smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CNC(=O)[C@@H](CN)c1ccccc1)[NH+]1CCCC1 ZINC000160938705 342073063 /nfs/dbraw/zinc/07/30/63/342073063.db2.gz SNKCUIXMVRSCEF-HIFRSBDPSA-N 1 3 275.396 1.329 20 70 CDIDHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000160686975 346194431 /nfs/dbraw/zinc/19/44/31/346194431.db2.gz SWJVJMVPSFBPGH-GJZGRUSLSA-N 1 3 294.443 1.206 20 70 CDIDHO C[NH+](C)C[C@@H]1CCN(C[C@H](O)CCc2ccccc2)C1 ZINC000159525057 364226781 /nfs/dbraw/zinc/22/67/81/364226781.db2.gz PDWUYYWJRGKTNT-DLBZAZTESA-N 1 3 276.424 1.864 20 70 CDIDHO CC(C)[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)N(C)C ZINC000159628566 361758045 /nfs/dbraw/zinc/75/80/45/361758045.db2.gz NBDAAIAIWYTWKL-CQSZACIVSA-N 1 3 271.449 1.808 20 70 CDIDHO CN(C)C[C@@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000160985246 282127665 /nfs/dbraw/zinc/12/76/65/282127665.db2.gz JCQHGZVLBXARHQ-OAHLLOKOSA-N 1 3 269.433 1.125 20 70 CDIDHO CC[C@H](Cc1ccc(OC)c(OC)c1)NCC[NH3+] ZINC000218288239 342439610 /nfs/dbraw/zinc/43/96/10/342439610.db2.gz GTGCWBDRTBWCMU-GFCCVEGCSA-N 1 3 252.358 1.573 20 70 CDIDHO CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)N(C)C ZINC000159571400 362452146 /nfs/dbraw/zinc/45/21/46/362452146.db2.gz OXXGCYOTPCTOQZ-CABCVRRESA-N 1 3 283.460 1.953 20 70 CDIDHO CC(C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)N(C)C ZINC000159571400 362452147 /nfs/dbraw/zinc/45/21/47/362452147.db2.gz OXXGCYOTPCTOQZ-CABCVRRESA-N 1 3 283.460 1.953 20 70 CDIDHO C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161053705 342353641 /nfs/dbraw/zinc/35/36/41/342353641.db2.gz OCZYPTBXGRZLGB-KGLIPLIRSA-N 1 3 267.417 1.367 20 70 CDIDHO Cc1nn(C)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000161186770 366015576 /nfs/dbraw/zinc/01/55/76/366015576.db2.gz VTAVTLGXFNUJSK-OKILXGFUSA-N 1 3 294.443 1.708 20 70 CDIDHO CC[C@@](C)(O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000161265104 523663447 /nfs/dbraw/zinc/66/34/47/523663447.db2.gz KCXCCCARCCCVJH-HUUCEWRRSA-N 1 3 254.418 1.955 20 70 CDIDHO CC[C@@](C)(O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000161265104 523663455 /nfs/dbraw/zinc/66/34/55/523663455.db2.gz KCXCCCARCCCVJH-HUUCEWRRSA-N 1 3 254.418 1.955 20 70 CDIDHO CC[C@@](C)(O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000161265104 523663463 /nfs/dbraw/zinc/66/34/63/523663463.db2.gz KCXCCCARCCCVJH-HUUCEWRRSA-N 1 3 254.418 1.955 20 70 CDIDHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000159452955 362324413 /nfs/dbraw/zinc/32/44/13/362324413.db2.gz XDFSVYLCGVJOJZ-HUUCEWRRSA-N 1 3 298.475 1.841 20 70 CDIDHO CC(C)[C@@H](C(=O)NCC1([NH3+])CCCCC1)N(C)C ZINC000159543941 528359062 /nfs/dbraw/zinc/35/90/62/528359062.db2.gz AFGVYELXVGHJRK-LBPRGKRZSA-N 1 3 255.406 1.350 20 70 CDIDHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000160159771 362041207 /nfs/dbraw/zinc/04/12/07/362041207.db2.gz XTSAVWRLANCVRA-MRXNPFEDSA-N 1 3 293.459 1.487 20 70 CDIDHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC000161090555 279334655 /nfs/dbraw/zinc/33/46/55/279334655.db2.gz XYDYKODGINUVCN-STQMWFEESA-N 1 3 255.406 1.173 20 70 CDIDHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC000161090555 279334658 /nfs/dbraw/zinc/33/46/58/279334658.db2.gz XYDYKODGINUVCN-STQMWFEESA-N 1 3 255.406 1.173 20 70 CDIDHO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000217953818 140165202 /nfs/dbraw/zinc/16/52/02/140165202.db2.gz NATBUFQOPXXKJB-HZPDHXFCSA-N 1 3 287.407 1.519 20 70 CDIDHO CC[C@H](C)N(C)CC[NH2+]Cc1cnc(N(C)C)n1C ZINC000217744930 391759089 /nfs/dbraw/zinc/75/90/89/391759089.db2.gz QBRFEOVHIGMQPH-LBPRGKRZSA-N 1 3 267.421 1.306 20 70 CDIDHO NC1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCCCC1 ZINC000217806382 295204264 /nfs/dbraw/zinc/20/42/64/295204264.db2.gz ZZFVXBVDXLWGME-OLZOCXBDSA-N 1 3 265.401 1.391 20 70 CDIDHO NC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000217806382 295204267 /nfs/dbraw/zinc/20/42/67/295204267.db2.gz ZZFVXBVDXLWGME-OLZOCXBDSA-N 1 3 265.401 1.391 20 70 CDIDHO CCCN1CC[C@@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161348710 519862440 /nfs/dbraw/zinc/86/24/40/519862440.db2.gz WJXMLFIFKUMRHM-FHERZECASA-N 1 3 281.444 1.755 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000159846701 361878474 /nfs/dbraw/zinc/87/84/74/361878474.db2.gz YLMGKYNGHKAZKR-HNNXBMFYSA-N 1 3 296.459 1.598 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000159846701 361878482 /nfs/dbraw/zinc/87/84/82/361878482.db2.gz YLMGKYNGHKAZKR-HNNXBMFYSA-N 1 3 296.459 1.598 20 70 CDIDHO CC(=O)NC1CCC([NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000161316300 519645171 /nfs/dbraw/zinc/64/51/71/519645171.db2.gz LNGGBHFURQUFSO-JEYLPNPQSA-N 1 3 281.444 1.755 20 70 CDIDHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(CC)CC2)C1 ZINC000159738505 361821196 /nfs/dbraw/zinc/82/11/96/361821196.db2.gz YZHUPZHVWFPMLD-OAHLLOKOSA-N 1 3 296.459 1.456 20 70 CDIDHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCCN(CC)CC2)C1 ZINC000159738505 361821203 /nfs/dbraw/zinc/82/12/03/361821203.db2.gz YZHUPZHVWFPMLD-OAHLLOKOSA-N 1 3 296.459 1.456 20 70 CDIDHO CCC(CC)(C[NH3+])C(=O)N1CCN(c2ccncc2)CC1 ZINC000161303203 482872596 /nfs/dbraw/zinc/87/25/96/482872596.db2.gz PGNSHCJMBMTPDN-UHFFFAOYSA-N 1 3 290.411 1.495 20 70 CDIDHO CC(C)[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000159500873 345179076 /nfs/dbraw/zinc/17/90/76/345179076.db2.gz UZJLBIBFPXVATP-OAHLLOKOSA-N 1 3 290.411 1.316 20 70 CDIDHO COc1cc(CN2CCC([C@@H](C)[NH3+])CC2)cc2c1OCO2 ZINC000159982338 362385340 /nfs/dbraw/zinc/38/53/40/362385340.db2.gz MYKNTEXIDFPZEK-LLVKDONJSA-N 1 3 292.379 1.983 20 70 CDIDHO CN(C)C[C@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000160985307 282140157 /nfs/dbraw/zinc/14/01/57/282140157.db2.gz JCQHGZVLBXARHQ-HNNXBMFYSA-N 1 3 269.433 1.125 20 70 CDIDHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000160701718 526337382 /nfs/dbraw/zinc/33/73/82/526337382.db2.gz MHJMPWBGKIDFGH-MJBXVCDLSA-N 1 3 265.401 1.023 20 70 CDIDHO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161053905 342353501 /nfs/dbraw/zinc/35/35/01/342353501.db2.gz OCZYPTBXGRZLGB-ZIAGYGMSSA-N 1 3 267.417 1.367 20 70 CDIDHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160275243 361239239 /nfs/dbraw/zinc/23/92/39/361239239.db2.gz LPAPHPJHTSJGKY-LLVKDONJSA-N 1 3 287.363 1.668 20 70 CDIDHO C[NH+](C)C[C@H]1CCN(C[C@H](O)CCc2ccccc2)C1 ZINC000159525196 364226535 /nfs/dbraw/zinc/22/65/35/364226535.db2.gz PDWUYYWJRGKTNT-IAGOWNOFSA-N 1 3 276.424 1.864 20 70 CDIDHO CN(CCN1CC[NH2+]CC1)Cc1coc2ccccc12 ZINC000161112500 482861315 /nfs/dbraw/zinc/86/13/15/482861315.db2.gz HYULEJPNTURKBI-UHFFFAOYSA-N 1 3 273.380 1.770 20 70 CDIDHO CCC(CC)(C[NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000161274410 521424506 /nfs/dbraw/zinc/42/45/06/521424506.db2.gz LKJNOYZUHYERQJ-UHFFFAOYSA-N 1 3 291.439 2.000 20 70 CDIDHO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000161228836 367699621 /nfs/dbraw/zinc/69/96/21/367699621.db2.gz ZALPEMQUAZAXMU-OAHLLOKOSA-N 1 3 275.396 1.572 20 70 CDIDHO C(CN1CCC[C@@H]1CN1CCOCC1)C[NH+]1CCCCC1 ZINC000161285916 391586676 /nfs/dbraw/zinc/58/66/76/391586676.db2.gz MMNZWLGSDKTBQE-QGZVFWFLSA-N 1 3 295.471 1.659 20 70 CDIDHO C(CN1CCCCC1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000161285916 391586679 /nfs/dbraw/zinc/58/66/79/391586679.db2.gz MMNZWLGSDKTBQE-QGZVFWFLSA-N 1 3 295.471 1.659 20 70 CDIDHO C(CN1CCCCC1)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000161285916 391586681 /nfs/dbraw/zinc/58/66/81/391586681.db2.gz MMNZWLGSDKTBQE-QGZVFWFLSA-N 1 3 295.471 1.659 20 70 CDIDHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000217557268 140162635 /nfs/dbraw/zinc/16/26/35/140162635.db2.gz QGIRUMSVNSNRQT-DMRZNYOFSA-N 1 3 265.445 1.979 20 70 CDIDHO CCN1CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000159962241 361975530 /nfs/dbraw/zinc/97/55/30/361975530.db2.gz FQSKDEXBUGBYNL-AWEZNQCLSA-N 1 3 298.475 1.700 20 70 CDIDHO CCN1CCCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159624678 361756990 /nfs/dbraw/zinc/75/69/90/361756990.db2.gz PMJSGSMFZFZUJK-HNNXBMFYSA-N 1 3 296.459 1.456 20 70 CDIDHO CCN1CCCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159624678 361756994 /nfs/dbraw/zinc/75/69/94/361756994.db2.gz PMJSGSMFZFZUJK-HNNXBMFYSA-N 1 3 296.459 1.456 20 70 CDIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cncs1 ZINC000160198442 362052185 /nfs/dbraw/zinc/05/21/85/362052185.db2.gz XRAJWOKCYWBXHL-LBPRGKRZSA-N 1 3 282.457 1.820 20 70 CDIDHO C(CN1CCN(CC2CC2)CC1)C[NH+]1CCCCC1 ZINC000161287435 518386482 /nfs/dbraw/zinc/38/64/82/518386482.db2.gz KRYNAEVBLRCGNG-UHFFFAOYSA-N 1 3 265.445 1.890 20 70 CDIDHO CC(=O)NC1CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000161316443 519645466 /nfs/dbraw/zinc/64/54/66/519645466.db2.gz LNGGBHFURQUFSO-IUDNXUCKSA-N 1 3 281.444 1.755 20 70 CDIDHO CC[C@@H](C)N(C)CC[NH2+]Cc1cnc(N(C)C)n1C ZINC000217744852 140164534 /nfs/dbraw/zinc/16/45/34/140164534.db2.gz QBRFEOVHIGMQPH-GFCCVEGCSA-N 1 3 267.421 1.306 20 70 CDIDHO CCN1CCC([N@H+](C)CC[C@H]2CCCN2C)CC1 ZINC000161350692 521562099 /nfs/dbraw/zinc/56/20/99/521562099.db2.gz CDGNQMAXACEBNC-CQSZACIVSA-N 1 3 253.434 1.887 20 70 CDIDHO CCN1CCC([N@@H+](C)CC[C@H]2CCCN2C)CC1 ZINC000161350692 521562105 /nfs/dbraw/zinc/56/21/05/521562105.db2.gz CDGNQMAXACEBNC-CQSZACIVSA-N 1 3 253.434 1.887 20 70 CDIDHO CC[C@](C)(O)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000160765879 529374106 /nfs/dbraw/zinc/37/41/06/529374106.db2.gz LVYCYFKOSAZRQP-ULQDDVLXSA-N 1 3 297.487 1.638 20 70 CDIDHO CC[C@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160845762 281290351 /nfs/dbraw/zinc/29/03/51/281290351.db2.gz AJTMZLIIHXUBDL-UXLLHSPISA-N 1 3 298.471 1.969 20 70 CDIDHO CCN1CCCC[C@H]1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000161164085 358789554 /nfs/dbraw/zinc/78/95/54/358789554.db2.gz ZDYKPBKETLWLNN-KFWWJZLASA-N 1 3 253.434 1.933 20 70 CDIDHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000161066249 288076916 /nfs/dbraw/zinc/07/69/16/288076916.db2.gz KYKAZMVWDZQPJH-KBXIAJHMSA-N 1 3 253.434 1.789 20 70 CDIDHO C[C@H](CNC(=O)CCC1CC[NH2+]CC1)N1CCCC1 ZINC000161042413 342073022 /nfs/dbraw/zinc/07/30/22/342073022.db2.gz XQJOFQOIRDQOES-CYBMUJFWSA-N 1 3 267.417 1.367 20 70 CDIDHO CC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)N(C)C ZINC000160346766 363821040 /nfs/dbraw/zinc/82/10/40/363821040.db2.gz HLAPIIZNXYNDOX-SQWLQELKSA-N 1 3 283.460 1.953 20 70 CDIDHO CC[C@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000160846019 358774217 /nfs/dbraw/zinc/77/42/17/358774217.db2.gz AJTMZLIIHXUBDL-INMHGKMJSA-N 1 3 298.471 1.969 20 70 CDIDHO COCCOCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159903751 237161377 /nfs/dbraw/zinc/16/13/77/237161377.db2.gz OXZAKOFFHPQWAV-LSDHHAIUSA-N 1 3 270.417 1.646 20 70 CDIDHO COCCOCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159903751 237161387 /nfs/dbraw/zinc/16/13/87/237161387.db2.gz OXZAKOFFHPQWAV-LSDHHAIUSA-N 1 3 270.417 1.646 20 70 CDIDHO COCCOCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000159903751 237161398 /nfs/dbraw/zinc/16/13/98/237161398.db2.gz OXZAKOFFHPQWAV-LSDHHAIUSA-N 1 3 270.417 1.646 20 70 CDIDHO O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000217953904 140164862 /nfs/dbraw/zinc/16/48/62/140164862.db2.gz NATBUFQOPXXKJB-CVEARBPZSA-N 1 3 287.407 1.519 20 70 CDIDHO c1cc(N2CCN(CC[NH+]3CCCCC3)CC2)ccn1 ZINC000161362599 539117655 /nfs/dbraw/zinc/11/76/55/539117655.db2.gz QFUYUMZOIHIMOX-UHFFFAOYSA-N 1 3 274.412 1.690 20 70 CDIDHO C[C@@H](O)CN(C)Cc1cccc(C[N@H+](C)C[C@H](C)O)c1 ZINC000159495133 361719106 /nfs/dbraw/zinc/71/91/06/361719106.db2.gz MXFDRIFDLLGQOT-OKILXGFUSA-N 1 3 280.412 1.312 20 70 CDIDHO C[C@@H](O)CN(C)Cc1cccc(C[N@@H+](C)C[C@H](C)O)c1 ZINC000159495133 361719111 /nfs/dbraw/zinc/71/91/11/361719111.db2.gz MXFDRIFDLLGQOT-OKILXGFUSA-N 1 3 280.412 1.312 20 70 CDIDHO C[C@@H](O)C[N@@H+](C)Cc1cccc(CN(C)C[C@H](C)O)c1 ZINC000159495133 361719115 /nfs/dbraw/zinc/71/91/15/361719115.db2.gz MXFDRIFDLLGQOT-OKILXGFUSA-N 1 3 280.412 1.312 20 70 CDIDHO C[C@@H](O)C[N@H+](C)Cc1cccc(CN(C)C[C@H](C)O)c1 ZINC000159495133 361719117 /nfs/dbraw/zinc/71/91/17/361719117.db2.gz MXFDRIFDLLGQOT-OKILXGFUSA-N 1 3 280.412 1.312 20 70 CDIDHO CCN1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000159576541 279284625 /nfs/dbraw/zinc/28/46/25/279284625.db2.gz VEKCIOXXZNMRJS-UHFFFAOYSA-N 1 3 294.443 1.350 20 70 CDIDHO COc1ccc(C[C@@H](C)NC[C@@H](C)[NH3+])cc1OC ZINC000218298335 413045489 /nfs/dbraw/zinc/04/54/89/413045489.db2.gz QQELWYUNYAOKOO-GHMZBOCLSA-N 1 3 252.358 1.572 20 70 CDIDHO NC(=O)C1([NH2+]CCCN2CCCCC2)CCCCC1 ZINC000161438493 377226936 /nfs/dbraw/zinc/22/69/36/377226936.db2.gz MFWDJVYBVPQOLV-UHFFFAOYSA-N 1 3 267.417 1.640 20 70 CDIDHO COC(=O)[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000160854220 533389620 /nfs/dbraw/zinc/38/96/20/533389620.db2.gz IZZOGJSTHIFRHQ-AWEZNQCLSA-N 1 3 268.401 1.747 20 70 CDIDHO COC(=O)[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000160854220 533389623 /nfs/dbraw/zinc/38/96/23/533389623.db2.gz IZZOGJSTHIFRHQ-AWEZNQCLSA-N 1 3 268.401 1.747 20 70 CDIDHO COc1ccc(C[C@@H](C)NC[C@H](C)[NH3+])cc1OC ZINC000218298439 414099781 /nfs/dbraw/zinc/09/97/81/414099781.db2.gz QQELWYUNYAOKOO-WDEREUQCSA-N 1 3 252.358 1.572 20 70 CDIDHO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000161181108 276157728 /nfs/dbraw/zinc/15/77/28/276157728.db2.gz GFEHCAGRMJFXMR-RRFJBIMHSA-N 1 3 253.434 1.791 20 70 CDIDHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161425142 482877989 /nfs/dbraw/zinc/87/79/89/482877989.db2.gz WDKYAOAOYYGTDZ-GJZGRUSLSA-N 1 3 275.396 1.748 20 70 CDIDHO C(CN1CCCCC1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000161268874 275393451 /nfs/dbraw/zinc/39/34/51/275393451.db2.gz ZJKKKXGQACXTBV-INIZCTEOSA-N 1 3 281.444 1.269 20 70 CDIDHO C(CN1CCCCC1)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000161268874 275393452 /nfs/dbraw/zinc/39/34/52/275393452.db2.gz ZJKKKXGQACXTBV-INIZCTEOSA-N 1 3 281.444 1.269 20 70 CDIDHO Cc1nn(C)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000161186882 366019525 /nfs/dbraw/zinc/01/95/25/366019525.db2.gz VTAVTLGXFNUJSK-ZIAGYGMSSA-N 1 3 294.443 1.708 20 70 CDIDHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCN1C ZINC000161012660 291147758 /nfs/dbraw/zinc/14/77/58/291147758.db2.gz UNIWPVISNJPTHU-YJNKXOJESA-N 1 3 253.434 1.932 20 70 CDIDHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000159576921 276372653 /nfs/dbraw/zinc/37/26/53/276372653.db2.gz XYDYKODGINUVCN-CHWSQXEVSA-N 1 3 255.406 1.173 20 70 CDIDHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000159576921 276372654 /nfs/dbraw/zinc/37/26/54/276372654.db2.gz XYDYKODGINUVCN-CHWSQXEVSA-N 1 3 255.406 1.173 20 70 CDIDHO CC[C@@](C)(O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160765751 529509325 /nfs/dbraw/zinc/50/93/25/529509325.db2.gz LVYCYFKOSAZRQP-IXDOHACOSA-N 1 3 297.487 1.638 20 70 CDIDHO CC[C@@](C)(O)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160765751 529509327 /nfs/dbraw/zinc/50/93/27/529509327.db2.gz LVYCYFKOSAZRQP-IXDOHACOSA-N 1 3 297.487 1.638 20 70 CDIDHO COc1ccc(C[C@H](C)NC[C@H](C)[NH3+])cc1OC ZINC000218298391 414101099 /nfs/dbraw/zinc/10/10/99/414101099.db2.gz QQELWYUNYAOKOO-QWRGUYRKSA-N 1 3 252.358 1.572 20 70 CDIDHO C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])[C@H](N)c1ccccc1 ZINC000160218769 364319858 /nfs/dbraw/zinc/31/98/58/364319858.db2.gz HAHZLZVURYPKGB-YUTCNCBUSA-N 1 3 261.369 1.272 20 70 CDIDHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000159452805 279431066 /nfs/dbraw/zinc/43/10/66/279431066.db2.gz XDFSVYLCGVJOJZ-GJZGRUSLSA-N 1 3 298.475 1.841 20 70 CDIDHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160686734 346194416 /nfs/dbraw/zinc/19/44/16/346194416.db2.gz SWJVJMVPSFBPGH-CABCVRRESA-N 1 3 294.443 1.206 20 70 CDIDHO CCN1CCCN(C(=O)NCC[NH+](CC)CC)CC1 ZINC000159507528 361725494 /nfs/dbraw/zinc/72/54/94/361725494.db2.gz NXCAORDNVGWRJV-UHFFFAOYSA-N 1 3 270.421 1.065 20 70 CDIDHO C[C@@H]([NH2+]CCO)c1ccc(OCCN(C)C)cc1 ZINC000159675216 364249821 /nfs/dbraw/zinc/24/98/21/364249821.db2.gz QTTCTWSDWPBVCD-GFCCVEGCSA-N 1 3 252.358 1.270 20 70 CDIDHO CN(C)[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160836565 282262273 /nfs/dbraw/zinc/26/22/73/282262273.db2.gz IMDBMIKXYLZSES-HIFRSBDPSA-N 1 3 294.443 1.349 20 70 CDIDHO CN(C)[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160836565 282262274 /nfs/dbraw/zinc/26/22/74/282262274.db2.gz IMDBMIKXYLZSES-HIFRSBDPSA-N 1 3 294.443 1.349 20 70 CDIDHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000159566666 361738321 /nfs/dbraw/zinc/73/83/21/361738321.db2.gz OSOKPQCNDZYKKN-CABCVRRESA-N 1 3 283.460 1.667 20 70 CDIDHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000159566666 361738323 /nfs/dbraw/zinc/73/83/23/361738323.db2.gz OSOKPQCNDZYKKN-CABCVRRESA-N 1 3 283.460 1.667 20 70 CDIDHO N[C@H](CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217808781 140165080 /nfs/dbraw/zinc/16/50/80/140165080.db2.gz BXDRLWHFVWWDDY-OAGGEKHMSA-N 1 3 287.407 1.820 20 70 CDIDHO N[C@H](CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217808781 140165081 /nfs/dbraw/zinc/16/50/81/140165081.db2.gz BXDRLWHFVWWDDY-OAGGEKHMSA-N 1 3 287.407 1.820 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000159823380 361875300 /nfs/dbraw/zinc/87/53/00/361875300.db2.gz PRQMQHANHKFPKS-CYBMUJFWSA-N 1 3 282.432 1.206 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000159823380 361875307 /nfs/dbraw/zinc/87/53/07/361875307.db2.gz PRQMQHANHKFPKS-CYBMUJFWSA-N 1 3 282.432 1.206 20 70 CDIDHO CCN1CCCN(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000159516007 361725440 /nfs/dbraw/zinc/72/54/40/361725440.db2.gz DRYIWAIMMWLZCL-UHFFFAOYSA-N 1 3 284.448 1.456 20 70 CDIDHO C[C@H](CNC(=O)[C@H]1CNCc2ccccc21)[NH+]1CCCC1 ZINC000161072636 342073043 /nfs/dbraw/zinc/07/30/43/342073043.db2.gz JTVVEHLWRHYTGN-CJNGLKHVSA-N 1 3 287.407 1.474 20 70 CDIDHO C[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)[NH+]1CCCC1 ZINC000161072247 342073078 /nfs/dbraw/zinc/07/30/78/342073078.db2.gz JTVVEHLWRHYTGN-XJKSGUPXSA-N 1 3 287.407 1.474 20 70 CDIDHO NC(=O)CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160595258 237182511 /nfs/dbraw/zinc/18/25/11/237182511.db2.gz QDOUPLPVAHDVCR-UHFFFAOYSA-N 1 3 267.417 1.450 20 70 CDIDHO CCn1cc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cn1 ZINC000160232566 362073623 /nfs/dbraw/zinc/07/36/23/362073623.db2.gz WVYUYANGDAJIAT-CQSZACIVSA-N 1 3 293.459 1.580 20 70 CDIDHO C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000217588021 373715565 /nfs/dbraw/zinc/71/55/65/373715565.db2.gz IHIXSNBWDGYARK-UKRRQHHQSA-N 1 3 275.396 1.535 20 70 CDIDHO C[N@H+]1CCC[C@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000217588021 373715575 /nfs/dbraw/zinc/71/55/75/373715575.db2.gz IHIXSNBWDGYARK-UKRRQHHQSA-N 1 3 275.396 1.535 20 70 CDIDHO CCC([NH3+])(CC)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000160440320 377063723 /nfs/dbraw/zinc/06/37/23/377063723.db2.gz RJPXAIWAOXRTRX-ZDUSSCGKSA-N 1 3 269.433 1.885 20 70 CDIDHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(CC)CC2)C1 ZINC000159738638 361820796 /nfs/dbraw/zinc/82/07/96/361820796.db2.gz YZHUPZHVWFPMLD-HNNXBMFYSA-N 1 3 296.459 1.456 20 70 CDIDHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCN(CC)CC2)C1 ZINC000159738638 361820800 /nfs/dbraw/zinc/82/08/00/361820800.db2.gz YZHUPZHVWFPMLD-HNNXBMFYSA-N 1 3 296.459 1.456 20 70 CDIDHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCN(CC)CC1 ZINC000159805151 361865035 /nfs/dbraw/zinc/86/50/35/361865035.db2.gz URFVBPISMNWERV-CQSZACIVSA-N 1 3 284.448 1.454 20 70 CDIDHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCN(CC)CC1 ZINC000159805151 361865040 /nfs/dbraw/zinc/86/50/40/361865040.db2.gz URFVBPISMNWERV-CQSZACIVSA-N 1 3 284.448 1.454 20 70 CDIDHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000160159647 362040992 /nfs/dbraw/zinc/04/09/92/362040992.db2.gz XTSAVWRLANCVRA-INIZCTEOSA-N 1 3 293.459 1.487 20 70 CDIDHO COCCOC[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161300003 533114229 /nfs/dbraw/zinc/11/42/29/533114229.db2.gz FXEVHHHKTRZZGC-MRXNPFEDSA-N 1 3 284.444 1.847 20 70 CDIDHO COCCOC[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161300086 533132750 /nfs/dbraw/zinc/13/27/50/533132750.db2.gz FXEVHHHKTRZZGC-INIZCTEOSA-N 1 3 284.444 1.847 20 70 CDIDHO C[N@@H+]1CCC[C@@H]1CCN1CCN(CC2CC2)CC1 ZINC000161435232 523823546 /nfs/dbraw/zinc/82/35/46/523823546.db2.gz ZXUICRVSFPZWFZ-OAHLLOKOSA-N 1 3 251.418 1.498 20 70 CDIDHO C[N@H+]1CCC[C@@H]1CCN1CCN(CC2CC2)CC1 ZINC000161435232 523823554 /nfs/dbraw/zinc/82/35/54/523823554.db2.gz ZXUICRVSFPZWFZ-OAHLLOKOSA-N 1 3 251.418 1.498 20 70 CDIDHO COC(=O)[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000160854081 237186791 /nfs/dbraw/zinc/18/67/91/237186791.db2.gz IZZOGJSTHIFRHQ-CQSZACIVSA-N 1 3 268.401 1.747 20 70 CDIDHO COC(=O)[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000160854081 237186797 /nfs/dbraw/zinc/18/67/97/237186797.db2.gz IZZOGJSTHIFRHQ-CQSZACIVSA-N 1 3 268.401 1.747 20 70 CDIDHO CCN1CCCN(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000159798108 390941560 /nfs/dbraw/zinc/94/15/60/390941560.db2.gz ZXEBHTDZMGOKTL-UHFFFAOYSA-N 1 3 282.432 1.208 20 70 CDIDHO CCN1CCCN(C(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000159798108 390941561 /nfs/dbraw/zinc/94/15/61/390941561.db2.gz ZXEBHTDZMGOKTL-UHFFFAOYSA-N 1 3 282.432 1.208 20 70 CDIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000159885600 539114977 /nfs/dbraw/zinc/11/49/77/539114977.db2.gz MKGKLDLMFYWUJO-OAHLLOKOSA-N 1 3 294.443 1.208 20 70 CDIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000159885600 539114978 /nfs/dbraw/zinc/11/49/78/539114978.db2.gz MKGKLDLMFYWUJO-OAHLLOKOSA-N 1 3 294.443 1.208 20 70 CDIDHO N[C@H](CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217808969 140165311 /nfs/dbraw/zinc/16/53/11/140165311.db2.gz BXDRLWHFVWWDDY-PMPSAXMXSA-N 1 3 287.407 1.820 20 70 CDIDHO N[C@H](CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217808969 140165314 /nfs/dbraw/zinc/16/53/14/140165314.db2.gz BXDRLWHFVWWDDY-PMPSAXMXSA-N 1 3 287.407 1.820 20 70 CDIDHO CCN(Cc1ccc(C(=O)NCCC[NH3+])cc1)C1CC1 ZINC000160132314 528776287 /nfs/dbraw/zinc/77/62/87/528776287.db2.gz CUXZTHQAMLRFHH-UHFFFAOYSA-N 1 3 275.396 1.750 20 70 CDIDHO CCN1CCCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000159817799 361867163 /nfs/dbraw/zinc/86/71/63/361867163.db2.gz KRNBHNPMRNTUAQ-UHFFFAOYSA-N 1 3 296.459 1.456 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000159846824 361878322 /nfs/dbraw/zinc/87/83/22/361878322.db2.gz YLMGKYNGHKAZKR-OAHLLOKOSA-N 1 3 296.459 1.598 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000159846824 361878332 /nfs/dbraw/zinc/87/83/32/361878332.db2.gz YLMGKYNGHKAZKR-OAHLLOKOSA-N 1 3 296.459 1.598 20 70 CDIDHO CN(C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160836705 282198359 /nfs/dbraw/zinc/19/83/59/282198359.db2.gz IMDBMIKXYLZSES-DZGCQCFKSA-N 1 3 294.443 1.349 20 70 CDIDHO CN(C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160836705 282198363 /nfs/dbraw/zinc/19/83/63/282198363.db2.gz IMDBMIKXYLZSES-DZGCQCFKSA-N 1 3 294.443 1.349 20 70 CDIDHO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000160318364 364334699 /nfs/dbraw/zinc/33/46/99/364334699.db2.gz NSSVUCKDAWZTDV-HUUCEWRRSA-N 1 3 273.380 1.211 20 70 CDIDHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)N(C)C ZINC000161454712 364494617 /nfs/dbraw/zinc/49/46/17/364494617.db2.gz GMJKHFUNKMTQKD-HNNXBMFYSA-N 1 3 277.412 1.575 20 70 CDIDHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)N(C)C ZINC000161454712 364494619 /nfs/dbraw/zinc/49/46/19/364494619.db2.gz GMJKHFUNKMTQKD-HNNXBMFYSA-N 1 3 277.412 1.575 20 70 CDIDHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160686631 342483141 /nfs/dbraw/zinc/48/31/41/342483141.db2.gz SWJVJMVPSFBPGH-HUUCEWRRSA-N 1 3 294.443 1.206 20 70 CDIDHO C[C@@H](CNC(=O)[C@H](CN)c1ccccc1)[NH+]1CCCC1 ZINC000160938823 342073148 /nfs/dbraw/zinc/07/31/48/342073148.db2.gz SNKCUIXMVRSCEF-DZGCQCFKSA-N 1 3 275.396 1.329 20 70 CDIDHO C[C@H](CNC(=O)C[C@@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000161043569 292798536 /nfs/dbraw/zinc/79/85/36/292798536.db2.gz COUOKFYIRAHLMI-UKRRQHHQSA-N 1 3 275.396 1.677 20 70 CDIDHO C[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000161043444 362520649 /nfs/dbraw/zinc/52/06/49/362520649.db2.gz COUOKFYIRAHLMI-DZGCQCFKSA-N 1 3 275.396 1.677 20 70 CDIDHO C[C@@H](Cc1ccc(Br)cc1)NCC[NH3+] ZINC000218189889 140164694 /nfs/dbraw/zinc/16/46/94/140164694.db2.gz PRGLBOUAEPTJIH-VIFPVBQESA-N 1 3 257.175 1.928 20 70 CDIDHO CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N(C)C ZINC000159571527 362452628 /nfs/dbraw/zinc/45/26/28/362452628.db2.gz OXXGCYOTPCTOQZ-GJZGRUSLSA-N 1 3 283.460 1.953 20 70 CDIDHO CC(C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N(C)C ZINC000159571527 362452631 /nfs/dbraw/zinc/45/26/31/362452631.db2.gz OXXGCYOTPCTOQZ-GJZGRUSLSA-N 1 3 283.460 1.953 20 70 CDIDHO NC(=O)C[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161371628 534361633 /nfs/dbraw/zinc/36/16/33/534361633.db2.gz RSHBMFBKXVKHED-CQSZACIVSA-N 1 3 267.417 1.450 20 70 CDIDHO C[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)[NH+]1CCCC1 ZINC000161072498 342073033 /nfs/dbraw/zinc/07/30/33/342073033.db2.gz JTVVEHLWRHYTGN-BBRMVZONSA-N 1 3 287.407 1.474 20 70 CDIDHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)N1CCCC1 ZINC000161080016 482858111 /nfs/dbraw/zinc/85/81/11/482858111.db2.gz LTCKQIBMMUETQJ-KGLIPLIRSA-N 1 3 269.433 1.598 20 70 CDIDHO C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161053793 342353526 /nfs/dbraw/zinc/35/35/26/342353526.db2.gz OCZYPTBXGRZLGB-UONOGXRCSA-N 1 3 267.417 1.367 20 70 CDIDHO C[C@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000161066319 358786464 /nfs/dbraw/zinc/78/64/64/358786464.db2.gz KYKAZMVWDZQPJH-XGUBFFRZSA-N 1 3 253.434 1.789 20 70 CDIDHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161425276 482877627 /nfs/dbraw/zinc/87/76/27/482877627.db2.gz WDKYAOAOYYGTDZ-HUUCEWRRSA-N 1 3 275.396 1.748 20 70 CDIDHO C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161053600 342353635 /nfs/dbraw/zinc/35/36/35/342353635.db2.gz OCZYPTBXGRZLGB-KBPBESRZSA-N 1 3 267.417 1.367 20 70 CDIDHO COc1ccc(C[C@H](C)NC[C@@H](C)[NH3+])cc1OC ZINC000218298302 414101035 /nfs/dbraw/zinc/10/10/35/414101035.db2.gz QQELWYUNYAOKOO-MNOVXSKESA-N 1 3 252.358 1.572 20 70 CDIDHO CNC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160440038 529842482 /nfs/dbraw/zinc/84/24/82/529842482.db2.gz HQBABUZEFFOEGQ-UHFFFAOYSA-N 1 3 267.417 1.320 20 70 CDIDHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCN1C ZINC000161012772 358783265 /nfs/dbraw/zinc/78/32/65/358783265.db2.gz UNIWPVISNJPTHU-KBXIAJHMSA-N 1 3 253.434 1.932 20 70 CDIDHO CC[C@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000161257563 364468569 /nfs/dbraw/zinc/46/85/69/364468569.db2.gz XTPXCQFPSCNZIL-ZDUSSCGKSA-N 1 3 277.412 1.866 20 70 CDIDHO C[C@@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000161083507 292799844 /nfs/dbraw/zinc/79/98/44/292799844.db2.gz UKEOFZMIFSLJCM-DZKIICNBSA-N 1 3 289.423 1.923 20 70 CDIDHO CCC([NH3+])(CC)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000160440183 377063947 /nfs/dbraw/zinc/06/39/47/377063947.db2.gz RJPXAIWAOXRTRX-CYBMUJFWSA-N 1 3 269.433 1.885 20 70 CDIDHO CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000161032419 365234263 /nfs/dbraw/zinc/23/42/63/365234263.db2.gz QYNIZCPCZOWMIM-CQSZACIVSA-N 1 3 269.433 1.421 20 70 CDIDHO C(CN1CCC[C@H]1CN1CCOCC1)C[NH+]1CCCCC1 ZINC000161286004 391586355 /nfs/dbraw/zinc/58/63/55/391586355.db2.gz MMNZWLGSDKTBQE-KRWDZBQOSA-N 1 3 295.471 1.659 20 70 CDIDHO C(CN1CCCCC1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000161286004 391586363 /nfs/dbraw/zinc/58/63/63/391586363.db2.gz MMNZWLGSDKTBQE-KRWDZBQOSA-N 1 3 295.471 1.659 20 70 CDIDHO C(CN1CCCCC1)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000161286004 391586365 /nfs/dbraw/zinc/58/63/65/391586365.db2.gz MMNZWLGSDKTBQE-KRWDZBQOSA-N 1 3 295.471 1.659 20 70 CDIDHO CCN1CCCN(C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000159801219 528487166 /nfs/dbraw/zinc/48/71/66/528487166.db2.gz GWFLUNGZXKCEAM-UHFFFAOYSA-N 1 3 284.448 1.454 20 70 CDIDHO CCN1CCCN(C(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000159801219 528487167 /nfs/dbraw/zinc/48/71/67/528487167.db2.gz GWFLUNGZXKCEAM-UHFFFAOYSA-N 1 3 284.448 1.454 20 70 CDIDHO CCN(C)C(=O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000217397551 360327087 /nfs/dbraw/zinc/32/70/87/360327087.db2.gz BJPTZHFWQNFXHR-UHFFFAOYSA-N 1 3 276.384 1.118 20 70 CDIDHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)N(C)C ZINC000159767370 361840705 /nfs/dbraw/zinc/84/07/05/361840705.db2.gz HYLANWFQZQRQKI-OAHLLOKOSA-N 1 3 281.444 1.563 20 70 CDIDHO CCN1CCCN(C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000159539374 362232921 /nfs/dbraw/zinc/23/29/21/362232921.db2.gz AUXVDCRMYICCNJ-UHFFFAOYSA-N 1 3 282.432 1.208 20 70 CDIDHO CCC[NH+]1CCC(N[C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000160296335 538848532 /nfs/dbraw/zinc/84/85/32/538848532.db2.gz RLMLUNVYXUVHQO-CQSZACIVSA-N 1 3 277.416 1.365 20 70 CDIDHO CCC[N@H+](CC)CCNC(=O)N1CCCN(CC)CC1 ZINC000159939633 361953773 /nfs/dbraw/zinc/95/37/73/361953773.db2.gz HBOFKWBVNSEBIK-UHFFFAOYSA-N 1 3 284.448 1.456 20 70 CDIDHO CCC[N@@H+](CC)CCNC(=O)N1CCCN(CC)CC1 ZINC000159939633 361953778 /nfs/dbraw/zinc/95/37/78/361953778.db2.gz HBOFKWBVNSEBIK-UHFFFAOYSA-N 1 3 284.448 1.456 20 70 CDIDHO C(CN1CCN(C2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000161388762 364487393 /nfs/dbraw/zinc/48/73/93/364487393.db2.gz ZLUQOHLLYLNJHM-UHFFFAOYSA-N 1 3 295.471 1.659 20 70 CDIDHO C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC1 ZINC000161011325 362471406 /nfs/dbraw/zinc/47/14/06/362471406.db2.gz IWTYYIUZKSFBAQ-AVOUXACISA-N 1 3 279.428 1.508 20 70 CDIDHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)N(C)C ZINC000159784649 139905606 /nfs/dbraw/zinc/90/56/06/139905606.db2.gz HYLANWFQZQRQKI-HNNXBMFYSA-N 1 3 281.444 1.563 20 70 CDIDHO C[C@@H](CNC(=O)[C@@H](CN)c1ccccc1)[NH+]1CCCC1 ZINC000160938578 342073121 /nfs/dbraw/zinc/07/31/21/342073121.db2.gz SNKCUIXMVRSCEF-ZFWWWQNUSA-N 1 3 275.396 1.329 20 70 CDIDHO C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000217587937 373715518 /nfs/dbraw/zinc/71/55/18/373715518.db2.gz IHIXSNBWDGYARK-DZGCQCFKSA-N 1 3 275.396 1.535 20 70 CDIDHO C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000217587937 373715525 /nfs/dbraw/zinc/71/55/25/373715525.db2.gz IHIXSNBWDGYARK-DZGCQCFKSA-N 1 3 275.396 1.535 20 70 CDIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cncs1 ZINC000160198574 362051086 /nfs/dbraw/zinc/05/10/86/362051086.db2.gz XRAJWOKCYWBXHL-GFCCVEGCSA-N 1 3 282.457 1.820 20 70 CDIDHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000159452665 279430668 /nfs/dbraw/zinc/43/06/68/279430668.db2.gz XDFSVYLCGVJOJZ-CABCVRRESA-N 1 3 298.475 1.841 20 70 CDIDHO CCN1CCC([N@H+](C)CC[C@@H]2CCCN2C)CC1 ZINC000161350559 521560019 /nfs/dbraw/zinc/56/00/19/521560019.db2.gz CDGNQMAXACEBNC-AWEZNQCLSA-N 1 3 253.434 1.887 20 70 CDIDHO CCN1CCC([N@@H+](C)CC[C@@H]2CCCN2C)CC1 ZINC000161350559 521560026 /nfs/dbraw/zinc/56/00/26/521560026.db2.gz CDGNQMAXACEBNC-AWEZNQCLSA-N 1 3 253.434 1.887 20 70 CDIDHO CC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)N(C)C ZINC000160346498 363820575 /nfs/dbraw/zinc/82/05/75/363820575.db2.gz HLAPIIZNXYNDOX-LZWOXQAQSA-N 1 3 283.460 1.953 20 70 CDIDHO COc1cc(CN2CCC(C[NH3+])CC2)cc2c1OCO2 ZINC000159978443 362383406 /nfs/dbraw/zinc/38/34/06/362383406.db2.gz DOPJVRPHQFBZOZ-UHFFFAOYSA-N 1 3 278.352 1.595 20 70 CDIDHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)N(C)C ZINC000161454842 364495432 /nfs/dbraw/zinc/49/54/32/364495432.db2.gz GMJKHFUNKMTQKD-OAHLLOKOSA-N 1 3 277.412 1.575 20 70 CDIDHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)N(C)C ZINC000161454842 364495443 /nfs/dbraw/zinc/49/54/43/364495443.db2.gz GMJKHFUNKMTQKD-OAHLLOKOSA-N 1 3 277.412 1.575 20 70 CDIDHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000160701858 526337890 /nfs/dbraw/zinc/33/78/90/526337890.db2.gz MHJMPWBGKIDFGH-MCIONIFRSA-N 1 3 265.401 1.023 20 70 CDIDHO CCN1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000159628173 361757855 /nfs/dbraw/zinc/75/78/55/361757855.db2.gz VJNUYWXZXITZTP-HNNXBMFYSA-N 1 3 296.459 1.598 20 70 CDIDHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000159566820 390940249 /nfs/dbraw/zinc/94/02/49/390940249.db2.gz OSOKPQCNDZYKKN-GJZGRUSLSA-N 1 3 283.460 1.667 20 70 CDIDHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC000159566820 390940250 /nfs/dbraw/zinc/94/02/50/390940250.db2.gz OSOKPQCNDZYKKN-GJZGRUSLSA-N 1 3 283.460 1.667 20 70 CDIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000160213135 362058739 /nfs/dbraw/zinc/05/87/39/362058739.db2.gz FERICLWFGGRKTI-CYBMUJFWSA-N 1 3 279.432 1.097 20 70 CDIDHO CC(C)(O)CN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161324602 519354649 /nfs/dbraw/zinc/35/46/49/519354649.db2.gz HSJYJDWOYZUFDY-UHFFFAOYSA-N 1 3 283.460 1.251 20 70 CDIDHO CCCC[N@H+](C)CCNC(=O)N1CCCN(CC)CC1 ZINC000159854687 528343121 /nfs/dbraw/zinc/34/31/21/528343121.db2.gz VCWRKJZLZRCLLU-UHFFFAOYSA-N 1 3 284.448 1.456 20 70 CDIDHO CCCC[N@@H+](C)CCNC(=O)N1CCCN(CC)CC1 ZINC000159854687 528343123 /nfs/dbraw/zinc/34/31/23/528343123.db2.gz VCWRKJZLZRCLLU-UHFFFAOYSA-N 1 3 284.448 1.456 20 70 CDIDHO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000161228706 361929183 /nfs/dbraw/zinc/92/91/83/361929183.db2.gz ZALPEMQUAZAXMU-HNNXBMFYSA-N 1 3 275.396 1.572 20 70 CDIDHO CCN1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000159962391 361975634 /nfs/dbraw/zinc/97/56/34/361975634.db2.gz FQSKDEXBUGBYNL-CQSZACIVSA-N 1 3 298.475 1.700 20 70 CDIDHO C(CN1CCCCC1)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000161269016 391586589 /nfs/dbraw/zinc/58/65/89/391586589.db2.gz ZJKKKXGQACXTBV-MRXNPFEDSA-N 1 3 281.444 1.269 20 70 CDIDHO C(CN1CCCCC1)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000161269016 391586592 /nfs/dbraw/zinc/58/65/92/391586592.db2.gz ZJKKKXGQACXTBV-MRXNPFEDSA-N 1 3 281.444 1.269 20 70 CDIDHO Cc1nn(C)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000161187013 366018383 /nfs/dbraw/zinc/01/83/83/366018383.db2.gz VTAVTLGXFNUJSK-KBPBESRZSA-N 1 3 294.443 1.708 20 70 CDIDHO C[C@H](CC(=O)NC[C@H](C)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000161097210 292799831 /nfs/dbraw/zinc/79/98/31/292799831.db2.gz NEYFGMIRZXWHSS-QLFBSQMISA-N 1 3 281.444 1.613 20 70 CDIDHO CN(C)[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160836829 282262143 /nfs/dbraw/zinc/26/21/43/282262143.db2.gz IMDBMIKXYLZSES-ZFWWWQNUSA-N 1 3 294.443 1.349 20 70 CDIDHO CN(C)[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160836829 282262144 /nfs/dbraw/zinc/26/21/44/282262144.db2.gz IMDBMIKXYLZSES-ZFWWWQNUSA-N 1 3 294.443 1.349 20 70 CDIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cncc(F)c1 ZINC000160252006 364325738 /nfs/dbraw/zinc/32/57/38/364325738.db2.gz XPKDXLWCLZKNDT-ZDUSSCGKSA-N 1 3 294.418 1.897 20 70 CDIDHO CCC[NH+]1CCC(N[C@@H](CCO)CSC)CC1 ZINC000160147738 377352178 /nfs/dbraw/zinc/35/21/78/377352178.db2.gz ITQZCCZWJSKINK-ZDUSSCGKSA-N 1 3 260.447 1.564 20 70 CDIDHO C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1CCCCCC1 ZINC000160768958 482823034 /nfs/dbraw/zinc/82/30/34/482823034.db2.gz JFQKIYHNJZBVBG-RDBSUJKOSA-N 1 3 267.417 1.637 20 70 CDIDHO CNC(=O)CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161360492 529846510 /nfs/dbraw/zinc/84/65/10/529846510.db2.gz GHRODGPSQILJKO-UHFFFAOYSA-N 1 3 281.444 1.711 20 70 CDIDHO CC(=O)NC[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000161298900 519673085 /nfs/dbraw/zinc/67/30/85/519673085.db2.gz OHRQDKQXLYACEF-MRXNPFEDSA-N 1 3 281.444 1.711 20 70 CDIDHO CC(=O)NC[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161298900 519673087 /nfs/dbraw/zinc/67/30/87/519673087.db2.gz OHRQDKQXLYACEF-MRXNPFEDSA-N 1 3 281.444 1.711 20 70 CDIDHO C[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)[NH+]1CCCC1 ZINC000161072369 342073057 /nfs/dbraw/zinc/07/30/57/342073057.db2.gz JTVVEHLWRHYTGN-CZUORRHYSA-N 1 3 287.407 1.474 20 70 CDIDHO CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160836458 282197958 /nfs/dbraw/zinc/19/79/58/282197958.db2.gz IMDBMIKXYLZSES-UKRRQHHQSA-N 1 3 294.443 1.349 20 70 CDIDHO CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160836458 282197959 /nfs/dbraw/zinc/19/79/59/282197959.db2.gz IMDBMIKXYLZSES-UKRRQHHQSA-N 1 3 294.443 1.349 20 70 CDIDHO CCN1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000159949838 279286157 /nfs/dbraw/zinc/28/61/57/279286157.db2.gz RLWHZDAPSCMHAZ-CABCVRRESA-N 1 3 296.459 1.596 20 70 CDIDHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCN1C ZINC000161012912 291084517 /nfs/dbraw/zinc/08/45/17/291084517.db2.gz UNIWPVISNJPTHU-XGUBFFRZSA-N 1 3 253.434 1.932 20 70 CDIDHO CC[C@@H](C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000161257436 364469241 /nfs/dbraw/zinc/46/92/41/364469241.db2.gz XTPXCQFPSCNZIL-CYBMUJFWSA-N 1 3 277.412 1.866 20 70 CDIDHO NC1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCCC1 ZINC000217806458 303356657 /nfs/dbraw/zinc/35/66/57/303356657.db2.gz ZZFVXBVDXLWGME-STQMWFEESA-N 1 3 265.401 1.391 20 70 CDIDHO NC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000217806458 303356660 /nfs/dbraw/zinc/35/66/60/303356660.db2.gz ZZFVXBVDXLWGME-STQMWFEESA-N 1 3 265.401 1.391 20 70 CDIDHO CC(C)[C@H](C(=O)NCC1([NH3+])CCCCC1)N(C)C ZINC000159502621 528916677 /nfs/dbraw/zinc/91/66/77/528916677.db2.gz AFGVYELXVGHJRK-GFCCVEGCSA-N 1 3 255.406 1.350 20 70 CDIDHO CC[C@](C)(O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160765617 529374241 /nfs/dbraw/zinc/37/42/41/529374241.db2.gz LVYCYFKOSAZRQP-BBWFWOEESA-N 1 3 297.487 1.638 20 70 CDIDHO CC[C@](C)(O)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160765617 529374244 /nfs/dbraw/zinc/37/42/44/529374244.db2.gz LVYCYFKOSAZRQP-BBWFWOEESA-N 1 3 297.487 1.638 20 70 CDIDHO C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])[C@@H](N)c1ccccc1 ZINC000160219048 364319576 /nfs/dbraw/zinc/31/95/76/364319576.db2.gz HAHZLZVURYPKGB-IACUBPJLSA-N 1 3 261.369 1.272 20 70 CDIDHO C[NH+](C)Cc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000160244678 292781219 /nfs/dbraw/zinc/78/12/19/292781219.db2.gz FJVKYDFNPAAVRF-UHFFFAOYSA-N 1 3 289.423 1.964 20 70 CDIDHO CN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160665476 346190167 /nfs/dbraw/zinc/19/01/67/346190167.db2.gz CYUNGHFNCDPUFS-HNNXBMFYSA-N 1 3 294.443 1.208 20 70 CDIDHO CN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160665476 346190170 /nfs/dbraw/zinc/19/01/70/346190170.db2.gz CYUNGHFNCDPUFS-HNNXBMFYSA-N 1 3 294.443 1.208 20 70 CDIDHO CCn1cc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cn1 ZINC000160232687 362074096 /nfs/dbraw/zinc/07/40/96/362074096.db2.gz WVYUYANGDAJIAT-AWEZNQCLSA-N 1 3 293.459 1.580 20 70 CDIDHO Cc1ccc(C[N@@H+](C)CCCN2CCN(C)CC2)o1 ZINC000161289526 364474348 /nfs/dbraw/zinc/47/43/48/364474348.db2.gz XUQOSPHXEZHMDL-UHFFFAOYSA-N 1 3 265.401 1.657 20 70 CDIDHO Cc1ccc(C[N@H+](C)CCCN2CCN(C)CC2)o1 ZINC000161289526 364474353 /nfs/dbraw/zinc/47/43/53/364474353.db2.gz XUQOSPHXEZHMDL-UHFFFAOYSA-N 1 3 265.401 1.657 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000159664467 364247481 /nfs/dbraw/zinc/24/74/81/364247481.db2.gz ZGCZJGZMSZXZIY-AWEZNQCLSA-N 1 3 294.443 1.208 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000159664467 364247491 /nfs/dbraw/zinc/24/74/91/364247491.db2.gz ZGCZJGZMSZXZIY-AWEZNQCLSA-N 1 3 294.443 1.208 20 70 CDIDHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161425416 482878500 /nfs/dbraw/zinc/87/85/00/482878500.db2.gz WDKYAOAOYYGTDZ-CABCVRRESA-N 1 3 275.396 1.748 20 70 CDIDHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000159577063 279334157 /nfs/dbraw/zinc/33/41/57/279334157.db2.gz XYDYKODGINUVCN-QWHCGFSZSA-N 1 3 255.406 1.173 20 70 CDIDHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000159577063 279334158 /nfs/dbraw/zinc/33/41/58/279334158.db2.gz XYDYKODGINUVCN-QWHCGFSZSA-N 1 3 255.406 1.173 20 70 CDIDHO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000217924695 536428196 /nfs/dbraw/zinc/42/81/96/536428196.db2.gz LLDVOGSQDFGZKW-HEHGZKQESA-N 1 3 289.423 1.865 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000159664600 361765080 /nfs/dbraw/zinc/76/50/80/361765080.db2.gz ZGCZJGZMSZXZIY-CQSZACIVSA-N 1 3 294.443 1.208 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000159664600 361765085 /nfs/dbraw/zinc/76/50/85/361765085.db2.gz ZGCZJGZMSZXZIY-CQSZACIVSA-N 1 3 294.443 1.208 20 70 CDIDHO C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC1 ZINC000161011441 362470981 /nfs/dbraw/zinc/47/09/81/362470981.db2.gz IWTYYIUZKSFBAQ-FFHGMXDLSA-N 1 3 279.428 1.508 20 70 CDIDHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161425027 482878337 /nfs/dbraw/zinc/87/83/37/482878337.db2.gz WDKYAOAOYYGTDZ-LSDHHAIUSA-N 1 3 275.396 1.748 20 70 CDIDHO CC(C)[C@H](C(=O)NCC(C)(C)C[NH+](C)C)N(C)C ZINC000159582829 361736884 /nfs/dbraw/zinc/73/68/84/361736884.db2.gz AICBUNHBSVZVIV-GFCCVEGCSA-N 1 3 257.422 1.277 20 70 CDIDHO C[C@H](Cc1ccc(Br)cc1)NCC[NH3+] ZINC000218189984 140165521 /nfs/dbraw/zinc/16/55/21/140165521.db2.gz PRGLBOUAEPTJIH-SECBINFHSA-N 1 3 257.175 1.928 20 70 CDIDHO c1nc(C2CCN(CCC[NH+]3CCCCC3)CC2)n[nH]1 ZINC000161488291 526622958 /nfs/dbraw/zinc/62/29/58/526622958.db2.gz BUSGLNXGSFEOPJ-UHFFFAOYSA-N 1 3 277.416 1.860 20 70 CDIDHO CCCN1CC[C@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161348582 519863838 /nfs/dbraw/zinc/86/38/38/519863838.db2.gz WJXMLFIFKUMRHM-QQFBHYJXSA-N 1 3 281.444 1.755 20 70 CDIDHO O=C(NCC[NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000160711799 362476194 /nfs/dbraw/zinc/47/61/94/362476194.db2.gz HTCWEMJWHDBKEY-UHFFFAOYSA-N 1 3 288.395 1.166 20 70 CDIDHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCN1C ZINC000161012545 278028708 /nfs/dbraw/zinc/02/87/08/278028708.db2.gz UNIWPVISNJPTHU-TUVASFSCSA-N 1 3 253.434 1.932 20 70 CDIDHO C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)N1CCCC1 ZINC000161042291 342073135 /nfs/dbraw/zinc/07/31/35/342073135.db2.gz XQJOFQOIRDQOES-ZDUSSCGKSA-N 1 3 267.417 1.367 20 70 CDIDHO CCN1CCCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000159949971 361962147 /nfs/dbraw/zinc/96/21/47/361962147.db2.gz RLWHZDAPSCMHAZ-GJZGRUSLSA-N 1 3 296.459 1.596 20 70 CDIDHO COc1cc(CN2CCC([C@H](C)[NH3+])CC2)cc2c1OCO2 ZINC000159982227 362384842 /nfs/dbraw/zinc/38/48/42/362384842.db2.gz MYKNTEXIDFPZEK-NSHDSACASA-N 1 3 292.379 1.983 20 70 CDIDHO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000161163939 358789848 /nfs/dbraw/zinc/78/98/48/358789848.db2.gz ZDYKPBKETLWLNN-RBSFLKMASA-N 1 3 253.434 1.933 20 70 CDIDHO C[C@@H](O)CN(C)Cc1cccc(C[N@H+](C)C[C@@H](C)O)c1 ZINC000159495251 364219042 /nfs/dbraw/zinc/21/90/42/364219042.db2.gz MXFDRIFDLLGQOT-ZIAGYGMSSA-N 1 3 280.412 1.312 20 70 CDIDHO C[C@@H](O)CN(C)Cc1cccc(C[N@@H+](C)C[C@@H](C)O)c1 ZINC000159495251 364219048 /nfs/dbraw/zinc/21/90/48/364219048.db2.gz MXFDRIFDLLGQOT-ZIAGYGMSSA-N 1 3 280.412 1.312 20 70 CDIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000160213054 362058663 /nfs/dbraw/zinc/05/86/63/362058663.db2.gz FERICLWFGGRKTI-ZDUSSCGKSA-N 1 3 279.432 1.097 20 70 CDIDHO C[C@H]([NH2+]CCO)c1ccc(OCCN(C)C)cc1 ZINC000159675080 364250016 /nfs/dbraw/zinc/25/00/16/364250016.db2.gz QTTCTWSDWPBVCD-LBPRGKRZSA-N 1 3 252.358 1.270 20 70 CDIDHO CN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160665355 346190207 /nfs/dbraw/zinc/19/02/07/346190207.db2.gz CYUNGHFNCDPUFS-OAHLLOKOSA-N 1 3 294.443 1.208 20 70 CDIDHO CN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160665355 346190210 /nfs/dbraw/zinc/19/02/10/346190210.db2.gz CYUNGHFNCDPUFS-OAHLLOKOSA-N 1 3 294.443 1.208 20 70 CDIDHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000160318487 364334766 /nfs/dbraw/zinc/33/47/66/364334766.db2.gz NSSVUCKDAWZTDV-CABCVRRESA-N 1 3 273.380 1.211 20 70 CDIDHO COc1cc(CN2CCC(CC[NH3+])CC2)cc2c1OCO2 ZINC000159986294 292775023 /nfs/dbraw/zinc/77/50/23/292775023.db2.gz HNULTNSKPBGOBE-UHFFFAOYSA-N 1 3 292.379 1.985 20 70 CDIDHO C[C@@H](CNC(=O)C[C@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000161043191 292798519 /nfs/dbraw/zinc/79/85/19/292798519.db2.gz COUOKFYIRAHLMI-ZFWWWQNUSA-N 1 3 275.396 1.677 20 70 CDIDHO C[C@H](CNC(=O)[C@H](CN)c1ccccc1)[NH+]1CCCC1 ZINC000160938943 342073045 /nfs/dbraw/zinc/07/30/45/342073045.db2.gz SNKCUIXMVRSCEF-UKRRQHHQSA-N 1 3 275.396 1.329 20 70 CDIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cncc(F)c1 ZINC000160252139 364326309 /nfs/dbraw/zinc/32/63/09/364326309.db2.gz XPKDXLWCLZKNDT-CYBMUJFWSA-N 1 3 294.418 1.897 20 70 CDIDHO CCC[NH+]1CCC(N[C@H](CCO)CSC)CC1 ZINC000160147857 377352731 /nfs/dbraw/zinc/35/27/31/377352731.db2.gz ITQZCCZWJSKINK-CYBMUJFWSA-N 1 3 260.447 1.564 20 70 CDIDHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000160686858 346194379 /nfs/dbraw/zinc/19/43/79/346194379.db2.gz SWJVJMVPSFBPGH-LSDHHAIUSA-N 1 3 294.443 1.206 20 70 CDIDHO CCC[NH+]1CCC(N[C@H]2CCc3nc(C)nn3C2)CC1 ZINC000160296482 538848326 /nfs/dbraw/zinc/84/83/26/538848326.db2.gz RLMLUNVYXUVHQO-AWEZNQCLSA-N 1 3 277.416 1.365 20 70 CDIDHO CC[C@@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160845892 358774573 /nfs/dbraw/zinc/77/45/73/358774573.db2.gz AJTMZLIIHXUBDL-HLLBOEOZSA-N 1 3 298.471 1.969 20 70 CDIDHO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000217924527 536426974 /nfs/dbraw/zinc/42/69/74/536426974.db2.gz LLDVOGSQDFGZKW-WOSRLPQWSA-N 1 3 289.423 1.865 20 70 CDIDHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(CC)CC1 ZINC000159805285 361866051 /nfs/dbraw/zinc/86/60/51/361866051.db2.gz URFVBPISMNWERV-AWEZNQCLSA-N 1 3 284.448 1.454 20 70 CDIDHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCN(CC)CC1 ZINC000159805285 361866057 /nfs/dbraw/zinc/86/60/57/361866057.db2.gz URFVBPISMNWERV-AWEZNQCLSA-N 1 3 284.448 1.454 20 70 CDIDHO C[C@H](CNC(=O)[C@@H](C)[C@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000161083638 292799792 /nfs/dbraw/zinc/79/97/92/292799792.db2.gz UKEOFZMIFSLJCM-YCPHGPKFSA-N 1 3 289.423 1.923 20 70 CDIDHO NC(=O)C[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161371768 237202833 /nfs/dbraw/zinc/20/28/33/237202833.db2.gz RSHBMFBKXVKHED-AWEZNQCLSA-N 1 3 267.417 1.450 20 70 CDIDHO CCC[NH+]1CCC(NC(=O)N2CCCN(CC)CC2)CC1 ZINC000159912283 528198871 /nfs/dbraw/zinc/19/88/71/528198871.db2.gz MWJZSXFDMAGTNZ-UHFFFAOYSA-N 1 3 296.459 1.598 20 70 CDIDHO CC[C@@H](Cc1ccc(OC)c(OC)c1)NCC[NH3+] ZINC000218288191 342439601 /nfs/dbraw/zinc/43/96/01/342439601.db2.gz GTGCWBDRTBWCMU-LBPRGKRZSA-N 1 3 252.358 1.573 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000159823528 361875076 /nfs/dbraw/zinc/87/50/76/361875076.db2.gz PRQMQHANHKFPKS-ZDUSSCGKSA-N 1 3 282.432 1.206 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000159823528 361875082 /nfs/dbraw/zinc/87/50/82/361875082.db2.gz PRQMQHANHKFPKS-ZDUSSCGKSA-N 1 3 282.432 1.206 20 70 CDIDHO CCN1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000159628293 285214532 /nfs/dbraw/zinc/21/45/32/285214532.db2.gz VJNUYWXZXITZTP-OAHLLOKOSA-N 1 3 296.459 1.598 20 70 CDIDHO CC(C)(C)NC(=O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000159872936 534700413 /nfs/dbraw/zinc/70/04/13/534700413.db2.gz BFRSGDJEXZIJDX-UHFFFAOYSA-N 1 3 290.411 1.555 20 70 CDIDHO C[C@H](CNC(=O)C[C@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000161043312 362520813 /nfs/dbraw/zinc/52/08/13/362520813.db2.gz COUOKFYIRAHLMI-HIFRSBDPSA-N 1 3 275.396 1.677 20 70 CDIDHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000159453091 279431202 /nfs/dbraw/zinc/43/12/02/279431202.db2.gz XDFSVYLCGVJOJZ-LSDHHAIUSA-N 1 3 298.475 1.841 20 70 CDIDHO C[N@@H+]1CCC[C@H]1CCN1CCN(CC2CC2)CC1 ZINC000161435359 523848523 /nfs/dbraw/zinc/84/85/23/523848523.db2.gz ZXUICRVSFPZWFZ-HNNXBMFYSA-N 1 3 251.418 1.498 20 70 CDIDHO C[N@H+]1CCC[C@H]1CCN1CCN(CC2CC2)CC1 ZINC000161435359 523848529 /nfs/dbraw/zinc/84/85/29/523848529.db2.gz ZXUICRVSFPZWFZ-HNNXBMFYSA-N 1 3 251.418 1.498 20 70 CDIDHO C[C@H](CC(=O)NC[C@@H](C)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000161096946 362587231 /nfs/dbraw/zinc/58/72/31/362587231.db2.gz NEYFGMIRZXWHSS-RBSFLKMASA-N 1 3 281.444 1.613 20 70 CDIDHO COCCOC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161146315 237192625 /nfs/dbraw/zinc/19/26/25/237192625.db2.gz LGNSCFIDGKSWKC-UHFFFAOYSA-N 1 3 284.444 1.990 20 70 CDIDHO CC(=O)NC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000161298818 519670776 /nfs/dbraw/zinc/67/07/76/519670776.db2.gz OHRQDKQXLYACEF-INIZCTEOSA-N 1 3 281.444 1.711 20 70 CDIDHO CC(=O)NC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161298818 519670777 /nfs/dbraw/zinc/67/07/77/519670777.db2.gz OHRQDKQXLYACEF-INIZCTEOSA-N 1 3 281.444 1.711 20 70 CDIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000159885754 539114987 /nfs/dbraw/zinc/11/49/87/539114987.db2.gz MKGKLDLMFYWUJO-HNNXBMFYSA-N 1 3 294.443 1.208 20 70 CDIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000159885754 539114988 /nfs/dbraw/zinc/11/49/88/539114988.db2.gz MKGKLDLMFYWUJO-HNNXBMFYSA-N 1 3 294.443 1.208 20 70 CDIDHO CCN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000217435756 276131447 /nfs/dbraw/zinc/13/14/47/276131447.db2.gz YLEOUDBONFGEMA-XHSDSOJGSA-N 1 3 265.445 1.981 20 70 CDIDHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)N1CCCC1 ZINC000161080259 482858203 /nfs/dbraw/zinc/85/82/03/482858203.db2.gz LTCKQIBMMUETQJ-KBPBESRZSA-N 1 3 269.433 1.598 20 70 CDIDHO CC[C@](C)(O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000161264987 523494185 /nfs/dbraw/zinc/49/41/85/523494185.db2.gz KCXCCCARCCCVJH-CABCVRRESA-N 1 3 254.418 1.955 20 70 CDIDHO CC[C@](C)(O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000161264987 523494195 /nfs/dbraw/zinc/49/41/95/523494195.db2.gz KCXCCCARCCCVJH-CABCVRRESA-N 1 3 254.418 1.955 20 70 CDIDHO CC[C@](C)(O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000161264987 523494203 /nfs/dbraw/zinc/49/42/03/523494203.db2.gz KCXCCCARCCCVJH-CABCVRRESA-N 1 3 254.418 1.955 20 70 CDIDHO CCN1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000159519047 361726459 /nfs/dbraw/zinc/72/64/59/361726459.db2.gz FXGWEUMEOJFHDM-UHFFFAOYSA-N 1 3 298.475 1.842 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000159699208 276366811 /nfs/dbraw/zinc/36/68/11/276366811.db2.gz QBYKWQNPQXPYET-HNNXBMFYSA-N 1 3 296.459 1.456 20 70 CDIDHO CC(C)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161245183 377521386 /nfs/dbraw/zinc/52/13/86/377521386.db2.gz KSHSQPAXEQSQEA-UHFFFAOYSA-N 1 3 253.434 1.888 20 70 CDIDHO CCN1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000159825286 279285382 /nfs/dbraw/zinc/28/53/82/279285382.db2.gz WSTNITCXDYPFEL-UHFFFAOYSA-N 1 3 296.459 1.598 20 70 CDIDHO CCN1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000159825286 279285384 /nfs/dbraw/zinc/28/53/84/279285384.db2.gz WSTNITCXDYPFEL-UHFFFAOYSA-N 1 3 296.459 1.598 20 70 CDIDHO CCN1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000159699069 285210046 /nfs/dbraw/zinc/21/00/46/285210046.db2.gz QBYKWQNPQXPYET-OAHLLOKOSA-N 1 3 296.459 1.456 20 70 CDIDHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC000161090431 276173482 /nfs/dbraw/zinc/17/34/82/276173482.db2.gz XYDYKODGINUVCN-OLZOCXBDSA-N 1 3 255.406 1.173 20 70 CDIDHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC000161090431 276173483 /nfs/dbraw/zinc/17/34/83/276173483.db2.gz XYDYKODGINUVCN-OLZOCXBDSA-N 1 3 255.406 1.173 20 70 CDIDHO CN1CCC(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000159751919 361826654 /nfs/dbraw/zinc/82/66/54/361826654.db2.gz KEKVJVXSIBRBNY-UHFFFAOYSA-N 1 3 253.390 1.106 20 70 CDIDHO COCCOCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159903617 237160138 /nfs/dbraw/zinc/16/01/38/237160138.db2.gz OXZAKOFFHPQWAV-HUUCEWRRSA-N 1 3 270.417 1.646 20 70 CDIDHO COCCOCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159903617 237160147 /nfs/dbraw/zinc/16/01/47/237160147.db2.gz OXZAKOFFHPQWAV-HUUCEWRRSA-N 1 3 270.417 1.646 20 70 CDIDHO COCCOCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000159903617 237160155 /nfs/dbraw/zinc/16/01/55/237160155.db2.gz OXZAKOFFHPQWAV-HUUCEWRRSA-N 1 3 270.417 1.646 20 70 CDIDHO CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000161011296 364607615 /nfs/dbraw/zinc/60/76/15/364607615.db2.gz QYNIZCPCZOWMIM-AWEZNQCLSA-N 1 3 269.433 1.421 20 70 CDIDHO CCN1CCCC[C@H]1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000161181250 276366347 /nfs/dbraw/zinc/36/63/47/276366347.db2.gz GFEHCAGRMJFXMR-SOUVJXGZSA-N 1 3 253.434 1.791 20 70 CDIDHO C[NH2+]CC1CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000159980121 362385847 /nfs/dbraw/zinc/38/58/47/362385847.db2.gz PCYNKTSLMAVSPV-UHFFFAOYSA-N 1 3 292.379 1.855 20 70 CDIDHO CCN1CCCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000159528302 361730360 /nfs/dbraw/zinc/73/03/60/361730360.db2.gz GQTUNNLPFVKFTE-UHFFFAOYSA-N 1 3 296.459 1.596 20 70 CDIDHO CC(C)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)C ZINC000161134678 292800585 /nfs/dbraw/zinc/80/05/85/292800585.db2.gz YUWJMZJPGUMGSI-ZDUSSCGKSA-N 1 3 283.460 1.998 20 70 CDIDHO C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1CCCCCC1 ZINC000160768695 482823408 /nfs/dbraw/zinc/82/34/08/482823408.db2.gz JFQKIYHNJZBVBG-HZSPNIEDSA-N 1 3 267.417 1.637 20 70 CDIDHO