smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H](C)C[C@H]1CN ZINC000333481753 300379831 /nfs/dbraw/zinc/37/98/31/300379831.db2.gz BNBSLBXUFCPZCX-FIQHERPVSA-N 0 3 303.428 0.188 10 0 DCAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181423308 199294430 /nfs/dbraw/zinc/29/44/30/199294430.db2.gz DETLBFMBHSETQG-LBPRGKRZSA-N 0 3 324.429 0.415 10 0 DCAEHN CN1C[C@@H](C(=O)NCCc2ccnn2C)[C@H](C(F)(F)F)C1 ZINC000299746355 529816488 /nfs/dbraw/zinc/81/64/88/529816488.db2.gz WUSVCOVSEVFHBB-GHMZBOCLSA-N 0 3 304.316 0.819 10 0 DCAEHN C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)C1=CCN(C)CC1 ZINC000272765682 210170404 /nfs/dbraw/zinc/17/04/04/210170404.db2.gz PLLOUDNUHNLMJL-AAEUAGOBSA-N 0 3 304.398 0.543 10 0 DCAEHN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C1=CCN(C)CC1 ZINC000272765686 210170465 /nfs/dbraw/zinc/17/04/65/210170465.db2.gz PLLOUDNUHNLMJL-WCQYABFASA-N 0 3 304.398 0.543 10 0 DCAEHN CN(C)C[C@H]1CN(C(=O)C(=O)NCc2ccc(F)cc2)CCO1 ZINC000173792565 198252028 /nfs/dbraw/zinc/25/20/28/198252028.db2.gz YXASRAFCOVUOSG-AWEZNQCLSA-N 0 3 323.368 0.231 10 0 DCAEHN CCC[C@@H](N)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC ZINC000236955952 202093091 /nfs/dbraw/zinc/09/30/91/202093091.db2.gz JLBYQOVUHFCIPP-CHWSQXEVSA-N 0 3 312.341 0.990 10 0 DCAEHN CNC(=O)c1cccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000181138147 199255621 /nfs/dbraw/zinc/25/56/21/199255621.db2.gz DMDPJEWPVWPHMD-AWEZNQCLSA-N 0 3 320.393 0.841 10 0 DCAEHN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCCn1ccnc1 ZINC000181078346 199250301 /nfs/dbraw/zinc/25/03/01/199250301.db2.gz ASUJYXGQTDEBGJ-ZDUSSCGKSA-N 0 3 321.425 0.331 10 0 DCAEHN CC1(C)CC[C@@H](CNC(=O)NCC2CCN(CCO)CC2)O1 ZINC000187067881 200055464 /nfs/dbraw/zinc/05/54/64/200055464.db2.gz SIWMOCJXFOYWGB-AWEZNQCLSA-N 0 3 313.442 0.948 10 0 DCAEHN C[C@H]1C[C@H](NC(=O)NCc2cc(C(N)=O)co2)CN1C1CC1 ZINC000187489475 237348670 /nfs/dbraw/zinc/34/86/70/237348670.db2.gz HPAITEYHWKLMHZ-ONGXEEELSA-N 0 3 306.366 0.803 10 0 DCAEHN C[C@@H]1CN(S(=O)(=O)N(C)CC2(N(C)C)CCC2)C[C@@H](C)O1 ZINC000189139345 237390645 /nfs/dbraw/zinc/39/06/45/237390645.db2.gz XRYVCDQYPGHRPT-CHWSQXEVSA-N 0 3 319.471 0.757 10 0 DCAEHN CCCn1nccc1NC(=O)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000153689147 291208244 /nfs/dbraw/zinc/20/82/44/291208244.db2.gz MVUPBLVZMHLKBV-LBPRGKRZSA-N 0 3 307.398 0.690 10 0 DCAEHN CCN1CCC[C@@H]1CN(C)S(=O)(=O)CCOCCOC ZINC000155356745 291219159 /nfs/dbraw/zinc/21/91/59/291219159.db2.gz MAXYMFGBICFINI-CYBMUJFWSA-N 0 3 308.444 0.395 10 0 DCAEHN COCCN1C[C@H](C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CC1=O ZINC000159077666 291233534 /nfs/dbraw/zinc/23/35/34/291233534.db2.gz LZUNBIPKXPUMEJ-MJBXVCDLSA-N 0 3 311.426 0.326 10 0 DCAEHN CCC[C@H](C(=O)NCCCN(C)S(=O)(=O)CC)N(C)C ZINC000161589748 291242132 /nfs/dbraw/zinc/24/21/32/291242132.db2.gz OJICWLUZVZYLMW-GFCCVEGCSA-N 0 3 307.460 0.505 10 0 DCAEHN COCCN(C)CCNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000162721127 291244508 /nfs/dbraw/zinc/24/45/08/291244508.db2.gz WPEOCSAPEIGZIS-ZDUSSCGKSA-N 0 3 310.394 0.641 10 0 DCAEHN CCN1CCN(C(=O)[C@@H](C)N2CCC(C(=O)N(C)C)CC2)CC1 ZINC000041106294 183166191 /nfs/dbraw/zinc/16/61/91/183166191.db2.gz HARFYPIZCLKVPU-CQSZACIVSA-N 0 3 324.469 0.339 10 0 DCAEHN CN(C)[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000104799972 194042210 /nfs/dbraw/zinc/04/22/10/194042210.db2.gz PZSDQDNTJFIIRR-HOTGVXAUSA-N 0 3 320.437 0.919 10 0 DCAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC000329893636 285273222 /nfs/dbraw/zinc/27/32/22/285273222.db2.gz JPEKKUMGKUYLIP-SOUVJXGZSA-N 0 3 311.426 0.565 10 0 DCAEHN O=S(=O)(C1CC1)N1CCO[C@H]2CN(CC3CC3)C[C@H]2C1 ZINC000247344059 257120296 /nfs/dbraw/zinc/12/02/96/257120296.db2.gz TZOVGVYBLZEWKO-JSGCOSHPSA-N 0 3 300.424 0.521 10 0 DCAEHN C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000103283415 395772877 /nfs/dbraw/zinc/77/28/77/395772877.db2.gz FOHKFAIIQUIRNO-OLZOCXBDSA-N 0 3 322.453 0.315 10 0 DCAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)C1 ZINC000270508914 395778389 /nfs/dbraw/zinc/77/83/89/395778389.db2.gz CHXJJVSOXFLIKJ-SNVBAGLBSA-N 0 3 305.382 0.010 10 0 DCAEHN O=C(CSc1nnnn1C1CC1)N1CCN2CCC[C@@H]2C1 ZINC000195327526 395824536 /nfs/dbraw/zinc/82/45/36/395824536.db2.gz CTFHDGDGHHUQSE-LLVKDONJSA-N 0 3 308.411 0.407 10 0 DCAEHN Cn1cc([C@H]2CCN(CCN3C(=O)NC(C)(C)C3=O)C2)cn1 ZINC000116313931 395843353 /nfs/dbraw/zinc/84/33/53/395843353.db2.gz QURMZFTZANJNAV-NSHDSACASA-N 0 3 305.382 0.540 10 0 DCAEHN CN(C)C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCO1 ZINC000116783371 395845323 /nfs/dbraw/zinc/84/53/23/395845323.db2.gz OJYZOWYLDLLTSG-ZDUSSCGKSA-N 0 3 319.405 0.656 10 0 DCAEHN CN(C)C[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)CCO1 ZINC000116788125 395845618 /nfs/dbraw/zinc/84/56/18/395845618.db2.gz GUYAAWZNKIPJKY-ZDUSSCGKSA-N 0 3 306.362 0.860 10 0 DCAEHN CCN1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000194633915 395802353 /nfs/dbraw/zinc/80/23/53/395802353.db2.gz PMHGTWGGCQTQAK-BLLLJJGKSA-N 0 3 322.409 0.307 10 0 DCAEHN CC1(C)CN(C(=O)C[C@H]2CSCCN2)CCS1(=O)=O ZINC000236635661 395895038 /nfs/dbraw/zinc/89/50/38/395895038.db2.gz UOFMFOMWWBQEBG-JTQLQIEISA-N 0 3 306.453 0.117 10 0 DCAEHN COCCNCCNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000237295665 395909681 /nfs/dbraw/zinc/90/96/81/395909681.db2.gz IZEHKXCMFYLHTO-AWEZNQCLSA-N 0 3 311.426 0.520 10 0 DCAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NC(=O)N[C@H](C)COC ZINC000245479420 395930683 /nfs/dbraw/zinc/93/06/83/395930683.db2.gz WIMZWHXCPVRXMM-CHWSQXEVSA-N 0 3 314.430 0.263 10 0 DCAEHN COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246304380 395946483 /nfs/dbraw/zinc/94/64/83/395946483.db2.gz DIDPZTCMUCUHBU-UTUOFQBUSA-N 0 3 304.412 0.294 10 0 DCAEHN COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1CCCN1C)CC2 ZINC000246328997 395946919 /nfs/dbraw/zinc/94/69/19/395946919.db2.gz GBVPRZGNKVBEHT-RYUDHWBXSA-N 0 3 322.413 0.133 10 0 DCAEHN O=C(CN1CCN2CCC[C@H]2C1)NCCOc1ccccc1 ZINC000246991622 395962685 /nfs/dbraw/zinc/96/26/85/395962685.db2.gz BAOHYDWGABIMBD-HNNXBMFYSA-N 0 3 303.406 0.962 10 0 DCAEHN COc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000150790451 395972600 /nfs/dbraw/zinc/97/26/00/395972600.db2.gz NMTQQJRYXYNAJF-AAEUAGOBSA-N 0 3 320.393 0.874 10 0 DCAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000247503526 395974708 /nfs/dbraw/zinc/97/47/08/395974708.db2.gz VGKZIRDAWJDMTG-OCCSQVGLSA-N 0 3 312.377 0.971 10 0 DCAEHN CN1CC[C@@H](NC(=O)NCC2(CO)COC2)[C@H]1c1ccccc1 ZINC000247965323 395979959 /nfs/dbraw/zinc/97/99/59/395979959.db2.gz DMYBZADKRVMYOM-HUUCEWRRSA-N 0 3 319.405 0.740 10 0 DCAEHN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN2CCCC[C@H]2C1 ZINC000248336835 395984507 /nfs/dbraw/zinc/98/45/07/395984507.db2.gz HEBILKFUGVTKMV-RYUDHWBXSA-N 0 3 305.430 0.751 10 0 DCAEHN COC(=O)C(C)(C)CN[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000151821260 395994147 /nfs/dbraw/zinc/99/41/47/395994147.db2.gz XCUIMEFSLNDAQL-NSHDSACASA-N 0 3 308.382 0.623 10 0 DCAEHN COc1ccccc1C(=O)NCC(=O)NC[C@@H]1CCCN1C ZINC000154920251 396044486 /nfs/dbraw/zinc/04/44/86/396044486.db2.gz RQDZZEFILHJJHQ-LBPRGKRZSA-N 0 3 305.378 0.635 10 0 DCAEHN CN(C(=O)C1(N)CCOCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000261646887 396051810 /nfs/dbraw/zinc/05/18/10/396051810.db2.gz AEWGFDABAJZUNT-CYBMUJFWSA-N 0 3 319.409 0.412 10 0 DCAEHN CNC(=O)c1cccc(CNC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261865563 396073402 /nfs/dbraw/zinc/07/34/02/396073402.db2.gz SNLIDCFBLBOJRN-CQSZACIVSA-N 0 3 305.378 0.416 10 0 DCAEHN NC1(C(=O)NCCC(=O)NCc2ccccc2)CCOCC1 ZINC000261770422 396064120 /nfs/dbraw/zinc/06/41/20/396064120.db2.gz GOYOHVWHWVNRIG-UHFFFAOYSA-N 0 3 305.378 0.317 10 0 DCAEHN CC1(C)NC(=O)N(CCN2CCNC[C@@H]2c2cccnc2)C1=O ZINC000261814779 396068790 /nfs/dbraw/zinc/06/87/90/396068790.db2.gz RUHZIOKWMSRTDW-CYBMUJFWSA-N 0 3 317.393 0.358 10 0 DCAEHN COc1ccncc1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000249251530 396004812 /nfs/dbraw/zinc/00/48/12/396004812.db2.gz XYIGEVSGANRBDB-NEPJUHHUSA-N 0 3 318.377 0.724 10 0 DCAEHN O=C1CNC(=O)N1CCCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249600193 396010169 /nfs/dbraw/zinc/01/01/69/396010169.db2.gz XXZXVHNPANDYGR-STQMWFEESA-N 0 3 323.418 0.698 10 0 DCAEHN CNS(=O)(=O)CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000249943620 396013896 /nfs/dbraw/zinc/01/38/96/396013896.db2.gz UAHKHMFUZBDHTJ-UKRRQHHQSA-N 0 3 311.451 0.646 10 0 DCAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000251560604 396016372 /nfs/dbraw/zinc/01/63/72/396016372.db2.gz GNJLALPAJNRIKL-SMDDNHRTSA-N 0 3 308.426 0.635 10 0 DCAEHN N[C@@H](C(=O)NCCC(=O)N1CCCCCC1)C1CCOCC1 ZINC000261840214 396070863 /nfs/dbraw/zinc/07/08/63/396070863.db2.gz QPHFQPHJHKOFDJ-OAHLLOKOSA-N 0 3 311.426 0.649 10 0 DCAEHN CN(C)C[C@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCO1 ZINC000152979247 396018529 /nfs/dbraw/zinc/01/85/29/396018529.db2.gz DVGWZBOKXVKICA-AWEZNQCLSA-N 0 3 315.377 0.874 10 0 DCAEHN N[C@@H](CNS(=O)(=O)c1cnc2n1CCC2)c1ccccc1 ZINC000262012027 396090085 /nfs/dbraw/zinc/09/00/85/396090085.db2.gz HQEJOYPXEZXUCV-LBPRGKRZSA-N 0 3 306.391 0.808 10 0 DCAEHN Cc1cccc(NC[C@@H]2CCN(CCCS(N)(=O)=O)C2)n1 ZINC000170914542 396101673 /nfs/dbraw/zinc/10/16/73/396101673.db2.gz ZHMNOKKUGBUVBT-ZDUSSCGKSA-N 0 3 312.439 0.802 10 0 DCAEHN N[C@H](C(=O)N1CCCN(c2nccs2)CC1)C1CCOCC1 ZINC000262152509 396104981 /nfs/dbraw/zinc/10/49/81/396104981.db2.gz XMBORHZEZXAISY-ZDUSSCGKSA-N 0 3 324.450 0.936 10 0 DCAEHN Cc1cc(NC(=O)CN2CCNC[C@H]2c2cccnc2)n(C)n1 ZINC000262173391 396107115 /nfs/dbraw/zinc/10/71/15/396107115.db2.gz HYFCYSNLDNMJQQ-AWEZNQCLSA-N 0 3 314.393 0.709 10 0 DCAEHN Cn1cc(CCCNC(=O)NC[C@H](O)CN2CCCCC2)cn1 ZINC000171341641 396114623 /nfs/dbraw/zinc/11/46/23/396114623.db2.gz VNCZGIUCKHDSTL-HNNXBMFYSA-N 0 3 323.441 0.499 10 0 DCAEHN CCC[C@@](C)(N)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000262292452 396118753 /nfs/dbraw/zinc/11/87/53/396118753.db2.gz HSAPDBRDPYZEMN-XJKSGUPXSA-N 0 3 310.442 0.269 10 0 DCAEHN CNC(=O)NC(=O)CCN1CCC(Nc2cccnn2)CC1 ZINC000171623601 396120488 /nfs/dbraw/zinc/12/04/88/396120488.db2.gz XCXLEEMWNCZISO-UHFFFAOYSA-N 0 3 306.370 0.199 10 0 DCAEHN O[C@H](Cn1cccn1)CN1CCC(Nc2cccnn2)CC1 ZINC000171628735 396120662 /nfs/dbraw/zinc/12/06/62/396120662.db2.gz TWMMIICTINYZKI-AWEZNQCLSA-N 0 3 302.382 0.611 10 0 DCAEHN C[C@@H]1C[C@@H](NC(=O)C2(N)CCOCC2)C(=O)N1c1ccccc1 ZINC000261936227 396080898 /nfs/dbraw/zinc/08/08/98/396080898.db2.gz WUEREMKEYRGYCH-TZMCWYRMSA-N 0 3 317.389 0.805 10 0 DCAEHN Cc1cncc(NC(=O)C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000177204210 396168840 /nfs/dbraw/zinc/16/88/40/396168840.db2.gz UPJPFIJKYLUXBK-CQSZACIVSA-N 0 3 320.393 0.292 10 0 DCAEHN COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C[C@@H]1C ZINC000262772580 396180701 /nfs/dbraw/zinc/18/07/01/396180701.db2.gz MQCFJPZTIMETKD-IUCAKERBSA-N 0 3 318.420 0.811 10 0 DCAEHN Cc1ccc(F)c(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000177676562 396181414 /nfs/dbraw/zinc/18/14/14/396181414.db2.gz CKXLVAORJWFEIR-LBPRGKRZSA-N 0 3 323.368 0.862 10 0 DCAEHN COc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177697123 396181954 /nfs/dbraw/zinc/18/19/54/396181954.db2.gz VSISVBNVVIDSIW-GFCCVEGCSA-N 0 3 303.362 0.940 10 0 DCAEHN C[C@H]1NCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@H]1C ZINC000262789392 396182414 /nfs/dbraw/zinc/18/24/14/396182414.db2.gz MTLKMNGSPXTBIA-MNOVXSKESA-N 0 3 316.361 0.311 10 0 DCAEHN CN1CCNC[C@@H]1c1noc(Cc2cn3ccsc3n2)n1 ZINC000263297378 396211742 /nfs/dbraw/zinc/21/17/42/396211742.db2.gz WNLNOXRDDWTNKJ-SNVBAGLBSA-N 0 3 304.379 0.946 10 0 DCAEHN CCC[C@H](C(=O)N1CCCN(S(C)(=O)=O)CC1)N(C)C ZINC000178644946 396203204 /nfs/dbraw/zinc/20/32/04/396203204.db2.gz RILRTUNXAUSCGX-GFCCVEGCSA-N 0 3 305.444 0.211 10 0 DCAEHN CCN1CCC[C@H]1CN(C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181940994 396243716 /nfs/dbraw/zinc/24/37/16/396243716.db2.gz PLHFCMMMDHATTM-ZDUSSCGKSA-N 0 3 313.442 0.860 10 0 DCAEHN COC[C@@](C)(CCO)NCC(=O)NCc1ccc(OC)cc1 ZINC000079920580 396272620 /nfs/dbraw/zinc/27/26/20/396272620.db2.gz IFIRSWIGNZQSBE-MRXNPFEDSA-N 0 3 310.394 0.689 10 0 DCAEHN CNC(=O)NC(=O)CCN1CCCN(c2ccccn2)CC1 ZINC000183787522 396275369 /nfs/dbraw/zinc/27/53/69/396275369.db2.gz RAAOGRFJXFZIFI-UHFFFAOYSA-N 0 3 305.382 0.439 10 0 DCAEHN CCN1CCC[C@@H](NC(=O)NCCCCCS(C)(=O)=O)C1 ZINC000184680029 396301440 /nfs/dbraw/zinc/30/14/40/396301440.db2.gz AHLMVSREQQVHIL-CYBMUJFWSA-N 0 3 319.471 0.985 10 0 DCAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185635883 396331731 /nfs/dbraw/zinc/33/17/31/396331731.db2.gz WFEVZPJQKFYMPG-LLVKDONJSA-N 0 3 305.353 0.877 10 0 DCAEHN CN(C)CCn1ccc(NC(=O)Nc2cnc(N(C)C)nc2)n1 ZINC000186628601 396353919 /nfs/dbraw/zinc/35/39/19/396353919.db2.gz IPBQUARMXMZLLB-UHFFFAOYSA-N 0 3 318.385 0.945 10 0 DCAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187529934 396370425 /nfs/dbraw/zinc/37/04/25/396370425.db2.gz GNJLALPAJNRIKL-RISCZKNCSA-N 0 3 308.426 0.635 10 0 DCAEHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N(C)CC1CC(O)C1 ZINC000190227525 396403764 /nfs/dbraw/zinc/40/37/64/396403764.db2.gz LPVIUQUUGZTHSS-AFPNSQJFSA-N 0 3 311.304 0.466 10 0 DCAEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)N(C)C)C1 ZINC000192937486 396440710 /nfs/dbraw/zinc/44/07/10/396440710.db2.gz HEKKYTCWKUGVAF-AWEZNQCLSA-N 0 3 312.439 0.642 10 0 DCAEHN CN(C)CCn1ccc(NC(=O)N2CCCN(C)C(=O)C2)n1 ZINC000187919480 396376373 /nfs/dbraw/zinc/37/63/73/396376373.db2.gz ZBCPDWKMQGNMPE-UHFFFAOYSA-N 0 3 308.386 0.141 10 0 DCAEHN CCn1ncnc1CN1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000193438776 396451523 /nfs/dbraw/zinc/45/15/23/396451523.db2.gz KHSBEEJGRGHKEG-OAHLLOKOSA-N 0 3 306.458 0.900 10 0 DCAEHN Cn1nnc(CNC(=O)c2cccc(CN3CCCC3)c2)n1 ZINC000584875637 396631331 /nfs/dbraw/zinc/63/13/31/396631331.db2.gz KVJKKJSKGFXJBX-UHFFFAOYSA-N 0 3 300.366 0.736 10 0 DCAEHN CC(=O)c1cccc(OC[C@H](O)CNC[C@@H](O)[C@@H]2CCCO2)c1 ZINC000629590320 396800791 /nfs/dbraw/zinc/80/07/91/396800791.db2.gz UIQGLSADOMXQPV-OIISXLGYSA-N 0 3 323.389 0.758 10 0 DCAEHN O=C([C@@H]1CCCN1C1CCOCC1)N1CCC[C@@](F)(CO)C1 ZINC000376412860 396924388 /nfs/dbraw/zinc/92/43/88/396924388.db2.gz INCYXENHNURABZ-HOCLYGCPSA-N 0 3 314.401 0.953 10 0 DCAEHN 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0.484 10 0 DCAEHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[C@H](N(C)C)C1 ZINC000170859533 534706810 /nfs/dbraw/zinc/70/68/10/534706810.db2.gz YZONJEILDYIEGG-NSHDSACASA-N 0 3 317.397 0.028 10 0 DCAEHN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)N(C)Cc1ccccc1 ZINC000105933293 525486583 /nfs/dbraw/zinc/48/65/83/525486583.db2.gz KWENSGNUNWYYLZ-GDBMZVCRSA-N 0 3 305.422 0.954 10 0 DCAEHN CCOC[C@H](O)CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180130943 529009855 /nfs/dbraw/zinc/00/98/55/529009855.db2.gz APIMIHVTEHCQMC-ZYHUDNBSSA-N 0 3 302.396 0.382 10 0 DCAEHN CCCc1cc(N2CCO[C@H]3CCN(C)C[C@@H]32)n2ncnc2n1 ZINC000284481830 535398843 /nfs/dbraw/zinc/39/88/43/535398843.db2.gz GPONVVZWLXSWIA-KBPBESRZSA-N 0 3 316.409 0.986 10 0 DCAEHN COCC(=O)Nc1ccc2c(c1)O[C@@H](C)C(=O)N2CCN(C)C ZINC000016676853 536772932 /nfs/dbraw/zinc/77/29/32/536772932.db2.gz MKWWVYSSVSHRAW-NSHDSACASA-N 0 3 321.377 0.947 10 0 DCAEHN C[C@@H]1CN(S(=O)(=O)N(C)CC2CCN(C)CC2)C[C@@H](C)O1 ZINC000078643767 545682066 /nfs/dbraw/zinc/68/20/66/545682066.db2.gz 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10 0 DCAEHN Nc1c(NC[C@H](O)CN2CCCCC2)ncnc1-n1cccn1 ZINC000162418809 396081374 /nfs/dbraw/zinc/08/13/74/396081374.db2.gz PAMUWWJZCGALFO-LBPRGKRZSA-N 0 3 317.397 0.503 10 0 DCAEHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2cccnn2)CC1 ZINC000175363510 396140689 /nfs/dbraw/zinc/14/06/89/396140689.db2.gz XDTKCIVBQLWURK-AWEZNQCLSA-N 0 3 318.425 0.793 10 0 DCAEHN CC(=O)NC1(c2nc([C@H]3CNCCN3C)no2)CCCCC1 ZINC000263256250 396209294 /nfs/dbraw/zinc/20/92/94/396209294.db2.gz QMNPDNIEMVQMBA-GFCCVEGCSA-N 0 3 307.398 0.941 10 0 DCAEHN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000176147933 396150744 /nfs/dbraw/zinc/15/07/44/396150744.db2.gz HLOYELASIJRHIK-QWHCGFSZSA-N 0 3 319.471 0.505 10 0 DCAEHN NC(=O)c1ccc(OCCC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000176320230 396153716 /nfs/dbraw/zinc/15/37/16/396153716.db2.gz CNFHZENAZKZOTE-CQSZACIVSA-N 0 3 317.389 0.861 10 0 DCAEHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000263261665 396210484 /nfs/dbraw/zinc/21/04/84/396210484.db2.gz STYNJDXKQZFKFO-AAEUAGOBSA-N 0 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158215276 /nfs/dbraw/zinc/21/52/76/158215276.db2.gz NIXYCMBPSQPYCG-CQSZACIVSA-N 0 3 308.426 0.804 10 0 DCAEHN O=C(NC[C@@H](O)CN1CCCCC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000122024657 158217753 /nfs/dbraw/zinc/21/77/53/158217753.db2.gz LYEBUSUYRDKEPM-ZIAGYGMSSA-N 0 3 321.425 0.413 10 0 DCAEHN O=C(NCCCO[C@H]1CCOC1)N1CC[C@H](N2CC=CC2)C1 ZINC000127914494 158277066 /nfs/dbraw/zinc/27/70/66/158277066.db2.gz FHXZFLIRACVZCV-GJZGRUSLSA-N 0 3 309.410 0.838 10 0 DCAEHN O=C(NCCCO[C@@H]1CCOC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000127913845 158277494 /nfs/dbraw/zinc/27/74/94/158277494.db2.gz FHXZFLIRACVZCV-HUUCEWRRSA-N 0 3 309.410 0.838 10 0 DCAEHN CC1(C)NC(=O)N(CCN2CC[C@]3(O)CCCC[C@@H]3C2)C1=O ZINC000128378755 158280066 /nfs/dbraw/zinc/28/00/66/158280066.db2.gz WYDWONZMMLCATC-MLGOLLRUSA-N 0 3 309.410 0.944 10 0 DCAEHN C[C@H](CN1CCCCC1)NC(=O)NC[C@]1(CCO)CCOC1 ZINC000128255780 158280321 /nfs/dbraw/zinc/28/03/21/158280321.db2.gz MLZSKXHWSKPRRH-ZBFHGGJFSA-N 0 3 313.442 0.949 10 0 DCAEHN 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/nfs/dbraw/zinc/52/72/86/396527286.db2.gz KFYWWGKDMFTDMM-ZIAGYGMSSA-N 0 3 320.455 0.274 10 0 DCAEHN Cc1nn(C)c(C)c1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000533614401 396609117 /nfs/dbraw/zinc/60/91/17/396609117.db2.gz LZUCLLATNQDOQY-SNVBAGLBSA-N 0 3 307.398 0.433 10 0 DCAEHN COC(=O)c1cnc(N2C[C@@H](OC)C[C@H]2CN2CCCC2)nc1 ZINC000585814895 396660905 /nfs/dbraw/zinc/66/09/05/396660905.db2.gz IMQCDXFGUMXENM-KBPBESRZSA-N 0 3 320.393 0.953 10 0 DCAEHN Cn1cccc1CNC1CCN(c2nccn(C)c2=O)CC1 ZINC000328621765 396824489 /nfs/dbraw/zinc/82/44/89/396824489.db2.gz ATSRDZVRMOMXQC-UHFFFAOYSA-N 0 3 301.394 0.877 10 0 DCAEHN C[C@@H](CO)N1CCCN(C(=O)c2ccnc3c2ncn3C)CC1 ZINC000377327981 397067366 /nfs/dbraw/zinc/06/73/66/397067366.db2.gz VJYYIRXRFDSHBS-LBPRGKRZSA-N 0 3 317.393 0.497 10 0 DCAEHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(C)S(C)(=O)=O ZINC000364455367 397206067 /nfs/dbraw/zinc/20/60/67/397206067.db2.gz OIRAXJYTQWFIIQ-DBIOUOCHSA-N 0 3 303.380 0.220 10 0 DCAEHN Cn1ncnc1CNCC1(O)CCN(Cc2ccccc2)CC1 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/nfs/dbraw/zinc/38/65/89/158386589.db2.gz PAZQHNGOJJQIPG-GJZGRUSLSA-N 0 3 307.394 0.522 10 0 DCAEHN CNC(=O)c1cncc(/C=C/C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000171810696 158387804 /nfs/dbraw/zinc/38/78/04/158387804.db2.gz JDJRAGDVPTTXIE-RGDDUWESSA-N 0 3 314.389 0.761 10 0 DCAEHN C[C@H](Cn1cccn1)NC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000262448290 158814826 /nfs/dbraw/zinc/81/48/26/158814826.db2.gz HMDWRHLYWRLSOQ-BRXULGCHSA-N 0 3 306.410 0.920 10 0 DCAEHN CO[C@@H]1C[C@H](CO)N(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000323772123 159013464 /nfs/dbraw/zinc/01/34/64/159013464.db2.gz XZSHABNCCPPGTD-CHWSQXEVSA-N 0 3 318.373 0.754 10 0 DCAEHN C[C@H]1CN(C2CCN(C[C@H](O)Cn3cccn3)CC2)CCO1 ZINC000328680451 159020581 /nfs/dbraw/zinc/02/05/81/159020581.db2.gz UOYFLBJWNWLAJF-HOCLYGCPSA-N 0 3 308.426 0.429 10 0 DCAEHN CN(C(=O)Cn1nc2ccccn2c1=O)[C@@H]1CN2CCC1CC2 ZINC000329516132 159099078 /nfs/dbraw/zinc/09/90/78/159099078.db2.gz YSAXUIKTOKRMHE-CYBMUJFWSA-N 0 3 315.377 0.049 10 0 DCAEHN 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BONSCPKJGUCVJO-MCIONIFRSA-N 0 3 321.421 0.714 10 0 DCAEHN CC(=O)N1CCC[C@](O)(C(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000408048624 160022940 /nfs/dbraw/zinc/02/29/40/160022940.db2.gz YVTGKRWGGTXJLD-XJKSGUPXSA-N 0 3 311.426 0.350 10 0 DCAEHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCCC1 ZINC000408070222 160028042 /nfs/dbraw/zinc/02/80/42/160028042.db2.gz HWIFXCPVRXEQNN-VXGBXAGGSA-N 0 3 303.428 0.059 10 0 DCAEHN Cn1nc2c(c1CNC(=O)[C@H]1CN3CCN1CCC3)CCCC2 ZINC000408236622 160065976 /nfs/dbraw/zinc/06/59/76/160065976.db2.gz JQDPVUYUWSGCKQ-MRXNPFEDSA-N 0 3 317.437 0.305 10 0 DCAEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC[N@@H+]1C ZINC000408242762 160067842 /nfs/dbraw/zinc/06/78/42/160067842.db2.gz XWOYZVUUZYVGLF-MNOVXSKESA-N 0 3 307.398 0.803 10 0 DCAEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC[N@H+]1C ZINC000408242762 160067844 /nfs/dbraw/zinc/06/78/44/160067844.db2.gz XWOYZVUUZYVGLF-MNOVXSKESA-N 0 3 307.398 0.803 10 0 DCAEHN C[C@H]1CC(C)(C)C[C@@](CO)(NCC(=O)N2CCNC(=O)C2)C1 ZINC000408280224 160075203 /nfs/dbraw/zinc/07/52/03/160075203.db2.gz GHPPXENTZFKUGU-LRDDRELGSA-N 0 3 311.426 0.112 10 0 DCAEHN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000408339450 160088132 /nfs/dbraw/zinc/08/81/32/160088132.db2.gz BZPVKIWAXAQJMI-UMVBOHGHSA-N 0 3 304.394 0.804 10 0 DCAEHN CCN(CC)C[C@H](C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408421339 160104254 /nfs/dbraw/zinc/10/42/54/160104254.db2.gz IOWWKVQAECSZOM-AVGNSLFASA-N 0 3 307.460 0.660 10 0 DCAEHN CC(C)(CO)CCCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000122673907 286958518 /nfs/dbraw/zinc/95/85/18/286958518.db2.gz YUTXCLSKQNXDLW-CQSZACIVSA-N 0 3 315.458 0.931 10 0 DCAEHN C[N@H+](CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCCCC1 ZINC000134961310 287019542 /nfs/dbraw/zinc/01/95/42/287019542.db2.gz DLZUBMLAHIQKHE-LBPRGKRZSA-N 0 3 310.398 0.355 10 0 DCAEHN C[N@@H+](CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCCCC1 ZINC000134961310 287019544 /nfs/dbraw/zinc/01/95/44/287019544.db2.gz DLZUBMLAHIQKHE-LBPRGKRZSA-N 0 3 310.398 0.355 10 0 DCAEHN 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/nfs/dbraw/zinc/17/99/06/276179906.db2.gz LXVVVXJSKUPATP-LBPRGKRZSA-N 0 3 320.393 0.971 10 0 DCAEHN CCN1CCCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CC1=O ZINC000189906161 276366620 /nfs/dbraw/zinc/36/66/20/276366620.db2.gz USPHFJGFMDCKBM-UONOGXRCSA-N 0 3 310.442 0.979 10 0 DCAEHN CN1CCN(C(=O)CN[C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000127866286 276918066 /nfs/dbraw/zinc/91/80/66/276918066.db2.gz CZYISAQAWVFGGV-HUUCEWRRSA-N 0 3 305.426 0.730 10 0 DCAEHN CS(=O)(=O)[C@H]1CCC[C@@H](N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000408075842 278117661 /nfs/dbraw/zinc/11/76/61/278117661.db2.gz ZYHVSMNXRCEAMF-MROQNXINSA-N 0 3 314.411 0.163 10 0 DCAEHN C[C@@H](CCO)N(Cc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000093310991 278234535 /nfs/dbraw/zinc/23/45/35/278234535.db2.gz IDBLGCGWQCZCFU-FUHWJXTLSA-N 0 3 322.449 0.953 10 0 DCAEHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc2ncnn21 ZINC000547436533 288045780 /nfs/dbraw/zinc/04/57/80/288045780.db2.gz FHDHQUJDWXSXLV-ZDUSSCGKSA-N 0 3 316.409 0.485 10 0 DCAEHN 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/nfs/dbraw/zinc/52/55/87/522525587.db2.gz NRIZZQJGFJZYRP-DZGCQCFKSA-N 0 3 301.358 0.943 10 0 DCAEHN CCn1cc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cn1 ZINC000128655019 523407322 /nfs/dbraw/zinc/40/73/22/523407322.db2.gz HOSBWAXRPMHYGX-LBPRGKRZSA-N 0 3 309.414 0.934 10 0 DCAEHN COC(=O)Cn1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000124284263 523409367 /nfs/dbraw/zinc/40/93/67/523409367.db2.gz IYKRHYZDOOONQK-NEPJUHHUSA-N 0 3 323.397 0.906 10 0 DCAEHN COCCN(C)c1ccc(CN[C@H]2CCC(=O)N(C)C2)cn1 ZINC000191146470 523636017 /nfs/dbraw/zinc/63/60/17/523636017.db2.gz SUCDXQOSRJHRQH-AWEZNQCLSA-N 0 3 306.410 0.875 10 0 DCAEHN CO[C@@H]1CC[C@@H](NC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000365090427 523698477 /nfs/dbraw/zinc/69/84/77/523698477.db2.gz RADPFIWAZDDWED-BZUAXINKSA-N 0 3 324.469 0.975 10 0 DCAEHN CN1CCN(CCCNC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000131869249 523897468 /nfs/dbraw/zinc/89/74/68/523897468.db2.gz HPWUKUKBEUAERT-CYBMUJFWSA-N 0 3 305.426 0.583 10 0 DCAEHN COc1ccc(CNC(=O)CN(C)C2(CO)CCOCC2)cc1 ZINC000191026147 524049574 /nfs/dbraw/zinc/04/95/74/524049574.db2.gz UPGGTORDSPKWSC-UHFFFAOYSA-N 0 3 322.405 0.785 10 0 DCAEHN C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)C[C@@H]1N(C)C ZINC000270969810 524751727 /nfs/dbraw/zinc/75/17/27/524751727.db2.gz ZXBYQUKNQWSEFN-MFKMUULPSA-N 0 3 319.409 0.256 10 0 DCAEHN Cc1c(C(=O)N2CCNC(C)(C)C2)cccc1S(N)(=O)=O ZINC000157394508 525585449 /nfs/dbraw/zinc/58/54/49/525585449.db2.gz NOZYSOWEQQAKGL-UHFFFAOYSA-N 0 3 311.407 0.466 10 0 DCAEHN C[C@H](Sc1nncn1C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247174140 526015982 /nfs/dbraw/zinc/01/59/82/526015982.db2.gz KVBBIHCUBBYSDK-WOPDTQHZSA-N 0 3 309.439 0.991 10 0 DCAEHN CC1(OCC(=O)Nc2ccccc2SCC(N)=O)CNC1 ZINC000098060566 545729583 /nfs/dbraw/zinc/72/95/83/545729583.db2.gz LHGZLKNXTXAEMT-UHFFFAOYSA-N 0 3 309.391 0.581 10 0 DCAEHN O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177697742 545891692 /nfs/dbraw/zinc/89/16/92/545891692.db2.gz GKVVNJJNMYBGIH-ZDUSSCGKSA-N 0 3 315.377 0.599 10 0 DCAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C1 ZINC000177922429 545892602 /nfs/dbraw/zinc/89/26/02/545892602.db2.gz WHBOKEPHXXBYDV-ZDUSSCGKSA-N 0 3 305.382 0.394 10 0 DCAEHN CN1CCN(CCCNC(=O)c2cn3ccnc3s2)CC1 ZINC000188228600 545916783 /nfs/dbraw/zinc/91/67/83/545916783.db2.gz KIYCGRVUOXLAMM-UHFFFAOYSA-N 0 3 307.423 0.763 10 0 DCAEHN CS(=O)(=O)N[C@H]1CCCN(C[C@@H](O)C2CCCCC2)C1 ZINC000249156040 545970971 /nfs/dbraw/zinc/97/09/71/545970971.db2.gz YRRLMPHEYSPDNE-UONOGXRCSA-N 0 3 304.456 0.941 10 0 DCAEHN COC(=O)C[C@@H](NS(=O)(=O)C1CNC1)c1cccs1 ZINC000722294232 660687767 /nfs/dbraw/zinc/68/77/67/660687767.db2.gz DFAAKHAKMVHJMR-SECBINFHSA-N 0 3 304.393 0.244 10 0 DCAEHN Cc1nc(C[C@H]2CCCN(C(=O)[C@H](N)C3CCOCC3)C2)no1 ZINC000261815891 661721962 /nfs/dbraw/zinc/72/19/62/661721962.db2.gz PCVXOFPQBOOYGH-IUODEOHRSA-N 0 3 322.409 0.913 10 0 DCAEHN O=C(NC[C@@H]1CCc2nccn2C1)C1CN([C@H]2CCOC2)C1 ZINC000897466861 662763219 /nfs/dbraw/zinc/76/32/19/662763219.db2.gz DFWXQLAWGLSRTQ-JSGCOSHPSA-N 0 3 304.394 0.282 10 0 DCAEHN CN(C)c1ncc(CN2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)n1C ZINC000862498101 667046679 /nfs/dbraw/zinc/04/66/79/667046679.db2.gz VWQCUWCSAULMNO-KGLIPLIRSA-N 0 3 318.429 0.065 10 0 DCAEHN CCN(CC(=O)OC)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000707264214 667437241 /nfs/dbraw/zinc/43/72/41/667437241.db2.gz CPONGPRKUDUPMI-CQSZACIVSA-N 0 3 307.394 0.467 10 0 DCAEHN C[C@@]1(C(F)(F)F)CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000709606109 667445442 /nfs/dbraw/zinc/44/54/42/667445442.db2.gz LOKVBHSLKCHGHY-SECBINFHSA-N 0 3 301.334 0.411 10 0 DCAEHN Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1[NH3+] ZINC000123291295 667754890 /nfs/dbraw/zinc/75/48/90/667754890.db2.gz IMPCFGICWQJLFF-RKDXNWHRSA-N 0 3 306.819 0.930 10 0 DCAEHN COCC[C@@H](N)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000381962715 685239570 /nfs/dbraw/zinc/23/95/70/685239570.db2.gz HOWOOBDEWUBSFG-HZPDHXFCSA-N 0 3 321.421 0.367 10 0 DCAEHN COCC(COC)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000388393959 685254833 /nfs/dbraw/zinc/25/48/33/685254833.db2.gz FQWWZNSGQCQZHD-JTQLQIEISA-N 0 3 302.396 0.646 10 0 DCAEHN CC(=O)N1CCN(C(=O)CCNCc2cccc(O)c2)CC1 ZINC000236575980 1180649083 /nfs/dbraw/zinc/64/90/83/1180649083.db2.gz VTAWTMPSEYVGQK-UHFFFAOYSA-N 0 3 305.378 0.563 10 0 DCAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181423324 199294470 /nfs/dbraw/zinc/29/44/70/199294470.db2.gz DETLBFMBHSETQG-GFCCVEGCSA-N 0 3 324.429 0.415 10 0 DCAEHN O=C(NCCNC(=O)N1CCN2CCC[C@H]2C1)c1cccnc1 ZINC000171900875 198004092 /nfs/dbraw/zinc/00/40/92/198004092.db2.gz UJSOTIANZQXVMC-AWEZNQCLSA-N 0 3 317.393 0.301 10 0 DCAEHN OC[C@H]1CCCN1c1cc(N2CCN3CCC[C@@H]3C2)ncn1 ZINC000171939306 198011796 /nfs/dbraw/zinc/01/17/96/198011796.db2.gz NFAYIHXTBPBEGG-ZIAGYGMSSA-N 0 3 303.410 0.722 10 0 DCAEHN Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000172598130 198120942 /nfs/dbraw/zinc/12/09/42/198120942.db2.gz OTDXKSHGFHZTCW-JSGCOSHPSA-N 0 3 323.441 0.936 10 0 DCAEHN CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)CC1(N(C)C)CCC1 ZINC000186975301 200041725 /nfs/dbraw/zinc/04/17/25/200041725.db2.gz LYTFZILWIQSKBX-CYBMUJFWSA-N 0 3 310.442 0.126 10 0 DCAEHN CC(C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1)S(C)(=O)=O ZINC000153984174 291209935 /nfs/dbraw/zinc/20/99/35/291209935.db2.gz KKRUJPNVBLPXJG-GHMZBOCLSA-N 0 3 322.390 0.878 10 0 DCAEHN CC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)Cn2cncn2)cc1 ZINC000567680873 291369202 /nfs/dbraw/zinc/36/92/02/291369202.db2.gz GYPCCCSKQGGROW-DOMZBBRYSA-N 0 3 318.377 0.899 10 0 DCAEHN O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1CNC(=O)C1 ZINC000093064017 193199865 /nfs/dbraw/zinc/19/98/65/193199865.db2.gz SAPJPHRFFQUMDX-CYBMUJFWSA-N 0 3 302.378 0.550 10 0 DCAEHN O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000094573658 193381923 /nfs/dbraw/zinc/38/19/23/193381923.db2.gz YFIZCVITEFIAEV-APPZFPTMSA-N 0 3 301.140 0.816 10 0 DCAEHN CCN1CN(C(=O)NCCN(C)Cc2ccccc2)CC1=O ZINC000189775285 335034707 /nfs/dbraw/zinc/03/47/07/335034707.db2.gz VWSGGCOESXIKLW-UHFFFAOYSA-N 0 3 304.394 0.950 10 0 DCAEHN CCN(CCCN[C@H](C)C(=O)NC(C)(C)CC)S(C)(=O)=O ZINC000038035779 182975432 /nfs/dbraw/zinc/97/54/32/182975432.db2.gz ASBRZGSKIMXECT-GFCCVEGCSA-N 0 3 321.487 0.941 10 0 DCAEHN CN(C)[C@H]1CCCN(C(=O)NCCCCN2CCOCC2)C1 ZINC000105134302 194078539 /nfs/dbraw/zinc/07/85/39/194078539.db2.gz HEFWXYFIUMWORG-HNNXBMFYSA-N 0 3 312.458 0.834 10 0 DCAEHN CS(=O)(=O)N1CCN([C@@H](CN)c2ccc(Cl)s2)CC1 ZINC000062081681 184204857 /nfs/dbraw/zinc/20/48/57/184204857.db2.gz ZVWUXBLBZIICDA-VIFPVBQESA-N 0 3 323.871 0.979 10 0 DCAEHN CCN1CCC[C@H]1CN(C)CC(=O)NC(=O)N[C@@H](C)COC ZINC000175354280 285274198 /nfs/dbraw/zinc/27/41/98/285274198.db2.gz WIMZWHXCPVRXMM-STQMWFEESA-N 0 3 314.430 0.263 10 0 DCAEHN COCCN1CC[C@@H]2O[C@H](C(=O)N(C)Cc3ccccn3)C[C@@H]21 ZINC000096186588 257133400 /nfs/dbraw/zinc/13/34/00/257133400.db2.gz CSQMXBLKMCMFOJ-JYJNAYRXSA-N 0 3 319.405 0.918 10 0 DCAEHN CS(=O)(=O)NCC1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000556813769 288396283 /nfs/dbraw/zinc/39/62/83/288396283.db2.gz YSAJSCWIEYPTCV-CQSZACIVSA-N 0 3 320.455 0.443 10 0 DCAEHN COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC(C)C)CN(C)C ZINC000088768543 395707875 /nfs/dbraw/zinc/70/78/75/395707875.db2.gz AECWXGQPWVKPMZ-LBPRGKRZSA-N 0 3 323.459 0.292 10 0 DCAEHN NC(=O)[C@@H]1CCCN(C(=O)CN2CCN(C3CCCC3)CC2)C1 ZINC000028966922 395696809 /nfs/dbraw/zinc/69/68/09/395696809.db2.gz XGWZEPIHJAOHII-CQSZACIVSA-N 0 3 322.453 0.271 10 0 DCAEHN CCCNC(=O)CCNC(=O)NC[C@@H]1CCCN1CCOC ZINC000111836154 395814770 /nfs/dbraw/zinc/81/47/70/395814770.db2.gz RIELRBZAMKHRPH-ZDUSSCGKSA-N 0 3 314.430 0.313 10 0 DCAEHN O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCN2CCC[C@H]2C1 ZINC000195330332 395824825 /nfs/dbraw/zinc/82/48/25/395824825.db2.gz MIPMQDVSQLRMLD-MNOVXSKESA-N 0 3 319.327 0.704 10 0 DCAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)CCO1 ZINC000116793042 395846317 /nfs/dbraw/zinc/84/63/17/395846317.db2.gz PVVOCUXZKQIOSP-GFCCVEGCSA-N 0 3 303.366 0.371 10 0 DCAEHN Cc1ccc(-n2nnnc2N2CCO[C@H](CN(C)C)C2)cc1 ZINC000108951623 395795259 /nfs/dbraw/zinc/79/52/59/395795259.db2.gz YXYSTBOQCCTTOS-CQSZACIVSA-N 0 3 302.382 0.738 10 0 DCAEHN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C[C@@H]1CSCCN1 ZINC000236800411 395899199 /nfs/dbraw/zinc/89/91/99/395899199.db2.gz VMVAAGSWJDAQGZ-CHWSQXEVSA-N 0 3 313.467 0.941 10 0 DCAEHN CCN1CCC[C@@H](NC(=O)N[C@H]2CCc3nc(C)nn3C2)C1 ZINC000245394779 395927642 /nfs/dbraw/zinc/92/76/42/395927642.db2.gz GMINGVYCGNMMKN-OLZOCXBDSA-N 0 3 306.414 0.685 10 0 DCAEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N1CCOCC1 ZINC000245889631 395937722 /nfs/dbraw/zinc/93/77/22/395937722.db2.gz NPZXNVIKAPZZDX-XHSDSOJGSA-N 0 3 324.469 0.975 10 0 DCAEHN Cn1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CCCN3C)C2)cn1 ZINC000246198547 395943974 /nfs/dbraw/zinc/94/39/74/395943974.db2.gz MUURGBOVBJAFKJ-ZIAGYGMSSA-N 0 3 320.441 0.782 10 0 DCAEHN NC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC000246941237 395961766 /nfs/dbraw/zinc/96/17/66/395961766.db2.gz WVBUTTAIEOPBRV-MJBXVCDLSA-N 0 3 309.410 0.211 10 0 DCAEHN Cn1cc(CN2CCCN(C[C@@H](O)Cn3cccn3)CC2)cn1 ZINC000247064609 395965237 /nfs/dbraw/zinc/96/52/37/395965237.db2.gz GCOMOEKTBRILMA-MRXNPFEDSA-N 0 3 318.425 0.185 10 0 DCAEHN N[C@@H](C(=O)N1CCC(Cn2cccn2)CC1)C1CCOCC1 ZINC000261791849 396066623 /nfs/dbraw/zinc/06/66/23/396066623.db2.gz GPLMNJDHIIJLGR-OAHLLOKOSA-N 0 3 306.410 0.876 10 0 DCAEHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCN1CCCC1 ZINC000249188287 396004101 /nfs/dbraw/zinc/00/41/01/396004101.db2.gz OPUYDQZCKOKNHS-KBPBESRZSA-N 0 3 301.456 0.581 10 0 DCAEHN O=C1CCCN1C[C@@H](O)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152412065 396009175 /nfs/dbraw/zinc/00/91/75/396009175.db2.gz NOMDOSDJJXUPHJ-ZFWWWQNUSA-N 0 3 305.378 0.518 10 0 DCAEHN CC(=O)Nc1ccc(CCNC(=O)C2(N)CCOCC2)cc1 ZINC000261838332 396070808 /nfs/dbraw/zinc/07/08/08/396070808.db2.gz LNEIIZAAJDDKJK-UHFFFAOYSA-N 0 3 305.378 0.812 10 0 DCAEHN C[C@@H]1CCN[C@@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000262444858 396140962 /nfs/dbraw/zinc/14/09/62/396140962.db2.gz HFXQXIKQNIZTIX-HZSPNIEDSA-N 0 3 303.410 0.950 10 0 DCAEHN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](N)C3CCOCC3)CCO2)c1 ZINC000262161748 396105846 /nfs/dbraw/zinc/10/58/46/396105846.db2.gz XYHOJWFWBQHYPM-LSDHHAIUSA-N 0 3 322.409 0.173 10 0 DCAEHN O=C(NCC(=O)N1CCN2CCC[C@@H]2C1)NCc1ccco1 ZINC000171586747 396119722 /nfs/dbraw/zinc/11/97/22/396119722.db2.gz SURMYXWEWWWQCY-GFCCVEGCSA-N 0 3 306.366 0.385 10 0 DCAEHN N[C@H](C(=O)NCc1ccc(-n2cncn2)cc1)C1CCOCC1 ZINC000261906758 396078229 /nfs/dbraw/zinc/07/82/29/396078229.db2.gz XBNMOFGVEMTLNW-HNNXBMFYSA-N 0 3 315.377 0.637 10 0 DCAEHN N[C@@H](C(=O)NCC(=O)Nc1cccc(F)c1)C1CCOCC1 ZINC000261926097 396080533 /nfs/dbraw/zinc/08/05/33/396080533.db2.gz ZEBBKUQEXZZFAF-CQSZACIVSA-N 0 3 309.341 0.634 10 0 DCAEHN CCNC(=O)c1cccc(CNC(=O)C2(N)CCOCC2)c1 ZINC000261936262 396080958 /nfs/dbraw/zinc/08/09/58/396080958.db2.gz WWLDJIBOOULOGH-UHFFFAOYSA-N 0 3 305.378 0.560 10 0 DCAEHN COc1cccc(N2CC[C@@H](NC(=O)C3(N)CCOCC3)C2)c1 ZINC000261940838 396081786 /nfs/dbraw/zinc/08/17/86/396081786.db2.gz XIDPSNDASBQFIL-CYBMUJFWSA-N 0 3 319.405 0.898 10 0 DCAEHN 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315.410 0.961 10 0 DCAEHN COCCC(=O)N1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000330244792 292272024 /nfs/dbraw/zinc/27/20/24/292272024.db2.gz XIMCPLUMOCPTCO-CQSZACIVSA-N 0 3 309.410 0.321 10 0 DCAEHN CC(C)OC(=O)CCN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000075613656 158061856 /nfs/dbraw/zinc/06/18/56/158061856.db2.gz YBYUKVGDTCMWFD-AWEZNQCLSA-N 0 3 312.410 0.899 10 0 DCAEHN COCC(C)(C)NCC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000076496264 158065539 /nfs/dbraw/zinc/06/55/39/158065539.db2.gz DVWQDFIXSJITFU-AWEZNQCLSA-N 0 3 315.458 0.474 10 0 DCAEHN C[C@H](O)C1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085796257 158090437 /nfs/dbraw/zinc/09/04/37/158090437.db2.gz KASNPVDPUKWUOQ-QWHCGFSZSA-N 0 3 304.456 0.751 10 0 DCAEHN Cc1cccn2c(=O)c(C(=O)NC[C@@](C)(O)CN(C)C)cnc12 ZINC000091077228 158107046 /nfs/dbraw/zinc/10/70/46/158107046.db2.gz ZEKAFRLIRVIWCX-MRXNPFEDSA-N 0 3 318.377 0.045 10 0 DCAEHN Cn1cc(CN2CCC[C@H](c3nccs3)C2)c(=O)n(C)c1=O ZINC000092788887 158116530 /nfs/dbraw/zinc/11/65/30/158116530.db2.gz 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/nfs/dbraw/zinc/99/00/33/415990033.db2.gz BEODJYFEBPZRAH-OAHLLOKOSA-N 0 3 318.421 0.643 10 0 DCAEHN CN(C)CCN1CCC(NC(=O)[C@@H]2CCCn3ccnc32)CC1 ZINC000132402147 415933671 /nfs/dbraw/zinc/93/36/71/415933671.db2.gz NTESFCYRCMGABM-OAHLLOKOSA-N 0 3 319.453 0.903 10 0 DCAEHN CN(C)C[C@@H]1CN(C(=O)CCCCN2CCOCC2)CCO1 ZINC000172308083 416045702 /nfs/dbraw/zinc/04/57/02/416045702.db2.gz FOQGMXKCOQUDBP-OAHLLOKOSA-N 0 3 313.442 0.278 10 0 DCAEHN C[C@H]1C[C@@H](N(C)C(=O)NCCCN2CCOCC2)CCN1C ZINC000173274151 416055597 /nfs/dbraw/zinc/05/55/97/416055597.db2.gz OFFYFTQYDRVJQA-GJZGRUSLSA-N 0 3 312.458 0.833 10 0 DCAEHN NS(=O)(=O)c1cnc(NC[C@H](O)CN2CCCCC2)s1 ZINC000174684622 416083693 /nfs/dbraw/zinc/08/36/93/416083693.db2.gz BSIGAURFOPYGHQ-VIFPVBQESA-N 0 3 320.440 0.049 10 0 DCAEHN NC(=O)c1ccc(NCC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000174663238 416084749 /nfs/dbraw/zinc/08/47/49/416084749.db2.gz NNXXCPPKACVEQK-AWEZNQCLSA-N 0 3 302.378 0.504 10 0 DCAEHN CN(CCCN1CCN(C)CC1)C(=O)c1ncncc1Cl ZINC000175215125 416099367 /nfs/dbraw/zinc/09/93/67/416099367.db2.gz YOCSYYKDLXFXEE-UHFFFAOYSA-N 0 3 311.817 0.840 10 0 DCAEHN C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000357599749 416104137 /nfs/dbraw/zinc/10/41/37/416104137.db2.gz YZGSRQHFHYFKLV-GFCCVEGCSA-N 0 3 319.409 0.687 10 0 DCAEHN C[C@@H]1[C@H](NC[C@@H](O)COCc2ccco2)CCS1(=O)=O ZINC000313416326 416107191 /nfs/dbraw/zinc/10/71/91/416107191.db2.gz WIIIJUXLUSBTJS-NQBHXWOUSA-N 0 3 303.380 0.322 10 0 DCAEHN CN1CCN([C@@H]2CCCCN(C(=O)C3=COCCO3)C2)CC1 ZINC000175983132 416118260 /nfs/dbraw/zinc/11/82/60/416118260.db2.gz CIWGOALIWIXYQY-CQSZACIVSA-N 0 3 309.410 0.503 10 0 DCAEHN CC[C@H](O)CN1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000177511754 416145886 /nfs/dbraw/zinc/14/58/86/416145886.db2.gz YSOVYEYIFDVBMR-ZDUSSCGKSA-N 0 3 301.431 0.900 10 0 DCAEHN CCN1CC[C@H]2OCCN(C(=O)c3c(C)c(C)n[nH]c3=O)[C@H]2C1 ZINC000329534998 416174966 /nfs/dbraw/zinc/17/49/66/416174966.db2.gz LDCUNPJBAQEQKS-QWHCGFSZSA-N 0 3 320.393 0.734 10 0 DCAEHN Cn1cc([C@H]2CNCCN2C(=O)C[C@@H](N)c2ccccc2)cn1 ZINC000181400519 416206270 /nfs/dbraw/zinc/20/62/70/416206270.db2.gz IZIAFWILOLWVQL-HZPDHXFCSA-N 0 3 313.405 0.983 10 0 DCAEHN C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1CCN(C2CCOCC2)C1=O ZINC000358187576 416206918 /nfs/dbraw/zinc/20/69/18/416206918.db2.gz KDJXNQDBTRTMEG-UHOFOFEASA-N 0 3 307.438 0.839 10 0 DCAEHN Cn1ncc2c1ncc(C(=O)N1CC[N@@H+]3CCC[C@H]3C1)c2[O-] ZINC000181956273 416214219 /nfs/dbraw/zinc/21/42/19/416214219.db2.gz IIRVQGQUZMWNEW-JTQLQIEISA-N 0 3 301.350 0.594 10 0 DCAEHN Cn1ncc2c1ncc(C(=O)N1CC[N@H+]3CCC[C@H]3C1)c2[O-] ZINC000181956273 416214224 /nfs/dbraw/zinc/21/42/24/416214224.db2.gz IIRVQGQUZMWNEW-JTQLQIEISA-N 0 3 301.350 0.594 10 0 DCAEHN C[C@@H](NC(=O)N(C)CCCN1CCN(C)CC1)[C@H]1CCCO1 ZINC000182371500 416219294 /nfs/dbraw/zinc/21/92/94/416219294.db2.gz NXIPLNFQACTHMK-HUUCEWRRSA-N 0 3 312.458 0.833 10 0 DCAEHN CN1CCO[C@H](CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)C1 ZINC000182705213 416229284 /nfs/dbraw/zinc/22/92/84/416229284.db2.gz 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PHXWOWDUAFTXGO-AWEZNQCLSA-N 0 3 309.414 0.433 10 0 DCAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](NC(=O)COC)C(C)C ZINC000176983710 287053381 /nfs/dbraw/zinc/05/33/81/287053381.db2.gz GEWPBNIURTXLPK-ZFWWWQNUSA-N 0 3 313.442 0.716 10 0 DCAEHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CN1C1CC1 ZINC000246276207 287080403 /nfs/dbraw/zinc/08/04/03/287080403.db2.gz JNNOKPXDQNVASC-NDBYEHHHSA-N 0 3 308.426 0.955 10 0 DCAEHN CCN1CCC[C@H]1CN(C)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000246562052 287085527 /nfs/dbraw/zinc/08/55/27/287085527.db2.gz WUTDTMUYSVDZQZ-RYUDHWBXSA-N 0 3 306.428 0.541 10 0 DCAEHN CCN(CC)CCN(CCOC)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000248953352 287103957 /nfs/dbraw/zinc/10/39/57/287103957.db2.gz PXFCMIBKEAZXAL-KBPBESRZSA-N 0 3 322.471 0.784 10 0 DCAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000248689527 287100103 /nfs/dbraw/zinc/10/01/03/287100103.db2.gz IQJZZDAQRPFFQM-MJBXVCDLSA-N 0 3 301.431 0.754 10 0 DCAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000249097681 287106460 /nfs/dbraw/zinc/10/64/60/287106460.db2.gz OSEDRIMHJISFNC-HZSPNIEDSA-N 0 3 303.447 0.736 10 0 DCAEHN CO[C@@H]1CN([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC000251640099 287119472 /nfs/dbraw/zinc/11/94/72/287119472.db2.gz HDGAGTGXOMILKS-GZBFAFLISA-N 0 3 311.426 0.422 10 0 DCAEHN CN(C)CCN1CCN(C(=O)COCc2cccnc2)CC1 ZINC000358404641 287209480 /nfs/dbraw/zinc/20/94/80/287209480.db2.gz YFVPWTRRYIVMPX-UHFFFAOYSA-N 0 3 306.410 0.304 10 0 DCAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCNC(=O)C1 ZINC000057201944 415336962 /nfs/dbraw/zinc/33/69/62/415336962.db2.gz HEYPRHSKRUVNTE-AWEZNQCLSA-N 0 3 304.394 0.301 10 0 DCAEHN COCCN1CCC(NC(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000105193221 415633158 /nfs/dbraw/zinc/63/31/58/415633158.db2.gz KRTKDDPHFQNVKR-MRXNPFEDSA-N 0 3 324.469 0.977 10 0 DCAEHN O=S(=O)(N1CCOCC1)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107707490 415670744 /nfs/dbraw/zinc/67/07/44/415670744.db2.gz QZXYMABDOZZCID-CQSZACIVSA-N 0 3 317.455 0.514 10 0 DCAEHN CCN1CCN([C@H](C)CNc2cncc(OCCO)n2)CC1 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416543294 /nfs/dbraw/zinc/54/32/94/416543294.db2.gz GWERCFVVLAURJB-FXUDXRNXSA-N 0 3 300.443 0.957 10 0 DCAEHN C[C@H](CNC(=O)NCc1ccn(C)n1)CN1CCN(C)CC1 ZINC000535022772 416513379 /nfs/dbraw/zinc/51/33/79/416513379.db2.gz VZRBQZYBDPAPPB-CYBMUJFWSA-N 0 3 308.430 0.103 10 0 DCAEHN Cc1ncc(CNC(=O)Nc2ccn(CCN(C)C)n2)s1 ZINC000438712548 416600774 /nfs/dbraw/zinc/60/07/74/416600774.db2.gz XERXHYCHEMITCW-UHFFFAOYSA-N 0 3 308.411 1.531 10 0 DCAEHN CC(C(=O)N(C)CCCN(C)C)S(=O)(=O)C1CCOCC1 ZINC000538314691 416567346 /nfs/dbraw/zinc/56/73/46/416567346.db2.gz NQNMPYFEHAHYAD-GFCCVEGCSA-N 0 3 320.455 0.379 10 0 DCAEHN CN(C)CCN1CCN(C(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000544463449 416655349 /nfs/dbraw/zinc/65/53/49/416655349.db2.gz HPZHAXKVEKGKPS-UHFFFAOYSA-N 0 3 317.433 0.965 10 0 DCAEHN O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000545383433 416674342 /nfs/dbraw/zinc/67/43/42/416674342.db2.gz MBQBILFJXWKDIY-DOTOQJQBSA-N 0 3 305.422 0.990 10 0 DCAEHN CC(=O)[C@](C)(O)CN(C)CCCN1C(=O)c2ccccc2C1=O ZINC000425530799 416713502 /nfs/dbraw/zinc/71/35/02/416713502.db2.gz BLTRSZCKOYERDN-QGZVFWFLSA-N 0 3 318.373 0.945 10 0 DCAEHN C[C@@H](C(=O)N1CCN(CCN(C)C)CC1)N1CCSCC1 ZINC000442905161 416718857 /nfs/dbraw/zinc/71/88/57/416718857.db2.gz VHQMMYSNHJGFJE-AWEZNQCLSA-N 0 3 314.499 0.130 10 0 DCAEHN c1nc2n(c1CN[C@@H]1CCN(c3ccc4nncn4n3)C1)CCC2 ZINC000623651967 416865338 /nfs/dbraw/zinc/86/53/38/416865338.db2.gz ZZCXIEQTNJEXMX-GFCCVEGCSA-N 0 3 324.392 0.636 10 0 DCAEHN N[C@@H]1CCCCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000631961442 416836784 /nfs/dbraw/zinc/83/67/84/416836784.db2.gz PKDJHZDQFIADEN-LLVKDONJSA-N 0 3 324.468 0.097 10 0 DCAEHN CCC(=O)N[C@@H]1CCCN(C[C@H](O)CO[C@@H](C)COC)C1 ZINC000447347329 416990751 /nfs/dbraw/zinc/99/07/51/416990751.db2.gz KKMYSHOEVGMRRN-MJBXVCDLSA-N 0 3 302.415 0.389 10 0 DCAEHN COC[C@H](O)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404201061 417119224 /nfs/dbraw/zinc/11/92/24/417119224.db2.gz KFUWONXJNNRUBT-KURKYZTESA-N 0 3 320.433 0.969 10 0 DCAEHN 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303.160 0.024 10 0 DCAEHN CCOC(=O)[C@@H]1CN(C[C@H](O)COCC(C)C)CC12COC2 ZINC000451137507 417306846 /nfs/dbraw/zinc/30/68/46/417306846.db2.gz PCCQCXCKSIHOTM-KBPBESRZSA-N 0 3 315.410 0.531 10 0 DCAEHN CCOC(=O)[C@@H]1CN(C(=O)C23CCCN2CCC3)CC12COC2 ZINC000452227912 417460757 /nfs/dbraw/zinc/46/07/57/417460757.db2.gz URDBEOHDBPAYDD-ZDUSSCGKSA-N 0 3 322.405 0.653 10 0 DCAEHN C[C@H](NC(=O)CN[C@@H]1CCCC[C@@H]1n1cccn1)C(=O)N(C)C ZINC000127789647 299060564 /nfs/dbraw/zinc/06/05/64/299060564.db2.gz SQGRJANRAKVUSR-MJBXVCDLSA-N 0 3 321.425 0.549 10 0 DCAEHN CCOC(=O)CCCNC(=O)CN(C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187935384 261125131 /nfs/dbraw/zinc/12/51/31/261125131.db2.gz LRMQFFAPPSBQKU-BBRMVZONSA-N 0 3 314.426 0.929 10 0 DCAEHN CN(C)CCn1ccc(NC(=O)Nc2ccc(C(N)=O)nc2)n1 ZINC000191547299 261137348 /nfs/dbraw/zinc/13/73/48/261137348.db2.gz DHJSDUFKKXFOBD-UHFFFAOYSA-N 0 3 317.353 0.583 10 0 DCAEHN CN(C)[C@@]1(CNC(=O)NC[C@@H](CO)C2CC2)CCSC1 ZINC000358891859 261710008 /nfs/dbraw/zinc/71/00/08/261710008.db2.gz YJPSDFVHRGWFRT-GXTWGEPZSA-N 0 3 301.456 0.741 10 0 DCAEHN CC(C)(C)OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](CN)[C@@H]1O ZINC000071607091 277207819 /nfs/dbraw/zinc/20/78/19/277207819.db2.gz VBMBXQGSXMXDJC-GARJFASQSA-N 0 3 316.398 0.883 10 0 DCAEHN COC(=O)CNC(=O)CCN1CCCN(c2ccccn2)CC1 ZINC000183859371 277321853 /nfs/dbraw/zinc/32/18/53/277321853.db2.gz NHLQRSOLKHKMHN-UHFFFAOYSA-N 0 3 320.393 0.273 10 0 DCAEHN CO[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)N(C)C1 ZINC000329126650 277345715 /nfs/dbraw/zinc/34/57/15/277345715.db2.gz MSYZILSTRIRFTQ-AVGNSLFASA-N 0 3 307.398 0.886 10 0 DCAEHN CC(=O)N[C@@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000407998346 278143109 /nfs/dbraw/zinc/14/31/09/278143109.db2.gz OTTSGVXVOZANHD-CQSZACIVSA-N 0 3 308.426 0.923 10 0 DCAEHN C[C@@H](CN1CCOCC1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000091587556 278263828 /nfs/dbraw/zinc/26/38/28/278263828.db2.gz XPIJMIRBEUIUIN-DLBZAZTESA-N 0 3 311.470 0.894 10 0 DCAEHN CC1=CCN(CCNC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000547272805 288035331 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287029726 /nfs/dbraw/zinc/02/97/26/287029726.db2.gz XQOBIUANGZCWFB-NSHDSACASA-N 0 3 310.423 0.871 10 0 DCAEHN C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)[C@H](C)CO1 ZINC000246085762 287076279 /nfs/dbraw/zinc/07/62/79/287076279.db2.gz GFAUUQMIFQJCPJ-AAVRWANBSA-N 0 3 319.471 0.612 10 0 DCAEHN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H]1C[C@H](C)O ZINC000246687947 287086750 /nfs/dbraw/zinc/08/67/50/287086750.db2.gz MEWJMBWXPRCBLI-SCRDCRAPSA-N 0 3 311.426 0.347 10 0 DCAEHN COC(=O)c1ccc(N2CCC[C@@H]2CN2CCC[C@H]2CO)nn1 ZINC000301739559 287141922 /nfs/dbraw/zinc/14/19/22/287141922.db2.gz XATHDNULWIPICN-OLZOCXBDSA-N 0 3 320.393 0.689 10 0 DCAEHN CC(C)NC(=O)CCN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134606 415320030 /nfs/dbraw/zinc/32/00/30/415320030.db2.gz FSFIPKXSTPUBPM-ZDUSSCGKSA-N 0 3 319.471 0.695 10 0 DCAEHN C[C@@H](CNC(=O)N1CCN(C2CC2)CC1)CN1CCN(C)CC1 ZINC000074655341 415432935 /nfs/dbraw/zinc/43/29/35/415432935.db2.gz TXEAWYJKWLUHIF-HNNXBMFYSA-N 0 3 323.485 0.360 10 0 DCAEHN COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000078962596 415469582 /nfs/dbraw/zinc/46/95/82/415469582.db2.gz YHXKJCKDSFUPCU-OCCSQVGLSA-N 0 3 324.425 0.160 10 0 DCAEHN COC(=O)[C@@H]1CCCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085792358 415506768 /nfs/dbraw/zinc/50/67/68/415506768.db2.gz XVPHJFNQMDTPFI-QWHCGFSZSA-N 0 3 318.439 0.543 10 0 DCAEHN CCN1CCN(C(=O)[C@@H](C)N2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000333299997 415604514 /nfs/dbraw/zinc/60/45/14/415604514.db2.gz MDKRXPMXLRPOHI-KGLIPLIRSA-N 0 3 320.441 0.537 10 0 DCAEHN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCc4cn[nH]c43)C[C@H]21 ZINC000285532462 415615604 /nfs/dbraw/zinc/61/56/04/415615604.db2.gz NSYGEMAVVPSXES-BFHYXJOUSA-N 0 3 319.409 0.902 10 0 DCAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105148739 415630619 /nfs/dbraw/zinc/63/06/19/415630619.db2.gz XRQNJHGMQGMUDP-ZIAGYGMSSA-N 0 3 300.447 0.593 10 0 DCAEHN Cn1nc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1C1CC1 ZINC000289879788 415732211 /nfs/dbraw/zinc/73/22/11/415732211.db2.gz AMPYZUPDJOVYLN-LBPRGKRZSA-N 0 3 317.393 0.543 10 0 DCAEHN CCN1CCN(CCCCNC(=O)NC[C@@H](O)C(C)C)CC1 ZINC000153565829 415983999 /nfs/dbraw/zinc/98/39/99/415983999.db2.gz RJNZIMZHLILKSW-OAHLLOKOSA-N 0 3 314.474 0.720 10 0 DCAEHN CC[C@H](C)N(C)CCNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173119575 416054536 /nfs/dbraw/zinc/05/45/36/416054536.db2.gz GPYJVVKYTYOLIU-AVGNSLFASA-N 0 3 307.460 0.660 10 0 DCAEHN O=C(NCc1ccccc1)c1nn(CCO)c2c1CNCC2 ZINC000299794985 416070112 /nfs/dbraw/zinc/07/01/12/416070112.db2.gz JJCXYGUXYCQRIM-UHFFFAOYSA-N 0 3 300.362 0.451 10 0 DCAEHN CN(C)[C@H]1CCN(C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000170835746 416035081 /nfs/dbraw/zinc/03/50/81/416035081.db2.gz SFRWHXPXJFWBKR-NSHDSACASA-N 0 3 300.403 0.857 10 0 DCAEHN CN(C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000170867512 416036863 /nfs/dbraw/zinc/03/68/63/416036863.db2.gz YAYXXZQDEHMETH-STQMWFEESA-N 0 3 305.378 0.791 10 0 DCAEHN CN(C)C[C@H]1CN(C(=O)CCOC2CCOCC2)CCO1 ZINC000175421145 416106332 /nfs/dbraw/zinc/10/63/32/416106332.db2.gz SCHONKFLWNCDQD-AWEZNQCLSA-N 0 3 300.399 0.361 10 0 DCAEHN Cc1nccn1CCCCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000175458978 416107165 /nfs/dbraw/zinc/10/71/65/416107165.db2.gz JFKFJSUAVKFJKU-HNNXBMFYSA-N 0 3 323.441 0.944 10 0 DCAEHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](O)C(C)C)CC1 ZINC000175816902 416115134 /nfs/dbraw/zinc/11/51/34/416115134.db2.gz NVQQEROZEPZYLH-CABCVRRESA-N 0 3 314.474 0.576 10 0 DCAEHN Cc1ncc(CN2CCN(C(=O)[C@@]3(F)CCNC3)CC2)s1 ZINC000178884197 416175708 /nfs/dbraw/zinc/17/57/08/416175708.db2.gz HFFVJNLUHQBPSX-CQSZACIVSA-N 0 3 312.414 0.797 10 0 DCAEHN Cc1cnn(-c2ccc(C(=O)NC[C@]3(O)CCN(C)C3)cc2)c1 ZINC000358048965 416177501 /nfs/dbraw/zinc/17/75/01/416177501.db2.gz NTKLOXYITWNHFW-QGZVFWFLSA-N 0 3 314.389 0.977 10 0 DCAEHN CN(C)C[C@@H]1CN(Cc2cn(Cc3cccnc3)nn2)CCO1 ZINC000182933551 416233462 /nfs/dbraw/zinc/23/34/62/416233462.db2.gz UMVRGMRSDDXSJV-MRXNPFEDSA-N 0 3 316.409 0.484 10 0 DCAEHN COCCO[C@H]1CCCN(C[C@H](O)CN2CCCC2=O)C1 ZINC000179287829 416183980 /nfs/dbraw/zinc/18/39/80/416183980.db2.gz MAIFGLOTKQKAQQ-KBPBESRZSA-N 0 3 300.399 0.097 10 0 DCAEHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179498267 416189196 /nfs/dbraw/zinc/18/91/96/416189196.db2.gz NQVVPYQZKMHIBI-GHMZBOCLSA-N 0 3 315.377 0.983 10 0 DCAEHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179498267 416189203 /nfs/dbraw/zinc/18/92/03/416189203.db2.gz NQVVPYQZKMHIBI-GHMZBOCLSA-N 0 3 315.377 0.983 10 0 DCAEHN CN1CC[C@H](NC(=O)NCC2(CO)COC2)[C@@H]1c1ccccc1 ZINC000179488198 416189815 /nfs/dbraw/zinc/18/98/15/416189815.db2.gz DMYBZADKRVMYOM-GJZGRUSLSA-N 0 3 319.405 0.740 10 0 DCAEHN CN1CC[C@H](NC(=O)N2CCNC(=O)C2)[C@@H]1c1ccccc1 ZINC000179472595 416189844 /nfs/dbraw/zinc/18/98/44/416189844.db2.gz MATWMXYHXVSSIW-ZFWWWQNUSA-N 0 3 302.378 0.573 10 0 DCAEHN CCc1nn(C)c(OC)c1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000179707187 416192210 /nfs/dbraw/zinc/19/22/10/416192210.db2.gz OXEOYDNCTGLOIO-GFCCVEGCSA-N 0 3 321.425 0.981 10 0 DCAEHN CC1CCN(CC(=O)N2CCNC[C@@H]2c2cnn(C)c2)CC1 ZINC000181443827 416207331 /nfs/dbraw/zinc/20/73/31/416207331.db2.gz CGUSRCCIGASAKH-OAHLLOKOSA-N 0 3 305.426 0.625 10 0 DCAEHN CC1=CCN(CCNC(=O)NC[C@H](C)N2CCOCC2)CC1 ZINC000358212186 416212186 /nfs/dbraw/zinc/21/21/86/416212186.db2.gz MBTMACDBOZJDFJ-HNNXBMFYSA-N 0 3 310.442 0.658 10 0 DCAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000182360877 416219840 /nfs/dbraw/zinc/21/98/40/416219840.db2.gz FLUXGSHIGVHDFY-SMDDNHRTSA-N 0 3 309.414 0.786 10 0 DCAEHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000330654005 416224185 /nfs/dbraw/zinc/22/41/85/416224185.db2.gz OGPGZKBPGBPTJQ-GXFFZTMASA-N 0 3 311.407 0.605 10 0 DCAEHN C[C@@H]1CCCN1S(=O)(=O)NC[C@H](O)CN1CCCCC1 ZINC000185008489 416251545 /nfs/dbraw/zinc/25/15/45/416251545.db2.gz QUNBBHOEGVECDA-OLZOCXBDSA-N 0 3 305.444 0.152 10 0 DCAEHN COCCNCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261554763 416335442 /nfs/dbraw/zinc/33/54/42/416335442.db2.gz UMTHYCWPSXDGKL-INIZCTEOSA-N 0 3 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/nfs/dbraw/zinc/06/41/48/396064148.db2.gz MOXFWWVNDSFBGU-GDBMZVCRSA-N 0 3 322.409 0.248 10 0 DCAEHN COCCNCCNC(=O)CNC(=O)Nc1cccc(C)c1 ZINC000152326647 396006267 /nfs/dbraw/zinc/00/62/67/396006267.db2.gz NXWZUXARKUSNCI-UHFFFAOYSA-N 0 3 308.382 0.469 10 0 DCAEHN COCCCN(C)CCNC(=O)c1cccc(-n2cncn2)c1 ZINC000152406649 396008230 /nfs/dbraw/zinc/00/82/30/396008230.db2.gz QKRJTBNLOWIEFK-UHFFFAOYSA-N 0 3 317.393 0.965 10 0 DCAEHN CNC(=O)[C@@H]1CCCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000261972436 396085781 /nfs/dbraw/zinc/08/57/81/396085781.db2.gz ZDAISAAQQANBET-IPJQOSJUSA-N 0 3 323.437 0.504 10 0 DCAEHN COc1cccc(C(=O)NCC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170883191 396100691 /nfs/dbraw/zinc/10/06/91/396100691.db2.gz GSWPFVJQEAGYBS-ZDUSSCGKSA-N 0 3 305.378 0.588 10 0 DCAEHN CCN1CCN(CCn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000070460525 396102117 /nfs/dbraw/zinc/10/21/17/396102117.db2.gz CWMUJGQWBUSOIC-UHFFFAOYSA-N 0 3 308.407 0.389 10 0 DCAEHN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000262156922 396104956 /nfs/dbraw/zinc/10/49/56/396104956.db2.gz XSWDWMNEXLQMNY-RDBSUJKOSA-N 0 3 311.426 0.504 10 0 DCAEHN C[C@@H](C(=O)NC[C@@H]1CCCN1C)N1C(=O)NC2(CCCC2)C1=O ZINC000171088537 396106070 /nfs/dbraw/zinc/10/60/70/396106070.db2.gz DEOLVLQNERYTKV-RYUDHWBXSA-N 0 3 322.409 0.450 10 0 DCAEHN CCCNC(=O)[C@H]1CCCN(C[C@H](O)CN2CCCC2=O)C1 ZINC000171883678 396127757 /nfs/dbraw/zinc/12/77/57/396127757.db2.gz SYLUAKRZUFEOAW-KBPBESRZSA-N 0 3 311.426 0.208 10 0 DCAEHN CCN1CCC[C@@H]1CNC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000175375799 396140508 /nfs/dbraw/zinc/14/05/08/396140508.db2.gz USNIFFOQZICVOA-CQSZACIVSA-N 0 3 310.442 0.981 10 0 DCAEHN Nc1c(NC[C@@H](O)CN2CCCCC2)ncnc1-n1cccn1 ZINC000162418933 396081368 /nfs/dbraw/zinc/08/13/68/396081368.db2.gz PAMUWWJZCGALFO-GFCCVEGCSA-N 0 3 317.397 0.503 10 0 DCAEHN C[C@@H](Cc1nc([C@@H]2CNCCN2C)no1)NC(=O)C1CCCC1 ZINC000263225113 396206656 /nfs/dbraw/zinc/20/66/56/396206656.db2.gz MQHPLRDBUHZKGT-AAEUAGOBSA-N 0 3 321.425 0.883 10 0 DCAEHN CCS(=O)(=O)N(C)CC(=O)NCCN1CCC[C@H](C)C1 ZINC000175995160 396147804 /nfs/dbraw/zinc/14/78/04/396147804.db2.gz GHPWNELMTQNUCP-LBPRGKRZSA-N 0 3 305.444 0.116 10 0 DCAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000262650148 396168359 /nfs/dbraw/zinc/16/83/59/396168359.db2.gz WMEHGLJODLRPJJ-NOZJJQNGSA-N 0 3 306.366 0.214 10 0 DCAEHN CC[C@H](CNC(=O)[C@@H]1COCCN1)N1CCc2ccccc2C1 ZINC000262676386 396171541 /nfs/dbraw/zinc/17/15/41/396171541.db2.gz SAVBPUJLLZCNCZ-SJORKVTESA-N 0 3 317.433 0.928 10 0 DCAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCN1C(=O)CCC1=O ZINC000177511878 396178049 /nfs/dbraw/zinc/17/80/49/396178049.db2.gz BWPZCXNTVXHFFU-GFCCVEGCSA-N 0 3 310.398 0.261 10 0 DCAEHN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN2CCCC[C@@H]2C1 ZINC000177780552 396183007 /nfs/dbraw/zinc/18/30/07/396183007.db2.gz HEBILKFUGVTKMV-NWDGAFQWSA-N 0 3 305.430 0.751 10 0 DCAEHN C[C@@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)[C@H](C)CO ZINC000177801453 396183755 /nfs/dbraw/zinc/18/37/55/396183755.db2.gz WPVGAQPJKXCSEW-VXGBXAGGSA-N 0 3 307.394 0.820 10 0 DCAEHN C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(-n2ccnn2)cc1 ZINC000182006778 396244988 /nfs/dbraw/zinc/24/49/88/396244988.db2.gz CHVIRVGAGLKEAZ-LLVKDONJSA-N 0 3 314.349 0.470 10 0 DCAEHN CCn1cc(CN2CCCN(C(=O)CNC3CC3)CC2)cn1 ZINC000182113183 396246542 /nfs/dbraw/zinc/24/65/42/396246542.db2.gz RHYKUWZNEUVYRJ-UHFFFAOYSA-N 0 3 305.426 0.689 10 0 DCAEHN CN(C)CCn1ccc(NC(=O)NCCCn2ccnn2)n1 ZINC000183764889 396274443 /nfs/dbraw/zinc/27/44/43/396274443.db2.gz SQJVZYJCQPILIB-UHFFFAOYSA-N 0 3 306.374 0.248 10 0 DCAEHN CN(C)CCN1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1 ZINC000184794857 396306852 /nfs/dbraw/zinc/30/68/52/396306852.db2.gz YLYFLFYNPZIWHW-UHFFFAOYSA-N 0 3 316.409 0.288 10 0 DCAEHN C[C@@H](O)CN1CCN(C(=O)CCCCc2cn[nH]n2)C[C@@H]1C ZINC000184820351 396308108 /nfs/dbraw/zinc/30/81/08/396308108.db2.gz NMAFLMRSEMKTJB-QWHCGFSZSA-N 0 3 309.414 0.431 10 0 DCAEHN C[C@H]1C[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)CN1C1CC1 ZINC000187490206 396370669 /nfs/dbraw/zinc/37/06/69/396370669.db2.gz JBCABFKTCILHLS-JQWIXIFHSA-N 0 3 306.410 0.532 10 0 DCAEHN CCOC(=O)N[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)CC(C)C ZINC000188388670 396381868 /nfs/dbraw/zinc/38/18/68/396381868.db2.gz YOPMUTYBOAGTSM-SDDRHHMPSA-N 0 3 303.378 0.963 10 0 DCAEHN C[C@@H]1C[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)CN1C1CC1 ZINC000188890696 396388245 /nfs/dbraw/zinc/38/82/45/396388245.db2.gz QPHLMAAEIIBMAF-YPMHNXCESA-N 0 3 320.437 0.922 10 0 DCAEHN CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188973534 396389310 /nfs/dbraw/zinc/38/93/10/396389310.db2.gz CGUIEZMWYITSMK-QWHCGFSZSA-N 0 3 301.406 0.503 10 0 DCAEHN C[C@@H]1CN(CC(=O)N2CCc3ccccc3C2)C[C@H]1C(N)=O ZINC000286379483 396391547 /nfs/dbraw/zinc/39/15/47/396391547.db2.gz ZFJADBOLNDOTQQ-IUODEOHRSA-N 0 3 301.390 0.625 10 0 DCAEHN CN(C)CCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000192772679 396437424 /nfs/dbraw/zinc/43/74/24/396437424.db2.gz FQTPDKQKSSUUTE-UHFFFAOYSA-N 0 3 317.397 0.019 10 0 DCAEHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)c1cccnc1 ZINC000268867881 396375568 /nfs/dbraw/zinc/37/55/68/396375568.db2.gz FTHZMLBGMPFFQJ-BXUZGUMPSA-N 0 3 302.378 0.410 10 0 DCAEHN COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@@H]1C ZINC000193403166 396450294 /nfs/dbraw/zinc/45/02/94/396450294.db2.gz NBTSBYYSVFSWLW-DTWKUNHWSA-N 0 3 318.420 0.811 10 0 DCAEHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000595119637 396551900 /nfs/dbraw/zinc/55/19/00/396551900.db2.gz YBESHZLFHZTBBQ-ZETCQYMHSA-N 0 3 304.368 0.569 10 0 DCAEHN CC(=O)N1CCN([C@H]2CNC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536956899 396609803 /nfs/dbraw/zinc/60/98/03/396609803.db2.gz ANMJQEQYHUIVMX-UONOGXRCSA-N 0 3 311.426 0.470 10 0 DCAEHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CN1C1CC1 ZINC000584686158 396614954 /nfs/dbraw/zinc/61/49/54/396614954.db2.gz IKVVWMLOIFDUCY-IPYPFGDCSA-N 0 3 320.437 0.034 10 0 DCAEHN CNC(=O)c1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cn1 ZINC000590707704 396827206 /nfs/dbraw/zinc/82/72/06/396827206.db2.gz 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/nfs/dbraw/zinc/23/11/29/285231129.db2.gz IVHQXEUGAHGDNJ-CHWSQXEVSA-N 0 3 308.426 0.971 10 0 DCAEHN C[C@@H]1C[C@@H](NC(=O)NCc2cc(C(N)=O)co2)CN1C1CC1 ZINC000187489496 533623814 /nfs/dbraw/zinc/62/38/14/533623814.db2.gz HPAITEYHWKLMHZ-MWLCHTKSSA-N 0 3 306.366 0.803 10 0 DCAEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccn(C)c1=O ZINC000086449417 395703834 /nfs/dbraw/zinc/70/38/34/395703834.db2.gz RBIHLDGVJNCKNP-GFCCVEGCSA-N 0 3 322.409 0.416 10 0 DCAEHN C[C@@H](NCCN1C(=O)CCC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000089684447 395713627 /nfs/dbraw/zinc/71/36/27/395713627.db2.gz PTETWAAHVNEPLY-LLVKDONJSA-N 0 3 324.402 0.890 10 0 DCAEHN CCCNC(=O)CCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000045072654 395761405 /nfs/dbraw/zinc/76/14/05/395761405.db2.gz SCVWNGOWFSUDCO-NSHDSACASA-N 0 3 313.423 0.901 10 0 DCAEHN C[C@H]1CCCN(CCNC(=O)NCC(=O)NCc2ccco2)C1 ZINC000045160526 395761674 /nfs/dbraw/zinc/76/16/74/395761674.db2.gz QURNOXAGTIFOMR-ZDUSSCGKSA-N 0 3 322.409 0.927 10 0 DCAEHN CN1CCC[C@H](CNC(=O)Cn2cnc3ccccc3c2=O)C1 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321.381 0.757 10 0 DCAEHN COC(=O)CCCS(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246306313 395947231 /nfs/dbraw/zinc/94/72/31/395947231.db2.gz FTRPJZRCJIZDCN-NEPJUHHUSA-N 0 3 304.412 0.438 10 0 DCAEHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C)[nH]n2)CC1=O ZINC000246815303 395958828 /nfs/dbraw/zinc/95/88/28/395958828.db2.gz CHARXWQLEGFODI-QWHCGFSZSA-N 0 3 319.409 0.989 10 0 DCAEHN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000248915900 396000298 /nfs/dbraw/zinc/00/02/98/396000298.db2.gz JWPBMRHYOMVQON-DGAVXFQQSA-N 0 3 302.440 0.910 10 0 DCAEHN Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247402593 395973383 /nfs/dbraw/zinc/97/33/83/395973383.db2.gz PMSNBVWADMSSSE-MFKMUULPSA-N 0 3 304.394 0.915 10 0 DCAEHN CSCCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000150899711 395974678 /nfs/dbraw/zinc/97/46/78/395974678.db2.gz UBMLSVLWPXEJFO-UHFFFAOYSA-N 0 3 313.427 0.253 10 0 DCAEHN CN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H]1c1ccccc1 ZINC000247975359 395981296 /nfs/dbraw/zinc/98/12/96/395981296.db2.gz GFKCGSOKMKBYHW-CJNGLKHVSA-N 0 3 312.373 0.956 10 0 DCAEHN OC[C@@H]1C[C@@H](O)CN1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000248387681 395985069 /nfs/dbraw/zinc/98/50/69/395985069.db2.gz BRKFUMJFTLTYSI-ZNMIVQPWSA-N 0 3 315.797 0.645 10 0 DCAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000248423202 395986914 /nfs/dbraw/zinc/98/69/14/395986914.db2.gz DSMIJCJRPOIBAC-STQMWFEESA-N 0 3 319.409 0.623 10 0 DCAEHN COCCN1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000261633998 396051104 /nfs/dbraw/zinc/05/11/04/396051104.db2.gz CJECHFZIPCIBFR-KRWDZBQOSA-N 0 3 317.433 0.882 10 0 DCAEHN C[C@@H]1CN(CCCNC(=O)[C@H](N)C2CCOCC2)C[C@@H](C)O1 ZINC000261660675 396053300 /nfs/dbraw/zinc/05/33/00/396053300.db2.gz FSDVAUCYQNSXNN-UMVBOHGHSA-N 0 3 313.442 0.356 10 0 DCAEHN Cc1ccc(C(=O)NCCNC(=O)C2(N)CCOCC2)cc1F ZINC000261744126 396061291 /nfs/dbraw/zinc/06/12/91/396061291.db2.gz DWWYPURNSRZZES-UHFFFAOYSA-N 0 3 323.368 0.488 10 0 DCAEHN COc1cccc([C@@H](CNC(=O)C2(N)CCOCC2)N(C)C)c1 ZINC000261827520 396070548 /nfs/dbraw/zinc/07/05/48/396070548.db2.gz XFFGMQHUHONRFU-OAHLLOKOSA-N 0 3 321.421 0.922 10 0 DCAEHN CC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170845230 396098457 /nfs/dbraw/zinc/09/84/57/396098457.db2.gz KECYXVREBCKUJJ-CQSZACIVSA-N 0 3 318.377 0.746 10 0 DCAEHN C[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000071413145 396113303 /nfs/dbraw/zinc/11/33/03/396113303.db2.gz LCUKWTODNOQDLT-PWSUYJOCSA-N 0 3 312.391 0.734 10 0 DCAEHN NC(=O)NC(=O)CCCN1CCC(Nc2cccnn2)CC1 ZINC000171552930 396118626 /nfs/dbraw/zinc/11/86/26/396118626.db2.gz SVZUGIUVCXXYEB-UHFFFAOYSA-N 0 3 306.370 0.328 10 0 DCAEHN O=C(CNC(=O)[C@H]1C[C@@H](O)CN1)Nc1cccc2ccccc21 ZINC000262397821 396135641 /nfs/dbraw/zinc/13/56/41/396135641.db2.gz NSCZKFVUOVDVGR-IUODEOHRSA-N 0 3 313.357 0.617 10 0 DCAEHN C[C@H](N1CCN(C(=O)C2(N)CCOCC2)CC1)C(F)(F)F ZINC000261921112 396079751 /nfs/dbraw/zinc/07/97/51/396079751.db2.gz UYPXDHJXLYQQQM-JTQLQIEISA-N 0 3 309.332 0.589 10 0 DCAEHN 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10 0 DCAEHN CN1CCNC[C@@H]1c1noc(-c2cccc(NC(N)=O)c2)n1 ZINC000263183066 396205138 /nfs/dbraw/zinc/20/51/38/396205138.db2.gz GYBXCMWNFBHCCN-LLVKDONJSA-N 0 3 302.338 0.803 10 0 DCAEHN CN(Cc1nc([C@H]2CNCCN2C)no1)C(=O)c1cccs1 ZINC000263232516 396207861 /nfs/dbraw/zinc/20/78/61/396207861.db2.gz NPCUMDBZWHSYIF-SNVBAGLBSA-N 0 3 321.406 0.979 10 0 DCAEHN CN(C)[C@H]1CCN(C(=O)CCOc2cccc(C(N)=O)c2)C1 ZINC000175979255 396148282 /nfs/dbraw/zinc/14/82/82/396148282.db2.gz HGASXOZQCAESGN-ZDUSSCGKSA-N 0 3 305.378 0.717 10 0 DCAEHN CNC(=O)Cn1ccc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)cc21 ZINC000262545689 396153158 /nfs/dbraw/zinc/15/31/58/396153158.db2.gz RXEFBCRMCXSWJM-OLZOCXBDSA-N 0 3 316.361 0.049 10 0 DCAEHN C[C@H](CNC(=O)[C@H]1CCCn2ccnc21)CN1CCN(C)CC1 ZINC000176299003 396153664 /nfs/dbraw/zinc/15/36/64/396153664.db2.gz CWKJCDGZIONOBB-CABCVRRESA-N 0 3 319.453 0.760 10 0 DCAEHN COC[C@](C)(CCO)NC[C@@H](O)COc1ccccc1F ZINC000176386886 396154598 /nfs/dbraw/zinc/15/45/98/396154598.db2.gz 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302.396 0.273 10 0 DCAEHN NC(=O)c1ccc(NCC(=O)N2CCCN(C3CC3)CC2)cc1 ZINC000073177991 158054172 /nfs/dbraw/zinc/05/41/72/158054172.db2.gz UVVKHMFEFDLUPF-UHFFFAOYSA-N 0 3 316.405 0.894 10 0 DCAEHN COCCCN1CCC(NC(=O)N[C@@H](C)[C@H](C)CO)CC1 ZINC000077807897 158070202 /nfs/dbraw/zinc/07/02/02/158070202.db2.gz DMMVQWCKTFRDTI-OLZOCXBDSA-N 0 3 301.431 0.803 10 0 DCAEHN C[C@H]1CN(C2CCN(CC(=O)NC(=O)NC3CC3)CC2)CCO1 ZINC000079490516 158079078 /nfs/dbraw/zinc/07/90/78/158079078.db2.gz GLGPSNRRJYKTHA-LBPRGKRZSA-N 0 3 324.425 0.160 10 0 DCAEHN CC(C)N1CCO[C@H](CN2CCN(CCCCCO)CC2)C1 ZINC000105915157 158132482 /nfs/dbraw/zinc/13/24/82/158132482.db2.gz CWRVKNBZVAGSOV-QGZVFWFLSA-N 0 3 313.486 0.876 10 0 DCAEHN CN(C)C[C@H]1CN(S(=O)(=O)N(C)C2CCCCC2)CCO1 ZINC000116900962 158168826 /nfs/dbraw/zinc/16/88/26/158168826.db2.gz AFSPGBFIBLVCNY-AWEZNQCLSA-N 0 3 319.471 0.758 10 0 DCAEHN COCCN1CCN(C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C ZINC000117473699 158171747 /nfs/dbraw/zinc/17/17/47/158171747.db2.gz 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/nfs/dbraw/zinc/33/40/79/158334079.db2.gz MGUKBEGCUVFWEH-AWEZNQCLSA-N 0 3 315.377 0.670 10 0 DCAEHN CC(C)(O)CN1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000135405088 158336707 /nfs/dbraw/zinc/33/67/07/158336707.db2.gz AAONHYKILWUEFO-GFCCVEGCSA-N 0 3 306.410 0.745 10 0 DCAEHN COCCN1CCC[C@H]1CNC(=O)N[C@H](CO)CC(C)C ZINC000139841280 158347433 /nfs/dbraw/zinc/34/74/33/158347433.db2.gz DIXXVMPQHPDCRL-KBPBESRZSA-N 0 3 301.431 0.803 10 0 DCAEHN C[C@H]1CN(c2ccc(CNC(=O)C3(N)CC3)cn2)C[C@H](C)O1 ZINC000164669770 158363988 /nfs/dbraw/zinc/36/39/88/158363988.db2.gz YZEZHXSYBFTJNF-RYUDHWBXSA-N 0 3 304.394 0.803 10 0 DCAEHN CC(C)[C@@H](C)NC(=O)C1CCN(CCCS(N)(=O)=O)CC1 ZINC000170914362 158378144 /nfs/dbraw/zinc/37/81/44/158378144.db2.gz ALAQUFQTSGUDMQ-GFCCVEGCSA-N 0 3 319.471 0.538 10 0 DCAEHN CCN1CCC[C@H](NC(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000171554051 158384683 /nfs/dbraw/zinc/38/46/83/158384683.db2.gz SLOLYLKOHUDOSH-NSHDSACASA-N 0 3 317.397 0.390 10 0 DCAEHN Cc1nn(C)c(C)c1CCNC(=O)N1CCO[C@@H](CN(C)C)C1 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ZINC000170866904 416036853 /nfs/dbraw/zinc/03/68/53/416036853.db2.gz BGEUYYDNNWOGKZ-UWVGGRQHSA-N 0 3 307.316 0.560 10 0 DCAEHN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN3CCC[C@@H]3C1)CS2 ZINC000171585844 416040230 /nfs/dbraw/zinc/04/02/30/416040230.db2.gz WKULMVUEJZJSJZ-XUJVJEKNSA-N 0 3 309.435 0.747 10 0 DCAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NCC(=O)N1CCCC1 ZINC000175347368 416104165 /nfs/dbraw/zinc/10/41/65/416104165.db2.gz ANXKYTFVAGYONV-CQSZACIVSA-N 0 3 310.442 0.141 10 0 DCAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000177696307 416150500 /nfs/dbraw/zinc/15/05/00/416150500.db2.gz PLVMEURLOOSKBC-HOTGVXAUSA-N 0 3 310.486 0.955 10 0 DCAEHN COc1cc(C)c(C(=O)NC[C@@]2(O)CCN(C)C2)cc1OC ZINC000358074427 416187824 /nfs/dbraw/zinc/18/78/24/416187824.db2.gz RPIBUVLZFOWUTR-INIZCTEOSA-N 0 3 308.378 0.809 10 0 DCAEHN Cn1ncc2c1ncc(C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)c2[O-] ZINC000181956250 416214517 /nfs/dbraw/zinc/21/45/17/416214517.db2.gz IIRVQGQUZMWNEW-SNVBAGLBSA-N 0 3 301.350 0.594 10 0 DCAEHN 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10 0 DCAEHN CC[C@@H]1CN(C[C@@H](O)COCC(C)C)CCN1C[C@H](C)O ZINC000247393849 416332796 /nfs/dbraw/zinc/33/27/96/416332796.db2.gz XLRVFCSRYREKDE-ARFHVFGLSA-N 0 3 302.459 0.797 10 0 DCAEHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1COCCN1 ZINC000237900289 416329173 /nfs/dbraw/zinc/32/91/73/416329173.db2.gz HRMYWUPUZOBLAR-HOTGVXAUSA-N 0 3 303.406 0.756 10 0 DCAEHN CN(C)CCOCCNC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000360273952 416383653 /nfs/dbraw/zinc/38/36/53/416383653.db2.gz VORZXIHGGRRRAO-ZIAGYGMSSA-N 0 3 311.426 0.329 10 0 DCAEHN CN(C)C[C@@](C)(O)CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000360490599 416392800 /nfs/dbraw/zinc/39/28/00/416392800.db2.gz KNUDVBODWFTXRT-HNNXBMFYSA-N 0 3 305.382 0.675 10 0 DCAEHN CC(=O)N1CCC[C@H](C(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000434421746 416477849 /nfs/dbraw/zinc/47/78/49/416477849.db2.gz XVFABOAEGVOSBH-GJZGRUSLSA-N 0 3 311.426 0.208 10 0 DCAEHN CN(C)c1nccc(N2CCN(CCc3cncn3C)CC2)n1 ZINC000459337310 416535146 /nfs/dbraw/zinc/53/51/46/416535146.db2.gz JEJFXFLZFWZBLQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/26/68/76/417266876.db2.gz DSKCNNIPLZKZFX-ZWKOTPCHSA-N 0 3 320.433 0.895 10 0 DCAEHN O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1CNCCOC1 ZINC000643641287 417281296 /nfs/dbraw/zinc/28/12/96/417281296.db2.gz MSOBBIDIVDHOJC-INIZCTEOSA-N 0 3 314.389 0.784 10 0 DCAEHN CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H](O)C(C)(C)C ZINC000638279730 417404186 /nfs/dbraw/zinc/40/41/86/417404186.db2.gz VNVYPOQIZYIUIS-CABCVRRESA-N 0 3 307.438 0.969 10 0 DCAEHN CCOC(=O)[C@@H]1CN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC12COC2 ZINC000452608191 417492807 /nfs/dbraw/zinc/49/28/07/417492807.db2.gz AGMBPPIIUKLEJK-IHRRRGAJSA-N 0 3 324.421 0.897 10 0 DCAEHN C[C@H](O)CN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000653895542 418116835 /nfs/dbraw/zinc/11/68/35/418116835.db2.gz AYLQWKVYDQBJST-AAEUAGOBSA-N 0 3 318.373 0.489 10 0 DCAEHN NC(=O)[C@H](O)C1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000299746719 229390092 /nfs/dbraw/zinc/39/00/92/229390092.db2.gz ZIWDJVUOXPOFEB-OAHLLOKOSA-N 0 3 315.373 0.999 10 0 DCAEHN CCN1CCC[C@H](NC(=O)NCCC(=O)N2CCOCC2)C1 ZINC000194139040 261145129 /nfs/dbraw/zinc/14/51/29/261145129.db2.gz HDOCAWQLIBFCJK-ZDUSSCGKSA-N 0 3 312.414 0.019 10 0 DCAEHN O=C1NC(=O)[C@@]2(CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)N1 ZINC000363753851 271203623 /nfs/dbraw/zinc/20/36/23/271203623.db2.gz STOWSSVKQDDMLT-HNNXBMFYSA-N 0 3 315.333 0.844 10 0 DCAEHN Cc1ccn(C)c(=O)c1NC(=O)NCCNc1ccncc1 ZINC000535756796 287841621 /nfs/dbraw/zinc/84/16/21/287841621.db2.gz KWOQLRDVNMCSOY-UHFFFAOYSA-N 0 3 301.350 0.744 10 0 DCAEHN CCN1CCC[C@H](Nc2cc(N3CCN(C)C(=O)C3)ncn2)C1 ZINC000302565940 276179173 /nfs/dbraw/zinc/17/91/73/276179173.db2.gz NHRIXUNPEORNHZ-ZDUSSCGKSA-N 0 3 318.425 0.651 10 0 DCAEHN CC(C)(C)n1cc(C(=O)NC[C@H](O)CN2CCCCC2)nn1 ZINC000189572643 278580578 /nfs/dbraw/zinc/58/05/78/278580578.db2.gz HQAGJWLJJYTOSL-LBPRGKRZSA-N 0 3 309.414 0.610 10 0 DCAEHN CCN(CCO)CCNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000187343561 279208341 /nfs/dbraw/zinc/20/83/41/279208341.db2.gz BVADACVGFVCXNX-GJZGRUSLSA-N 0 3 323.441 0.980 10 0 DCAEHN CCO[C@@H]1C[C@H](N[C@H]2CCC(=O)N(C)C2=O)C12CCOCC2 ZINC000333592620 279880911 /nfs/dbraw/zinc/88/09/11/279880911.db2.gz PJAAYAAXEWNSDH-RWMBFGLXSA-N 0 3 310.394 0.698 10 0 DCAEHN Cc1cnn(C)c1CNCCN1CCN(C(=O)C2CCC2)CC1 ZINC000552013192 288258919 /nfs/dbraw/zinc/25/89/19/288258919.db2.gz CQIKKWTUEIYPBI-UHFFFAOYSA-N 0 3 319.453 0.762 10 0 DCAEHN C[NH+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000194490519 289162673 /nfs/dbraw/zinc/16/26/73/289162673.db2.gz VNPOERAJGMLATP-ZDUSSCGKSA-N 0 3 305.378 0.675 10 0 DCAEHN CC(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)S(C)(=O)=O ZINC000248037036 298176454 /nfs/dbraw/zinc/17/64/54/298176454.db2.gz LKRCKDBGWMRKJZ-BNOWGMLFSA-N 0 3 310.419 0.981 10 0 DCAEHN C[C@H](N)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000157127210 298943816 /nfs/dbraw/zinc/94/38/16/298943816.db2.gz JZWLMHMTFODRBQ-QWRGUYRKSA-N 0 3 318.377 0.556 10 0 DCAEHN Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CNCC[C@@H]3C)cc12 ZINC000193411440 302791844 /nfs/dbraw/zinc/79/18/44/302791844.db2.gz BOCMQTRHEYMROJ-ZANVPECISA-N 0 3 323.422 0.553 10 0 DCAEHN CN(C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000584551458 337360489 /nfs/dbraw/zinc/36/04/89/337360489.db2.gz HZHRKCBRVWXXEH-KGLIPLIRSA-N 0 3 323.437 0.757 10 0 DCAEHN COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCNCC2)C1=O ZINC000137476635 533865921 /nfs/dbraw/zinc/86/59/21/533865921.db2.gz KFBQZUWQSWGCQI-GFCCVEGCSA-N 0 3 323.780 0.886 10 0 DCAEHN CCC[C@@H](C(=O)NCCC(=O)NCc1ccccn1)N(C)C ZINC000157367486 520586633 /nfs/dbraw/zinc/58/66/33/520586633.db2.gz ADNFTDRWWCDEJL-AWEZNQCLSA-N 0 3 306.410 0.934 10 0 DCAEHN CN(C)C[C@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)CCO1 ZINC000121872559 521881209 /nfs/dbraw/zinc/88/12/09/521881209.db2.gz XDEMGBDZKYYCGI-NSHDSACASA-N 0 3 319.361 0.534 10 0 DCAEHN COCC(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000157231062 522723998 /nfs/dbraw/zinc/72/39/98/522723998.db2.gz NYCOKZFINMXVMV-HNNXBMFYSA-N 0 3 321.421 0.380 10 0 DCAEHN COC(=O)Cn1cc(CCN2CC[C@]3(O)CCCC[C@@H]3C2)nn1 ZINC000157182717 523393371 /nfs/dbraw/zinc/39/33/71/523393371.db2.gz IFPZOBBKGJJKBM-CZUORRHYSA-N 0 3 322.409 0.621 10 0 DCAEHN CO[C@@H]1CC[C@H]2OCCN(CCC(=O)N3CCOCC3)[C@@H]2C1 ZINC000158281437 523725408 /nfs/dbraw/zinc/72/54/08/523725408.db2.gz FNXRAXDPTUXFKN-RBSFLKMASA-N 0 3 312.410 0.504 10 0 DCAEHN Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1=O ZINC000267552942 527076618 /nfs/dbraw/zinc/07/66/18/527076618.db2.gz CSTBBEVJOKIGGA-LLVKDONJSA-N 0 3 306.366 0.186 10 0 DCAEHN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170867635 528808643 /nfs/dbraw/zinc/80/86/43/528808643.db2.gz LBIVUZNFLKHKMW-STQMWFEESA-N 0 3 317.455 0.353 10 0 DCAEHN COCC(=O)Nc1ccc2c(c1)OCC(=O)N2CCN(C)C ZINC000016689638 536772652 /nfs/dbraw/zinc/77/26/52/536772652.db2.gz SWXXJMHPTDGVMX-UHFFFAOYSA-N 0 3 307.350 0.559 10 0 DCAEHN NC(=O)[C@@]1(N)CC[C@H](n2cc(I)cn2)C1 ZINC000086627133 545706721 /nfs/dbraw/zinc/70/67/21/545706721.db2.gz FFJZGGWZZZWWNT-IONNQARKSA-N 0 3 320.134 0.396 10 0 DCAEHN CC1(OCC(=O)N2CCN(Cc3ccsc3)CC2)CNC1 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158067923 /nfs/dbraw/zinc/06/79/23/158067923.db2.gz MDGBHULIXOMUMR-UHFFFAOYSA-N 0 3 311.426 0.614 10 0 DCAEHN COCCN1C[C@H](C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1=O ZINC000113228817 158145490 /nfs/dbraw/zinc/14/54/90/158145490.db2.gz NYZJIIYFZIYDHN-BFHYXJOUSA-N 0 3 309.410 0.176 10 0 DCAEHN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)C[C@@H](C)O1 ZINC000115586336 158163329 /nfs/dbraw/zinc/16/33/29/158163329.db2.gz ULOLNJFJGGRLFL-MGPQQGTHSA-N 0 3 319.471 0.614 10 0 DCAEHN CN(C)C[C@@H]1CN(C(=O)COCCOc2ccccc2)CCO1 ZINC000116793423 158167660 /nfs/dbraw/zinc/16/76/60/158167660.db2.gz WGQSOUMIQSZIRH-MRXNPFEDSA-N 0 3 322.405 0.871 10 0 DCAEHN COCCN1CCC[C@@H]1CNC(=O)CCNC(=O)CC(C)C ZINC000118975496 158180641 /nfs/dbraw/zinc/18/06/41/158180641.db2.gz QTNKNFMRBJYPHI-CQSZACIVSA-N 0 3 313.442 0.766 10 0 DCAEHN CCN(CC)CC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119962679 158191745 /nfs/dbraw/zinc/19/17/45/158191745.db2.gz DRBYWLMRGFCNLX-CYBMUJFWSA-N 0 3 317.455 0.355 10 0 DCAEHN 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DDXNPUBIZXQZNL-ZDUSSCGKSA-N 0 3 319.471 0.111 10 0 DCAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000577652746 397350748 /nfs/dbraw/zinc/35/07/48/397350748.db2.gz XVGFIMZTEXORGV-MCIONIFRSA-N 0 3 309.410 0.223 10 0 DCAEHN CS[C@@H]1CN(C(=O)[C@@H](C)NC(N)=O)C[C@H]1N1CCCC1 ZINC000408349291 397353592 /nfs/dbraw/zinc/35/35/92/397353592.db2.gz OHZOZPVVHGFPMK-GMTAPVOTSA-N 0 3 300.428 0.081 10 0 DCAEHN Cc1cc(CCNC(=O)NC2CCN(CCN(C)C)CC2)on1 ZINC000478861829 397455265 /nfs/dbraw/zinc/45/52/65/397455265.db2.gz FSCIUDLKZYWPAV-UHFFFAOYSA-N 0 3 323.441 0.851 10 0 DCAEHN COC(=O)CCCN(C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000602522377 397428095 /nfs/dbraw/zinc/42/80/95/397428095.db2.gz SGBCSQPXEZXJKA-HNNXBMFYSA-N 0 3 321.421 0.857 10 0 DCAEHN C[C@H](C[S@](C)=O)N(C)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000614178790 397393983 /nfs/dbraw/zinc/39/39/83/397393983.db2.gz DVEPNJPBRHPZPD-FIKIJFGZSA-N 0 3 315.443 0.675 10 0 DCAEHN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000578294808 397415048 /nfs/dbraw/zinc/41/50/48/397415048.db2.gz WAZJNMCNLBJYMJ-GFCCVEGCSA-N 0 3 321.425 0.940 10 0 DCAEHN CN(C)CCN1CCN(C(=O)CN(C)c2ccccc2)CC1 ZINC000604018989 397629425 /nfs/dbraw/zinc/62/94/25/397629425.db2.gz CMXNRJGARJOBLA-UHFFFAOYSA-N 0 3 304.438 0.829 10 0 DCAEHN CCOCCCNC(=O)[C@@H](C)N1CCO[C@@H](CN(C)C)C1 ZINC000247381753 286067916 /nfs/dbraw/zinc/06/79/16/286067916.db2.gz VZSODMCUPNRJBV-KGLIPLIRSA-N 0 3 301.431 0.180 10 0 DCAEHN CCN1CCN(CCNC(=O)[C@H]2CCCN2C(=O)C(C)C)CC1 ZINC000058853783 158026302 /nfs/dbraw/zinc/02/63/02/158026302.db2.gz FIVWXTZOQVKOSN-OAHLLOKOSA-N 0 3 324.469 0.387 10 0 DCAEHN CC(C)N(C)CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000067571816 158039559 /nfs/dbraw/zinc/03/95/59/158039559.db2.gz RPEYRBJINDMGJF-AWEZNQCLSA-N 0 3 311.426 0.424 10 0 DCAEHN CN(C)C1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000068079649 158040547 /nfs/dbraw/zinc/04/05/47/158040547.db2.gz DFCQJVXSWIRCBZ-UHFFFAOYSA-N 0 3 302.440 0.896 10 0 DCAEHN CCN(CC)S(=O)(=O)CC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000074229930 158058010 /nfs/dbraw/zinc/05/80/10/158058010.db2.gz SDGWNPJFJWPSQZ-ZDUSSCGKSA-N 0 3 321.487 0.751 10 0 DCAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cn[nH]n3)CC2)nc1 ZINC000114414896 158152540 /nfs/dbraw/zinc/15/25/40/158152540.db2.gz BIXFEJWKSPXCSI-UHFFFAOYSA-N 0 3 315.381 0.224 10 0 DCAEHN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCCN(CC)C1)CC2 ZINC000114940330 158160021 /nfs/dbraw/zinc/16/00/21/158160021.db2.gz KQOXPXFAOTXTEV-OLZOCXBDSA-N 0 3 320.441 0.939 10 0 DCAEHN CCOc1ncccc1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117030771 158169615 /nfs/dbraw/zinc/16/96/15/158169615.db2.gz YTKKJIHCWCTALN-AWEZNQCLSA-N 0 3 322.409 0.952 10 0 DCAEHN CCCC[N@H+](C)CC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000117985659 158174635 /nfs/dbraw/zinc/17/46/35/158174635.db2.gz LLIALXUKLLRREQ-UHFFFAOYSA-N 0 3 324.425 0.509 10 0 DCAEHN CCCC[N@@H+](C)CC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000117985659 158174636 /nfs/dbraw/zinc/17/46/36/158174636.db2.gz LLIALXUKLLRREQ-UHFFFAOYSA-N 0 3 324.425 0.509 10 0 DCAEHN Cc1ccccc1C(=O)NCC(=O)NC[C@@](C)(O)CN(C)C ZINC000123859759 158235582 /nfs/dbraw/zinc/23/55/82/158235582.db2.gz WKQCUZZNOCGLLP-MRXNPFEDSA-N 0 3 307.394 0.154 10 0 DCAEHN O=S(=O)([N-]C[C@@H]1CC[NH2+]C1)c1cncc(Br)c1 ZINC000133742447 158321821 /nfs/dbraw/zinc/32/18/21/158321821.db2.gz HXYAMZSYRJUZGT-MRVPVSSYSA-N 0 3 320.212 0.732 10 0 DCAEHN CN1CCN([C@@H]2CCCCN(CC(=O)N3CCCC3)C2)CC1 ZINC000136070318 158341515 /nfs/dbraw/zinc/34/15/15/158341515.db2.gz SWWQHLHPAQLYCZ-MRXNPFEDSA-N 0 3 308.470 0.711 10 0 DCAEHN CC[C@@H](C)NC(=O)CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000172125556 158390883 /nfs/dbraw/zinc/39/08/83/158390883.db2.gz USEZDGKVHXOSRC-CHWSQXEVSA-N 0 3 314.430 0.263 10 0 DCAEHN CC(C)N1CC[C@@H](NC(=O)N2CCCN(C3CC3)CC2)C1=O ZINC000172233879 158392103 /nfs/dbraw/zinc/39/21/03/158392103.db2.gz AJDPSWHMHDAKKD-CQSZACIVSA-N 0 3 308.426 0.875 10 0 DCAEHN CCOC(CN1CCC[C@H](C(=O)N2CCOCC2)C1)OCC ZINC000184936964 158512548 /nfs/dbraw/zinc/51/25/48/158512548.db2.gz ATYVFQSJBSKKOJ-AWEZNQCLSA-N 0 3 314.426 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/nfs/dbraw/zinc/13/24/64/159132464.db2.gz DVKSWSSLSRVOPS-GFCCVEGCSA-N 0 3 300.428 0.913 10 0 DCAEHN C[C@@H]1CN(S(=O)(=O)NCCN2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000408063570 160026666 /nfs/dbraw/zinc/02/66/66/160026666.db2.gz VSDZGJVLQNIBGL-MELADBBJSA-N 0 3 319.471 0.804 10 0 DCAEHN C[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CC[S@]1=O ZINC000408211595 160060856 /nfs/dbraw/zinc/06/08/56/160060856.db2.gz PXXMETVHPAHURC-XUSGNXJCSA-N 0 3 313.467 0.182 10 0 DCAEHN CCN1CCC(NC(=O)CN2CC[S@](=O)[C@H](C)C2)CC1 ZINC000408211248 160061068 /nfs/dbraw/zinc/06/10/68/160061068.db2.gz NNMYORIMPNEYML-ODXCJYRJSA-N 0 3 301.456 0.040 10 0 DCAEHN CN(C)CC1(C(=O)N2CCS(=O)(=O)CC2)CCCCC1 ZINC000408229484 160064779 /nfs/dbraw/zinc/06/47/79/160064779.db2.gz SPPAJUCWSSCUBJ-UHFFFAOYSA-N 0 3 302.440 0.756 10 0 DCAEHN Cc1nnc([C@@H]2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CCO2)[n-]1 ZINC000408271776 160073352 /nfs/dbraw/zinc/07/33/52/160073352.db2.gz ZJNSRVNUWNQMCV-LOWVWBTDSA-N 0 3 307.398 0.886 10 0 DCAEHN 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/nfs/dbraw/zinc/11/34/04/160113404.db2.gz PRTVJXNUSYNHNQ-LBPRGKRZSA-N 0 3 304.456 0.893 10 0 DCAEHN CC[C@@H](O)CN(Cc1ccccc1)C[C@H](O)CN1CCOCC1 ZINC000134485191 287016444 /nfs/dbraw/zinc/01/64/44/287016444.db2.gz WXJWTHYGDQKWTM-QZTJIDSGSA-N 0 3 322.449 0.953 10 0 DCAEHN COCC(=O)N[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)C(C)C ZINC000137113968 287027863 /nfs/dbraw/zinc/02/78/63/287027863.db2.gz QTQQNAIRCHEDOO-HIFRSBDPSA-N 0 3 315.458 0.866 10 0 DCAEHN CC(=O)N[C@@H](CC(=O)NC[C@](C)(O)CN(C)C)c1ccccc1 ZINC000153046745 287046345 /nfs/dbraw/zinc/04/63/45/287046345.db2.gz DPSMHRSAMNJHMS-RDJZCZTQSA-N 0 3 321.421 0.683 10 0 DCAEHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000177340508 287054303 /nfs/dbraw/zinc/05/43/03/287054303.db2.gz YRPGOXFNCQGAKV-ZNMIVQPWSA-N 0 3 322.453 0.269 10 0 DCAEHN Cc1nc(CN2CCN(C(=O)[C@@]3(C)CCCCN3)CC2)no1 ZINC000181005649 287055898 /nfs/dbraw/zinc/05/58/98/287055898.db2.gz PQVOMMXGXBDXSN-OAHLLOKOSA-N 0 3 307.398 0.554 10 0 DCAEHN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000246184812 287078610 /nfs/dbraw/zinc/07/86/10/287078610.db2.gz HQUOISLYPHCXSI-MRVWCRGKSA-N 0 3 308.426 0.922 10 0 DCAEHN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN3CCC[C@H]3C1)CS2 ZINC000247385403 287093232 /nfs/dbraw/zinc/09/32/32/287093232.db2.gz WKULMVUEJZJSJZ-HUBLWGQQSA-N 0 3 309.435 0.747 10 0 DCAEHN CO[C@@H]1CN([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC000251640104 287119510 /nfs/dbraw/zinc/11/95/10/287119510.db2.gz HDGAGTGXOMILKS-KCQAQPDRSA-N 0 3 311.426 0.422 10 0 DCAEHN CC(=O)NCCCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000057203567 415337279 /nfs/dbraw/zinc/33/72/79/415337279.db2.gz DMRXZODNWFKQLL-INIZCTEOSA-N 0 3 320.437 0.985 10 0 DCAEHN CC(C)NC(=O)CNC(=O)c1ccccc1OCCN(C)C ZINC000060760300 415348004 /nfs/dbraw/zinc/34/80/04/415348004.db2.gz YUAKJURJRAHMJK-UHFFFAOYSA-N 0 3 307.394 0.881 10 0 DCAEHN COCCN1CCC[C@@H]1CNC(=O)NCC(C)(C)CCO ZINC000074167243 415428372 /nfs/dbraw/zinc/42/83/72/415428372.db2.gz KKWLHLIFDZHJEI-CYBMUJFWSA-N 0 3 301.431 0.805 10 0 DCAEHN COC[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[C@@H]1CCCO1 ZINC000333091611 415553647 /nfs/dbraw/zinc/55/36/47/415553647.db2.gz ZPWIOJWJNKMLHQ-XQLPTFJDSA-N 0 3 311.426 0.916 10 0 DCAEHN C[C@H]1CN(C2CCN(CCCN3C(=O)CNC3=O)CC2)CCO1 ZINC000104947437 415625685 /nfs/dbraw/zinc/62/56/85/415625685.db2.gz PMKKUJHADCYKLP-ZDUSSCGKSA-N 0 3 324.425 0.113 10 0 DCAEHN CNC(=O)c1ccn([C@@H]2CCCN(CC3(C(=O)OC)CC3)C2)n1 ZINC000283650902 415589969 /nfs/dbraw/zinc/58/99/69/415589969.db2.gz CLAPLQURPSABQB-GFCCVEGCSA-N 0 3 320.393 0.833 10 0 DCAEHN O=S(=O)(NC1CNC1)c1cc2c(cc1Cl)OCCO2 ZINC000123837981 415846192 /nfs/dbraw/zinc/84/61/92/415846192.db2.gz QWVGQOCCRKGXRY-UHFFFAOYSA-N 0 3 304.755 0.361 10 0 DCAEHN CS(=O)(=O)N1CCC[C@H](CN2CCSC[C@@H]2CCO)C1 ZINC000336821040 415819972 /nfs/dbraw/zinc/81/99/72/415819972.db2.gz GGZZGRSQYMBNOF-OLZOCXBDSA-N 0 3 322.496 0.458 10 0 DCAEHN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCCN(C)C ZINC000126118178 415874782 /nfs/dbraw/zinc/87/47/82/415874782.db2.gz ADSYOGWXDWDLPF-GFCCVEGCSA-N 0 3 317.393 0.646 10 0 DCAEHN CC(C)Cn1ccnc1CNC(=O)NC[C@](C)(O)CN(C)C ZINC000128363990 415897427 /nfs/dbraw/zinc/89/74/27/415897427.db2.gz BQGMWPPQORIGMN-HNNXBMFYSA-N 0 3 311.430 0.651 10 0 DCAEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1cccnc1 ZINC000133466909 415945505 /nfs/dbraw/zinc/94/55/05/415945505.db2.gz DJLAUFFRASLUMB-CABCVRRESA-N 0 3 316.405 0.897 10 0 DCAEHN Cc1cc(F)cc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000153455488 415980596 /nfs/dbraw/zinc/98/05/96/415980596.db2.gz NVRNKYFOJBXUQY-CQSZACIVSA-N 0 3 323.368 0.862 10 0 DCAEHN O=C(NCCNc1ccncc1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000357239267 416050243 /nfs/dbraw/zinc/05/02/43/416050243.db2.gz SBQTWUXIFKBUGW-GFCCVEGCSA-N 0 3 317.393 0.226 10 0 DCAEHN CCOC(=O)CCS(=O)(=O)N1C[C@H]2CCCN2C[C@H]1CC ZINC000173727187 416063784 /nfs/dbraw/zinc/06/37/84/416063784.db2.gz FVDRVXYEHHRTSO-CHWSQXEVSA-N 0 3 318.439 0.828 10 0 DCAEHN COc1cccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 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397360659 /nfs/dbraw/zinc/36/06/59/397360659.db2.gz IZBLNXKTERRVGA-UHFFFAOYSA-N 0 3 300.428 0.979 10 0 DCAEHN CC[C@@H](NC(=O)[C@H](N)CN(C)Cc1ccccc1)C(=O)OC ZINC000602437850 397401818 /nfs/dbraw/zinc/40/18/18/397401818.db2.gz AGFYFXQYHBINNR-ZIAGYGMSSA-N 0 3 307.394 0.514 10 0 DCAEHN O=C(CNC(=O)N[C@H]1CCN(C2CC2)C1)NCc1ccco1 ZINC000604162330 397631857 /nfs/dbraw/zinc/63/18/57/397631857.db2.gz IMISFAPJHSYOEF-NSHDSACASA-N 0 3 306.366 0.432 10 0 DCAEHN CS(=O)(=O)C1(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CCNCC1 ZINC000262301176 286585646 /nfs/dbraw/zinc/58/56/46/286585646.db2.gz ZZYXTBBWVBLVRC-ZIAGYGMSSA-N 0 3 322.430 0.826 10 0 DCAEHN CN1CCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000074707381 158059958 /nfs/dbraw/zinc/05/99/58/158059958.db2.gz NOSAWMBDHQLWIC-UHFFFAOYSA-N 0 3 311.407 0.292 10 0 DCAEHN COCC(C)(C)NCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000076496260 158064457 /nfs/dbraw/zinc/06/44/57/158064457.db2.gz DVWQDFIXSJITFU-CQSZACIVSA-N 0 3 315.458 0.474 10 0 DCAEHN 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318.385 0.304 10 0 DCAEHN CN(CC(=O)N1CCNC(=O)C1)C[C@@H]1CCc2nccn2C1 ZINC000328626825 396825330 /nfs/dbraw/zinc/82/53/30/396825330.db2.gz FLUCUNAIQZWDDC-LBPRGKRZSA-N 0 3 305.382 0.176 10 0 DCAEHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332821251 396895206 /nfs/dbraw/zinc/89/52/06/396895206.db2.gz BARHWLURQLEFJL-XDQVBPFNSA-N 0 3 322.413 0.200 10 0 DCAEHN O=C(N[C@H]1CCn2ccnc2C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000333001471 396914074 /nfs/dbraw/zinc/91/40/74/396914074.db2.gz MPARLSYPLOKONF-UONOGXRCSA-N 0 3 301.394 0.854 10 0 DCAEHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000380256059 397269742 /nfs/dbraw/zinc/26/97/42/397269742.db2.gz PNMMEFRFVOHOLU-APBUJDDRSA-N 0 3 316.448 0.896 10 0 DCAEHN CS(=O)(=O)Nc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000407952442 397334517 /nfs/dbraw/zinc/33/45/17/397334517.db2.gz HHMHVAJPYZIHAT-CQSZACIVSA-N 0 3 323.418 0.978 10 0 DCAEHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(C2CC2)C1=O ZINC000408073510 397346668 /nfs/dbraw/zinc/34/66/68/397346668.db2.gz WOZMCRCNNOVHOR-YNEHKIRRSA-N 0 3 315.439 0.200 10 0 DCAEHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408277231 397352088 /nfs/dbraw/zinc/35/20/88/397352088.db2.gz NYEMLKYXUWIYHS-GRYCIOLGSA-N 0 3 303.428 0.009 10 0 DCAEHN CC(=O)N(C)CC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000620914173 397319802 /nfs/dbraw/zinc/31/98/02/397319802.db2.gz KTJBFMRICCJKQC-CQSZACIVSA-N 0 3 311.426 0.567 10 0 DCAEHN C[C@](O)(CN1CCC[C@H](C(=O)N2CCOCC2)C1)C(F)(F)F ZINC000369201887 397433959 /nfs/dbraw/zinc/43/39/59/397433959.db2.gz CZVCXBVJQVOHEA-AAEUAGOBSA-N 0 3 324.343 0.871 10 0 DCAEHN CC[C@@H](NC(=O)[C@@H](N)CN(C)Cc1ccccc1)C(=O)OC ZINC000602437848 397401405 /nfs/dbraw/zinc/40/14/05/397401405.db2.gz AGFYFXQYHBINNR-UONOGXRCSA-N 0 3 307.394 0.514 10 0 DCAEHN Cc1ccc2c(c1)N(C(=O)C(=O)NCCNc1ccncc1)CC2 ZINC000606107544 397677485 /nfs/dbraw/zinc/67/74/85/397677485.db2.gz XFEUACLZHDCQNV-UHFFFAOYSA-N 0 3 324.384 0.929 10 0 DCAEHN 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0.610 10 0 DCAEHN CN(C)[C@@H](CNC(=O)CSC[C@@H](O)CO)c1ccccc1 ZINC000177408598 416144507 /nfs/dbraw/zinc/14/45/07/416144507.db2.gz HDCCDEUBXPADBX-KBPBESRZSA-N 0 3 312.435 0.492 10 0 DCAEHN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C1 ZINC000329120853 416151786 /nfs/dbraw/zinc/15/17/86/416151786.db2.gz KIBJXKSIZFVTHP-IVMMDQJWSA-N 0 3 309.410 0.055 10 0 DCAEHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179498275 416189126 /nfs/dbraw/zinc/18/91/26/416189126.db2.gz NQVVPYQZKMHIBI-WDEREUQCSA-N 0 3 315.377 0.983 10 0 DCAEHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179498275 416189129 /nfs/dbraw/zinc/18/91/29/416189129.db2.gz NQVVPYQZKMHIBI-WDEREUQCSA-N 0 3 315.377 0.983 10 0 DCAEHN C[C@@H](NC[C@H](O)Cn1cccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000181567005 416209180 /nfs/dbraw/zinc/20/91/80/416209180.db2.gz SGBPBTCQRBQIHR-YPMHNXCESA-N 0 3 324.406 0.242 10 0 DCAEHN Cc1cc(C)nc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000193476342 416317811 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418105318 /nfs/dbraw/zinc/10/53/18/418105318.db2.gz HDQBNETWOVAWTE-NXEZZACHSA-N 0 3 317.436 0.365 10 0 DCAEHN CN(C(=O)N[C@H]1CCOC1)C1CCN(CCn2cccn2)CC1 ZINC000179159509 261111476 /nfs/dbraw/zinc/11/14/76/261111476.db2.gz XYCFZCMWFYNAQJ-AWEZNQCLSA-N 0 3 321.425 0.778 10 0 DCAEHN COCCN1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000194186017 261144965 /nfs/dbraw/zinc/14/49/65/261144965.db2.gz GCEDAWAGZGNDFL-OAHLLOKOSA-N 0 3 314.474 0.936 10 0 DCAEHN CN(C)CCN1CCN(C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000359117570 271096224 /nfs/dbraw/zinc/09/62/24/271096224.db2.gz SVAOXHSOVMIUAH-UHFFFAOYSA-N 0 3 305.426 0.617 10 0 DCAEHN CCCN1CCC[C@@H]1C(=O)NCC1(C(=O)OC)CCOCC1 ZINC000359615381 271132776 /nfs/dbraw/zinc/13/27/76/271132776.db2.gz GUZLSJGQVRIDFR-CYBMUJFWSA-N 0 3 312.410 0.947 10 0 DCAEHN O=C(NCCNc1ccncc1)C1(C(=O)NC2CC2)CCC1 ZINC000536015651 287848863 /nfs/dbraw/zinc/84/88/63/287848863.db2.gz CNJRHZUHEFFAOI-UHFFFAOYSA-N 0 3 302.378 0.481 10 0 DCAEHN CN1CC[C@@H]2CCN(C(=O)N[C@H]3CCCn4ncnc43)[C@@H]2C1 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158158141 /nfs/dbraw/zinc/15/81/41/158158141.db2.gz QQXSKKCTFGYAOA-AWEZNQCLSA-N 0 3 304.394 0.778 10 0 DCAEHN CN(C)C[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000116784225 158167419 /nfs/dbraw/zinc/16/74/19/158167419.db2.gz JPEQHLPUNVZRPV-ZFWWWQNUSA-N 0 3 323.437 0.567 10 0 DCAEHN Cc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1C(N)=O ZINC000118816911 158179334 /nfs/dbraw/zinc/17/93/34/158179334.db2.gz NCYUUOMKXNSFKQ-ZDUSSCGKSA-N 0 3 320.393 0.888 10 0 DCAEHN C[C@H]1C[C@H](N(C)C(=O)CN2C(=O)NC(C)(C)C2=O)CCN1C ZINC000124221172 158239823 /nfs/dbraw/zinc/23/98/23/158239823.db2.gz FZJMKMWTSNOTOD-WDEREUQCSA-N 0 3 310.398 0.258 10 0 DCAEHN CC[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)N(C)C ZINC000124649877 158245101 /nfs/dbraw/zinc/24/51/01/158245101.db2.gz QJEPKHCFOJVFIW-KGLIPLIRSA-N 0 3 311.426 0.424 10 0 DCAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCN1CCOCC1 ZINC000124842920 158247776 /nfs/dbraw/zinc/24/77/76/158247776.db2.gz VVTYNJMWXADJEN-CQSZACIVSA-N 0 3 300.447 0.594 10 0 DCAEHN 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304.394 0.870 10 0 DCAEHN CCCCOCCNC(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000105924219 261107969 /nfs/dbraw/zinc/10/79/69/261107969.db2.gz IORWPOUCVOAWHG-CQSZACIVSA-N 0 3 301.431 0.182 10 0 DCAEHN CCN1CCC[C@@H](NC(=O)NCCNC(=O)c2cccnc2)C1 ZINC000194145471 261145177 /nfs/dbraw/zinc/14/51/77/261145177.db2.gz HPKKVTLXVICQND-CQSZACIVSA-N 0 3 319.409 0.595 10 0 DCAEHN CN1CCC[C@H]1CNC(=O)CCn1c2ccccc2n(C)c1=O ZINC000194713953 261147594 /nfs/dbraw/zinc/14/75/94/261147594.db2.gz OVNCOENXPQZNJT-ZDUSSCGKSA-N 0 3 316.405 0.941 10 0 DCAEHN CCO[C@@H]1C[C@@H](NC(=O)NCCNc2ccncc2)[C@H]1OC ZINC000362110320 262000534 /nfs/dbraw/zinc/00/05/34/262000534.db2.gz RMVGECIONOFAGQ-MGPQQGTHSA-N 0 3 308.382 0.407 10 0 DCAEHN CC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000362349406 262024491 /nfs/dbraw/zinc/02/44/91/262024491.db2.gz APHPZUVVQOYIQC-JKSUJKDBSA-N 0 3 322.453 0.236 10 0 DCAEHN Cc1nn(C)c(N2CCCN(C)CC2)c1CN[C@H]1CCOC1 ZINC000363990448 262138324 /nfs/dbraw/zinc/13/83/24/262138324.db2.gz 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199142670 /nfs/dbraw/zinc/14/26/70/199142670.db2.gz MNIDQVIBIDTMKF-UHFFFAOYSA-N 0 3 304.394 0.893 10 0 DCAEHN Cc1nc(C)n(C[C@@H]2CCCN(CCCS(N)(=O)=O)C2)n1 ZINC000171604489 237134910 /nfs/dbraw/zinc/13/49/10/237134910.db2.gz CZYLFKLLKHNTQV-CYBMUJFWSA-N 0 3 315.443 0.286 10 0 DCAEHN C[C@H]1C[C@@H](NC(=O)NCc2cc(C(N)=O)co2)CN1C1CC1 ZINC000187489516 237351856 /nfs/dbraw/zinc/35/18/56/237351856.db2.gz HPAITEYHWKLMHZ-GXSJLCMTSA-N 0 3 306.366 0.803 10 0 DCAEHN CCC[C@@H](C(=O)NC1CCN(C(=O)CCOC)CC1)N(C)C ZINC000159201262 291234379 /nfs/dbraw/zinc/23/43/79/291234379.db2.gz OOHUNISCJOFJBO-AWEZNQCLSA-N 0 3 313.442 0.860 10 0 DCAEHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000164122354 291247084 /nfs/dbraw/zinc/24/70/84/291247084.db2.gz CYWIYBVHBSLBCX-GFCCVEGCSA-N 0 3 320.397 0.082 10 0 DCAEHN C[C@@H](NC(=O)CN1CCN2CCC[C@@H]2C1)C(=O)N1CCCCC1 ZINC000171638904 296048345 /nfs/dbraw/zinc/04/83/45/296048345.db2.gz PQSLGFUHQRGTNW-HUUCEWRRSA-N 0 3 322.453 0.284 10 0 DCAEHN 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396068435 /nfs/dbraw/zinc/06/84/35/396068435.db2.gz AECWIEZVBCJMCG-UHFFFAOYSA-N 0 3 308.382 0.135 10 0 DCAEHN CC1(C)NC(=O)N(CCN2CCNC[C@H]2c2cccnc2)C1=O ZINC000261814782 396068744 /nfs/dbraw/zinc/06/87/44/396068744.db2.gz RUHZIOKWMSRTDW-ZDUSSCGKSA-N 0 3 317.393 0.358 10 0 DCAEHN CCO[C@H]1C[C@@H](O)C12CCN(CCCS(=O)(=O)NC)CC2 ZINC000152721204 396015245 /nfs/dbraw/zinc/01/52/45/396015245.db2.gz NFMVXALJGHHLCC-OLZOCXBDSA-N 0 3 320.455 0.178 10 0 DCAEHN N[C@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C1CCOCC1 ZINC000261991125 396087734 /nfs/dbraw/zinc/08/77/34/396087734.db2.gz MTLZTTBMDVNPPE-KGLIPLIRSA-N 0 3 319.409 0.316 10 0 DCAEHN N[C@H](C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)C1CCOCC1 ZINC000262015534 396089900 /nfs/dbraw/zinc/08/99/00/396089900.db2.gz OLSPRCBUWGUTHG-CJNGLKHVSA-N 0 3 323.437 0.790 10 0 DCAEHN CC(C)[C@H](CNC(=O)N1CC[C@H](N(C)C)C1)N1CCOCC1 ZINC000170828074 396098432 /nfs/dbraw/zinc/09/84/32/396098432.db2.gz HUXVKZTXYNIYDC-GJZGRUSLSA-N 0 3 312.458 0.689 10 0 DCAEHN 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/nfs/dbraw/zinc/66/23/18/396662318.db2.gz NLWKOALCKIMWRN-ZDUSSCGKSA-N 0 3 308.430 0.019 10 0 DCAEHN CC[C@H]1CN(c2ncccc2C(=O)NC)CCN1C[C@H](C)O ZINC000301410256 396716431 /nfs/dbraw/zinc/71/64/31/396716431.db2.gz OPKXYLORWORYDZ-STQMWFEESA-N 0 3 306.410 0.723 10 0 DCAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1cnc(N)n1 ZINC000309864394 396760046 /nfs/dbraw/zinc/76/00/46/396760046.db2.gz FALHMGXTFNQPKS-LBPRGKRZSA-N 0 3 302.382 0.497 10 0 DCAEHN CN(CC1CC1)C[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1 ZINC000328634718 396826603 /nfs/dbraw/zinc/82/66/03/396826603.db2.gz MYNKZFVQWAHTEB-KGLIPLIRSA-N 0 3 309.410 0.922 10 0 DCAEHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329323557 396842876 /nfs/dbraw/zinc/84/28/76/396842876.db2.gz VCBWBHBKASMJOG-YJNKXOJESA-N 0 3 323.437 0.707 10 0 DCAEHN Cc1noc(C2(C)CCN(C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000364696221 397235514 /nfs/dbraw/zinc/23/55/14/397235514.db2.gz LHCSJPAPNLYVLM-AWEZNQCLSA-N 0 3 324.425 0.425 10 0 DCAEHN 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/nfs/dbraw/zinc/02/84/00/158028400.db2.gz BDIWZDIDQOJJKO-UHFFFAOYSA-N 0 3 322.331 0.545 10 0 DCAEHN C[C@@H]1CN(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)C[C@@H](C)O1 ZINC000066106018 158036436 /nfs/dbraw/zinc/03/64/36/158036436.db2.gz SCBJXIOMHSQZSZ-MCIONIFRSA-N 0 3 317.455 0.511 10 0 DCAEHN COCCCN1CCC(NC(=O)N[C@@H](C)[C@@H](C)CO)CC1 ZINC000077807896 158069989 /nfs/dbraw/zinc/06/99/89/158069989.db2.gz DMMVQWCKTFRDTI-STQMWFEESA-N 0 3 301.431 0.803 10 0 DCAEHN CN1CCN([C@@H]2CCCCN(C(=O)NC[C@@H]3CCCO3)C2)CC1 ZINC000093886157 158123118 /nfs/dbraw/zinc/12/31/18/158123118.db2.gz VECWIRAHOQGNGL-CVEARBPZSA-N 0 3 324.469 0.977 10 0 DCAEHN COC(=O)CNC(=O)[C@H](C)N1CCC(Cc2nccn2C)CC1 ZINC000105876334 158131474 /nfs/dbraw/zinc/13/14/74/158131474.db2.gz NMIRNJMGPXCGFE-LBPRGKRZSA-N 0 3 322.409 0.352 10 0 DCAEHN COC(=O)[C@H]1CCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000114454970 158153216 /nfs/dbraw/zinc/15/32/16/158153216.db2.gz LHGFXTQVINFSHX-CQSZACIVSA-N 0 3 309.410 0.367 10 0 DCAEHN CCS(=O)(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114495966 158154860 /nfs/dbraw/zinc/15/48/60/158154860.db2.gz IVRRYEYOWILUNH-UHFFFAOYSA-N 0 3 312.439 0.615 10 0 DCAEHN COC(=O)c1ccc(S(=O)(=O)[N-]CCC[NH3+])c(Cl)c1 ZINC000122694390 158222899 /nfs/dbraw/zinc/22/28/99/158222899.db2.gz ABSNNXBRDHSCAR-UHFFFAOYSA-N 0 3 306.771 0.754 10 0 DCAEHN CO[C@@]1(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000123300417 158229257 /nfs/dbraw/zinc/22/92/57/158229257.db2.gz TVFYHJHUVUBTDZ-SMDDNHRTSA-N 0 3 314.407 0.790 10 0 DCAEHN CO[C@]1(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000123301091 158229502 /nfs/dbraw/zinc/22/95/02/158229502.db2.gz TVFYHJHUVUBTDZ-RISCZKNCSA-N 0 3 314.407 0.790 10 0 DCAEHN C[C@@H]1C[C@@H](N(C)C(=O)CCSc2nnnn2C)CCN1C ZINC000123811036 158233738 /nfs/dbraw/zinc/23/37/38/158233738.db2.gz ICCWXXQRSWIMHX-MNOVXSKESA-N 0 3 312.443 0.633 10 0 DCAEHN CNc1snc(C)c1C(=O)NCC1CCN(CCO)CC1 ZINC000132884481 158313765 /nfs/dbraw/zinc/31/37/65/158313765.db2.gz BRZXNQQTNXUXQT-UHFFFAOYSA-N 0 3 312.439 0.927 10 0 DCAEHN 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ZINC000332858279 415496771 /nfs/dbraw/zinc/49/67/71/415496771.db2.gz DXICXNSIUAXPRN-CDGCEXEKSA-N 0 3 323.397 0.077 10 0 DCAEHN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCN2CCC[C@H]2C1 ZINC000332711551 415452021 /nfs/dbraw/zinc/45/20/21/415452021.db2.gz DQNBILAVRYKWSU-STQMWFEESA-N 0 3 306.410 0.677 10 0 DCAEHN CN(C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3ccnc32)CCO1 ZINC000333456589 415657061 /nfs/dbraw/zinc/65/70/61/415657061.db2.gz OQIKROYKSDVTRT-UONOGXRCSA-N 0 3 321.425 0.733 10 0 DCAEHN COCCN(C)S(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000111341911 415692432 /nfs/dbraw/zinc/69/24/32/415692432.db2.gz ITCJVERMGVVHEF-AWEZNQCLSA-N 0 3 319.471 0.760 10 0 DCAEHN CC(C)Cn1c(N)c(C(=O)CN[C@H](C)C(C)(C)C)c(=O)[nH]c1=O ZINC000114475107 415720859 /nfs/dbraw/zinc/72/08/59/415720859.db2.gz OVSZYPMGAYWKCL-SNVBAGLBSA-N 0 3 324.425 0.982 10 0 DCAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112744145 415715249 /nfs/dbraw/zinc/71/52/49/415715249.db2.gz PDGMGCQKTLRIDU-OLZOCXBDSA-N 0 3 308.430 0.868 10 0 DCAEHN 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/nfs/dbraw/zinc/25/08/77/416250877.db2.gz YVNJSSJASFICJI-ZDUSSCGKSA-N 0 3 310.442 0.981 10 0 DCAEHN Cc1nnc(CN(C)CCCN2CCN(C)CC2)n1C1CC1 ZINC000182965595 416235333 /nfs/dbraw/zinc/23/53/33/416235333.db2.gz RCQCBGPRTKVBJM-UHFFFAOYSA-N 0 3 306.458 0.991 10 0 DCAEHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000183025887 416235458 /nfs/dbraw/zinc/23/54/58/416235458.db2.gz MLZATQUQOHJHEY-NWDGAFQWSA-N 0 3 300.428 0.412 10 0 DCAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H]1CCCS(=O)(=O)C1)CC2 ZINC000183219805 416237431 /nfs/dbraw/zinc/23/74/31/416237431.db2.gz AXRVKAUNCQMOTH-NEPJUHHUSA-N 0 3 312.439 0.883 10 0 DCAEHN CCN(CCO)CCNC(=O)c1snnc1C(C)(C)C ZINC000191971246 416294110 /nfs/dbraw/zinc/29/41/10/416294110.db2.gz JCKOGTRJVSVMCL-UHFFFAOYSA-N 0 3 300.428 0.880 10 0 DCAEHN O=C([N-]c1cnns1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000192014253 416296986 /nfs/dbraw/zinc/29/69/86/416296986.db2.gz UGEXPGGMUUOUKE-LLVKDONJSA-N 0 3 323.422 0.954 10 0 DCAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 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/nfs/dbraw/zinc/40/29/81/396402981.db2.gz OZSYEDYOSGFNKZ-LBPRGKRZSA-N 0 3 308.426 0.638 10 0 DCAEHN CCc1nnc(C2CCN([C@H](C)C(=O)NCC(=O)OC)CC2)[nH]1 ZINC000190708678 396410381 /nfs/dbraw/zinc/41/03/81/396410381.db2.gz DFTJYAIUBCWWAT-SNVBAGLBSA-N 0 3 323.397 0.224 10 0 DCAEHN C[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccnn1C ZINC000192250833 396430732 /nfs/dbraw/zinc/43/07/32/396430732.db2.gz JHGKCASCGZOUJC-LLVKDONJSA-N 0 3 308.407 0.961 10 0 DCAEHN O=C(N1CCCN(C2CCOCC2)CC1)[C@]1(O)CCSC1 ZINC000372315812 396506595 /nfs/dbraw/zinc/50/65/95/396506595.db2.gz HSVPDANKMUGVFP-HNNXBMFYSA-N 0 3 314.451 0.568 10 0 DCAEHN CC(=O)N1CCC(NC(=O)CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)CC1 ZINC000528755304 396564840 /nfs/dbraw/zinc/56/48/40/396564840.db2.gz GMOQVAJHQSONOF-YWDSYVAPSA-N 0 3 311.426 0.515 10 0 DCAEHN CN(C)C[C@H]1CCCN1C(=O)CSc1nnnn1C1CC1 ZINC000589982294 396732795 /nfs/dbraw/zinc/73/27/95/396732795.db2.gz UNMPGQJKEHGWCH-LLVKDONJSA-N 0 3 310.427 0.653 10 0 DCAEHN NC(=O)NC(=O)CCCN1CC[C@@H](c2nc(C3CC3)no2)C1 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ZINC000173941664 416069531 /nfs/dbraw/zinc/06/95/31/416069531.db2.gz SBAZGPOLYODSCM-ZDUSSCGKSA-N 0 3 308.382 0.718 10 0 DCAEHN CC(=O)c1cnc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)s1 ZINC000174945010 416093028 /nfs/dbraw/zinc/09/30/28/416093028.db2.gz FUFQOTSRDFFNMZ-JTQLQIEISA-N 0 3 324.406 0.694 10 0 DCAEHN CCN1CCN(c2ccc(C(=O)NCC(=O)N(C)C)cc2)CC1 ZINC000175001537 416094748 /nfs/dbraw/zinc/09/47/48/416094748.db2.gz ZTICXWNJFFERAT-UHFFFAOYSA-N 0 3 318.421 0.647 10 0 DCAEHN CN(C)C[C@@H]1CN(C(=O)CCOC2CCOCC2)CCO1 ZINC000175421127 416106190 /nfs/dbraw/zinc/10/61/90/416106190.db2.gz SCHONKFLWNCDQD-CQSZACIVSA-N 0 3 300.399 0.361 10 0 DCAEHN CN(C)[C@@H]1CCN(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000175851087 416114400 /nfs/dbraw/zinc/11/44/00/416114400.db2.gz QBURMUPGFOLUEG-GFCCVEGCSA-N 0 3 312.414 0.951 10 0 DCAEHN CCS(=O)(=O)N(C)CC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000176714372 416133398 /nfs/dbraw/zinc/13/33/98/416133398.db2.gz NDRKZAYWQDUKPD-LBPRGKRZSA-N 0 3 305.444 0.068 10 0 DCAEHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCc1cn[nH]c1 ZINC000357918803 416153154 /nfs/dbraw/zinc/15/31/54/416153154.db2.gz MSFIAPFKZNDERW-CYBMUJFWSA-N 0 3 308.430 0.277 10 0 DCAEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329520683 416174196 /nfs/dbraw/zinc/17/41/96/416174196.db2.gz FLQMBBAVMQYNEM-BARDWOONSA-N 0 3 323.437 0.707 10 0 DCAEHN CN1CC[C@@](O)(CNC(=O)c2cc(-c3cccnc3)on2)C1 ZINC000358056352 416181834 /nfs/dbraw/zinc/18/18/34/416181834.db2.gz AZXNIGWKMPOFDX-OAHLLOKOSA-N 0 3 302.334 0.533 10 0 DCAEHN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCCN(C2CC2)CC1 ZINC000182037332 416212779 /nfs/dbraw/zinc/21/27/79/416212779.db2.gz VTMXWVUWIKGJOZ-CYBMUJFWSA-N 0 3 320.437 0.877 10 0 DCAEHN COC(=O)c1cc(C)ccc1S(=O)(=O)NCCNC1CC1 ZINC000183144308 416235902 /nfs/dbraw/zinc/23/59/02/416235902.db2.gz IZEACOGYFWYGBS-UHFFFAOYSA-N 0 3 312.391 0.812 10 0 DCAEHN CNC(=O)NC(=O)CN[C@@H](C)c1ccccc1-n1cccn1 ZINC000183161526 416237159 /nfs/dbraw/zinc/23/71/59/416237159.db2.gz CSSPIWMCNZTFOO-NSHDSACASA-N 0 3 301.350 0.979 10 0 DCAEHN CN1CCN(c2ncc(CNCC3(C)OCCCO3)cn2)CC1 ZINC000192247893 416303695 /nfs/dbraw/zinc/30/36/95/416303695.db2.gz HRZIQGNVVUUFCC-UHFFFAOYSA-N 0 3 321.425 0.471 10 0 DCAEHN CC(=O)NC1CN(C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000191731552 416289235 /nfs/dbraw/zinc/28/92/35/416289235.db2.gz BMECOWVYQTVGRL-QGZVFWFLSA-N 0 3 303.406 0.226 10 0 DCAEHN CN(C)C[C@](C)(O)CNC(=O)c1snnc1C(C)(C)C ZINC000191961240 416293294 /nfs/dbraw/zinc/29/32/94/416293294.db2.gz QUUYVNJFCHGXTH-CYBMUJFWSA-N 0 3 300.428 0.878 10 0 DCAEHN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248869788 416333837 /nfs/dbraw/zinc/33/38/37/416333837.db2.gz BMSLENKTZRRWAE-XUXIUFHCSA-N 0 3 302.440 0.910 10 0 DCAEHN CC(C)[C@H](CNC(=O)[C@H](N)C1CCOCC1)N1CCOCC1 ZINC000261846885 416336060 /nfs/dbraw/zinc/33/60/60/416336060.db2.gz RAYUFMUNEDSKKI-LSDHHAIUSA-N 0 3 313.442 0.213 10 0 DCAEHN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000262441422 416336823 /nfs/dbraw/zinc/33/68/23/416336823.db2.gz 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ZINC000188616910 396383575 /nfs/dbraw/zinc/38/35/75/396383575.db2.gz CTQBBUOKWCQLQF-UHFFFAOYSA-N 0 3 319.380 0.791 10 0 DCAEHN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN3CCC2CC3)C1=O ZINC000188604478 396383582 /nfs/dbraw/zinc/38/35/82/396383582.db2.gz KUYWNNFXHVFXPA-INIZCTEOSA-N 0 3 320.393 0.014 10 0 DCAEHN CC(C)[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)N1CCN(C)CC1 ZINC000188923648 396388449 /nfs/dbraw/zinc/38/84/49/396388449.db2.gz MVMMFDVVNHBKMO-MJBXVCDLSA-N 0 3 300.422 0.075 10 0 DCAEHN O=C(Nc1nncn1-c1ccccc1)c1n[nH]c2c1CNCC2 ZINC000188990606 396389181 /nfs/dbraw/zinc/38/91/81/396389181.db2.gz ASWAJPQKNBOKPH-UHFFFAOYSA-N 0 3 309.333 0.888 10 0 DCAEHN CCOC(=O)C1CCC(O)(CN2CCN(CCO)CC2)CC1 ZINC000191442029 396419292 /nfs/dbraw/zinc/41/92/92/396419292.db2.gz KRRNCQQDFUEBLO-UHFFFAOYSA-N 0 3 314.426 0.081 10 0 DCAEHN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292272040 396541189 /nfs/dbraw/zinc/54/11/89/396541189.db2.gz QETWBQLUQMIWQP-INIZCTEOSA-N 0 3 306.410 0.970 10 0 DCAEHN 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321.487 0.093 10 0 DCAEHN CN1CCC[C@@H]1CNC(=O)NCCNC(=O)c1ccccc1 ZINC000139505318 287029168 /nfs/dbraw/zinc/02/91/68/287029168.db2.gz MWJFLGYSBSATHI-CQSZACIVSA-N 0 3 304.394 0.810 10 0 DCAEHN CCC[C@H](C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)N(C)C ZINC000245925860 287074435 /nfs/dbraw/zinc/07/44/35/287074435.db2.gz XLRONSMCIQUUMJ-YNEHKIRRSA-N 0 3 319.471 0.551 10 0 DCAEHN C[C@H](CN[C@H]1CCCC[C@H]1S(C)(=O)=O)N1CCOCC1 ZINC000246069606 287076066 /nfs/dbraw/zinc/07/60/66/287076066.db2.gz SNZCMKINXUKYOX-HZSPNIEDSA-N 0 3 304.456 0.653 10 0 DCAEHN CC[C@H](C)N(C)CCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246090190 287076683 /nfs/dbraw/zinc/07/66/83/287076683.db2.gz GPYJVVKYTYOLIU-RWMBFGLXSA-N 0 3 307.460 0.660 10 0 DCAEHN COCCN1CCC[C@H]1CNC(=O)N[C@H]1CCCCNC1=O ZINC000247478192 287093975 /nfs/dbraw/zinc/09/39/75/287093975.db2.gz ITUILAAGPCHDQO-STQMWFEESA-N 0 3 312.414 0.065 10 0 DCAEHN CCN1CCC[C@@H](NC(=O)N[C@H](C)CN2CCN(C)CC2)C1 ZINC000247775197 287095249 /nfs/dbraw/zinc/09/52/49/287095249.db2.gz 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396099560 /nfs/dbraw/zinc/09/95/60/396099560.db2.gz AGSHSXRFGLGGIN-LBPRGKRZSA-N 0 3 300.362 0.779 10 0 DCAEHN NC(=O)c1cc([C@H]2CCCN(Cc3cnc(N)s3)C2)n[nH]1 ZINC000262123887 396101470 /nfs/dbraw/zinc/10/14/70/396101470.db2.gz XOQWJPCYYRJVPJ-QMMMGPOBSA-N 0 3 306.395 0.927 10 0 DCAEHN NS(=O)(=O)c1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171807433 396125587 /nfs/dbraw/zinc/12/55/87/396125587.db2.gz YOKPNBQGNGKLGB-GFCCVEGCSA-N 0 3 324.406 0.646 10 0 DCAEHN Cc1ccc(C(=O)NCCNC(=O)C2(N)CCOCC2)cc1 ZINC000262355220 396129731 /nfs/dbraw/zinc/12/97/31/396129731.db2.gz VQTBCILZNGOSLU-UHFFFAOYSA-N 0 3 305.378 0.349 10 0 DCAEHN N[C@@H](C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)C1CCOCC1 ZINC000261871381 396074469 /nfs/dbraw/zinc/07/44/69/396074469.db2.gz TUDKENKCTOHTPZ-CZUORRHYSA-N 0 3 317.389 0.662 10 0 DCAEHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](N)C1CCOCC1 ZINC000261892533 396076742 /nfs/dbraw/zinc/07/67/42/396076742.db2.gz VQGRNERGRFJVGS-ZUZCIYMTSA-N 0 3 308.426 0.838 10 0 DCAEHN 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/nfs/dbraw/zinc/57/96/59/535579659.db2.gz FGPXSZPLPOXPNP-NEPJUHHUSA-N 0 3 309.414 0.997 10 0 DCAEHN CN1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4n3)[C@@H]2C1 ZINC000285736888 536468836 /nfs/dbraw/zinc/46/88/36/536468836.db2.gz KUFZXKNWFAZFPK-CABCVRRESA-N 0 3 314.389 0.808 10 0 DCAEHN C[C@@](N)(CCn1cc(I)cn1)C(N)=O ZINC000070678543 545661682 /nfs/dbraw/zinc/66/16/82/545661682.db2.gz RQSRZJJWPPYQDJ-MRVPVSSYSA-N 0 3 308.123 0.081 10 0 DCAEHN OCC(CO)NC[C@@H](O)COc1c(Cl)cccc1Cl ZINC000087753020 545710450 /nfs/dbraw/zinc/71/04/50/545710450.db2.gz XCLGODGRRXJDOC-SECBINFHSA-N 0 3 310.177 0.676 10 0 DCAEHN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCNCC1)C2=O ZINC000236623279 545952115 /nfs/dbraw/zinc/95/21/15/545952115.db2.gz YIQYOKZWLJKJDC-UHFFFAOYSA-N 0 3 322.409 0.309 10 0 DCAEHN CN1C2(CCN(C(=O)OC(C)(C)C)CC2)[C@H](N)CS1(=O)=O ZINC000725256323 548748834 /nfs/dbraw/zinc/74/88/34/548748834.db2.gz DWSRYTFWQRCYNP-SNVBAGLBSA-N 0 3 319.427 0.359 10 0 DCAEHN CCCn1cc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cn1 ZINC000177971887 658836493 /nfs/dbraw/zinc/83/64/93/658836493.db2.gz CFIAYUABZQNOKY-ZDUSSCGKSA-N 0 3 305.382 0.538 10 0 DCAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N1CCO[C@H](C)C1 ZINC000178309145 659461962 /nfs/dbraw/zinc/46/19/62/659461962.db2.gz DGIGRTCKXKADAG-HIFRSBDPSA-N 0 3 306.410 0.903 10 0 DCAEHN CC(=O)N1Cc2cccnc2[C@H](C(=O)NCCN2CCCC2)C1 ZINC000222660573 664385470 /nfs/dbraw/zinc/38/54/70/664385470.db2.gz CZDWNTHDIWWGDZ-OAHLLOKOSA-N 0 3 316.405 0.739 10 0 DCAEHN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000222660518 664385674 /nfs/dbraw/zinc/38/56/74/664385674.db2.gz CZDWNTHDIWWGDZ-HNNXBMFYSA-N 0 3 316.405 0.739 10 0 DCAEHN O=S(=O)(NCC(C1CCC1)C1CCC1)N1CCNCC1 ZINC000704451016 667220935 /nfs/dbraw/zinc/22/09/35/667220935.db2.gz DCMHIGUDZGWZEI-UHFFFAOYSA-N 0 3 301.456 0.942 10 0 DCAEHN COCC(=O)N(C)CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000124333663 667961316 /nfs/dbraw/zinc/96/13/16/667961316.db2.gz GWYOAEVFVLKQST-OAHLLOKOSA-N 0 3 320.389 0.909 10 0 DCAEHN COCC(=O)N(C)CC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000127751551 669035031 /nfs/dbraw/zinc/03/50/31/669035031.db2.gz GWYOAEVFVLKQST-HNNXBMFYSA-N 0 3 320.389 0.909 10 0 DCAEHN CN(C)C[C@H]1CN(C(=O)c2ccn(CC(F)F)n2)CCO1 ZINC000194140674 670406020 /nfs/dbraw/zinc/40/60/20/670406020.db2.gz KGCZJXRVAVIVGR-JTQLQIEISA-N 0 3 302.325 0.551 10 0 DCAEHN C[C@@H](NCC1(C)OCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000180214958 685151593 /nfs/dbraw/zinc/15/15/93/685151593.db2.gz GJUZDEGUAAPRAM-SNVBAGLBSA-N 0 3 300.380 0.748 10 0 DCAEHN CCN(CCO)CCNC(=O)N[C@@H](c1nc(C)no1)C(C)C ZINC000187271422 1187472972 /nfs/dbraw/zinc/47/29/72/1187472972.db2.gz VOIPTTPBNUEVHD-GFCCVEGCSA-N 0 3 313.402 0.689 10 0 DCAEHN