smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159715244 351965597 /nfs/dbraw/zinc/96/55/97/351965597.db2.gz PXCYZMYLXMRDGS-OUAUKWLOSA-N 1 2 284.360 -0.635 20 70 CBIDLO CCC[C@@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159715244 351965600 /nfs/dbraw/zinc/96/56/00/351965600.db2.gz PXCYZMYLXMRDGS-OUAUKWLOSA-N 1 2 284.360 -0.635 20 70 CBIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c1 ZINC000159806705 351967123 /nfs/dbraw/zinc/96/71/23/351967123.db2.gz BUDVPAFZQZSNIU-LLVKDONJSA-N 1 2 265.313 -0.111 20 70 CBIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c1 ZINC000159806705 351967128 /nfs/dbraw/zinc/96/71/28/351967128.db2.gz BUDVPAFZQZSNIU-LLVKDONJSA-N 1 2 265.313 -0.111 20 70 CBIDLO CCS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160396488 351969785 /nfs/dbraw/zinc/96/97/85/351969785.db2.gz MKIVOXAQBPBVET-JTQLQIEISA-N 1 2 250.364 -0.106 20 70 CBIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1=CCCOC1 ZINC000159831747 188444015 /nfs/dbraw/zinc/44/40/15/188444015.db2.gz YZHODLDFXSQTIW-LLVKDONJSA-N 1 2 268.313 -0.303 20 70 CBIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1=CCCOC1 ZINC000159831747 188444017 /nfs/dbraw/zinc/44/40/17/188444017.db2.gz YZHODLDFXSQTIW-LLVKDONJSA-N 1 2 268.313 -0.303 20 70 CBIDLO C[C@@H](CNS(=O)(=O)N(C)C)C[NH+]1CCOCC1 ZINC000160392896 286876130 /nfs/dbraw/zinc/87/61/30/286876130.db2.gz IYXWQWFILXBYRO-JTQLQIEISA-N 1 2 265.379 -0.649 20 70 CBIDLO C[C@H](CNS(=O)(=O)N(C)C)C[NH+]1CCOCC1 ZINC000160393027 298774327 /nfs/dbraw/zinc/77/43/27/298774327.db2.gz IYXWQWFILXBYRO-SNVBAGLBSA-N 1 2 265.379 -0.649 20 70 CBIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(N)(=O)=O ZINC000159470422 327197328 /nfs/dbraw/zinc/19/73/28/327197328.db2.gz MHSNPIMBPCWZIJ-UHFFFAOYSA-N 1 2 265.379 -0.520 20 70 CBIDLO CC[N@H+](CC(=O)N1CCNC1=O)Cc1cnn(C)c1 ZINC000161089598 520316405 /nfs/dbraw/zinc/31/64/05/520316405.db2.gz NOHLZJIIXSUPFO-UHFFFAOYSA-N 1 2 265.317 -0.206 20 70 CBIDLO CC[N@@H+](CC(=O)N1CCNC1=O)Cc1cnn(C)c1 ZINC000161089598 520316411 /nfs/dbraw/zinc/31/64/11/520316411.db2.gz NOHLZJIIXSUPFO-UHFFFAOYSA-N 1 2 265.317 -0.206 20 70 CBIDLO COCCCS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160372941 351970636 /nfs/dbraw/zinc/97/06/36/351970636.db2.gz BOBJNHZBKQQYLR-GFCCVEGCSA-N 1 2 294.417 -0.089 20 70 CBIDLO C[C@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000160607623 351971209 /nfs/dbraw/zinc/97/12/09/351971209.db2.gz UICRZNKNSXFBAY-GHMZBOCLSA-N 1 2 257.334 -0.205 20 70 CBIDLO CNC(=O)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161172635 351974135 /nfs/dbraw/zinc/97/41/35/351974135.db2.gz XZGANOYRZAFRBE-UHFFFAOYSA-N 1 2 291.355 -0.345 20 70 CBIDLO CCN(C(=O)C[N@H+](C)[C@H](C)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000218148780 352235193 /nfs/dbraw/zinc/23/51/93/352235193.db2.gz GJNHKQWMGQZWQY-GHMZBOCLSA-N 1 2 292.401 -0.665 20 70 CBIDLO CCN(C(=O)C[N@@H+](C)[C@H](C)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000218148780 352235195 /nfs/dbraw/zinc/23/51/95/352235195.db2.gz GJNHKQWMGQZWQY-GHMZBOCLSA-N 1 2 292.401 -0.665 20 70 CBIDLO CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000216660600 352231519 /nfs/dbraw/zinc/23/15/19/352231519.db2.gz TZVKJLXKBYJCSL-VHSXEESVSA-N 1 2 260.359 -0.274 20 70 CBIDLO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000216660600 352231522 /nfs/dbraw/zinc/23/15/22/352231522.db2.gz TZVKJLXKBYJCSL-VHSXEESVSA-N 1 2 260.359 -0.274 20 70 CBIDLO NC(=O)[C@H]1C[N@H+](CC[S@@](=O)c2ccccc2)CCO1 ZINC000216904757 352232433 /nfs/dbraw/zinc/23/24/33/352232433.db2.gz SLRUPYQSSUPYQT-CWTRNNRKSA-N 1 2 282.365 -0.020 20 70 CBIDLO NC(=O)[C@H]1C[N@@H+](CC[S@@](=O)c2ccccc2)CCO1 ZINC000216904757 352232437 /nfs/dbraw/zinc/23/24/37/352232437.db2.gz SLRUPYQSSUPYQT-CWTRNNRKSA-N 1 2 282.365 -0.020 20 70 CBIDLO C[N@@H+](Cc1nc(N)nc(N)n1)C[C@@H]1CCC[C@@H]1O ZINC000159622206 351964656 /nfs/dbraw/zinc/96/46/56/351964656.db2.gz IPHVPCYCHYYVOR-YUMQZZPRSA-N 1 2 252.322 -0.371 20 70 CBIDLO C[N@H+](Cc1nc(N)nc(N)n1)C[C@@H]1CCC[C@@H]1O ZINC000159622206 351964662 /nfs/dbraw/zinc/96/46/62/351964662.db2.gz IPHVPCYCHYYVOR-YUMQZZPRSA-N 1 2 252.322 -0.371 20 70 CBIDLO COCC(=O)N1CC[NH+](CCn2ccnc2)CC1 ZINC000159751488 351965448 /nfs/dbraw/zinc/96/54/48/351965448.db2.gz RRFCDINLVQWOES-UHFFFAOYSA-N 1 2 252.318 -0.326 20 70 CBIDLO COCC(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000159751488 351965453 /nfs/dbraw/zinc/96/54/53/351965453.db2.gz RRFCDINLVQWOES-UHFFFAOYSA-N 1 2 252.318 -0.326 20 70 CBIDLO CCC[C@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159715116 351965923 /nfs/dbraw/zinc/96/59/23/351965923.db2.gz PXCYZMYLXMRDGS-GARJFASQSA-N 1 2 284.360 -0.635 20 70 CBIDLO CCC[C@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159715116 351965927 /nfs/dbraw/zinc/96/59/27/351965927.db2.gz PXCYZMYLXMRDGS-GARJFASQSA-N 1 2 284.360 -0.635 20 70 CBIDLO CCS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160396357 351970002 /nfs/dbraw/zinc/97/00/02/351970002.db2.gz MKIVOXAQBPBVET-SNVBAGLBSA-N 1 2 250.364 -0.106 20 70 CBIDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160735396 351970969 /nfs/dbraw/zinc/97/09/69/351970969.db2.gz CWKHAOSFCMANEU-NSHDSACASA-N 1 2 292.387 -0.400 20 70 CBIDLO Cn1cnnc1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000160712105 351971482 /nfs/dbraw/zinc/97/14/82/351971482.db2.gz RRVOSALWVYGLDS-UHFFFAOYSA-N 1 2 278.360 -0.789 20 70 CBIDLO CCCN(C)S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000160882070 351972944 /nfs/dbraw/zinc/97/29/44/351972944.db2.gz FOAKLSHHYGLCAI-UHFFFAOYSA-N 1 2 279.406 -0.115 20 70 CBIDLO Cc1cc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)[nH]n1 ZINC000159687084 372817705 /nfs/dbraw/zinc/81/77/05/372817705.db2.gz FPMJZGBENAOFRC-QWRGUYRKSA-N 1 2 250.302 -0.127 20 70 CBIDLO Cc1cc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)[nH]n1 ZINC000159687084 372817710 /nfs/dbraw/zinc/81/77/10/372817710.db2.gz FPMJZGBENAOFRC-QWRGUYRKSA-N 1 2 250.302 -0.127 20 70 CBIDLO CC(C)[C@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159690871 280320453 /nfs/dbraw/zinc/32/04/53/280320453.db2.gz ARZSYYSAPCPHQL-AXFHLTTASA-N 1 2 284.360 -0.779 20 70 CBIDLO CC(C)[C@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159690871 280320454 /nfs/dbraw/zinc/32/04/54/280320454.db2.gz ARZSYYSAPCPHQL-AXFHLTTASA-N 1 2 284.360 -0.779 20 70 CBIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 ZINC000159672768 351965942 /nfs/dbraw/zinc/96/59/42/351965942.db2.gz KZJLFZWXSZULLT-CMPLNLGQSA-N 1 2 293.323 -0.449 20 70 CBIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 ZINC000159672768 351965947 /nfs/dbraw/zinc/96/59/47/351965947.db2.gz KZJLFZWXSZULLT-CMPLNLGQSA-N 1 2 293.323 -0.449 20 70 CBIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccn(C)c1 ZINC000159806533 351967045 /nfs/dbraw/zinc/96/70/45/351967045.db2.gz BUDVPAFZQZSNIU-NSHDSACASA-N 1 2 265.313 -0.111 20 70 CBIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccn(C)c1 ZINC000159806533 351967051 /nfs/dbraw/zinc/96/70/51/351967051.db2.gz BUDVPAFZQZSNIU-NSHDSACASA-N 1 2 265.313 -0.111 20 70 CBIDLO C[C@H](CNS(=O)(=O)c1c[nH]cn1)C[NH+]1CCOCC1 ZINC000160364750 351970206 /nfs/dbraw/zinc/97/02/06/351970206.db2.gz OFMACOGHADJSNE-SNVBAGLBSA-N 1 2 288.373 -0.344 20 70 CBIDLO CCOCCS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160362197 351970263 /nfs/dbraw/zinc/97/02/63/351970263.db2.gz ZDIPNUGXGYVOPJ-GFCCVEGCSA-N 1 2 294.417 -0.089 20 70 CBIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@@H]21 ZINC000159691293 283007224 /nfs/dbraw/zinc/00/72/24/283007224.db2.gz LDBHINUTYVMFTA-GRYCIOLGSA-N 1 2 296.371 -0.682 20 70 CBIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C[C@@H]21 ZINC000159691293 283007225 /nfs/dbraw/zinc/00/72/25/283007225.db2.gz LDBHINUTYVMFTA-GRYCIOLGSA-N 1 2 296.371 -0.682 20 70 CBIDLO CC(C)[C@@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159691005 372816403 /nfs/dbraw/zinc/81/64/03/372816403.db2.gz ARZSYYSAPCPHQL-HBNTYKKESA-N 1 2 284.360 -0.779 20 70 CBIDLO CC(C)[C@@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159691005 372816408 /nfs/dbraw/zinc/81/64/08/372816408.db2.gz ARZSYYSAPCPHQL-HBNTYKKESA-N 1 2 284.360 -0.779 20 70 CBIDLO COC(=O)[C@@H](O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000217722235 372868471 /nfs/dbraw/zinc/86/84/71/372868471.db2.gz GYNWDPZBOVXWSL-JTQLQIEISA-N 1 2 277.280 -0.473 20 70 CBIDLO CC1(C)[C@H](NC(=O)CN2CC[NH2+]CC2=O)[C@H]2CCO[C@@H]21 ZINC000159549096 207390437 /nfs/dbraw/zinc/39/04/37/207390437.db2.gz VZPVXEKEHRLDHD-WQAKAFBOSA-N 1 2 281.356 -0.652 20 70 CBIDLO CCCC(=O)NCC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000159736407 207391124 /nfs/dbraw/zinc/39/11/24/207391124.db2.gz HLYJCECOLBQQBW-GHMZBOCLSA-N 1 2 269.345 -0.556 20 70 CBIDLO CCCC(=O)NCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000159736407 207391129 /nfs/dbraw/zinc/39/11/29/207391129.db2.gz HLYJCECOLBQQBW-GHMZBOCLSA-N 1 2 269.345 -0.556 20 70 CBIDLO CC[N@H+](CC(=O)NCCC(=O)OC)Cc1cnn(C)c1 ZINC000161096381 328129333 /nfs/dbraw/zinc/12/93/33/328129333.db2.gz VLAKPOYMAVTWJQ-UHFFFAOYSA-N 1 2 282.344 -0.079 20 70 CBIDLO CC[N@@H+](CC(=O)NCCC(=O)OC)Cc1cnn(C)c1 ZINC000161096381 328129335 /nfs/dbraw/zinc/12/93/35/328129335.db2.gz VLAKPOYMAVTWJQ-UHFFFAOYSA-N 1 2 282.344 -0.079 20 70 CBIDLO COC[C@@H](C)S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160404283 351970046 /nfs/dbraw/zinc/97/00/46/351970046.db2.gz YGMPRMRTLVEFNE-VXGBXAGGSA-N 1 2 294.417 -0.091 20 70 CBIDLO Cn1cc(N2CCC[C@@H]([N@@H+]3CCNC(=O)CC3)C2=O)cn1 ZINC000160475386 351970552 /nfs/dbraw/zinc/97/05/52/351970552.db2.gz PKBMMQSOFOOFEP-GFCCVEGCSA-N 1 2 291.355 -0.263 20 70 CBIDLO Cn1cc(N2CCC[C@@H]([N@H+]3CCNC(=O)CC3)C2=O)cn1 ZINC000160475386 351970555 /nfs/dbraw/zinc/97/05/55/351970555.db2.gz PKBMMQSOFOOFEP-GFCCVEGCSA-N 1 2 291.355 -0.263 20 70 CBIDLO O=C(CO)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000160956276 351972336 /nfs/dbraw/zinc/97/23/36/351972336.db2.gz JAVKXOGZCWJQGZ-UHFFFAOYSA-N 1 2 262.313 -0.005 20 70 CBIDLO C[C@H](C(=O)NC(N)=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161189338 351974094 /nfs/dbraw/zinc/97/40/94/351974094.db2.gz YLHSIICDAQRRKK-LLVKDONJSA-N 1 2 291.355 -0.217 20 70 CBIDLO C[C@H](C(=O)NC(N)=O)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161189338 351974096 /nfs/dbraw/zinc/97/40/96/351974096.db2.gz YLHSIICDAQRRKK-LLVKDONJSA-N 1 2 291.355 -0.217 20 70 CBIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]21 ZINC000159724145 207389675 /nfs/dbraw/zinc/38/96/75/207389675.db2.gz ORUCTYALHBBGRA-QWRGUYRKSA-N 1 2 283.372 -0.310 20 70 CBIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]21 ZINC000159724145 207389680 /nfs/dbraw/zinc/38/96/80/207389680.db2.gz ORUCTYALHBBGRA-QWRGUYRKSA-N 1 2 283.372 -0.310 20 70 CBIDLO CC(C)C[C@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159668069 279191844 /nfs/dbraw/zinc/19/18/44/279191844.db2.gz NNHXKKIPRZCUMH-SDDRHHMPSA-N 1 2 298.387 -0.389 20 70 CBIDLO CC(C)C[C@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159668069 279191847 /nfs/dbraw/zinc/19/18/47/279191847.db2.gz NNHXKKIPRZCUMH-SDDRHHMPSA-N 1 2 298.387 -0.389 20 70 CBIDLO COc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1N ZINC000161402130 329933115 /nfs/dbraw/zinc/93/31/15/329933115.db2.gz AORWUNBXSQLGQY-UHFFFAOYSA-N 1 2 278.312 -0.352 20 70 CBIDLO Cc1conc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000160314678 351968688 /nfs/dbraw/zinc/96/86/88/351968688.db2.gz SQSDVZCFCARIQI-UHFFFAOYSA-N 1 2 252.274 -0.304 20 70 CBIDLO COCCS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160394653 351970082 /nfs/dbraw/zinc/97/00/82/351970082.db2.gz HDFJJUGFRKNMDF-LLVKDONJSA-N 1 2 280.390 -0.480 20 70 CBIDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(N)(=O)=O ZINC000160355163 351970219 /nfs/dbraw/zinc/97/02/19/351970219.db2.gz DBFFUAWZOXVFNK-UHFFFAOYSA-N 1 2 298.412 -0.056 20 70 CBIDLO Cc1cnn(CCNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000161132532 351973958 /nfs/dbraw/zinc/97/39/58/351973958.db2.gz ZIIYRTFOPPTMAS-STQMWFEESA-N 1 2 293.371 -0.084 20 70 CBIDLO Cc1cnn(CCNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000161132532 351973961 /nfs/dbraw/zinc/97/39/61/351973961.db2.gz ZIIYRTFOPPTMAS-STQMWFEESA-N 1 2 293.371 -0.084 20 70 CBIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]21 ZINC000159724003 207391441 /nfs/dbraw/zinc/39/14/41/207391441.db2.gz ORUCTYALHBBGRA-MNOVXSKESA-N 1 2 283.372 -0.310 20 70 CBIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]21 ZINC000159724003 207391446 /nfs/dbraw/zinc/39/14/46/207391446.db2.gz ORUCTYALHBBGRA-MNOVXSKESA-N 1 2 283.372 -0.310 20 70 CBIDLO COCC[NH+]1CCN(C(=O)c2ccc(OC)nn2)CC1 ZINC000160040242 351968050 /nfs/dbraw/zinc/96/80/50/351968050.db2.gz UENXYXAFWQNTBP-UHFFFAOYSA-N 1 2 280.328 -0.111 20 70 CBIDLO CN1CC[N@H+](C)[C@@H](CNc2ccc(C(N)=O)nn2)C1 ZINC000218053165 352234198 /nfs/dbraw/zinc/23/41/98/352234198.db2.gz LULLHKMMBAQFOM-VIFPVBQESA-N 1 2 264.333 -0.767 20 70 CBIDLO CN1CC[N@@H+](C)[C@@H](CNc2ccc(C(N)=O)nn2)C1 ZINC000218053165 352234201 /nfs/dbraw/zinc/23/42/01/352234201.db2.gz LULLHKMMBAQFOM-VIFPVBQESA-N 1 2 264.333 -0.767 20 70 CBIDLO Nc1nc(N)nc(CSCC[NH+]2CCOCC2)n1 ZINC000159756784 188440436 /nfs/dbraw/zinc/44/04/36/188440436.db2.gz JQBUEUFTCMQQNO-UHFFFAOYSA-N 1 2 270.362 -0.399 20 70 CBIDLO COC(=O)[C@H](O)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000217722327 372869107 /nfs/dbraw/zinc/86/91/07/372869107.db2.gz GYNWDPZBOVXWSL-SNVBAGLBSA-N 1 2 277.280 -0.473 20 70 CBIDLO Cn1cc(N2CC[C@@H]([N@@H+]3CCC4(C3)OCCO4)C2=O)cn1 ZINC000160694592 294251842 /nfs/dbraw/zinc/25/18/42/294251842.db2.gz QGANOPUEJJZXSX-GFCCVEGCSA-N 1 2 292.339 -0.026 20 70 CBIDLO Cn1cc(N2CC[C@@H]([N@H+]3CCC4(C3)OCCO4)C2=O)cn1 ZINC000160694592 294251850 /nfs/dbraw/zinc/25/18/50/294251850.db2.gz QGANOPUEJJZXSX-GFCCVEGCSA-N 1 2 292.339 -0.026 20 70 CBIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCC(=O)OC ZINC000161118032 328132871 /nfs/dbraw/zinc/13/28/71/328132871.db2.gz ZNNXAQVCTWNLBW-JTQLQIEISA-N 1 2 282.344 -0.080 20 70 CBIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCC(=O)OC ZINC000161118032 328132873 /nfs/dbraw/zinc/13/28/73/328132873.db2.gz ZNNXAQVCTWNLBW-JTQLQIEISA-N 1 2 282.344 -0.080 20 70 CBIDLO Cc1cnn(CCNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000161132222 328135974 /nfs/dbraw/zinc/13/59/74/328135974.db2.gz ZIIYRTFOPPTMAS-CHWSQXEVSA-N 1 2 293.371 -0.084 20 70 CBIDLO Cc1cnn(CCNC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000161132222 328135976 /nfs/dbraw/zinc/13/59/76/328135976.db2.gz ZIIYRTFOPPTMAS-CHWSQXEVSA-N 1 2 293.371 -0.084 20 70 CBIDLO C[C@@H](CNS(=O)(=O)c1c[nH]cn1)C[NH+]1CCOCC1 ZINC000160364594 327606542 /nfs/dbraw/zinc/60/65/42/327606542.db2.gz OFMACOGHADJSNE-JTQLQIEISA-N 1 2 288.373 -0.344 20 70 CBIDLO Cn1cnnc1SCC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159670664 351964617 /nfs/dbraw/zinc/96/46/17/351964617.db2.gz RYCIHEPDGZCQSO-VHSXEESVSA-N 1 2 297.384 -0.551 20 70 CBIDLO Cn1cnnc1SCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159670664 351964620 /nfs/dbraw/zinc/96/46/20/351964620.db2.gz RYCIHEPDGZCQSO-VHSXEESVSA-N 1 2 297.384 -0.551 20 70 CBIDLO COC[C@H](C)S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160404029 351970097 /nfs/dbraw/zinc/97/00/97/351970097.db2.gz YGMPRMRTLVEFNE-NEPJUHHUSA-N 1 2 294.417 -0.091 20 70 CBIDLO Cn1cnnc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000160703446 351971151 /nfs/dbraw/zinc/97/11/51/351971151.db2.gz SZJPLVXBSCZPDV-UHFFFAOYSA-N 1 2 292.387 -0.445 20 70 CBIDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160735517 351973038 /nfs/dbraw/zinc/97/30/38/351973038.db2.gz CWKHAOSFCMANEU-LLVKDONJSA-N 1 2 292.387 -0.400 20 70 CBIDLO Cn1cc(N2CC[C@H]([N@@H+]3CCC4(C3)OCCO4)C2=O)cn1 ZINC000160694457 294253915 /nfs/dbraw/zinc/25/39/15/294253915.db2.gz QGANOPUEJJZXSX-LBPRGKRZSA-N 1 2 292.339 -0.026 20 70 CBIDLO Cn1cc(N2CC[C@H]([N@H+]3CCC4(C3)OCCO4)C2=O)cn1 ZINC000160694457 294253918 /nfs/dbraw/zinc/25/39/18/294253918.db2.gz QGANOPUEJJZXSX-LBPRGKRZSA-N 1 2 292.339 -0.026 20 70 CBIDLO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000159420584 327184225 /nfs/dbraw/zinc/18/42/25/327184225.db2.gz FDWCUDPFYAIMOO-OUAUKWLOSA-N 1 2 292.401 -0.667 20 70 CBIDLO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000159420584 327184227 /nfs/dbraw/zinc/18/42/27/327184227.db2.gz FDWCUDPFYAIMOO-OUAUKWLOSA-N 1 2 292.401 -0.667 20 70 CBIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 ZINC000159672631 351965846 /nfs/dbraw/zinc/96/58/46/351965846.db2.gz KZJLFZWXSZULLT-JQWIXIFHSA-N 1 2 293.323 -0.449 20 70 CBIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 ZINC000159672631 351965848 /nfs/dbraw/zinc/96/58/48/351965848.db2.gz KZJLFZWXSZULLT-JQWIXIFHSA-N 1 2 293.323 -0.449 20 70 CBIDLO COCCCS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160372815 351969906 /nfs/dbraw/zinc/96/99/06/351969906.db2.gz BOBJNHZBKQQYLR-LBPRGKRZSA-N 1 2 294.417 -0.089 20 70 CBIDLO COC[C@H](C)S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160403903 351970234 /nfs/dbraw/zinc/97/02/34/351970234.db2.gz YGMPRMRTLVEFNE-RYUDHWBXSA-N 1 2 294.417 -0.091 20 70 CBIDLO Cc1cnn(CCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000161132400 351974100 /nfs/dbraw/zinc/97/41/00/351974100.db2.gz ZIIYRTFOPPTMAS-OLZOCXBDSA-N 1 2 293.371 -0.084 20 70 CBIDLO Cc1cnn(CCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000161132400 351974102 /nfs/dbraw/zinc/97/41/02/351974102.db2.gz ZIIYRTFOPPTMAS-OLZOCXBDSA-N 1 2 293.371 -0.084 20 70 CBIDLO CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000216660572 352231396 /nfs/dbraw/zinc/23/13/96/352231396.db2.gz TZVKJLXKBYJCSL-UWVGGRQHSA-N 1 2 260.359 -0.274 20 70 CBIDLO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000216660572 352231402 /nfs/dbraw/zinc/23/14/02/352231402.db2.gz TZVKJLXKBYJCSL-UWVGGRQHSA-N 1 2 260.359 -0.274 20 70 CBIDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160756093 327994856 /nfs/dbraw/zinc/99/48/56/327994856.db2.gz MHAHYXYXURUSKQ-GFCCVEGCSA-N 1 2 294.403 -0.153 20 70 CBIDLO COC(=O)[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000217685354 582127950 /nfs/dbraw/zinc/12/79/50/582127950.db2.gz OBRCRJJZAPAKOJ-JTQLQIEISA-N 1 2 290.279 -0.469 20 70 CBIDLO O=C(NC1CC1)C(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000159751909 351965427 /nfs/dbraw/zinc/96/54/27/351965427.db2.gz YAYRCJNIQHUTTC-UHFFFAOYSA-N 1 2 291.355 -0.694 20 70 CBIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]21 ZINC000159723878 351965626 /nfs/dbraw/zinc/96/56/26/351965626.db2.gz ORUCTYALHBBGRA-WDEREUQCSA-N 1 2 283.372 -0.310 20 70 CBIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]21 ZINC000159723878 351965628 /nfs/dbraw/zinc/96/56/28/351965628.db2.gz ORUCTYALHBBGRA-WDEREUQCSA-N 1 2 283.372 -0.310 20 70 CBIDLO Cc1cnn(CCNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000161132287 351973662 /nfs/dbraw/zinc/97/36/62/351973662.db2.gz ZIIYRTFOPPTMAS-QWHCGFSZSA-N 1 2 293.371 -0.084 20 70 CBIDLO Cc1cnn(CCNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000161132287 351973669 /nfs/dbraw/zinc/97/36/69/351973669.db2.gz ZIIYRTFOPPTMAS-QWHCGFSZSA-N 1 2 293.371 -0.084 20 70 CBIDLO Cn1c2[nH]c(C[N@H+](C)C3CC3)nc2c(=O)n(C)c1=O ZINC000161469913 351975240 /nfs/dbraw/zinc/97/52/40/351975240.db2.gz GIADXUPLXKAPPS-UHFFFAOYSA-N 1 2 263.301 -0.446 20 70 CBIDLO Cn1c2[nH]c(C[N@@H+](C)C3CC3)nc2c(=O)n(C)c1=O ZINC000161469913 351975242 /nfs/dbraw/zinc/97/52/42/351975242.db2.gz GIADXUPLXKAPPS-UHFFFAOYSA-N 1 2 263.301 -0.446 20 70 CBIDLO COC[C@H](C)S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160826315 207393706 /nfs/dbraw/zinc/39/37/06/207393706.db2.gz BZRCMYYFNRHPJY-NSHDSACASA-N 1 2 294.417 -0.260 20 70 CBIDLO CC(C)C[C@@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159668188 279001308 /nfs/dbraw/zinc/00/13/08/279001308.db2.gz NNHXKKIPRZCUMH-GRYCIOLGSA-N 1 2 298.387 -0.389 20 70 CBIDLO CC(C)C[C@@H](NC(N)=O)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159668188 279001309 /nfs/dbraw/zinc/00/13/09/279001309.db2.gz NNHXKKIPRZCUMH-GRYCIOLGSA-N 1 2 298.387 -0.389 20 70 CBIDLO COCCS(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160394525 327661880 /nfs/dbraw/zinc/66/18/80/327661880.db2.gz HDFJJUGFRKNMDF-NSHDSACASA-N 1 2 280.390 -0.480 20 70 CBIDLO CC(C)NC(=O)C[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160703027 327974829 /nfs/dbraw/zinc/97/48/29/327974829.db2.gz MQYHLVNQXKITKK-UHFFFAOYSA-N 1 2 280.376 -0.543 20 70 CBIDLO CCCC(=O)NCC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159736556 351965787 /nfs/dbraw/zinc/96/57/87/351965787.db2.gz HLYJCECOLBQQBW-WDEREUQCSA-N 1 2 269.345 -0.556 20 70 CBIDLO CCCC(=O)NCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159736556 351965790 /nfs/dbraw/zinc/96/57/90/351965790.db2.gz HLYJCECOLBQQBW-WDEREUQCSA-N 1 2 269.345 -0.556 20 70 CBIDLO Cc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)[nH]n1 ZINC000159686767 351966041 /nfs/dbraw/zinc/96/60/41/351966041.db2.gz FPMJZGBENAOFRC-GHMZBOCLSA-N 1 2 250.302 -0.127 20 70 CBIDLO Cc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)[nH]n1 ZINC000159686767 351966045 /nfs/dbraw/zinc/96/60/45/351966045.db2.gz FPMJZGBENAOFRC-GHMZBOCLSA-N 1 2 250.302 -0.127 20 70 CBIDLO Cn1cc[nH+]c1CN1CCCN(S(C)(=O)=O)CC1 ZINC000160746246 372816164 /nfs/dbraw/zinc/81/61/64/372816164.db2.gz RMWDZTUCYMTORF-UHFFFAOYSA-N 1 2 272.374 -0.113 20 70 CBIDLO CC(C)N1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000217288320 220235666 /nfs/dbraw/zinc/23/56/66/220235666.db2.gz ZBXNCJFYCNOZLG-LBPRGKRZSA-N 1 2 298.387 -0.373 20 70 CBIDLO CC[N@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CC1 ZINC000161396037 279243272 /nfs/dbraw/zinc/24/32/72/279243272.db2.gz BTRDNSUHMKFXCD-UHFFFAOYSA-N 1 2 277.328 -0.055 20 70 CBIDLO CC[N@@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CC1 ZINC000161396037 279243273 /nfs/dbraw/zinc/24/32/73/279243273.db2.gz BTRDNSUHMKFXCD-UHFFFAOYSA-N 1 2 277.328 -0.055 20 70 CBIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC000159722486 290091177 /nfs/dbraw/zinc/09/11/77/290091177.db2.gz GLIJUMKUWSPOOQ-NWDGAFQWSA-N 1 2 277.324 -0.610 20 70 CBIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC000159722486 290091182 /nfs/dbraw/zinc/09/11/82/290091182.db2.gz GLIJUMKUWSPOOQ-NWDGAFQWSA-N 1 2 277.324 -0.610 20 70 CBIDLO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000159420447 351963737 /nfs/dbraw/zinc/96/37/37/351963737.db2.gz FDWCUDPFYAIMOO-GARJFASQSA-N 1 2 292.401 -0.667 20 70 CBIDLO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000159420447 351963739 /nfs/dbraw/zinc/96/37/39/351963739.db2.gz FDWCUDPFYAIMOO-GARJFASQSA-N 1 2 292.401 -0.667 20 70 CBIDLO COC[C@@H](C)S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160404151 351970145 /nfs/dbraw/zinc/97/01/45/351970145.db2.gz YGMPRMRTLVEFNE-NWDGAFQWSA-N 1 2 294.417 -0.091 20 70 CBIDLO C[C@@H]1OCC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000160608003 351971426 /nfs/dbraw/zinc/97/14/26/351971426.db2.gz UICRZNKNSXFBAY-QWRGUYRKSA-N 1 2 257.334 -0.205 20 70 CBIDLO C[C@@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000160607746 351971547 /nfs/dbraw/zinc/97/15/47/351971547.db2.gz UICRZNKNSXFBAY-WDEREUQCSA-N 1 2 257.334 -0.205 20 70 CBIDLO NC(=O)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161162064 351974086 /nfs/dbraw/zinc/97/40/86/351974086.db2.gz JMSFBDIGZJDNAI-UHFFFAOYSA-N 1 2 277.328 -0.606 20 70 CBIDLO CCCC(=O)NCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159736861 207389723 /nfs/dbraw/zinc/38/97/23/207389723.db2.gz 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/nfs/dbraw/zinc/97/23/16/351972316.db2.gz MHAHYXYXURUSKQ-LBPRGKRZSA-N 1 2 294.403 -0.153 20 70 CBIDLO CCNC(=O)C[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160754546 351972417 /nfs/dbraw/zinc/97/24/17/351972417.db2.gz WOXFPOJLRHEKBL-UHFFFAOYSA-N 1 2 266.349 -0.931 20 70 CBIDLO CC(C)N1C[C@H](NC(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000217288318 220236225 /nfs/dbraw/zinc/23/62/25/220236225.db2.gz ZBXNCJFYCNOZLG-GFCCVEGCSA-N 1 2 298.387 -0.373 20 70 CBIDLO CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cnn(C)c1 ZINC000161132301 328136021 /nfs/dbraw/zinc/13/60/21/328136021.db2.gz MMSGCXAKDJEQSI-LLVKDONJSA-N 1 2 295.387 -0.165 20 70 CBIDLO CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cnn(C)c1 ZINC000161132301 328136022 /nfs/dbraw/zinc/13/60/22/328136022.db2.gz MMSGCXAKDJEQSI-LLVKDONJSA-N 1 2 295.387 -0.165 20 70 CBIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC000159722353 351965280 /nfs/dbraw/zinc/96/52/80/351965280.db2.gz GLIJUMKUWSPOOQ-RYUDHWBXSA-N 1 2 277.324 -0.610 20 70 CBIDLO C[N@H+]1CCO[C@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC000159722353 351965283 /nfs/dbraw/zinc/96/52/83/351965283.db2.gz GLIJUMKUWSPOOQ-RYUDHWBXSA-N 1 2 277.324 -0.610 20 70 CBIDLO C[C@@H](C(=O)NC(N)=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161189249 351973800 /nfs/dbraw/zinc/97/38/00/351973800.db2.gz YLHSIICDAQRRKK-NSHDSACASA-N 1 2 291.355 -0.217 20 70 CBIDLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161189249 351973807 /nfs/dbraw/zinc/97/38/07/351973807.db2.gz YLHSIICDAQRRKK-NSHDSACASA-N 1 2 291.355 -0.217 20 70 CBIDLO CCCC(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000159736705 207390292 /nfs/dbraw/zinc/39/02/92/207390292.db2.gz HLYJCECOLBQQBW-MNOVXSKESA-N 1 2 269.345 -0.556 20 70 CBIDLO CCCC(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000159736705 207390297 /nfs/dbraw/zinc/39/02/97/207390297.db2.gz HLYJCECOLBQQBW-MNOVXSKESA-N 1 2 269.345 -0.556 20 70 CBIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCC(=O)OC ZINC000161118154 328132850 /nfs/dbraw/zinc/13/28/50/328132850.db2.gz ZNNXAQVCTWNLBW-SNVBAGLBSA-N 1 2 282.344 -0.080 20 70 CBIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCC(=O)OC ZINC000161118154 328132851 /nfs/dbraw/zinc/13/28/51/328132851.db2.gz ZNNXAQVCTWNLBW-SNVBAGLBSA-N 1 2 282.344 -0.080 20 70 CBIDLO CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cnn(C)c1 ZINC000161132106 328135934 /nfs/dbraw/zinc/13/59/34/328135934.db2.gz MMSGCXAKDJEQSI-NSHDSACASA-N 1 2 295.387 -0.165 20 70 CBIDLO CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cnn(C)c1 ZINC000161132106 328135935 /nfs/dbraw/zinc/13/59/35/328135935.db2.gz MMSGCXAKDJEQSI-NSHDSACASA-N 1 2 295.387 -0.165 20 70 CBIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC1=CCCOC1 ZINC000159831867 351966804 /nfs/dbraw/zinc/96/68/04/351966804.db2.gz YZHODLDFXSQTIW-NSHDSACASA-N 1 2 268.313 -0.303 20 70 CBIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1=CCCOC1 ZINC000159831867 351966808 /nfs/dbraw/zinc/96/68/08/351966808.db2.gz YZHODLDFXSQTIW-NSHDSACASA-N 1 2 268.313 -0.303 20 70 CBIDLO Cn1cc(N2CCC[C@H]([N@@H+]3CCNC(=O)CC3)C2=O)cn1 ZINC000160475230 351970151 /nfs/dbraw/zinc/97/01/51/351970151.db2.gz PKBMMQSOFOOFEP-LBPRGKRZSA-N 1 2 291.355 -0.263 20 70 CBIDLO Cn1cc(N2CCC[C@H]([N@H+]3CCNC(=O)CC3)C2=O)cn1 ZINC000160475230 351970152 /nfs/dbraw/zinc/97/01/52/351970152.db2.gz PKBMMQSOFOOFEP-LBPRGKRZSA-N 1 2 291.355 -0.263 20 70 CBIDLO COC[C@@H](C)S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160826456 207393693 /nfs/dbraw/zinc/39/36/93/207393693.db2.gz BZRCMYYFNRHPJY-LLVKDONJSA-N 1 2 294.417 -0.260 20 70 CBIDLO CC1(C)[C@H](NC(=O)CN2CC[NH2+]CC2=O)[C@@H]2CCO[C@@H]21 ZINC000159549331 419503947 /nfs/dbraw/zinc/50/39/47/419503947.db2.gz VZPVXEKEHRLDHD-BIMULSAOSA-N 1 2 281.356 -0.652 20 70 CBIDLO C[N@@H+](Cc1nc(N)nc(N)n1)C[C@H]1CCC[C@@H]1O ZINC000159622339 351965040 /nfs/dbraw/zinc/96/50/40/351965040.db2.gz IPHVPCYCHYYVOR-SFYZADRCSA-N 1 2 252.322 -0.371 20 70 CBIDLO C[N@H+](Cc1nc(N)nc(N)n1)C[C@H]1CCC[C@@H]1O ZINC000159622339 351965041 /nfs/dbraw/zinc/96/50/41/351965041.db2.gz IPHVPCYCHYYVOR-SFYZADRCSA-N 1 2 252.322 -0.371 20 70 CBIDLO Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)[nH]n1 ZINC000159686975 351965137 /nfs/dbraw/zinc/96/51/37/351965137.db2.gz FPMJZGBENAOFRC-MNOVXSKESA-N 1 2 250.302 -0.127 20 70 CBIDLO Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)[nH]n1 ZINC000159686975 351965139 /nfs/dbraw/zinc/96/51/39/351965139.db2.gz FPMJZGBENAOFRC-MNOVXSKESA-N 1 2 250.302 -0.127 20 70 CBIDLO Cc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)[nH]n1 ZINC000159686879 351965901 /nfs/dbraw/zinc/96/59/01/351965901.db2.gz FPMJZGBENAOFRC-WDEREUQCSA-N 1 2 250.302 -0.127 20 70 CBIDLO Cc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)[nH]n1 ZINC000159686879 351965904 /nfs/dbraw/zinc/96/59/04/351965904.db2.gz FPMJZGBENAOFRC-WDEREUQCSA-N 1 2 250.302 -0.127 20 70 CBIDLO CC[N@H+](CC(=O)NC(=O)NC)Cc1cnn(C)c1 ZINC000161075023 351973218 /nfs/dbraw/zinc/97/32/18/351973218.db2.gz RDCVYMZUZXUEHG-UHFFFAOYSA-N 1 2 253.306 -0.302 20 70 CBIDLO CC[N@@H+](CC(=O)NC(=O)NC)Cc1cnn(C)c1 ZINC000161075023 351973223 /nfs/dbraw/zinc/97/32/23/351973223.db2.gz RDCVYMZUZXUEHG-UHFFFAOYSA-N 1 2 253.306 -0.302 20 70 CBIDLO