smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160399402 519897357 /nfs/dbraw/zinc/89/73/57/519897357.db2.gz CCEUSHRETUXZSE-SHARSMKWSA-N 1 2 289.423 2.921 20 70 CFIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000159977939 520219208 /nfs/dbraw/zinc/21/92/08/520219208.db2.gz UFUJDLMDDLGJHM-ZDUSSCGKSA-N 1 2 283.412 2.752 20 70 CFIDLO C[C@@H](CCn1cccn1)[NH2+]c1ccc(N(C)C)cc1 ZINC000159386941 378707409 /nfs/dbraw/zinc/70/74/09/378707409.db2.gz RPWZFVVTHWZBLE-ZDUSSCGKSA-N 1 2 258.369 2.840 20 70 CFIDLO C[C@@H](CCn1cccn1)Nc1ccc([NH+](C)C)cc1 ZINC000159386941 378707414 /nfs/dbraw/zinc/70/74/14/378707414.db2.gz RPWZFVVTHWZBLE-ZDUSSCGKSA-N 1 2 258.369 2.840 20 70 CFIDLO O=C(NC1=[NH+]CCS1)C1(Cc2ccccc2)CCC1 ZINC000160892043 378807977 /nfs/dbraw/zinc/80/79/77/378807977.db2.gz LWSNMTYMIJNYOA-UHFFFAOYSA-N 1 2 274.389 2.618 20 70 CFIDLO CC(C)(C)CN(CCCO)c1cc[nH+]c(C2CC2)n1 ZINC000161294563 378838046 /nfs/dbraw/zinc/83/80/46/378838046.db2.gz GFKXREJWTWCWFC-UHFFFAOYSA-N 1 2 263.385 2.589 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2cccc(F)c2)n1 ZINC000160519572 394366356 /nfs/dbraw/zinc/36/63/56/394366356.db2.gz TVUZFSHOYQCCJZ-UHFFFAOYSA-N 1 2 275.327 2.516 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000160519572 394366357 /nfs/dbraw/zinc/36/63/57/394366357.db2.gz TVUZFSHOYQCCJZ-UHFFFAOYSA-N 1 2 275.327 2.516 20 70 CFIDLO Nc1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)[nH+]c2ccccc12 ZINC000160391721 295368931 /nfs/dbraw/zinc/36/89/31/295368931.db2.gz USGURHLWIMYUJM-BXUZGUMPSA-N 1 2 284.363 2.582 20 70 CFIDLO Fc1ccc2c(c1)OCCN2Cc1c[nH+]c2ccccn12 ZINC000160500871 322339123 /nfs/dbraw/zinc/33/91/23/322339123.db2.gz KMZGOLNFPLYIBD-UHFFFAOYSA-N 1 2 283.306 2.872 20 70 CFIDLO Cc1ccccc1-c1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000160500519 322339131 /nfs/dbraw/zinc/33/91/31/322339131.db2.gz WLJRUPOYQNFNIB-UHFFFAOYSA-N 1 2 280.371 2.594 20 70 CFIDLO Cc1ccccc1-c1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000160500519 322339133 /nfs/dbraw/zinc/33/91/33/322339133.db2.gz WLJRUPOYQNFNIB-UHFFFAOYSA-N 1 2 280.371 2.594 20 70 CFIDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc[nH]n1 ZINC000160742883 322342183 /nfs/dbraw/zinc/34/21/83/322342183.db2.gz RGOHMNJZVXGJLZ-UHFFFAOYSA-N 1 2 286.379 2.569 20 70 CFIDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc[nH]n1 ZINC000160742883 322342185 /nfs/dbraw/zinc/34/21/85/322342185.db2.gz RGOHMNJZVXGJLZ-UHFFFAOYSA-N 1 2 286.379 2.569 20 70 CFIDLO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000160810957 322343717 /nfs/dbraw/zinc/34/37/17/322343717.db2.gz IYLIYQHIIIMAPI-CYBMUJFWSA-N 1 2 276.771 2.806 20 70 CFIDLO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000160810957 322343720 /nfs/dbraw/zinc/34/37/20/322343720.db2.gz IYLIYQHIIIMAPI-CYBMUJFWSA-N 1 2 276.771 2.806 20 70 CFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)OC(C)(C)C)n1 ZINC000160021233 524850822 /nfs/dbraw/zinc/85/08/22/524850822.db2.gz LEHBUQRXUXWNTR-AWEZNQCLSA-N 1 2 276.380 2.869 20 70 CFIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)OC(C)(C)C)n1 ZINC000160021233 524850834 /nfs/dbraw/zinc/85/08/34/524850834.db2.gz LEHBUQRXUXWNTR-AWEZNQCLSA-N 1 2 276.380 2.869 20 70 CFIDLO Fc1cc(Cl)ccc1C[NH2+]Cc1nnc2ccccn21 ZINC000160669443 526302412 /nfs/dbraw/zinc/30/24/12/526302412.db2.gz UYFWQGFQGGRMDR-UHFFFAOYSA-N 1 2 290.729 2.812 20 70 CFIDLO Cc1cc(NC(=O)C[C@@H](C)c2ccncc2)cc[nH+]1 ZINC000160558295 539827965 /nfs/dbraw/zinc/82/79/65/539827965.db2.gz SPQHZLYTIVCREY-LLVKDONJSA-N 1 2 255.321 2.917 20 70 CFIDLO COc1cc(C(C)=O)ccc1SCCn1cc[nH+]c1 ZINC000160202430 378755095 /nfs/dbraw/zinc/75/50/95/378755095.db2.gz FCGJDVWJRRBWIK-UHFFFAOYSA-N 1 2 276.361 2.887 20 70 CFIDLO CC[C@H](C)OCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000159385365 378706371 /nfs/dbraw/zinc/70/63/71/378706371.db2.gz LBYCUSVZMYFNSX-LBPRGKRZSA-N 1 2 287.363 2.841 20 70 CFIDLO C[C@H](CCC(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000159745410 378727644 /nfs/dbraw/zinc/72/76/44/378727644.db2.gz TWPXINXEOIHJMI-GFCCVEGCSA-N 1 2 257.337 2.610 20 70 CFIDLO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000159726546 378727785 /nfs/dbraw/zinc/72/77/85/378727785.db2.gz FDVRCHFKPCRMTN-QWRGUYRKSA-N 1 2 284.350 2.776 20 70 CFIDLO CCCC[N@H+](Cc1ccc(CC)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160771697 378796596 /nfs/dbraw/zinc/79/65/96/378796596.db2.gz FMOCPYRTXNQVLF-CYBMUJFWSA-N 1 2 299.436 2.631 20 70 CFIDLO CCCC[N@@H+](Cc1ccc(CC)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160771697 378796604 /nfs/dbraw/zinc/79/66/04/378796604.db2.gz FMOCPYRTXNQVLF-CYBMUJFWSA-N 1 2 299.436 2.631 20 70 CFIDLO CCc1noc([C@@H](C)[N@H+](CC)Cc2ccccn2)n1 ZINC000161058214 378817501 /nfs/dbraw/zinc/81/75/01/378817501.db2.gz IGWPIBIGXBUSGR-LLVKDONJSA-N 1 2 260.341 2.610 20 70 CFIDLO CCc1noc([C@@H](C)[N@@H+](CC)Cc2ccccn2)n1 ZINC000161058214 378817504 /nfs/dbraw/zinc/81/75/04/378817504.db2.gz IGWPIBIGXBUSGR-LLVKDONJSA-N 1 2 260.341 2.610 20 70 CFIDLO C[C@H]1CCC[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000161281855 378835790 /nfs/dbraw/zinc/83/57/90/378835790.db2.gz ADZJYZGFBHAASG-QWRGUYRKSA-N 1 2 293.436 2.896 20 70 CFIDLO C[C@H]1CCC[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000161281855 378835799 /nfs/dbraw/zinc/83/57/99/378835799.db2.gz ADZJYZGFBHAASG-QWRGUYRKSA-N 1 2 293.436 2.896 20 70 CFIDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc(F)c1F ZINC000159469328 322322708 /nfs/dbraw/zinc/32/27/08/322322708.db2.gz WARAQALRVKPGON-MEBBXXQBSA-N 1 2 290.313 2.842 20 70 CFIDLO Fc1ccc2oc(CSCC[NH+]3CCOCC3)nc2c1 ZINC000160001962 322331523 /nfs/dbraw/zinc/33/15/23/322331523.db2.gz AQXRRFQFMJPNEA-UHFFFAOYSA-N 1 2 296.367 2.532 20 70 CFIDLO O=C1[C@H]([NH+]2Cc3ccccc3C2)CCCN1CC(F)(F)F ZINC000160023928 322331985 /nfs/dbraw/zinc/33/19/85/322331985.db2.gz PRPRKSNNQFOZAC-CYBMUJFWSA-N 1 2 298.308 2.556 20 70 CFIDLO Cc1[nH+]c2ccccn2c1CN(C)CC(F)(F)F ZINC000160160484 322333806 /nfs/dbraw/zinc/33/38/06/322333806.db2.gz RJHZTRZQHAPZTJ-UHFFFAOYSA-N 1 2 257.259 2.637 20 70 CFIDLO Cc1cc(NC(=O)Cc2ccc(O)cc2Cl)cc[nH+]1 ZINC000160557419 322339461 /nfs/dbraw/zinc/33/94/61/322339461.db2.gz ORVQMQWXBUOBCD-UHFFFAOYSA-N 1 2 276.723 2.930 20 70 CFIDLO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nncn1C ZINC000160751832 322342208 /nfs/dbraw/zinc/34/22/08/322342208.db2.gz CHQARLBEBYVAIR-LLVKDONJSA-N 1 2 270.336 2.754 20 70 CFIDLO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nncn1C ZINC000160751832 322342211 /nfs/dbraw/zinc/34/22/11/322342211.db2.gz CHQARLBEBYVAIR-LLVKDONJSA-N 1 2 270.336 2.754 20 70 CFIDLO CC[C@]1(C)C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160831071 322343467 /nfs/dbraw/zinc/34/34/67/322343467.db2.gz OTZCYQUDIMTLHF-RHSMWYFYSA-N 1 2 287.407 2.734 20 70 CFIDLO CC(C)n1cc[nH+]c1CN(C)CC(=O)Nc1ccccc1 ZINC000160780435 520022678 /nfs/dbraw/zinc/02/26/78/520022678.db2.gz ZYYJEKSDKAQUQU-UHFFFAOYSA-N 1 2 286.379 2.535 20 70 CFIDLO CCN(Cc1ccccc1C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159460238 521377702 /nfs/dbraw/zinc/37/77/02/521377702.db2.gz DQLTVGCYXWXJFK-HNNXBMFYSA-N 1 2 297.402 2.803 20 70 CFIDLO Cc1cccc([C@@H](C)C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000159836760 524815048 /nfs/dbraw/zinc/81/50/48/524815048.db2.gz BAOKYVXZMAFZDZ-CQSZACIVSA-N 1 2 297.402 2.876 20 70 CFIDLO Cc1nc(C2([NH2+]Cc3ccccc3)CCCC2)no1 ZINC000161366145 348024191 /nfs/dbraw/zinc/02/41/91/348024191.db2.gz VIYDNXLKJMZWGP-UHFFFAOYSA-N 1 2 257.337 2.937 20 70 CFIDLO CCc1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160123001 541021639 /nfs/dbraw/zinc/02/16/39/541021639.db2.gz MMWCGPNTWZQKBJ-CYBMUJFWSA-N 1 2 272.352 2.673 20 70 CFIDLO CCc1noc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160123001 541021641 /nfs/dbraw/zinc/02/16/41/541021641.db2.gz MMWCGPNTWZQKBJ-CYBMUJFWSA-N 1 2 272.352 2.673 20 70 CFIDLO Cc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159718553 378725783 /nfs/dbraw/zinc/72/57/83/378725783.db2.gz KHAQEWTUGSNFCV-OAHLLOKOSA-N 1 2 296.374 2.790 20 70 CFIDLO Cc1nc(C[N@@H+](C)Cc2cccc(N(C)C)c2)oc1C ZINC000159836154 378734075 /nfs/dbraw/zinc/73/40/75/378734075.db2.gz LIBLGQJBEMQOEJ-UHFFFAOYSA-N 1 2 273.380 2.989 20 70 CFIDLO Cc1nc(C[N@H+](C)Cc2cccc(N(C)C)c2)oc1C ZINC000159836154 378734082 /nfs/dbraw/zinc/73/40/82/378734082.db2.gz LIBLGQJBEMQOEJ-UHFFFAOYSA-N 1 2 273.380 2.989 20 70 CFIDLO CCc1nnc(C[NH2+][C@H](CC)c2cc(F)ccc2F)[nH]1 ZINC000160461427 378774822 /nfs/dbraw/zinc/77/48/22/378774822.db2.gz XUUBTCISOGZOIT-GFCCVEGCSA-N 1 2 280.322 2.886 20 70 CFIDLO CC1(C)C[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000160646094 378787506 /nfs/dbraw/zinc/78/75/06/378787506.db2.gz BDINDANKUHKTSW-ZDUSSCGKSA-N 1 2 299.374 2.947 20 70 CFIDLO COc1ccc([NH2+]C2CCC(NC(C)=O)CC2)c(OC)c1 ZINC000161077239 378819345 /nfs/dbraw/zinc/81/93/45/378819345.db2.gz HWXMMXABZOWWDL-UHFFFAOYSA-N 1 2 292.379 2.563 20 70 CFIDLO CCOc1cccc(C[NH2+][C@H](COC)c2ccc(C)o2)n1 ZINC000159477371 322323555 /nfs/dbraw/zinc/32/35/55/322323555.db2.gz RBHCIVRPTKVDOU-CQSZACIVSA-N 1 2 290.363 2.859 20 70 CFIDLO CCc1nnc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)[nH]1 ZINC000160469719 322338371 /nfs/dbraw/zinc/33/83/71/322338371.db2.gz INCXVMHWEGQHEB-UHFFFAOYSA-N 1 2 292.333 2.814 20 70 CFIDLO COc1cc[nH+]cc1NCc1ccccc1NC(C)=O ZINC000160648946 322341052 /nfs/dbraw/zinc/34/10/52/322341052.db2.gz MAIKKDVFAUKGLE-UHFFFAOYSA-N 1 2 271.320 2.661 20 70 CFIDLO CCc1oc2ccccc2c1C[N@H+](C)Cc1nncn1C ZINC000160719893 322341871 /nfs/dbraw/zinc/34/18/71/322341871.db2.gz VKFFKUIEVNFNMQ-UHFFFAOYSA-N 1 2 284.363 2.756 20 70 CFIDLO CCc1oc2ccccc2c1C[N@@H+](C)Cc1nncn1C ZINC000160719893 322341873 /nfs/dbraw/zinc/34/18/73/322341873.db2.gz VKFFKUIEVNFNMQ-UHFFFAOYSA-N 1 2 284.363 2.756 20 70 CFIDLO COc1cccc([C@H](C)[N@H+](C)Cc2nccn2C)c1 ZINC000160869435 322344337 /nfs/dbraw/zinc/34/43/37/322344337.db2.gz RRHJJWDRANPCIO-LBPRGKRZSA-N 1 2 259.353 2.622 20 70 CFIDLO COc1cccc([C@H](C)[N@@H+](C)Cc2nccn2C)c1 ZINC000160869435 322344339 /nfs/dbraw/zinc/34/43/39/322344339.db2.gz RRHJJWDRANPCIO-LBPRGKRZSA-N 1 2 259.353 2.622 20 70 CFIDLO CC(C)(C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161019785 322346059 /nfs/dbraw/zinc/34/60/59/322346059.db2.gz PLLJXCLTYUJBMV-UONOGXRCSA-N 1 2 289.423 2.873 20 70 CFIDLO CCc1nnc([C@H](C)[N@H+](CC)Cc2ccccn2)o1 ZINC000161041207 322346348 /nfs/dbraw/zinc/34/63/48/322346348.db2.gz QQXOGKHKMCTHDA-NSHDSACASA-N 1 2 260.341 2.610 20 70 CFIDLO CCc1nnc([C@H](C)[N@@H+](CC)Cc2ccccn2)o1 ZINC000161041207 322346351 /nfs/dbraw/zinc/34/63/51/322346351.db2.gz QQXOGKHKMCTHDA-NSHDSACASA-N 1 2 260.341 2.610 20 70 CFIDLO O=C(NCCCn1cc[nH+]c1)c1cc(F)c(Cl)cc1F ZINC000161361905 322350489 /nfs/dbraw/zinc/35/04/89/322350489.db2.gz JAFYMZMMSSXTHQ-UHFFFAOYSA-N 1 2 299.708 2.635 20 70 CFIDLO CCC1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160239593 519851597 /nfs/dbraw/zinc/85/15/97/519851597.db2.gz VPMDBYHQZGNTOE-NRXISQOPSA-N 1 2 289.423 2.778 20 70 CFIDLO CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161326295 522313478 /nfs/dbraw/zinc/31/34/78/522313478.db2.gz VHPSKDFNTGQMCS-HZPDHXFCSA-N 1 2 297.402 2.583 20 70 CFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cn3cccnc3n2)n1 ZINC000160004233 524855194 /nfs/dbraw/zinc/85/51/94/524855194.db2.gz VZVCOWXZCSSKRG-INIZCTEOSA-N 1 2 293.374 2.770 20 70 CFIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cn3cccnc3n2)n1 ZINC000160004233 524855205 /nfs/dbraw/zinc/85/52/05/524855205.db2.gz VZVCOWXZCSSKRG-INIZCTEOSA-N 1 2 293.374 2.770 20 70 CFIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000161503904 525897882 /nfs/dbraw/zinc/89/78/82/525897882.db2.gz GNQGLOXFTJSEOJ-VHSXEESVSA-N 1 2 274.345 2.899 20 70 CFIDLO Cc1cncc(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159721704 526207121 /nfs/dbraw/zinc/20/71/21/526207121.db2.gz UMIXNMDUZPOYLX-UHFFFAOYSA-N 1 2 293.374 2.666 20 70 CFIDLO CC(C)CSCCCNC(=O)CCCn1cc[nH+]c1 ZINC000160743248 348020493 /nfs/dbraw/zinc/02/04/93/348020493.db2.gz GONXWCSAMVQXFN-UHFFFAOYSA-N 1 2 283.441 2.559 20 70 CFIDLO Cc1cc(NC(=O)C[C@H](C)c2ccncc2)cc[nH+]1 ZINC000160558409 539827992 /nfs/dbraw/zinc/82/79/92/539827992.db2.gz SPQHZLYTIVCREY-NSHDSACASA-N 1 2 255.321 2.917 20 70 CFIDLO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000160902071 540682978 /nfs/dbraw/zinc/68/29/78/540682978.db2.gz LGCIVWKBGSSFJP-OAHLLOKOSA-N 1 2 294.443 2.634 20 70 CFIDLO CCCn1c(C)nnc1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000160902071 540682982 /nfs/dbraw/zinc/68/29/82/540682982.db2.gz LGCIVWKBGSSFJP-OAHLLOKOSA-N 1 2 294.443 2.634 20 70 CFIDLO CCOC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000218171200 189713979 /nfs/dbraw/zinc/71/39/79/189713979.db2.gz PZCSOXCNWVJVIU-HOTGVXAUSA-N 1 2 291.391 2.792 20 70 CFIDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000218171200 189713980 /nfs/dbraw/zinc/71/39/80/189713980.db2.gz PZCSOXCNWVJVIU-HOTGVXAUSA-N 1 2 291.391 2.792 20 70 CFIDLO C[C@@H]1CCN(C(=O)NCc2cn3ccccc3[nH+]2)C[C@H]1C ZINC000159888203 378735377 /nfs/dbraw/zinc/73/53/77/378735377.db2.gz SAZDEBAZYWVMPI-CHWSQXEVSA-N 1 2 286.379 2.522 20 70 CFIDLO CCc1nnc(C[N@H+]2CC=C(c3cccc(C)c3)CC2)[nH]1 ZINC000160232808 378757799 /nfs/dbraw/zinc/75/77/99/378757799.db2.gz ACAOKFOXYKPOTO-UHFFFAOYSA-N 1 2 282.391 2.965 20 70 CFIDLO CCc1nnc(C[N@@H+]2CC=C(c3cccc(C)c3)CC2)[nH]1 ZINC000160232808 378757806 /nfs/dbraw/zinc/75/78/06/378757806.db2.gz ACAOKFOXYKPOTO-UHFFFAOYSA-N 1 2 282.391 2.965 20 70 CFIDLO C[N@@H+](Cc1noc(C2CCCCC2)n1)C[C@@H]1CCCOC1 ZINC000160095966 378749112 /nfs/dbraw/zinc/74/91/12/378749112.db2.gz FCBDLLIUVIBCPN-ZDUSSCGKSA-N 1 2 293.411 2.976 20 70 CFIDLO C[N@H+](Cc1noc(C2CCCCC2)n1)C[C@@H]1CCCOC1 ZINC000160095966 378749115 /nfs/dbraw/zinc/74/91/15/378749115.db2.gz FCBDLLIUVIBCPN-ZDUSSCGKSA-N 1 2 293.411 2.976 20 70 CFIDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159659735 378722662 /nfs/dbraw/zinc/72/26/62/378722662.db2.gz JMZQAZHMBGNOKB-ZDUSSCGKSA-N 1 2 272.314 2.875 20 70 CFIDLO CCN(CC)c1ccc(CNC(=O)C[C@@H](C)SC)c[nH+]1 ZINC000159774816 378728788 /nfs/dbraw/zinc/72/87/88/378728788.db2.gz IGEVDXIUXUSMQM-GFCCVEGCSA-N 1 2 295.452 2.686 20 70 CFIDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1cccnc1 ZINC000160483904 378776535 /nfs/dbraw/zinc/77/65/35/378776535.db2.gz OIWMJURFOKAUKU-IIAWOOMASA-N 1 2 289.423 2.597 20 70 CFIDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)Cc1cccnc1 ZINC000160483904 378776540 /nfs/dbraw/zinc/77/65/40/378776540.db2.gz OIWMJURFOKAUKU-IIAWOOMASA-N 1 2 289.423 2.597 20 70 CFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1occc1C ZINC000161271161 378833956 /nfs/dbraw/zinc/83/39/56/378833956.db2.gz TWMQORINUMTKNQ-LBPRGKRZSA-N 1 2 251.326 2.506 20 70 CFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1occc1C ZINC000161271161 378833963 /nfs/dbraw/zinc/83/39/63/378833963.db2.gz TWMQORINUMTKNQ-LBPRGKRZSA-N 1 2 251.326 2.506 20 70 CFIDLO CC[N@H+](Cc1nncn1C)[C@H](C)c1ccc(F)cc1 ZINC000160807518 322343780 /nfs/dbraw/zinc/34/37/80/322343780.db2.gz JOOCJIVWEJRFNB-LLVKDONJSA-N 1 2 262.332 2.537 20 70 CFIDLO CC[N@@H+](Cc1nncn1C)[C@H](C)c1ccc(F)cc1 ZINC000160807518 322343783 /nfs/dbraw/zinc/34/37/83/322343783.db2.gz JOOCJIVWEJRFNB-LLVKDONJSA-N 1 2 262.332 2.537 20 70 CFIDLO C[C@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000161282106 278347296 /nfs/dbraw/zinc/34/72/96/278347296.db2.gz ADZJYZGFBHAASG-WDEREUQCSA-N 1 2 293.436 2.896 20 70 CFIDLO C[C@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000161282106 278347298 /nfs/dbraw/zinc/34/72/98/278347298.db2.gz ADZJYZGFBHAASG-WDEREUQCSA-N 1 2 293.436 2.896 20 70 CFIDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nncn1C ZINC000160758806 322342173 /nfs/dbraw/zinc/34/21/73/322342173.db2.gz ZKIOEUUULCCMEU-JTQLQIEISA-N 1 2 264.760 2.662 20 70 CFIDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nncn1C ZINC000160758806 322342176 /nfs/dbraw/zinc/34/21/76/322342176.db2.gz ZKIOEUUULCCMEU-JTQLQIEISA-N 1 2 264.760 2.662 20 70 CFIDLO CC[N@H+](Cc1ccccn1)Cc1nc(N)c2ccccc2n1 ZINC000161145471 322348112 /nfs/dbraw/zinc/34/81/12/322348112.db2.gz GJCNKGOJPKAENT-UHFFFAOYSA-N 1 2 293.374 2.629 20 70 CFIDLO CC[N@@H+](Cc1ccccn1)Cc1nc(N)c2ccccc2n1 ZINC000161145471 322348114 /nfs/dbraw/zinc/34/81/14/322348114.db2.gz GJCNKGOJPKAENT-UHFFFAOYSA-N 1 2 293.374 2.629 20 70 CFIDLO CCCC1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160399529 519898109 /nfs/dbraw/zinc/89/81/09/519898109.db2.gz CCEUSHRETUXZSE-SLTAFYQDSA-N 1 2 289.423 2.921 20 70 CFIDLO CN(CCCc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159987364 522797975 /nfs/dbraw/zinc/79/79/75/522797975.db2.gz CVQCEEZXCMVOSF-INIZCTEOSA-N 1 2 297.402 2.537 20 70 CFIDLO CCn1ccnc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000160736467 523529328 /nfs/dbraw/zinc/52/93/28/523529328.db2.gz MILPJUBUIPHMLI-UHFFFAOYSA-N 1 2 297.402 2.998 20 70 CFIDLO CCn1cc[nH+]c1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000160736467 523529333 /nfs/dbraw/zinc/52/93/33/523529333.db2.gz MILPJUBUIPHMLI-UHFFFAOYSA-N 1 2 297.402 2.998 20 70 CFIDLO Cc1ccc([C@H](C)N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159432893 525881999 /nfs/dbraw/zinc/88/19/99/525881999.db2.gz HOUPLNDKXXZOQC-HOCLYGCPSA-N 1 2 297.402 2.974 20 70 CFIDLO FC(F)CN(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000160215287 527692677 /nfs/dbraw/zinc/69/26/77/527692677.db2.gz UTVMSXYSVRZIAD-UHFFFAOYSA-N 1 2 251.280 2.564 20 70 CFIDLO Cn1ccnc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000160835772 348021322 /nfs/dbraw/zinc/02/13/22/348021322.db2.gz QLURDMKGROGHPQ-MRXNPFEDSA-N 1 2 285.391 2.601 20 70 CFIDLO Cn1ccnc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000160835772 348021324 /nfs/dbraw/zinc/02/13/24/348021324.db2.gz QLURDMKGROGHPQ-MRXNPFEDSA-N 1 2 285.391 2.601 20 70 CFIDLO CC(C)c1nc(N[C@@H](CC(N)=O)C2CCCCC2)cc[nH+]1 ZINC000161410894 541628464 /nfs/dbraw/zinc/62/84/64/541628464.db2.gz DUWMKDIIZWQQIR-ZDUSSCGKSA-N 1 2 290.411 2.836 20 70 CFIDLO O=C(Nc1cccc2[nH]ccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000161131025 284353753 /nfs/dbraw/zinc/35/37/53/284353753.db2.gz XQIVHAJCRWFCGC-NSHDSACASA-N 1 2 280.331 2.566 20 70 CFIDLO c1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)cc(NCC2CC2)[nH+]1 ZINC000160405560 378769989 /nfs/dbraw/zinc/76/99/89/378769989.db2.gz CDDUUQMLGBOLJW-ZIAGYGMSSA-N 1 2 288.395 2.668 20 70 CFIDLO c1nc(NCC2CC2)cc(N[C@@H]2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000160405560 378769994 /nfs/dbraw/zinc/76/99/94/378769994.db2.gz CDDUUQMLGBOLJW-ZIAGYGMSSA-N 1 2 288.395 2.668 20 70 CFIDLO c1nc(N[C@@H]2CCO[C@H](C3CC3)C2)cc(NCC2CC2)[nH+]1 ZINC000160405279 378770634 /nfs/dbraw/zinc/77/06/34/378770634.db2.gz CDDUUQMLGBOLJW-KGLIPLIRSA-N 1 2 288.395 2.668 20 70 CFIDLO c1nc(NCC2CC2)cc(N[C@@H]2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000160405279 378770641 /nfs/dbraw/zinc/77/06/41/378770641.db2.gz CDDUUQMLGBOLJW-KGLIPLIRSA-N 1 2 288.395 2.668 20 70 CFIDLO CC(=O)NC1CCC(Nc2ccc([NH+](C)C)cc2C)CC1 ZINC000161079317 378819255 /nfs/dbraw/zinc/81/92/55/378819255.db2.gz ZMCOCERLFWBTQS-UHFFFAOYSA-N 1 2 289.423 2.920 20 70 CFIDLO CC(=O)NC1CCC([NH2+]c2ccc(N(C)C)cc2C)CC1 ZINC000161079317 378819258 /nfs/dbraw/zinc/81/92/58/378819258.db2.gz ZMCOCERLFWBTQS-UHFFFAOYSA-N 1 2 289.423 2.920 20 70 CFIDLO CCOCC[N@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000159671721 322326076 /nfs/dbraw/zinc/32/60/76/322326076.db2.gz QINSRPYKZHESGI-OAHLLOKOSA-N 1 2 279.380 2.649 20 70 CFIDLO CCOCC[N@@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000159671721 322326079 /nfs/dbraw/zinc/32/60/79/322326079.db2.gz QINSRPYKZHESGI-OAHLLOKOSA-N 1 2 279.380 2.649 20 70 CFIDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)o1 ZINC000160794859 302822079 /nfs/dbraw/zinc/82/20/79/302822079.db2.gz VNUHEQJWYJRUTL-NWDGAFQWSA-N 1 2 297.362 2.976 20 70 CFIDLO Cc1nnc(SCCn2cc[nH+]c2)n1Cc1ccccc1 ZINC000159600506 322325166 /nfs/dbraw/zinc/32/51/66/322325166.db2.gz KAWZHRABQJWUJZ-UHFFFAOYSA-N 1 2 299.403 2.624 20 70 CFIDLO CC(C)c1nc(N(C)C)nc(N[C@H](C)CC2CC2)[nH+]1 ZINC000159729580 322327434 /nfs/dbraw/zinc/32/74/34/322327434.db2.gz FDRCELPCYPKSAC-SNVBAGLBSA-N 1 2 263.389 2.662 20 70 CFIDLO CC(C)c1nc(N[C@H](C)CC2CC2)nc(N(C)C)[nH+]1 ZINC000159729580 322327437 /nfs/dbraw/zinc/32/74/37/322327437.db2.gz FDRCELPCYPKSAC-SNVBAGLBSA-N 1 2 263.389 2.662 20 70 CFIDLO CN(Cc1[nH+]ccn1C)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000159961703 322331013 /nfs/dbraw/zinc/33/10/13/322331013.db2.gz SCTNUEUCCLNDSL-CYBMUJFWSA-N 1 2 277.412 2.985 20 70 CFIDLO Cn1cc[nH+]c1[C@@H](NC(=O)C1=CCCC1)c1cccc(F)c1 ZINC000160209034 322334878 /nfs/dbraw/zinc/33/48/78/322334878.db2.gz IHSYAYHFZWOJGN-HNNXBMFYSA-N 1 2 299.349 2.875 20 70 CFIDLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nncn1C ZINC000160758915 322342246 /nfs/dbraw/zinc/34/22/46/322342246.db2.gz ZKIOEUUULCCMEU-SNVBAGLBSA-N 1 2 264.760 2.662 20 70 CFIDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nncn1C ZINC000160758915 322342249 /nfs/dbraw/zinc/34/22/49/322342249.db2.gz ZKIOEUUULCCMEU-SNVBAGLBSA-N 1 2 264.760 2.662 20 70 CFIDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)no1)c1nccs1 ZINC000161062035 322346865 /nfs/dbraw/zinc/34/68/65/322346865.db2.gz ZFQCRTRNBSHDDA-UWVGGRQHSA-N 1 2 294.380 2.507 20 70 CFIDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(C)no1)c1nccs1 ZINC000161062465 322346927 /nfs/dbraw/zinc/34/69/27/322346927.db2.gz ZFQCRTRNBSHDDA-NXEZZACHSA-N 1 2 294.380 2.507 20 70 CFIDLO CCCn1c(C)nnc1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000161230942 322349356 /nfs/dbraw/zinc/34/93/56/322349356.db2.gz DBPOYRVGDIJTDF-UHFFFAOYSA-N 1 2 294.443 2.776 20 70 CFIDLO CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161415436 519802703 /nfs/dbraw/zinc/80/27/03/519802703.db2.gz VIUJVRYSUPBMDL-RBSFLKMASA-N 1 2 289.423 2.777 20 70 CFIDLO CCOCc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161143771 520202645 /nfs/dbraw/zinc/20/26/45/520202645.db2.gz YVUVSTVDWOFQMU-CQSZACIVSA-N 1 2 299.374 2.621 20 70 CFIDLO CCN(Cc1ccccc1C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159460093 521377453 /nfs/dbraw/zinc/37/74/53/521377453.db2.gz DQLTVGCYXWXJFK-OAHLLOKOSA-N 1 2 297.402 2.803 20 70 CFIDLO C[N@H+](CCCc1nc(-c2ccccc2)no1)CC(F)F ZINC000160558286 522800201 /nfs/dbraw/zinc/80/02/01/522800201.db2.gz SVVWJVUKUODSBF-UHFFFAOYSA-N 1 2 281.306 2.866 20 70 CFIDLO C[N@@H+](CCCc1nc(-c2ccccc2)no1)CC(F)F ZINC000160558286 522800205 /nfs/dbraw/zinc/80/02/05/522800205.db2.gz SVVWJVUKUODSBF-UHFFFAOYSA-N 1 2 281.306 2.866 20 70 CFIDLO C[C@H]1CCC[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000160043244 524180169 /nfs/dbraw/zinc/18/01/69/524180169.db2.gz HCYWOVSXRDYCAJ-KBPBESRZSA-N 1 2 289.423 2.704 20 70 CFIDLO Cc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000161379716 525220692 /nfs/dbraw/zinc/22/06/92/525220692.db2.gz LEPFKFJUVMLDKL-LLVKDONJSA-N 1 2 273.311 2.532 20 70 CFIDLO Fc1cc(Cl)cc(C[NH2+]Cc2nnc3ccccn32)c1 ZINC000160823465 526300316 /nfs/dbraw/zinc/30/03/16/526300316.db2.gz BFRFMZMTFRRBSC-UHFFFAOYSA-N 1 2 290.729 2.812 20 70 CFIDLO O=C(Nc1ccc2ncsc2c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159963033 527303558 /nfs/dbraw/zinc/30/35/58/527303558.db2.gz OVUQDIIUOWSDPQ-SNVBAGLBSA-N 1 2 298.371 2.694 20 70 CFIDLO CCCC[N@H+](CC)Cc1noc(C2CCOCC2)n1 ZINC000160762728 528394133 /nfs/dbraw/zinc/39/41/33/528394133.db2.gz CDWLZPDLNIRCDV-UHFFFAOYSA-N 1 2 267.373 2.586 20 70 CFIDLO CCCC[N@@H+](CC)Cc1noc(C2CCOCC2)n1 ZINC000160762728 528394135 /nfs/dbraw/zinc/39/41/35/528394135.db2.gz CDWLZPDLNIRCDV-UHFFFAOYSA-N 1 2 267.373 2.586 20 70 CFIDLO CCOCCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000160373820 528661896 /nfs/dbraw/zinc/66/18/96/528661896.db2.gz YMEYZFFLULIDSI-HNNXBMFYSA-N 1 2 285.334 2.765 20 70 CFIDLO CCOCCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000160373820 528661899 /nfs/dbraw/zinc/66/18/99/528661899.db2.gz YMEYZFFLULIDSI-HNNXBMFYSA-N 1 2 285.334 2.765 20 70 CFIDLO OC1(c2ccccc2)CCN(c2cccc[nH+]2)CC1 ZINC000217817207 348165909 /nfs/dbraw/zinc/16/59/09/348165909.db2.gz CKBPRTJBFMZLNR-UHFFFAOYSA-N 1 2 254.333 2.570 20 70 CFIDLO C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000160035868 378745839 /nfs/dbraw/zinc/74/58/39/378745839.db2.gz LKZHMNUVJUVWHB-STQMWFEESA-N 1 2 281.359 2.596 20 70 CFIDLO Cc1cc(C)cc(CCC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000159655810 378723456 /nfs/dbraw/zinc/72/34/56/378723456.db2.gz ZXABCQJSGZMVRE-UHFFFAOYSA-N 1 2 299.418 2.981 20 70 CFIDLO CN(c1cc[nH+]c(C2CC2)n1)[C@@H](CCO)c1ccccc1 ZINC000160367498 378766500 /nfs/dbraw/zinc/76/65/00/378766500.db2.gz VYNIRBVVFMPFDQ-HNNXBMFYSA-N 1 2 283.375 2.914 20 70 CFIDLO Nc1nc(N[C@H]2CCO[C@H](C3CC3)C2)[nH+]c2ccccc12 ZINC000160391582 378769193 /nfs/dbraw/zinc/76/91/93/378769193.db2.gz USGURHLWIMYUJM-FZMZJTMJSA-N 1 2 284.363 2.582 20 70 CFIDLO COCC[N@H+](CCCc1cccc(OC)c1)CC(F)F ZINC000160553851 378781205 /nfs/dbraw/zinc/78/12/05/378781205.db2.gz QXFVHNBCBJYCNC-UHFFFAOYSA-N 1 2 287.350 2.841 20 70 CFIDLO COCC[N@@H+](CCCc1cccc(OC)c1)CC(F)F ZINC000160553851 378781215 /nfs/dbraw/zinc/78/12/15/378781215.db2.gz QXFVHNBCBJYCNC-UHFFFAOYSA-N 1 2 287.350 2.841 20 70 CFIDLO CCn1cc(C[N@H+](C)Cc2ccc(OC)cc2OC)cn1 ZINC000160829998 378801631 /nfs/dbraw/zinc/80/16/31/378801631.db2.gz XYDGETFQCWGXJY-UHFFFAOYSA-N 1 2 289.379 2.552 20 70 CFIDLO CCn1cc(C[N@@H+](C)Cc2ccc(OC)cc2OC)cn1 ZINC000160829998 378801639 /nfs/dbraw/zinc/80/16/39/378801639.db2.gz XYDGETFQCWGXJY-UHFFFAOYSA-N 1 2 289.379 2.552 20 70 CFIDLO Cc1noc([C@H]2COCC[N@H+]2CC2CCC(C)CC2)n1 ZINC000161024345 378816816 /nfs/dbraw/zinc/81/68/16/378816816.db2.gz FFCYZLRAGSWXPP-UXUKBGGZSA-N 1 2 279.384 2.578 20 70 CFIDLO Cc1noc([C@H]2COCC[N@@H+]2CC2CCC(C)CC2)n1 ZINC000161024345 378816822 /nfs/dbraw/zinc/81/68/22/378816822.db2.gz FFCYZLRAGSWXPP-UXUKBGGZSA-N 1 2 279.384 2.578 20 70 CFIDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000161480940 378849975 /nfs/dbraw/zinc/84/99/75/378849975.db2.gz VDMCFTMPTWVBLH-JTQLQIEISA-N 1 2 272.439 2.789 20 70 CFIDLO CO[C@@H](C)c1nc(C[N@H+]2CCCSCC2)cs1 ZINC000161480940 378849977 /nfs/dbraw/zinc/84/99/77/378849977.db2.gz VDMCFTMPTWVBLH-JTQLQIEISA-N 1 2 272.439 2.789 20 70 CFIDLO CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159817463 280264888 /nfs/dbraw/zinc/26/48/88/280264888.db2.gz PKPHOGNKRAVKPR-MCIONIFRSA-N 1 2 275.396 2.531 20 70 CFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000161120475 322347780 /nfs/dbraw/zinc/34/77/80/322347780.db2.gz AXRZBTSMNJGZKD-HNNXBMFYSA-N 1 2 297.402 2.955 20 70 CFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000161120475 322347782 /nfs/dbraw/zinc/34/77/82/322347782.db2.gz AXRZBTSMNJGZKD-HNNXBMFYSA-N 1 2 297.402 2.955 20 70 CFIDLO CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2CO)cs1 ZINC000159864415 520477087 /nfs/dbraw/zinc/47/70/87/520477087.db2.gz WGTDTRZZXVBARY-DGCLKSJQSA-N 1 2 284.425 2.587 20 70 CFIDLO CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H]2CO)cs1 ZINC000159864415 520477098 /nfs/dbraw/zinc/47/70/98/520477098.db2.gz WGTDTRZZXVBARY-DGCLKSJQSA-N 1 2 284.425 2.587 20 70 CFIDLO Cc1[nH]c(=O)ccc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000159870571 534507440 /nfs/dbraw/zinc/50/74/40/534507440.db2.gz SLVNRNYJNIHQIK-UHFFFAOYSA-N 1 2 294.314 2.534 20 70 CFIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000161503534 525878042 /nfs/dbraw/zinc/87/80/42/525878042.db2.gz GNQGLOXFTJSEOJ-ZJUUUORDSA-N 1 2 274.345 2.899 20 70 CFIDLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1C1CC1 ZINC000159933113 526338002 /nfs/dbraw/zinc/33/80/02/526338002.db2.gz NLNXCEOWVDUBAT-INIZCTEOSA-N 1 2 297.406 2.962 20 70 CFIDLO Cc1nnc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)n1C1CC1 ZINC000159933113 526338006 /nfs/dbraw/zinc/33/80/06/526338006.db2.gz NLNXCEOWVDUBAT-INIZCTEOSA-N 1 2 297.406 2.962 20 70 CFIDLO C[N@H+](Cc1cncnc1)Cc1ccccc1Br ZINC000160378225 541411350 /nfs/dbraw/zinc/41/13/50/541411350.db2.gz OEZRTOBTTKAIAJ-UHFFFAOYSA-N 1 2 292.180 2.871 20 70 CFIDLO C[N@@H+](Cc1cncnc1)Cc1ccccc1Br ZINC000160378225 541411356 /nfs/dbraw/zinc/41/13/56/541411356.db2.gz OEZRTOBTTKAIAJ-UHFFFAOYSA-N 1 2 292.180 2.871 20 70 CFIDLO Cc1nc(N[C@H]2CCN(c3ncccc3Cl)C2)cc[nH+]1 ZINC000160761059 541472612 /nfs/dbraw/zinc/47/26/12/541472612.db2.gz LAOBBEORLVONEO-NSHDSACASA-N 1 2 289.770 2.524 20 70 CFIDLO C[C@H]1CCN(C(=O)NCc2cn3ccccc3[nH+]2)C[C@H]1C ZINC000159888317 378736938 /nfs/dbraw/zinc/73/69/38/378736938.db2.gz SAZDEBAZYWVMPI-QWHCGFSZSA-N 1 2 286.379 2.522 20 70 CFIDLO CCc1nnc(C[NH2+][C@H](C)c2cc(C)ccc2OC)[nH]1 ZINC000160281061 378760529 /nfs/dbraw/zinc/76/05/29/378760529.db2.gz VJBZZYSXISIAED-LLVKDONJSA-N 1 2 274.368 2.535 20 70 CFIDLO CC[C@@H](C)C[N@H+](CC)[C@H](C(=O)OC)c1cccnc1 ZINC000160571002 378783054 /nfs/dbraw/zinc/78/30/54/378783054.db2.gz CTTIXNHJDIYATH-OCCSQVGLSA-N 1 2 264.369 2.664 20 70 CFIDLO CC[C@@H](C)C[N@@H+](CC)[C@H](C(=O)OC)c1cccnc1 ZINC000160571002 378783060 /nfs/dbraw/zinc/78/30/60/378783060.db2.gz CTTIXNHJDIYATH-OCCSQVGLSA-N 1 2 264.369 2.664 20 70 CFIDLO CC1(C)C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000160646559 378788075 /nfs/dbraw/zinc/78/80/75/378788075.db2.gz WHNAVKGYJCNQTA-ZDUSSCGKSA-N 1 2 290.411 2.836 20 70 CFIDLO CC1(C)C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000160646559 378788078 /nfs/dbraw/zinc/78/80/78/378788078.db2.gz WHNAVKGYJCNQTA-ZDUSSCGKSA-N 1 2 290.411 2.836 20 70 CFIDLO CC(C)CCC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000160252496 378759744 /nfs/dbraw/zinc/75/97/44/378759744.db2.gz YDYFYWLUNJLKCF-UHFFFAOYSA-N 1 2 292.427 2.741 20 70 CFIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000159656214 322326526 /nfs/dbraw/zinc/32/65/26/322326526.db2.gz BSZCNBYJAYNSES-MLGOLLRUSA-N 1 2 297.358 2.816 20 70 CFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C1CCCC1 ZINC000160261358 322335806 /nfs/dbraw/zinc/33/58/06/322335806.db2.gz LYSPVEPXQUGGDR-GJZGRUSLSA-N 1 2 287.407 2.627 20 70 CFIDLO CC(C)c1nc(N(C)CCC2CCOCC2)cc[nH+]1 ZINC000160555251 322339678 /nfs/dbraw/zinc/33/96/78/322339678.db2.gz TUMNJUDKXMOCRN-UHFFFAOYSA-N 1 2 263.385 2.853 20 70 CFIDLO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nncn1C ZINC000160751749 322342348 /nfs/dbraw/zinc/34/23/48/322342348.db2.gz CHQARLBEBYVAIR-NSHDSACASA-N 1 2 270.336 2.754 20 70 CFIDLO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nncn1C ZINC000160751749 322342351 /nfs/dbraw/zinc/34/23/51/322342351.db2.gz CHQARLBEBYVAIR-NSHDSACASA-N 1 2 270.336 2.754 20 70 CFIDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)no1)c1nccs1 ZINC000161062163 322346916 /nfs/dbraw/zinc/34/69/16/322346916.db2.gz ZFQCRTRNBSHDDA-VHSXEESVSA-N 1 2 294.380 2.507 20 70 CFIDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1nccs1)c1nccs1 ZINC000161134896 322347440 /nfs/dbraw/zinc/34/74/40/322347440.db2.gz UPCVTFKHFTUCBG-RKDXNWHRSA-N 1 2 296.421 2.668 20 70 CFIDLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)c(Cl)cc1F ZINC000161184480 322348846 /nfs/dbraw/zinc/34/88/46/322348846.db2.gz DSLWZYLWZHSWTI-UHFFFAOYSA-N 1 2 295.745 2.804 20 70 CFIDLO Cc1[nH]c(=O)ccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161065965 534508258 /nfs/dbraw/zinc/50/82/58/534508258.db2.gz AHYJSDAOVLYYBN-UHFFFAOYSA-N 1 2 294.314 2.738 20 70 CFIDLO CCS[C@@H](C)c1noc(C[N@@H+]2CCCSCC2)n1 ZINC000161482092 521721823 /nfs/dbraw/zinc/72/18/23/521721823.db2.gz ZGRGJSMXSUTWHF-JTQLQIEISA-N 1 2 287.454 2.823 20 70 CFIDLO CCS[C@@H](C)c1noc(C[N@H+]2CCCSCC2)n1 ZINC000161482092 521721824 /nfs/dbraw/zinc/72/18/24/521721824.db2.gz ZGRGJSMXSUTWHF-JTQLQIEISA-N 1 2 287.454 2.823 20 70 CFIDLO C[C@@H]1CCC[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000160043122 524346707 /nfs/dbraw/zinc/34/67/07/524346707.db2.gz HCYWOVSXRDYCAJ-KGLIPLIRSA-N 1 2 289.423 2.704 20 70 CFIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(C3CC3)no2)n1 ZINC000160456216 524895558 /nfs/dbraw/zinc/89/55/58/524895558.db2.gz NYMKBMOIUWDPCW-CQSZACIVSA-N 1 2 284.363 2.988 20 70 CFIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(C3CC3)no2)n1 ZINC000160456216 524895563 /nfs/dbraw/zinc/89/55/63/524895563.db2.gz NYMKBMOIUWDPCW-CQSZACIVSA-N 1 2 284.363 2.988 20 70 CFIDLO O=C(/C=C/C1CCCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161241225 527596693 /nfs/dbraw/zinc/59/66/93/527596693.db2.gz PSDSNTJDZQKDRR-SCOAYWHSSA-N 1 2 299.418 2.913 20 70 CFIDLO CCOCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000160369595 528660945 /nfs/dbraw/zinc/66/09/45/528660945.db2.gz KXGWXAVVWPXJGZ-OAHLLOKOSA-N 1 2 267.344 2.626 20 70 CFIDLO CCOCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000160369595 528660950 /nfs/dbraw/zinc/66/09/50/528660950.db2.gz KXGWXAVVWPXJGZ-OAHLLOKOSA-N 1 2 267.344 2.626 20 70 CFIDLO CCn1ccnc1C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000160726202 529569006 /nfs/dbraw/zinc/56/90/06/529569006.db2.gz OUSAAJDYOIFKCV-UHFFFAOYSA-N 1 2 284.407 2.534 20 70 CFIDLO CCn1cc[nH+]c1CN1CCN(c2cccc(C)c2)CC1 ZINC000160726202 529569011 /nfs/dbraw/zinc/56/90/11/529569011.db2.gz OUSAAJDYOIFKCV-UHFFFAOYSA-N 1 2 284.407 2.534 20 70 CFIDLO CCc1nnc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)[nH]1 ZINC000160429816 348017692 /nfs/dbraw/zinc/01/76/92/348017692.db2.gz WHSLHYOSOBBUKW-UHFFFAOYSA-N 1 2 276.771 2.799 20 70 CFIDLO CC1(C)C[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000161153550 188511220 /nfs/dbraw/zinc/51/12/20/188511220.db2.gz NLVDASQMOFUPKM-LBPRGKRZSA-N 1 2 287.338 2.674 20 70 CFIDLO CC(C)(C)c1cnc(SCCn2cc[nH+]c2)o1 ZINC000160179686 378753625 /nfs/dbraw/zinc/75/36/25/378753625.db2.gz YKGCOSYIUBXLNA-UHFFFAOYSA-N 1 2 251.355 2.961 20 70 CFIDLO COc1cc2c(cc1OC)C[N@H+](Cc1cncs1)CC2 ZINC000159775033 378729297 /nfs/dbraw/zinc/72/92/97/378729297.db2.gz TXVIXOQXYLVVDM-UHFFFAOYSA-N 1 2 290.388 2.719 20 70 CFIDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cncs1)CC2 ZINC000159775033 378729300 /nfs/dbraw/zinc/72/93/00/378729300.db2.gz TXVIXOQXYLVVDM-UHFFFAOYSA-N 1 2 290.388 2.719 20 70 CFIDLO Cc1cc(NC(=O)[C@@H]2OCCc3ccccc32)cc[nH+]1 ZINC000159801740 378730642 /nfs/dbraw/zinc/73/06/42/378730642.db2.gz RWAKODFBZQBULZ-OAHLLOKOSA-N 1 2 268.316 2.643 20 70 CFIDLO c1nc(N[C@H]2CCO[C@H](C3CC3)C2)cc(NCC2CC2)[nH+]1 ZINC000160405425 378770177 /nfs/dbraw/zinc/77/01/77/378770177.db2.gz CDDUUQMLGBOLJW-KBPBESRZSA-N 1 2 288.395 2.668 20 70 CFIDLO c1nc(NCC2CC2)cc(N[C@H]2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000160405425 378770182 /nfs/dbraw/zinc/77/01/82/378770182.db2.gz CDDUUQMLGBOLJW-KBPBESRZSA-N 1 2 288.395 2.668 20 70 CFIDLO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1nnc2n1CCC2 ZINC000160886767 378808296 /nfs/dbraw/zinc/80/82/96/378808296.db2.gz OHPHEFBTOFSFHF-SECBINFHSA-N 1 2 294.761 2.868 20 70 CFIDLO CNC(=O)C(C)(C)CNc1[nH+]c2ccccc2cc1C ZINC000161077896 378819431 /nfs/dbraw/zinc/81/94/31/378819431.db2.gz AFTFCVRGEXVJII-UHFFFAOYSA-N 1 2 271.364 2.727 20 70 CFIDLO CCn1cnnc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000218227311 382789881 /nfs/dbraw/zinc/78/98/81/382789881.db2.gz GYLPWTPDVHIZBY-UHFFFAOYSA-N 1 2 284.285 2.607 20 70 CFIDLO COC(=O)[C@H]1CCCC[N@@H+]1CCOc1c(C)cccc1C ZINC000216904133 393755942 /nfs/dbraw/zinc/75/59/42/393755942.db2.gz KLNHGXYSAGWQSW-OAHLLOKOSA-N 1 2 291.391 2.710 20 70 CFIDLO COC(=O)[C@H]1CCCC[N@H+]1CCOc1c(C)cccc1C ZINC000216904133 393755951 /nfs/dbraw/zinc/75/59/51/393755951.db2.gz KLNHGXYSAGWQSW-OAHLLOKOSA-N 1 2 291.391 2.710 20 70 CFIDLO CCOc1cccc(C[NH2+][C@@H](COC)c2ccc(C)o2)n1 ZINC000159477241 322323472 /nfs/dbraw/zinc/32/34/72/322323472.db2.gz RBHCIVRPTKVDOU-AWEZNQCLSA-N 1 2 290.363 2.859 20 70 CFIDLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000159966949 322330813 /nfs/dbraw/zinc/33/08/13/322330813.db2.gz MBSAPKDUQZWKPE-RRFJBIMHSA-N 1 2 289.423 2.985 20 70 CFIDLO FC(F)(F)c1nnc(NCCCCn2cc[nH+]c2)s1 ZINC000160186665 322334086 /nfs/dbraw/zinc/33/40/86/322334086.db2.gz MVGPWRAIUHQFOU-UHFFFAOYSA-N 1 2 291.302 2.646 20 70 CFIDLO Cn1cc[nH+]c1[C@H](NC(=O)C1=CCCC1)c1cccc(F)c1 ZINC000160208914 322334618 /nfs/dbraw/zinc/33/46/18/322334618.db2.gz IHSYAYHFZWOJGN-OAHLLOKOSA-N 1 2 299.349 2.875 20 70 CFIDLO C[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1F ZINC000160731566 322342452 /nfs/dbraw/zinc/34/24/52/322342452.db2.gz JYMYFZCXJJVFDG-UHFFFAOYSA-N 1 2 278.352 2.618 20 70 CFIDLO C[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1F ZINC000160731566 322342453 /nfs/dbraw/zinc/34/24/53/322342453.db2.gz JYMYFZCXJJVFDG-UHFFFAOYSA-N 1 2 278.352 2.618 20 70 CFIDLO CC(C)(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161019409 322346007 /nfs/dbraw/zinc/34/60/07/322346007.db2.gz PLLJXCLTYUJBMV-KGLIPLIRSA-N 1 2 289.423 2.873 20 70 CFIDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1nccs1 ZINC000161134643 322347619 /nfs/dbraw/zinc/34/76/19/322347619.db2.gz UPCVTFKHFTUCBG-DTWKUNHWSA-N 1 2 296.421 2.668 20 70 CFIDLO CC(C)OC(=O)CCCNc1cc[nH+]c(C(C)C)n1 ZINC000160256171 519744641 /nfs/dbraw/zinc/74/46/41/519744641.db2.gz VCNZYBCLOANDHV-UHFFFAOYSA-N 1 2 265.357 2.744 20 70 CFIDLO CC(C)c1nc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc[nH+]1 ZINC000160050929 519878589 /nfs/dbraw/zinc/87/85/89/519878589.db2.gz ZCKYFNQVHKKJTH-BNOWGMLFSA-N 1 2 273.380 2.970 20 70 CFIDLO CC(C)c1nc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc[nH+]1 ZINC000160050644 519878598 /nfs/dbraw/zinc/87/85/98/519878598.db2.gz ZCKYFNQVHKKJTH-YUTCNCBUSA-N 1 2 273.380 2.970 20 70 CFIDLO CCO[C@@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2CO)cs1 ZINC000159864282 520268539 /nfs/dbraw/zinc/26/85/39/520268539.db2.gz WGTDTRZZXVBARY-WCQYABFASA-N 1 2 284.425 2.587 20 70 CFIDLO CCO[C@@H](C)c1nc(C[N@H+]2CCCC[C@@H]2CO)cs1 ZINC000159864282 520268549 /nfs/dbraw/zinc/26/85/49/520268549.db2.gz WGTDTRZZXVBARY-WCQYABFASA-N 1 2 284.425 2.587 20 70 CFIDLO CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161328730 521110771 /nfs/dbraw/zinc/11/07/71/521110771.db2.gz JNKKZNNALSWPCE-KFWWJZLASA-N 1 2 289.423 2.921 20 70 CFIDLO CC[C@H](C)[C@H]([NH2+]Cc1ccn(C)c1)C(=O)OC(C)(C)C ZINC000159548301 521979271 /nfs/dbraw/zinc/97/92/71/521979271.db2.gz SRWATFCRSQNEBG-JSGCOSHPSA-N 1 2 280.412 2.871 20 70 CFIDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)NC(C)(C)C ZINC000159726248 525656597 /nfs/dbraw/zinc/65/65/97/525656597.db2.gz AHTJYKDTLRMMKP-NXEZZACHSA-N 1 2 284.350 2.919 20 70 CFIDLO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159380845 525712414 /nfs/dbraw/zinc/71/24/14/525712414.db2.gz RUTLTASGOGBTLL-UKRRQHHQSA-N 1 2 283.375 2.631 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccccc2)C2CC2)n1 ZINC000160659604 529564445 /nfs/dbraw/zinc/56/44/45/529564445.db2.gz XXDGAIUJYYGFAJ-UHFFFAOYSA-N 1 2 283.375 2.909 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccccc2)C2CC2)n1 ZINC000160659604 529564449 /nfs/dbraw/zinc/56/44/49/529564449.db2.gz XXDGAIUJYYGFAJ-UHFFFAOYSA-N 1 2 283.375 2.909 20 70 CFIDLO O=C(CC/C=C/c1ccccc1)NCc1[nH]cc[nH+]1 ZINC000159859534 348015320 /nfs/dbraw/zinc/01/53/20/348015320.db2.gz HNRGEMQJXGBPCQ-XBXARRHUSA-N 1 2 255.321 2.520 20 70 CFIDLO CC(C)c1nc(N[C@H]2CCO[C@@H](C3CC3)C2)cc[nH+]1 ZINC000160348631 188467591 /nfs/dbraw/zinc/46/75/91/188467591.db2.gz FEMAZEVXRAXCSX-QWHCGFSZSA-N 1 2 261.369 2.970 20 70 CFIDLO CCc1ccc([C@@H](C)CC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000159863918 378735701 /nfs/dbraw/zinc/73/57/01/378735701.db2.gz WJGHXFRZXIZJSF-LBPRGKRZSA-N 1 2 271.364 2.782 20 70 CFIDLO CCc1nnc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)[nH]1 ZINC000160480878 378775439 /nfs/dbraw/zinc/77/54/39/378775439.db2.gz SZWXPGBQHTWCDD-UHFFFAOYSA-N 1 2 280.322 2.670 20 70 CFIDLO Cn1nncc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000160701062 378791919 /nfs/dbraw/zinc/79/19/19/378791919.db2.gz QEEJIKAARCTIBA-CYBMUJFWSA-N 1 2 299.403 2.762 20 70 CFIDLO Cn1nncc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000160701062 378791928 /nfs/dbraw/zinc/79/19/28/378791928.db2.gz QEEJIKAARCTIBA-CYBMUJFWSA-N 1 2 299.403 2.762 20 70 CFIDLO C[N@H+](Cc1cccc(F)c1Br)[C@@H]1CCOC1 ZINC000160694760 378792069 /nfs/dbraw/zinc/79/20/69/378792069.db2.gz GIBWEZXMEBQNMT-SNVBAGLBSA-N 1 2 288.160 2.809 20 70 CFIDLO C[N@@H+](Cc1cccc(F)c1Br)[C@@H]1CCOC1 ZINC000160694760 378792074 /nfs/dbraw/zinc/79/20/74/378792074.db2.gz GIBWEZXMEBQNMT-SNVBAGLBSA-N 1 2 288.160 2.809 20 70 CFIDLO CCCC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(=O)OC ZINC000161043821 378815683 /nfs/dbraw/zinc/81/56/83/378815683.db2.gz WXKKKZYYDWOFGM-CQSZACIVSA-N 1 2 274.364 2.989 20 70 CFIDLO CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161170099 378828177 /nfs/dbraw/zinc/82/81/77/378828177.db2.gz XFHJOAQDTYYEQO-GXTWGEPZSA-N 1 2 299.374 2.792 20 70 CFIDLO CC[N@H+](CCCNC(=O)C1(C)CC1)c1ccccc1 ZINC000159696336 322327036 /nfs/dbraw/zinc/32/70/36/322327036.db2.gz GQROUNNMZIYSRR-UHFFFAOYSA-N 1 2 260.381 2.819 20 70 CFIDLO CC[N@@H+](CCCNC(=O)C1(C)CC1)c1ccccc1 ZINC000159696336 322327039 /nfs/dbraw/zinc/32/70/39/322327039.db2.gz GQROUNNMZIYSRR-UHFFFAOYSA-N 1 2 260.381 2.819 20 70 CFIDLO COC(=O)C1([NH2+]CCOc2cccc(C)c2)CCCCC1 ZINC000217097401 280932331 /nfs/dbraw/zinc/93/23/31/280932331.db2.gz XNOOMKPUHBTAQO-UHFFFAOYSA-N 1 2 291.391 2.839 20 70 CFIDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc(F)c1F ZINC000159469170 322322712 /nfs/dbraw/zinc/32/27/12/322322712.db2.gz WARAQALRVKPGON-ZUZCIYMTSA-N 1 2 290.313 2.842 20 70 CFIDLO Cc1cccc(-c2nnc(SCCn3cc[nH+]c3)n2C)c1 ZINC000159702752 322326939 /nfs/dbraw/zinc/32/69/39/322326939.db2.gz FRVZUJMZFYVSSV-UHFFFAOYSA-N 1 2 299.403 2.779 20 70 CFIDLO CC(C)(C)c1cnc(CSCC[NH+]2CCOCC2)o1 ZINC000159823607 322328547 /nfs/dbraw/zinc/32/85/47/322328547.db2.gz UEHQHCJTEGZVRQ-UHFFFAOYSA-N 1 2 284.425 2.538 20 70 CFIDLO C(=Cc1ccccc1)c1nc(SCCn2cc[nH+]c2)n[nH]1 ZINC000160077045 322332567 /nfs/dbraw/zinc/33/25/67/322332567.db2.gz PWACASIKHFWWJA-VOTSOKGWSA-N 1 2 297.387 2.964 20 70 CFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C1CCCC1 ZINC000160260944 322335839 /nfs/dbraw/zinc/33/58/39/322335839.db2.gz LYSPVEPXQUGGDR-HUUCEWRRSA-N 1 2 287.407 2.627 20 70 CFIDLO Cc1ccc(-c2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1 ZINC000160503740 322338950 /nfs/dbraw/zinc/33/89/50/322338950.db2.gz SDTSXUOGUSNLEC-UHFFFAOYSA-N 1 2 280.371 2.594 20 70 CFIDLO Cc1ccc(-c2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1 ZINC000160503740 322338953 /nfs/dbraw/zinc/33/89/53/322338953.db2.gz SDTSXUOGUSNLEC-UHFFFAOYSA-N 1 2 280.371 2.594 20 70 CFIDLO CCn1nccc1C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000160834179 322343451 /nfs/dbraw/zinc/34/34/51/322343451.db2.gz HEOHSOCTKRONCP-UHFFFAOYSA-N 1 2 289.379 2.552 20 70 CFIDLO CC[C@]1(C)C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160831321 322343395 /nfs/dbraw/zinc/34/33/95/322343395.db2.gz OTZCYQUDIMTLHF-WMLDXEAASA-N 1 2 287.407 2.734 20 70 CFIDLO CCn1nccc1C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000160834179 322343454 /nfs/dbraw/zinc/34/34/54/322343454.db2.gz HEOHSOCTKRONCP-UHFFFAOYSA-N 1 2 289.379 2.552 20 70 CFIDLO Cc1cc(N[C@H]2CC[C@@H](CO)CC2)nc(-c2cccnc2)[nH+]1 ZINC000161313299 322350163 /nfs/dbraw/zinc/35/01/63/322350163.db2.gz FWVCCBBPLXNOJV-CTYIDZIISA-N 1 2 298.390 2.810 20 70 CFIDLO Cc1ccc([C@@H](C)N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159432765 525685177 /nfs/dbraw/zinc/68/51/77/525685177.db2.gz HOUPLNDKXXZOQC-ZBFHGGJFSA-N 1 2 297.402 2.974 20 70 CFIDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000160177876 526042477 /nfs/dbraw/zinc/04/24/77/526042477.db2.gz RVWLYBBLVTVZFL-CQSZACIVSA-N 1 2 291.391 2.840 20 70 CFIDLO Cc1ccc(C(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000160177876 526042484 /nfs/dbraw/zinc/04/24/84/526042484.db2.gz RVWLYBBLVTVZFL-CQSZACIVSA-N 1 2 291.391 2.840 20 70 CFIDLO CC[C@H]1CCC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000159675584 188436127 /nfs/dbraw/zinc/43/61/27/188436127.db2.gz OLRRXTZKPQAXCM-GXTWGEPZSA-N 1 2 271.364 2.572 20 70 CFIDLO CC1(C)C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000159764477 188440294 /nfs/dbraw/zinc/44/02/94/188440294.db2.gz VHZZCOWEGXJXME-AWEZNQCLSA-N 1 2 288.391 2.503 20 70 CFIDLO CC[N@H+](CCCNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000160226252 378757764 /nfs/dbraw/zinc/75/77/64/378757764.db2.gz LDKIEZIBBPWZFQ-INIZCTEOSA-N 1 2 290.407 2.588 20 70 CFIDLO CC[N@@H+](CCCNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000160226252 378757771 /nfs/dbraw/zinc/75/77/71/378757771.db2.gz LDKIEZIBBPWZFQ-INIZCTEOSA-N 1 2 290.407 2.588 20 70 CFIDLO CCOc1ccc([NH2+][C@H](C)CCn2cccn2)cc1CO ZINC000159423905 378709280 /nfs/dbraw/zinc/70/92/80/378709280.db2.gz PYXZIQXICATTFV-CYBMUJFWSA-N 1 2 289.379 2.665 20 70 CFIDLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1)c1ccccc1 ZINC000159459412 378710512 /nfs/dbraw/zinc/71/05/12/378710512.db2.gz DXSSJBINSCYYAJ-HUUCEWRRSA-N 1 2 297.402 2.779 20 70 CFIDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1)c1ccccc1 ZINC000159459412 378710519 /nfs/dbraw/zinc/71/05/19/378710519.db2.gz DXSSJBINSCYYAJ-HUUCEWRRSA-N 1 2 297.402 2.779 20 70 CFIDLO CCc1nnc(C[N@H+](C)Cc2cccc(OC(C)C)c2)[nH]1 ZINC000159540025 378715040 /nfs/dbraw/zinc/71/50/40/378715040.db2.gz WUNGNMXUEVTVBL-UHFFFAOYSA-N 1 2 288.395 2.786 20 70 CFIDLO CCc1nnc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)[nH]1 ZINC000159540025 378715046 /nfs/dbraw/zinc/71/50/46/378715046.db2.gz WUNGNMXUEVTVBL-UHFFFAOYSA-N 1 2 288.395 2.786 20 70 CFIDLO CC(C)c1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)cc[nH+]1 ZINC000160348494 378765119 /nfs/dbraw/zinc/76/51/19/378765119.db2.gz FEMAZEVXRAXCSX-CHWSQXEVSA-N 1 2 261.369 2.970 20 70 CFIDLO COCCC1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC000161170095 378827112 /nfs/dbraw/zinc/82/71/12/378827112.db2.gz QPUPOCVJSLXCOF-UHFFFAOYSA-N 1 2 285.347 2.832 20 70 CFIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000159655955 322326512 /nfs/dbraw/zinc/32/65/12/322326512.db2.gz BSZCNBYJAYNSES-WBMJQRKESA-N 1 2 297.358 2.816 20 70 CFIDLO CC[N@H+](Cc1occc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159907572 322329908 /nfs/dbraw/zinc/32/99/08/322329908.db2.gz LSVKIYNZJVDFBP-UHFFFAOYSA-N 1 2 297.358 2.847 20 70 CFIDLO CC[N@@H+](Cc1occc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159907572 322329911 /nfs/dbraw/zinc/32/99/11/322329911.db2.gz LSVKIYNZJVDFBP-UHFFFAOYSA-N 1 2 297.358 2.847 20 70 CFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C1CCCC1 ZINC000160261232 322335845 /nfs/dbraw/zinc/33/58/45/322335845.db2.gz LYSPVEPXQUGGDR-CABCVRRESA-N 1 2 287.407 2.627 20 70 CFIDLO CCOC(=O)C[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000160541366 322339397 /nfs/dbraw/zinc/33/93/97/322339397.db2.gz VSNNYBZNEIBXGR-UHFFFAOYSA-N 1 2 261.365 2.917 20 70 CFIDLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160831212 322343655 /nfs/dbraw/zinc/34/36/55/322343655.db2.gz OTZCYQUDIMTLHF-PBHICJAKSA-N 1 2 287.407 2.734 20 70 CFIDLO Cc1ccc(C(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC000160824324 322343767 /nfs/dbraw/zinc/34/37/67/322343767.db2.gz ONVWXXYXVHACFB-UHFFFAOYSA-N 1 2 297.402 2.823 20 70 CFIDLO Cc1ccc(C(=O)C2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000160824324 322343769 /nfs/dbraw/zinc/34/37/69/322343769.db2.gz ONVWXXYXVHACFB-UHFFFAOYSA-N 1 2 297.402 2.823 20 70 CFIDLO CCCOc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000159775535 520461340 /nfs/dbraw/zinc/46/13/40/520461340.db2.gz QJRICFKTPBDEEY-CYBMUJFWSA-N 1 2 299.374 2.873 20 70 CFIDLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159722733 523532738 /nfs/dbraw/zinc/53/27/38/523532738.db2.gz KVZWPZVGPIRYBA-OAHLLOKOSA-N 1 2 270.380 2.944 20 70 CFIDLO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159722733 523532745 /nfs/dbraw/zinc/53/27/45/523532745.db2.gz KVZWPZVGPIRYBA-OAHLLOKOSA-N 1 2 270.380 2.944 20 70 CFIDLO Cc1nnc(N(C)Cc2[nH+]ccn2Cc2ccccc2)s1 ZINC000159715885 526352277 /nfs/dbraw/zinc/35/22/77/526352277.db2.gz MAXXMICPKRPYRQ-UHFFFAOYSA-N 1 2 299.403 2.728 20 70 CFIDLO Cc1ccc(C(=O)CC[N@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000161353889 232251501 /nfs/dbraw/zinc/25/15/01/232251501.db2.gz GXUWJSIYRGBMNK-HNNXBMFYSA-N 1 2 298.390 2.533 20 70 CFIDLO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H]2c2nncn2C)cc1 ZINC000161353889 232251503 /nfs/dbraw/zinc/25/15/03/232251503.db2.gz GXUWJSIYRGBMNK-HNNXBMFYSA-N 1 2 298.390 2.533 20 70 CFIDLO C[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1Cl ZINC000161159336 541549152 /nfs/dbraw/zinc/54/91/52/541549152.db2.gz DDTOIGGEPYQGKH-UHFFFAOYSA-N 1 2 289.828 2.597 20 70 CFIDLO C[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1Cl ZINC000161159336 541549154 /nfs/dbraw/zinc/54/91/54/541549154.db2.gz DDTOIGGEPYQGKH-UHFFFAOYSA-N 1 2 289.828 2.597 20 70 CFIDLO CCc1noc([C@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159867253 378735962 /nfs/dbraw/zinc/73/59/62/378735962.db2.gz LWFUVYUEKAECAU-LBPRGKRZSA-N 1 2 288.395 2.891 20 70 CFIDLO CCc1noc([C@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159867253 378735965 /nfs/dbraw/zinc/73/59/65/378735965.db2.gz LWFUVYUEKAECAU-LBPRGKRZSA-N 1 2 288.395 2.891 20 70 CFIDLO CS[C@H](C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000159974368 378739862 /nfs/dbraw/zinc/73/98/62/378739862.db2.gz SRSLMUVHKWHIFS-LLVKDONJSA-N 1 2 275.377 2.952 20 70 CFIDLO CC(C)CONC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000160029109 378743734 /nfs/dbraw/zinc/74/37/34/378743734.db2.gz XFOGOJPBUYPBBN-UHFFFAOYSA-N 1 2 288.351 2.796 20 70 CFIDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)[nH]1 ZINC000160308937 378762346 /nfs/dbraw/zinc/76/23/46/378762346.db2.gz VKKQBRJKWGXQNI-VIFPVBQESA-N 1 2 296.321 2.819 20 70 CFIDLO c1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000160414849 378770304 /nfs/dbraw/zinc/77/03/04/378770304.db2.gz RZMHCJOPQKIFGS-QWHCGFSZSA-N 1 2 259.353 2.724 20 70 CFIDLO CC[C@@H](O)CN(Cc1ccccc1)c1cc(C)[nH+]cn1 ZINC000161020228 378815623 /nfs/dbraw/zinc/81/56/23/378815623.db2.gz WUBKLALZOPWERB-OAHLLOKOSA-N 1 2 271.364 2.563 20 70 CFIDLO CC(=O)NC1CCC([NH2+]c2ccc(-n3cccn3)cc2)CC1 ZINC000161176077 378828300 /nfs/dbraw/zinc/82/83/00/378828300.db2.gz DADFZNAGJDMBFP-UHFFFAOYSA-N 1 2 298.390 2.732 20 70 CFIDLO CCn1cnnc1C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000218231359 397621164 /nfs/dbraw/zinc/62/11/64/397621164.db2.gz JUVCDBLBTUOGGD-SECBINFHSA-N 1 2 282.750 2.941 20 70 CFIDLO C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000160035614 279806839 /nfs/dbraw/zinc/80/68/39/279806839.db2.gz LKZHMNUVJUVWHB-QWHCGFSZSA-N 1 2 281.359 2.596 20 70 CFIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000159656352 322326149 /nfs/dbraw/zinc/32/61/49/322326149.db2.gz BSZCNBYJAYNSES-BLLLJJGKSA-N 1 2 297.358 2.816 20 70 CFIDLO Cc1ccc(-n2cnnc2SCCn2cc[nH+]c2)c(C)c1 ZINC000159712416 322326761 /nfs/dbraw/zinc/32/67/61/322326761.db2.gz LQSCJNMCMFPBIY-UHFFFAOYSA-N 1 2 299.403 2.873 20 70 CFIDLO CCC[C@@](C)([NH2+]CCC(=O)c1ccc(C)cc1)C(=O)OC ZINC000159742454 322327316 /nfs/dbraw/zinc/32/73/16/322327316.db2.gz DWHNMUCRBLSEFT-QGZVFWFLSA-N 1 2 291.391 2.889 20 70 CFIDLO CCC[C@](C)([NH2+]CCC(=O)c1ccc(C)cc1)C(=O)OC ZINC000159742309 322327650 /nfs/dbraw/zinc/32/76/50/322327650.db2.gz DWHNMUCRBLSEFT-KRWDZBQOSA-N 1 2 291.391 2.889 20 70 CFIDLO CCCn1c(C)nnc1C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000159977754 322330859 /nfs/dbraw/zinc/33/08/59/322330859.db2.gz FTMFQNGYZRGBQB-CYBMUJFWSA-N 1 2 282.457 2.570 20 70 CFIDLO CCCn1c(C)nnc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000159977754 322330861 /nfs/dbraw/zinc/33/08/61/322330861.db2.gz FTMFQNGYZRGBQB-CYBMUJFWSA-N 1 2 282.457 2.570 20 70 CFIDLO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000160817126 322343324 /nfs/dbraw/zinc/34/33/24/322343324.db2.gz OULIVONPLAUHRW-CYBMUJFWSA-N 1 2 276.771 2.806 20 70 CFIDLO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000160817126 322343326 /nfs/dbraw/zinc/34/33/26/322343326.db2.gz OULIVONPLAUHRW-CYBMUJFWSA-N 1 2 276.771 2.806 20 70 CFIDLO CC(C)(C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161019537 322346016 /nfs/dbraw/zinc/34/60/16/322346016.db2.gz PLLJXCLTYUJBMV-ZIAGYGMSSA-N 1 2 289.423 2.873 20 70 CFIDLO Cc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161436522 322351876 /nfs/dbraw/zinc/35/18/76/322351876.db2.gz XMJHLQIIEKEGHV-BBRMVZONSA-N 1 2 295.386 2.558 20 70 CFIDLO Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161436273 322351958 /nfs/dbraw/zinc/35/19/58/322351958.db2.gz XMJHLQIIEKEGHV-CJNGLKHVSA-N 1 2 295.386 2.558 20 70 CFIDLO CCO[C@H](C)c1nccn1Cc1cn2c(cccc2C)[nH+]1 ZINC000161482718 322352323 /nfs/dbraw/zinc/35/23/23/322352323.db2.gz POZPNLNUWQVOBP-CYBMUJFWSA-N 1 2 284.363 2.985 20 70 CFIDLO CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161328937 521112867 /nfs/dbraw/zinc/11/28/67/521112867.db2.gz JNKKZNNALSWPCE-RBSFLKMASA-N 1 2 289.423 2.921 20 70 CFIDLO CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161326562 522315477 /nfs/dbraw/zinc/31/54/77/522315477.db2.gz VHPSKDFNTGQMCS-JKSUJKDBSA-N 1 2 297.402 2.583 20 70 CFIDLO C[C@H]1CCC[C@H](C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000160483981 524178418 /nfs/dbraw/zinc/17/84/18/524178418.db2.gz SSIASSVHJXFIRD-STQMWFEESA-N 1 2 275.396 2.590 20 70 CFIDLO Cc1cc(C)cc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161481228 524468517 /nfs/dbraw/zinc/46/85/17/524468517.db2.gz BHCFGPDCMYACBS-LSDHHAIUSA-N 1 2 297.402 2.940 20 70 CFIDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1c(F)cccc1F ZINC000159725985 525588965 /nfs/dbraw/zinc/58/89/65/525588965.db2.gz AHTJYKDTLRMMKP-ZJUUUORDSA-N 1 2 284.350 2.919 20 70 CFIDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)o1 ZINC000160794980 526405463 /nfs/dbraw/zinc/40/54/63/526405463.db2.gz VNUHEQJWYJRUTL-RYUDHWBXSA-N 1 2 297.362 2.976 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2cccs2)C2CC2)n1 ZINC000160754488 529564752 /nfs/dbraw/zinc/56/47/52/529564752.db2.gz DFJVFLRJPHMIES-UHFFFAOYSA-N 1 2 289.404 2.971 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2cccs2)C2CC2)n1 ZINC000160754488 529564754 /nfs/dbraw/zinc/56/47/54/529564754.db2.gz DFJVFLRJPHMIES-UHFFFAOYSA-N 1 2 289.404 2.971 20 70 CFIDLO c1csc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000159627097 541002762 /nfs/dbraw/zinc/00/27/62/541002762.db2.gz YRNBWIPYAWYYTA-MRXNPFEDSA-N 1 2 286.400 2.817 20 70 CFIDLO c1csc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000159627097 541002763 /nfs/dbraw/zinc/00/27/63/541002763.db2.gz YRNBWIPYAWYYTA-MRXNPFEDSA-N 1 2 286.400 2.817 20 70 CFIDLO CC(C)c1nc(N[C@@H](CO)CC(C)(C)C)cc[nH+]1 ZINC000161405033 541626978 /nfs/dbraw/zinc/62/69/78/541626978.db2.gz RQNXWWSGGFMICL-LLVKDONJSA-N 1 2 251.374 2.809 20 70 CFIDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)Cc1cccnc1 ZINC000159923729 378738838 /nfs/dbraw/zinc/73/88/38/378738838.db2.gz MFDHADUDJKXYMP-RBSFLKMASA-N 1 2 289.423 2.691 20 70 CFIDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)Cc1cccnc1 ZINC000159923729 378738848 /nfs/dbraw/zinc/73/88/48/378738848.db2.gz MFDHADUDJKXYMP-RBSFLKMASA-N 1 2 289.423 2.691 20 70 CFIDLO CN(CCCn1cc[nH+]c1)c1nc(C(C)(C)C)ns1 ZINC000160013302 378744020 /nfs/dbraw/zinc/74/40/20/378744020.db2.gz DSTWJYHBTDQRKR-UHFFFAOYSA-N 1 2 279.413 2.559 20 70 CFIDLO CCCCc1nc(C[N@H+](CC)CCc2nccs2)no1 ZINC000159383773 378705462 /nfs/dbraw/zinc/70/54/62/378705462.db2.gz CTTDFTOKHTZELI-UHFFFAOYSA-N 1 2 294.424 2.933 20 70 CFIDLO CCCCc1nc(C[N@@H+](CC)CCc2nccs2)no1 ZINC000159383773 378705466 /nfs/dbraw/zinc/70/54/66/378705466.db2.gz CTTDFTOKHTZELI-UHFFFAOYSA-N 1 2 294.424 2.933 20 70 CFIDLO CCOc1ccc([NH2+][C@@H](C)CCn2cccn2)cc1CO ZINC000159423766 378708803 /nfs/dbraw/zinc/70/88/03/378708803.db2.gz PYXZIQXICATTFV-ZDUSSCGKSA-N 1 2 289.379 2.665 20 70 CFIDLO Cc1cnc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)o1 ZINC000159630244 378721438 /nfs/dbraw/zinc/72/14/38/378721438.db2.gz HUOLGJOOZXOCSJ-QGZVFWFLSA-N 1 2 284.359 2.657 20 70 CFIDLO Cc1cnc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)o1 ZINC000159630244 378721443 /nfs/dbraw/zinc/72/14/43/378721443.db2.gz HUOLGJOOZXOCSJ-QGZVFWFLSA-N 1 2 284.359 2.657 20 70 CFIDLO Cc1cnc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)o1 ZINC000159630375 378721457 /nfs/dbraw/zinc/72/14/57/378721457.db2.gz HUOLGJOOZXOCSJ-KRWDZBQOSA-N 1 2 284.359 2.657 20 70 CFIDLO Cc1cnc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)o1 ZINC000159630375 378721462 /nfs/dbraw/zinc/72/14/62/378721462.db2.gz HUOLGJOOZXOCSJ-KRWDZBQOSA-N 1 2 284.359 2.657 20 70 CFIDLO CN(c1cc[nH+]c(C2CC2)n1)[C@H](CCO)c1ccccc1 ZINC000160367632 378767203 /nfs/dbraw/zinc/76/72/03/378767203.db2.gz VYNIRBVVFMPFDQ-OAHLLOKOSA-N 1 2 283.375 2.914 20 70 CFIDLO CCc1nnc(C[NH2+][C@@H](CC)c2cc(F)ccc2F)[nH]1 ZINC000160461303 378774075 /nfs/dbraw/zinc/77/40/75/378774075.db2.gz XUUBTCISOGZOIT-LBPRGKRZSA-N 1 2 280.322 2.886 20 70 CFIDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1cccnc1 ZINC000160483637 378775982 /nfs/dbraw/zinc/77/59/82/378775982.db2.gz OIWMJURFOKAUKU-FMKPAKJESA-N 1 2 289.423 2.597 20 70 CFIDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1cccnc1 ZINC000160483637 378775989 /nfs/dbraw/zinc/77/59/89/378775989.db2.gz OIWMJURFOKAUKU-FMKPAKJESA-N 1 2 289.423 2.597 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(C)cc2)n1 ZINC000160522593 378779100 /nfs/dbraw/zinc/77/91/00/378779100.db2.gz VXQJXYFBCDFWKV-UHFFFAOYSA-N 1 2 271.364 2.685 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(C)cc2)n1 ZINC000160522593 378779108 /nfs/dbraw/zinc/77/91/08/378779108.db2.gz VXQJXYFBCDFWKV-UHFFFAOYSA-N 1 2 271.364 2.685 20 70 CFIDLO CCN(c1[nH+]cnc2c1cnn2C(C)(C)C)C(C)C ZINC000160734650 378794547 /nfs/dbraw/zinc/79/45/47/378794547.db2.gz RUCMETCKSLIRQB-UHFFFAOYSA-N 1 2 261.373 2.816 20 70 CFIDLO Cc1cc(N(C)CC2CCOCC2)nc(-c2cccnc2)[nH+]1 ZINC000161256732 378833872 /nfs/dbraw/zinc/83/38/72/378833872.db2.gz AKGUOBJOXBVUSN-UHFFFAOYSA-N 1 2 298.390 2.710 20 70 CFIDLO Cn1nncc1C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000161137754 378825096 /nfs/dbraw/zinc/82/50/96/378825096.db2.gz LWGFKCJADKYBCS-UHFFFAOYSA-N 1 2 285.178 2.754 20 70 CFIDLO Cn1nncc1C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000161137754 378825102 /nfs/dbraw/zinc/82/51/02/378825102.db2.gz LWGFKCJADKYBCS-UHFFFAOYSA-N 1 2 285.178 2.754 20 70 CFIDLO CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218072319 382788810 /nfs/dbraw/zinc/78/88/10/382788810.db2.gz QTTZUYFASSOTNU-HNNXBMFYSA-N 1 2 257.381 2.742 20 70 CFIDLO CCOCC[N@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000159671576 322326168 /nfs/dbraw/zinc/32/61/68/322326168.db2.gz QINSRPYKZHESGI-HNNXBMFYSA-N 1 2 279.380 2.649 20 70 CFIDLO CCOCC[N@@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000159671576 322326170 /nfs/dbraw/zinc/32/61/70/322326170.db2.gz QINSRPYKZHESGI-HNNXBMFYSA-N 1 2 279.380 2.649 20 70 CFIDLO c1cn(CCSc2ncnc3ccsc32)c[nH+]1 ZINC000159749596 322327246 /nfs/dbraw/zinc/32/72/46/322327246.db2.gz RHWMXOWJWIHINZ-UHFFFAOYSA-N 1 2 262.363 2.680 20 70 CFIDLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nncn2C)cc1 ZINC000160714127 322341839 /nfs/dbraw/zinc/34/18/39/322341839.db2.gz ZWGYEVUGLMNYLU-HNNXBMFYSA-N 1 2 286.379 2.551 20 70 CFIDLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nncn2C)cc1 ZINC000160714127 322341842 /nfs/dbraw/zinc/34/18/42/322341842.db2.gz ZWGYEVUGLMNYLU-HNNXBMFYSA-N 1 2 286.379 2.551 20 70 CFIDLO CC(C)(C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161019658 322345789 /nfs/dbraw/zinc/34/57/89/322345789.db2.gz PLLJXCLTYUJBMV-KBPBESRZSA-N 1 2 289.423 2.873 20 70 CFIDLO Cc1cc(C)cc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161481381 524459917 /nfs/dbraw/zinc/45/99/17/524459917.db2.gz BHCFGPDCMYACBS-CABCVRRESA-N 1 2 297.402 2.940 20 70 CFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(C3CC3)no2)n1 ZINC000160456078 524853340 /nfs/dbraw/zinc/85/33/40/524853340.db2.gz NYMKBMOIUWDPCW-AWEZNQCLSA-N 1 2 284.363 2.988 20 70 CFIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(C3CC3)no2)n1 ZINC000160456078 524853352 /nfs/dbraw/zinc/85/33/52/524853352.db2.gz NYMKBMOIUWDPCW-AWEZNQCLSA-N 1 2 284.363 2.988 20 70 CFIDLO Cc1[nH+]c2ccccn2c1CN(C)Cc1nccs1 ZINC000160925638 527176606 /nfs/dbraw/zinc/17/66/06/527176606.db2.gz RWCITCKWSGAMDB-UHFFFAOYSA-N 1 2 272.377 2.731 20 70 CFIDLO CCc1noc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160123151 541021660 /nfs/dbraw/zinc/02/16/60/541021660.db2.gz MMWCGPNTWZQKBJ-ZDUSSCGKSA-N 1 2 272.352 2.673 20 70 CFIDLO CCc1noc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160123151 541021662 /nfs/dbraw/zinc/02/16/62/541021662.db2.gz MMWCGPNTWZQKBJ-ZDUSSCGKSA-N 1 2 272.352 2.673 20 70 CFIDLO Cc1ccc(NC(=O)NCc2[nH+]ccn2CC(C)C)cn1 ZINC000161329187 541582790 /nfs/dbraw/zinc/58/27/90/541582790.db2.gz YYAAHERXURRJKJ-UHFFFAOYSA-N 1 2 287.367 2.564 20 70 CFIDLO CC(C)[N@@H+](Cc1noc(C2CCCCC2)n1)C[C@@H](C)O ZINC000160070460 378746890 /nfs/dbraw/zinc/74/68/90/378746890.db2.gz QEPBIAFGGDZNPW-GFCCVEGCSA-N 1 2 281.400 2.709 20 70 CFIDLO CC(C)[N@H+](Cc1noc(C2CCCCC2)n1)C[C@@H](C)O ZINC000160070460 378746894 /nfs/dbraw/zinc/74/68/94/378746894.db2.gz QEPBIAFGGDZNPW-GFCCVEGCSA-N 1 2 281.400 2.709 20 70 CFIDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@H+](C)Cc1cccnc1 ZINC000160484049 378776441 /nfs/dbraw/zinc/77/64/41/378776441.db2.gz OIWMJURFOKAUKU-SQWLQELKSA-N 1 2 289.423 2.597 20 70 CFIDLO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+](C)Cc1cccnc1 ZINC000160484049 378776447 /nfs/dbraw/zinc/77/64/47/378776447.db2.gz OIWMJURFOKAUKU-SQWLQELKSA-N 1 2 289.423 2.597 20 70 CFIDLO O[C@]12CCCC[C@@H]1CN(c1[nH]c3ccccc3[nH+]1)CC2 ZINC000160640038 378787768 /nfs/dbraw/zinc/78/77/68/378787768.db2.gz ZALAHVJMJZSPSV-WBMJQRKESA-N 1 2 271.364 2.694 20 70 CFIDLO CO[C@H](C)c1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000161481067 378851544 /nfs/dbraw/zinc/85/15/44/378851544.db2.gz VDMCFTMPTWVBLH-SNVBAGLBSA-N 1 2 272.439 2.789 20 70 CFIDLO CO[C@H](C)c1nc(C[N@H+]2CCCSCC2)cs1 ZINC000161481067 378851550 /nfs/dbraw/zinc/85/15/50/378851550.db2.gz VDMCFTMPTWVBLH-SNVBAGLBSA-N 1 2 272.439 2.789 20 70 CFIDLO CC[C@@H](OC1CCCCC1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000159813438 322328590 /nfs/dbraw/zinc/32/85/90/322328590.db2.gz NHXUURVEQNOBQM-CQSZACIVSA-N 1 2 293.411 2.506 20 70 CFIDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1nccs1 ZINC000161134520 322347458 /nfs/dbraw/zinc/34/74/58/322347458.db2.gz UPCVTFKHFTUCBG-IUCAKERBSA-N 1 2 296.421 2.668 20 70 CFIDLO COC(=O)c1cccc(CNc2cc[nH+]c(C(C)C)n2)c1 ZINC000161296807 322349909 /nfs/dbraw/zinc/34/99/09/322349909.db2.gz AFDYFRXQDPPPNH-UHFFFAOYSA-N 1 2 285.347 2.999 20 70 CFIDLO CC(C)(C)NC(=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000160206195 518750951 /nfs/dbraw/zinc/75/09/51/518750951.db2.gz HTNCIIQCWUCRCS-UHFFFAOYSA-N 1 2 272.352 2.550 20 70 CFIDLO CC[C@H]1CCCCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000160811186 522995828 /nfs/dbraw/zinc/99/58/28/522995828.db2.gz MRJMFINHUCPFJD-KGLIPLIRSA-N 1 2 278.400 2.636 20 70 CFIDLO Cc1cccc([C@H](C)C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000159836884 524860067 /nfs/dbraw/zinc/86/00/67/524860067.db2.gz BAOKYVXZMAFZDZ-AWEZNQCLSA-N 1 2 297.402 2.876 20 70 CFIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)OC(C)(C)C)n1 ZINC000160021367 524895062 /nfs/dbraw/zinc/89/50/62/524895062.db2.gz LEHBUQRXUXWNTR-CQSZACIVSA-N 1 2 276.380 2.869 20 70 CFIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)OC(C)(C)C)n1 ZINC000160021367 524895067 /nfs/dbraw/zinc/89/50/67/524895067.db2.gz LEHBUQRXUXWNTR-CQSZACIVSA-N 1 2 276.380 2.869 20 70 CFIDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)NC(C)(C)C ZINC000159725860 525528450 /nfs/dbraw/zinc/52/84/50/525528450.db2.gz AHTJYKDTLRMMKP-UWVGGRQHSA-N 1 2 284.350 2.919 20 70 CFIDLO CN(C)c1nc(C[N@H+](C2CC2)C2CCCC2)ns1 ZINC000160083843 348016094 /nfs/dbraw/zinc/01/60/94/348016094.db2.gz ZEFQMNNSXGKTFS-UHFFFAOYSA-N 1 2 266.414 2.511 20 70 CFIDLO CN(C)c1nc(C[N@@H+](C2CC2)C2CCCC2)ns1 ZINC000160083843 348016096 /nfs/dbraw/zinc/01/60/96/348016096.db2.gz ZEFQMNNSXGKTFS-UHFFFAOYSA-N 1 2 266.414 2.511 20 70 CFIDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nccn1C ZINC000160743986 348020339 /nfs/dbraw/zinc/02/03/39/348020339.db2.gz LEURIABINGUIFK-SNVBAGLBSA-N 1 2 265.307 2.891 20 70 CFIDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nccn1C ZINC000160743986 348020343 /nfs/dbraw/zinc/02/03/43/348020343.db2.gz LEURIABINGUIFK-SNVBAGLBSA-N 1 2 265.307 2.891 20 70 CFIDLO C[C@H](c1ccc(F)c(F)c1)N(C)Cc1[nH+]ccn1C ZINC000160743986 348020345 /nfs/dbraw/zinc/02/03/45/348020345.db2.gz LEURIABINGUIFK-SNVBAGLBSA-N 1 2 265.307 2.891 20 70 CFIDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nccn1C ZINC000160743846 348020420 /nfs/dbraw/zinc/02/04/20/348020420.db2.gz LEURIABINGUIFK-JTQLQIEISA-N 1 2 265.307 2.891 20 70 CFIDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nccn1C ZINC000160743846 348020422 /nfs/dbraw/zinc/02/04/22/348020422.db2.gz LEURIABINGUIFK-JTQLQIEISA-N 1 2 265.307 2.891 20 70 CFIDLO C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1[nH+]ccn1C ZINC000160743846 348020424 /nfs/dbraw/zinc/02/04/24/348020424.db2.gz LEURIABINGUIFK-JTQLQIEISA-N 1 2 265.307 2.891 20 70 CFIDLO CCCn1nccc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000160029159 540667447 /nfs/dbraw/zinc/66/74/47/540667447.db2.gz RCXCMUOCMCNEIJ-UHFFFAOYSA-N 1 2 285.395 2.900 20 70 CFIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NC2CC=CC2)c1 ZINC000159985869 541019546 /nfs/dbraw/zinc/01/95/46/541019546.db2.gz POUXKVGIBQRNKG-UHFFFAOYSA-N 1 2 282.347 2.927 20 70 CFIDLO CC(C)c1nc(N[C@H](CO)CC(C)(C)C)cc[nH+]1 ZINC000161404898 541626749 /nfs/dbraw/zinc/62/67/49/541626749.db2.gz RQNXWWSGGFMICL-NSHDSACASA-N 1 2 251.374 2.809 20 70 CFIDLO Cc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159718668 378726430 /nfs/dbraw/zinc/72/64/30/378726430.db2.gz KHAQEWTUGSNFCV-HNNXBMFYSA-N 1 2 296.374 2.790 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@H](C)c2cccs2)n1 ZINC000160880285 378805953 /nfs/dbraw/zinc/80/59/53/378805953.db2.gz ZLIZWYCUFWNHFM-SNVBAGLBSA-N 1 2 277.393 2.999 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@H](C)c2cccs2)n1 ZINC000160880285 378805960 /nfs/dbraw/zinc/80/59/60/378805960.db2.gz ZLIZWYCUFWNHFM-SNVBAGLBSA-N 1 2 277.393 2.999 20 70 CFIDLO CC[C@H](O)CN(Cc1ccccc1)c1cc(C)[nH+]cn1 ZINC000161020099 378815809 /nfs/dbraw/zinc/81/58/09/378815809.db2.gz WUBKLALZOPWERB-HNNXBMFYSA-N 1 2 271.364 2.563 20 70 CFIDLO CCOc1ccc([NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161076807 378819869 /nfs/dbraw/zinc/81/98/69/378819869.db2.gz RMWVDAQYFGQOEP-UHFFFAOYSA-N 1 2 276.380 2.945 20 70 CFIDLO COc1ccc([NH2+]C2CCC(NC(C)=O)CC2)c(C)c1 ZINC000161134843 378825165 /nfs/dbraw/zinc/82/51/65/378825165.db2.gz FHDLSBBPTDDKJP-UHFFFAOYSA-N 1 2 276.380 2.863 20 70 CFIDLO CC(C)c1nc(N[C@@H](C)CC2CC2)nc(N(C)C)[nH+]1 ZINC000159729449 322327384 /nfs/dbraw/zinc/32/73/84/322327384.db2.gz FDRCELPCYPKSAC-JTQLQIEISA-N 1 2 263.389 2.662 20 70 CFIDLO CCc1oc2ccccc2c1C[NH2+]Cc1nncn1CC ZINC000218221724 382789262 /nfs/dbraw/zinc/78/92/62/382789262.db2.gz LMTURELZVWKOGG-UHFFFAOYSA-N 1 2 284.363 2.896 20 70 CFIDLO CC(C)c1nc(N(C)C)nc(N[C@@H](C)CC2CC2)[nH+]1 ZINC000159729449 322327382 /nfs/dbraw/zinc/32/73/82/322327382.db2.gz FDRCELPCYPKSAC-JTQLQIEISA-N 1 2 263.389 2.662 20 70 CFIDLO CC[N@H+](CCCNC(=O)C(C)(C)COC)c1ccccc1 ZINC000160406280 322337557 /nfs/dbraw/zinc/33/75/57/322337557.db2.gz AVWNQRDHDYKTAO-UHFFFAOYSA-N 1 2 292.423 2.692 20 70 CFIDLO CC[N@@H+](CCCNC(=O)C(C)(C)COC)c1ccccc1 ZINC000160406280 322337558 /nfs/dbraw/zinc/33/75/58/322337558.db2.gz AVWNQRDHDYKTAO-UHFFFAOYSA-N 1 2 292.423 2.692 20 70 CFIDLO Cn1cnnc1C[N@H+](C)Cc1cccc2ccccc21 ZINC000160801654 322343318 /nfs/dbraw/zinc/34/33/18/322343318.db2.gz FWBGIKSMIWCJFZ-UHFFFAOYSA-N 1 2 266.348 2.600 20 70 CFIDLO Cn1cnnc1C[N@@H+](C)Cc1cccc2ccccc21 ZINC000160801654 322343319 /nfs/dbraw/zinc/34/33/19/322343319.db2.gz FWBGIKSMIWCJFZ-UHFFFAOYSA-N 1 2 266.348 2.600 20 70 CFIDLO CCCOc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000159775673 520462268 /nfs/dbraw/zinc/46/22/68/520462268.db2.gz QJRICFKTPBDEEY-ZDUSSCGKSA-N 1 2 299.374 2.873 20 70 CFIDLO Fc1ccccc1[C@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000160366998 534534153 /nfs/dbraw/zinc/53/41/53/534534153.db2.gz LKIXVCLHSXEPBO-MRXNPFEDSA-N 1 2 279.355 2.626 20 70 CFIDLO Fc1ccccc1[C@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000160366998 534534158 /nfs/dbraw/zinc/53/41/58/534534158.db2.gz LKIXVCLHSXEPBO-MRXNPFEDSA-N 1 2 279.355 2.626 20 70 CFIDLO CCS[C@H](C)c1noc(C[N@@H+]2CCCSCC2)n1 ZINC000161482207 521729170 /nfs/dbraw/zinc/72/91/70/521729170.db2.gz ZGRGJSMXSUTWHF-SNVBAGLBSA-N 1 2 287.454 2.823 20 70 CFIDLO CCS[C@H](C)c1noc(C[N@H+]2CCCSCC2)n1 ZINC000161482207 521729172 /nfs/dbraw/zinc/72/91/72/521729172.db2.gz ZGRGJSMXSUTWHF-SNVBAGLBSA-N 1 2 287.454 2.823 20 70 CFIDLO CCc1ccc(CC(=O)NCc2ccc[nH+]c2N(C)C)cc1 ZINC000160480103 523909311 /nfs/dbraw/zinc/90/93/11/523909311.db2.gz QTALGRGNZVXACS-UHFFFAOYSA-N 1 2 297.402 2.569 20 70 CFIDLO Cc1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159381184 525908659 /nfs/dbraw/zinc/90/86/59/525908659.db2.gz RUTLTASGOGBTLL-ZFWWWQNUSA-N 1 2 283.375 2.631 20 70 CFIDLO O=C(Nc1cccc2[nH]ccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161130895 527377229 /nfs/dbraw/zinc/37/72/29/527377229.db2.gz XQIVHAJCRWFCGC-LLVKDONJSA-N 1 2 280.331 2.566 20 70 CFIDLO CCCCN1CCc2ccc(NC(=O)Cn3cc[nH+]c3)cc21 ZINC000160961948 348022181 /nfs/dbraw/zinc/02/21/81/348022181.db2.gz IGLOBNDVKRMVBL-UHFFFAOYSA-N 1 2 298.390 2.684 20 70 CFIDLO Cc1cc(N)nc(SCC(=O)CCC2CCCC2)[nH+]1 ZINC000160049601 378744908 /nfs/dbraw/zinc/74/49/08/378744908.db2.gz VGMQNLHDECWZPI-UHFFFAOYSA-N 1 2 279.409 2.999 20 70 CFIDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000159556909 378716988 /nfs/dbraw/zinc/71/69/88/378716988.db2.gz GTNBIFCBCNOJMP-GFCCVEGCSA-N 1 2 287.190 2.704 20 70 CFIDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000159556909 378716998 /nfs/dbraw/zinc/71/69/98/378716998.db2.gz GTNBIFCBCNOJMP-GFCCVEGCSA-N 1 2 287.190 2.704 20 70 CFIDLO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000159726810 378727359 /nfs/dbraw/zinc/72/73/59/378727359.db2.gz FDVRCHFKPCRMTN-MNOVXSKESA-N 1 2 284.350 2.776 20 70 CFIDLO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000159726406 378727835 /nfs/dbraw/zinc/72/78/35/378727835.db2.gz FDVRCHFKPCRMTN-WDEREUQCSA-N 1 2 284.350 2.776 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccccc2C)n1 ZINC000160521614 378779036 /nfs/dbraw/zinc/77/90/36/378779036.db2.gz VDMKNOKCXBXWCI-UHFFFAOYSA-N 1 2 271.364 2.685 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccccc2C)n1 ZINC000160521614 378779050 /nfs/dbraw/zinc/77/90/50/378779050.db2.gz VDMKNOKCXBXWCI-UHFFFAOYSA-N 1 2 271.364 2.685 20 70 CFIDLO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1nnc2n1CCC2 ZINC000160886631 378807129 /nfs/dbraw/zinc/80/71/29/378807129.db2.gz OHPHEFBTOFSFHF-VIFPVBQESA-N 1 2 294.761 2.868 20 70 CFIDLO Cc1noc([C@@H]2COCC[N@H+]2CC2CCC(C)CC2)n1 ZINC000161024221 378816845 /nfs/dbraw/zinc/81/68/45/378816845.db2.gz FFCYZLRAGSWXPP-UBHUBRDASA-N 1 2 279.384 2.578 20 70 CFIDLO Cc1noc([C@@H]2COCC[N@@H+]2CC2CCC(C)CC2)n1 ZINC000161024221 378816850 /nfs/dbraw/zinc/81/68/50/378816850.db2.gz FFCYZLRAGSWXPP-UBHUBRDASA-N 1 2 279.384 2.578 20 70 CFIDLO CO[C@@H](C)c1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161170339 378827613 /nfs/dbraw/zinc/82/76/13/378827613.db2.gz XFHJOAQDTYYEQO-JSGCOSHPSA-N 1 2 299.374 2.792 20 70 CFIDLO COC(=O)[C@H](CC(C)C)[NH2+]C/C=C\c1ccccc1 ZINC000218757294 280932934 /nfs/dbraw/zinc/93/29/34/280932934.db2.gz LTJJSKYZZPJVAQ-XMELGKRDSA-N 1 2 261.365 2.877 20 70 CFIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000159656080 322326284 /nfs/dbraw/zinc/32/62/84/322326284.db2.gz BSZCNBYJAYNSES-LRDDRELGSA-N 1 2 297.358 2.816 20 70 CFIDLO CC[N@H+](Cc1ccc(C)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159886341 322330006 /nfs/dbraw/zinc/33/00/06/322330006.db2.gz FMLZSWYDCCMVED-UHFFFAOYSA-N 1 2 297.358 2.847 20 70 CFIDLO CC[N@@H+](Cc1ccc(C)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159886341 322330009 /nfs/dbraw/zinc/33/00/09/322330009.db2.gz FMLZSWYDCCMVED-UHFFFAOYSA-N 1 2 297.358 2.847 20 70 CFIDLO CCCCc1noc([C@@H](C)SCC[NH+]2CCOCC2)n1 ZINC000160011918 322331425 /nfs/dbraw/zinc/33/14/25/322331425.db2.gz IAWJMKSZQKINFO-GFCCVEGCSA-N 1 2 299.440 2.539 20 70 CFIDLO CCn1ccnc1C[N@H+](CCOC)Cc1ccccc1 ZINC000160685551 322341198 /nfs/dbraw/zinc/34/11/98/322341198.db2.gz GJEILXVTONFQSW-UHFFFAOYSA-N 1 2 273.380 2.552 20 70 CFIDLO CCn1ccnc1C[N@@H+](CCOC)Cc1ccccc1 ZINC000160685551 322341200 /nfs/dbraw/zinc/34/12/00/322341200.db2.gz GJEILXVTONFQSW-UHFFFAOYSA-N 1 2 273.380 2.552 20 70 CFIDLO COCCN(CC(C)C)c1cc[nH+]c(C(C)C)n1 ZINC000160912126 322344898 /nfs/dbraw/zinc/34/48/98/322344898.db2.gz AMLRTOGLBPDXCK-UHFFFAOYSA-N 1 2 251.374 2.709 20 70 CFIDLO COc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000161367961 322350682 /nfs/dbraw/zinc/35/06/82/322350682.db2.gz IUEWRASOCABBSL-UHFFFAOYSA-N 1 2 287.363 2.946 20 70 CFIDLO CCO[C@@H](C)c1nccn1Cc1[nH+]ccn1C(F)F ZINC000161457201 322352123 /nfs/dbraw/zinc/35/21/23/322352123.db2.gz ODCUGMHBYHSZBI-VIFPVBQESA-N 1 2 270.283 2.621 20 70 CFIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000159991463 520218865 /nfs/dbraw/zinc/21/88/65/520218865.db2.gz GTSRUHUUINOYSV-LBPRGKRZSA-N 1 2 296.436 2.973 20 70 CFIDLO CCCCOC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159861096 520708021 /nfs/dbraw/zinc/70/80/21/520708021.db2.gz UAAHAXYCWNDXBB-HNNXBMFYSA-N 1 2 276.380 2.870 20 70 CFIDLO CCCCOC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159861096 520708033 /nfs/dbraw/zinc/70/80/33/520708033.db2.gz UAAHAXYCWNDXBB-HNNXBMFYSA-N 1 2 276.380 2.870 20 70 CFIDLO Fc1ccccc1[C@@H]1C[N@H+](CCOCC2CC2)CCO1 ZINC000160366872 534532754 /nfs/dbraw/zinc/53/27/54/534532754.db2.gz LKIXVCLHSXEPBO-INIZCTEOSA-N 1 2 279.355 2.626 20 70 CFIDLO Fc1ccccc1[C@@H]1C[N@@H+](CCOCC2CC2)CCO1 ZINC000160366872 534532759 /nfs/dbraw/zinc/53/27/59/534532759.db2.gz LKIXVCLHSXEPBO-INIZCTEOSA-N 1 2 279.355 2.626 20 70 CFIDLO Cc1cc(C)c(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000159405657 524267742 /nfs/dbraw/zinc/26/77/42/524267742.db2.gz DWZGNUKGCLFGSI-HNNXBMFYSA-N 1 2 297.402 2.687 20 70 CFIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cn3cccnc3n2)n1 ZINC000160004368 524896423 /nfs/dbraw/zinc/89/64/23/524896423.db2.gz VZVCOWXZCSSKRG-MRXNPFEDSA-N 1 2 293.374 2.770 20 70 CFIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cn3cccnc3n2)n1 ZINC000160004368 524896432 /nfs/dbraw/zinc/89/64/32/524896432.db2.gz VZVCOWXZCSSKRG-MRXNPFEDSA-N 1 2 293.374 2.770 20 70 CFIDLO CC[N@H+](CCCNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000160226410 378758018 /nfs/dbraw/zinc/75/80/18/378758018.db2.gz LDKIEZIBBPWZFQ-MRXNPFEDSA-N 1 2 290.407 2.588 20 70 CFIDLO CC[N@@H+](CCCNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000160226410 378758031 /nfs/dbraw/zinc/75/80/31/378758031.db2.gz LDKIEZIBBPWZFQ-MRXNPFEDSA-N 1 2 290.407 2.588 20 70 CFIDLO Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)c[nH+]1 ZINC000160196061 378753609 /nfs/dbraw/zinc/75/36/09/378753609.db2.gz WJXMWAQRWYVNCZ-UHFFFAOYSA-N 1 2 271.364 2.675 20 70 CFIDLO Cn1nccc1C[N@H+](C)Cc1ccccc1Br ZINC000160383536 378767746 /nfs/dbraw/zinc/76/77/46/378767746.db2.gz XDIFZIDFJUJQTQ-UHFFFAOYSA-N 1 2 294.196 2.815 20 70 CFIDLO Cn1nccc1C[N@@H+](C)Cc1ccccc1Br ZINC000160383536 378767751 /nfs/dbraw/zinc/76/77/51/378767751.db2.gz XDIFZIDFJUJQTQ-UHFFFAOYSA-N 1 2 294.196 2.815 20 70 CFIDLO CCc1nnc(C[NH2+][C@@H](CC)c2ccc(F)cc2F)[nH]1 ZINC000160451773 378773759 /nfs/dbraw/zinc/77/37/59/378773759.db2.gz CEXVSOVNKGDWJF-LBPRGKRZSA-N 1 2 280.322 2.886 20 70 CFIDLO CC[C@@H](O)CN(Cc1ccccc1)c1cc[nH+]c(C)n1 ZINC000161012706 378815034 /nfs/dbraw/zinc/81/50/34/378815034.db2.gz JIKVIKHABZYWDQ-OAHLLOKOSA-N 1 2 271.364 2.563 20 70 CFIDLO CO[C@H](C)c1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161170197 378827708 /nfs/dbraw/zinc/82/77/08/378827708.db2.gz XFHJOAQDTYYEQO-TZMCWYRMSA-N 1 2 299.374 2.792 20 70 CFIDLO Cc1[nH]ncc1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000161165362 378828200 /nfs/dbraw/zinc/82/82/00/378828200.db2.gz CFKWWWWZMBAMLF-UHFFFAOYSA-N 1 2 279.771 2.882 20 70 CFIDLO Cc1[nH]ncc1C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000161165362 378828203 /nfs/dbraw/zinc/82/82/03/378828203.db2.gz CFKWWWWZMBAMLF-UHFFFAOYSA-N 1 2 279.771 2.882 20 70 CFIDLO CCn1cnnc1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000218229238 382789968 /nfs/dbraw/zinc/78/99/68/382789968.db2.gz WIQJXBRKAQWAOY-UHFFFAOYSA-N 1 2 284.285 2.607 20 70 CFIDLO CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000159961819 322330781 /nfs/dbraw/zinc/33/07/81/322330781.db2.gz SCTNUEUCCLNDSL-ZDUSSCGKSA-N 1 2 277.412 2.985 20 70 CFIDLO CCCn1c(C)nnc1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000159977601 322330875 /nfs/dbraw/zinc/33/08/75/322330875.db2.gz FTMFQNGYZRGBQB-ZDUSSCGKSA-N 1 2 282.457 2.570 20 70 CFIDLO CCCn1c(C)nnc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000159977601 322330876 /nfs/dbraw/zinc/33/08/76/322330876.db2.gz FTMFQNGYZRGBQB-ZDUSSCGKSA-N 1 2 282.457 2.570 20 70 CFIDLO Cc1ccc(-c2ccc(C[N@@H+]3CCNC(=O)C3)s2)cc1 ZINC000160507878 322339007 /nfs/dbraw/zinc/33/90/07/322339007.db2.gz UPHVKPFJPRUHOF-UHFFFAOYSA-N 1 2 286.400 2.655 20 70 CFIDLO Cc1ccc(-c2ccc(C[N@H+]3CCNC(=O)C3)s2)cc1 ZINC000160507878 322339011 /nfs/dbraw/zinc/33/90/11/322339011.db2.gz UPHVKPFJPRUHOF-UHFFFAOYSA-N 1 2 286.400 2.655 20 70 CFIDLO CCc1ccc(C[N@H+](Cc2nncn2C)C2CC2)cc1 ZINC000160784825 322342900 /nfs/dbraw/zinc/34/29/00/322342900.db2.gz ATSQBQCXUTYUCL-UHFFFAOYSA-N 1 2 270.380 2.542 20 70 CFIDLO CCc1ccc(C[N@@H+](Cc2nncn2C)C2CC2)cc1 ZINC000160784825 322342901 /nfs/dbraw/zinc/34/29/01/322342901.db2.gz ATSQBQCXUTYUCL-UHFFFAOYSA-N 1 2 270.380 2.542 20 70 CFIDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nncn1C ZINC000160814554 322343489 /nfs/dbraw/zinc/34/34/89/322343489.db2.gz KQFDOPRNNRXUDC-JTQLQIEISA-N 1 2 264.760 2.662 20 70 CFIDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nncn1C ZINC000160814554 322343492 /nfs/dbraw/zinc/34/34/92/322343492.db2.gz KQFDOPRNNRXUDC-JTQLQIEISA-N 1 2 264.760 2.662 20 70 CFIDLO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000160817261 322343679 /nfs/dbraw/zinc/34/36/79/322343679.db2.gz OULIVONPLAUHRW-ZDUSSCGKSA-N 1 2 276.771 2.806 20 70 CFIDLO Cn1cnnc1C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000160817261 322343683 /nfs/dbraw/zinc/34/36/83/322343683.db2.gz OULIVONPLAUHRW-ZDUSSCGKSA-N 1 2 276.771 2.806 20 70 CFIDLO Cc1cc(C)c(C[N@@H+](C)Cc2nccn2C)c(C)c1 ZINC000160867619 322344111 /nfs/dbraw/zinc/34/41/11/322344111.db2.gz LQVXVUOHCANGHY-UHFFFAOYSA-N 1 2 257.381 2.977 20 70 CFIDLO Cc1cc(C)c(C[N@H+](C)Cc2nccn2C)c(C)c1 ZINC000160867619 322344114 /nfs/dbraw/zinc/34/41/14/322344114.db2.gz LQVXVUOHCANGHY-UHFFFAOYSA-N 1 2 257.381 2.977 20 70 CFIDLO CCn1cc[nH+]c1CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000160850661 523534733 /nfs/dbraw/zinc/53/47/33/523534733.db2.gz FYUOQVVRVWMFBW-HOCLYGCPSA-N 1 2 285.391 2.865 20 70 CFIDLO Cc1ocnc1CNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000159615972 526842134 /nfs/dbraw/zinc/84/21/34/526842134.db2.gz HVNOHSVRWSZGTJ-UHFFFAOYSA-N 1 2 281.319 2.756 20 70 CFIDLO COc1ccc([C@H](C)[N@H+](C)Cc2nccn2C)cc1 ZINC000160748881 232249493 /nfs/dbraw/zinc/24/94/93/232249493.db2.gz GKHUWFJEFPOBPG-LBPRGKRZSA-N 1 2 259.353 2.622 20 70 CFIDLO COc1ccc([C@H](C)[N@@H+](C)Cc2nccn2C)cc1 ZINC000160748881 232249495 /nfs/dbraw/zinc/24/94/95/232249495.db2.gz GKHUWFJEFPOBPG-LBPRGKRZSA-N 1 2 259.353 2.622 20 70 CFIDLO CC[C@@H](CC(=O)NCc1[nH]cc[nH+]1)c1ccc(C)cc1 ZINC000159861567 348015195 /nfs/dbraw/zinc/01/51/95/348015195.db2.gz XAZLVHYGENBEMQ-ZDUSSCGKSA-N 1 2 271.364 2.918 20 70 CFIDLO O=C(CCCSCC[NH+]1CCOCC1)c1ccccc1 ZINC000159880435 378736076 /nfs/dbraw/zinc/73/60/76/378736076.db2.gz APOPBPPTZKAIHV-UHFFFAOYSA-N 1 2 293.432 2.715 20 70 CFIDLO CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000160020802 378743877 /nfs/dbraw/zinc/74/38/77/378743877.db2.gz YFRILODACGUORX-INIZCTEOSA-N 1 2 288.435 2.841 20 70 CFIDLO CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000160020802 378743882 /nfs/dbraw/zinc/74/38/82/378743882.db2.gz YFRILODACGUORX-INIZCTEOSA-N 1 2 288.435 2.841 20 70 CFIDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1cccnc1 ZINC000159453314 378710330 /nfs/dbraw/zinc/71/03/30/378710330.db2.gz OSIFLQDUQNCBPU-CQSZACIVSA-N 1 2 289.423 2.598 20 70 CFIDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1cccnc1 ZINC000159453314 378710334 /nfs/dbraw/zinc/71/03/34/378710334.db2.gz OSIFLQDUQNCBPU-CQSZACIVSA-N 1 2 289.423 2.598 20 70 CFIDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159659877 378723285 /nfs/dbraw/zinc/72/32/85/378723285.db2.gz JMZQAZHMBGNOKB-CYBMUJFWSA-N 1 2 272.314 2.875 20 70 CFIDLO CCc1nnc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)[nH]1 ZINC000160280932 378760777 /nfs/dbraw/zinc/76/07/77/378760777.db2.gz VJBZZYSXISIAED-NSHDSACASA-N 1 2 274.368 2.535 20 70 CFIDLO Nc1nc(N[C@H]2CCO[C@@H](C3CC3)C2)[nH+]c2ccccc12 ZINC000160391853 378768977 /nfs/dbraw/zinc/76/89/77/378768977.db2.gz USGURHLWIMYUJM-SMDDNHRTSA-N 1 2 284.363 2.582 20 70 CFIDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)o1 ZINC000160795088 378800682 /nfs/dbraw/zinc/80/06/82/378800682.db2.gz VNUHEQJWYJRUTL-VXGBXAGGSA-N 1 2 297.362 2.976 20 70 CFIDLO CCC(=O)c1cccc(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000160724231 378793194 /nfs/dbraw/zinc/79/31/94/378793194.db2.gz GARAUQPXTVOWBZ-UHFFFAOYSA-N 1 2 288.391 2.950 20 70 CFIDLO Cc1nc(NCCCC(=O)OC(C)C)c2c([nH+]1)CCCC2 ZINC000160258428 378758786 /nfs/dbraw/zinc/75/87/86/378758786.db2.gz QOFPWAOIBQIZKY-UHFFFAOYSA-N 1 2 291.395 2.808 20 70 CFIDLO C[C@@H]1CCC[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000161281743 378835398 /nfs/dbraw/zinc/83/53/98/378835398.db2.gz ADZJYZGFBHAASG-MNOVXSKESA-N 1 2 293.436 2.896 20 70 CFIDLO C[C@@H]1CCC[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000161281743 378835402 /nfs/dbraw/zinc/83/54/02/378835402.db2.gz ADZJYZGFBHAASG-MNOVXSKESA-N 1 2 293.436 2.896 20 70 CFIDLO CCCC[C@@H](COC)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000159882972 322329975 /nfs/dbraw/zinc/32/99/75/322329975.db2.gz QMOPVWXFYBIDSU-LBPRGKRZSA-N 1 2 295.431 2.678 20 70 CFIDLO CCCC[C@@H](COC)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000159882972 322329976 /nfs/dbraw/zinc/32/99/76/322329976.db2.gz QMOPVWXFYBIDSU-LBPRGKRZSA-N 1 2 295.431 2.678 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@H+](CC)Cc2cccc(F)c2)n1 ZINC000160563034 322339420 /nfs/dbraw/zinc/33/94/20/322339420.db2.gz QGFBOUKLSXAVFM-UHFFFAOYSA-N 1 2 289.354 2.906 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@@H+](CC)Cc2cccc(F)c2)n1 ZINC000160563034 322339421 /nfs/dbraw/zinc/33/94/21/322339421.db2.gz QGFBOUKLSXAVFM-UHFFFAOYSA-N 1 2 289.354 2.906 20 70 CFIDLO CC[C@@]1(C)C[C@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160831463 322343380 /nfs/dbraw/zinc/34/33/80/322343380.db2.gz OTZCYQUDIMTLHF-YOEHRIQHSA-N 1 2 287.407 2.734 20 70 CFIDLO CN(Cc1c[nH+]c2ccccn12)Cc1nccn1C(F)F ZINC000160812851 322343801 /nfs/dbraw/zinc/34/38/01/322343801.db2.gz AVWSRBOEHYOXED-UHFFFAOYSA-N 1 2 291.305 2.558 20 70 CFIDLO CCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000160146882 521105100 /nfs/dbraw/zinc/10/51/00/521105100.db2.gz PLGZNWZVJNZGCV-CYBMUJFWSA-N 1 2 299.374 2.791 20 70 CFIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)[nH]1 ZINC000160492663 522353337 /nfs/dbraw/zinc/35/33/37/522353337.db2.gz CPFZIUHQUIYKKU-SNVBAGLBSA-N 1 2 262.332 2.665 20 70 CFIDLO C[C@@H]1CCC[C@@H](C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000160484093 524267156 /nfs/dbraw/zinc/26/71/56/524267156.db2.gz SSIASSVHJXFIRD-CHWSQXEVSA-N 1 2 275.396 2.590 20 70 CFIDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cncnc1 ZINC000160735822 541457007 /nfs/dbraw/zinc/45/70/07/541457007.db2.gz DKOUMRAQGBHCQR-UHFFFAOYSA-N 1 2 298.390 2.636 20 70 CFIDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cncnc1 ZINC000160735822 541457013 /nfs/dbraw/zinc/45/70/13/541457013.db2.gz DKOUMRAQGBHCQR-UHFFFAOYSA-N 1 2 298.390 2.636 20 70 CFIDLO Cc1cc2[nH+]cn(CCn3ccccc3=O)c2cc1C ZINC000161420953 541629599 /nfs/dbraw/zinc/62/95/99/541629599.db2.gz HCYKCTVODPTOCB-UHFFFAOYSA-N 1 2 267.332 2.515 20 70 CFIDLO c1cc(N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)nc(C2CC2)[nH+]1 ZINC000160020275 378744011 /nfs/dbraw/zinc/74/40/11/378744011.db2.gz NUVLRSYWCFRKGW-XBFCOCLRSA-N 1 2 271.364 2.724 20 70 CFIDLO C[C@H](CCn1cccn1)[NH2+]c1ccc(N(C)C)cc1 ZINC000159387080 378707602 /nfs/dbraw/zinc/70/76/02/378707602.db2.gz RPWZFVVTHWZBLE-CYBMUJFWSA-N 1 2 258.369 2.840 20 70 CFIDLO C[C@H](CCn1cccn1)Nc1ccc([NH+](C)C)cc1 ZINC000159387080 378707608 /nfs/dbraw/zinc/70/76/08/378707608.db2.gz RPWZFVVTHWZBLE-CYBMUJFWSA-N 1 2 258.369 2.840 20 70 CFIDLO CC[N@H+](CCc1nccs1)Cc1nc(C(C)(C)C)no1 ZINC000159438065 378709176 /nfs/dbraw/zinc/70/91/76/378709176.db2.gz AWBAURXWZQHWRJ-UHFFFAOYSA-N 1 2 294.424 2.888 20 70 CFIDLO CC[N@@H+](CCc1nccs1)Cc1nc(C(C)(C)C)no1 ZINC000159438065 378709184 /nfs/dbraw/zinc/70/91/84/378709184.db2.gz AWBAURXWZQHWRJ-UHFFFAOYSA-N 1 2 294.424 2.888 20 70 CFIDLO Cc1cc(NC(=O)[C@H]2OCCc3ccccc32)cc[nH+]1 ZINC000159801619 378730661 /nfs/dbraw/zinc/73/06/61/378730661.db2.gz RWAKODFBZQBULZ-HNNXBMFYSA-N 1 2 268.316 2.643 20 70 CFIDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccco1 ZINC000160330093 378763688 /nfs/dbraw/zinc/76/36/88/378763688.db2.gz ANSBXLJRZVWJKW-UHFFFAOYSA-N 1 2 285.351 2.829 20 70 CFIDLO c1cc(NCc2nnc(C3CC3)n2C2CC2)nc(C2CC2)[nH+]1 ZINC000160335364 378764237 /nfs/dbraw/zinc/76/42/37/378764237.db2.gz GPGBCUNVFDNEBA-UHFFFAOYSA-N 1 2 296.378 2.770 20 70 CFIDLO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(C)o2)o1 ZINC000160872932 378805826 /nfs/dbraw/zinc/80/58/26/378805826.db2.gz BYJCJLLGCYLGON-UHFFFAOYSA-N 1 2 277.320 2.990 20 70 CFIDLO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000160872932 378805834 /nfs/dbraw/zinc/80/58/34/378805834.db2.gz BYJCJLLGCYLGON-UHFFFAOYSA-N 1 2 277.320 2.990 20 70 CFIDLO COC(C[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C)OC ZINC000161066714 378818308 /nfs/dbraw/zinc/81/83/08/378818308.db2.gz DTXSBIQDDMZZOH-RISCZKNCSA-N 1 2 299.798 2.721 20 70 CFIDLO COC(C[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C)OC ZINC000161066714 378818318 /nfs/dbraw/zinc/81/83/18/378818318.db2.gz DTXSBIQDDMZZOH-RISCZKNCSA-N 1 2 299.798 2.721 20 70 CFIDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc(F)c1F ZINC000159469028 322322698 /nfs/dbraw/zinc/32/26/98/322322698.db2.gz WARAQALRVKPGON-BMIGLBTASA-N 1 2 290.313 2.842 20 70 CFIDLO Cc1[nH+]c2ccccn2c1CN(CCO)c1ccccc1 ZINC000160629307 322340776 /nfs/dbraw/zinc/34/07/76/322340776.db2.gz UAWYDORHCRPOQH-UHFFFAOYSA-N 1 2 281.359 2.642 20 70 CFIDLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nncn2C)cc1 ZINC000160714254 322341930 /nfs/dbraw/zinc/34/19/30/322341930.db2.gz ZWGYEVUGLMNYLU-OAHLLOKOSA-N 1 2 286.379 2.551 20 70 CFIDLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nncn2C)cc1 ZINC000160714254 322341933 /nfs/dbraw/zinc/34/19/33/322341933.db2.gz ZWGYEVUGLMNYLU-OAHLLOKOSA-N 1 2 286.379 2.551 20 70 CFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(CC)o1 ZINC000161259181 322349464 /nfs/dbraw/zinc/34/94/64/322349464.db2.gz AZIUEVOQDRUDLS-AWEZNQCLSA-N 1 2 265.353 2.760 20 70 CFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(CC)o1 ZINC000161259181 322349465 /nfs/dbraw/zinc/34/94/65/322349465.db2.gz AZIUEVOQDRUDLS-AWEZNQCLSA-N 1 2 265.353 2.760 20 70 CFIDLO CC1(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CCC1 ZINC000159934418 520758906 /nfs/dbraw/zinc/75/89/06/520758906.db2.gz NCROTQCYEPMQKW-UHFFFAOYSA-N 1 2 284.363 2.614 20 70 CFIDLO Cc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000161379879 525235455 /nfs/dbraw/zinc/23/54/55/525235455.db2.gz LEPFKFJUVMLDKL-NSHDSACASA-N 1 2 273.311 2.532 20 70 CFIDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)c1nnc2ccccn21 ZINC000159649611 232245284 /nfs/dbraw/zinc/24/52/84/232245284.db2.gz YMTDTKFEYHAIBE-JTQLQIEISA-N 1 2 288.301 2.858 20 70 CFIDLO CCC(C)(CC)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159369175 540991313 /nfs/dbraw/zinc/99/13/13/540991313.db2.gz OMMFDFATBPDFAT-CYBMUJFWSA-N 1 2 275.396 2.603 20 70 CFIDLO CCC[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000160941538 378811474 /nfs/dbraw/zinc/81/14/74/378811474.db2.gz LDXQTWPXJGJNLP-OAHLLOKOSA-N 1 2 289.423 2.803 20 70 CFIDLO Cc1cc(N[C@H](CO)CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000161416730 378846737 /nfs/dbraw/zinc/84/67/37/378846737.db2.gz JZZDMGRGZSSPKT-LBPRGKRZSA-N 1 2 263.385 2.871 20 70 CFIDLO CC(C)(C)C[C@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000161460856 378849886 /nfs/dbraw/zinc/84/98/86/378849886.db2.gz IAMBRIOABPVHNP-CYBMUJFWSA-N 1 2 292.427 2.676 20 70 CFIDLO CC(C)(C)C[C@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000161460856 378849888 /nfs/dbraw/zinc/84/98/88/378849888.db2.gz IAMBRIOABPVHNP-CYBMUJFWSA-N 1 2 292.427 2.676 20 70 CFIDLO CC[C@H](OC1CCCCC1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000159813295 322328633 /nfs/dbraw/zinc/32/86/33/322328633.db2.gz NHXUURVEQNOBQM-AWEZNQCLSA-N 1 2 293.411 2.506 20 70 CFIDLO CCn1nccc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000160069596 322332666 /nfs/dbraw/zinc/33/26/66/322332666.db2.gz OBQGCPMKPNFXEY-UHFFFAOYSA-N 1 2 267.336 2.701 20 70 CFIDLO CCCn1c(C)nnc1C[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000160108768 322333106 /nfs/dbraw/zinc/33/31/06/322333106.db2.gz VVNQLPFVFPMWJP-XJKSGUPXSA-N 1 2 294.443 2.632 20 70 CFIDLO CCCn1c(C)nnc1C[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000160108768 322333108 /nfs/dbraw/zinc/33/31/08/322333108.db2.gz VVNQLPFVFPMWJP-XJKSGUPXSA-N 1 2 294.443 2.632 20 70 CFIDLO CC(C)[N@H+](Cc1nncn1C)Cc1cccc(Cl)c1 ZINC000160795952 322342823 /nfs/dbraw/zinc/34/28/23/322342823.db2.gz ZHUJLJNCKMGKEI-UHFFFAOYSA-N 1 2 278.787 2.879 20 70 CFIDLO CC(C)[N@@H+](Cc1nncn1C)Cc1cccc(Cl)c1 ZINC000160795952 322342825 /nfs/dbraw/zinc/34/28/25/322342825.db2.gz ZHUJLJNCKMGKEI-UHFFFAOYSA-N 1 2 278.787 2.879 20 70 CFIDLO Cn1cnnc1C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000160834947 322343406 /nfs/dbraw/zinc/34/34/06/322343406.db2.gz ANSQISCLKDAYRA-INIZCTEOSA-N 1 2 282.391 2.857 20 70 CFIDLO Cn1cnnc1C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000160834947 322343408 /nfs/dbraw/zinc/34/34/08/322343408.db2.gz ANSQISCLKDAYRA-INIZCTEOSA-N 1 2 282.391 2.857 20 70 CFIDLO Cc1ccc(C[N@@H+](C)Cc2cnc3nc(C)cc(C)n23)o1 ZINC000160859337 322344427 /nfs/dbraw/zinc/34/44/27/322344427.db2.gz SOPAGSRGFCNOSB-UHFFFAOYSA-N 1 2 284.363 2.880 20 70 CFIDLO Cc1ccc(C[N@H+](C)Cc2cnc3nc(C)cc(C)n23)o1 ZINC000160859337 322344430 /nfs/dbraw/zinc/34/44/30/322344430.db2.gz SOPAGSRGFCNOSB-UHFFFAOYSA-N 1 2 284.363 2.880 20 70 CFIDLO COc1cccc([C@@H](C)[N@H+](C)Cc2nccn2C)c1 ZINC000160869575 322344472 /nfs/dbraw/zinc/34/44/72/322344472.db2.gz RRHJJWDRANPCIO-GFCCVEGCSA-N 1 2 259.353 2.622 20 70 CFIDLO COc1cccc([C@@H](C)[N@@H+](C)Cc2nccn2C)c1 ZINC000160869575 322344474 /nfs/dbraw/zinc/34/44/74/322344474.db2.gz RRHJJWDRANPCIO-GFCCVEGCSA-N 1 2 259.353 2.622 20 70 CFIDLO CC(C)(C)CCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161422816 518642030 /nfs/dbraw/zinc/64/20/30/518642030.db2.gz JDXHYHBOGANOBM-ZDUSSCGKSA-N 1 2 277.412 2.778 20 70 CFIDLO CC(C)(C)CCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161422699 518642098 /nfs/dbraw/zinc/64/20/98/518642098.db2.gz JDXHYHBOGANOBM-CYBMUJFWSA-N 1 2 277.412 2.778 20 70 CFIDLO COC(C[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C)OC ZINC000161066889 522535468 /nfs/dbraw/zinc/53/54/68/522535468.db2.gz DTXSBIQDDMZZOH-BXUZGUMPSA-N 1 2 299.798 2.721 20 70 CFIDLO COC(C[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C)OC ZINC000161066889 522535477 /nfs/dbraw/zinc/53/54/77/522535477.db2.gz DTXSBIQDDMZZOH-BXUZGUMPSA-N 1 2 299.798 2.721 20 70 CFIDLO CC[C@H]1CCCCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160810914 522991718 /nfs/dbraw/zinc/99/17/18/522991718.db2.gz MRJMFINHUCPFJD-KBPBESRZSA-N 1 2 278.400 2.636 20 70 CFIDLO C[C@@H]1CCC[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000159954222 524266755 /nfs/dbraw/zinc/26/67/55/524266755.db2.gz WUEZXVCDCRWEQX-ZIAGYGMSSA-N 1 2 298.390 2.710 20 70 CFIDLO C[C@@H]1CCC[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000160043377 524266946 /nfs/dbraw/zinc/26/69/46/524266946.db2.gz HCYWOVSXRDYCAJ-ZIAGYGMSSA-N 1 2 289.423 2.704 20 70 CFIDLO CC(C)c1nc(N(C)C)nc(N[C@@H](C)c2nccs2)[nH+]1 ZINC000159562387 528293542 /nfs/dbraw/zinc/29/35/42/528293542.db2.gz QQEHEWVAKIKLOY-VIFPVBQESA-N 1 2 292.412 2.691 20 70 CFIDLO CC(C)c1nc(N[C@@H](C)c2nccs2)nc(N(C)C)[nH+]1 ZINC000159562387 528293544 /nfs/dbraw/zinc/29/35/44/528293544.db2.gz QQEHEWVAKIKLOY-VIFPVBQESA-N 1 2 292.412 2.691 20 70 CFIDLO CC[C@@H](NC(=O)CCCn1cc[nH+]c1)c1c(C)noc1C ZINC000159972277 541019166 /nfs/dbraw/zinc/01/91/66/541019166.db2.gz HANXZBUCQBQPFF-CYBMUJFWSA-N 1 2 290.367 2.536 20 70 CFIDLO CC[C@@H]1CCC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000159675515 378724665 /nfs/dbraw/zinc/72/46/65/378724665.db2.gz OLRRXTZKPQAXCM-TZMCWYRMSA-N 1 2 271.364 2.572 20 70 CFIDLO CCOC(=O)C[N@@H+](Cc1sc(C)nc1C)CC(C)C ZINC000159708555 378726005 /nfs/dbraw/zinc/72/60/05/378726005.db2.gz QIYBNGIJAUHYPO-UHFFFAOYSA-N 1 2 284.425 2.781 20 70 CFIDLO CCOC(=O)C[N@H+](Cc1sc(C)nc1C)CC(C)C ZINC000159708555 378726010 /nfs/dbraw/zinc/72/60/10/378726010.db2.gz QIYBNGIJAUHYPO-UHFFFAOYSA-N 1 2 284.425 2.781 20 70 CFIDLO CCCc1noc(C[N@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159766873 378728640 /nfs/dbraw/zinc/72/86/40/378728640.db2.gz OUTPRQATUHCTIG-UHFFFAOYSA-N 1 2 288.395 2.720 20 70 CFIDLO CCCc1noc(C[N@@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159766873 378728644 /nfs/dbraw/zinc/72/86/44/378728644.db2.gz OUTPRQATUHCTIG-UHFFFAOYSA-N 1 2 288.395 2.720 20 70 CFIDLO c1nc(N[C@H]2CCO[C@@H](C3CC3)C2)cc(NCC2CC2)[nH+]1 ZINC000160405697 378770069 /nfs/dbraw/zinc/77/00/69/378770069.db2.gz CDDUUQMLGBOLJW-UONOGXRCSA-N 1 2 288.395 2.668 20 70 CFIDLO c1nc(NCC2CC2)cc(N[C@H]2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000160405697 378770075 /nfs/dbraw/zinc/77/00/75/378770075.db2.gz CDDUUQMLGBOLJW-UONOGXRCSA-N 1 2 288.395 2.668 20 70 CFIDLO CCNC(=O)C(C)(C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000161339000 378840890 /nfs/dbraw/zinc/84/08/90/378840890.db2.gz JSPXJJKYFPPVEG-UHFFFAOYSA-N 1 2 289.301 2.675 20 70 CFIDLO CC(C)(C)C[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000161456699 378847377 /nfs/dbraw/zinc/84/73/77/378847377.db2.gz DEFZKAJIEFMMFD-LLVKDONJSA-N 1 2 265.401 2.983 20 70 CFIDLO Cc1cc2[nH+]cn(Cc3nnc4n3CCCC4)c2cc1C ZINC000217323142 382785845 /nfs/dbraw/zinc/78/58/45/382785845.db2.gz KJHQRGFOSBAHDN-UHFFFAOYSA-N 1 2 281.363 2.629 20 70 CFIDLO CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159817741 280272199 /nfs/dbraw/zinc/27/21/99/280272199.db2.gz PKPHOGNKRAVKPR-MGPQQGTHSA-N 1 2 275.396 2.531 20 70 CFIDLO c1coc(-c2cc(CSCC[NH+]3CCOCC3)no2)c1 ZINC000160014305 322331540 /nfs/dbraw/zinc/33/15/40/322331540.db2.gz OQPYUTNJINGBMQ-UHFFFAOYSA-N 1 2 294.376 2.500 20 70 CFIDLO CCN(Cc1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000160821801 322343662 /nfs/dbraw/zinc/34/36/62/322343662.db2.gz OQQBZQKUELOYQP-UHFFFAOYSA-N 1 2 251.280 2.725 20 70 CFIDLO CCc1nnc(COc2cc[nH+]c3cc(OC)ccc32)o1 ZINC000160899846 322344845 /nfs/dbraw/zinc/34/48/45/322344845.db2.gz HGNKAQVQLQBBMN-UHFFFAOYSA-N 1 2 285.303 2.768 20 70 CFIDLO C(c1nc(C2CCCC2)no1)[N@@H+]1CCCSCC1 ZINC000161478973 518404124 /nfs/dbraw/zinc/40/41/24/518404124.db2.gz JCUFCDMWOMTWJL-UHFFFAOYSA-N 1 2 267.398 2.666 20 70 CFIDLO C(c1nc(C2CCCC2)no1)[N@H+]1CCCSCC1 ZINC000161478973 518404129 /nfs/dbraw/zinc/40/41/29/518404129.db2.gz JCUFCDMWOMTWJL-UHFFFAOYSA-N 1 2 267.398 2.666 20 70 CFIDLO Fc1ccc([C@@H]2C[N@H+](CCOCC3CC3)CCO2)cc1F ZINC000160371532 534489749 /nfs/dbraw/zinc/48/97/49/534489749.db2.gz FNHADEHQKZAAPQ-INIZCTEOSA-N 1 2 297.345 2.765 20 70 CFIDLO Fc1ccc([C@@H]2C[N@@H+](CCOCC3CC3)CCO2)cc1F ZINC000160371532 534489759 /nfs/dbraw/zinc/48/97/59/534489759.db2.gz FNHADEHQKZAAPQ-INIZCTEOSA-N 1 2 297.345 2.765 20 70 CFIDLO c1csc(COc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000161363813 534523030 /nfs/dbraw/zinc/52/30/30/534523030.db2.gz PLSIZICJONZPQU-UHFFFAOYSA-N 1 2 257.318 2.908 20 70 CFIDLO CCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000160147010 521111243 /nfs/dbraw/zinc/11/12/43/521111243.db2.gz PLGZNWZVJNZGCV-ZDUSSCGKSA-N 1 2 299.374 2.791 20 70 CFIDLO CN(CCCc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159987228 522797150 /nfs/dbraw/zinc/79/71/50/522797150.db2.gz CVQCEEZXCMVOSF-MRXNPFEDSA-N 1 2 297.402 2.537 20 70 CFIDLO CN1CCN(Cc2c[nH+]c3ccccn23)c2ccccc21 ZINC000160351830 523912507 /nfs/dbraw/zinc/91/25/07/523912507.db2.gz YXNXNUFSCNEGJG-UHFFFAOYSA-N 1 2 278.359 2.791 20 70 CFIDLO C[C@@H]1CCC[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000159953976 524347658 /nfs/dbraw/zinc/34/76/58/524347658.db2.gz WUEZXVCDCRWEQX-KGLIPLIRSA-N 1 2 298.390 2.710 20 70 CFIDLO Cc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159723023 378725889 /nfs/dbraw/zinc/72/58/89/378725889.db2.gz ISALJAHMRJUEMO-AWEZNQCLSA-N 1 2 296.374 2.790 20 70 CFIDLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1ccccc1 ZINC000159829775 378732701 /nfs/dbraw/zinc/73/27/01/378732701.db2.gz PYZDRBZHQQGRRM-HNNXBMFYSA-N 1 2 297.402 2.955 20 70 CFIDLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1ccccc1 ZINC000159829775 378732708 /nfs/dbraw/zinc/73/27/08/378732708.db2.gz PYZDRBZHQQGRRM-HNNXBMFYSA-N 1 2 297.402 2.955 20 70 CFIDLO CC(C)c1nc(N[C@H]2CCO[C@H](C3CC3)C2)cc[nH+]1 ZINC000160348363 378765495 /nfs/dbraw/zinc/76/54/95/378765495.db2.gz FEMAZEVXRAXCSX-STQMWFEESA-N 1 2 261.369 2.970 20 70 CFIDLO CC[C@@H](C)CS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000160752539 378796981 /nfs/dbraw/zinc/79/69/81/378796981.db2.gz DKKPRMIERRLUFC-GFCCVEGCSA-N 1 2 294.376 2.627 20 70 CFIDLO COc1ccc(C[N@H+](C)Cc2cncs2)c(OC)c1 ZINC000160829712 378801950 /nfs/dbraw/zinc/80/19/50/378801950.db2.gz VJEPTUZBJMOVCD-UHFFFAOYSA-N 1 2 278.377 2.792 20 70 CFIDLO COc1ccc(C[N@@H+](C)Cc2cncs2)c(OC)c1 ZINC000160829712 378801961 /nfs/dbraw/zinc/80/19/61/378801961.db2.gz VJEPTUZBJMOVCD-UHFFFAOYSA-N 1 2 278.377 2.792 20 70 CFIDLO CCC[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000160941413 378811264 /nfs/dbraw/zinc/81/12/64/378811264.db2.gz LDXQTWPXJGJNLP-HNNXBMFYSA-N 1 2 289.423 2.803 20 70 CFIDLO CCCC[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(=O)OC ZINC000161043702 378816636 /nfs/dbraw/zinc/81/66/36/378816636.db2.gz WXKKKZYYDWOFGM-AWEZNQCLSA-N 1 2 274.364 2.989 20 70 CFIDLO Fc1ccc2nc(CSCC[NH+]3CCOCC3)oc2c1 ZINC000160072271 322332560 /nfs/dbraw/zinc/33/25/60/322332560.db2.gz DGCHOYMQKCGEPD-UHFFFAOYSA-N 1 2 296.367 2.532 20 70 CFIDLO CCOCc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161143882 520204507 /nfs/dbraw/zinc/20/45/07/520204507.db2.gz YVUVSTVDWOFQMU-AWEZNQCLSA-N 1 2 299.374 2.621 20 70 CFIDLO C[C@H]1CCC[C@@H](C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000160484210 524129237 /nfs/dbraw/zinc/12/92/37/524129237.db2.gz SSIASSVHJXFIRD-QWHCGFSZSA-N 1 2 275.396 2.590 20 70 CFIDLO Cc1cc(C)c(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000159405541 524268291 /nfs/dbraw/zinc/26/82/91/524268291.db2.gz DWZGNUKGCLFGSI-OAHLLOKOSA-N 1 2 297.402 2.687 20 70 CFIDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)o1 ZINC000160795226 526406515 /nfs/dbraw/zinc/40/65/15/526406515.db2.gz VNUHEQJWYJRUTL-NEPJUHHUSA-N 1 2 297.362 2.976 20 70 CFIDLO CCOCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000160373963 528660997 /nfs/dbraw/zinc/66/09/97/528660997.db2.gz YMEYZFFLULIDSI-OAHLLOKOSA-N 1 2 285.334 2.765 20 70 CFIDLO CCOCCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000160373963 528661003 /nfs/dbraw/zinc/66/10/03/528661003.db2.gz YMEYZFFLULIDSI-OAHLLOKOSA-N 1 2 285.334 2.765 20 70 CFIDLO CC(C)[N@H+](CCc1nccs1)Cc1noc(C2CC2)n1 ZINC000159835309 528916292 /nfs/dbraw/zinc/91/62/92/528916292.db2.gz SLVDOABVDGVILA-UHFFFAOYSA-N 1 2 292.408 2.857 20 70 CFIDLO CC(C)[N@@H+](CCc1nccs1)Cc1noc(C2CC2)n1 ZINC000159835309 528916300 /nfs/dbraw/zinc/91/63/00/528916300.db2.gz SLVDOABVDGVILA-UHFFFAOYSA-N 1 2 292.408 2.857 20 70 CFIDLO Cc1nc(C2([NH2+]Cc3cccc(O)c3)CCCC2)no1 ZINC000161369298 348023900 /nfs/dbraw/zinc/02/39/00/348023900.db2.gz GBCKBPRIOBBABH-UHFFFAOYSA-N 1 2 273.336 2.643 20 70 CFIDLO C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[C@@H]1C ZINC000159888075 378735283 /nfs/dbraw/zinc/73/52/83/378735283.db2.gz SAZDEBAZYWVMPI-STQMWFEESA-N 1 2 286.379 2.522 20 70 CFIDLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1)c1ccccc1 ZINC000159459662 378710193 /nfs/dbraw/zinc/71/01/93/378710193.db2.gz DXSSJBINSCYYAJ-CABCVRRESA-N 1 2 297.402 2.779 20 70 CFIDLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1)c1ccccc1 ZINC000159459662 378710196 /nfs/dbraw/zinc/71/01/96/378710196.db2.gz DXSSJBINSCYYAJ-CABCVRRESA-N 1 2 297.402 2.779 20 70 CFIDLO c1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000160414490 378770287 /nfs/dbraw/zinc/77/02/87/378770287.db2.gz RZMHCJOPQKIFGS-OLZOCXBDSA-N 1 2 259.353 2.724 20 70 CFIDLO CN(CCC1CCOCC1)c1cc[nH+]c(C2CC2)n1 ZINC000160539537 378778838 /nfs/dbraw/zinc/77/88/38/378778838.db2.gz DPPIEKVKGMWUSL-UHFFFAOYSA-N 1 2 261.369 2.607 20 70 CFIDLO O[C@@]12CCCC[C@@H]1CN(c1[nH]c3ccccc3[nH+]1)CC2 ZINC000160639913 378788415 /nfs/dbraw/zinc/78/84/15/378788415.db2.gz ZALAHVJMJZSPSV-MLGOLLRUSA-N 1 2 271.364 2.694 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@@H](C)c2cccs2)n1 ZINC000160880158 378806392 /nfs/dbraw/zinc/80/63/92/378806392.db2.gz ZLIZWYCUFWNHFM-JTQLQIEISA-N 1 2 277.393 2.999 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H](C)c2cccs2)n1 ZINC000160880158 378806397 /nfs/dbraw/zinc/80/63/97/378806397.db2.gz ZLIZWYCUFWNHFM-JTQLQIEISA-N 1 2 277.393 2.999 20 70 CFIDLO Cc1nc(C2(NCc3c[nH+]c4ccccn34)CCCC2)no1 ZINC000161376806 378842600 /nfs/dbraw/zinc/84/26/00/378842600.db2.gz XQTSWZNTMDKMPI-UHFFFAOYSA-N 1 2 297.362 2.585 20 70 CFIDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc(F)c1F ZINC000159468889 322323181 /nfs/dbraw/zinc/32/31/81/322323181.db2.gz WARAQALRVKPGON-BONVTDFDSA-N 1 2 290.313 2.842 20 70 CFIDLO CC(=O)Nc1ccccc1CNc1ccc(N(C)C)c[nH+]1 ZINC000160584582 519750931 /nfs/dbraw/zinc/75/09/31/519750931.db2.gz SYWSCCRDYXAKQY-UHFFFAOYSA-N 1 2 284.363 2.718 20 70 CFIDLO CCc1cnc(CN(C)Cc2c[nH+]c3ccccn23)s1 ZINC000160938909 522022780 /nfs/dbraw/zinc/02/27/80/522022780.db2.gz QKLVDUILEISUKJ-UHFFFAOYSA-N 1 2 286.404 2.985 20 70 CFIDLO CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161326421 522635380 /nfs/dbraw/zinc/63/53/80/522635380.db2.gz VHPSKDFNTGQMCS-HOTGVXAUSA-N 1 2 297.402 2.583 20 70 CFIDLO CC[C@@H](NC(=O)[C@H](C)c1ccccc1)c1[nH]cc[nH+]1 ZINC000218078495 522767534 /nfs/dbraw/zinc/76/75/34/522767534.db2.gz ORZHIFHXFJLHCL-DGCLKSJQSA-N 1 2 257.337 2.781 20 70 CFIDLO CCc1nc(C[N@H+](CCc2nccs2)C(C)C)no1 ZINC000159776894 529735629 /nfs/dbraw/zinc/73/56/29/529735629.db2.gz AQGURNCXTMMDDS-UHFFFAOYSA-N 1 2 280.397 2.542 20 70 CFIDLO CCc1nc(C[N@@H+](CCc2nccs2)C(C)C)no1 ZINC000159776894 529735630 /nfs/dbraw/zinc/73/56/30/529735630.db2.gz AQGURNCXTMMDDS-UHFFFAOYSA-N 1 2 280.397 2.542 20 70 CFIDLO c1nnc(-c2cccc(NCc3c[nH+]c4ccccn34)c2)o1 ZINC000159673660 541005391 /nfs/dbraw/zinc/00/53/91/541005391.db2.gz FVZFCDOQCHREKI-UHFFFAOYSA-N 1 2 291.314 2.996 20 70 CFIDLO c1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc(C2CC2)[nH+]1 ZINC000160020152 378742999 /nfs/dbraw/zinc/74/29/99/378742999.db2.gz NUVLRSYWCFRKGW-BNOWGMLFSA-N 1 2 271.364 2.724 20 70 CFIDLO Cc1cc(NC[C@@](C)(O)c2ccccc2Cl)nc[nH+]1 ZINC000160150848 378752668 /nfs/dbraw/zinc/75/26/68/378752668.db2.gz DTMNPENWYIJIEJ-CQSZACIVSA-N 1 2 277.755 2.758 20 70 CFIDLO Cc1cccc2[nH+]c(CNC(=O)CCCn3cccc3)cn21 ZINC000159482328 378712142 /nfs/dbraw/zinc/71/21/42/378712142.db2.gz UCRYDSZERNOIGP-UHFFFAOYSA-N 1 2 296.374 2.541 20 70 CFIDLO CCC(CC)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000160565650 378782230 /nfs/dbraw/zinc/78/22/30/378782230.db2.gz PXSRYJQZDVDODT-UHFFFAOYSA-N 1 2 278.400 2.666 20 70 CFIDLO CC(C)(C)C[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000161456553 378848132 /nfs/dbraw/zinc/84/81/32/378848132.db2.gz DEFZKAJIEFMMFD-NSHDSACASA-N 1 2 265.401 2.983 20 70 CFIDLO C[C@@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)[C@@H](C)CO1 ZINC000218349076 382790026 /nfs/dbraw/zinc/79/00/26/382790026.db2.gz CTRBDMATHBEVBO-NWDGAFQWSA-N 1 2 265.328 2.508 20 70 CFIDLO C[C@@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)[C@@H](C)CO1 ZINC000218349076 382790027 /nfs/dbraw/zinc/79/00/27/382790027.db2.gz CTRBDMATHBEVBO-NWDGAFQWSA-N 1 2 265.328 2.508 20 70 CFIDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1nnc2ccccn21 ZINC000159649746 533441102 /nfs/dbraw/zinc/44/11/02/533441102.db2.gz YMTDTKFEYHAIBE-SNVBAGLBSA-N 1 2 288.301 2.858 20 70 CFIDLO C[C@@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000161281975 287372852 /nfs/dbraw/zinc/37/28/52/287372852.db2.gz ADZJYZGFBHAASG-GHMZBOCLSA-N 1 2 293.436 2.896 20 70 CFIDLO C[C@@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000161281975 287372854 /nfs/dbraw/zinc/37/28/54/287372854.db2.gz ADZJYZGFBHAASG-GHMZBOCLSA-N 1 2 293.436 2.896 20 70 CFIDLO Clc1ccccc1[C@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000159809097 294116534 /nfs/dbraw/zinc/11/65/34/294116534.db2.gz TYBSKIAVQJUGPM-OAHLLOKOSA-N 1 2 291.782 2.610 20 70 CFIDLO CCCCc1noc([C@H](C)SCC[NH+]2CCOCC2)n1 ZINC000160012056 322331434 /nfs/dbraw/zinc/33/14/34/322331434.db2.gz IAWJMKSZQKINFO-LBPRGKRZSA-N 1 2 299.440 2.539 20 70 CFIDLO CCOCCC[N@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000159545839 521704949 /nfs/dbraw/zinc/70/49/49/521704949.db2.gz IXSYYNUTPQDGDG-UHFFFAOYSA-N 1 2 299.798 2.742 20 70 CFIDLO CCOCCC[N@@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000159545839 521704952 /nfs/dbraw/zinc/70/49/52/521704952.db2.gz IXSYYNUTPQDGDG-UHFFFAOYSA-N 1 2 299.798 2.742 20 70 CFIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000159991337 520213454 /nfs/dbraw/zinc/21/34/54/520213454.db2.gz GTSRUHUUINOYSV-GFCCVEGCSA-N 1 2 296.436 2.973 20 70 CFIDLO CC[C@H](NC(=O)[C@@H](C)c1ccccc1)c1[nH]cc[nH+]1 ZINC000218078405 522493444 /nfs/dbraw/zinc/49/34/44/522493444.db2.gz ORZHIFHXFJLHCL-AAEUAGOBSA-N 1 2 257.337 2.781 20 70 CFIDLO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159722873 523531498 /nfs/dbraw/zinc/53/14/98/523531498.db2.gz KVZWPZVGPIRYBA-HNNXBMFYSA-N 1 2 270.380 2.944 20 70 CFIDLO CCn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159722873 523531507 /nfs/dbraw/zinc/53/15/07/523531507.db2.gz KVZWPZVGPIRYBA-HNNXBMFYSA-N 1 2 270.380 2.944 20 70 CFIDLO Cc1[nH+]c2ccccn2c1CN(CC(F)F)C1CC1 ZINC000160215916 527175356 /nfs/dbraw/zinc/17/53/56/527175356.db2.gz WGSOMBVVLZYYNZ-UHFFFAOYSA-N 1 2 265.307 2.872 20 70 CFIDLO CC[C@H](CC(=O)NCc1[nH]cc[nH+]1)c1ccc(C)cc1 ZINC000159861711 348015309 /nfs/dbraw/zinc/01/53/09/348015309.db2.gz XAZLVHYGENBEMQ-CYBMUJFWSA-N 1 2 271.364 2.918 20 70 CFIDLO c1csc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000159627222 541002728 /nfs/dbraw/zinc/00/27/28/541002728.db2.gz YRNBWIPYAWYYTA-INIZCTEOSA-N 1 2 286.400 2.817 20 70 CFIDLO c1csc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000159627222 541002730 /nfs/dbraw/zinc/00/27/30/541002730.db2.gz YRNBWIPYAWYYTA-INIZCTEOSA-N 1 2 286.400 2.817 20 70 CFIDLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)c1ccncc1 ZINC000160483788 541427561 /nfs/dbraw/zinc/42/75/61/541427561.db2.gz QMMSXYVFKPQYFZ-NSHDSACASA-N 1 2 255.321 2.917 20 70 CFIDLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)c1ccncc1 ZINC000160483645 541427624 /nfs/dbraw/zinc/42/76/24/541427624.db2.gz QMMSXYVFKPQYFZ-LLVKDONJSA-N 1 2 255.321 2.917 20 70 CFIDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000159556772 378717167 /nfs/dbraw/zinc/71/71/67/378717167.db2.gz GTNBIFCBCNOJMP-LBPRGKRZSA-N 1 2 287.190 2.704 20 70 CFIDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000159556772 378717173 /nfs/dbraw/zinc/71/71/73/378717173.db2.gz GTNBIFCBCNOJMP-LBPRGKRZSA-N 1 2 287.190 2.704 20 70 CFIDLO CCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000160621759 378785608 /nfs/dbraw/zinc/78/56/08/378785608.db2.gz XCTOUALMCUVBQU-UHFFFAOYSA-N 1 2 284.363 2.577 20 70 CFIDLO CCCC[N@H+](Cc1ccc(CC)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160771820 378796186 /nfs/dbraw/zinc/79/61/86/378796186.db2.gz FMOCPYRTXNQVLF-ZDUSSCGKSA-N 1 2 299.436 2.631 20 70 CFIDLO CCCC[N@@H+](Cc1ccc(CC)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160771820 378796192 /nfs/dbraw/zinc/79/61/92/378796192.db2.gz FMOCPYRTXNQVLF-ZDUSSCGKSA-N 1 2 299.436 2.631 20 70 CFIDLO CC[C@H](C)CS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000160752667 378796540 /nfs/dbraw/zinc/79/65/40/378796540.db2.gz DKKPRMIERRLUFC-LBPRGKRZSA-N 1 2 294.376 2.627 20 70 CFIDLO CN(C)c1ncc(C[N@H+](C)Cc2ccccc2Cl)cn1 ZINC000160822202 378802099 /nfs/dbraw/zinc/80/20/99/378802099.db2.gz BXPVOGJKBHSYPP-UHFFFAOYSA-N 1 2 290.798 2.828 20 70 CFIDLO CN(C)c1ncc(C[N@@H+](C)Cc2ccccc2Cl)cn1 ZINC000160822202 378802106 /nfs/dbraw/zinc/80/21/06/378802106.db2.gz BXPVOGJKBHSYPP-UHFFFAOYSA-N 1 2 290.798 2.828 20 70 CFIDLO CC[C@H](O)CN(Cc1ccccc1)c1cc[nH+]c(C)n1 ZINC000161012589 378814462 /nfs/dbraw/zinc/81/44/62/378814462.db2.gz JIKVIKHABZYWDQ-HNNXBMFYSA-N 1 2 271.364 2.563 20 70 CFIDLO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159380944 292245695 /nfs/dbraw/zinc/24/56/95/292245695.db2.gz RUTLTASGOGBTLL-DZGCQCFKSA-N 1 2 283.375 2.631 20 70 CFIDLO Cc1cc(N[C@@H]2CCCc3cc(N)ccc32)nc[nH+]1 ZINC000159478279 280629464 /nfs/dbraw/zinc/62/94/64/280629464.db2.gz ZKLQSPBNPPMWLJ-CQSZACIVSA-N 1 2 254.337 2.857 20 70 CFIDLO CCOc1cccc(C[NH2+][C@@H](COC)c2ccco2)n1 ZINC000159479554 322323623 /nfs/dbraw/zinc/32/36/23/322323623.db2.gz FQEVHOGKDSHMLG-ZDUSSCGKSA-N 1 2 276.336 2.551 20 70 CFIDLO Cc1ccc(-c2nc(SCCn3cc[nH+]c3)n[nH]2)cc1 ZINC000159704404 322327026 /nfs/dbraw/zinc/32/70/26/322327026.db2.gz LOCWEBYCUXPAGI-UHFFFAOYSA-N 1 2 285.376 2.769 20 70 CFIDLO Cc1ccc(-c2n[nH]c(SCCn3cc[nH+]c3)n2)cc1 ZINC000159704404 322327028 /nfs/dbraw/zinc/32/70/28/322327028.db2.gz LOCWEBYCUXPAGI-UHFFFAOYSA-N 1 2 285.376 2.769 20 70 CFIDLO Cc1ccc(C(=O)C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000160065923 322332511 /nfs/dbraw/zinc/33/25/11/322332511.db2.gz CTFDUYXIKNXYRF-UHFFFAOYSA-N 1 2 254.289 2.520 20 70 CFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C1CCCC1 ZINC000160261101 322335908 /nfs/dbraw/zinc/33/59/08/322335908.db2.gz LYSPVEPXQUGGDR-LSDHHAIUSA-N 1 2 287.407 2.627 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(F)c(F)c2)n1 ZINC000160727765 322341746 /nfs/dbraw/zinc/34/17/46/322341746.db2.gz CURCQCJKXJECRT-UHFFFAOYSA-N 1 2 293.317 2.655 20 70 CFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(F)c(F)c2)n1 ZINC000160727765 322341750 /nfs/dbraw/zinc/34/17/50/322341750.db2.gz CURCQCJKXJECRT-UHFFFAOYSA-N 1 2 293.317 2.655 20 70 CFIDLO Cc1ccc(C[N@H+](Cc2nncn2C)C(C)C)s1 ZINC000160847216 322344007 /nfs/dbraw/zinc/34/40/07/322344007.db2.gz PXEXKZOTSFFRIG-UHFFFAOYSA-N 1 2 264.398 2.596 20 70 CFIDLO Cc1ccc(C[N@@H+](Cc2nncn2C)C(C)C)s1 ZINC000160847216 322344009 /nfs/dbraw/zinc/34/40/09/322344009.db2.gz PXEXKZOTSFFRIG-UHFFFAOYSA-N 1 2 264.398 2.596 20 70 CFIDLO CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000160003885 520219796 /nfs/dbraw/zinc/21/97/96/520219796.db2.gz HQLWYMSROLRABP-RYUDHWBXSA-N 1 2 282.409 2.664 20 70 CFIDLO CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000160003885 520219803 /nfs/dbraw/zinc/21/98/03/520219803.db2.gz HQLWYMSROLRABP-RYUDHWBXSA-N 1 2 282.409 2.664 20 70 CFIDLO CCc1nnc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)o1 ZINC000160211121 522734565 /nfs/dbraw/zinc/73/45/65/522734565.db2.gz JXWILAWHIPMXKT-ZDUSSCGKSA-N 1 2 272.352 2.673 20 70 CFIDLO CCc1nnc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)o1 ZINC000160211121 522734573 /nfs/dbraw/zinc/73/45/73/522734573.db2.gz JXWILAWHIPMXKT-ZDUSSCGKSA-N 1 2 272.352 2.673 20 70 CFIDLO CC[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1[nH]cc[nH+]1 ZINC000218078329 522758415 /nfs/dbraw/zinc/75/84/15/522758415.db2.gz ORZHIFHXFJLHCL-WCQYABFASA-N 1 2 257.337 2.781 20 70 CFIDLO C[C@H]1CCC[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000159954100 524178616 /nfs/dbraw/zinc/17/86/16/524178616.db2.gz WUEZXVCDCRWEQX-KBPBESRZSA-N 1 2 298.390 2.710 20 70 CFIDLO C[C@@H]1CCC[C@H](C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000160483879 524349218 /nfs/dbraw/zinc/34/92/18/524349218.db2.gz SSIASSVHJXFIRD-OLZOCXBDSA-N 1 2 275.396 2.590 20 70 CFIDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)NC(C)(C)C ZINC000159726122 525603636 /nfs/dbraw/zinc/60/36/36/525603636.db2.gz AHTJYKDTLRMMKP-VHSXEESVSA-N 1 2 284.350 2.919 20 70 CFIDLO Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159432659 525881613 /nfs/dbraw/zinc/88/16/13/525881613.db2.gz HOUPLNDKXXZOQC-GOEBONIOSA-N 1 2 297.402 2.974 20 70 CFIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc[nH+]cc1O ZINC000161503775 525885397 /nfs/dbraw/zinc/88/53/97/525885397.db2.gz GNQGLOXFTJSEOJ-NXEZZACHSA-N 1 2 274.345 2.899 20 70 CFIDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000160177779 526042059 /nfs/dbraw/zinc/04/20/59/526042059.db2.gz RVWLYBBLVTVZFL-AWEZNQCLSA-N 1 2 291.391 2.840 20 70 CFIDLO Cc1ccc(C(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000160177779 526042066 /nfs/dbraw/zinc/04/20/66/526042066.db2.gz RVWLYBBLVTVZFL-AWEZNQCLSA-N 1 2 291.391 2.840 20 70 CFIDLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1nc2ccccc2n1C ZINC000161058367 527627767 /nfs/dbraw/zinc/62/77/67/527627767.db2.gz HQDMADNXZWHKSD-UHFFFAOYSA-N 1 2 297.406 2.556 20 70 CFIDLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1nc2ccccc2n1C ZINC000161058367 527627770 /nfs/dbraw/zinc/62/77/70/527627770.db2.gz HQDMADNXZWHKSD-UHFFFAOYSA-N 1 2 297.406 2.556 20 70 CFIDLO CCOCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000160369470 528661282 /nfs/dbraw/zinc/66/12/82/528661282.db2.gz KXGWXAVVWPXJGZ-HNNXBMFYSA-N 1 2 267.344 2.626 20 70 CFIDLO CCOCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000160369470 528661287 /nfs/dbraw/zinc/66/12/87/528661287.db2.gz KXGWXAVVWPXJGZ-HNNXBMFYSA-N 1 2 267.344 2.626 20 70 CFIDLO Cn1ccnc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000160835631 348021400 /nfs/dbraw/zinc/02/14/00/348021400.db2.gz QLURDMKGROGHPQ-INIZCTEOSA-N 1 2 285.391 2.601 20 70 CFIDLO Cn1ccnc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000160835631 348021403 /nfs/dbraw/zinc/02/14/03/348021403.db2.gz QLURDMKGROGHPQ-INIZCTEOSA-N 1 2 285.391 2.601 20 70 CFIDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)Cc1cccnc1 ZINC000159923608 378739129 /nfs/dbraw/zinc/73/91/29/378739129.db2.gz MFDHADUDJKXYMP-SOUVJXGZSA-N 1 2 289.423 2.691 20 70 CFIDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1cccnc1 ZINC000159923608 378739134 /nfs/dbraw/zinc/73/91/34/378739134.db2.gz MFDHADUDJKXYMP-SOUVJXGZSA-N 1 2 289.423 2.691 20 70 CFIDLO c1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc(C2CC2)[nH+]1 ZINC000160019940 378743345 /nfs/dbraw/zinc/74/33/45/378743345.db2.gz NUVLRSYWCFRKGW-YUTCNCBUSA-N 1 2 271.364 2.724 20 70 CFIDLO CC(C)[N@@H+](Cc1noc(C2CCCCC2)n1)C[C@H](C)O ZINC000160070596 378747198 /nfs/dbraw/zinc/74/71/98/378747198.db2.gz QEPBIAFGGDZNPW-LBPRGKRZSA-N 1 2 281.400 2.709 20 70 CFIDLO CC(C)[N@H+](Cc1noc(C2CCCCC2)n1)C[C@H](C)O ZINC000160070596 378747201 /nfs/dbraw/zinc/74/72/01/378747201.db2.gz QEPBIAFGGDZNPW-LBPRGKRZSA-N 1 2 281.400 2.709 20 70 CFIDLO C[N@@H+](Cc1noc(C2CCCCC2)n1)C[C@H]1CCCOC1 ZINC000160096089 378749124 /nfs/dbraw/zinc/74/91/24/378749124.db2.gz FCBDLLIUVIBCPN-CYBMUJFWSA-N 1 2 293.411 2.976 20 70 CFIDLO C[N@H+](Cc1noc(C2CCCCC2)n1)C[C@H]1CCCOC1 ZINC000160096089 378749128 /nfs/dbraw/zinc/74/91/28/378749128.db2.gz FCBDLLIUVIBCPN-CYBMUJFWSA-N 1 2 293.411 2.976 20 70 CFIDLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1cccnc1 ZINC000159453213 378710167 /nfs/dbraw/zinc/71/01/67/378710167.db2.gz OSIFLQDUQNCBPU-AWEZNQCLSA-N 1 2 289.423 2.598 20 70 CFIDLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1cccnc1 ZINC000159453213 378710170 /nfs/dbraw/zinc/71/01/70/378710170.db2.gz OSIFLQDUQNCBPU-AWEZNQCLSA-N 1 2 289.423 2.598 20 70 CFIDLO Cc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159722881 378725800 /nfs/dbraw/zinc/72/58/00/378725800.db2.gz ISALJAHMRJUEMO-CQSZACIVSA-N 1 2 296.374 2.790 20 70 CFIDLO C[C@@H](CCC(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000159745259 378727546 /nfs/dbraw/zinc/72/75/46/378727546.db2.gz TWPXINXEOIHJMI-LBPRGKRZSA-N 1 2 257.337 2.610 20 70 CFIDLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1cccnc1)c1ccccc1 ZINC000159829639 378731524 /nfs/dbraw/zinc/73/15/24/378731524.db2.gz PYZDRBZHQQGRRM-OAHLLOKOSA-N 1 2 297.402 2.955 20 70 CFIDLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1)c1ccccc1 ZINC000159829639 378731532 /nfs/dbraw/zinc/73/15/32/378731532.db2.gz PYZDRBZHQQGRRM-OAHLLOKOSA-N 1 2 297.402 2.955 20 70 CFIDLO Nc1nc(N[C@@H]2CCO[C@H](C3CC3)C2)[nH+]c2ccccc12 ZINC000160391460 378768560 /nfs/dbraw/zinc/76/85/60/378768560.db2.gz USGURHLWIMYUJM-RISCZKNCSA-N 1 2 284.363 2.582 20 70 CFIDLO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)[N@H+](C)Cc1cccnc1 ZINC000160483772 378776584 /nfs/dbraw/zinc/77/65/84/378776584.db2.gz OIWMJURFOKAUKU-LZWOXQAQSA-N 1 2 289.423 2.597 20 70 CFIDLO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)[N@@H+](C)Cc1cccnc1 ZINC000160483772 378776588 /nfs/dbraw/zinc/77/65/88/378776588.db2.gz OIWMJURFOKAUKU-LZWOXQAQSA-N 1 2 289.423 2.597 20 70 CFIDLO Cc1nn(C)cc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000160530827 378779617 /nfs/dbraw/zinc/77/96/17/378779617.db2.gz NLHONOGFIHQXGO-UHFFFAOYSA-N 1 2 267.336 2.526 20 70 CFIDLO Cn1nncc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000160701198 378791228 /nfs/dbraw/zinc/79/12/28/378791228.db2.gz QEEJIKAARCTIBA-ZDUSSCGKSA-N 1 2 299.403 2.762 20 70 CFIDLO Cn1nncc1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000160701198 378791233 /nfs/dbraw/zinc/79/12/33/378791233.db2.gz QEEJIKAARCTIBA-ZDUSSCGKSA-N 1 2 299.403 2.762 20 70 CFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1occc1C ZINC000161271281 378835150 /nfs/dbraw/zinc/83/51/50/378835150.db2.gz TWMQORINUMTKNQ-GFCCVEGCSA-N 1 2 251.326 2.506 20 70 CFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1occc1C ZINC000161271281 378835155 /nfs/dbraw/zinc/83/51/55/378835155.db2.gz TWMQORINUMTKNQ-GFCCVEGCSA-N 1 2 251.326 2.506 20 70 CFIDLO CO[C@H](C)c1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161170455 378828011 /nfs/dbraw/zinc/82/80/11/378828011.db2.gz XFHJOAQDTYYEQO-OCCSQVGLSA-N 1 2 299.374 2.792 20 70 CFIDLO CC(C)(C)C[C@@H](CO)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000161460736 378849041 /nfs/dbraw/zinc/84/90/41/378849041.db2.gz IAMBRIOABPVHNP-ZDUSSCGKSA-N 1 2 292.427 2.676 20 70 CFIDLO CC(C)(C)C[C@@H](CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000161460736 378849049 /nfs/dbraw/zinc/84/90/49/378849049.db2.gz IAMBRIOABPVHNP-ZDUSSCGKSA-N 1 2 292.427 2.676 20 70 CFIDLO COc1ccc([C@@H](C)[N@H+](C)Cc2nccn2C)cc1 ZINC000160748997 533100191 /nfs/dbraw/zinc/10/01/91/533100191.db2.gz GKHUWFJEFPOBPG-GFCCVEGCSA-N 1 2 259.353 2.622 20 70 CFIDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2nccn2C)cc1 ZINC000160748997 533100198 /nfs/dbraw/zinc/10/01/98/533100198.db2.gz GKHUWFJEFPOBPG-GFCCVEGCSA-N 1 2 259.353 2.622 20 70 CFIDLO C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000160035730 277848012 /nfs/dbraw/zinc/84/80/12/277848012.db2.gz LKZHMNUVJUVWHB-OLZOCXBDSA-N 1 2 281.359 2.596 20 70 CFIDLO CCOC(=O)C(C)(C)[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000160559377 322339714 /nfs/dbraw/zinc/33/97/14/322339714.db2.gz PPAJEJNZQTYZSQ-UHFFFAOYSA-N 1 2 291.391 2.841 20 70 CFIDLO CCOC(=O)C(C)(C)[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000160559377 322339717 /nfs/dbraw/zinc/33/97/17/322339717.db2.gz PPAJEJNZQTYZSQ-UHFFFAOYSA-N 1 2 291.391 2.841 20 70 CFIDLO Cn1cc[nH+]c1CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000160763318 322342369 /nfs/dbraw/zinc/34/23/69/322342369.db2.gz VCQMFRNIZMTOMN-SFHVURJKSA-N 1 2 292.386 2.827 20 70 CFIDLO CCc1nnc([C@@H](C)[N@H+](CC)Cc2ccccn2)o1 ZINC000161041076 322346432 /nfs/dbraw/zinc/34/64/32/322346432.db2.gz QQXOGKHKMCTHDA-LLVKDONJSA-N 1 2 260.341 2.610 20 70 CFIDLO CCc1nnc([C@@H](C)[N@@H+](CC)Cc2ccccn2)o1 ZINC000161041076 322346434 /nfs/dbraw/zinc/34/64/34/322346434.db2.gz QQXOGKHKMCTHDA-LLVKDONJSA-N 1 2 260.341 2.610 20 70 CFIDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1nccs1)c1nccs1 ZINC000161134763 322347464 /nfs/dbraw/zinc/34/74/64/322347464.db2.gz UPCVTFKHFTUCBG-BDAKNGLRSA-N 1 2 296.421 2.668 20 70 CFIDLO O=C(NC1CC(c2ccccc2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161370879 322350752 /nfs/dbraw/zinc/35/07/52/322350752.db2.gz RKCDGVSANNSMAJ-FHERZECASA-N 1 2 295.386 2.508 20 70 CFIDLO COc1cccc(C[NH2+]C2(c3noc(C)n3)CCCC2)c1 ZINC000161368626 322351029 /nfs/dbraw/zinc/35/10/29/322351029.db2.gz GFZSHHULTIONMY-UHFFFAOYSA-N 1 2 287.363 2.946 20 70 CFIDLO CCO[C@@H](C)c1nccn1Cc1cn2c(cccc2C)[nH+]1 ZINC000161482596 322352335 /nfs/dbraw/zinc/35/23/35/322352335.db2.gz POZPNLNUWQVOBP-ZDUSSCGKSA-N 1 2 284.363 2.985 20 70 CFIDLO CC[C@@H]1CCCCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000160811058 523143221 /nfs/dbraw/zinc/14/32/21/523143221.db2.gz MRJMFINHUCPFJD-ZIAGYGMSSA-N 1 2 278.400 2.636 20 70 CFIDLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1C1CC1 ZINC000159933263 526337961 /nfs/dbraw/zinc/33/79/61/526337961.db2.gz NLNXCEOWVDUBAT-MRXNPFEDSA-N 1 2 297.406 2.962 20 70 CFIDLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1C1CC1 ZINC000159933263 526337965 /nfs/dbraw/zinc/33/79/65/526337965.db2.gz NLNXCEOWVDUBAT-MRXNPFEDSA-N 1 2 297.406 2.962 20 70 CFIDLO O=C(CCCn1cc[nH+]c1)Nc1cccc(OCCF)c1 ZINC000160654706 539828487 /nfs/dbraw/zinc/82/84/87/539828487.db2.gz BJBVZGSALAJPOQ-UHFFFAOYSA-N 1 2 291.326 2.650 20 70 CFIDLO CCCc1noc(C[N@H+](CC)CCc2nccs2)n1 ZINC000159437888 378709115 /nfs/dbraw/zinc/70/91/15/378709115.db2.gz PHDKBXYQEOJGJA-UHFFFAOYSA-N 1 2 280.397 2.543 20 70 CFIDLO CCCc1noc(C[N@@H+](CC)CCc2nccs2)n1 ZINC000159437888 378709121 /nfs/dbraw/zinc/70/91/21/378709121.db2.gz PHDKBXYQEOJGJA-UHFFFAOYSA-N 1 2 280.397 2.543 20 70 CFIDLO COc1cc[nH+]cc1NC(=O)c1cnn(CC(C)C)c1C ZINC000160452963 378774636 /nfs/dbraw/zinc/77/46/36/378774636.db2.gz XNIBNENLECUKHS-UHFFFAOYSA-N 1 2 288.351 2.503 20 70 CFIDLO CC(=O)NC1CCC([NH2+]c2ccc(N(C)C)cc2)CC1 ZINC000161125063 378824581 /nfs/dbraw/zinc/82/45/81/378824581.db2.gz AMGNVMREPJRMQM-UHFFFAOYSA-N 1 2 275.396 2.612 20 70 CFIDLO CC(=O)NC1CCC(Nc2ccc([NH+](C)C)cc2)CC1 ZINC000161125063 378824585 /nfs/dbraw/zinc/82/45/85/378824585.db2.gz AMGNVMREPJRMQM-UHFFFAOYSA-N 1 2 275.396 2.612 20 70 CFIDLO CCCc1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159830949 322328862 /nfs/dbraw/zinc/32/88/62/322328862.db2.gz DSZVGTSZUSNPJR-UHFFFAOYSA-N 1 2 286.466 2.661 20 70 CFIDLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000159971219 322330820 /nfs/dbraw/zinc/33/08/20/322330820.db2.gz WREXBIHGEBGDTC-MGPQQGTHSA-N 1 2 275.396 2.675 20 70 CFIDLO Cn1ccnc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000160736322 322342459 /nfs/dbraw/zinc/34/24/59/322342459.db2.gz PKSQIEMGBFFCCU-UHFFFAOYSA-N 1 2 283.375 2.515 20 70 CFIDLO Cn1cc[nH+]c1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000160736322 322342461 /nfs/dbraw/zinc/34/24/61/322342461.db2.gz PKSQIEMGBFFCCU-UHFFFAOYSA-N 1 2 283.375 2.515 20 70 CFIDLO Cn1cc[nH+]c1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000160763460 322342727 /nfs/dbraw/zinc/34/27/27/322342727.db2.gz VCQMFRNIZMTOMN-GOSISDBHSA-N 1 2 292.386 2.827 20 70 CFIDLO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000160811087 322343707 /nfs/dbraw/zinc/34/37/07/322343707.db2.gz IYLIYQHIIIMAPI-ZDUSSCGKSA-N 1 2 276.771 2.806 20 70 CFIDLO Cn1cnnc1C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000160811087 322343711 /nfs/dbraw/zinc/34/37/11/322343711.db2.gz IYLIYQHIIIMAPI-ZDUSSCGKSA-N 1 2 276.771 2.806 20 70 CFIDLO Cc1cc(N[C@H]2CC[C@@H](CO)CC2)nc(-c2ccncc2)[nH+]1 ZINC000161304761 322349659 /nfs/dbraw/zinc/34/96/59/322349659.db2.gz HNYMAJQGHMMWOP-CTYIDZIISA-N 1 2 298.390 2.810 20 70 CFIDLO COC(C[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C)OC ZINC000161066790 522533499 /nfs/dbraw/zinc/53/34/99/522533499.db2.gz DTXSBIQDDMZZOH-FZMZJTMJSA-N 1 2 299.798 2.721 20 70 CFIDLO COC(C[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C)OC ZINC000161066790 522533507 /nfs/dbraw/zinc/53/35/07/522533507.db2.gz DTXSBIQDDMZZOH-FZMZJTMJSA-N 1 2 299.798 2.721 20 70 CFIDLO Cc1cc(C)cc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161481499 524468196 /nfs/dbraw/zinc/46/81/96/524468196.db2.gz BHCFGPDCMYACBS-GJZGRUSLSA-N 1 2 297.402 2.940 20 70 CFIDLO Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159432523 525685404 /nfs/dbraw/zinc/68/54/04/525685404.db2.gz HOUPLNDKXXZOQC-GDBMZVCRSA-N 1 2 297.402 2.974 20 70 CFIDLO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159381029 525714464 /nfs/dbraw/zinc/71/44/64/525714464.db2.gz RUTLTASGOGBTLL-HIFRSBDPSA-N 1 2 283.375 2.631 20 70 CFIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc[nH+]cc1O ZINC000161503669 525894374 /nfs/dbraw/zinc/89/43/74/525894374.db2.gz GNQGLOXFTJSEOJ-UWVGGRQHSA-N 1 2 274.345 2.899 20 70 CFIDLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000159970944 526461012 /nfs/dbraw/zinc/46/10/12/526461012.db2.gz WREXBIHGEBGDTC-BFHYXJOUSA-N 1 2 275.396 2.675 20 70 CFIDLO CC1(C)C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000160646439 136551261 /nfs/dbraw/zinc/55/12/61/136551261.db2.gz WHNAVKGYJCNQTA-CYBMUJFWSA-N 1 2 290.411 2.836 20 70 CFIDLO CC1(C)C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000160646439 136551262 /nfs/dbraw/zinc/55/12/62/136551262.db2.gz WHNAVKGYJCNQTA-CYBMUJFWSA-N 1 2 290.411 2.836 20 70 CFIDLO CC(C)(C)CC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000218664641 348167079 /nfs/dbraw/zinc/16/70/79/348167079.db2.gz JINRGYZYOGDXJF-UHFFFAOYSA-N 1 2 280.334 2.519 20 70 CFIDLO CC[C@H](NC(=O)CCCn1cc[nH+]c1)c1c(C)noc1C ZINC000159972144 541019175 /nfs/dbraw/zinc/01/91/75/541019175.db2.gz HANXZBUCQBQPFF-ZDUSSCGKSA-N 1 2 290.367 2.536 20 70 CFIDLO C[C@@H]1CCN(C(=O)NCc2cn3ccccc3[nH+]2)C[C@@H]1C ZINC000159887949 378736134 /nfs/dbraw/zinc/73/61/34/378736134.db2.gz SAZDEBAZYWVMPI-OLZOCXBDSA-N 1 2 286.379 2.522 20 70 CFIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C1=C(C)OCCC1 ZINC000160170322 378754577 /nfs/dbraw/zinc/75/45/77/378754577.db2.gz HRXPGIRQNUTNKI-UHFFFAOYSA-N 1 2 299.374 2.545 20 70 CFIDLO CCSCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000160367641 378767288 /nfs/dbraw/zinc/76/72/88/378767288.db2.gz FBVQAJMOADPIIN-CQSZACIVSA-N 1 2 269.385 2.952 20 70 CFIDLO CCSCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000160367641 378767290 /nfs/dbraw/zinc/76/72/90/378767290.db2.gz FBVQAJMOADPIIN-CQSZACIVSA-N 1 2 269.385 2.952 20 70 CFIDLO c1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000160414593 378770728 /nfs/dbraw/zinc/77/07/28/378770728.db2.gz RZMHCJOPQKIFGS-STQMWFEESA-N 1 2 259.353 2.724 20 70 CFIDLO COC(=O)c1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000161224003 378831705 /nfs/dbraw/zinc/83/17/05/378831705.db2.gz SZHGTFQKQKNOKU-UHFFFAOYSA-N 1 2 283.331 2.753 20 70 CFIDLO CNC(=O)C(C)(C)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000161107290 378821018 /nfs/dbraw/zinc/82/10/18/378821018.db2.gz YSFIFHUQSGYROC-UHFFFAOYSA-N 1 2 289.354 2.866 20 70 CFIDLO Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000161416837 378846459 /nfs/dbraw/zinc/84/64/59/378846459.db2.gz JZZDMGRGZSSPKT-GFCCVEGCSA-N 1 2 263.385 2.871 20 70 CFIDLO FC(F)(F)c1cc[nH+]c(N2CCC(n3ccnn3)CC2)c1 ZINC000160195440 394366029 /nfs/dbraw/zinc/36/60/29/394366029.db2.gz CUFZBNBZGFYIMS-UHFFFAOYSA-N 1 2 297.284 2.533 20 70 CFIDLO COC(C[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C)OC ZINC000161066958 292079905 /nfs/dbraw/zinc/07/99/05/292079905.db2.gz DTXSBIQDDMZZOH-SMDDNHRTSA-N 1 2 299.798 2.721 20 70 CFIDLO COC(C[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C)OC ZINC000161066958 292079907 /nfs/dbraw/zinc/07/99/07/292079907.db2.gz DTXSBIQDDMZZOH-SMDDNHRTSA-N 1 2 299.798 2.721 20 70 CFIDLO Cc1c[nH+]ccc1NC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000159387939 279028189 /nfs/dbraw/zinc/02/81/89/279028189.db2.gz OCMISMVJWXGWIB-UHFFFAOYSA-N 1 2 297.358 2.600 20 70 CFIDLO Cc1cccn2cc(CNC(=O)CCCn3cccc3)[nH+]c12 ZINC000159455548 322323120 /nfs/dbraw/zinc/32/31/20/322323120.db2.gz HBHKDBZDNXYYOB-UHFFFAOYSA-N 1 2 296.374 2.541 20 70 CFIDLO CC(C)c1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159860563 322329423 /nfs/dbraw/zinc/32/94/23/322329423.db2.gz XLPDNVCCEBGOLG-UHFFFAOYSA-N 1 2 286.466 2.832 20 70 CFIDLO CCCC[C@H](COC)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000159883092 322329953 /nfs/dbraw/zinc/32/99/53/322329953.db2.gz QMOPVWXFYBIDSU-GFCCVEGCSA-N 1 2 295.431 2.678 20 70 CFIDLO CCCC[C@H](COC)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000159883092 322329955 /nfs/dbraw/zinc/32/99/55/322329955.db2.gz QMOPVWXFYBIDSU-GFCCVEGCSA-N 1 2 295.431 2.678 20 70 CFIDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(C)no1)c1nccs1 ZINC000161062332 322347178 /nfs/dbraw/zinc/34/71/78/322347178.db2.gz ZFQCRTRNBSHDDA-ZJUUUORDSA-N 1 2 294.380 2.507 20 70 CFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000161120606 322347490 /nfs/dbraw/zinc/34/74/90/322347490.db2.gz AXRZBTSMNJGZKD-OAHLLOKOSA-N 1 2 297.402 2.955 20 70 CFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000161120606 322347491 /nfs/dbraw/zinc/34/74/91/322347491.db2.gz AXRZBTSMNJGZKD-OAHLLOKOSA-N 1 2 297.402 2.955 20 70 CFIDLO CCSc1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000161361054 322350342 /nfs/dbraw/zinc/35/03/42/322350342.db2.gz GWAKZINVCOUDAW-UHFFFAOYSA-N 1 2 289.404 2.815 20 70 CFIDLO O=C(NC1CC(c2ccccc2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161370739 322350699 /nfs/dbraw/zinc/35/06/99/322350699.db2.gz RKCDGVSANNSMAJ-QQFBHYJXSA-N 1 2 295.386 2.508 20 70 CFIDLO CCO[C@H](C)c1nccn1Cc1[nH+]ccn1C(F)F ZINC000161457326 322352029 /nfs/dbraw/zinc/35/20/29/322352029.db2.gz ODCUGMHBYHSZBI-SECBINFHSA-N 1 2 270.283 2.621 20 70 CFIDLO C[C@H]1CCC[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000159954333 524129251 /nfs/dbraw/zinc/12/92/51/524129251.db2.gz WUEZXVCDCRWEQX-UONOGXRCSA-N 1 2 298.390 2.710 20 70 CFIDLO COc1ccc2c(c1)N(Cc1c[nH+]c3ccccn13)CCO2 ZINC000160850127 525548167 /nfs/dbraw/zinc/54/81/67/525548167.db2.gz CWPXKUVHHOBEDM-UHFFFAOYSA-N 1 2 295.342 2.742 20 70 CFIDLO Cc1ccc([C@@H]2COCCN2Cc2c[nH+]c3ccccn23)o1 ZINC000160483390 525841437 /nfs/dbraw/zinc/84/14/37/525841437.db2.gz FYBWDKDOUSVKJD-HNNXBMFYSA-N 1 2 297.358 2.809 20 70 CFIDLO O=C(Nc1ccc2ncsc2c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159963153 527303185 /nfs/dbraw/zinc/30/31/85/527303185.db2.gz OVUQDIIUOWSDPQ-JTQLQIEISA-N 1 2 298.371 2.694 20 70 CFIDLO O=C(/C=C/C1CCCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161241396 527597408 /nfs/dbraw/zinc/59/74/08/527597408.db2.gz PSDSNTJDZQKDRR-ZNFPLGDCSA-N 1 2 299.418 2.913 20 70 CFIDLO CS[C@@H](C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000159974247 378740929 /nfs/dbraw/zinc/74/09/29/378740929.db2.gz SRSLMUVHKWHIFS-NSHDSACASA-N 1 2 275.377 2.952 20 70 CFIDLO c1cc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc(C2CC2)[nH+]1 ZINC000160020055 378742982 /nfs/dbraw/zinc/74/29/82/378742982.db2.gz NUVLRSYWCFRKGW-UBHSHLNASA-N 1 2 271.364 2.724 20 70 CFIDLO CC[N@H+](CCn1ccnc1)Cc1c(F)cccc1F ZINC000159790381 378730311 /nfs/dbraw/zinc/73/03/11/378730311.db2.gz NRYLGCCSXWUYJL-UHFFFAOYSA-N 1 2 265.307 2.683 20 70 CFIDLO CC[N@@H+](CCn1ccnc1)Cc1c(F)cccc1F ZINC000159790381 378730314 /nfs/dbraw/zinc/73/03/14/378730314.db2.gz NRYLGCCSXWUYJL-UHFFFAOYSA-N 1 2 265.307 2.683 20 70 CFIDLO c1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000160414713 378769933 /nfs/dbraw/zinc/76/99/33/378769933.db2.gz RZMHCJOPQKIFGS-CHWSQXEVSA-N 1 2 259.353 2.724 20 70 CFIDLO C[N@H+](Cc1cccc(F)c1Br)[C@H]1CCOC1 ZINC000160694902 378791281 /nfs/dbraw/zinc/79/12/81/378791281.db2.gz GIBWEZXMEBQNMT-JTQLQIEISA-N 1 2 288.160 2.809 20 70 CFIDLO C[N@@H+](Cc1cccc(F)c1Br)[C@H]1CCOC1 ZINC000160694902 378791287 /nfs/dbraw/zinc/79/12/87/378791287.db2.gz GIBWEZXMEBQNMT-JTQLQIEISA-N 1 2 288.160 2.809 20 70 CFIDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1nnc2n1CCC2 ZINC000160761975 378796883 /nfs/dbraw/zinc/79/68/83/378796883.db2.gz YFDZJQVQUIOSCF-SECBINFHSA-N 1 2 294.761 2.868 20 70 CFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1 ZINC000161102503 378821637 /nfs/dbraw/zinc/82/16/37/378821637.db2.gz NVIQOLQYJGGHNA-CQSZACIVSA-N 1 2 283.375 2.931 20 70 CFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1 ZINC000161102503 378821640 /nfs/dbraw/zinc/82/16/40/378821640.db2.gz NVIQOLQYJGGHNA-CQSZACIVSA-N 1 2 283.375 2.931 20 70 CFIDLO CC(=O)NC1CCC(Nc2ccc([NH+](C)C)c(C)c2)CC1 ZINC000161144682 378825722 /nfs/dbraw/zinc/82/57/22/378825722.db2.gz ZJZDWWCFPJIEKW-UHFFFAOYSA-N 1 2 289.423 2.920 20 70 CFIDLO CC(=O)NC1CCC([NH2+]c2ccc(N(C)C)c(C)c2)CC1 ZINC000161144682 378825730 /nfs/dbraw/zinc/82/57/30/378825730.db2.gz ZJZDWWCFPJIEKW-UHFFFAOYSA-N 1 2 289.423 2.920 20 70 CFIDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000218171134 382789566 /nfs/dbraw/zinc/78/95/66/382789566.db2.gz PZCSOXCNWVJVIU-JKSUJKDBSA-N 1 2 291.391 2.792 20 70 CFIDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000218171134 382789569 /nfs/dbraw/zinc/78/95/69/382789569.db2.gz PZCSOXCNWVJVIU-JKSUJKDBSA-N 1 2 291.391 2.792 20 70 CFIDLO C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000160035473 394366139 /nfs/dbraw/zinc/36/61/39/394366139.db2.gz LKZHMNUVJUVWHB-CHWSQXEVSA-N 1 2 281.359 2.596 20 70 CFIDLO Cc1cc(NC(=O)c2cc3c([nH]c2=O)CCCCC3)cc[nH+]1 ZINC000159923944 280619257 /nfs/dbraw/zinc/61/92/57/280619257.db2.gz BIRYOXHQKQKTGR-UHFFFAOYSA-N 1 2 297.358 2.600 20 70 CFIDLO CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000159967247 322331118 /nfs/dbraw/zinc/33/11/18/322331118.db2.gz MBSAPKDUQZWKPE-RBSFLKMASA-N 1 2 289.423 2.985 20 70 CFIDLO Cn1cnnc1C[N@H+](C)Cc1csc2ccccc12 ZINC000160791322 322343068 /nfs/dbraw/zinc/34/30/68/322343068.db2.gz LSKSKIKMBHZXSO-UHFFFAOYSA-N 1 2 272.377 2.662 20 70 CFIDLO Cn1cnnc1C[N@@H+](C)Cc1csc2ccccc12 ZINC000160791322 322343071 /nfs/dbraw/zinc/34/30/71/322343071.db2.gz LSKSKIKMBHZXSO-UHFFFAOYSA-N 1 2 272.377 2.662 20 70 CFIDLO CCC1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160239460 519851530 /nfs/dbraw/zinc/85/15/30/519851530.db2.gz VPMDBYHQZGNTOE-YMAMQOFZSA-N 1 2 289.423 2.778 20 70 CFIDLO CC[C@H](NC(=O)[C@H](C)c1ccccc1)c1[nH]cc[nH+]1 ZINC000218078577 522508135 /nfs/dbraw/zinc/50/81/35/522508135.db2.gz ORZHIFHXFJLHCL-YPMHNXCESA-N 1 2 257.337 2.781 20 70 CFIDLO Cc1ccc([C@H]2COCCN2Cc2c[nH+]c3ccccn23)o1 ZINC000160483516 526030050 /nfs/dbraw/zinc/03/00/50/526030050.db2.gz FYBWDKDOUSVKJD-OAHLLOKOSA-N 1 2 297.358 2.809 20 70 CFIDLO Cc1nc(C2CC[NH+](Cc3nccn3C(C)C)CC2)no1 ZINC000160891545 526782301 /nfs/dbraw/zinc/78/23/01/526782301.db2.gz VVQUWPOCTSRQEF-UHFFFAOYSA-N 1 2 289.383 2.535 20 70 CFIDLO CCCc1nc(C[N@H+](CCc2nccs2)C(C)C)no1 ZINC000159807995 528745251 /nfs/dbraw/zinc/74/52/51/528745251.db2.gz INXYJWKKBUTHJJ-UHFFFAOYSA-N 1 2 294.424 2.932 20 70 CFIDLO CCCc1nc(C[N@@H+](CCc2nccs2)C(C)C)no1 ZINC000159807995 528745255 /nfs/dbraw/zinc/74/52/55/528745255.db2.gz INXYJWKKBUTHJJ-UHFFFAOYSA-N 1 2 294.424 2.932 20 70 CFIDLO Cc1nc(C2([NH2+]Cc3cccs3)CCCC2)no1 ZINC000161364761 348024104 /nfs/dbraw/zinc/02/41/04/348024104.db2.gz UGRAZHRUQYOEMD-UHFFFAOYSA-N 1 2 263.366 2.999 20 70 CFIDLO CN(Cc1[nH+]ccn1C)C(=O)C1(Cc2ccccc2)CCC1 ZINC000160147697 188457042 /nfs/dbraw/zinc/45/70/42/188457042.db2.gz GRWOISSVDSXIEH-UHFFFAOYSA-N 1 2 297.402 2.792 20 70 CFIDLO Cc1cc(N(C)CC2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000161282206 541579053 /nfs/dbraw/zinc/57/90/53/541579053.db2.gz XTIDZNKOYCOXFS-UHFFFAOYSA-N 1 2 298.390 2.710 20 70 CFIDLO CCc1ccc([C@H](C)CC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000159864032 378735888 /nfs/dbraw/zinc/73/58/88/378735888.db2.gz WJGHXFRZXIZJSF-GFCCVEGCSA-N 1 2 271.364 2.782 20 70 CFIDLO CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000160020930 378743074 /nfs/dbraw/zinc/74/30/74/378743074.db2.gz YFRILODACGUORX-MRXNPFEDSA-N 1 2 288.435 2.841 20 70 CFIDLO CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000160020930 378743079 /nfs/dbraw/zinc/74/30/79/378743079.db2.gz YFRILODACGUORX-MRXNPFEDSA-N 1 2 288.435 2.841 20 70 CFIDLO CC[C@@H](C)OCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000159385258 378707560 /nfs/dbraw/zinc/70/75/60/378707560.db2.gz LBYCUSVZMYFNSX-GFCCVEGCSA-N 1 2 287.363 2.841 20 70 CFIDLO CC[C@H]1CCC[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000159675401 378724886 /nfs/dbraw/zinc/72/48/86/378724886.db2.gz OLRRXTZKPQAXCM-JSGCOSHPSA-N 1 2 271.364 2.572 20 70 CFIDLO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000159726679 378728087 /nfs/dbraw/zinc/72/80/87/378728087.db2.gz FDVRCHFKPCRMTN-GHMZBOCLSA-N 1 2 284.350 2.776 20 70 CFIDLO CCc1nnc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)[nH]1 ZINC000160309071 378762603 /nfs/dbraw/zinc/76/26/03/378762603.db2.gz VKKQBRJKWGXQNI-SECBINFHSA-N 1 2 296.321 2.819 20 70 CFIDLO CCc1nnc(C[NH2+][C@H](CC)c2ccc(F)cc2F)[nH]1 ZINC000160451915 378774112 /nfs/dbraw/zinc/77/41/12/378774112.db2.gz CEXVSOVNKGDWJF-GFCCVEGCSA-N 1 2 280.322 2.886 20 70 CFIDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccn(-c2ccccc2)n1 ZINC000161136891 378824858 /nfs/dbraw/zinc/82/48/58/378824858.db2.gz KBCCZNHPAIVVSX-UHFFFAOYSA-N 1 2 295.390 2.628 20 70 CFIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccn(-c2ccccc2)n1 ZINC000161136891 378824865 /nfs/dbraw/zinc/82/48/65/378824865.db2.gz KBCCZNHPAIVVSX-UHFFFAOYSA-N 1 2 295.390 2.628 20 70 CFIDLO C[C@H]1C[N@H+](CCC(=O)c2ccc(F)cc2)[C@@H](C)CO1 ZINC000218349161 382789747 /nfs/dbraw/zinc/78/97/47/382789747.db2.gz CTRBDMATHBEVBO-RYUDHWBXSA-N 1 2 265.328 2.508 20 70 CFIDLO C[C@H]1C[N@@H+](CCC(=O)c2ccc(F)cc2)[C@@H](C)CO1 ZINC000218349161 382789748 /nfs/dbraw/zinc/78/97/48/382789748.db2.gz CTRBDMATHBEVBO-RYUDHWBXSA-N 1 2 265.328 2.508 20 70 CFIDLO CCn1cnnc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000218231781 382790079 /nfs/dbraw/zinc/79/00/79/382790079.db2.gz ZRUNAYZIULSZJW-UHFFFAOYSA-N 1 2 284.285 2.607 20 70 CFIDLO COC(=O)[C@@H](CC(C)C)[NH2+]C/C=C\c1ccccc1 ZINC000218757339 393758168 /nfs/dbraw/zinc/75/81/68/393758168.db2.gz LTJJSKYZZPJVAQ-YYRKOSNBSA-N 1 2 261.365 2.877 20 70 CFIDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000218231311 397621154 /nfs/dbraw/zinc/62/11/54/397621154.db2.gz JUVCDBLBTUOGGD-VIFPVBQESA-N 1 2 282.750 2.941 20 70 CFIDLO CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000160003768 520217705 /nfs/dbraw/zinc/21/77/05/520217705.db2.gz HQLWYMSROLRABP-NEPJUHHUSA-N 1 2 282.409 2.664 20 70 CFIDLO CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000160003768 520217698 /nfs/dbraw/zinc/21/76/98/520217698.db2.gz HQLWYMSROLRABP-NEPJUHHUSA-N 1 2 282.409 2.664 20 70 CFIDLO CCOC(=O)C[N@H+](C)CCc1c(F)cccc1Cl ZINC000159515750 520746260 /nfs/dbraw/zinc/74/62/60/520746260.db2.gz YWWNGMYKQZVCEC-UHFFFAOYSA-N 1 2 273.735 2.517 20 70 CFIDLO CCOC(=O)C[N@@H+](C)CCc1c(F)cccc1Cl ZINC000159515750 520746265 /nfs/dbraw/zinc/74/62/65/520746265.db2.gz YWWNGMYKQZVCEC-UHFFFAOYSA-N 1 2 273.735 2.517 20 70 CFIDLO CCCCSCCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000159834831 520949953 /nfs/dbraw/zinc/94/99/53/520949953.db2.gz VIPBTWONJIYOGT-UHFFFAOYSA-N 1 2 295.452 2.687 20 70 CFIDLO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000161353763 232251266 /nfs/dbraw/zinc/25/12/66/232251266.db2.gz GXUWJSIYRGBMNK-OAHLLOKOSA-N 1 2 298.390 2.533 20 70 CFIDLO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H]2c2nncn2C)cc1 ZINC000161353763 232251268 /nfs/dbraw/zinc/25/12/68/232251268.db2.gz GXUWJSIYRGBMNK-OAHLLOKOSA-N 1 2 298.390 2.533 20 70 CFIDLO Cc1nc(C2([NH2+]Cc3ccsc3)CCCC2)no1 ZINC000161365859 348023862 /nfs/dbraw/zinc/02/38/62/348023862.db2.gz XHOCFLDHRCUJNJ-UHFFFAOYSA-N 1 2 263.366 2.999 20 70 CFIDLO O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000216972639 348164571 /nfs/dbraw/zinc/16/45/71/348164571.db2.gz LZRUWSURAPUKDU-CVEARBPZSA-N 1 2 295.386 2.919 20 70 CFIDLO CC(C)c1nc(N[C@H](CC(N)=O)C2CCCCC2)cc[nH+]1 ZINC000161411044 541628417 /nfs/dbraw/zinc/62/84/17/541628417.db2.gz DUWMKDIIZWQQIR-CYBMUJFWSA-N 1 2 290.411 2.836 20 70 CFIDLO CC1(C)C[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000159875771 378736188 /nfs/dbraw/zinc/73/61/88/378736188.db2.gz APWFSVOFQPVOPY-NSHDSACASA-N 1 2 273.311 2.996 20 70 CFIDLO CCn1nccc1C[N@H+](C)Cc1ccccc1OC ZINC000160419044 378770350 /nfs/dbraw/zinc/77/03/50/378770350.db2.gz KCZWOIFWHPRRAG-UHFFFAOYSA-N 1 2 259.353 2.544 20 70 CFIDLO CCn1nccc1C[N@@H+](C)Cc1ccccc1OC ZINC000160419044 378770356 /nfs/dbraw/zinc/77/03/56/378770356.db2.gz KCZWOIFWHPRRAG-UHFFFAOYSA-N 1 2 259.353 2.544 20 70 CFIDLO c1csc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)c1 ZINC000160668076 378789207 /nfs/dbraw/zinc/78/92/07/378789207.db2.gz GTSFYBGMPATUAV-UHFFFAOYSA-N 1 2 286.404 2.742 20 70 CFIDLO Cc1nccc(N[C@H]2CC[C@H](Nc3cc[nH+]c(C)n3)CC2)n1 ZINC000160974552 378813168 /nfs/dbraw/zinc/81/31/68/378813168.db2.gz JEMWAMWBUDQNMV-OKILXGFUSA-N 1 2 298.394 2.719 20 70 CFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000161102388 378821540 /nfs/dbraw/zinc/82/15/40/378821540.db2.gz NVIQOLQYJGGHNA-AWEZNQCLSA-N 1 2 283.375 2.931 20 70 CFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000161102388 378821550 /nfs/dbraw/zinc/82/15/50/378821550.db2.gz NVIQOLQYJGGHNA-AWEZNQCLSA-N 1 2 283.375 2.931 20 70 CFIDLO NC(=O)C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000161411585 378844529 /nfs/dbraw/zinc/84/45/29/378844529.db2.gz SEOHQEXXDRPSCG-CYBMUJFWSA-N 1 2 288.395 2.590 20 70 CFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(CC)o1 ZINC000161259054 322349094 /nfs/dbraw/zinc/34/90/94/322349094.db2.gz AZIUEVOQDRUDLS-CQSZACIVSA-N 1 2 265.353 2.760 20 70 CFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(CC)o1 ZINC000161259054 322349103 /nfs/dbraw/zinc/34/91/03/322349103.db2.gz AZIUEVOQDRUDLS-CQSZACIVSA-N 1 2 265.353 2.760 20 70 CFIDLO CCOc1cccc(C[NH2+][C@H](COC)c2ccco2)n1 ZINC000159479676 322323408 /nfs/dbraw/zinc/32/34/08/322323408.db2.gz FQEVHOGKDSHMLG-CYBMUJFWSA-N 1 2 276.336 2.551 20 70 CFIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(C3CC3)o2)n1 ZINC000160148127 322333762 /nfs/dbraw/zinc/33/37/62/322333762.db2.gz BICXMDYZJSGNBP-CQSZACIVSA-N 1 2 284.363 2.988 20 70 CFIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnc(C3CC3)o2)n1 ZINC000160148127 322333764 /nfs/dbraw/zinc/33/37/64/322333764.db2.gz BICXMDYZJSGNBP-CQSZACIVSA-N 1 2 284.363 2.988 20 70 CFIDLO CC(C)c1nc(N(CCCO)CC(C)(C)C)cc[nH+]1 ZINC000161293381 322349934 /nfs/dbraw/zinc/34/99/34/322349934.db2.gz OXFYPKQCABIGFC-UHFFFAOYSA-N 1 2 265.401 2.835 20 70 CFIDLO Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161436412 322351815 /nfs/dbraw/zinc/35/18/15/322351815.db2.gz XMJHLQIIEKEGHV-CZUORRHYSA-N 1 2 295.386 2.558 20 70 CFIDLO CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161415192 519802826 /nfs/dbraw/zinc/80/28/26/519802826.db2.gz VIUJVRYSUPBMDL-KFWWJZLASA-N 1 2 289.423 2.777 20 70 CFIDLO CCN(Cc1c[nH+]c2ccccn12)CC(F)(F)F ZINC000159863650 521435739 /nfs/dbraw/zinc/43/57/39/521435739.db2.gz KMVNZVOYYCHYGQ-UHFFFAOYSA-N 1 2 257.259 2.719 20 70 CFIDLO CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161326157 522635422 /nfs/dbraw/zinc/63/54/22/522635422.db2.gz VHPSKDFNTGQMCS-CVEARBPZSA-N 1 2 297.402 2.583 20 70 CFIDLO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000160210990 522732148 /nfs/dbraw/zinc/73/21/48/522732148.db2.gz JXWILAWHIPMXKT-CYBMUJFWSA-N 1 2 272.352 2.673 20 70 CFIDLO CCc1nnc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000160210990 522732154 /nfs/dbraw/zinc/73/21/54/522732154.db2.gz JXWILAWHIPMXKT-CYBMUJFWSA-N 1 2 272.352 2.673 20 70 CFIDLO Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161481135 524459772 /nfs/dbraw/zinc/45/97/72/524459772.db2.gz BHCFGPDCMYACBS-HUUCEWRRSA-N 1 2 297.402 2.940 20 70 CFIDLO CCc1nc(C[N@H+](C)CCOCC2CC2)cs1 ZINC000159647020 529735255 /nfs/dbraw/zinc/73/52/55/529735255.db2.gz GIRZMLDXLVFHJM-UHFFFAOYSA-N 1 2 254.399 2.564 20 70 CFIDLO CCc1nc(C[N@@H+](C)CCOCC2CC2)cs1 ZINC000159647020 529735256 /nfs/dbraw/zinc/73/52/56/529735256.db2.gz GIRZMLDXLVFHJM-UHFFFAOYSA-N 1 2 254.399 2.564 20 70 CFIDLO Fc1ccc([C@H]2C[N@H+](CCOCC3CC3)CCO2)cc1F ZINC000160371666 232248382 /nfs/dbraw/zinc/24/83/82/232248382.db2.gz FNHADEHQKZAAPQ-MRXNPFEDSA-N 1 2 297.345 2.765 20 70 CFIDLO Fc1ccc([C@H]2C[N@@H+](CCOCC3CC3)CCO2)cc1F ZINC000160371666 232248384 /nfs/dbraw/zinc/24/83/84/232248384.db2.gz FNHADEHQKZAAPQ-MRXNPFEDSA-N 1 2 297.345 2.765 20 70 CFIDLO CC(C)c1cnc(SCCn2cc[nH+]c2)n1C ZINC000160163345 188458045 /nfs/dbraw/zinc/45/80/45/188458045.db2.gz XHTBMNDXZYVUGX-UHFFFAOYSA-N 1 2 250.371 2.532 20 70 CFIDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1nnc2n1CCC2 ZINC000160761836 188489790 /nfs/dbraw/zinc/48/97/90/188489790.db2.gz YFDZJQVQUIOSCF-VIFPVBQESA-N 1 2 294.761 2.868 20 70 CFIDLO CCC(C)(CC)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159369304 540991382 /nfs/dbraw/zinc/99/13/82/540991382.db2.gz OMMFDFATBPDFAT-ZDUSSCGKSA-N 1 2 275.396 2.603 20 70 CFIDLO O=C(CCCn1cc[nH+]c1)N[C@H]1CCCc2sccc21 ZINC000159839991 541013206 /nfs/dbraw/zinc/01/32/06/541013206.db2.gz AGWNJNQLIREKIA-ZDUSSCGKSA-N 1 2 289.404 2.919 20 70 CFIDLO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCc2sccc21 ZINC000159839878 541013302 /nfs/dbraw/zinc/01/33/02/541013302.db2.gz AGWNJNQLIREKIA-CYBMUJFWSA-N 1 2 289.404 2.919 20 70 CFIDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1cccnc1 ZINC000159923484 378738729 /nfs/dbraw/zinc/73/87/29/378738729.db2.gz MFDHADUDJKXYMP-QLFBSQMISA-N 1 2 289.423 2.691 20 70 CFIDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1cccnc1 ZINC000159923484 378738734 /nfs/dbraw/zinc/73/87/34/378738734.db2.gz MFDHADUDJKXYMP-QLFBSQMISA-N 1 2 289.423 2.691 20 70 CFIDLO CC[C@@H]1CCC[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000159675280 378725026 /nfs/dbraw/zinc/72/50/26/378725026.db2.gz OLRRXTZKPQAXCM-OCCSQVGLSA-N 1 2 271.364 2.572 20 70 CFIDLO CCN(CC)c1ccc(CNC(=O)C[C@H](C)SC)c[nH+]1 ZINC000159774953 378729395 /nfs/dbraw/zinc/72/93/95/378729395.db2.gz IGEVDXIUXUSMQM-LBPRGKRZSA-N 1 2 295.452 2.686 20 70 CFIDLO CCSCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000160367500 378767339 /nfs/dbraw/zinc/76/73/39/378767339.db2.gz FBVQAJMOADPIIN-AWEZNQCLSA-N 1 2 269.385 2.952 20 70 CFIDLO CCSCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000160367500 378767343 /nfs/dbraw/zinc/76/73/43/378767343.db2.gz FBVQAJMOADPIIN-AWEZNQCLSA-N 1 2 269.385 2.952 20 70 CFIDLO NC(=O)C[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000161411441 378844707 /nfs/dbraw/zinc/84/47/07/378844707.db2.gz SEOHQEXXDRPSCG-ZDUSSCGKSA-N 1 2 288.395 2.590 20 70 CFIDLO Cc1cc2ccccc2[nH+]c1N1CCC(n2ccnn2)CC1 ZINC000160196848 394366076 /nfs/dbraw/zinc/36/60/76/394366076.db2.gz NCJDINKGJIUBBY-UHFFFAOYSA-N 1 2 293.374 2.976 20 70 CFIDLO O=C(/C=C\c1ccc(F)c(Cl)c1)NCc1[nH]cc[nH+]1 ZINC000217008191 262275560 /nfs/dbraw/zinc/27/55/60/262275560.db2.gz XXDXQYVHKFUVLR-RQOWECAXSA-N 1 2 279.702 2.532 20 70 CFIDLO Cc1ccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)cc1Cl ZINC000217011531 262278404 /nfs/dbraw/zinc/27/84/04/262278404.db2.gz KYRCXQQMOOFWEL-PLNGDYQASA-N 1 2 275.739 2.701 20 70 CFIDLO Clc1ccccc1[C@@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000159809004 279296135 /nfs/dbraw/zinc/29/61/35/279296135.db2.gz TYBSKIAVQJUGPM-HNNXBMFYSA-N 1 2 291.782 2.610 20 70 CFIDLO CC(C)[N@H+](CCc1nccs1)CC(=O)OC(C)(C)C ZINC000159924045 322330435 /nfs/dbraw/zinc/33/04/35/322330435.db2.gz GAJULMJJNNDUMI-UHFFFAOYSA-N 1 2 284.425 2.738 20 70 CFIDLO CC(C)[N@@H+](CCc1nccs1)CC(=O)OC(C)(C)C ZINC000159924045 322330438 /nfs/dbraw/zinc/33/04/38/322330438.db2.gz GAJULMJJNNDUMI-UHFFFAOYSA-N 1 2 284.425 2.738 20 70 CFIDLO CCCn1c(C)nnc1C[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000160108618 322333087 /nfs/dbraw/zinc/33/30/87/322333087.db2.gz VVNQLPFVFPMWJP-CZUORRHYSA-N 1 2 294.443 2.632 20 70 CFIDLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000160108618 322333091 /nfs/dbraw/zinc/33/30/91/322333091.db2.gz VVNQLPFVFPMWJP-CZUORRHYSA-N 1 2 294.443 2.632 20 70 CFIDLO CC(C)c1nc(N2CCN(c3cccs3)CC2)cc[nH+]1 ZINC000160684518 322341428 /nfs/dbraw/zinc/34/14/28/322341428.db2.gz YGBOICAPPIRPMW-UHFFFAOYSA-N 1 2 288.420 2.988 20 70 CFIDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nncn1C ZINC000160814675 322343431 /nfs/dbraw/zinc/34/34/31/322343431.db2.gz KQFDOPRNNRXUDC-SNVBAGLBSA-N 1 2 264.760 2.662 20 70 CFIDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nncn1C ZINC000160814675 322343433 /nfs/dbraw/zinc/34/34/33/322343433.db2.gz KQFDOPRNNRXUDC-SNVBAGLBSA-N 1 2 264.760 2.662 20 70 CFIDLO Cn1cnnc1C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000160834807 322343554 /nfs/dbraw/zinc/34/35/54/322343554.db2.gz ANSQISCLKDAYRA-MRXNPFEDSA-N 1 2 282.391 2.857 20 70 CFIDLO Cn1cnnc1C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000160834807 322343556 /nfs/dbraw/zinc/34/35/56/322343556.db2.gz ANSQISCLKDAYRA-MRXNPFEDSA-N 1 2 282.391 2.857 20 70 CFIDLO CC[N@H+](Cc1nncn1C)[C@@H](C)c1ccc(F)cc1 ZINC000160807380 322343625 /nfs/dbraw/zinc/34/36/25/322343625.db2.gz JOOCJIVWEJRFNB-NSHDSACASA-N 1 2 262.332 2.537 20 70 CFIDLO CC[N@@H+](Cc1nncn1C)[C@@H](C)c1ccc(F)cc1 ZINC000160807380 322343628 /nfs/dbraw/zinc/34/36/28/322343628.db2.gz JOOCJIVWEJRFNB-NSHDSACASA-N 1 2 262.332 2.537 20 70 CFIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000159977813 520214893 /nfs/dbraw/zinc/21/48/93/520214893.db2.gz UFUJDLMDDLGJHM-CYBMUJFWSA-N 1 2 283.412 2.752 20 70 CFIDLO CCCCOC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159860949 520708439 /nfs/dbraw/zinc/70/84/39/520708439.db2.gz UAAHAXYCWNDXBB-OAHLLOKOSA-N 1 2 276.380 2.870 20 70 CFIDLO CCCCOC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159860949 520708446 /nfs/dbraw/zinc/70/84/46/520708446.db2.gz UAAHAXYCWNDXBB-OAHLLOKOSA-N 1 2 276.380 2.870 20 70 CFIDLO CC[C@@H]1CCCCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160810800 523142780 /nfs/dbraw/zinc/14/27/80/523142780.db2.gz MRJMFINHUCPFJD-UONOGXRCSA-N 1 2 278.400 2.636 20 70 CFIDLO CCn1cc[nH+]c1CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000160850834 523537756 /nfs/dbraw/zinc/53/77/56/523537756.db2.gz FYUOQVVRVWMFBW-ZBFHGGJFSA-N 1 2 285.391 2.865 20 70 CFIDLO C[C@H]1CCC[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000160043508 524126764 /nfs/dbraw/zinc/12/67/64/524126764.db2.gz HCYWOVSXRDYCAJ-UONOGXRCSA-N 1 2 289.423 2.704 20 70 CFIDLO CC[C@H](C)OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000159875208 188445916 /nfs/dbraw/zinc/44/59/16/188445916.db2.gz MYYYXOYZKHVLMC-NSHDSACASA-N 1 2 291.326 2.765 20 70 CFIDLO Cc1nc(N[C@@H]2CCN(c3ncccc3Cl)C2)cc[nH+]1 ZINC000160760930 541472091 /nfs/dbraw/zinc/47/20/91/541472091.db2.gz LAOBBEORLVONEO-LLVKDONJSA-N 1 2 289.770 2.524 20 70 CFIDLO CC[C@@H](C)OCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000159875063 378735808 /nfs/dbraw/zinc/73/58/08/378735808.db2.gz MYYYXOYZKHVLMC-LLVKDONJSA-N 1 2 291.326 2.765 20 70 CFIDLO CCc1noc([C@@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159867123 378735835 /nfs/dbraw/zinc/73/58/35/378735835.db2.gz LWFUVYUEKAECAU-GFCCVEGCSA-N 1 2 288.395 2.891 20 70 CFIDLO CCc1noc([C@@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159867123 378735837 /nfs/dbraw/zinc/73/58/37/378735837.db2.gz LWFUVYUEKAECAU-GFCCVEGCSA-N 1 2 288.395 2.891 20 70 CFIDLO Cc1cc(NC[C@](C)(O)c2ccccc2Cl)nc[nH+]1 ZINC000160150703 378752167 /nfs/dbraw/zinc/75/21/67/378752167.db2.gz DTMNPENWYIJIEJ-AWEZNQCLSA-N 1 2 277.755 2.758 20 70 CFIDLO CC(C)c1nc(N[C@@H]2CCO[C@H](C3CC3)C2)cc[nH+]1 ZINC000160348212 378765027 /nfs/dbraw/zinc/76/50/27/378765027.db2.gz FEMAZEVXRAXCSX-OLZOCXBDSA-N 1 2 261.369 2.970 20 70 CFIDLO CCc1nnc(C[NH2+]C2(c3cccc(Cl)c3)CC2)[nH]1 ZINC000160456229 378773606 /nfs/dbraw/zinc/77/36/06/378773606.db2.gz KVRSIQZDIRIEDQ-UHFFFAOYSA-N 1 2 276.771 2.799 20 70 CFIDLO CC[C@H](C)C[N@H+](CC)[C@H](C(=O)OC)c1cccnc1 ZINC000160571112 378783141 /nfs/dbraw/zinc/78/31/41/378783141.db2.gz CTTIXNHJDIYATH-JSGCOSHPSA-N 1 2 264.369 2.664 20 70 CFIDLO CC[C@H](C)C[N@@H+](CC)[C@H](C(=O)OC)c1cccnc1 ZINC000160571112 378783144 /nfs/dbraw/zinc/78/31/44/378783144.db2.gz CTTIXNHJDIYATH-JSGCOSHPSA-N 1 2 264.369 2.664 20 70 CFIDLO CCc1noc([C@H](C)[N@H+](CC)Cc2ccccn2)n1 ZINC000161058343 378818502 /nfs/dbraw/zinc/81/85/02/378818502.db2.gz IGWPIBIGXBUSGR-NSHDSACASA-N 1 2 260.341 2.610 20 70 CFIDLO CCc1noc([C@H](C)[N@@H+](CC)Cc2ccccn2)n1 ZINC000161058343 378818505 /nfs/dbraw/zinc/81/85/05/378818505.db2.gz IGWPIBIGXBUSGR-NSHDSACASA-N 1 2 260.341 2.610 20 70 CFIDLO O=C1[C@@H]([NH+]2Cc3ccccc3C2)CCCN1CC(F)(F)F ZINC000160024061 322332017 /nfs/dbraw/zinc/33/20/17/322332017.db2.gz PRPRKSNNQFOZAC-ZDUSSCGKSA-N 1 2 298.308 2.556 20 70 CFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)o2)n1 ZINC000160147993 322333530 /nfs/dbraw/zinc/33/35/30/322333530.db2.gz BICXMDYZJSGNBP-AWEZNQCLSA-N 1 2 284.363 2.988 20 70 CFIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(C3CC3)o2)n1 ZINC000160147993 322333532 /nfs/dbraw/zinc/33/35/32/322333532.db2.gz BICXMDYZJSGNBP-AWEZNQCLSA-N 1 2 284.363 2.988 20 70 CFIDLO Cn1cnnc1C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000160809960 322343594 /nfs/dbraw/zinc/34/35/94/322343594.db2.gz KGGYTFBFCHWEFK-UHFFFAOYSA-N 1 2 276.771 2.633 20 70 CFIDLO Cn1cnnc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000160809960 322343596 /nfs/dbraw/zinc/34/35/96/322343596.db2.gz KGGYTFBFCHWEFK-UHFFFAOYSA-N 1 2 276.771 2.633 20 70 CFIDLO Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161436658 322351731 /nfs/dbraw/zinc/35/17/31/322351731.db2.gz XMJHLQIIEKEGHV-XJKSGUPXSA-N 1 2 295.386 2.558 20 70 CFIDLO