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]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc2c1OCO2 ZINC000159562429 361738287 /nfs/dbraw/zinc/73/82/87/361738287.db2.gz WLCTWUHNLXOBBX-ZYHUDNBSSA-N 1 1 276.336 1.501 20 70 CDIDMO CC[N@H+]1CCCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 ZINC000159731399 361823974 /nfs/dbraw/zinc/82/39/74/361823974.db2.gz HKZSKYADYAGMIE-CQSZACIVSA-N 1 1 293.415 1.256 20 70 CDIDMO Cc1ccc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)nc1 ZINC000160034515 362009457 /nfs/dbraw/zinc/00/94/57/362009457.db2.gz VJWLHTPDOWJLRD-MRXNPFEDSA-N 1 1 296.411 1.624 20 70 CDIDMO C[N@@H+](CCOCC(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159618855 529921182 /nfs/dbraw/zinc/92/11/82/529921182.db2.gz XRAVAPCBOJWPCY-ZJUUUORDSA-N 1 1 255.280 1.658 20 70 CDIDMO CCO[C@H](C)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159833000 363365105 /nfs/dbraw/zinc/36/51/05/363365105.db2.gz XNCTZKXJHDAHSV-CYBMUJFWSA-N 1 1 286.416 1.228 20 70 CDIDMO CCC[N@@H+](CC)CCNC(=O)NCc1ncccc1F ZINC000159962161 363520885 /nfs/dbraw/zinc/52/08/85/363520885.db2.gz RDGFLXYTAKICOD-UHFFFAOYSA-N 1 1 282.363 1.752 20 70 CDIDMO CCc1ncnc(NCC[N@@H+](C)CCOC)c1F ZINC000218002310 359035297 /nfs/dbraw/zinc/03/52/97/359035297.db2.gz IPGPFJPSTVIOFY-UHFFFAOYSA-N 1 1 256.325 1.168 20 70 CDIDMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C[C@@H](C)O ZINC000159501900 361728774 /nfs/dbraw/zinc/72/87/74/361728774.db2.gz GVGOXXKNWQEANH-BXUZGUMPSA-N 1 1 280.368 1.725 20 70 CDIDMO CCc1nc(CN(C)CCc2nccs2)n[nH]1 ZINC000159495349 364218780 /nfs/dbraw/zinc/21/87/80/364218780.db2.gz ABKBRBFPUFDQNQ-UHFFFAOYSA-N 1 1 251.359 1.498 20 70 CDIDMO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000159568158 364234648 /nfs/dbraw/zinc/23/46/48/364234648.db2.gz CJHDBROSCZXKJL-BXKDBHETSA-N 1 1 284.306 1.383 20 70 CDIDMO C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000159568158 364234653 /nfs/dbraw/zinc/23/46/53/364234653.db2.gz CJHDBROSCZXKJL-BXKDBHETSA-N 1 1 284.306 1.383 20 70 CDIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccn1 ZINC000160540376 364369491 /nfs/dbraw/zinc/36/94/91/364369491.db2.gz GPNOVPOURXAPKZ-CYBMUJFWSA-N 1 1 261.369 1.932 20 70 CDIDMO C[N@@H+]1CCN(Cc2nnnn2C2CC2)[C@H](c2ccccc2)C1 ZINC000161330515 364479455 /nfs/dbraw/zinc/47/94/55/364479455.db2.gz MFYKXDHBPALVGA-HNNXBMFYSA-N 1 1 298.394 1.497 20 70 CDIDMO C[N@H+]1CCN(Cc2nnnn2C2CC2)[C@H](c2ccccc2)C1 ZINC000161330515 364479459 /nfs/dbraw/zinc/47/94/59/364479459.db2.gz MFYKXDHBPALVGA-HNNXBMFYSA-N 1 1 298.394 1.497 20 70 CDIDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181610 364460987 /nfs/dbraw/zinc/46/09/87/364460987.db2.gz DXWXLQZQXXNTMS-IJEWVQPXSA-N 1 1 289.423 1.764 20 70 CDIDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000161181610 364460993 /nfs/dbraw/zinc/46/09/93/364460993.db2.gz DXWXLQZQXXNTMS-IJEWVQPXSA-N 1 1 289.423 1.764 20 70 CDIDMO CC[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)N1CCCC1=O ZINC000161247047 367807356 /nfs/dbraw/zinc/80/73/56/367807356.db2.gz WZGWLQRHXQJCLK-MELADBBJSA-N 1 1 295.427 1.232 20 70 CDIDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000160532183 290075838 /nfs/dbraw/zinc/07/58/38/290075838.db2.gz MROBILQPSKKZHM-ZIAGYGMSSA-N 1 1 296.411 1.315 20 70 CDIDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000160532183 290075839 /nfs/dbraw/zinc/07/58/39/290075839.db2.gz MROBILQPSKKZHM-ZIAGYGMSSA-N 1 1 296.411 1.315 20 70 CDIDMO CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160808751 521665233 /nfs/dbraw/zinc/66/52/33/521665233.db2.gz GMAIIGGBYRJARS-CQSZACIVSA-N 1 1 294.443 1.350 20 70 CDIDMO CC[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160812565 523668193 /nfs/dbraw/zinc/66/81/93/523668193.db2.gz UPQDCJFGPQQWNK-IUODEOHRSA-N 1 1 283.416 1.464 20 70 CDIDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)C(C)C ZINC000161000736 527969664 /nfs/dbraw/zinc/96/96/64/527969664.db2.gz MNXGSGIGERZVCK-GJZGRUSLSA-N 1 1 299.459 1.813 20 70 CDIDMO CCN1CCC([N@@H+](C)CCCCS(C)(=O)=O)CC1 ZINC000161330761 539117489 /nfs/dbraw/zinc/11/74/89/539117489.db2.gz WMSDTQBHYMMSJK-UHFFFAOYSA-N 1 1 276.446 1.227 20 70 CDIDMO C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000160640458 346184349 /nfs/dbraw/zinc/18/43/49/346184349.db2.gz IBVMNXRMQAOROE-TZMCWYRMSA-N 1 1 265.401 1.912 20 70 CDIDMO Cc1cccc([C@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)n1 ZINC000159724600 363233143 /nfs/dbraw/zinc/23/31/43/363233143.db2.gz DCKPJDDUJNSHSD-CYBMUJFWSA-N 1 1 288.351 1.079 20 70 CDIDMO Cc1cccc(C(=O)NCC[N@H+](C)C2CC2)c1F ZINC000161491905 188531235 /nfs/dbraw/zinc/53/12/35/188531235.db2.gz VDPGBBSWGJHVJM-UHFFFAOYSA-N 1 1 250.317 1.958 20 70 CDIDMO Cn1cc(N2CCC[C@@H]([N@H+](C)C[C@@H]3CCCO3)C2=O)cn1 ZINC000160277530 361240802 /nfs/dbraw/zinc/24/08/02/361240802.db2.gz HSDSTQHBTZXFJV-UONOGXRCSA-N 1 1 292.383 1.026 20 70 CDIDMO Cn1cc(N2CCC[C@@H]([N@@H+](C)C[C@@H]3CCCO3)C2=O)cn1 ZINC000160277530 361240807 /nfs/dbraw/zinc/24/08/07/361240807.db2.gz HSDSTQHBTZXFJV-UONOGXRCSA-N 1 1 292.383 1.026 20 70 CDIDMO O=C(NCc1nc(C(F)(F)F)cs1)[C@@H]1CSC[NH2+]1 ZINC000161001813 361615008 /nfs/dbraw/zinc/61/50/08/361615008.db2.gz WVOKCUOMCXBHLE-YFKPBYRVSA-N 1 1 297.327 1.441 20 70 CDIDMO Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)C[C@@H](C)O)C2=O)c1 ZINC000159370635 361672513 /nfs/dbraw/zinc/67/25/13/361672513.db2.gz NIMSPGIIUAXEEQ-TZMCWYRMSA-N 1 1 294.370 1.942 20 70 CDIDMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159427348 364204090 /nfs/dbraw/zinc/20/40/90/364204090.db2.gz XMYUVJJVABKBIQ-NEPJUHHUSA-N 1 1 280.368 1.725 20 70 CDIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000159450067 364207558 /nfs/dbraw/zinc/20/75/58/364207558.db2.gz AJPQLUBWPUWTEZ-NEPJUHHUSA-N 1 1 287.363 1.874 20 70 CDIDMO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000159525057 364226763 /nfs/dbraw/zinc/22/67/63/364226763.db2.gz PDWUYYWJRGKTNT-DLBZAZTESA-N 1 1 276.424 1.864 20 70 CDIDMO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000159525057 364226770 /nfs/dbraw/zinc/22/67/70/364226770.db2.gz PDWUYYWJRGKTNT-DLBZAZTESA-N 1 1 276.424 1.864 20 70 CDIDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCO ZINC000159958840 364286689 /nfs/dbraw/zinc/28/66/89/364286689.db2.gz QAZNNEUKPPNAFN-ZFWWWQNUSA-N 1 1 291.395 1.189 20 70 CDIDMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000217615509 140165587 /nfs/dbraw/zinc/16/55/87/140165587.db2.gz ZOTVFEXBBIXCOX-MGPQQGTHSA-N 1 1 268.401 1.480 20 70 CDIDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2cccc(F)c2C1 ZINC000159762672 277062772 /nfs/dbraw/zinc/06/27/72/277062772.db2.gz FFCOMWWJWJFRMO-CYBMUJFWSA-N 1 1 291.370 1.988 20 70 CDIDMO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000160794517 292794842 /nfs/dbraw/zinc/79/48/42/292794842.db2.gz JPYFPWLHARRAJG-OFQRWUPVSA-N 1 1 282.428 1.896 20 70 CDIDMO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n(C)n1 ZINC000160541055 525143347 /nfs/dbraw/zinc/14/33/47/525143347.db2.gz RSPPGRJWDPLSCW-STQMWFEESA-N 1 1 276.384 1.932 20 70 CDIDMO c1cn(CC2CCN(CCC[NH+]3CCCCC3)CC2)nn1 ZINC000161451709 526529695 /nfs/dbraw/zinc/52/96/95/526529695.db2.gz HIJLBZLLRXFZFS-UHFFFAOYSA-N 1 1 291.443 1.866 20 70 CDIDMO c1cn(CC2CC[NH+](CCCN3CCCCC3)CC2)nn1 ZINC000161451709 526529703 /nfs/dbraw/zinc/52/97/03/526529703.db2.gz HIJLBZLLRXFZFS-UHFFFAOYSA-N 1 1 291.443 1.866 20 70 CDIDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccs3)C[C@@H]21 ZINC000216847435 344828541 /nfs/dbraw/zinc/82/85/41/344828541.db2.gz KTYAMXMTLSIMQA-PWSUYJOCSA-N 1 1 265.382 1.594 20 70 CDIDMO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1=O ZINC000160853596 362521111 /nfs/dbraw/zinc/52/11/11/362521111.db2.gz BXDUSONAKDESKA-LLVKDONJSA-N 1 1 284.718 1.716 20 70 CDIDMO CC1(O)CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000161195953 362568709 /nfs/dbraw/zinc/56/87/09/362568709.db2.gz ZDJNRUKVUSKLGU-UHFFFAOYSA-N 1 1 280.343 1.289 20 70 CDIDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(C(N)=S)cc1 ZINC000218168872 366055574 /nfs/dbraw/zinc/05/55/74/366055574.db2.gz WFJGNIAXHSYMIP-UHFFFAOYSA-N 1 1 293.436 1.783 20 70 CDIDMO CCC[N@H+]1CCCN(C(=O)CCCCOC)CC1 ZINC000160375772 358602710 /nfs/dbraw/zinc/60/27/10/358602710.db2.gz QCYKPZJRAKENGA-UHFFFAOYSA-N 1 1 256.390 1.747 20 70 CDIDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000159496249 358743069 /nfs/dbraw/zinc/74/30/69/358743069.db2.gz DRUYEGARFZXZJE-YVECIDJPSA-N 1 1 256.390 1.192 20 70 CDIDMO COCC[N@@H+](C)CCNC(=O)c1cncc(OC(C)C)c1 ZINC000161172621 358789981 /nfs/dbraw/zinc/78/99/81/358789981.db2.gz ZFMRTUFTURAYIE-UHFFFAOYSA-N 1 1 295.383 1.177 20 70 CDIDMO C[NH+]1CCN(C(=O)NCCc2ccccc2F)CC1 ZINC000217348089 358994865 /nfs/dbraw/zinc/99/48/65/358994865.db2.gz JOIIQTVDZFMMOH-UHFFFAOYSA-N 1 1 265.332 1.325 20 70 CDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCCO1 ZINC000160193256 363735150 /nfs/dbraw/zinc/73/51/50/363735150.db2.gz WMITUVSXLOUDGC-AWEZNQCLSA-N 1 1 298.427 1.372 20 70 CDIDMO C[C@H]([NH2+][C@@H](C)c1cnccn1)C(=O)NCc1ccccc1 ZINC000161192327 360797613 /nfs/dbraw/zinc/79/76/13/360797613.db2.gz IGGMDNDBQZNGNM-STQMWFEESA-N 1 1 284.363 1.832 20 70 CDIDMO CO[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160710625 360826510 /nfs/dbraw/zinc/82/65/10/360826510.db2.gz QDLDWAOKDPNYLY-IACUBPJLSA-N 1 1 281.400 1.337 20 70 CDIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000159470733 361707785 /nfs/dbraw/zinc/70/77/85/361707785.db2.gz FIADETZQZGOVNW-RYUDHWBXSA-N 1 1 250.342 1.004 20 70 CDIDMO NC(=O)[C@@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000160337497 363823794 /nfs/dbraw/zinc/82/37/94/363823794.db2.gz PNVVSZVIEOUYPE-ZDUSSCGKSA-N 1 1 258.321 1.412 20 70 CDIDMO NC(=O)[C@@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000160337497 363823795 /nfs/dbraw/zinc/82/37/95/363823795.db2.gz PNVVSZVIEOUYPE-ZDUSSCGKSA-N 1 1 258.321 1.412 20 70 CDIDMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccco1 ZINC000159779326 364264092 /nfs/dbraw/zinc/26/40/92/364264092.db2.gz ICTSTEDLCYRRKC-DOMZBBRYSA-N 1 1 295.383 1.439 20 70 CDIDMO COC(C[NH+]1CCN(c2nc3ccccc3o2)CC1)OC ZINC000160944722 364431911 /nfs/dbraw/zinc/43/19/11/364431911.db2.gz MZKVJYGMVXPUKE-UHFFFAOYSA-N 1 1 291.351 1.569 20 70 CDIDMO C[N@H+]1CCN(CCN2CCCC2=O)[C@H](c2ccccc2)C1 ZINC000161332461 364478719 /nfs/dbraw/zinc/47/87/19/364478719.db2.gz YEBPDJLUXLVYAJ-INIZCTEOSA-N 1 1 287.407 1.598 20 70 CDIDMO Cc1noc([C@H]2COCCN2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000160888168 376375157 /nfs/dbraw/zinc/37/51/57/376375157.db2.gz ZJHCJXGXAAQFKP-QWHCGFSZSA-N 1 1 280.372 1.236 20 70 CDIDMO Cn1cnnc1CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000161330124 377579407 /nfs/dbraw/zinc/57/94/07/377579407.db2.gz UXIIHJXLTCUXIL-CQSZACIVSA-N 1 1 271.368 1.304 20 70 CDIDMO Cn1cnnc1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000161330124 377579411 /nfs/dbraw/zinc/57/94/11/377579411.db2.gz UXIIHJXLTCUXIL-CQSZACIVSA-N 1 1 271.368 1.304 20 70 CDIDMO C[C@@H](CNCc1ccc2c(c1)NC(=O)CO2)[N@H+](C)C1CC1 ZINC000217557004 392962204 /nfs/dbraw/zinc/96/22/04/392962204.db2.gz VZUMOLDCQRMHEB-NSHDSACASA-N 1 1 289.379 1.590 20 70 CDIDMO C[C@@H](CNCc1ccc2c(c1)NC(=O)CO2)[N@@H+](C)C1CC1 ZINC000217557004 392962212 /nfs/dbraw/zinc/96/22/12/392962212.db2.gz VZUMOLDCQRMHEB-NSHDSACASA-N 1 1 289.379 1.590 20 70 CDIDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000159390581 274266525 /nfs/dbraw/zinc/26/65/25/274266525.db2.gz RNWGWMUFNNRTSW-YNEHKIRRSA-N 1 1 276.380 1.665 20 70 CDIDMO CC(=O)NCC1CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000217726558 534359671 /nfs/dbraw/zinc/35/96/71/534359671.db2.gz HHLUIHOBEOACSP-LLVKDONJSA-N 1 1 284.400 1.565 20 70 CDIDMO C[C@H]1CC[N@@H+](CCN(C)Cc2ccc(F)cc2)C[C@@H]1O ZINC000161399719 524286830 /nfs/dbraw/zinc/28/68/30/524286830.db2.gz VAFKTWHKRVALFR-BBRMVZONSA-N 1 1 280.387 1.960 20 70 CDIDMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC(O)C1 ZINC000161473593 526537913 /nfs/dbraw/zinc/53/79/13/526537913.db2.gz HWMFWSGPLGXESM-ZDUSSCGKSA-N 1 1 292.354 1.241 20 70 CDIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc2c1OCO2 ZINC000159562567 361738362 /nfs/dbraw/zinc/73/83/62/361738362.db2.gz WLCTWUHNLXOBBX-CMPLNLGQSA-N 1 1 276.336 1.501 20 70 CDIDMO 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267.760 1.725 20 70 CDIDMO CC[C@@H](C(=O)Nc1nnc(-c2ccccn2)s1)[NH+](C)C ZINC000160198098 364316444 /nfs/dbraw/zinc/31/64/44/364316444.db2.gz DTXCTXRGMWUKTN-JTQLQIEISA-N 1 1 291.380 1.879 20 70 CDIDMO CC(=O)N(C)c1cccc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000161386214 364486552 /nfs/dbraw/zinc/48/65/52/364486552.db2.gz RLCMGMXHPDNKMU-LBPRGKRZSA-N 1 1 279.365 1.270 20 70 CDIDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@@H](O)c1ccccc1 ZINC000161410227 364490076 /nfs/dbraw/zinc/49/00/76/364490076.db2.gz WMSQWAYPWVIRDC-LZWOXQAQSA-N 1 1 290.407 1.957 20 70 CDIDMO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1nc2c(s1)CCC2 ZINC000161429068 377620532 /nfs/dbraw/zinc/62/05/32/377620532.db2.gz UCBKUAKMCPHRLA-PSASIEDQSA-N 1 1 265.382 1.513 20 70 CDIDMO Cc1[nH]c(=O)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000161511048 377697799 /nfs/dbraw/zinc/69/77/99/377697799.db2.gz QDOWYDAKRWLUFH-NSHDSACASA-N 1 1 263.341 1.167 20 70 CDIDMO CCOc1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)ncn1 ZINC000160386054 279947076 /nfs/dbraw/zinc/94/70/76/279947076.db2.gz RZDISIFYRKPKRG-CYBMUJFWSA-N 1 1 292.383 1.176 20 70 CDIDMO CC(C)n1ccc(C[NH+]2CCC(OCCO)CC2)n1 ZINC000160435262 519999389 /nfs/dbraw/zinc/99/93/89/519999389.db2.gz BWCUARTVYUCCHT-UHFFFAOYSA-N 1 1 267.373 1.437 20 70 CDIDMO C[NH2+][C@H]1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000160626812 522501832 /nfs/dbraw/zinc/50/18/32/522501832.db2.gz SRQCUUGSUXQFPV-BBRMVZONSA-N 1 1 287.407 1.254 20 70 CDIDMO CCCC[N@H+](C)CCNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000159812347 361870190 /nfs/dbraw/zinc/87/01/90/361870190.db2.gz SXULHQLCYVODRU-OAHLLOKOSA-N 1 1 298.475 1.700 20 70 CDIDMO CCCC[N@@H+](C)CCNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000159812347 361870192 /nfs/dbraw/zinc/87/01/92/361870192.db2.gz SXULHQLCYVODRU-OAHLLOKOSA-N 1 1 298.475 1.700 20 70 CDIDMO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1O ZINC000159404531 362319286 /nfs/dbraw/zinc/31/92/86/362319286.db2.gz DLLPWEDALHWFKG-GWCFXTLKSA-N 1 1 282.771 1.981 20 70 CDIDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1O ZINC000159404531 362319290 /nfs/dbraw/zinc/31/92/90/362319290.db2.gz DLLPWEDALHWFKG-GWCFXTLKSA-N 1 1 282.771 1.981 20 70 CDIDMO Cc1cccc([C@@H]2CCC[N@H+]2CCN2C(=O)CNC2=O)n1 ZINC000159724466 363232197 /nfs/dbraw/zinc/23/21/97/363232197.db2.gz DCKPJDDUJNSHSD-ZDUSSCGKSA-N 1 1 288.351 1.079 20 70 CDIDMO Cc1cccc(N2CCN(C(=O)c3ccccn3)CC2)[nH+]1 ZINC000159445274 364208110 /nfs/dbraw/zinc/20/81/10/364208110.db2.gz AVQHUQUTYBMIES-UHFFFAOYSA-N 1 1 282.347 1.747 20 70 CDIDMO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000159363042 364191665 /nfs/dbraw/zinc/19/16/65/364191665.db2.gz BKARMKKWVBQQKY-NSHDSACASA-N 1 1 272.352 1.729 20 70 CDIDMO C[C@@H](CCO)NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000159591449 364238419 /nfs/dbraw/zinc/23/84/19/364238419.db2.gz CBHUMMHBHVZACZ-KBPBESRZSA-N 1 1 293.411 1.577 20 70 CDIDMO CC[N@H+]1CCCN(C(=O)NCc2ccc(C)nc2)CC1 ZINC000159645935 364245949 /nfs/dbraw/zinc/24/59/49/364245949.db2.gz BZQIZSFAFVBDFO-UHFFFAOYSA-N 1 1 276.384 1.627 20 70 CDIDMO CC[N@H+]1CCCN(C(=O)NCCOc2ccccc2)CC1 ZINC000159527253 364228977 /nfs/dbraw/zinc/22/89/77/364228977.db2.gz TVLNDQCQEMWOIM-UHFFFAOYSA-N 1 1 291.395 1.803 20 70 CDIDMO CNC(=O)c1ccc(CSCC[NH+]2CCOCC2)cc1 ZINC000159889706 364277084 /nfs/dbraw/zinc/27/70/84/364277084.db2.gz UVOZZBXIXSMUKG-UHFFFAOYSA-N 1 1 294.420 1.612 20 70 CDIDMO COC(=O)c1ccc(C[N@H+](C)[C@H]2CCOC2)nc1 ZINC000159914057 364280599 /nfs/dbraw/zinc/28/05/99/364280599.db2.gz ABZZIGYMMLTHEZ-LBPRGKRZSA-N 1 1 250.298 1.089 20 70 CDIDMO COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCOC2)nc1 ZINC000159914057 364280603 /nfs/dbraw/zinc/28/06/03/364280603.db2.gz ABZZIGYMMLTHEZ-LBPRGKRZSA-N 1 1 250.298 1.089 20 70 CDIDMO NC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161036201 364441541 /nfs/dbraw/zinc/44/15/41/364441541.db2.gz KAIFDAYUAFISRU-CYBMUJFWSA-N 1 1 285.351 1.821 20 70 CDIDMO Cc1ccc([C@H](C)CNC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000161167965 364457896 /nfs/dbraw/zinc/45/78/96/364457896.db2.gz RCSPSAFEEGLBIN-YPMHNXCESA-N 1 1 264.394 1.877 20 70 CDIDMO Cc1ccc([C@@H](C)CNC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000161168062 364458026 /nfs/dbraw/zinc/45/80/26/364458026.db2.gz RCSPSAFEEGLBIN-WCQYABFASA-N 1 1 264.394 1.877 20 70 CDIDMO OC[C@@H]1CCCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000217571265 365064717 /nfs/dbraw/zinc/06/47/17/365064717.db2.gz NJXCWBIQVHFFKZ-JKSUJKDBSA-N 1 1 279.380 1.411 20 70 CDIDMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000160320796 276167223 /nfs/dbraw/zinc/16/72/23/276167223.db2.gz MKCURJCXDDCPHL-CHWSQXEVSA-N 1 1 276.384 1.046 20 70 CDIDMO CCC[C@@H](C(=O)NCCC[NH+]1CCOCC1)C(C)C ZINC000161364292 292804516 /nfs/dbraw/zinc/80/45/16/292804516.db2.gz YGLOJXMUADGNHW-CQSZACIVSA-N 1 1 270.417 1.897 20 70 CDIDMO CCOCCC1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC000160644886 521689059 /nfs/dbraw/zinc/68/90/59/521689059.db2.gz CSBMXPVLUSOGLN-CYBMUJFWSA-N 1 1 284.400 1.030 20 70 CDIDMO CCOCCC1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000160644886 521689063 /nfs/dbraw/zinc/68/90/63/521689063.db2.gz CSBMXPVLUSOGLN-CYBMUJFWSA-N 1 1 284.400 1.030 20 70 CDIDMO CC[C@](C)(O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000161073067 523494882 /nfs/dbraw/zinc/49/48/82/523494882.db2.gz SMLFKQILTCNJQI-CABCVRRESA-N 1 1 270.417 1.192 20 70 CDIDMO Cc1c(/C=C/C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cnn1C ZINC000161456125 525515327 /nfs/dbraw/zinc/51/53/27/525515327.db2.gz KGCDYOUCODQPOJ-LQYUOIDQSA-N 1 1 288.395 1.438 20 70 CDIDMO CC[N@H+]1CCCN(C(=O)NCCOCC(F)(F)F)CC1 ZINC000159589683 529025101 /nfs/dbraw/zinc/02/51/01/529025101.db2.gz YXNWFAARYFGFLN-UHFFFAOYSA-N 1 1 297.321 1.303 20 70 CDIDMO CC(C)[C@@H](O)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000159716763 361808785 /nfs/dbraw/zinc/80/87/85/361808785.db2.gz PMKJIGRONFKVMT-AWEZNQCLSA-N 1 1 264.369 1.252 20 70 CDIDMO CC(C)[C@@H](O)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000159716763 361808790 /nfs/dbraw/zinc/80/87/90/361808790.db2.gz PMKJIGRONFKVMT-AWEZNQCLSA-N 1 1 264.369 1.252 20 70 CDIDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CCO)cn1 ZINC000159744163 539114706 /nfs/dbraw/zinc/11/47/06/539114706.db2.gz PYLZDXGPOFVYDG-CQSZACIVSA-N 1 1 263.385 1.885 20 70 CDIDMO CC[N@H+]1CCCN(C(=O)NCCc2ccc(C)nc2)CC1 ZINC000159847647 539114781 /nfs/dbraw/zinc/11/47/81/539114781.db2.gz CFYBSTLVAORVCD-UHFFFAOYSA-N 1 1 290.411 1.670 20 70 CDIDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000160213952 362057338 /nfs/dbraw/zinc/05/73/38/362057338.db2.gz NJWJWDYFHZJSTK-HNNXBMFYSA-N 1 1 282.428 1.897 20 70 CDIDMO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cncc(F)c1 ZINC000160598422 362455629 /nfs/dbraw/zinc/45/56/29/362455629.db2.gz FMUTXXASBBXGJV-SSDOTTSWSA-N 1 1 279.237 1.550 20 70 CDIDMO C[N@H+]1CCC[C@H]1C(=O)N1CCc2c(F)cccc2C1 ZINC000161059189 360499188 /nfs/dbraw/zinc/49/91/88/360499188.db2.gz HGIXFNMRRYLHKE-AWEZNQCLSA-N 1 1 262.328 1.805 20 70 CDIDMO Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2O)no1 ZINC000161081116 360815508 /nfs/dbraw/zinc/81/55/08/360815508.db2.gz PLMXQVCSVTUCJO-QWRGUYRKSA-N 1 1 267.329 1.157 20 70 CDIDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000160321972 363815465 /nfs/dbraw/zinc/81/54/65/363815465.db2.gz UMNAMGGCEWAQLG-ZDUSSCGKSA-N 1 1 270.336 1.526 20 70 CDIDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000160321972 363815470 /nfs/dbraw/zinc/81/54/70/363815470.db2.gz UMNAMGGCEWAQLG-ZDUSSCGKSA-N 1 1 270.336 1.526 20 70 CDIDMO CCN(C)[C@H](C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000159420617 364203463 /nfs/dbraw/zinc/20/34/63/364203463.db2.gz SMSMNGIOKIODLX-AWEZNQCLSA-N 1 1 261.369 1.111 20 70 CDIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2cccnc2)CC1 ZINC000159547986 364231673 /nfs/dbraw/zinc/23/16/73/364231673.db2.gz AUSQFNANKASJQV-CYBMUJFWSA-N 1 1 276.384 1.880 20 70 CDIDMO C[N@H+](CC(=O)Nc1cccc(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159630211 364242603 /nfs/dbraw/zinc/24/26/03/364242603.db2.gz UUDCKYWVDRLUMC-FZMZJTMJSA-N 1 1 280.343 1.857 20 70 CDIDMO c1cn(CC[NH+]2CCN(CCc3ccccc3)CC2)cn1 ZINC000159707816 364254920 /nfs/dbraw/zinc/25/49/20/364254920.db2.gz UFQRABKPIYZUAV-UHFFFAOYSA-N 1 1 284.407 1.743 20 70 CDIDMO CC(C)[C@@H](CCO)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000160652220 364399371 /nfs/dbraw/zinc/39/93/71/364399371.db2.gz JDGAWKUFFAHNJZ-OAHLLOKOSA-N 1 1 278.396 1.642 20 70 CDIDMO CC(C)[C@@H](CCO)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000160652220 364399376 /nfs/dbraw/zinc/39/93/76/364399376.db2.gz JDGAWKUFFAHNJZ-OAHLLOKOSA-N 1 1 278.396 1.642 20 70 CDIDMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)cc(C)c1F ZINC000161366470 364484282 /nfs/dbraw/zinc/48/42/82/364484282.db2.gz GGHYDTIRYMOTBO-UHFFFAOYSA-N 1 1 294.370 1.895 20 70 CDIDMO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)N)cc1OC ZINC000218298335 413045483 /nfs/dbraw/zinc/04/54/83/413045483.db2.gz QQELWYUNYAOKOO-GHMZBOCLSA-N 1 1 252.358 1.572 20 70 CDIDMO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H](O)C1 ZINC000218680539 140164701 /nfs/dbraw/zinc/16/47/01/140164701.db2.gz RAUDMEZOISVRES-WCQYABFASA-N 1 1 280.343 1.287 20 70 CDIDMO CCOC(=O)COc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000218008612 140165222 /nfs/dbraw/zinc/16/52/22/140165222.db2.gz JFCQMCNJAUBTQN-UHFFFAOYSA-N 1 1 280.324 1.129 20 70 CDIDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc2[nH]cnc21 ZINC000159461670 539114141 /nfs/dbraw/zinc/11/41/41/539114141.db2.gz UMBXNDWFXFYJNN-GFCCVEGCSA-N 1 1 284.363 1.777 20 70 CDIDMO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc2nc[nH]c21 ZINC000159461670 539114142 /nfs/dbraw/zinc/11/41/42/539114142.db2.gz UMBXNDWFXFYJNN-GFCCVEGCSA-N 1 1 284.363 1.777 20 70 CDIDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc2nc[nH]c21 ZINC000159461670 539114143 /nfs/dbraw/zinc/11/41/43/539114143.db2.gz UMBXNDWFXFYJNN-GFCCVEGCSA-N 1 1 284.363 1.777 20 70 CDIDMO CC1(O)CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000161196844 362575572 /nfs/dbraw/zinc/57/55/72/362575572.db2.gz GBTYXAJLIVBEMO-UHFFFAOYSA-N 1 1 274.364 1.423 20 70 CDIDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000159388036 358459226 /nfs/dbraw/zinc/45/92/26/358459226.db2.gz PBXJUHTXOKADAX-YVECIDJPSA-N 1 1 256.390 1.477 20 70 CDIDMO O=C(CC[N@@H+]1CCCC[C@@H]1CO)NC1CCCC1 ZINC000159859820 363381718 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CC[C@@H](O)CCNC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000161006593 529222012 /nfs/dbraw/zinc/22/20/12/529222012.db2.gz HMFDHRFJURCZKS-LSDHHAIUSA-N 1 1 299.459 1.957 20 70 CDIDMO CO[C@H](C)c1noc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000159736415 361819400 /nfs/dbraw/zinc/81/94/00/361819400.db2.gz ZAKPWJGJPNWVOA-VWYCJHECSA-N 1 1 269.345 1.370 20 70 CDIDMO CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000159736415 361819410 /nfs/dbraw/zinc/81/94/10/361819410.db2.gz ZAKPWJGJPNWVOA-VWYCJHECSA-N 1 1 269.345 1.370 20 70 CDIDMO Cc1c(F)cccc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000160285608 539115694 /nfs/dbraw/zinc/11/56/94/539115694.db2.gz NQTGFYFXEKERLL-SMDDNHRTSA-N 1 1 295.358 1.975 20 70 CDIDMO Cc1c(F)cccc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000160285608 539115695 /nfs/dbraw/zinc/11/56/95/539115695.db2.gz NQTGFYFXEKERLL-SMDDNHRTSA-N 1 1 295.358 1.975 20 70 CDIDMO CC(C)[NH2+]CCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000159503417 342365926 /nfs/dbraw/zinc/36/59/26/342365926.db2.gz 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CS(=O)(=O)CCCNc1cc[nH+]cc1Br ZINC000159823201 361873787 /nfs/dbraw/zinc/87/37/87/361873787.db2.gz LNHNTLAWZVMEMY-UHFFFAOYSA-N 1 1 293.186 1.691 20 70 CDIDMO CC[N@H+]1CCCN(C(=O)NC[C@@H](C)C(=O)OC(C)C)CC1 ZINC000159924288 361946501 /nfs/dbraw/zinc/94/65/01/361946501.db2.gz KZSOVEWAODQPHN-CYBMUJFWSA-N 1 1 299.415 1.311 20 70 CDIDMO CN(Cc1cccn1C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000161108264 539117275 /nfs/dbraw/zinc/11/72/75/539117275.db2.gz KLZCHSFHESBHHU-CQSZACIVSA-N 1 1 290.411 1.651 20 70 CDIDMO CCCNC(=O)CNc1cc[nH+]cc1Br ZINC000159820012 362373163 /nfs/dbraw/zinc/37/31/63/362373163.db2.gz OWMMTQGAXAEDMY-UHFFFAOYSA-N 1 1 272.146 1.782 20 70 CDIDMO COc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)C[C@H](C)O ZINC000160948526 362566404 /nfs/dbraw/zinc/56/64/04/362566404.db2.gz GYGGJQWYZUCJJI-SMDDNHRTSA-N 1 1 294.395 1.608 20 70 CDIDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)CCO ZINC000160440812 346137364 /nfs/dbraw/zinc/13/73/64/346137364.db2.gz GUOMNSCZIPUMQR-QWHCGFSZSA-N 1 1 271.405 1.321 20 70 CDIDMO CN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160653857 346188526 /nfs/dbraw/zinc/18/85/26/346188526.db2.gz ZNAVCXYEHWDSEF-OAHLLOKOSA-N 1 1 288.395 1.707 20 70 CDIDMO CS[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000159808412 363329568 /nfs/dbraw/zinc/32/95/68/363329568.db2.gz JLEPRCIHMJGSPG-GHMZBOCLSA-N 1 1 259.419 1.379 20 70 CDIDMO C[N@H+](CC(=O)Nc1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000159460975 364210544 /nfs/dbraw/zinc/21/05/44/364210544.db2.gz GLGVJNFGZOFWAO-OCCSQVGLSA-N 1 1 262.353 1.718 20 70 CDIDMO CC[C@H](C)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159575199 364236562 /nfs/dbraw/zinc/23/65/62/364236562.db2.gz CPEQUFFELZTCOX-ZDUSSCGKSA-N 1 1 270.417 1.849 20 70 CDIDMO CC[N@H+]1CCCN(C(=O)NCc2cc(C)no2)CC1 ZINC000159780997 364264224 /nfs/dbraw/zinc/26/42/24/364264224.db2.gz DAIIGAHLEXFSCE-UHFFFAOYSA-N 1 1 266.345 1.220 20 70 CDIDMO CCC[N@@H+](CCO)Cc1ccc(OC)c(OC)c1OC ZINC000161206943 364464094 /nfs/dbraw/zinc/46/40/94/364464094.db2.gz KHNKIXMKQPDFRT-UHFFFAOYSA-N 1 1 283.368 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C[N@H+](CC(=O)Nc1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000159460819 364211125 /nfs/dbraw/zinc/21/11/25/364211125.db2.gz GLGVJNFGZOFWAO-JSGCOSHPSA-N 1 1 262.353 1.718 20 70 CDIDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccncc1 ZINC000160901679 364424289 /nfs/dbraw/zinc/42/42/89/364424289.db2.gz IIOKWRYRSDEZQN-UHFFFAOYSA-N 1 1 287.367 1.818 20 70 CDIDMO CCC[N@H+](CC(=O)NC)Cc1c(C)nc2ccccn21 ZINC000160431421 541922407 /nfs/dbraw/zinc/92/24/07/541922407.db2.gz QPIKSSAIHJCBMZ-UHFFFAOYSA-N 1 1 274.368 1.601 20 70 CDIDMO CCC[N@@H+](CC(=O)NC)Cc1c(C)nc2ccccn21 ZINC000160431421 541922411 /nfs/dbraw/zinc/92/24/11/541922411.db2.gz QPIKSSAIHJCBMZ-UHFFFAOYSA-N 1 1 274.368 1.601 20 70 CDIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000159531793 287082042 /nfs/dbraw/zinc/08/20/42/287082042.db2.gz OWCBBRFIJVUBHO-QBHFIFKDSA-N 1 1 256.390 1.382 20 70 CDIDMO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000217612426 414132501 /nfs/dbraw/zinc/13/25/01/414132501.db2.gz QNRCCMVRAOMKGK-RWMBFGLXSA-N 1 1 254.374 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262.378 1.495 20 70 CDIDMO CCCC[N@@H+](C)CCNC(=O)NC[C@@](C)(O)CSC ZINC000159810248 361870866 /nfs/dbraw/zinc/87/08/66/361870866.db2.gz LNBSELQNSZHVTE-CYBMUJFWSA-N 1 1 291.461 1.132 20 70 CDIDMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159822312 361874267 /nfs/dbraw/zinc/87/42/67/361874267.db2.gz LKSXUAJWTMDADB-ZDUSSCGKSA-N 1 1 290.367 1.373 20 70 CDIDMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159822312 361874269 /nfs/dbraw/zinc/87/42/69/361874269.db2.gz LKSXUAJWTMDADB-ZDUSSCGKSA-N 1 1 290.367 1.373 20 70 CDIDMO C[C@@H](NC(=O)NCC1(C2CC2)CCC1)[C@H]1C[N@H+](C)CCO1 ZINC000160797156 539116801 /nfs/dbraw/zinc/11/68/01/539116801.db2.gz ANWDIEXRZNCKBP-TZMCWYRMSA-N 1 1 295.427 1.585 20 70 CDIDMO C[C@@H](NC(=O)NCC1(C2CC2)CCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000160797156 539116802 /nfs/dbraw/zinc/11/68/02/539116802.db2.gz ANWDIEXRZNCKBP-TZMCWYRMSA-N 1 1 295.427 1.585 20 70 CDIDMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160845464 539116949 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C[C@]1(c2ccccc2)CN(C(=O)[C@@H]2CSC[NH2+]2)CCO1 ZINC000159644609 362479504 /nfs/dbraw/zinc/47/95/04/362479504.db2.gz YYJDMSCADYGIIB-DZGCQCFKSA-N 1 1 292.404 1.423 20 70 CDIDMO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161219716 362709099 /nfs/dbraw/zinc/70/90/99/362709099.db2.gz RNHSQBDCHDZUIZ-CYBMUJFWSA-N 1 1 288.391 1.811 20 70 CDIDMO Cn1ccnc1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000160797387 346605485 /nfs/dbraw/zinc/60/54/85/346605485.db2.gz PGONDTXJGSKPCK-CYBMUJFWSA-N 1 1 276.384 1.158 20 70 CDIDMO Cn1ccnc1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000160797387 346605492 /nfs/dbraw/zinc/60/54/92/346605492.db2.gz PGONDTXJGSKPCK-CYBMUJFWSA-N 1 1 276.384 1.158 20 70 CDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(C)(C)C ZINC000159576732 362929795 /nfs/dbraw/zinc/92/97/95/362929795.db2.gz PYUSBKURPOJTFX-UHFFFAOYSA-N 1 1 270.417 1.849 20 70 CDIDMO [NH3+]C1(CNC(=O)c2n[nH]c3ccccc32)CCCCC1 ZINC000159733594 188439217 /nfs/dbraw/zinc/43/92/17/188439217.db2.gz PMNDRIUYZWOMAC-UHFFFAOYSA-N 1 1 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362520736 /nfs/dbraw/zinc/52/07/36/362520736.db2.gz SKVVMLXWTTZODH-LLVKDONJSA-N 1 1 284.718 1.716 20 70 CDIDMO COc1cccc(CNC(=O)C[NH+]2CCC(C)(O)CC2)c1 ZINC000161213070 362689684 /nfs/dbraw/zinc/68/96/84/362689684.db2.gz UNGPXQXXKIINKZ-UHFFFAOYSA-N 1 1 292.379 1.158 20 70 CDIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000159504358 188429399 /nfs/dbraw/zinc/42/93/99/188429399.db2.gz UMGGYANJDWCJDB-IUCAKERBSA-N 1 1 272.295 1.604 20 70 CDIDMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1nccs1 ZINC000159797836 364267234 /nfs/dbraw/zinc/26/72/34/364267234.db2.gz RTURMUDLMGLKOG-UWVGGRQHSA-N 1 1 253.371 1.457 20 70 CDIDMO CCc1ncnc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1F ZINC000159897294 364277774 /nfs/dbraw/zinc/27/77/74/364277774.db2.gz COLZSCOQBSGZQO-GHMZBOCLSA-N 1 1 282.363 1.069 20 70 CDIDMO CCc1ncnc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1F ZINC000159897294 364277779 /nfs/dbraw/zinc/27/77/79/364277779.db2.gz COLZSCOQBSGZQO-GHMZBOCLSA-N 1 1 282.363 1.069 20 70 CDIDMO CCC[N@@H+](CCO)Cc1ccc(OCCOC)cc1 ZINC000161230214 364467615 /nfs/dbraw/zinc/46/76/15/364467615.db2.gz ZALVDYGTRSJALI-UHFFFAOYSA-N 1 1 267.369 1.916 20 70 CDIDMO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000161306774 364476390 /nfs/dbraw/zinc/47/63/90/364476390.db2.gz SMWHAMGITCJGKI-JTQLQIEISA-N 1 1 298.818 1.878 20 70 CDIDMO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161293241 377203498 /nfs/dbraw/zinc/20/34/98/377203498.db2.gz GGEVBDZWMCOGNQ-OLZOCXBDSA-N 1 1 293.415 1.392 20 70 CDIDMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161293241 377203508 /nfs/dbraw/zinc/20/35/08/377203508.db2.gz GGEVBDZWMCOGNQ-OLZOCXBDSA-N 1 1 293.415 1.392 20 70 CDIDMO CC(=O)NCCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159513003 390940044 /nfs/dbraw/zinc/94/00/44/390940044.db2.gz ANVJWBMOGPXSKG-QGZVFWFLSA-N 1 1 288.391 1.687 20 70 CDIDMO C[N@@H+](CCNC(=O)[C@H]1CCn2ccnc2C1)C1CCCC1 ZINC000161437092 391592509 /nfs/dbraw/zinc/59/25/09/391592509.db2.gz GUSUWDOPUBTEJT-ZDUSSCGKSA-N 1 1 290.411 1.436 20 70 CDIDMO CCC[N@H+]1CCCN(C(=O)COCC2CC2)CC1 ZINC000160398129 519848773 /nfs/dbraw/zinc/84/87/73/519848773.db2.gz ZRSLQJPESNLYFG-UHFFFAOYSA-N 1 1 254.374 1.357 20 70 CDIDMO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000160939117 519786745 /nfs/dbraw/zinc/78/67/45/519786745.db2.gz YTYNOPOTHODXFS-ZDUSSCGKSA-N 1 1 299.440 1.802 20 70 CDIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000160939117 519786746 /nfs/dbraw/zinc/78/67/46/519786746.db2.gz YTYNOPOTHODXFS-ZDUSSCGKSA-N 1 1 299.440 1.802 20 70 CDIDMO CCCC[N@@H+](C)CCNC(=O)N[C@@H](CC)COC ZINC000159808341 535221525 /nfs/dbraw/zinc/22/15/25/535221525.db2.gz IFFVKHLZRZGOTE-LBPRGKRZSA-N 1 1 259.394 1.443 20 70 CDIDMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159822177 361874234 /nfs/dbraw/zinc/87/42/34/361874234.db2.gz LKSXUAJWTMDADB-CYBMUJFWSA-N 1 1 290.367 1.373 20 70 CDIDMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159822177 361874235 /nfs/dbraw/zinc/87/42/35/361874235.db2.gz LKSXUAJWTMDADB-CYBMUJFWSA-N 1 1 290.367 1.373 20 70 CDIDMO CC[N@H+]1CCCN(C(=O)NCC2(CCOC)CCC2)CC1 ZINC000159989309 361991614 /nfs/dbraw/zinc/99/16/14/361991614.db2.gz LYMWVGYCGMSSEN-UHFFFAOYSA-N 1 1 297.443 1.930 20 70 CDIDMO CCOCCC1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000159800082 539114735 /nfs/dbraw/zinc/11/47/35/539114735.db2.gz LHABZFXWEZKSNJ-AWEZNQCLSA-N 1 1 297.443 1.834 20 70 CDIDMO C[NH+](C)C1(CNC[C@@H](O)COc2ccccc2)CCCC1 ZINC000160881549 362194270 /nfs/dbraw/zinc/19/42/70/362194270.db2.gz XTDHKPLXEFCPNQ-OAHLLOKOSA-N 1 1 292.423 1.890 20 70 CDIDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)CC[C@@H]1O ZINC000159437827 362321974 /nfs/dbraw/zinc/32/19/74/362321974.db2.gz XXYIUKRBMJXUJV-MFKMUULPSA-N 1 1 266.316 1.467 20 70 CDIDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)CC[C@@H]1O ZINC000159437827 362321978 /nfs/dbraw/zinc/32/19/78/362321978.db2.gz XXYIUKRBMJXUJV-MFKMUULPSA-N 1 1 266.316 1.467 20 70 CDIDMO CC[C@@H]([NH2+]CC(=O)NCCOC)c1ccc(F)cc1F ZINC000160693919 346196190 /nfs/dbraw/zinc/19/61/90/346196190.db2.gz OXSYVYXSIHFQPF-CYBMUJFWSA-N 1 1 286.322 1.768 20 70 CDIDMO CC[C@@H](C)OCC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000159683220 363190666 /nfs/dbraw/zinc/19/06/66/363190666.db2.gz YGLYGVDAAAIXLS-CQSZACIVSA-N 1 1 286.416 1.371 20 70 CDIDMO CN(CC(=O)NCC[NH+]1CCCCCC1)[C@H]1CCSC1 ZINC000159868179 363385825 /nfs/dbraw/zinc/38/58/25/363385825.db2.gz NRLDVFGBKJQGDF-AWEZNQCLSA-N 1 1 299.484 1.416 20 70 CDIDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc2c(c1)NC(=O)CO2 ZINC000217764742 360411953 /nfs/dbraw/zinc/41/19/53/360411953.db2.gz ADYLIMDCGBBFGN-GFCCVEGCSA-N 1 1 291.395 1.837 20 70 CDIDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000217764742 360411957 /nfs/dbraw/zinc/41/19/57/360411957.db2.gz ADYLIMDCGBBFGN-GFCCVEGCSA-N 1 1 291.395 1.837 20 70 CDIDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)c1 ZINC000159529348 361730170 /nfs/dbraw/zinc/73/01/70/361730170.db2.gz MOKACTRQKNDJRC-OLZOCXBDSA-N 1 1 264.369 1.943 20 70 CDIDMO 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CC[N@@H+](C)CCNC(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000160405964 364346841 /nfs/dbraw/zinc/34/68/41/364346841.db2.gz BVKFSRQVQKQYAY-UHFFFAOYSA-N 1 1 298.774 1.050 20 70 CDIDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc2c(c1)NC(=O)CO2 ZINC000217764834 367258040 /nfs/dbraw/zinc/25/80/40/367258040.db2.gz ADYLIMDCGBBFGN-LBPRGKRZSA-N 1 1 291.395 1.837 20 70 CDIDMO CC[C@H](C)N(C)CC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000217764834 367258043 /nfs/dbraw/zinc/25/80/43/367258043.db2.gz ADYLIMDCGBBFGN-LBPRGKRZSA-N 1 1 291.395 1.837 20 70 CDIDMO O=C([C@@H]1Cc2ccccc2CN1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159615836 284533883 /nfs/dbraw/zinc/53/38/83/284533883.db2.gz GMXLVYRZQCKJBJ-XHSDSOJGSA-N 1 1 285.391 1.054 20 70 CDIDMO COc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)CSC ZINC000159724116 533017469 /nfs/dbraw/zinc/01/74/69/533017469.db2.gz PDOMVVYYXXNJJT-SKDRFNHKSA-N 1 1 268.382 1.563 20 70 CDIDMO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000161306905 390653934 /nfs/dbraw/zinc/65/39/34/390653934.db2.gz 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