL-UHFFFAOYSA-N 1 3 257.381 2.329 20 30 CEEDHO C[C@H](CCC#N)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000602486721 347055837 /nfs/dbraw/zinc/05/58/37/347055837.db2.gz OYSSRKVKQLFDIL-FXUDXRNXSA-N 1 3 279.428 2.110 20 30 CEEDHO C[NH+]1CCC2(CC1)CN(CC(C)(C)CCC#N)CCO2 ZINC000592529417 345368326 /nfs/dbraw/zinc/36/83/26/345368326.db2.gz YSUXNHIRLPMCFV-UHFFFAOYSA-N 1 3 279.428 2.113 20 30 CEEDHO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000595073184 345739349 /nfs/dbraw/zinc/73/93/49/345739349.db2.gz SXMODRFFERNGTB-SQNIBIBYSA-N 1 3 299.418 2.035 20 30 CEEDHO C[C@H]([NH3+])[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595889638 345906916 /nfs/dbraw/zinc/90/69/16/345906916.db2.gz AQWYQRFXEHZOIQ-BBRMVZONSA-N 1 3 257.381 2.160 20 30 CEEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596097539 345939217 /nfs/dbraw/zinc/93/92/17/345939217.db2.gz YUKPFOAOKBETHQ-PMPSAXMXSA-N 1 3 261.413 2.390 20 30 CEEDHO N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596097539 345939218 /nfs/dbraw/zinc/93/92/18/345939218.db2.gz YUKPFOAOKBETHQ-PMPSAXMXSA-N 1 3 261.413 2.390 20 30 CEEDHO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000596097539 345939220 /nfs/dbraw/zinc/93/92/20/345939220.db2.gz YUKPFOAOKBETHQ-PMPSAXMXSA-N 1 3 261.413 2.390 20 30 CEEDHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000597697205 346217472 /nfs/dbraw/zinc/21/74/72/346217472.db2.gz DQMLAQQRCPSXJB-HYVNUMGLSA-N 1 3 299.418 2.310 20 30 CEEDHO CC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(C#N)cc1 ZINC000600712392 346675920 /nfs/dbraw/zinc/67/59/20/346675920.db2.gz XLJWJEYNBQAJJX-HNNXBMFYSA-N 1 3 273.380 2.107 20 30 CEEDHO Cc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1C#N ZINC000600711723 346675951 /nfs/dbraw/zinc/67/59/51/346675951.db2.gz RQTVRKPKYZBMDZ-MSOLQXFVSA-N 1 3 299.418 2.195 20 30 CEEDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000063917484 362777924 /nfs/dbraw/zinc/77/79/24/362777924.db2.gz JKFYIKIOEYODMO-INIZCTEOSA-N 1 3 257.381 2.380 20 30 CEEDHO C=CCOc1cccc(CN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000346690732 368773097 /nfs/dbraw/zinc/77/30/97/368773097.db2.gz UQUBAHPXYQPMSJ-HIFRSBDPSA-N 1 3 260.381 2.421 20 30 CEEDHO CC(C#N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347753460 368817859 /nfs/dbraw/zinc/81/78/59/368817859.db2.gz LIQIVUDSLNWWTB-GDBMZVCRSA-N 1 3 285.391 2.127 20 30 CEEDHO CC(C#N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347753460 368817861 /nfs/dbraw/zinc/81/78/61/368817861.db2.gz LIQIVUDSLNWWTB-GDBMZVCRSA-N 1 3 285.391 2.127 20 30 CEEDHO C=CCOCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000348047909 368874151 /nfs/dbraw/zinc/87/41/51/368874151.db2.gz GJENGOCLWHCFIS-MRXNPFEDSA-N 1 3 266.429 2.387 20 30 CEEDHO C=CCOCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000348047909 368874157 /nfs/dbraw/zinc/87/41/57/368874157.db2.gz GJENGOCLWHCFIS-MRXNPFEDSA-N 1 3 266.429 2.387 20 30 CEEDHO C[C@@H](CC[NH+](C)C)NC(=O)C(C#N)CCc1ccccc1 ZINC000435927386 377812590 /nfs/dbraw/zinc/81/25/90/377812590.db2.gz MLBSKLVXHVKZFM-HOCLYGCPSA-N 1 3 287.407 2.215 20 30 CEEDHO C#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000294714326 378015831 /nfs/dbraw/zinc/01/58/31/378015831.db2.gz CCTNPVWVJISLQX-ALOPSCKCSA-N 1 3 254.377 2.383 20 30 CEEDHO C=CCC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000305065216 379617663 /nfs/dbraw/zinc/61/76/63/379617663.db2.gz HOZQVSATIRBTMW-HUUCEWRRSA-N 1 3 254.418 2.120 20 30 CEEDHO C=CCC[C@@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000305065216 379617668 /nfs/dbraw/zinc/61/76/68/379617668.db2.gz HOZQVSATIRBTMW-HUUCEWRRSA-N 1 3 254.418 2.120 20 30 CEEDHO CCN(CC)C(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000104157422 394718439 /nfs/dbraw/zinc/71/84/39/394718439.db2.gz FXLFYJICXCKMJD-UHFFFAOYSA-N 1 3 276.428 2.165 20 30 CEEDHO C=CCC[C@@H](CCC)[NH2+]CC1(O)CCN(C)CC1 ZINC000360253728 394795202 /nfs/dbraw/zinc/79/52/02/394795202.db2.gz TVQUFYFJSQZJRA-CQSZACIVSA-N 1 3 254.418 2.168 20 30 CEEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339013010 394936426 /nfs/dbraw/zinc/93/64/26/394936426.db2.gz ZMHHBHNNMLGAFG-BZUAXINKSA-N 1 3 279.428 2.111 20 30 CEEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339013012 394936542 /nfs/dbraw/zinc/93/65/42/394936542.db2.gz ZMHHBHNNMLGAFG-OWCLPIDISA-N 1 3 279.428 2.111 20 30 CEEDHO C=C(C)COCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000353616950 395302671 /nfs/dbraw/zinc/30/26/71/395302671.db2.gz CFKDXUGXDVZHSL-ZNMIVQPWSA-N 1 3 252.402 2.042 20 30 CEEDHO C=C(C)COCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353616950 395302675 /nfs/dbraw/zinc/30/26/75/395302675.db2.gz CFKDXUGXDVZHSL-ZNMIVQPWSA-N 1 3 252.402 2.042 20 30 CEEDHO C=C(C)COCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353616950 395302680 /nfs/dbraw/zinc/30/26/80/395302680.db2.gz CFKDXUGXDVZHSL-ZNMIVQPWSA-N 1 3 252.402 2.042 20 30 CEEDHO CC(C#N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000347082916 226042882 /nfs/dbraw/zinc/04/28/82/226042882.db2.gz YNWLJIFINMMXJH-CQSZACIVSA-N 1 3 277.412 2.451 20 30 CEEDHO CC(C#N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000347088049 226045304 /nfs/dbraw/zinc/04/53/04/226045304.db2.gz PKTRPFXZFGXIFG-ZIAGYGMSSA-N 1 3 285.391 2.488 20 30 CEEDHO C[C@@H](CC[NH+](C)C)NCc1ccc(N(C)CCC#N)cc1 ZINC000068366351 260255994 /nfs/dbraw/zinc/25/59/94/260255994.db2.gz GQXDFECFIJHRPP-HNNXBMFYSA-N 1 3 288.439 2.466 20 30 CEEDHO C[C@@H]1CCC[C@](CNC(=[NH2+])NC(C)(C)C)(N(C)C)C1 ZINC000203012738 261357446 /nfs/dbraw/zinc/35/74/46/261357446.db2.gz PPRONOBDNDCOTQ-DOMZBBRYSA-N 1 3 268.449 2.200 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357790049 266362860 /nfs/dbraw/zinc/36/28/60/266362860.db2.gz KMNJFJVQVOZZOD-XQQFMLRXSA-N 1 3 265.401 2.019 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000357790049 266362864 /nfs/dbraw/zinc/36/28/64/266362864.db2.gz KMNJFJVQVOZZOD-XQQFMLRXSA-N 1 3 265.401 2.019 20 30 CEEDHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(C)C#N ZINC000357800870 266366276 /nfs/dbraw/zinc/36/62/76/266366276.db2.gz NWWKBVXUIZMUCP-ZDUSSCGKSA-N 1 3 273.380 2.304 20 30 CEEDHO C[NH+](C)CC1CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000571994388 329935518 /nfs/dbraw/zinc/93/55/18/329935518.db2.gz PPRHFXOOZZLVQE-SLTAFYQDSA-N 1 3 262.401 2.140 20 30 CEEDHO C=CCN(CC=C)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422834968 330156809 /nfs/dbraw/zinc/15/68/09/330156809.db2.gz ONLSNHHNKXBBJF-IKGGRYGDSA-N 1 3 279.472 2.415 20 30 CEEDHO C=CCN1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422860713 330157889 /nfs/dbraw/zinc/15/78/89/330157889.db2.gz MTGIENDYWYLTTG-YJBOKZPZSA-N 1 3 287.451 2.185 20 30 CEEDHO COC[C@H](CCC[NH3+])N[C@@H](CCC#N)c1ccccc1 ZINC000422994127 330163209 /nfs/dbraw/zinc/16/32/09/330163209.db2.gz HARLSKQOFDBZHO-HOTGVXAUSA-N 1 3 275.396 2.375 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423095695 330169694 /nfs/dbraw/zinc/16/96/94/330169694.db2.gz MZVZKZRFTBQEEB-KBXIAJHMSA-N 1 3 252.402 2.088 20 30 CEEDHO C=CCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000423100754 330170222 /nfs/dbraw/zinc/17/02/22/330170222.db2.gz HISOPRPPDOHWJV-IAOVAPTHSA-N 1 3 290.407 2.093 20 30 CEEDHO C=CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CCCC1 ZINC000423152697 330173147 /nfs/dbraw/zinc/17/31/47/330173147.db2.gz GIHMEJLXYZKZND-RRFJBIMHSA-N 1 3 266.429 2.465 20 30 CEEDHO C=CCN1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423367379 330194742 /nfs/dbraw/zinc/19/47/42/330194742.db2.gz AIOJSAWLVJPPDV-ZDUSSCGKSA-N 1 3 287.407 2.087 20 30 CEEDHO C=CC[C@@H]1CC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000934460508 624507735 /nfs/dbraw/zinc/50/77/35/624507735.db2.gz JOWYVWGXRWPBDZ-MRXNPFEDSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CC[C@@H]1CC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000934460508 624507742 /nfs/dbraw/zinc/50/77/42/624507742.db2.gz JOWYVWGXRWPBDZ-MRXNPFEDSA-N 1 3 265.445 2.053 20 30 CEEDHO C#CCOc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000895298193 630086637 /nfs/dbraw/zinc/08/66/37/630086637.db2.gz UEIIZJDUGSMFAT-AWEZNQCLSA-N 1 3 260.381 2.128 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000911619550 638336482 /nfs/dbraw/zinc/33/64/82/638336482.db2.gz LKYDPUAPHSCORZ-CQSZACIVSA-N 1 3 269.433 2.014 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623996 638337197 /nfs/dbraw/zinc/33/71/97/638337197.db2.gz PGIVDFFPVDPAJT-KGLIPLIRSA-N 1 3 269.433 2.014 20 30 CEEDHO C=CCCOCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000231801629 639879370 /nfs/dbraw/zinc/87/93/70/639879370.db2.gz PXRIETILPIZNRX-GJZGRUSLSA-N 1 3 254.418 2.480 20 30 CEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)cccc1C ZINC000153322406 640461070 /nfs/dbraw/zinc/46/10/70/640461070.db2.gz HZQPHYPRNGBZSR-OAHLLOKOSA-N 1 3 288.439 2.192 20 30 CEEDHO C[NH+]1CCC(C=Nn2cnnc2-c2ccccc2)CC1 ZINC000872339195 649360430 /nfs/dbraw/zinc/36/04/30/649360430.db2.gz BUIDPHIXZFDXGQ-UHFFFAOYSA-N 1 3 269.352 2.121 20 30 CEEDHO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001267607923 803609011 /nfs/dbraw/zinc/60/90/11/803609011.db2.gz OOVDPJUFZKNZDG-JYJNAYRXSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879736 804315621 /nfs/dbraw/zinc/31/56/21/804315621.db2.gz XCUFHXOPCWGEFK-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879736 804315631 /nfs/dbraw/zinc/31/56/31/804315631.db2.gz XCUFHXOPCWGEFK-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO CC[NH+](CC)CCC[C@H](C)N1CCN(CCC#N)CC1 ZINC001167826842 804388367 /nfs/dbraw/zinc/38/83/67/804388367.db2.gz RLMYXZBQTTWSCR-INIZCTEOSA-N 1 3 280.460 2.028 20 30 CEEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001269799209 805255637 /nfs/dbraw/zinc/25/56/37/805255637.db2.gz SKNUVHCVEHIAOU-MRXNPFEDSA-N 1 3 295.471 2.121 20 30 CEEDHO N#Cc1ccc(CN2CCCC3(CC[NH2+]CC3)C2)o1 ZINC001118999022 815062277 /nfs/dbraw/zinc/06/22/77/815062277.db2.gz MEVWDCCGRKGDPM-UHFFFAOYSA-N 1 3 259.353 2.117 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001122296998 807641611 /nfs/dbraw/zinc/64/16/11/807641611.db2.gz WFPSMUOLWPFEPO-GJZGRUSLSA-N 1 3 283.460 2.262 20 30 CEEDHO C=CCC[C@H](C)N1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113563322 812278867 /nfs/dbraw/zinc/27/88/67/812278867.db2.gz JOVVQIVNHVEQEJ-INIZCTEOSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCCCCC[NH2+]CCNC(=O)C(C)(C)N(C)CC ZINC001130425396 812567209 /nfs/dbraw/zinc/56/72/09/812567209.db2.gz XLMAEJHOOMHIIW-UHFFFAOYSA-N 1 3 283.460 2.169 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135747879 813517240 /nfs/dbraw/zinc/51/72/40/813517240.db2.gz WFIXYAKTTBRMNF-HUUCEWRRSA-N 1 3 283.460 2.167 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171235079 814205932 /nfs/dbraw/zinc/20/59/32/814205932.db2.gz DJICKHLWXRVWFR-OAHLLOKOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175303890 816170736 /nfs/dbraw/zinc/17/07/36/816170736.db2.gz HWWHLDIADQYCIJ-GJZGRUSLSA-N 1 3 283.460 2.167 20 30 CEEDHO C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001206300924 816546097 /nfs/dbraw/zinc/54/60/97/816546097.db2.gz GCAAUZCPAZSKKA-INIZCTEOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC1([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCOCC1 ZINC000668552440 539196602 /nfs/dbraw/zinc/19/66/02/539196602.db2.gz MGEHPAXJEFICQW-HUUCEWRRSA-N 1 3 264.413 2.328 20 30 CEEDHO C[C@H](CN[C@H](C)CC1(C#N)CCOCC1)C[NH+]1CCCC1 ZINC000602518354 347064603 /nfs/dbraw/zinc/06/46/03/347064603.db2.gz QFLFNGZNWIXTLE-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)CN1CCCC1 ZINC000602518354 347064606 /nfs/dbraw/zinc/06/46/06/347064606.db2.gz QFLFNGZNWIXTLE-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO CCC[NH+]1CCC(CNCc2cccc(C#N)n2)CC1 ZINC000602551877 347074071 /nfs/dbraw/zinc/07/40/71/347074071.db2.gz QUROFNMWDSKPBY-UHFFFAOYSA-N 1 3 272.396 2.165 20 30 CEEDHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1F ZINC000591579984 345266658 /nfs/dbraw/zinc/26/66/58/345266658.db2.gz DFXWUUXPOVZLLB-NHYWBVRUSA-N 1 3 273.355 2.490 20 30 CEEDHO N#Cc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000596649726 346071342 /nfs/dbraw/zinc/07/13/42/346071342.db2.gz GGRSPHYBYUCHPE-HZPDHXFCSA-N 1 3 257.381 2.350 20 30 CEEDHO CC(C)(C#N)C[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000598585429 346377914 /nfs/dbraw/zinc/37/79/14/346377914.db2.gz COQBIPIOYILLHO-MRXNPFEDSA-N 1 3 293.455 2.095 20 30 CEEDHO N#Cc1ccccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000598683294 346400138 /nfs/dbraw/zinc/40/01/38/346400138.db2.gz REDFTAHRMNJEMQ-OKZBNKHCSA-N 1 3 299.418 2.277 20 30 CEEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000602889836 347239834 /nfs/dbraw/zinc/23/98/34/347239834.db2.gz DYQCONBQWKSSCG-RHSMWYFYSA-N 1 3 287.407 2.008 20 30 CEEDHO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000602889836 347239837 /nfs/dbraw/zinc/23/98/37/347239837.db2.gz DYQCONBQWKSSCG-RHSMWYFYSA-N 1 3 287.407 2.008 20 30 CEEDHO CN(C)CCOc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000609140470 347628088 /nfs/dbraw/zinc/62/80/88/347628088.db2.gz CVLLJEGLUZSEAM-UHFFFAOYSA-N 1 3 275.396 2.410 20 30 CEEDHO CN(CCCO)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000336845271 365920156 /nfs/dbraw/zinc/92/01/56/365920156.db2.gz BLZVBEVFSFVRJL-UHFFFAOYSA-N 1 3 295.471 2.485 20 30 CEEDHO C[N@H+](CCCSCC#N)CCCN1CCCC1 ZINC000337274963 366120257 /nfs/dbraw/zinc/12/02/57/366120257.db2.gz PZVAFMNADVSRAC-UHFFFAOYSA-N 1 3 255.431 2.051 20 30 CEEDHO C[N@@H+](CCCSCC#N)CCCN1CCCC1 ZINC000337274963 366120263 /nfs/dbraw/zinc/12/02/63/366120263.db2.gz PZVAFMNADVSRAC-UHFFFAOYSA-N 1 3 255.431 2.051 20 30 CEEDHO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCCNC1 ZINC000582958735 366981868 /nfs/dbraw/zinc/98/18/68/366981868.db2.gz ZMMCECMBYSLQSW-CJNGLKHVSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@@H](NCCc1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000582958735 366981870 /nfs/dbraw/zinc/98/18/70/366981870.db2.gz ZMMCECMBYSLQSW-CJNGLKHVSA-N 1 3 257.381 2.078 20 30 CEEDHO CCC#C[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000643255217 373001023 /nfs/dbraw/zinc/00/10/23/373001023.db2.gz FWOBJKGUAVAVKG-QGZVFWFLSA-N 1 3 291.483 2.280 20 30 CEEDHO CCC#C[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000643255217 373001029 /nfs/dbraw/zinc/00/10/29/373001029.db2.gz FWOBJKGUAVAVKG-QGZVFWFLSA-N 1 3 291.483 2.280 20 30 CEEDHO CCC#C[C@@H](C)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643255217 373001039 /nfs/dbraw/zinc/00/10/39/373001039.db2.gz FWOBJKGUAVAVKG-QGZVFWFLSA-N 1 3 291.483 2.280 20 30 CEEDHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)ccc1C#N ZINC000353640464 220211559 /nfs/dbraw/zinc/21/15/59/220211559.db2.gz GXACKNSGXZSOCD-DVOMOZLQSA-N 1 3 287.407 2.385 20 30 CEEDHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1C#N ZINC000414800033 375984516 /nfs/dbraw/zinc/98/45/16/375984516.db2.gz KMOURRLGFBIRIL-ZFWWWQNUSA-N 1 3 273.380 2.174 20 30 CEEDHO C[NH+]1CCC(C)(CNCc2cnc3ccc(C#N)cn23)CC1 ZINC000355772020 394526490 /nfs/dbraw/zinc/52/64/90/394526490.db2.gz YGYFKWSLJKLBAS-UHFFFAOYSA-N 1 3 297.406 2.027 20 30 CEEDHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423348595 394895965 /nfs/dbraw/zinc/89/59/65/394895965.db2.gz UJJFFYXNDYGVRK-LLVKDONJSA-N 1 3 259.328 2.268 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC000339097240 394943312 /nfs/dbraw/zinc/94/33/12/394943312.db2.gz XDSKYPYBZBHPGY-VQHPVUNQSA-N 1 3 293.455 2.405 20 30 CEEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC000339097240 394943316 /nfs/dbraw/zinc/94/33/16/394943316.db2.gz XDSKYPYBZBHPGY-VQHPVUNQSA-N 1 3 293.455 2.405 20 30 CEEDHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(C#N)cc1F ZINC000423523683 394945266 /nfs/dbraw/zinc/94/52/66/394945266.db2.gz YZPAJKLDYMWNJF-GVXVVHGQSA-N 1 3 261.344 2.475 20 30 CEEDHO Cc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1C#N ZINC000443971890 395408325 /nfs/dbraw/zinc/40/83/25/395408325.db2.gz WOXOKRXZOQDUGM-HNNXBMFYSA-N 1 3 269.392 2.441 20 30 CEEDHO CC(C#N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000347061877 226010155 /nfs/dbraw/zinc/01/01/55/226010155.db2.gz FPBQGVRYFLDNOQ-ZDUSSCGKSA-N 1 3 271.364 2.058 20 30 CEEDHO CCN(CC)[C@@H](C)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288772772 263106040 /nfs/dbraw/zinc/10/60/40/263106040.db2.gz VCBXPFMKYITQLP-JTQLQIEISA-N 1 3 284.354 2.422 20 30 CEEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)CN(C)C)c1 ZINC000291909238 263126386 /nfs/dbraw/zinc/12/63/86/263126386.db2.gz LXANJVPLKNVSGK-CYBMUJFWSA-N 1 3 262.401 2.228 20 30 CEEDHO C=C(C)CN1CCC(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356265799 266083652 /nfs/dbraw/zinc/08/36/52/266083652.db2.gz FERNTFLFULQKIB-CQSZACIVSA-N 1 3 295.471 2.310 20 30 CEEDHO CC1CCN(CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288764548 328253681 /nfs/dbraw/zinc/25/36/81/328253681.db2.gz SYGNBRGNAOETFX-UHFFFAOYSA-N 1 3 296.365 2.423 20 30 CEEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423019054 330165645 /nfs/dbraw/zinc/16/56/45/330165645.db2.gz TUYAYQFESMVRDA-XUWVNRHRSA-N 1 3 266.429 2.071 20 30 CEEDHO C=CC[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423019054 330165647 /nfs/dbraw/zinc/16/56/47/330165647.db2.gz TUYAYQFESMVRDA-XUWVNRHRSA-N 1 3 266.429 2.071 20 30 CEEDHO C=CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CCCC1 ZINC000423152696 330173052 /nfs/dbraw/zinc/17/30/52/330173052.db2.gz GIHMEJLXYZKZND-RBSFLKMASA-N 1 3 266.429 2.465 20 30 CEEDHO C#C[C@@H](CC)NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000491801656 332355904 /nfs/dbraw/zinc/35/59/04/332355904.db2.gz DDTJKLYSRBWGQE-INIZCTEOSA-N 1 3 298.434 2.177 20 30 CEEDHO C=CCCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000344773309 527199123 /nfs/dbraw/zinc/19/91/23/527199123.db2.gz ONYCLUCDWURLGG-CALCHBBNSA-N 1 3 279.472 2.443 20 30 CEEDHO C=CCCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000344773309 527199130 /nfs/dbraw/zinc/19/91/30/527199130.db2.gz ONYCLUCDWURLGG-CALCHBBNSA-N 1 3 279.472 2.443 20 30 CEEDHO C=C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000353563689 527440170 /nfs/dbraw/zinc/44/01/70/527440170.db2.gz GBCCAITUKPVGTN-OOKSDGMUSA-N 1 3 286.419 2.319 20 30 CEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001022077298 623689656 /nfs/dbraw/zinc/68/96/56/623689656.db2.gz NTHBDIWNPXDRMB-GASCZTMLSA-N 1 3 293.455 2.064 20 30 CEEDHO C[C@@H](CNC(=[NH2+])NC1CCCCC1)N1CCC[C@@H](C)C1 ZINC000104167955 624320197 /nfs/dbraw/zinc/32/01/97/624320197.db2.gz NMBZDRLBSGQQHA-KGLIPLIRSA-N 1 3 280.460 2.344 20 30 CEEDHO C#CCN1CCC(Nc2cc(C)[nH+]c3ccccc23)CC1 ZINC000895803135 630354432 /nfs/dbraw/zinc/35/44/32/630354432.db2.gz CXIHVLBDAGVTGK-UHFFFAOYSA-N 1 3 279.387 2.475 20 30 CEEDHO C#Cc1ccc(C[NH2+]C[C@@H]2CCCN(CC)C2)cc1 ZINC000809612001 632110895 /nfs/dbraw/zinc/11/08/95/632110895.db2.gz SYCYDKOTSOCKNN-KRWDZBQOSA-N 1 3 256.393 2.489 20 30 CEEDHO N#CCOc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817916968 633775730 /nfs/dbraw/zinc/77/57/30/633775730.db2.gz BVDAAGOXWMZPPD-ZBFHGGJFSA-N 1 3 273.380 2.196 20 30 CEEDHO N#CC1CCC(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000903479348 635148606 /nfs/dbraw/zinc/14/86/06/635148606.db2.gz UQQJZUOWXYHKFG-FIYWTHMPSA-N 1 3 289.345 2.385 20 30 CEEDHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1cc(C#N)cs1 ZINC000903825910 635293327 /nfs/dbraw/zinc/29/33/27/635293327.db2.gz DWIUDNSSLFTEBM-LBPRGKRZSA-N 1 3 263.410 2.441 20 30 CEEDHO C#CCCCCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876715357 650408947 /nfs/dbraw/zinc/40/89/47/650408947.db2.gz MQCWZEQHWWRFDY-GOSISDBHSA-N 1 3 291.483 2.282 20 30 CEEDHO C#CCCCCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876715357 650408950 /nfs/dbraw/zinc/40/89/50/650408950.db2.gz MQCWZEQHWWRFDY-GOSISDBHSA-N 1 3 291.483 2.282 20 30 CEEDHO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044534382 639323458 /nfs/dbraw/zinc/32/34/58/639323458.db2.gz IGBZPZCSSGFOOX-HNNXBMFYSA-N 1 3 272.392 2.130 20 30 CEEDHO C=CCC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001004207113 643116771 /nfs/dbraw/zinc/11/67/71/643116771.db2.gz OMGHWXLEUYBCOJ-HUUCEWRRSA-N 1 3 293.455 2.016 20 30 CEEDHO C#CCOc1ccccc1CN1CCC(C[NH+](C)C)CC1 ZINC000768301690 646105114 /nfs/dbraw/zinc/10/51/14/646105114.db2.gz IKWHOKJZLXWFCL-UHFFFAOYSA-N 1 3 286.419 2.472 20 30 CEEDHO c1nncn1N=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781115236 647500920 /nfs/dbraw/zinc/50/09/20/647500920.db2.gz KERHYSAQCUFJPD-HZPDHXFCSA-N 1 3 295.390 2.414 20 30 CEEDHO c1nncn1N=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000781115236 647500922 /nfs/dbraw/zinc/50/09/22/647500922.db2.gz KERHYSAQCUFJPD-HZPDHXFCSA-N 1 3 295.390 2.414 20 30 CEEDHO C=CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@H]1CCCO1 ZINC000883173163 652389105 /nfs/dbraw/zinc/38/91/05/652389105.db2.gz DMAGRUIOSKIPFI-OWCLPIDISA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001267281521 803328424 /nfs/dbraw/zinc/32/84/24/803328424.db2.gz NAGMHWXYMMYSOU-CVEARBPZSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001267281521 803328429 /nfs/dbraw/zinc/32/84/29/803328429.db2.gz NAGMHWXYMMYSOU-CVEARBPZSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCCC[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167835097 804425334 /nfs/dbraw/zinc/42/53/34/804425334.db2.gz ACCIRIGWXDVJRT-UHFFFAOYSA-N 1 3 295.471 2.171 20 30 CEEDHO C=CC[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C1CCCCC1 ZINC001268118269 804456231 /nfs/dbraw/zinc/45/62/31/804456231.db2.gz JBLUVFZAQAMOGX-JKSUJKDBSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001282168101 804545289 /nfs/dbraw/zinc/54/52/89/804545289.db2.gz PNAMEZUFPZLRLK-HUUCEWRRSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001268748097 804958236 /nfs/dbraw/zinc/95/82/36/804958236.db2.gz DJUAYIGYFINBBQ-HOTGVXAUSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001268748097 804958240 /nfs/dbraw/zinc/95/82/40/804958240.db2.gz DJUAYIGYFINBBQ-HOTGVXAUSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCC1 ZINC001270777410 805549108 /nfs/dbraw/zinc/54/91/08/805549108.db2.gz PEFHGVJKXNOYGX-UHFFFAOYSA-N 1 3 293.455 2.065 20 30 CEEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171596959 815202960 /nfs/dbraw/zinc/20/29/60/815202960.db2.gz SKPRRSBKHYDJIB-OAHLLOKOSA-N 1 3 295.471 2.005 20 30 CEEDHO C=CCN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172112901 815299654 /nfs/dbraw/zinc/29/96/54/815299654.db2.gz CTHDBIQZWDQSEU-YVSFHVDLSA-N 1 3 277.456 2.242 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001034736174 809678284 /nfs/dbraw/zinc/67/82/84/809678284.db2.gz RSUTZHAMSGEQDA-JYJNAYRXSA-N 1 3 293.455 2.064 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001121913866 815365743 /nfs/dbraw/zinc/36/57/43/815365743.db2.gz LXWDHLAAFSMKQD-GJZGRUSLSA-N 1 3 295.471 2.297 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001121913866 815365749 /nfs/dbraw/zinc/36/57/49/815365749.db2.gz LXWDHLAAFSMKQD-GJZGRUSLSA-N 1 3 295.471 2.297 20 30 CEEDHO CC[NH+]1C[C@@H]2CN([C@H](C)Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001172313057 815366123 /nfs/dbraw/zinc/36/61/23/815366123.db2.gz OHNDIOLUVQOKLZ-ZTFGCOKTSA-N 1 3 283.419 2.373 20 30 CEEDHO C[C@@H](Cc1ccc(C#N)cc1)N1CCC(C)([NH3+])CC1 ZINC001172297377 815388184 /nfs/dbraw/zinc/38/81/84/815388184.db2.gz OTHLGNDFOIIUCD-ZDUSSCGKSA-N 1 3 257.381 2.302 20 30 CEEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435384 812849240 /nfs/dbraw/zinc/84/92/40/812849240.db2.gz CKNXRBWBINOMKO-CVEARBPZSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435384 812849250 /nfs/dbraw/zinc/84/92/50/812849250.db2.gz CKNXRBWBINOMKO-CVEARBPZSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584530 813293247 /nfs/dbraw/zinc/29/32/47/813293247.db2.gz UYCLXBPLPDGMJA-CABCVRRESA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772901 813323690 /nfs/dbraw/zinc/32/36/90/813323690.db2.gz IYWFVKNPIPLTLY-KBPBESRZSA-N 1 3 283.460 2.166 20 30 CEEDHO CCCCCCCCCC[C@H](O)CNC[C@H]1C[NH2+]CCN1 ZINC001246016789 813661867 /nfs/dbraw/zinc/66/18/67/813661867.db2.gz VIQRUNYAECFFSH-SJORKVTESA-N 1 3 299.503 2.029 20 30 CEEDHO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246025661 813664249 /nfs/dbraw/zinc/66/42/49/813664249.db2.gz ZFWFKWVRJBCOGE-QLFBSQMISA-N 1 3 254.418 2.295 20 30 CEEDHO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246025661 813664256 /nfs/dbraw/zinc/66/42/56/813664256.db2.gz ZFWFKWVRJBCOGE-QLFBSQMISA-N 1 3 254.418 2.295 20 30 CEEDHO C=CCO[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC001116711532 814877403 /nfs/dbraw/zinc/87/74/03/814877403.db2.gz REBPXPMGEXNWJT-OAHLLOKOSA-N 1 3 252.402 2.139 20 30 CEEDHO C=CCO[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC001116711532 814877408 /nfs/dbraw/zinc/87/74/08/814877408.db2.gz REBPXPMGEXNWJT-OAHLLOKOSA-N 1 3 252.402 2.139 20 30 CEEDHO CN1CC2(C1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173337035 815680237 /nfs/dbraw/zinc/68/02/37/815680237.db2.gz WLZCQRCVQNTSGR-UHFFFAOYSA-N 1 3 261.413 2.486 20 30 CEEDHO C[N@@H+]1CC[C@@H]2CN(Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139701787 816088186 /nfs/dbraw/zinc/08/81/86/816088186.db2.gz QTAXLGOEWOSZGT-ZBFHGGJFSA-N 1 3 294.402 2.423 20 30 CEEDHO C[N@H+]1CC[C@@H]2CN(Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139701787 816088197 /nfs/dbraw/zinc/08/81/97/816088197.db2.gz QTAXLGOEWOSZGT-ZBFHGGJFSA-N 1 3 294.402 2.423 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256771 816163458 /nfs/dbraw/zinc/16/34/58/816163458.db2.gz OJDPQCVBWDWPQC-CVEARBPZSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176760361 816472697 /nfs/dbraw/zinc/47/26/97/816472697.db2.gz WATDGYGMPWQFMC-OAHLLOKOSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176759540 816472901 /nfs/dbraw/zinc/47/29/01/816472901.db2.gz JHVNIVFJIPILQQ-HZPDHXFCSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178818268 816804740 /nfs/dbraw/zinc/80/47/40/816804740.db2.gz BJAYKGSAGLJATE-OAHLLOKOSA-N 1 3 283.460 2.169 20 30 CEEDHO C[NH+](C)CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000042393596 362091413 /nfs/dbraw/zinc/09/14/13/362091413.db2.gz AECQXFUAMYUKSJ-UHFFFAOYSA-N 1 3 287.407 2.211 20 30 CEEDHO C=CCCC[C@H](C)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000091617331 344168419 /nfs/dbraw/zinc/16/84/19/344168419.db2.gz SGZJYMMWGJWDPX-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO C[C@H]1C[C@H](CN2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581061 345650745 /nfs/dbraw/zinc/65/07/45/345650745.db2.gz JDJPCGDHZYTUPX-GXTWGEPZSA-N 1 3 255.365 2.262 20 30 CEEDHO N#CCCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602847254 347222700 /nfs/dbraw/zinc/22/27/00/347222700.db2.gz VCRJKXYODVBBGH-UHFFFAOYSA-N 1 3 258.369 2.288 20 30 CEEDHO N#CCCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602847254 347222703 /nfs/dbraw/zinc/22/27/03/347222703.db2.gz VCRJKXYODVBBGH-UHFFFAOYSA-N 1 3 258.369 2.288 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623407468 350011238 /nfs/dbraw/zinc/01/12/38/350011238.db2.gz GYIHVYWXMPUICY-INIZCTEOSA-N 1 3 279.472 2.489 20 30 CEEDHO C=CCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000634999883 369035792 /nfs/dbraw/zinc/03/57/92/369035792.db2.gz BOVWBLRZKKQRPG-UKRRQHHQSA-N 1 3 260.381 2.278 20 30 CEEDHO COc1ccc(NC(=[NH2+])NCCN2CCC[C@@H](C)C2)cc1 ZINC000264076265 371962933 /nfs/dbraw/zinc/96/29/33/371962933.db2.gz FRLJDGGNUGSMIF-CYBMUJFWSA-N 1 3 290.411 2.154 20 30 CEEDHO C=CCNC(=[NH2+])NCc1ccccc1CN(C)C(C)C ZINC000264087256 371967423 /nfs/dbraw/zinc/96/74/23/371967423.db2.gz KDIGITBNWBKFGC-UHFFFAOYSA-N 1 3 274.412 2.117 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367613432 373168282 /nfs/dbraw/zinc/16/82/82/373168282.db2.gz FNHXZXSCENXGGJ-KZNAEPCWSA-N 1 3 291.483 2.489 20 30 CEEDHO C#CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280629231 375266756 /nfs/dbraw/zinc/26/67/56/375266756.db2.gz YTAMLVFQQJMFNV-CALCHBBNSA-N 1 3 254.377 2.074 20 30 CEEDHO C#CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280629231 375266758 /nfs/dbraw/zinc/26/67/58/375266758.db2.gz YTAMLVFQQJMFNV-CALCHBBNSA-N 1 3 254.377 2.074 20 30 CEEDHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399020104 375355473 /nfs/dbraw/zinc/35/54/73/375355473.db2.gz DSDPURPWPGVSAR-CZUORRHYSA-N 1 3 257.381 2.182 20 30 CEEDHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399020104 375355481 /nfs/dbraw/zinc/35/54/81/375355481.db2.gz DSDPURPWPGVSAR-CZUORRHYSA-N 1 3 257.381 2.182 20 30 CEEDHO COc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786764 375969988 /nfs/dbraw/zinc/96/99/88/375969988.db2.gz UUKYRQUBRRQXBR-SJORKVTESA-N 1 3 299.418 2.388 20 30 CEEDHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1C#N ZINC000414800032 375984656 /nfs/dbraw/zinc/98/46/56/375984656.db2.gz KMOURRLGFBIRIL-UKRRQHHQSA-N 1 3 273.380 2.174 20 30 CEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(C)C#N ZINC000431550754 377651074 /nfs/dbraw/zinc/65/10/74/377651074.db2.gz PVAGZUBMPITGFC-IHRRRGAJSA-N 1 3 265.401 2.163 20 30 CEEDHO CC(C)(C#N)CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000122320717 262347661 /nfs/dbraw/zinc/34/76/61/262347661.db2.gz IAJVVQRMIHNRSJ-UHFFFAOYSA-N 1 3 258.369 2.190 20 30 CEEDHO CC1CC[NH+](CCCCNCc2cc(C#N)n(C)c2)CC1 ZINC000190773072 130145927 /nfs/dbraw/zinc/14/59/27/130145927.db2.gz IEHPCMUIGDWEEY-UHFFFAOYSA-N 1 3 288.439 2.498 20 30 CEEDHO C=CCC[C@H](CO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000320661409 394546427 /nfs/dbraw/zinc/54/64/27/394546427.db2.gz QOGQSDPVYLCNKH-SOUVJXGZSA-N 1 3 254.418 2.214 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000339097239 394943346 /nfs/dbraw/zinc/94/33/46/394943346.db2.gz XDSKYPYBZBHPGY-TWMKSMIVSA-N 1 3 293.455 2.405 20 30 CEEDHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000339097239 394943348 /nfs/dbraw/zinc/94/33/48/394943348.db2.gz XDSKYPYBZBHPGY-TWMKSMIVSA-N 1 3 293.455 2.405 20 30 CEEDHO C#Cc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000290089047 395094299 /nfs/dbraw/zinc/09/42/99/395094299.db2.gz MOQOKHYHLQUXSM-INIZCTEOSA-N 1 3 254.377 2.242 20 30 CEEDHO C=CC[C@H]1CC[C@@H]([NH2+]CCCCN2CCN(C)CC2)C1 ZINC000651676845 401370116 /nfs/dbraw/zinc/37/01/16/401370116.db2.gz PRQQADMZTSLODS-DLBZAZTESA-N 1 3 279.472 2.348 20 30 CEEDHO C=CC[C@]1(C(=O)Nc2cccc(CNC)c2)CCC[NH2+]1 ZINC000662399496 415823611 /nfs/dbraw/zinc/82/36/11/415823611.db2.gz OXAHNYVHPKVLQZ-MRXNPFEDSA-N 1 3 273.380 2.043 20 30 CEEDHO C=CC[C@]1(C(=O)Nc2cccc(CN(C)C)c2)CCC[NH2+]1 ZINC000662684474 415931443 /nfs/dbraw/zinc/93/14/43/415931443.db2.gz ZQAUSPIJYIAYCO-QGZVFWFLSA-N 1 3 287.407 2.385 20 30 CEEDHO C[NH+]=C(NCc1ccoc1)NCC1(N(C)C)CCCCC1 ZINC000262871813 262790214 /nfs/dbraw/zinc/79/02/14/262790214.db2.gz DBACQWFDTQEGOA-UHFFFAOYSA-N 1 3 292.427 2.209 20 30 CEEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C#N)c(F)c1 ZINC000421340276 267155320 /nfs/dbraw/zinc/15/53/20/267155320.db2.gz ICGCAJKNPLSTGT-OAHLLOKOSA-N 1 3 293.386 2.144 20 30 CEEDHO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1 ZINC000332380647 274623948 /nfs/dbraw/zinc/62/39/48/274623948.db2.gz GMJNZDKWGRWGEG-WMLDXEAASA-N 1 3 298.434 2.257 20 30 CEEDHO CC(C)c1cccc(NC(=[NH2+])NCCCN(C)C)c1 ZINC000264149571 328158067 /nfs/dbraw/zinc/15/80/67/328158067.db2.gz YWBYPVIVXYBSSW-UHFFFAOYSA-N 1 3 262.401 2.488 20 30 CEEDHO C=CCOc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414801741 328231741 /nfs/dbraw/zinc/23/17/41/328231741.db2.gz UQWITRUCOZITHE-GOEBONIOSA-N 1 3 260.381 2.468 20 30 CEEDHO CC(C#N)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573497543 327186729 /nfs/dbraw/zinc/18/67/29/327186729.db2.gz UOWISWWTTGIRJA-WCQYABFASA-N 1 3 293.798 2.261 20 30 CEEDHO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)N1 ZINC000262682518 330026791 /nfs/dbraw/zinc/02/67/91/330026791.db2.gz WWAIJJBAJOCXLB-DYEKYZERSA-N 1 3 292.452 2.068 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H](C)c2cnccc2N)CC1 ZINC000422983460 330162817 /nfs/dbraw/zinc/16/28/17/330162817.db2.gz ZOQAQIIQSZANDJ-ZDUSSCGKSA-N 1 3 274.412 2.185 20 30 CEEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnccc2N)CC1 ZINC000422983460 330162818 /nfs/dbraw/zinc/16/28/18/330162818.db2.gz ZOQAQIIQSZANDJ-ZDUSSCGKSA-N 1 3 274.412 2.185 20 30 CEEDHO CN1CCCN(CCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000451123826 331016479 /nfs/dbraw/zinc/01/64/79/331016479.db2.gz BISCAYMNRTUKDR-UHFFFAOYSA-N 1 3 292.471 2.076 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925654591 628361385 /nfs/dbraw/zinc/36/13/85/628361385.db2.gz GCXPYWYFQDQCBC-RBGFHDKUSA-N 1 3 278.440 2.334 20 30 CEEDHO C#C[C@@H](C)NCc1ccccc1N1CC[NH+](CCC)CC1 ZINC000809683462 632126710 /nfs/dbraw/zinc/12/67/10/632126710.db2.gz BWGSNANHGRCVGZ-MRXNPFEDSA-N 1 3 285.435 2.330 20 30 CEEDHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817958066 633801034 /nfs/dbraw/zinc/80/10/34/633801034.db2.gz GWYBYQXJSWNNNY-DOMZBBRYSA-N 1 3 261.369 2.223 20 30 CEEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819023581 634043120 /nfs/dbraw/zinc/04/31/20/634043120.db2.gz GVTRQNKJOOCZSC-SFHVURJKSA-N 1 3 299.418 2.222 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000876538162 650311443 /nfs/dbraw/zinc/31/14/43/650311443.db2.gz MUIXCUHPZKDVLD-BXKDBHETSA-N 1 3 267.760 2.115 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855528 638445941 /nfs/dbraw/zinc/44/59/41/638445941.db2.gz HYZKEVJUCKHPHS-PMPSAXMXSA-N 1 3 295.471 2.417 20 30 CEEDHO C[C@H](CC[NH2+]Cc1ccc(N(C)CCC#N)cc1)N(C)C ZINC000895300402 805796555 /nfs/dbraw/zinc/79/65/55/805796555.db2.gz WSPFJJBLNRYOAV-OAHLLOKOSA-N 1 3 288.439 2.466 20 30 CEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480571 802913647 /nfs/dbraw/zinc/91/36/47/802913647.db2.gz LKXAQQMAPAPXTI-UHFFFAOYSA-N 1 3 295.471 2.171 20 30 CEEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001266853069 802943073 /nfs/dbraw/zinc/94/30/73/802943073.db2.gz DSSMFULFFXYHET-HZPDHXFCSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001266853069 802943078 /nfs/dbraw/zinc/94/30/78/802943078.db2.gz DSSMFULFFXYHET-HZPDHXFCSA-N 1 3 295.471 2.119 20 30 CEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)CN(C)CCC)CC1 ZINC001167814755 804360390 /nfs/dbraw/zinc/36/03/90/804360390.db2.gz CQYGJDGIBIMZPM-UHFFFAOYSA-N 1 3 295.471 2.171 20 30 CEEDHO CCCCCCC[NH2+]CCCNC(=O)CN(C)CCC ZINC001171769613 815230129 /nfs/dbraw/zinc/23/01/29/815230129.db2.gz AMZRQVHTAAVHPM-UHFFFAOYSA-N 1 3 285.476 2.395 20 30 CEEDHO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773738 813323634 /nfs/dbraw/zinc/32/36/34/813323634.db2.gz RCPWYJDOZPDLSK-UONOGXRCSA-N 1 3 283.460 2.166 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135980591 813577404 /nfs/dbraw/zinc/57/74/04/813577404.db2.gz QHBYDFVEYIKJJK-GJZGRUSLSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CC[NH+]1CCC(NCc2cnc3c(c2)c(C)nn3C)CC1 ZINC000237844603 344604665 /nfs/dbraw/zinc/60/46/65/344604665.db2.gz TYNBQDKTPOCPAT-UHFFFAOYSA-N 1 3 299.422 2.017 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000602512996 347062521 /nfs/dbraw/zinc/06/25/21/347062521.db2.gz YUEDWBGMWVJYFN-HUUCEWRRSA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000602512996 347062527 /nfs/dbraw/zinc/06/25/27/347062527.db2.gz YUEDWBGMWVJYFN-HUUCEWRRSA-N 1 3 291.439 2.159 20 30 CEEDHO C#CCN1CCC(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000057169713 362573314 /nfs/dbraw/zinc/57/33/14/362573314.db2.gz UKRYNACOCKDTIF-UHFFFAOYSA-N 1 3 299.418 2.032 20 30 CEEDHO N#CC1(c2ccc(CNCCC[NH+]3CCC3)cc2)CC1 ZINC000594934762 345708149 /nfs/dbraw/zinc/70/81/49/345708149.db2.gz FZSHRNJMSJKDQO-UHFFFAOYSA-N 1 3 269.392 2.427 20 30 CEEDHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596652365 346071999 /nfs/dbraw/zinc/07/19/99/346071999.db2.gz SSNLCDTXEZBFSP-BBRMVZONSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(C#N)cc1 ZINC000596652365 346072001 /nfs/dbraw/zinc/07/20/01/346072001.db2.gz SSNLCDTXEZBFSP-BBRMVZONSA-N 1 3 257.381 2.078 20 30 CEEDHO N#Cc1cccc(CNCC2CC[NH+](CC3CC3)CC2)n1 ZINC000602716462 347167434 /nfs/dbraw/zinc/16/74/34/347167434.db2.gz IHNYRMDHZSYHOS-UHFFFAOYSA-N 1 3 284.407 2.165 20 30 CEEDHO COc1cc(C#N)ccc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC000602876595 347235277 /nfs/dbraw/zinc/23/52/77/347235277.db2.gz GVTOJVAGKVHAMN-UHFFFAOYSA-N 1 3 299.418 2.485 20 30 CEEDHO C=CCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000132681051 366163609 /nfs/dbraw/zinc/16/36/09/366163609.db2.gz IBCNVNNPRHMGLB-IYBDPMFKSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000132681051 366163611 /nfs/dbraw/zinc/16/36/11/366163611.db2.gz IBCNVNNPRHMGLB-IYBDPMFKSA-N 1 3 265.445 2.053 20 30 CEEDHO N#C[C@H]1CC[C@H](N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336121167 365438423 /nfs/dbraw/zinc/43/84/23/365438423.db2.gz UAMLDEZHCXQLRL-HOTGVXAUSA-N 1 3 261.413 2.486 20 30 CEEDHO N#C[C@@H]1CCC[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000192880620 369866575 /nfs/dbraw/zinc/86/65/75/369866575.db2.gz VRMQKLQORGXLLR-HLLBOEOZSA-N 1 3 291.439 2.159 20 30 CEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000249044446 371286085 /nfs/dbraw/zinc/28/60/85/371286085.db2.gz VRMQKLQORGXLLR-INMHGKMJSA-N 1 3 291.439 2.159 20 30 CEEDHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)ccc1C#N ZINC000353640470 220213456 /nfs/dbraw/zinc/21/34/56/220213456.db2.gz GXACKNSGXZSOCD-XJKCOSOUSA-N 1 3 287.407 2.385 20 30 CEEDHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423337865 377270132 /nfs/dbraw/zinc/27/01/32/377270132.db2.gz HSHRVMMZVMJGPH-LLVKDONJSA-N 1 3 259.328 2.268 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@@H](NCC2(CC#N)CC2)[C@@H](C)C1 ZINC000430744693 377547658 /nfs/dbraw/zinc/54/76/58/377547658.db2.gz VKZJIPGZMSNCOQ-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO CCOCCC[N@H+]1CC[C@@H](NCC2(CC#N)CC2)[C@@H](C)C1 ZINC000430744693 377547664 /nfs/dbraw/zinc/54/76/64/377547664.db2.gz VKZJIPGZMSNCOQ-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000436291273 377821674 /nfs/dbraw/zinc/82/16/74/377821674.db2.gz PUJLMLBPLIRNTE-FPCVCCKLSA-N 1 3 264.413 2.184 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436291273 377821681 /nfs/dbraw/zinc/82/16/81/377821681.db2.gz PUJLMLBPLIRNTE-FPCVCCKLSA-N 1 3 264.413 2.184 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000436291273 377821686 /nfs/dbraw/zinc/82/16/86/377821686.db2.gz PUJLMLBPLIRNTE-FPCVCCKLSA-N 1 3 264.413 2.184 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000352125905 533119121 /nfs/dbraw/zinc/11/91/21/533119121.db2.gz NSFTTXFGARZCAL-LJIGWXMPSA-N 1 3 299.418 2.419 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000352125905 533119127 /nfs/dbraw/zinc/11/91/27/533119127.db2.gz NSFTTXFGARZCAL-LJIGWXMPSA-N 1 3 299.418 2.419 20 30 CEEDHO CC(C)[C@@H]([NH3+])CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423283259 394889269 /nfs/dbraw/zinc/88/92/69/394889269.db2.gz WTTBSRUGSXAHBH-KRWDZBQOSA-N 1 3 286.423 2.100 20 30 CEEDHO C=CCOCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339043413 394938250 /nfs/dbraw/zinc/93/82/50/394938250.db2.gz GEQOUSLEKIMBGE-GOEBONIOSA-N 1 3 264.413 2.138 20 30 CEEDHO C=CCOCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339043413 394938257 /nfs/dbraw/zinc/93/82/57/394938257.db2.gz GEQOUSLEKIMBGE-GOEBONIOSA-N 1 3 264.413 2.138 20 30 CEEDHO CC(C)[C@@H](CNC(=O)C(C)C#N)[NH+]1CCC(C)CC1 ZINC000345859033 395080997 /nfs/dbraw/zinc/08/09/97/395080997.db2.gz ZLSPVWAVZPKFRC-UONOGXRCSA-N 1 3 265.401 2.019 20 30 CEEDHO C#Cc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000290089048 395093997 /nfs/dbraw/zinc/09/39/97/395093997.db2.gz MOQOKHYHLQUXSM-MRXNPFEDSA-N 1 3 254.377 2.242 20 30 CEEDHO C=CCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346859471 395110609 /nfs/dbraw/zinc/11/06/09/395110609.db2.gz SDVYOSFTACMICH-BHYGNILZSA-N 1 3 272.392 2.421 20 30 CEEDHO N#Cc1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000572951396 395595454 /nfs/dbraw/zinc/59/54/54/395595454.db2.gz MIIAQSAHUJOOCG-RCCFBDPRSA-N 1 3 299.418 2.447 20 30 CEEDHO C=CCN(CC1CCCCC1)C[C@](C)(O)C[NH2+]C ZINC000572049332 395585381 /nfs/dbraw/zinc/58/53/81/395585381.db2.gz SBZLZHKUHUIOQR-OAHLLOKOSA-N 1 3 254.418 2.025 20 30 CEEDHO C=CC[N@H+](CC1CCCCC1)C[C@](C)(O)CNC ZINC000572049332 395585384 /nfs/dbraw/zinc/58/53/84/395585384.db2.gz SBZLZHKUHUIOQR-OAHLLOKOSA-N 1 3 254.418 2.025 20 30 CEEDHO C=CC[N@@H+](CC1CCCCC1)C[C@](C)(O)CNC ZINC000572049332 395585385 /nfs/dbraw/zinc/58/53/85/395585385.db2.gz SBZLZHKUHUIOQR-OAHLLOKOSA-N 1 3 254.418 2.025 20 30 CEEDHO C=CCCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000649382148 396135661 /nfs/dbraw/zinc/13/56/61/396135661.db2.gz OFULKDWUIOYQQK-INIZCTEOSA-N 1 3 265.445 2.055 20 30 CEEDHO C=CCCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000649382148 396135663 /nfs/dbraw/zinc/13/56/63/396135663.db2.gz OFULKDWUIOYQQK-INIZCTEOSA-N 1 3 265.445 2.055 20 30 CEEDHO N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000037408180 173183908 /nfs/dbraw/zinc/18/39/08/173183908.db2.gz DFBZKFALPXMOCY-HNNXBMFYSA-N 1 3 255.365 2.132 20 30 CEEDHO C=CCOCCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000665263832 415658254 /nfs/dbraw/zinc/65/82/54/415658254.db2.gz VVTMKSNMSBZEQM-HOCLYGCPSA-N 1 3 262.397 2.127 20 30 CEEDHO C=CCN(CCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252573 415716622 /nfs/dbraw/zinc/71/66/22/415716622.db2.gz AUWNSHJIANKFRG-QGZVFWFLSA-N 1 3 286.419 2.238 20 30 CEEDHO C=CC[C@]1(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000662710186 415938523 /nfs/dbraw/zinc/93/85/23/415938523.db2.gz FMWKXPYVLKNUKE-HLLBOEOZSA-N 1 3 293.455 2.064 20 30 CEEDHO C[C@H]1CCC[C@](CNC(=[NH2+])NC(C)(C)C)(N(C)C)C1 ZINC000203012748 261357746 /nfs/dbraw/zinc/35/77/46/261357746.db2.gz PPRONOBDNDCOTQ-WFASDCNBSA-N 1 3 268.449 2.200 20 30 CEEDHO C[N@@H+]1CCC[C@@H](CCNCc2cnc3ccc(C#N)cn23)C1 ZINC000459732690 267336717 /nfs/dbraw/zinc/33/67/17/267336717.db2.gz MOHAKGYNRDJFQA-AWEZNQCLSA-N 1 3 297.406 2.027 20 30 CEEDHO C[N@H+]1CCC[C@@H](CCNCc2cnc3ccc(C#N)cn23)C1 ZINC000459732690 267336720 /nfs/dbraw/zinc/33/67/20/267336720.db2.gz MOHAKGYNRDJFQA-AWEZNQCLSA-N 1 3 297.406 2.027 20 30 CEEDHO CC#CC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000306460289 268048272 /nfs/dbraw/zinc/04/82/72/268048272.db2.gz BYAPQQNSEYXBIE-MSOLQXFVSA-N 1 3 268.404 2.464 20 30 CEEDHO CC#CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000306460289 268048276 /nfs/dbraw/zinc/04/82/76/268048276.db2.gz BYAPQQNSEYXBIE-MSOLQXFVSA-N 1 3 268.404 2.464 20 30 CEEDHO N#C[C@@H]1CC[C@@H](N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336121170 294822040 /nfs/dbraw/zinc/82/20/40/294822040.db2.gz UAMLDEZHCXQLRL-HZPDHXFCSA-N 1 3 261.413 2.486 20 30 CEEDHO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCN(C)[C@H]2c2cccs2)N1 ZINC000262682519 330026665 /nfs/dbraw/zinc/02/66/65/330026665.db2.gz WWAIJJBAJOCXLB-MBNYWOFBSA-N 1 3 292.452 2.068 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422832242 330156811 /nfs/dbraw/zinc/15/68/11/330156811.db2.gz KYISELWRPIHLNB-GVDBMIGSSA-N 1 3 279.472 2.273 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422834967 330156856 /nfs/dbraw/zinc/15/68/56/330156856.db2.gz ONLSNHHNKXBBJF-GVDBMIGSSA-N 1 3 279.472 2.415 20 30 CEEDHO C=CCC[C@H](CCC)NC[C@@]1(COC)CCC[NH2+]1 ZINC000423447430 330202663 /nfs/dbraw/zinc/20/26/63/330202663.db2.gz ZQSKGZTXQKYQEJ-LSDHHAIUSA-N 1 3 254.418 2.480 20 30 CEEDHO C=CCN1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000353308315 526421671 /nfs/dbraw/zinc/42/16/71/526421671.db2.gz AHPFNHLEYOVHHD-MRXNPFEDSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCN1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353308315 526421674 /nfs/dbraw/zinc/42/16/74/526421674.db2.gz AHPFNHLEYOVHHD-MRXNPFEDSA-N 1 3 293.455 2.018 20 30 CEEDHO C#C[C@@H](C)N(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000775184002 628040657 /nfs/dbraw/zinc/04/06/57/628040657.db2.gz RNQGWIGBXICZHB-CQSZACIVSA-N 1 3 260.381 2.081 20 30 CEEDHO Cc1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1C#N ZINC000926960153 632386366 /nfs/dbraw/zinc/38/63/66/632386366.db2.gz FEVMGQUOGZMXBX-GOSISDBHSA-N 1 3 299.418 2.210 20 30 CEEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000817960024 633803486 /nfs/dbraw/zinc/80/34/86/633803486.db2.gz WOVQRCSOCSSVEV-BBRMVZONSA-N 1 3 260.381 2.333 20 30 CEEDHO N#Cc1ccc([C@@H](O)C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000819278583 634125977 /nfs/dbraw/zinc/12/59/77/634125977.db2.gz RPROMNALVDUYKS-ABHNRTSZSA-N 1 3 299.418 2.198 20 30 CEEDHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(C#N)c1 ZINC000902813599 634847980 /nfs/dbraw/zinc/84/79/80/634847980.db2.gz DRKSWZQQLHAORY-MRXNPFEDSA-N 1 3 287.407 2.056 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001001010830 642675911 /nfs/dbraw/zinc/67/59/11/642675911.db2.gz XJHVMKJMXHQAMT-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C)CN(C)C ZINC000922138694 642899122 /nfs/dbraw/zinc/89/91/22/642899122.db2.gz CAHPHVREBZMVBB-GFCCVEGCSA-N 1 3 259.397 2.462 20 30 CEEDHO N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000873239144 649605592 /nfs/dbraw/zinc/60/55/92/649605592.db2.gz OSXOEZMLHWNXCK-RHSMWYFYSA-N 1 3 298.434 2.244 20 30 CEEDHO C=CC[C@H](C)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000878321440 651066281 /nfs/dbraw/zinc/06/62/81/651066281.db2.gz DVZOXHFCVGZPLL-INIZCTEOSA-N 1 3 279.472 2.441 20 30 CEEDHO CN1CC[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579909 651326780 /nfs/dbraw/zinc/32/67/80/651326780.db2.gz QDCFMOCGXKXRDG-IAGOWNOFSA-N 1 3 269.392 2.127 20 30 CEEDHO CN1CC[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579909 651326781 /nfs/dbraw/zinc/32/67/81/651326781.db2.gz QDCFMOCGXKXRDG-IAGOWNOFSA-N 1 3 269.392 2.127 20 30 CEEDHO C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001271016498 805715832 /nfs/dbraw/zinc/71/58/32/805715832.db2.gz HCCLEUTYCDNHBD-KRWDZBQOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001271016498 805715837 /nfs/dbraw/zinc/71/58/37/805715837.db2.gz HCCLEUTYCDNHBD-KRWDZBQOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001088330894 806123804 /nfs/dbraw/zinc/12/38/04/806123804.db2.gz KTDNSOHFUMUIST-HOTGVXAUSA-N 1 3 295.471 2.119 20 30 CEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001269355046 805139053 /nfs/dbraw/zinc/13/90/53/805139053.db2.gz DGBRPJRRZJNNJL-INIZCTEOSA-N 1 3 295.471 2.217 20 30 CEEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001269355046 805139056 /nfs/dbraw/zinc/13/90/56/805139056.db2.gz DGBRPJRRZJNNJL-INIZCTEOSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001121913867 815366261 /nfs/dbraw/zinc/36/62/61/815366261.db2.gz LXWDHLAAFSMKQD-HUUCEWRRSA-N 1 3 295.471 2.297 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001121913867 815366267 /nfs/dbraw/zinc/36/62/67/815366267.db2.gz LXWDHLAAFSMKQD-HUUCEWRRSA-N 1 3 295.471 2.297 20 30 CEEDHO CN(C)/C=N/c1ccc(NCC[C@H]2CCC[NH2+]2)cc1C#N ZINC001169567301 811571116 /nfs/dbraw/zinc/57/11/16/811571116.db2.gz KBXFIYSBYDGUJU-MQMKENTISA-N 1 3 285.395 2.334 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129949957 812520262 /nfs/dbraw/zinc/52/02/62/812520262.db2.gz LLGANJCJOWRXIB-HNNXBMFYSA-N 1 3 285.476 2.249 20 30 CEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052428185 812990022 /nfs/dbraw/zinc/99/00/22/812990022.db2.gz FNIMEHVQRYYKGZ-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001052428185 812990029 /nfs/dbraw/zinc/99/00/29/812990029.db2.gz FNIMEHVQRYYKGZ-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135477664 813446880 /nfs/dbraw/zinc/44/68/80/813446880.db2.gz VVNXLZGOZNWNJD-UONOGXRCSA-N 1 3 283.460 2.023 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706470 813508464 /nfs/dbraw/zinc/50/84/64/813508464.db2.gz VBALVBIYTQFHCR-LSDHHAIUSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCCCCCC[C@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246026626 813665157 /nfs/dbraw/zinc/66/51/57/813665157.db2.gz WLJSLQRIOSHSQR-IRXDYDNUSA-N 1 3 298.471 2.050 20 30 CEEDHO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246026626 813665163 /nfs/dbraw/zinc/66/51/63/813665163.db2.gz WLJSLQRIOSHSQR-IRXDYDNUSA-N 1 3 298.471 2.050 20 30 CEEDHO C=CCOC1CCC([N@@H+]2CCC[C@@H](N)CC2)CC1 ZINC001246544312 813966704 /nfs/dbraw/zinc/96/67/04/813966704.db2.gz XMDCKYSGFUNNNF-WLYUNCDWSA-N 1 3 252.402 2.313 20 30 CEEDHO C=CCOC1CCC([N@H+]2CCC[C@@H](N)CC2)CC1 ZINC001246544312 813966712 /nfs/dbraw/zinc/96/67/12/813966712.db2.gz XMDCKYSGFUNNNF-WLYUNCDWSA-N 1 3 252.402 2.313 20 30 CEEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001100460243 814130616 /nfs/dbraw/zinc/13/06/16/814130616.db2.gz WHENKYHPJBENGZ-UHFFFAOYSA-N 1 3 295.471 2.167 20 30 CEEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647368 814165785 /nfs/dbraw/zinc/16/57/85/814165785.db2.gz QXAVOWGRWHBMQB-UYSNPLJNSA-N 1 3 295.471 2.023 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115734244 814752274 /nfs/dbraw/zinc/75/22/74/814752274.db2.gz DTJHJWFENZKZIQ-HNNXBMFYSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609002 816883801 /nfs/dbraw/zinc/88/38/01/816883801.db2.gz BJAYKGSAGLJATE-HNNXBMFYSA-N 1 3 283.460 2.169 20 30 CEEDHO C=CCOCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668581587 539203891 /nfs/dbraw/zinc/20/38/91/539203891.db2.gz HJMHYLZQERSHKO-UHFFFAOYSA-N 1 3 275.396 2.233 20 30 CEEDHO N#Cc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130554362 344353827 /nfs/dbraw/zinc/35/38/27/344353827.db2.gz FXYZIXCOGHJHRE-XHSDSOJGSA-N 1 3 255.365 2.117 20 30 CEEDHO N#Cc1ccc(CCN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000595895417 345908539 /nfs/dbraw/zinc/90/85/39/345908539.db2.gz LYQDVEVNCMMOQW-MRXNPFEDSA-N 1 3 257.381 2.304 20 30 CEEDHO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2CCN)cc1 ZINC000595895417 345908541 /nfs/dbraw/zinc/90/85/41/345908541.db2.gz LYQDVEVNCMMOQW-MRXNPFEDSA-N 1 3 257.381 2.304 20 30 CEEDHO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2CCN)cc1 ZINC000595895417 345908544 /nfs/dbraw/zinc/90/85/44/345908544.db2.gz LYQDVEVNCMMOQW-MRXNPFEDSA-N 1 3 257.381 2.304 20 30 CEEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596097536 345939434 /nfs/dbraw/zinc/93/94/34/345939434.db2.gz YUKPFOAOKBETHQ-BZUAXINKSA-N 1 3 261.413 2.390 20 30 CEEDHO N#C[C@@H]1CC[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596097536 345939436 /nfs/dbraw/zinc/93/94/36/345939436.db2.gz YUKPFOAOKBETHQ-BZUAXINKSA-N 1 3 261.413 2.390 20 30 CEEDHO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000596097536 345939438 /nfs/dbraw/zinc/93/94/38/345939438.db2.gz YUKPFOAOKBETHQ-BZUAXINKSA-N 1 3 261.413 2.390 20 30 CEEDHO N#Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000596653314 346072646 /nfs/dbraw/zinc/07/26/46/346072646.db2.gz ZZRFKDOZFOXNCD-HZPDHXFCSA-N 1 3 257.381 2.208 20 30 CEEDHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724128 346408716 /nfs/dbraw/zinc/40/87/16/346408716.db2.gz IPTOIKMCKINVBZ-HOTGVXAUSA-N 1 3 295.471 2.245 20 30 CEEDHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724128 346408718 /nfs/dbraw/zinc/40/87/18/346408718.db2.gz IPTOIKMCKINVBZ-HOTGVXAUSA-N 1 3 295.471 2.245 20 30 CEEDHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724128 346408720 /nfs/dbraw/zinc/40/87/20/346408720.db2.gz IPTOIKMCKINVBZ-HOTGVXAUSA-N 1 3 295.471 2.245 20 30 CEEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOCCC[NH3+] ZINC000600709585 346675200 /nfs/dbraw/zinc/67/52/00/346675200.db2.gz LFVFERDXYRQXQH-KRWDZBQOSA-N 1 3 287.407 2.281 20 30 CEEDHO CC[N@H+](CCC1CCN(CC#CCOC)CC1)CC1CC1 ZINC000678469775 541138730 /nfs/dbraw/zinc/13/87/30/541138730.db2.gz GACHYSUHBYPSNB-UHFFFAOYSA-N 1 3 292.467 2.470 20 30 CEEDHO CC[N@@H+](CCC1CCN(CC#CCOC)CC1)CC1CC1 ZINC000678469775 541138733 /nfs/dbraw/zinc/13/87/33/541138733.db2.gz GACHYSUHBYPSNB-UHFFFAOYSA-N 1 3 292.467 2.470 20 30 CEEDHO C=CCCC[C@H](C)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678717356 541165569 /nfs/dbraw/zinc/16/55/69/541165569.db2.gz PFVQZCHXWXEYPS-DLBZAZTESA-N 1 3 279.472 2.443 20 30 CEEDHO C=CCCC[C@H](C)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678717356 541165572 /nfs/dbraw/zinc/16/55/72/541165572.db2.gz PFVQZCHXWXEYPS-DLBZAZTESA-N 1 3 279.472 2.443 20 30 CEEDHO N#CC1CCN(CCCC[NH+]2CCC(C#N)CC2)CC1 ZINC000157676819 366847274 /nfs/dbraw/zinc/84/72/74/366847274.db2.gz JBGVMVYSSMWRKS-UHFFFAOYSA-N 1 3 274.412 2.238 20 30 CEEDHO C=CCOCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000348047907 368873808 /nfs/dbraw/zinc/87/38/08/368873808.db2.gz GJENGOCLWHCFIS-INIZCTEOSA-N 1 3 266.429 2.387 20 30 CEEDHO C=CCOCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000348047907 368873812 /nfs/dbraw/zinc/87/38/12/368873812.db2.gz GJENGOCLWHCFIS-INIZCTEOSA-N 1 3 266.429 2.387 20 30 CEEDHO C=C(C)C[NH+]1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC000635530434 369206657 /nfs/dbraw/zinc/20/66/57/369206657.db2.gz BINSXOBRWCWQAD-UHFFFAOYSA-N 1 3 295.471 2.121 20 30 CEEDHO C[C@H](CCC#N)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351413569 369634836 /nfs/dbraw/zinc/63/48/36/369634836.db2.gz MDJKIIYWSQNJMT-OAGGEKHMSA-N 1 3 293.455 2.500 20 30 CEEDHO CCN1CC[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562101 371924560 /nfs/dbraw/zinc/92/45/60/371924560.db2.gz AKVIHGDDTODDGE-DZGCQCFKSA-N 1 3 274.412 2.201 20 30 CEEDHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562101 371924566 /nfs/dbraw/zinc/92/45/66/371924566.db2.gz AKVIHGDDTODDGE-DZGCQCFKSA-N 1 3 274.412 2.201 20 30 CEEDHO C=C1CCN(CCOCC[NH+]2CCC(=C)CC2)CC1 ZINC000267398051 372073049 /nfs/dbraw/zinc/07/30/49/372073049.db2.gz FHTVGDFNCKBMII-UHFFFAOYSA-N 1 3 264.413 2.307 20 30 CEEDHO CC#CC[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000641767801 372708698 /nfs/dbraw/zinc/70/86/98/372708698.db2.gz QWWLXVCSZHPGAJ-MRXNPFEDSA-N 1 3 278.440 2.147 20 30 CEEDHO CC(C#N)C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000428451133 377494009 /nfs/dbraw/zinc/49/40/09/377494009.db2.gz YNAGSMRMLYUVKL-CYBMUJFWSA-N 1 3 265.401 2.259 20 30 CEEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000305071072 379620588 /nfs/dbraw/zinc/62/05/88/379620588.db2.gz JIZTUTPSRVQBLL-HZPDHXFCSA-N 1 3 266.429 2.121 20 30 CEEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000305071072 379620593 /nfs/dbraw/zinc/62/05/93/379620593.db2.gz JIZTUTPSRVQBLL-HZPDHXFCSA-N 1 3 266.429 2.121 20 30 CEEDHO CN(C)[C@@H]1CCC[N@H+](CCCSCC#N)CC1 ZINC000372988670 395051339 /nfs/dbraw/zinc/05/13/39/395051339.db2.gz FPPYGQTYQKKPSP-CYBMUJFWSA-N 1 3 255.431 2.049 20 30 CEEDHO CN(C)[C@@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000372988670 395051343 /nfs/dbraw/zinc/05/13/43/395051343.db2.gz FPPYGQTYQKKPSP-CYBMUJFWSA-N 1 3 255.431 2.049 20 30 CEEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000651709488 401376149 /nfs/dbraw/zinc/37/61/49/401376149.db2.gz YMGUAAAIHBRDMP-IKGGRYGDSA-N 1 3 291.483 2.489 20 30 CEEDHO C=C(C)COCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253157916 264322589 /nfs/dbraw/zinc/32/25/89/264322589.db2.gz QKGMDFKHBJMAPI-RBSFLKMASA-N 1 3 252.402 2.089 20 30 CEEDHO N#CCCCN1CCC2(CC[N@H+](CCCC#N)C2)CC1 ZINC000369948832 267278329 /nfs/dbraw/zinc/27/83/29/267278329.db2.gz REFMAWGPXBSTOH-UHFFFAOYSA-N 1 3 274.412 2.382 20 30 CEEDHO N#CCCCN1CCC2(CC[N@@H+](CCCC#N)C2)CC1 ZINC000369948832 267278331 /nfs/dbraw/zinc/27/83/31/267278331.db2.gz REFMAWGPXBSTOH-UHFFFAOYSA-N 1 3 274.412 2.382 20 30 CEEDHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000332399914 274605106 /nfs/dbraw/zinc/60/51/06/274605106.db2.gz VALDELMZLDMRDY-KSSFIOAISA-N 1 3 298.434 2.115 20 30 CEEDHO CC#CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177494440 329184916 /nfs/dbraw/zinc/18/49/16/329184916.db2.gz GTCGDGZORVURSX-HOTGVXAUSA-N 1 3 278.440 2.221 20 30 CEEDHO CN(C)C(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000178583631 329200975 /nfs/dbraw/zinc/20/09/75/329200975.db2.gz CEZNZLNMMZYBEC-WCQYABFASA-N 1 3 280.441 2.007 20 30 CEEDHO CC[NH+]=C(NCC1CCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262427128 330009837 /nfs/dbraw/zinc/00/98/37/330009837.db2.gz CXBRNRIAWIPXQR-MRXNPFEDSA-N 1 3 292.471 2.312 20 30 CEEDHO C=C(C)CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000981387150 613254408 /nfs/dbraw/zinc/25/44/08/613254408.db2.gz BLRPFFJIIAAYLR-INIZCTEOSA-N 1 3 295.471 2.073 20 30 CEEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000981387150 613254410 /nfs/dbraw/zinc/25/44/10/613254410.db2.gz BLRPFFJIIAAYLR-INIZCTEOSA-N 1 3 295.471 2.073 20 30 CEEDHO C[NH+]1CCC2(CCN(Cc3cncc(C#N)c3)CC2)CC1 ZINC000931467413 628603991 /nfs/dbraw/zinc/60/39/91/628603991.db2.gz JLASNXDFJQOXJT-UHFFFAOYSA-N 1 3 284.407 2.261 20 30 CEEDHO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000900175186 633583455 /nfs/dbraw/zinc/58/34/55/633583455.db2.gz UPQPOSODPYKQSD-UHFFFAOYSA-N 1 3 275.396 2.195 20 30 CEEDHO C=C(Cl)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817288481 633620513 /nfs/dbraw/zinc/62/05/13/633620513.db2.gz YKZJCXJWIFOFRQ-UHFFFAOYSA-N 1 3 285.863 2.231 20 30 CEEDHO C=C(Cl)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817288481 633620516 /nfs/dbraw/zinc/62/05/16/633620516.db2.gz YKZJCXJWIFOFRQ-UHFFFAOYSA-N 1 3 285.863 2.231 20 30 CEEDHO N#CCOc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817916966 633775593 /nfs/dbraw/zinc/77/55/93/633775593.db2.gz BVDAAGOXWMZPPD-GOEBONIOSA-N 1 3 273.380 2.196 20 30 CEEDHO COCC[NH2+]C1CCN(CC2CCC(C#N)CC2)CC1 ZINC000903460463 635126175 /nfs/dbraw/zinc/12/61/75/635126175.db2.gz DBDHPILTGNCZET-UHFFFAOYSA-N 1 3 279.428 2.017 20 30 CEEDHO C=C(CC[NH+](C)C)C(=O)N(CCC)CCN1CCCCC1 ZINC000908154613 637242326 /nfs/dbraw/zinc/24/23/26/637242326.db2.gz CVEZEBVAENSBPJ-UHFFFAOYSA-N 1 3 295.471 2.219 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[N@@H+]1CCC[C@@H]1C ZINC000877154692 650599786 /nfs/dbraw/zinc/59/97/86/650599786.db2.gz XDWAUEKULUVVJR-CABCVRRESA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[N@H+]1CCC[C@@H]1C ZINC000877154692 650599789 /nfs/dbraw/zinc/59/97/89/650599789.db2.gz XDWAUEKULUVVJR-CABCVRRESA-N 1 3 279.428 2.159 20 30 CEEDHO C=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000999152886 642464030 /nfs/dbraw/zinc/46/40/30/642464030.db2.gz MTBWEUUIZVOMGL-HNNXBMFYSA-N 1 3 293.455 2.018 20 30 CEEDHO N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000873239143 649605534 /nfs/dbraw/zinc/60/55/34/649605534.db2.gz OSXOEZMLHWNXCK-PBHICJAKSA-N 1 3 298.434 2.244 20 30 CEEDHO CC1(N2CCC2)CC[NH+](CCCSCC#N)CC1 ZINC000880472893 651446863 /nfs/dbraw/zinc/44/68/63/651446863.db2.gz HRGYYOHJTUFIBG-UHFFFAOYSA-N 1 3 267.442 2.193 20 30 CEEDHO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001271261631 805904900 /nfs/dbraw/zinc/90/49/00/805904900.db2.gz OTDXDKYKEAASQB-CVEARBPZSA-N 1 3 295.471 2.166 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001088383843 806178480 /nfs/dbraw/zinc/17/84/80/806178480.db2.gz NUFPVCCHTIJBDW-CVEARBPZSA-N 1 3 295.471 2.264 20 30 CEEDHO CN(CCCc1cccc(C#N)c1)CCC[NH+](C)C ZINC001208843896 802420936 /nfs/dbraw/zinc/42/09/36/802420936.db2.gz ARNRVHAVZUDFEB-UHFFFAOYSA-N 1 3 259.397 2.374 20 30 CEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038240509 803178427 /nfs/dbraw/zinc/17/84/27/803178427.db2.gz QJNPYOBIOBZFSF-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038240509 803178431 /nfs/dbraw/zinc/17/84/31/803178431.db2.gz QJNPYOBIOBZFSF-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027918148 804341971 /nfs/dbraw/zinc/34/19/71/804341971.db2.gz KQUPUYDNVNKYPO-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027918148 804341980 /nfs/dbraw/zinc/34/19/80/804341980.db2.gz KQUPUYDNVNKYPO-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001268055901 804351499 /nfs/dbraw/zinc/35/14/99/804351499.db2.gz PZQHYTYZBGBNSO-OAHLLOKOSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001268748099 804957673 /nfs/dbraw/zinc/95/76/73/804957673.db2.gz DJUAYIGYFINBBQ-HZPDHXFCSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001268748099 804957679 /nfs/dbraw/zinc/95/76/79/804957679.db2.gz DJUAYIGYFINBBQ-HZPDHXFCSA-N 1 3 295.471 2.262 20 30 CEEDHO C=C(C)C[N@@H+](C)CCN(C(=O)[C@H](CC)N(C)C)C(C)C ZINC001284552905 805202165 /nfs/dbraw/zinc/20/21/65/805202165.db2.gz ABWLBUOHCFSUSI-HNNXBMFYSA-N 1 3 283.460 2.072 20 30 CEEDHO C=C(C)C[N@H+](C)CCN(C(=O)[C@H](CC)N(C)C)C(C)C ZINC001284552905 805202174 /nfs/dbraw/zinc/20/21/74/805202174.db2.gz ABWLBUOHCFSUSI-HNNXBMFYSA-N 1 3 283.460 2.072 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001122103190 807601482 /nfs/dbraw/zinc/60/14/82/807601482.db2.gz WKEBUPXTCYJILV-OAHLLOKOSA-N 1 3 293.455 2.004 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)CN(C)CCC)CCCCC1 ZINC001120045980 815191492 /nfs/dbraw/zinc/19/14/92/815191492.db2.gz LFCMJFRHWMYNMT-UHFFFAOYSA-N 1 3 295.471 2.313 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001122002868 815376931 /nfs/dbraw/zinc/37/69/31/815376931.db2.gz LNKNIBIVZGMAPT-ILXRZTDVSA-N 1 3 281.444 2.001 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001122002868 815376938 /nfs/dbraw/zinc/37/69/38/815376938.db2.gz LNKNIBIVZGMAPT-ILXRZTDVSA-N 1 3 281.444 2.001 20 30 CEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132152425 812792900 /nfs/dbraw/zinc/79/29/00/812792900.db2.gz CDIFYGCOLJQGMZ-GJZGRUSLSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132152425 812792906 /nfs/dbraw/zinc/79/29/06/812792906.db2.gz CDIFYGCOLJQGMZ-GJZGRUSLSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135475474 813442701 /nfs/dbraw/zinc/44/27/01/813442701.db2.gz AVZICTCMEZYCTM-HUUCEWRRSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135980592 813577090 /nfs/dbraw/zinc/57/70/90/813577090.db2.gz QHBYDFVEYIKJJK-HUUCEWRRSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146603686 814299961 /nfs/dbraw/zinc/29/99/61/814299961.db2.gz YLMXQXNGWRVBIP-GJZGRUSLSA-N 1 3 283.460 2.166 20 30 CEEDHO N#CC1(C[NH2+]C2CCC(N3CCOCC3)CC2)CCCC1 ZINC001256676443 814551374 /nfs/dbraw/zinc/55/13/74/814551374.db2.gz CWHANEYDONYNQQ-UHFFFAOYSA-N 1 3 291.439 2.303 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179498644 816871537 /nfs/dbraw/zinc/87/15/37/816871537.db2.gz AYEDYFDQEKRWGL-MRXNPFEDSA-N 1 3 297.487 2.415 20 30 CEEDHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000333281205 539322785 /nfs/dbraw/zinc/32/27/85/539322785.db2.gz MLRNCKFXOTVOAL-KDOFPFPSSA-N 1 3 298.434 2.257 20 30 CEEDHO CC[C@H](C)NC(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000060344338 343656689 /nfs/dbraw/zinc/65/66/89/343656689.db2.gz IGODKJSOTIVEQY-AWEZNQCLSA-N 1 3 276.428 2.211 20 30 CEEDHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000591581805 345266693 /nfs/dbraw/zinc/26/66/93/345266693.db2.gz WFYWMSZDDRXTAP-ABAIWWIYSA-N 1 3 273.355 2.490 20 30 CEEDHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccc(C#N)cc1F ZINC000593319072 345465970 /nfs/dbraw/zinc/46/59/70/345465970.db2.gz JCOHRXMAQMIJKR-LLVKDONJSA-N 1 3 261.344 2.477 20 30 CEEDHO CC(C)[N@@H+]1CC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654472 347125575 /nfs/dbraw/zinc/12/55/75/347125575.db2.gz BVONIFKKQIWWBC-HZPDHXFCSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C)[N@H+]1CC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654472 347125579 /nfs/dbraw/zinc/12/55/79/347125579.db2.gz BVONIFKKQIWWBC-HZPDHXFCSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654472 347125583 /nfs/dbraw/zinc/12/55/83/347125583.db2.gz BVONIFKKQIWWBC-HZPDHXFCSA-N 1 3 293.455 2.405 20 30 CEEDHO C=CCN1CCC([NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623407835 350010959 /nfs/dbraw/zinc/01/09/59/350010959.db2.gz ZAOGTCXTBYLWEC-HNNXBMFYSA-N 1 3 265.445 2.099 20 30 CEEDHO CCC[NH+]1CCC(N(C)CCCSCC#N)CC1 ZINC000080737636 363681355 /nfs/dbraw/zinc/68/13/55/363681355.db2.gz QMWJFHOOPBNOPM-UHFFFAOYSA-N 1 3 269.458 2.439 20 30 CEEDHO COCC#CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000677819653 541047001 /nfs/dbraw/zinc/04/70/01/541047001.db2.gz IMFNKIUHIQPDKM-UHFFFAOYSA-N 1 3 278.440 2.224 20 30 CEEDHO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCCNC1 ZINC000582958737 366981783 /nfs/dbraw/zinc/98/17/83/366981783.db2.gz ZMMCECMBYSLQSW-XJKSGUPXSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@H](NCCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000582958737 366981785 /nfs/dbraw/zinc/98/17/85/366981785.db2.gz ZMMCECMBYSLQSW-XJKSGUPXSA-N 1 3 257.381 2.078 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000264045826 371957289 /nfs/dbraw/zinc/95/72/89/371957289.db2.gz KQOPZOAXKSDOLN-KBPBESRZSA-N 1 3 292.427 2.065 20 30 CEEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379720527 375155552 /nfs/dbraw/zinc/15/55/52/375155552.db2.gz ZATSMANWZBLEDG-IIAWOOMASA-N 1 3 285.391 2.315 20 30 CEEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379720527 375155556 /nfs/dbraw/zinc/15/55/56/375155556.db2.gz ZATSMANWZBLEDG-IIAWOOMASA-N 1 3 285.391 2.315 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000332384419 377583704 /nfs/dbraw/zinc/58/37/04/377583704.db2.gz IOGMFKVCVWAPFD-RDJZCZTQSA-N 1 3 298.434 2.387 20 30 CEEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000305071074 379620656 /nfs/dbraw/zinc/62/06/56/379620656.db2.gz JIZTUTPSRVQBLL-JKSUJKDBSA-N 1 3 266.429 2.121 20 30 CEEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000305071074 379620664 /nfs/dbraw/zinc/62/06/64/379620664.db2.gz JIZTUTPSRVQBLL-JKSUJKDBSA-N 1 3 266.429 2.121 20 30 CEEDHO C=CCC[C@H](CO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000320661404 394546393 /nfs/dbraw/zinc/54/63/93/394546393.db2.gz QOGQSDPVYLCNKH-RRFJBIMHSA-N 1 3 254.418 2.214 20 30 CEEDHO C=CCOCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339043414 394938174 /nfs/dbraw/zinc/93/81/74/394938174.db2.gz GEQOUSLEKIMBGE-HOCLYGCPSA-N 1 3 264.413 2.138 20 30 CEEDHO C=CCOCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339043414 394938178 /nfs/dbraw/zinc/93/81/78/394938178.db2.gz GEQOUSLEKIMBGE-HOCLYGCPSA-N 1 3 264.413 2.138 20 30 CEEDHO C=CCOCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339083188 394941583 /nfs/dbraw/zinc/94/15/83/394941583.db2.gz DHMXXLBWRGTQJR-GJZGRUSLSA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCOCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339083188 394941589 /nfs/dbraw/zinc/94/15/89/394941589.db2.gz DHMXXLBWRGTQJR-GJZGRUSLSA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCOCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000339083188 394941592 /nfs/dbraw/zinc/94/15/92/394941592.db2.gz DHMXXLBWRGTQJR-GJZGRUSLSA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCN1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367619897 394966999 /nfs/dbraw/zinc/96/69/99/394966999.db2.gz PSJFEKVBTDHPKL-BRWVUGGUSA-N 1 3 277.456 2.099 20 30 CEEDHO C=CCN1CCC([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CC1 ZINC000367619881 394967052 /nfs/dbraw/zinc/96/70/52/394967052.db2.gz PSJFEKVBTDHPKL-BBWFWOEESA-N 1 3 277.456 2.099 20 30 CEEDHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(C)C#N ZINC000427447709 395112081 /nfs/dbraw/zinc/11/20/81/395112081.db2.gz AAPROQRHRLFFCE-NSHDSACASA-N 1 3 293.333 2.269 20 30 CEEDHO C=C(CC)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000348832943 395152562 /nfs/dbraw/zinc/15/25/62/395152562.db2.gz KQEFMTLLPGVFAK-UHFFFAOYSA-N 1 3 279.472 2.302 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000335918861 228028702 /nfs/dbraw/zinc/02/87/02/228028702.db2.gz CWGNNYWQVGXHGL-CABCVRRESA-N 1 3 277.412 2.117 20 30 CEEDHO CN(C)CC(C)(C)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288752227 328253500 /nfs/dbraw/zinc/25/35/00/328253500.db2.gz QYKBYQNQHFWULG-UHFFFAOYSA-N 1 3 284.354 2.279 20 30 CEEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)C(C)C ZINC000422827689 330156458 /nfs/dbraw/zinc/15/64/58/330156458.db2.gz FAWXOZPRSLGXSB-HRCADAONSA-N 1 3 265.445 2.154 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422827689 330156459 /nfs/dbraw/zinc/15/64/59/330156459.db2.gz FAWXOZPRSLGXSB-HRCADAONSA-N 1 3 265.445 2.154 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423095697 330169781 /nfs/dbraw/zinc/16/97/81/330169781.db2.gz MZVZKZRFTBQEEB-TUVASFSCSA-N 1 3 252.402 2.088 20 30 CEEDHO C=CC[NH2+]C1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000963912583 613859189 /nfs/dbraw/zinc/85/91/89/613859189.db2.gz MWSVKUAJIMQCGN-FHERZECASA-N 1 3 293.455 2.016 20 30 CEEDHO CN(CCNC(=[NH2+])NC1CCCCC1)C1CCCCC1 ZINC000104168525 624320135 /nfs/dbraw/zinc/32/01/35/624320135.db2.gz PUJLRJOYWALMNU-UHFFFAOYSA-N 1 3 280.460 2.488 20 30 CEEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001022808213 624630912 /nfs/dbraw/zinc/63/09/12/624630912.db2.gz QZIOWQNCCPIUHA-XHSDSOJGSA-N 1 3 293.455 2.062 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[C@H](C)[NH+](C)C ZINC000895292228 630083467 /nfs/dbraw/zinc/08/34/67/630083467.db2.gz NPLDUARTCUNZAP-KGLIPLIRSA-N 1 3 267.417 2.015 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)N(C)C ZINC000895292228 630083469 /nfs/dbraw/zinc/08/34/69/630083469.db2.gz NPLDUARTCUNZAP-KGLIPLIRSA-N 1 3 267.417 2.015 20 30 CEEDHO C#CCCOc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000809730086 632134332 /nfs/dbraw/zinc/13/43/32/632134332.db2.gz ZULONLYWJHWWQB-UHFFFAOYSA-N 1 3 274.408 2.472 20 30 CEEDHO C#CCCOc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000809730086 632134339 /nfs/dbraw/zinc/13/43/39/632134339.db2.gz ZULONLYWJHWWQB-UHFFFAOYSA-N 1 3 274.408 2.472 20 30 CEEDHO C[C@H](C#N)OCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801937815 634881507 /nfs/dbraw/zinc/88/15/07/634881507.db2.gz AKGKKTHSYQBTAO-QLFBSQMISA-N 1 3 279.428 2.158 20 30 CEEDHO C[C@H](C#N)OCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937815 634881509 /nfs/dbraw/zinc/88/15/09/634881509.db2.gz AKGKKTHSYQBTAO-QLFBSQMISA-N 1 3 279.428 2.158 20 30 CEEDHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017957 634927216 /nfs/dbraw/zinc/92/72/16/634927216.db2.gz ULVXJMVDVHILTQ-KBPBESRZSA-N 1 3 272.396 2.336 20 30 CEEDHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017957 634927218 /nfs/dbraw/zinc/92/72/18/634927218.db2.gz ULVXJMVDVHILTQ-KBPBESRZSA-N 1 3 272.396 2.336 20 30 CEEDHO N#CC1CCC(C[N@@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000903452662 635137053 /nfs/dbraw/zinc/13/70/53/635137053.db2.gz PTCBOTSOQCEDFD-GPANFISMSA-N 1 3 261.413 2.392 20 30 CEEDHO N#CC1CCC(C[N@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000903452662 635137055 /nfs/dbraw/zinc/13/70/55/635137055.db2.gz PTCBOTSOQCEDFD-GPANFISMSA-N 1 3 261.413 2.392 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000911670601 638344081 /nfs/dbraw/zinc/34/40/81/638344081.db2.gz NKVVVXBWVVYPHK-HNNXBMFYSA-N 1 3 283.460 2.262 20 30 CEEDHO C[C@@H](C#N)OCCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212421 645422369 /nfs/dbraw/zinc/42/23/69/645422369.db2.gz JMPCIMXRWLARMV-AWEZNQCLSA-N 1 3 275.396 2.109 20 30 CEEDHO C=CC[C@H](C)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000715051412 814925815 /nfs/dbraw/zinc/92/58/15/814925815.db2.gz CDHCQGUXOMFSHU-GARJFASQSA-N 1 3 250.308 2.410 20 30 CEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001088381782 806174071 /nfs/dbraw/zinc/17/40/71/806174071.db2.gz MMAXMKNJSOHNRF-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO CN(C)/C=N/c1ccc(NC2(C)CC[NH2+]CC2)cc1C#N ZINC001168188326 806390723 /nfs/dbraw/zinc/39/07/23/806390723.db2.gz RRJIJPOVAZHVQU-XDHOZWIPSA-N 1 3 285.395 2.334 20 30 CEEDHO C=C(C)CC[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001272111034 806552411 /nfs/dbraw/zinc/55/24/11/806552411.db2.gz LGGBPPGWXFKGST-UHFFFAOYSA-N 1 3 297.487 2.321 20 30 CEEDHO C=C(C)CC[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001272111034 806552418 /nfs/dbraw/zinc/55/24/18/806552418.db2.gz LGGBPPGWXFKGST-UHFFFAOYSA-N 1 3 297.487 2.321 20 30 CEEDHO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267627582 803630874 /nfs/dbraw/zinc/63/08/74/803630874.db2.gz IHTNFQKETHWFAD-HOTGVXAUSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001267627582 803630878 /nfs/dbraw/zinc/63/08/78/803630878.db2.gz IHTNFQKETHWFAD-HOTGVXAUSA-N 1 3 295.471 2.119 20 30 CEEDHO O=C1C=C2CN(C3CC[NH+](CC4CC4)CC3)CCC2S1 ZINC001168378802 807023992 /nfs/dbraw/zinc/02/39/92/807023992.db2.gz VEDSNZRJUWKJEB-OAHLLOKOSA-N 1 3 292.448 2.135 20 30 CEEDHO C#CC[C@H](CO)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625150 815137273 /nfs/dbraw/zinc/13/72/73/815137273.db2.gz LZKPLWRMRCZQEC-RDGPPVDQSA-N 1 3 298.430 2.013 20 30 CEEDHO C#CC[C@H](CO)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625150 815137276 /nfs/dbraw/zinc/13/72/76/815137276.db2.gz LZKPLWRMRCZQEC-RDGPPVDQSA-N 1 3 298.430 2.013 20 30 CEEDHO C#CC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716625150 815137278 /nfs/dbraw/zinc/13/72/78/815137278.db2.gz LZKPLWRMRCZQEC-RDGPPVDQSA-N 1 3 298.430 2.013 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134762993 813321964 /nfs/dbraw/zinc/32/19/64/813321964.db2.gz JWEUXNDZHALQTC-CVEARBPZSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135747878 813517003 /nfs/dbraw/zinc/51/70/03/813517003.db2.gz WFIXYAKTTBRMNF-GJZGRUSLSA-N 1 3 283.460 2.167 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248445 814223124 /nfs/dbraw/zinc/22/31/24/814223124.db2.gz VFWLPGMLSSZGKC-GDBMZVCRSA-N 1 3 295.471 2.167 20 30 CEEDHO CN(C)/C=N/c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1C#N ZINC001171335738 814603162 /nfs/dbraw/zinc/60/31/62/814603162.db2.gz SGRNLOVYGPXKQJ-SLDJAQPHSA-N 1 3 285.395 2.334 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175305011 816170604 /nfs/dbraw/zinc/17/06/04/816170604.db2.gz NUJNHBKCZAIGJH-CABCVRRESA-N 1 3 283.460 2.167 20 30 CEEDHO CC1(C#N)CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000602020575 346962228 /nfs/dbraw/zinc/96/22/28/346962228.db2.gz MTXAFLVPUPWLAR-UHFFFAOYSA-N 1 3 299.422 2.376 20 30 CEEDHO N#C[C@H]1CCC[C@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000593320242 345466090 /nfs/dbraw/zinc/46/60/90/345466090.db2.gz BNRQVSPXVMDVOG-FZMZJTMJSA-N 1 3 261.344 2.456 20 30 CEEDHO Cc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600709064 346675196 /nfs/dbraw/zinc/67/51/96/346675196.db2.gz NYPZCYMZLVHIHD-BHYGNILZSA-N 1 3 269.392 2.426 20 30 CEEDHO CC[NH+](CC)CC[C@@H](CO)NC1CCC(C)(C#N)CC1 ZINC000603433582 347369373 /nfs/dbraw/zinc/36/93/73/347369373.db2.gz UCTZGSGAIJLWMQ-PCKAHOCUSA-N 1 3 281.444 2.141 20 30 CEEDHO CCN(CC#CCOC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062704 350645867 /nfs/dbraw/zinc/64/58/67/350645867.db2.gz COQIXFDNWJWTTP-UHFFFAOYSA-N 1 3 274.408 2.220 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000335539561 212237964 /nfs/dbraw/zinc/23/79/64/212237964.db2.gz PALUMNVAGFKWNX-QGZVFWFLSA-N 1 3 269.392 2.380 20 30 CEEDHO C=CCc1cc(CN2CCC(C[NH3+])CC2)cc(OC)c1O ZINC000346683868 368768871 /nfs/dbraw/zinc/76/88/71/368768871.db2.gz FYSYGJSVPHPESQ-UHFFFAOYSA-N 1 3 290.407 2.300 20 30 CEEDHO C=CCC[C@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000351412171 369635257 /nfs/dbraw/zinc/63/52/57/369635257.db2.gz LPOCJMUKIDBRFS-KFWWJZLASA-N 1 3 254.418 2.118 20 30 CEEDHO C=CCC[C@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000351412171 369635260 /nfs/dbraw/zinc/63/52/60/369635260.db2.gz LPOCJMUKIDBRFS-KFWWJZLASA-N 1 3 254.418 2.118 20 30 CEEDHO C=CC[C@@H]1CC[C@H](N[C@@H](CO)CC[NH+](CC)CC)C1 ZINC000641770694 372713143 /nfs/dbraw/zinc/71/31/43/372713143.db2.gz ZUOHIHHIEZSJNS-OWCLPIDISA-N 1 3 268.445 2.414 20 30 CEEDHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429894 220078973 /nfs/dbraw/zinc/07/89/73/220078973.db2.gz VDIMEIAZVUVNKF-WMLDXEAASA-N 1 3 269.392 2.477 20 30 CEEDHO C=CCOCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479662 373145516 /nfs/dbraw/zinc/14/55/16/373145516.db2.gz YSLASPCOMPXAEJ-RDJZCZTQSA-N 1 3 288.391 2.035 20 30 CEEDHO C[C@H](CC[NH+](C)C)NC(=O)C(C#N)CCc1ccccc1 ZINC000435927384 377812717 /nfs/dbraw/zinc/81/27/17/377812717.db2.gz MLBSKLVXHVKZFM-GDBMZVCRSA-N 1 3 287.407 2.215 20 30 CEEDHO N#Cc1ccccc1CSCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422989519 394875109 /nfs/dbraw/zinc/87/51/09/394875109.db2.gz MCPIITDHCPRENP-CABCVRRESA-N 1 3 275.421 2.261 20 30 CEEDHO CC[NH+](CC)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345800809 395078147 /nfs/dbraw/zinc/07/81/47/395078147.db2.gz YNORJBKQEBQFBV-ZDUSSCGKSA-N 1 3 273.380 2.304 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000289895327 395089688 /nfs/dbraw/zinc/08/96/88/395089688.db2.gz SUXIASWCZQZOFT-ZJPYXAASSA-N 1 3 286.419 2.034 20 30 CEEDHO N#CCC[C@@H](C#N)CNCCCCC[NH+]1CCCC1 ZINC000573111737 395600431 /nfs/dbraw/zinc/60/04/31/395600431.db2.gz LQDJPFUBELKNHW-HNNXBMFYSA-N 1 3 262.401 2.286 20 30 CEEDHO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1 ZINC000651675301 401369742 /nfs/dbraw/zinc/36/97/42/401369742.db2.gz PALJDHYJZLWTPR-NVXWUHKLSA-N 1 3 279.472 2.347 20 30 CEEDHO C=CC[C@@]1(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000662710187 415939097 /nfs/dbraw/zinc/93/90/97/415939097.db2.gz FMWKXPYVLKNUKE-UXLLHSPISA-N 1 3 293.455 2.064 20 30 CEEDHO CC[N@@H+]1CC[C@@H](N(C)CCCSCC#N)C[C@H]1C ZINC000336707761 262382197 /nfs/dbraw/zinc/38/21/97/262382197.db2.gz IUYKGFPIFLMSGA-ZIAGYGMSSA-N 1 3 269.458 2.438 20 30 CEEDHO CC[N@H+]1CC[C@@H](N(C)CCCSCC#N)C[C@H]1C ZINC000336707761 262382198 /nfs/dbraw/zinc/38/21/98/262382198.db2.gz IUYKGFPIFLMSGA-ZIAGYGMSSA-N 1 3 269.458 2.438 20 30 CEEDHO C[C@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+](C)C ZINC000341326933 263331242 /nfs/dbraw/zinc/33/12/42/263331242.db2.gz ZALFVVPYDMLNFQ-ZBFHGGJFSA-N 1 3 287.407 2.073 20 30 CEEDHO C=C(C)CNC(=[NH2+])NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000370161402 267296459 /nfs/dbraw/zinc/29/64/59/267296459.db2.gz KFTWPDFXTVEBNL-TZMCWYRMSA-N 1 3 292.452 2.431 20 30 CEEDHO C=CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000364226677 327871779 /nfs/dbraw/zinc/87/17/79/327871779.db2.gz ALPVHRPNOVKPIM-HUUCEWRRSA-N 1 3 266.429 2.384 20 30 CEEDHO C=CCCOCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261563083 329971069 /nfs/dbraw/zinc/97/10/69/329971069.db2.gz GVLISLBGNIXUCU-RBSFLKMASA-N 1 3 252.402 2.089 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000422976146 330162330 /nfs/dbraw/zinc/16/23/30/330162330.db2.gz HTNKMHVOMHPHHP-JKSUJKDBSA-N 1 3 265.445 2.277 20 30 CEEDHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817958068 633800838 /nfs/dbraw/zinc/80/08/38/633800838.db2.gz GWYBYQXJSWNNNY-SWLSCSKDSA-N 1 3 261.369 2.223 20 30 CEEDHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC1CCC(C#N)CC1)C2 ZINC000903474901 635144085 /nfs/dbraw/zinc/14/40/85/635144085.db2.gz TUYSCXCKEOJNTF-STONLHKKSA-N 1 3 261.413 2.248 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000903476692 635146174 /nfs/dbraw/zinc/14/61/74/635146174.db2.gz GITXPHOKTHKROG-UKRRQHHQSA-N 1 3 257.381 2.202 20 30 CEEDHO C=CC[C@@H]1CCC[N@@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903933797 635359489 /nfs/dbraw/zinc/35/94/89/635359489.db2.gz VNOUTHNHCLNKGH-HZPDHXFCSA-N 1 3 290.455 2.134 20 30 CEEDHO C=CC[C@@H]1CCC[N@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903933797 635359493 /nfs/dbraw/zinc/35/94/93/635359493.db2.gz VNOUTHNHCLNKGH-HZPDHXFCSA-N 1 3 290.455 2.134 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000911728664 638380035 /nfs/dbraw/zinc/38/00/35/638380035.db2.gz XPYPDXPZHQNPHA-YMAMQOFZSA-N 1 3 283.460 2.450 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001000375292 642596013 /nfs/dbraw/zinc/59/60/13/642596013.db2.gz CCLLGJZYJRNOKW-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001002954593 642876505 /nfs/dbraw/zinc/87/65/05/642876505.db2.gz FGTSQAVWEVAMOR-MRXNPFEDSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001271902966 806135755 /nfs/dbraw/zinc/13/57/55/806135755.db2.gz TZIWEOQJGFGHHE-CVEARBPZSA-N 1 3 295.471 2.025 20 30 CEEDHO CCCCCCC[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160889966 814261750 /nfs/dbraw/zinc/26/17/50/814261750.db2.gz RPTVITIUPMXXBL-OAHLLOKOSA-N 1 3 285.476 2.393 20 30 CEEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099200290 807660354 /nfs/dbraw/zinc/66/03/54/807660354.db2.gz ZAOZJOZQGQFYFR-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132152426 812791936 /nfs/dbraw/zinc/79/19/36/812791936.db2.gz CDIFYGCOLJQGMZ-HUUCEWRRSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132152426 812791941 /nfs/dbraw/zinc/79/19/41/812791941.db2.gz CDIFYGCOLJQGMZ-HUUCEWRRSA-N 1 3 295.471 2.262 20 30 CEEDHO CN1CC[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173595568 815755954 /nfs/dbraw/zinc/75/59/54/815755954.db2.gz ROHWFYXBGVSFMC-QVOMUQBLSA-N 1 3 261.413 2.342 20 30 CEEDHO CN1CC[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173595568 815755958 /nfs/dbraw/zinc/75/59/58/815755958.db2.gz ROHWFYXBGVSFMC-QVOMUQBLSA-N 1 3 261.413 2.342 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609736 816883869 /nfs/dbraw/zinc/88/38/69/816883869.db2.gz ZJFVRWRGQANILG-HNNXBMFYSA-N 1 3 283.460 2.169 20 30 CEEDHO C[NH+](C)CC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000042393592 362091545 /nfs/dbraw/zinc/09/15/45/362091545.db2.gz AKLWYFSZIGHDBD-UHFFFAOYSA-N 1 3 287.407 2.211 20 30 CEEDHO N#Cc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000592470971 345358638 /nfs/dbraw/zinc/35/86/38/345358638.db2.gz PXTAJIAXPDLWDW-NWANDNLSSA-N 1 3 273.355 2.175 20 30 CEEDHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594424390 345625097 /nfs/dbraw/zinc/62/50/97/345625097.db2.gz CNILPLSQDVSSQP-BXUZGUMPSA-N 1 3 274.368 2.056 20 30 CEEDHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596652367 346072310 /nfs/dbraw/zinc/07/23/10/346072310.db2.gz SSNLCDTXEZBFSP-CZUORRHYSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccc(C#N)cc1 ZINC000596652367 346072314 /nfs/dbraw/zinc/07/23/14/346072314.db2.gz SSNLCDTXEZBFSP-CZUORRHYSA-N 1 3 257.381 2.078 20 30 CEEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(N)CCOCC1 ZINC000600707561 346674420 /nfs/dbraw/zinc/67/44/20/346674420.db2.gz IHJUCYVDWNGZNX-QGZVFWFLSA-N 1 3 299.418 2.423 20 30 CEEDHO N#CC1(C[C@@H](O)CNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000600731739 346680225 /nfs/dbraw/zinc/68/02/25/346680225.db2.gz ZJBKMYKDVIBOFX-MRXNPFEDSA-N 1 3 291.439 2.038 20 30 CEEDHO N#CC1(C[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000600731739 346680227 /nfs/dbraw/zinc/68/02/27/346680227.db2.gz ZJBKMYKDVIBOFX-MRXNPFEDSA-N 1 3 291.439 2.038 20 30 CEEDHO C=CCCCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560532 351414783 /nfs/dbraw/zinc/41/47/83/351414783.db2.gz FOGJBVBLNYRCDX-GHMZBOCLSA-N 1 3 250.308 2.412 20 30 CEEDHO CCN(C)C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337190063 366064636 /nfs/dbraw/zinc/06/46/36/366064636.db2.gz RMKHGBBHAAFCBY-INIZCTEOSA-N 1 3 293.455 2.361 20 30 CEEDHO CCN(C)C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337190063 366064642 /nfs/dbraw/zinc/06/46/42/366064642.db2.gz RMKHGBBHAAFCBY-INIZCTEOSA-N 1 3 293.455 2.361 20 30 CEEDHO CCC[NH+]1CCC(N2CCN(CCCCC#N)CC2)CC1 ZINC000112357962 364801618 /nfs/dbraw/zinc/80/16/18/364801618.db2.gz NBLGDZWIFOGRSL-UHFFFAOYSA-N 1 3 292.471 2.172 20 30 CEEDHO C=CCC[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008426 369045370 /nfs/dbraw/zinc/04/53/70/369045370.db2.gz JRNUODKTTDNZEK-ZDUSSCGKSA-N 1 3 260.385 2.258 20 30 CEEDHO CC[NH2+]CC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233503876 370520737 /nfs/dbraw/zinc/52/07/37/370520737.db2.gz FHDJELWJIKBHRS-UHFFFAOYSA-N 1 3 287.407 2.388 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000264113463 371972647 /nfs/dbraw/zinc/97/26/47/371972647.db2.gz RRSYHAAWJQDJKN-ZDUSSCGKSA-N 1 3 292.452 2.050 20 30 CEEDHO CN(Cc1ccc(C#N)c(F)c1)CC1CC[NH+](C)CC1 ZINC000361838496 372092086 /nfs/dbraw/zinc/09/20/86/372092086.db2.gz BNQCUBMREGRCSR-UHFFFAOYSA-N 1 3 275.371 2.471 20 30 CEEDHO COc1cc(CN2CCC3(C2)CC[NH2+]CC3)ccc1C#N ZINC000414766133 375956541 /nfs/dbraw/zinc/95/65/41/375956541.db2.gz RAVMRQLQPCQBMS-UHFFFAOYSA-N 1 3 285.391 2.142 20 30 CEEDHO N#CC(CCc1ccccc1)C(=O)NCCC[NH+]1CCCC1 ZINC000448598150 378175692 /nfs/dbraw/zinc/17/56/92/378175692.db2.gz RDHGXTBNWDUTTF-KRWDZBQOSA-N 1 3 299.418 2.361 20 30 CEEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000555949324 380860132 /nfs/dbraw/zinc/86/01/32/380860132.db2.gz PVBVRBPSYNXDAG-FHLIZLRMSA-N 1 3 299.418 2.035 20 30 CEEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000555949324 380860147 /nfs/dbraw/zinc/86/01/47/380860147.db2.gz PVBVRBPSYNXDAG-FHLIZLRMSA-N 1 3 299.418 2.035 20 30 CEEDHO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000555949324 380860152 /nfs/dbraw/zinc/86/01/52/380860152.db2.gz PVBVRBPSYNXDAG-FHLIZLRMSA-N 1 3 299.418 2.035 20 30 CEEDHO [NH2+]=C(NC[C@H]1CCCN(Cc2cccs2)C1)NC1CC1 ZINC000261904914 394609298 /nfs/dbraw/zinc/60/92/98/394609298.db2.gz WUFGKDUWTLKJSQ-GFCCVEGCSA-N 1 3 292.452 2.027 20 30 CEEDHO CC[NH+](CC)Cc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000345664802 395072415 /nfs/dbraw/zinc/07/24/15/395072415.db2.gz NZVFOWWFLDSHSV-ZDUSSCGKSA-N 1 3 273.380 2.304 20 30 CEEDHO C#Cc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000289494032 395078530 /nfs/dbraw/zinc/07/85/30/395078530.db2.gz RZYLACLEMWVHKE-UHFFFAOYSA-N 1 3 299.462 2.126 20 30 CEEDHO C#Cc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000289494032 395078534 /nfs/dbraw/zinc/07/85/34/395078534.db2.gz RZYLACLEMWVHKE-UHFFFAOYSA-N 1 3 299.462 2.126 20 30 CEEDHO C=C(C)CCN1CCC([NH+](CCOC)CCOC)CC1 ZINC000353024611 395285261 /nfs/dbraw/zinc/28/52/61/395285261.db2.gz PHRXFDPANVBEAP-UHFFFAOYSA-N 1 3 284.444 2.012 20 30 CEEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)CCC#N)C1 ZINC000411309191 395326427 /nfs/dbraw/zinc/32/64/27/395326427.db2.gz QRXVVKPQCNQYLY-HUUCEWRRSA-N 1 3 267.417 2.111 20 30 CEEDHO C[NH+](C)CCOc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442709866 395392378 /nfs/dbraw/zinc/39/23/78/395392378.db2.gz OUHHVGTURNWVNB-HOCLYGCPSA-N 1 3 287.407 2.409 20 30 CEEDHO Cc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1C#N ZINC000443971891 395407994 /nfs/dbraw/zinc/40/79/94/395407994.db2.gz WOXOKRXZOQDUGM-OAHLLOKOSA-N 1 3 269.392 2.441 20 30 CEEDHO CC(C#N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000347061864 226009931 /nfs/dbraw/zinc/00/99/31/226009931.db2.gz FPBQGVRYFLDNOQ-CYBMUJFWSA-N 1 3 271.364 2.058 20 30 CEEDHO C[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000397386749 267075428 /nfs/dbraw/zinc/07/54/28/267075428.db2.gz MFLXBQCLICQERJ-XJKCOSOUSA-N 1 3 257.381 2.363 20 30 CEEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)CC2 ZINC000424378180 281153779 /nfs/dbraw/zinc/15/37/79/281153779.db2.gz SPHQGAHAHLRDJL-OWCLPIDISA-N 1 3 255.365 2.405 20 30 CEEDHO CN(C)Cc1cccc(CNC(=[NH2+])Nc2ccccn2)c1 ZINC000170905085 327749176 /nfs/dbraw/zinc/74/91/76/327749176.db2.gz JQNMWFLBUSKGJS-UHFFFAOYSA-N 1 3 283.379 2.070 20 30 CEEDHO CCC[NH+]1CCC(CNC[C@H](C#N)CCC#N)CC1 ZINC000583139278 329325826 /nfs/dbraw/zinc/32/58/26/329325826.db2.gz YVDZWXAGTMYNDY-HNNXBMFYSA-N 1 3 262.401 2.142 20 30 CEEDHO C[NH+]=C(NCCNc1ccncc1)N1CCc2ccccc21 ZINC000263266130 330051101 /nfs/dbraw/zinc/05/11/01/330051101.db2.gz VGYORGBPMVVYNG-UHFFFAOYSA-N 1 3 295.390 2.132 20 30 CEEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)C(C)C ZINC000422827684 330156607 /nfs/dbraw/zinc/15/66/07/330156607.db2.gz FAWXOZPRSLGXSB-ARFHVFGLSA-N 1 3 265.445 2.154 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422827684 330156609 /nfs/dbraw/zinc/15/66/09/330156609.db2.gz FAWXOZPRSLGXSB-ARFHVFGLSA-N 1 3 265.445 2.154 20 30 CEEDHO C=C(C)CN[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249171669 334329295 /nfs/dbraw/zinc/32/92/95/334329295.db2.gz BRJXEOMTRCWHOL-LSDHHAIUSA-N 1 3 254.418 2.289 20 30 CEEDHO C=C(C)CN[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249171669 334329296 /nfs/dbraw/zinc/32/92/96/334329296.db2.gz BRJXEOMTRCWHOL-LSDHHAIUSA-N 1 3 254.418 2.289 20 30 CEEDHO C[C@H]1CN(Cc2ccccc2)CCC1=Nn1cnnc1 ZINC000734361238 574710820 /nfs/dbraw/zinc/71/08/20/574710820.db2.gz AFCZFHLIGXGCEJ-ZDUSSCGKSA-N 1 3 269.352 2.024 20 30 CEEDHO C[C@H]1C[N@H+](Cc2ccccc2)CCC1=Nn1cnnc1 ZINC000734361238 574710822 /nfs/dbraw/zinc/71/08/22/574710822.db2.gz AFCZFHLIGXGCEJ-ZDUSSCGKSA-N 1 3 269.352 2.024 20 30 CEEDHO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=Nn1cnnc1 ZINC000734361238 574710824 /nfs/dbraw/zinc/71/08/24/574710824.db2.gz AFCZFHLIGXGCEJ-ZDUSSCGKSA-N 1 3 269.352 2.024 20 30 CEEDHO CN(Cc1csc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000891934844 624116571 /nfs/dbraw/zinc/11/65/71/624116571.db2.gz WXXQNYZFLXYJHQ-UHFFFAOYSA-N 1 3 263.410 2.393 20 30 CEEDHO C#Cc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000809619113 632113365 /nfs/dbraw/zinc/11/33/65/632113365.db2.gz PJWGEJRWEFLFBQ-IBGZPJMESA-N 1 3 298.430 2.401 20 30 CEEDHO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1C#N ZINC000817914897 633774405 /nfs/dbraw/zinc/77/44/05/633774405.db2.gz BPZIOXRMFNXQQA-HUUCEWRRSA-N 1 3 273.380 2.316 20 30 CEEDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCC#N)cc1 ZINC000817917396 633775479 /nfs/dbraw/zinc/77/54/79/633775479.db2.gz FMYUHGQHVXYZKE-CJNGLKHVSA-N 1 3 273.380 2.067 20 30 CEEDHO C[C@H](C#N)OCCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801937817 634887591 /nfs/dbraw/zinc/88/75/91/634887591.db2.gz AKGKKTHSYQBTAO-RBSFLKMASA-N 1 3 279.428 2.158 20 30 CEEDHO C[C@H](C#N)OCCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937817 634887592 /nfs/dbraw/zinc/88/75/92/634887592.db2.gz AKGKKTHSYQBTAO-RBSFLKMASA-N 1 3 279.428 2.158 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000876743245 650415890 /nfs/dbraw/zinc/41/58/90/650415890.db2.gz ACRFJNRMWCBUGJ-AWEZNQCLSA-N 1 3 295.814 2.199 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911708865 638385649 /nfs/dbraw/zinc/38/56/49/638385649.db2.gz YSZQQTIJCNECGB-GJZGRUSLSA-N 1 3 283.460 2.180 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000876914201 650483359 /nfs/dbraw/zinc/48/33/59/650483359.db2.gz CAVDZMGKMINILA-UONOGXRCSA-N 1 3 295.814 2.053 20 30 CEEDHO C[C@@H]1CCN(CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849004146 642221114 /nfs/dbraw/zinc/22/11/14/642221114.db2.gz BUVSVQDPVMOPNI-OAHLLOKOSA-N 1 3 288.439 2.036 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001001010827 642675940 /nfs/dbraw/zinc/67/59/40/642675940.db2.gz XJHVMKJMXHQAMT-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C#CCCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000878287764 651054081 /nfs/dbraw/zinc/05/40/81/651054081.db2.gz IOCQDGMVDLMRCO-YESZJQIVSA-N 1 3 278.440 2.364 20 30 CEEDHO N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000873239145 649605267 /nfs/dbraw/zinc/60/52/67/649605267.db2.gz OSXOEZMLHWNXCK-WMLDXEAASA-N 1 3 298.434 2.244 20 30 CEEDHO C=C(C)C[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001271901584 806135322 /nfs/dbraw/zinc/13/53/22/806135322.db2.gz OLQMONJZHHAIEH-HNNXBMFYSA-N 1 3 297.487 2.271 20 30 CEEDHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001282435023 802423639 /nfs/dbraw/zinc/42/36/39/802423639.db2.gz VQQZYLNAPOQSBT-OAHLLOKOSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001282435023 802423646 /nfs/dbraw/zinc/42/36/46/802423646.db2.gz VQQZYLNAPOQSBT-OAHLLOKOSA-N 1 3 295.471 2.264 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133965650 813185246 /nfs/dbraw/zinc/18/52/46/813185246.db2.gz CXNGVNQTPDYIKK-AWEZNQCLSA-N 1 3 271.449 2.003 20 30 CEEDHO C=CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCCC1 ZINC001267805889 803745202 /nfs/dbraw/zinc/74/52/02/803745202.db2.gz SRVFESOQXWHQPN-HNNXBMFYSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001268748095 804957470 /nfs/dbraw/zinc/95/74/70/804957470.db2.gz DJUAYIGYFINBBQ-CVEARBPZSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001268748095 804957474 /nfs/dbraw/zinc/95/74/74/804957474.db2.gz DJUAYIGYFINBBQ-CVEARBPZSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001269129536 805058339 /nfs/dbraw/zinc/05/83/39/805058339.db2.gz MWVSBXKVYPIBHM-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001269129536 805058347 /nfs/dbraw/zinc/05/83/47/805058347.db2.gz MWVSBXKVYPIBHM-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC(=NCOC)N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169141114 811408625 /nfs/dbraw/zinc/40/86/25/811408625.db2.gz IXOUFVJNHOTPQC-IUODEOHRSA-N 1 3 267.417 2.308 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001044630713 811516844 /nfs/dbraw/zinc/51/68/44/811516844.db2.gz YHFALZOKJZGSCC-HUUCEWRRSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046314581 811733529 /nfs/dbraw/zinc/73/35/29/811733529.db2.gz DKNZPFBTFTXVMM-NVXWUHKLSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046314581 811733534 /nfs/dbraw/zinc/73/35/34/811733534.db2.gz DKNZPFBTFTXVMM-NVXWUHKLSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCCCN1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071059 812158637 /nfs/dbraw/zinc/15/86/37/812158637.db2.gz CNVCWAHZGNSOFE-UHFFFAOYSA-N 1 3 298.390 2.058 20 30 CEEDHO C=CCCC[NH+]1CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC001113071059 812158642 /nfs/dbraw/zinc/15/86/42/812158642.db2.gz CNVCWAHZGNSOFE-UHFFFAOYSA-N 1 3 298.390 2.058 20 30 CEEDHO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135475472 813442657 /nfs/dbraw/zinc/44/26/57/813442657.db2.gz AVZICTCMEZYCTM-CABCVRRESA-N 1 3 295.471 2.167 20 30 CEEDHO C[Si](C)(C)C#Cc1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170900850 813626077 /nfs/dbraw/zinc/62/60/77/813626077.db2.gz QRJWLJBEYDNASC-OAHLLOKOSA-N 1 3 275.472 2.351 20 30 CEEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175107396 816132089 /nfs/dbraw/zinc/13/20/89/816132089.db2.gz NUBHZTMGZAOWPR-LSDHHAIUSA-N 1 3 283.460 2.023 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175255810 816162984 /nfs/dbraw/zinc/16/29/84/816162984.db2.gz HIGGFUCUWCIQDF-HOTGVXAUSA-N 1 3 295.471 2.311 20 30 CEEDHO CCN1C[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@H]2C1 ZINC001142931585 816759146 /nfs/dbraw/zinc/75/91/46/816759146.db2.gz RZGWBENMUUXKSR-HZPDHXFCSA-N 1 3 294.402 2.423 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698331 816786395 /nfs/dbraw/zinc/78/63/95/816786395.db2.gz DDERQWKYMZTZKV-MRXNPFEDSA-N 1 3 295.471 2.169 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179587365 816880769 /nfs/dbraw/zinc/88/07/69/816880769.db2.gz ZTWSRTDGTITFLW-INIZCTEOSA-N 1 3 295.471 2.171 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580924 816885300 /nfs/dbraw/zinc/88/53/00/816885300.db2.gz WJQBLYOHERUOKZ-INIZCTEOSA-N 1 3 295.471 2.313 20 30 CEEDHO C=C(C)CNC(=[NH2+])NCC[C@@H](C)N(C)Cc1ccccc1 ZINC000083052670 344074613 /nfs/dbraw/zinc/07/46/13/344074613.db2.gz GSUPFBKCYMRKIR-OAHLLOKOSA-N 1 3 288.439 2.377 20 30 CEEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000312736627 344739676 /nfs/dbraw/zinc/73/96/76/344739676.db2.gz UJOAWKNNUFGRKV-QGZVFWFLSA-N 1 3 269.392 2.394 20 30 CEEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000312736627 344739678 /nfs/dbraw/zinc/73/96/78/344739678.db2.gz UJOAWKNNUFGRKV-QGZVFWFLSA-N 1 3 269.392 2.394 20 30 CEEDHO N#Cc1ccccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000598680514 346400295 /nfs/dbraw/zinc/40/02/95/346400295.db2.gz ZHZDXJMTJFQJRD-DOTOQJQBSA-N 1 3 269.392 2.380 20 30 CEEDHO N#Cc1cccc(CNCCCCC[NH+]2CCCC2)n1 ZINC000602676518 347137846 /nfs/dbraw/zinc/13/78/46/347137846.db2.gz NYGVQPGCQSPGDY-UHFFFAOYSA-N 1 3 272.396 2.309 20 30 CEEDHO C[C@@H](CCC#N)C[N@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000602657898 347127369 /nfs/dbraw/zinc/12/73/69/347127369.db2.gz TZPUHUYHRVYZCC-RDJZCZTQSA-N 1 3 292.471 2.027 20 30 CEEDHO C[C@@H](CCC#N)C[N@@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000602657898 347127373 /nfs/dbraw/zinc/12/73/73/347127373.db2.gz TZPUHUYHRVYZCC-RDJZCZTQSA-N 1 3 292.471 2.027 20 30 CEEDHO N#Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000404815787 233194496 /nfs/dbraw/zinc/19/44/96/233194496.db2.gz BEBYTCRWHNOTDE-DZGCQCFKSA-N 1 3 261.344 2.304 20 30 CEEDHO CN(C)C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156391053 188259137 /nfs/dbraw/zinc/25/91/37/188259137.db2.gz NZHYPXCEEFLYBR-MRXNPFEDSA-N 1 3 287.407 2.211 20 30 CEEDHO CN(C)C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156391053 188259139 /nfs/dbraw/zinc/25/91/39/188259139.db2.gz NZHYPXCEEFLYBR-MRXNPFEDSA-N 1 3 287.407 2.211 20 30 CEEDHO N#Cc1ccc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CC2 ZINC000335506352 283196925 /nfs/dbraw/zinc/19/69/25/283196925.db2.gz YRJJCOLMPMLVPN-INIZCTEOSA-N 1 3 253.349 2.055 20 30 CEEDHO CN1CCC[C@H](C[N@H+](C)CCOc2ccccc2C#N)C1 ZINC000118842480 365182997 /nfs/dbraw/zinc/18/29/97/365182997.db2.gz RCFBPXSIKPKOQI-HNNXBMFYSA-N 1 3 287.407 2.211 20 30 CEEDHO CN1CCC[C@H](C[N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000118842480 365183002 /nfs/dbraw/zinc/18/30/02/365183002.db2.gz RCFBPXSIKPKOQI-HNNXBMFYSA-N 1 3 287.407 2.211 20 30 CEEDHO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000186702401 369023922 /nfs/dbraw/zinc/02/39/22/369023922.db2.gz GNJMIIJEXUQCTL-GOEBONIOSA-N 1 3 292.423 2.215 20 30 CEEDHO CCCCNC(=[NH2+])NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000195291816 370122435 /nfs/dbraw/zinc/12/24/35/370122435.db2.gz VGAKXHSRGCIWLV-MRXNPFEDSA-N 1 3 288.439 2.213 20 30 CEEDHO CCN1CCC([N@@H+]2CCCN([C@@H](C)CCC#N)CC2)CC1 ZINC000420972033 376751021 /nfs/dbraw/zinc/75/10/21/376751021.db2.gz AKSOLWOMAPGWHU-INIZCTEOSA-N 1 3 292.471 2.171 20 30 CEEDHO CCN1CCC([N@H+]2CCCN([C@@H](C)CCC#N)CC2)CC1 ZINC000420972033 376751031 /nfs/dbraw/zinc/75/10/31/376751031.db2.gz AKSOLWOMAPGWHU-INIZCTEOSA-N 1 3 292.471 2.171 20 30 CEEDHO Cn1cc(CN2CCC(CC[NH+](C)C)CC2)cc1C#N ZINC000191266972 130211143 /nfs/dbraw/zinc/21/11/43/130211143.db2.gz UXLQWAKONYVGCJ-UHFFFAOYSA-N 1 3 274.412 2.060 20 30 CEEDHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000362236449 394849655 /nfs/dbraw/zinc/84/96/55/394849655.db2.gz FQWXFVMUZRJOGV-HMDCTGQHSA-N 1 3 291.439 2.158 20 30 CEEDHO CC[NH+](CC)[C@H](CNC(=O)C(C)C#N)CC(C)C ZINC000345493069 395067523 /nfs/dbraw/zinc/06/75/23/395067523.db2.gz VHIHBIRKKSGKIR-OLZOCXBDSA-N 1 3 253.390 2.019 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000289895317 395089973 /nfs/dbraw/zinc/08/99/73/395089973.db2.gz SUXIASWCZQZOFT-BSDSXHPESA-N 1 3 286.419 2.034 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347093712 289235834 /nfs/dbraw/zinc/23/58/34/289235834.db2.gz BMJIXADIGVWWMK-QLFBSQMISA-N 1 3 277.412 2.259 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000347093712 289235835 /nfs/dbraw/zinc/23/58/35/289235835.db2.gz BMJIXADIGVWWMK-QLFBSQMISA-N 1 3 277.412 2.259 20 30 CEEDHO C=CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000661756339 415445136 /nfs/dbraw/zinc/44/51/36/415445136.db2.gz KRTKZVGCGXXIOS-UHFFFAOYSA-N 1 3 295.471 2.262 20 30 CEEDHO C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)CN(C)C ZINC000291919304 263126677 /nfs/dbraw/zinc/12/66/77/263126677.db2.gz NDORPAQFYWRJDM-CYBMUJFWSA-N 1 3 288.439 2.490 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347031892 289235684 /nfs/dbraw/zinc/23/56/84/289235684.db2.gz FINDWUYOUFFRMV-MQYQWHSLSA-N 1 3 263.385 2.010 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347031892 289235688 /nfs/dbraw/zinc/23/56/88/289235688.db2.gz FINDWUYOUFFRMV-MQYQWHSLSA-N 1 3 263.385 2.010 20 30 CEEDHO C=CCC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000378255290 329044269 /nfs/dbraw/zinc/04/42/69/329044269.db2.gz WCLJDMQPZIZRFT-WMZOPIPTSA-N 1 3 291.483 2.489 20 30 CEEDHO C=C(C)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171305001 329073711 /nfs/dbraw/zinc/07/37/11/329073711.db2.gz XMTJTSLSJACSBM-GJZGRUSLSA-N 1 3 266.429 2.384 20 30 CEEDHO C[C@@H]1C[NH+]=C(NCC2(N3CCCCC3)CCCCC2)N1 ZINC000262686187 330027143 /nfs/dbraw/zinc/02/71/43/330027143.db2.gz YKMJJWBHCATMDT-CQSZACIVSA-N 1 3 278.444 2.113 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422832241 330156864 /nfs/dbraw/zinc/15/68/64/330156864.db2.gz KYISELWRPIHLNB-BRWVUGGUSA-N 1 3 279.472 2.273 20 30 CEEDHO C=CC[C@H](CO)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423019380 330165706 /nfs/dbraw/zinc/16/57/06/330165706.db2.gz VKMFZHDTNHMMKJ-QLFBSQMISA-N 1 3 254.418 2.071 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423158682 330173559 /nfs/dbraw/zinc/17/35/59/330173559.db2.gz WYGYNDQEMJGARZ-YJNKXOJESA-N 1 3 252.402 2.230 20 30 CEEDHO C=CCC[C@H](NC[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423410637 330197266 /nfs/dbraw/zinc/19/72/66/330197266.db2.gz DJWXLHOHSMDFEO-LSDHHAIUSA-N 1 3 252.402 2.089 20 30 CEEDHO C=CCc1cc(CN[C@@H](C)C[C@H](C)[NH3+])cc(OC)c1O ZINC000577751896 335397528 /nfs/dbraw/zinc/39/75/28/335397528.db2.gz WGRJPAWQRJHTEV-RYUDHWBXSA-N 1 3 278.396 2.345 20 30 CEEDHO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000742207419 574841699 /nfs/dbraw/zinc/84/16/99/574841699.db2.gz XYDYIBXLYPQMJL-BBRMVZONSA-N 1 3 287.407 2.387 20 30 CEEDHO C#CCSCC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000740018469 574939189 /nfs/dbraw/zinc/93/91/89/574939189.db2.gz UMFCRHSWJQFZHU-UHFFFAOYSA-N 1 3 292.448 2.083 20 30 CEEDHO C[C@H](CC(C)(C)C#N)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925559023 628224415 /nfs/dbraw/zinc/22/44/15/628224415.db2.gz VIFPGBQDYDYQOK-KBMXLJTQSA-N 1 3 293.455 2.282 20 30 CEEDHO C#CCCCCCC[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000877499066 629170479 /nfs/dbraw/zinc/17/04/79/629170479.db2.gz LEHMTJOLVHDBOE-UHFFFAOYSA-N 1 3 279.472 2.186 20 30 CEEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000817964519 633806201 /nfs/dbraw/zinc/80/62/01/633806201.db2.gz BGARXVBXUWQYHU-BLLLJJGKSA-N 1 3 258.365 2.087 20 30 CEEDHO C=CCC1([NH2+]C[C@H](CN)Cc2cnn(C)c2C)CCCC1 ZINC000903932509 635358479 /nfs/dbraw/zinc/35/84/79/635358479.db2.gz CYPGBNRUMBSTQB-HNNXBMFYSA-N 1 3 290.455 2.324 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000876708423 650407967 /nfs/dbraw/zinc/40/79/67/650407967.db2.gz PUKJBZLMWBWDMV-OLZOCXBDSA-N 1 3 289.851 2.083 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000876741461 650415342 /nfs/dbraw/zinc/41/53/42/650415342.db2.gz RSXGEOFPAFZFTH-AWEZNQCLSA-N 1 3 295.814 2.051 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000876886984 650473777 /nfs/dbraw/zinc/47/37/77/650473777.db2.gz GXBHBIKWEQRPKR-AWEZNQCLSA-N 1 3 295.814 2.465 20 30 CEEDHO C[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)N1CCCC1 ZINC000848986565 642209607 /nfs/dbraw/zinc/20/96/07/642209607.db2.gz GBFRJAYIOYCJGA-HNNXBMFYSA-N 1 3 288.439 2.178 20 30 CEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(CC(C)C)CC1 ZINC000134035647 652759449 /nfs/dbraw/zinc/75/94/49/652759449.db2.gz VSDFDTGGLCMPPX-CQSZACIVSA-N 1 3 280.460 2.201 20 30 CEEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171586365 815192486 /nfs/dbraw/zinc/19/24/86/815192486.db2.gz MYUFMPVGEOWBFF-CQSZACIVSA-N 1 3 283.460 2.167 20 30 CEEDHO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001172304580 815362861 /nfs/dbraw/zinc/36/28/61/815362861.db2.gz OFCYRNJVSQUMBG-OLMNPRSZSA-N 1 3 283.419 2.373 20 30 CEEDHO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001172304580 815362866 /nfs/dbraw/zinc/36/28/66/815362866.db2.gz OFCYRNJVSQUMBG-OLMNPRSZSA-N 1 3 283.419 2.373 20 30 CEEDHO CC[N@H+]1C[C@H]2CN([C@H](C)Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001172313056 815366943 /nfs/dbraw/zinc/36/69/43/815366943.db2.gz OHNDIOLUVQOKLZ-OLMNPRSZSA-N 1 3 283.419 2.373 20 30 CEEDHO CC[N@@H+]1C[C@H]2CN([C@H](C)Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001172313056 815366949 /nfs/dbraw/zinc/36/69/49/815366949.db2.gz OHNDIOLUVQOKLZ-OLMNPRSZSA-N 1 3 283.419 2.373 20 30 CEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132152424 812791351 /nfs/dbraw/zinc/79/13/51/812791351.db2.gz CDIFYGCOLJQGMZ-CABCVRRESA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132152424 812791352 /nfs/dbraw/zinc/79/13/52/812791352.db2.gz CDIFYGCOLJQGMZ-CABCVRRESA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135475473 813442691 /nfs/dbraw/zinc/44/26/91/813442691.db2.gz AVZICTCMEZYCTM-GJZGRUSLSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350659 816400054 /nfs/dbraw/zinc/40/00/54/816400054.db2.gz JJMQMXLOCCKPSJ-ZDUSSCGKSA-N 1 3 292.427 2.101 20 30 CEEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176759539 816473475 /nfs/dbraw/zinc/47/34/75/816473475.db2.gz JHVNIVFJIPILQQ-HOTGVXAUSA-N 1 3 295.471 2.311 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499136 816871681 /nfs/dbraw/zinc/87/16/81/816871681.db2.gz NCJOEPFCZIRPRS-MRXNPFEDSA-N 1 3 297.487 2.415 20 30 CEEDHO C[C@H](CCC#N)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000602486727 347055727 /nfs/dbraw/zinc/05/57/27/347055727.db2.gz OYSSRKVKQLFDIL-QKPAOTATSA-N 1 3 279.428 2.110 20 30 CEEDHO CCN1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522572 347065898 /nfs/dbraw/zinc/06/58/98/347065898.db2.gz YCBDNPNJEMFBJM-CABCVRRESA-N 1 3 279.428 2.017 20 30 CEEDHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522572 347065900 /nfs/dbraw/zinc/06/59/00/347065900.db2.gz YCBDNPNJEMFBJM-CABCVRRESA-N 1 3 279.428 2.017 20 30 CEEDHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522572 347065905 /nfs/dbraw/zinc/06/59/05/347065905.db2.gz YCBDNPNJEMFBJM-CABCVRRESA-N 1 3 279.428 2.017 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000584584677 344959447 /nfs/dbraw/zinc/95/94/47/344959447.db2.gz DGWWTNVEDWRINJ-WQVCFCJDSA-N 1 3 275.396 2.233 20 30 CEEDHO N#Cc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594956605 345715740 /nfs/dbraw/zinc/71/57/40/345715740.db2.gz XGCZGDXJTUSLIL-DLBZAZTESA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594956605 345715741 /nfs/dbraw/zinc/71/57/41/345715741.db2.gz XGCZGDXJTUSLIL-DLBZAZTESA-N 1 3 269.392 2.317 20 30 CEEDHO N#CCC[C@@H](C#N)CNCC1CC[NH+](CC2CC2)CC1 ZINC000596067650 345931919 /nfs/dbraw/zinc/93/19/19/345931919.db2.gz PJWVGYRNZJVLJN-INIZCTEOSA-N 1 3 274.412 2.142 20 30 CEEDHO CC(C)(C#N)C[C@@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000598704525 346404442 /nfs/dbraw/zinc/40/44/42/346404442.db2.gz QXDKKJXWXMOLOJ-CYBMUJFWSA-N 1 3 281.444 2.186 20 30 CEEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000598704525 346404444 /nfs/dbraw/zinc/40/44/44/346404444.db2.gz QXDKKJXWXMOLOJ-CYBMUJFWSA-N 1 3 281.444 2.186 20 30 CEEDHO CCCC[NH+]1CCC(NC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598722012 346408021 /nfs/dbraw/zinc/40/80/21/346408021.db2.gz YHPKYAUQOMJFCN-HNNXBMFYSA-N 1 3 281.444 2.141 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000600767261 346686552 /nfs/dbraw/zinc/68/65/52/346686552.db2.gz AHMYMAUVCKVLEV-ZIAGYGMSSA-N 1 3 273.380 2.363 20 30 CEEDHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)C[C@H](C)CCC#N ZINC000602657983 347127755 /nfs/dbraw/zinc/12/77/55/347127755.db2.gz VSWGJRPUIOOLQF-SJORKVTESA-N 1 3 294.487 2.274 20 30 CEEDHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)C[C@H](C)CCC#N ZINC000602657983 347127757 /nfs/dbraw/zinc/12/77/57/347127757.db2.gz VSWGJRPUIOOLQF-SJORKVTESA-N 1 3 294.487 2.274 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623407469 350011399 /nfs/dbraw/zinc/01/13/99/350011399.db2.gz GYIHVYWXMPUICY-MRXNPFEDSA-N 1 3 279.472 2.489 20 30 CEEDHO CN(Cc1ccc(C#N)s1)CC1CC[NH+](C)CC1 ZINC000132221059 366127929 /nfs/dbraw/zinc/12/79/29/366127929.db2.gz KYOJPQZPFBXYMG-UHFFFAOYSA-N 1 3 263.410 2.393 20 30 CEEDHO C=CCOCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000314514604 538761375 /nfs/dbraw/zinc/76/13/75/538761375.db2.gz NUNXIJNFOCOOSR-UHFFFAOYSA-N 1 3 288.435 2.486 20 30 CEEDHO CCCC[N@H+](C)CC1CCN(CC#CCOC)CC1 ZINC000677477610 541018299 /nfs/dbraw/zinc/01/82/99/541018299.db2.gz NYEZXYDKZKCPRI-UHFFFAOYSA-N 1 3 266.429 2.080 20 30 CEEDHO CCCC[N@@H+](C)CC1CCN(CC#CCOC)CC1 ZINC000677477610 541018300 /nfs/dbraw/zinc/01/83/00/541018300.db2.gz NYEZXYDKZKCPRI-UHFFFAOYSA-N 1 3 266.429 2.080 20 30 CEEDHO COCC[N@H+](C)CCCN[C@@H](C)c1cccc(C#N)c1 ZINC000181488368 189297781 /nfs/dbraw/zinc/29/77/81/189297781.db2.gz JILASPBPYUNYGF-AWEZNQCLSA-N 1 3 275.396 2.177 20 30 CEEDHO COCC[N@@H+](C)CCCN[C@@H](C)c1cccc(C#N)c1 ZINC000181488368 189297782 /nfs/dbraw/zinc/29/77/82/189297782.db2.gz JILASPBPYUNYGF-AWEZNQCLSA-N 1 3 275.396 2.177 20 30 CEEDHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1C#N ZINC000087823731 363870786 /nfs/dbraw/zinc/87/07/86/363870786.db2.gz NBWHTKTYMCJVKP-AWEZNQCLSA-N 1 3 285.391 2.141 20 30 CEEDHO N#Cc1csc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000093492339 364191481 /nfs/dbraw/zinc/19/14/81/364191481.db2.gz VRCJNUVTECRNPJ-LLVKDONJSA-N 1 3 261.394 2.194 20 30 CEEDHO C=C(Cl)CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000161003120 367047812 /nfs/dbraw/zinc/04/78/12/367047812.db2.gz JWOVABYPXJZEHN-UHFFFAOYSA-N 1 3 251.761 2.393 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000335539559 212238648 /nfs/dbraw/zinc/23/86/48/212238648.db2.gz PALUMNVAGFKWNX-KRWDZBQOSA-N 1 3 269.392 2.380 20 30 CEEDHO C=CCC[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008424 369044824 /nfs/dbraw/zinc/04/48/24/369044824.db2.gz JRNUODKTTDNZEK-CYBMUJFWSA-N 1 3 260.385 2.258 20 30 CEEDHO CC(C#N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000349571837 369347467 /nfs/dbraw/zinc/34/74/67/369347467.db2.gz XOXWKGPXPLHEOX-UONOGXRCSA-N 1 3 273.380 2.173 20 30 CEEDHO CC(C#N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349571837 369347472 /nfs/dbraw/zinc/34/74/72/369347472.db2.gz XOXWKGPXPLHEOX-UONOGXRCSA-N 1 3 273.380 2.173 20 30 CEEDHO C=C(CC)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000358834103 371240958 /nfs/dbraw/zinc/24/09/58/371240958.db2.gz TYYKLPAVOLKURE-UHFFFAOYSA-N 1 3 279.472 2.443 20 30 CEEDHO C[NH+]1CCC2(CCN(CC#Cc3ccccc3)C2)CC1 ZINC000639756117 371547030 /nfs/dbraw/zinc/54/70/30/371547030.db2.gz QIYQVTLCLVBRKH-UHFFFAOYSA-N 1 3 268.404 2.456 20 30 CEEDHO CCN(CC)C(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000264133422 371975768 /nfs/dbraw/zinc/97/57/68/371975768.db2.gz YULJBUHUZFZDSZ-UHFFFAOYSA-N 1 3 288.439 2.091 20 30 CEEDHO Cn1cc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1C#N ZINC000369722991 373498126 /nfs/dbraw/zinc/49/81/26/373498126.db2.gz UUCAPEDICQHGNT-UHFFFAOYSA-N 1 3 286.423 2.205 20 30 CEEDHO N#Cc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000333631389 377808357 /nfs/dbraw/zinc/80/83/57/377808357.db2.gz AYCBYKDHCWRIOR-ROUUACIJSA-N 1 3 299.418 2.277 20 30 CEEDHO CN(C)CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267302446 394675875 /nfs/dbraw/zinc/67/58/75/394675875.db2.gz LPSXDINQOYJNHB-UHFFFAOYSA-N 1 3 274.412 2.244 20 30 CEEDHO Cc1cc(C)cc(NC(=[NH2+])NCC2=CCN(C)CC2)c1 ZINC000271768173 394764367 /nfs/dbraw/zinc/76/43/67/394764367.db2.gz DSFCABGLLOZFHX-UHFFFAOYSA-N 1 3 272.396 2.292 20 30 CEEDHO N#Cc1ccc2c(c1)[C@H](NCC1=CC[NH2+]CC1)CC2 ZINC000335506353 394771948 /nfs/dbraw/zinc/77/19/48/394771948.db2.gz YRJJCOLMPMLVPN-MRXNPFEDSA-N 1 3 253.349 2.055 20 30 CEEDHO CC(C#N)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345814520 395079074 /nfs/dbraw/zinc/07/90/74/395079074.db2.gz KVDIQFQARMNXSH-MJBXVCDLSA-N 1 3 265.401 2.020 20 30 CEEDHO CC(C#N)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345814520 395079076 /nfs/dbraw/zinc/07/90/76/395079076.db2.gz KVDIQFQARMNXSH-MJBXVCDLSA-N 1 3 265.401 2.020 20 30 CEEDHO C=C(C)COCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000353616949 395303441 /nfs/dbraw/zinc/30/34/41/395303441.db2.gz CFKDXUGXDVZHSL-RRFJBIMHSA-N 1 3 252.402 2.042 20 30 CEEDHO C=C(C)COCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353616949 395303443 /nfs/dbraw/zinc/30/34/43/395303443.db2.gz CFKDXUGXDVZHSL-RRFJBIMHSA-N 1 3 252.402 2.042 20 30 CEEDHO C=C(C)COCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353616949 395303445 /nfs/dbraw/zinc/30/34/45/395303445.db2.gz CFKDXUGXDVZHSL-RRFJBIMHSA-N 1 3 252.402 2.042 20 30 CEEDHO CN1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000367598304 156213796 /nfs/dbraw/zinc/21/37/96/156213796.db2.gz DPENOAXGEZZTSN-OKZBNKHCSA-N 1 3 299.418 2.399 20 30 CEEDHO C[N@@H+]1CC[C@H](NCCOc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000367598304 156213797 /nfs/dbraw/zinc/21/37/97/156213797.db2.gz DPENOAXGEZZTSN-OKZBNKHCSA-N 1 3 299.418 2.399 20 30 CEEDHO C[N@H+]1CC[C@H](NCCOc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000367598304 156213800 /nfs/dbraw/zinc/21/38/00/156213800.db2.gz DPENOAXGEZZTSN-OKZBNKHCSA-N 1 3 299.418 2.399 20 30 CEEDHO C=C(C)COCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000163502339 264356955 /nfs/dbraw/zinc/35/69/55/264356955.db2.gz QKGMDFKHBJMAPI-KFWWJZLASA-N 1 3 252.402 2.089 20 30 CEEDHO C[C@H](NCC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000581245538 322380465 /nfs/dbraw/zinc/38/04/65/322380465.db2.gz ILVHSTYWUOPEFZ-NSHDSACASA-N 1 3 261.344 2.348 20 30 CEEDHO C#CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000264032138 330060940 /nfs/dbraw/zinc/06/09/40/330060940.db2.gz AQSGPUNAIZWNGT-UHFFFAOYSA-N 1 3 256.393 2.464 20 30 CEEDHO C#CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264032138 330060942 /nfs/dbraw/zinc/06/09/42/330060942.db2.gz AQSGPUNAIZWNGT-UHFFFAOYSA-N 1 3 256.393 2.464 20 30 CEEDHO C=CCN(CC=C)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422834962 330156807 /nfs/dbraw/zinc/15/68/07/330156807.db2.gz ONLSNHHNKXBBJF-BBWFWOEESA-N 1 3 279.472 2.415 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423095646 330169798 /nfs/dbraw/zinc/16/97/98/330169798.db2.gz MUMPYMAWAQGYPD-KBXIAJHMSA-N 1 3 252.402 2.088 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)[C@@H]1CCCN1 ZINC000423095646 330169799 /nfs/dbraw/zinc/16/97/99/330169799.db2.gz MUMPYMAWAQGYPD-KBXIAJHMSA-N 1 3 252.402 2.088 20 30 CEEDHO CC[C@@H](CNC(=[NH2+])N1CCCCCC1)N1CCCC1 ZINC000305090748 631108710 /nfs/dbraw/zinc/10/87/10/631108710.db2.gz WRKOBNBUANPAMS-AWEZNQCLSA-N 1 3 266.433 2.052 20 30 CEEDHO C=CCCOCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000231801637 639879575 /nfs/dbraw/zinc/87/95/75/639879575.db2.gz PXRIETILPIZNRX-HUUCEWRRSA-N 1 3 254.418 2.480 20 30 CEEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923413395 643701751 /nfs/dbraw/zinc/70/17/51/643701751.db2.gz FOHRZOCNYPOSNP-UKRRQHHQSA-N 1 3 254.418 2.010 20 30 CEEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923413395 643701753 /nfs/dbraw/zinc/70/17/53/643701753.db2.gz FOHRZOCNYPOSNP-UKRRQHHQSA-N 1 3 254.418 2.010 20 30 CEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001271447512 805959879 /nfs/dbraw/zinc/95/98/79/805959879.db2.gz KXALJUWZFIZHLB-JKSUJKDBSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167045363 802316640 /nfs/dbraw/zinc/31/66/40/802316640.db2.gz SZVCHRIEAWUYMT-OAHLLOKOSA-N 1 3 295.471 2.025 20 30 CEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038240504 803177419 /nfs/dbraw/zinc/17/74/19/803177419.db2.gz QJNPYOBIOBZFSF-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038240504 803177423 /nfs/dbraw/zinc/17/74/23/803177423.db2.gz QJNPYOBIOBZFSF-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCN(CC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267242331 803281521 /nfs/dbraw/zinc/28/15/21/803281521.db2.gz GPTWDVUMKDLGTH-MRXNPFEDSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCN(CC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267242331 803281527 /nfs/dbraw/zinc/28/15/27/803281527.db2.gz GPTWDVUMKDLGTH-MRXNPFEDSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001267281524 803328384 /nfs/dbraw/zinc/32/83/84/803328384.db2.gz NAGMHWXYMMYSOU-JKSUJKDBSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001267281524 803328391 /nfs/dbraw/zinc/32/83/91/803328391.db2.gz NAGMHWXYMMYSOU-JKSUJKDBSA-N 1 3 295.471 2.119 20 30 CEEDHO C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267887942 803801562 /nfs/dbraw/zinc/80/15/62/803801562.db2.gz RTWUWULAPXIPNV-HZPDHXFCSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001268748101 804958137 /nfs/dbraw/zinc/95/81/37/804958137.db2.gz DJUAYIGYFINBBQ-JKSUJKDBSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001268748101 804958141 /nfs/dbraw/zinc/95/81/41/804958141.db2.gz DJUAYIGYFINBBQ-JKSUJKDBSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCC1 ZINC001273153672 810052076 /nfs/dbraw/zinc/05/20/76/810052076.db2.gz BKWFZAJRIQHHKD-UHFFFAOYSA-N 1 3 295.471 2.169 20 30 CEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015499830 810298028 /nfs/dbraw/zinc/29/80/28/810298028.db2.gz QYULJVBUWXZFIC-HNNXBMFYSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015499830 810298037 /nfs/dbraw/zinc/29/80/37/810298037.db2.gz QYULJVBUWXZFIC-HNNXBMFYSA-N 1 3 293.455 2.018 20 30 CEEDHO C#CCCC1(CCNC2CC[NH+](CCCOC)CC2)N=N1 ZINC001172249688 815358898 /nfs/dbraw/zinc/35/88/98/815358898.db2.gz NENCZTIISCEOOF-UHFFFAOYSA-N 1 3 292.427 2.043 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001121909584 815365947 /nfs/dbraw/zinc/36/59/47/815365947.db2.gz VUMGCJCLGWYGLQ-JKSUJKDBSA-N 1 3 295.471 2.441 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001121909584 815365951 /nfs/dbraw/zinc/36/59/51/815365951.db2.gz VUMGCJCLGWYGLQ-JKSUJKDBSA-N 1 3 295.471 2.441 20 30 CEEDHO CN(C)/C=N/c1ccc(-n2ccc(C[NH3+])c2)cc1C#N ZINC001169725435 811627037 /nfs/dbraw/zinc/62/70/37/811627037.db2.gz HEQDYJBZPYRFNI-WOJGMQOQSA-N 1 3 267.336 2.029 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706468 813509092 /nfs/dbraw/zinc/50/90/92/813509092.db2.gz VBALVBIYTQFHCR-GJZGRUSLSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246026627 813664816 /nfs/dbraw/zinc/66/48/16/813664816.db2.gz WLJSLQRIOSHSQR-SJORKVTESA-N 1 3 298.471 2.050 20 30 CEEDHO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246026627 813664822 /nfs/dbraw/zinc/66/48/22/813664822.db2.gz WLJSLQRIOSHSQR-SJORKVTESA-N 1 3 298.471 2.050 20 30 CEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099299690 813998300 /nfs/dbraw/zinc/99/83/00/813998300.db2.gz UHSNHXZYAHEQDV-OAHLLOKOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099299690 813998304 /nfs/dbraw/zinc/99/83/04/813998304.db2.gz UHSNHXZYAHEQDV-OAHLLOKOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248447 814222214 /nfs/dbraw/zinc/22/22/14/814222214.db2.gz VFWLPGMLSSZGKC-HOCLYGCPSA-N 1 3 295.471 2.167 20 30 CEEDHO C=C(C)CN(CC)C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056525135 343617937 /nfs/dbraw/zinc/61/79/37/343617937.db2.gz UQOLGOLFSRQIHX-UHFFFAOYSA-N 1 3 295.471 2.075 20 30 CEEDHO CC[NH+](CC)[C@H](C)CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602508993 347061735 /nfs/dbraw/zinc/06/17/35/347061735.db2.gz DZFHUBUNVXLHHB-HUUCEWRRSA-N 1 3 281.444 2.405 20 30 CEEDHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000594405171 345622736 /nfs/dbraw/zinc/62/27/36/345622736.db2.gz UDFNRPNJVFYQRP-YESZJQIVSA-N 1 3 299.418 2.215 20 30 CEEDHO C[C@@H](CCNC(=O)C(C#N)CCc1ccccc1)[NH+](C)C ZINC000597992924 346265033 /nfs/dbraw/zinc/26/50/33/346265033.db2.gz PJWLVALARGGHHJ-HOCLYGCPSA-N 1 3 287.407 2.215 20 30 CEEDHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590719 346378648 /nfs/dbraw/zinc/37/86/48/346378648.db2.gz SRBOGABDWANJPV-HNNXBMFYSA-N 1 3 281.444 2.092 20 30 CEEDHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724127 346408897 /nfs/dbraw/zinc/40/88/97/346408897.db2.gz IPTOIKMCKINVBZ-CVEARBPZSA-N 1 3 295.471 2.245 20 30 CEEDHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724127 346408901 /nfs/dbraw/zinc/40/89/01/346408901.db2.gz IPTOIKMCKINVBZ-CVEARBPZSA-N 1 3 295.471 2.245 20 30 CEEDHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724127 346408904 /nfs/dbraw/zinc/40/89/04/346408904.db2.gz IPTOIKMCKINVBZ-CVEARBPZSA-N 1 3 295.471 2.245 20 30 CEEDHO C[NH2+]CC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000600699374 346673558 /nfs/dbraw/zinc/67/35/58/346673558.db2.gz AACUVOCTXAVVRO-UHFFFAOYSA-N 1 3 257.381 2.298 20 30 CEEDHO Cc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1C#N ZINC000600704769 346674322 /nfs/dbraw/zinc/67/43/22/346674322.db2.gz PXOXDRQZCTXPCE-CYBMUJFWSA-N 1 3 257.381 2.426 20 30 CEEDHO C=CC[C@@H]1CCN(C[C@@H](O)C[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625701356 350550874 /nfs/dbraw/zinc/55/08/74/350550874.db2.gz JJHQFAJVGCOYNK-BJWYYQGGSA-N 1 3 278.440 2.143 20 30 CEEDHO C=CC[C@@H]1CCN(C[C@@H](O)C[N@H+]2CC[C@H](CC=C)C2)C1 ZINC000625701356 350550876 /nfs/dbraw/zinc/55/08/76/350550876.db2.gz JJHQFAJVGCOYNK-BJWYYQGGSA-N 1 3 278.440 2.143 20 30 CEEDHO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)CN2CC[C@H](CC=C)C2)C1 ZINC000625701356 350550879 /nfs/dbraw/zinc/55/08/79/350550879.db2.gz JJHQFAJVGCOYNK-BJWYYQGGSA-N 1 3 278.440 2.143 20 30 CEEDHO C=CC[C@@H]1CC[N@H+](C[C@@H](O)CN2CC[C@H](CC=C)C2)C1 ZINC000625701356 350550880 /nfs/dbraw/zinc/55/08/80/350550880.db2.gz JJHQFAJVGCOYNK-BJWYYQGGSA-N 1 3 278.440 2.143 20 30 CEEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C#N)s1 ZINC000150997680 366611077 /nfs/dbraw/zinc/61/10/77/366611077.db2.gz RDBMUFLGLYTUOD-GFCCVEGCSA-N 1 3 281.425 2.066 20 30 CEEDHO N#Cc1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000343572302 367891469 /nfs/dbraw/zinc/89/14/69/367891469.db2.gz MRHXJBNFIDSSQQ-IRXDYDNUSA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1cccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000343572302 367891474 /nfs/dbraw/zinc/89/14/74/367891474.db2.gz MRHXJBNFIDSSQQ-IRXDYDNUSA-N 1 3 269.392 2.317 20 30 CEEDHO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000186702418 369023582 /nfs/dbraw/zinc/02/35/82/369023582.db2.gz GNJMIIJEXUQCTL-GDBMZVCRSA-N 1 3 292.423 2.215 20 30 CEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Cl)c1 ZINC000264104183 371970302 /nfs/dbraw/zinc/97/03/02/371970302.db2.gz NHRPMAOVHBWBNF-AWEZNQCLSA-N 1 3 294.830 2.229 20 30 CEEDHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1C#N ZINC000414800030 375984768 /nfs/dbraw/zinc/98/47/68/375984768.db2.gz KMOURRLGFBIRIL-HIFRSBDPSA-N 1 3 273.380 2.174 20 30 CEEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442861199 378009117 /nfs/dbraw/zinc/00/91/17/378009117.db2.gz DBBVLZNZJTXRRO-HUUCEWRRSA-N 1 3 267.461 2.203 20 30 CEEDHO CC[NH+](CC)CCOCCNCc1cc(C#N)cs1 ZINC000350348909 219010798 /nfs/dbraw/zinc/01/07/98/219010798.db2.gz BDDHHSBWTGKNNG-UHFFFAOYSA-N 1 3 281.425 2.068 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000332384418 394637345 /nfs/dbraw/zinc/63/73/45/394637345.db2.gz IOGMFKVCVWAPFD-NVXWUHKLSA-N 1 3 298.434 2.387 20 30 CEEDHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000333221429 394642854 /nfs/dbraw/zinc/64/28/54/394642854.db2.gz ACARPIAGMMJVJF-KSSFIOAISA-N 1 3 298.434 2.115 20 30 CEEDHO N#Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423377653 394907407 /nfs/dbraw/zinc/90/74/07/394907407.db2.gz VXLSBCXWVABRMR-OFQRWUPVSA-N 1 3 255.365 2.405 20 30 CEEDHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(C#N)cc1F ZINC000423523682 394944829 /nfs/dbraw/zinc/94/48/29/394944829.db2.gz YZPAJKLDYMWNJF-GMXVVIOVSA-N 1 3 261.344 2.475 20 30 CEEDHO C=CCC[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000286353673 395020915 /nfs/dbraw/zinc/02/09/15/395020915.db2.gz YWZFSJXPFWXCKO-CQSZACIVSA-N 1 3 278.396 2.333 20 30 CEEDHO C=CCCCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000373277871 395057882 /nfs/dbraw/zinc/05/78/82/395057882.db2.gz JFPDDPBRGIRCPI-QGZVFWFLSA-N 1 3 279.472 2.445 20 30 CEEDHO C=CCCCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000373277871 395057884 /nfs/dbraw/zinc/05/78/84/395057884.db2.gz JFPDDPBRGIRCPI-QGZVFWFLSA-N 1 3 279.472 2.445 20 30 CEEDHO COCC[N@H+](C)CCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353387395 395296017 /nfs/dbraw/zinc/29/60/17/395296017.db2.gz OLRJOYWIVDNCSW-QGZVFWFLSA-N 1 3 287.407 2.103 20 30 CEEDHO COCC[N@@H+](C)CCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353387395 395296022 /nfs/dbraw/zinc/29/60/22/395296022.db2.gz OLRJOYWIVDNCSW-QGZVFWFLSA-N 1 3 287.407 2.103 20 30 CEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C#N)c(C)c1 ZINC000443983572 267144259 /nfs/dbraw/zinc/14/42/59/267144259.db2.gz DQCGWUISVQHWMY-KRWDZBQOSA-N 1 3 289.423 2.313 20 30 CEEDHO C=C(C)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371351532 267393766 /nfs/dbraw/zinc/39/37/66/267393766.db2.gz VBTKNBNIQPLXGX-UHFFFAOYSA-N 1 3 265.445 2.053 20 30 CEEDHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000332399915 274377945 /nfs/dbraw/zinc/37/79/45/274377945.db2.gz VALDELMZLDMRDY-RDTXWAMCSA-N 1 3 298.434 2.115 20 30 CEEDHO CC(C#N)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000746163577 575150409 /nfs/dbraw/zinc/15/04/09/575150409.db2.gz PFCDGWFQZHRHMO-CQSZACIVSA-N 1 3 265.401 2.309 20 30 CEEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001020676089 622824676 /nfs/dbraw/zinc/82/46/76/622824676.db2.gz QZIOWQNCCPIUHA-BZUAXINKSA-N 1 3 293.455 2.062 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000903447303 635133125 /nfs/dbraw/zinc/13/31/25/635133125.db2.gz NUIGOJLCSTXBMJ-DZGCQCFKSA-N 1 3 257.381 2.344 20 30 CEEDHO C=CCCCCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849048950 642257174 /nfs/dbraw/zinc/25/71/74/642257174.db2.gz JMXJSUQLITUXGV-CQSZACIVSA-N 1 3 266.433 2.331 20 30 CEEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923413393 643702224 /nfs/dbraw/zinc/70/22/24/643702224.db2.gz FOHRZOCNYPOSNP-HIFRSBDPSA-N 1 3 254.418 2.010 20 30 CEEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923413393 643702228 /nfs/dbraw/zinc/70/22/28/643702228.db2.gz FOHRZOCNYPOSNP-HIFRSBDPSA-N 1 3 254.418 2.010 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515456 643747551 /nfs/dbraw/zinc/74/75/51/643747551.db2.gz HBMQLINHNBATEP-JKSUJKDBSA-N 1 3 269.392 2.216 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000857077472 644812363 /nfs/dbraw/zinc/81/23/63/644812363.db2.gz LAXDCYZFKSYRGB-KRWDZBQOSA-N 1 3 299.418 2.029 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000857077472 644812366 /nfs/dbraw/zinc/81/23/66/644812366.db2.gz LAXDCYZFKSYRGB-KRWDZBQOSA-N 1 3 299.418 2.029 20 30 CEEDHO c1nncn1[NH+]=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000768350302 646112540 /nfs/dbraw/zinc/11/25/40/646112540.db2.gz CXATWXLASIGISJ-IYBDPMFKSA-N 1 3 281.363 2.309 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001266897265 802975775 /nfs/dbraw/zinc/97/57/75/802975775.db2.gz MBGYJKCENZWYSQ-HZPDHXFCSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001266897265 802975779 /nfs/dbraw/zinc/97/57/79/802975779.db2.gz MBGYJKCENZWYSQ-HZPDHXFCSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C1CCCCC1 ZINC001268122788 804463618 /nfs/dbraw/zinc/46/36/18/804463618.db2.gz JBLUVFZAQAMOGX-HOTGVXAUSA-N 1 3 295.471 2.167 20 30 CEEDHO C#CC[C@H](CO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625146 815137291 /nfs/dbraw/zinc/13/72/91/815137291.db2.gz LZKPLWRMRCZQEC-MANSERQUSA-N 1 3 298.430 2.013 20 30 CEEDHO C#CC[C@H](CO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625146 815137293 /nfs/dbraw/zinc/13/72/93/815137293.db2.gz LZKPLWRMRCZQEC-MANSERQUSA-N 1 3 298.430 2.013 20 30 CEEDHO C#CC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716625146 815137295 /nfs/dbraw/zinc/13/72/95/815137295.db2.gz LZKPLWRMRCZQEC-MANSERQUSA-N 1 3 298.430 2.013 20 30 CEEDHO C[C@H]1CN(Cc2c[nH]c3ccc(C#N)cc23)C[C@H]1C[NH3+] ZINC001205141110 807791941 /nfs/dbraw/zinc/79/19/41/807791941.db2.gz WGTFVGWPBRUYLF-WCQYABFASA-N 1 3 268.364 2.066 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1CCC ZINC001085217601 810697158 /nfs/dbraw/zinc/69/71/58/810697158.db2.gz ITQQSLNWKYJFTR-OAGGEKHMSA-N 1 3 293.455 2.064 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129362995 811764796 /nfs/dbraw/zinc/76/47/96/811764796.db2.gz DBTODKZZIDNRGD-UHFFFAOYSA-N 1 3 283.460 2.147 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584614 813293128 /nfs/dbraw/zinc/29/31/28/813293128.db2.gz VOYOGTUCAYKAIE-LSDHHAIUSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706469 813508257 /nfs/dbraw/zinc/50/82/57/813508257.db2.gz VBALVBIYTQFHCR-HUUCEWRRSA-N 1 3 283.460 2.167 20 30 CEEDHO CN(C)/C=N/c1ccc(NC[C@H]2CCCC[NH2+]2)cc1C#N ZINC001171335737 814603034 /nfs/dbraw/zinc/60/30/34/814603034.db2.gz SGRNLOVYGPXKQJ-RVZJCZPVSA-N 1 3 285.395 2.334 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCCC1 ZINC001115713379 814750370 /nfs/dbraw/zinc/75/03/70/814750370.db2.gz LUQDRIXZSAQESO-OAHLLOKOSA-N 1 3 295.471 2.167 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262713 816164703 /nfs/dbraw/zinc/16/47/03/816164703.db2.gz KIKRMZHDIWEPGV-HZPDHXFCSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CCC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890229 816490695 /nfs/dbraw/zinc/49/06/95/816490695.db2.gz NNRDHORTZDCCAI-UHFFFAOYSA-N 1 3 289.423 2.034 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178816261 816803907 /nfs/dbraw/zinc/80/39/07/816803907.db2.gz ZJFVRWRGQANILG-OAHLLOKOSA-N 1 3 283.460 2.169 20 30 CEEDHO CN1CC[C@]2(C1)CCC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000595508884 345799008 /nfs/dbraw/zinc/79/90/08/345799008.db2.gz ZIDBCYISRAHZJZ-SFHVURJKSA-N 1 3 299.418 2.355 20 30 CEEDHO CN1CC[C@]2(C1)CCC[N@@H+](CCOc1cccc(C#N)c1)C2 ZINC000595508884 345799013 /nfs/dbraw/zinc/79/90/13/345799013.db2.gz ZIDBCYISRAHZJZ-SFHVURJKSA-N 1 3 299.418 2.355 20 30 CEEDHO C#CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000306682618 539800303 /nfs/dbraw/zinc/80/03/03/539800303.db2.gz RWXBEDFMNLAQMR-DLBZAZTESA-N 1 3 254.377 2.074 20 30 CEEDHO C#CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000306682618 539800308 /nfs/dbraw/zinc/80/03/08/539800308.db2.gz RWXBEDFMNLAQMR-DLBZAZTESA-N 1 3 254.377 2.074 20 30 CEEDHO C=CCOc1ccc(CN(C)CCOCC[NH3+])cc1Cl ZINC000629662421 351456428 /nfs/dbraw/zinc/45/64/28/351456428.db2.gz HXYQMWDVLMPIGI-UHFFFAOYSA-N 1 3 298.814 2.312 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000334675060 364164781 /nfs/dbraw/zinc/16/47/81/364164781.db2.gz MVABLRVGBBFMPR-LSDHHAIUSA-N 1 3 277.412 2.261 20 30 CEEDHO CN1CCC[C@H]2C[N@H+](CCCSCC#N)CC[C@@H]21 ZINC000158748327 366860297 /nfs/dbraw/zinc/86/02/97/366860297.db2.gz RZCUEAOXLLILQV-KBPBESRZSA-N 1 3 267.442 2.049 20 30 CEEDHO CN1CCC[C@H]2C[N@@H+](CCCSCC#N)CC[C@@H]21 ZINC000158748327 366860302 /nfs/dbraw/zinc/86/03/02/366860302.db2.gz RZCUEAOXLLILQV-KBPBESRZSA-N 1 3 267.442 2.049 20 30 CEEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000357789708 370829406 /nfs/dbraw/zinc/82/94/06/370829406.db2.gz FAGCAHBAHRGTSV-CQSZACIVSA-N 1 3 285.391 2.448 20 30 CEEDHO C[C@@H]1CCC[C@@](CNC(=[NH2+])Nc2ccccn2)(N(C)C)C1 ZINC000170909610 367444563 /nfs/dbraw/zinc/44/45/63/367444563.db2.gz PMOSEMQESZZSQY-CZUORRHYSA-N 1 3 289.427 2.319 20 30 CEEDHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345161587 368175967 /nfs/dbraw/zinc/17/59/67/368175967.db2.gz RQOGIEUKDPZPKF-ZDUSSCGKSA-N 1 3 273.380 2.303 20 30 CEEDHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345161587 368175970 /nfs/dbraw/zinc/17/59/70/368175970.db2.gz RQOGIEUKDPZPKF-ZDUSSCGKSA-N 1 3 273.380 2.303 20 30 CEEDHO COc1cc(CN2CCC[C@H](CC[NH3+])C2)ccc1C#N ZINC000234979144 370551797 /nfs/dbraw/zinc/55/17/97/370551797.db2.gz FBPREGFIHBSKAD-CYBMUJFWSA-N 1 3 273.380 2.128 20 30 CEEDHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1C#N ZINC000289853216 376529809 /nfs/dbraw/zinc/52/98/09/376529809.db2.gz QONYXYDDXOBJHS-MQVJKMGUSA-N 1 3 285.391 2.282 20 30 CEEDHO CN1CCC[C@@]2(CC[N@H+](CCOc3ccccc3C#N)C2)C1 ZINC000292834815 377304764 /nfs/dbraw/zinc/30/47/64/377304764.db2.gz ASERGQNTPSKHAF-GOSISDBHSA-N 1 3 299.418 2.355 20 30 CEEDHO CN1CCC[C@@]2(CC[N@@H+](CCOc3ccccc3C#N)C2)C1 ZINC000292834815 377304768 /nfs/dbraw/zinc/30/47/68/377304768.db2.gz ASERGQNTPSKHAF-GOSISDBHSA-N 1 3 299.418 2.355 20 30 CEEDHO CCCNC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304800890 379597505 /nfs/dbraw/zinc/59/75/05/379597505.db2.gz OVGVRXUXJKSCKB-TZMCWYRMSA-N 1 3 294.468 2.445 20 30 CEEDHO CC[NH+](CC)CCOCCNCc1ccc(C#N)s1 ZINC000350258221 219003571 /nfs/dbraw/zinc/00/35/71/219003571.db2.gz BVQWQRGEJHKRLK-UHFFFAOYSA-N 1 3 281.425 2.068 20 30 CEEDHO CC1CCN(C(=[NH2+])NCCN(C)C2CCCCC2)CC1 ZINC000303252063 394479165 /nfs/dbraw/zinc/47/91/65/394479165.db2.gz AZGZBRSWRVOJOR-UHFFFAOYSA-N 1 3 280.460 2.298 20 30 CEEDHO CCC[N@H+](CCN1CCN(CC)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339202066 394950973 /nfs/dbraw/zinc/95/09/73/394950973.db2.gz GQXFZPPSPUSVBI-IAGOWNOFSA-N 1 3 292.471 2.028 20 30 CEEDHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339202066 394950976 /nfs/dbraw/zinc/95/09/76/394950976.db2.gz GQXFZPPSPUSVBI-IAGOWNOFSA-N 1 3 292.471 2.028 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000289647485 395082575 /nfs/dbraw/zinc/08/25/75/395082575.db2.gz GBCCAITUKPVGTN-TVFCKZIOSA-N 1 3 286.419 2.319 20 30 CEEDHO C=CC[N@@H+](CCCN1CCCCC1)[C@@H](C)COC ZINC000661239334 415152108 /nfs/dbraw/zinc/15/21/08/415152108.db2.gz FVUWVUWZJRHVKG-HNNXBMFYSA-N 1 3 254.418 2.385 20 30 CEEDHO C=CC[N@H+](CCCN1CCCCC1)[C@@H](C)COC ZINC000661239334 415152112 /nfs/dbraw/zinc/15/21/12/415152112.db2.gz FVUWVUWZJRHVKG-HNNXBMFYSA-N 1 3 254.418 2.385 20 30 CEEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000657886199 415114150 /nfs/dbraw/zinc/11/41/50/415114150.db2.gz ILEMKQUPNNQBBT-LSDHHAIUSA-N 1 3 266.429 2.168 20 30 CEEDHO C=CCN(Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252321 415714047 /nfs/dbraw/zinc/71/40/47/415714047.db2.gz PGQXWRLPNHDVNJ-INIZCTEOSA-N 1 3 272.392 2.196 20 30 CEEDHO CCC(CC)[C@H](CNC(=[NH2+])Nc1ccccn1)N(C)C ZINC000170910425 261449591 /nfs/dbraw/zinc/44/95/91/261449591.db2.gz RTWHTNAKHJFELG-ZDUSSCGKSA-N 1 3 277.416 2.175 20 30 CEEDHO C=C(C)CCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364368292 262219615 /nfs/dbraw/zinc/21/96/15/262219615.db2.gz ZOAWAZHKRKZTQU-INIZCTEOSA-N 1 3 265.445 2.053 20 30 CEEDHO C=C(C)CCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364368292 262219618 /nfs/dbraw/zinc/21/96/18/262219618.db2.gz ZOAWAZHKRKZTQU-INIZCTEOSA-N 1 3 265.445 2.053 20 30 CEEDHO CN1CC[C@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065930 263127996 /nfs/dbraw/zinc/12/79/96/263127996.db2.gz DBRAREAHODYXOS-KRWDZBQOSA-N 1 3 285.391 2.117 20 30 CEEDHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000292065930 263127997 /nfs/dbraw/zinc/12/79/97/263127997.db2.gz DBRAREAHODYXOS-KRWDZBQOSA-N 1 3 285.391 2.117 20 30 CEEDHO C=CCC[C@@H](CC)[NH2+]CCCN1CCCN(C)CC1 ZINC000128524453 264289652 /nfs/dbraw/zinc/28/96/52/264289652.db2.gz VANDWBIXYADVCO-MRXNPFEDSA-N 1 3 267.461 2.348 20 30 CEEDHO C=C(C)COCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000163589185 264357548 /nfs/dbraw/zinc/35/75/48/264357548.db2.gz OYMBSYWJEGATBT-GJZGRUSLSA-N 1 3 254.418 2.480 20 30 CEEDHO CN1CC=C(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336392806 277023237 /nfs/dbraw/zinc/02/32/37/277023237.db2.gz HCOVMFLFWVEZTL-QGZVFWFLSA-N 1 3 267.376 2.397 20 30 CEEDHO CCCN1CCN(C2CC[NH+](CCCCC#N)CC2)CC1 ZINC000369157033 328943581 /nfs/dbraw/zinc/94/35/81/328943581.db2.gz QTLHXMQJEWFRKA-UHFFFAOYSA-N 1 3 292.471 2.172 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000422976144 330162226 /nfs/dbraw/zinc/16/22/26/330162226.db2.gz HTNKMHVOMHPHHP-HOTGVXAUSA-N 1 3 265.445 2.277 20 30 CEEDHO C=CCCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423046958 330166993 /nfs/dbraw/zinc/16/69/93/330166993.db2.gz FLPNYARBZKGTFX-QLFBSQMISA-N 1 3 252.402 2.089 20 30 CEEDHO C=CCCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000231799188 333329957 /nfs/dbraw/zinc/32/99/57/333329957.db2.gz PUHGGABHSRXDEO-OWCLPIDISA-N 1 3 266.429 2.480 20 30 CEEDHO C=CCCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000344773316 527199406 /nfs/dbraw/zinc/19/94/06/527199406.db2.gz ONYCLUCDWURLGG-IAGOWNOFSA-N 1 3 279.472 2.443 20 30 CEEDHO CSc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1C#N ZINC000925771546 628773350 /nfs/dbraw/zinc/77/33/50/628773350.db2.gz BULGFVYUOAOBGF-OCCSQVGLSA-N 1 3 275.421 2.497 20 30 CEEDHO C#CCOc1ccc(C[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000895298194 630086431 /nfs/dbraw/zinc/08/64/31/630086431.db2.gz UEIIZJDUGSMFAT-CQSZACIVSA-N 1 3 260.381 2.128 20 30 CEEDHO C#CC[C@H](COC)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000895671970 630300886 /nfs/dbraw/zinc/30/08/86/630300886.db2.gz NJIRYVMNJLQKBY-MRXNPFEDSA-N 1 3 266.429 2.125 20 30 CEEDHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817958067 633802075 /nfs/dbraw/zinc/80/20/75/633802075.db2.gz GWYBYQXJSWNNNY-IUODEOHRSA-N 1 3 261.369 2.223 20 30 CEEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819023580 634042658 /nfs/dbraw/zinc/04/26/58/634042658.db2.gz GVTRQNKJOOCZSC-GOSISDBHSA-N 1 3 299.418 2.222 20 30 CEEDHO C=CC[NH+]1CCC(NC[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819024269 634044066 /nfs/dbraw/zinc/04/40/66/634044066.db2.gz NBAUCSOSJMJIPX-MRXNPFEDSA-N 1 3 296.361 2.238 20 30 CEEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819134763 634079391 /nfs/dbraw/zinc/07/93/91/634079391.db2.gz MTWXSEKSSHLJOC-GVDBMIGSSA-N 1 3 287.407 2.054 20 30 CEEDHO C=CCC1([NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CCCC1 ZINC000903932510 635358528 /nfs/dbraw/zinc/35/85/28/635358528.db2.gz CYPGBNRUMBSTQB-OAHLLOKOSA-N 1 3 290.455 2.324 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000912015086 638523133 /nfs/dbraw/zinc/52/31/33/638523133.db2.gz UKMCZHSUEQVTEV-CQSZACIVSA-N 1 3 281.444 2.051 20 30 CEEDHO C#C[C@H]1CCC[N@@H+](C/C=C/CN2CCC[C@@H](C#C)C2)C1 ZINC000847020656 641525099 /nfs/dbraw/zinc/52/50/99/641525099.db2.gz CYGFUOUZQLJYNX-FBLDJFESSA-N 1 3 270.420 2.233 20 30 CEEDHO C#C[C@H]1CCC[N@H+](C/C=C/CN2CCC[C@@H](C#C)C2)C1 ZINC000847020656 641525102 /nfs/dbraw/zinc/52/51/02/641525102.db2.gz CYGFUOUZQLJYNX-FBLDJFESSA-N 1 3 270.420 2.233 20 30 CEEDHO C#C[C@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020656 641525107 /nfs/dbraw/zinc/52/51/07/641525107.db2.gz CYGFUOUZQLJYNX-FBLDJFESSA-N 1 3 270.420 2.233 20 30 CEEDHO C#C[C@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020656 641525113 /nfs/dbraw/zinc/52/51/13/641525113.db2.gz CYGFUOUZQLJYNX-FBLDJFESSA-N 1 3 270.420 2.233 20 30 CEEDHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001284220089 804907476 /nfs/dbraw/zinc/90/74/76/804907476.db2.gz NCYLNEZHCKOHOX-GJZGRUSLSA-N 1 3 295.471 2.025 20 30 CEEDHO N#CC[C@H]1CCC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168390052 807053885 /nfs/dbraw/zinc/05/38/85/807053885.db2.gz FBCPZFAGLJOAHK-CQSZACIVSA-N 1 3 261.413 2.486 20 30 CEEDHO N#CC[C@H]1CCC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168390052 807053894 /nfs/dbraw/zinc/05/38/94/807053894.db2.gz FBCPZFAGLJOAHK-CQSZACIVSA-N 1 3 261.413 2.486 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001122296997 807641935 /nfs/dbraw/zinc/64/19/35/807641935.db2.gz WFPSMUOLWPFEPO-CABCVRRESA-N 1 3 283.460 2.262 20 30 CEEDHO C=CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172112896 815300734 /nfs/dbraw/zinc/30/07/34/815300734.db2.gz CTHDBIQZWDQSEU-NXOAAHMSSA-N 1 3 277.456 2.242 20 30 CEEDHO C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699477 810880427 /nfs/dbraw/zinc/88/04/27/810880427.db2.gz OREIRSPNNICDFW-HNNXBMFYSA-N 1 3 298.390 2.057 20 30 CEEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001172488702 815450810 /nfs/dbraw/zinc/45/08/10/815450810.db2.gz VTXPUXXJQYQPPB-HNNXBMFYSA-N 1 3 286.423 2.500 20 30 CEEDHO C=CCCC[NH2+]CCNC(=O)CN(C)CCCCCC ZINC001135440771 813438981 /nfs/dbraw/zinc/43/89/81/813438981.db2.gz QAKBTCSSJXNJPD-UHFFFAOYSA-N 1 3 283.460 2.171 20 30 CEEDHO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467784 813441981 /nfs/dbraw/zinc/44/19/81/813441981.db2.gz JTPRFTAXFBGNOY-CABCVRRESA-N 1 3 295.471 2.167 20 30 CEEDHO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691717 813504747 /nfs/dbraw/zinc/50/47/47/813504747.db2.gz YWPYZSOSNOROAJ-JKSUJKDBSA-N 1 3 295.471 2.005 20 30 CEEDHO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246032141 813665819 /nfs/dbraw/zinc/66/58/19/813665819.db2.gz RRMAINBUNUOARW-RBSFLKMASA-N 1 3 256.434 2.377 20 30 CEEDHO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246032141 813665824 /nfs/dbraw/zinc/66/58/24/813665824.db2.gz RRMAINBUNUOARW-RBSFLKMASA-N 1 3 256.434 2.377 20 30 CEEDHO C=C(C)C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681253 814170233 /nfs/dbraw/zinc/17/02/33/814170233.db2.gz DJFXKYBGPODWLL-UHFFFAOYSA-N 1 3 295.471 2.025 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171247520 814223495 /nfs/dbraw/zinc/22/34/95/814223495.db2.gz LLWUWZUYZINGRP-HOCLYGCPSA-N 1 3 295.471 2.167 20 30 CEEDHO C=C(C)C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948238 816499261 /nfs/dbraw/zinc/49/92/61/816499261.db2.gz LXQMMXCLGQJKNJ-UHFFFAOYSA-N 1 3 289.423 2.034 20 30 CEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902189 816812676 /nfs/dbraw/zinc/81/26/76/816812676.db2.gz DYELFNPJTRMOHW-HOCLYGCPSA-N 1 3 293.455 2.016 20 30 CEEDHO CCCNC(=[NH2+])NC[C@@H]1CCCN1CCc1ccccc1 ZINC000079917697 343993954 /nfs/dbraw/zinc/99/39/54/343993954.db2.gz JTHOWASJVRMCEV-INIZCTEOSA-N 1 3 288.439 2.008 20 30 CEEDHO CCN1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000337878499 214297773 /nfs/dbraw/zinc/29/77/73/214297773.db2.gz PVRUQFGHIAIKPP-GFCCVEGCSA-N 1 3 263.410 2.441 20 30 CEEDHO C=CCC1([NH2+][C@H]2CCN3CCC[C@H]3C2)CCOCC1 ZINC000668552439 539196704 /nfs/dbraw/zinc/19/67/04/539196704.db2.gz MGEHPAXJEFICQW-GJZGRUSLSA-N 1 3 264.413 2.328 20 30 CEEDHO N#Cc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000592470970 345358421 /nfs/dbraw/zinc/35/84/21/345358421.db2.gz PXTAJIAXPDLWDW-BPLDGKMQSA-N 1 3 273.355 2.175 20 30 CEEDHO N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000593730199 345528678 /nfs/dbraw/zinc/52/86/78/345528678.db2.gz LPHUPMKAYWMLJI-RCCFBDPRSA-N 1 3 299.418 2.419 20 30 CEEDHO CC[NH2+]Cc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594424383 345625072 /nfs/dbraw/zinc/62/50/72/345625072.db2.gz CKXKXLZGJOZKQY-CQSZACIVSA-N 1 3 288.395 2.146 20 30 CEEDHO C[C@@H]1C[C@@H](C)N(CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595891115 345908125 /nfs/dbraw/zinc/90/81/25/345908125.db2.gz ALTMNOVBUFPBQG-CKEIUWERSA-N 1 3 271.408 2.406 20 30 CEEDHO C[C@@H]1C[C@@H](C)[N@H+](CCc2ccc(C#N)cc2)C[C@H]1CN ZINC000595891115 345908126 /nfs/dbraw/zinc/90/81/26/345908126.db2.gz ALTMNOVBUFPBQG-CKEIUWERSA-N 1 3 271.408 2.406 20 30 CEEDHO C[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1CN ZINC000595891115 345908127 /nfs/dbraw/zinc/90/81/27/345908127.db2.gz ALTMNOVBUFPBQG-CKEIUWERSA-N 1 3 271.408 2.406 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000602594016 347092280 /nfs/dbraw/zinc/09/22/80/347092280.db2.gz OIASMVHRDWOVOI-HUUCEWRRSA-N 1 3 279.428 2.017 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000602594016 347092283 /nfs/dbraw/zinc/09/22/83/347092283.db2.gz OIASMVHRDWOVOI-HUUCEWRRSA-N 1 3 279.428 2.017 20 30 CEEDHO N#C[C@H]1CC[C@@H](N2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848381 347223648 /nfs/dbraw/zinc/22/36/48/347223648.db2.gz MPUORDGVBGDGGE-GOEBONIOSA-N 1 3 270.380 2.286 20 30 CEEDHO CCN(CC)C(=[NH2+])NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195291391 370122663 /nfs/dbraw/zinc/12/26/63/370122663.db2.gz YUMPZNROAGTSQO-INIZCTEOSA-N 1 3 288.439 2.165 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000248169077 371167322 /nfs/dbraw/zinc/16/73/22/371167322.db2.gz UJXJPQWECWHXIS-ZMSDIMECSA-N 1 3 279.472 2.345 20 30 CEEDHO COc1ccc(NC(=[NH2+])NCCN2CCCCCC2)cc1 ZINC000264130717 371975629 /nfs/dbraw/zinc/97/56/29/371975629.db2.gz XYVWJCOSPQJNRG-UHFFFAOYSA-N 1 3 290.411 2.298 20 30 CEEDHO COCC[N@H+](C)CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353387393 220056685 /nfs/dbraw/zinc/05/66/85/220056685.db2.gz OLRJOYWIVDNCSW-KRWDZBQOSA-N 1 3 287.407 2.103 20 30 CEEDHO COCC[N@@H+](C)CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353387393 220056689 /nfs/dbraw/zinc/05/66/89/220056689.db2.gz OLRJOYWIVDNCSW-KRWDZBQOSA-N 1 3 287.407 2.103 20 30 CEEDHO CN1CCN(CC2(C)CC[NH+](CCCCC#N)CC2)CC1 ZINC000375235139 374646297 /nfs/dbraw/zinc/64/62/97/374646297.db2.gz WTULOAULTTWCEK-UHFFFAOYSA-N 1 3 292.471 2.030 20 30 CEEDHO C=CCC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000305065214 379617983 /nfs/dbraw/zinc/61/79/83/379617983.db2.gz HOZQVSATIRBTMW-GJZGRUSLSA-N 1 3 254.418 2.120 20 30 CEEDHO C=CCC[C@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000305065214 379617992 /nfs/dbraw/zinc/61/79/92/379617992.db2.gz HOZQVSATIRBTMW-GJZGRUSLSA-N 1 3 254.418 2.120 20 30 CEEDHO N#Cc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000333864120 380166561 /nfs/dbraw/zinc/16/65/61/380166561.db2.gz QQIIYWOACDIDJS-ZWKOTPCHSA-N 1 3 299.418 2.277 20 30 CEEDHO CCCNC(=[NH2+])NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000303866010 394480171 /nfs/dbraw/zinc/48/01/71/394480171.db2.gz CCRFQAGYGWUPFR-CYBMUJFWSA-N 1 3 294.468 2.274 20 30 CEEDHO CCC[N@H+](CCN1CCN(CC)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339202070 394950373 /nfs/dbraw/zinc/95/03/73/394950373.db2.gz GQXFZPPSPUSVBI-IRXDYDNUSA-N 1 3 292.471 2.028 20 30 CEEDHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339202070 394950378 /nfs/dbraw/zinc/95/03/78/394950378.db2.gz GQXFZPPSPUSVBI-IRXDYDNUSA-N 1 3 292.471 2.028 20 30 CEEDHO C=CCCCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000568107494 395549341 /nfs/dbraw/zinc/54/93/41/395549341.db2.gz OTGQUEPLZFIWQQ-BZUAXINKSA-N 1 3 266.429 2.480 20 30 CEEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000651794292 401393315 /nfs/dbraw/zinc/39/33/15/401393315.db2.gz PZDUBDUDFZYTCD-HZPDHXFCSA-N 1 3 279.472 2.347 20 30 CEEDHO Cn1cc(CNCc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000190698779 153142005 /nfs/dbraw/zinc/14/20/05/153142005.db2.gz BWYQMFSSDVRSSA-UHFFFAOYSA-N 1 3 282.391 2.248 20 30 CEEDHO Cc1ccc(NC(=[NH2+])NC[C@H](C)CN(C)C)cc1C ZINC000292008891 263127136 /nfs/dbraw/zinc/12/71/36/263127136.db2.gz YLRDBIVTGOTKNL-NSHDSACASA-N 1 3 262.401 2.228 20 30 CEEDHO C=CCC[C@H](O)CN(C)C1CC[NH+](CCC)CC1 ZINC000128544907 264290525 /nfs/dbraw/zinc/29/05/25/264290525.db2.gz QKQPZKAQZAEKIF-HNNXBMFYSA-N 1 3 254.418 2.120 20 30 CEEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000357793770 266362831 /nfs/dbraw/zinc/36/28/31/266362831.db2.gz IHNHLNKALRDIBM-ZDUSSCGKSA-N 1 3 271.364 2.058 20 30 CEEDHO C[N@H+](C[C@H]1CC12CCN(CCCC#N)CC2)C1CC1 ZINC000362617607 267024804 /nfs/dbraw/zinc/02/48/04/267024804.db2.gz RVNNPRALWQGGOT-CQSZACIVSA-N 1 3 261.413 2.486 20 30 CEEDHO C[N@@H+](C[C@H]1CC12CCN(CCCC#N)CC2)C1CC1 ZINC000362617607 267024805 /nfs/dbraw/zinc/02/48/05/267024805.db2.gz RVNNPRALWQGGOT-CQSZACIVSA-N 1 3 261.413 2.486 20 30 CEEDHO C[C@H](CC[NH+]=C(N(C)C)N(C)C)N(C)Cc1ccccc1 ZINC000266997082 328171252 /nfs/dbraw/zinc/17/12/52/328171252.db2.gz YBQMDKNATQJWID-OAHLLOKOSA-N 1 3 290.455 2.376 20 30 CEEDHO CCN(CCNC(=[NH2+])Nc1cc(F)ccc1F)C1CC1 ZINC000288666543 328253364 /nfs/dbraw/zinc/25/33/64/328253364.db2.gz HDZAMRSCSAISHH-UHFFFAOYSA-N 1 3 282.338 2.176 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262678260 330026318 /nfs/dbraw/zinc/02/63/18/330026318.db2.gz RYRUOUYOLKICTK-TZMCWYRMSA-N 1 3 292.452 2.221 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000262678257 330026375 /nfs/dbraw/zinc/02/63/75/330026375.db2.gz RYRUOUYOLKICTK-OCCSQVGLSA-N 1 3 292.452 2.221 20 30 CEEDHO CN(C)C1(CNC(=[NH2+])NCC2CCC2)CCCCCC1 ZINC000263276425 330051405 /nfs/dbraw/zinc/05/14/05/330051405.db2.gz YMZZIQYHZVAMHX-UHFFFAOYSA-N 1 3 280.460 2.345 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000424374032 330348251 /nfs/dbraw/zinc/34/82/51/330348251.db2.gz IOQOXJQOEVVFCR-NNXHMXCWSA-N 1 3 278.440 2.478 20 30 CEEDHO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000742207426 574841723 /nfs/dbraw/zinc/84/17/23/574841723.db2.gz XYDYIBXLYPQMJL-CJNGLKHVSA-N 1 3 287.407 2.387 20 30 CEEDHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCC#N)cc1 ZINC000817917398 633775827 /nfs/dbraw/zinc/77/58/27/633775827.db2.gz FMYUHGQHVXYZKE-XJKSGUPXSA-N 1 3 273.380 2.067 20 30 CEEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000911682433 638354070 /nfs/dbraw/zinc/35/40/70/638354070.db2.gz NBPONMYQHPUKII-HNNXBMFYSA-N 1 3 275.396 2.418 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911857184 638446326 /nfs/dbraw/zinc/44/63/26/638446326.db2.gz UKBPUCDQJGHKDT-SWLSCSKDSA-N 1 3 275.396 2.006 20 30 CEEDHO C=C(C[NH+](C)C)C(=O)Nc1cnccc1NC(CC)CC ZINC000848108910 641895192 /nfs/dbraw/zinc/89/51/92/641895192.db2.gz YAUWSIPYJSKNTA-UHFFFAOYSA-N 1 3 290.411 2.160 20 30 CEEDHO N#CCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849017589 642233329 /nfs/dbraw/zinc/23/33/29/642233329.db2.gz UZVCZBDOVPKRJO-UHFFFAOYSA-N 1 3 299.422 2.069 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001000375294 642596358 /nfs/dbraw/zinc/59/63/58/642596358.db2.gz CCLLGJZYJRNOKW-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C#CCCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000878287758 651054292 /nfs/dbraw/zinc/05/42/92/651054292.db2.gz IOCQDGMVDLMRCO-BRWVUGGUSA-N 1 3 278.440 2.364 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001088381783 806174147 /nfs/dbraw/zinc/17/41/47/806174147.db2.gz MMAXMKNJSOHNRF-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001267116898 803140140 /nfs/dbraw/zinc/14/01/40/803140140.db2.gz JIQJIYGQRXMYRI-CVEARBPZSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038240499 803177933 /nfs/dbraw/zinc/17/79/33/803177933.db2.gz QJNPYOBIOBZFSF-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038240499 803177939 /nfs/dbraw/zinc/17/79/39/803177939.db2.gz QJNPYOBIOBZFSF-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCCC[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225582966 804974115 /nfs/dbraw/zinc/97/41/15/804974115.db2.gz XJMDVWDRNCLYEA-UHFFFAOYSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CC[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCC1 ZINC001269576046 805203746 /nfs/dbraw/zinc/20/37/46/805203746.db2.gz VIBRCTWODCOJCX-UHFFFAOYSA-N 1 3 295.471 2.169 20 30 CEEDHO O=C1C=C2CN(C3CC[NH+](CC4CC4)CC3)CCC2S1 ZINC001168378801 807023450 /nfs/dbraw/zinc/02/34/50/807023450.db2.gz VEDSNZRJUWKJEB-HNNXBMFYSA-N 1 3 292.448 2.135 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171509254 815189764 /nfs/dbraw/zinc/18/97/64/815189764.db2.gz NUJNHBKCZAIGJH-HUUCEWRRSA-N 1 3 283.460 2.167 20 30 CEEDHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120207695 815204332 /nfs/dbraw/zinc/20/43/32/815204332.db2.gz AYKDFVXDVVNFLQ-UHFFFAOYSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC001121991363 815374738 /nfs/dbraw/zinc/37/47/38/815374738.db2.gz OWHKWPBJSJXSTM-OAHLLOKOSA-N 1 3 275.396 2.370 20 30 CEEDHO C[C@@H](CCCC#N)N1CCN(c2cc[nH+]cc2)CC1 ZINC001172493924 815452743 /nfs/dbraw/zinc/45/27/43/815452743.db2.gz PNDQTBCHHSGUAY-AWEZNQCLSA-N 1 3 258.369 2.286 20 30 CEEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156623898 811850120 /nfs/dbraw/zinc/85/01/20/811850120.db2.gz QSARECURAOQZJL-CYBMUJFWSA-N 1 3 292.427 2.053 20 30 CEEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156623898 811850128 /nfs/dbraw/zinc/85/01/28/811850128.db2.gz QSARECURAOQZJL-CYBMUJFWSA-N 1 3 292.427 2.053 20 30 CEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052620895 813013798 /nfs/dbraw/zinc/01/37/98/813013798.db2.gz VAZVHDQBLQXBGZ-HNNXBMFYSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001052620895 813013809 /nfs/dbraw/zinc/01/38/09/813013809.db2.gz VAZVHDQBLQXBGZ-HNNXBMFYSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584611 813293311 /nfs/dbraw/zinc/29/33/11/813293311.db2.gz VOYOGTUCAYKAIE-HUUCEWRRSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)CC[NH2+]CCNC(=O)CN(C)CCCCCC ZINC001135436866 813436019 /nfs/dbraw/zinc/43/60/19/813436019.db2.gz DHJZZNTUCJWRCE-UHFFFAOYSA-N 1 3 283.460 2.171 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135980590 813577759 /nfs/dbraw/zinc/57/77/59/813577759.db2.gz QHBYDFVEYIKJJK-CABCVRRESA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136035309 813591329 /nfs/dbraw/zinc/59/13/29/813591329.db2.gz MTDCALQEUQKXES-OLZOCXBDSA-N 1 3 292.427 2.100 20 30 CEEDHO C=CCCCCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426088 813867311 /nfs/dbraw/zinc/86/73/11/813867311.db2.gz DBEGTWRZWAZBNK-INIZCTEOSA-N 1 3 297.487 2.415 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171238642 814210149 /nfs/dbraw/zinc/21/01/49/814210149.db2.gz XDLCVXBQLPKRLX-OAHLLOKOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176759538 816472867 /nfs/dbraw/zinc/47/28/67/816472867.db2.gz JHVNIVFJIPILQQ-CVEARBPZSA-N 1 3 295.471 2.311 20 30 CEEDHO C[NH+](C)CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000042393543 362091480 /nfs/dbraw/zinc/09/14/80/362091480.db2.gz UVYQCMDRCUCNBL-UHFFFAOYSA-N 1 3 257.381 2.332 20 30 CEEDHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000591581808 345266887 /nfs/dbraw/zinc/26/68/87/345266887.db2.gz WFYWMSZDDRXTAP-XHDPSFHLSA-N 1 3 273.355 2.490 20 30 CEEDHO N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000593730195 345528871 /nfs/dbraw/zinc/52/88/71/345528871.db2.gz LPHUPMKAYWMLJI-KURKYZTESA-N 1 3 299.418 2.419 20 30 CEEDHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594424382 345625145 /nfs/dbraw/zinc/62/51/45/345625145.db2.gz CKXKXLZGJOZKQY-AWEZNQCLSA-N 1 3 288.395 2.146 20 30 CEEDHO COC[C@H](CCC[NH3+])NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584681 345651771 /nfs/dbraw/zinc/65/17/71/345651771.db2.gz BLSQNLXGTHJZSL-INIZCTEOSA-N 1 3 287.407 2.281 20 30 CEEDHO C[NH+]1CCC2(CCN(CCOc3ccccc3C#N)C2)CC1 ZINC000602878071 347235104 /nfs/dbraw/zinc/23/51/04/347235104.db2.gz TZKWEZXPUQYCQT-UHFFFAOYSA-N 1 3 299.418 2.355 20 30 CEEDHO C[NH+](C)CCOc1ccc(CNCCCC#N)cc1 ZINC000612191977 347855513 /nfs/dbraw/zinc/85/55/13/347855513.db2.gz FFASQQYXTAKEFI-UHFFFAOYSA-N 1 3 261.369 2.020 20 30 CEEDHO CCN(C)C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337190064 366064864 /nfs/dbraw/zinc/06/48/64/366064864.db2.gz RMKHGBBHAAFCBY-MRXNPFEDSA-N 1 3 293.455 2.361 20 30 CEEDHO CCN(C)C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337190064 366064869 /nfs/dbraw/zinc/06/48/69/366064869.db2.gz RMKHGBBHAAFCBY-MRXNPFEDSA-N 1 3 293.455 2.361 20 30 CEEDHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C(C)C#N ZINC000345898261 368474944 /nfs/dbraw/zinc/47/49/44/368474944.db2.gz CUPYLYSMBVYIFI-AWEZNQCLSA-N 1 3 265.401 2.259 20 30 CEEDHO C[C@@H](CCC#N)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351413568 369635409 /nfs/dbraw/zinc/63/54/09/369635409.db2.gz MDJKIIYWSQNJMT-HRCADAONSA-N 1 3 293.455 2.500 20 30 CEEDHO C=C(C)CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000351759761 369651301 /nfs/dbraw/zinc/65/13/01/369651301.db2.gz STHIAOWDSVYTDV-RRFJBIMHSA-N 1 3 252.402 2.136 20 30 CEEDHO CC(C#N)C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000359553502 371469261 /nfs/dbraw/zinc/46/92/61/371469261.db2.gz SFPPVTLRQIVUPN-CYBMUJFWSA-N 1 3 265.401 2.307 20 30 CEEDHO CN(C)C1(CNC(=[NH2+])Nc2ccccn2)CCCCCC1 ZINC000263107125 394626655 /nfs/dbraw/zinc/62/66/55/394626655.db2.gz DAUUVLJXPQSFDA-UHFFFAOYSA-N 1 3 289.427 2.463 20 30 CEEDHO Cc1ccc(NC(=[NH2+])NCC2=CCN(C)CC2)cc1C ZINC000271796123 394764280 /nfs/dbraw/zinc/76/42/80/394764280.db2.gz KBADVOYFUJWVCQ-UHFFFAOYSA-N 1 3 272.396 2.292 20 30 CEEDHO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)CCC#N)C1 ZINC000411309188 395326949 /nfs/dbraw/zinc/32/69/49/395326949.db2.gz QRXVVKPQCNQYLY-CABCVRRESA-N 1 3 267.417 2.111 20 30 CEEDHO C[N@@H+]1CCC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040007 395572631 /nfs/dbraw/zinc/57/26/31/395572631.db2.gz PYLOABWVPKKNIV-PBHICJAKSA-N 1 3 269.392 2.477 20 30 CEEDHO C[N@H+]1CCC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040007 395572632 /nfs/dbraw/zinc/57/26/32/395572632.db2.gz PYLOABWVPKKNIV-PBHICJAKSA-N 1 3 269.392 2.477 20 30 CEEDHO C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1 ZINC000651952922 401422971 /nfs/dbraw/zinc/42/29/71/401422971.db2.gz IETLKLYORKZOFO-DLBZAZTESA-N 1 3 279.472 2.348 20 30 CEEDHO C=C(C)COCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000163502099 264356947 /nfs/dbraw/zinc/35/69/47/264356947.db2.gz QKGMDFKHBJMAPI-ZNMIVQPWSA-N 1 3 252.402 2.089 20 30 CEEDHO CC[NH+](CC)CCOCCNCc1ccc(C#N)c(F)c1 ZINC000421341607 267058451 /nfs/dbraw/zinc/05/84/51/267058451.db2.gz KOQDLHDBFFIOBM-UHFFFAOYSA-N 1 3 293.386 2.145 20 30 CEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C(C)C ZINC000165199555 277851942 /nfs/dbraw/zinc/85/19/42/277851942.db2.gz GOPAOXCLRWEHFL-HUUCEWRRSA-N 1 3 295.471 2.175 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573497546 327186662 /nfs/dbraw/zinc/18/66/62/327186662.db2.gz UOWISWWTTGIRJA-YPMHNXCESA-N 1 3 293.798 2.261 20 30 CEEDHO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCCN2CCCC2)O1 ZINC000378448104 329050689 /nfs/dbraw/zinc/05/06/89/329050689.db2.gz BPFVTQXYEXXILN-QBPKDAKJSA-N 1 3 291.439 2.302 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H](C)c2cnccc2N)CC1 ZINC000422983459 330162678 /nfs/dbraw/zinc/16/26/78/330162678.db2.gz ZOQAQIIQSZANDJ-CYBMUJFWSA-N 1 3 274.412 2.185 20 30 CEEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnccc2N)CC1 ZINC000422983459 330162679 /nfs/dbraw/zinc/16/26/79/330162679.db2.gz ZOQAQIIQSZANDJ-CYBMUJFWSA-N 1 3 274.412 2.185 20 30 CEEDHO C=CC[C@H](CO)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423019378 330165777 /nfs/dbraw/zinc/16/57/77/330165777.db2.gz VKMFZHDTNHMMKJ-ILXRZTDVSA-N 1 3 254.418 2.071 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(F)c(OC)c1 ZINC000328104903 330314039 /nfs/dbraw/zinc/31/40/39/330314039.db2.gz MFYBMWJYDYTCGP-CYBMUJFWSA-N 1 3 278.371 2.440 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(F)c(OC)c1 ZINC000328104903 330314040 /nfs/dbraw/zinc/31/40/40/330314040.db2.gz MFYBMWJYDYTCGP-CYBMUJFWSA-N 1 3 278.371 2.440 20 30 CEEDHO CN(C)CCN1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449072372 330897194 /nfs/dbraw/zinc/89/71/94/330897194.db2.gz FNHDYWDPTFBXPB-UHFFFAOYSA-N 1 3 292.471 2.074 20 30 CEEDHO C=C(C)COCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000163552223 331056020 /nfs/dbraw/zinc/05/60/20/331056020.db2.gz CHPYLYHKRUYKNW-HRCADAONSA-N 1 3 266.429 2.480 20 30 CEEDHO CC(C)(C)NC(=[NH2+])NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000195291218 331166708 /nfs/dbraw/zinc/16/67/08/331166708.db2.gz WKSXYUQYFAQLTF-OAHLLOKOSA-N 1 3 288.439 2.211 20 30 CEEDHO C=C(C)CN1CCC(NC(=O)[C@H](CCC)[NH2+]C(C)C)CC1 ZINC000353312868 526597324 /nfs/dbraw/zinc/59/73/24/526597324.db2.gz IETQIZFEQHHOCW-INIZCTEOSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)CN1CCC(NC(=O)[C@@H](CCC)[NH2+]C(C)C)CC1 ZINC000353312869 526597650 /nfs/dbraw/zinc/59/76/50/526597650.db2.gz IETQIZFEQHHOCW-MRXNPFEDSA-N 1 3 295.471 2.310 20 30 CEEDHO C[C@@H]1CCC[C@@H]([NH+]2CCC(=Nn3cnnc3)CC2)C1 ZINC000733743529 574686119 /nfs/dbraw/zinc/68/61/19/574686119.db2.gz XCULTPXDKDPJGI-TZMCWYRMSA-N 1 3 261.373 2.157 20 30 CEEDHO C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001026491718 628336310 /nfs/dbraw/zinc/33/63/10/628336310.db2.gz JUTQRDUZFPABER-GPANFISMSA-N 1 3 293.455 2.062 20 30 CEEDHO C#C[C@H](CC)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000809686209 632126756 /nfs/dbraw/zinc/12/67/56/632126756.db2.gz ALRGAOZAQUNAKY-OAHLLOKOSA-N 1 3 260.381 2.128 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000999152887 642464339 /nfs/dbraw/zinc/46/43/39/642464339.db2.gz MTBWEUUIZVOMGL-OAHLLOKOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923413391 643701984 /nfs/dbraw/zinc/70/19/84/643701984.db2.gz FOHRZOCNYPOSNP-DZGCQCFKSA-N 1 3 254.418 2.010 20 30 CEEDHO C=CCC[C@H](O)C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923413391 643701979 /nfs/dbraw/zinc/70/19/79/643701979.db2.gz FOHRZOCNYPOSNP-DZGCQCFKSA-N 1 3 254.418 2.010 20 30 CEEDHO C=CC[C@H](C)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000878020802 650976062 /nfs/dbraw/zinc/97/60/62/650976062.db2.gz QMSYOKBFMABAHV-GVDBMIGSSA-N 1 3 279.472 2.441 20 30 CEEDHO CN1CC[C@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579910 651326737 /nfs/dbraw/zinc/32/67/37/651326737.db2.gz QDCFMOCGXKXRDG-IRXDYDNUSA-N 1 3 269.392 2.127 20 30 CEEDHO CN1CC[C@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579910 651326738 /nfs/dbraw/zinc/32/67/38/651326738.db2.gz QDCFMOCGXKXRDG-IRXDYDNUSA-N 1 3 269.392 2.127 20 30 CEEDHO C=CC[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240938 802598799 /nfs/dbraw/zinc/59/87/99/802598799.db2.gz WNSHOUWZLBKRFJ-UHFFFAOYSA-N 1 3 295.471 2.026 20 30 CEEDHO C=CCN(CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267242330 803281003 /nfs/dbraw/zinc/28/10/03/803281003.db2.gz GPTWDVUMKDLGTH-INIZCTEOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCN(CC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267242330 803281006 /nfs/dbraw/zinc/28/10/06/803281006.db2.gz GPTWDVUMKDLGTH-INIZCTEOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCN1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282257 803327154 /nfs/dbraw/zinc/32/71/54/803327154.db2.gz OZBXWSRTICDJNN-MRXNPFEDSA-N 1 3 293.455 2.019 20 30 CEEDHO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001284220098 804908014 /nfs/dbraw/zinc/90/80/14/804908014.db2.gz NCYLNEZHCKOHOX-LSDHHAIUSA-N 1 3 295.471 2.025 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCC1 ZINC001273166741 810077549 /nfs/dbraw/zinc/07/75/49/810077549.db2.gz UAVFTLCHVWFIJH-OAHLLOKOSA-N 1 3 293.455 2.064 20 30 CEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038322513 810823535 /nfs/dbraw/zinc/82/35/35/810823535.db2.gz SAFWKDQOYMBJBR-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001038322513 810823543 /nfs/dbraw/zinc/82/35/43/810823543.db2.gz SAFWKDQOYMBJBR-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)cc1)C2 ZINC001169078828 811375943 /nfs/dbraw/zinc/37/59/43/811375943.db2.gz HURCVCQPQWXKSF-PHZGNYQRSA-N 1 3 255.365 2.273 20 30 CEEDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C2 ZINC001169078827 811376241 /nfs/dbraw/zinc/37/62/41/811376241.db2.gz HURCVCQPQWXKSF-MUJYYYPQSA-N 1 3 255.365 2.273 20 30 CEEDHO CC[NH+](CC)CCCN1CCN([C@@H](C)CCCC#N)CC1 ZINC001172502772 815456619 /nfs/dbraw/zinc/45/66/19/815456619.db2.gz WMMVTZGDUYLAMA-KRWDZBQOSA-N 1 3 294.487 2.418 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129444281 812492882 /nfs/dbraw/zinc/49/28/82/812492882.db2.gz QBSJLGDQSFCLAZ-HNNXBMFYSA-N 1 3 283.460 2.003 20 30 CEEDHO C=C(C)CN1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433036 812848112 /nfs/dbraw/zinc/84/81/12/812848112.db2.gz JRDYKJAQRQPJFH-HOTGVXAUSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435385 812849127 /nfs/dbraw/zinc/84/91/27/812849127.db2.gz CKNXRBWBINOMKO-HOTGVXAUSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CN1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435385 812849135 /nfs/dbraw/zinc/84/91/35/812849135.db2.gz CKNXRBWBINOMKO-HOTGVXAUSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369849 813261877 /nfs/dbraw/zinc/26/18/77/813261877.db2.gz SSWHJSGHYYOJEU-LSDHHAIUSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350815 816399758 /nfs/dbraw/zinc/39/97/58/816399758.db2.gz LBSUJFZDDQZYLO-CYBMUJFWSA-N 1 3 292.427 2.101 20 30 CEEDHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533034 347068368 /nfs/dbraw/zinc/06/83/68/347068368.db2.gz YMUISWNGYYBNNO-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533034 347068371 /nfs/dbraw/zinc/06/83/71/347068371.db2.gz YMUISWNGYYBNNO-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533034 347068375 /nfs/dbraw/zinc/06/83/75/347068375.db2.gz YMUISWNGYYBNNO-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO C=CC[C@H](C)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442861196 344901572 /nfs/dbraw/zinc/90/15/72/344901572.db2.gz DBBVLZNZJTXRRO-GJZGRUSLSA-N 1 3 267.461 2.203 20 30 CEEDHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccc(C#N)cc2F)C1 ZINC000594515492 345641984 /nfs/dbraw/zinc/64/19/84/345641984.db2.gz SLQFIEREGXQESE-XBXGTLAGSA-N 1 3 261.344 2.127 20 30 CEEDHO CC1(C)CNCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595893089 345908848 /nfs/dbraw/zinc/90/88/48/345908848.db2.gz OZGXQHUFDKMXRK-HNNXBMFYSA-N 1 3 257.381 2.078 20 30 CEEDHO CC1(C)C[NH2+]CC[C@@H]1NCCc1ccc(C#N)cc1 ZINC000595893089 345908849 /nfs/dbraw/zinc/90/88/49/345908849.db2.gz OZGXQHUFDKMXRK-HNNXBMFYSA-N 1 3 257.381 2.078 20 30 CEEDHO CC(C)(C#N)C[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000598585351 346377640 /nfs/dbraw/zinc/37/76/40/346377640.db2.gz COQBIPIOYILLHO-INIZCTEOSA-N 1 3 293.455 2.095 20 30 CEEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598699646 346403227 /nfs/dbraw/zinc/40/32/27/346403227.db2.gz HFRCMRSJYISLJP-OWCLPIDISA-N 1 3 295.471 2.245 20 30 CEEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598699646 346403229 /nfs/dbraw/zinc/40/32/29/346403229.db2.gz HFRCMRSJYISLJP-OWCLPIDISA-N 1 3 295.471 2.245 20 30 CEEDHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598699646 346403232 /nfs/dbraw/zinc/40/32/32/346403232.db2.gz HFRCMRSJYISLJP-OWCLPIDISA-N 1 3 295.471 2.245 20 30 CEEDHO Cc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1C#N ZINC000600707179 346674505 /nfs/dbraw/zinc/67/45/05/346674505.db2.gz XQKBPYVYLLQYHP-UHFFFAOYSA-N 1 3 287.407 2.197 20 30 CEEDHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000130557036 365967376 /nfs/dbraw/zinc/96/73/76/365967376.db2.gz HKTBXRKZLHECMQ-OAHLLOKOSA-N 1 3 280.460 2.153 20 30 CEEDHO C=CCCC[C@@H](C)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678717357 541165497 /nfs/dbraw/zinc/16/54/97/541165497.db2.gz PFVQZCHXWXEYPS-IAGOWNOFSA-N 1 3 279.472 2.443 20 30 CEEDHO C=CCCC[C@@H](C)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678717357 541165502 /nfs/dbraw/zinc/16/55/02/541165502.db2.gz PFVQZCHXWXEYPS-IAGOWNOFSA-N 1 3 279.472 2.443 20 30 CEEDHO C=CCCC[C@H](C)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678717358 541165865 /nfs/dbraw/zinc/16/58/65/541165865.db2.gz PFVQZCHXWXEYPS-IRXDYDNUSA-N 1 3 279.472 2.443 20 30 CEEDHO C=CCCC[C@H](C)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678717358 541165867 /nfs/dbraw/zinc/16/58/67/541165867.db2.gz PFVQZCHXWXEYPS-IRXDYDNUSA-N 1 3 279.472 2.443 20 30 CEEDHO C=CCOc1cccc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000635000527 369035089 /nfs/dbraw/zinc/03/50/89/369035089.db2.gz QAQRDZWWNHLGBD-DZGCQCFKSA-N 1 3 260.381 2.278 20 30 CEEDHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1C#N ZINC000336510813 213386525 /nfs/dbraw/zinc/38/65/25/213386525.db2.gz RDILCXGNDJPFFU-QGZVFWFLSA-N 1 3 269.392 2.394 20 30 CEEDHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1C#N ZINC000336510813 213386526 /nfs/dbraw/zinc/38/65/26/213386526.db2.gz RDILCXGNDJPFFU-QGZVFWFLSA-N 1 3 269.392 2.394 20 30 CEEDHO CC[N@H+](CCCN(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000230713827 370466562 /nfs/dbraw/zinc/46/65/62/370466562.db2.gz PWURCJDNARUSFY-UHFFFAOYSA-N 1 3 275.396 2.340 20 30 CEEDHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000230713827 370466567 /nfs/dbraw/zinc/46/65/67/370466567.db2.gz PWURCJDNARUSFY-UHFFFAOYSA-N 1 3 275.396 2.340 20 30 CEEDHO C=CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364226675 372697738 /nfs/dbraw/zinc/69/77/38/372697738.db2.gz ALPVHRPNOVKPIM-GASCZTMLSA-N 1 3 266.429 2.384 20 30 CEEDHO CCC#C[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000643255216 373000523 /nfs/dbraw/zinc/00/05/23/373000523.db2.gz FWOBJKGUAVAVKG-KRWDZBQOSA-N 1 3 291.483 2.280 20 30 CEEDHO CCC#C[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000643255216 373000528 /nfs/dbraw/zinc/00/05/28/373000528.db2.gz FWOBJKGUAVAVKG-KRWDZBQOSA-N 1 3 291.483 2.280 20 30 CEEDHO CCC#C[C@H](C)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643255216 373000535 /nfs/dbraw/zinc/00/05/35/373000535.db2.gz FWOBJKGUAVAVKG-KRWDZBQOSA-N 1 3 291.483 2.280 20 30 CEEDHO C=CCc1cc(C[NH2+]C[C@@H](C)CN(C)C)cc(OC)c1O ZINC000291704637 377206893 /nfs/dbraw/zinc/20/68/93/377206893.db2.gz KMZIHNJPOQJTGY-CYBMUJFWSA-N 1 3 292.423 2.417 20 30 CEEDHO N#C[C@H]1CC[C@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000429699390 377520367 /nfs/dbraw/zinc/52/03/67/377520367.db2.gz PYRJAQRSSHYPGJ-HOTGVXAUSA-N 1 3 291.439 2.255 20 30 CEEDHO C[NH+]=C(NCc1ccccc1CN(C)C(C)C)NC1CC1 ZINC000103337898 394714669 /nfs/dbraw/zinc/71/46/69/394714669.db2.gz REZJPIGOPLXBKS-UHFFFAOYSA-N 1 3 288.439 2.354 20 30 CEEDHO CC(C#N)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000345814518 395079210 /nfs/dbraw/zinc/07/92/10/395079210.db2.gz KVDIQFQARMNXSH-MCIONIFRSA-N 1 3 265.401 2.020 20 30 CEEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CCCN(C)CC2)C1 ZINC000651952925 401422862 /nfs/dbraw/zinc/42/28/62/401422862.db2.gz IETLKLYORKZOFO-SJORKVTESA-N 1 3 279.472 2.348 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309646936 414855841 /nfs/dbraw/zinc/85/58/41/414855841.db2.gz CWYQNHOGTHMCRR-ZBFHGGJFSA-N 1 3 285.391 2.174 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309646936 414855846 /nfs/dbraw/zinc/85/58/46/414855846.db2.gz CWYQNHOGTHMCRR-ZBFHGGJFSA-N 1 3 285.391 2.174 20 30 CEEDHO CCCN(CC[NH+]1CCCCCC1)C(=O)C(C)C#N ZINC000356628846 266150421 /nfs/dbraw/zinc/15/04/21/266150421.db2.gz YTPLAOBIFRRFEG-AWEZNQCLSA-N 1 3 265.401 2.261 20 30 CEEDHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(C)C#N ZINC000357800869 266365899 /nfs/dbraw/zinc/36/58/99/266365899.db2.gz NWWKBVXUIZMUCP-CYBMUJFWSA-N 1 3 273.380 2.304 20 30 CEEDHO CN1CCC(N2CC[C@H]([NH2+]CC(C)(C)CCC#N)C2)CC1 ZINC000369670783 267258334 /nfs/dbraw/zinc/25/83/34/267258334.db2.gz BAWQCTXNYBHOGR-HNNXBMFYSA-N 1 3 292.471 2.074 20 30 CEEDHO CC#CC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000306460295 268048916 /nfs/dbraw/zinc/04/89/16/268048916.db2.gz BYAPQQNSEYXBIE-QZTJIDSGSA-N 1 3 268.404 2.464 20 30 CEEDHO CC#CC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000306460295 268048918 /nfs/dbraw/zinc/04/89/18/268048918.db2.gz BYAPQQNSEYXBIE-QZTJIDSGSA-N 1 3 268.404 2.464 20 30 CEEDHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCCSCC#N ZINC000177328085 329186289 /nfs/dbraw/zinc/18/62/89/329186289.db2.gz OTBKEIRGIPJMJT-KGLIPLIRSA-N 1 3 267.442 2.192 20 30 CEEDHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCCSCC#N ZINC000177328085 329186291 /nfs/dbraw/zinc/18/62/91/329186291.db2.gz OTBKEIRGIPJMJT-KGLIPLIRSA-N 1 3 267.442 2.192 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000422976145 330162245 /nfs/dbraw/zinc/16/22/45/330162245.db2.gz HTNKMHVOMHPHHP-HZPDHXFCSA-N 1 3 265.445 2.277 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423095888 330169883 /nfs/dbraw/zinc/16/98/83/330169883.db2.gz NJOQFXPOYIWXSI-YJNKXOJESA-N 1 3 252.402 2.075 20 30 CEEDHO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000742206506 575010686 /nfs/dbraw/zinc/01/06/86/575010686.db2.gz HPUKYVLFXDLNET-BBRMVZONSA-N 1 3 257.381 2.378 20 30 CEEDHO CC(C#N)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751051407 575282497 /nfs/dbraw/zinc/28/24/97/575282497.db2.gz VRYBVEUHTAPVAL-IYXRBSQSSA-N 1 3 263.385 2.059 20 30 CEEDHO C=C(C)CNC(=[NH2+])NC[C@H](CC(C)C)N(CC)CC ZINC000104160916 628630336 /nfs/dbraw/zinc/63/03/36/628630336.db2.gz FDJSCLMGBVFLKZ-AWEZNQCLSA-N 1 3 268.449 2.223 20 30 CEEDHO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000809729292 632133786 /nfs/dbraw/zinc/13/37/86/632133786.db2.gz DHLLHDJHGIZTRT-AWEZNQCLSA-N 1 3 275.396 2.361 20 30 CEEDHO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000809729292 632133792 /nfs/dbraw/zinc/13/37/92/632133792.db2.gz DHLLHDJHGIZTRT-AWEZNQCLSA-N 1 3 275.396 2.361 20 30 CEEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000817960027 633803279 /nfs/dbraw/zinc/80/32/79/633803279.db2.gz WOVQRCSOCSSVEV-CZUORRHYSA-N 1 3 260.381 2.333 20 30 CEEDHO C=CC[NH+]1CCC(NC[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819024268 634043492 /nfs/dbraw/zinc/04/34/92/634043492.db2.gz NBAUCSOSJMJIPX-INIZCTEOSA-N 1 3 296.361 2.238 20 30 CEEDHO C[C@H](C#N)OCCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801937813 634881883 /nfs/dbraw/zinc/88/18/83/634881883.db2.gz AKGKKTHSYQBTAO-KFWWJZLASA-N 1 3 279.428 2.158 20 30 CEEDHO C[C@H](C#N)OCCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937813 634881887 /nfs/dbraw/zinc/88/18/87/634881887.db2.gz AKGKKTHSYQBTAO-KFWWJZLASA-N 1 3 279.428 2.158 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708293 638384552 /nfs/dbraw/zinc/38/45/52/638384552.db2.gz VPXKZNNGXNCDRD-CABCVRRESA-N 1 3 283.460 2.262 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[N@@H+]1CCC[C@@H]1C ZINC000877154693 650599918 /nfs/dbraw/zinc/59/99/18/650599918.db2.gz XDWAUEKULUVVJR-GJZGRUSLSA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[N@H+]1CCC[C@@H]1C ZINC000877154693 650599924 /nfs/dbraw/zinc/59/99/24/650599924.db2.gz XDWAUEKULUVVJR-GJZGRUSLSA-N 1 3 279.428 2.159 20 30 CEEDHO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C)CN(C)C ZINC000922138695 642899758 /nfs/dbraw/zinc/89/97/58/642899758.db2.gz CAHPHVREBZMVBB-LBPRGKRZSA-N 1 3 259.397 2.462 20 30 CEEDHO C=CCC[C@H](O)CN(CCC[NH3+])Cc1ccccc1 ZINC000923348951 643672708 /nfs/dbraw/zinc/67/27/08/643672708.db2.gz PLYRJPABRJVARN-INIZCTEOSA-N 1 3 262.397 2.165 20 30 CEEDHO C=CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@@H]1CCCO1 ZINC000883173164 652389125 /nfs/dbraw/zinc/38/91/25/652389125.db2.gz DMAGRUIOSKIPFI-PMPSAXMXSA-N 1 3 266.429 2.432 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001266897266 802976521 /nfs/dbraw/zinc/97/65/21/802976521.db2.gz MBGYJKCENZWYSQ-JKSUJKDBSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001266897266 802976525 /nfs/dbraw/zinc/97/65/25/802976525.db2.gz MBGYJKCENZWYSQ-JKSUJKDBSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203456272 808511620 /nfs/dbraw/zinc/51/16/20/808511620.db2.gz UICBQMSIVCYILV-OAHLLOKOSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001034797410 809697014 /nfs/dbraw/zinc/69/70/14/809697014.db2.gz ZUAKAXOSOXPXLU-LDKKBFSKSA-N 1 3 293.455 2.062 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCC1 ZINC001273165788 810076757 /nfs/dbraw/zinc/07/67/57/810076757.db2.gz DXMVHCBRGGJDRI-HNNXBMFYSA-N 1 3 293.455 2.065 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122103474 815385139 /nfs/dbraw/zinc/38/51/39/815385139.db2.gz LOCHHNGPNHTWLJ-OAHLLOKOSA-N 1 3 293.455 2.147 20 30 CEEDHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001169098626 811370569 /nfs/dbraw/zinc/37/05/69/811370569.db2.gz KBHGQOOXZBSKQK-ZSBIGDGJSA-N 1 3 278.787 2.066 20 30 CEEDHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001169098626 811370580 /nfs/dbraw/zinc/37/05/80/811370580.db2.gz KBHGQOOXZBSKQK-ZSBIGDGJSA-N 1 3 278.787 2.066 20 30 CEEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001113571578 812279783 /nfs/dbraw/zinc/27/97/83/812279783.db2.gz WJMNWFCHQXYZPP-INIZCTEOSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCC[C@H](C)N1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001113571578 812279789 /nfs/dbraw/zinc/27/97/89/812279789.db2.gz WJMNWFCHQXYZPP-INIZCTEOSA-N 1 3 295.471 2.217 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130204911 812543844 /nfs/dbraw/zinc/54/38/44/812543844.db2.gz CXNGVNQTPDYIKK-CQSZACIVSA-N 1 3 271.449 2.003 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133833807 813162365 /nfs/dbraw/zinc/16/23/65/813162365.db2.gz GRKRGRFOHGSVBS-OAHLLOKOSA-N 1 3 283.460 2.147 20 30 CEEDHO C[Si](C)(C)C#Cc1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170900849 813626237 /nfs/dbraw/zinc/62/62/37/813626237.db2.gz QRJWLJBEYDNASC-HNNXBMFYSA-N 1 3 275.472 2.351 20 30 CEEDHO CC1(C#N)CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246554847 814027500 /nfs/dbraw/zinc/02/75/00/814027500.db2.gz DYHZJJMTAKEYIP-PNESKVBLSA-N 1 3 271.355 2.375 20 30 CEEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175273417 816167382 /nfs/dbraw/zinc/16/73/82/816167382.db2.gz RLBGHYNBOUMWHF-OAHLLOKOSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698731 816785717 /nfs/dbraw/zinc/78/57/17/816785717.db2.gz SAAUMAWXUXEMQJ-MRXNPFEDSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128323344 365783785 /nfs/dbraw/zinc/78/37/85/365783785.db2.gz MYSRWPYMMKCHLM-HZPDHXFCSA-N 1 3 267.461 2.204 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602512994 347062693 /nfs/dbraw/zinc/06/26/93/347062693.db2.gz YUEDWBGMWVJYFN-GJZGRUSLSA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602512994 347062694 /nfs/dbraw/zinc/06/26/94/347062694.db2.gz YUEDWBGMWVJYFN-GJZGRUSLSA-N 1 3 291.439 2.159 20 30 CEEDHO N#Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000595896338 345909211 /nfs/dbraw/zinc/90/92/11/345909211.db2.gz KINDBTUBNJENBI-IRXDYDNUSA-N 1 3 269.392 2.162 20 30 CEEDHO N#Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000595896338 345909213 /nfs/dbraw/zinc/90/92/13/345909213.db2.gz KINDBTUBNJENBI-IRXDYDNUSA-N 1 3 269.392 2.162 20 30 CEEDHO N#C[C@H]1CCC[C@@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000061891803 362697158 /nfs/dbraw/zinc/69/71/58/362697158.db2.gz WVYPTRHNUINBDN-CJNGLKHVSA-N 1 3 270.380 2.332 20 30 CEEDHO CC(C)[NH+]1CCC(N2CCN(CCCCC#N)CC2)CC1 ZINC000336842237 365915523 /nfs/dbraw/zinc/91/55/23/365915523.db2.gz RIAWMTOJHBBFKI-UHFFFAOYSA-N 1 3 292.471 2.171 20 30 CEEDHO C=CCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000310675847 540349671 /nfs/dbraw/zinc/34/96/71/540349671.db2.gz PJIYGEAOVJXCHN-SOUVJXGZSA-N 1 3 252.402 2.089 20 30 CEEDHO CCC#C[C@H](C)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000680431957 541412765 /nfs/dbraw/zinc/41/27/65/541412765.db2.gz ZBUVJIDNFAISKI-KRWDZBQOSA-N 1 3 291.483 2.138 20 30 CEEDHO CC(C#N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347753462 368818309 /nfs/dbraw/zinc/81/83/09/368818309.db2.gz LIQIVUDSLNWWTB-GOEBONIOSA-N 1 3 285.391 2.127 20 30 CEEDHO CC(C#N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347753462 368818312 /nfs/dbraw/zinc/81/83/12/368818312.db2.gz LIQIVUDSLNWWTB-GOEBONIOSA-N 1 3 285.391 2.127 20 30 CEEDHO COc1cc(CN2CCC[C@@H](CC[NH3+])C2)ccc1C#N ZINC000234974619 370552125 /nfs/dbraw/zinc/55/21/25/370552125.db2.gz FBPREGFIHBSKAD-ZDUSSCGKSA-N 1 3 273.380 2.128 20 30 CEEDHO C=CCCCCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767821 371554835 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C=CCOc1ccccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950848 419487355 /nfs/dbraw/zinc/48/73/55/419487355.db2.gz MBOZXGWXEYXTKY-MRXNPFEDSA-N 1 3 272.392 2.483 20 30 CEEDHO C#CCN1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000299151059 260173234 /nfs/dbraw/zinc/17/32/34/260173234.db2.gz MNNOFPVKLOACJE-UHFFFAOYSA-N 1 3 299.418 2.032 20 30 CEEDHO CC[N@@H+]1CC[C@H](N(C)CCCSCC#N)C[C@H]1C ZINC000336707758 262381836 /nfs/dbraw/zinc/38/18/36/262381836.db2.gz IUYKGFPIFLMSGA-KGLIPLIRSA-N 1 3 269.458 2.438 20 30 CEEDHO CC[N@H+]1CC[C@H](N(C)CCCSCC#N)C[C@H]1C ZINC000336707758 262381837 /nfs/dbraw/zinc/38/18/37/262381837.db2.gz IUYKGFPIFLMSGA-KGLIPLIRSA-N 1 3 269.458 2.438 20 30 CEEDHO C[N@H+](C[C@@H]1CC12CCN(CCCC#N)CC2)C1CC1 ZINC000362617606 267024838 /nfs/dbraw/zinc/02/48/38/267024838.db2.gz RVNNPRALWQGGOT-AWEZNQCLSA-N 1 3 261.413 2.486 20 30 CEEDHO C[N@@H+](C[C@@H]1CC12CCN(CCCC#N)CC2)C1CC1 ZINC000362617606 267024840 /nfs/dbraw/zinc/02/48/40/267024840.db2.gz RVNNPRALWQGGOT-AWEZNQCLSA-N 1 3 261.413 2.486 20 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/nfs/dbraw/zinc/97/06/14/371970614.db2.gz NHRPMAOVHBWBNF-CQSZACIVSA-N 1 3 294.830 2.229 20 30 CEEDHO C=CC[C@@H]1CC[C@@H](N[C@H](CO)CC[NH+](CC)CC)C1 ZINC000641770693 372713700 /nfs/dbraw/zinc/71/37/00/372713700.db2.gz ZUOHIHHIEZSJNS-OAGGEKHMSA-N 1 3 268.445 2.414 20 30 CEEDHO CN1CCC[C@]2(CC[N@H+](CCOc3ccccc3C#N)C2)C1 ZINC000292834816 377304582 /nfs/dbraw/zinc/30/45/82/377304582.db2.gz ASERGQNTPSKHAF-SFHVURJKSA-N 1 3 299.418 2.355 20 30 CEEDHO CN1CCC[C@]2(CC[N@@H+](CCOc3ccccc3C#N)C2)C1 ZINC000292834816 377304589 /nfs/dbraw/zinc/30/45/89/377304589.db2.gz ASERGQNTPSKHAF-SFHVURJKSA-N 1 3 299.418 2.355 20 30 CEEDHO C=CC[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000428385681 377493119 /nfs/dbraw/zinc/49/31/19/377493119.db2.gz QZIPTWYVAIGTRH-UHFFFAOYSA-N 1 3 273.424 2.446 20 30 CEEDHO C=CC[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000428385681 377493121 /nfs/dbraw/zinc/49/31/21/377493121.db2.gz QZIPTWYVAIGTRH-UHFFFAOYSA-N 1 3 273.424 2.446 20 30 CEEDHO C=CCOc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000565489706 377666674 /nfs/dbraw/zinc/66/66/74/377666674.db2.gz BDMHCQIXKOLNDR-UHFFFAOYSA-N 1 3 260.381 2.437 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1sc(C)nc1C ZINC000294965882 378033224 /nfs/dbraw/zinc/03/32/24/378033224.db2.gz JPLCSGPFZJFJMI-LLVKDONJSA-N 1 3 265.426 2.366 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@H](C)c1sc(C)nc1C ZINC000294965882 378033229 /nfs/dbraw/zinc/03/32/29/378033229.db2.gz JPLCSGPFZJFJMI-LLVKDONJSA-N 1 3 265.426 2.366 20 30 CEEDHO CC#CCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000155368098 395027426 /nfs/dbraw/zinc/02/74/26/395027426.db2.gz UKIHYUKLPCBXAP-HZPDHXFCSA-N 1 3 278.440 2.221 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000152987883 394999525 /nfs/dbraw/zinc/99/95/25/394999525.db2.gz UJXJPQWECWHXIS-HLLBOEOZSA-N 1 3 279.472 2.345 20 30 CEEDHO C#CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290377273 395101234 /nfs/dbraw/zinc/10/12/34/395101234.db2.gz HWERWMHLWYMXPW-QAPCUYQASA-N 1 3 286.419 2.471 20 30 CEEDHO C#CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290377273 395101237 /nfs/dbraw/zinc/10/12/37/395101237.db2.gz HWERWMHLWYMXPW-QAPCUYQASA-N 1 3 286.419 2.471 20 30 CEEDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000440619158 395335671 /nfs/dbraw/zinc/33/56/71/395335671.db2.gz WZMZKAYFJPKLKK-OAHLLOKOSA-N 1 3 287.407 2.388 20 30 CEEDHO C=CCOCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665263096 415655182 /nfs/dbraw/zinc/65/51/82/415655182.db2.gz GCNAKNMYGSMGPZ-ZNMIVQPWSA-N 1 3 252.402 2.089 20 30 CEEDHO C=CCOCCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665262969 415657067 /nfs/dbraw/zinc/65/70/67/415657067.db2.gz CXLGVQMHWDOGQJ-HUUCEWRRSA-N 1 3 254.418 2.480 20 30 CEEDHO CN(C)CCOC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000353527389 228115384 /nfs/dbraw/zinc/11/53/84/228115384.db2.gz CYNHXMHFUQWTJK-UHFFFAOYSA-N 1 3 281.444 2.359 20 30 CEEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC1(CC#N)CC1 ZINC000366761859 263390367 /nfs/dbraw/zinc/39/03/67/263390367.db2.gz VXQBCXUBQLJULI-PMPSAXMXSA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC1(CC#N)CC1 ZINC000366761859 263390368 /nfs/dbraw/zinc/39/03/68/263390368.db2.gz VXQBCXUBQLJULI-PMPSAXMXSA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@H](CCC#N)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000351266899 298364564 /nfs/dbraw/zinc/36/45/64/298364564.db2.gz GRRDTNURBJSQMB-OAHLLOKOSA-N 1 3 279.428 2.255 20 30 CEEDHO C=CCCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261563084 329971099 /nfs/dbraw/zinc/97/10/99/329971099.db2.gz GVLISLBGNIXUCU-RRFJBIMHSA-N 1 3 252.402 2.089 20 30 CEEDHO CN(C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C1CC1 ZINC000262301887 330005097 /nfs/dbraw/zinc/00/50/97/330005097.db2.gz QLIDRIPUFJRGNC-CYBMUJFWSA-N 1 3 282.338 2.032 20 30 CEEDHO C=CCCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423046960 330167021 /nfs/dbraw/zinc/16/70/21/330167021.db2.gz FLPNYARBZKGTFX-RRFJBIMHSA-N 1 3 252.402 2.089 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423158681 330173788 /nfs/dbraw/zinc/17/37/88/330173788.db2.gz WYGYNDQEMJGARZ-XQLPTFJDSA-N 1 3 252.402 2.230 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000521993962 333229532 /nfs/dbraw/zinc/22/95/32/333229532.db2.gz QTHWFUCJPGNASQ-RBOXIYTFSA-N 1 3 275.396 2.090 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237888443 333381915 /nfs/dbraw/zinc/38/19/15/333381915.db2.gz HIUJCKZOFWZRJW-HZPDHXFCSA-N 1 3 293.455 2.051 20 30 CEEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)C#N ZINC000347133671 528778646 /nfs/dbraw/zinc/77/86/46/528778646.db2.gz KVCDHMZSDLAFRU-CYBMUJFWSA-N 1 3 273.380 2.256 20 30 CEEDHO C=C(C)C[NH2+]C1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001026561184 628358505 /nfs/dbraw/zinc/35/85/05/628358505.db2.gz RSUTZHAMSGEQDA-QQFBHYJXSA-N 1 3 293.455 2.064 20 30 CEEDHO C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000895296661 630089351 /nfs/dbraw/zinc/08/93/51/630089351.db2.gz ARYXYQWJYRJXNS-KBPBESRZSA-N 1 3 275.396 2.407 20 30 CEEDHO C#C[C@@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000809683975 632127252 /nfs/dbraw/zinc/12/72/52/632127252.db2.gz UDKZQSHRBDRIIX-OAHLLOKOSA-N 1 3 272.392 2.273 20 30 CEEDHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cc(C#N)ccn1 ZINC000902975826 634915742 /nfs/dbraw/zinc/91/57/42/634915742.db2.gz JOZXKINLCGGWQW-ZDUSSCGKSA-N 1 3 284.407 2.478 20 30 CEEDHO CC(C)(Cc1ccc(C#N)cc1)[NH2+]CC12CC(C1)CN2 ZINC000903987388 635407164 /nfs/dbraw/zinc/40/71/64/635407164.db2.gz FALQJFPOXGOXDN-UHFFFAOYSA-N 1 3 269.392 2.221 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1C[NH2+]CC ZINC000876509629 650295852 /nfs/dbraw/zinc/29/58/52/650295852.db2.gz MASDAHMSYADQQU-LBPRGKRZSA-N 1 3 281.787 2.205 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)N(CC)CCC[NH+](CC)CC ZINC000876885982 650474069 /nfs/dbraw/zinc/47/40/69/650474069.db2.gz SGHZFVYLQKPXGT-ZDUSSCGKSA-N 1 3 289.851 2.037 20 30 CEEDHO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001000375295 642596176 /nfs/dbraw/zinc/59/61/76/642596176.db2.gz CCLLGJZYJRNOKW-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109340 643311717 /nfs/dbraw/zinc/31/17/17/643311717.db2.gz ZPCOCHGVKXMZAM-ZWKOTPCHSA-N 1 3 299.418 2.009 20 30 CEEDHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109340 643311721 /nfs/dbraw/zinc/31/17/21/643311721.db2.gz ZPCOCHGVKXMZAM-ZWKOTPCHSA-N 1 3 299.418 2.009 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@@H]1CCCCC[C@@H]1[NH3+])C2 ZINC000873274445 649620867 /nfs/dbraw/zinc/62/08/67/649620867.db2.gz DHIHAVASHDISKB-IXDOHACOSA-N 1 3 269.392 2.275 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879042 804314174 /nfs/dbraw/zinc/31/41/74/804314174.db2.gz LYHPPOVXBKFGMW-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879042 804314184 /nfs/dbraw/zinc/31/41/84/804314184.db2.gz LYHPPOVXBKFGMW-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001269799208 805255196 /nfs/dbraw/zinc/25/51/96/805255196.db2.gz SKNUVHCVEHIAOU-INIZCTEOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC001121987622 815374212 /nfs/dbraw/zinc/37/42/12/815374212.db2.gz DFYQDJVFESEHFD-OAHLLOKOSA-N 1 3 281.444 2.003 20 30 CEEDHO C=CCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132508031 812874177 /nfs/dbraw/zinc/87/41/77/812874177.db2.gz BPKFLUHAGVGVPY-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369848 813261992 /nfs/dbraw/zinc/26/19/92/813261992.db2.gz SSWHJSGHYYOJEU-HUUCEWRRSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467787 813441843 /nfs/dbraw/zinc/44/18/43/813441843.db2.gz JTPRFTAXFBGNOY-LSDHHAIUSA-N 1 3 295.471 2.167 20 30 CEEDHO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246032139 813665534 /nfs/dbraw/zinc/66/55/34/813665534.db2.gz RRMAINBUNUOARW-QLFBSQMISA-N 1 3 256.434 2.377 20 30 CEEDHO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246032139 813665536 /nfs/dbraw/zinc/66/55/36/813665536.db2.gz RRMAINBUNUOARW-QLFBSQMISA-N 1 3 256.434 2.377 20 30 CEEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175272095 816166323 /nfs/dbraw/zinc/16/63/23/816166323.db2.gz HJBVWENGJPJKNP-HNNXBMFYSA-N 1 3 297.487 2.415 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693222 816784642 /nfs/dbraw/zinc/78/46/42/816784642.db2.gz LJMJRCROYGLZHP-UHFFFAOYSA-N 1 3 295.471 2.313 20 30 CEEDHO CC#CC[NH2+]CCCCCCNC(=O)C(C)(C)N(C)CC ZINC001178853698 816804257 /nfs/dbraw/zinc/80/42/57/816804257.db2.gz OOHFCPHXALUATN-UHFFFAOYSA-N 1 3 295.471 2.006 20 30 CEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000333345926 539323632 /nfs/dbraw/zinc/32/36/32/539323632.db2.gz USDYVKSCSAQTQA-BSWAZPDLSA-N 1 3 291.439 2.036 20 30 CEEDHO N#CC1(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000594740523 345683430 /nfs/dbraw/zinc/68/34/30/345683430.db2.gz YQKPAOZWULPXFM-RBSFLKMASA-N 1 3 261.413 2.438 20 30 CEEDHO CC(C)[NH+]1CCC(N(C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590720 346378765 /nfs/dbraw/zinc/37/87/65/346378765.db2.gz SRBOGABDWANJPV-OAHLLOKOSA-N 1 3 281.444 2.092 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000602594015 347092314 /nfs/dbraw/zinc/09/23/14/347092314.db2.gz OIASMVHRDWOVOI-GJZGRUSLSA-N 1 3 279.428 2.017 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[N@H+]1CC[C@H](C)C1 ZINC000602594015 347092316 /nfs/dbraw/zinc/09/23/16/347092316.db2.gz OIASMVHRDWOVOI-GJZGRUSLSA-N 1 3 279.428 2.017 20 30 CEEDHO C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000602657896 347127715 /nfs/dbraw/zinc/12/77/15/347127715.db2.gz TZPUHUYHRVYZCC-DOTOQJQBSA-N 1 3 292.471 2.027 20 30 CEEDHO C[C@@H](CCC#N)C[N@@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000602657896 347127717 /nfs/dbraw/zinc/12/77/17/347127717.db2.gz TZPUHUYHRVYZCC-DOTOQJQBSA-N 1 3 292.471 2.027 20 30 CEEDHO CC[NH+](CC)CCO[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602786942 347198395 /nfs/dbraw/zinc/19/83/95/347198395.db2.gz ZZKCHJJHKPWMIX-OAHLLOKOSA-N 1 3 279.428 2.113 20 30 CEEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000332378132 283058619 /nfs/dbraw/zinc/05/86/19/283058619.db2.gz FMQPJGBNFQHOCR-BSWAZPDLSA-N 1 3 291.439 2.036 20 30 CEEDHO C=CCc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1O ZINC000414925517 540247708 /nfs/dbraw/zinc/24/77/08/540247708.db2.gz LXNDOSXKDDJKRC-HUUCEWRRSA-N 1 3 290.407 2.489 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000580080975 366748108 /nfs/dbraw/zinc/74/81/08/366748108.db2.gz ZBPAQDPDBGGEFC-QZTJIDSGSA-N 1 3 299.418 2.277 20 30 CEEDHO CC(C#N)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000335149302 364544239 /nfs/dbraw/zinc/54/42/39/364544239.db2.gz MDEPLNPGDUPOGB-AWEZNQCLSA-N 1 3 297.402 2.195 20 30 CEEDHO CC(C#N)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000335149302 364544244 /nfs/dbraw/zinc/54/42/44/364544244.db2.gz MDEPLNPGDUPOGB-AWEZNQCLSA-N 1 3 297.402 2.195 20 30 CEEDHO CCCCNC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179738729 368350580 /nfs/dbraw/zinc/35/05/80/368350580.db2.gz LSRIPYSJSUOYHV-UHFFFAOYSA-N 1 3 289.427 2.002 20 30 CEEDHO C=CCOc1ccc(CN2CCC(C[NH3+])CC2)cc1OC ZINC000346685050 368768176 /nfs/dbraw/zinc/76/81/76/368768176.db2.gz IFIGHUIWENUXFY-UHFFFAOYSA-N 1 3 290.407 2.431 20 30 CEEDHO C=CCOc1ccc(CN2CCC(C[NH3+])CC2)cc1 ZINC000346683941 368769078 /nfs/dbraw/zinc/76/90/78/368769078.db2.gz GBYWMZUNZMCRER-UHFFFAOYSA-N 1 3 260.381 2.422 20 30 CEEDHO C=CCOCCC[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000348053835 368876957 /nfs/dbraw/zinc/87/69/57/368876957.db2.gz WSXLPFBVJGCZBL-OAHLLOKOSA-N 1 3 254.418 2.243 20 30 CEEDHO C=CCOCCC[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000348053835 368876964 /nfs/dbraw/zinc/87/69/64/368876964.db2.gz WSXLPFBVJGCZBL-OAHLLOKOSA-N 1 3 254.418 2.243 20 30 CEEDHO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000186691474 369021071 /nfs/dbraw/zinc/02/10/71/369021071.db2.gz NINRYZGESYTWEH-HOCLYGCPSA-N 1 3 292.423 2.215 20 30 CEEDHO CCN(CC)C(=[NH2+])NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000195291396 370122310 /nfs/dbraw/zinc/12/23/10/370122310.db2.gz YUMPZNROAGTSQO-MRXNPFEDSA-N 1 3 288.439 2.165 20 30 CEEDHO CCN1CC[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562115 371924659 /nfs/dbraw/zinc/92/46/59/371924659.db2.gz AKVIHGDDTODDGE-ZFWWWQNUSA-N 1 3 274.412 2.201 20 30 CEEDHO CCN1CC[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000361562115 371924661 /nfs/dbraw/zinc/92/46/61/371924661.db2.gz AKVIHGDDTODDGE-ZFWWWQNUSA-N 1 3 274.412 2.201 20 30 CEEDHO CCCNC(=[NH2+])NCc1ccccc1CN(CC)CC ZINC000264060888 371959144 /nfs/dbraw/zinc/95/91/44/371959144.db2.gz CUHDEIVLCWBCOP-UHFFFAOYSA-N 1 3 276.428 2.343 20 30 CEEDHO C[C@@H](CCC#N)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000351266898 533513168 /nfs/dbraw/zinc/51/31/68/533513168.db2.gz GRRDTNURBJSQMB-HNNXBMFYSA-N 1 3 279.428 2.255 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NC[C@H](C(C)C)N1CCCC1 ZINC000103338387 394713914 /nfs/dbraw/zinc/71/39/14/394713914.db2.gz XZCRLNZHXNQMRE-OAHLLOKOSA-N 1 3 292.427 2.065 20 30 CEEDHO CC(C)(C)NC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000104168666 394718426 /nfs/dbraw/zinc/71/84/26/394718426.db2.gz USBYBDNBMLPAFT-UHFFFAOYSA-N 1 3 288.439 2.138 20 30 CEEDHO CCNC(NC[C@@H]1CCN(C)[C@H]1c1cccs1)=[NH+]CC ZINC000361944857 394839094 /nfs/dbraw/zinc/83/90/94/394839094.db2.gz RCOSJWPAYYLKRC-GXTWGEPZSA-N 1 3 294.468 2.316 20 30 CEEDHO C[C@@H](NCCOCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339086198 394942084 /nfs/dbraw/zinc/94/20/84/394942084.db2.gz ZPOKLZJOTUIPIC-HUUCEWRRSA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@@H](NCCOCCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086198 394942087 /nfs/dbraw/zinc/94/20/87/394942087.db2.gz ZPOKLZJOTUIPIC-HUUCEWRRSA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@@H]([NH2+]CCOCCC#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000339086198 394942088 /nfs/dbraw/zinc/94/20/88/394942088.db2.gz ZPOKLZJOTUIPIC-HUUCEWRRSA-N 1 3 279.428 2.159 20 30 CEEDHO C#CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000372375548 395040723 /nfs/dbraw/zinc/04/07/23/395040723.db2.gz VYJOCWCRMZMIEX-IYBDPMFKSA-N 1 3 278.440 2.221 20 30 CEEDHO COc1cc(CNCC[C@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000459799696 395666764 /nfs/dbraw/zinc/66/67/64/395666764.db2.gz YWIHCZSBDBRDRS-CQSZACIVSA-N 1 3 287.407 2.388 20 30 CEEDHO COc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000459799696 395666765 /nfs/dbraw/zinc/66/67/65/395666765.db2.gz YWIHCZSBDBRDRS-CQSZACIVSA-N 1 3 287.407 2.388 20 30 CEEDHO CN1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000367598302 156213370 /nfs/dbraw/zinc/21/33/70/156213370.db2.gz DPENOAXGEZZTSN-BZSNNMDCSA-N 1 3 299.418 2.399 20 30 CEEDHO C[N@@H+]1CC[C@H](NCCOc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000367598302 156213372 /nfs/dbraw/zinc/21/33/72/156213372.db2.gz DPENOAXGEZZTSN-BZSNNMDCSA-N 1 3 299.418 2.399 20 30 CEEDHO C[N@H+]1CC[C@H](NCCOc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000367598302 156213375 /nfs/dbraw/zinc/21/33/75/156213375.db2.gz DPENOAXGEZZTSN-BZSNNMDCSA-N 1 3 299.418 2.399 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000565043536 298871874 /nfs/dbraw/zinc/87/18/74/298871874.db2.gz FZESGNVRJZJIMQ-QZTJIDSGSA-N 1 3 299.418 2.277 20 30 CEEDHO C=CCCn1cc(CNC(C)(C)CCC[NH+](C)C)nn1 ZINC000657482459 414964158 /nfs/dbraw/zinc/96/41/58/414964158.db2.gz XQESGLOJEIILNY-UHFFFAOYSA-N 1 3 279.432 2.064 20 30 CEEDHO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000665263254 415655213 /nfs/dbraw/zinc/65/52/13/415655213.db2.gz JGMRAKITSZAMIC-OWCLPIDISA-N 1 3 266.429 2.480 20 30 CEEDHO C=CCCCCC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662253988 415719920 /nfs/dbraw/zinc/71/99/20/415719920.db2.gz DFAKAAXHQQGXTG-CQSZACIVSA-N 1 3 252.402 2.186 20 30 CEEDHO C=CCCCCC[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662253988 415719926 /nfs/dbraw/zinc/71/99/26/415719926.db2.gz DFAKAAXHQQGXTG-CQSZACIVSA-N 1 3 252.402 2.186 20 30 CEEDHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000332399913 274377303 /nfs/dbraw/zinc/37/73/03/274377303.db2.gz VALDELMZLDMRDY-KDOFPFPSSA-N 1 3 298.434 2.115 20 30 CEEDHO CN1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1cccs1 ZINC000262672573 330025951 /nfs/dbraw/zinc/02/59/51/330025951.db2.gz PZELAYAVIWXHBH-SMDDNHRTSA-N 1 3 292.452 2.198 20 30 CEEDHO N#CCCNCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000521995425 333229480 /nfs/dbraw/zinc/22/94/80/333229480.db2.gz LRNBJMFROXBFKB-UHFFFAOYSA-N 1 3 286.423 2.092 20 30 CEEDHO C=CCc1cc(CN[C@H](C)C[C@@H](C)[NH3+])cc(OC)c1O ZINC000577751897 335397491 /nfs/dbraw/zinc/39/74/91/335397491.db2.gz WGRJPAWQRJHTEV-VXGBXAGGSA-N 1 3 278.396 2.345 20 30 CEEDHO C=CCCCCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000193422121 335970033 /nfs/dbraw/zinc/97/00/33/335970033.db2.gz GLNAQJGVUPDWFE-UHFFFAOYSA-N 1 3 295.471 2.123 20 30 CEEDHO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981269554 613861559 /nfs/dbraw/zinc/86/15/59/613861559.db2.gz BMAHOFAZXQCONB-CABCVRRESA-N 1 3 293.455 2.064 20 30 CEEDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000742368385 623402733 /nfs/dbraw/zinc/40/27/33/623402733.db2.gz FKBWAXYCWRFPEV-OAHLLOKOSA-N 1 3 287.407 2.388 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925654593 628361291 /nfs/dbraw/zinc/36/12/91/628361291.db2.gz GCXPYWYFQDQCBC-XFIYOXNOSA-N 1 3 278.440 2.334 20 30 CEEDHO C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)N1CCCC[C@H]1C ZINC000261972330 629407099 /nfs/dbraw/zinc/40/70/99/629407099.db2.gz DRULYSZGLHZVTI-RBSFLKMASA-N 1 3 280.460 2.296 20 30 CEEDHO C[N@@H+]1CCC[C@@H](CCNCC#Cc2ccccc2)C1 ZINC000894861449 629700657 /nfs/dbraw/zinc/70/06/57/629700657.db2.gz UWXAWQLDOACLMU-KRWDZBQOSA-N 1 3 256.393 2.360 20 30 CEEDHO C[N@H+]1CCC[C@@H](CCNCC#Cc2ccccc2)C1 ZINC000894861449 629700663 /nfs/dbraw/zinc/70/06/63/629700663.db2.gz UWXAWQLDOACLMU-KRWDZBQOSA-N 1 3 256.393 2.360 20 30 CEEDHO C#CCCCCCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000876737827 650414642 /nfs/dbraw/zinc/41/46/42/650414642.db2.gz WADHMJTWECQNRF-UHFFFAOYSA-N 1 3 280.456 2.349 20 30 CEEDHO C=CCCC[C@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911848773 638443739 /nfs/dbraw/zinc/44/37/39/638443739.db2.gz WXTNHNKLCBJOEY-RISCZKNCSA-N 1 3 261.369 2.328 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC)CCC[NH+](CC)CC ZINC000876885980 650473931 /nfs/dbraw/zinc/47/39/31/650473931.db2.gz SGHZFVYLQKPXGT-CYBMUJFWSA-N 1 3 289.851 2.037 20 30 CEEDHO C#CCOc1ccccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000044534380 639321849 /nfs/dbraw/zinc/32/18/49/639321849.db2.gz IGBZPZCSSGFOOX-OAHLLOKOSA-N 1 3 272.392 2.130 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[N@@H+]1CCC[C@H]1C ZINC000877154694 650600078 /nfs/dbraw/zinc/60/00/78/650600078.db2.gz XDWAUEKULUVVJR-HUUCEWRRSA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[N@H+]1CCC[C@H]1C ZINC000877154694 650600081 /nfs/dbraw/zinc/60/00/81/650600081.db2.gz XDWAUEKULUVVJR-HUUCEWRRSA-N 1 3 279.428 2.159 20 30 CEEDHO c1nncn1N=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781115237 647501108 /nfs/dbraw/zinc/50/11/08/647501108.db2.gz KERHYSAQCUFJPD-JKSUJKDBSA-N 1 3 295.390 2.414 20 30 CEEDHO c1nncn1N=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000781115237 647501110 /nfs/dbraw/zinc/50/11/10/647501110.db2.gz KERHYSAQCUFJPD-JKSUJKDBSA-N 1 3 295.390 2.414 20 30 CEEDHO C[C@H](CCCC#N)[N@@H+]1Cc2ccccc2C[C@H]1CN ZINC001172487327 815430408 /nfs/dbraw/zinc/43/04/08/815430408.db2.gz ARTMXLJDWFVFPI-CJNGLKHVSA-N 1 3 257.381 2.454 20 30 CEEDHO C[C@H](CCCC#N)[N@H+]1Cc2ccccc2C[C@H]1CN ZINC001172487327 815430414 /nfs/dbraw/zinc/43/04/14/815430414.db2.gz ARTMXLJDWFVFPI-CJNGLKHVSA-N 1 3 257.381 2.454 20 30 CEEDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC001169081637 811376743 /nfs/dbraw/zinc/37/67/43/811376743.db2.gz UYMONNIDVRUMBI-PHZGNYQRSA-N 1 3 255.365 2.273 20 30 CEEDHO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475970 813446282 /nfs/dbraw/zinc/44/62/82/813446282.db2.gz HMKUDDITVGMCBT-CABCVRRESA-N 1 3 297.487 2.413 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248448 814222742 /nfs/dbraw/zinc/22/27/42/814222742.db2.gz VFWLPGMLSSZGKC-ZBFHGGJFSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175263428 816164143 /nfs/dbraw/zinc/16/41/43/816164143.db2.gz POSUYMOZMPMHSG-JKSUJKDBSA-N 1 3 295.471 2.169 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176284783 816377691 /nfs/dbraw/zinc/37/76/91/816377691.db2.gz KFXQMBCINZVKAB-OAHLLOKOSA-N 1 3 283.460 2.169 20 30 CEEDHO C[C@H](CCC#N)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000602486723 347056343 /nfs/dbraw/zinc/05/63/43/347056343.db2.gz OYSSRKVKQLFDIL-KLHDSHLOSA-N 1 3 279.428 2.110 20 30 CEEDHO C[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)C[NH+]1CCCC1 ZINC000602518351 347064374 /nfs/dbraw/zinc/06/43/74/347064374.db2.gz QFLFNGZNWIXTLE-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)CN1CCCC1 ZINC000602518351 347064379 /nfs/dbraw/zinc/06/43/79/347064379.db2.gz QFLFNGZNWIXTLE-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO N#Cc1ccc(CNC2CCC(C[NH3+])CC2)c(F)c1 ZINC000591570794 345264522 /nfs/dbraw/zinc/26/45/22/345264522.db2.gz OHPSLIPOZNQJAO-UHFFFAOYSA-N 1 3 261.344 2.304 20 30 CEEDHO CC[NH2+]Cc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594427652 345627138 /nfs/dbraw/zinc/62/71/38/345627138.db2.gz VOJIGZIWOZLSPF-OAHLLOKOSA-N 1 3 288.395 2.146 20 30 CEEDHO N#CC1(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000594740528 345683769 /nfs/dbraw/zinc/68/37/69/345683769.db2.gz YQKPAOZWULPXFM-SOUVJXGZSA-N 1 3 261.413 2.438 20 30 CEEDHO CN1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000595507994 345798936 /nfs/dbraw/zinc/79/89/36/345798936.db2.gz STEVOSGQWVFJJW-GOSISDBHSA-N 1 3 299.418 2.355 20 30 CEEDHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000595507994 345798938 /nfs/dbraw/zinc/79/89/38/345798938.db2.gz STEVOSGQWVFJJW-GOSISDBHSA-N 1 3 299.418 2.355 20 30 CEEDHO C[NH2+]CCOCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000600709884 346675261 /nfs/dbraw/zinc/67/52/61/346675261.db2.gz KMGRMXUBKFIYQE-QGZVFWFLSA-N 1 3 287.407 2.151 20 30 CEEDHO C[C@H](CCC#N)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847877 347223118 /nfs/dbraw/zinc/22/31/18/347223118.db2.gz LHSSJXRDIYCTCC-CQSZACIVSA-N 1 3 258.369 2.286 20 30 CEEDHO CCc1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)s1 ZINC000264069107 371961265 /nfs/dbraw/zinc/96/12/65/371961265.db2.gz CPOGNDMSVMUASZ-LBPRGKRZSA-N 1 3 294.468 2.199 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CC1 ZINC000367613431 373167749 /nfs/dbraw/zinc/16/77/49/373167749.db2.gz FNHXZXSCENXGGJ-KURKYZTESA-N 1 3 291.483 2.489 20 30 CEEDHO C=CCN1CCC([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CC1 ZINC000367619900 394966966 /nfs/dbraw/zinc/96/69/66/394966966.db2.gz PSJFEKVBTDHPKL-ZACQAIPSSA-N 1 3 277.456 2.099 20 30 CEEDHO C=CCCn1cc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])nn1 ZINC000662314877 415773475 /nfs/dbraw/zinc/77/34/75/415773475.db2.gz PZUOCUSBENPHNQ-GDBMZVCRSA-N 1 3 291.443 2.194 20 30 CEEDHO CC(C#N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309783110 262020555 /nfs/dbraw/zinc/02/05/55/262020555.db2.gz LPNOMQFDYBPALO-YCPHGPKFSA-N 1 3 285.391 2.173 20 30 CEEDHO CC(C#N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309783110 262020557 /nfs/dbraw/zinc/02/05/57/262020557.db2.gz LPNOMQFDYBPALO-YCPHGPKFSA-N 1 3 285.391 2.173 20 30 CEEDHO N#Cc1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000268954872 262961466 /nfs/dbraw/zinc/96/14/66/262961466.db2.gz FZPIXEQDQSGVDD-QZTJIDSGSA-N 1 3 299.418 2.026 20 30 CEEDHO C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N(C)C1CC1 ZINC000288731341 263105813 /nfs/dbraw/zinc/10/58/13/263105813.db2.gz NRZPMBGATIYCPA-VIFPVBQESA-N 1 3 282.338 2.174 20 30 CEEDHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC1(CC#N)CC1 ZINC000366761858 263390404 /nfs/dbraw/zinc/39/04/04/263390404.db2.gz VXQBCXUBQLJULI-OWCLPIDISA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCC1(CC#N)CC1 ZINC000366761858 263390406 /nfs/dbraw/zinc/39/04/06/263390406.db2.gz VXQBCXUBQLJULI-OWCLPIDISA-N 1 3 291.439 2.159 20 30 CEEDHO CN(C)C(=[NH+]C[C@H]1CCN(C)[C@@H]1c1cccs1)N(C)C ZINC000370163358 267296125 /nfs/dbraw/zinc/29/61/25/267296125.db2.gz SJLALFCEHXSQEL-OCCSQVGLSA-N 1 3 294.468 2.220 20 30 CEEDHO CC(C)N1CCN(C2CC[NH+](CCCCC#N)CC2)CC1 ZINC000371345626 267394365 /nfs/dbraw/zinc/39/43/65/267394365.db2.gz RRFLFVFUOLCRIK-UHFFFAOYSA-N 1 3 292.471 2.171 20 30 CEEDHO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1N)CC2 ZINC000424378179 281153787 /nfs/dbraw/zinc/15/37/87/281153787.db2.gz SPHQGAHAHLRDJL-BZUAXINKSA-N 1 3 255.365 2.405 20 30 CEEDHO C=CCCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423046959 330167195 /nfs/dbraw/zinc/16/71/95/330167195.db2.gz FLPNYARBZKGTFX-RBSFLKMASA-N 1 3 252.402 2.089 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237858903 333381857 /nfs/dbraw/zinc/38/18/57/333381857.db2.gz HIUJCKZOFWZRJW-JKSUJKDBSA-N 1 3 293.455 2.051 20 30 CEEDHO CC[NH+]1CCC(CCNC[C@H](C#N)CCC#N)CC1 ZINC000577741263 335395216 /nfs/dbraw/zinc/39/52/16/335395216.db2.gz CKFHWMIDYZKRBK-HNNXBMFYSA-N 1 3 262.401 2.142 20 30 CEEDHO C=CCc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])cc(OC)c1O ZINC000577751893 335397568 /nfs/dbraw/zinc/39/75/68/335397568.db2.gz WGRJPAWQRJHTEV-NEPJUHHUSA-N 1 3 278.396 2.345 20 30 CEEDHO C=C(C)CNC(=[NH2+])NC[C@@H](CC(C)C)N(CC)CC ZINC000104160918 628630155 /nfs/dbraw/zinc/63/01/55/628630155.db2.gz FDJSCLMGBVFLKZ-CQSZACIVSA-N 1 3 268.449 2.223 20 30 CEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001014632913 632639309 /nfs/dbraw/zinc/63/93/09/632639309.db2.gz RYUQQKJDFGJISE-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001014632913 632639310 /nfs/dbraw/zinc/63/93/10/632639310.db2.gz RYUQQKJDFGJISE-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1C#N ZINC000817914896 633774702 /nfs/dbraw/zinc/77/47/02/633774702.db2.gz BPZIOXRMFNXQQA-GJZGRUSLSA-N 1 3 273.380 2.316 20 30 CEEDHO C#CCCCCCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC000876546315 650317260 /nfs/dbraw/zinc/31/72/60/650317260.db2.gz HUIRQIIBAPWGJT-UHFFFAOYSA-N 1 3 291.483 2.284 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C2 ZINC000873276654 649621985 /nfs/dbraw/zinc/62/19/85/649621985.db2.gz VOICGIQXOKIRDL-USXIJHARSA-N 1 3 269.392 2.133 20 30 CEEDHO C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(C)C ZINC001271261634 805904617 /nfs/dbraw/zinc/90/46/17/805904617.db2.gz OTDXDKYKEAASQB-JKSUJKDBSA-N 1 3 295.471 2.166 20 30 CEEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879738 804315312 /nfs/dbraw/zinc/31/53/12/804315312.db2.gz XCUFHXOPCWGEFK-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879738 804315321 /nfs/dbraw/zinc/31/53/21/804315321.db2.gz XCUFHXOPCWGEFK-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001269980592 805300969 /nfs/dbraw/zinc/30/09/69/805300969.db2.gz HECFQRJVZYDBLC-JKSUJKDBSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCC1 ZINC001270404005 805428205 /nfs/dbraw/zinc/42/82/05/805428205.db2.gz QTDLFSBEAKXWQZ-CVEARBPZSA-N 1 3 295.471 2.023 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001121909582 815366211 /nfs/dbraw/zinc/36/62/11/815366211.db2.gz VUMGCJCLGWYGLQ-HOTGVXAUSA-N 1 3 295.471 2.441 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001121909582 815366215 /nfs/dbraw/zinc/36/62/15/815366215.db2.gz VUMGCJCLGWYGLQ-HOTGVXAUSA-N 1 3 295.471 2.441 20 30 CEEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170742957 813243593 /nfs/dbraw/zinc/24/35/93/813243593.db2.gz OZNOWZFXAYCGKD-HOTGVXAUSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175272102 816166368 /nfs/dbraw/zinc/16/63/68/816166368.db2.gz HJBVWENGJPJKNP-OAHLLOKOSA-N 1 3 297.487 2.415 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CN(CC)CC)CC1 ZINC001203010908 816207000 /nfs/dbraw/zinc/20/70/00/816207000.db2.gz ZSBIZHCDYKZGNM-OAHLLOKOSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175786382 816283787 /nfs/dbraw/zinc/28/37/87/816283787.db2.gz KBNLVJQTKKTOHW-HNNXBMFYSA-N 1 3 283.460 2.169 20 30 CEEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176759541 816473590 /nfs/dbraw/zinc/47/35/90/816473590.db2.gz JHVNIVFJIPILQQ-JKSUJKDBSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CC[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179590591 816881588 /nfs/dbraw/zinc/88/15/88/816881588.db2.gz JKOLLPQQCZAFJE-UHFFFAOYSA-N 1 3 295.471 2.171 20 30 CEEDHO CCNC(NCCCN1CCc2ccccc2C1)=[NH+]CC ZINC000066243288 343709619 /nfs/dbraw/zinc/70/96/19/343709619.db2.gz ZORKRIIBURBNRK-UHFFFAOYSA-N 1 3 288.439 2.010 20 30 CEEDHO N#C[C@@H]1CCC[C@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000593320243 345465988 /nfs/dbraw/zinc/46/59/88/345465988.db2.gz BNRQVSPXVMDVOG-RISCZKNCSA-N 1 3 261.344 2.456 20 30 CEEDHO N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000593730197 345528660 /nfs/dbraw/zinc/52/86/60/345528660.db2.gz LPHUPMKAYWMLJI-KZNAEPCWSA-N 1 3 299.418 2.419 20 30 CEEDHO C[NH+](C)CCOCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594500293 345638851 /nfs/dbraw/zinc/63/88/51/345638851.db2.gz MLHHQMLQPLNXQA-UHFFFAOYSA-N 1 3 289.423 2.156 20 30 CEEDHO C[C@@H]1C[C@@H](CN2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581063 345650753 /nfs/dbraw/zinc/65/07/53/345650753.db2.gz JDJPCGDHZYTUPX-OCCSQVGLSA-N 1 3 255.365 2.262 20 30 CEEDHO CCN(C)C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595340581 345765098 /nfs/dbraw/zinc/76/50/98/345765098.db2.gz CMFUBFXRYWDCBD-KRWDZBQOSA-N 1 3 271.408 2.374 20 30 CEEDHO CCN(C)C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595340581 345765099 /nfs/dbraw/zinc/76/50/99/345765099.db2.gz CMFUBFXRYWDCBD-KRWDZBQOSA-N 1 3 271.408 2.374 20 30 CEEDHO CC(C)(C#N)CCCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595864286 345901361 /nfs/dbraw/zinc/90/13/61/345901361.db2.gz RWTPHDRSRAYZJO-MRXNPFEDSA-N 1 3 293.455 2.237 20 30 CEEDHO N#Cc1ccccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000598680516 346400443 /nfs/dbraw/zinc/40/04/43/346400443.db2.gz ZHZDXJMTJFQJRD-RDJZCZTQSA-N 1 3 269.392 2.380 20 30 CEEDHO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000602657897 347127675 /nfs/dbraw/zinc/12/76/75/347127675.db2.gz TZPUHUYHRVYZCC-NVXWUHKLSA-N 1 3 292.471 2.027 20 30 CEEDHO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000602657897 347127676 /nfs/dbraw/zinc/12/76/76/347127676.db2.gz TZPUHUYHRVYZCC-NVXWUHKLSA-N 1 3 292.471 2.027 20 30 CEEDHO C=CC[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000625704454 350551828 /nfs/dbraw/zinc/55/18/28/350551828.db2.gz XXLYOFXFVBGVND-QGZVFWFLSA-N 1 3 279.472 2.301 20 30 CEEDHO C=CC[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000625704454 350551830 /nfs/dbraw/zinc/55/18/30/350551830.db2.gz XXLYOFXFVBGVND-QGZVFWFLSA-N 1 3 279.472 2.301 20 30 CEEDHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000579953583 366729253 /nfs/dbraw/zinc/72/92/53/366729253.db2.gz USGYKRPCNRJIBJ-XJKSGUPXSA-N 1 3 257.381 2.230 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000580080976 366747556 /nfs/dbraw/zinc/74/75/56/366747556.db2.gz ZBPAQDPDBGGEFC-ROUUACIJSA-N 1 3 299.418 2.277 20 30 CEEDHO C=CCCC[C@@H](C)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678717359 541165950 /nfs/dbraw/zinc/16/59/50/541165950.db2.gz PFVQZCHXWXEYPS-SJORKVTESA-N 1 3 279.472 2.443 20 30 CEEDHO C=CCCC[C@@H](C)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678717359 541165952 /nfs/dbraw/zinc/16/59/52/541165952.db2.gz PFVQZCHXWXEYPS-SJORKVTESA-N 1 3 279.472 2.443 20 30 CEEDHO CN(Cc1cc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000093089274 364139755 /nfs/dbraw/zinc/13/97/55/364139755.db2.gz CEFLDAIDIJNDFB-UHFFFAOYSA-N 1 3 263.410 2.393 20 30 CEEDHO CC(C#N)C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000359553504 371469119 /nfs/dbraw/zinc/46/91/19/371469119.db2.gz SFPPVTLRQIVUPN-ZDUSSCGKSA-N 1 3 265.401 2.307 20 30 CEEDHO CCC#C[C@@H](C)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701793 371507330 /nfs/dbraw/zinc/50/73/30/371507330.db2.gz AYXHWDUBFIVOHM-OAHLLOKOSA-N 1 3 257.381 2.396 20 30 CEEDHO CN(C)Cc1cccc(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000264109259 371972136 /nfs/dbraw/zinc/97/21/36/371972136.db2.gz QFQXJXZPXFBJND-UHFFFAOYSA-N 1 3 288.439 2.485 20 30 CEEDHO C=CCCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000367614754 373167461 /nfs/dbraw/zinc/16/74/61/373167461.db2.gz IFHVFCXADBWIRJ-RRFJBIMHSA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCCOCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367614754 373167464 /nfs/dbraw/zinc/16/74/64/373167464.db2.gz IFHVFCXADBWIRJ-RRFJBIMHSA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCCOCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367614754 373167472 /nfs/dbraw/zinc/16/74/72/373167472.db2.gz IFHVFCXADBWIRJ-RRFJBIMHSA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCOCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479660 373146704 /nfs/dbraw/zinc/14/67/04/373146704.db2.gz YSLASPCOMPXAEJ-DOTOQJQBSA-N 1 3 288.391 2.035 20 30 CEEDHO N#Cc1ccc(OCCN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422987246 376907564 /nfs/dbraw/zinc/90/75/64/376907564.db2.gz FTTAMDFWLHYKOF-GDBMZVCRSA-N 1 3 273.380 2.044 20 30 CEEDHO N#Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422987246 376907575 /nfs/dbraw/zinc/90/75/75/376907575.db2.gz FTTAMDFWLHYKOF-GDBMZVCRSA-N 1 3 273.380 2.044 20 30 CEEDHO N#C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332378142 377582097 /nfs/dbraw/zinc/58/20/97/377582097.db2.gz FMQPJGBNFQHOCR-XBVQOTNRSA-N 1 3 291.439 2.036 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000567570909 377842308 /nfs/dbraw/zinc/84/23/08/377842308.db2.gz WPIBTFZMGBMLSD-CVEARBPZSA-N 1 3 264.413 2.184 20 30 CEEDHO C=CCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346859476 395111161 /nfs/dbraw/zinc/11/11/61/395111161.db2.gz SDVYOSFTACMICH-XIRDDKMYSA-N 1 3 272.392 2.421 20 30 CEEDHO C[C@H](CCC#N)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000411522246 395330665 /nfs/dbraw/zinc/33/06/65/395330665.db2.gz DIVGNWITTISVOC-MRXNPFEDSA-N 1 3 292.471 2.028 20 30 CEEDHO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000651709490 401375827 /nfs/dbraw/zinc/37/58/27/401375827.db2.gz YMGUAAAIHBRDMP-ZACQAIPSSA-N 1 3 291.483 2.489 20 30 CEEDHO CCCCN1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000189587193 153100441 /nfs/dbraw/zinc/10/04/41/153100441.db2.gz GBDUYRJWCUUACR-UHFFFAOYSA-N 1 3 274.412 2.251 20 30 CEEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000657886196 415114351 /nfs/dbraw/zinc/11/43/51/415114351.db2.gz ILEMKQUPNNQBBT-HUUCEWRRSA-N 1 3 266.429 2.168 20 30 CEEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000657987707 415146222 /nfs/dbraw/zinc/14/62/22/415146222.db2.gz SYSCHQCHTMNQET-CABCVRRESA-N 1 3 254.418 2.289 20 30 CEEDHO C=CCOc1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414947200 263156410 /nfs/dbraw/zinc/15/64/10/263156410.db2.gz VNVYUZQTTXZWHO-UHFFFAOYSA-N 1 3 260.381 2.483 20 30 CEEDHO CN(CCCSCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367589116 267102600 /nfs/dbraw/zinc/10/26/00/267102600.db2.gz YLUHHMCBUNFVMX-PBWFPOADSA-N 1 3 267.442 2.190 20 30 CEEDHO CN(CCCSCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367589116 267102603 /nfs/dbraw/zinc/10/26/03/267102603.db2.gz YLUHHMCBUNFVMX-PBWFPOADSA-N 1 3 267.442 2.190 20 30 CEEDHO CC#CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177494413 329184839 /nfs/dbraw/zinc/18/48/39/329184839.db2.gz GTCGDGZORVURSX-IYBDPMFKSA-N 1 3 278.440 2.221 20 30 CEEDHO CN1CC[NH+]=C1NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000262673518 330025929 /nfs/dbraw/zinc/02/59/29/330025929.db2.gz SCOZYDHSHDBXFV-JSGCOSHPSA-N 1 3 292.452 2.022 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422832244 330156913 /nfs/dbraw/zinc/15/69/13/330156913.db2.gz KYISELWRPIHLNB-YESZJQIVSA-N 1 3 279.472 2.273 20 30 CEEDHO C=CCN1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422860710 330157853 /nfs/dbraw/zinc/15/78/53/330157853.db2.gz MTGIENDYWYLTTG-CRAIPNDOSA-N 1 3 287.451 2.185 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000422976143 330162221 /nfs/dbraw/zinc/16/22/21/330162221.db2.gz HTNKMHVOMHPHHP-CVEARBPZSA-N 1 3 265.445 2.277 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423095645 330169686 /nfs/dbraw/zinc/16/96/86/330169686.db2.gz MUMPYMAWAQGYPD-AJNGGQMLSA-N 1 3 252.402 2.088 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)[C@@H]1CCCN1 ZINC000423095645 330169689 /nfs/dbraw/zinc/16/96/89/330169689.db2.gz MUMPYMAWAQGYPD-AJNGGQMLSA-N 1 3 252.402 2.088 20 30 CEEDHO C=C(C)COCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000163551988 331056085 /nfs/dbraw/zinc/05/60/85/331056085.db2.gz CHPYLYHKRUYKNW-OWCLPIDISA-N 1 3 266.429 2.480 20 30 CEEDHO N#CCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000459519381 331285706 /nfs/dbraw/zinc/28/57/06/331285706.db2.gz UTPMBLPKEQACEE-UHFFFAOYSA-N 1 3 270.380 2.334 20 30 CEEDHO C[C@H]1CCCC[C@H]1[NH+]1CCC(=Nn2cnnc2)CC1 ZINC000733902100 574690022 /nfs/dbraw/zinc/69/00/22/574690022.db2.gz LLTQAOHLADFART-GXTWGEPZSA-N 1 3 261.373 2.157 20 30 CEEDHO CSc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1C#N ZINC000925771543 628773643 /nfs/dbraw/zinc/77/36/43/628773643.db2.gz BULGFVYUOAOBGF-JSGCOSHPSA-N 1 3 275.421 2.497 20 30 CEEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000985483240 631103267 /nfs/dbraw/zinc/10/32/67/631103267.db2.gz XAEBQSBUIGENHT-INIZCTEOSA-N 1 3 295.471 2.072 20 30 CEEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000985483240 631103268 /nfs/dbraw/zinc/10/32/68/631103268.db2.gz XAEBQSBUIGENHT-INIZCTEOSA-N 1 3 295.471 2.072 20 30 CEEDHO C=CCCC(C)(C)[NH2+]C[C@@H](CN)Cc1cnn(C)c1C ZINC000903933826 635359022 /nfs/dbraw/zinc/35/90/22/635359022.db2.gz WHOCHRLMUQBWFP-CQSZACIVSA-N 1 3 278.444 2.180 20 30 CEEDHO CC[NH+](CC)CCOCCNCc1csc(C#N)c1 ZINC000921991715 642829846 /nfs/dbraw/zinc/82/98/46/642829846.db2.gz WNGUCWGASFWNCH-UHFFFAOYSA-N 1 3 281.425 2.068 20 30 CEEDHO c1nncn1N=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781115235 647500831 /nfs/dbraw/zinc/50/08/31/647500831.db2.gz KERHYSAQCUFJPD-HOTGVXAUSA-N 1 3 295.390 2.414 20 30 CEEDHO c1nncn1N=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000781115235 647500832 /nfs/dbraw/zinc/50/08/32/647500832.db2.gz KERHYSAQCUFJPD-HOTGVXAUSA-N 1 3 295.390 2.414 20 30 CEEDHO CN1CC[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579911 651326523 /nfs/dbraw/zinc/32/65/23/651326523.db2.gz QDCFMOCGXKXRDG-SJORKVTESA-N 1 3 269.392 2.127 20 30 CEEDHO CN1CC[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579911 651326525 /nfs/dbraw/zinc/32/65/25/651326525.db2.gz QDCFMOCGXKXRDG-SJORKVTESA-N 1 3 269.392 2.127 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171508753 815190115 /nfs/dbraw/zinc/19/01/15/815190115.db2.gz HWWHLDIADQYCIJ-HUUCEWRRSA-N 1 3 283.460 2.167 20 30 CEEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171586789 815192445 /nfs/dbraw/zinc/19/24/45/815192445.db2.gz TTXKFXUVXMCCRP-HNNXBMFYSA-N 1 3 295.471 2.005 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744224 810479580 /nfs/dbraw/zinc/47/95/80/810479580.db2.gz MJLGSKIKESLVLM-OAHLLOKOSA-N 1 3 297.487 2.415 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC001121974227 815373725 /nfs/dbraw/zinc/37/37/25/815373725.db2.gz GQRVRZYDGMMXKL-HNNXBMFYSA-N 1 3 281.444 2.052 20 30 CEEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC001121991362 815374245 /nfs/dbraw/zinc/37/42/45/815374245.db2.gz OWHKWPBJSJXSTM-HNNXBMFYSA-N 1 3 275.396 2.370 20 30 CEEDHO C#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169099587 811369173 /nfs/dbraw/zinc/36/91/73/811369173.db2.gz CCTNPVWVJISLQX-OSYLJGHBSA-N 1 3 254.377 2.383 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979038 813578099 /nfs/dbraw/zinc/57/80/99/813578099.db2.gz BFTPWIBGTRERDW-LSDHHAIUSA-N 1 3 283.460 2.167 20 30 CEEDHO CC(C)[C@H](C#N)c1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170901288 813623056 /nfs/dbraw/zinc/62/30/56/813623056.db2.gz YMAFTLOAOLXVBY-GJZGRUSLSA-N 1 3 260.385 2.385 20 30 CEEDHO C=CC[N@@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140304696 816227211 /nfs/dbraw/zinc/22/72/11/816227211.db2.gz YQFHRCHHFVNPMO-UHFFFAOYSA-N 1 3 273.424 2.446 20 30 CEEDHO C=CC[N@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140304696 816227216 /nfs/dbraw/zinc/22/72/16/816227216.db2.gz YQFHRCHHFVNPMO-UHFFFAOYSA-N 1 3 273.424 2.446 20 30 CEEDHO C=CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178760163 816793379 /nfs/dbraw/zinc/79/33/79/816793379.db2.gz XKIODZPHEMBRAE-HNNXBMFYSA-N 1 3 283.460 2.025 20 30 CEEDHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000333281206 539322855 /nfs/dbraw/zinc/32/28/55/539322855.db2.gz MLRNCKFXOTVOAL-KSSFIOAISA-N 1 3 298.434 2.257 20 30 CEEDHO COc1cc(CN2CCC(CC[NH3+])CC2)ccc1C#N ZINC000234962690 344588225 /nfs/dbraw/zinc/58/82/25/344588225.db2.gz MNIQUQBXMLDNPK-UHFFFAOYSA-N 1 3 273.380 2.128 20 30 CEEDHO CC[NH+]1CCC(CCNCc2cccc(C#N)n2)CC1 ZINC000602557447 347076248 /nfs/dbraw/zinc/07/62/48/347076248.db2.gz KBKDPPIGPVYIBY-UHFFFAOYSA-N 1 3 272.396 2.165 20 30 CEEDHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594424392 345625038 /nfs/dbraw/zinc/62/50/38/345625038.db2.gz CNILPLSQDVSSQP-RISCZKNCSA-N 1 3 274.368 2.056 20 30 CEEDHO CC[NH2+]Cc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594427648 345627173 /nfs/dbraw/zinc/62/71/73/345627173.db2.gz VOJIGZIWOZLSPF-HNNXBMFYSA-N 1 3 288.395 2.146 20 30 CEEDHO N#Cc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594956618 345715703 /nfs/dbraw/zinc/71/57/03/345715703.db2.gz XGCZGDXJTUSLIL-IRXDYDNUSA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594956618 345715704 /nfs/dbraw/zinc/71/57/04/345715704.db2.gz XGCZGDXJTUSLIL-IRXDYDNUSA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1ccccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000598679006 346399227 /nfs/dbraw/zinc/39/92/27/346399227.db2.gz COYPGQWAWZJOQC-UHFFFAOYSA-N 1 3 255.365 2.134 20 30 CEEDHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000598994834 346443581 /nfs/dbraw/zinc/44/35/81/346443581.db2.gz UAFYNPOBAKRRIM-INIZCTEOSA-N 1 3 257.381 2.380 20 30 CEEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(N)CCOCC1 ZINC000600707559 346674354 /nfs/dbraw/zinc/67/43/54/346674354.db2.gz IHJUCYVDWNGZNX-KRWDZBQOSA-N 1 3 299.418 2.423 20 30 CEEDHO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC1 ZINC000617506954 348718982 /nfs/dbraw/zinc/71/89/82/348718982.db2.gz DHWOMMYUXWPNMH-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC1 ZINC000617506954 348718983 /nfs/dbraw/zinc/71/89/83/348718983.db2.gz DHWOMMYUXWPNMH-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000310675843 540349121 /nfs/dbraw/zinc/34/91/21/540349121.db2.gz PJIYGEAOVJXCHN-QLFBSQMISA-N 1 3 252.402 2.089 20 30 CEEDHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1C#N ZINC000087823734 363870562 /nfs/dbraw/zinc/87/05/62/363870562.db2.gz NBWHTKTYMCJVKP-CQSZACIVSA-N 1 3 285.391 2.141 20 30 CEEDHO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCCNC1 ZINC000582958734 366981793 /nfs/dbraw/zinc/98/17/93/366981793.db2.gz ZMMCECMBYSLQSW-BBRMVZONSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@H](NCCc1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000582958734 366981794 /nfs/dbraw/zinc/98/17/94/366981794.db2.gz ZMMCECMBYSLQSW-BBRMVZONSA-N 1 3 257.381 2.078 20 30 CEEDHO CC(C#N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000349571833 369347437 /nfs/dbraw/zinc/34/74/37/369347437.db2.gz XOXWKGPXPLHEOX-KBPBESRZSA-N 1 3 273.380 2.173 20 30 CEEDHO CC(C#N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349571833 369347440 /nfs/dbraw/zinc/34/74/40/369347440.db2.gz XOXWKGPXPLHEOX-KBPBESRZSA-N 1 3 273.380 2.173 20 30 CEEDHO C[NH+](C)CCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000349822474 369412128 /nfs/dbraw/zinc/41/21/28/369412128.db2.gz POSVSNZOZXPWFA-HOTGVXAUSA-N 1 3 287.407 2.409 20 30 CEEDHO C[C@H]1CCC[N@H+](CCCCNCc2cc(C#N)n(C)c2)C1 ZINC000190772399 369651112 /nfs/dbraw/zinc/65/11/12/369651112.db2.gz SDCZTPYRGNUVMO-HNNXBMFYSA-N 1 3 288.439 2.498 20 30 CEEDHO C[C@H]1CCC[N@@H+](CCCCNCc2cc(C#N)n(C)c2)C1 ZINC000190772399 369651117 /nfs/dbraw/zinc/65/11/17/369651117.db2.gz SDCZTPYRGNUVMO-HNNXBMFYSA-N 1 3 288.439 2.498 20 30 CEEDHO COc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1C#N ZINC000234832924 370543858 /nfs/dbraw/zinc/54/38/58/370543858.db2.gz IPRGDIRMMRSKPU-UHFFFAOYSA-N 1 3 275.396 2.244 20 30 CEEDHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399020105 375354455 /nfs/dbraw/zinc/35/44/55/375354455.db2.gz DSDPURPWPGVSAR-XJKSGUPXSA-N 1 3 257.381 2.182 20 30 CEEDHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399020105 375354458 /nfs/dbraw/zinc/35/44/58/375354458.db2.gz DSDPURPWPGVSAR-XJKSGUPXSA-N 1 3 257.381 2.182 20 30 CEEDHO N#Cc1cccc(CCN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423099306 376993464 /nfs/dbraw/zinc/99/34/64/376993464.db2.gz LXZNQAIHIHKSBS-CVEARBPZSA-N 1 3 257.381 2.350 20 30 CEEDHO C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000294954318 378031764 /nfs/dbraw/zinc/03/17/64/378031764.db2.gz HUXNCIVZZABDHD-ALOPSCKCSA-N 1 3 284.403 2.413 20 30 CEEDHO CNC(NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1)=[NH+]C ZINC000363585594 394880913 /nfs/dbraw/zinc/88/09/13/394880913.db2.gz JQDHGNIEFZQZSV-JSGCOSHPSA-N 1 3 294.830 2.128 20 30 CEEDHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(C#N)cc1F ZINC000423523684 394944600 /nfs/dbraw/zinc/94/46/00/394944600.db2.gz YZPAJKLDYMWNJF-LOWVWBTDSA-N 1 3 261.344 2.475 20 30 CEEDHO C=CCCCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000373277870 395057597 /nfs/dbraw/zinc/05/75/97/395057597.db2.gz JFPDDPBRGIRCPI-KRWDZBQOSA-N 1 3 279.472 2.445 20 30 CEEDHO C=CCCCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000373277870 395057602 /nfs/dbraw/zinc/05/76/02/395057602.db2.gz JFPDDPBRGIRCPI-KRWDZBQOSA-N 1 3 279.472 2.445 20 30 CEEDHO C#CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290377276 395100614 /nfs/dbraw/zinc/10/06/14/395100614.db2.gz HWERWMHLWYMXPW-YJBOKZPZSA-N 1 3 286.419 2.471 20 30 CEEDHO C#CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290377276 395100617 /nfs/dbraw/zinc/10/06/17/395100617.db2.gz HWERWMHLWYMXPW-YJBOKZPZSA-N 1 3 286.419 2.471 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309646934 414855658 /nfs/dbraw/zinc/85/56/58/414855658.db2.gz CWYQNHOGTHMCRR-GOEBONIOSA-N 1 3 285.391 2.174 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309646934 414855665 /nfs/dbraw/zinc/85/56/65/414855665.db2.gz CWYQNHOGTHMCRR-GOEBONIOSA-N 1 3 285.391 2.174 20 30 CEEDHO C=CCOCCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000665263831 415657939 /nfs/dbraw/zinc/65/79/39/415657939.db2.gz VVTMKSNMSBZEQM-GOEBONIOSA-N 1 3 262.397 2.127 20 30 CEEDHO C=CC[C@]1(C(=O)NCCN2CCCC[C@H]2CC)CCC[NH2+]1 ZINC000662735363 415949146 /nfs/dbraw/zinc/94/91/46/415949146.db2.gz NBTYQYRKVFEHJF-NVXWUHKLSA-N 1 3 293.455 2.065 20 30 CEEDHO CCCN(CC[NH+]1CCCCCC1)C(=O)C(C)C#N ZINC000356628847 266150873 /nfs/dbraw/zinc/15/08/73/266150873.db2.gz YTPLAOBIFRRFEG-CQSZACIVSA-N 1 3 265.401 2.261 20 30 CEEDHO CC[NH+](CC)[C@H](CNC(=O)C(C)C#N)Cc1ccccc1 ZINC000357841235 266375635 /nfs/dbraw/zinc/37/56/35/266375635.db2.gz VFVQYCPEGMVUGF-ZBFHGGJFSA-N 1 3 287.407 2.215 20 30 CEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C#N)c(F)c1 ZINC000421340275 267144530 /nfs/dbraw/zinc/14/45/30/267144530.db2.gz ICGCAJKNPLSTGT-HNNXBMFYSA-N 1 3 293.386 2.144 20 30 CEEDHO C[C@@H](CC[NH+]=C(N(C)C)N(C)C)N(C)Cc1ccccc1 ZINC000266997078 328171310 /nfs/dbraw/zinc/17/13/10/328171310.db2.gz YBQMDKNATQJWID-HNNXBMFYSA-N 1 3 290.455 2.376 20 30 CEEDHO CC[NH+]=C(NCC1(C)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262389138 330012277 /nfs/dbraw/zinc/01/22/77/330012277.db2.gz LUGRDYZOFMRUOB-HNNXBMFYSA-N 1 3 292.471 2.312 20 30 CEEDHO C=CCSCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422950583 330163759 /nfs/dbraw/zinc/16/37/59/330163759.db2.gz YKIJKSGFNBFUMR-NSHDSACASA-N 1 3 265.426 2.419 20 30 CEEDHO C=C(CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000423021943 330165751 /nfs/dbraw/zinc/16/57/51/330165751.db2.gz DBCKQHFDCDEZDI-NUEKZKHPSA-N 1 3 260.381 2.042 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423095696 330169821 /nfs/dbraw/zinc/16/98/21/330169821.db2.gz MZVZKZRFTBQEEB-QPSCCSFWSA-N 1 3 252.402 2.088 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000424383805 330349522 /nfs/dbraw/zinc/34/95/22/330349522.db2.gz UKRDIAWQIIXDCS-DDWPSWQVSA-N 1 3 258.365 2.312 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000424383806 330349525 /nfs/dbraw/zinc/34/95/25/330349525.db2.gz UKRDIAWQIIXDCS-KSYCFECVSA-N 1 3 258.365 2.312 20 30 CEEDHO CC(C#N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000347033423 335372795 /nfs/dbraw/zinc/37/27/95/335372795.db2.gz HMHIFDMOQASTGJ-CQSZACIVSA-N 1 3 285.391 2.174 20 30 CEEDHO CCNC(NCC1(N(C)C)CCCCCC1)=[NH+]CC ZINC000727242895 574449391 /nfs/dbraw/zinc/44/93/91/574449391.db2.gz PYVKOAPCIXVYRE-UHFFFAOYSA-N 1 3 268.449 2.216 20 30 CEEDHO C=CC[NH2+]C1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000963912584 613859266 /nfs/dbraw/zinc/85/92/66/613859266.db2.gz MWSVKUAJIMQCGN-QQFBHYJXSA-N 1 3 293.455 2.016 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(C)nc1C ZINC000815651805 633043949 /nfs/dbraw/zinc/04/39/49/633043949.db2.gz DOSXSNQPAOIFKI-AWEZNQCLSA-N 1 3 259.397 2.304 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(C)nc1C ZINC000815651805 633043954 /nfs/dbraw/zinc/04/39/54/633043954.db2.gz DOSXSNQPAOIFKI-AWEZNQCLSA-N 1 3 259.397 2.304 20 30 CEEDHO N#CCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000817918657 633776951 /nfs/dbraw/zinc/77/69/51/633776951.db2.gz MAWYIVVZLUHUPO-HOTGVXAUSA-N 1 3 273.380 2.339 20 30 CEEDHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000900659519 633796057 /nfs/dbraw/zinc/79/60/57/633796057.db2.gz OUJBCZCHXIXMJL-UHFFFAOYSA-N 1 3 295.471 2.217 20 30 CEEDHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817958069 633801383 /nfs/dbraw/zinc/80/13/83/633801383.db2.gz GWYBYQXJSWNNNY-WFASDCNBSA-N 1 3 261.369 2.223 20 30 CEEDHO C#CCSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903120761 634980519 /nfs/dbraw/zinc/98/05/19/634980519.db2.gz OOIIMMZWMNYWCP-LQDVMPOASA-N 1 3 264.438 2.100 20 30 CEEDHO C#CCSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903120761 634980522 /nfs/dbraw/zinc/98/05/22/634980522.db2.gz OOIIMMZWMNYWCP-LQDVMPOASA-N 1 3 264.438 2.100 20 30 CEEDHO N#CC1CCC(C[N@@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000903452663 635136810 /nfs/dbraw/zinc/13/68/10/635136810.db2.gz PTCBOTSOQCEDFD-UYSNPLJNSA-N 1 3 261.413 2.392 20 30 CEEDHO N#CC1CCC(C[N@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000903452663 635136813 /nfs/dbraw/zinc/13/68/13/635136813.db2.gz PTCBOTSOQCEDFD-UYSNPLJNSA-N 1 3 261.413 2.392 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708294 638384671 /nfs/dbraw/zinc/38/46/71/638384671.db2.gz VPXKZNNGXNCDRD-GJZGRUSLSA-N 1 3 283.460 2.262 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855527 638444889 /nfs/dbraw/zinc/44/48/89/638444889.db2.gz HYZKEVJUCKHPHS-OWCLPIDISA-N 1 3 295.471 2.417 20 30 CEEDHO C=CCN1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011665 642891161 /nfs/dbraw/zinc/89/11/61/642891161.db2.gz PSRLYBCJUACLAK-MRXNPFEDSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCN1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003011665 642891167 /nfs/dbraw/zinc/89/11/67/642891167.db2.gz PSRLYBCJUACLAK-MRXNPFEDSA-N 1 3 293.455 2.016 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000865847923 647491934 /nfs/dbraw/zinc/49/19/34/647491934.db2.gz PSSRNYGUVAQELA-KURKYZTESA-N 1 3 281.403 2.242 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000865847923 647491936 /nfs/dbraw/zinc/49/19/36/647491936.db2.gz PSSRNYGUVAQELA-KURKYZTESA-N 1 3 281.403 2.242 20 30 CEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(CC(C)C)CC1 ZINC000134035848 652759293 /nfs/dbraw/zinc/75/92/93/652759293.db2.gz VSDFDTGGLCMPPX-AWEZNQCLSA-N 1 3 280.460 2.201 20 30 CEEDHO C[C@@H](CC[NH2+]Cc1ccc(N(C)CCC#N)cc1)N(C)C ZINC000895300401 805796552 /nfs/dbraw/zinc/79/65/52/805796552.db2.gz WSPFJJBLNRYOAV-HNNXBMFYSA-N 1 3 288.439 2.466 20 30 CEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001271447508 805959852 /nfs/dbraw/zinc/95/98/52/805959852.db2.gz KXALJUWZFIZHLB-HZPDHXFCSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167045313 802315471 /nfs/dbraw/zinc/31/54/71/802315471.db2.gz SIUMSBFQDCDAJA-OAHLLOKOSA-N 1 3 295.471 2.025 20 30 CEEDHO C=C(C)CN(C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266362840 802490729 /nfs/dbraw/zinc/49/07/29/802490729.db2.gz WTHAVVYEIOMSHU-MRXNPFEDSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(C)C ZINC001127066275 807002476 /nfs/dbraw/zinc/00/24/76/807002476.db2.gz KUSAGJCBANNKCU-INIZCTEOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167636315 803225241 /nfs/dbraw/zinc/22/52/41/803225241.db2.gz RXSCTPCAPLHQMN-INIZCTEOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1CC ZINC001269184001 805072505 /nfs/dbraw/zinc/07/25/05/805072505.db2.gz XGCUXIKAIIVLRC-CVEARBPZSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCC1 ZINC001280497557 809246380 /nfs/dbraw/zinc/24/63/80/809246380.db2.gz RHFINWBQXBROBC-UHFFFAOYSA-N 1 3 293.455 2.065 20 30 CEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001038322517 810821187 /nfs/dbraw/zinc/82/11/87/810821187.db2.gz SAFWKDQOYMBJBR-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001038322517 810821196 /nfs/dbraw/zinc/82/11/96/810821196.db2.gz SAFWKDQOYMBJBR-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156530088 811800283 /nfs/dbraw/zinc/80/02/83/811800283.db2.gz KJHZOJPLIBJYJP-OAHLLOKOSA-N 1 3 283.460 2.121 20 30 CEEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156530088 811800305 /nfs/dbraw/zinc/80/03/05/811800305.db2.gz KJHZOJPLIBJYJP-OAHLLOKOSA-N 1 3 283.460 2.121 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584532 813292667 /nfs/dbraw/zinc/29/26/67/813292667.db2.gz UYCLXBPLPDGMJA-HUUCEWRRSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773737 813322927 /nfs/dbraw/zinc/32/29/27/813322927.db2.gz RCPWYJDOZPDLSK-KGLIPLIRSA-N 1 3 283.460 2.166 20 30 CEEDHO C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100901644 814201870 /nfs/dbraw/zinc/20/18/70/814201870.db2.gz GNRFEWQUGAKYAY-FHERZECASA-N 1 3 295.471 2.167 20 30 CEEDHO N#Cc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000592470969 345358442 /nfs/dbraw/zinc/35/84/42/345358442.db2.gz PXTAJIAXPDLWDW-AEGPPILISA-N 1 3 273.355 2.175 20 30 CEEDHO N#Cc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322863 345466548 /nfs/dbraw/zinc/46/65/48/345466548.db2.gz PFPJHJYVMJQFHB-KURKYZTESA-N 1 3 299.418 2.419 20 30 CEEDHO N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000593730192 345528915 /nfs/dbraw/zinc/52/89/15/345528915.db2.gz LPHUPMKAYWMLJI-KSZLIROESA-N 1 3 299.418 2.419 20 30 CEEDHO N#Cc1ccc(CNCC2CC[NH+](CC3CC3)CC2)o1 ZINC000595001034 345724125 /nfs/dbraw/zinc/72/41/25/345724125.db2.gz PFZCAKSYFJAQFY-UHFFFAOYSA-N 1 3 273.380 2.363 20 30 CEEDHO CN(CCc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000595328954 345763117 /nfs/dbraw/zinc/76/31/17/345763117.db2.gz CQJXRLKKMKPAOY-KRWDZBQOSA-N 1 3 271.408 2.374 20 30 CEEDHO CN(CCc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000595328954 345763120 /nfs/dbraw/zinc/76/31/20/345763120.db2.gz CQJXRLKKMKPAOY-KRWDZBQOSA-N 1 3 271.408 2.374 20 30 CEEDHO CC[C@H]1CN(CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595895926 345909447 /nfs/dbraw/zinc/90/94/47/345909447.db2.gz WKVJTUZRZJDCQO-HOTGVXAUSA-N 1 3 257.381 2.160 20 30 CEEDHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595511 346380475 /nfs/dbraw/zinc/38/04/75/346380475.db2.gz OUYUAISOMOBMRC-CABCVRRESA-N 1 3 281.444 2.093 20 30 CEEDHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595511 346380477 /nfs/dbraw/zinc/38/04/77/346380477.db2.gz OUYUAISOMOBMRC-CABCVRRESA-N 1 3 281.444 2.093 20 30 CEEDHO Cc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600709069 346674873 /nfs/dbraw/zinc/67/48/73/346674873.db2.gz NYPZCYMZLVHIHD-USXIJHARSA-N 1 3 269.392 2.426 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602683128 347143479 /nfs/dbraw/zinc/14/34/79/347143479.db2.gz PKQNZGQVCMTMOK-WZYMTQMTSA-N 1 3 291.439 2.300 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602683128 347143482 /nfs/dbraw/zinc/14/34/82/347143482.db2.gz PKQNZGQVCMTMOK-WZYMTQMTSA-N 1 3 291.439 2.300 20 30 CEEDHO CC(C#N)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609920066 347655617 /nfs/dbraw/zinc/65/56/17/347655617.db2.gz BKZQWJKDHXNBHS-CQSZACIVSA-N 1 3 277.412 2.261 20 30 CEEDHO CCCC[N@H+](C)CC1CCN(CCOCCC#N)CC1 ZINC000338914772 366570018 /nfs/dbraw/zinc/57/00/18/366570018.db2.gz CJDGHXFPGAQENV-UHFFFAOYSA-N 1 3 281.444 2.361 20 30 CEEDHO CCCC[N@@H+](C)CC1CCN(CCOCCC#N)CC1 ZINC000338914772 366570024 /nfs/dbraw/zinc/57/00/24/366570024.db2.gz CJDGHXFPGAQENV-UHFFFAOYSA-N 1 3 281.444 2.361 20 30 CEEDHO CC[NH+](CC)CCCC1CCN(CC#CCOC)CC1 ZINC000679874412 541329033 /nfs/dbraw/zinc/32/90/33/541329033.db2.gz VGRNRVDMOFVZAQ-UHFFFAOYSA-N 1 3 280.456 2.470 20 30 CEEDHO N#CC1(c2ccccc2)CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000335562890 364805652 /nfs/dbraw/zinc/80/56/52/364805652.db2.gz ZVKHSQZRQPDXIG-BXXFKTFBSA-N 1 3 281.403 2.198 20 30 CEEDHO C#CCOc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000113311070 364887249 /nfs/dbraw/zinc/88/72/49/364887249.db2.gz UJKHAYHIUZNIGJ-UHFFFAOYSA-N 1 3 274.408 2.376 20 30 CEEDHO CC[C@@H](C)NC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179712259 368349109 /nfs/dbraw/zinc/34/91/09/368349109.db2.gz ROISVPZPLFTVHM-CYBMUJFWSA-N 1 3 289.427 2.001 20 30 CEEDHO C[NH+]1CCC(C)(CNCc2ccc(C#N)s2)CC1 ZINC000227327036 370366538 /nfs/dbraw/zinc/36/65/38/370366538.db2.gz KHVIGJZHFDQJAO-UHFFFAOYSA-N 1 3 263.410 2.441 20 30 CEEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000371421976 373877019 /nfs/dbraw/zinc/87/70/19/373877019.db2.gz CHASTLCMFVWFMY-INIZCTEOSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CCCC[N@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000371421976 373877022 /nfs/dbraw/zinc/87/70/22/373877022.db2.gz CHASTLCMFVWFMY-INIZCTEOSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CCCCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371421976 373877027 /nfs/dbraw/zinc/87/70/27/373877027.db2.gz CHASTLCMFVWFMY-INIZCTEOSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CCCCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371421976 373877031 /nfs/dbraw/zinc/87/70/31/373877031.db2.gz CHASTLCMFVWFMY-INIZCTEOSA-N 1 3 265.445 2.053 20 30 CEEDHO C=C(C)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420985833 376755916 /nfs/dbraw/zinc/75/59/16/376755916.db2.gz WZBSXZVCGXCAJC-UHFFFAOYSA-N 1 3 265.445 2.055 20 30 CEEDHO C=C(C)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420985833 376755929 /nfs/dbraw/zinc/75/59/29/376755929.db2.gz WZBSXZVCGXCAJC-UHFFFAOYSA-N 1 3 265.445 2.055 20 30 CEEDHO C#CCCOc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000291692520 377206697 /nfs/dbraw/zinc/20/66/97/377206697.db2.gz JEIGYRRFQBLGRY-HNNXBMFYSA-N 1 3 274.408 2.376 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437838796 377868589 /nfs/dbraw/zinc/86/85/89/377868589.db2.gz LSBLEPQWSQTDSA-GXTWGEPZSA-N 1 3 263.385 2.059 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437838796 377868596 /nfs/dbraw/zinc/86/85/96/377868596.db2.gz LSBLEPQWSQTDSA-GXTWGEPZSA-N 1 3 263.385 2.059 20 30 CEEDHO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)CN1CCCCC1 ZINC000037621613 394497086 /nfs/dbraw/zinc/49/70/86/394497086.db2.gz ODAIBQKUDWUGLX-GXTWGEPZSA-N 1 3 255.406 2.335 20 30 CEEDHO C=CCC[C@H](CO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000320661393 394546536 /nfs/dbraw/zinc/54/65/36/394546536.db2.gz QOGQSDPVYLCNKH-QLFBSQMISA-N 1 3 254.418 2.214 20 30 CEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccccc1 ZINC000104153209 394717845 /nfs/dbraw/zinc/71/78/45/394717845.db2.gz SXDLHTVDABXPQJ-MRXNPFEDSA-N 1 3 288.439 2.008 20 30 CEEDHO N#Cc1ccccc1CSCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422989521 394874775 /nfs/dbraw/zinc/87/47/75/394874775.db2.gz MCPIITDHCPRENP-HUUCEWRRSA-N 1 3 275.421 2.261 20 30 CEEDHO C=CCOCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000339043416 394938045 /nfs/dbraw/zinc/93/80/45/394938045.db2.gz GEQOUSLEKIMBGE-ZBFHGGJFSA-N 1 3 264.413 2.138 20 30 CEEDHO C=CCOCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000339043416 394938048 /nfs/dbraw/zinc/93/80/48/394938048.db2.gz GEQOUSLEKIMBGE-ZBFHGGJFSA-N 1 3 264.413 2.138 20 30 CEEDHO C=C(C)COCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000353616948 395303391 /nfs/dbraw/zinc/30/33/91/395303391.db2.gz CFKDXUGXDVZHSL-RBSFLKMASA-N 1 3 252.402 2.042 20 30 CEEDHO C=C(C)COCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353616948 395303394 /nfs/dbraw/zinc/30/33/94/395303394.db2.gz CFKDXUGXDVZHSL-RBSFLKMASA-N 1 3 252.402 2.042 20 30 CEEDHO C=C(C)COCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353616948 395303396 /nfs/dbraw/zinc/30/33/96/395303396.db2.gz CFKDXUGXDVZHSL-RBSFLKMASA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CC1 ZINC000442869511 395397308 /nfs/dbraw/zinc/39/73/08/395397308.db2.gz DMNHYLDCIPHNOH-INIZCTEOSA-N 1 3 279.472 2.347 20 30 CEEDHO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000574031626 395624666 /nfs/dbraw/zinc/62/46/66/395624666.db2.gz FBVXYNBGNGJSCI-PCKAHOCUSA-N 1 3 285.391 2.200 20 30 CEEDHO C=CCCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106679 396294998 /nfs/dbraw/zinc/29/49/98/396294998.db2.gz LLDGSXKMOJVVDN-UHFFFAOYSA-N 1 3 252.402 2.139 20 30 CEEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CCN(CC)CC2)C1 ZINC000651750325 401383011 /nfs/dbraw/zinc/38/30/11/401383011.db2.gz CWIWYCIGGQCYPF-SJORKVTESA-N 1 3 279.472 2.348 20 30 CEEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000657886193 415114245 /nfs/dbraw/zinc/11/42/45/415114245.db2.gz ILEMKQUPNNQBBT-GJZGRUSLSA-N 1 3 266.429 2.168 20 30 CEEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCOCCN(C)C ZINC000657987709 415147224 /nfs/dbraw/zinc/14/72/24/415147224.db2.gz SYSCHQCHTMNQET-HUUCEWRRSA-N 1 3 254.418 2.289 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000347031900 226019984 /nfs/dbraw/zinc/01/99/84/226019984.db2.gz FINDWUYOUFFRMV-SYQHCUMBSA-N 1 3 263.385 2.010 20 30 CEEDHO C=CCOc1ccccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950847 419488664 /nfs/dbraw/zinc/48/86/64/419488664.db2.gz MBOZXGWXEYXTKY-INIZCTEOSA-N 1 3 272.392 2.483 20 30 CEEDHO CC(C#N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309783105 262020719 /nfs/dbraw/zinc/02/07/19/262020719.db2.gz LPNOMQFDYBPALO-IIAWOOMASA-N 1 3 285.391 2.173 20 30 CEEDHO CC(C#N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309783105 262020720 /nfs/dbraw/zinc/02/07/20/262020720.db2.gz LPNOMQFDYBPALO-IIAWOOMASA-N 1 3 285.391 2.173 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000425361279 264147750 /nfs/dbraw/zinc/14/77/50/264147750.db2.gz YQSUJJCFSLJBHY-YOEHRIQHSA-N 1 3 287.407 2.231 20 30 CEEDHO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000186702367 327700343 /nfs/dbraw/zinc/70/03/43/327700343.db2.gz GNJMIIJEXUQCTL-HOCLYGCPSA-N 1 3 292.423 2.215 20 30 CEEDHO C=CCCOCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261570916 327353690 /nfs/dbraw/zinc/35/36/90/327353690.db2.gz PUHGGABHSRXDEO-ARFHVFGLSA-N 1 3 266.429 2.480 20 30 CEEDHO CC(C)NC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262417086 330008976 /nfs/dbraw/zinc/00/89/76/330008976.db2.gz QIVYDSRUQPRXBG-GXTWGEPZSA-N 1 3 294.468 2.444 20 30 CEEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423019056 330165686 /nfs/dbraw/zinc/16/56/86/330165686.db2.gz TUYAYQFESMVRDA-ZJIFWQFVSA-N 1 3 266.429 2.071 20 30 CEEDHO C=CC[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423019056 330165687 /nfs/dbraw/zinc/16/56/87/330165687.db2.gz TUYAYQFESMVRDA-ZJIFWQFVSA-N 1 3 266.429 2.071 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423095698 330169968 /nfs/dbraw/zinc/16/99/68/330169968.db2.gz MZVZKZRFTBQEEB-XGUBFFRZSA-N 1 3 252.402 2.088 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000424374034 330348310 /nfs/dbraw/zinc/34/83/10/330348310.db2.gz IOQOXJQOEVVFCR-SIRPWMCASA-N 1 3 278.440 2.478 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000451677755 331038574 /nfs/dbraw/zinc/03/85/74/331038574.db2.gz CKBWUMWTOFTRTN-CABCVRRESA-N 1 3 252.402 2.186 20 30 CEEDHO CCNC(NC[C@H]1CCN(Cc2ccccc2)C1)=[NH+]CC ZINC000195165006 331139215 /nfs/dbraw/zinc/13/92/15/331139215.db2.gz WSTWXJQUGCTGDP-MRXNPFEDSA-N 1 3 288.439 2.084 20 30 CEEDHO C=CCN1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353308314 526421608 /nfs/dbraw/zinc/42/16/08/526421608.db2.gz AHPFNHLEYOVHHD-INIZCTEOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCN1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353308314 526421611 /nfs/dbraw/zinc/42/16/11/526421611.db2.gz AHPFNHLEYOVHHD-INIZCTEOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC000970176605 613348625 /nfs/dbraw/zinc/34/86/25/613348625.db2.gz DXOIRAKYKQFMMN-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO CSc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1C#N ZINC000925771548 628773459 /nfs/dbraw/zinc/77/34/59/628773459.db2.gz BULGFVYUOAOBGF-TZMCWYRMSA-N 1 3 275.421 2.497 20 30 CEEDHO C#Cc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000809619114 632113162 /nfs/dbraw/zinc/11/31/62/632113162.db2.gz PJWGEJRWEFLFBQ-LJQANCHMSA-N 1 3 298.430 2.401 20 30 CEEDHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017958 634927346 /nfs/dbraw/zinc/92/73/46/634927346.db2.gz ULVXJMVDVHILTQ-KGLIPLIRSA-N 1 3 272.396 2.336 20 30 CEEDHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017958 634927348 /nfs/dbraw/zinc/92/73/48/634927348.db2.gz ULVXJMVDVHILTQ-KGLIPLIRSA-N 1 3 272.396 2.336 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@@](C)(C[NH3+])C1 ZINC000903453067 635137192 /nfs/dbraw/zinc/13/71/92/635137192.db2.gz XXHIRSBUDLWPCX-INIZCTEOSA-N 1 3 257.381 2.346 20 30 CEEDHO C=CCN(Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723921 635237385 /nfs/dbraw/zinc/23/73/85/635237385.db2.gz ZJVLUADLQCPGSH-ROUUACIJSA-N 1 3 286.419 2.443 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000911788619 638412502 /nfs/dbraw/zinc/41/25/02/638412502.db2.gz CGKGCXMYIHZYMV-OAHLLOKOSA-N 1 3 287.407 2.108 20 30 CEEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000997367211 642242811 /nfs/dbraw/zinc/24/28/11/642242811.db2.gz XRELCUNSLUHACY-INIZCTEOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[C@H](C)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000878020810 650975812 /nfs/dbraw/zinc/97/58/12/650975812.db2.gz QMSYOKBFMABAHV-YESZJQIVSA-N 1 3 279.472 2.441 20 30 CEEDHO C=CC[C@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000878020810 650975814 /nfs/dbraw/zinc/97/58/14/650975814.db2.gz QMSYOKBFMABAHV-YESZJQIVSA-N 1 3 279.472 2.441 20 30 CEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001271447503 805959843 /nfs/dbraw/zinc/95/98/43/805959843.db2.gz KXALJUWZFIZHLB-CVEARBPZSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001088375568 806157868 /nfs/dbraw/zinc/15/78/68/806157868.db2.gz KTDNSOHFUMUIST-JKSUJKDBSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267110380 803136694 /nfs/dbraw/zinc/13/66/94/803136694.db2.gz BBADQPOXRVUUQG-HZPDHXFCSA-N 1 3 295.471 2.072 20 30 CEEDHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267110380 803136695 /nfs/dbraw/zinc/13/66/95/803136695.db2.gz BBADQPOXRVUUQG-HZPDHXFCSA-N 1 3 295.471 2.072 20 30 CEEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167627239 803217561 /nfs/dbraw/zinc/21/75/61/803217561.db2.gz MUUGMXLSKJBJMZ-INIZCTEOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCCC1 ZINC001115582130 814724215 /nfs/dbraw/zinc/72/42/15/814724215.db2.gz LUQDRIXZSAQESO-HNNXBMFYSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267584046 803569983 /nfs/dbraw/zinc/56/99/83/803569983.db2.gz BGYNFAZUUHFAEG-JKSUJKDBSA-N 1 3 295.471 2.073 20 30 CEEDHO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267584046 803569985 /nfs/dbraw/zinc/56/99/85/803569985.db2.gz BGYNFAZUUHFAEG-JKSUJKDBSA-N 1 3 295.471 2.073 20 30 CEEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001269129537 805058271 /nfs/dbraw/zinc/05/82/71/805058271.db2.gz MWVSBXKVYPIBHM-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001269129537 805058282 /nfs/dbraw/zinc/05/82/82/805058282.db2.gz MWVSBXKVYPIBHM-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[NH2+]C1(CNC(=O)CN(C)CCC)CCCCC1 ZINC001120046438 815191860 /nfs/dbraw/zinc/19/18/60/815191860.db2.gz XSOTYHDFBZNIHX-UHFFFAOYSA-N 1 3 295.471 2.313 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC001122018000 815377832 /nfs/dbraw/zinc/37/78/32/815377832.db2.gz BKWDYCHJCQMDJK-HNNXBMFYSA-N 1 3 281.444 2.038 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001122116108 815385646 /nfs/dbraw/zinc/38/56/46/815385646.db2.gz QBKOILRBMGUFNV-ARFHVFGLSA-N 1 3 295.471 2.417 20 30 CEEDHO C[C@@H](CCCC#N)[N@@H+]1Cc2ccccc2C[C@H]1CN ZINC001172487323 815430387 /nfs/dbraw/zinc/43/03/87/815430387.db2.gz ARTMXLJDWFVFPI-BBRMVZONSA-N 1 3 257.381 2.454 20 30 CEEDHO C[C@@H](CCCC#N)[N@H+]1Cc2ccccc2C[C@H]1CN ZINC001172487323 815430389 /nfs/dbraw/zinc/43/03/89/815430389.db2.gz ARTMXLJDWFVFPI-BBRMVZONSA-N 1 3 257.381 2.454 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129444282 812492903 /nfs/dbraw/zinc/49/29/03/812492903.db2.gz QBSJLGDQSFCLAZ-OAHLLOKOSA-N 1 3 283.460 2.003 20 30 CEEDHO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135477662 813447052 /nfs/dbraw/zinc/44/70/52/813447052.db2.gz VVNXLZGOZNWNJD-KGLIPLIRSA-N 1 3 283.460 2.023 20 30 CEEDHO C=CCCCCCC[C@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246035389 813666898 /nfs/dbraw/zinc/66/68/98/813666898.db2.gz RLDTUCJLMGOLSQ-ZACQAIPSSA-N 1 3 280.456 2.415 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171247519 814222547 /nfs/dbraw/zinc/22/25/47/814222547.db2.gz LLWUWZUYZINGRP-GOEBONIOSA-N 1 3 295.471 2.167 20 30 CEEDHO CC[NH+](CC)C1CCC([NH2+][C@@H](CC(C)C)C(=O)N[O-])CC1 ZINC001173108434 815582814 /nfs/dbraw/zinc/58/28/14/815582814.db2.gz KNUIXJXWDSUYRS-NRXISQOPSA-N 1 3 299.459 2.149 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175108960 816133459 /nfs/dbraw/zinc/13/34/59/816133459.db2.gz XKUBQPUPDBJIKP-JKSUJKDBSA-N 1 3 297.487 2.413 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175303888 816170679 /nfs/dbraw/zinc/17/06/79/816170679.db2.gz HWWHLDIADQYCIJ-CABCVRRESA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176953926 816499672 /nfs/dbraw/zinc/49/96/72/816499672.db2.gz UHXZQJOGOKSRLZ-UHFFFAOYSA-N 1 3 289.423 2.034 20 30 CEEDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748864 361928849 /nfs/dbraw/zinc/92/88/49/361928849.db2.gz ZVOPWJSXNWXECR-IOASZLSFSA-N 1 3 257.381 2.377 20 30 CEEDHO C=CC[C@H](C)[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128323579 365783910 /nfs/dbraw/zinc/78/39/10/365783910.db2.gz MYSRWPYMMKCHLM-HOTGVXAUSA-N 1 3 267.461 2.204 20 30 CEEDHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533036 347068767 /nfs/dbraw/zinc/06/87/67/347068767.db2.gz YMUISWNGYYBNNO-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533036 347068771 /nfs/dbraw/zinc/06/87/71/347068771.db2.gz YMUISWNGYYBNNO-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO CCCN1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533036 347068775 /nfs/dbraw/zinc/06/87/75/347068775.db2.gz YMUISWNGYYBNNO-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525052 347066013 /nfs/dbraw/zinc/06/60/13/347066013.db2.gz QCEPFMNLCPQKJN-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525052 347066014 /nfs/dbraw/zinc/06/60/14/347066014.db2.gz QCEPFMNLCPQKJN-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO N#Cc1cccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593314277 345465411 /nfs/dbraw/zinc/46/54/11/345465411.db2.gz BOFKHBVYSJWTDX-KSZLIROESA-N 1 3 299.418 2.277 20 30 CEEDHO N#Cc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322864 345466629 /nfs/dbraw/zinc/46/66/29/345466629.db2.gz PFPJHJYVMJQFHB-KZNAEPCWSA-N 1 3 299.418 2.419 20 30 CEEDHO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000595073181 345739254 /nfs/dbraw/zinc/73/92/54/345739254.db2.gz SXMODRFFERNGTB-FGTMMUONSA-N 1 3 299.418 2.035 20 30 CEEDHO C[C@@H]1C[C@H](C)N(CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595891117 345907597 /nfs/dbraw/zinc/90/75/97/345907597.db2.gz ALTMNOVBUFPBQG-JKIFEVAISA-N 1 3 271.408 2.406 20 30 CEEDHO C[C@@H]1C[C@H](C)[N@H+](CCc2ccc(C#N)cc2)C[C@H]1CN ZINC000595891117 345907599 /nfs/dbraw/zinc/90/75/99/345907599.db2.gz ALTMNOVBUFPBQG-JKIFEVAISA-N 1 3 271.408 2.406 20 30 CEEDHO C[C@@H]1C[C@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1CN ZINC000595891117 345907602 /nfs/dbraw/zinc/90/76/02/345907602.db2.gz ALTMNOVBUFPBQG-JKIFEVAISA-N 1 3 271.408 2.406 20 30 CEEDHO C[NH2+]CCOCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000600709882 346675330 /nfs/dbraw/zinc/67/53/30/346675330.db2.gz KMGRMXUBKFIYQE-KRWDZBQOSA-N 1 3 287.407 2.151 20 30 CEEDHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654475 347125615 /nfs/dbraw/zinc/12/56/15/347125615.db2.gz BVONIFKKQIWWBC-JKSUJKDBSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654475 347125618 /nfs/dbraw/zinc/12/56/18/347125618.db2.gz BVONIFKKQIWWBC-JKSUJKDBSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654475 347125620 /nfs/dbraw/zinc/12/56/20/347125620.db2.gz BVONIFKKQIWWBC-JKSUJKDBSA-N 1 3 293.455 2.405 20 30 CEEDHO N#Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000404815790 233194515 /nfs/dbraw/zinc/19/45/15/233194515.db2.gz BEBYTCRWHNOTDE-HIFRSBDPSA-N 1 3 261.344 2.304 20 30 CEEDHO C=CC[C@H]1CCN(CC(O)C[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625701357 350550610 /nfs/dbraw/zinc/55/06/10/350550610.db2.gz JJHQFAJVGCOYNK-HOTGVXAUSA-N 1 3 278.440 2.143 20 30 CEEDHO C=CC[C@H]1CCN(CC(O)C[N@H+]2CC[C@H](CC=C)C2)C1 ZINC000625701357 350550613 /nfs/dbraw/zinc/55/06/13/350550613.db2.gz JJHQFAJVGCOYNK-HOTGVXAUSA-N 1 3 278.440 2.143 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000580080977 366748327 /nfs/dbraw/zinc/74/83/27/366748327.db2.gz ZBPAQDPDBGGEFC-ZWKOTPCHSA-N 1 3 299.418 2.277 20 30 CEEDHO CN(CCCNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170908659 367445061 /nfs/dbraw/zinc/44/50/61/367445061.db2.gz SSIGBGNTWVJERU-UHFFFAOYSA-N 1 3 297.406 2.330 20 30 CEEDHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429893 220077036 /nfs/dbraw/zinc/07/70/36/220077036.db2.gz VDIMEIAZVUVNKF-RHSMWYFYSA-N 1 3 269.392 2.477 20 30 CEEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000371421977 373877737 /nfs/dbraw/zinc/87/77/37/373877737.db2.gz CHASTLCMFVWFMY-MRXNPFEDSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000371421977 373877744 /nfs/dbraw/zinc/87/77/44/373877744.db2.gz CHASTLCMFVWFMY-MRXNPFEDSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CCCCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371421977 373877749 /nfs/dbraw/zinc/87/77/49/373877749.db2.gz CHASTLCMFVWFMY-MRXNPFEDSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CCCCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371421977 373877756 /nfs/dbraw/zinc/87/77/56/373877756.db2.gz CHASTLCMFVWFMY-MRXNPFEDSA-N 1 3 265.445 2.053 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398166191 375346540 /nfs/dbraw/zinc/34/65/40/375346540.db2.gz MRWMPLKTXKJKSF-FMKPAKJESA-N 1 3 285.391 2.173 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398166191 375346545 /nfs/dbraw/zinc/34/65/45/375346545.db2.gz MRWMPLKTXKJKSF-FMKPAKJESA-N 1 3 285.391 2.173 20 30 CEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(C)C#N ZINC000431550755 377651182 /nfs/dbraw/zinc/65/11/82/377651182.db2.gz PVAGZUBMPITGFC-MELADBBJSA-N 1 3 265.401 2.163 20 30 CEEDHO CN(C)[C@H]1CCC[N@H+](CCCSCC#N)CC1 ZINC000372988671 395051133 /nfs/dbraw/zinc/05/11/33/395051133.db2.gz FPPYGQTYQKKPSP-ZDUSSCGKSA-N 1 3 255.431 2.049 20 30 CEEDHO CN(C)[C@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000372988671 395051135 /nfs/dbraw/zinc/05/11/35/395051135.db2.gz FPPYGQTYQKKPSP-ZDUSSCGKSA-N 1 3 255.431 2.049 20 30 CEEDHO CC[NH+](CC)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345800807 395078114 /nfs/dbraw/zinc/07/81/14/395078114.db2.gz YNORJBKQEBQFBV-CYBMUJFWSA-N 1 3 273.380 2.304 20 30 CEEDHO C=CCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346859475 395110525 /nfs/dbraw/zinc/11/05/25/395110525.db2.gz SDVYOSFTACMICH-USXIJHARSA-N 1 3 272.392 2.421 20 30 CEEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442861206 395396120 /nfs/dbraw/zinc/39/61/20/395396120.db2.gz DBBVLZNZJTXRRO-LSDHHAIUSA-N 1 3 267.461 2.203 20 30 CEEDHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040010 395572718 /nfs/dbraw/zinc/57/27/18/395572718.db2.gz PYLOABWVPKKNIV-YOEHRIQHSA-N 1 3 269.392 2.477 20 30 CEEDHO C[N@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040010 395572719 /nfs/dbraw/zinc/57/27/19/395572719.db2.gz PYLOABWVPKKNIV-YOEHRIQHSA-N 1 3 269.392 2.477 20 30 CEEDHO CC(C#N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000347088037 226044757 /nfs/dbraw/zinc/04/47/57/226044757.db2.gz PKTRPFXZFGXIFG-KBPBESRZSA-N 1 3 285.391 2.488 20 30 CEEDHO CC(C#N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000336064710 228184566 /nfs/dbraw/zinc/18/45/66/228184566.db2.gz YUVAPIPVECNNRP-GFCCVEGCSA-N 1 3 263.385 2.059 20 30 CEEDHO CN(C)C1(CNC(=[NH2+])Nc2ccccn2)CCCCC1 ZINC000263077042 262794350 /nfs/dbraw/zinc/79/43/50/262794350.db2.gz COSDRILMMRUORS-UHFFFAOYSA-N 1 3 275.400 2.073 20 30 CEEDHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1 ZINC000366691516 263132508 /nfs/dbraw/zinc/13/25/08/263132508.db2.gz BSBROURUULZYLB-VQHPVUNQSA-N 1 3 289.423 2.078 20 30 CEEDHO C=CC[C@H](CO)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000341885343 263363288 /nfs/dbraw/zinc/36/32/88/263363288.db2.gz WTJMDVCDOFQMQX-ZDUSSCGKSA-N 1 3 254.418 2.024 20 30 CEEDHO C=CC[C@H](CO)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000341885343 263363289 /nfs/dbraw/zinc/36/32/89/263363289.db2.gz WTJMDVCDOFQMQX-ZDUSSCGKSA-N 1 3 254.418 2.024 20 30 CEEDHO CC(C#N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000357793769 266363460 /nfs/dbraw/zinc/36/34/60/266363460.db2.gz IHNHLNKALRDIBM-CYBMUJFWSA-N 1 3 271.364 2.058 20 30 CEEDHO C=CCOCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000370358678 267311516 /nfs/dbraw/zinc/31/15/16/267311516.db2.gz QVABZSDBIXYXRB-UHFFFAOYSA-N 1 3 252.402 2.186 20 30 CEEDHO CC[C@@]1(C)CCN(C(NCC(C)(C)CN(C)C)=[NH+]C)C1 ZINC000261861374 329987035 /nfs/dbraw/zinc/98/70/35/329987035.db2.gz ZJHILKZVSKKEQB-INIZCTEOSA-N 1 3 282.476 2.272 20 30 CEEDHO CN1CC[NH+]=C1NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262673520 330025980 /nfs/dbraw/zinc/02/59/80/330025980.db2.gz SCOZYDHSHDBXFV-TZMCWYRMSA-N 1 3 292.452 2.022 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423095647 330169756 /nfs/dbraw/zinc/16/97/56/330169756.db2.gz MUMPYMAWAQGYPD-QPSCCSFWSA-N 1 3 252.402 2.088 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)[C@@H]1CCCN1 ZINC000423095647 330169757 /nfs/dbraw/zinc/16/97/57/330169757.db2.gz MUMPYMAWAQGYPD-QPSCCSFWSA-N 1 3 252.402 2.088 20 30 CEEDHO C=CCC[C@@H]([NH2+]CCCCN1CCN(C)CC1)C1CC1 ZINC000120145868 330385777 /nfs/dbraw/zinc/38/57/77/330385777.db2.gz GVLGBVIKCDTQKG-QGZVFWFLSA-N 1 3 279.472 2.348 20 30 CEEDHO C[C@H]1CCC[C@H]([NH+]2CCC(=Nn3cnnc3)CC2)C1 ZINC000733743527 574686193 /nfs/dbraw/zinc/68/61/93/574686193.db2.gz XCULTPXDKDPJGI-JSGCOSHPSA-N 1 3 261.373 2.157 20 30 CEEDHO C[C@@H]1CCC[C@H]([NH+]2CCC(=Nn3cnnc3)CC2)C1 ZINC000733743528 574686239 /nfs/dbraw/zinc/68/62/39/574686239.db2.gz XCULTPXDKDPJGI-OCCSQVGLSA-N 1 3 261.373 2.157 20 30 CEEDHO C#CCCC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000742382520 575018651 /nfs/dbraw/zinc/01/86/51/575018651.db2.gz BUYFVRJUDKVFJK-UHFFFAOYSA-N 1 3 260.381 2.130 20 30 CEEDHO C#CCC1(NCCC[NH2+]C2(CC#C)CCC2)CCC1 ZINC000933298929 623622164 /nfs/dbraw/zinc/62/21/64/623622164.db2.gz LUCRLBBRDNPHKS-UHFFFAOYSA-N 1 3 258.409 2.448 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1CCC[C@H](C[NH3+])C1 ZINC000903421402 635123181 /nfs/dbraw/zinc/12/31/81/635123181.db2.gz NVCFPXVNGBAJMJ-CQSZACIVSA-N 1 3 257.381 2.346 20 30 CEEDHO C=CC[C@@H]1CCC[N@@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903933795 635359455 /nfs/dbraw/zinc/35/94/55/635359455.db2.gz VNOUTHNHCLNKGH-CVEARBPZSA-N 1 3 290.455 2.134 20 30 CEEDHO C=CC[C@@H]1CCC[N@H+](C[C@H](CN)Cc2cnn(C)c2C)C1 ZINC000903933795 635359457 /nfs/dbraw/zinc/35/94/57/635359457.db2.gz VNOUTHNHCLNKGH-CVEARBPZSA-N 1 3 290.455 2.134 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000876708425 650407740 /nfs/dbraw/zinc/40/77/40/650407740.db2.gz PUKJBZLMWBWDMV-STQMWFEESA-N 1 3 289.851 2.083 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000876724886 650410579 /nfs/dbraw/zinc/41/05/79/650410579.db2.gz BKILYWYDOIEVME-ZDUSSCGKSA-N 1 3 281.787 2.157 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccccc1C[NH2+]C ZINC000911682032 638354371 /nfs/dbraw/zinc/35/43/71/638354371.db2.gz GJHDRZBAMGGMSA-CYBMUJFWSA-N 1 3 261.369 2.028 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911817270 638433206 /nfs/dbraw/zinc/43/32/06/638433206.db2.gz GBYOKSACZQXSFS-KKUMJFAQSA-N 1 3 283.460 2.260 20 30 CEEDHO C=CCC(C)(C)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849031120 642243784 /nfs/dbraw/zinc/24/37/84/642243784.db2.gz UXFBUOKFQWUBIE-CYBMUJFWSA-N 1 3 266.433 2.187 20 30 CEEDHO C[C@@H]1CCC[C@](CNC(=[NH2+])NC2CCCC2)(N(C)C)C1 ZINC000203056279 646460239 /nfs/dbraw/zinc/46/02/39/646460239.db2.gz DLJTYPAOGFCBHV-CJNGLKHVSA-N 1 3 280.460 2.344 20 30 CEEDHO CN(CC#Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000792222597 648627827 /nfs/dbraw/zinc/62/78/27/648627827.db2.gz WGGXDSTYQQFCRQ-UHFFFAOYSA-N 1 3 256.393 2.312 20 30 CEEDHO C=CCC[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218310 649593879 /nfs/dbraw/zinc/59/38/79/649593879.db2.gz CEJQZUOEJVOFCD-ZDUSSCGKSA-N 1 3 285.395 2.170 20 30 CEEDHO C#CCCCCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879001143 651226477 /nfs/dbraw/zinc/22/64/77/651226477.db2.gz QTGFGPYCHWDMII-INIZCTEOSA-N 1 3 266.429 2.223 20 30 CEEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@@H]1CCCO1 ZINC000883173162 652389060 /nfs/dbraw/zinc/38/90/60/652389060.db2.gz DMAGRUIOSKIPFI-JYJNAYRXSA-N 1 3 266.429 2.432 20 30 CEEDHO C[NH+](C)C1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001168297771 806635554 /nfs/dbraw/zinc/63/55/54/806635554.db2.gz KNZRRLLAXVDVHP-UHFFFAOYSA-N 1 3 280.803 2.313 20 30 CEEDHO C=CCCC[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167260660 802615509 /nfs/dbraw/zinc/61/55/09/802615509.db2.gz CXLAUWDAHXDMNZ-HNNXBMFYSA-N 1 3 295.471 2.169 20 30 CEEDHO CC[N@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001172313055 815366516 /nfs/dbraw/zinc/36/65/16/815366516.db2.gz OHNDIOLUVQOKLZ-JCGIZDLHSA-N 1 3 283.419 2.373 20 30 CEEDHO CC[N@@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001172313055 815366523 /nfs/dbraw/zinc/36/65/23/815366523.db2.gz OHNDIOLUVQOKLZ-JCGIZDLHSA-N 1 3 283.419 2.373 20 30 CEEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001172493452 815452980 /nfs/dbraw/zinc/45/29/80/815452980.db2.gz SVIXCXNMVHYAJV-HNNXBMFYSA-N 1 3 286.423 2.500 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979035 813577657 /nfs/dbraw/zinc/57/76/57/813577657.db2.gz BFTPWIBGTRERDW-CABCVRRESA-N 1 3 283.460 2.167 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175262712 816164993 /nfs/dbraw/zinc/16/49/93/816164993.db2.gz KIKRMZHDIWEPGV-HOTGVXAUSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178754661 816791728 /nfs/dbraw/zinc/79/17/28/816791728.db2.gz AYEDYFDQEKRWGL-INIZCTEOSA-N 1 3 297.487 2.415 20 30 CEEDHO C[C@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000333281207 539322849 /nfs/dbraw/zinc/32/28/49/539322849.db2.gz MLRNCKFXOTVOAL-RDTXWAMCSA-N 1 3 298.434 2.257 20 30 CEEDHO C[NH+]=C(NCC[C@@H](C)N(C)Cc1ccccc1)NC1CC1 ZINC000081777951 344064471 /nfs/dbraw/zinc/06/44/71/344064471.db2.gz HKAPJMLEQLTNST-CQSZACIVSA-N 1 3 288.439 2.224 20 30 CEEDHO CC(C)[N@H+](C)CC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000584695685 344976993 /nfs/dbraw/zinc/97/69/93/344976993.db2.gz AVSOBZRJQXVCQQ-UHFFFAOYSA-N 1 3 288.439 2.449 20 30 CEEDHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000584695685 344976995 /nfs/dbraw/zinc/97/69/95/344976995.db2.gz AVSOBZRJQXVCQQ-UHFFFAOYSA-N 1 3 288.439 2.449 20 30 CEEDHO C=CC[C@H]1CC[C@@H]([NH2+]CCCN(C)CCN(C)C)C1 ZINC000623087478 349934634 /nfs/dbraw/zinc/93/46/34/349934634.db2.gz TYMGPSHHPXMNBG-JKSUJKDBSA-N 1 3 267.461 2.204 20 30 CEEDHO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000595073183 345739383 /nfs/dbraw/zinc/73/93/83/345739383.db2.gz SXMODRFFERNGTB-KZNAEPCWSA-N 1 3 299.418 2.035 20 30 CEEDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc(F)cc1C#N ZINC000596359869 346007443 /nfs/dbraw/zinc/00/74/43/346007443.db2.gz GLQLNLYERMYUKP-ZDUSSCGKSA-N 1 3 292.402 2.381 20 30 CEEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc(F)cc1C#N ZINC000596359869 346007444 /nfs/dbraw/zinc/00/74/44/346007444.db2.gz GLQLNLYERMYUKP-ZDUSSCGKSA-N 1 3 292.402 2.381 20 30 CEEDHO C=CCCSCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000596651892 346072304 /nfs/dbraw/zinc/07/23/04/346072304.db2.gz RLUUPQOAVJJDQF-SOUVJXGZSA-N 1 3 284.469 2.042 20 30 CEEDHO CC(C#N)C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000597704250 346218792 /nfs/dbraw/zinc/21/87/92/346218792.db2.gz PSVGCEGXAAIBJZ-ZDUSSCGKSA-N 1 3 277.412 2.259 20 30 CEEDHO N#Cc1ccccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000598683295 346400456 /nfs/dbraw/zinc/40/04/56/346400456.db2.gz REDFTAHRMNJEMQ-RCCFBDPRSA-N 1 3 299.418 2.277 20 30 CEEDHO Cc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1C#N ZINC000600704770 346674344 /nfs/dbraw/zinc/67/43/44/346674344.db2.gz PXOXDRQZCTXPCE-ZDUSSCGKSA-N 1 3 257.381 2.426 20 30 CEEDHO C[NH+]1CCC([C@H]2CCN(Cc3cccc(C#N)n3)C2)CC1 ZINC000602661938 347129516 /nfs/dbraw/zinc/12/95/16/347129516.db2.gz JIEJZSSDVBOWDD-HNNXBMFYSA-N 1 3 284.407 2.117 20 30 CEEDHO C=CCC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CC1 ZINC000120081113 365369642 /nfs/dbraw/zinc/36/96/42/365369642.db2.gz HZZOMQQVYRVJNO-KRWDZBQOSA-N 1 3 279.472 2.347 20 30 CEEDHO C=C(C)CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000352050922 369663066 /nfs/dbraw/zinc/66/30/66/369663066.db2.gz WOIMPYBQJJJRBX-MRXNPFEDSA-N 1 3 265.445 2.055 20 30 CEEDHO C=C(C)CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000352050922 369663069 /nfs/dbraw/zinc/66/30/69/369663069.db2.gz WOIMPYBQJJJRBX-MRXNPFEDSA-N 1 3 265.445 2.055 20 30 CEEDHO C=CCCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000367614755 373167841 /nfs/dbraw/zinc/16/78/41/373167841.db2.gz IFHVFCXADBWIRJ-ZNMIVQPWSA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCCOCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367614755 373167847 /nfs/dbraw/zinc/16/78/47/373167847.db2.gz IFHVFCXADBWIRJ-ZNMIVQPWSA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCCOCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367614755 373167852 /nfs/dbraw/zinc/16/78/52/373167852.db2.gz IFHVFCXADBWIRJ-ZNMIVQPWSA-N 1 3 252.402 2.042 20 30 CEEDHO CN1CCC[C@@]2(CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292823533 377298333 /nfs/dbraw/zinc/29/83/33/377298333.db2.gz ABYHSGJILLSTHH-QGZVFWFLSA-N 1 3 269.392 2.476 20 30 CEEDHO CN1CCC[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292823533 377298337 /nfs/dbraw/zinc/29/83/37/377298337.db2.gz ABYHSGJILLSTHH-QGZVFWFLSA-N 1 3 269.392 2.476 20 30 CEEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000442793723 377995859 /nfs/dbraw/zinc/99/58/59/377995859.db2.gz OLKVOHUXCXERTF-XUWVNRHRSA-N 1 3 279.428 2.158 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(OC)c(F)c1 ZINC000295121377 378043270 /nfs/dbraw/zinc/04/32/70/378043270.db2.gz YRJOZKMHSFSWPA-CYBMUJFWSA-N 1 3 278.371 2.440 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(OC)c(F)c1 ZINC000295121377 378043276 /nfs/dbraw/zinc/04/32/76/378043276.db2.gz YRJOZKMHSFSWPA-CYBMUJFWSA-N 1 3 278.371 2.440 20 30 CEEDHO CCN1CCN(CCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449223712 378198937 /nfs/dbraw/zinc/19/89/37/378198937.db2.gz YOVITLQYPOUDGO-UHFFFAOYSA-N 1 3 292.471 2.076 20 30 CEEDHO C=CCC[C@H](CCC)[NH2+]CC1(O)CCN(C)CC1 ZINC000360253727 394795258 /nfs/dbraw/zinc/79/52/58/394795258.db2.gz TVQUFYFJSQZJRA-AWEZNQCLSA-N 1 3 254.418 2.168 20 30 CEEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000339013011 394936497 /nfs/dbraw/zinc/93/64/97/394936497.db2.gz ZMHHBHNNMLGAFG-HRCADAONSA-N 1 3 279.428 2.111 20 30 CEEDHO C#Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290630676 395110956 /nfs/dbraw/zinc/11/09/56/395110956.db2.gz XWZSKQGAWHBFQU-RHSMWYFYSA-N 1 3 256.393 2.440 20 30 CEEDHO C#Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290630676 395110962 /nfs/dbraw/zinc/11/09/62/395110962.db2.gz XWZSKQGAWHBFQU-RHSMWYFYSA-N 1 3 256.393 2.440 20 30 CEEDHO C=C(C)CCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000351843781 395237796 /nfs/dbraw/zinc/23/77/96/395237796.db2.gz HTIOCAFZKGCOSJ-IAGOWNOFSA-N 1 3 279.472 2.443 20 30 CEEDHO CC(C)CNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000203013700 261357294 /nfs/dbraw/zinc/35/72/94/261357294.db2.gz GHCWRAPDHHVFJK-HIFRSBDPSA-N 1 3 268.449 2.057 20 30 CEEDHO C=C(C)COCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253157917 264322621 /nfs/dbraw/zinc/32/26/21/264322621.db2.gz QKGMDFKHBJMAPI-RRFJBIMHSA-N 1 3 252.402 2.089 20 30 CEEDHO C=C(C)COCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000163589518 264358174 /nfs/dbraw/zinc/35/81/74/264358174.db2.gz OYMBSYWJEGATBT-HUUCEWRRSA-N 1 3 254.418 2.480 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423095885 330169838 /nfs/dbraw/zinc/16/98/38/330169838.db2.gz NJOQFXPOYIWXSI-KBXIAJHMSA-N 1 3 252.402 2.075 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000424374037 330348331 /nfs/dbraw/zinc/34/83/31/330348331.db2.gz IOQOXJQOEVVFCR-VIQHNZTISA-N 1 3 278.440 2.478 20 30 CEEDHO CC(C)(C)NC(=[NH2+])NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195291207 331166671 /nfs/dbraw/zinc/16/66/71/331166671.db2.gz WKSXYUQYFAQLTF-HNNXBMFYSA-N 1 3 288.439 2.211 20 30 CEEDHO C=CCN1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729976739 574497665 /nfs/dbraw/zinc/49/76/65/574497665.db2.gz FKIPKVKSMWKLNG-UHFFFAOYSA-N 1 3 293.455 2.019 20 30 CEEDHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(C#N)cc1 ZINC000926680023 625705193 /nfs/dbraw/zinc/70/51/93/625705193.db2.gz JPYQIZHLYBMFNX-SJPCQFCGSA-N 1 3 269.392 2.031 20 30 CEEDHO C=C(C)C[C@H](CO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000925770697 628768226 /nfs/dbraw/zinc/76/82/26/628768226.db2.gz KOBYCOTVDNDLME-RRFJBIMHSA-N 1 3 254.418 2.214 20 30 CEEDHO C#C[C@H](NCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000894574376 629541157 /nfs/dbraw/zinc/54/11/57/629541157.db2.gz DXULAAYSDRDHLS-INIZCTEOSA-N 1 3 260.356 2.431 20 30 CEEDHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCC#N)cc1 ZINC000817917395 633775638 /nfs/dbraw/zinc/77/56/38/633775638.db2.gz FMYUHGQHVXYZKE-BBRMVZONSA-N 1 3 273.380 2.067 20 30 CEEDHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCC#N)cc1 ZINC000817917397 633776046 /nfs/dbraw/zinc/77/60/46/633776046.db2.gz FMYUHGQHVXYZKE-CZUORRHYSA-N 1 3 273.380 2.067 20 30 CEEDHO N#Cc1ccc(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000903825285 635292630 /nfs/dbraw/zinc/29/26/30/635292630.db2.gz YLQGDGXZPRWUAM-OAHLLOKOSA-N 1 3 269.392 2.347 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NCC1(N(C)C)CCCCC1 ZINC000848981101 642203290 /nfs/dbraw/zinc/20/32/90/642203290.db2.gz LAZWRFQACUGYDP-UHFFFAOYSA-N 1 3 292.427 2.209 20 30 CEEDHO C=CCC[C@@H](O)CN(CCC[NH3+])Cc1ccccc1 ZINC000923348952 643672588 /nfs/dbraw/zinc/67/25/88/643672588.db2.gz PLYRJPABRJVARN-MRXNPFEDSA-N 1 3 262.397 2.165 20 30 CEEDHO C[C@@H]1CN(CCCCC#N)CCN1c1cc[nH+]cc1 ZINC000880260124 651412254 /nfs/dbraw/zinc/41/22/54/651412254.db2.gz BBVQMILEFMKOJD-CQSZACIVSA-N 1 3 258.369 2.286 20 30 CEEDHO C#CC[C@@H](CO)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000883123786 652369586 /nfs/dbraw/zinc/36/95/86/652369586.db2.gz KWWDMPTVHSALKY-KRWDZBQOSA-N 1 3 288.435 2.118 20 30 CEEDHO C#CC[C@@H](CO)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000883123786 652369590 /nfs/dbraw/zinc/36/95/90/652369590.db2.gz KWWDMPTVHSALKY-KRWDZBQOSA-N 1 3 288.435 2.118 20 30 CEEDHO C=CC[C@H](C)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000715051415 814926231 /nfs/dbraw/zinc/92/62/31/814926231.db2.gz CDHCQGUXOMFSHU-HBNTYKKESA-N 1 3 250.308 2.410 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001266897164 802976210 /nfs/dbraw/zinc/97/62/10/802976210.db2.gz MBGYJKCENZWYSQ-HOTGVXAUSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CCC)C1 ZINC001266897164 802976214 /nfs/dbraw/zinc/97/62/14/802976214.db2.gz MBGYJKCENZWYSQ-HOTGVXAUSA-N 1 3 295.471 2.121 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896236 813172804 /nfs/dbraw/zinc/17/28/04/813172804.db2.gz FRZSRUYOVQXOKI-UHFFFAOYSA-N 1 3 297.487 2.395 20 30 CEEDHO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001267233193 803263955 /nfs/dbraw/zinc/26/39/55/803263955.db2.gz RTZXGNKVUHTKCR-HZPDHXFCSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001267233193 803263957 /nfs/dbraw/zinc/26/39/57/803263957.db2.gz RTZXGNKVUHTKCR-HZPDHXFCSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001267233192 803264338 /nfs/dbraw/zinc/26/43/38/803264338.db2.gz RTZXGNKVUHTKCR-HOTGVXAUSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001267233192 803264342 /nfs/dbraw/zinc/26/43/42/803264342.db2.gz RTZXGNKVUHTKCR-HOTGVXAUSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCN1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282255 803327579 /nfs/dbraw/zinc/32/75/79/803327579.db2.gz OZBXWSRTICDJNN-INIZCTEOSA-N 1 3 293.455 2.019 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001121991743 815374824 /nfs/dbraw/zinc/37/48/24/815374824.db2.gz ZKHYUFCEKDDEIQ-HOTGVXAUSA-N 1 3 295.471 2.298 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC001121991743 815374830 /nfs/dbraw/zinc/37/48/30/815374830.db2.gz ZKHYUFCEKDDEIQ-HOTGVXAUSA-N 1 3 295.471 2.298 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001085295720 810715548 /nfs/dbraw/zinc/71/55/48/810715548.db2.gz VWTULWHZVSMZRR-HUUCEWRRSA-N 1 3 293.455 2.064 20 30 CEEDHO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135467786 813441650 /nfs/dbraw/zinc/44/16/50/813441650.db2.gz JTPRFTAXFBGNOY-HUUCEWRRSA-N 1 3 295.471 2.167 20 30 CEEDHO CC(C)[C@@H](C#N)c1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170901287 813622828 /nfs/dbraw/zinc/62/28/28/813622828.db2.gz YMAFTLOAOLXVBY-CABCVRRESA-N 1 3 260.385 2.385 20 30 CEEDHO C=CCOC1CCC(NC[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246106896 813699655 /nfs/dbraw/zinc/69/96/55/813699655.db2.gz QLDKCPYMIZCTDG-UIDBIOKJSA-N 1 3 266.429 2.478 20 30 CEEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175107394 816132264 /nfs/dbraw/zinc/13/22/64/816132264.db2.gz NUBHZTMGZAOWPR-HUUCEWRRSA-N 1 3 283.460 2.023 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262711 816164208 /nfs/dbraw/zinc/16/42/08/816164208.db2.gz KIKRMZHDIWEPGV-CVEARBPZSA-N 1 3 295.471 2.169 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000593736973 345530476 /nfs/dbraw/zinc/53/04/76/345530476.db2.gz PKIUGQVGLJUBGC-BZSNNMDCSA-N 1 3 299.418 2.277 20 30 CEEDHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594424393 345625130 /nfs/dbraw/zinc/62/51/30/345625130.db2.gz CNILPLSQDVSSQP-SMDDNHRTSA-N 1 3 274.368 2.056 20 30 CEEDHO CC(C)(C#N)C[C@H](O)CNC1CC[NH+](C2CCCC2)CC1 ZINC000598725331 346409355 /nfs/dbraw/zinc/40/93/55/346409355.db2.gz NTXHRCPWUMZOKJ-INIZCTEOSA-N 1 3 293.455 2.284 20 30 CEEDHO CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000598725331 346409356 /nfs/dbraw/zinc/40/93/56/346409356.db2.gz NTXHRCPWUMZOKJ-INIZCTEOSA-N 1 3 293.455 2.284 20 30 CEEDHO CCN1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000063917539 362778707 /nfs/dbraw/zinc/77/87/07/362778707.db2.gz XPXQZESMZHNKOH-MRXNPFEDSA-N 1 3 257.381 2.380 20 30 CEEDHO CC[NH+](CC)CCO[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602786940 347197885 /nfs/dbraw/zinc/19/78/85/347197885.db2.gz ZZKCHJJHKPWMIX-HNNXBMFYSA-N 1 3 279.428 2.113 20 30 CEEDHO C[C@@H](CCC#N)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847875 347223335 /nfs/dbraw/zinc/22/33/35/347223335.db2.gz LHSSJXRDIYCTCC-AWEZNQCLSA-N 1 3 258.369 2.286 20 30 CEEDHO Cn1cc(CNCc2cccc(C[NH+](C)C)c2)cc1C#N ZINC000190728724 369648569 /nfs/dbraw/zinc/64/85/69/369648569.db2.gz YNHPSBWJSGPRKE-UHFFFAOYSA-N 1 3 282.391 2.248 20 30 CEEDHO Cn1cc(CN2CCC(CCC[NH+](C)C)CC2)cc1C#N ZINC000191406231 369709748 /nfs/dbraw/zinc/70/97/48/369709748.db2.gz WFGYJGYTYYLDKY-UHFFFAOYSA-N 1 3 288.439 2.451 20 30 CEEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264075135 371962513 /nfs/dbraw/zinc/96/25/13/371962513.db2.gz HABKFQSKKVKGHB-INIZCTEOSA-N 1 3 286.423 2.386 20 30 CEEDHO C#CCCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000269845710 372577720 /nfs/dbraw/zinc/57/77/20/372577720.db2.gz FUGUSYRTSCKTGY-KRWDZBQOSA-N 1 3 256.393 2.464 20 30 CEEDHO C#CCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000269845710 372577726 /nfs/dbraw/zinc/57/77/26/372577726.db2.gz FUGUSYRTSCKTGY-KRWDZBQOSA-N 1 3 256.393 2.464 20 30 CEEDHO C#CCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374782294 374629924 /nfs/dbraw/zinc/62/99/24/374629924.db2.gz PGETVRVLKUKLQX-UHFFFAOYSA-N 1 3 257.381 2.253 20 30 CEEDHO C#CCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374782294 374629933 /nfs/dbraw/zinc/62/99/33/374629933.db2.gz PGETVRVLKUKLQX-UHFFFAOYSA-N 1 3 257.381 2.253 20 30 CEEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398166195 375346127 /nfs/dbraw/zinc/34/61/27/375346127.db2.gz MRWMPLKTXKJKSF-IIAWOOMASA-N 1 3 285.391 2.173 20 30 CEEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398166195 375346134 /nfs/dbraw/zinc/34/61/34/375346134.db2.gz MRWMPLKTXKJKSF-IIAWOOMASA-N 1 3 285.391 2.173 20 30 CEEDHO COc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786755 375969470 /nfs/dbraw/zinc/96/94/70/375969470.db2.gz UUKYRQUBRRQXBR-DLBZAZTESA-N 1 3 299.418 2.388 20 30 CEEDHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(C#N)o3)C2)CC1 ZINC000290324814 376733761 /nfs/dbraw/zinc/73/37/61/376733761.db2.gz DIKIMEYLIAVHHP-CQSZACIVSA-N 1 3 273.380 2.315 20 30 CEEDHO C=CCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441270108 377934398 /nfs/dbraw/zinc/93/43/98/377934398.db2.gz NTKQJVTYIAHXNG-QLFBSQMISA-N 1 3 252.402 2.136 20 30 CEEDHO C(#CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000472604392 380074430 /nfs/dbraw/zinc/07/44/30/380074430.db2.gz PIFNMSQREDLXFB-USTZCAOPSA-N 1 3 272.436 2.454 20 30 CEEDHO C(#CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000472604392 380074433 /nfs/dbraw/zinc/07/44/33/380074433.db2.gz PIFNMSQREDLXFB-USTZCAOPSA-N 1 3 272.436 2.454 20 30 CEEDHO CC[NH+](CC)CCOCCNCc1cccc(C#N)c1 ZINC000350320439 219009056 /nfs/dbraw/zinc/00/90/56/219009056.db2.gz QTRDSHUXABIRNC-UHFFFAOYSA-N 1 3 275.396 2.006 20 30 CEEDHO N#Cc1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000268954871 394703975 /nfs/dbraw/zinc/70/39/75/394703975.db2.gz FZPIXEQDQSGVDD-MSOLQXFVSA-N 1 3 299.418 2.026 20 30 CEEDHO N#Cc1ccccc1CSCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422989522 394874630 /nfs/dbraw/zinc/87/46/30/394874630.db2.gz MCPIITDHCPRENP-LSDHHAIUSA-N 1 3 275.421 2.261 20 30 CEEDHO C=CCOCCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339083189 394941471 /nfs/dbraw/zinc/94/14/71/394941471.db2.gz DHMXXLBWRGTQJR-HUUCEWRRSA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCOCCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339083189 394941476 /nfs/dbraw/zinc/94/14/76/394941476.db2.gz DHMXXLBWRGTQJR-HUUCEWRRSA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000339083189 394941481 /nfs/dbraw/zinc/94/14/81/394941481.db2.gz DHMXXLBWRGTQJR-HUUCEWRRSA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCOCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339083190 394942103 /nfs/dbraw/zinc/94/21/03/394942103.db2.gz DHMXXLBWRGTQJR-LSDHHAIUSA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCOCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000339083190 394942105 /nfs/dbraw/zinc/94/21/05/394942105.db2.gz DHMXXLBWRGTQJR-LSDHHAIUSA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCOCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000339083190 394942108 /nfs/dbraw/zinc/94/21/08/394942108.db2.gz DHMXXLBWRGTQJR-LSDHHAIUSA-N 1 3 266.429 2.432 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000289895312 395089875 /nfs/dbraw/zinc/08/98/75/395089875.db2.gz SUXIASWCZQZOFT-BRSBDYLESA-N 1 3 286.419 2.034 20 30 CEEDHO C#CCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000372375546 395040515 /nfs/dbraw/zinc/04/05/15/395040515.db2.gz VYJOCWCRMZMIEX-HOTGVXAUSA-N 1 3 278.440 2.221 20 30 CEEDHO CN1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000367598305 156212392 /nfs/dbraw/zinc/21/23/92/156212392.db2.gz DPENOAXGEZZTSN-SQNIBIBYSA-N 1 3 299.418 2.399 20 30 CEEDHO C[N@@H+]1CC[C@H](NCCOc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000367598305 156212395 /nfs/dbraw/zinc/21/23/95/156212395.db2.gz DPENOAXGEZZTSN-SQNIBIBYSA-N 1 3 299.418 2.399 20 30 CEEDHO C[N@H+]1CC[C@H](NCCOc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000367598305 156212397 /nfs/dbraw/zinc/21/23/97/156212397.db2.gz DPENOAXGEZZTSN-SQNIBIBYSA-N 1 3 299.418 2.399 20 30 CEEDHO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000665263251 415657238 /nfs/dbraw/zinc/65/72/38/415657238.db2.gz JGMRAKITSZAMIC-ARFHVFGLSA-N 1 3 266.429 2.480 20 30 CEEDHO COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)ccc1C#N ZINC000423128682 270844755 /nfs/dbraw/zinc/84/47/55/270844755.db2.gz WETNABZCVDGJIT-LSDHHAIUSA-N 1 3 273.380 2.316 20 30 CEEDHO C=C[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987831 330163059 /nfs/dbraw/zinc/16/30/59/330163059.db2.gz HLLYVCDDOFRMHJ-JGGQBBKZSA-N 1 3 258.365 2.406 20 30 CEEDHO N#CCCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033957 330166227 /nfs/dbraw/zinc/16/62/27/330166227.db2.gz PGRLFRDWYGGGLT-GOEBONIOSA-N 1 3 271.364 2.136 20 30 CEEDHO C=CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000423100756 330170145 /nfs/dbraw/zinc/17/01/45/330170145.db2.gz HISOPRPPDOHWJV-RRQGHBQHSA-N 1 3 290.407 2.093 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000424374036 330348276 /nfs/dbraw/zinc/34/82/76/330348276.db2.gz IOQOXJQOEVVFCR-UTSKFRMZSA-N 1 3 278.440 2.478 20 30 CEEDHO CC(C)N1CCN(CCC[NH+]2CCC(CC#N)CC2)CC1 ZINC000548849725 334176345 /nfs/dbraw/zinc/17/63/45/334176345.db2.gz OPZRZNITQQVVRM-UHFFFAOYSA-N 1 3 292.471 2.028 20 30 CEEDHO C#CCOc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000113320903 527105183 /nfs/dbraw/zinc/10/51/83/527105183.db2.gz NGZLBJVKLIBSQO-INIZCTEOSA-N 1 3 284.403 2.273 20 30 CEEDHO C#CCOc1ccc(C[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000113323913 527105390 /nfs/dbraw/zinc/10/53/90/527105390.db2.gz AKFFJVLHJGVEQH-INIZCTEOSA-N 1 3 272.392 2.130 20 30 CEEDHO CCN1CC[C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728711929 574468781 /nfs/dbraw/zinc/46/87/81/574468781.db2.gz RBCVMOBDQFMYPE-GDBMZVCRSA-N 1 3 287.407 2.409 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925654587 628361298 /nfs/dbraw/zinc/36/12/98/628361298.db2.gz GCXPYWYFQDQCBC-OWYFMNJBSA-N 1 3 278.440 2.334 20 30 CEEDHO CC(C)(CNC(=[NH2+])NC1CCCCC1)N1CCCCC1 ZINC000104155066 628382897 /nfs/dbraw/zinc/38/28/97/628382897.db2.gz FRNAZTISMDOOHV-UHFFFAOYSA-N 1 3 280.460 2.488 20 30 CEEDHO CC[C@H](C)N(C)CC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303981199 631096546 /nfs/dbraw/zinc/09/65/46/631096546.db2.gz OWPPUXAGMDYXSC-HNNXBMFYSA-N 1 3 290.455 2.424 20 30 CEEDHO N#CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000817918659 633777212 /nfs/dbraw/zinc/77/72/12/633777212.db2.gz MAWYIVVZLUHUPO-JKSUJKDBSA-N 1 3 273.380 2.339 20 30 CEEDHO N#Cc1ccc([C@H](O)C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000819278584 634126005 /nfs/dbraw/zinc/12/60/05/634126005.db2.gz RPROMNALVDUYKS-DAWZGUTISA-N 1 3 299.418 2.198 20 30 CEEDHO C=CCN(Cc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723919 635237360 /nfs/dbraw/zinc/23/73/60/635237360.db2.gz ZJVLUADLQCPGSH-QZTJIDSGSA-N 1 3 286.419 2.443 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000876538163 650311152 /nfs/dbraw/zinc/31/11/52/650311152.db2.gz MUIXCUHPZKDVLD-CABZTGNLSA-N 1 3 267.760 2.115 20 30 CEEDHO C=CC[C@H](C)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000878427490 651094072 /nfs/dbraw/zinc/09/40/72/651094072.db2.gz MINOOKAZXFMZQC-INIZCTEOSA-N 1 3 279.472 2.301 20 30 CEEDHO C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001002954590 642876797 /nfs/dbraw/zinc/87/67/97/642876797.db2.gz FGTSQAVWEVAMOR-INIZCTEOSA-N 1 3 293.455 2.018 20 30 CEEDHO C[C@@H]1CN(CCCSCC#N)CCN1c1cc[nH+]cc1 ZINC000880263368 651412535 /nfs/dbraw/zinc/41/25/35/651412535.db2.gz WZCXEVRTHGFIRR-CQSZACIVSA-N 1 3 290.436 2.239 20 30 CEEDHO C=CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@H]1CCCO1 ZINC000883224565 652405655 /nfs/dbraw/zinc/40/56/55/652405655.db2.gz OLAVOBIEPPHYPL-QLFBSQMISA-N 1 3 254.418 2.288 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655878 806511837 /nfs/dbraw/zinc/51/18/37/806511837.db2.gz RNPNUFUZUIRZQY-MRXNPFEDSA-N 1 3 295.471 2.119 20 30 CEEDHO N#Cc1ccccc1OCC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168363130 806748713 /nfs/dbraw/zinc/74/87/13/806748713.db2.gz UETLKUASNLCGLI-UHFFFAOYSA-N 1 3 299.418 2.401 20 30 CEEDHO C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001266816748 802918971 /nfs/dbraw/zinc/91/89/71/802918971.db2.gz ITODEXYSJSFLEL-CVEARBPZSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001267116899 803139967 /nfs/dbraw/zinc/13/99/67/803139967.db2.gz JIQJIYGQRXMYRI-HOTGVXAUSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267584044 803569778 /nfs/dbraw/zinc/56/97/78/803569778.db2.gz BGYNFAZUUHFAEG-HZPDHXFCSA-N 1 3 295.471 2.073 20 30 CEEDHO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001267584044 803569781 /nfs/dbraw/zinc/56/97/81/803569781.db2.gz BGYNFAZUUHFAEG-HZPDHXFCSA-N 1 3 295.471 2.073 20 30 CEEDHO C=C(C)CC[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCC1 ZINC001267817389 803752649 /nfs/dbraw/zinc/75/26/49/803752649.db2.gz ZETSJMFKHARKER-OAHLLOKOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001267964065 803856743 /nfs/dbraw/zinc/85/67/43/803856743.db2.gz ZYBUWABBWFXLKQ-XHSDSOJGSA-N 1 3 295.471 2.262 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001269402148 805154689 /nfs/dbraw/zinc/15/46/89/805154689.db2.gz JDHPGBROOIVHBO-HOTGVXAUSA-N 1 3 295.471 2.310 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001122297000 807641533 /nfs/dbraw/zinc/64/15/33/807641533.db2.gz WFPSMUOLWPFEPO-LSDHHAIUSA-N 1 3 283.460 2.262 20 30 CEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC001115734378 808724767 /nfs/dbraw/zinc/72/47/67/808724767.db2.gz KETVMKOCJUMHLM-HNNXBMFYSA-N 1 3 295.471 2.311 20 30 CEEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001172108210 815298075 /nfs/dbraw/zinc/29/80/75/815298075.db2.gz SEJJAMPKFHZCGT-XYYAHUGASA-N 1 3 292.814 2.456 20 30 CEEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001172108210 815298079 /nfs/dbraw/zinc/29/80/79/815298079.db2.gz SEJJAMPKFHZCGT-XYYAHUGASA-N 1 3 292.814 2.456 20 30 CEEDHO C#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169101490 811371965 /nfs/dbraw/zinc/37/19/65/811371965.db2.gz STAXHSRACMBIET-OSYLJGHBSA-N 1 3 254.377 2.383 20 30 CEEDHO CC[NH+](CC)CCN1CCN([C@H](C)CCCC#N)CC1 ZINC001172491715 815451787 /nfs/dbraw/zinc/45/17/87/815451787.db2.gz GTEZBAHPHHJGPL-MRXNPFEDSA-N 1 3 280.460 2.028 20 30 CEEDHO C=CC(=NCOC)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170453912 812500707 /nfs/dbraw/zinc/50/07/07/812500707.db2.gz QBOPLYZFDSUXBI-UHFFFAOYSA-N 1 3 267.417 2.416 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171358406 814659054 /nfs/dbraw/zinc/65/90/54/814659054.db2.gz GCPRMRCNHYGPHS-HOTGVXAUSA-N 1 3 297.487 2.413 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175108959 816133578 /nfs/dbraw/zinc/13/35/78/816133578.db2.gz XKUBQPUPDBJIKP-HZPDHXFCSA-N 1 3 297.487 2.413 20 30 CEEDHO C=CCNC(=O)[C@@H](C)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000066960875 343727982 /nfs/dbraw/zinc/72/79/82/343727982.db2.gz OVBSGLDCGDXORF-OAHLLOKOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCNC(=O)[C@@H](C)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960875 343727983 /nfs/dbraw/zinc/72/79/83/343727983.db2.gz OVBSGLDCGDXORF-OAHLLOKOSA-N 1 3 295.471 2.121 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000593736976 345530014 /nfs/dbraw/zinc/53/00/14/345530014.db2.gz PKIUGQVGLJUBGC-RCCFBDPRSA-N 1 3 299.418 2.277 20 30 CEEDHO C[C@H]1C[C@@H](CN2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581062 345650777 /nfs/dbraw/zinc/65/07/77/345650777.db2.gz JDJPCGDHZYTUPX-JSGCOSHPSA-N 1 3 255.365 2.262 20 30 CEEDHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)C[C@@H](C)CCC#N ZINC000602657981 347127815 /nfs/dbraw/zinc/12/78/15/347127815.db2.gz VSWGJRPUIOOLQF-IRXDYDNUSA-N 1 3 294.487 2.274 20 30 CEEDHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)C[C@@H](C)CCC#N ZINC000602657981 347127816 /nfs/dbraw/zinc/12/78/16/347127816.db2.gz VSWGJRPUIOOLQF-IRXDYDNUSA-N 1 3 294.487 2.274 20 30 CEEDHO N#Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000404815797 233194119 /nfs/dbraw/zinc/19/41/19/233194119.db2.gz BEBYTCRWHNOTDE-ZFWWWQNUSA-N 1 3 261.344 2.304 20 30 CEEDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069160334 362956057 /nfs/dbraw/zinc/95/60/57/362956057.db2.gz JKFYIKIOEYODMO-MRXNPFEDSA-N 1 3 257.381 2.380 20 30 CEEDHO C#CCOc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271874952 191382442 /nfs/dbraw/zinc/38/24/42/191382442.db2.gz YYXDXWGPGIXEPP-UHFFFAOYSA-N 1 3 270.376 2.050 20 30 CEEDHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1cccc(C#N)c1 ZINC000271887294 191389184 /nfs/dbraw/zinc/38/91/84/191389184.db2.gz QZPUQQATVWBPEG-ZDUSSCGKSA-N 1 3 255.365 2.471 20 30 CEEDHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC000271887294 191389187 /nfs/dbraw/zinc/38/91/87/191389187.db2.gz QZPUQQATVWBPEG-ZDUSSCGKSA-N 1 3 255.365 2.471 20 30 CEEDHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC000271887294 191389190 /nfs/dbraw/zinc/38/91/90/191389190.db2.gz QZPUQQATVWBPEG-ZDUSSCGKSA-N 1 3 255.365 2.471 20 30 CEEDHO COc1ccc(C[N@H+](C)CC2CCN(C)CC2)cc1C#N ZINC000087833397 363872557 /nfs/dbraw/zinc/87/25/57/363872557.db2.gz WDVAYOVPADHDOR-UHFFFAOYSA-N 1 3 287.407 2.340 20 30 CEEDHO COc1ccc(C[N@@H+](C)CC2CCN(C)CC2)cc1C#N ZINC000087833397 363872562 /nfs/dbraw/zinc/87/25/62/363872562.db2.gz WDVAYOVPADHDOR-UHFFFAOYSA-N 1 3 287.407 2.340 20 30 CEEDHO N#Cc1csc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000093492338 364192116 /nfs/dbraw/zinc/19/21/16/364192116.db2.gz VRCJNUVTECRNPJ-NSHDSACASA-N 1 3 261.394 2.194 20 30 CEEDHO CN(CCCC#N)[C@@H]1CCC[N@H+](CCCC#N)CC1 ZINC000156990735 366840228 /nfs/dbraw/zinc/84/02/28/366840228.db2.gz QUSXEDVONRXZEG-OAHLLOKOSA-N 1 3 262.401 2.380 20 30 CEEDHO CN(CCCC#N)[C@@H]1CCC[N@@H+](CCCC#N)CC1 ZINC000156990735 366840232 /nfs/dbraw/zinc/84/02/32/366840232.db2.gz QUSXEDVONRXZEG-OAHLLOKOSA-N 1 3 262.401 2.380 20 30 CEEDHO N#Cc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000336129629 365451030 /nfs/dbraw/zinc/45/10/30/365451030.db2.gz ZJVPULDPFGOIIL-UHFFFAOYSA-N 1 3 255.365 2.134 20 30 CEEDHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000121100861 365523665 /nfs/dbraw/zinc/52/36/65/365523665.db2.gz ZVLLJIRMYQRSLK-AWEZNQCLSA-N 1 3 275.371 2.471 20 30 CEEDHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000121100861 365523668 /nfs/dbraw/zinc/52/36/68/365523668.db2.gz ZVLLJIRMYQRSLK-AWEZNQCLSA-N 1 3 275.371 2.471 20 30 CEEDHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(C)C#N ZINC000357826500 370830934 /nfs/dbraw/zinc/83/09/34/370830934.db2.gz LMNOHJZQIRROBU-ZDUSSCGKSA-N 1 3 273.380 2.303 20 30 CEEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(C)C#N ZINC000357826500 370830938 /nfs/dbraw/zinc/83/09/38/370830938.db2.gz LMNOHJZQIRROBU-ZDUSSCGKSA-N 1 3 273.380 2.303 20 30 CEEDHO C=C(CC)C[N@H+](CCC)CCN1CCN(CC)CC1 ZINC000344127314 368110233 /nfs/dbraw/zinc/11/02/33/368110233.db2.gz JSUIIRTVFIOZTA-UHFFFAOYSA-N 1 3 267.461 2.302 20 30 CEEDHO C=C(CC)C[N@@H+](CCC)CCN1CCN(CC)CC1 ZINC000344127314 368110240 /nfs/dbraw/zinc/11/02/40/368110240.db2.gz JSUIIRTVFIOZTA-UHFFFAOYSA-N 1 3 267.461 2.302 20 30 CEEDHO C=CCOc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346694232 368775925 /nfs/dbraw/zinc/77/59/25/368775925.db2.gz SUHIXZLLOSSJHB-DZGCQCFKSA-N 1 3 260.381 2.421 20 30 CEEDHO C=CCOc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346694235 368777264 /nfs/dbraw/zinc/77/72/64/368777264.db2.gz SUHIXZLLOSSJHB-ZFWWWQNUSA-N 1 3 260.381 2.421 20 30 CEEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000635020881 369058129 /nfs/dbraw/zinc/05/81/29/369058129.db2.gz NEDCWYOIXSUVAF-MGPQQGTHSA-N 1 3 254.418 2.321 20 30 CEEDHO CC(C)CCNC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000264116592 371971627 /nfs/dbraw/zinc/97/16/27/371971627.db2.gz SYCBDBWWMQJCQN-UHFFFAOYSA-N 1 3 276.428 2.199 20 30 CEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(C)C#N ZINC000431550756 377651126 /nfs/dbraw/zinc/65/11/26/377651126.db2.gz PVAGZUBMPITGFC-RDBSUJKOSA-N 1 3 265.401 2.163 20 30 CEEDHO C=CCCCC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000449165644 378198301 /nfs/dbraw/zinc/19/83/01/378198301.db2.gz WUMNLARINMUIJK-CQSZACIVSA-N 1 3 254.418 2.168 20 30 CEEDHO COc1cc(C#N)ccc1CN1CCC(C[NH+](C)C)CC1 ZINC000347283680 218178740 /nfs/dbraw/zinc/17/87/40/218178740.db2.gz RTUBMZMTAZKGTB-UHFFFAOYSA-N 1 3 287.407 2.340 20 30 CEEDHO CC(C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000334468256 394688743 /nfs/dbraw/zinc/68/87/43/394688743.db2.gz FVURQDWNONWEFN-QAPCUYQASA-N 1 3 297.402 2.271 20 30 CEEDHO CC(C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000334468256 394688745 /nfs/dbraw/zinc/68/87/45/394688745.db2.gz FVURQDWNONWEFN-QAPCUYQASA-N 1 3 297.402 2.271 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000152987791 394999782 /nfs/dbraw/zinc/99/97/82/394999782.db2.gz UJXJPQWECWHXIS-BFYDXBDKSA-N 1 3 279.472 2.345 20 30 CEEDHO C#Cc1ccc(CNC[C@H](CC[NH+](C)C)OCC)cc1 ZINC000290413544 395102396 /nfs/dbraw/zinc/10/23/96/395102396.db2.gz QGVGBMVAFIXNGP-KRWDZBQOSA-N 1 3 274.408 2.114 20 30 CEEDHO CCN1CC[C@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443968543 395408448 /nfs/dbraw/zinc/40/84/48/395408448.db2.gz FHQDAQVADMZXRX-OAHLLOKOSA-N 1 3 257.381 2.298 20 30 CEEDHO C=CC[N@@H+](CCCN1CCCCC1)[C@H](C)COC ZINC000661239335 415150727 /nfs/dbraw/zinc/15/07/27/415150727.db2.gz FVUWVUWZJRHVKG-OAHLLOKOSA-N 1 3 254.418 2.385 20 30 CEEDHO C=CC[N@H+](CCCN1CCCCC1)[C@H](C)COC ZINC000661239335 415150732 /nfs/dbraw/zinc/15/07/32/415150732.db2.gz FVUWVUWZJRHVKG-OAHLLOKOSA-N 1 3 254.418 2.385 20 30 CEEDHO C=CCN(Cc1cccc2c1CC[NH2+]C2)[C@H](C)COC ZINC000662299709 415763062 /nfs/dbraw/zinc/76/30/62/415763062.db2.gz VUEUMGMGMNMBPJ-CQSZACIVSA-N 1 3 274.408 2.355 20 30 CEEDHO C=CC[C@]1(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000662710188 415937581 /nfs/dbraw/zinc/93/75/81/415937581.db2.gz FMWKXPYVLKNUKE-YQQAZPJKSA-N 1 3 293.455 2.064 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000334675058 225244641 /nfs/dbraw/zinc/24/46/41/225244641.db2.gz MVABLRVGBBFMPR-HUUCEWRRSA-N 1 3 277.412 2.261 20 30 CEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000333346367 228197905 /nfs/dbraw/zinc/19/79/05/228197905.db2.gz USDYVKSCSAQTQA-XBVQOTNRSA-N 1 3 291.439 2.036 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000171566001 329077553 /nfs/dbraw/zinc/07/75/53/329077553.db2.gz LHHMVVBPSJEBPA-ZNMIVQPWSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000171566001 329077554 /nfs/dbraw/zinc/07/75/54/329077554.db2.gz LHHMVVBPSJEBPA-ZNMIVQPWSA-N 1 3 293.455 2.014 20 30 CEEDHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185777308 329331542 /nfs/dbraw/zinc/33/15/42/329331542.db2.gz FPCIZMCQNYFEIM-DLBZAZTESA-N 1 3 292.471 2.076 20 30 CEEDHO C=CCN1CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422860712 330157930 /nfs/dbraw/zinc/15/79/30/330157930.db2.gz MTGIENDYWYLTTG-QAPCUYQASA-N 1 3 287.451 2.185 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000424335949 330343408 /nfs/dbraw/zinc/34/34/08/330343408.db2.gz XDSKYPYBZBHPGY-YYIAUSFCSA-N 1 3 293.455 2.405 20 30 CEEDHO CCOCCC[N@H+]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000424335949 330343409 /nfs/dbraw/zinc/34/34/09/330343409.db2.gz XDSKYPYBZBHPGY-YYIAUSFCSA-N 1 3 293.455 2.405 20 30 CEEDHO C[N@H+](Cc1ccccc1)CC(C)(C)C=Nn1cnnc1 ZINC000747624417 575172738 /nfs/dbraw/zinc/17/27/38/575172738.db2.gz MXKXCVJIPRLPSS-UHFFFAOYSA-N 1 3 271.368 2.270 20 30 CEEDHO C[N@@H+](Cc1ccccc1)CC(C)(C)C=Nn1cnnc1 ZINC000747624417 575172739 /nfs/dbraw/zinc/17/27/39/575172739.db2.gz MXKXCVJIPRLPSS-UHFFFAOYSA-N 1 3 271.368 2.270 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[C@H](C)[NH+](C)C ZINC000895292227 630083089 /nfs/dbraw/zinc/08/30/89/630083089.db2.gz NPLDUARTCUNZAP-KBPBESRZSA-N 1 3 267.417 2.015 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)N(C)C ZINC000895292227 630083093 /nfs/dbraw/zinc/08/30/93/630083093.db2.gz NPLDUARTCUNZAP-KBPBESRZSA-N 1 3 267.417 2.015 20 30 CEEDHO C=C(C)CN1CCC(NC(NC2CCC2)=[NH+]CC)CC1 ZINC000262808617 631232460 /nfs/dbraw/zinc/23/24/60/631232460.db2.gz UHKJJJRYQFJLTL-UHFFFAOYSA-N 1 3 278.444 2.135 20 30 CEEDHO C=C(C)C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903218549 635020442 /nfs/dbraw/zinc/02/04/42/635020442.db2.gz DFJOVIXZENCBJI-XLQNHZQQSA-N 1 3 264.413 2.061 20 30 CEEDHO C=C(C)C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903218549 635020445 /nfs/dbraw/zinc/02/04/45/635020445.db2.gz DFJOVIXZENCBJI-XLQNHZQQSA-N 1 3 264.413 2.061 20 30 CEEDHO N#CC1CCC(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000903479350 635148063 /nfs/dbraw/zinc/14/80/63/635148063.db2.gz UQQJZUOWXYHKFG-TUUUFIMRSA-N 1 3 289.345 2.385 20 30 CEEDHO C#CC1CCN(CC(C)C[NH+]2CCC(C#C)CC2)CC1 ZINC000830343186 637042050 /nfs/dbraw/zinc/04/20/50/637042050.db2.gz OHLFZXNAWYSYJG-UHFFFAOYSA-N 1 3 272.436 2.313 20 30 CEEDHO C#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000834903818 637982442 /nfs/dbraw/zinc/98/24/42/637982442.db2.gz STAXHSRACMBIET-ALOPSCKCSA-N 1 3 254.377 2.383 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911737622 638386911 /nfs/dbraw/zinc/38/69/11/638386911.db2.gz XEFDGALQZJQPIB-CABCVRRESA-N 1 3 283.460 2.275 20 30 CEEDHO C[C@H]1CCN(CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849004145 642221281 /nfs/dbraw/zinc/22/12/81/642221281.db2.gz BUVSVQDPVMOPNI-HNNXBMFYSA-N 1 3 288.439 2.036 20 30 CEEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000997367215 642242973 /nfs/dbraw/zinc/24/29/73/642242973.db2.gz XRELCUNSLUHACY-MRXNPFEDSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCN1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011664 642890157 /nfs/dbraw/zinc/89/01/57/642890157.db2.gz PSRLYBCJUACLAK-INIZCTEOSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCN1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003011664 642890167 /nfs/dbraw/zinc/89/01/67/642890167.db2.gz PSRLYBCJUACLAK-INIZCTEOSA-N 1 3 293.455 2.016 20 30 CEEDHO C#CC[C@H](CO)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000883125089 652369944 /nfs/dbraw/zinc/36/99/44/652369944.db2.gz YOWSNWXXEYSIIA-BPQIPLTHSA-N 1 3 286.419 2.013 20 30 CEEDHO C#CC[C@H](CO)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000883125089 652369946 /nfs/dbraw/zinc/36/99/46/652369946.db2.gz YOWSNWXXEYSIIA-BPQIPLTHSA-N 1 3 286.419 2.013 20 30 CEEDHO C=CCC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@H]1CCCO1 ZINC000883224566 652405520 /nfs/dbraw/zinc/40/55/20/652405520.db2.gz OLAVOBIEPPHYPL-SOUVJXGZSA-N 1 3 254.418 2.288 20 30 CEEDHO C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001267929451 803827334 /nfs/dbraw/zinc/82/73/34/803827334.db2.gz KZPDQIJAIWXNPC-JYJNAYRXSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001272777410 808654881 /nfs/dbraw/zinc/65/48/81/808654881.db2.gz HSDASRMSIFZCSB-JYJNAYRXSA-N 1 3 295.471 2.023 20 30 CEEDHO COCCC[NH+]1CCC(N2CCC(CC#N)CC2)CC1 ZINC001172256439 815360434 /nfs/dbraw/zinc/36/04/34/815360434.db2.gz WMDOFIGECQHAQQ-UHFFFAOYSA-N 1 3 279.428 2.113 20 30 CEEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001172304581 815362890 /nfs/dbraw/zinc/36/28/90/815362890.db2.gz OFCYRNJVSQUMBG-QGTPRVQTSA-N 1 3 283.419 2.373 20 30 CEEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001172304581 815362896 /nfs/dbraw/zinc/36/28/96/815362896.db2.gz OFCYRNJVSQUMBG-QGTPRVQTSA-N 1 3 283.419 2.373 20 30 CEEDHO CC[NH+](CC)CCN1CCN([C@@H](C)CCCC#N)CC1 ZINC001172491713 815451674 /nfs/dbraw/zinc/45/16/74/815451674.db2.gz GTEZBAHPHHJGPL-INIZCTEOSA-N 1 3 280.460 2.028 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001044630709 811517032 /nfs/dbraw/zinc/51/70/32/811517032.db2.gz YHFALZOKJZGSCC-CABCVRRESA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052378166 812984426 /nfs/dbraw/zinc/98/44/26/812984426.db2.gz SNHRVWOGOMWGLU-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052378166 812984430 /nfs/dbraw/zinc/98/44/30/812984430.db2.gz SNHRVWOGOMWGLU-CVEARBPZSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031770 813589815 /nfs/dbraw/zinc/58/98/15/813589815.db2.gz PUDNCQKAIVBBMH-CHWSQXEVSA-N 1 3 292.427 2.100 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175106449 816132018 /nfs/dbraw/zinc/13/20/18/816132018.db2.gz GCPRMRCNHYGPHS-HZPDHXFCSA-N 1 3 297.487 2.413 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175255811 816163690 /nfs/dbraw/zinc/16/36/90/816163690.db2.gz HIGGFUCUWCIQDF-HZPDHXFCSA-N 1 3 295.471 2.311 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580925 816885424 /nfs/dbraw/zinc/88/54/24/816885424.db2.gz WJQBLYOHERUOKZ-MRXNPFEDSA-N 1 3 295.471 2.313 20 30 CEEDHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000333221427 136385604 /nfs/dbraw/zinc/38/56/04/136385604.db2.gz ACARPIAGMMJVJF-KBXCAEBGSA-N 1 3 298.434 2.115 20 30 CEEDHO C=CCC[C@@H](O)CN(C)C1CC[NH+](CCC)CC1 ZINC000128544669 365794239 /nfs/dbraw/zinc/79/42/39/365794239.db2.gz QKQPZKAQZAEKIF-OAHLLOKOSA-N 1 3 254.418 2.120 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000602512997 347062969 /nfs/dbraw/zinc/06/29/69/347062969.db2.gz YUEDWBGMWVJYFN-LSDHHAIUSA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000602512997 347062974 /nfs/dbraw/zinc/06/29/74/347062974.db2.gz YUEDWBGMWVJYFN-LSDHHAIUSA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@@H](CN[C@@H](C)CC1(C#N)CCOCC1)C[NH+]1CCCC1 ZINC000602518352 347064786 /nfs/dbraw/zinc/06/47/86/347064786.db2.gz QFLFNGZNWIXTLE-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)CN1CCCC1 ZINC000602518352 347064787 /nfs/dbraw/zinc/06/47/87/347064787.db2.gz QFLFNGZNWIXTLE-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533038 347068558 /nfs/dbraw/zinc/06/85/58/347068558.db2.gz YMUISWNGYYBNNO-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533038 347068560 /nfs/dbraw/zinc/06/85/60/347068560.db2.gz YMUISWNGYYBNNO-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602533038 347068563 /nfs/dbraw/zinc/06/85/63/347068563.db2.gz YMUISWNGYYBNNO-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO N#Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000591573261 345265406 /nfs/dbraw/zinc/26/54/06/345265406.db2.gz CEOBJZYSGQZART-OCCSQVGLSA-N 1 3 263.772 2.429 20 30 CEEDHO N#CC1(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000594740521 345683145 /nfs/dbraw/zinc/68/31/45/345683145.db2.gz YQKPAOZWULPXFM-QLFBSQMISA-N 1 3 261.413 2.438 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[NH+]1CCCC1 ZINC000602593892 347092416 /nfs/dbraw/zinc/09/24/16/347092416.db2.gz QDJSLFNDWMPVAZ-HNNXBMFYSA-N 1 3 279.428 2.161 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCCC1 ZINC000602593892 347092419 /nfs/dbraw/zinc/09/24/19/347092419.db2.gz QDJSLFNDWMPVAZ-HNNXBMFYSA-N 1 3 279.428 2.161 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000602724035 347171837 /nfs/dbraw/zinc/17/18/37/347171837.db2.gz PMHLKAXHOOGKQQ-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000602724035 347171842 /nfs/dbraw/zinc/17/18/42/347171842.db2.gz PMHLKAXHOOGKQQ-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000602724035 347171845 /nfs/dbraw/zinc/17/18/45/347171845.db2.gz PMHLKAXHOOGKQQ-HOTGVXAUSA-N 1 3 293.455 2.407 20 30 CEEDHO C#CC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000306682625 539800506 /nfs/dbraw/zinc/80/05/06/539800506.db2.gz RWXBEDFMNLAQMR-SJORKVTESA-N 1 3 254.377 2.074 20 30 CEEDHO C#CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000306682625 539800510 /nfs/dbraw/zinc/80/05/10/539800510.db2.gz RWXBEDFMNLAQMR-SJORKVTESA-N 1 3 254.377 2.074 20 30 CEEDHO CN(C)C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156390922 188259029 /nfs/dbraw/zinc/25/90/29/188259029.db2.gz NZHYPXCEEFLYBR-INIZCTEOSA-N 1 3 287.407 2.211 20 30 CEEDHO CN(C)C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156390922 188259030 /nfs/dbraw/zinc/25/90/30/188259030.db2.gz NZHYPXCEEFLYBR-INIZCTEOSA-N 1 3 287.407 2.211 20 30 CEEDHO CCN1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000173364026 367902204 /nfs/dbraw/zinc/90/22/04/367902204.db2.gz CDNWDNHRAKJPEI-CZUORRHYSA-N 1 3 257.381 2.378 20 30 CEEDHO C=CCCC[N@@H+](CCC)CCN1CCN(CC)CC1 ZINC000344174507 368112332 /nfs/dbraw/zinc/11/23/32/368112332.db2.gz QNHAJECJPVZHRM-UHFFFAOYSA-N 1 3 267.461 2.302 20 30 CEEDHO C=CCCC[N@H+](CCC)CCN1CCN(CC)CC1 ZINC000344174507 368112336 /nfs/dbraw/zinc/11/23/36/368112336.db2.gz QNHAJECJPVZHRM-UHFFFAOYSA-N 1 3 267.461 2.302 20 30 CEEDHO C=CCCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000367614753 373168025 /nfs/dbraw/zinc/16/80/25/373168025.db2.gz IFHVFCXADBWIRJ-RBSFLKMASA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCCOCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367614753 373168029 /nfs/dbraw/zinc/16/80/29/373168029.db2.gz IFHVFCXADBWIRJ-RBSFLKMASA-N 1 3 252.402 2.042 20 30 CEEDHO C=CCCOCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367614753 373168036 /nfs/dbraw/zinc/16/80/36/373168036.db2.gz IFHVFCXADBWIRJ-RBSFLKMASA-N 1 3 252.402 2.042 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379720530 375156376 /nfs/dbraw/zinc/15/63/76/375156376.db2.gz ZATSMANWZBLEDG-YCPHGPKFSA-N 1 3 285.391 2.315 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379720530 375156383 /nfs/dbraw/zinc/15/63/83/375156383.db2.gz ZATSMANWZBLEDG-YCPHGPKFSA-N 1 3 285.391 2.315 20 30 CEEDHO N#Cc1cccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423099308 376993735 /nfs/dbraw/zinc/99/37/35/376993735.db2.gz LXZNQAIHIHKSBS-HZPDHXFCSA-N 1 3 257.381 2.350 20 30 CEEDHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CN(C)C ZINC000293753081 377740666 /nfs/dbraw/zinc/74/06/66/377740666.db2.gz ROGQPAJJKOJJOW-KBPBESRZSA-N 1 3 275.396 2.437 20 30 CEEDHO C=CCN(C[C@@H](O)C[N@@H+](C)CC)CC1CCCCC1 ZINC000566686342 377765535 /nfs/dbraw/zinc/76/55/35/377765535.db2.gz KFRVMCANUZYYNB-INIZCTEOSA-N 1 3 268.445 2.367 20 30 CEEDHO C=CCN(C[C@@H](O)C[N@H+](C)CC)CC1CCCCC1 ZINC000566686342 377765541 /nfs/dbraw/zinc/76/55/41/377765541.db2.gz KFRVMCANUZYYNB-INIZCTEOSA-N 1 3 268.445 2.367 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437838808 377868385 /nfs/dbraw/zinc/86/83/85/377868385.db2.gz LSBLEPQWSQTDSA-TZMCWYRMSA-N 1 3 263.385 2.059 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437838808 377868392 /nfs/dbraw/zinc/86/83/92/377868392.db2.gz LSBLEPQWSQTDSA-TZMCWYRMSA-N 1 3 263.385 2.059 20 30 CEEDHO C[C@H]1CNCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000332399908 394637617 /nfs/dbraw/zinc/63/76/17/394637617.db2.gz VALDELMZLDMRDY-KBXCAEBGSA-N 1 3 298.434 2.115 20 30 CEEDHO C=CCOCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338954350 394934623 /nfs/dbraw/zinc/93/46/23/394934623.db2.gz NUEDAZPPZSYJTA-IYBDPMFKSA-N 1 3 296.455 2.010 20 30 CEEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C#N)c(C)c1 ZINC000443983574 267155360 /nfs/dbraw/zinc/15/53/60/267155360.db2.gz DQCGWUISVQHWMY-QGZVFWFLSA-N 1 3 289.423 2.313 20 30 CEEDHO C=CCCC[NH+]1CCC(N2CCN(CCC)CC2)CC1 ZINC000369403901 267240202 /nfs/dbraw/zinc/24/02/02/267240202.db2.gz NQSYVQLNLJDTRD-UHFFFAOYSA-N 1 3 279.472 2.445 20 30 CEEDHO CC(C#N)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573497540 327186748 /nfs/dbraw/zinc/18/67/48/327186748.db2.gz UOWISWWTTGIRJA-DGCLKSJQSA-N 1 3 293.798 2.261 20 30 CEEDHO C=CCCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261570919 327353672 /nfs/dbraw/zinc/35/36/72/327353672.db2.gz PUHGGABHSRXDEO-BZUAXINKSA-N 1 3 266.429 2.480 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000424383808 330349584 /nfs/dbraw/zinc/34/95/84/330349584.db2.gz UKRDIAWQIIXDCS-MWNCTCPHSA-N 1 3 258.365 2.312 20 30 CEEDHO N#C[C@@H]1CC[C@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000429699387 330552492 /nfs/dbraw/zinc/55/24/92/330552492.db2.gz PYRJAQRSSHYPGJ-CVEARBPZSA-N 1 3 291.439 2.255 20 30 CEEDHO N#C[C@H]1CC[C@@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000429699394 330552662 /nfs/dbraw/zinc/55/26/62/330552662.db2.gz PYRJAQRSSHYPGJ-JKSUJKDBSA-N 1 3 291.439 2.255 20 30 CEEDHO CC(C)(CNC(=[NH2+])N1CCCCC1)N1CCCCC1 ZINC000303776692 629116974 /nfs/dbraw/zinc/11/69/74/629116974.db2.gz HZTKCHRURVXYGX-UHFFFAOYSA-N 1 3 266.433 2.052 20 30 CEEDHO C[C@H](C#N)OCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801937810 631362122 /nfs/dbraw/zinc/36/21/22/631362122.db2.gz AKGKKTHSYQBTAO-ILXRZTDVSA-N 1 3 279.428 2.158 20 30 CEEDHO C[C@H](C#N)OCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000801937810 631362129 /nfs/dbraw/zinc/36/21/29/631362129.db2.gz AKGKKTHSYQBTAO-ILXRZTDVSA-N 1 3 279.428 2.158 20 30 CEEDHO CC[NH+]=C(NCCNC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000086821768 632264023 /nfs/dbraw/zinc/26/40/23/632264023.db2.gz GMZSDGKYMNYIRU-CYBMUJFWSA-N 1 3 268.449 2.072 20 30 CEEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000817960028 633802791 /nfs/dbraw/zinc/80/27/91/633802791.db2.gz WOVQRCSOCSSVEV-XJKSGUPXSA-N 1 3 260.381 2.333 20 30 CEEDHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902945187 634897562 /nfs/dbraw/zinc/89/75/62/634897562.db2.gz RIFSYCXYYRGSJF-ZDUSSCGKSA-N 1 3 272.396 2.336 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000911840309 638431663 /nfs/dbraw/zinc/43/16/63/638431663.db2.gz IIPJXSFDSRUCFM-OAHLLOKOSA-N 1 3 281.444 2.099 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911817268 638432967 /nfs/dbraw/zinc/43/29/67/638432967.db2.gz GBYOKSACZQXSFS-ILXRZTDVSA-N 1 3 283.460 2.260 20 30 CEEDHO C=CCCOCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000231801632 639879226 /nfs/dbraw/zinc/87/92/26/639879226.db2.gz PXRIETILPIZNRX-CABCVRRESA-N 1 3 254.418 2.480 20 30 CEEDHO C=CCC[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003423263 642934267 /nfs/dbraw/zinc/93/42/67/642934267.db2.gz CRJCCFZGFSTRFP-UHFFFAOYSA-N 1 3 293.455 2.018 20 30 CEEDHO C#CCCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000766900476 645934697 /nfs/dbraw/zinc/93/46/97/645934697.db2.gz KQACVWRHENEJPI-UHFFFAOYSA-N 1 3 299.462 2.149 20 30 CEEDHO C#CCCCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000766900476 645934699 /nfs/dbraw/zinc/93/46/99/645934699.db2.gz KQACVWRHENEJPI-UHFFFAOYSA-N 1 3 299.462 2.149 20 30 CEEDHO C#CC[C@H](CO)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000883125090 652369883 /nfs/dbraw/zinc/36/98/83/652369883.db2.gz YOWSNWXXEYSIIA-CGTJXYLNSA-N 1 3 286.419 2.013 20 30 CEEDHO C#CC[C@H](CO)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000883125090 652369886 /nfs/dbraw/zinc/36/98/86/652369886.db2.gz YOWSNWXXEYSIIA-CGTJXYLNSA-N 1 3 286.419 2.013 20 30 CEEDHO C#CC[C@H](CO)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000883125091 652370268 /nfs/dbraw/zinc/37/02/68/652370268.db2.gz YOWSNWXXEYSIIA-KBAYOESNSA-N 1 3 286.419 2.013 20 30 CEEDHO C#CC[C@H](CO)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000883125091 652370269 /nfs/dbraw/zinc/37/02/69/652370269.db2.gz YOWSNWXXEYSIIA-KBAYOESNSA-N 1 3 286.419 2.013 20 30 CEEDHO C=C(C)C[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001271901585 806135720 /nfs/dbraw/zinc/13/57/20/806135720.db2.gz OLQMONJZHHAIEH-OAHLLOKOSA-N 1 3 297.487 2.271 20 30 CEEDHO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001268000356 803901642 /nfs/dbraw/zinc/90/16/42/803901642.db2.gz YRKCHHMOBMYZOO-OAHLLOKOSA-N 1 3 295.471 2.169 20 30 CEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027917578 804340627 /nfs/dbraw/zinc/34/06/27/804340627.db2.gz CDGGDGDDQMAPRJ-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027917578 804340636 /nfs/dbraw/zinc/34/06/36/804340636.db2.gz CDGGDGDDQMAPRJ-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C1CCCC1 ZINC001270415283 805434090 /nfs/dbraw/zinc/43/40/90/805434090.db2.gz SCBRYFZJONJJES-JKSUJKDBSA-N 1 3 295.471 2.167 20 30 CEEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001172108209 815299133 /nfs/dbraw/zinc/29/91/33/815299133.db2.gz SEJJAMPKFHZCGT-CLLJXQQHSA-N 1 3 292.814 2.456 20 30 CEEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001172108209 815299136 /nfs/dbraw/zinc/29/91/36/815299136.db2.gz SEJJAMPKFHZCGT-CLLJXQQHSA-N 1 3 292.814 2.456 20 30 CEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110014688 811983372 /nfs/dbraw/zinc/98/33/72/811983372.db2.gz DNFWUYLTTWYNRX-PMPSAXMXSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110014688 811983376 /nfs/dbraw/zinc/98/33/76/811983376.db2.gz DNFWUYLTTWYNRX-PMPSAXMXSA-N 1 3 293.455 2.016 20 30 CEEDHO N#CC1(c2ccccc2)CCC([NH2+]C2CC(N)C2)CC1 ZINC001170365290 812394485 /nfs/dbraw/zinc/39/44/85/812394485.db2.gz UNKCJQLXOXFRFX-UHFFFAOYSA-N 1 3 269.392 2.470 20 30 CEEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435387 812850611 /nfs/dbraw/zinc/85/06/11/812850611.db2.gz CKNXRBWBINOMKO-JKSUJKDBSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435387 812850618 /nfs/dbraw/zinc/85/06/18/812850618.db2.gz CKNXRBWBINOMKO-JKSUJKDBSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100901645 814202650 /nfs/dbraw/zinc/20/26/50/814202650.db2.gz GNRFEWQUGAKYAY-QQFBHYJXSA-N 1 3 295.471 2.167 20 30 CEEDHO CC[C@H](C)[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)N[O-] ZINC001173108231 815582228 /nfs/dbraw/zinc/58/22/28/815582228.db2.gz GVZUFFPAHSTVEV-PPWQZUPISA-N 1 3 299.459 2.149 20 30 CEEDHO CC(C)N1CCN(CC[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173330077 815677213 /nfs/dbraw/zinc/67/72/13/815677213.db2.gz SAMWPZMNGZBGPJ-UHFFFAOYSA-N 1 3 292.471 2.074 20 30 CEEDHO CCc1cc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)ccc1C#N ZINC001206212588 815797657 /nfs/dbraw/zinc/79/76/57/815797657.db2.gz SAMVCQJENNUDQM-JKSUJKDBSA-N 1 3 275.371 2.382 20 30 CEEDHO CCc1cc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)ccc1C#N ZINC001206212588 815797662 /nfs/dbraw/zinc/79/76/62/815797662.db2.gz SAMVCQJENNUDQM-JKSUJKDBSA-N 1 3 275.371 2.382 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256773 816163138 /nfs/dbraw/zinc/16/31/38/816163138.db2.gz OJDPQCVBWDWPQC-HZPDHXFCSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCCCCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971526 816501707 /nfs/dbraw/zinc/50/17/07/816501707.db2.gz BRCSVVVIQBXSNF-UHFFFAOYSA-N 1 3 283.460 2.169 20 30 CEEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128323144 365784603 /nfs/dbraw/zinc/78/46/03/365784603.db2.gz MYSRWPYMMKCHLM-JKSUJKDBSA-N 1 3 267.461 2.204 20 30 CEEDHO CCCNC(=[NH2+])NCC[C@@H](C)N(C)Cc1ccccc1 ZINC000083052618 344074533 /nfs/dbraw/zinc/07/45/33/344074533.db2.gz IMUZHLHNCYOTTC-CQSZACIVSA-N 1 3 276.428 2.211 20 30 CEEDHO N#Cc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252847249 344641774 /nfs/dbraw/zinc/64/17/74/344641774.db2.gz FXYZIXCOGHJHRE-JYJNAYRXSA-N 1 3 255.365 2.117 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000591578158 345265978 /nfs/dbraw/zinc/26/59/78/345265978.db2.gz BWUXMRNMJUDLCY-HZPDHXFCSA-N 1 3 255.365 2.263 20 30 CEEDHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598724129 346408574 /nfs/dbraw/zinc/40/85/74/346408574.db2.gz IPTOIKMCKINVBZ-HZPDHXFCSA-N 1 3 295.471 2.245 20 30 CEEDHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598724129 346408575 /nfs/dbraw/zinc/40/85/75/346408575.db2.gz IPTOIKMCKINVBZ-HZPDHXFCSA-N 1 3 295.471 2.245 20 30 CEEDHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598724129 346408577 /nfs/dbraw/zinc/40/85/77/346408577.db2.gz IPTOIKMCKINVBZ-HZPDHXFCSA-N 1 3 295.471 2.245 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000602724039 347171623 /nfs/dbraw/zinc/17/16/23/347171623.db2.gz PMHLKAXHOOGKQQ-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000602724039 347171626 /nfs/dbraw/zinc/17/16/26/347171626.db2.gz PMHLKAXHOOGKQQ-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000602724039 347171630 /nfs/dbraw/zinc/17/16/30/347171630.db2.gz PMHLKAXHOOGKQQ-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO CC(C#N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000337633824 366166269 /nfs/dbraw/zinc/16/62/69/366166269.db2.gz XDLCYPNMOLBYCV-CQSZACIVSA-N 1 3 277.412 2.261 20 30 CEEDHO C=CCOc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346678715 368765853 /nfs/dbraw/zinc/76/58/53/368765853.db2.gz LSVHLNBSFYSPQJ-UKRRQHHQSA-N 1 3 260.381 2.421 20 30 CEEDHO C=CCOc1cccc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000346690733 368772874 /nfs/dbraw/zinc/77/28/74/368772874.db2.gz UQUBAHPXYQPMSJ-UKRRQHHQSA-N 1 3 260.381 2.421 20 30 CEEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000635020880 369057650 /nfs/dbraw/zinc/05/76/50/369057650.db2.gz NEDCWYOIXSUVAF-MELADBBJSA-N 1 3 254.418 2.321 20 30 CEEDHO CC[C@H](C)NC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000264090604 371967530 /nfs/dbraw/zinc/96/75/30/371967530.db2.gz KVQYHWCLDKHGRS-AWEZNQCLSA-N 1 3 288.439 2.138 20 30 CEEDHO C=CCC[C@H](CC)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442879887 378013296 /nfs/dbraw/zinc/01/32/96/378013296.db2.gz WQFAAFUSPJNQDK-HNNXBMFYSA-N 1 3 267.461 2.347 20 30 CEEDHO N#CC(CCc1ccccc1)C(=O)NCCC[NH+]1CCCC1 ZINC000448598151 378175575 /nfs/dbraw/zinc/17/55/75/378175575.db2.gz RDHGXTBNWDUTTF-QGZVFWFLSA-N 1 3 299.418 2.361 20 30 CEEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339013009 394936536 /nfs/dbraw/zinc/93/65/36/394936536.db2.gz ZMHHBHNNMLGAFG-ARFHVFGLSA-N 1 3 279.428 2.111 20 30 CEEDHO C=C(C)CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000351731232 395232386 /nfs/dbraw/zinc/23/23/86/395232386.db2.gz UFYXZGUIHVQEJK-SJPCQFCGSA-N 1 3 277.456 2.195 20 30 CEEDHO C=C(C)CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000351731232 395232389 /nfs/dbraw/zinc/23/23/89/395232389.db2.gz UFYXZGUIHVQEJK-SJPCQFCGSA-N 1 3 277.456 2.195 20 30 CEEDHO C=CCCCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000568107493 395549255 /nfs/dbraw/zinc/54/92/55/395549255.db2.gz OTGQUEPLZFIWQQ-ARFHVFGLSA-N 1 3 266.429 2.480 20 30 CEEDHO CC(C#N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000336064711 228184450 /nfs/dbraw/zinc/18/44/50/228184450.db2.gz YUVAPIPVECNNRP-LBPRGKRZSA-N 1 3 263.385 2.059 20 30 CEEDHO CCN(CC)[C@H](C)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288772774 263106061 /nfs/dbraw/zinc/10/60/61/263106061.db2.gz VCBXPFMKYITQLP-SNVBAGLBSA-N 1 3 284.354 2.422 20 30 CEEDHO C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+](C)C ZINC000341326931 263331515 /nfs/dbraw/zinc/33/15/15/263331515.db2.gz ZALFVVPYDMLNFQ-GOEBONIOSA-N 1 3 287.407 2.073 20 30 CEEDHO C=CCC[C@H](CO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000320661399 264992291 /nfs/dbraw/zinc/99/22/91/264992291.db2.gz QOGQSDPVYLCNKH-RBSFLKMASA-N 1 3 254.418 2.214 20 30 CEEDHO C=CCCCN1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000117883089 267224148 /nfs/dbraw/zinc/22/41/48/267224148.db2.gz BTTVFYVNGPXDPL-UHFFFAOYSA-N 1 3 279.472 2.445 20 30 CEEDHO C=C(C)CNC(=[NH2+])NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000370161400 267295615 /nfs/dbraw/zinc/29/56/15/267295615.db2.gz KFTWPDFXTVEBNL-JSGCOSHPSA-N 1 3 292.452 2.431 20 30 CEEDHO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCCN2CCCC2)O1 ZINC000378448108 329050645 /nfs/dbraw/zinc/05/06/45/329050645.db2.gz BPFVTQXYEXXILN-WCXIOVBPSA-N 1 3 291.439 2.302 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000171566005 329077528 /nfs/dbraw/zinc/07/75/28/329077528.db2.gz LHHMVVBPSJEBPA-KKUMJFAQSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCC[C@@H](NCCCN1CC[NH2+]CC1)c1ccco1 ZINC000423177045 330174995 /nfs/dbraw/zinc/17/49/95/330174995.db2.gz DOGKPXOWDSHCEG-OAHLLOKOSA-N 1 3 277.412 2.172 20 30 CEEDHO C=CCC[C@H](NCCCN1CC[NH2+]CC1)c1ccco1 ZINC000423177044 330175118 /nfs/dbraw/zinc/17/51/18/330175118.db2.gz DOGKPXOWDSHCEG-HNNXBMFYSA-N 1 3 277.412 2.172 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000424290959 330334728 /nfs/dbraw/zinc/33/47/28/330334728.db2.gz CWBWPLZMIRXMLO-ZFWWWQNUSA-N 1 3 266.429 2.430 20 30 CEEDHO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981269555 613872667 /nfs/dbraw/zinc/87/26/67/613872667.db2.gz BMAHOFAZXQCONB-GJZGRUSLSA-N 1 3 293.455 2.064 20 30 CEEDHO C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)N1CCCC[C@H]1C ZINC000261972327 629406825 /nfs/dbraw/zinc/40/68/25/629406825.db2.gz DRULYSZGLHZVTI-KFWWJZLASA-N 1 3 280.460 2.296 20 30 CEEDHO C=CCCC[C@H](N)C(=O)Nc1ccccc1C[NH2+]C ZINC000911682033 638354609 /nfs/dbraw/zinc/35/46/09/638354609.db2.gz GJHDRZBAMGGMSA-ZDUSSCGKSA-N 1 3 261.369 2.028 20 30 CEEDHO c1nncn1N=C1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842522143 640088171 /nfs/dbraw/zinc/08/81/71/640088171.db2.gz IAVLJLREJIGJGB-UHFFFAOYSA-N 1 3 281.363 2.311 20 30 CEEDHO c1nncn1N=C1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842522143 640088180 /nfs/dbraw/zinc/08/81/80/640088180.db2.gz IAVLJLREJIGJGB-UHFFFAOYSA-N 1 3 281.363 2.311 20 30 CEEDHO C#C[C@H]1CCC[N@@H+](C/C=C\CN2CCC[C@@H](C#C)C2)C1 ZINC000847020687 641525374 /nfs/dbraw/zinc/52/53/74/641525374.db2.gz CYGFUOUZQLJYNX-SPCWZHTESA-N 1 3 270.420 2.233 20 30 CEEDHO C#C[C@H]1CCC[N@H+](C/C=C\CN2CCC[C@@H](C#C)C2)C1 ZINC000847020687 641525377 /nfs/dbraw/zinc/52/53/77/641525377.db2.gz CYGFUOUZQLJYNX-SPCWZHTESA-N 1 3 270.420 2.233 20 30 CEEDHO C#C[C@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020687 641525381 /nfs/dbraw/zinc/52/53/81/641525381.db2.gz CYGFUOUZQLJYNX-SPCWZHTESA-N 1 3 270.420 2.233 20 30 CEEDHO C#C[C@H]1CCCN(C/C=C\C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020687 641525385 /nfs/dbraw/zinc/52/53/85/641525385.db2.gz CYGFUOUZQLJYNX-SPCWZHTESA-N 1 3 270.420 2.233 20 30 CEEDHO C[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)N1CCCC1 ZINC000848986566 642209302 /nfs/dbraw/zinc/20/93/02/642209302.db2.gz GBFRJAYIOYCJGA-OAHLLOKOSA-N 1 3 288.439 2.178 20 30 CEEDHO C#Cc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000858246197 645098013 /nfs/dbraw/zinc/09/80/13/645098013.db2.gz XLZKWVVMPQNHNH-KRWDZBQOSA-N 1 3 256.393 2.489 20 30 CEEDHO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247756 649608013 /nfs/dbraw/zinc/60/80/13/649608013.db2.gz TZUBOFQJFDSNHB-KBPBESRZSA-N 1 3 299.422 2.416 20 30 CEEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001088381781 806174003 /nfs/dbraw/zinc/17/40/03/806174003.db2.gz MMAXMKNJSOHNRF-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO CC[NH+](CC)CCC[C@@H](C)N1CCN(CCC#N)CC1 ZINC001167826845 804388628 /nfs/dbraw/zinc/38/86/28/804388628.db2.gz RLMYXZBQTTWSCR-MRXNPFEDSA-N 1 3 280.460 2.028 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001282168104 804546027 /nfs/dbraw/zinc/54/60/27/804546027.db2.gz PNAMEZUFPZLRLK-LSDHHAIUSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001268258767 804583032 /nfs/dbraw/zinc/58/30/32/804583032.db2.gz FGGFHXZYCKUTTG-INIZCTEOSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001268258767 804583035 /nfs/dbraw/zinc/58/30/35/804583035.db2.gz FGGFHXZYCKUTTG-INIZCTEOSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001268366594 804634451 /nfs/dbraw/zinc/63/44/51/804634451.db2.gz NRMLDJUJSZGNEK-HNNXBMFYSA-N 1 3 295.471 2.311 20 30 CEEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171586791 815192598 /nfs/dbraw/zinc/19/25/98/815192598.db2.gz TTXKFXUVXMCCRP-OAHLLOKOSA-N 1 3 295.471 2.005 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044630711 811516987 /nfs/dbraw/zinc/51/69/87/811516987.db2.gz YHFALZOKJZGSCC-GJZGRUSLSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132152427 812791633 /nfs/dbraw/zinc/79/16/33/812791633.db2.gz CDIFYGCOLJQGMZ-LSDHHAIUSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132152427 812791643 /nfs/dbraw/zinc/79/16/43/812791643.db2.gz CDIFYGCOLJQGMZ-LSDHHAIUSA-N 1 3 295.471 2.262 20 30 CEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052378169 812984571 /nfs/dbraw/zinc/98/45/71/812984571.db2.gz SNHRVWOGOMWGLU-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052378169 812984578 /nfs/dbraw/zinc/98/45/78/812984578.db2.gz SNHRVWOGOMWGLU-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475974 813446734 /nfs/dbraw/zinc/44/67/34/813446734.db2.gz HMKUDDITVGMCBT-LSDHHAIUSA-N 1 3 297.487 2.413 20 30 CEEDHO C#Cc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001144579022 814114109 /nfs/dbraw/zinc/11/41/09/814114109.db2.gz WAUUJOWURBSJKH-UHFFFAOYSA-N 1 3 254.377 2.196 20 30 CEEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179308692 816848561 /nfs/dbraw/zinc/84/85/61/816848561.db2.gz KIZYWRQBDNWJGW-FXUDXRNXSA-N 1 3 293.455 2.014 20 30 CEEDHO C=CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499576 816871482 /nfs/dbraw/zinc/87/14/82/816871482.db2.gz XKIODZPHEMBRAE-OAHLLOKOSA-N 1 3 283.460 2.025 20 30 CEEDHO C=CCC1([NH2+][C@H]2CCN3CCC[C@@H]3C2)CCOCC1 ZINC000668552441 539196697 /nfs/dbraw/zinc/19/66/97/539196697.db2.gz MGEHPAXJEFICQW-LSDHHAIUSA-N 1 3 264.413 2.328 20 30 CEEDHO N#Cc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228535082 344561001 /nfs/dbraw/zinc/56/10/01/344561001.db2.gz FXYZIXCOGHJHRE-ARFHVFGLSA-N 1 3 255.365 2.117 20 30 CEEDHO C#CCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292885755 344689661 /nfs/dbraw/zinc/68/96/61/344689661.db2.gz YHIUEYRUPLLILL-GOSISDBHSA-N 1 3 284.403 2.226 20 30 CEEDHO C#CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292885755 344689664 /nfs/dbraw/zinc/68/96/64/344689664.db2.gz YHIUEYRUPLLILL-GOSISDBHSA-N 1 3 284.403 2.226 20 30 CEEDHO CC[C@@H]1CN(CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595895824 345909719 /nfs/dbraw/zinc/90/97/19/345909719.db2.gz WKVJTUZRZJDCQO-CVEARBPZSA-N 1 3 257.381 2.160 20 30 CEEDHO N#Cc1ccc(N2CCC(NCC3([NH3+])CCCC3)CC2)cc1 ZINC000596647974 346071389 /nfs/dbraw/zinc/07/13/89/346071389.db2.gz FGGGYQDMRHTQCY-UHFFFAOYSA-N 1 3 298.434 2.388 20 30 CEEDHO N#Cc1ccccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000598680515 346400501 /nfs/dbraw/zinc/40/05/01/346400501.db2.gz ZHZDXJMTJFQJRD-NVXWUHKLSA-N 1 3 269.392 2.380 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000600767260 346686621 /nfs/dbraw/zinc/68/66/21/346686621.db2.gz AHMYMAUVCKVLEV-UONOGXRCSA-N 1 3 273.380 2.363 20 30 CEEDHO C=C(C)[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000680401189 541408599 /nfs/dbraw/zinc/40/85/99/541408599.db2.gz IHDBEYHRQBBLCP-DZKIICNBSA-N 1 3 266.429 2.166 20 30 CEEDHO CN(C)[C@H](CNC(=[NH2+])Nc1ccccn1)C1CCCCC1 ZINC000170913021 367446929 /nfs/dbraw/zinc/44/69/29/367446929.db2.gz PBYGTVOPPOXIPK-CQSZACIVSA-N 1 3 289.427 2.319 20 30 CEEDHO CCN1CCN(CCCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174267662 368004246 /nfs/dbraw/zinc/00/42/46/368004246.db2.gz KKOLHUMJESKGOW-UHFFFAOYSA-N 1 3 294.487 2.324 20 30 CEEDHO CSC1(CNCc2ccc(C#N)o2)CC[NH+](C)CC1 ZINC000353203940 370070374 /nfs/dbraw/zinc/07/03/74/370070374.db2.gz CEKHHSIDYBQDIS-UHFFFAOYSA-N 1 3 279.409 2.068 20 30 CEEDHO C=C(C)C[NH+]1CCC(NCc2ccc(CO)cc2)CC1 ZINC000638524609 370590261 /nfs/dbraw/zinc/59/02/61/370590261.db2.gz PMKXMGLOMWSPBI-UHFFFAOYSA-N 1 3 274.408 2.309 20 30 CEEDHO C=CCOCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479663 373145802 /nfs/dbraw/zinc/14/58/02/373145802.db2.gz YSLASPCOMPXAEJ-WBVHZDCISA-N 1 3 288.391 2.035 20 30 CEEDHO CC#CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374838719 374633855 /nfs/dbraw/zinc/63/38/55/374633855.db2.gz ULHHFHAPHZFTKF-UHFFFAOYSA-N 1 3 257.381 2.253 20 30 CEEDHO CC#CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374838719 374633861 /nfs/dbraw/zinc/63/38/61/374633861.db2.gz ULHHFHAPHZFTKF-UHFFFAOYSA-N 1 3 257.381 2.253 20 30 CEEDHO N#Cc1ccc(OCCN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422987249 376908106 /nfs/dbraw/zinc/90/81/06/376908106.db2.gz FTTAMDFWLHYKOF-HOCLYGCPSA-N 1 3 273.380 2.044 20 30 CEEDHO N#Cc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422987249 376908115 /nfs/dbraw/zinc/90/81/15/376908115.db2.gz FTTAMDFWLHYKOF-HOCLYGCPSA-N 1 3 273.380 2.044 20 30 CEEDHO CC(C)CC[NH+]1CCC(CNC(=O)C(C)C#N)CC1 ZINC000431552104 377652248 /nfs/dbraw/zinc/65/22/48/377652248.db2.gz FFGFDHJMDYFXHD-CYBMUJFWSA-N 1 3 265.401 2.020 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000436291280 377822380 /nfs/dbraw/zinc/82/23/80/377822380.db2.gz PUJLMLBPLIRNTE-WCVJEAGWSA-N 1 3 264.413 2.184 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000436291280 377822386 /nfs/dbraw/zinc/82/23/86/377822386.db2.gz PUJLMLBPLIRNTE-WCVJEAGWSA-N 1 3 264.413 2.184 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000436291280 377822392 /nfs/dbraw/zinc/82/23/92/377822392.db2.gz PUJLMLBPLIRNTE-WCVJEAGWSA-N 1 3 264.413 2.184 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437838801 377868924 /nfs/dbraw/zinc/86/89/24/377868924.db2.gz LSBLEPQWSQTDSA-JSGCOSHPSA-N 1 3 263.385 2.059 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437838801 377868932 /nfs/dbraw/zinc/86/89/32/377868932.db2.gz LSBLEPQWSQTDSA-JSGCOSHPSA-N 1 3 263.385 2.059 20 30 CEEDHO C=CCC[C@@H](CC)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442879888 378012466 /nfs/dbraw/zinc/01/24/66/378012466.db2.gz WQFAAFUSPJNQDK-OAHLLOKOSA-N 1 3 267.461 2.347 20 30 CEEDHO CN(C)C1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCC1 ZINC000262271649 394615502 /nfs/dbraw/zinc/61/55/02/394615502.db2.gz INXUQWFXMFOPGX-UHFFFAOYSA-N 1 3 282.338 2.176 20 30 CEEDHO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423377654 394906786 /nfs/dbraw/zinc/90/67/86/394906786.db2.gz VXLSBCXWVABRMR-SQWLQELKSA-N 1 3 255.365 2.405 20 30 CEEDHO C[C@@H](NCCOCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339086194 394941729 /nfs/dbraw/zinc/94/17/29/394941729.db2.gz ZPOKLZJOTUIPIC-CABCVRRESA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@@H](NCCOCCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086194 394941735 /nfs/dbraw/zinc/94/17/35/394941735.db2.gz ZPOKLZJOTUIPIC-CABCVRRESA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@@H]([NH2+]CCOCCC#N)[C@H]1CCCN(C2CCC2)C1 ZINC000339086194 394941739 /nfs/dbraw/zinc/94/17/39/394941739.db2.gz ZPOKLZJOTUIPIC-CABCVRRESA-N 1 3 279.428 2.159 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+]CCCNC3CC3)CC2)cc1 ZINC000423569330 394952265 /nfs/dbraw/zinc/95/22/65/394952265.db2.gz WIZBBBOBLFQJGB-UHFFFAOYSA-N 1 3 298.434 2.259 20 30 CEEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000345731245 395074213 /nfs/dbraw/zinc/07/42/13/395074213.db2.gz SIPMJNIYMRWACD-OAHLLOKOSA-N 1 3 281.444 2.359 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000289895322 395089884 /nfs/dbraw/zinc/08/98/84/395089884.db2.gz SUXIASWCZQZOFT-XWTMOSNGSA-N 1 3 286.419 2.034 20 30 CEEDHO C=CCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346840162 395109620 /nfs/dbraw/zinc/10/96/20/395109620.db2.gz ZSWXORRRHAXNKF-USXIJHARSA-N 1 3 272.392 2.421 20 30 CEEDHO C=CC[C@@H](CO)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000341885342 263363135 /nfs/dbraw/zinc/36/31/35/263363135.db2.gz WTJMDVCDOFQMQX-CYBMUJFWSA-N 1 3 254.418 2.024 20 30 CEEDHO C=CC[C@@H](CO)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000341885342 263363138 /nfs/dbraw/zinc/36/31/38/263363138.db2.gz WTJMDVCDOFQMQX-CYBMUJFWSA-N 1 3 254.418 2.024 20 30 CEEDHO CN(C)C(=[NH+]C[C@@H]1CCN(C)[C@@H]1c1cccs1)N(C)C ZINC000370163357 267295751 /nfs/dbraw/zinc/29/57/51/267295751.db2.gz SJLALFCEHXSQEL-JSGCOSHPSA-N 1 3 294.468 2.220 20 30 CEEDHO C=CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371346139 267394168 /nfs/dbraw/zinc/39/41/68/267394168.db2.gz VCNZWHOKDWXKHP-UHFFFAOYSA-N 1 3 265.445 2.053 20 30 CEEDHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C#N)cc1 ZINC000271863432 278256263 /nfs/dbraw/zinc/25/62/63/278256263.db2.gz KVOFPOUGKQWGAN-ZDUSSCGKSA-N 1 3 255.365 2.471 20 30 CEEDHO CC(C#N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000336428446 279180925 /nfs/dbraw/zinc/18/09/25/279180925.db2.gz QJCQUDQVOQABCY-CQSZACIVSA-N 1 3 277.412 2.261 20 30 CEEDHO CC(C#N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000336428446 279180926 /nfs/dbraw/zinc/18/09/26/279180926.db2.gz QJCQUDQVOQABCY-CQSZACIVSA-N 1 3 277.412 2.261 20 30 CEEDHO C=CC[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000186719577 329348241 /nfs/dbraw/zinc/34/82/41/329348241.db2.gz QHCVDSGKTNFBOL-HNNXBMFYSA-N 1 3 266.429 2.310 20 30 CEEDHO C=CC[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000186719577 329348242 /nfs/dbraw/zinc/34/82/42/329348242.db2.gz QHCVDSGKTNFBOL-HNNXBMFYSA-N 1 3 266.429 2.310 20 30 CEEDHO C=C(CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000423021941 330165780 /nfs/dbraw/zinc/16/57/80/330165780.db2.gz DBCKQHFDCDEZDI-CWRNSKLLSA-N 1 3 260.381 2.042 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423105659 330170403 /nfs/dbraw/zinc/17/04/03/330170403.db2.gz ZDYLOSVHFBVXNF-QEORTHHSSA-N 1 3 289.423 2.481 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@H](NCCCC#N)[C@@H](C)C1 ZINC000248444742 334302114 /nfs/dbraw/zinc/30/21/14/334302114.db2.gz BRWHBDZXVGPELV-GJZGRUSLSA-N 1 3 267.417 2.017 20 30 CEEDHO CCOCCC[N@H+]1CC[C@H](NCCCC#N)[C@@H](C)C1 ZINC000248444742 334302116 /nfs/dbraw/zinc/30/21/16/334302116.db2.gz BRWHBDZXVGPELV-GJZGRUSLSA-N 1 3 267.417 2.017 20 30 CEEDHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(=Nn2cnnc2)CC1 ZINC000733902101 574690078 /nfs/dbraw/zinc/69/00/78/574690078.db2.gz LLTQAOHLADFART-JSGCOSHPSA-N 1 3 261.373 2.157 20 30 CEEDHO CN(CCNC(=[NH2+])N1CCCCCC1)C1CCCCC1 ZINC000305066956 622704404 /nfs/dbraw/zinc/70/44/04/622704404.db2.gz NFKCEHXQSYNLDO-UHFFFAOYSA-N 1 3 280.460 2.442 20 30 CEEDHO CCNC(NC[C@]1(N(C)C)CCC[C@@H](C)C1)=[NH+]CC ZINC000066245710 625820249 /nfs/dbraw/zinc/82/02/49/625820249.db2.gz YEPPYEWWZUHTDP-HIFRSBDPSA-N 1 3 268.449 2.072 20 30 CEEDHO C#CC[N@@H+](C)CCCNCc1ccccc1NCC ZINC000902575726 634731978 /nfs/dbraw/zinc/73/19/78/634731978.db2.gz OOUFXBQMECYLHF-UHFFFAOYSA-N 1 3 259.397 2.163 20 30 CEEDHO C#CC[N@H+](C)CCCNCc1ccccc1NCC ZINC000902575726 634731982 /nfs/dbraw/zinc/73/19/82/634731982.db2.gz OOUFXBQMECYLHF-UHFFFAOYSA-N 1 3 259.397 2.163 20 30 CEEDHO C=CCC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903185300 635002084 /nfs/dbraw/zinc/00/20/84/635002084.db2.gz CXESRAJWZAYBLG-WYQXTGKHSA-N 1 3 264.413 2.061 20 30 CEEDHO C=CCC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903185300 635002087 /nfs/dbraw/zinc/00/20/87/635002087.db2.gz CXESRAJWZAYBLG-WYQXTGKHSA-N 1 3 264.413 2.061 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000903447304 635133030 /nfs/dbraw/zinc/13/30/30/635133030.db2.gz NUIGOJLCSTXBMJ-HIFRSBDPSA-N 1 3 257.381 2.344 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000911691591 638360239 /nfs/dbraw/zinc/36/02/39/638360239.db2.gz CBGSZDYGJKVXKF-HNNXBMFYSA-N 1 3 283.460 2.275 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000911788618 638413171 /nfs/dbraw/zinc/41/31/71/638413171.db2.gz CGKGCXMYIHZYMV-HNNXBMFYSA-N 1 3 287.407 2.108 20 30 CEEDHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109337 643311676 /nfs/dbraw/zinc/31/16/76/643311676.db2.gz ZPCOCHGVKXMZAM-MSOLQXFVSA-N 1 3 299.418 2.009 20 30 CEEDHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000852109337 643311679 /nfs/dbraw/zinc/31/16/79/643311679.db2.gz ZPCOCHGVKXMZAM-MSOLQXFVSA-N 1 3 299.418 2.009 20 30 CEEDHO N#Cc1cc(Cl)cc(CN2CC[C@@H](CC[NH3+])C2)c1 ZINC000923480437 643730969 /nfs/dbraw/zinc/73/09/69/643730969.db2.gz YOBVXIOIRGHVFZ-LLVKDONJSA-N 1 3 263.772 2.382 20 30 CEEDHO C=CCOCCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213622 645422552 /nfs/dbraw/zinc/42/25/52/645422552.db2.gz XOIUHJWSFHMKOF-UHFFFAOYSA-N 1 3 262.397 2.383 20 30 CEEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331526 802385064 /nfs/dbraw/zinc/38/50/64/802385064.db2.gz TVPYOUSHQKJEES-HNNXBMFYSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC001209431358 802526039 /nfs/dbraw/zinc/52/60/39/802526039.db2.gz LRDZGXMYMLNMAJ-UHFFFAOYSA-N 1 3 267.461 2.302 20 30 CEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001266551841 802708627 /nfs/dbraw/zinc/70/86/27/802708627.db2.gz AUWOEGQMWSSJRO-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001266897163 802976495 /nfs/dbraw/zinc/97/64/95/802976495.db2.gz MBGYJKCENZWYSQ-CVEARBPZSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CCC)C1 ZINC001266897163 802976500 /nfs/dbraw/zinc/97/65/00/802976500.db2.gz MBGYJKCENZWYSQ-CVEARBPZSA-N 1 3 295.471 2.121 20 30 CEEDHO CN(C)/C=N/c1ccc(-n2cccc2C[NH3+])cc1C#N ZINC001167596281 803179490 /nfs/dbraw/zinc/17/94/90/803179490.db2.gz ZUTSFOJOIJLSAI-WOJGMQOQSA-N 1 3 267.336 2.029 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001269402150 805155790 /nfs/dbraw/zinc/15/57/90/805155790.db2.gz JDHPGBROOIVHBO-JKSUJKDBSA-N 1 3 295.471 2.310 20 30 CEEDHO C[NH+]1CCC2(CN(Cc3ccccc3CC#N)C2)CC1 ZINC001235526395 807839688 /nfs/dbraw/zinc/83/96/88/807839688.db2.gz YIXPMLZRKKMBIS-UHFFFAOYSA-N 1 3 269.392 2.280 20 30 CEEDHO C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172489106 815450754 /nfs/dbraw/zinc/45/07/54/815450754.db2.gz ZGCYUMLLOMCQOP-JYJNAYRXSA-N 1 3 279.428 2.302 20 30 CEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052428182 812991650 /nfs/dbraw/zinc/99/16/50/812991650.db2.gz FNIMEHVQRYYKGZ-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001052428182 812991658 /nfs/dbraw/zinc/99/16/58/812991658.db2.gz FNIMEHVQRYYKGZ-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133434214 813074106 /nfs/dbraw/zinc/07/41/06/813074106.db2.gz LLGANJCJOWRXIB-OAHLLOKOSA-N 1 3 285.476 2.249 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135980593 813578185 /nfs/dbraw/zinc/57/81/85/813578185.db2.gz QHBYDFVEYIKJJK-LSDHHAIUSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246025666 813665080 /nfs/dbraw/zinc/66/50/80/813665080.db2.gz ZFWFKWVRJBCOGE-RBSFLKMASA-N 1 3 254.418 2.295 20 30 CEEDHO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246025666 813665087 /nfs/dbraw/zinc/66/50/87/813665087.db2.gz ZFWFKWVRJBCOGE-RBSFLKMASA-N 1 3 254.418 2.295 20 30 CEEDHO C=CCOC1CCC([N@@H+]2CCC[C@H](N)CC2)CC1 ZINC001246544309 813966922 /nfs/dbraw/zinc/96/69/22/813966922.db2.gz XMDCKYSGFUNNNF-NFOMZHRRSA-N 1 3 252.402 2.313 20 30 CEEDHO C=CCOC1CCC([N@H+]2CCC[C@H](N)CC2)CC1 ZINC001246544309 813966928 /nfs/dbraw/zinc/96/69/28/813966928.db2.gz XMDCKYSGFUNNNF-NFOMZHRRSA-N 1 3 252.402 2.313 20 30 CEEDHO C=CCC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681839 814171814 /nfs/dbraw/zinc/17/18/14/814171814.db2.gz VBXNGEVVRCWFAC-UHFFFAOYSA-N 1 3 295.471 2.025 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580245 816884708 /nfs/dbraw/zinc/88/47/08/816884708.db2.gz ARRNCJZCDYPKTR-MRXNPFEDSA-N 1 3 295.471 2.313 20 30 CEEDHO CCN(C)C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595340582 345764978 /nfs/dbraw/zinc/76/49/78/345764978.db2.gz CMFUBFXRYWDCBD-QGZVFWFLSA-N 1 3 271.408 2.374 20 30 CEEDHO CCN(C)C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595340582 345764982 /nfs/dbraw/zinc/76/49/82/345764982.db2.gz CMFUBFXRYWDCBD-QGZVFWFLSA-N 1 3 271.408 2.374 20 30 CEEDHO CC1(C)CNCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595893090 345908356 /nfs/dbraw/zinc/90/83/56/345908356.db2.gz OZGXQHUFDKMXRK-OAHLLOKOSA-N 1 3 257.381 2.078 20 30 CEEDHO CC1(C)C[NH2+]CC[C@H]1NCCc1ccc(C#N)cc1 ZINC000595893090 345908358 /nfs/dbraw/zinc/90/83/58/345908358.db2.gz OZGXQHUFDKMXRK-OAHLLOKOSA-N 1 3 257.381 2.078 20 30 CEEDHO N#Cc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000596649725 346071541 /nfs/dbraw/zinc/07/15/41/346071541.db2.gz GGRSPHYBYUCHPE-HOTGVXAUSA-N 1 3 257.381 2.350 20 30 CEEDHO Cc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1C#N ZINC000600710815 346675675 /nfs/dbraw/zinc/67/56/75/346675675.db2.gz PSOJMFVRNTXAIA-CQSZACIVSA-N 1 3 257.381 2.428 20 30 CEEDHO C[C@@H]1CC2(CN1Cc1ccc(C#N)o1)CC[NH2+]CC2 ZINC000600769001 346686662 /nfs/dbraw/zinc/68/66/62/346686662.db2.gz IUUOPGLUDKZAIY-GFCCVEGCSA-N 1 3 259.353 2.115 20 30 CEEDHO N#C[C@@H]1CC[C@H](N2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848383 347223621 /nfs/dbraw/zinc/22/36/21/347223621.db2.gz MPUORDGVBGDGGE-ZBFHGGJFSA-N 1 3 270.380 2.286 20 30 CEEDHO C=CCN(CC=C)[C@@H](CNC(=O)C1([NH3+])CCCC1)C(C)C ZINC000236654618 539817521 /nfs/dbraw/zinc/81/75/21/539817521.db2.gz GFIISDAYOKTTGX-HNNXBMFYSA-N 1 3 293.455 2.073 20 30 CEEDHO C=CCN(CC=C)[C@H](CNC(=O)C1([NH3+])CCCC1)C(C)C ZINC000236678129 539818122 /nfs/dbraw/zinc/81/81/22/539818122.db2.gz GFIISDAYOKTTGX-OAHLLOKOSA-N 1 3 293.455 2.073 20 30 CEEDHO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCCNC1 ZINC000582958736 366981986 /nfs/dbraw/zinc/98/19/86/366981986.db2.gz ZMMCECMBYSLQSW-CZUORRHYSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@@H](NCCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000582958736 366981988 /nfs/dbraw/zinc/98/19/88/366981988.db2.gz ZMMCECMBYSLQSW-CZUORRHYSA-N 1 3 257.381 2.078 20 30 CEEDHO C=C(C)CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000351759760 369651659 /nfs/dbraw/zinc/65/16/59/369651659.db2.gz STHIAOWDSVYTDV-RBSFLKMASA-N 1 3 252.402 2.136 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289685890 376445195 /nfs/dbraw/zinc/44/51/95/376445195.db2.gz HZISHMBYTZWCAM-HYVNUMGLSA-N 1 3 274.408 2.034 20 30 CEEDHO N#Cc1ccc(OCCN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422987248 376907124 /nfs/dbraw/zinc/90/71/24/376907124.db2.gz FTTAMDFWLHYKOF-GOEBONIOSA-N 1 3 273.380 2.044 20 30 CEEDHO N#Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422987248 376907133 /nfs/dbraw/zinc/90/71/33/376907133.db2.gz FTTAMDFWLHYKOF-GOEBONIOSA-N 1 3 273.380 2.044 20 30 CEEDHO N#Cc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000333864114 380166783 /nfs/dbraw/zinc/16/67/83/380166783.db2.gz QQIIYWOACDIDJS-MSOLQXFVSA-N 1 3 299.418 2.277 20 30 CEEDHO N#Cc1cccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000268954874 394703887 /nfs/dbraw/zinc/70/38/87/394703887.db2.gz FZPIXEQDQSGVDD-ROUUACIJSA-N 1 3 299.418 2.026 20 30 CEEDHO N#Cc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000268964453 394704798 /nfs/dbraw/zinc/70/47/98/394704798.db2.gz KLDDRUZQIVDUCY-ZWKOTPCHSA-N 1 3 299.418 2.026 20 30 CEEDHO C=C[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000289647482 395082702 /nfs/dbraw/zinc/08/27/02/395082702.db2.gz GBCCAITUKPVGTN-FJIDUMEYSA-N 1 3 286.419 2.319 20 30 CEEDHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1 ZINC000651709489 401376008 /nfs/dbraw/zinc/37/60/08/401376008.db2.gz YMGUAAAIHBRDMP-IXDOHACOSA-N 1 3 291.483 2.489 20 30 CEEDHO N#Cc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000037408181 173183617 /nfs/dbraw/zinc/18/36/17/173183617.db2.gz DFBZKFALPXMOCY-OAHLLOKOSA-N 1 3 255.365 2.132 20 30 CEEDHO C=CCOCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665263094 415656095 /nfs/dbraw/zinc/65/60/95/415656095.db2.gz GCNAKNMYGSMGPZ-RBSFLKMASA-N 1 3 252.402 2.089 20 30 CEEDHO C=CC[C@]1(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CCC[NH2+]1 ZINC000662710185 415938012 /nfs/dbraw/zinc/93/80/12/415938012.db2.gz FMWKXPYVLKNUKE-BFYDXBDKSA-N 1 3 293.455 2.064 20 30 CEEDHO CC(C#N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309783108 262020579 /nfs/dbraw/zinc/02/05/79/262020579.db2.gz LPNOMQFDYBPALO-IJEWVQPXSA-N 1 3 285.391 2.173 20 30 CEEDHO CC(C#N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309783108 262020581 /nfs/dbraw/zinc/02/05/81/262020581.db2.gz LPNOMQFDYBPALO-IJEWVQPXSA-N 1 3 285.391 2.173 20 30 CEEDHO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(C#N)cc1 ZINC000447527245 267222132 /nfs/dbraw/zinc/22/21/32/267222132.db2.gz DIVAJKCHZXOOMI-IRXDYDNUSA-N 1 3 287.407 2.056 20 30 CEEDHO C[C@@H](NCC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000581245537 322380308 /nfs/dbraw/zinc/38/03/08/322380308.db2.gz ILVHSTYWUOPEFZ-LLVKDONJSA-N 1 3 261.344 2.348 20 30 CEEDHO C=CCCCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000568107495 326943497 /nfs/dbraw/zinc/94/34/97/326943497.db2.gz OTGQUEPLZFIWQQ-HRCADAONSA-N 1 3 266.429 2.480 20 30 CEEDHO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262460719 330014760 /nfs/dbraw/zinc/01/47/60/330014760.db2.gz MIECECPCAPTGMT-HRCADAONSA-N 1 3 292.471 2.168 20 30 CEEDHO CN1CCC[NH+]=C1NC[C@H]1CCCN1C1CCCCC1 ZINC000263116059 330044330 /nfs/dbraw/zinc/04/43/30/330044330.db2.gz LNPMAYGSCBMLSB-OAHLLOKOSA-N 1 3 278.444 2.065 20 30 CEEDHO C=CCN(CC=C)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422834977 330156782 /nfs/dbraw/zinc/15/67/82/330156782.db2.gz ONLSNHHNKXBBJF-ZACQAIPSSA-N 1 3 279.472 2.415 20 30 CEEDHO C=CCCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423046961 330167197 /nfs/dbraw/zinc/16/71/97/330167197.db2.gz FLPNYARBZKGTFX-SOUVJXGZSA-N 1 3 252.402 2.089 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423105658 330170625 /nfs/dbraw/zinc/17/06/25/330170625.db2.gz ZDYLOSVHFBVXNF-MRRJBJDNSA-N 1 3 289.423 2.481 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000328104904 330314073 /nfs/dbraw/zinc/31/40/73/330314073.db2.gz MFYBMWJYDYTCGP-ZDUSSCGKSA-N 1 3 278.371 2.440 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000328104904 330314074 /nfs/dbraw/zinc/31/40/74/330314074.db2.gz MFYBMWJYDYTCGP-ZDUSSCGKSA-N 1 3 278.371 2.440 20 30 CEEDHO CC(C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347100187 335373447 /nfs/dbraw/zinc/37/34/47/335373447.db2.gz FHIHKIKBCJNUDT-HZTRTUMWSA-N 1 3 297.402 2.458 20 30 CEEDHO CC(C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347100187 335373448 /nfs/dbraw/zinc/37/34/48/335373448.db2.gz FHIHKIKBCJNUDT-HZTRTUMWSA-N 1 3 297.402 2.458 20 30 CEEDHO C[C@H](CC(C)(C)C#N)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925559018 628224267 /nfs/dbraw/zinc/22/42/67/628224267.db2.gz VIFPGBQDYDYQOK-BMFZPTHFSA-N 1 3 293.455 2.282 20 30 CEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001014632886 632639510 /nfs/dbraw/zinc/63/95/10/632639510.db2.gz RYUQQKJDFGJISE-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001014632886 632639511 /nfs/dbraw/zinc/63/95/11/632639511.db2.gz RYUQQKJDFGJISE-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000817964521 633806075 /nfs/dbraw/zinc/80/60/75/633806075.db2.gz BGARXVBXUWQYHU-MLGOLLRUSA-N 1 3 258.365 2.087 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000911670602 638343972 /nfs/dbraw/zinc/34/39/72/638343972.db2.gz NKVVVXBWVVYPHK-OAHLLOKOSA-N 1 3 283.460 2.262 20 30 CEEDHO C[NH+](C)CCCCNCc1cc(C#N)cnc1Cl ZINC000876988794 650521637 /nfs/dbraw/zinc/52/16/37/650521637.db2.gz LVBJBYOICZQSMO-UHFFFAOYSA-N 1 3 266.776 2.038 20 30 CEEDHO C[NH+]1CCC(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877021009 650534877 /nfs/dbraw/zinc/53/48/77/650534877.db2.gz KYBSJMHPMMVISU-UHFFFAOYSA-N 1 3 278.787 2.038 20 30 CEEDHO CN(C)C[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000113512271 644415710 /nfs/dbraw/zinc/41/57/10/644415710.db2.gz ISPHJWGIUKXQJN-MRXNPFEDSA-N 1 3 287.407 2.211 20 30 CEEDHO CN(C)C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000113512271 644415715 /nfs/dbraw/zinc/41/57/15/644415715.db2.gz ISPHJWGIUKXQJN-MRXNPFEDSA-N 1 3 287.407 2.211 20 30 CEEDHO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000764520710 645652500 /nfs/dbraw/zinc/65/25/00/645652500.db2.gz BCCKMGPEFYFQAJ-UHFFFAOYSA-N 1 3 275.396 2.113 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000865847927 647492043 /nfs/dbraw/zinc/49/20/43/647492043.db2.gz PSSRNYGUVAQELA-RCCFBDPRSA-N 1 3 281.403 2.242 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000865847927 647492046 /nfs/dbraw/zinc/49/20/46/647492046.db2.gz PSSRNYGUVAQELA-RCCFBDPRSA-N 1 3 281.403 2.242 20 30 CEEDHO C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001271551510 805991374 /nfs/dbraw/zinc/99/13/74/805991374.db2.gz LHLFNWNUHXCBEZ-JKSUJKDBSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CN(C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266362839 802490411 /nfs/dbraw/zinc/49/04/11/802490411.db2.gz WTHAVVYEIOMSHU-INIZCTEOSA-N 1 3 295.471 2.121 20 30 CEEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001266552157 802708340 /nfs/dbraw/zinc/70/83/40/802708340.db2.gz OCTVWEGBRREHDL-AWEZNQCLSA-N 1 3 292.427 2.113 20 30 CEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001266816749 802919030 /nfs/dbraw/zinc/91/90/30/802919030.db2.gz ITODEXYSJSFLEL-HOTGVXAUSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCN1CCC(C)(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001270248780 805381775 /nfs/dbraw/zinc/38/17/75/805381775.db2.gz KFHKKJSFIQLBJY-OAHLLOKOSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCCC[NH+]1CCC(C)(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001270260790 805385261 /nfs/dbraw/zinc/38/52/61/805385261.db2.gz HQIPAJWWNAYWIA-HNNXBMFYSA-N 1 3 295.471 2.264 20 30 CEEDHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncc(C#N)c1)C2 ZINC001172115983 815306489 /nfs/dbraw/zinc/30/64/89/815306489.db2.gz WXDBSLRHGSGOMP-MUJYYYPQSA-N 1 3 270.380 2.058 20 30 CEEDHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncc(C#N)c1)C2 ZINC001172115986 815307409 /nfs/dbraw/zinc/30/74/09/815307409.db2.gz WXDBSLRHGSGOMP-PHZGNYQRSA-N 1 3 270.380 2.058 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001122002870 815376882 /nfs/dbraw/zinc/37/68/82/815376882.db2.gz LNKNIBIVZGMAPT-KKUMJFAQSA-N 1 3 281.444 2.001 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001122002870 815376889 /nfs/dbraw/zinc/37/68/89/815376889.db2.gz LNKNIBIVZGMAPT-KKUMJFAQSA-N 1 3 281.444 2.001 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1CCC ZINC001085217600 810697000 /nfs/dbraw/zinc/69/70/00/810697000.db2.gz ITQQSLNWKYJFTR-BZUAXINKSA-N 1 3 293.455 2.064 20 30 CEEDHO C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699478 810881460 /nfs/dbraw/zinc/88/14/60/810881460.db2.gz OREIRSPNNICDFW-OAHLLOKOSA-N 1 3 298.390 2.057 20 30 CEEDHO C[C@@H](CCCC#N)[N@@H+]1Cc2ccccc2C[C@@H]1CN ZINC001172487329 815430046 /nfs/dbraw/zinc/43/00/46/815430046.db2.gz ARTMXLJDWFVFPI-XJKSGUPXSA-N 1 3 257.381 2.454 20 30 CEEDHO C[C@@H](CCCC#N)[N@H+]1Cc2ccccc2C[C@@H]1CN ZINC001172487329 815430048 /nfs/dbraw/zinc/43/00/48/815430048.db2.gz ARTMXLJDWFVFPI-XJKSGUPXSA-N 1 3 257.381 2.454 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584606 813292980 /nfs/dbraw/zinc/29/29/80/813292980.db2.gz VOYOGTUCAYKAIE-CABCVRRESA-N 1 3 295.471 2.310 20 30 CEEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135477655 813446125 /nfs/dbraw/zinc/44/61/25/813446125.db2.gz VVNXLZGOZNWNJD-KBPBESRZSA-N 1 3 283.460 2.023 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031773 813589335 /nfs/dbraw/zinc/58/93/35/813589335.db2.gz PUDNCQKAIVBBMH-STQMWFEESA-N 1 3 292.427 2.100 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256774 816162893 /nfs/dbraw/zinc/16/28/93/816162893.db2.gz OJDPQCVBWDWPQC-JKSUJKDBSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179554252 816879826 /nfs/dbraw/zinc/87/98/26/816879826.db2.gz XJHWLDNFGLBYOP-UGUYLWEFSA-N 1 3 295.471 2.260 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000584584676 344959387 /nfs/dbraw/zinc/95/93/87/344959387.db2.gz DGWWTNVEDWRINJ-MAZHCROVSA-N 1 3 275.396 2.233 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](N)C1CC1 ZINC000591578157 345265952 /nfs/dbraw/zinc/26/59/52/345265952.db2.gz BWUXMRNMJUDLCY-HOTGVXAUSA-N 1 3 255.365 2.263 20 30 CEEDHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000591581807 345266689 /nfs/dbraw/zinc/26/66/89/345266689.db2.gz WFYWMSZDDRXTAP-NHYWBVRUSA-N 1 3 273.355 2.490 20 30 CEEDHO N#CCc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000592470741 345358432 /nfs/dbraw/zinc/35/84/32/345358432.db2.gz GRMNHKNBFOQOSN-CVEARBPZSA-N 1 3 257.381 2.360 20 30 CEEDHO C[NH+]1CCC2(CC1)CN(CCCC(C)(C)C#N)CCO2 ZINC000592183225 345335019 /nfs/dbraw/zinc/33/50/19/345335019.db2.gz TWCDITMLIINHAL-UHFFFAOYSA-N 1 3 279.428 2.113 20 30 CEEDHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594424391 345625079 /nfs/dbraw/zinc/62/50/79/345625079.db2.gz CNILPLSQDVSSQP-FZMZJTMJSA-N 1 3 274.368 2.056 20 30 CEEDHO N#Cc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000596649724 346071611 /nfs/dbraw/zinc/07/16/11/346071611.db2.gz GGRSPHYBYUCHPE-CVEARBPZSA-N 1 3 257.381 2.350 20 30 CEEDHO N#CC1(C[C@H](O)CNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000600731738 346680129 /nfs/dbraw/zinc/68/01/29/346680129.db2.gz ZJBKMYKDVIBOFX-INIZCTEOSA-N 1 3 291.439 2.038 20 30 CEEDHO N#CC1(C[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000600731738 346680132 /nfs/dbraw/zinc/68/01/32/346680132.db2.gz ZJBKMYKDVIBOFX-INIZCTEOSA-N 1 3 291.439 2.038 20 30 CEEDHO C[NH+]1CCC(N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807804 349044980 /nfs/dbraw/zinc/04/49/80/349044980.db2.gz XCTNFQGWOGVQSM-MRXNPFEDSA-N 1 3 255.365 2.229 20 30 CEEDHO C#CC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000306682619 539800378 /nfs/dbraw/zinc/80/03/78/539800378.db2.gz RWXBEDFMNLAQMR-IAGOWNOFSA-N 1 3 254.377 2.074 20 30 CEEDHO C#CC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000306682619 539800376 /nfs/dbraw/zinc/80/03/76/539800376.db2.gz RWXBEDFMNLAQMR-IAGOWNOFSA-N 1 3 254.377 2.074 20 30 CEEDHO C=CC[C@@H]1CCN(CC(O)C[N@@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625701358 350550731 /nfs/dbraw/zinc/55/07/31/350550731.db2.gz JJHQFAJVGCOYNK-HZPDHXFCSA-N 1 3 278.440 2.143 20 30 CEEDHO C=CC[C@@H]1CCN(CC(O)C[N@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625701358 350550732 /nfs/dbraw/zinc/55/07/32/350550732.db2.gz JJHQFAJVGCOYNK-HZPDHXFCSA-N 1 3 278.440 2.143 20 30 CEEDHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000579953580 366728550 /nfs/dbraw/zinc/72/85/50/366728550.db2.gz USGYKRPCNRJIBJ-BBRMVZONSA-N 1 3 257.381 2.230 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000580080974 366747594 /nfs/dbraw/zinc/74/75/94/366747594.db2.gz ZBPAQDPDBGGEFC-MSOLQXFVSA-N 1 3 299.418 2.277 20 30 CEEDHO C=C(C)[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401190 541408711 /nfs/dbraw/zinc/40/87/11/541408711.db2.gz IHDBEYHRQBBLCP-FMKPAKJESA-N 1 3 266.429 2.166 20 30 CEEDHO CN(C)[C@@H](CNC(=[NH2+])Nc1ccccn1)C1CCCCC1 ZINC000170913020 367447521 /nfs/dbraw/zinc/44/75/21/367447521.db2.gz PBYGTVOPPOXIPK-AWEZNQCLSA-N 1 3 289.427 2.319 20 30 CEEDHO C=C(CC)CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343707966 367965370 /nfs/dbraw/zinc/96/53/70/367965370.db2.gz CAZFZIDMMCRUQY-HNNXBMFYSA-N 1 3 265.445 2.053 20 30 CEEDHO C=C(CC)CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343707966 367965375 /nfs/dbraw/zinc/96/53/75/367965375.db2.gz CAZFZIDMMCRUQY-HNNXBMFYSA-N 1 3 265.445 2.053 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@@H](NCCCC#N)[C@H](C)C1 ZINC000184088184 368669454 /nfs/dbraw/zinc/66/94/54/368669454.db2.gz BRWHBDZXVGPELV-HUUCEWRRSA-N 1 3 267.417 2.017 20 30 CEEDHO CCOCCC[N@H+]1CC[C@@H](NCCCC#N)[C@H](C)C1 ZINC000184088184 368669458 /nfs/dbraw/zinc/66/94/58/368669458.db2.gz BRWHBDZXVGPELV-HUUCEWRRSA-N 1 3 267.417 2.017 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247602911 371129573 /nfs/dbraw/zinc/12/95/73/371129573.db2.gz LHHMVVBPSJEBPA-QLFBSQMISA-N 1 3 293.455 2.014 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247602911 371129580 /nfs/dbraw/zinc/12/95/80/371129580.db2.gz LHHMVVBPSJEBPA-QLFBSQMISA-N 1 3 293.455 2.014 20 30 CEEDHO CC[NH+](CC)CC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000361507675 371887523 /nfs/dbraw/zinc/88/75/23/371887523.db2.gz GHEGYEJGGVIUPK-UHFFFAOYSA-N 1 3 288.439 2.451 20 30 CEEDHO C=CCOCCN(C)CCCC[NH+]1CCCCC1 ZINC000640534909 372024019 /nfs/dbraw/zinc/02/40/19/372024019.db2.gz XGKFOFXFNSWYNT-UHFFFAOYSA-N 1 3 254.418 2.387 20 30 CEEDHO CC(C#N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309953313 376608602 /nfs/dbraw/zinc/60/86/02/376608602.db2.gz HLOZPNYGGLRYRZ-HYVNUMGLSA-N 1 3 297.402 2.127 20 30 CEEDHO CC(C#N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309953313 376608606 /nfs/dbraw/zinc/60/86/06/376608606.db2.gz HLOZPNYGGLRYRZ-HYVNUMGLSA-N 1 3 297.402 2.127 20 30 CEEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309953545 376609379 /nfs/dbraw/zinc/60/93/79/376609379.db2.gz HLOZPNYGGLRYRZ-OIISXLGYSA-N 1 3 297.402 2.127 20 30 CEEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309953545 376609383 /nfs/dbraw/zinc/60/93/83/376609383.db2.gz HLOZPNYGGLRYRZ-OIISXLGYSA-N 1 3 297.402 2.127 20 30 CEEDHO N#Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000423105556 376998604 /nfs/dbraw/zinc/99/86/04/376998604.db2.gz QSSXNZONJHGZDV-JKSUJKDBSA-N 1 3 257.381 2.208 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@H](NCC2(CC#N)CC2)[C@H](C)C1 ZINC000430744690 377546448 /nfs/dbraw/zinc/54/64/48/377546448.db2.gz VKZJIPGZMSNCOQ-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO CCOCCC[N@H+]1CC[C@H](NCC2(CC#N)CC2)[C@H](C)C1 ZINC000430744690 377546452 /nfs/dbraw/zinc/54/64/52/377546452.db2.gz VKZJIPGZMSNCOQ-CVEARBPZSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)CN(C)C ZINC000293753089 377741061 /nfs/dbraw/zinc/74/10/61/377741061.db2.gz ROGQPAJJKOJJOW-ZIAGYGMSSA-N 1 3 275.396 2.437 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437838804 377867694 /nfs/dbraw/zinc/86/76/94/377867694.db2.gz LSBLEPQWSQTDSA-OCCSQVGLSA-N 1 3 263.385 2.059 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437838804 377867698 /nfs/dbraw/zinc/86/76/98/377867698.db2.gz LSBLEPQWSQTDSA-OCCSQVGLSA-N 1 3 263.385 2.059 20 30 CEEDHO N#Cc1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000278529277 194029232 /nfs/dbraw/zinc/02/92/32/194029232.db2.gz UPRCYCYRXXVIQK-UHFFFAOYSA-N 1 3 259.353 2.115 20 30 CEEDHO CC(C#N)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000334222767 380255743 /nfs/dbraw/zinc/25/57/43/380255743.db2.gz YWPNHTGRMBHMAE-WLYUNCDWSA-N 1 3 277.412 2.305 20 30 CEEDHO N#Cc1ccccc1CSCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422989520 394875163 /nfs/dbraw/zinc/87/51/63/394875163.db2.gz MCPIITDHCPRENP-GJZGRUSLSA-N 1 3 275.421 2.261 20 30 CEEDHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423099620 394886534 /nfs/dbraw/zinc/88/65/34/394886534.db2.gz LZWKQWRAXKHUCL-CZUORRHYSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1cccc(C#N)c1 ZINC000423099620 394886536 /nfs/dbraw/zinc/88/65/36/394886536.db2.gz LZWKQWRAXKHUCL-CZUORRHYSA-N 1 3 257.381 2.078 20 30 CEEDHO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423377651 394907368 /nfs/dbraw/zinc/90/73/68/394907368.db2.gz VXLSBCXWVABRMR-IIAWOOMASA-N 1 3 255.365 2.405 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289685891 395084029 /nfs/dbraw/zinc/08/40/29/395084029.db2.gz HZISHMBYTZWCAM-USXIJHARSA-N 1 3 274.408 2.034 20 30 CEEDHO C#CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000372375547 395040496 /nfs/dbraw/zinc/04/04/96/395040496.db2.gz VYJOCWCRMZMIEX-HZPDHXFCSA-N 1 3 278.440 2.221 20 30 CEEDHO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1 ZINC000651675303 401369634 /nfs/dbraw/zinc/36/96/34/401369634.db2.gz PALJDHYJZLWTPR-WBVHZDCISA-N 1 3 279.472 2.347 20 30 CEEDHO C=CCCC[C@@H](C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154132 415663119 /nfs/dbraw/zinc/66/31/19/415663119.db2.gz WOABWIDMWRYUFO-GDBMZVCRSA-N 1 3 266.429 2.262 20 30 CEEDHO C=CCCC[C@@H](C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154132 415663125 /nfs/dbraw/zinc/66/31/25/415663125.db2.gz WOABWIDMWRYUFO-GDBMZVCRSA-N 1 3 266.429 2.262 20 30 CEEDHO C=CC[C@]1(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662680424 415929042 /nfs/dbraw/zinc/92/90/42/415929042.db2.gz VAEAWRNLIZNABS-YQQAZPJKSA-N 1 3 293.455 2.064 20 30 CEEDHO C[N@@H+]1CCC[C@H](CCNCc2ccc(C#N)s2)C1 ZINC000459739196 267337389 /nfs/dbraw/zinc/33/73/89/267337389.db2.gz SJHRNXHNIVHISB-GFCCVEGCSA-N 1 3 263.410 2.441 20 30 CEEDHO C[N@H+]1CCC[C@H](CCNCc2ccc(C#N)s2)C1 ZINC000459739196 267337393 /nfs/dbraw/zinc/33/73/93/267337393.db2.gz SJHRNXHNIVHISB-GFCCVEGCSA-N 1 3 263.410 2.441 20 30 CEEDHO N#C[C@@H]1CCC[C@@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000061891805 279483500 /nfs/dbraw/zinc/48/35/00/279483500.db2.gz WVYPTRHNUINBDN-BBRMVZONSA-N 1 3 270.380 2.332 20 30 CEEDHO [NH2+]=C(NC1CCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000262537644 330020206 /nfs/dbraw/zinc/02/02/06/330020206.db2.gz QEFQAAMBYSYNKU-UHFFFAOYSA-N 1 3 286.423 2.108 20 30 CEEDHO CN1CC[NH+]=C1NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262673517 330025964 /nfs/dbraw/zinc/02/59/64/330025964.db2.gz SCOZYDHSHDBXFV-GXTWGEPZSA-N 1 3 292.452 2.022 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422834964 330156973 /nfs/dbraw/zinc/15/69/73/330156973.db2.gz ONLSNHHNKXBBJF-BRWVUGGUSA-N 1 3 279.472 2.415 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H](C)[C@@H]2CCCCN2)CC1 ZINC000422981373 330162576 /nfs/dbraw/zinc/16/25/76/330162576.db2.gz SLMWZEFNJIXNFP-HOCLYGCPSA-N 1 3 265.445 2.147 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000424335946 330343470 /nfs/dbraw/zinc/34/34/70/330343470.db2.gz XDSKYPYBZBHPGY-MWDXBVQZSA-N 1 3 293.455 2.405 20 30 CEEDHO CCOCCC[N@H+]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000424335946 330343471 /nfs/dbraw/zinc/34/34/71/330343471.db2.gz XDSKYPYBZBHPGY-MWDXBVQZSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347100189 335373439 /nfs/dbraw/zinc/37/34/39/335373439.db2.gz FHIHKIKBCJNUDT-LNRIEFBSSA-N 1 3 297.402 2.458 20 30 CEEDHO CC(C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347100189 335373440 /nfs/dbraw/zinc/37/34/40/335373440.db2.gz FHIHKIKBCJNUDT-LNRIEFBSSA-N 1 3 297.402 2.458 20 30 CEEDHO C=CCCCCCN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000740426656 574954971 /nfs/dbraw/zinc/95/49/71/574954971.db2.gz DFBKINUNWIUMBP-HNNXBMFYSA-N 1 3 254.418 2.121 20 30 CEEDHO N#Cc1ccc([C@H](O)C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000818966762 634019749 /nfs/dbraw/zinc/01/97/49/634019749.db2.gz OFVFLWCOZOANLG-GOSISDBHSA-N 1 3 299.418 2.056 20 30 CEEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000819024482 634044349 /nfs/dbraw/zinc/04/43/49/634044349.db2.gz QYOJWCBPQIFZJO-QGZVFWFLSA-N 1 3 292.398 2.489 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000876724885 650410457 /nfs/dbraw/zinc/41/04/57/650410457.db2.gz BKILYWYDOIEVME-CYBMUJFWSA-N 1 3 281.787 2.157 20 30 CEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(C)cccc1C ZINC000153322512 640461040 /nfs/dbraw/zinc/46/10/40/640461040.db2.gz HZQPHYPRNGBZSR-HNNXBMFYSA-N 1 3 288.439 2.192 20 30 CEEDHO C=CC[C@@H](C)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000878427491 651093765 /nfs/dbraw/zinc/09/37/65/651093765.db2.gz MINOOKAZXFMZQC-MRXNPFEDSA-N 1 3 279.472 2.301 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000865847925 647492245 /nfs/dbraw/zinc/49/22/45/647492245.db2.gz PSSRNYGUVAQELA-KZNAEPCWSA-N 1 3 281.403 2.242 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000865847925 647492249 /nfs/dbraw/zinc/49/22/49/647492249.db2.gz PSSRNYGUVAQELA-KZNAEPCWSA-N 1 3 281.403 2.242 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C2 ZINC000873276652 649622154 /nfs/dbraw/zinc/62/21/54/649622154.db2.gz VOICGIQXOKIRDL-OIISXLGYSA-N 1 3 269.392 2.133 20 30 CEEDHO C[C@H]1CN(CCCSCC#N)CCN1c1cc[nH+]cc1 ZINC000880263355 651412637 /nfs/dbraw/zinc/41/26/37/651412637.db2.gz WZCXEVRTHGFIRR-AWEZNQCLSA-N 1 3 290.436 2.239 20 30 CEEDHO C=CC[C@H](C)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000715051404 814926039 /nfs/dbraw/zinc/92/60/39/814926039.db2.gz CDHCQGUXOMFSHU-AXFHLTTASA-N 1 3 250.308 2.410 20 30 CEEDHO C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001271261632 805904306 /nfs/dbraw/zinc/90/43/06/805904306.db2.gz OTDXDKYKEAASQB-HOTGVXAUSA-N 1 3 295.471 2.166 20 30 CEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027917576 804341036 /nfs/dbraw/zinc/34/10/36/804341036.db2.gz CDGGDGDDQMAPRJ-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027917576 804341043 /nfs/dbraw/zinc/34/10/43/804341043.db2.gz CDGGDGDDQMAPRJ-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171596958 815202991 /nfs/dbraw/zinc/20/29/91/815202991.db2.gz SKPRRSBKHYDJIB-HNNXBMFYSA-N 1 3 295.471 2.005 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001121991744 815374981 /nfs/dbraw/zinc/37/49/81/815374981.db2.gz ZKHYUFCEKDDEIQ-HZPDHXFCSA-N 1 3 295.471 2.298 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001121991744 815374988 /nfs/dbraw/zinc/37/49/88/815374988.db2.gz ZKHYUFCEKDDEIQ-HZPDHXFCSA-N 1 3 295.471 2.298 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC001122018001 815377713 /nfs/dbraw/zinc/37/77/13/815377713.db2.gz BKWDYCHJCQMDJK-OAHLLOKOSA-N 1 3 281.444 2.038 20 30 CEEDHO C[C@H](CCCC#N)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001172493456 815453039 /nfs/dbraw/zinc/45/30/39/815453039.db2.gz SVIXCXNMVHYAJV-OAHLLOKOSA-N 1 3 286.423 2.500 20 30 CEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052378167 812984817 /nfs/dbraw/zinc/98/48/17/812984817.db2.gz SNHRVWOGOMWGLU-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001052378167 812984825 /nfs/dbraw/zinc/98/48/25/812984825.db2.gz SNHRVWOGOMWGLU-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133849599 813165684 /nfs/dbraw/zinc/16/56/84/813165684.db2.gz AJKUQAXTKKXDMP-HNNXBMFYSA-N 1 3 283.460 2.004 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133906444 813175162 /nfs/dbraw/zinc/17/51/62/813175162.db2.gz WAZGKQVYGLHQKZ-CQSZACIVSA-N 1 3 283.460 2.025 20 30 CEEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170742959 813243944 /nfs/dbraw/zinc/24/39/44/813243944.db2.gz OZNOWZFXAYCGKD-JKSUJKDBSA-N 1 3 295.471 2.310 20 30 CEEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCCNC1 ZINC001246090867 813680433 /nfs/dbraw/zinc/68/04/33/813680433.db2.gz MFVSUGROYRXBNH-CJNGLKHVSA-N 1 3 257.381 2.221 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248446 814223474 /nfs/dbraw/zinc/22/34/74/814223474.db2.gz VFWLPGMLSSZGKC-GOEBONIOSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175255812 816163478 /nfs/dbraw/zinc/16/34/78/816163478.db2.gz HIGGFUCUWCIQDF-JKSUJKDBSA-N 1 3 295.471 2.311 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753639 816472714 /nfs/dbraw/zinc/47/27/14/816472714.db2.gz JHSOADZPSULWNE-HNNXBMFYSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592733 816881618 /nfs/dbraw/zinc/88/16/18/816881618.db2.gz KYQMCOMSAYBIJL-UHFFFAOYSA-N 1 3 297.487 2.417 20 30 CEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000333346366 539323702 /nfs/dbraw/zinc/32/37/02/539323702.db2.gz USDYVKSCSAQTQA-IWCQGFGOSA-N 1 3 291.439 2.036 20 30 CEEDHO C=CCC[C@H](CC)[NH2+]CCCN1CCCN(C)CC1 ZINC000128524230 365794344 /nfs/dbraw/zinc/79/43/44/365794344.db2.gz VANDWBIXYADVCO-INIZCTEOSA-N 1 3 267.461 2.348 20 30 CEEDHO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000091617332 344168309 /nfs/dbraw/zinc/16/83/09/344168309.db2.gz SGZJYMMWGJWDPX-OAHLLOKOSA-N 1 3 295.471 2.121 20 30 CEEDHO CC[N@H+](CCCNC(=O)C(C)C#N)C1CCCCC1 ZINC000593787862 345539179 /nfs/dbraw/zinc/53/91/79/345539179.db2.gz VLPNCKBKSPFHBA-ZDUSSCGKSA-N 1 3 265.401 2.307 20 30 CEEDHO CC[N@@H+](CCCNC(=O)C(C)C#N)C1CCCCC1 ZINC000593787862 345539183 /nfs/dbraw/zinc/53/91/83/345539183.db2.gz VLPNCKBKSPFHBA-ZDUSSCGKSA-N 1 3 265.401 2.307 20 30 CEEDHO C[C@@H](CCNC(=O)C(C#N)CCc1ccccc1)[NH+](C)C ZINC000597992923 346265198 /nfs/dbraw/zinc/26/51/98/346265198.db2.gz PJWLVALARGGHHJ-GOEBONIOSA-N 1 3 287.407 2.215 20 30 CEEDHO N#Cc1ccccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000598683292 346400110 /nfs/dbraw/zinc/40/01/10/346400110.db2.gz REDFTAHRMNJEMQ-BZSNNMDCSA-N 1 3 299.418 2.277 20 30 CEEDHO C[C@H](CCNC[C@@H](O)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000598723119 346408599 /nfs/dbraw/zinc/40/85/99/346408599.db2.gz FEVMTKMFHAZRGN-CABCVRRESA-N 1 3 281.444 2.141 20 30 CEEDHO C[C@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)N1CCCCC1 ZINC000598723119 346408601 /nfs/dbraw/zinc/40/86/01/346408601.db2.gz FEVMTKMFHAZRGN-CABCVRRESA-N 1 3 281.444 2.141 20 30 CEEDHO C[NH+]1CCC([C@@H]2CCN(Cc3cccc(C#N)n3)C2)CC1 ZINC000602661939 347129643 /nfs/dbraw/zinc/12/96/43/347129643.db2.gz JIEJZSSDVBOWDD-OAHLLOKOSA-N 1 3 284.407 2.117 20 30 CEEDHO N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000404815793 233193896 /nfs/dbraw/zinc/19/38/96/233193896.db2.gz BEBYTCRWHNOTDE-UKRRQHHQSA-N 1 3 261.344 2.304 20 30 CEEDHO CCO[C@H](CC[NH+](C)C)CNCc1cccc(C#N)c1 ZINC000150973028 366609415 /nfs/dbraw/zinc/60/94/15/366609415.db2.gz KUFWIOULOFGCID-MRXNPFEDSA-N 1 3 275.396 2.005 20 30 CEEDHO C=CCCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000117881241 365129176 /nfs/dbraw/zinc/12/91/76/365129176.db2.gz NYXSLOAFTOFCJH-INIZCTEOSA-N 1 3 265.445 2.055 20 30 CEEDHO C=CCCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000117881241 365129182 /nfs/dbraw/zinc/12/91/82/365129182.db2.gz NYXSLOAFTOFCJH-INIZCTEOSA-N 1 3 265.445 2.055 20 30 CEEDHO CC(C)[C@@H](CNC(=O)C(C)C#N)[NH+]1CCC(C)CC1 ZINC000345859036 368457178 /nfs/dbraw/zinc/45/71/78/368457178.db2.gz ZLSPVWAVZPKFRC-ZIAGYGMSSA-N 1 3 265.401 2.019 20 30 CEEDHO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000186691529 369021493 /nfs/dbraw/zinc/02/14/93/369021493.db2.gz NINRYZGESYTWEH-GDBMZVCRSA-N 1 3 292.423 2.215 20 30 CEEDHO C=CCOc1cccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000635000529 369035346 /nfs/dbraw/zinc/03/53/46/369035346.db2.gz QAQRDZWWNHLGBD-UKRRQHHQSA-N 1 3 260.381 2.278 20 30 CEEDHO CN1C[C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)C[C@@H]2C1 ZINC000194536536 370048412 /nfs/dbraw/zinc/04/84/12/370048412.db2.gz HOPDPCBBJISYKW-CALCHBBNSA-N 1 3 299.418 2.363 20 30 CEEDHO CN1C[C@@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)C[C@@H]2C1 ZINC000194536536 370048414 /nfs/dbraw/zinc/04/84/14/370048414.db2.gz HOPDPCBBJISYKW-CALCHBBNSA-N 1 3 299.418 2.363 20 30 CEEDHO C=CCNC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000264080755 371965669 /nfs/dbraw/zinc/96/56/69/371965669.db2.gz HCDMSANIYJQNTN-UHFFFAOYSA-N 1 3 292.452 2.050 20 30 CEEDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(C)C#N ZINC000431550753 377651322 /nfs/dbraw/zinc/65/13/22/377651322.db2.gz PVAGZUBMPITGFC-HZSPNIEDSA-N 1 3 265.401 2.163 20 30 CEEDHO CCCNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000303866011 394480180 /nfs/dbraw/zinc/48/01/80/394480180.db2.gz CCRFQAGYGWUPFR-ZDUSSCGKSA-N 1 3 294.468 2.274 20 30 CEEDHO CCN(C)Cc1cccc(C[NH+]=C(N(C)C)N(C)C)c1 ZINC000262011799 394611556 /nfs/dbraw/zinc/61/15/56/394611556.db2.gz UIVAIOHINRLGNW-UHFFFAOYSA-N 1 3 276.428 2.118 20 30 CEEDHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(C#N)cc1F ZINC000423523681 394944927 /nfs/dbraw/zinc/94/49/27/394944927.db2.gz YZPAJKLDYMWNJF-DMDPSCGWSA-N 1 3 261.344 2.475 20 30 CEEDHO CCC[N@H+](CCN1CCN(CC)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339202073 394950755 /nfs/dbraw/zinc/95/07/55/394950755.db2.gz GQXFZPPSPUSVBI-SJORKVTESA-N 1 3 292.471 2.028 20 30 CEEDHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339202073 394950758 /nfs/dbraw/zinc/95/07/58/394950758.db2.gz GQXFZPPSPUSVBI-SJORKVTESA-N 1 3 292.471 2.028 20 30 CEEDHO C=CC[C@]1(C(=O)NCCN2CCCC[C@@H]2CC)CCC[NH2+]1 ZINC000662735350 415948551 /nfs/dbraw/zinc/94/85/51/415948551.db2.gz NBTYQYRKVFEHJF-DOTOQJQBSA-N 1 3 293.455 2.065 20 30 CEEDHO CCO[C@H](CC[NH+](C)C)CNCc1cc(C#N)cs1 ZINC000150992754 280085835 /nfs/dbraw/zinc/08/58/35/280085835.db2.gz ZRHQCMAQBZJPLM-CYBMUJFWSA-N 1 3 281.425 2.066 20 30 CEEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C#N)cc1 ZINC000150999447 280085885 /nfs/dbraw/zinc/08/58/85/280085885.db2.gz OBGKQIJKRIGJPI-MRXNPFEDSA-N 1 3 275.396 2.005 20 30 CEEDHO CN(CCC#N)c1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271830988 328197931 /nfs/dbraw/zinc/19/79/31/328197931.db2.gz ORJUVQGZAJETBL-UHFFFAOYSA-N 1 3 298.434 2.388 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422972650 330164675 /nfs/dbraw/zinc/16/46/75/330164675.db2.gz ACOWISKDQGRJCP-GOEBONIOSA-N 1 3 265.445 2.134 20 30 CEEDHO C=CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000423100757 330170142 /nfs/dbraw/zinc/17/01/42/330170142.db2.gz HISOPRPPDOHWJV-XOKHGSTOSA-N 1 3 290.407 2.093 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1NCCC[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000451683640 331039056 /nfs/dbraw/zinc/03/90/56/331039056.db2.gz SINXZYFDDBSTBN-NCOADZHNSA-N 1 3 294.439 2.023 20 30 CEEDHO C=C(C)C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000352859191 526624846 /nfs/dbraw/zinc/62/48/46/526624846.db2.gz RPPGZHKKYVVYKD-UHFFFAOYSA-N 1 3 273.424 2.494 20 30 CEEDHO C=CCCCCCN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000740426661 574954920 /nfs/dbraw/zinc/95/49/20/574954920.db2.gz DFBKINUNWIUMBP-OAHLLOKOSA-N 1 3 254.418 2.121 20 30 CEEDHO C=CC[C@H]1CC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000934460506 624507962 /nfs/dbraw/zinc/50/79/62/624507962.db2.gz JOWYVWGXRWPBDZ-INIZCTEOSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CC[C@H]1CC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000934460506 624507967 /nfs/dbraw/zinc/50/79/67/624507967.db2.gz JOWYVWGXRWPBDZ-INIZCTEOSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001026503208 628340381 /nfs/dbraw/zinc/34/03/81/628340381.db2.gz NUARGSJVIREORO-UYSNPLJNSA-N 1 3 293.455 2.064 20 30 CEEDHO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1CN(C)C ZINC000900171069 633560577 /nfs/dbraw/zinc/56/05/77/633560577.db2.gz GISRLAYSUMXKNQ-UHFFFAOYSA-N 1 3 275.396 2.195 20 30 CEEDHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(OCC#N)cc1 ZINC000817964379 633806812 /nfs/dbraw/zinc/80/68/12/633806812.db2.gz AFDUKEFBGUSCLJ-GFCCVEGCSA-N 1 3 259.353 2.121 20 30 CEEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2cccc(F)c2)CC1 ZINC000819024480 634043521 /nfs/dbraw/zinc/04/35/21/634043521.db2.gz QYOJWCBPQIFZJO-KRWDZBQOSA-N 1 3 292.398 2.489 20 30 CEEDHO C#CC[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000829810359 636935822 /nfs/dbraw/zinc/93/58/22/636935822.db2.gz OQYVWBUHJMCPFN-SFHVURJKSA-N 1 3 291.483 2.138 20 30 CEEDHO C#CC[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000829810359 636935826 /nfs/dbraw/zinc/93/58/26/636935826.db2.gz OQYVWBUHJMCPFN-SFHVURJKSA-N 1 3 291.483 2.138 20 30 CEEDHO C#C[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020685 641525502 /nfs/dbraw/zinc/52/55/02/641525502.db2.gz CYGFUOUZQLJYNX-PJHKVULZSA-N 1 3 270.420 2.233 20 30 CEEDHO C#C[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020685 641525509 /nfs/dbraw/zinc/52/55/09/641525509.db2.gz CYGFUOUZQLJYNX-PJHKVULZSA-N 1 3 270.420 2.233 20 30 CEEDHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109339 643311279 /nfs/dbraw/zinc/31/12/79/643311279.db2.gz ZPCOCHGVKXMZAM-ROUUACIJSA-N 1 3 299.418 2.009 20 30 CEEDHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000852109339 643311285 /nfs/dbraw/zinc/31/12/85/643311285.db2.gz ZPCOCHGVKXMZAM-ROUUACIJSA-N 1 3 299.418 2.009 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001271902968 806135434 /nfs/dbraw/zinc/13/54/34/806135434.db2.gz TZIWEOQJGFGHHE-HOTGVXAUSA-N 1 3 295.471 2.025 20 30 CEEDHO C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001267758910 803713668 /nfs/dbraw/zinc/71/36/68/803713668.db2.gz SILACGKKBMLGMU-MRXNPFEDSA-N 1 3 295.471 2.073 20 30 CEEDHO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001267758910 803713674 /nfs/dbraw/zinc/71/36/74/803713674.db2.gz SILACGKKBMLGMU-MRXNPFEDSA-N 1 3 295.471 2.073 20 30 CEEDHO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001268239058 804566274 /nfs/dbraw/zinc/56/62/74/804566274.db2.gz OWEGPICSOJMQRL-HNNXBMFYSA-N 1 3 295.471 2.216 20 30 CEEDHO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001268239058 804566275 /nfs/dbraw/zinc/56/62/75/804566275.db2.gz OWEGPICSOJMQRL-HNNXBMFYSA-N 1 3 295.471 2.216 20 30 CEEDHO C=CCC[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168614194 808722394 /nfs/dbraw/zinc/72/23/94/808722394.db2.gz DNHBVBQBGUYVOD-UHFFFAOYSA-N 1 3 283.460 2.171 20 30 CEEDHO C=CCN(Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306921 810084403 /nfs/dbraw/zinc/08/44/03/810084403.db2.gz WIRRNTZTDOGRST-MRXNPFEDSA-N 1 3 272.392 2.053 20 30 CEEDHO C=CCN(Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306920 810084625 /nfs/dbraw/zinc/08/46/25/810084625.db2.gz WIRRNTZTDOGRST-INIZCTEOSA-N 1 3 272.392 2.053 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712361 812450621 /nfs/dbraw/zinc/45/06/21/812450621.db2.gz HLXAJLJQAZVVSE-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712361 812450624 /nfs/dbraw/zinc/45/06/24/812450624.db2.gz HLXAJLJQAZVVSE-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134762994 813322144 /nfs/dbraw/zinc/32/21/44/813322144.db2.gz JWEUXNDZHALQTC-HOTGVXAUSA-N 1 3 295.471 2.310 20 30 CEEDHO CCc1cc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)ccc1C#N ZINC001206212575 815797174 /nfs/dbraw/zinc/79/71/74/815797174.db2.gz SAMVCQJENNUDQM-CVEARBPZSA-N 1 3 275.371 2.382 20 30 CEEDHO CCc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)ccc1C#N ZINC001206212575 815797179 /nfs/dbraw/zinc/79/71/79/815797179.db2.gz SAMVCQJENNUDQM-CVEARBPZSA-N 1 3 275.371 2.382 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCC ZINC001176283924 816377374 /nfs/dbraw/zinc/37/73/74/816377374.db2.gz AXXMCIVMSXVLFD-HNNXBMFYSA-N 1 3 283.460 2.169 20 30 CEEDHO CCCCCCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986653 816502633 /nfs/dbraw/zinc/50/26/33/816502633.db2.gz RUSCOCGBCGJXAQ-UHFFFAOYSA-N 1 3 285.476 2.393 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161226575 816816249 /nfs/dbraw/zinc/81/62/49/816816249.db2.gz JLPYVACQAWZLOI-CQSZACIVSA-N 1 3 283.460 2.167 20 30 CEEDHO N#Cc1ccc(CCN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601334986 346823712 /nfs/dbraw/zinc/82/37/12/346823712.db2.gz PSKCJFDHDYVXOE-SJORKVTESA-N 1 3 269.392 2.175 20 30 CEEDHO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]3CNCC[C@@H]32)cc1 ZINC000601334986 346823713 /nfs/dbraw/zinc/82/37/13/346823713.db2.gz PSKCJFDHDYVXOE-SJORKVTESA-N 1 3 269.392 2.175 20 30 CEEDHO N#Cc1ccc(CC[N@H+]2CCC[C@@H]3CNCC[C@@H]32)cc1 ZINC000601334986 346823714 /nfs/dbraw/zinc/82/37/14/346823714.db2.gz PSKCJFDHDYVXOE-SJORKVTESA-N 1 3 269.392 2.175 20 30 CEEDHO CC[C@H]1CN(CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595895928 345909403 /nfs/dbraw/zinc/90/94/03/345909403.db2.gz WKVJTUZRZJDCQO-JKSUJKDBSA-N 1 3 257.381 2.160 20 30 CEEDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cccc(F)c1C#N ZINC000596364426 346008293 /nfs/dbraw/zinc/00/82/93/346008293.db2.gz NWWDHMXOMYZYRF-ZDUSSCGKSA-N 1 3 292.402 2.381 20 30 CEEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cccc(F)c1C#N ZINC000596364426 346008296 /nfs/dbraw/zinc/00/82/96/346008296.db2.gz NWWDHMXOMYZYRF-ZDUSSCGKSA-N 1 3 292.402 2.381 20 30 CEEDHO CC(C)(C#N)C[C@@H](O)CNC1CC[NH+](C2CCCC2)CC1 ZINC000598725332 346409285 /nfs/dbraw/zinc/40/92/85/346409285.db2.gz NTXHRCPWUMZOKJ-MRXNPFEDSA-N 1 3 293.455 2.284 20 30 CEEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000598725332 346409286 /nfs/dbraw/zinc/40/92/86/346409286.db2.gz NTXHRCPWUMZOKJ-MRXNPFEDSA-N 1 3 293.455 2.284 20 30 CEEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2CC)CC1 ZINC000106034063 186099764 /nfs/dbraw/zinc/09/97/64/186099764.db2.gz SGLHLMGXGCRDFX-MRXNPFEDSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560533 351414870 /nfs/dbraw/zinc/41/48/70/351414870.db2.gz FOGJBVBLNYRCDX-MNOVXSKESA-N 1 3 250.308 2.412 20 30 CEEDHO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)s1 ZINC000135678938 366466363 /nfs/dbraw/zinc/46/63/63/366466363.db2.gz ACHNGPZZMCXVKP-NSHDSACASA-N 1 3 261.394 2.194 20 30 CEEDHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000118843787 365185379 /nfs/dbraw/zinc/18/53/79/365185379.db2.gz CCMLHUIQQXDNIE-MRXNPFEDSA-N 1 3 257.381 2.332 20 30 CEEDHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000118843787 365185381 /nfs/dbraw/zinc/18/53/81/365185381.db2.gz CCMLHUIQQXDNIE-MRXNPFEDSA-N 1 3 257.381 2.332 20 30 CEEDHO C=CCC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CC1 ZINC000120081260 365369457 /nfs/dbraw/zinc/36/94/57/365369457.db2.gz HZZOMQQVYRVJNO-QGZVFWFLSA-N 1 3 279.472 2.347 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]Cc1ccncc1OCCN(C)C ZINC000343942145 368083274 /nfs/dbraw/zinc/08/32/74/368083274.db2.gz UTHRJKBUJVAXFA-CQSZACIVSA-N 1 3 277.412 2.466 20 30 CEEDHO C=CCOc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346678714 368766352 /nfs/dbraw/zinc/76/63/52/368766352.db2.gz LSVHLNBSFYSPQJ-HIFRSBDPSA-N 1 3 260.381 2.421 20 30 CEEDHO C=C(CC)CN1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000358501299 371093118 /nfs/dbraw/zinc/09/31/18/371093118.db2.gz SFBLYUBVTIANBH-HNNXBMFYSA-N 1 3 254.418 2.385 20 30 CEEDHO CCN1CC[C@@H]([N@H+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562110 371924213 /nfs/dbraw/zinc/92/42/13/371924213.db2.gz AKVIHGDDTODDGE-UKRRQHHQSA-N 1 3 274.412 2.201 20 30 CEEDHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562110 371924222 /nfs/dbraw/zinc/92/42/22/371924222.db2.gz AKVIHGDDTODDGE-UKRRQHHQSA-N 1 3 274.412 2.201 20 30 CEEDHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)ccc1C#N ZINC000353640467 220213020 /nfs/dbraw/zinc/21/30/20/220213020.db2.gz GXACKNSGXZSOCD-HEHGZKQESA-N 1 3 287.407 2.385 20 30 CEEDHO C#Cc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292783992 377280658 /nfs/dbraw/zinc/28/06/58/377280658.db2.gz LQPPNTYYUWSMJX-QGZVFWFLSA-N 1 3 254.377 2.196 20 30 CEEDHO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292783992 377280661 /nfs/dbraw/zinc/28/06/61/377280661.db2.gz LQPPNTYYUWSMJX-QGZVFWFLSA-N 1 3 254.377 2.196 20 30 CEEDHO CC(C)CC[NH+]1CCC(CNC(=O)C(C)C#N)CC1 ZINC000431552105 377651801 /nfs/dbraw/zinc/65/18/01/377651801.db2.gz FFGFDHJMDYFXHD-ZDUSSCGKSA-N 1 3 265.401 2.020 20 30 CEEDHO C=CCCCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000565755904 377695226 /nfs/dbraw/zinc/69/52/26/377695226.db2.gz GMCKELADYUAFPR-QGZVFWFLSA-N 1 3 279.472 2.445 20 30 CEEDHO C=CCCCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000565755904 377695230 /nfs/dbraw/zinc/69/52/30/377695230.db2.gz GMCKELADYUAFPR-QGZVFWFLSA-N 1 3 279.472 2.445 20 30 CEEDHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(C#N)cc1 ZINC000278683316 194101762 /nfs/dbraw/zinc/10/17/62/194101762.db2.gz JXHSRYKULPNUTI-INIZCTEOSA-N 1 3 287.407 2.056 20 30 CEEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000555949325 380860732 /nfs/dbraw/zinc/86/07/32/380860732.db2.gz PVBVRBPSYNXDAG-JLSDUUJJSA-N 1 3 299.418 2.035 20 30 CEEDHO N#C[C@@H]1CC[C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000555949325 380860740 /nfs/dbraw/zinc/86/07/40/380860740.db2.gz PVBVRBPSYNXDAG-JLSDUUJJSA-N 1 3 299.418 2.035 20 30 CEEDHO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000555949325 380860743 /nfs/dbraw/zinc/86/07/43/380860743.db2.gz PVBVRBPSYNXDAG-JLSDUUJJSA-N 1 3 299.418 2.035 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000335918862 533109565 /nfs/dbraw/zinc/10/95/65/533109565.db2.gz CWGNNYWQVGXHGL-GJZGRUSLSA-N 1 3 277.412 2.117 20 30 CEEDHO COc1ccc(NC(=[NH2+])NCC(C)(C)CN(C)C)cc1 ZINC000104153639 394717627 /nfs/dbraw/zinc/71/76/27/394717627.db2.gz XNBMRDXPUWNJME-UHFFFAOYSA-N 1 3 278.400 2.010 20 30 CEEDHO C[N@@H+]1CCC[C@]2(CCN(CCCSCC#N)C2)C1 ZINC000339441655 394961100 /nfs/dbraw/zinc/96/11/00/394961100.db2.gz YSHMUKHSNIGDSJ-AWEZNQCLSA-N 1 3 267.442 2.051 20 30 CEEDHO C[N@H+]1CCC[C@]2(CCN(CCCSCC#N)C2)C1 ZINC000339441655 394961104 /nfs/dbraw/zinc/96/11/04/394961104.db2.gz YSHMUKHSNIGDSJ-AWEZNQCLSA-N 1 3 267.442 2.051 20 30 CEEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCC(C)(C)C#N ZINC000374421773 395081350 /nfs/dbraw/zinc/08/13/50/395081350.db2.gz PLGOLLANCHKGLF-OWCLPIDISA-N 1 3 293.455 2.500 20 30 CEEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)CCC#N)C1 ZINC000411309192 395326555 /nfs/dbraw/zinc/32/65/55/395326555.db2.gz QRXVVKPQCNQYLY-LSDHHAIUSA-N 1 3 267.417 2.111 20 30 CEEDHO N#Cc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239131 395455233 /nfs/dbraw/zinc/45/52/33/395455233.db2.gz DCBRDGVMNRYAMC-SFHVURJKSA-N 1 3 299.418 2.149 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309646933 414855915 /nfs/dbraw/zinc/85/59/15/414855915.db2.gz CWYQNHOGTHMCRR-GDBMZVCRSA-N 1 3 285.391 2.174 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309646933 414855919 /nfs/dbraw/zinc/85/59/19/414855919.db2.gz CWYQNHOGTHMCRR-GDBMZVCRSA-N 1 3 285.391 2.174 20 30 CEEDHO C=CCOCCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665262967 415655360 /nfs/dbraw/zinc/65/53/60/415655360.db2.gz CXLGVQMHWDOGQJ-CABCVRRESA-N 1 3 254.418 2.480 20 30 CEEDHO C=CCCC[C@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154138 415662020 /nfs/dbraw/zinc/66/20/20/415662020.db2.gz WOABWIDMWRYUFO-HOCLYGCPSA-N 1 3 266.429 2.262 20 30 CEEDHO C=CCCC[C@H](C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154138 415662021 /nfs/dbraw/zinc/66/20/21/415662021.db2.gz WOABWIDMWRYUFO-HOCLYGCPSA-N 1 3 266.429 2.262 20 30 CEEDHO C=CCN(CCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252572 415717239 /nfs/dbraw/zinc/71/72/39/415717239.db2.gz AUWNSHJIANKFRG-KRWDZBQOSA-N 1 3 286.419 2.238 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000347121208 226034000 /nfs/dbraw/zinc/03/40/00/226034000.db2.gz YVPONWKVOZLFNB-CHWSQXEVSA-N 1 3 273.380 2.392 20 30 CEEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288771325 263106095 /nfs/dbraw/zinc/10/60/95/263106095.db2.gz UXCRLGXKCOTUEF-UHFFFAOYSA-N 1 3 270.327 2.033 20 30 CEEDHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(C#N)s2)C1 ZINC000459739199 267335619 /nfs/dbraw/zinc/33/56/19/267335619.db2.gz SJHRNXHNIVHISB-LBPRGKRZSA-N 1 3 263.410 2.441 20 30 CEEDHO C[N@H+]1CCC[C@@H](CCNCc2ccc(C#N)s2)C1 ZINC000459739199 267335621 /nfs/dbraw/zinc/33/56/21/267335621.db2.gz SJHRNXHNIVHISB-LBPRGKRZSA-N 1 3 263.410 2.441 20 30 CEEDHO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CNC1 ZINC000566672604 299013192 /nfs/dbraw/zinc/01/31/92/299013192.db2.gz PAYHOLGSCWXVAO-IGEOTXOUSA-N 1 3 299.418 2.446 20 30 CEEDHO CN(C)C(=[NH2+])NCC1(N2CCCCC2)CCCCC1 ZINC000170906029 329071836 /nfs/dbraw/zinc/07/18/36/329071836.db2.gz IEYGVYSAJQTXCK-UHFFFAOYSA-N 1 3 266.433 2.052 20 30 CEEDHO CN1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@H]1c1cccs1 ZINC000262672571 330025852 /nfs/dbraw/zinc/02/58/52/330025852.db2.gz PZELAYAVIWXHBH-FZMZJTMJSA-N 1 3 292.452 2.198 20 30 CEEDHO CN1CC[NH+]=C1NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000262673519 330025971 /nfs/dbraw/zinc/02/59/71/330025971.db2.gz SCOZYDHSHDBXFV-OCCSQVGLSA-N 1 3 292.452 2.022 20 30 CEEDHO CC[NH+]=C(NCC(C)(C)N1CCC[C@@H](C)C1)NC1CC1 ZINC000263111265 330044133 /nfs/dbraw/zinc/04/41/33/330044133.db2.gz DRPJMBOHWBUSAM-CYBMUJFWSA-N 1 3 280.460 2.214 20 30 CEEDHO C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001026491719 628336504 /nfs/dbraw/zinc/33/65/04/628336504.db2.gz JUTQRDUZFPABER-UYSNPLJNSA-N 1 3 293.455 2.062 20 30 CEEDHO C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001026503207 628339984 /nfs/dbraw/zinc/33/99/84/628339984.db2.gz NUARGSJVIREORO-GPANFISMSA-N 1 3 293.455 2.064 20 30 CEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001014632880 632639279 /nfs/dbraw/zinc/63/92/79/632639279.db2.gz RYUQQKJDFGJISE-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001014632880 632639280 /nfs/dbraw/zinc/63/92/80/632639280.db2.gz RYUQQKJDFGJISE-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO N#CCOc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817916967 633775898 /nfs/dbraw/zinc/77/58/98/633775898.db2.gz BVDAAGOXWMZPPD-HOCLYGCPSA-N 1 3 273.380 2.196 20 30 CEEDHO N#CC1CCC(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000903479349 635148179 /nfs/dbraw/zinc/14/81/79/635148179.db2.gz UQQJZUOWXYHKFG-IFWUJCSASA-N 1 3 289.345 2.385 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000876914199 650483515 /nfs/dbraw/zinc/48/35/15/650483515.db2.gz CAVDZMGKMINILA-KBPBESRZSA-N 1 3 295.814 2.053 20 30 CEEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2CC)C1 ZINC000999876224 642518167 /nfs/dbraw/zinc/51/81/67/642518167.db2.gz INNVEINRXYHUHX-GPANFISMSA-N 1 3 293.455 2.016 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C2 ZINC000873276640 649622007 /nfs/dbraw/zinc/62/20/07/649622007.db2.gz VOICGIQXOKIRDL-DJIMGWMZSA-N 1 3 269.392 2.133 20 30 CEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001271447506 805959796 /nfs/dbraw/zinc/95/97/96/805959796.db2.gz KXALJUWZFIZHLB-HOTGVXAUSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCCCCC[NH2+]CCCNC(=O)CN(C)CCC ZINC001171762592 815227030 /nfs/dbraw/zinc/22/70/30/815227030.db2.gz HKZYOGMGEJWLLI-UHFFFAOYSA-N 1 3 283.460 2.171 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001273428520 811127462 /nfs/dbraw/zinc/12/74/62/811127462.db2.gz PDWFMKAWJKSWIF-HOTGVXAUSA-N 1 3 295.471 2.119 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001273428520 811127464 /nfs/dbraw/zinc/12/74/64/811127464.db2.gz PDWFMKAWJKSWIF-HOTGVXAUSA-N 1 3 295.471 2.119 20 30 CEEDHO N#Cc1cc2ccc(N[C@H](N)CCC[NH3+])cc2cc1C#N ZINC001170899688 813625850 /nfs/dbraw/zinc/62/58/50/813625850.db2.gz DMILXZONYISMTB-INIZCTEOSA-N 1 3 279.347 2.019 20 30 CEEDHO N#Cc1cc2ccc(N[C@@H](N)CCC[NH3+])cc2cc1C#N ZINC001170899693 813626494 /nfs/dbraw/zinc/62/64/94/813626494.db2.gz DMILXZONYISMTB-MRXNPFEDSA-N 1 3 279.347 2.019 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146603688 814300706 /nfs/dbraw/zinc/30/07/06/814300706.db2.gz YLMXQXNGWRVBIP-LSDHHAIUSA-N 1 3 283.460 2.166 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263422 816164687 /nfs/dbraw/zinc/16/46/87/816164687.db2.gz POSUYMOZMPMHSG-CVEARBPZSA-N 1 3 295.471 2.169 20 30 CEEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902267 816812535 /nfs/dbraw/zinc/81/25/35/816812535.db2.gz IFKMVUCATDEYGK-HOCLYGCPSA-N 1 3 293.455 2.016 20 30 CEEDHO CCCNC(=[NH2+])NC[C@H]1CCCN1CCc1ccccc1 ZINC000079917701 343994042 /nfs/dbraw/zinc/99/40/42/343994042.db2.gz JTHOWASJVRMCEV-MRXNPFEDSA-N 1 3 288.439 2.008 20 30 CEEDHO CC[C@H](CC#N)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000054183360 362517683 /nfs/dbraw/zinc/51/76/83/362517683.db2.gz XSXMOSJKZJKQAA-CYBMUJFWSA-N 1 3 258.369 2.332 20 30 CEEDHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1F ZINC000591579985 345266836 /nfs/dbraw/zinc/26/68/36/345266836.db2.gz DFXWUUXPOVZLLB-XHDPSFHLSA-N 1 3 273.355 2.490 20 30 CEEDHO C[NH+](C)CC1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602581113 347088099 /nfs/dbraw/zinc/08/80/99/347088099.db2.gz HJLWEVQLNNSZOC-UHFFFAOYSA-N 1 3 272.396 2.163 20 30 CEEDHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000597697207 346217605 /nfs/dbraw/zinc/21/76/05/346217605.db2.gz DQMLAQQRCPSXJB-PVAVHDDUSA-N 1 3 299.418 2.310 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[NH+]1CCCC1 ZINC000602593893 347092448 /nfs/dbraw/zinc/09/24/48/347092448.db2.gz QDJSLFNDWMPVAZ-OAHLLOKOSA-N 1 3 279.428 2.161 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCCC1 ZINC000602593893 347092451 /nfs/dbraw/zinc/09/24/51/347092451.db2.gz QDJSLFNDWMPVAZ-OAHLLOKOSA-N 1 3 279.428 2.161 20 30 CEEDHO C[NH+]1CCC2(CCN(Cc3cccc(C#N)c3)C2)CC1 ZINC000602876809 347234797 /nfs/dbraw/zinc/23/47/97/347234797.db2.gz BFYGSSMDODYQMK-UHFFFAOYSA-N 1 3 269.392 2.476 20 30 CEEDHO Cc1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)ccc1C#N ZINC000336510812 213386158 /nfs/dbraw/zinc/38/61/58/213386158.db2.gz RDILCXGNDJPFFU-KRWDZBQOSA-N 1 3 269.392 2.394 20 30 CEEDHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)ccc1C#N ZINC000336510812 213386162 /nfs/dbraw/zinc/38/61/62/213386162.db2.gz RDILCXGNDJPFFU-KRWDZBQOSA-N 1 3 269.392 2.394 20 30 CEEDHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cccc(C#N)c1 ZINC000271887290 191390520 /nfs/dbraw/zinc/39/05/20/191390520.db2.gz QZPUQQATVWBPEG-CYBMUJFWSA-N 1 3 255.365 2.471 20 30 CEEDHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC000271887290 191390524 /nfs/dbraw/zinc/39/05/24/191390524.db2.gz QZPUQQATVWBPEG-CYBMUJFWSA-N 1 3 255.365 2.471 20 30 CEEDHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC000271887290 191390527 /nfs/dbraw/zinc/39/05/27/191390527.db2.gz QZPUQQATVWBPEG-CYBMUJFWSA-N 1 3 255.365 2.471 20 30 CEEDHO C=C(C)CN1CCC([NH2+]C2CCN(C(C)C)CC2)CC1 ZINC000153043945 366725510 /nfs/dbraw/zinc/72/55/10/366725510.db2.gz GCJFETXRUDMJGM-UHFFFAOYSA-N 1 3 279.472 2.489 20 30 CEEDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000579953581 366729222 /nfs/dbraw/zinc/72/92/22/366729222.db2.gz USGYKRPCNRJIBJ-CJNGLKHVSA-N 1 3 257.381 2.230 20 30 CEEDHO N#Cc1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000343572300 367891344 /nfs/dbraw/zinc/89/13/44/367891344.db2.gz MRHXJBNFIDSSQQ-DLBZAZTESA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1cccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000343572300 367891351 /nfs/dbraw/zinc/89/13/51/367891351.db2.gz MRHXJBNFIDSSQQ-DLBZAZTESA-N 1 3 269.392 2.317 20 30 CEEDHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C(C)C#N ZINC000345898262 368475249 /nfs/dbraw/zinc/47/52/49/368475249.db2.gz CUPYLYSMBVYIFI-CQSZACIVSA-N 1 3 265.401 2.259 20 30 CEEDHO CN1CCC[C@]2(CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292823529 377298695 /nfs/dbraw/zinc/29/86/95/377298695.db2.gz ABYHSGJILLSTHH-KRWDZBQOSA-N 1 3 269.392 2.476 20 30 CEEDHO CN1CCC[C@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000292823529 377298700 /nfs/dbraw/zinc/29/87/00/377298700.db2.gz ABYHSGJILLSTHH-KRWDZBQOSA-N 1 3 269.392 2.476 20 30 CEEDHO C=CCN(C[C@H](O)C[N@@H+](C)CC)CC1CCCCC1 ZINC000566686343 377765643 /nfs/dbraw/zinc/76/56/43/377765643.db2.gz KFRVMCANUZYYNB-MRXNPFEDSA-N 1 3 268.445 2.367 20 30 CEEDHO C=CCN(C[C@H](O)C[N@H+](C)CC)CC1CCCCC1 ZINC000566686343 377765649 /nfs/dbraw/zinc/76/56/49/377765649.db2.gz KFRVMCANUZYYNB-MRXNPFEDSA-N 1 3 268.445 2.367 20 30 CEEDHO C=CCCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000231799184 394480383 /nfs/dbraw/zinc/48/03/83/394480383.db2.gz GVLISLBGNIXUCU-KFWWJZLASA-N 1 3 252.402 2.089 20 30 CEEDHO CC(C#N)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000345814519 395079086 /nfs/dbraw/zinc/07/90/86/395079086.db2.gz KVDIQFQARMNXSH-MGPQQGTHSA-N 1 3 265.401 2.020 20 30 CEEDHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(C#N)cc1 ZINC000181488270 395216424 /nfs/dbraw/zinc/21/64/24/395216424.db2.gz NICXPOZJZYTREX-CQSZACIVSA-N 1 3 275.396 2.177 20 30 CEEDHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(C#N)cc1 ZINC000181488270 395216430 /nfs/dbraw/zinc/21/64/30/395216430.db2.gz NICXPOZJZYTREX-CQSZACIVSA-N 1 3 275.396 2.177 20 30 CEEDHO C=CCOCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921951 395276986 /nfs/dbraw/zinc/27/69/86/395276986.db2.gz MOMMKSHTBRJQKP-YIONKMFJSA-N 1 3 252.402 2.136 20 30 CEEDHO C=CCOCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921951 395276987 /nfs/dbraw/zinc/27/69/87/395276987.db2.gz MOMMKSHTBRJQKP-YIONKMFJSA-N 1 3 252.402 2.136 20 30 CEEDHO C=CC[C@H]1CC[C@H]([NH2+]CCCN2CCN(CC)CC2)C1 ZINC000651750324 401383416 /nfs/dbraw/zinc/38/34/16/401383416.db2.gz CWIWYCIGGQCYPF-IRXDYDNUSA-N 1 3 279.472 2.348 20 30 CEEDHO N#Cc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000333631384 228207605 /nfs/dbraw/zinc/20/76/05/228207605.db2.gz AYCBYKDHCWRIOR-MSOLQXFVSA-N 1 3 299.418 2.277 20 30 CEEDHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000366691514 263132430 /nfs/dbraw/zinc/13/24/30/263132430.db2.gz BSBROURUULZYLB-NXOAAHMSSA-N 1 3 289.423 2.078 20 30 CEEDHO CN(C)C(=[NH+]CC1(N(C)C)CCCCCC1)N(C)C ZINC000263248611 330050723 /nfs/dbraw/zinc/05/07/23/330050723.db2.gz NYIDQGHFJLOHPD-UHFFFAOYSA-N 1 3 268.449 2.120 20 30 CEEDHO CN(C)C1(CNC(=[NH2+])N2CCSCC2)CCCCCC1 ZINC000263262418 330051070 /nfs/dbraw/zinc/05/10/70/330051070.db2.gz SZSNIGJBUYYMGJ-UHFFFAOYSA-N 1 3 298.500 2.005 20 30 CEEDHO C=CCN1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422860711 330157893 /nfs/dbraw/zinc/15/78/93/330157893.db2.gz MTGIENDYWYLTTG-MAUKXSAKSA-N 1 3 287.451 2.185 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423095648 330169812 /nfs/dbraw/zinc/16/98/12/330169812.db2.gz MUMPYMAWAQGYPD-XGUBFFRZSA-N 1 3 252.402 2.088 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)[C@@H]1CCCN1 ZINC000423095648 330169813 /nfs/dbraw/zinc/16/98/13/330169813.db2.gz MUMPYMAWAQGYPD-XGUBFFRZSA-N 1 3 252.402 2.088 20 30 CEEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000442793721 330784117 /nfs/dbraw/zinc/78/41/17/330784117.db2.gz OLKVOHUXCXERTF-LVQVYYBASA-N 1 3 279.428 2.158 20 30 CEEDHO CCN1CC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728711938 574468713 /nfs/dbraw/zinc/46/87/13/574468713.db2.gz RBCVMOBDQFMYPE-ZBFHGGJFSA-N 1 3 287.407 2.409 20 30 CEEDHO CC(C#N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000736673725 574794481 /nfs/dbraw/zinc/79/44/81/574794481.db2.gz XXEDAJCNHLLZFV-ZDUSSCGKSA-N 1 3 277.412 2.307 20 30 CEEDHO CCCCCCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000311398051 627651638 /nfs/dbraw/zinc/65/16/38/627651638.db2.gz ABURGBBPGKCUTH-MRXNPFEDSA-N 1 3 267.461 2.326 20 30 CEEDHO C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)N1CCCC[C@@H]1C ZINC000261972325 629406783 /nfs/dbraw/zinc/40/67/83/629406783.db2.gz DRULYSZGLHZVTI-ILXRZTDVSA-N 1 3 280.460 2.296 20 30 CEEDHO N#CC1CCC(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC1 ZINC000903461869 635127210 /nfs/dbraw/zinc/12/72/10/635127210.db2.gz YZESNTYHSBZBCF-CKUJCDMFSA-N 1 3 261.413 2.377 20 30 CEEDHO N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC1 ZINC000903461869 635127213 /nfs/dbraw/zinc/12/72/13/635127213.db2.gz YZESNTYHSBZBCF-CKUJCDMFSA-N 1 3 261.413 2.377 20 30 CEEDHO C#CCOCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000852041328 643275721 /nfs/dbraw/zinc/27/57/21/643275721.db2.gz SAHGUIGFQYIMLM-LJQANCHMSA-N 1 3 298.430 2.234 20 30 CEEDHO C#CCOCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000852041328 643275723 /nfs/dbraw/zinc/27/57/23/643275723.db2.gz SAHGUIGFQYIMLM-LJQANCHMSA-N 1 3 298.430 2.234 20 30 CEEDHO C=CC[C@@H](C)N1CC[NH2+]CCN([C@@H](C)CC=C)CC1 ZINC000923394977 643696021 /nfs/dbraw/zinc/69/60/21/643696021.db2.gz OGLXXTPPBIJHIE-IYBDPMFKSA-N 1 3 265.445 2.123 20 30 CEEDHO C=C(C)C[C@@H](CO)NC1CC[NH+](C(C)(C)C)CC1 ZINC000883390165 652452639 /nfs/dbraw/zinc/45/26/39/652452639.db2.gz HALRSJFVLVKKLU-AWEZNQCLSA-N 1 3 254.418 2.166 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001088334707 806131171 /nfs/dbraw/zinc/13/11/71/806131171.db2.gz NUFPVCCHTIJBDW-HZPDHXFCSA-N 1 3 295.471 2.264 20 30 CEEDHO C[NH+](C)C1(C)CCC(NCc2nc(C#N)cs2)CC1 ZINC000715554106 814979347 /nfs/dbraw/zinc/97/93/47/814979347.db2.gz VIZCQVOVVYOUEF-UHFFFAOYSA-N 1 3 278.425 2.367 20 30 CEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027918147 804341589 /nfs/dbraw/zinc/34/15/89/804341589.db2.gz KQUPUYDNVNKYPO-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001027918147 804341598 /nfs/dbraw/zinc/34/15/98/804341598.db2.gz KQUPUYDNVNKYPO-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1CC ZINC001269184003 805072817 /nfs/dbraw/zinc/07/28/17/805072817.db2.gz XGCUXIKAIIVLRC-HZPDHXFCSA-N 1 3 295.471 2.121 20 30 CEEDHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)nc1)C2 ZINC001172112167 815301556 /nfs/dbraw/zinc/30/15/56/815301556.db2.gz SXFQJBVIAHJQKZ-PHZGNYQRSA-N 1 3 270.380 2.058 20 30 CEEDHO C=CCCCCC[NH2+]CCCNC(=O)CN(CC)CC ZINC001168756245 809661114 /nfs/dbraw/zinc/66/11/14/809661114.db2.gz XHMAAHJUVPZCNR-UHFFFAOYSA-N 1 3 283.460 2.171 20 30 CEEDHO C#CC[N@@H+](C)CCCNCc1ccc(OC)c(Cl)c1 ZINC000392773624 813307015 /nfs/dbraw/zinc/30/70/15/813307015.db2.gz LLLAJEDNEKYDFV-UHFFFAOYSA-N 1 3 280.799 2.393 20 30 CEEDHO C#CC[N@H+](C)CCCNCc1ccc(OC)c(Cl)c1 ZINC000392773624 813307021 /nfs/dbraw/zinc/30/70/21/813307021.db2.gz LLLAJEDNEKYDFV-UHFFFAOYSA-N 1 3 280.799 2.393 20 30 CEEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134762996 813321852 /nfs/dbraw/zinc/32/18/52/813321852.db2.gz JWEUXNDZHALQTC-JKSUJKDBSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772904 813323389 /nfs/dbraw/zinc/32/33/89/813323389.db2.gz IYWFVKNPIPLTLY-ZIAGYGMSSA-N 1 3 283.460 2.166 20 30 CEEDHO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135477668 813446179 /nfs/dbraw/zinc/44/61/79/813446179.db2.gz VVNXLZGOZNWNJD-ZIAGYGMSSA-N 1 3 283.460 2.023 20 30 CEEDHO C#Cc1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001144569101 814118210 /nfs/dbraw/zinc/11/82/10/814118210.db2.gz JIJNSJQCUKVPPJ-SJORKVTESA-N 1 3 254.377 2.051 20 30 CEEDHO C#Cc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001144569101 814118217 /nfs/dbraw/zinc/11/82/17/814118217.db2.gz JIJNSJQCUKVPPJ-SJORKVTESA-N 1 3 254.377 2.051 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171360174 814660150 /nfs/dbraw/zinc/66/01/50/814660150.db2.gz XKUBQPUPDBJIKP-CVEARBPZSA-N 1 3 297.487 2.413 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001115593241 814725446 /nfs/dbraw/zinc/72/54/46/814725446.db2.gz DTJHJWFENZKZIQ-OAHLLOKOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175769974 816280729 /nfs/dbraw/zinc/28/07/29/816280729.db2.gz WYAOQCIXJFCDTF-OAHLLOKOSA-N 1 3 283.460 2.169 20 30 CEEDHO CCN1C[C@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142931581 816759377 /nfs/dbraw/zinc/75/93/77/816759377.db2.gz RZGWBENMUUXKSR-HOTGVXAUSA-N 1 3 294.402 2.423 20 30 CEEDHO C[C@H](CCC#N)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000602486725 347056266 /nfs/dbraw/zinc/05/62/66/347056266.db2.gz OYSSRKVKQLFDIL-LVQVYYBASA-N 1 3 279.428 2.110 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCNCC1 ZINC000591575922 345265414 /nfs/dbraw/zinc/26/54/14/345265414.db2.gz ZZXOEDIVJLMPNI-INIZCTEOSA-N 1 3 255.365 2.277 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(N)CCC1 ZINC000591578216 345265962 /nfs/dbraw/zinc/26/59/62/345265962.db2.gz ZHZDXPWTHFDGNX-OAHLLOKOSA-N 1 3 255.365 2.407 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000593736974 345529993 /nfs/dbraw/zinc/52/99/93/345529993.db2.gz PKIUGQVGLJUBGC-KSZLIROESA-N 1 3 299.418 2.277 20 30 CEEDHO COC[C@@H](CCC[NH3+])NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584682 345651962 /nfs/dbraw/zinc/65/19/62/345651962.db2.gz BLSQNLXGTHJZSL-MRXNPFEDSA-N 1 3 287.407 2.281 20 30 CEEDHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595889646 345907131 /nfs/dbraw/zinc/90/71/31/345907131.db2.gz AQWYQRFXEHZOIQ-XJKSGUPXSA-N 1 3 257.381 2.160 20 30 CEEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@H](O)CC(C)(C)C#N)C1 ZINC000598699644 346403087 /nfs/dbraw/zinc/40/30/87/346403087.db2.gz HFRCMRSJYISLJP-BZUAXINKSA-N 1 3 295.471 2.245 20 30 CEEDHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598699644 346403090 /nfs/dbraw/zinc/40/30/90/346403090.db2.gz HFRCMRSJYISLJP-BZUAXINKSA-N 1 3 295.471 2.245 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000602594017 347092376 /nfs/dbraw/zinc/09/23/76/347092376.db2.gz OIASMVHRDWOVOI-LSDHHAIUSA-N 1 3 279.428 2.017 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NCC[N@H+]1CC[C@H](C)C1 ZINC000602594017 347092378 /nfs/dbraw/zinc/09/23/78/347092378.db2.gz OIASMVHRDWOVOI-LSDHHAIUSA-N 1 3 279.428 2.017 20 30 CEEDHO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000602889838 347239744 /nfs/dbraw/zinc/23/97/44/347239744.db2.gz DYQCONBQWKSSCG-YOEHRIQHSA-N 1 3 287.407 2.008 20 30 CEEDHO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000602889838 347239747 /nfs/dbraw/zinc/23/97/47/347239747.db2.gz DYQCONBQWKSSCG-YOEHRIQHSA-N 1 3 287.407 2.008 20 30 CEEDHO C=CCCCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560535 351414682 /nfs/dbraw/zinc/41/46/82/351414682.db2.gz FOGJBVBLNYRCDX-QWRGUYRKSA-N 1 3 250.308 2.412 20 30 CEEDHO C=CC[N@@H+](CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000337288401 366127317 /nfs/dbraw/zinc/12/73/17/366127317.db2.gz AZZMWIZFHXXDOK-UHFFFAOYSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CC[N@H+](CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000337288401 366127324 /nfs/dbraw/zinc/12/73/24/366127324.db2.gz AZZMWIZFHXXDOK-UHFFFAOYSA-N 1 3 265.445 2.053 20 30 CEEDHO C=C(C)CN1CCC([NH2+]C2CCN(CCC)CC2)CC1 ZINC000152930645 366721480 /nfs/dbraw/zinc/72/14/80/366721480.db2.gz OHPXFLOJJWJMRM-UHFFFAOYSA-N 1 3 279.472 2.491 20 30 CEEDHO N#C[C@H]1CC[C@@H](N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336121176 365438573 /nfs/dbraw/zinc/43/85/73/365438573.db2.gz UAMLDEZHCXQLRL-JKSUJKDBSA-N 1 3 261.413 2.486 20 30 CEEDHO C=C(CC)CN1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000358501303 371092861 /nfs/dbraw/zinc/09/28/61/371092861.db2.gz SFBLYUBVTIANBH-OAHLLOKOSA-N 1 3 254.418 2.385 20 30 CEEDHO CCc1cccc(NC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000264090210 371967555 /nfs/dbraw/zinc/96/75/55/371967555.db2.gz KQDGGIGTNIFJSJ-OAHLLOKOSA-N 1 3 274.412 2.460 20 30 CEEDHO N#Cc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000268964451 394704935 /nfs/dbraw/zinc/70/49/35/394704935.db2.gz KLDDRUZQIVDUCY-QZTJIDSGSA-N 1 3 299.418 2.026 20 30 CEEDHO CNC(NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1)=[NH+]C ZINC000363585593 394880929 /nfs/dbraw/zinc/88/09/29/394880929.db2.gz JQDHGNIEFZQZSV-GXTWGEPZSA-N 1 3 294.830 2.128 20 30 CEEDHO C=CCOCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338954346 394934075 /nfs/dbraw/zinc/93/40/75/394934075.db2.gz NUEDAZPPZSYJTA-HOTGVXAUSA-N 1 3 296.455 2.010 20 30 CEEDHO CC[NH+](CC)[C@@H](CNC(=O)C(C)C#N)CC(C)C ZINC000345493070 395067591 /nfs/dbraw/zinc/06/75/91/395067591.db2.gz VHIHBIRKKSGKIR-QWHCGFSZSA-N 1 3 253.390 2.019 20 30 CEEDHO CC[NH+](CC)[C@H](CNC(=O)C(C)C#N)CC(C)C ZINC000345493072 395067708 /nfs/dbraw/zinc/06/77/08/395067708.db2.gz VHIHBIRKKSGKIR-STQMWFEESA-N 1 3 253.390 2.019 20 30 CEEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCC(C)(C)C#N ZINC000374421772 395081719 /nfs/dbraw/zinc/08/17/19/395081719.db2.gz PLGOLLANCHKGLF-OAGGEKHMSA-N 1 3 293.455 2.500 20 30 CEEDHO C=C(CNC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000346774681 395105529 /nfs/dbraw/zinc/10/55/29/395105529.db2.gz GFSBADGEWAWSMR-UHFFFAOYSA-N 1 3 274.408 2.400 20 30 CEEDHO N#Cc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248622 395455909 /nfs/dbraw/zinc/45/59/09/395455909.db2.gz NKZVEXXQUHGAPY-GOSISDBHSA-N 1 3 299.418 2.149 20 30 CEEDHO C=CCCCCCN(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000150890770 400281350 /nfs/dbraw/zinc/28/13/50/400281350.db2.gz KGYYUGNQVGETOO-UHFFFAOYSA-N 1 3 295.471 2.265 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000285610770 196342850 /nfs/dbraw/zinc/34/28/50/196342850.db2.gz VVIDLOPIVFRTCJ-WFFDWFOESA-N 1 3 299.418 2.149 20 30 CEEDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000285610770 196342852 /nfs/dbraw/zinc/34/28/52/196342852.db2.gz VVIDLOPIVFRTCJ-WFFDWFOESA-N 1 3 299.418 2.149 20 30 CEEDHO C=CCOCCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000665263833 415659623 /nfs/dbraw/zinc/65/96/23/415659623.db2.gz VVTMKSNMSBZEQM-ZBFHGGJFSA-N 1 3 262.397 2.127 20 30 CEEDHO C=CC[C@@]1(C(=O)Nc2cccc(CN(C)C)c2)CCC[NH2+]1 ZINC000662684473 415930978 /nfs/dbraw/zinc/93/09/78/415930978.db2.gz ZQAUSPIJYIAYCO-KRWDZBQOSA-N 1 3 287.407 2.385 20 30 CEEDHO CC[N@@H+]1CC[C@H](N(C)CCCSCC#N)C[C@@H]1C ZINC000336707753 262382087 /nfs/dbraw/zinc/38/20/87/262382087.db2.gz IUYKGFPIFLMSGA-KBPBESRZSA-N 1 3 269.458 2.438 20 30 CEEDHO CC[N@H+]1CC[C@H](N(C)CCCSCC#N)C[C@@H]1C ZINC000336707753 262382088 /nfs/dbraw/zinc/38/20/88/262382088.db2.gz IUYKGFPIFLMSGA-KBPBESRZSA-N 1 3 269.458 2.438 20 30 CEEDHO C=C(C)CNC(=[NH2+])NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000370161401 267295991 /nfs/dbraw/zinc/29/59/91/267295991.db2.gz KFTWPDFXTVEBNL-OCCSQVGLSA-N 1 3 292.452 2.431 20 30 CEEDHO C=C(C)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304993 329073727 /nfs/dbraw/zinc/07/37/27/329073727.db2.gz XMTJTSLSJACSBM-GASCZTMLSA-N 1 3 266.429 2.384 20 30 CEEDHO C=C[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987830 330162939 /nfs/dbraw/zinc/16/29/39/330162939.db2.gz HLLYVCDDOFRMHJ-DUVNUKRYSA-N 1 3 258.365 2.406 20 30 CEEDHO C=CCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000423100755 330170103 /nfs/dbraw/zinc/17/01/03/330170103.db2.gz HISOPRPPDOHWJV-KBRIMQKVSA-N 1 3 290.407 2.093 20 30 CEEDHO C[NH2+]CCNC1CCC(C#N)(c2ccccc2)CC1 ZINC000423222989 330179731 /nfs/dbraw/zinc/17/97/31/330179731.db2.gz DLFWCVCIKLCPEF-UHFFFAOYSA-N 1 3 257.381 2.200 20 30 CEEDHO C=C(C)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000351979000 526442626 /nfs/dbraw/zinc/44/26/26/526442626.db2.gz FSRDKEYTVYRMCA-UHFFFAOYSA-N 1 3 279.472 2.302 20 30 CEEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000764504885 574598355 /nfs/dbraw/zinc/59/83/55/574598355.db2.gz FYJSESVKTGDFDI-OAHLLOKOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(CN(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000764504885 574598356 /nfs/dbraw/zinc/59/83/56/574598356.db2.gz FYJSESVKTGDFDI-OAHLLOKOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC000970176606 613348932 /nfs/dbraw/zinc/34/89/32/613348932.db2.gz DXOIRAKYKQFMMN-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C#C[C@H](C)N(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000775184001 628040857 /nfs/dbraw/zinc/04/08/57/628040857.db2.gz RNQGWIGBXICZHB-AWEZNQCLSA-N 1 3 260.381 2.081 20 30 CEEDHO CCCNC(=[NH2+])NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000162459408 628303376 /nfs/dbraw/zinc/30/33/76/628303376.db2.gz RRICRSXBQRMRJV-QGZVFWFLSA-N 1 3 288.439 2.355 20 30 CEEDHO C[C@H](C#N)Oc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000809729294 632133492 /nfs/dbraw/zinc/13/34/92/632133492.db2.gz DHLLHDJHGIZTRT-CQSZACIVSA-N 1 3 275.396 2.361 20 30 CEEDHO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000809729294 632133494 /nfs/dbraw/zinc/13/34/94/632133494.db2.gz DHLLHDJHGIZTRT-CQSZACIVSA-N 1 3 275.396 2.361 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911708866 638385795 /nfs/dbraw/zinc/38/57/95/638385795.db2.gz YSZQQTIJCNECGB-HUUCEWRRSA-N 1 3 283.460 2.180 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787138 638412060 /nfs/dbraw/zinc/41/20/60/638412060.db2.gz NVTVKTMKAOYWFE-OAHLLOKOSA-N 1 3 283.460 2.275 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000876774479 650428060 /nfs/dbraw/zinc/42/80/60/650428060.db2.gz XHSMWRYRTBYCTB-CYBMUJFWSA-N 1 3 295.814 2.465 20 30 CEEDHO C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001002793180 642836341 /nfs/dbraw/zinc/83/63/41/642836341.db2.gz WSAZZIOZWACLCS-MRXNPFEDSA-N 1 3 293.455 2.016 20 30 CEEDHO N#Cc1cc(Cl)cc(CN2CC[C@H](CC[NH3+])C2)c1 ZINC000923480441 643731236 /nfs/dbraw/zinc/73/12/36/643731236.db2.gz YOBVXIOIRGHVFZ-NSHDSACASA-N 1 3 263.772 2.382 20 30 CEEDHO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001267233196 803264448 /nfs/dbraw/zinc/26/44/48/803264448.db2.gz RTZXGNKVUHTKCR-JKSUJKDBSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001267233196 803264454 /nfs/dbraw/zinc/26/44/54/803264454.db2.gz RTZXGNKVUHTKCR-JKSUJKDBSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099200291 807661300 /nfs/dbraw/zinc/66/13/00/807661300.db2.gz ZAOZJOZQGQFYFR-OAHLLOKOSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001272777408 808654347 /nfs/dbraw/zinc/65/43/47/808654347.db2.gz HSDASRMSIFZCSB-BZUAXINKSA-N 1 3 295.471 2.023 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001034736173 809678808 /nfs/dbraw/zinc/67/88/08/809678808.db2.gz RSUTZHAMSGEQDA-BZUAXINKSA-N 1 3 293.455 2.064 20 30 CEEDHO C#CC1(NC2CC[NH+](CCCOC)CC2)CCCCC1 ZINC001172249564 815359229 /nfs/dbraw/zinc/35/92/29/815359229.db2.gz OEFWRHIPHIJCIU-UHFFFAOYSA-N 1 3 278.440 2.413 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC001121987620 815374282 /nfs/dbraw/zinc/37/42/82/815374282.db2.gz DFYQDJVFESEHFD-HNNXBMFYSA-N 1 3 281.444 2.003 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001122002871 815376807 /nfs/dbraw/zinc/37/68/07/815376807.db2.gz LNKNIBIVZGMAPT-ZNMIVQPWSA-N 1 3 281.444 2.001 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001122002871 815376811 /nfs/dbraw/zinc/37/68/11/815376811.db2.gz LNKNIBIVZGMAPT-ZNMIVQPWSA-N 1 3 281.444 2.001 20 30 CEEDHO C[C@H](CCCC#N)[N@@H+]1Cc2ccccc2C[C@@H]1CN ZINC001172487328 815430585 /nfs/dbraw/zinc/43/05/85/815430585.db2.gz ARTMXLJDWFVFPI-CZUORRHYSA-N 1 3 257.381 2.454 20 30 CEEDHO C[C@H](CCCC#N)[N@H+]1Cc2ccccc2C[C@@H]1CN ZINC001172487328 815430591 /nfs/dbraw/zinc/43/05/91/815430591.db2.gz ARTMXLJDWFVFPI-CZUORRHYSA-N 1 3 257.381 2.454 20 30 CEEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435386 812849909 /nfs/dbraw/zinc/84/99/09/812849909.db2.gz CKNXRBWBINOMKO-HZPDHXFCSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)CN1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435386 812849919 /nfs/dbraw/zinc/84/99/19/812849919.db2.gz CKNXRBWBINOMKO-HZPDHXFCSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136035310 813590758 /nfs/dbraw/zinc/59/07/58/813590758.db2.gz MTDCALQEUQKXES-QWHCGFSZSA-N 1 3 292.427 2.100 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136035311 813590800 /nfs/dbraw/zinc/59/08/00/813590800.db2.gz MTDCALQEUQKXES-STQMWFEESA-N 1 3 292.427 2.100 20 30 CEEDHO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246026625 813664644 /nfs/dbraw/zinc/66/46/44/813664644.db2.gz WLJSLQRIOSHSQR-IAGOWNOFSA-N 1 3 298.471 2.050 20 30 CEEDHO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246026625 813664651 /nfs/dbraw/zinc/66/46/51/813664651.db2.gz WLJSLQRIOSHSQR-IAGOWNOFSA-N 1 3 298.471 2.050 20 30 CEEDHO C=CCOC1CCC(NC[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246106903 813699812 /nfs/dbraw/zinc/69/98/12/813699812.db2.gz QLDKCPYMIZCTDG-YHNBSYBMSA-N 1 3 266.429 2.478 20 30 CEEDHO C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039589 814215842 /nfs/dbraw/zinc/21/58/42/814215842.db2.gz SYOOCOUKUJUMEP-FHERZECASA-N 1 3 295.471 2.166 20 30 CEEDHO C#CCOc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001138560164 815829838 /nfs/dbraw/zinc/82/98/38/815829838.db2.gz KHLKPYULJIZULI-UHFFFAOYSA-N 1 3 284.403 2.226 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175769973 816280667 /nfs/dbraw/zinc/28/06/67/816280667.db2.gz WYAOQCIXJFCDTF-HNNXBMFYSA-N 1 3 283.460 2.169 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753640 816472948 /nfs/dbraw/zinc/47/29/48/816472948.db2.gz JHSOADZPSULWNE-OAHLLOKOSA-N 1 3 283.460 2.167 20 30 CEEDHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748865 361929045 /nfs/dbraw/zinc/92/90/45/361929045.db2.gz ZVOPWJSXNWXECR-WWGRRREGSA-N 1 3 257.381 2.377 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000601707153 346883781 /nfs/dbraw/zinc/88/37/81/346883781.db2.gz WJPVJIMEZGAVBC-YCPHGPKFSA-N 1 3 285.391 2.030 20 30 CEEDHO CC(C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000601707153 346883783 /nfs/dbraw/zinc/88/37/83/346883783.db2.gz WJPVJIMEZGAVBC-YCPHGPKFSA-N 1 3 285.391 2.030 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(N)CCC1 ZINC000591578215 345266100 /nfs/dbraw/zinc/26/61/00/345266100.db2.gz ZHZDXPWTHFDGNX-HNNXBMFYSA-N 1 3 255.365 2.407 20 30 CEEDHO N#CCc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000592470744 345358137 /nfs/dbraw/zinc/35/81/37/345358137.db2.gz GRMNHKNBFOQOSN-JKSUJKDBSA-N 1 3 257.381 2.360 20 30 CEEDHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595889643 345907341 /nfs/dbraw/zinc/90/73/41/345907341.db2.gz AQWYQRFXEHZOIQ-CZUORRHYSA-N 1 3 257.381 2.160 20 30 CEEDHO N#Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000596653315 346073056 /nfs/dbraw/zinc/07/30/56/346073056.db2.gz ZZRFKDOZFOXNCD-JKSUJKDBSA-N 1 3 257.381 2.208 20 30 CEEDHO C[C@H](CCNC(=O)C(C#N)CCc1ccccc1)[NH+](C)C ZINC000597992922 346265091 /nfs/dbraw/zinc/26/50/91/346265091.db2.gz PJWLVALARGGHHJ-GDBMZVCRSA-N 1 3 287.407 2.215 20 30 CEEDHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598715358 346406620 /nfs/dbraw/zinc/40/66/20/346406620.db2.gz PIFDGEKGTGFRFZ-INIZCTEOSA-N 1 3 289.423 2.139 20 30 CEEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000602603202 347096389 /nfs/dbraw/zinc/09/63/89/347096389.db2.gz NAFZFCQWEXERPL-AWEZNQCLSA-N 1 3 290.411 2.051 20 30 CEEDHO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000602889835 347239449 /nfs/dbraw/zinc/23/94/49/347239449.db2.gz DYQCONBQWKSSCG-PBHICJAKSA-N 1 3 287.407 2.008 20 30 CEEDHO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000602889835 347239452 /nfs/dbraw/zinc/23/94/52/347239452.db2.gz DYQCONBQWKSSCG-PBHICJAKSA-N 1 3 287.407 2.008 20 30 CEEDHO C[NH2+]CCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000070188943 363050988 /nfs/dbraw/zinc/05/09/88/363050988.db2.gz NKELYLHWSALXHP-UHFFFAOYSA-N 1 3 257.381 2.380 20 30 CEEDHO CC(C)[NH+]1CCC(N(C)CCCSCC#N)CC1 ZINC000074989931 363430900 /nfs/dbraw/zinc/43/09/00/363430900.db2.gz YNYTXGQCRGXAQE-UHFFFAOYSA-N 1 3 269.458 2.438 20 30 CEEDHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C#N)cc1 ZINC000271863430 191375424 /nfs/dbraw/zinc/37/54/24/191375424.db2.gz KVOFPOUGKQWGAN-CYBMUJFWSA-N 1 3 255.365 2.471 20 30 CEEDHO C=C(C)CN1CCC([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000152955167 366722662 /nfs/dbraw/zinc/72/26/62/366722662.db2.gz CDWKJBRRXZEQQZ-UHFFFAOYSA-N 1 3 291.483 2.491 20 30 CEEDHO CC[NH2+]CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000113655922 364908352 /nfs/dbraw/zinc/90/83/52/364908352.db2.gz NOEHKHYOVTYHHO-UHFFFAOYSA-N 1 3 257.381 2.380 20 30 CEEDHO CCN1CC[C@H]([N@H+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562108 371924997 /nfs/dbraw/zinc/92/49/97/371924997.db2.gz AKVIHGDDTODDGE-HIFRSBDPSA-N 1 3 274.412 2.201 20 30 CEEDHO CCN1CC[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000361562108 371925003 /nfs/dbraw/zinc/92/50/03/371925003.db2.gz AKVIHGDDTODDGE-HIFRSBDPSA-N 1 3 274.412 2.201 20 30 CEEDHO CC1CCN(C(=[NH2+])NCc2cccc(CN(C)C)c2)CC1 ZINC000264085160 371966769 /nfs/dbraw/zinc/96/67/69/371966769.db2.gz JABFHZOFGXOPND-UHFFFAOYSA-N 1 3 288.439 2.295 20 30 CEEDHO CC#CC[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000641767776 372707519 /nfs/dbraw/zinc/70/75/19/372707519.db2.gz QWWLXVCSZHPGAJ-INIZCTEOSA-N 1 3 278.440 2.147 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000430719937 377545216 /nfs/dbraw/zinc/54/52/16/377545216.db2.gz HIUJCKZOFWZRJW-CVEARBPZSA-N 1 3 293.455 2.051 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000436291276 377821595 /nfs/dbraw/zinc/82/15/95/377821595.db2.gz PUJLMLBPLIRNTE-QXSJWSMHSA-N 1 3 264.413 2.184 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436291276 377821600 /nfs/dbraw/zinc/82/16/00/377821600.db2.gz PUJLMLBPLIRNTE-QXSJWSMHSA-N 1 3 264.413 2.184 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000436291276 377821606 /nfs/dbraw/zinc/82/16/06/377821606.db2.gz PUJLMLBPLIRNTE-QXSJWSMHSA-N 1 3 264.413 2.184 20 30 CEEDHO C=CCC[C@@H](CO)NC1CC[NH+](C(C)(C)C)CC1 ZINC000449701380 378221315 /nfs/dbraw/zinc/22/13/15/378221315.db2.gz WCNZOJDJJWLGCJ-AWEZNQCLSA-N 1 3 254.418 2.166 20 30 CEEDHO C#CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290377267 395101067 /nfs/dbraw/zinc/10/10/67/395101067.db2.gz HWERWMHLWYMXPW-CRAIPNDOSA-N 1 3 286.419 2.471 20 30 CEEDHO C#CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290377267 395101071 /nfs/dbraw/zinc/10/10/71/395101071.db2.gz HWERWMHLWYMXPW-CRAIPNDOSA-N 1 3 286.419 2.471 20 30 CEEDHO C=C(C)CCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000351732375 395232266 /nfs/dbraw/zinc/23/22/66/395232266.db2.gz RNUHMFWUSPPYPW-UHFFFAOYSA-N 1 3 279.472 2.443 20 30 CEEDHO C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CCN(CC)CC2)C1 ZINC000651750322 401382939 /nfs/dbraw/zinc/38/29/39/401382939.db2.gz CWIWYCIGGQCYPF-DLBZAZTESA-N 1 3 279.472 2.348 20 30 CEEDHO N#Cc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000333631391 228207732 /nfs/dbraw/zinc/20/77/32/228207732.db2.gz AYCBYKDHCWRIOR-ZWKOTPCHSA-N 1 3 299.418 2.277 20 30 CEEDHO C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+](C)C ZINC000341326932 263331195 /nfs/dbraw/zinc/33/11/95/263331195.db2.gz ZALFVVPYDMLNFQ-HOCLYGCPSA-N 1 3 287.407 2.073 20 30 CEEDHO C[NH+]=C(NCCNC(C)(C)C)N1CCc2ccccc21 ZINC000086809614 330371130 /nfs/dbraw/zinc/37/11/30/330371130.db2.gz CQQSPTNRBXVJND-UHFFFAOYSA-N 1 3 274.412 2.013 20 30 CEEDHO C#CC[N@@H+](CCCN1CCN(C(C)C)CC1)C1CCCC1 ZINC000192757004 333239069 /nfs/dbraw/zinc/23/90/69/333239069.db2.gz BEBVNUCPWRQGQC-UHFFFAOYSA-N 1 3 291.483 2.280 20 30 CEEDHO C#CC[N@H+](CCCN1CCN(C(C)C)CC1)C1CCCC1 ZINC000192757004 333239071 /nfs/dbraw/zinc/23/90/71/333239071.db2.gz BEBVNUCPWRQGQC-UHFFFAOYSA-N 1 3 291.483 2.280 20 30 CEEDHO C=C(C)CCN1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949117867 613261987 /nfs/dbraw/zinc/26/19/87/613261987.db2.gz PNMFBNJBRBAUBD-UHFFFAOYSA-N 1 3 298.390 2.058 20 30 CEEDHO C=C(C)CC[NH+]1CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC000949117867 613261990 /nfs/dbraw/zinc/26/19/90/613261990.db2.gz PNMFBNJBRBAUBD-UHFFFAOYSA-N 1 3 298.390 2.058 20 30 CEEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000963158453 613347227 /nfs/dbraw/zinc/34/72/27/613347227.db2.gz YNAMDRWXKXOQAK-UYSNPLJNSA-N 1 3 293.455 2.016 20 30 CEEDHO C[NH+](C)CCC[C@@H]1CN(CC2CCC(C#N)CC2)CCO1 ZINC000931076781 628358597 /nfs/dbraw/zinc/35/85/97/628358597.db2.gz XHUIDZHDULDLSH-OFLPRAFFSA-N 1 3 293.455 2.359 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)CC2)cc1 ZINC000902469444 634685701 /nfs/dbraw/zinc/68/57/01/634685701.db2.gz QSLDBUKLFAUXBX-CGTJXYLNSA-N 1 3 296.418 2.010 20 30 CEEDHO C=C1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000898584898 632551407 /nfs/dbraw/zinc/55/14/07/632551407.db2.gz LTLZQYAQRBQOFN-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000898584898 632551409 /nfs/dbraw/zinc/55/14/09/632551409.db2.gz LTLZQYAQRBQOFN-HNNXBMFYSA-N 1 3 295.471 2.121 20 30 CEEDHO N#Cc1ccc2c(c1)CN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932614 635358646 /nfs/dbraw/zinc/35/86/46/635358646.db2.gz TUUDWGYDBZLHQL-FUCXHRTASA-N 1 3 267.376 2.404 20 30 CEEDHO C=CCCC(C)(C)[NH2+]C[C@H](CN)Cc1cnn(C)c1C ZINC000903933825 635359289 /nfs/dbraw/zinc/35/92/89/635359289.db2.gz WHOCHRLMUQBWFP-AWEZNQCLSA-N 1 3 278.444 2.180 20 30 CEEDHO C[NH+]1CCC(CCNCc2cc(C#N)cnc2Cl)CC1 ZINC000877020573 650533611 /nfs/dbraw/zinc/53/36/11/650533611.db2.gz YOHSJVFJBDHYQR-UHFFFAOYSA-N 1 3 292.814 2.428 20 30 CEEDHO C#CC[N@@H+](C)CCCNCc1ccc(OC)c(OCC)c1 ZINC000328254383 640760407 /nfs/dbraw/zinc/76/04/07/640760407.db2.gz JUZHTXDGPNHVMU-UHFFFAOYSA-N 1 3 290.407 2.139 20 30 CEEDHO C#CC[N@H+](C)CCCNCc1ccc(OC)c(OCC)c1 ZINC000328254383 640760412 /nfs/dbraw/zinc/76/04/12/640760412.db2.gz JUZHTXDGPNHVMU-UHFFFAOYSA-N 1 3 290.407 2.139 20 30 CEEDHO C=C(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000072592372 641942574 /nfs/dbraw/zinc/94/25/74/641942574.db2.gz SGDZMZVECMFQFV-UHFFFAOYSA-N 1 3 286.423 2.131 20 30 CEEDHO CC(C)(C)[NH+]1CCC(NC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000857234388 644865765 /nfs/dbraw/zinc/86/57/65/644865765.db2.gz JXLZOIJDCBBTAL-AWEZNQCLSA-N 1 3 281.444 2.140 20 30 CEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038240507 803177367 /nfs/dbraw/zinc/17/73/67/803177367.db2.gz QJNPYOBIOBZFSF-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038240507 803177369 /nfs/dbraw/zinc/17/73/69/803177369.db2.gz QJNPYOBIOBZFSF-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCSCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693710619 803248663 /nfs/dbraw/zinc/24/86/63/803248663.db2.gz CVFZXWCDHWLIHW-FRRDWIJNSA-N 1 3 254.443 2.272 20 30 CEEDHO C=CCSCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693710619 803248664 /nfs/dbraw/zinc/24/86/64/803248664.db2.gz CVFZXWCDHWLIHW-FRRDWIJNSA-N 1 3 254.443 2.272 20 30 CEEDHO C=CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1CCCCC1 ZINC001268118268 804455490 /nfs/dbraw/zinc/45/54/90/804455490.db2.gz JBLUVFZAQAMOGX-HZPDHXFCSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001268258768 804582937 /nfs/dbraw/zinc/58/29/37/804582937.db2.gz FGGFHXZYCKUTTG-MRXNPFEDSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001268258768 804582942 /nfs/dbraw/zinc/58/29/42/804582942.db2.gz FGGFHXZYCKUTTG-MRXNPFEDSA-N 1 3 295.471 2.217 20 30 CEEDHO C#CC[C@@H](CO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625148 815137163 /nfs/dbraw/zinc/13/71/63/815137163.db2.gz LZKPLWRMRCZQEC-OKYOBFRVSA-N 1 3 298.430 2.013 20 30 CEEDHO C#CC[C@@H](CO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625148 815137165 /nfs/dbraw/zinc/13/71/65/815137165.db2.gz LZKPLWRMRCZQEC-OKYOBFRVSA-N 1 3 298.430 2.013 20 30 CEEDHO C#CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716625148 815137167 /nfs/dbraw/zinc/13/71/67/815137167.db2.gz LZKPLWRMRCZQEC-OKYOBFRVSA-N 1 3 298.430 2.013 20 30 CEEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171586364 815192547 /nfs/dbraw/zinc/19/25/47/815192547.db2.gz MYUFMPVGEOWBFF-AWEZNQCLSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001034642718 809649782 /nfs/dbraw/zinc/64/97/82/809649782.db2.gz JUTQRDUZFPABER-BZUAXINKSA-N 1 3 293.455 2.062 20 30 CEEDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC001169123351 811393918 /nfs/dbraw/zinc/39/39/18/811393918.db2.gz JUGMZZNMVKBHNL-XYYAHUGASA-N 1 3 261.394 2.335 20 30 CEEDHO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475973 813447008 /nfs/dbraw/zinc/44/70/08/813447008.db2.gz HMKUDDITVGMCBT-HUUCEWRRSA-N 1 3 297.487 2.413 20 30 CEEDHO C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769576 814182931 /nfs/dbraw/zinc/18/29/31/814182931.db2.gz QJXSDEHWTWZCFU-FHERZECASA-N 1 3 295.471 2.167 20 30 CEEDHO CN1CC[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335873 815680114 /nfs/dbraw/zinc/68/01/14/815680114.db2.gz FLQHJFGMMBBJFX-FYRZTWFESA-N 1 3 261.413 2.342 20 30 CEEDHO CN1CC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335873 815680118 /nfs/dbraw/zinc/68/01/18/815680118.db2.gz FLQHJFGMMBBJFX-FYRZTWFESA-N 1 3 261.413 2.342 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175786383 816284105 /nfs/dbraw/zinc/28/41/05/816284105.db2.gz KBNLVJQTKKTOHW-OAHLLOKOSA-N 1 3 283.460 2.169 20 30 CEEDHO CCN1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602523000 347066359 /nfs/dbraw/zinc/06/63/59/347066359.db2.gz YCBDNPNJEMFBJM-LSDHHAIUSA-N 1 3 279.428 2.017 20 30 CEEDHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602523000 347066362 /nfs/dbraw/zinc/06/63/62/347066362.db2.gz YCBDNPNJEMFBJM-LSDHHAIUSA-N 1 3 279.428 2.017 20 30 CEEDHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602523000 347066365 /nfs/dbraw/zinc/06/63/65/347066365.db2.gz YCBDNPNJEMFBJM-LSDHHAIUSA-N 1 3 279.428 2.017 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCNCC3)CC2)cc1 ZINC000591578279 345266205 /nfs/dbraw/zinc/26/62/05/345266205.db2.gz LEVKNRGWPVNVLK-MRXNPFEDSA-N 1 3 298.434 2.259 20 30 CEEDHO C[NH+]1CCC(NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594920084 345702107 /nfs/dbraw/zinc/70/21/07/345702107.db2.gz RQTGAMUFJNDXAQ-UHFFFAOYSA-N 1 3 269.392 2.426 20 30 CEEDHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CC(C)(C)C#N)C[C@H]1C ZINC000598596875 346380882 /nfs/dbraw/zinc/38/08/82/346380882.db2.gz USPJGNDQXYRQTO-ILXRZTDVSA-N 1 3 281.444 2.092 20 30 CEEDHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CC(C)(C)C#N)C[C@H]1C ZINC000598596875 346380884 /nfs/dbraw/zinc/38/08/84/346380884.db2.gz USPJGNDQXYRQTO-ILXRZTDVSA-N 1 3 281.444 2.092 20 30 CEEDHO C[NH+](C)CCCC(C)(C)NCc1cccc(C#N)n1 ZINC000602684423 347144509 /nfs/dbraw/zinc/14/45/09/347144509.db2.gz YBJVHFKRZPKVEC-UHFFFAOYSA-N 1 3 260.385 2.163 20 30 CEEDHO N#C[C@H]1CC[C@H](N2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848382 347223567 /nfs/dbraw/zinc/22/35/67/347223567.db2.gz MPUORDGVBGDGGE-HOCLYGCPSA-N 1 3 270.380 2.286 20 30 CEEDHO N#C[C@@H]1CC[C@@H](N2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848380 347223749 /nfs/dbraw/zinc/22/37/49/347223749.db2.gz MPUORDGVBGDGGE-GDBMZVCRSA-N 1 3 270.380 2.286 20 30 CEEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC000106034066 186099920 /nfs/dbraw/zinc/09/99/20/186099920.db2.gz SGLHLMGXGCRDFX-INIZCTEOSA-N 1 3 293.455 2.018 20 30 CEEDHO C#CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000306682624 539800568 /nfs/dbraw/zinc/80/05/68/539800568.db2.gz RWXBEDFMNLAQMR-IRXDYDNUSA-N 1 3 254.377 2.074 20 30 CEEDHO C#CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000306682624 539800572 /nfs/dbraw/zinc/80/05/72/539800572.db2.gz RWXBEDFMNLAQMR-IRXDYDNUSA-N 1 3 254.377 2.074 20 30 CEEDHO C[C@@]1(CNC(=[NH2+])NC2CC2)CCCN1Cc1ccccc1 ZINC000153555771 366736041 /nfs/dbraw/zinc/73/60/41/366736041.db2.gz AIEXWQRWCHESTO-KRWDZBQOSA-N 1 3 286.423 2.108 20 30 CEEDHO CN(CCCC#N)[C@H]1CCC[N@H+](CCCC#N)CC1 ZINC000156990887 366840294 /nfs/dbraw/zinc/84/02/94/366840294.db2.gz QUSXEDVONRXZEG-HNNXBMFYSA-N 1 3 262.401 2.380 20 30 CEEDHO CN(CCCC#N)[C@H]1CCC[N@@H+](CCCC#N)CC1 ZINC000156990887 366840297 /nfs/dbraw/zinc/84/02/97/366840297.db2.gz QUSXEDVONRXZEG-HNNXBMFYSA-N 1 3 262.401 2.380 20 30 CEEDHO C=CCN(C)CCN(CC)CC[C@@H]1CCCC[N@@H+]1C ZINC000582406629 366907940 /nfs/dbraw/zinc/90/79/40/366907940.db2.gz XLSJHPGHLIJKCK-INIZCTEOSA-N 1 3 267.461 2.301 20 30 CEEDHO C=CCN(C)CCN(CC)CC[C@@H]1CCCC[N@H+]1C ZINC000582406629 366907943 /nfs/dbraw/zinc/90/79/43/366907943.db2.gz XLSJHPGHLIJKCK-INIZCTEOSA-N 1 3 267.461 2.301 20 30 CEEDHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343550858 367878379 /nfs/dbraw/zinc/87/83/79/367878379.db2.gz LOHYRTCRUINHMZ-INIZCTEOSA-N 1 3 257.381 2.136 20 30 CEEDHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343550858 367878383 /nfs/dbraw/zinc/87/83/83/367878383.db2.gz LOHYRTCRUINHMZ-INIZCTEOSA-N 1 3 257.381 2.136 20 30 CEEDHO C[C@@H]1CCC[N@H+](CCCCNCc2cc(C#N)n(C)c2)C1 ZINC000190772383 369650531 /nfs/dbraw/zinc/65/05/31/369650531.db2.gz SDCZTPYRGNUVMO-OAHLLOKOSA-N 1 3 288.439 2.498 20 30 CEEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2cc(C#N)n(C)c2)C1 ZINC000190772383 369650534 /nfs/dbraw/zinc/65/05/34/369650534.db2.gz SDCZTPYRGNUVMO-OAHLLOKOSA-N 1 3 288.439 2.498 20 30 CEEDHO C=C(C)CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000351759759 369651522 /nfs/dbraw/zinc/65/15/22/369651522.db2.gz STHIAOWDSVYTDV-QLFBSQMISA-N 1 3 252.402 2.136 20 30 CEEDHO CN(CCCO)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174864649 261201002 /nfs/dbraw/zinc/20/10/02/261201002.db2.gz USIGCVKTDABZHN-UHFFFAOYSA-N 1 3 281.444 2.095 20 30 CEEDHO C=CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000364226676 372698544 /nfs/dbraw/zinc/69/85/44/372698544.db2.gz ALPVHRPNOVKPIM-GJZGRUSLSA-N 1 3 266.429 2.384 20 30 CEEDHO C[NH+](C)CCOC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000353537173 220144887 /nfs/dbraw/zinc/14/48/87/220144887.db2.gz ZRLIFPKMLZTEFC-UHFFFAOYSA-N 1 3 287.407 2.101 20 30 CEEDHO C=CCCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000359101419 394741483 /nfs/dbraw/zinc/74/14/83/394741483.db2.gz IFHVHDRYSWXNJR-INIZCTEOSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000359101419 394741486 /nfs/dbraw/zinc/74/14/86/394741486.db2.gz IFHVHDRYSWXNJR-INIZCTEOSA-N 1 3 295.471 2.217 20 30 CEEDHO CC#CCN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122050889 394808332 /nfs/dbraw/zinc/80/83/32/394808332.db2.gz AVYGHQGQKCTZLU-UHFFFAOYSA-N 1 3 266.429 2.080 20 30 CEEDHO CC#CCN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000122050889 394808336 /nfs/dbraw/zinc/80/83/36/394808336.db2.gz AVYGHQGQKCTZLU-UHFFFAOYSA-N 1 3 266.429 2.080 20 30 CEEDHO C=C(C)CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000351759762 395231911 /nfs/dbraw/zinc/23/19/11/395231911.db2.gz STHIAOWDSVYTDV-SOUVJXGZSA-N 1 3 252.402 2.136 20 30 CEEDHO C[NH+](C)CCOc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442784141 395395074 /nfs/dbraw/zinc/39/50/74/395395074.db2.gz RKEQDAWLGDBQHR-HOCLYGCPSA-N 1 3 287.407 2.409 20 30 CEEDHO C=CCCn1cc(CNC2CCC(C[NH+](C)C)CC2)nn1 ZINC000657413463 414919383 /nfs/dbraw/zinc/91/93/83/414919383.db2.gz CBILRCBAQLSTDH-UHFFFAOYSA-N 1 3 291.443 2.064 20 30 CEEDHO C=CC[C@]1(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662680422 415928722 /nfs/dbraw/zinc/92/87/22/415928722.db2.gz VAEAWRNLIZNABS-BFYDXBDKSA-N 1 3 293.455 2.064 20 30 CEEDHO CC(C)N(C)Cc1ccccc1CNC(=[NH2+])N(C)C1CC1 ZINC000273318724 263015336 /nfs/dbraw/zinc/01/53/36/263015336.db2.gz FGDXADMUHBLPSR-UHFFFAOYSA-N 1 3 288.439 2.436 20 30 CEEDHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000333221430 274307574 /nfs/dbraw/zinc/30/75/74/274307574.db2.gz ACARPIAGMMJVJF-RDTXWAMCSA-N 1 3 298.434 2.115 20 30 CEEDHO C=CCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000132681236 329648238 /nfs/dbraw/zinc/64/82/38/329648238.db2.gz IBCNVNNPRHMGLB-HOTGVXAUSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CC[C@H](CO)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423019381 330165821 /nfs/dbraw/zinc/16/58/21/330165821.db2.gz VKMFZHDTNHMMKJ-SOUVJXGZSA-N 1 3 254.418 2.071 20 30 CEEDHO CC[NH+]=C(NCCNC(C)(C)C)N1CCc2ccccc21 ZINC000086809362 330371157 /nfs/dbraw/zinc/37/11/57/330371157.db2.gz PAAIMDDJEORQOU-UHFFFAOYSA-N 1 3 288.439 2.403 20 30 CEEDHO CCOCCC[N@@H+]1CC[C@@H](NCCCC#N)[C@@H](C)C1 ZINC000248444744 334302149 /nfs/dbraw/zinc/30/21/49/334302149.db2.gz BRWHBDZXVGPELV-LSDHHAIUSA-N 1 3 267.417 2.017 20 30 CEEDHO CCOCCC[N@H+]1CC[C@@H](NCCCC#N)[C@@H](C)C1 ZINC000248444744 334302150 /nfs/dbraw/zinc/30/21/50/334302150.db2.gz BRWHBDZXVGPELV-LSDHHAIUSA-N 1 3 267.417 2.017 20 30 CEEDHO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981269557 613871307 /nfs/dbraw/zinc/87/13/07/613871307.db2.gz BMAHOFAZXQCONB-LSDHHAIUSA-N 1 3 293.455 2.064 20 30 CEEDHO CCNC(NC[C@]1(N(C)C)CCC[C@H](C)C1)=[NH+]CC ZINC000066245708 625818338 /nfs/dbraw/zinc/81/83/38/625818338.db2.gz YEPPYEWWZUHTDP-ZFWWWQNUSA-N 1 3 268.449 2.072 20 30 CEEDHO CC(C)NC(=[NH2+])NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000162455055 628301906 /nfs/dbraw/zinc/30/19/06/628301906.db2.gz SQXWMFYYAVGFLO-KRWDZBQOSA-N 1 3 288.439 2.354 20 30 CEEDHO C=C(C)CNC(=[NH2+])NC[C@H]1CCCCN1CCCC ZINC000104181580 628711648 /nfs/dbraw/zinc/71/16/48/628711648.db2.gz QNPRNZHBIQHCPZ-CQSZACIVSA-N 1 3 266.433 2.121 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)CC2)cc1 ZINC000902467654 634684918 /nfs/dbraw/zinc/68/49/18/634684918.db2.gz QSLDBUKLFAUXBX-BPQIPLTHSA-N 1 3 296.418 2.010 20 30 CEEDHO C#CC[N@H+](C)CCCNc1ccnc2ccc(C)cc21 ZINC000814929464 632932766 /nfs/dbraw/zinc/93/27/66/632932766.db2.gz KSJYODMUWHOJEQ-UHFFFAOYSA-N 1 3 267.376 2.332 20 30 CEEDHO C#CC[N@@H+](C)CCCNc1ccnc2ccc(C)cc21 ZINC000814929464 632932769 /nfs/dbraw/zinc/93/27/69/632932769.db2.gz KSJYODMUWHOJEQ-UHFFFAOYSA-N 1 3 267.376 2.332 20 30 CEEDHO COc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000817916071 633774777 /nfs/dbraw/zinc/77/47/77/633774777.db2.gz ULOJAFHOYARJBZ-UKRRQHHQSA-N 1 3 273.380 2.174 20 30 CEEDHO C=CCN(Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723923 635237566 /nfs/dbraw/zinc/23/75/66/635237566.db2.gz ZJVLUADLQCPGSH-ZWKOTPCHSA-N 1 3 286.419 2.443 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911857183 638446236 /nfs/dbraw/zinc/44/62/36/638446236.db2.gz UKBPUCDQJGHKDT-IUODEOHRSA-N 1 3 275.396 2.006 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000876914202 650483408 /nfs/dbraw/zinc/48/34/08/650483408.db2.gz CAVDZMGKMINILA-ZIAGYGMSSA-N 1 3 295.814 2.053 20 30 CEEDHO C=CCCC[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167636316 803224982 /nfs/dbraw/zinc/22/49/82/803224982.db2.gz RXSCTPCAPLHQMN-MRXNPFEDSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001267233190 803263874 /nfs/dbraw/zinc/26/38/74/803263874.db2.gz RTZXGNKVUHTKCR-CVEARBPZSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001267233190 803263876 /nfs/dbraw/zinc/26/38/76/803263876.db2.gz RTZXGNKVUHTKCR-CVEARBPZSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)N1CCCCC1 ZINC001267805890 803745427 /nfs/dbraw/zinc/74/54/27/803745427.db2.gz SRVFESOQXWHQPN-OAHLLOKOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001267964141 803856826 /nfs/dbraw/zinc/85/68/26/803856826.db2.gz HMAORJVAYMXQFI-HZPDHXFCSA-N 1 3 295.471 2.119 20 30 CEEDHO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001268000355 803901473 /nfs/dbraw/zinc/90/14/73/803901473.db2.gz YRKCHHMOBMYZOO-HNNXBMFYSA-N 1 3 295.471 2.169 20 30 CEEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562382 804125173 /nfs/dbraw/zinc/12/51/73/804125173.db2.gz NUMARDCYGWVVRZ-JKSUJKDBSA-N 1 3 295.471 2.072 20 30 CEEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562382 804125180 /nfs/dbraw/zinc/12/51/80/804125180.db2.gz NUMARDCYGWVVRZ-JKSUJKDBSA-N 1 3 295.471 2.072 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001268052335 804336669 /nfs/dbraw/zinc/33/66/69/804336669.db2.gz CXMLSEWXRHHUDS-OAHLLOKOSA-N 1 3 295.471 2.167 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001269184004 805072354 /nfs/dbraw/zinc/07/23/54/805072354.db2.gz XGCUXIKAIIVLRC-JKSUJKDBSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001034659167 809654864 /nfs/dbraw/zinc/65/48/64/809654864.db2.gz NUARGSJVIREORO-JYJNAYRXSA-N 1 3 293.455 2.064 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122185574 815391506 /nfs/dbraw/zinc/39/15/06/815391506.db2.gz UYTUKVJMZOUYSR-QLFBSQMISA-N 1 3 281.444 2.027 20 30 CEEDHO C=CC[N@H+]1CCC[C@H]1c1ccc(-n2nncc2CN)cc1 ZINC001169311152 811484487 /nfs/dbraw/zinc/48/44/87/811484487.db2.gz DFWHFGGSRYPNBX-INIZCTEOSA-N 1 3 283.379 2.049 20 30 CEEDHO C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2nncc2CN)cc1 ZINC001169311152 811484494 /nfs/dbraw/zinc/48/44/94/811484494.db2.gz DFWHFGGSRYPNBX-INIZCTEOSA-N 1 3 283.379 2.049 20 30 CEEDHO CC(C)[C@H](C#N)c1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170901290 813623030 /nfs/dbraw/zinc/62/30/30/813623030.db2.gz YMAFTLOAOLXVBY-LSDHHAIUSA-N 1 3 260.385 2.385 20 30 CEEDHO CCN1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000337878500 214297467 /nfs/dbraw/zinc/29/74/67/214297467.db2.gz PVRUQFGHIAIKPP-LBPRGKRZSA-N 1 3 263.410 2.441 20 30 CEEDHO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037649377 361917836 /nfs/dbraw/zinc/91/78/36/361917836.db2.gz TWMSXEBVMUOPTP-OAHLLOKOSA-N 1 3 255.365 2.132 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000601707151 346883965 /nfs/dbraw/zinc/88/39/65/346883965.db2.gz WJPVJIMEZGAVBC-IIAWOOMASA-N 1 3 285.391 2.030 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000601707151 346883966 /nfs/dbraw/zinc/88/39/66/346883966.db2.gz WJPVJIMEZGAVBC-IIAWOOMASA-N 1 3 285.391 2.030 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000601707152 346883988 /nfs/dbraw/zinc/88/39/88/346883988.db2.gz WJPVJIMEZGAVBC-IJEWVQPXSA-N 1 3 285.391 2.030 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000601707152 346883990 /nfs/dbraw/zinc/88/39/90/346883990.db2.gz WJPVJIMEZGAVBC-IJEWVQPXSA-N 1 3 285.391 2.030 20 30 CEEDHO C[C@@H](CCC#N)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000602531374 347068843 /nfs/dbraw/zinc/06/88/43/347068843.db2.gz HQTHYDPPRWKNBU-HNNXBMFYSA-N 1 3 292.471 2.074 20 30 CEEDHO N#Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000591573259 345265398 /nfs/dbraw/zinc/26/53/98/345265398.db2.gz CEOBJZYSGQZART-GXTWGEPZSA-N 1 3 263.772 2.429 20 30 CEEDHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000579953582 366728753 /nfs/dbraw/zinc/72/87/53/366728753.db2.gz USGYKRPCNRJIBJ-CZUORRHYSA-N 1 3 257.381 2.230 20 30 CEEDHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000118843785 365184538 /nfs/dbraw/zinc/18/45/38/365184538.db2.gz CCMLHUIQQXDNIE-INIZCTEOSA-N 1 3 257.381 2.332 20 30 CEEDHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000118843785 365184545 /nfs/dbraw/zinc/18/45/45/365184545.db2.gz CCMLHUIQQXDNIE-INIZCTEOSA-N 1 3 257.381 2.332 20 30 CEEDHO CC(C#N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347753467 368818902 /nfs/dbraw/zinc/81/89/02/368818902.db2.gz LIQIVUDSLNWWTB-ZBFHGGJFSA-N 1 3 285.391 2.127 20 30 CEEDHO CC(C#N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347753467 368818913 /nfs/dbraw/zinc/81/89/13/368818913.db2.gz LIQIVUDSLNWWTB-ZBFHGGJFSA-N 1 3 285.391 2.127 20 30 CEEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398166200 375348278 /nfs/dbraw/zinc/34/82/78/375348278.db2.gz MRWMPLKTXKJKSF-IJEWVQPXSA-N 1 3 285.391 2.173 20 30 CEEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398166200 375348284 /nfs/dbraw/zinc/34/82/84/375348284.db2.gz MRWMPLKTXKJKSF-IJEWVQPXSA-N 1 3 285.391 2.173 20 30 CEEDHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CN(C)C ZINC000293753084 377741022 /nfs/dbraw/zinc/74/10/22/377741022.db2.gz ROGQPAJJKOJJOW-KGLIPLIRSA-N 1 3 275.396 2.437 20 30 CEEDHO C=CCCCC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000449165643 378198704 /nfs/dbraw/zinc/19/87/04/378198704.db2.gz WUMNLARINMUIJK-AWEZNQCLSA-N 1 3 254.418 2.168 20 30 CEEDHO N#Cc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000333864116 380166577 /nfs/dbraw/zinc/16/65/77/380166577.db2.gz QQIIYWOACDIDJS-QZTJIDSGSA-N 1 3 299.418 2.277 20 30 CEEDHO C(#CC[N@@H+]1CC[C@H](C2CC2)C1)CN1CC[C@H](C2CC2)C1 ZINC000556499297 380908370 /nfs/dbraw/zinc/90/83/70/380908370.db2.gz DNIMQLXJKKSFSO-ROUUACIJSA-N 1 3 272.436 2.454 20 30 CEEDHO C(#CC[N@H+]1CC[C@H](C2CC2)C1)CN1CC[C@H](C2CC2)C1 ZINC000556499297 380908379 /nfs/dbraw/zinc/90/83/79/380908379.db2.gz DNIMQLXJKKSFSO-ROUUACIJSA-N 1 3 272.436 2.454 20 30 CEEDHO C=CCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000338566003 394923303 /nfs/dbraw/zinc/92/33/03/394923303.db2.gz OMOUSFBUHVQGIF-UHFFFAOYSA-N 1 3 265.445 2.053 20 30 CEEDHO C=CCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000352258380 395249024 /nfs/dbraw/zinc/24/90/24/395249024.db2.gz WGWZSENIPYAJSK-GJZGRUSLSA-N 1 3 266.429 2.384 20 30 CEEDHO CC[NH+]=C(NCc1ccoc1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000179200773 395183036 /nfs/dbraw/zinc/18/30/36/395183036.db2.gz AQFAJDABGNOFSU-DZGCQCFKSA-N 1 3 292.427 2.063 20 30 CEEDHO N#CCC[C@H](C#N)CNCCCCC[NH+]1CCCC1 ZINC000573111738 395600484 /nfs/dbraw/zinc/60/04/84/395600484.db2.gz LQDJPFUBELKNHW-OAHLLOKOSA-N 1 3 262.401 2.286 20 30 CEEDHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040008 395572617 /nfs/dbraw/zinc/57/26/17/395572617.db2.gz PYLOABWVPKKNIV-RHSMWYFYSA-N 1 3 269.392 2.477 20 30 CEEDHO C[N@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000569040008 395572618 /nfs/dbraw/zinc/57/26/18/395572618.db2.gz PYLOABWVPKKNIV-RHSMWYFYSA-N 1 3 269.392 2.477 20 30 CEEDHO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1 ZINC000651675300 401369770 /nfs/dbraw/zinc/36/97/70/401369770.db2.gz PALJDHYJZLWTPR-DOTOQJQBSA-N 1 3 279.472 2.347 20 30 CEEDHO C=CC[C@]1(C(=O)Nc2cc(C)cc(CN)c2)CCC[NH2+]1 ZINC000662818895 414759108 /nfs/dbraw/zinc/75/91/08/414759108.db2.gz FETFXWMBKNKPOP-MRXNPFEDSA-N 1 3 273.380 2.091 20 30 CEEDHO C=CCOCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000658209552 415257088 /nfs/dbraw/zinc/25/70/88/415257088.db2.gz GZPSSYHQZMDNOS-UHFFFAOYSA-N 1 3 254.418 2.432 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000347093713 226046584 /nfs/dbraw/zinc/04/65/84/226046584.db2.gz BMJIXADIGVWWMK-RBSFLKMASA-N 1 3 277.412 2.259 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000347093713 226046587 /nfs/dbraw/zinc/04/65/87/226046587.db2.gz BMJIXADIGVWWMK-RBSFLKMASA-N 1 3 277.412 2.259 20 30 CEEDHO CCc1cccc(NC(=[NH2+])NC[C@@H](C)CN(C)C)c1 ZINC000291965521 263126741 /nfs/dbraw/zinc/12/67/41/263126741.db2.gz SFIDNMUEQGIUII-GFCCVEGCSA-N 1 3 262.401 2.173 20 30 CEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(C#N)cs1 ZINC000150992709 280085876 /nfs/dbraw/zinc/08/58/76/280085876.db2.gz ZRHQCMAQBZJPLM-ZDUSSCGKSA-N 1 3 281.425 2.066 20 30 CEEDHO C=CCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182589566 329243236 /nfs/dbraw/zinc/24/32/36/329243236.db2.gz PMLUNDNOEOGLOL-SJPCQFCGSA-N 1 3 277.456 2.195 20 30 CEEDHO C=CCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182589566 329243238 /nfs/dbraw/zinc/24/32/38/329243238.db2.gz PMLUNDNOEOGLOL-SJPCQFCGSA-N 1 3 277.456 2.195 20 30 CEEDHO CC(C)NC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000262417092 330008990 /nfs/dbraw/zinc/00/89/90/330008990.db2.gz QIVYDSRUQPRXBG-OCCSQVGLSA-N 1 3 294.468 2.444 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423152247 330173195 /nfs/dbraw/zinc/17/31/95/330173195.db2.gz LJQCXJZADNXHKO-FZKCQIBNSA-N 1 3 258.365 2.454 20 30 CEEDHO C=CCC[C@H](NC[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423410635 330197435 /nfs/dbraw/zinc/19/74/35/330197435.db2.gz DJWXLHOHSMDFEO-GJZGRUSLSA-N 1 3 252.402 2.089 20 30 CEEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(C)C#N ZINC000347133672 528779420 /nfs/dbraw/zinc/77/94/20/528779420.db2.gz KVCDHMZSDLAFRU-ZDUSSCGKSA-N 1 3 273.380 2.256 20 30 CEEDHO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000742206512 575010661 /nfs/dbraw/zinc/01/06/61/575010661.db2.gz HPUKYVLFXDLNET-CZUORRHYSA-N 1 3 257.381 2.378 20 30 CEEDHO C=C(C)C[NH2+]C1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001026561183 628358602 /nfs/dbraw/zinc/35/86/02/628358602.db2.gz RSUTZHAMSGEQDA-FHERZECASA-N 1 3 293.455 2.064 20 30 CEEDHO C#CCN1CCC(Nc2cc[nH+]c3ccc(OC)cc23)CC1 ZINC000895810533 630351473 /nfs/dbraw/zinc/35/14/73/630351473.db2.gz FNHMMVFBELLHQK-UHFFFAOYSA-N 1 3 295.386 2.175 20 30 CEEDHO N#CCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000817918656 633776588 /nfs/dbraw/zinc/77/65/88/633776588.db2.gz MAWYIVVZLUHUPO-CVEARBPZSA-N 1 3 273.380 2.339 20 30 CEEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000817964522 633805785 /nfs/dbraw/zinc/80/57/85/633805785.db2.gz BGARXVBXUWQYHU-WBMJQRKESA-N 1 3 258.365 2.087 20 30 CEEDHO N#CC1CCC(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000903479351 635148718 /nfs/dbraw/zinc/14/87/18/635148718.db2.gz UQQJZUOWXYHKFG-TYUFSLCMSA-N 1 3 289.345 2.385 20 30 CEEDHO C=CCCC[C@H](N)C(=O)Nc1ccccc1C[NH2+]CC ZINC000911685870 638356774 /nfs/dbraw/zinc/35/67/74/638356774.db2.gz VCCFVAVOUHGYDP-AWEZNQCLSA-N 1 3 275.396 2.418 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911708867 638385507 /nfs/dbraw/zinc/38/55/07/638385507.db2.gz YSZQQTIJCNECGB-LSDHHAIUSA-N 1 3 283.460 2.180 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000876886985 650474076 /nfs/dbraw/zinc/47/40/76/650474076.db2.gz GXBHBIKWEQRPKR-CQSZACIVSA-N 1 3 295.814 2.465 20 30 CEEDHO C=C(C)CC[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345224 806667331 /nfs/dbraw/zinc/66/73/31/806667331.db2.gz KSIPRCXLLUAEJO-UHFFFAOYSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CCCCCC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896093 813172573 /nfs/dbraw/zinc/17/25/73/813172573.db2.gz CFOHKFQOCLYEDR-UHFFFAOYSA-N 1 3 295.471 2.171 20 30 CEEDHO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001267281523 803327832 /nfs/dbraw/zinc/32/78/32/803327832.db2.gz NAGMHWXYMMYSOU-HZPDHXFCSA-N 1 3 295.471 2.119 20 30 CEEDHO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001267281523 803327841 /nfs/dbraw/zinc/32/78/41/803327841.db2.gz NAGMHWXYMMYSOU-HZPDHXFCSA-N 1 3 295.471 2.119 20 30 CEEDHO C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCN1C(C)C ZINC001269402149 805154274 /nfs/dbraw/zinc/15/42/74/805154274.db2.gz JDHPGBROOIVHBO-HZPDHXFCSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCC1 ZINC001270404006 805428167 /nfs/dbraw/zinc/42/81/67/805428167.db2.gz QTDLFSBEAKXWQZ-HOTGVXAUSA-N 1 3 295.471 2.023 20 30 CEEDHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1CCCC1 ZINC001270415282 805433527 /nfs/dbraw/zinc/43/35/27/805433527.db2.gz SCBRYFZJONJJES-HZPDHXFCSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001121991742 815374583 /nfs/dbraw/zinc/37/45/83/815374583.db2.gz ZKHYUFCEKDDEIQ-CVEARBPZSA-N 1 3 295.471 2.298 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001121991742 815374590 /nfs/dbraw/zinc/37/45/90/815374590.db2.gz ZKHYUFCEKDDEIQ-CVEARBPZSA-N 1 3 295.471 2.298 20 30 CEEDHO C=CCOC1CCC(NC[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246106888 813699293 /nfs/dbraw/zinc/69/92/93/813699293.db2.gz QLDKCPYMIZCTDG-JWMHWRSXSA-N 1 3 266.429 2.478 20 30 CEEDHO C[Si](C)(C)C#CNCc1ccccc1N1CC[NH2+]CC1 ZINC001171281517 814304385 /nfs/dbraw/zinc/30/43/85/814304385.db2.gz FZCXELWMJBMJIT-UHFFFAOYSA-N 1 3 287.483 2.024 20 30 CEEDHO CC(C)(C)[NH+]1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001256561572 814471120 /nfs/dbraw/zinc/47/11/20/814471120.db2.gz KSCLHPCQNDQMBR-UHFFFAOYSA-N 1 3 278.375 2.189 20 30 CEEDHO CN1CC=C(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336392805 365568008 /nfs/dbraw/zinc/56/80/08/365568008.db2.gz HCOVMFLFWVEZTL-KRWDZBQOSA-N 1 3 267.376 2.397 20 30 CEEDHO CC(C)[N@@H+](C)CCCN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602512788 347062739 /nfs/dbraw/zinc/06/27/39/347062739.db2.gz ZCDOKGYUPDXOAP-HNNXBMFYSA-N 1 3 281.444 2.405 20 30 CEEDHO CC(C)[N@H+](C)CCCN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602512788 347062742 /nfs/dbraw/zinc/06/27/42/347062742.db2.gz ZCDOKGYUPDXOAP-HNNXBMFYSA-N 1 3 281.444 2.405 20 30 CEEDHO CC(C)N(C)CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602512788 347062743 /nfs/dbraw/zinc/06/27/43/347062743.db2.gz ZCDOKGYUPDXOAP-HNNXBMFYSA-N 1 3 281.444 2.405 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000591578156 345266217 /nfs/dbraw/zinc/26/62/17/345266217.db2.gz BWUXMRNMJUDLCY-CVEARBPZSA-N 1 3 255.365 2.263 20 30 CEEDHO C=CCCSCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000596651891 346072010 /nfs/dbraw/zinc/07/20/10/346072010.db2.gz RLUUPQOAVJJDQF-RRFJBIMHSA-N 1 3 284.469 2.042 20 30 CEEDHO CCC[NH+]1CCC(N(C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598591976 346379462 /nfs/dbraw/zinc/37/94/62/346379462.db2.gz CXXWBWGHNWQRAV-OAHLLOKOSA-N 1 3 281.444 2.093 20 30 CEEDHO N#Cc1ccccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000598683293 346400408 /nfs/dbraw/zinc/40/04/08/346400408.db2.gz REDFTAHRMNJEMQ-KSZLIROESA-N 1 3 299.418 2.277 20 30 CEEDHO CC[NH+](CC)CC[C@H](CO)NC1CCC(C)(C#N)CC1 ZINC000603433577 347369241 /nfs/dbraw/zinc/36/92/41/347369241.db2.gz UCTZGSGAIJLWMQ-HWOWSKLDSA-N 1 3 281.444 2.141 20 30 CEEDHO C=CCN(C)CCN(CC)CC[C@H]1CCCC[N@@H+]1C ZINC000582406630 366907960 /nfs/dbraw/zinc/90/79/60/366907960.db2.gz XLSJHPGHLIJKCK-MRXNPFEDSA-N 1 3 267.461 2.301 20 30 CEEDHO C=CCN(C)CCN(CC)CC[C@H]1CCCC[N@H+]1C ZINC000582406630 366907962 /nfs/dbraw/zinc/90/79/62/366907962.db2.gz XLSJHPGHLIJKCK-MRXNPFEDSA-N 1 3 267.461 2.301 20 30 CEEDHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343550860 367878627 /nfs/dbraw/zinc/87/86/27/367878627.db2.gz LOHYRTCRUINHMZ-MRXNPFEDSA-N 1 3 257.381 2.136 20 30 CEEDHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343550860 367878635 /nfs/dbraw/zinc/87/86/35/367878635.db2.gz LOHYRTCRUINHMZ-MRXNPFEDSA-N 1 3 257.381 2.136 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374006536 374465949 /nfs/dbraw/zinc/46/59/49/374465949.db2.gz UOOQMJPMTPUMGQ-QGZVFWFLSA-N 1 3 286.423 2.199 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379720525 375155506 /nfs/dbraw/zinc/15/55/06/375155506.db2.gz ZATSMANWZBLEDG-FMKPAKJESA-N 1 3 285.391 2.315 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379720525 375155512 /nfs/dbraw/zinc/15/55/12/375155512.db2.gz ZATSMANWZBLEDG-FMKPAKJESA-N 1 3 285.391 2.315 20 30 CEEDHO C#Cc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292783991 377280063 /nfs/dbraw/zinc/28/00/63/377280063.db2.gz LQPPNTYYUWSMJX-KRWDZBQOSA-N 1 3 254.377 2.196 20 30 CEEDHO C#Cc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292783991 377280067 /nfs/dbraw/zinc/28/00/67/377280067.db2.gz LQPPNTYYUWSMJX-KRWDZBQOSA-N 1 3 254.377 2.196 20 30 CEEDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@@H](C)O1 ZINC000442793720 377996326 /nfs/dbraw/zinc/99/63/26/377996326.db2.gz OLKVOHUXCXERTF-KLHDSHLOSA-N 1 3 279.428 2.158 20 30 CEEDHO CCCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304800885 379596778 /nfs/dbraw/zinc/59/67/78/379596778.db2.gz OVGVRXUXJKSCKB-GXTWGEPZSA-N 1 3 294.468 2.445 20 30 CEEDHO N#Cc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000333864118 380166476 /nfs/dbraw/zinc/16/64/76/380166476.db2.gz QQIIYWOACDIDJS-ROUUACIJSA-N 1 3 299.418 2.277 20 30 CEEDHO C=C(C)COCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000353616947 395303238 /nfs/dbraw/zinc/30/32/38/395303238.db2.gz CFKDXUGXDVZHSL-KFWWJZLASA-N 1 3 252.402 2.042 20 30 CEEDHO C=C(C)COCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353616947 395303241 /nfs/dbraw/zinc/30/32/41/395303241.db2.gz CFKDXUGXDVZHSL-KFWWJZLASA-N 1 3 252.402 2.042 20 30 CEEDHO C=C(C)COCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353616947 395303244 /nfs/dbraw/zinc/30/32/44/395303244.db2.gz CFKDXUGXDVZHSL-KFWWJZLASA-N 1 3 252.402 2.042 20 30 CEEDHO C=C[C@H](CO)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662168803 415667483 /nfs/dbraw/zinc/66/74/83/415667483.db2.gz VPIAESFCPAMUBJ-QGZVFWFLSA-N 1 3 274.408 2.309 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000347121211 226033895 /nfs/dbraw/zinc/03/38/95/226033895.db2.gz YVPONWKVOZLFNB-OLZOCXBDSA-N 1 3 273.380 2.392 20 30 CEEDHO C[C@@H]1CCCN(CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288807551 263106252 /nfs/dbraw/zinc/10/62/52/263106252.db2.gz ZZSZCPXFZIMKOO-LLVKDONJSA-N 1 3 296.365 2.423 20 30 CEEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)CN(C)C)c1 ZINC000291909242 263126541 /nfs/dbraw/zinc/12/65/41/263126541.db2.gz LXANJVPLKNVSGK-ZDUSSCGKSA-N 1 3 262.401 2.228 20 30 CEEDHO C=CCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175484506 329168798 /nfs/dbraw/zinc/16/87/98/329168798.db2.gz JABJDBIAWPHOEB-UHFFFAOYSA-N 1 3 293.455 2.018 20 30 CEEDHO CC[NH+]=C(NCC1CCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262427126 330009779 /nfs/dbraw/zinc/00/97/79/330009779.db2.gz CXBRNRIAWIPXQR-INIZCTEOSA-N 1 3 292.471 2.312 20 30 CEEDHO CC(C#N)C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488883523 332031946 /nfs/dbraw/zinc/03/19/46/332031946.db2.gz WQEIMAIMAULSLK-AWEZNQCLSA-N 1 3 277.412 2.403 20 30 CEEDHO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000981897902 613253205 /nfs/dbraw/zinc/25/32/05/613253205.db2.gz BLRPFFJIIAAYLR-MRXNPFEDSA-N 1 3 295.471 2.073 20 30 CEEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000981897902 613253207 /nfs/dbraw/zinc/25/32/07/613253207.db2.gz BLRPFFJIIAAYLR-MRXNPFEDSA-N 1 3 295.471 2.073 20 30 CEEDHO CCN(CC)[C@H](CNC(=[NH2+])NC(C)(C)C)CC(C)C ZINC000303776199 629116496 /nfs/dbraw/zinc/11/64/96/629116496.db2.gz HQHBIXSINLJXHI-ZDUSSCGKSA-N 1 3 270.465 2.446 20 30 CEEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000817964520 633807128 /nfs/dbraw/zinc/80/71/28/633807128.db2.gz BGARXVBXUWQYHU-LRDDRELGSA-N 1 3 258.365 2.087 20 30 CEEDHO C=CC[C@H]1CCC[N@@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903933798 635359261 /nfs/dbraw/zinc/35/92/61/635359261.db2.gz VNOUTHNHCLNKGH-JKSUJKDBSA-N 1 3 290.455 2.134 20 30 CEEDHO C=CC[C@H]1CCC[N@H+](C[C@@H](CN)Cc2cnn(C)c2C)C1 ZINC000903933798 635359265 /nfs/dbraw/zinc/35/92/65/635359265.db2.gz VNOUTHNHCLNKGH-JKSUJKDBSA-N 1 3 290.455 2.134 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000876708422 650407653 /nfs/dbraw/zinc/40/76/53/650407653.db2.gz PUKJBZLMWBWDMV-CHWSQXEVSA-N 1 3 289.851 2.083 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000911691594 638360967 /nfs/dbraw/zinc/36/09/67/638360967.db2.gz CBGSZDYGJKVXKF-OAHLLOKOSA-N 1 3 283.460 2.275 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708296 638384398 /nfs/dbraw/zinc/38/43/98/638384398.db2.gz VPXKZNNGXNCDRD-LSDHHAIUSA-N 1 3 283.460 2.262 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787136 638411923 /nfs/dbraw/zinc/41/19/23/638411923.db2.gz NVTVKTMKAOYWFE-HNNXBMFYSA-N 1 3 283.460 2.275 20 30 CEEDHO c1nncn1N=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841605543 639792011 /nfs/dbraw/zinc/79/20/11/639792011.db2.gz XGLPLNGMNKXUHQ-MRXNPFEDSA-N 1 3 281.363 2.482 20 30 CEEDHO c1nncn1N=C1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841605543 639792015 /nfs/dbraw/zinc/79/20/15/639792015.db2.gz XGLPLNGMNKXUHQ-MRXNPFEDSA-N 1 3 281.363 2.482 20 30 CEEDHO C=CCCCCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849048949 642257117 /nfs/dbraw/zinc/25/71/17/642257117.db2.gz JMXJSUQLITUXGV-AWEZNQCLSA-N 1 3 266.433 2.331 20 30 CEEDHO N#Cc1ccccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000857083391 644811968 /nfs/dbraw/zinc/81/19/68/644811968.db2.gz CHJHIFHKBYSMNH-UHFFFAOYSA-N 1 3 255.365 2.134 20 30 CEEDHO C#CCCCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000878287760 651054334 /nfs/dbraw/zinc/05/43/34/651054334.db2.gz IOCQDGMVDLMRCO-GVDBMIGSSA-N 1 3 278.440 2.364 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873218309 649593791 /nfs/dbraw/zinc/59/37/91/649593791.db2.gz CEJQZUOEJVOFCD-CYBMUJFWSA-N 1 3 285.395 2.170 20 30 CEEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247759 649607891 /nfs/dbraw/zinc/60/78/91/649607891.db2.gz TZUBOFQJFDSNHB-ZIAGYGMSSA-N 1 3 299.422 2.416 20 30 CEEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001267607924 803609310 /nfs/dbraw/zinc/60/93/10/803609310.db2.gz OOVDPJUFZKNZDG-PMPSAXMXSA-N 1 3 295.471 2.262 20 30 CEEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562381 804125492 /nfs/dbraw/zinc/12/54/92/804125492.db2.gz NUMARDCYGWVVRZ-HZPDHXFCSA-N 1 3 295.471 2.072 20 30 CEEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027562381 804125495 /nfs/dbraw/zinc/12/54/95/804125495.db2.gz NUMARDCYGWVVRZ-HZPDHXFCSA-N 1 3 295.471 2.072 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879040 804313512 /nfs/dbraw/zinc/31/35/12/804313512.db2.gz LYHPPOVXBKFGMW-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027879040 804313521 /nfs/dbraw/zinc/31/35/21/804313521.db2.gz LYHPPOVXBKFGMW-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCN1CCC(C)(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001270248779 805382314 /nfs/dbraw/zinc/38/23/14/805382314.db2.gz KFHKKJSFIQLBJY-HNNXBMFYSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC001121974228 815373737 /nfs/dbraw/zinc/37/37/37/815373737.db2.gz GQRVRZYDGMMXKL-OAHLLOKOSA-N 1 3 281.444 2.052 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001122384718 815407935 /nfs/dbraw/zinc/40/79/35/815407935.db2.gz QEOJBGPNDVNUEQ-BYNSBNAKSA-N 1 3 281.444 2.073 20 30 CEEDHO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475972 813446246 /nfs/dbraw/zinc/44/62/46/813446246.db2.gz HMKUDDITVGMCBT-GJZGRUSLSA-N 1 3 297.487 2.413 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136035308 813590781 /nfs/dbraw/zinc/59/07/81/813590781.db2.gz MTDCALQEUQKXES-CHWSQXEVSA-N 1 3 292.427 2.100 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039590 814215251 /nfs/dbraw/zinc/21/52/51/814215251.db2.gz SYOOCOUKUJUMEP-QQFBHYJXSA-N 1 3 295.471 2.166 20 30 CEEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171367492 814672328 /nfs/dbraw/zinc/67/23/28/814672328.db2.gz NUBHZTMGZAOWPR-GJZGRUSLSA-N 1 3 283.460 2.023 20 30 CEEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171367491 814672343 /nfs/dbraw/zinc/67/23/43/814672343.db2.gz NUBHZTMGZAOWPR-CABCVRRESA-N 1 3 283.460 2.023 20 30 CEEDHO CCN1CC[C@H](NC(=[NH2+])c2ccc3ccccc3n2)C1 ZINC001173358567 815699444 /nfs/dbraw/zinc/69/94/44/815699444.db2.gz KITNJUWQJDUUPW-ZDUSSCGKSA-N 1 3 268.364 2.034 20 30 CEEDHO CCCCCCC[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC001174692048 816065102 /nfs/dbraw/zinc/06/51/02/816065102.db2.gz RDNWXEYBVGYYKL-UHFFFAOYSA-N 1 3 294.443 2.327 20 30 CEEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179308693 816848826 /nfs/dbraw/zinc/84/88/26/816848826.db2.gz KIZYWRQBDNWJGW-YHUYYLMFSA-N 1 3 293.455 2.014 20 30 CEEDHO N#Cc1ccc(CCN2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334983 346823660 /nfs/dbraw/zinc/82/36/60/346823660.db2.gz PSKCJFDHDYVXOE-DLBZAZTESA-N 1 3 269.392 2.175 20 30 CEEDHO N#Cc1ccc(CC[N@@H+]2CCC[C@H]3CNCC[C@H]32)cc1 ZINC000601334983 346823662 /nfs/dbraw/zinc/82/36/62/346823662.db2.gz PSKCJFDHDYVXOE-DLBZAZTESA-N 1 3 269.392 2.175 20 30 CEEDHO N#Cc1ccc(CC[N@H+]2CCC[C@H]3CNCC[C@H]32)cc1 ZINC000601334983 346823664 /nfs/dbraw/zinc/82/36/64/346823664.db2.gz PSKCJFDHDYVXOE-DLBZAZTESA-N 1 3 269.392 2.175 20 30 CEEDHO N#Cc1ccc(CCN2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334984 346823677 /nfs/dbraw/zinc/82/36/77/346823677.db2.gz PSKCJFDHDYVXOE-IAGOWNOFSA-N 1 3 269.392 2.175 20 30 CEEDHO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]3CNCC[C@H]32)cc1 ZINC000601334984 346823678 /nfs/dbraw/zinc/82/36/78/346823678.db2.gz PSKCJFDHDYVXOE-IAGOWNOFSA-N 1 3 269.392 2.175 20 30 CEEDHO N#Cc1ccc(CC[N@H+]2CCC[C@@H]3CNCC[C@H]32)cc1 ZINC000601334984 346823680 /nfs/dbraw/zinc/82/36/80/346823680.db2.gz PSKCJFDHDYVXOE-IAGOWNOFSA-N 1 3 269.392 2.175 20 30 CEEDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000037748866 361928596 /nfs/dbraw/zinc/92/85/96/361928596.db2.gz ZVOPWJSXNWXECR-XJKCOSOUSA-N 1 3 257.381 2.377 20 30 CEEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000312736624 344739919 /nfs/dbraw/zinc/73/99/19/344739919.db2.gz UJOAWKNNUFGRKV-KRWDZBQOSA-N 1 3 269.392 2.394 20 30 CEEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000312736624 344739921 /nfs/dbraw/zinc/73/99/21/344739921.db2.gz UJOAWKNNUFGRKV-KRWDZBQOSA-N 1 3 269.392 2.394 20 30 CEEDHO C[NH+](C)Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594462313 345636011 /nfs/dbraw/zinc/63/60/11/345636011.db2.gz CTIJBPSPZLZRIN-OAHLLOKOSA-N 1 3 288.395 2.098 20 30 CEEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCN(C)CCN(C)C)C1 ZINC000623087475 349934309 /nfs/dbraw/zinc/93/43/09/349934309.db2.gz TYMGPSHHPXMNBG-CVEARBPZSA-N 1 3 267.461 2.204 20 30 CEEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596097537 345939522 /nfs/dbraw/zinc/93/95/22/345939522.db2.gz YUKPFOAOKBETHQ-OAGGEKHMSA-N 1 3 261.413 2.390 20 30 CEEDHO N#C[C@@H]1CC[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596097537 345939524 /nfs/dbraw/zinc/93/95/24/345939524.db2.gz YUKPFOAOKBETHQ-OAGGEKHMSA-N 1 3 261.413 2.390 20 30 CEEDHO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000596097537 345939526 /nfs/dbraw/zinc/93/95/26/345939526.db2.gz YUKPFOAOKBETHQ-OAGGEKHMSA-N 1 3 261.413 2.390 20 30 CEEDHO CCCC[NH+]1CCC(NC[C@H](O)CC(C)(C)C#N)CC1 ZINC000598722013 346408094 /nfs/dbraw/zinc/40/80/94/346408094.db2.gz YHPKYAUQOMJFCN-OAHLLOKOSA-N 1 3 281.444 2.141 20 30 CEEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000635020878 369057511 /nfs/dbraw/zinc/05/75/11/369057511.db2.gz NEDCWYOIXSUVAF-BFHYXJOUSA-N 1 3 254.418 2.321 20 30 CEEDHO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)ccc1C#N ZINC000234963913 370552295 /nfs/dbraw/zinc/55/22/95/370552295.db2.gz ITNUTJLNVHEUSL-GFCCVEGCSA-N 1 3 273.380 2.126 20 30 CEEDHO CCCCNC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000264079677 371965113 /nfs/dbraw/zinc/96/51/13/371965113.db2.gz GVKBVISGLCNARX-UHFFFAOYSA-N 1 3 288.439 2.139 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000565043535 377541962 /nfs/dbraw/zinc/54/19/62/377541962.db2.gz FZESGNVRJZJIMQ-MSOLQXFVSA-N 1 3 299.418 2.277 20 30 CEEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000305071070 379619711 /nfs/dbraw/zinc/61/97/11/379619711.db2.gz JIZTUTPSRVQBLL-HOTGVXAUSA-N 1 3 266.429 2.121 20 30 CEEDHO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000305071070 379619717 /nfs/dbraw/zinc/61/97/17/379619717.db2.gz JIZTUTPSRVQBLL-HOTGVXAUSA-N 1 3 266.429 2.121 20 30 CEEDHO CC(C#N)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000334222766 380256298 /nfs/dbraw/zinc/25/62/98/380256298.db2.gz YWPNHTGRMBHMAE-NFOMZHRRSA-N 1 3 277.412 2.305 20 30 CEEDHO C=CCOCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000339060703 394940763 /nfs/dbraw/zinc/94/07/63/394940763.db2.gz WFTPKBCGMXMHFL-UHFFFAOYSA-N 1 3 289.423 2.432 20 30 CEEDHO C=CCOCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000339060703 394940768 /nfs/dbraw/zinc/94/07/68/394940768.db2.gz WFTPKBCGMXMHFL-UHFFFAOYSA-N 1 3 289.423 2.432 20 30 CEEDHO C=CCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346840161 395109128 /nfs/dbraw/zinc/10/91/28/395109128.db2.gz ZSWXORRRHAXNKF-UAGQMJEPSA-N 1 3 272.392 2.421 20 30 CEEDHO C=CCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346840160 395109593 /nfs/dbraw/zinc/10/95/93/395109593.db2.gz ZSWXORRRHAXNKF-BHYGNILZSA-N 1 3 272.392 2.421 20 30 CEEDHO C#Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290630679 395110823 /nfs/dbraw/zinc/11/08/23/395110823.db2.gz XWZSKQGAWHBFQU-WMLDXEAASA-N 1 3 256.393 2.440 20 30 CEEDHO C#Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290630679 395110827 /nfs/dbraw/zinc/11/08/27/395110827.db2.gz XWZSKQGAWHBFQU-WMLDXEAASA-N 1 3 256.393 2.440 20 30 CEEDHO C[NH+](C)CCOc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442709865 395391981 /nfs/dbraw/zinc/39/19/81/395391981.db2.gz OUHHVGTURNWVNB-GOEBONIOSA-N 1 3 287.407 2.409 20 30 CEEDHO C[NH+](C)CC1CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000571994387 395585519 /nfs/dbraw/zinc/58/55/19/395585519.db2.gz PPRHFXOOZZLVQE-SHARSMKWSA-N 1 3 262.401 2.140 20 30 CEEDHO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000665263253 415655277 /nfs/dbraw/zinc/65/52/77/415655277.db2.gz JGMRAKITSZAMIC-HRCADAONSA-N 1 3 266.429 2.480 20 30 CEEDHO C=CCCCCC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662253987 415721580 /nfs/dbraw/zinc/72/15/80/415721580.db2.gz DFAKAAXHQQGXTG-AWEZNQCLSA-N 1 3 252.402 2.186 20 30 CEEDHO C=CCCCCC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662253987 415721586 /nfs/dbraw/zinc/72/15/86/415721586.db2.gz DFAKAAXHQQGXTG-AWEZNQCLSA-N 1 3 252.402 2.186 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000334675053 225244245 /nfs/dbraw/zinc/24/42/45/225244245.db2.gz MVABLRVGBBFMPR-CABCVRRESA-N 1 3 277.412 2.261 20 30 CEEDHO CC(C#N)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000352125906 228185423 /nfs/dbraw/zinc/18/54/23/228185423.db2.gz NSFTTXFGARZCAL-RBSFLKMASA-N 1 3 299.418 2.419 20 30 CEEDHO CCc1cccc(NC(=[NH2+])NC[C@H](C)CN(C)C)c1 ZINC000291965525 263126830 /nfs/dbraw/zinc/12/68/30/263126830.db2.gz SFIDNMUEQGIUII-LBPRGKRZSA-N 1 3 262.401 2.173 20 30 CEEDHO CC[NH+](CC)[C@@H](CNC(=O)C(C)C#N)Cc1ccccc1 ZINC000357841233 266376108 /nfs/dbraw/zinc/37/61/08/266376108.db2.gz VFVQYCPEGMVUGF-GOEBONIOSA-N 1 3 287.407 2.215 20 30 CEEDHO COc1cc(C[NH2+][C@H]2CCCCC[C@H]2N)ccc1C#N ZINC000423128679 270845212 /nfs/dbraw/zinc/84/52/12/270845212.db2.gz WETNABZCVDGJIT-CABCVRRESA-N 1 3 273.380 2.316 20 30 CEEDHO CN1CCC[NH+]=C1NC[C@@H]1CCCN1C1CCCCC1 ZINC000263116057 330044322 /nfs/dbraw/zinc/04/43/22/330044322.db2.gz LNPMAYGSCBMLSB-HNNXBMFYSA-N 1 3 278.444 2.065 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000247950150 334292165 /nfs/dbraw/zinc/29/21/65/334292165.db2.gz DYZCVTCSYVRBNC-DOTOQJQBSA-N 1 3 279.472 2.347 20 30 CEEDHO C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)N1CCCC[C@@H]1C ZINC000261972328 629406701 /nfs/dbraw/zinc/40/67/01/629406701.db2.gz DRULYSZGLHZVTI-QLFBSQMISA-N 1 3 280.460 2.296 20 30 CEEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000819024252 634044374 /nfs/dbraw/zinc/04/43/74/634044374.db2.gz MWMFKMKJJZPLSO-KRWDZBQOSA-N 1 3 292.398 2.489 20 30 CEEDHO CC[NH+]1CCC(CN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902789102 634833968 /nfs/dbraw/zinc/83/39/68/634833968.db2.gz BUYVFCFQTULPNZ-CYBMUJFWSA-N 1 3 272.396 2.336 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911737625 638387033 /nfs/dbraw/zinc/38/70/33/638387033.db2.gz XEFDGALQZJQPIB-LSDHHAIUSA-N 1 3 283.460 2.275 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911817271 638432901 /nfs/dbraw/zinc/43/29/01/638432901.db2.gz GBYOKSACZQXSFS-ZNMIVQPWSA-N 1 3 283.460 2.260 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911857182 638445923 /nfs/dbraw/zinc/44/59/23/638445923.db2.gz UKBPUCDQJGHKDT-DOMZBBRYSA-N 1 3 275.396 2.006 20 30 CEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001015795938 641119434 /nfs/dbraw/zinc/11/94/34/641119434.db2.gz UBMYCLXTKFHLEQ-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001015795938 641119436 /nfs/dbraw/zinc/11/94/36/641119436.db2.gz UBMYCLXTKFHLEQ-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015795936 641119624 /nfs/dbraw/zinc/11/96/24/641119624.db2.gz UBMYCLXTKFHLEQ-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015795936 641119628 /nfs/dbraw/zinc/11/96/28/641119628.db2.gz UBMYCLXTKFHLEQ-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[NH+]1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004207112 643117065 /nfs/dbraw/zinc/11/70/65/643117065.db2.gz OMGHWXLEUYBCOJ-GJZGRUSLSA-N 1 3 293.455 2.016 20 30 CEEDHO C#CCCCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000878287762 651054536 /nfs/dbraw/zinc/05/45/36/651054536.db2.gz IOCQDGMVDLMRCO-IXDOHACOSA-N 1 3 278.440 2.364 20 30 CEEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@H]1CCCO1 ZINC000883173161 652389005 /nfs/dbraw/zinc/38/90/05/652389005.db2.gz DMAGRUIOSKIPFI-HRCADAONSA-N 1 3 266.429 2.432 20 30 CEEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001088381784 806174235 /nfs/dbraw/zinc/17/42/35/806174235.db2.gz MMAXMKNJSOHNRF-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001266551842 802708192 /nfs/dbraw/zinc/70/81/92/802708192.db2.gz AUWOEGQMWSSJRO-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001269799042 805255855 /nfs/dbraw/zinc/25/58/55/805255855.db2.gz QESKLURWMFIMCH-INIZCTEOSA-N 1 3 295.471 2.121 20 30 CEEDHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)nc1)C2 ZINC001172112166 815301158 /nfs/dbraw/zinc/30/11/58/815301158.db2.gz SXFQJBVIAHJQKZ-MUJYYYPQSA-N 1 3 270.380 2.058 20 30 CEEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044630715 811516708 /nfs/dbraw/zinc/51/67/08/811516708.db2.gz YHFALZOKJZGSCC-LSDHHAIUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134762995 813322115 /nfs/dbraw/zinc/32/21/15/813322115.db2.gz JWEUXNDZHALQTC-HZPDHXFCSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135747880 813516569 /nfs/dbraw/zinc/51/65/69/813516569.db2.gz WFIXYAKTTBRMNF-LSDHHAIUSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647073 814165811 /nfs/dbraw/zinc/16/58/11/814165811.db2.gz BGNQTISUUQUTSB-UYSNPLJNSA-N 1 3 295.471 2.023 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175106450 816132220 /nfs/dbraw/zinc/13/22/20/816132220.db2.gz GCPRMRCNHYGPHS-JKSUJKDBSA-N 1 3 297.487 2.413 20 30 CEEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986048 816503148 /nfs/dbraw/zinc/50/31/48/816503148.db2.gz CMQXEAGBGGBMKH-JKSUJKDBSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001178990427 816824200 /nfs/dbraw/zinc/82/42/00/816824200.db2.gz XJHWLDNFGLBYOP-FXUDXRNXSA-N 1 3 295.471 2.260 20 30 CEEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534436 816869940 /nfs/dbraw/zinc/86/99/40/816869940.db2.gz LYYXEGABLXYHCI-JYJNAYRXSA-N 1 3 293.455 2.016 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H](C)C[NH+]1CCCC1 ZINC000602518356 347064614 /nfs/dbraw/zinc/06/46/14/347064614.db2.gz QFLFNGZNWIXTLE-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000602518356 347064618 /nfs/dbraw/zinc/06/46/18/347064618.db2.gz QFLFNGZNWIXTLE-JKSUJKDBSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@H](NCCC1(C[NH3+])CC1)c1ccc(C#N)cc1F ZINC000593319073 345466002 /nfs/dbraw/zinc/46/60/02/345466002.db2.gz JCOHRXMAQMIJKR-NSHDSACASA-N 1 3 261.344 2.477 20 30 CEEDHO C=CCCSCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000596651889 346072157 /nfs/dbraw/zinc/07/21/57/346072157.db2.gz RLUUPQOAVJJDQF-QLFBSQMISA-N 1 3 284.469 2.042 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000602594014 347092217 /nfs/dbraw/zinc/09/22/17/347092217.db2.gz OIASMVHRDWOVOI-CABCVRRESA-N 1 3 279.428 2.017 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000602594014 347092218 /nfs/dbraw/zinc/09/22/18/347092218.db2.gz OIASMVHRDWOVOI-CABCVRRESA-N 1 3 279.428 2.017 20 30 CEEDHO COc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)cc1C#N ZINC000602878136 347234643 /nfs/dbraw/zinc/23/46/43/347234643.db2.gz WBWNDRXRLUWEHI-UHFFFAOYSA-N 1 3 299.418 2.485 20 30 CEEDHO C=CCc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)cc(OC)c1O ZINC000414925515 540247511 /nfs/dbraw/zinc/24/75/11/540247511.db2.gz LXNDOSXKDDJKRC-GJZGRUSLSA-N 1 3 290.407 2.489 20 30 CEEDHO C[C@H]1CCC[C@@](CNC(=[NH2+])Nc2ccccn2)(N(C)C)C1 ZINC000170909612 367445090 /nfs/dbraw/zinc/44/50/90/367445090.db2.gz PMOSEMQESZZSQY-XJKSGUPXSA-N 1 3 289.427 2.319 20 30 CEEDHO C[NH+](C)CCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349822475 369412054 /nfs/dbraw/zinc/41/20/54/369412054.db2.gz POSVSNZOZXPWFA-HZPDHXFCSA-N 1 3 287.407 2.409 20 30 CEEDHO C=CCCOCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000231800964 370494668 /nfs/dbraw/zinc/49/46/68/370494668.db2.gz HKWOSIIESBTXCY-UHFFFAOYSA-N 1 3 275.396 2.233 20 30 CEEDHO N#C[C@@H]1CCC[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000249044443 371286360 /nfs/dbraw/zinc/28/63/60/371286360.db2.gz VRMQKLQORGXLLR-BFYDXBDKSA-N 1 3 291.439 2.159 20 30 CEEDHO C=CCC[C@H](NCC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000286353667 395020748 /nfs/dbraw/zinc/02/07/48/395020748.db2.gz YWZFSJXPFWXCKO-AWEZNQCLSA-N 1 3 278.396 2.333 20 30 CEEDHO CC(C#N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000345656750 395071689 /nfs/dbraw/zinc/07/16/89/395071689.db2.gz GQQRHIOXLLHGFB-ZDUSSCGKSA-N 1 3 271.364 2.058 20 30 CEEDHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1C#N ZINC000234962739 153429276 /nfs/dbraw/zinc/42/92/76/153429276.db2.gz PKZYJNDHAWWKEJ-UHFFFAOYSA-N 1 3 287.407 2.340 20 30 CEEDHO C[NH+]1CCC(CNCc2ccc(C#N)cc2F)CC1 ZINC000044518357 175190808 /nfs/dbraw/zinc/19/08/08/175190808.db2.gz XQXYIEXBSMZTCI-UHFFFAOYSA-N 1 3 261.344 2.129 20 30 CEEDHO CC(C#N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000347088044 226045333 /nfs/dbraw/zinc/04/53/33/226045333.db2.gz PKTRPFXZFGXIFG-UONOGXRCSA-N 1 3 285.391 2.488 20 30 CEEDHO N#Cc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000333631387 228207679 /nfs/dbraw/zinc/20/76/79/228207679.db2.gz AYCBYKDHCWRIOR-QZTJIDSGSA-N 1 3 299.418 2.277 20 30 CEEDHO C[N@@H+]1CCC[C@H](CCNCc2cnc3ccc(C#N)cn23)C1 ZINC000459732696 267338371 /nfs/dbraw/zinc/33/83/71/267338371.db2.gz MOHAKGYNRDJFQA-CQSZACIVSA-N 1 3 297.406 2.027 20 30 CEEDHO C[N@H+]1CCC[C@H](CCNCc2cnc3ccc(C#N)cn23)C1 ZINC000459732696 267338373 /nfs/dbraw/zinc/33/83/73/267338373.db2.gz MOHAKGYNRDJFQA-CQSZACIVSA-N 1 3 297.406 2.027 20 30 CEEDHO CC(C#N)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000573497538 327186650 /nfs/dbraw/zinc/18/66/50/327186650.db2.gz UOWISWWTTGIRJA-AAEUAGOBSA-N 1 3 293.798 2.261 20 30 CEEDHO CCN1CCN(CCCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185777328 329331577 /nfs/dbraw/zinc/33/15/77/329331577.db2.gz FPCIZMCQNYFEIM-IRXDYDNUSA-N 1 3 292.471 2.076 20 30 CEEDHO CC[NH+]=C(NCC1(C)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262389140 330012256 /nfs/dbraw/zinc/01/22/56/330012256.db2.gz LUGRDYZOFMRUOB-OAHLLOKOSA-N 1 3 292.471 2.312 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423152249 330173219 /nfs/dbraw/zinc/17/32/19/330173219.db2.gz LJQCXJZADNXHKO-WCVJEAGWSA-N 1 3 258.365 2.454 20 30 CEEDHO C=CCN1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000430719938 330571403 /nfs/dbraw/zinc/57/14/03/330571403.db2.gz HIUJCKZOFWZRJW-HOTGVXAUSA-N 1 3 293.455 2.051 20 30 CEEDHO C=CCCC[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192743418 333238711 /nfs/dbraw/zinc/23/87/11/333238711.db2.gz NAWFFGYPQIMXAO-UHFFFAOYSA-N 1 3 267.461 2.301 20 30 CEEDHO C=CCCC[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192743418 333238712 /nfs/dbraw/zinc/23/87/12/333238712.db2.gz NAWFFGYPQIMXAO-UHFFFAOYSA-N 1 3 267.461 2.301 20 30 CEEDHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(=Nn2cnnc2)CC1 ZINC000733902103 574690189 /nfs/dbraw/zinc/69/01/89/574690189.db2.gz LLTQAOHLADFART-TZMCWYRMSA-N 1 3 261.373 2.157 20 30 CEEDHO C=CC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001026540186 628352883 /nfs/dbraw/zinc/35/28/83/628352883.db2.gz CZHNFLLGHXOQMR-UHFFFAOYSA-N 1 3 293.455 2.064 20 30 CEEDHO C=C(CC[NH+](C)C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000900695334 633801349 /nfs/dbraw/zinc/80/13/49/633801349.db2.gz PXFHSNSGSYZLMH-UHFFFAOYSA-N 1 3 295.471 2.073 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000903447305 635132818 /nfs/dbraw/zinc/13/28/18/635132818.db2.gz NUIGOJLCSTXBMJ-UKRRQHHQSA-N 1 3 257.381 2.344 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000876538165 650311431 /nfs/dbraw/zinc/31/14/31/650311431.db2.gz MUIXCUHPZKDVLD-SKDRFNHKSA-N 1 3 267.760 2.115 20 30 CEEDHO COCC[N@H+](C)CCCNCc1c(C)cc(C#N)cc1C ZINC000921524028 642189958 /nfs/dbraw/zinc/18/99/58/642189958.db2.gz KAXOTPSVIZFJIP-UHFFFAOYSA-N 1 3 289.423 2.233 20 30 CEEDHO COCC[N@@H+](C)CCCNCc1c(C)cc(C#N)cc1C ZINC000921524028 642189964 /nfs/dbraw/zinc/18/99/64/642189964.db2.gz KAXOTPSVIZFJIP-UHFFFAOYSA-N 1 3 289.423 2.233 20 30 CEEDHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCCN1CC ZINC001267116901 803139836 /nfs/dbraw/zinc/13/98/36/803139836.db2.gz JIQJIYGQRXMYRI-JKSUJKDBSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712363 812449716 /nfs/dbraw/zinc/44/97/16/812449716.db2.gz HLXAJLJQAZVVSE-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712363 812449720 /nfs/dbraw/zinc/44/97/20/812449720.db2.gz HLXAJLJQAZVVSE-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133833806 813161578 /nfs/dbraw/zinc/16/15/78/813161578.db2.gz GRKRGRFOHGSVBS-HNNXBMFYSA-N 1 3 283.460 2.147 20 30 CEEDHO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369846 813261972 /nfs/dbraw/zinc/26/19/72/813261972.db2.gz SSWHJSGHYYOJEU-CABCVRRESA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135979036 813577193 /nfs/dbraw/zinc/57/71/93/813577193.db2.gz BFTPWIBGTRERDW-GJZGRUSLSA-N 1 3 283.460 2.167 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135979037 813578296 /nfs/dbraw/zinc/57/82/96/813578296.db2.gz BFTPWIBGTRERDW-HUUCEWRRSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCCC[NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001100457220 814131015 /nfs/dbraw/zinc/13/10/15/814131015.db2.gz UMLBGJHCEKXSKN-UHFFFAOYSA-N 1 3 295.471 2.167 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595223 814298751 /nfs/dbraw/zinc/29/87/51/814298751.db2.gz XQZULDLBSBNQSG-LSDHHAIUSA-N 1 3 283.460 2.166 20 30 CEEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175273415 816167580 /nfs/dbraw/zinc/16/75/80/816167580.db2.gz RLBGHYNBOUMWHF-HNNXBMFYSA-N 1 3 295.471 2.169 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175305014 816170752 /nfs/dbraw/zinc/17/07/52/816170752.db2.gz NUJNHBKCZAIGJH-GJZGRUSLSA-N 1 3 283.460 2.167 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986045 816502692 /nfs/dbraw/zinc/50/26/92/816502692.db2.gz CMQXEAGBGGBMKH-CVEARBPZSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179586013 816886112 /nfs/dbraw/zinc/88/61/12/816886112.db2.gz LNGZMKCYZHMPEI-INIZCTEOSA-N 1 3 295.471 2.171 20 30 CEEDHO N#Cc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322862 345466565 /nfs/dbraw/zinc/46/65/65/345466565.db2.gz PFPJHJYVMJQFHB-KSZLIROESA-N 1 3 299.418 2.419 20 30 CEEDHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000594405172 345622517 /nfs/dbraw/zinc/62/25/17/345622517.db2.gz UDFNRPNJVFYQRP-ZACQAIPSSA-N 1 3 299.418 2.215 20 30 CEEDHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595619380 345830151 /nfs/dbraw/zinc/83/01/51/345830151.db2.gz ACFDDRWHIXYSNK-QGZVFWFLSA-N 1 3 292.471 2.028 20 30 CEEDHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595619380 345830154 /nfs/dbraw/zinc/83/01/54/345830154.db2.gz ACFDDRWHIXYSNK-QGZVFWFLSA-N 1 3 292.471 2.028 20 30 CEEDHO C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1CN ZINC000595893514 345908880 /nfs/dbraw/zinc/90/88/80/345908880.db2.gz RXLJFEJPDNJOPO-BBRMVZONSA-N 1 3 257.381 2.017 20 30 CEEDHO C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1CN ZINC000595893514 345908882 /nfs/dbraw/zinc/90/88/82/345908882.db2.gz RXLJFEJPDNJOPO-BBRMVZONSA-N 1 3 257.381 2.017 20 30 CEEDHO N#CCC[C@H](C#N)CNCC1CC[NH+](CC2CC2)CC1 ZINC000596067651 345932308 /nfs/dbraw/zinc/93/23/08/345932308.db2.gz PJWVGYRNZJVLJN-MRXNPFEDSA-N 1 3 274.412 2.142 20 30 CEEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596097538 345939283 /nfs/dbraw/zinc/93/92/83/345939283.db2.gz YUKPFOAOKBETHQ-OWCLPIDISA-N 1 3 261.413 2.390 20 30 CEEDHO N#C[C@@H]1CC[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596097538 345939285 /nfs/dbraw/zinc/93/92/85/345939285.db2.gz YUKPFOAOKBETHQ-OWCLPIDISA-N 1 3 261.413 2.390 20 30 CEEDHO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000596097538 345939288 /nfs/dbraw/zinc/93/92/88/345939288.db2.gz YUKPFOAOKBETHQ-OWCLPIDISA-N 1 3 261.413 2.390 20 30 CEEDHO CC(C#N)C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000597704249 346218607 /nfs/dbraw/zinc/21/86/07/346218607.db2.gz PSVGCEGXAAIBJZ-CYBMUJFWSA-N 1 3 277.412 2.259 20 30 CEEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NCCOCCC[NH3+] ZINC000600709588 346675071 /nfs/dbraw/zinc/67/50/71/346675071.db2.gz LFVFERDXYRQXQH-QGZVFWFLSA-N 1 3 287.407 2.281 20 30 CEEDHO N#CCC1(CN2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000602781351 347195591 /nfs/dbraw/zinc/19/55/91/347195591.db2.gz KMWHVULRZGXEDR-UHFFFAOYSA-N 1 3 291.439 2.257 20 30 CEEDHO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1F ZINC000404251142 233192897 /nfs/dbraw/zinc/19/28/97/233192897.db2.gz KKSVOFUXBFGMDJ-ZDUSSCGKSA-N 1 3 273.355 2.271 20 30 CEEDHO C#CCCOc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271863201 191375244 /nfs/dbraw/zinc/37/52/44/191375244.db2.gz JCHSZPIPNYLGGS-UHFFFAOYSA-N 1 3 284.403 2.440 20 30 CEEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C#N)s1 ZINC000150997621 366611001 /nfs/dbraw/zinc/61/10/01/366611001.db2.gz RDBMUFLGLYTUOD-LBPRGKRZSA-N 1 3 281.425 2.066 20 30 CEEDHO C[NH+](C)CC1CCC(NCc2ccc(C#N)o2)CC1 ZINC000119890974 365340591 /nfs/dbraw/zinc/34/05/91/365340591.db2.gz JNYFWAZGEUGLTG-UHFFFAOYSA-N 1 3 261.369 2.361 20 30 CEEDHO C[C@@H]1CCC[C@](CNC(=[NH2+])Nc2ccccn2)(N(C)C)C1 ZINC000170909614 367444943 /nfs/dbraw/zinc/44/49/43/367444943.db2.gz PMOSEMQESZZSQY-CJNGLKHVSA-N 1 3 289.427 2.319 20 30 CEEDHO N#Cc1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000343572303 367891738 /nfs/dbraw/zinc/89/17/38/367891738.db2.gz MRHXJBNFIDSSQQ-SJORKVTESA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000343572303 367891741 /nfs/dbraw/zinc/89/17/41/367891741.db2.gz MRHXJBNFIDSSQQ-SJORKVTESA-N 1 3 269.392 2.317 20 30 CEEDHO CC[NH+]1CCC(CCNCc2ccc(C#N)o2)CC1 ZINC000174551384 368039478 /nfs/dbraw/zinc/03/94/78/368039478.db2.gz YAGJPLPJFWKQBP-UHFFFAOYSA-N 1 3 261.369 2.363 20 30 CEEDHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345161572 368176214 /nfs/dbraw/zinc/17/62/14/368176214.db2.gz RQOGIEUKDPZPKF-CYBMUJFWSA-N 1 3 273.380 2.303 20 30 CEEDHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345161572 368176216 /nfs/dbraw/zinc/17/62/16/368176216.db2.gz RQOGIEUKDPZPKF-CYBMUJFWSA-N 1 3 273.380 2.303 20 30 CEEDHO CC(C#N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000349571835 369347748 /nfs/dbraw/zinc/34/77/48/369347748.db2.gz XOXWKGPXPLHEOX-KGLIPLIRSA-N 1 3 273.380 2.173 20 30 CEEDHO CC(C#N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349571835 369347754 /nfs/dbraw/zinc/34/77/54/369347754.db2.gz XOXWKGPXPLHEOX-KGLIPLIRSA-N 1 3 273.380 2.173 20 30 CEEDHO CCC#C[C@H](C)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701792 371506798 /nfs/dbraw/zinc/50/67/98/371506798.db2.gz AYXHWDUBFIVOHM-HNNXBMFYSA-N 1 3 257.381 2.396 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398166204 375349138 /nfs/dbraw/zinc/34/91/38/375349138.db2.gz MRWMPLKTXKJKSF-YCPHGPKFSA-N 1 3 285.391 2.173 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398166204 375349146 /nfs/dbraw/zinc/34/91/46/375349146.db2.gz MRWMPLKTXKJKSF-YCPHGPKFSA-N 1 3 285.391 2.173 20 30 CEEDHO COc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786758 375969525 /nfs/dbraw/zinc/96/95/25/375969525.db2.gz UUKYRQUBRRQXBR-IAGOWNOFSA-N 1 3 299.418 2.388 20 30 CEEDHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1C#N ZINC000414800029 375984919 /nfs/dbraw/zinc/98/49/19/375984919.db2.gz KMOURRLGFBIRIL-DZGCQCFKSA-N 1 3 273.380 2.174 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000436291278 377821553 /nfs/dbraw/zinc/82/15/53/377821553.db2.gz PUJLMLBPLIRNTE-UGUYLWEFSA-N 1 3 264.413 2.184 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000436291278 377821557 /nfs/dbraw/zinc/82/15/57/377821557.db2.gz PUJLMLBPLIRNTE-UGUYLWEFSA-N 1 3 264.413 2.184 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000436291278 377821565 /nfs/dbraw/zinc/82/15/65/377821565.db2.gz PUJLMLBPLIRNTE-UGUYLWEFSA-N 1 3 264.413 2.184 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000335918864 533110486 /nfs/dbraw/zinc/11/04/86/533110486.db2.gz CWGNNYWQVGXHGL-LSDHHAIUSA-N 1 3 277.412 2.117 20 30 CEEDHO [NH2+]=C(NCC1CCN(Cc2cccs2)CC1)NC1CC1 ZINC000261703505 394605587 /nfs/dbraw/zinc/60/55/87/394605587.db2.gz CQXCXYDNVLCDKQ-UHFFFAOYSA-N 1 3 292.452 2.027 20 30 CEEDHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423099619 394886619 /nfs/dbraw/zinc/88/66/19/394886619.db2.gz LZWKQWRAXKHUCL-CJNGLKHVSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1cccc(C#N)c1 ZINC000423099619 394886622 /nfs/dbraw/zinc/88/66/22/394886622.db2.gz LZWKQWRAXKHUCL-CJNGLKHVSA-N 1 3 257.381 2.078 20 30 CEEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1 ZINC000651952923 401423301 /nfs/dbraw/zinc/42/33/01/401423301.db2.gz IETLKLYORKZOFO-IAGOWNOFSA-N 1 3 279.472 2.348 20 30 CEEDHO C=CCC1([NH2+]CC(=O)NC2CCN(CC)CC2)CCCC1 ZINC000661851186 415498150 /nfs/dbraw/zinc/49/81/50/415498150.db2.gz NIXUBWBRCCVBRB-UHFFFAOYSA-N 1 3 293.455 2.065 20 30 CEEDHO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000665263252 415655194 /nfs/dbraw/zinc/65/51/94/415655194.db2.gz JGMRAKITSZAMIC-BZUAXINKSA-N 1 3 266.429 2.480 20 30 CEEDHO C=CCCC[C@@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154140 415662003 /nfs/dbraw/zinc/66/20/03/415662003.db2.gz WOABWIDMWRYUFO-ZBFHGGJFSA-N 1 3 266.429 2.262 20 30 CEEDHO C=CCCC[C@@H](C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154140 415662005 /nfs/dbraw/zinc/66/20/05/415662005.db2.gz WOABWIDMWRYUFO-ZBFHGGJFSA-N 1 3 266.429 2.262 20 30 CEEDHO C=CCN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)COC ZINC000662299741 415760867 /nfs/dbraw/zinc/76/08/67/415760867.db2.gz WOTJUFOZWWIIHH-AWEZNQCLSA-N 1 3 274.408 2.355 20 30 CEEDHO C=CCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327277 415784421 /nfs/dbraw/zinc/78/44/21/415784421.db2.gz LXLUWDLTMBQAPJ-UHFFFAOYSA-N 1 3 274.412 2.242 20 30 CEEDHO C=CCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327277 415784427 /nfs/dbraw/zinc/78/44/27/415784427.db2.gz LXLUWDLTMBQAPJ-UHFFFAOYSA-N 1 3 274.412 2.242 20 30 CEEDHO CC[C@H](C)NC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179712269 261810807 /nfs/dbraw/zinc/81/08/07/261810807.db2.gz ROISVPZPLFTVHM-ZDUSSCGKSA-N 1 3 289.427 2.001 20 30 CEEDHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1C#N ZINC000414774790 263043960 /nfs/dbraw/zinc/04/39/60/263043960.db2.gz UXCWREGAMXBNSQ-UHFFFAOYSA-N 1 3 285.391 2.142 20 30 CEEDHO CN(C)C(C)(C)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288725799 263105786 /nfs/dbraw/zinc/10/57/86/263105786.db2.gz MPKVAVYOUNMGGI-UHFFFAOYSA-N 1 3 270.327 2.032 20 30 CEEDHO CC#CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000306460310 268048439 /nfs/dbraw/zinc/04/84/39/268048439.db2.gz BYAPQQNSEYXBIE-ZWKOTPCHSA-N 1 3 268.404 2.464 20 30 CEEDHO CC#CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000306460310 268048443 /nfs/dbraw/zinc/04/84/43/268048443.db2.gz BYAPQQNSEYXBIE-ZWKOTPCHSA-N 1 3 268.404 2.464 20 30 CEEDHO CC[NH+]1CCC(CNCc2ccc(C#N)s2)CC1 ZINC000135690228 280052952 /nfs/dbraw/zinc/05/29/52/280052952.db2.gz CHJHEIZOPOLRGA-UHFFFAOYSA-N 1 3 263.410 2.441 20 30 CEEDHO C=CC[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000186719594 329348009 /nfs/dbraw/zinc/34/80/09/329348009.db2.gz QHCVDSGKTNFBOL-OAHLLOKOSA-N 1 3 266.429 2.310 20 30 CEEDHO C=CC[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000186719594 329348011 /nfs/dbraw/zinc/34/80/11/329348011.db2.gz QHCVDSGKTNFBOL-OAHLLOKOSA-N 1 3 266.429 2.310 20 30 CEEDHO C=C[C@@H]1OCC[C@H]1N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423158679 330173736 /nfs/dbraw/zinc/17/37/36/330173736.db2.gz WYGYNDQEMJGARZ-BARDWOONSA-N 1 3 252.402 2.230 20 30 CEEDHO C=CCN1CCC(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423367377 330194640 /nfs/dbraw/zinc/19/46/40/330194640.db2.gz AIOJSAWLVJPPDV-CYBMUJFWSA-N 1 3 287.407 2.087 20 30 CEEDHO C=C(C)COCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000163575860 331058874 /nfs/dbraw/zinc/05/88/74/331058874.db2.gz SKECRNVZIPQOSE-UHFFFAOYSA-N 1 3 275.396 2.233 20 30 CEEDHO COc1ccc(C[NH+]2CCC(CNCCC#N)CC2)cc1 ZINC000575796493 335115902 /nfs/dbraw/zinc/11/59/02/335115902.db2.gz FSRUCXRPIBNHOL-UHFFFAOYSA-N 1 3 287.407 2.410 20 30 CEEDHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)C#N)C1 ZINC000347102705 529216172 /nfs/dbraw/zinc/21/61/72/529216172.db2.gz HTSQWTKLNKZMEW-OLZOCXBDSA-N 1 3 265.401 2.163 20 30 CEEDHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)C#N)C1 ZINC000347102705 529216173 /nfs/dbraw/zinc/21/61/73/529216173.db2.gz HTSQWTKLNKZMEW-OLZOCXBDSA-N 1 3 265.401 2.163 20 30 CEEDHO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000742206511 575010651 /nfs/dbraw/zinc/01/06/51/575010651.db2.gz HPUKYVLFXDLNET-CJNGLKHVSA-N 1 3 257.381 2.378 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925654589 628361168 /nfs/dbraw/zinc/36/11/68/628361168.db2.gz GCXPYWYFQDQCBC-QRJUGERDSA-N 1 3 278.440 2.334 20 30 CEEDHO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000895296665 630089471 /nfs/dbraw/zinc/08/94/71/630089471.db2.gz ARYXYQWJYRJXNS-ZIAGYGMSSA-N 1 3 275.396 2.407 20 30 CEEDHO N#CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000817918658 633776662 /nfs/dbraw/zinc/77/66/62/633776662.db2.gz MAWYIVVZLUHUPO-HZPDHXFCSA-N 1 3 273.380 2.339 20 30 CEEDHO N#Cc1ccc([C@@H](O)C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000818966766 634019785 /nfs/dbraw/zinc/01/97/85/634019785.db2.gz OFVFLWCOZOANLG-SFHVURJKSA-N 1 3 299.418 2.056 20 30 CEEDHO Cc1cc(C#N)cc(C)c1CN1CC[C@](C)(C[NH3+])C1 ZINC000903453068 635136729 /nfs/dbraw/zinc/13/67/29/635136729.db2.gz XXHIRSBUDLWPCX-MRXNPFEDSA-N 1 3 257.381 2.346 20 30 CEEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000911692208 638360563 /nfs/dbraw/zinc/36/05/63/638360563.db2.gz MUOFQIYKABJFNZ-AWEZNQCLSA-N 1 3 261.369 2.028 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000911692209 638361473 /nfs/dbraw/zinc/36/14/73/638361473.db2.gz MUOFQIYKABJFNZ-CQSZACIVSA-N 1 3 261.369 2.028 20 30 CEEDHO C[NH+]1CCC(C)(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000857761035 644965235 /nfs/dbraw/zinc/96/52/35/644965235.db2.gz MWCXLXLWBQOICX-UHFFFAOYSA-N 1 3 292.814 2.428 20 30 CEEDHO C=C(C)C[NH+]1CCC(Nc2ccnc(CO)c2)CC1 ZINC000858399081 645144153 /nfs/dbraw/zinc/14/41/53/645144153.db2.gz RZVMNRTYEJOBRE-UHFFFAOYSA-N 1 3 261.369 2.026 20 30 CEEDHO CN1CCN(c2ccc(C[NH+]3CCC(C#N)CC3)cc2)CC1 ZINC000775667017 646978186 /nfs/dbraw/zinc/97/81/86/646978186.db2.gz CTAORHUCCKQPGC-UHFFFAOYSA-N 1 3 298.434 2.174 20 30 CEEDHO C=CCC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001271016500 805715492 /nfs/dbraw/zinc/71/54/92/805715492.db2.gz HCCLEUTYCDNHBD-QGZVFWFLSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001271016500 805715499 /nfs/dbraw/zinc/71/54/99/805715499.db2.gz HCCLEUTYCDNHBD-QGZVFWFLSA-N 1 3 295.471 2.121 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001088334708 806131345 /nfs/dbraw/zinc/13/13/45/806131345.db2.gz NUFPVCCHTIJBDW-JKSUJKDBSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331527 802385713 /nfs/dbraw/zinc/38/57/13/802385713.db2.gz TVPYOUSHQKJEES-OAHLLOKOSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001279111414 802896773 /nfs/dbraw/zinc/89/67/73/802896773.db2.gz LOSJOMYNUUEMGM-OAHLLOKOSA-N 1 3 295.471 2.119 20 30 CEEDHO C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001266816751 802919067 /nfs/dbraw/zinc/91/90/67/802919067.db2.gz ITODEXYSJSFLEL-JKSUJKDBSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001268366595 804634128 /nfs/dbraw/zinc/63/41/28/804634128.db2.gz NRMLDJUJSZGNEK-OAHLLOKOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=C(C)C[N@@H+](C)CCN(C(=O)[C@@H](CC)N(C)C)C(C)C ZINC001284552910 805202345 /nfs/dbraw/zinc/20/23/45/805202345.db2.gz ABWLBUOHCFSUSI-OAHLLOKOSA-N 1 3 283.460 2.072 20 30 CEEDHO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H](CC)N(C)C)C(C)C ZINC001284552910 805202351 /nfs/dbraw/zinc/20/23/51/805202351.db2.gz ABWLBUOHCFSUSI-OAHLLOKOSA-N 1 3 283.460 2.072 20 30 CEEDHO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584608 813292950 /nfs/dbraw/zinc/29/29/50/813292950.db2.gz VOYOGTUCAYKAIE-GJZGRUSLSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706467 813508003 /nfs/dbraw/zinc/50/80/03/813508003.db2.gz VBALVBIYTQFHCR-CABCVRRESA-N 1 3 283.460 2.167 20 30 CEEDHO CC1(C#N)CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246554843 814027610 /nfs/dbraw/zinc/02/76/10/814027610.db2.gz DYHZJJMTAKEYIP-HIFPTAJRSA-N 1 3 271.355 2.375 20 30 CEEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171238640 814211227 /nfs/dbraw/zinc/21/12/27/814211227.db2.gz XDLCVXBQLPKRLX-HNNXBMFYSA-N 1 3 295.471 2.311 20 30 CEEDHO CCCCCCC[C@H](C)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246646107 814241978 /nfs/dbraw/zinc/24/19/78/814241978.db2.gz WLCBBHNELKIKOC-JKSUJKDBSA-N 1 3 267.461 2.373 20 30 CEEDHO N#C[C@@H]1CCC[C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000333346368 539323658 /nfs/dbraw/zinc/32/36/58/539323658.db2.gz USDYVKSCSAQTQA-XLNGHYISSA-N 1 3 291.439 2.036 20 30 CEEDHO C#CCOc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292885760 344689539 /nfs/dbraw/zinc/68/95/39/344689539.db2.gz YHIUEYRUPLLILL-SFHVURJKSA-N 1 3 284.403 2.226 20 30 CEEDHO C#CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292885760 344689543 /nfs/dbraw/zinc/68/95/43/344689543.db2.gz YHIUEYRUPLLILL-SFHVURJKSA-N 1 3 284.403 2.226 20 30 CEEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](N)C1CC1 ZINC000591578159 345266195 /nfs/dbraw/zinc/26/61/95/345266195.db2.gz BWUXMRNMJUDLCY-JKSUJKDBSA-N 1 3 255.365 2.263 20 30 CEEDHO N#C[C@@H]1CCC[C@@H](NCc2ccc(C[NH3+])cc2F)C1 ZINC000593320241 345465941 /nfs/dbraw/zinc/46/59/41/345465941.db2.gz BNRQVSPXVMDVOG-BXUZGUMPSA-N 1 3 261.344 2.456 20 30 CEEDHO CN1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000595507995 345799310 /nfs/dbraw/zinc/79/93/10/345799310.db2.gz STEVOSGQWVFJJW-SFHVURJKSA-N 1 3 299.418 2.355 20 30 CEEDHO CN1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000595507995 345799311 /nfs/dbraw/zinc/79/93/11/345799311.db2.gz STEVOSGQWVFJJW-SFHVURJKSA-N 1 3 299.418 2.355 20 30 CEEDHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000597697204 346217361 /nfs/dbraw/zinc/21/73/61/346217361.db2.gz DQMLAQQRCPSXJB-DJIMGWMZSA-N 1 3 299.418 2.310 20 30 CEEDHO C[C@H](CCC#N)C[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000602603203 347096186 /nfs/dbraw/zinc/09/61/86/347096186.db2.gz NAFZFCQWEXERPL-CQSZACIVSA-N 1 3 290.411 2.051 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000602724037 347171769 /nfs/dbraw/zinc/17/17/69/347171769.db2.gz PMHLKAXHOOGKQQ-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000602724037 347171773 /nfs/dbraw/zinc/17/17/73/347171773.db2.gz PMHLKAXHOOGKQQ-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000602724037 347171776 /nfs/dbraw/zinc/17/17/76/347171776.db2.gz PMHLKAXHOOGKQQ-HZPDHXFCSA-N 1 3 293.455 2.407 20 30 CEEDHO C[NH+](C)C[C@@]1(O)CCCN(CCCCC(C)(C)C#N)C1 ZINC000602876135 347234747 /nfs/dbraw/zinc/23/47/47/347234747.db2.gz FCLIYRHQGHVZCE-INIZCTEOSA-N 1 3 281.444 2.095 20 30 CEEDHO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1F ZINC000404251141 233193037 /nfs/dbraw/zinc/19/30/37/233193037.db2.gz KKSVOFUXBFGMDJ-CYBMUJFWSA-N 1 3 273.355 2.271 20 30 CEEDHO CC[NH+](CC)CCOC1CCN(CCCC#N)CC1 ZINC000075007802 363433657 /nfs/dbraw/zinc/43/36/57/363433657.db2.gz HPQKDJRLXMCAFN-UHFFFAOYSA-N 1 3 267.417 2.113 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(CC)C[C@H]2C)CC1 ZINC000152974803 366722699 /nfs/dbraw/zinc/72/26/99/366722699.db2.gz DYZCVTCSYVRBNC-NVXWUHKLSA-N 1 3 279.472 2.347 20 30 CEEDHO C[C@]1(CNC(=[NH2+])NC2CC2)CCCN1Cc1ccccc1 ZINC000153555669 366735941 /nfs/dbraw/zinc/73/59/41/366735941.db2.gz AIEXWQRWCHESTO-QGZVFWFLSA-N 1 3 286.423 2.108 20 30 CEEDHO C=CCCCCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767820 371554921 /nfs/dbraw/zinc/55/49/21/371554921.db2.gz TXAVJKLASPWCIJ-HNNXBMFYSA-N 1 3 254.418 2.121 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CC1 ZINC000367613427 373167603 /nfs/dbraw/zinc/16/76/03/373167603.db2.gz FNHXZXSCENXGGJ-KSZLIROESA-N 1 3 291.483 2.489 20 30 CEEDHO N#Cc1cccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423099309 376993101 /nfs/dbraw/zinc/99/31/01/376993101.db2.gz LXZNQAIHIHKSBS-JKSUJKDBSA-N 1 3 257.381 2.350 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000295121379 378042787 /nfs/dbraw/zinc/04/27/87/378042787.db2.gz YRJOZKMHSFSWPA-ZDUSSCGKSA-N 1 3 278.371 2.440 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000295121379 378042793 /nfs/dbraw/zinc/04/27/93/378042793.db2.gz YRJOZKMHSFSWPA-ZDUSSCGKSA-N 1 3 278.371 2.440 20 30 CEEDHO C#CCSCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000364535205 262253618 /nfs/dbraw/zinc/25/36/18/262253618.db2.gz SIESKDFVUKSBQI-UHFFFAOYSA-N 1 3 266.454 2.349 20 30 CEEDHO N#Cc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000268964450 394704756 /nfs/dbraw/zinc/70/47/56/394704756.db2.gz KLDDRUZQIVDUCY-MSOLQXFVSA-N 1 3 299.418 2.026 20 30 CEEDHO CC[NH+](CC)Cc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000345664801 395072410 /nfs/dbraw/zinc/07/24/10/395072410.db2.gz NZVFOWWFLDSHSV-CYBMUJFWSA-N 1 3 273.380 2.304 20 30 CEEDHO C#Cc1ccc(C[NH2+]CCCCN2CCN(CC)CC2)cc1 ZINC000289358935 395075920 /nfs/dbraw/zinc/07/59/20/395075920.db2.gz YMISNQSRYWPPFA-UHFFFAOYSA-N 1 3 299.462 2.175 20 30 CEEDHO C#Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290630681 395111478 /nfs/dbraw/zinc/11/14/78/395111478.db2.gz XWZSKQGAWHBFQU-YOEHRIQHSA-N 1 3 256.393 2.440 20 30 CEEDHO C#Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290630681 395111479 /nfs/dbraw/zinc/11/14/79/395111479.db2.gz XWZSKQGAWHBFQU-YOEHRIQHSA-N 1 3 256.393 2.440 20 30 CEEDHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(C)C#N ZINC000427447708 395112450 /nfs/dbraw/zinc/11/24/50/395112450.db2.gz AAPROQRHRLFFCE-LLVKDONJSA-N 1 3 293.333 2.269 20 30 CEEDHO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)CCC#N)C1 ZINC000411309190 395326484 /nfs/dbraw/zinc/32/64/84/395326484.db2.gz QRXVVKPQCNQYLY-GJZGRUSLSA-N 1 3 267.417 2.111 20 30 CEEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(C)CC2)C1 ZINC000651676848 401370359 /nfs/dbraw/zinc/37/03/59/401370359.db2.gz PRQQADMZTSLODS-SJORKVTESA-N 1 3 279.472 2.348 20 30 CEEDHO C=CCOCCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665262968 415655091 /nfs/dbraw/zinc/65/50/91/415655091.db2.gz CXLGVQMHWDOGQJ-GJZGRUSLSA-N 1 3 254.418 2.480 20 30 CEEDHO CC(C#N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000347088041 226044167 /nfs/dbraw/zinc/04/41/67/226044167.db2.gz PKTRPFXZFGXIFG-KGLIPLIRSA-N 1 3 285.391 2.488 20 30 CEEDHO C#CCSCCNC1CC[NH+](C2CCCC2)CC1 ZINC000364535205 262253617 /nfs/dbraw/zinc/25/36/17/262253617.db2.gz SIESKDFVUKSBQI-UHFFFAOYSA-N 1 3 266.454 2.349 20 30 CEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288694757 263105607 /nfs/dbraw/zinc/10/56/07/263105607.db2.gz KJRUOFBFFCREGZ-LLVKDONJSA-N 1 3 282.338 2.176 20 30 CEEDHO C[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000397386741 267088175 /nfs/dbraw/zinc/08/81/75/267088175.db2.gz MFLXBQCLICQERJ-DVOMOZLQSA-N 1 3 257.381 2.363 20 30 CEEDHO C=CCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000370693118 267339965 /nfs/dbraw/zinc/33/99/65/267339965.db2.gz YBZZIDFEFHHKKY-UHFFFAOYSA-N 1 3 279.472 2.443 20 30 CEEDHO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1 ZINC000332380642 274391861 /nfs/dbraw/zinc/39/18/61/274391861.db2.gz GMJNZDKWGRWGEG-PBHICJAKSA-N 1 3 298.434 2.257 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000347093711 289235818 /nfs/dbraw/zinc/23/58/18/289235818.db2.gz BMJIXADIGVWWMK-KFWWJZLASA-N 1 3 277.412 2.259 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000347093711 289235819 /nfs/dbraw/zinc/23/58/19/289235819.db2.gz BMJIXADIGVWWMK-KFWWJZLASA-N 1 3 277.412 2.259 20 30 CEEDHO CCC[NH+]1CCC(CNC[C@@H](C#N)CCC#N)CC1 ZINC000583139281 329325909 /nfs/dbraw/zinc/32/59/09/329325909.db2.gz YVDZWXAGTMYNDY-OAHLLOKOSA-N 1 3 262.401 2.142 20 30 CEEDHO C=CCN(CC=C)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422834974 330156805 /nfs/dbraw/zinc/15/68/05/330156805.db2.gz ONLSNHHNKXBBJF-ULQDDVLXSA-N 1 3 279.472 2.415 20 30 CEEDHO C=CCSCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422950582 330163684 /nfs/dbraw/zinc/16/36/84/330163684.db2.gz YKIJKSGFNBFUMR-LLVKDONJSA-N 1 3 265.426 2.419 20 30 CEEDHO C=C(CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000423021944 330165762 /nfs/dbraw/zinc/16/57/62/330165762.db2.gz DBCKQHFDCDEZDI-VNQPRFMTSA-N 1 3 260.381 2.042 20 30 CEEDHO N#CC1(c2ccccc2)CCC([NH2+]CC2CNC2)CC1 ZINC000423308094 330189418 /nfs/dbraw/zinc/18/94/18/330189418.db2.gz XJFJFERASZZJKJ-UHFFFAOYSA-N 1 3 269.392 2.200 20 30 CEEDHO C=CCC[C@@H](NC[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423410634 330197150 /nfs/dbraw/zinc/19/71/50/330197150.db2.gz DJWXLHOHSMDFEO-CABCVRRESA-N 1 3 252.402 2.089 20 30 CEEDHO CC(C)CN(CCC#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000800346563 631114232 /nfs/dbraw/zinc/11/42/32/631114232.db2.gz YKUYFAIHKCIBBK-UHFFFAOYSA-N 1 3 294.487 2.274 20 30 CEEDHO C=CCN1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906591709 636791000 /nfs/dbraw/zinc/79/10/00/636791000.db2.gz FAUNKRLZSZWGHI-UHFFFAOYSA-N 1 3 293.455 2.018 20 30 CEEDHO C#CC1CCN(CC[C@H](C)[NH+]2CCC(C#C)CC2)CC1 ZINC000830343042 637042333 /nfs/dbraw/zinc/04/23/33/637042333.db2.gz KIXVGXOBWVKCOQ-INIZCTEOSA-N 1 3 272.436 2.455 20 30 CEEDHO C#CC1CCN([C@@H](C)CC[NH+]2CCC(C#C)CC2)CC1 ZINC000830343042 637042335 /nfs/dbraw/zinc/04/23/35/637042335.db2.gz KIXVGXOBWVKCOQ-INIZCTEOSA-N 1 3 272.436 2.455 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000911840308 638432160 /nfs/dbraw/zinc/43/21/60/638432160.db2.gz IIPJXSFDSRUCFM-HNNXBMFYSA-N 1 3 281.444 2.099 20 30 CEEDHO C=CCCC[C@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000912015085 638523018 /nfs/dbraw/zinc/52/30/18/638523018.db2.gz UKMCZHSUEQVTEV-AWEZNQCLSA-N 1 3 281.444 2.051 20 30 CEEDHO C#C[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020684 641525052 /nfs/dbraw/zinc/52/50/52/641525052.db2.gz CYGFUOUZQLJYNX-OSFIAYCASA-N 1 3 270.420 2.233 20 30 CEEDHO C#C[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020684 641525056 /nfs/dbraw/zinc/52/50/56/641525056.db2.gz CYGFUOUZQLJYNX-OSFIAYCASA-N 1 3 270.420 2.233 20 30 CEEDHO CCN(CC)[C@H](CNC(NC1CC1)=[NH+]C)CC(C)C ZINC000848984191 642206511 /nfs/dbraw/zinc/20/65/11/642206511.db2.gz XCOMSFINAXIBKJ-AWEZNQCLSA-N 1 3 268.449 2.070 20 30 CEEDHO CN(CCOCCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212411 645421731 /nfs/dbraw/zinc/42/17/31/645421731.db2.gz JFULJWRLKBBITC-UHFFFAOYSA-N 1 3 275.396 2.110 20 30 CEEDHO C=CCCn1cc(CNC2CCC(C)([NH+](C)C)CC2)nn1 ZINC000865764748 647457078 /nfs/dbraw/zinc/45/70/78/647457078.db2.gz OFJUFTGCLCOKBY-UHFFFAOYSA-N 1 3 291.443 2.207 20 30 CEEDHO N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000873239146 649605358 /nfs/dbraw/zinc/60/53/58/649605358.db2.gz OSXOEZMLHWNXCK-YOEHRIQHSA-N 1 3 298.434 2.244 20 30 CEEDHO C=C(C)CC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001271902973 806134972 /nfs/dbraw/zinc/13/49/72/806134972.db2.gz TZIWEOQJGFGHHE-JKSUJKDBSA-N 1 3 295.471 2.025 20 30 CEEDHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267110381 803136481 /nfs/dbraw/zinc/13/64/81/803136481.db2.gz BBADQPOXRVUUQG-JKSUJKDBSA-N 1 3 295.471 2.072 20 30 CEEDHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001267110381 803136487 /nfs/dbraw/zinc/13/64/87/803136487.db2.gz BBADQPOXRVUUQG-JKSUJKDBSA-N 1 3 295.471 2.072 20 30 CEEDHO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001284220096 804907444 /nfs/dbraw/zinc/90/74/44/804907444.db2.gz NCYLNEZHCKOHOX-HUUCEWRRSA-N 1 3 295.471 2.025 20 30 CEEDHO C=CCCC[C@H](N)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001122103189 815384896 /nfs/dbraw/zinc/38/48/96/815384896.db2.gz WKEBUPXTCYJILV-HNNXBMFYSA-N 1 3 293.455 2.004 20 30 CEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001038322514 810821490 /nfs/dbraw/zinc/82/14/90/810821490.db2.gz SAFWKDQOYMBJBR-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001038322514 810821497 /nfs/dbraw/zinc/82/14/97/810821497.db2.gz SAFWKDQOYMBJBR-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C#Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169101489 811373937 /nfs/dbraw/zinc/37/39/37/811373937.db2.gz STAXHSRACMBIET-BJWYYQGGSA-N 1 3 254.377 2.383 20 30 CEEDHO C#CCCC1(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)N=N1 ZINC001169124652 811392412 /nfs/dbraw/zinc/39/24/12/811392412.db2.gz RYKXEUOIWMXIIP-BTTYYORXSA-N 1 3 260.385 2.167 20 30 CEEDHO C#CCCC1(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N=N1 ZINC001169124652 811392424 /nfs/dbraw/zinc/39/24/24/811392424.db2.gz RYKXEUOIWMXIIP-BTTYYORXSA-N 1 3 260.385 2.167 20 30 CEEDHO C=CCN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517419 812869999 /nfs/dbraw/zinc/86/99/99/812869999.db2.gz CCAVAFSADUEDDX-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCN1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517421 812870573 /nfs/dbraw/zinc/87/05/73/812870573.db2.gz CCAVAFSADUEDDX-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133849600 813166372 /nfs/dbraw/zinc/16/63/72/813166372.db2.gz AJKUQAXTKKXDMP-OAHLLOKOSA-N 1 3 283.460 2.004 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171247521 814223201 /nfs/dbraw/zinc/22/32/01/814223201.db2.gz LLWUWZUYZINGRP-ZBFHGGJFSA-N 1 3 295.471 2.167 20 30 CEEDHO CC(C)N1CCN(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173589374 815754468 /nfs/dbraw/zinc/75/44/68/815754468.db2.gz WLNODFHXCWQYAM-UHFFFAOYSA-N 1 3 292.471 2.074 20 30 CEEDHO C=CC[NH2+]C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001202974222 816119663 /nfs/dbraw/zinc/11/96/63/816119663.db2.gz SSSSKPIEJMAKKP-UHFFFAOYSA-N 1 3 295.471 2.265 20 30 CEEDHO C#CCC[C@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC001179489423 816867571 /nfs/dbraw/zinc/86/75/71/816867571.db2.gz NLOVBVNHEUFKMB-KRWDZBQOSA-N 1 3 278.440 2.147 20 30 CEEDHO C=C(C)C[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179587366 816881568 /nfs/dbraw/zinc/88/15/68/816881568.db2.gz ZTWSRTDGTITFLW-MRXNPFEDSA-N 1 3 295.471 2.171 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179586016 816884828 /nfs/dbraw/zinc/88/48/28/816884828.db2.gz LNGZMKCYZHMPEI-MRXNPFEDSA-N 1 3 295.471 2.171 20 30 CEEDHO CC1CCN(C(=[NH2+])NCc2ccc(CN(C)C)cc2)CC1 ZINC000122460768 365627883 /nfs/dbraw/zinc/62/78/83/365627883.db2.gz PIDSZKHSSRCVAA-UHFFFAOYSA-N 1 3 288.439 2.295 20 30 CEEDHO C[NH+]=C(NCC[C@H](C)N(C)Cc1ccccc1)NC1CC1 ZINC000081777950 344064386 /nfs/dbraw/zinc/06/43/86/344064386.db2.gz HKAPJMLEQLTNST-AWEZNQCLSA-N 1 3 288.439 2.224 20 30 CEEDHO CC(C)[N@@H+](C)CCCN[C@H](C)CC1(C#N)CCOCC1 ZINC000602512790 347062843 /nfs/dbraw/zinc/06/28/43/347062843.db2.gz ZCDOKGYUPDXOAP-OAHLLOKOSA-N 1 3 281.444 2.405 20 30 CEEDHO CC(C)[N@H+](C)CCCN[C@H](C)CC1(C#N)CCOCC1 ZINC000602512790 347062844 /nfs/dbraw/zinc/06/28/44/347062844.db2.gz ZCDOKGYUPDXOAP-OAHLLOKOSA-N 1 3 281.444 2.405 20 30 CEEDHO CC(C)N(C)CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602512790 347062846 /nfs/dbraw/zinc/06/28/46/347062846.db2.gz ZCDOKGYUPDXOAP-OAHLLOKOSA-N 1 3 281.444 2.405 20 30 CEEDHO CC[C@@H](CC#N)NC1CCN(c2cc[nH+]cc2)CC1 ZINC000054183359 362518150 /nfs/dbraw/zinc/51/81/50/362518150.db2.gz XSXMOSJKZJKQAA-ZDUSSCGKSA-N 1 3 258.369 2.332 20 30 CEEDHO N#Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000591573260 345265159 /nfs/dbraw/zinc/26/51/59/345265159.db2.gz CEOBJZYSGQZART-JSGCOSHPSA-N 1 3 263.772 2.429 20 30 CEEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCNCC3)CC2)cc1 ZINC000591578278 345266086 /nfs/dbraw/zinc/26/60/86/345266086.db2.gz LEVKNRGWPVNVLK-INIZCTEOSA-N 1 3 298.434 2.259 20 30 CEEDHO N#CCc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000592470742 345358223 /nfs/dbraw/zinc/35/82/23/345358223.db2.gz GRMNHKNBFOQOSN-HOTGVXAUSA-N 1 3 257.381 2.360 20 30 CEEDHO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000595073182 345739690 /nfs/dbraw/zinc/73/96/90/345739690.db2.gz SXMODRFFERNGTB-KURKYZTESA-N 1 3 299.418 2.035 20 30 CEEDHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596652368 346072148 /nfs/dbraw/zinc/07/21/48/346072148.db2.gz SSNLCDTXEZBFSP-XJKSGUPXSA-N 1 3 257.381 2.078 20 30 CEEDHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccc(C#N)cc1 ZINC000596652368 346072150 /nfs/dbraw/zinc/07/21/50/346072150.db2.gz SSNLCDTXEZBFSP-XJKSGUPXSA-N 1 3 257.381 2.078 20 30 CEEDHO C=CCCCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560538 351414514 /nfs/dbraw/zinc/41/45/14/351414514.db2.gz FOGJBVBLNYRCDX-WDEREUQCSA-N 1 3 250.308 2.412 20 30 CEEDHO CN1CCC[C@@H]2C[N@H+](CCCSCC#N)CC[C@@H]21 ZINC000158748484 366860492 /nfs/dbraw/zinc/86/04/92/366860492.db2.gz RZCUEAOXLLILQV-KGLIPLIRSA-N 1 3 267.442 2.049 20 30 CEEDHO CN1CCC[C@@H]2C[N@@H+](CCCSCC#N)CC[C@@H]21 ZINC000158748484 366860497 /nfs/dbraw/zinc/86/04/97/366860497.db2.gz RZCUEAOXLLILQV-KGLIPLIRSA-N 1 3 267.442 2.049 20 30 CEEDHO C[NH+](C)CC1CCC(NCc2nc(C#N)cs2)CC1 ZINC000352839605 369906707 /nfs/dbraw/zinc/90/67/07/369906707.db2.gz NKGIFZDWZORKTR-UHFFFAOYSA-N 1 3 278.425 2.225 20 30 CEEDHO C#CCSCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000231936699 370498861 /nfs/dbraw/zinc/49/88/61/370498861.db2.gz IFLSFOOBDKHOAM-UHFFFAOYSA-N 1 3 275.421 2.006 20 30 CEEDHO CN(C)C(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000246852769 371021503 /nfs/dbraw/zinc/02/15/03/371021503.db2.gz CEZNZLNMMZYBEC-AAEUAGOBSA-N 1 3 280.441 2.007 20 30 CEEDHO C[NH+]=C(NCCN(C(C)C)C(C)C)NCc1ccco1 ZINC000264081435 371965185 /nfs/dbraw/zinc/96/51/85/371965185.db2.gz USHTVDNLZJWAIZ-UHFFFAOYSA-N 1 3 280.416 2.063 20 30 CEEDHO C=CCCCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000565755832 377694855 /nfs/dbraw/zinc/69/48/55/377694855.db2.gz GMCKELADYUAFPR-KRWDZBQOSA-N 1 3 279.472 2.445 20 30 CEEDHO C=CCCCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000565755832 377694861 /nfs/dbraw/zinc/69/48/61/377694861.db2.gz GMCKELADYUAFPR-KRWDZBQOSA-N 1 3 279.472 2.445 20 30 CEEDHO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCN1 ZINC000332380648 394637469 /nfs/dbraw/zinc/63/74/69/394637469.db2.gz GMJNZDKWGRWGEG-YOEHRIQHSA-N 1 3 298.434 2.257 20 30 CEEDHO N#Cc1cccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000268954875 394703871 /nfs/dbraw/zinc/70/38/71/394703871.db2.gz FZPIXEQDQSGVDD-ZWKOTPCHSA-N 1 3 299.418 2.026 20 30 CEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1ccccc1 ZINC000104153211 394717793 /nfs/dbraw/zinc/71/77/93/394717793.db2.gz SXDLHTVDABXPQJ-INIZCTEOSA-N 1 3 288.439 2.008 20 30 CEEDHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000362236450 394850068 /nfs/dbraw/zinc/85/00/68/394850068.db2.gz FQWXFVMUZRJOGV-JJTUDDRGSA-N 1 3 291.439 2.158 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000153556152 395010347 /nfs/dbraw/zinc/01/03/47/395010347.db2.gz HZUBFDREHRWKQM-QGZVFWFLSA-N 1 3 286.423 2.131 20 30 CEEDHO C=CC[C@H]1CC[C@H]([NH2+]CCCN2CCCN(C)CC2)C1 ZINC000651952924 401423259 /nfs/dbraw/zinc/42/32/59/401423259.db2.gz IETLKLYORKZOFO-IRXDYDNUSA-N 1 3 279.472 2.348 20 30 CEEDHO C=CCN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)COC ZINC000662299742 415762144 /nfs/dbraw/zinc/76/21/44/415762144.db2.gz WOTJUFOZWWIIHH-CQSZACIVSA-N 1 3 274.408 2.355 20 30 CEEDHO C=CCN(Cc1cccc2c1CC[NH2+]C2)[C@@H](C)COC ZINC000662299707 415763221 /nfs/dbraw/zinc/76/32/21/415763221.db2.gz VUEUMGMGMNMBPJ-AWEZNQCLSA-N 1 3 274.408 2.355 20 30 CEEDHO C=CCCCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325204 415781102 /nfs/dbraw/zinc/78/11/02/415781102.db2.gz CPRNVPVSLNXXNK-OAHLLOKOSA-N 1 3 254.418 2.385 20 30 CEEDHO C=CC[C@]1(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662680423 415928998 /nfs/dbraw/zinc/92/89/98/415928998.db2.gz VAEAWRNLIZNABS-HLLBOEOZSA-N 1 3 293.455 2.064 20 30 CEEDHO C=CCOc1ccc(C[NH2+][C@@H](C)CN)cc1Cl ZINC000414945887 263155081 /nfs/dbraw/zinc/15/50/81/263155081.db2.gz RESUVUKIWHTJPI-JTQLQIEISA-N 1 3 254.761 2.342 20 30 CEEDHO CN(C)C(=[NH+]C[C@@H]1CCN(C)[C@H]1c1cccs1)N(C)C ZINC000370163356 267296446 /nfs/dbraw/zinc/29/64/46/267296446.db2.gz SJLALFCEHXSQEL-GXTWGEPZSA-N 1 3 294.468 2.220 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347093709 279180933 /nfs/dbraw/zinc/18/09/33/279180933.db2.gz BMJIXADIGVWWMK-ILXRZTDVSA-N 1 3 277.412 2.259 20 30 CEEDHO CC(C#N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000347093709 279180934 /nfs/dbraw/zinc/18/09/34/279180934.db2.gz BMJIXADIGVWWMK-ILXRZTDVSA-N 1 3 277.412 2.259 20 30 CEEDHO C=C(C)COCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000181343373 329231926 /nfs/dbraw/zinc/23/19/26/329231926.db2.gz ZLDHGEDTWILFDI-UHFFFAOYSA-N 1 3 254.418 2.432 20 30 CEEDHO CC(C)NC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262417095 330009009 /nfs/dbraw/zinc/00/90/09/330009009.db2.gz QIVYDSRUQPRXBG-TZMCWYRMSA-N 1 3 294.468 2.444 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422832243 330156780 /nfs/dbraw/zinc/15/67/80/330156780.db2.gz KYISELWRPIHLNB-IXDOHACOSA-N 1 3 279.472 2.273 20 30 CEEDHO C=C(CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000423021942 330165667 /nfs/dbraw/zinc/16/56/67/330165667.db2.gz DBCKQHFDCDEZDI-FVQBIDKESA-N 1 3 260.381 2.042 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423095699 330169752 /nfs/dbraw/zinc/16/97/52/330169752.db2.gz MZVZKZRFTBQEEB-XQLPTFJDSA-N 1 3 252.402 2.088 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000352125903 534285540 /nfs/dbraw/zinc/28/55/40/534285540.db2.gz NSFTTXFGARZCAL-AIANPOQGSA-N 1 3 299.418 2.419 20 30 CEEDHO CC(C#N)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000352125903 534285543 /nfs/dbraw/zinc/28/55/43/534285543.db2.gz NSFTTXFGARZCAL-AIANPOQGSA-N 1 3 299.418 2.419 20 30 CEEDHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)C#N)C1 ZINC000347102706 529297711 /nfs/dbraw/zinc/29/77/11/529297711.db2.gz HTSQWTKLNKZMEW-QWHCGFSZSA-N 1 3 265.401 2.163 20 30 CEEDHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)C#N)C1 ZINC000347102706 529297713 /nfs/dbraw/zinc/29/77/13/529297713.db2.gz HTSQWTKLNKZMEW-QWHCGFSZSA-N 1 3 265.401 2.163 20 30 CEEDHO C=CC[NH+]1CCC(NC(=O)CN(C)CCCCCC)CC1 ZINC000732289650 574618415 /nfs/dbraw/zinc/61/84/15/574618415.db2.gz VGDMKTVFBIPPNK-UHFFFAOYSA-N 1 3 295.471 2.265 20 30 CEEDHO C#C[C@@H](NCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000894574378 629541069 /nfs/dbraw/zinc/54/10/69/629541069.db2.gz DXULAAYSDRDHLS-MRXNPFEDSA-N 1 3 260.356 2.431 20 30 CEEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303902678 631093652 /nfs/dbraw/zinc/09/36/52/631093652.db2.gz XZGSQBHAEKLTQC-OAHLLOKOSA-N 1 3 280.460 2.442 20 30 CEEDHO COc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000817916073 633774657 /nfs/dbraw/zinc/77/46/57/633774657.db2.gz ULOJAFHOYARJBZ-ZFWWWQNUSA-N 1 3 273.380 2.174 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911848774 638443586 /nfs/dbraw/zinc/44/35/86/638443586.db2.gz WXTNHNKLCBJOEY-SMDDNHRTSA-N 1 3 261.369 2.328 20 30 CEEDHO CC(C)(CNC(=[NH2+])Nc1ccccn1)N1CCCCC1 ZINC000170906370 639683821 /nfs/dbraw/zinc/68/38/21/639683821.db2.gz ZDZLGGPCHVAOOI-UHFFFAOYSA-N 1 3 275.400 2.073 20 30 CEEDHO C=CCN1CCC(Nc2cc[nH+]cc2C2CC2)CC1 ZINC000872446436 649393477 /nfs/dbraw/zinc/39/34/77/649393477.db2.gz GVVCMDKUIZCMAW-UHFFFAOYSA-N 1 3 257.381 2.443 20 30 CEEDHO C#CC[N@@H+](C)CCCNCc1ccc(SC)c(OC)c1 ZINC000883131730 652372536 /nfs/dbraw/zinc/37/25/36/652372536.db2.gz PQQWVHLKWJEPGG-UHFFFAOYSA-N 1 3 292.448 2.462 20 30 CEEDHO C#CC[N@H+](C)CCCNCc1ccc(SC)c(OC)c1 ZINC000883131730 652372540 /nfs/dbraw/zinc/37/25/40/652372540.db2.gz PQQWVHLKWJEPGG-UHFFFAOYSA-N 1 3 292.448 2.462 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCCC1 ZINC001115571956 814723916 /nfs/dbraw/zinc/72/39/16/814723916.db2.gz WHIXVDPFIAKOHK-UHFFFAOYSA-N 1 3 293.455 2.065 20 30 CEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879737 804315259 /nfs/dbraw/zinc/31/52/59/804315259.db2.gz XCUFHXOPCWGEFK-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879737 804315261 /nfs/dbraw/zinc/31/52/61/804315261.db2.gz XCUFHXOPCWGEFK-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001268158508 804493577 /nfs/dbraw/zinc/49/35/77/804493577.db2.gz FTXZDRRSLVZVQU-HZPDHXFCSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001268239060 804566503 /nfs/dbraw/zinc/56/65/03/804566503.db2.gz OWEGPICSOJMQRL-OAHLLOKOSA-N 1 3 295.471 2.216 20 30 CEEDHO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001268239060 804566507 /nfs/dbraw/zinc/56/65/07/804566507.db2.gz OWEGPICSOJMQRL-OAHLLOKOSA-N 1 3 295.471 2.216 20 30 CEEDHO C=C(C)CC[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001270791948 805551218 /nfs/dbraw/zinc/55/12/18/805551218.db2.gz SQZCAUJAHJIQQB-HNNXBMFYSA-N 1 3 295.471 2.311 20 30 CEEDHO CCCCCCCOC(=O)NCCCN(C)CCC[NH3+] ZINC001239321165 808568985 /nfs/dbraw/zinc/56/89/85/808568985.db2.gz GVEBKBYJTVXPNO-UHFFFAOYSA-N 1 3 287.448 2.354 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122185575 815391787 /nfs/dbraw/zinc/39/17/87/815391787.db2.gz UYTUKVJMZOUYSR-ZNMIVQPWSA-N 1 3 281.444 2.027 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001273428517 811128454 /nfs/dbraw/zinc/12/84/54/811128454.db2.gz PDWFMKAWJKSWIF-CVEARBPZSA-N 1 3 295.471 2.119 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001273428517 811128457 /nfs/dbraw/zinc/12/84/57/811128457.db2.gz PDWFMKAWJKSWIF-CVEARBPZSA-N 1 3 295.471 2.119 20 30 CEEDHO CC[NH+](CC)CCCN1CCN([C@H](C)CCCC#N)CC1 ZINC001172502773 815456692 /nfs/dbraw/zinc/45/66/92/815456692.db2.gz WMMVTZGDUYLAMA-QGZVFWFLSA-N 1 3 294.487 2.418 20 30 CEEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052717741 812452436 /nfs/dbraw/zinc/45/24/36/812452436.db2.gz YOXINVDELUUPTH-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052717741 812452440 /nfs/dbraw/zinc/45/24/40/812452440.db2.gz YOXINVDELUUPTH-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCCCCCC[C@H](O)C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246026624 813665007 /nfs/dbraw/zinc/66/50/07/813665007.db2.gz WLJSLQRIOSHSQR-DLBZAZTESA-N 1 3 298.471 2.050 20 30 CEEDHO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246026624 813665015 /nfs/dbraw/zinc/66/50/15/813665015.db2.gz WLJSLQRIOSHSQR-DLBZAZTESA-N 1 3 298.471 2.050 20 30 CEEDHO C#CCC[NH2+]CCCCCCNC(=O)C(C)(C)N(C)CC ZINC001178853373 816804362 /nfs/dbraw/zinc/80/43/62/816804362.db2.gz ICDZMYCDQSHJHC-UHFFFAOYSA-N 1 3 295.471 2.006 20 30 CEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179549912 816877546 /nfs/dbraw/zinc/87/75/46/816877546.db2.gz LYJMATZLGZKBJV-GJZGRUSLSA-N 1 3 295.471 2.119 20 30 CEEDHO CCC1([NH+]2CCCC2)CCN(C(=O)C(C)C#N)CC1 ZINC000601745382 346890322 /nfs/dbraw/zinc/89/03/22/346890322.db2.gz SOUYYQZAQBMNMN-ZDUSSCGKSA-N 1 3 263.385 2.013 20 30 CEEDHO C=CC[C@@H](C)[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128323829 365784299 /nfs/dbraw/zinc/78/42/99/365784299.db2.gz MYSRWPYMMKCHLM-CVEARBPZSA-N 1 3 267.461 2.204 20 30 CEEDHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522996 347066192 /nfs/dbraw/zinc/06/61/92/347066192.db2.gz YCBDNPNJEMFBJM-GJZGRUSLSA-N 1 3 279.428 2.017 20 30 CEEDHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522996 347066194 /nfs/dbraw/zinc/06/61/94/347066194.db2.gz YCBDNPNJEMFBJM-GJZGRUSLSA-N 1 3 279.428 2.017 20 30 CEEDHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522996 347066197 /nfs/dbraw/zinc/06/61/97/347066197.db2.gz YCBDNPNJEMFBJM-GJZGRUSLSA-N 1 3 279.428 2.017 20 30 CEEDHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1F ZINC000591579983 345266779 /nfs/dbraw/zinc/26/67/79/345266779.db2.gz DFXWUUXPOVZLLB-IAQYHMDHSA-N 1 3 273.355 2.490 20 30 CEEDHO C[C@@H]1C[C@H](CN2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581064 345651023 /nfs/dbraw/zinc/65/10/23/345651023.db2.gz JDJPCGDHZYTUPX-TZMCWYRMSA-N 1 3 255.365 2.262 20 30 CEEDHO CC[C@@H]1CN(CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595895927 345909230 /nfs/dbraw/zinc/90/92/30/345909230.db2.gz WKVJTUZRZJDCQO-HZPDHXFCSA-N 1 3 257.381 2.160 20 30 CEEDHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000597697206 346217648 /nfs/dbraw/zinc/21/76/48/346217648.db2.gz DQMLAQQRCPSXJB-OIISXLGYSA-N 1 3 299.418 2.310 20 30 CEEDHO N#C[C@@H]1CCC[C@H]1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000061891804 362697755 /nfs/dbraw/zinc/69/77/55/362697755.db2.gz WVYPTRHNUINBDN-XJKSGUPXSA-N 1 3 270.380 2.332 20 30 CEEDHO Cc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1C#N ZINC000600710814 346676111 /nfs/dbraw/zinc/67/61/11/346676111.db2.gz PSOJMFVRNTXAIA-AWEZNQCLSA-N 1 3 257.381 2.428 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602683126 347143421 /nfs/dbraw/zinc/14/34/21/347143421.db2.gz PKQNZGQVCMTMOK-HNSVSWJLSA-N 1 3 291.439 2.300 20 30 CEEDHO C[C@@H](CC1(C#N)CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602683126 347143424 /nfs/dbraw/zinc/14/34/24/347143424.db2.gz PKQNZGQVCMTMOK-HNSVSWJLSA-N 1 3 291.439 2.300 20 30 CEEDHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000069160377 362955560 /nfs/dbraw/zinc/95/55/60/362955560.db2.gz XPXQZESMZHNKOH-INIZCTEOSA-N 1 3 257.381 2.380 20 30 CEEDHO CN(C)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337139323 366036571 /nfs/dbraw/zinc/03/65/71/366036571.db2.gz SCVDTKAJMCXTEB-UHFFFAOYSA-N 1 3 279.428 2.113 20 30 CEEDHO N#CCC1(CN2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000088259500 363886889 /nfs/dbraw/zinc/88/68/89/363886889.db2.gz NPDKWYXCCQPDJE-UHFFFAOYSA-N 1 3 261.413 2.488 20 30 CEEDHO C=CCOc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000346678712 368766270 /nfs/dbraw/zinc/76/62/70/368766270.db2.gz LSVHLNBSFYSPQJ-DZGCQCFKSA-N 1 3 260.381 2.421 20 30 CEEDHO C#CCCOc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194543382 370050884 /nfs/dbraw/zinc/05/08/84/370050884.db2.gz KHEWEKCIDGOULJ-CALCHBBNSA-N 1 3 284.403 2.082 20 30 CEEDHO C#CCCOc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000194543382 370050888 /nfs/dbraw/zinc/05/08/88/370050888.db2.gz KHEWEKCIDGOULJ-CALCHBBNSA-N 1 3 284.403 2.082 20 30 CEEDHO C=CCOc1cccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000194543708 370051025 /nfs/dbraw/zinc/05/10/25/370051025.db2.gz DONZUKPIYRFHTA-IYBDPMFKSA-N 1 3 272.392 2.245 20 30 CEEDHO C=CCOc1cccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000194543708 370051028 /nfs/dbraw/zinc/05/10/28/370051028.db2.gz DONZUKPIYRFHTA-IYBDPMFKSA-N 1 3 272.392 2.245 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CC1 ZINC000367613433 373168321 /nfs/dbraw/zinc/16/83/21/373168321.db2.gz FNHXZXSCENXGGJ-RCCFBDPRSA-N 1 3 291.483 2.489 20 30 CEEDHO CC(C#N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309953546 376608718 /nfs/dbraw/zinc/60/87/18/376608718.db2.gz HLOZPNYGGLRYRZ-PVAVHDDUSA-N 1 3 297.402 2.127 20 30 CEEDHO CC(C#N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309953546 376608723 /nfs/dbraw/zinc/60/87/23/376608723.db2.gz HLOZPNYGGLRYRZ-PVAVHDDUSA-N 1 3 297.402 2.127 20 30 CEEDHO COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2N)ccc1C#N ZINC000423128681 377026737 /nfs/dbraw/zinc/02/67/37/377026737.db2.gz WETNABZCVDGJIT-HUUCEWRRSA-N 1 3 273.380 2.316 20 30 CEEDHO CC[NH+](CC)CCOCCNCc1ccc(C#N)cc1 ZINC000350267896 284639270 /nfs/dbraw/zinc/63/92/70/284639270.db2.gz OYYUEKBWXNQDHQ-UHFFFAOYSA-N 1 3 275.396 2.006 20 30 CEEDHO COCC[N@H+](C)CCCC1CCN(CCCC#N)CC1 ZINC000122166592 394809587 /nfs/dbraw/zinc/80/95/87/394809587.db2.gz YLVVNRCMANHLEM-UHFFFAOYSA-N 1 3 281.444 2.361 20 30 CEEDHO COCC[N@@H+](C)CCCC1CCN(CCCC#N)CC1 ZINC000122166592 394809591 /nfs/dbraw/zinc/80/95/91/394809591.db2.gz YLVVNRCMANHLEM-UHFFFAOYSA-N 1 3 281.444 2.361 20 30 CEEDHO CC[NH+](CC)CCO[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000345731240 395074497 /nfs/dbraw/zinc/07/44/97/395074497.db2.gz SIPMJNIYMRWACD-HNNXBMFYSA-N 1 3 281.444 2.359 20 30 CEEDHO C=CCN1CCC([NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657353348 414878943 /nfs/dbraw/zinc/87/89/43/414878943.db2.gz QOMFQQFNXPLBKB-UHFFFAOYSA-N 1 3 297.406 2.007 20 30 CEEDHO C=CC[NH+]1CCC(NCc2ccnn2-c2ccncc2)CC1 ZINC000657353348 414878947 /nfs/dbraw/zinc/87/89/47/414878947.db2.gz QOMFQQFNXPLBKB-UHFFFAOYSA-N 1 3 297.406 2.007 20 30 CEEDHO C=CCOCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665263095 415656481 /nfs/dbraw/zinc/65/64/81/415656481.db2.gz GCNAKNMYGSMGPZ-RRFJBIMHSA-N 1 3 252.402 2.089 20 30 CEEDHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442784137 264978045 /nfs/dbraw/zinc/97/80/45/264978045.db2.gz RKEQDAWLGDBQHR-GOEBONIOSA-N 1 3 287.407 2.409 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000357790047 266363492 /nfs/dbraw/zinc/36/34/92/266363492.db2.gz KMNJFJVQVOZZOD-JHJVBQTASA-N 1 3 265.401 2.019 20 30 CEEDHO C[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000397386744 267076195 /nfs/dbraw/zinc/07/61/95/267076195.db2.gz MFLXBQCLICQERJ-IOASZLSFSA-N 1 3 257.381 2.363 20 30 CEEDHO CC#CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000306460303 268048072 /nfs/dbraw/zinc/04/80/72/268048072.db2.gz BYAPQQNSEYXBIE-ROUUACIJSA-N 1 3 268.404 2.464 20 30 CEEDHO CC#CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000306460303 268048076 /nfs/dbraw/zinc/04/80/76/268048076.db2.gz BYAPQQNSEYXBIE-ROUUACIJSA-N 1 3 268.404 2.464 20 30 CEEDHO CN(C)C(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000178583611 329200878 /nfs/dbraw/zinc/20/08/78/329200878.db2.gz CEZNZLNMMZYBEC-DGCLKSJQSA-N 1 3 280.441 2.007 20 30 CEEDHO C=C(C)CN1CCC(N[C@@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422978674 330162212 /nfs/dbraw/zinc/16/22/12/330162212.db2.gz KBQCSGPHINXIIK-HOTGVXAUSA-N 1 3 265.445 2.147 20 30 CEEDHO C=C(C)CN1CCC(N[C@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422978673 330162291 /nfs/dbraw/zinc/16/22/91/330162291.db2.gz KBQCSGPHINXIIK-CVEARBPZSA-N 1 3 265.445 2.147 20 30 CEEDHO COC[C@@H](CCC[NH3+])N[C@@H](CCC#N)c1ccccc1 ZINC000422994126 330163250 /nfs/dbraw/zinc/16/32/50/330163250.db2.gz HARLSKQOFDBZHO-CVEARBPZSA-N 1 3 275.396 2.375 20 30 CEEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459562118 331287960 /nfs/dbraw/zinc/28/79/60/331287960.db2.gz CBKPQBPJGWWGSF-SJORKVTESA-N 1 3 287.407 2.374 20 30 CEEDHO CN(CCNC(=[NH2+])N1CCCCC1)C1CCCCC1 ZINC000104168555 624320419 /nfs/dbraw/zinc/32/04/19/624320419.db2.gz YHUQWCZQFTWPDX-UHFFFAOYSA-N 1 3 266.433 2.052 20 30 CEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000876538164 650311168 /nfs/dbraw/zinc/31/11/68/650311168.db2.gz MUIXCUHPZKDVLD-JOYOIKCWSA-N 1 3 267.760 2.115 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccccc1C[NH2+]CC ZINC000911685871 638356615 /nfs/dbraw/zinc/35/66/15/638356615.db2.gz VCCFVAVOUHGYDP-CQSZACIVSA-N 1 3 275.396 2.418 20 30 CEEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708295 638384181 /nfs/dbraw/zinc/38/41/81/638384181.db2.gz VPXKZNNGXNCDRD-HUUCEWRRSA-N 1 3 283.460 2.262 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NCC(C)(C)N1CCCCC1 ZINC000848981646 642204211 /nfs/dbraw/zinc/20/42/11/642204211.db2.gz JRLCAERGWDGTFV-UHFFFAOYSA-N 1 3 292.427 2.209 20 30 CEEDHO C#CCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849010954 642227369 /nfs/dbraw/zinc/22/73/69/642227369.db2.gz DHIOHWGBRTYYLY-UHFFFAOYSA-N 1 3 298.434 2.178 20 30 CEEDHO c1nncn1N=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781115234 647501027 /nfs/dbraw/zinc/50/10/27/647501027.db2.gz KERHYSAQCUFJPD-CVEARBPZSA-N 1 3 295.390 2.414 20 30 CEEDHO c1nncn1N=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000781115234 647501029 /nfs/dbraw/zinc/50/10/29/647501029.db2.gz KERHYSAQCUFJPD-CVEARBPZSA-N 1 3 295.390 2.414 20 30 CEEDHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001266466092 802614076 /nfs/dbraw/zinc/61/40/76/802614076.db2.gz JBJBQQKYTWFEPK-HOTGVXAUSA-N 1 3 295.471 2.073 20 30 CEEDHO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001266466092 802614079 /nfs/dbraw/zinc/61/40/79/802614079.db2.gz JBJBQQKYTWFEPK-HOTGVXAUSA-N 1 3 295.471 2.073 20 30 CEEDHO C=C(C)CN1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267622146 803628008 /nfs/dbraw/zinc/62/80/08/803628008.db2.gz NTMMFLDUQDNTPE-MRXNPFEDSA-N 1 3 293.455 2.019 20 30 CEEDHO C=CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001268052334 804336505 /nfs/dbraw/zinc/33/65/05/804336505.db2.gz CXMLSEWXRHHUDS-HNNXBMFYSA-N 1 3 295.471 2.167 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1CC ZINC001269184002 805072542 /nfs/dbraw/zinc/07/25/42/805072542.db2.gz XGCUXIKAIIVLRC-HOTGVXAUSA-N 1 3 295.471 2.121 20 30 CEEDHO N#CCC1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168391069 807056505 /nfs/dbraw/zinc/05/65/05/807056505.db2.gz LKFJRZHWBZTZTQ-UHFFFAOYSA-N 1 3 261.413 2.486 20 30 CEEDHO C=C(C)C[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168595522 808691076 /nfs/dbraw/zinc/69/10/76/808691076.db2.gz JWXCYSLGQKUIPW-UHFFFAOYSA-N 1 3 283.460 2.171 20 30 CEEDHO C=CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCC1 ZINC001273165789 810076834 /nfs/dbraw/zinc/07/68/34/810076834.db2.gz DXMVHCBRGGJDRI-OAHLLOKOSA-N 1 3 293.455 2.065 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001121913868 815366034 /nfs/dbraw/zinc/36/60/34/815366034.db2.gz LXWDHLAAFSMKQD-LSDHHAIUSA-N 1 3 295.471 2.297 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001121913868 815366042 /nfs/dbraw/zinc/36/60/42/815366042.db2.gz LXWDHLAAFSMKQD-LSDHHAIUSA-N 1 3 295.471 2.297 20 30 CEEDHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001169098625 811369618 /nfs/dbraw/zinc/36/96/18/811369618.db2.gz KBHGQOOXZBSKQK-CNDDSTCGSA-N 1 3 278.787 2.066 20 30 CEEDHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=N)c1ccc(Cl)cn1)C2 ZINC001169098625 811369629 /nfs/dbraw/zinc/36/96/29/811369629.db2.gz KBHGQOOXZBSKQK-CNDDSTCGSA-N 1 3 278.787 2.066 20 30 CEEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001113571579 812279933 /nfs/dbraw/zinc/27/99/33/812279933.db2.gz WJMNWFCHQXYZPP-MRXNPFEDSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCC[C@@H](C)N1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001113571579 812279939 /nfs/dbraw/zinc/27/99/39/812279939.db2.gz WJMNWFCHQXYZPP-MRXNPFEDSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132508032 812873669 /nfs/dbraw/zinc/87/36/69/812873669.db2.gz BPKFLUHAGVGVPY-HOTGVXAUSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052378168 812984860 /nfs/dbraw/zinc/98/48/60/812984860.db2.gz SNHRVWOGOMWGLU-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001052378168 812984869 /nfs/dbraw/zinc/98/48/69/812984869.db2.gz SNHRVWOGOMWGLU-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031771 813589869 /nfs/dbraw/zinc/58/98/69/813589869.db2.gz PUDNCQKAIVBBMH-OLZOCXBDSA-N 1 3 292.427 2.100 20 30 CEEDHO CCCCCCC[NH2+]CCNC(=O)CN(C)CCC ZINC001148654784 814594356 /nfs/dbraw/zinc/59/43/56/814594356.db2.gz AEIKFVUBQLJTBF-UHFFFAOYSA-N 1 3 271.449 2.004 20 30 CEEDHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC001115591899 814725750 /nfs/dbraw/zinc/72/57/50/814725750.db2.gz KETVMKOCJUMHLM-OAHLLOKOSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CCO[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC001116711531 814877341 /nfs/dbraw/zinc/87/73/41/814877341.db2.gz REBPXPMGEXNWJT-HNNXBMFYSA-N 1 3 252.402 2.139 20 30 CEEDHO C=CCO[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC001116711531 814877344 /nfs/dbraw/zinc/87/73/44/814877344.db2.gz REBPXPMGEXNWJT-HNNXBMFYSA-N 1 3 252.402 2.139 20 30 CEEDHO COCCC1([NH3+])CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173591204 815753741 /nfs/dbraw/zinc/75/37/41/815753741.db2.gz LLEQHRRQCKDSPI-UHFFFAOYSA-N 1 3 279.428 2.289 20 30 CEEDHO C=CCC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580244 816885391 /nfs/dbraw/zinc/88/53/91/816885391.db2.gz ARRNCJZCDYPKTR-INIZCTEOSA-N 1 3 295.471 2.313 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289685888 344682580 /nfs/dbraw/zinc/68/25/80/344682580.db2.gz HZISHMBYTZWCAM-DJIMGWMZSA-N 1 3 274.408 2.034 20 30 CEEDHO N#Cc1cccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593314278 345465542 /nfs/dbraw/zinc/46/55/42/345465542.db2.gz BOFKHBVYSJWTDX-OKZBNKHCSA-N 1 3 299.418 2.277 20 30 CEEDHO C=CC[C@H]1CC[C@H]([NH2+]CCCN(C)CCN(C)C)C1 ZINC000623087476 349934706 /nfs/dbraw/zinc/93/47/06/349934706.db2.gz TYMGPSHHPXMNBG-HOTGVXAUSA-N 1 3 267.461 2.204 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000600767259 346686154 /nfs/dbraw/zinc/68/61/54/346686154.db2.gz AHMYMAUVCKVLEV-KGLIPLIRSA-N 1 3 273.380 2.363 20 30 CEEDHO CC(C)[N@@H+]1CC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654465 347125528 /nfs/dbraw/zinc/12/55/28/347125528.db2.gz BVONIFKKQIWWBC-CVEARBPZSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C)[N@H+]1CC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654465 347125531 /nfs/dbraw/zinc/12/55/31/347125531.db2.gz BVONIFKKQIWWBC-CVEARBPZSA-N 1 3 293.455 2.405 20 30 CEEDHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654465 347125534 /nfs/dbraw/zinc/12/55/34/347125534.db2.gz BVONIFKKQIWWBC-CVEARBPZSA-N 1 3 293.455 2.405 20 30 CEEDHO C=CC[C@@H](Cc1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000629579838 351421292 /nfs/dbraw/zinc/42/12/92/351421292.db2.gz KBWAXYKREOHFEQ-ROUUACIJSA-N 1 3 288.435 2.220 20 30 CEEDHO C=CCOCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000310675845 540349750 /nfs/dbraw/zinc/34/97/50/540349750.db2.gz PJIYGEAOVJXCHN-RRFJBIMHSA-N 1 3 252.402 2.089 20 30 CEEDHO C=CCN1CCC([NH2+]C2CCN(CCC)CC2)CC1 ZINC000675828514 540876878 /nfs/dbraw/zinc/87/68/78/540876878.db2.gz QYRWLAUIPXPCCP-UHFFFAOYSA-N 1 3 265.445 2.101 20 30 CEEDHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000087833272 363871958 /nfs/dbraw/zinc/87/19/58/363871958.db2.gz FCVZFKGJJCCEBF-UHFFFAOYSA-N 1 3 287.407 2.340 20 30 CEEDHO CN1CCC[C@@H](C[N@H+](C)CCOc2ccccc2C#N)C1 ZINC000118842482 365181525 /nfs/dbraw/zinc/18/15/25/365181525.db2.gz RCFBPXSIKPKOQI-OAHLLOKOSA-N 1 3 287.407 2.211 20 30 CEEDHO CN1CCC[C@@H](C[N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000118842482 365181526 /nfs/dbraw/zinc/18/15/26/365181526.db2.gz RCFBPXSIKPKOQI-OAHLLOKOSA-N 1 3 287.407 2.211 20 30 CEEDHO C=C(CC)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716750 368836856 /nfs/dbraw/zinc/83/68/56/368836856.db2.gz ZBRTXOFZENEGAR-QGZVFWFLSA-N 1 3 274.408 2.179 20 30 CEEDHO C=C(CC)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716750 368836860 /nfs/dbraw/zinc/83/68/60/368836860.db2.gz ZBRTXOFZENEGAR-QGZVFWFLSA-N 1 3 274.408 2.179 20 30 CEEDHO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000186691515 369021033 /nfs/dbraw/zinc/02/10/33/369021033.db2.gz NINRYZGESYTWEH-GOEBONIOSA-N 1 3 292.423 2.215 20 30 CEEDHO CCN1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000246819345 371015827 /nfs/dbraw/zinc/01/58/27/371015827.db2.gz CDNWDNHRAKJPEI-BBRMVZONSA-N 1 3 257.381 2.378 20 30 CEEDHO C=CCN(CCOCC[N@H+](CC=C)C1CC1)C1CC1 ZINC000271389583 373189644 /nfs/dbraw/zinc/18/96/44/373189644.db2.gz JTLVBCRCNBSNPL-UHFFFAOYSA-N 1 3 264.413 2.304 20 30 CEEDHO C=CCN(CCOCC[N@@H+](CC=C)C1CC1)C1CC1 ZINC000271389583 373189658 /nfs/dbraw/zinc/18/96/58/373189658.db2.gz JTLVBCRCNBSNPL-UHFFFAOYSA-N 1 3 264.413 2.304 20 30 CEEDHO C=CCNC(=[NH2+])NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374006535 374464675 /nfs/dbraw/zinc/46/46/75/374464675.db2.gz UOOQMJPMTPUMGQ-KRWDZBQOSA-N 1 3 286.423 2.199 20 30 CEEDHO C#CCCOc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000291692521 377206929 /nfs/dbraw/zinc/20/69/29/377206929.db2.gz JEIGYRRFQBLGRY-OAHLLOKOSA-N 1 3 274.408 2.376 20 30 CEEDHO CC(C#N)C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000428451134 377494235 /nfs/dbraw/zinc/49/42/35/377494235.db2.gz YNAGSMRMLYUVKL-ZDUSSCGKSA-N 1 3 265.401 2.259 20 30 CEEDHO C(#CC[N@@H+]1CC[C@@H](C2CC2)C1)CN1CC[C@@H](C2CC2)C1 ZINC000556499295 380908512 /nfs/dbraw/zinc/90/85/12/380908512.db2.gz DNIMQLXJKKSFSO-QZTJIDSGSA-N 1 3 272.436 2.454 20 30 CEEDHO C(#CC[N@H+]1CC[C@@H](C2CC2)C1)CN1CC[C@@H](C2CC2)C1 ZINC000556499295 380908518 /nfs/dbraw/zinc/90/85/18/380908518.db2.gz DNIMQLXJKKSFSO-QZTJIDSGSA-N 1 3 272.436 2.454 20 30 CEEDHO CC[N@@H+]1CC[C@@H](N(C)CCCSCC#N)C[C@@H]1C ZINC000336707759 262381767 /nfs/dbraw/zinc/38/17/67/262381767.db2.gz IUYKGFPIFLMSGA-UONOGXRCSA-N 1 3 269.458 2.438 20 30 CEEDHO CC[N@H+]1CC[C@@H](N(C)CCCSCC#N)C[C@@H]1C ZINC000336707759 262381769 /nfs/dbraw/zinc/38/17/69/262381769.db2.gz IUYKGFPIFLMSGA-UONOGXRCSA-N 1 3 269.458 2.438 20 30 CEEDHO CC(C#N)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000335149303 394742865 /nfs/dbraw/zinc/74/28/65/394742865.db2.gz MDEPLNPGDUPOGB-CQSZACIVSA-N 1 3 297.402 2.195 20 30 CEEDHO CC(C#N)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000335149303 394742868 /nfs/dbraw/zinc/74/28/68/394742868.db2.gz MDEPLNPGDUPOGB-CQSZACIVSA-N 1 3 297.402 2.195 20 30 CEEDHO CCNC(NC[C@@H]1CCN(C)[C@@H]1c1cccs1)=[NH+]CC ZINC000361944864 394839009 /nfs/dbraw/zinc/83/90/09/394839009.db2.gz RCOSJWPAYYLKRC-JSGCOSHPSA-N 1 3 294.468 2.316 20 30 CEEDHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000362236451 394849892 /nfs/dbraw/zinc/84/98/92/394849892.db2.gz FQWXFVMUZRJOGV-UUAJXVIYSA-N 1 3 291.439 2.158 20 30 CEEDHO C=C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000289647492 395082595 /nfs/dbraw/zinc/08/25/95/395082595.db2.gz GBCCAITUKPVGTN-ZJPYXAASSA-N 1 3 286.419 2.319 20 30 CEEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)CN(C)C ZINC000291989803 263126908 /nfs/dbraw/zinc/12/69/08/263126908.db2.gz WGMLNKLGZDSVIM-GFCCVEGCSA-N 1 3 274.412 2.100 20 30 CEEDHO CCN1CCN(CCCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185777366 329331534 /nfs/dbraw/zinc/33/15/34/329331534.db2.gz FPCIZMCQNYFEIM-SJORKVTESA-N 1 3 292.471 2.076 20 30 CEEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)C(C)C ZINC000422827687 330156635 /nfs/dbraw/zinc/15/66/35/330156635.db2.gz FAWXOZPRSLGXSB-BZUAXINKSA-N 1 3 265.445 2.154 20 30 CEEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422827687 330156636 /nfs/dbraw/zinc/15/66/36/330156636.db2.gz FAWXOZPRSLGXSB-BZUAXINKSA-N 1 3 265.445 2.154 20 30 CEEDHO C=C[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987829 330163001 /nfs/dbraw/zinc/16/30/01/330163001.db2.gz HLLYVCDDOFRMHJ-BJJXKVORSA-N 1 3 258.365 2.406 20 30 CEEDHO C=CCC[C@@H](CCC)NC[C@]1(COC)CCC[NH2+]1 ZINC000423447401 330202628 /nfs/dbraw/zinc/20/26/28/330202628.db2.gz ZQSKGZTXQKYQEJ-CABCVRRESA-N 1 3 254.418 2.480 20 30 CEEDHO C=CCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000348838603 527196926 /nfs/dbraw/zinc/19/69/26/527196926.db2.gz QFIDEHVGVBZWLM-UHFFFAOYSA-N 1 3 279.472 2.302 20 30 CEEDHO C[C@@H]1CN(Cc2ccccc2)CCC1=Nn1cnnc1 ZINC000734361236 574710665 /nfs/dbraw/zinc/71/06/65/574710665.db2.gz AFCZFHLIGXGCEJ-CYBMUJFWSA-N 1 3 269.352 2.024 20 30 CEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=Nn1cnnc1 ZINC000734361236 574710668 /nfs/dbraw/zinc/71/06/68/574710668.db2.gz AFCZFHLIGXGCEJ-CYBMUJFWSA-N 1 3 269.352 2.024 20 30 CEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=Nn1cnnc1 ZINC000734361236 574710672 /nfs/dbraw/zinc/71/06/72/574710672.db2.gz AFCZFHLIGXGCEJ-CYBMUJFWSA-N 1 3 269.352 2.024 20 30 CEEDHO CC(C#N)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751051406 575282593 /nfs/dbraw/zinc/28/25/93/575282593.db2.gz VRYBVEUHTAPVAL-HSBZDZAISA-N 1 3 263.385 2.059 20 30 CEEDHO CCc1ccc(NC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000104153961 624319659 /nfs/dbraw/zinc/31/96/59/624319659.db2.gz PWGNPHDVQNFFLN-HNNXBMFYSA-N 1 3 274.412 2.460 20 30 CEEDHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(C#N)c1 ZINC000925785462 628823465 /nfs/dbraw/zinc/82/34/65/628823465.db2.gz UMQVWHSVWQJKPL-SMDDNHRTSA-N 1 3 279.334 2.454 20 30 CEEDHO C#C[C@@H](CC)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000809686208 632127016 /nfs/dbraw/zinc/12/70/16/632127016.db2.gz ALRGAOZAQUNAKY-HNNXBMFYSA-N 1 3 260.381 2.128 20 30 CEEDHO C#CCOc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000809729258 632133299 /nfs/dbraw/zinc/13/32/99/632133299.db2.gz CANBTHCICKZSMB-UHFFFAOYSA-N 1 3 260.381 2.082 20 30 CEEDHO C#CCOc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000809729258 632133304 /nfs/dbraw/zinc/13/33/04/632133304.db2.gz CANBTHCICKZSMB-UHFFFAOYSA-N 1 3 260.381 2.082 20 30 CEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000876509115 650295595 /nfs/dbraw/zinc/29/55/95/650295595.db2.gz HZIXXHPTMOAOEC-ZDUSSCGKSA-N 1 3 281.787 2.205 20 30 CEEDHO C=C(C)CNC(=[NH2+])NCC1(N(C)C)CCCCCC1 ZINC000848982154 642204294 /nfs/dbraw/zinc/20/42/94/642204294.db2.gz FZCYFMTYWGXNLT-UHFFFAOYSA-N 1 3 266.433 2.331 20 30 CEEDHO C=CCC(C)(C)CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849031121 642243643 /nfs/dbraw/zinc/24/36/43/642243643.db2.gz UXFBUOKFQWUBIE-ZDUSSCGKSA-N 1 3 266.433 2.187 20 30 CEEDHO C#CCOCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000852041327 643275373 /nfs/dbraw/zinc/27/53/73/643275373.db2.gz SAHGUIGFQYIMLM-IBGZPJMESA-N 1 3 298.430 2.234 20 30 CEEDHO C#CCOCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000852041327 643275379 /nfs/dbraw/zinc/27/53/79/643275379.db2.gz SAHGUIGFQYIMLM-IBGZPJMESA-N 1 3 298.430 2.234 20 30 CEEDHO CC(=NNc1ccnc(C)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000863159471 646658403 /nfs/dbraw/zinc/65/84/03/646658403.db2.gz SSSJEXJVUFVXTI-UHFFFAOYSA-N 1 3 294.402 2.336 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000865847921 647492333 /nfs/dbraw/zinc/49/23/33/647492333.db2.gz PSSRNYGUVAQELA-KSZLIROESA-N 1 3 281.403 2.242 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000865847921 647492336 /nfs/dbraw/zinc/49/23/36/647492336.db2.gz PSSRNYGUVAQELA-KSZLIROESA-N 1 3 281.403 2.242 20 30 CEEDHO C[NH+]1CCC(CN2CCN(c3ccccc3C#N)CC2)CC1 ZINC000788475637 648192266 /nfs/dbraw/zinc/19/22/66/648192266.db2.gz HRTYGYALVVANQH-UHFFFAOYSA-N 1 3 298.434 2.022 20 30 CEEDHO N#Cc1ccc2c(c1)C[C@H](N[C@H]1CCCCC[C@H]1[NH3+])C2 ZINC000873274447 649620795 /nfs/dbraw/zinc/62/07/95/649620795.db2.gz DHIHAVASHDISKB-ZACQAIPSSA-N 1 3 269.392 2.275 20 30 CEEDHO C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCCN1C(C)C ZINC001127066276 807002504 /nfs/dbraw/zinc/00/25/04/807002504.db2.gz KUSAGJCBANNKCU-MRXNPFEDSA-N 1 3 295.471 2.311 20 30 CEEDHO C=CC[NH2+][C@@H](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001267154767 803170057 /nfs/dbraw/zinc/17/00/57/803170057.db2.gz JYKZUZWJHVDUTE-AWEZNQCLSA-N 1 3 289.423 2.032 20 30 CEEDHO C=CCC[N@@H+](C)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001267604500 803598149 /nfs/dbraw/zinc/59/81/49/803598149.db2.gz SRAVFKCNSHKMPE-UHFFFAOYSA-N 1 3 295.471 2.075 20 30 CEEDHO C=CCC[N@H+](C)CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001267604500 803598152 /nfs/dbraw/zinc/59/81/52/803598152.db2.gz SRAVFKCNSHKMPE-UHFFFAOYSA-N 1 3 295.471 2.075 20 30 CEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001267898164 803809445 /nfs/dbraw/zinc/80/94/45/803809445.db2.gz RTWUWULAPXIPNV-HOTGVXAUSA-N 1 3 295.471 2.121 20 30 CEEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027918144 804342317 /nfs/dbraw/zinc/34/23/17/804342317.db2.gz KQUPUYDNVNKYPO-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001027918144 804342324 /nfs/dbraw/zinc/34/23/24/804342324.db2.gz KQUPUYDNVNKYPO-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001019468043 810713790 /nfs/dbraw/zinc/71/37/90/810713790.db2.gz DXOIRAKYKQFMMN-JKSUJKDBSA-N 1 3 293.455 2.016 20 30 CEEDHO C#CCCC1(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)N=N1 ZINC001169124653 811392263 /nfs/dbraw/zinc/39/22/63/811392263.db2.gz RYKXEUOIWMXIIP-ZSOGYDGISA-N 1 3 260.385 2.167 20 30 CEEDHO C#CCCC1(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N=N1 ZINC001169124653 811392275 /nfs/dbraw/zinc/39/22/75/811392275.db2.gz RYKXEUOIWMXIIP-ZSOGYDGISA-N 1 3 260.385 2.167 20 30 CEEDHO C=CC(=NCOC)N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169141113 811409494 /nfs/dbraw/zinc/40/94/94/811409494.db2.gz IXOUFVJNHOTPQC-DOMZBBRYSA-N 1 3 267.417 2.308 20 30 CEEDHO C=CCC[C@@H](C)N1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113563323 812278609 /nfs/dbraw/zinc/27/86/09/812278609.db2.gz JOVVQIVNHVEQEJ-MRXNPFEDSA-N 1 3 295.471 2.217 20 30 CEEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170742958 813243850 /nfs/dbraw/zinc/24/38/50/813243850.db2.gz OZNOWZFXAYCGKD-HZPDHXFCSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCOC1CCC(NC[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246106883 813699355 /nfs/dbraw/zinc/69/93/55/813699355.db2.gz QLDKCPYMIZCTDG-CIDNJEQPSA-N 1 3 266.429 2.478 20 30 CEEDHO C=CC[NH2+]C1CC(CNC(=O)CN(C)CCCCCC)C1 ZINC001100765235 814182658 /nfs/dbraw/zinc/18/26/58/814182658.db2.gz ZLQWMXFVNBSCEI-UHFFFAOYSA-N 1 3 295.471 2.169 20 30 CEEDHO C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769577 814183475 /nfs/dbraw/zinc/18/34/75/814183475.db2.gz QJXSDEHWTWZCFU-QQFBHYJXSA-N 1 3 295.471 2.167 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171235078 814205741 /nfs/dbraw/zinc/20/57/41/814205741.db2.gz DJICKHLWXRVWFR-HNNXBMFYSA-N 1 3 295.471 2.311 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595221 814299222 /nfs/dbraw/zinc/29/92/22/814299222.db2.gz XQZULDLBSBNQSG-GJZGRUSLSA-N 1 3 283.460 2.166 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146603685 814300240 /nfs/dbraw/zinc/30/02/40/814300240.db2.gz YLMXQXNGWRVBIP-CABCVRRESA-N 1 3 283.460 2.166 20 30 CEEDHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179554253 816880002 /nfs/dbraw/zinc/88/00/02/816880002.db2.gz XJHWLDNFGLBYOP-VGWMRTNUSA-N 1 3 295.471 2.260 20 30 CEEDHO CN(CCCO)C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093413066 344223312 /nfs/dbraw/zinc/22/33/12/344223312.db2.gz ZSFJTWVCKXVTFJ-UHFFFAOYSA-N 1 3 281.444 2.095 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602512991 347062441 /nfs/dbraw/zinc/06/24/41/347062441.db2.gz YUEDWBGMWVJYFN-CABCVRRESA-N 1 3 291.439 2.159 20 30 CEEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602512991 347062444 /nfs/dbraw/zinc/06/24/44/347062444.db2.gz YUEDWBGMWVJYFN-CABCVRRESA-N 1 3 291.439 2.159 20 30 CEEDHO C=CC[C@@H](C)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442861193 344901579 /nfs/dbraw/zinc/90/15/79/344901579.db2.gz DBBVLZNZJTXRRO-CABCVRRESA-N 1 3 267.461 2.203 20 30 CEEDHO COC[C@H](CCC[NH3+])NCc1ccc(C#N)c(Cl)c1 ZINC000591573474 345265251 /nfs/dbraw/zinc/26/52/51/345265251.db2.gz ZCZIEJOGMBQEHR-ZDUSSCGKSA-N 1 3 281.787 2.055 20 30 CEEDHO CN1CC[C@@]2(C1)CCC[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000595508883 345799271 /nfs/dbraw/zinc/79/92/71/345799271.db2.gz ZIDBCYISRAHZJZ-GOSISDBHSA-N 1 3 299.418 2.355 20 30 CEEDHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOc1cccc(C#N)c1)C2 ZINC000595508883 345799273 /nfs/dbraw/zinc/79/92/73/345799273.db2.gz ZIDBCYISRAHZJZ-GOSISDBHSA-N 1 3 299.418 2.355 20 30 CEEDHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595619378 345830105 /nfs/dbraw/zinc/83/01/05/345830105.db2.gz ACFDDRWHIXYSNK-KRWDZBQOSA-N 1 3 292.471 2.028 20 30 CEEDHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595619378 345830108 /nfs/dbraw/zinc/83/01/08/345830108.db2.gz ACFDDRWHIXYSNK-KRWDZBQOSA-N 1 3 292.471 2.028 20 30 CEEDHO N#Cc1ccc(CC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000595894705 345908461 /nfs/dbraw/zinc/90/84/61/345908461.db2.gz VYMJMYMWNKEEFK-UHFFFAOYSA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1ccc(CC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000595894705 345908464 /nfs/dbraw/zinc/90/84/64/345908464.db2.gz VYMJMYMWNKEEFK-UHFFFAOYSA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000596649727 346071676 /nfs/dbraw/zinc/07/16/76/346071676.db2.gz GGRSPHYBYUCHPE-JKSUJKDBSA-N 1 3 257.381 2.350 20 30 CEEDHO N#Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000596653312 346072826 /nfs/dbraw/zinc/07/28/26/346072826.db2.gz ZZRFKDOZFOXNCD-CVEARBPZSA-N 1 3 257.381 2.208 20 30 CEEDHO CC(C#N)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609920065 347655608 /nfs/dbraw/zinc/65/56/08/347655608.db2.gz BKZQWJKDHXNBHS-AWEZNQCLSA-N 1 3 277.412 2.261 20 30 CEEDHO C=CC[C@@H](Cc1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629579839 351420911 /nfs/dbraw/zinc/42/09/11/351420911.db2.gz KBWAXYKREOHFEQ-ZWKOTPCHSA-N 1 3 288.435 2.220 20 30 CEEDHO C=CCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000310675844 540349615 /nfs/dbraw/zinc/34/96/15/540349615.db2.gz PJIYGEAOVJXCHN-RBSFLKMASA-N 1 3 252.402 2.089 20 30 CEEDHO C[NH+]1CCC(N[C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000335184572 364591963 /nfs/dbraw/zinc/59/19/63/364591963.db2.gz FGSKQIYDAMGHRL-INIZCTEOSA-N 1 3 255.365 2.229 20 30 CEEDHO N#Cc1cccc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000335537400 212233345 /nfs/dbraw/zinc/23/33/45/212233345.db2.gz AQPBVGMHABPRQU-UHFFFAOYSA-N 1 3 255.365 2.134 20 30 CEEDHO CCN1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000173364002 367902433 /nfs/dbraw/zinc/90/24/33/367902433.db2.gz CDNWDNHRAKJPEI-CJNGLKHVSA-N 1 3 257.381 2.378 20 30 CEEDHO C[C@H]1CN(CCC(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000347003604 368796935 /nfs/dbraw/zinc/79/69/35/368796935.db2.gz GWRNQQDQGDBKGQ-HNNXBMFYSA-N 1 3 292.471 2.027 20 30 CEEDHO C=CCOCCC[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000348053834 368877327 /nfs/dbraw/zinc/87/73/27/368877327.db2.gz WSXLPFBVJGCZBL-HNNXBMFYSA-N 1 3 254.418 2.243 20 30 CEEDHO C=CCOCCC[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000348053834 368877332 /nfs/dbraw/zinc/87/73/32/368877332.db2.gz WSXLPFBVJGCZBL-HNNXBMFYSA-N 1 3 254.418 2.243 20 30 CEEDHO CN(C)CC(C)(C)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264090228 371966839 /nfs/dbraw/zinc/96/68/39/371966839.db2.gz KQPZERYYTXONMU-UHFFFAOYSA-N 1 3 288.439 2.490 20 30 CEEDHO C=CCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441065117 377933066 /nfs/dbraw/zinc/93/30/66/377933066.db2.gz OILZDTJVYCEAHU-UHFFFAOYSA-N 1 3 279.472 2.443 20 30 CEEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1sc(C)nc1C ZINC000294965885 378033019 /nfs/dbraw/zinc/03/30/19/378033019.db2.gz JPLCSGPFZJFJMI-NSHDSACASA-N 1 3 265.426 2.366 20 30 CEEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1sc(C)nc1C ZINC000294965885 378033021 /nfs/dbraw/zinc/03/30/21/378033021.db2.gz JPLCSGPFZJFJMI-NSHDSACASA-N 1 3 265.426 2.366 20 30 CEEDHO CCCNC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000304800888 379596666 /nfs/dbraw/zinc/59/66/66/379596666.db2.gz OVGVRXUXJKSCKB-OCCSQVGLSA-N 1 3 294.468 2.445 20 30 CEEDHO C=CCC[C@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000305065213 379617428 /nfs/dbraw/zinc/61/74/28/379617428.db2.gz HOZQVSATIRBTMW-CABCVRRESA-N 1 3 254.418 2.120 20 30 CEEDHO C=CCC[C@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000305065213 379617433 /nfs/dbraw/zinc/61/74/33/379617433.db2.gz HOZQVSATIRBTMW-CABCVRRESA-N 1 3 254.418 2.120 20 30 CEEDHO N#Cc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000268964452 394704792 /nfs/dbraw/zinc/70/47/92/394704792.db2.gz KLDDRUZQIVDUCY-ROUUACIJSA-N 1 3 299.418 2.026 20 30 CEEDHO C[C@H](NCCOCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339086196 394941885 /nfs/dbraw/zinc/94/18/85/394941885.db2.gz ZPOKLZJOTUIPIC-GJZGRUSLSA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@H](NCCOCCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339086196 394941887 /nfs/dbraw/zinc/94/18/87/394941887.db2.gz ZPOKLZJOTUIPIC-GJZGRUSLSA-N 1 3 279.428 2.159 20 30 CEEDHO C[C@H]([NH2+]CCOCCC#N)[C@H]1CCCN(C2CCC2)C1 ZINC000339086196 394941889 /nfs/dbraw/zinc/94/18/89/394941889.db2.gz ZPOKLZJOTUIPIC-GJZGRUSLSA-N 1 3 279.428 2.159 20 30 CEEDHO C=CCOCCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339083187 394942177 /nfs/dbraw/zinc/94/21/77/394942177.db2.gz DHMXXLBWRGTQJR-CABCVRRESA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCOCCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000339083187 394942180 /nfs/dbraw/zinc/94/21/80/394942180.db2.gz DHMXXLBWRGTQJR-CABCVRRESA-N 1 3 266.429 2.432 20 30 CEEDHO C=CCOCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000339083187 394942186 /nfs/dbraw/zinc/94/21/86/394942186.db2.gz DHMXXLBWRGTQJR-CABCVRRESA-N 1 3 266.429 2.432 20 30 CEEDHO C[N@@H+]1CC[C@@]2(CCN(CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498952 394946619 /nfs/dbraw/zinc/94/66/19/394946619.db2.gz VHKRATWYXUMZAV-QGZVFWFLSA-N 1 3 291.439 2.115 20 30 CEEDHO C[N@H+]1CC[C@@]2(CCN(CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498952 394946621 /nfs/dbraw/zinc/94/66/21/394946621.db2.gz VHKRATWYXUMZAV-QGZVFWFLSA-N 1 3 291.439 2.115 20 30 CEEDHO C[N@@H+]1CCC[C@@]2(CCN(CCCSCC#N)C2)C1 ZINC000339441657 394961353 /nfs/dbraw/zinc/96/13/53/394961353.db2.gz YSHMUKHSNIGDSJ-CQSZACIVSA-N 1 3 267.442 2.051 20 30 CEEDHO C[N@H+]1CCC[C@@]2(CCN(CCCSCC#N)C2)C1 ZINC000339441657 394961357 /nfs/dbraw/zinc/96/13/57/394961357.db2.gz YSHMUKHSNIGDSJ-CQSZACIVSA-N 1 3 267.442 2.051 20 30 CEEDHO C[NH+](C)CCOc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442709864 395392197 /nfs/dbraw/zinc/39/21/97/395392197.db2.gz OUHHVGTURNWVNB-GDBMZVCRSA-N 1 3 287.407 2.409 20 30 CEEDHO CC[NH2+]CCCNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000565592556 395476939 /nfs/dbraw/zinc/47/69/39/395476939.db2.gz ISICWOGCKVPXLN-UHFFFAOYSA-N 1 3 286.423 2.116 20 30 CEEDHO CCNCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000565592556 395476941 /nfs/dbraw/zinc/47/69/41/395476941.db2.gz ISICWOGCKVPXLN-UHFFFAOYSA-N 1 3 286.423 2.116 20 30 CEEDHO CC(C#N)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000352125904 228185591 /nfs/dbraw/zinc/18/55/91/228185591.db2.gz NSFTTXFGARZCAL-ILXRZTDVSA-N 1 3 299.418 2.419 20 30 CEEDHO C#C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000298085826 260143267 /nfs/dbraw/zinc/14/32/67/260143267.db2.gz MFPANLOFIVAAJB-MRXNPFEDSA-N 1 3 257.381 2.298 20 30 CEEDHO C[C@H](CC[NH+](C)C)NCc1ccc(N(C)CCC#N)cc1 ZINC000068366354 260255767 /nfs/dbraw/zinc/25/57/67/260255767.db2.gz GQXDFECFIJHRPP-OAHLLOKOSA-N 1 3 288.439 2.466 20 30 CEEDHO CC#CCC[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000354175804 266042271 /nfs/dbraw/zinc/04/22/71/266042271.db2.gz BXZBJGURPDPVHP-UHFFFAOYSA-N 1 3 285.435 2.332 20 30 CEEDHO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CNC1 ZINC000566672605 299013512 /nfs/dbraw/zinc/01/35/12/299013512.db2.gz PAYHOLGSCWXVAO-NVPAJSRCSA-N 1 3 299.418 2.446 20 30 CEEDHO C=CCOc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000572363944 330004750 /nfs/dbraw/zinc/00/47/50/330004750.db2.gz MKUMBFKUKALKRG-STQMWFEESA-N 1 3 278.396 2.475 20 30 CEEDHO CN1CC[NH+]=C1NCC1(N2CCCCC2)CCCCC1 ZINC000262634264 330023714 /nfs/dbraw/zinc/02/37/14/330023714.db2.gz GICTZWBWOSECDE-UHFFFAOYSA-N 1 3 278.444 2.066 20 30 CEEDHO C#CCOc1ccc(C[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000113323911 527105246 /nfs/dbraw/zinc/10/52/46/527105246.db2.gz AKFFJVLHJGVEQH-MRXNPFEDSA-N 1 3 272.392 2.130 20 30 CEEDHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000742207431 574841739 /nfs/dbraw/zinc/84/17/39/574841739.db2.gz XYDYIBXLYPQMJL-XJKSGUPXSA-N 1 3 287.407 2.387 20 30 CEEDHO C[C@H](CC(C)(C)C#N)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925559025 628224824 /nfs/dbraw/zinc/22/48/24/628224824.db2.gz VIFPGBQDYDYQOK-VNQPRFMTSA-N 1 3 293.455 2.282 20 30 CEEDHO CC(C)NC(=[NH2+])NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000162455171 628301405 /nfs/dbraw/zinc/30/14/05/628301405.db2.gz SQXWMFYYAVGFLO-QGZVFWFLSA-N 1 3 288.439 2.354 20 30 CEEDHO C=C(C)CN(Cc1ccc(CO)o1)CC1CC[NH+](C)CC1 ZINC000894415034 629446952 /nfs/dbraw/zinc/44/69/52/629446952.db2.gz VEJOTZWREZFFIF-UHFFFAOYSA-N 1 3 292.423 2.492 20 30 CEEDHO Cc1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1C#N ZINC000926960154 632386241 /nfs/dbraw/zinc/38/62/41/632386241.db2.gz FEVMGQUOGZMXBX-SFHVURJKSA-N 1 3 299.418 2.210 20 30 CEEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000817960026 633802709 /nfs/dbraw/zinc/80/27/09/633802709.db2.gz WOVQRCSOCSSVEV-CJNGLKHVSA-N 1 3 260.381 2.333 20 30 CEEDHO CC[NH+]1CCC(CN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902789103 634833459 /nfs/dbraw/zinc/83/34/59/634833459.db2.gz BUYVFCFQTULPNZ-ZDUSSCGKSA-N 1 3 272.396 2.336 20 30 CEEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2CC)C1 ZINC000999876226 642517959 /nfs/dbraw/zinc/51/79/59/642517959.db2.gz INNVEINRXYHUHX-UYSNPLJNSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001000375293 642596474 /nfs/dbraw/zinc/59/64/74/642596474.db2.gz CCLLGJZYJRNOKW-HOTGVXAUSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[C@H](C)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000878020809 650975780 /nfs/dbraw/zinc/97/57/80/650975780.db2.gz QMSYOKBFMABAHV-ULQDDVLXSA-N 1 3 279.472 2.441 20 30 CEEDHO C=CC[C@@H](C)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000878611274 651141722 /nfs/dbraw/zinc/14/17/22/651141722.db2.gz PQLZNGOLXYNPQU-OAHLLOKOSA-N 1 3 284.444 2.010 20 30 CEEDHO C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001267318060 803362060 /nfs/dbraw/zinc/36/20/60/803362060.db2.gz RCOZAZGWSHOQBU-INIZCTEOSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001267318060 803362067 /nfs/dbraw/zinc/36/20/67/803362067.db2.gz RCOZAZGWSHOQBU-INIZCTEOSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001270260791 805385223 /nfs/dbraw/zinc/38/52/23/805385223.db2.gz HQIPAJWWNAYWIA-OAHLLOKOSA-N 1 3 295.471 2.264 20 30 CEEDHO C=C(C)C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001270458514 805442744 /nfs/dbraw/zinc/44/27/44/805442744.db2.gz QHEBIAVLHPJLMM-INIZCTEOSA-N 1 3 295.471 2.167 20 30 CEEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171509255 815189786 /nfs/dbraw/zinc/18/97/86/815189786.db2.gz NUJNHBKCZAIGJH-LSDHHAIUSA-N 1 3 283.460 2.167 20 30 CEEDHO C=C(C)C(=O)NCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171621064 815204856 /nfs/dbraw/zinc/20/48/56/815204856.db2.gz HZTIPIKJEBJOCB-UHFFFAOYSA-N 1 3 295.471 2.310 20 30 CEEDHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001272785401 808664004 /nfs/dbraw/zinc/66/40/04/808664004.db2.gz AQVUEHQFDVZTTQ-WKILWMFISA-N 1 3 295.471 2.167 20 30 CEEDHO C[C@H](Cc1ccc(C#N)cc1)N1CCC(C)([NH3+])CC1 ZINC001172297372 815387491 /nfs/dbraw/zinc/38/74/91/815387491.db2.gz OTHLGNDFOIIUCD-CYBMUJFWSA-N 1 3 257.381 2.302 20 30 CEEDHO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369847 813262131 /nfs/dbraw/zinc/26/21/31/813262131.db2.gz SSWHJSGHYYOJEU-GJZGRUSLSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584533 813293093 /nfs/dbraw/zinc/29/30/93/813293093.db2.gz UYCLXBPLPDGMJA-LSDHHAIUSA-N 1 3 295.471 2.310 20 30 CEEDHO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135747876 813517330 /nfs/dbraw/zinc/51/73/30/813517330.db2.gz WFIXYAKTTBRMNF-CABCVRRESA-N 1 3 283.460 2.167 20 30 CEEDHO CCCCCCC[C@H](C)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644780 814242024 /nfs/dbraw/zinc/24/20/24/814242024.db2.gz JBXHAECTNQCQES-XHSDSOJGSA-N 1 3 268.445 2.249 20 30 CEEDHO N#Cc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000592470972 345358613 /nfs/dbraw/zinc/35/86/13/345358613.db2.gz PXTAJIAXPDLWDW-VHDGCEQUSA-N 1 3 273.355 2.175 20 30 CEEDHO N#CC1(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000594740526 345683832 /nfs/dbraw/zinc/68/38/32/345683832.db2.gz YQKPAOZWULPXFM-RRFJBIMHSA-N 1 3 261.413 2.438 20 30 CEEDHO N#Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000596653313 346072961 /nfs/dbraw/zinc/07/29/61/346072961.db2.gz ZZRFKDOZFOXNCD-HOTGVXAUSA-N 1 3 257.381 2.208 20 30 CEEDHO C[N@H+](CCCNC[C@@H](O)CC1(C#N)CC1)C1CCCCC1 ZINC000600719307 346677951 /nfs/dbraw/zinc/67/79/51/346677951.db2.gz UXUCLLLFJWDANZ-INIZCTEOSA-N 1 3 293.455 2.285 20 30 CEEDHO C[N@@H+](CCCNC[C@@H](O)CC1(C#N)CC1)C1CCCCC1 ZINC000600719307 346677953 /nfs/dbraw/zinc/67/79/53/346677953.db2.gz UXUCLLLFJWDANZ-INIZCTEOSA-N 1 3 293.455 2.285 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000600767258 346686475 /nfs/dbraw/zinc/68/64/75/346686475.db2.gz AHMYMAUVCKVLEV-KBPBESRZSA-N 1 3 273.380 2.363 20 30 CEEDHO C[C@H]1CC2(CN1Cc1ccc(C#N)o1)CC[NH2+]CC2 ZINC000600769002 346686641 /nfs/dbraw/zinc/68/66/41/346686641.db2.gz IUUOPGLUDKZAIY-LBPRGKRZSA-N 1 3 259.353 2.115 20 30 CEEDHO C[NH+]1CCC2(CCN(Cc3ccccc3C#N)C2)CC1 ZINC000602878944 347236071 /nfs/dbraw/zinc/23/60/71/347236071.db2.gz VRKKMGNSXWWZAU-UHFFFAOYSA-N 1 3 269.392 2.476 20 30 CEEDHO C[NH+](C)CCOc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000619531818 349194660 /nfs/dbraw/zinc/19/46/60/349194660.db2.gz BMNDBTIATJBZIK-UHFFFAOYSA-N 1 3 287.407 2.410 20 30 CEEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC1([NH3+])CCC1)C(C)C ZINC000236655625 539817276 /nfs/dbraw/zinc/81/72/76/539817276.db2.gz SMEFSRASWWFVIL-HNNXBMFYSA-N 1 3 293.455 2.073 20 30 CEEDHO C[NH+]1CCC(CCNCc2ccc(C#N)s2)CC1 ZINC000135690483 366468411 /nfs/dbraw/zinc/46/84/11/366468411.db2.gz NZZNAAPRFSDFBU-UHFFFAOYSA-N 1 3 263.410 2.441 20 30 CEEDHO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000186691492 369020922 /nfs/dbraw/zinc/02/09/22/369020922.db2.gz NINRYZGESYTWEH-ZBFHGGJFSA-N 1 3 292.423 2.215 20 30 CEEDHO C=CCC[C@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000351412170 369635178 /nfs/dbraw/zinc/63/51/78/369635178.db2.gz LPOCJMUKIDBRFS-ILXRZTDVSA-N 1 3 254.418 2.118 20 30 CEEDHO C=CCC[C@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000351412170 369635181 /nfs/dbraw/zinc/63/51/81/369635181.db2.gz LPOCJMUKIDBRFS-ILXRZTDVSA-N 1 3 254.418 2.118 20 30 CEEDHO CN(C)Cc1cccc(CNC(=[NH2+])NC2CCCC2)c1 ZINC000264108323 371969919 /nfs/dbraw/zinc/96/99/19/371969919.db2.gz PYKCDTHJIBUCBJ-UHFFFAOYSA-N 1 3 274.412 2.095 20 30 CEEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379720528 375155583 /nfs/dbraw/zinc/15/55/83/375155583.db2.gz ZATSMANWZBLEDG-IJEWVQPXSA-N 1 3 285.391 2.315 20 30 CEEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379720528 375155588 /nfs/dbraw/zinc/15/55/88/375155588.db2.gz ZATSMANWZBLEDG-IJEWVQPXSA-N 1 3 285.391 2.315 20 30 CEEDHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(C#N)o3)C2)CC1 ZINC000290324809 376734591 /nfs/dbraw/zinc/73/45/91/376734591.db2.gz DIKIMEYLIAVHHP-AWEZNQCLSA-N 1 3 273.380 2.315 20 30 CEEDHO Cn1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000290373895 376752818 /nfs/dbraw/zinc/75/28/18/376752818.db2.gz HQYFXNHBIOKZRW-INIZCTEOSA-N 1 3 286.423 2.060 20 30 CEEDHO N#Cc1cccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000565043538 377541650 /nfs/dbraw/zinc/54/16/50/377541650.db2.gz FZESGNVRJZJIMQ-ROUUACIJSA-N 1 3 299.418 2.277 20 30 CEEDHO C=CCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441270109 377934335 /nfs/dbraw/zinc/93/43/35/377934335.db2.gz NTKQJVTYIAHXNG-RBSFLKMASA-N 1 3 252.402 2.136 20 30 CEEDHO CC#CCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000155368218 395027631 /nfs/dbraw/zinc/02/76/31/395027631.db2.gz UKIHYUKLPCBXAP-HOTGVXAUSA-N 1 3 278.440 2.221 20 30 CEEDHO C=CCN1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CC1 ZINC000367619899 394966698 /nfs/dbraw/zinc/96/66/98/394966698.db2.gz PSJFEKVBTDHPKL-GVDBMIGSSA-N 1 3 277.456 2.099 20 30 CEEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(C)(C)CCC#N ZINC000374253227 395077794 /nfs/dbraw/zinc/07/77/94/395077794.db2.gz GIVBZVFQMXNPSI-OWCLPIDISA-N 1 3 293.455 2.500 20 30 CEEDHO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1 ZINC000651675302 401369703 /nfs/dbraw/zinc/36/97/03/401369703.db2.gz PALJDHYJZLWTPR-RDJZCZTQSA-N 1 3 279.472 2.347 20 30 CEEDHO C=CC[C@H]1CC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000651794291 401393199 /nfs/dbraw/zinc/39/31/99/401393199.db2.gz PZDUBDUDFZYTCD-HOTGVXAUSA-N 1 3 279.472 2.347 20 30 CEEDHO CN1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000367598303 156215545 /nfs/dbraw/zinc/21/55/45/156215545.db2.gz DPENOAXGEZZTSN-FGTMMUONSA-N 1 3 299.418 2.399 20 30 CEEDHO C[N@@H+]1CC[C@H](NCCOc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000367598303 156215546 /nfs/dbraw/zinc/21/55/46/156215546.db2.gz DPENOAXGEZZTSN-FGTMMUONSA-N 1 3 299.418 2.399 20 30 CEEDHO C[N@H+]1CC[C@H](NCCOc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000367598303 156215548 /nfs/dbraw/zinc/21/55/48/156215548.db2.gz DPENOAXGEZZTSN-FGTMMUONSA-N 1 3 299.418 2.399 20 30 CEEDHO C=CC[C@@]1(C(=O)Nc2cc(C)cc(CN)c2)CCC[NH2+]1 ZINC000662818894 414758301 /nfs/dbraw/zinc/75/83/01/414758301.db2.gz FETFXWMBKNKPOP-INIZCTEOSA-N 1 3 273.380 2.091 20 30 CEEDHO N#CCCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280648780 263063536 /nfs/dbraw/zinc/06/35/36/263063536.db2.gz ZXKGVZILORMQSK-CALCHBBNSA-N 1 3 269.392 2.354 20 30 CEEDHO N#CCCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280648780 263063537 /nfs/dbraw/zinc/06/35/37/263063537.db2.gz ZXKGVZILORMQSK-CALCHBBNSA-N 1 3 269.392 2.354 20 30 CEEDHO C[C@H]1CCCN(CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288807552 263106146 /nfs/dbraw/zinc/10/61/46/263106146.db2.gz ZZSZCPXFZIMKOO-NSHDSACASA-N 1 3 296.365 2.423 20 30 CEEDHO C[N@@H+]1CCC[C@H](CCNCc2cc(C#N)cs2)C1 ZINC000459729331 267338178 /nfs/dbraw/zinc/33/81/78/267338178.db2.gz JBCSHRWRAWOWGV-GFCCVEGCSA-N 1 3 263.410 2.441 20 30 CEEDHO C[N@H+]1CCC[C@H](CCNCc2cc(C#N)cs2)C1 ZINC000459729331 267338179 /nfs/dbraw/zinc/33/81/79/267338179.db2.gz JBCSHRWRAWOWGV-GFCCVEGCSA-N 1 3 263.410 2.441 20 30 CEEDHO CC[C@@H](C)N(C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288753615 328253518 /nfs/dbraw/zinc/25/35/18/328253518.db2.gz RDEBJIXKDXHFND-SNVBAGLBSA-N 1 3 284.354 2.422 20 30 CEEDHO C=C(C)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171305006 329073646 /nfs/dbraw/zinc/07/36/46/329073646.db2.gz XMTJTSLSJACSBM-HUUCEWRRSA-N 1 3 266.429 2.384 20 30 CEEDHO C=CCOc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000572363943 330004714 /nfs/dbraw/zinc/00/47/14/330004714.db2.gz MKUMBFKUKALKRG-QWHCGFSZSA-N 1 3 278.396 2.475 20 30 CEEDHO CN1CCC[C@H](CNC(=[NH2+])NC2CC2)[C@H]1c1cccs1 ZINC000262672572 330025977 /nfs/dbraw/zinc/02/59/77/330025977.db2.gz PZELAYAVIWXHBH-RISCZKNCSA-N 1 3 292.452 2.198 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422972649 330164722 /nfs/dbraw/zinc/16/47/22/330164722.db2.gz ACOWISKDQGRJCP-GDBMZVCRSA-N 1 3 265.445 2.134 20 30 CEEDHO C=CCC[C@H]([NH2+]CCCCN1CCN(C)CC1)C1CC1 ZINC000120145738 330385801 /nfs/dbraw/zinc/38/58/01/330385801.db2.gz GVLGBVIKCDTQKG-KRWDZBQOSA-N 1 3 279.472 2.348 20 30 CEEDHO CC(C#N)C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488883524 332031857 /nfs/dbraw/zinc/03/18/57/332031857.db2.gz WQEIMAIMAULSLK-CQSZACIVSA-N 1 3 277.412 2.403 20 30 CEEDHO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCCN1CCCC ZINC000104181582 628711713 /nfs/dbraw/zinc/71/17/13/628711713.db2.gz QNPRNZHBIQHCPZ-AWEZNQCLSA-N 1 3 266.433 2.121 20 30 CEEDHO C#CC[C@@H](COC)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000895671968 630300694 /nfs/dbraw/zinc/30/06/94/630300694.db2.gz NJIRYVMNJLQKBY-INIZCTEOSA-N 1 3 266.429 2.125 20 30 CEEDHO C=CC[N@@H+](CCCN1CCN(C(C)C)CC1)C(C)C ZINC000800334471 631112639 /nfs/dbraw/zinc/11/26/39/631112639.db2.gz DPURCOCSBRPBSH-UHFFFAOYSA-N 1 3 267.461 2.299 20 30 CEEDHO C=CC[N@H+](CCCN1CCN(C(C)C)CC1)C(C)C ZINC000800334471 631112644 /nfs/dbraw/zinc/11/26/44/631112644.db2.gz DPURCOCSBRPBSH-UHFFFAOYSA-N 1 3 267.461 2.299 20 30 CEEDHO C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313432 635561430 /nfs/dbraw/zinc/56/14/30/635561430.db2.gz GDNVWJFKEVQAKR-OKILXGFUSA-N 1 3 275.352 2.320 20 30 CEEDHO C=CCOc1ccc(C[NH2+]CC2(N)CC2)cc1Cl ZINC000904450228 635642322 /nfs/dbraw/zinc/64/23/22/635642322.db2.gz PGMQMFWOTSWVNV-UHFFFAOYSA-N 1 3 266.772 2.486 20 30 CEEDHO C#CC[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000829810358 636936173 /nfs/dbraw/zinc/93/61/73/636936173.db2.gz OQYVWBUHJMCPFN-GOSISDBHSA-N 1 3 291.483 2.138 20 30 CEEDHO C#CC[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000829810358 636936177 /nfs/dbraw/zinc/93/61/77/636936177.db2.gz OQYVWBUHJMCPFN-GOSISDBHSA-N 1 3 291.483 2.138 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000911672221 638345129 /nfs/dbraw/zinc/34/51/29/638345129.db2.gz ISUBBGNUUYKMGI-HNNXBMFYSA-N 1 3 283.460 2.180 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911737623 638386666 /nfs/dbraw/zinc/38/66/66/638386666.db2.gz XEFDGALQZJQPIB-GJZGRUSLSA-N 1 3 283.460 2.275 20 30 CEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911848771 638443898 /nfs/dbraw/zinc/44/38/98/638443898.db2.gz WXTNHNKLCBJOEY-BXUZGUMPSA-N 1 3 261.369 2.328 20 30 CEEDHO c1nncn1N=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841605542 639792658 /nfs/dbraw/zinc/79/26/58/639792658.db2.gz XGLPLNGMNKXUHQ-INIZCTEOSA-N 1 3 281.363 2.482 20 30 CEEDHO c1nncn1N=C1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841605542 639792666 /nfs/dbraw/zinc/79/26/66/639792666.db2.gz XGLPLNGMNKXUHQ-INIZCTEOSA-N 1 3 281.363 2.482 20 30 CEEDHO CON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000915958077 640708054 /nfs/dbraw/zinc/70/80/54/640708054.db2.gz LIYGLKYTSTUFDG-UHFFFAOYSA-N 1 3 261.369 2.197 20 30 CEEDHO C[C@H]1CN(CCCCC#N)CCN1c1cc[nH+]cc1 ZINC000880260123 651412269 /nfs/dbraw/zinc/41/22/69/651412269.db2.gz BBVQMILEFMKOJD-AWEZNQCLSA-N 1 3 258.369 2.286 20 30 CEEDHO C#CCCC1(CC[NH2+]C2CCN(CC3CC3)CC2)N=N1 ZINC001168372687 806968709 /nfs/dbraw/zinc/96/87/09/806968709.db2.gz ZYUQJFHUSVEEEY-UHFFFAOYSA-N 1 3 274.412 2.416 20 30 CEEDHO C#CCCC1(CCNC2CC[NH+](CC3CC3)CC2)N=N1 ZINC001168372687 806968712 /nfs/dbraw/zinc/96/87/12/806968712.db2.gz ZYUQJFHUSVEEEY-UHFFFAOYSA-N 1 3 274.412 2.416 20 30 CEEDHO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879041 804314546 /nfs/dbraw/zinc/31/45/46/804314546.db2.gz LYHPPOVXBKFGMW-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027879041 804314554 /nfs/dbraw/zinc/31/45/54/804314554.db2.gz LYHPPOVXBKFGMW-HZPDHXFCSA-N 1 3 293.455 2.016 20 30 CEEDHO C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001268158509 804494389 /nfs/dbraw/zinc/49/43/89/804494389.db2.gz FTXZDRRSLVZVQU-JKSUJKDBSA-N 1 3 293.455 2.018 20 30 CEEDHO SC1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387872 807046522 /nfs/dbraw/zinc/04/65/22/807046522.db2.gz WSPDTMADVYBSHY-UHFFFAOYSA-N 1 3 254.443 2.255 20 30 CEEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203456270 808510779 /nfs/dbraw/zinc/51/07/79/808510779.db2.gz UICBQMSIVCYILV-HNNXBMFYSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001034659164 809654771 /nfs/dbraw/zinc/65/47/71/809654771.db2.gz NUARGSJVIREORO-BZUAXINKSA-N 1 3 293.455 2.064 20 30 CEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015795932 810357167 /nfs/dbraw/zinc/35/71/67/810357167.db2.gz UBMYCLXTKFHLEQ-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001015795932 810357173 /nfs/dbraw/zinc/35/71/73/810357173.db2.gz UBMYCLXTKFHLEQ-CVEARBPZSA-N 1 3 293.455 2.018 20 30 CEEDHO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773735 813322905 /nfs/dbraw/zinc/32/29/05/813322905.db2.gz RCPWYJDOZPDLSK-KBPBESRZSA-N 1 3 283.460 2.166 20 30 CEEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCCNC1 ZINC001246090871 813679713 /nfs/dbraw/zinc/67/97/13/813679713.db2.gz MFVSUGROYRXBNH-XJKSGUPXSA-N 1 3 257.381 2.221 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171247518 814223579 /nfs/dbraw/zinc/22/35/79/814223579.db2.gz LLWUWZUYZINGRP-GDBMZVCRSA-N 1 3 295.471 2.167 20 30 CEEDHO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146603687 814299741 /nfs/dbraw/zinc/29/97/41/814299741.db2.gz YLMXQXNGWRVBIP-HUUCEWRRSA-N 1 3 283.460 2.166 20 30 CEEDHO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CN(CC)CC)CC1 ZINC001203010907 816207809 /nfs/dbraw/zinc/20/78/09/816207809.db2.gz ZSBIZHCDYKZGNM-HNNXBMFYSA-N 1 3 295.471 2.264 20 30 CEEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350644 816399273 /nfs/dbraw/zinc/39/92/73/816399273.db2.gz JJMQMXLOCCKPSJ-CYBMUJFWSA-N 1 3 292.427 2.101 20 30 CEEDHO CCN1C[C@@H]2C[N@@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142931588 816758707 /nfs/dbraw/zinc/75/87/07/816758707.db2.gz RZGWBENMUUXKSR-IYBDPMFKSA-N 1 3 294.402 2.423 20 30 CEEDHO CCN1C[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142931588 816758711 /nfs/dbraw/zinc/75/87/11/816758711.db2.gz RZGWBENMUUXKSR-IYBDPMFKSA-N 1 3 294.402 2.423 20 30 CEEDHO N#Cc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594956620 345715761 /nfs/dbraw/zinc/71/57/61/345715761.db2.gz XGCZGDXJTUSLIL-SJORKVTESA-N 1 3 269.392 2.317 20 30 CEEDHO N#Cc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594956620 345715762 /nfs/dbraw/zinc/71/57/62/345715762.db2.gz XGCZGDXJTUSLIL-SJORKVTESA-N 1 3 269.392 2.317 20 30 CEEDHO CC(C)(C#N)CCCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000595864285 345901202 /nfs/dbraw/zinc/90/12/02/345901202.db2.gz RWTPHDRSRAYZJO-INIZCTEOSA-N 1 3 293.455 2.237 20 30 CEEDHO N#Cc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000600769027 346686606 /nfs/dbraw/zinc/68/66/06/346686606.db2.gz JMMNAMWDOGOAMV-AWEZNQCLSA-N 1 3 273.380 2.363 20 30 CEEDHO N#Cc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000130353382 365947361 /nfs/dbraw/zinc/94/73/61/365947361.db2.gz RJKLFICBDQCADD-QGZVFWFLSA-N 1 3 299.418 2.149 20 30 CEEDHO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000335498934 364792578 /nfs/dbraw/zinc/79/25/78/364792578.db2.gz ZFCJPFGQYLPXOV-AQFXKWCLSA-N 1 3 269.392 2.342 20 30 CEEDHO C[C@H]1CCC[C@](CNC(=[NH2+])Nc2ccccn2)(N(C)C)C1 ZINC000170909617 367444842 /nfs/dbraw/zinc/44/48/42/367444842.db2.gz PMOSEMQESZZSQY-BBRMVZONSA-N 1 3 289.427 2.319 20 30 CEEDHO C=CCC[C@@H]([NH2+]CCCN1CCCN(C)CC1)C1CC1 ZINC000245912949 370887618 /nfs/dbraw/zinc/88/76/18/370887618.db2.gz DWLZERABYKJACP-QGZVFWFLSA-N 1 3 279.472 2.348 20 30 CEEDHO C=C(C)C[NH+]1CCC(NCc2cnccc2N(C)C)CC1 ZINC000185190055 368764113 /nfs/dbraw/zinc/76/41/13/368764113.db2.gz KRQJVKNOHYTWDR-UHFFFAOYSA-N 1 3 288.439 2.278 20 30 CEEDHO C=C(C)CN1CCC([NH2+]Cc2cnccc2N(C)C)CC1 ZINC000185190055 368764117 /nfs/dbraw/zinc/76/41/17/368764117.db2.gz KRQJVKNOHYTWDR-UHFFFAOYSA-N 1 3 288.439 2.278 20 30 CEEDHO C[NH+](C)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000350144961 369515491 /nfs/dbraw/zinc/51/54/91/369515491.db2.gz GERRLKVQDMNYMG-UHFFFAOYSA-N 1 3 263.410 2.393 20 30 CEEDHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1C#N ZINC000235006964 370553970 /nfs/dbraw/zinc/55/39/70/370553970.db2.gz UDOITQWEXWPZOP-AWEZNQCLSA-N 1 3 285.391 2.141 20 30 CEEDHO C[NH+]=C(NCc1ccco1)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000264045828 371957428 /nfs/dbraw/zinc/95/74/28/371957428.db2.gz KQOPZOAXKSDOLN-KGLIPLIRSA-N 1 3 292.427 2.065 20 30 CEEDHO C=CC[C@@H]1CC[C@@H](N[C@@H](CO)CC[NH+](CC)CC)C1 ZINC000641770692 372713448 /nfs/dbraw/zinc/71/34/48/372713448.db2.gz ZUOHIHHIEZSJNS-BZUAXINKSA-N 1 3 268.445 2.414 20 30 CEEDHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399020102 375354481 /nfs/dbraw/zinc/35/44/81/375354481.db2.gz DSDPURPWPGVSAR-CJNGLKHVSA-N 1 3 257.381 2.182 20 30 CEEDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399020102 375354486 /nfs/dbraw/zinc/35/44/86/375354486.db2.gz DSDPURPWPGVSAR-CJNGLKHVSA-N 1 3 257.381 2.182 20 30 CEEDHO N#Cc1cccc(CC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000423105554 376998344 /nfs/dbraw/zinc/99/83/44/376998344.db2.gz QSSXNZONJHGZDV-HOTGVXAUSA-N 1 3 257.381 2.208 20 30 CEEDHO C#C[C@@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289081217 395070440 /nfs/dbraw/zinc/07/04/40/395070440.db2.gz AXWIULYJSFKMTF-OAHLLOKOSA-N 1 3 285.435 2.328 20 30 CEEDHO C=CC[C@@]1(C(=O)Nc2cccc(CNC)c2)CCC[NH2+]1 ZINC000662399495 415822913 /nfs/dbraw/zinc/82/29/13/415822913.db2.gz OXAHNYVHPKVLQZ-INIZCTEOSA-N 1 3 273.380 2.043 20 30 CEEDHO CC(C#N)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000357790048 266363485 /nfs/dbraw/zinc/36/34/85/266363485.db2.gz KMNJFJVQVOZZOD-UPJWGTAASA-N 1 3 265.401 2.019 20 30 CEEDHO CCc1cccc(NC(=[NH2+])NCC2=CCN(C)CC2)c1 ZINC000271840294 328197819 /nfs/dbraw/zinc/19/78/19/328197819.db2.gz SUPISTJXQRHTER-UHFFFAOYSA-N 1 3 272.396 2.238 20 30 CEEDHO C=C(C)C[NH+]1CCC(N2CCN(CCC)CC2)CC1 ZINC000369155874 328943690 /nfs/dbraw/zinc/94/36/90/328943690.db2.gz MYBCOCRUTQXVAD-UHFFFAOYSA-N 1 3 265.445 2.055 20 30 CEEDHO C=CCC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CC1 ZINC000378255289 329044199 /nfs/dbraw/zinc/04/41/99/329044199.db2.gz WCLJDMQPZIZRFT-SJLPKXTDSA-N 1 3 291.483 2.489 20 30 CEEDHO CC[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)NC1CC1 ZINC000263111271 330044196 /nfs/dbraw/zinc/04/41/96/330044196.db2.gz DRPJMBOHWBUSAM-ZDUSSCGKSA-N 1 3 280.460 2.214 20 30 CEEDHO C=C(C)CN1CCC([NH2+][C@@H](C)[C@H]2CCCCN2)CC1 ZINC000422981372 330162636 /nfs/dbraw/zinc/16/26/36/330162636.db2.gz SLMWZEFNJIXNFP-GOEBONIOSA-N 1 3 265.445 2.147 20 30 CEEDHO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423019053 330165791 /nfs/dbraw/zinc/16/57/91/330165791.db2.gz TUYAYQFESMVRDA-CAOSSQGBSA-N 1 3 266.429 2.071 20 30 CEEDHO C=CC[C@H](CO)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423019053 330165792 /nfs/dbraw/zinc/16/57/92/330165792.db2.gz TUYAYQFESMVRDA-CAOSSQGBSA-N 1 3 266.429 2.071 20 30 CEEDHO C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423095700 330169805 /nfs/dbraw/zinc/16/98/05/330169805.db2.gz MZVZKZRFTBQEEB-YJNKXOJESA-N 1 3 252.402 2.088 20 30 CEEDHO N#C[C@@H]1CC[C@@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000429699392 330552616 /nfs/dbraw/zinc/55/26/16/330552616.db2.gz PYRJAQRSSHYPGJ-HZPDHXFCSA-N 1 3 291.439 2.255 20 30 CEEDHO CCNC(NC[C@@H]1CCN(Cc2ccccc2)C1)=[NH+]CC ZINC000195164995 331139195 /nfs/dbraw/zinc/13/91/95/331139195.db2.gz WSTWXJQUGCTGDP-INIZCTEOSA-N 1 3 288.439 2.084 20 30 CEEDHO C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000963158451 613347199 /nfs/dbraw/zinc/34/71/99/613347199.db2.gz YNAMDRWXKXOQAK-GPANFISMSA-N 1 3 293.455 2.016 20 30 CEEDHO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981269556 613860306 /nfs/dbraw/zinc/86/03/06/613860306.db2.gz BMAHOFAZXQCONB-HUUCEWRRSA-N 1 3 293.455 2.064 20 30 CEEDHO COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1C#N ZINC000817914898 633775234 /nfs/dbraw/zinc/77/52/34/633775234.db2.gz BPZIOXRMFNXQQA-LSDHHAIUSA-N 1 3 273.380 2.316 20 30 CEEDHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(OCC#N)cc1 ZINC000817964380 633807053 /nfs/dbraw/zinc/80/70/53/633807053.db2.gz AFDUKEFBGUSCLJ-LBPRGKRZSA-N 1 3 259.353 2.121 20 30 CEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000911619549 638336523 /nfs/dbraw/zinc/33/65/23/638336523.db2.gz LKYDPUAPHSCORZ-AWEZNQCLSA-N 1 3 269.433 2.014 20 30 CEEDHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(c2ccccc2C#N)CC1 ZINC000873239411 649605284 /nfs/dbraw/zinc/60/52/84/649605284.db2.gz VOQIOAZSHMQSNM-PBHICJAKSA-N 1 3 298.434 2.115 20 30 CEEDHO