smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH]c(C(=O)NCCNc2cc[nH+]cc2C)n1 ZINC000218315248 359050065 /nfs/dbraw/zinc/05/00/65/359050065.db2.gz DLXZOVFQBKMCHF-UHFFFAOYSA-N 1 0 259.313 1.263 50 70 CDIARO Cc1cc(N2CCN(C(=O)c3ccnnc3)CC2)cc(C)[nH+]1 ZINC000218228885 359046988 /nfs/dbraw/zinc/04/69/88/359046988.db2.gz WLIKIGFXKCJFAI-UHFFFAOYSA-N 1 0 297.362 1.451 50 70 CDIARO C[N+]1(CCN=C=NC2CCCCC2)CCOCC1 ZINC000006844452 560206450 /nfs/dbraw/zinc/20/64/50/560206450.db2.gz SETJXCABXAYTRL-UHFFFAOYSA-N 1 0 252.382 1.970 50 70 in-vitro CDIARO OCCOc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@H]2O ZINC000217054107 358976487 /nfs/dbraw/zinc/97/64/87/358976487.db2.gz LRNXQUZDOPGTTC-FOLVSLTJSA-N 1 0 277.364 1.260 50 70 CDIARO CN(C)c1ccc(CC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000218186949 359045436 /nfs/dbraw/zinc/04/54/36/359045436.db2.gz YADGTBJVAYZJTE-ZDUSSCGKSA-N 1 0 261.369 1.163 50 70 CDIARO CCn1ncnc1CN1C[C@H]2CC[C@@H](C1)[C@H]2[NH+](C)C ZINC000217118255 358981493 /nfs/dbraw/zinc/98/14/93/358981493.db2.gz WMYSQWYMHCUAHC-IMRBUKKESA-N 1 0 263.389 1.070 50 70 CDIARO Cc1c[nH]c(CN(C)C(=O)c2ccc(C[NH3+])cc2)n1 ZINC000218273462 359048296 /nfs/dbraw/zinc/04/82/96/359048296.db2.gz CVFNJLSUECMULY-UHFFFAOYSA-N 1 0 258.325 1.449 50 70 CDIARO C/C=C(\C)C[N@@H+]1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000216907449 358968550 /nfs/dbraw/zinc/96/85/50/358968550.db2.gz PPWOCPDIYYXMTQ-JIJVXSHRSA-N 1 0 265.357 1.081 50 70 CDIARO CCc1cc(CNC(=O)CC[C@@H](C)[NH+]2CCOCC2)on1 ZINC000218745753 359064870 /nfs/dbraw/zinc/06/48/70/359064870.db2.gz BAGWXDRDRFVHIA-GFCCVEGCSA-N 1 0 295.383 1.354 50 70 CDIARO COc1ccccc1CCC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000218275287 359048145 /nfs/dbraw/zinc/04/81/45/359048145.db2.gz LOPCUYRUNGAEIX-LSDHHAIUSA-N 1 0 288.391 1.790 50 70 CDIARO c1ccc2c(c1)CC([NH+]1CCN(c3ncncn3)CC1)C2 ZINC000218335017 359050593 /nfs/dbraw/zinc/05/05/93/359050593.db2.gz DZEDMJMUNSFUAL-UHFFFAOYSA-N 1 0 281.363 1.161 50 70 CDIARO COc1ccc2[nH]c(CCNC(=O)c3ccnnc3)nc2c1 ZINC000217203862 358985026 /nfs/dbraw/zinc/98/50/26/358985026.db2.gz KERKKUMHWQFCDB-UHFFFAOYSA-N 1 0 297.318 1.334 50 70 CDIARO [NH3+][C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1scc2c1CCCC2 ZINC000218310484 283646516 /nfs/dbraw/zinc/64/65/16/283646516.db2.gz MHVIPXFLFRDSQA-YVECIDJPSA-N 1 0 292.404 1.471 50 70 CDIARO C[C@@H]([NH3+])C(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000218121524 359041681 /nfs/dbraw/zinc/04/16/81/359041681.db2.gz RPCQHQZNPFUVHR-SSDOTTSWSA-N 1 0 251.717 1.785 50 70 CDIARO Cc1cc(=O)c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c[nH]1 ZINC000217520860 359007103 /nfs/dbraw/zinc/00/71/03/359007103.db2.gz QSZRBYBIRCWXGM-GFCCVEGCSA-N 1 0 277.368 1.240 50 70 CDIARO CCO[C@H]1CN(Cc2csc(C(C)=O)c2)C[C@@H]1O ZINC000218272254 359048462 /nfs/dbraw/zinc/04/84/62/359048462.db2.gz LTGCIEUNJWSOHK-RYUDHWBXSA-N 1 0 269.366 1.532 50 70 CDIARO C[N@@H+]1CCC[C@@H]1CCN1CCN(c2cccc(O)c2)CC1 ZINC000161318576 364478102 /nfs/dbraw/zinc/47/81/02/364478102.db2.gz GBGCWCGWDHNHCR-OAHLLOKOSA-N 1 0 289.423 1.999 50 70 CDIARO CCc1ccc(C(=O)N(C)CC2CC[NH+](CCO)CC2)[nH]1 ZINC000218404398 398208314 /nfs/dbraw/zinc/20/83/14/398208314.db2.gz ZRIQXZHSQAWDDG-UHFFFAOYSA-N 1 0 293.411 1.353 50 70 CDIARO C[C@H](C1CCN(C(=O)Cc2cnc[nH]2)CC1)[NH+]1CCCC1 ZINC000217030797 358975487 /nfs/dbraw/zinc/97/54/87/358975487.db2.gz SBYAGDYIXQFSBN-CYBMUJFWSA-N 1 0 290.411 1.675 50 70 CDIARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(F)c(O)c3)C[C@H]12 ZINC000216928770 358970296 /nfs/dbraw/zinc/97/02/96/358970296.db2.gz CJEYLIRRKCYXTP-CNDDSTCGSA-N 1 0 278.327 1.411 50 70 CDIARO Cc1cccnc1NCCNc1cc(C2CC([NH3+])C2)ncn1 ZINC000218570920 359058001 /nfs/dbraw/zinc/05/80/01/359058001.db2.gz SBTIXRFIWFHHDO-UHFFFAOYSA-N 1 0 298.394 1.909 50 70 CDIARO Nc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)[nH]n1 ZINC000218203270 359046015 /nfs/dbraw/zinc/04/60/15/359046015.db2.gz SYPVRQRVUBMVMX-LLVKDONJSA-N 1 0 291.399 1.376 50 70 CDIARO Cc1cc(=O)c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c[nH]1 ZINC000217520939 359007027 /nfs/dbraw/zinc/00/70/27/359007027.db2.gz QSZRBYBIRCWXGM-LBPRGKRZSA-N 1 0 277.368 1.240 50 70 CDIARO Cc1csc(CCCNC(=O)C[NH+]2CCCC2)n1 ZINC000218239229 359046753 /nfs/dbraw/zinc/04/67/53/359046753.db2.gz OPGUHYKPCGRZSB-UHFFFAOYSA-N 1 0 267.398 1.596 50 70 CDIARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cccn1C1CC1 ZINC000218468939 359054054 /nfs/dbraw/zinc/05/40/54/359054054.db2.gz UDZLYIOHOZWOBP-FAAHXZRKSA-N 1 0 289.379 1.270 50 70 CDIARO CC[C@H](NC(=O)CCCn1cncn1)c1nc(C)c[nH]1 ZINC000217881220 359029799 /nfs/dbraw/zinc/02/97/99/359029799.db2.gz INUFDKOEHZSETJ-NSHDSACASA-N 1 0 276.344 1.357 50 70 CDIARO C[NH+](C)CCNC(=O)c1cnc2ccc(Cl)cc2c1O ZINC000218277749 359048338 /nfs/dbraw/zinc/04/83/38/359048338.db2.gz XRNROLZAINIXSY-UHFFFAOYSA-N 1 0 293.754 1.885 50 70 CDIARO Cc1nc(N)sc1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000218080375 256891534 /nfs/dbraw/zinc/89/15/34/256891534.db2.gz PZSBOTSQHAQVEJ-SECBINFHSA-N 1 0 268.386 1.296 50 70 CDIARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)C(=O)c1cccnc1 ZINC000217163269 358983178 /nfs/dbraw/zinc/98/31/78/358983178.db2.gz OPEDEBFPSNBCRF-AWEZNQCLSA-N 1 0 289.379 1.597 50 70 CDIARO CC(C)=CC[N@H+]1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000218694863 391042225 /nfs/dbraw/zinc/04/22/25/391042225.db2.gz VCBYQBJYRWGCSC-MRXNPFEDSA-N 1 0 292.427 1.650 50 70 CDIARO CCO[C@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC000218110849 359040878 /nfs/dbraw/zinc/04/08/78/359040878.db2.gz VTTNPGHXIOPICD-HOTGVXAUSA-N 1 0 287.363 1.454 50 70 CDIARO Cn1cccc1C(=O)NCCCCC[NH+]1CCOCC1 ZINC000218210714 359045558 /nfs/dbraw/zinc/04/55/58/359045558.db2.gz MSEQJVGEXHREBI-UHFFFAOYSA-N 1 0 279.384 1.257 50 70 CDIARO CCc1nccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)n1 ZINC000217672366 359018108 /nfs/dbraw/zinc/01/81/08/359018108.db2.gz YRCWMIZACVSKQM-JYAVWHMHSA-N 1 0 261.369 1.896 50 70 CDIARO Cc1n[nH]c(C)c1CNC(=O)[C@H]([NH3+])CC(C)(C)C ZINC000218047401 262345433 /nfs/dbraw/zinc/34/54/33/262345433.db2.gz HENZUUAIZVRSSQ-LLVKDONJSA-N 1 0 252.362 1.406 50 70 CDIARO Cc1nnc([C@H]2CCCN2C(=O)C[NH+]2CCCCCC2)[nH]1 ZINC000216914678 230396527 /nfs/dbraw/zinc/39/65/27/230396527.db2.gz JWZVCUYJAVSGEQ-CYBMUJFWSA-N 1 0 291.399 1.653 50 70 CDIARO C[NH+](C)CC[C@H]1CCCCN1C(=O)C(=O)c1cccnc1 ZINC000217163281 358983301 /nfs/dbraw/zinc/98/33/01/358983301.db2.gz OPEDEBFPSNBCRF-CQSZACIVSA-N 1 0 289.379 1.597 50 70 CDIARO CCn1ncnc1CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000217890177 359030205 /nfs/dbraw/zinc/03/02/05/359030205.db2.gz DMNBXKDYZHIONS-OAHLLOKOSA-N 1 0 285.395 1.787 50 70 CDIARO Cc1cc(CC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)on1 ZINC000218425748 359053733 /nfs/dbraw/zinc/05/37/33/359053733.db2.gz UIWFAEGIBJJWKC-ZDUSSCGKSA-N 1 0 291.395 1.906 50 70 CDIARO C[NH+](C)CCNC(=O)c1cnc2c(F)cccc2c1O ZINC000218138362 359043413 /nfs/dbraw/zinc/04/34/13/359043413.db2.gz HCULONQWNYLUJC-UHFFFAOYSA-N 1 0 277.299 1.371 50 70 CDIARO [NH3+]C1CC(c2cc(NCc3cn4ccccc4n3)ncn2)C1 ZINC000218616113 359059223 /nfs/dbraw/zinc/05/92/23/359059223.db2.gz SDKFFUBWLGMGMB-UHFFFAOYSA-N 1 0 294.362 1.941 50 70 CDIARO Cc1cc(C)nc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)n1 ZINC000218255151 359047569 /nfs/dbraw/zinc/04/75/69/359047569.db2.gz YFMUAQNFQDGSTB-UHFFFAOYSA-N 1 0 299.382 1.282 50 70 CDIARO O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217788098 284091421 /nfs/dbraw/zinc/09/14/21/284091421.db2.gz ZBODSPGPEBUNET-JLLWLGSASA-N 1 0 296.367 1.202 50 70 CDIARO Cc1noc(C)c1CC[N@@H+]1CCCn2nc(CO)cc2C1 ZINC000217125964 358981124 /nfs/dbraw/zinc/98/11/24/358981124.db2.gz UIBLFEUAOYYZNC-UHFFFAOYSA-N 1 0 290.367 1.429 50 70 CDIARO Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCC[C@@H](O)C1 ZINC000218513436 359056420 /nfs/dbraw/zinc/05/64/20/359056420.db2.gz YOOUGEYIVWATGP-QWHCGFSZSA-N 1 0 277.368 1.469 50 70 CDIARO Cc1cc(=O)cc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)o1 ZINC000217592218 189710893 /nfs/dbraw/zinc/71/08/93/189710893.db2.gz LFSVMJYZVOVZHA-JYAVWHMHSA-N 1 0 290.363 1.360 50 70 CDIARO CSCCC(=O)N[C@H]1CCCN(Cc2cccnc2)C1 ZINC000218480155 359055417 /nfs/dbraw/zinc/05/54/17/359055417.db2.gz ZRHXTVOQAARVCO-AWEZNQCLSA-N 1 0 293.436 1.915 50 70 CDIARO Cc1nc(N)sc1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000218080299 256891652 /nfs/dbraw/zinc/89/16/52/256891652.db2.gz PZSBOTSQHAQVEJ-VIFPVBQESA-N 1 0 268.386 1.296 50 70 CDIARO CC[N@@H+]1CC[C@@H](CN(C)Cc2cnc(C)n2C)C1 ZINC000217448260 359003175 /nfs/dbraw/zinc/00/31/75/359003175.db2.gz QTZBMZPIZGBSHS-ZDUSSCGKSA-N 1 0 250.390 1.502 50 70 CDIARO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccncc1 ZINC000217210235 358985434 /nfs/dbraw/zinc/98/54/34/358985434.db2.gz CGJFOTRXEBIZFB-KRWDZBQOSA-N 1 0 297.402 1.913 50 70 CDIARO CCc1nnc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)[nH]1 ZINC000159586094 364237910 /nfs/dbraw/zinc/23/79/10/364237910.db2.gz VLCGQTNDNJYKNU-CQSZACIVSA-N 1 0 285.395 1.856 50 70 CDIARO CC(C)(C)n1ccc(C(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000218214070 359045901 /nfs/dbraw/zinc/04/59/01/359045901.db2.gz BKPXZSHXZOLXCF-UHFFFAOYSA-N 1 0 293.411 1.430 50 70 CDIARO C[NH+](C)CCNC(=O)c1cnc2c(Cl)cccc2c1O ZINC000218320734 365465733 /nfs/dbraw/zinc/46/57/33/365465733.db2.gz QEEZBIDVKZAYFD-UHFFFAOYSA-N 1 0 293.754 1.885 50 70 CDIARO C[N@@H+]1CCN2CCN(Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]2C1 ZINC000217403685 358999458 /nfs/dbraw/zinc/99/94/58/358999458.db2.gz DNSPDOXKRUZGDJ-AWEZNQCLSA-N 1 0 291.443 1.139 50 70 CDIARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1nc3ccccc3[nH]1)C2 ZINC000217547790 359009206 /nfs/dbraw/zinc/00/92/06/359009206.db2.gz GUXCPTTZEYKUNT-JYAVWHMHSA-N 1 0 298.390 1.975 50 70 CDIARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccncc1[O-] ZINC000217919191 359031474 /nfs/dbraw/zinc/03/14/74/359031474.db2.gz BINWYKLDHQJBKC-LLVKDONJSA-N 1 0 263.341 1.201 50 70 CDIARO CN(Cc1ccccn1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000218419443 398208253 /nfs/dbraw/zinc/20/82/53/398208253.db2.gz UAMSWHCUCULPKZ-UHFFFAOYSA-N 1 0 284.367 1.295 50 70 CDIARO Nc1nc(NCCc2cscn2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000218575384 359057881 /nfs/dbraw/zinc/05/78/81/359057881.db2.gz XLMHKTWDHRHVEN-DTORHVGOSA-N 1 0 290.396 1.375 50 70 CDIARO Cc1nc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)cs1 ZINC000218706808 359062265 /nfs/dbraw/zinc/06/22/65/359062265.db2.gz SKQFQCMOWQSKQX-UHFFFAOYSA-N 1 0 290.396 1.641 50 70 CDIARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCc2cccnc2)C1 ZINC000218744003 359063801 /nfs/dbraw/zinc/06/38/01/359063801.db2.gz ZSTRFWGNIXCNPC-HNNXBMFYSA-N 1 0 275.396 1.861 50 70 CDIARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)cc(=O)[nH]1 ZINC000217168470 358983241 /nfs/dbraw/zinc/98/32/41/358983241.db2.gz XRLFGGOIYDDBFN-JYAVWHMHSA-N 1 0 289.379 1.096 50 70 CDIARO OCc1cc2n(n1)CC[N@H+](CCCc1ccco1)C2 ZINC000217587761 359012594 /nfs/dbraw/zinc/01/25/94/359012594.db2.gz FXUMQRIXFGMETQ-UHFFFAOYSA-N 1 0 261.325 1.417 50 70 CDIARO CC(C)Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)[nH]n1 ZINC000217979895 359034342 /nfs/dbraw/zinc/03/43/42/359034342.db2.gz HFNIDBVHPDGEFI-JYAVWHMHSA-N 1 0 263.385 1.811 50 70 CDIARO COc1cc(OC)nc(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000159776974 363291648 /nfs/dbraw/zinc/29/16/48/363291648.db2.gz MZPZVKVIYZXUID-LLVKDONJSA-N 1 0 280.372 1.636 50 70 CDIARO c1ccc(-c2ncc3c(n2)CN(C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)cc1 ZINC000216925860 358970269 /nfs/dbraw/zinc/97/02/69/358970269.db2.gz UFTPZNNDZTWKMN-ZSHCYNCHSA-N 1 0 292.386 1.925 50 70 CDIARO CCc1ccc(CN2CCCn3nc(CO)cc3C2)o1 ZINC000217470109 359003880 /nfs/dbraw/zinc/00/38/80/359003880.db2.gz SUJHWOIZIIEEIW-UHFFFAOYSA-N 1 0 275.352 1.937 50 70 CDIARO O=C(Cc1ccsc1)NC[C@H]1CCCCC[NH2+]1 ZINC000218782510 359065577 /nfs/dbraw/zinc/06/55/77/359065577.db2.gz JVXQONPLXREOHD-GFCCVEGCSA-N 1 0 252.383 1.939 50 70 CDIARO O=C(C[NH+]1CCCCCCC1)NCCn1cccn1 ZINC000217207917 358984846 /nfs/dbraw/zinc/98/48/46/358984846.db2.gz AORBBBVSFQZDPK-UHFFFAOYSA-N 1 0 264.373 1.265 50 70 CDIARO O=C1CC[C@@H]2C[NH2+]CC[C@@H]2N1Cc1cccc(F)c1 ZINC000160002977 362387046 /nfs/dbraw/zinc/38/70/46/362387046.db2.gz SQNMZFJQDRIHOE-OCCSQVGLSA-N 1 0 262.328 1.926 50 70 CDIARO O=C(C[NH+]1CCCCCC1)N1CCC(n2cnnc2)CC1 ZINC000217837857 359028530 /nfs/dbraw/zinc/02/85/30/359028530.db2.gz ZIMPFJCBANQGHT-UHFFFAOYSA-N 1 0 291.399 1.318 50 70 CDIARO COc1ccccc1OC(C)(C)C(=O)NCc1ncc[nH]1 ZINC000217414378 359000319 /nfs/dbraw/zinc/00/03/19/359000319.db2.gz WUFVCAQBXQIFJN-UHFFFAOYSA-N 1 0 289.335 1.892 50 70 CDIARO O=C(Cc1ccsc1)NC[C@@H]1CCCCC[NH2+]1 ZINC000218782424 359065673 /nfs/dbraw/zinc/06/56/73/359065673.db2.gz JVXQONPLXREOHD-LBPRGKRZSA-N 1 0 252.383 1.939 50 70 CDIARO OCc1cc2n(n1)CCCN(CC[NH+]1CCCCCC1)C2 ZINC000217089620 296559063 /nfs/dbraw/zinc/55/90/63/296559063.db2.gz HFABFNBWDBAOFW-UHFFFAOYSA-N 1 0 292.427 1.457 50 70 CDIARO c1nc(CN(Cc2cocn2)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)co1 ZINC000217157173 358982194 /nfs/dbraw/zinc/98/21/94/358982194.db2.gz NPLIFQKLUFJBGJ-WDNDVIMCSA-N 1 0 274.324 1.130 50 70 CDIARO Cc1nn(C)c(C)c1C[N@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000217651855 359016273 /nfs/dbraw/zinc/01/62/73/359016273.db2.gz GYEPMTLHRROTEM-KGLIPLIRSA-N 1 0 251.374 1.772 50 70 CDIARO CC(C)[C@@H]([NH3+])C(=O)NCc1cc(-c2ccccc2)n[nH]1 ZINC000218001803 359035135 /nfs/dbraw/zinc/03/51/35/359035135.db2.gz DTTJQYBFRPWWSK-CQSZACIVSA-N 1 0 272.352 1.676 50 70 CDIARO C[NH+]1CCN([C@H]2CCN(C(=O)c3ccsc3)C2)CC1 ZINC000217703463 277111664 /nfs/dbraw/zinc/11/16/64/277111664.db2.gz UKQZMOOYAGZRST-ZDUSSCGKSA-N 1 0 279.409 1.210 50 70 CDIARO Cc1ccn(CCC(=O)NCCC23CCC[NH+]2CCC3)n1 ZINC000218575095 302257838 /nfs/dbraw/zinc/25/78/38/302257838.db2.gz CALBNNZAXWPTSV-UHFFFAOYSA-N 1 0 290.411 1.716 50 70 CDIARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cnccn1 ZINC000218101553 359040331 /nfs/dbraw/zinc/04/03/31/359040331.db2.gz FEZOWGYUCMNIAV-CQSZACIVSA-N 1 0 276.384 1.700 50 70 CDIARO O=C(C[NH+]1CCCCCCC1)NCc1ncc[nH]1 ZINC000217364601 358996395 /nfs/dbraw/zinc/99/63/95/358996395.db2.gz LFLHBNFANCDTER-UHFFFAOYSA-N 1 0 250.346 1.292 50 70 CDIARO COc1c(F)cc(C(=O)N[C@@H]2CC[NH2+]C2)cc1F ZINC000218517017 359056295 /nfs/dbraw/zinc/05/62/95/359056295.db2.gz SUOCPIRKZBGITA-MRVPVSSYSA-N 1 0 256.252 1.065 50 70 CDIARO 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Cc1ccccc1[C@H](O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000159844133 364273175 /nfs/dbraw/zinc/27/31/75/364273175.db2.gz QVJMFZNEIHZUTF-OLZOCXBDSA-N 1 0 250.342 1.128 50 70 CDIARO C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC000216994464 358973768 /nfs/dbraw/zinc/97/37/68/358973768.db2.gz WVGVPFAWZXBNIV-ZDUSSCGKSA-N 1 0 275.352 1.226 50 70 CDIARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(Cl)s2)C1 ZINC000218514365 359056510 /nfs/dbraw/zinc/05/65/10/359056510.db2.gz IFBHCLSGPUWBAB-BDAKNGLRSA-N 1 0 288.800 1.539 50 70 CDIARO Nc1ncccc1CNC(=O)CCC[NH+]1CCCC1 ZINC000218724749 359063332 /nfs/dbraw/zinc/06/33/32/359063332.db2.gz TZVFJSDXQDSAJK-UHFFFAOYSA-N 1 0 262.357 1.156 50 70 CDIARO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CCc1scnc1C ZINC000218730930 359063415 /nfs/dbraw/zinc/06/34/15/359063415.db2.gz STBRHXWZMKTZTF-CABZTGNLSA-N 1 0 269.414 1.826 50 70 CDIARO CSc1ccccc1C(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1 ZINC000218613999 359059116 /nfs/dbraw/zinc/05/91/16/359059116.db2.gz WZROWJDJNCJZMT-MNOVXSKESA-N 1 0 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CN(Cc1ccon1)C(=O)C[NH+]1CCCCCCC1 ZINC000217797424 189712103 /nfs/dbraw/zinc/71/21/03/189712103.db2.gz SSABXGNPKPTHOC-UHFFFAOYSA-N 1 0 265.357 1.899 50 70 CDIARO O=C(c1cc[nH]n1)N1CCCN(Cc2ccncc2)CC1 ZINC000216970254 358972274 /nfs/dbraw/zinc/97/22/74/358972274.db2.gz MACRLHIBLCUSOE-UHFFFAOYSA-N 1 0 285.351 1.153 50 70 CDIARO CCc1ccccc1N1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000217469937 359004032 /nfs/dbraw/zinc/00/40/32/359004032.db2.gz AFIFRQNVSOHLHX-FVQHAEBGSA-N 1 0 285.435 1.836 50 70 CDIARO C[NH+](C)CCCNC(=O)c1cnc2ccc(F)cc2c1O ZINC000218342019 359050160 /nfs/dbraw/zinc/05/01/60/359050160.db2.gz LPHXPEJCZOEULC-UHFFFAOYSA-N 1 0 291.326 1.761 50 70 CDIARO COc1c(F)cc(C(=O)N[C@H]2CC[NH2+]C2)cc1F ZINC000218517089 359056209 /nfs/dbraw/zinc/05/62/09/359056209.db2.gz SUOCPIRKZBGITA-QMMMGPOBSA-N 1 0 256.252 1.065 50 70 CDIARO CN(CC(=O)N[C@H]1C[C@@H]2OCC[C@H]12)Cc1ccccc1F ZINC000218306422 359049415 /nfs/dbraw/zinc/04/94/15/359049415.db2.gz ZNMMWGURJZHPAW-SNPRPXQTSA-N 1 0 292.354 1.551 50 70 CDIARO CC[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cnccn1 ZINC000218101634 359039831 /nfs/dbraw/zinc/03/98/31/359039831.db2.gz FEZOWGYUCMNIAV-AWEZNQCLSA-N 1 0 276.384 1.700 50 70 CDIARO CC(C)[NH2+][C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 ZINC000218531230 359057288 /nfs/dbraw/zinc/05/72/88/359057288.db2.gz VSRLQGGYIDDDRA-HUUCEWRRSA-N 1 0 265.353 1.713 50 70 CDIARO