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Nc1ccc(CN2C[C@@H]3CCC[C@H]32)cn1 ZINC000706829175 712156721 /nfs/dbraw/zinc/15/67/21/712156721.db2.gz SDCMZLVBPXONOR-WDEREUQCSA-N 0 3 203.289 1.648 10 0 BDAEHN CCN1CC[C@@H](N[C@H](C)c2ccns2)C1 ZINC000715993341 712551338 /nfs/dbraw/zinc/55/13/38/712551338.db2.gz JVQKCOMVYQIYAH-NXEZZACHSA-N 0 3 225.361 1.888 10 0 BDAEHN Cc1ccc([C@H](C)NC[C@H](O)[C@H](C)O)cc1F ZINC000717395968 712654106 /nfs/dbraw/zinc/65/41/06/712654106.db2.gz MYCYXXYNSFJSON-KWBADKCTSA-N 0 3 241.306 1.526 10 0 BDAEHN Cc1cc(C)nc(CNC(C)(C)CO)c1 ZINC000723609006 711525420 /nfs/dbraw/zinc/52/54/20/711525420.db2.gz XDDVAIZLDYPRPX-UHFFFAOYSA-N 0 3 208.305 1.559 10 0 BDAEHN Cc1cc(C)nc(CN2C[C@@H](C)C[C@H](O)C2)c1 ZINC000723878038 711542331 /nfs/dbraw/zinc/54/23/31/711542331.db2.gz CHMJVQUTYJWKOC-FZMZJTMJSA-N 0 3 234.343 1.901 10 0 BDAEHN CCN1CCC[C@@H](NC(=S)NCC(C)C)C1 ZINC000136152034 711688046 /nfs/dbraw/zinc/68/80/46/711688046.db2.gz ICHYKSUNARDKOC-LLVKDONJSA-N 0 3 243.420 1.591 10 0 BDAEHN Nc1ccncc1-c1cn2c(n1)CCCC2 ZINC000706150633 712140698 /nfs/dbraw/zinc/14/06/98/712140698.db2.gz GDZNZJOWGYLUEI-UHFFFAOYSA-N 0 3 214.272 1.694 10 0 BDAEHN C[C@@H](NCC[C@@H]1CCCO1)c1cn(C)cn1 ZINC000710011219 712240164 /nfs/dbraw/zinc/24/01/64/712240164.db2.gz FBVGHXWFKADEPI-MNOVXSKESA-N 0 3 223.320 1.640 10 0 BDAEHN Cc1ccc([C@H](C)NCCn2cnnn2)cc1F ZINC000712603921 712436832 /nfs/dbraw/zinc/43/68/32/712436832.db2.gz HLAWGEXUCATPPP-JTQLQIEISA-N 0 3 249.293 1.471 10 0 BDAEHN CCC[C@H](N)C(=O)N1CCCCCCC1 ZINC000036873052 712506614 /nfs/dbraw/zinc/50/66/14/712506614.db2.gz SUJGNVWFYAVBAR-NSHDSACASA-N 0 3 212.337 1.907 10 0 BDAEHN CC(C)C[C@@H](N)C(=O)NCC[C@H]1CCCS1 ZINC000715897525 712541366 /nfs/dbraw/zinc/54/13/66/712541366.db2.gz ZCRCPEQYTDPPCR-GHMZBOCLSA-N 0 3 244.404 1.762 10 0 BDAEHN CCN1CC[C@H](N[C@@H](C)c2ccns2)C1 ZINC000715993343 712551298 /nfs/dbraw/zinc/55/12/98/712551298.db2.gz JVQKCOMVYQIYAH-UWVGGRQHSA-N 0 3 225.361 1.888 10 0 BDAEHN CC(C)C1(O)CN(C[C@H](O)C(C)(C)C)C1 ZINC000379901458 712622090 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538952145 /nfs/dbraw/zinc/95/21/45/538952145.db2.gz CZJGGTQRPDTPHV-VXGBXAGGSA-N 0 3 238.331 1.651 10 0 BDAEHN CCC(CC)N(CCO)C(=O)[C@H]1CCCCN1 ZINC000042526155 168374881 /nfs/dbraw/zinc/37/48/81/168374881.db2.gz SIALZYGDHMPPRS-GFCCVEGCSA-N 0 3 242.363 1.138 10 0 BDAEHN Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000113468461 178397263 /nfs/dbraw/zinc/39/72/63/178397263.db2.gz LYNGQUPZKYWAQN-JTQLQIEISA-N 0 3 238.356 1.833 10 0 BDAEHN CC(C)(C)n1cc(CN[C@@H]2C[C@H]2CO)cn1 ZINC000378778765 346830702 /nfs/dbraw/zinc/83/07/02/346830702.db2.gz IQXKXIISVNGLPA-WDEREUQCSA-N 0 3 223.320 1.109 10 0 BDAEHN Cc1cnn(CCN[C@H](C)c2c[nH]nc2C)c1 ZINC000180801217 538958983 /nfs/dbraw/zinc/95/89/83/538958983.db2.gz NDKCHOYUHJYLLW-SNVBAGLBSA-N 0 3 233.319 1.574 10 0 BDAEHN CCC(CC)NC(=O)[C@@H]1CCC[C@H](C)N1 ZINC000019432812 168382585 /nfs/dbraw/zinc/38/25/85/168382585.db2.gz CCVBMAMWBBDXHC-ONGXEEELSA-N 0 3 212.337 1.822 10 0 BDAEHN COc1cccc([C@@H](CO)NC(C)C)c1 ZINC000038115764 538965074 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206.289 1.345 10 0 BDAEHN CN1CCC[C@@]2(CC1)NCCc1occc12 ZINC000709974861 539027951 /nfs/dbraw/zinc/02/79/51/539027951.db2.gz FYTDNAMVLGKSRS-ZDUSSCGKSA-N 0 3 220.316 1.736 10 0 BDAEHN CC[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007722 398298788 /nfs/dbraw/zinc/29/87/88/398298788.db2.gz OOXKAWJKQWDZKH-CPCISQLKSA-N 0 3 242.269 1.879 10 0 BDAEHN C[C@]1(NC(N)N=O)CCN(Cc2ccccc2)C1 ZINC000406093606 342848727 /nfs/dbraw/zinc/84/87/27/342848727.db2.gz DMKYFXGVIQQJSS-ZDUSSCGKSA-N 0 3 248.330 1.154 10 0 BDAEHN OC[C@@H]1C[C@H]1NCc1sccc1Cl ZINC000308399500 346868657 /nfs/dbraw/zinc/86/86/57/346868657.db2.gz HGYCIJLKYPWARB-POYBYMJQSA-N 0 3 217.721 1.872 10 0 BDAEHN C[C@@H]1CC[C@]2(CO1)NC(C)(C)CS2 ZINC000401664930 342896950 /nfs/dbraw/zinc/89/69/50/342896950.db2.gz NQKUYODWAXOAQR-SCZZXKLOSA-N 0 3 201.335 1.997 10 0 BDAEHN C[C@H]1CNC[C@@](F)(c2cscn2)C1 ZINC000401710947 342913619 /nfs/dbraw/zinc/91/36/19/342913619.db2.gz HYYWRHAFKBPBAN-VXNVDRBHSA-N 0 3 200.282 1.937 10 0 BDAEHN 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C[C@@H]1C[C@H](N[C@@H]2CCCn3ncnc32)[C@H]1C ZINC000309747774 384576585 /nfs/dbraw/zinc/57/65/85/384576585.db2.gz GBLKUPUFLMRUAQ-YTWAJWBKSA-N 0 3 220.320 1.747 10 0 BDAEHN CC[C@@H]1CN(CCSC)CCN1CCOC ZINC000171630764 384617422 /nfs/dbraw/zinc/61/74/22/384617422.db2.gz NAWGFYRCIZIUKL-GFCCVEGCSA-N 0 3 246.420 1.392 10 0 BDAEHN CCc1ccc(CNCC2CC(O)C2)o1 ZINC000084446742 384624919 /nfs/dbraw/zinc/62/49/19/384624919.db2.gz PIJFWEIULBVQQN-UHFFFAOYSA-N 0 3 209.289 1.703 10 0 BDAEHN CCCOc1ccccc1CNCCO ZINC000020924330 384641750 /nfs/dbraw/zinc/64/17/50/384641750.db2.gz OIMSNGHURQDOSK-UHFFFAOYSA-N 0 3 209.289 1.557 10 0 BDAEHN Cc1ccc(CN2CCC[C@H](O)[C@H]2C)cn1 ZINC000335363289 384701026 /nfs/dbraw/zinc/70/10/26/384701026.db2.gz PVBXSNVMODNUPE-YPMHNXCESA-N 0 3 220.316 1.735 10 0 BDAEHN Cc1c[nH]nc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000309901952 384702701 /nfs/dbraw/zinc/70/27/01/384702701.db2.gz IEDHFMJYSKNFSK-CMPLNLGQSA-N 0 3 221.304 1.375 10 0 BDAEHN COc1ccccc1NC(=O)C1(N)CC1 ZINC000083833779 384772397 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10 0 BDAEHN CNC(=O)[C@H](NC/C=C/Cl)C(C)C ZINC000183684103 643155293 /nfs/dbraw/zinc/15/52/93/643155293.db2.gz WVIWELJVYCMNPU-WTSVBCDHSA-N 0 3 204.701 1.099 10 0 BDAEHN C[C@@H]1C[C@H](N)C[NH2+][C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757211024 643370958 /nfs/dbraw/zinc/37/09/58/643370958.db2.gz FLYGPQBPLKDKRY-ZHAHWJHGSA-N 0 3 234.299 1.383 10 0 BDAEHN COc1cc2c(c(OC)c1)[C@@H](N)[C@H](C)O2 ZINC000068875175 643433646 /nfs/dbraw/zinc/43/36/46/643433646.db2.gz LPYMPWNCZSNXQP-KGFZYKRKSA-N 0 3 209.245 1.485 10 0 BDAEHN CCN1CC[C@H](N[C@@H](C)c2cn(C)cn2)C1 ZINC000709951643 712234229 /nfs/dbraw/zinc/23/42/29/712234229.db2.gz ZLJZANWQXDHJOT-QWRGUYRKSA-N 0 3 222.336 1.165 10 0 BDAEHN COCC1CC(N[C@H](C)c2nccnc2C)C1 ZINC000713934969 712473658 /nfs/dbraw/zinc/47/36/58/712473658.db2.gz HRILXJGZSRFWRE-VOMCLLRMSA-N 0 3 235.331 1.861 10 0 BDAEHN CC(=O)[C@@H]1CCCN(Cc2[nH]ncc2C)C1 ZINC000715488130 712518268 /nfs/dbraw/zinc/51/82/68/712518268.db2.gz LWKOUWHYMJMZIQ-LLVKDONJSA-N 0 3 221.304 1.519 10 0 BDAEHN CCCCOC[C@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715399952 712516570 /nfs/dbraw/zinc/51/65/70/712516570.db2.gz GMYVAWWTMZTUFJ-MXWKQRLJSA-N 0 3 249.301 1.361 10 0 BDAEHN Cc1cnc(CN[C@H]2CO[C@H](C)C2)c(C)c1 ZINC000724021945 710736576 /nfs/dbraw/zinc/73/65/76/710736576.db2.gz HNGKGAXBRGHPPY-VXGBXAGGSA-N 0 3 220.316 1.965 10 0 BDAEHN C[C@@H](CN1CCO[C@H](CO)C1)CC(C)(C)C ZINC000709161732 712211027 /nfs/dbraw/zinc/21/10/27/712211027.db2.gz HLKSTASQVITBGF-NEPJUHHUSA-N 0 3 229.364 1.752 10 0 BDAEHN CCC[C@@H](N)C(=O)NCCC(C)(C)COC ZINC000718935412 712789060 /nfs/dbraw/zinc/78/90/60/712789060.db2.gz RCLHWGMZRGMXHS-SNVBAGLBSA-N 0 3 230.352 1.293 10 0 BDAEHN CCCc1nccnc1N[C@@H]1CCN(C)[C@@H]1C ZINC000719781733 712824971 /nfs/dbraw/zinc/82/49/71/712824971.db2.gz MWBMVAMFPLARCO-GHMZBOCLSA-N 0 3 234.347 1.934 10 0 BDAEHN CCC[C@H](C)CN[C@H](C)c1cn(C)nn1 ZINC000720573726 712852590 /nfs/dbraw/zinc/85/25/90/712852590.db2.gz GHZYSGKVTUZMQH-VHSXEESVSA-N 0 3 210.325 1.902 10 0 BDAEHN Cc1cc(CN2C[C@@H](C)C[C@H](O)C2)c(C)nn1 ZINC000720604910 712857935 /nfs/dbraw/zinc/85/79/35/712857935.db2.gz GZHCMJPFIIBYNX-ZANVPECISA-N 0 3 235.331 1.296 10 0 BDAEHN CC(C)(CC[N@@H+]1CC[C@@](C)(CN)C1)C(=O)[O-] ZINC000395615310 972812010 /nfs/dbraw/zinc/81/20/10/972812010.db2.gz OAUSKQVWRVFVRV-LBPRGKRZSA-N 0 3 228.336 1.158 10 0 BDAEHN CC(C)(CC[N@H+]1CC[C@@](C)(CN)C1)C(=O)[O-] ZINC000395615310 972812022 /nfs/dbraw/zinc/81/20/22/972812022.db2.gz OAUSKQVWRVFVRV-LBPRGKRZSA-N 0 3 228.336 1.158 10 0 BDAEHN CCCN1CCC(=O)[C@@]12CN1CCC2CC1 ZINC000685953970 538898715 /nfs/dbraw/zinc/89/87/15/538898715.db2.gz JWHPQYDKZVLEGI-ZDUSSCGKSA-N 0 3 222.332 1.136 10 0 BDAEHN CC(C)[C@@H]1CC[C@H](S(C)(=O)=O)[C@H](N)C1 ZINC000685954844 538899635 /nfs/dbraw/zinc/89/96/35/538899635.db2.gz QAYJRUWFMFVGTR-BBBLOLIVSA-N 0 3 219.350 1.183 10 0 BDAEHN CCCN1CCC2(CC1)C(=O)CCN2CC ZINC000685955450 538901331 /nfs/dbraw/zinc/90/13/31/538901331.db2.gz ZMVIJJOQKMAWCS-UHFFFAOYSA-N 0 3 224.348 1.526 10 0 BDAEHN c1nnc([C@@H]2CCCN(CC3=CCCOC3)C2)[nH]1 ZINC000408073712 136210028 /nfs/dbraw/zinc/21/00/28/136210028.db2.gz RKUNKWDZZOEFQK-GFCCVEGCSA-N 0 3 248.330 1.331 10 0 BDAEHN OCCN1CCC[C@H](c2ccc(F)cc2)C1 ZINC000616617768 398183642 /nfs/dbraw/zinc/18/36/42/398183642.db2.gz JSZAFUOKFLAPKU-LBPRGKRZSA-N 0 3 223.291 1.997 10 0 BDAEHN Cc1cc(F)ccc1CCNC1COC1 ZINC000087597451 178084271 /nfs/dbraw/zinc/08/42/71/178084271.db2.gz TYDOVASTBVZBBF-UHFFFAOYSA-N 0 3 209.264 1.665 10 0 BDAEHN Cc1cc(N)ccc1C(=O)NCCN1CCCC1 ZINC000054110512 178105401 /nfs/dbraw/zinc/10/54/01/178105401.db2.gz BYZRDJKMLQEYHK-UHFFFAOYSA-N 0 3 247.342 1.403 10 0 BDAEHN CCn1nccc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000162685330 538924395 /nfs/dbraw/zinc/92/43/95/538924395.db2.gz NYWQLZCEOBXYFV-ZYHUDNBSSA-N 0 3 223.320 1.296 10 0 BDAEHN Cc1cc([N-]C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000019506783 178146466 /nfs/dbraw/zinc/14/64/66/178146466.db2.gz QQSLUWRPJPYHTI-VWYCJHECSA-N 0 3 249.314 1.842 10 0 BDAEHN NC[C@H]1CN(c2ccccc2F)C(=O)O1 ZINC000019669088 538927010 /nfs/dbraw/zinc/92/70/10/538927010.db2.gz WUCGTHVMDSEFIY-ZETCQYMHSA-N 0 3 210.208 1.110 10 0 BDAEHN Cc1cc(NC(=O)[C@H]2CCCCN2)no1 ZINC000019408467 178148151 /nfs/dbraw/zinc/14/81/51/178148151.db2.gz NCLYJEXKMWSBJR-MRVPVSSYSA-N 0 3 209.249 1.064 10 0 BDAEHN Cc1cc(NC(=O)[C@H](N)C(C)(C)C)no1 ZINC000077488022 178148290 /nfs/dbraw/zinc/14/82/90/178148290.db2.gz VJVQZWIAGINYOZ-QMMMGPOBSA-N 0 3 211.265 1.295 10 0 BDAEHN Cc1cc2ncnn2c(NCCN2CCCC2)c1 ZINC000049933866 178161274 /nfs/dbraw/zinc/16/12/74/178161274.db2.gz MJURTSMMANIZHN-UHFFFAOYSA-N 0 3 245.330 1.545 10 0 BDAEHN CCC[C@@H](C(=O)N(C)C[C@@H]1CCCO1)N(C)C ZINC000161947246 349519867 /nfs/dbraw/zinc/51/98/67/349519867.db2.gz QGRPRGYATNCODX-RYUDHWBXSA-N 0 3 242.363 1.354 10 0 BDAEHN Cc1cc(Sc2cc(CN)ccn2)n(C)n1 ZINC000052310418 178219401 /nfs/dbraw/zinc/21/94/01/178219401.db2.gz JZLODZDLIPBJEU-UHFFFAOYSA-N 0 3 234.328 1.733 10 0 BDAEHN Cc1cc(Sc2ccnc(CN)c2)n(C)n1 ZINC000061812388 178219766 /nfs/dbraw/zinc/21/97/66/178219766.db2.gz OTKCBSWQFLFTBZ-UHFFFAOYSA-N 0 3 234.328 1.733 10 0 BDAEHN C[C@H](CO)Nc1cc(Cl)ccc1CN ZINC000070821536 361774431 /nfs/dbraw/zinc/77/44/31/361774431.db2.gz CUDPJYUFLPVYHE-SSDOTTSWSA-N 0 3 214.696 1.591 10 0 BDAEHN Cc1cc([C@@H](N)CO)ccc1Br ZINC000072198655 178237457 /nfs/dbraw/zinc/23/74/57/178237457.db2.gz PKEVZSCQCTWTLB-VIFPVBQESA-N 0 3 230.105 1.750 10 0 BDAEHN Cc1cc2c(cc1C)[S@](=O)CC[C@H]2N ZINC000040975008 178288005 /nfs/dbraw/zinc/28/80/05/178288005.db2.gz CMAJMYNFEVJZJH-YGRLFVJLSA-N 0 3 209.314 1.815 10 0 BDAEHN Cc1cc2ccccc2c(=O)n1CCN ZINC000072416141 178297322 /nfs/dbraw/zinc/29/73/22/178297322.db2.gz LYVIBSBXSJEOQM-UHFFFAOYSA-N 0 3 202.257 1.269 10 0 BDAEHN COC(=O)c1ccc([C@@H]2CCCCN2)nc1 ZINC000258971260 349535943 /nfs/dbraw/zinc/53/59/43/349535943.db2.gz UQQQQEVBXOLLQY-JTQLQIEISA-N 0 3 220.272 1.683 10 0 BDAEHN Cc1ccc(-c2cc(N3CCNCC3)n[nH]2)o1 ZINC000062669936 178322099 /nfs/dbraw/zinc/32/20/99/178322099.db2.gz JSBHDKPKLLATDF-UHFFFAOYSA-N 0 3 232.287 1.388 10 0 BDAEHN Cc1ccc(-c2nc(CC[NH3+])cc(=O)[n-]2)cc1 ZINC000058055682 178334362 /nfs/dbraw/zinc/33/43/62/178334362.db2.gz AQDGGTNYYVLETA-UHFFFAOYSA-N 0 3 229.283 1.247 10 0 BDAEHN CCC[C@@H]1C[C@H]1NC(=O)[C@H]1NCC1(C)C ZINC000381812147 398273334 /nfs/dbraw/zinc/27/33/34/398273334.db2.gz HYAXQLTXHPBIMX-OPRDCNLKSA-N 0 3 210.321 1.289 10 0 BDAEHN Cc1c[nH]nc1CN[C@H]1CCC[C@@H](O)C1 ZINC000378677879 538973277 /nfs/dbraw/zinc/97/32/77/538973277.db2.gz RLAUFLBPXCCDLA-VHSXEESVSA-N 0 3 209.293 1.111 10 0 BDAEHN O[C@@H]1COCC[C@@H]1Nc1ccnc2ccccc21 ZINC000624688981 342820484 /nfs/dbraw/zinc/82/04/84/342820484.db2.gz YUBVUFSHLJFFPP-UONOGXRCSA-N 0 3 244.294 1.218 10 0 BDAEHN N[C@H]1CCN(C2CC2)[C@H]1c1cscn1 ZINC000126935882 342806140 /nfs/dbraw/zinc/80/61/40/342806140.db2.gz DFDKHYNCLZMCBG-WCBMZHEXSA-N 0 3 209.318 1.380 10 0 BDAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)[C@@H](C)C1CC1 ZINC000036785818 398291898 /nfs/dbraw/zinc/29/18/98/398291898.db2.gz WTUOCCGTXVQYAC-ATZCPNFKSA-N 0 3 212.337 1.617 10 0 BDAEHN O=c1cc([C@H]2CCC[NH2+]2)nc(C2CC2)[n-]1 ZINC000107241965 539021084 /nfs/dbraw/zinc/02/10/84/539021084.db2.gz QAWHTULPLGQUIB-MRVPVSSYSA-N 0 3 205.261 1.484 10 0 BDAEHN CCN1C[C@@H](C)[C@@H](Nc2ncc(C)cn2)C1 ZINC000390654009 539026891 /nfs/dbraw/zinc/02/68/91/539026891.db2.gz QBHUNAGZCKTGEW-MNOVXSKESA-N 0 3 220.320 1.537 10 0 BDAEHN C[C@]1([C@H]2CCOC2)NCCc2occc21 ZINC000709938922 539027675 /nfs/dbraw/zinc/02/76/75/539027675.db2.gz PEBBNWNPSQQIAF-JOYOIKCWSA-N 0 3 207.273 1.677 10 0 BDAEHN C[C@H](CC(N)=S)N1CCOCC1(C)C ZINC000042462147 362001717 /nfs/dbraw/zinc/00/17/17/362001717.db2.gz JCKFVIZVUBFTSX-MRVPVSSYSA-N 0 3 216.350 1.162 10 0 BDAEHN C[C@H]1CNC[C@@](O)(C(F)(F)Br)C1 ZINC000401641026 342865238 /nfs/dbraw/zinc/86/52/38/342865238.db2.gz HQVKRHVIPRXYBV-PHDIDXHHSA-N 0 3 244.079 1.335 10 0 BDAEHN COC[C@H](C)NC1=N[C@@H](C)C[C@H](C)S1 ZINC000164950470 342860480 /nfs/dbraw/zinc/86/04/80/342860480.db2.gz WADSLHGWFFDWPW-CIUDSAMLSA-N 0 3 216.350 1.881 10 0 BDAEHN C[C@@H]1OCC[C@@H]1N(C)[C@@H]1CCCC(=O)C1 ZINC000134731867 342880023 /nfs/dbraw/zinc/88/00/23/342880023.db2.gz NXLIHPOEHGGNNZ-UMNHJUIQSA-N 0 3 211.305 1.607 10 0 BDAEHN CC(C)C[C@H](N)C(=O)NCC[C@@H]1CCCO1 ZINC000038096901 398336049 /nfs/dbraw/zinc/33/60/49/398336049.db2.gz ZMAJQPGSNRPZCP-QWRGUYRKSA-N 0 3 228.336 1.045 10 0 BDAEHN CCC[C@@](C)(N)C(=O)NCC[C@@H]1CCCO1 ZINC000038097130 398336199 /nfs/dbraw/zinc/33/61/99/398336199.db2.gz BPYXSUFQJODCLV-CMPLNLGQSA-N 0 3 228.336 1.189 10 0 BDAEHN CC(C)[C@H](C)CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000262835404 534929873 /nfs/dbraw/zinc/92/98/73/534929873.db2.gz WEJAFPRRMUCQKH-IJLUTSLNSA-N 0 3 226.364 1.877 10 0 BDAEHN COc1ccc(CN[C@@H]2C[C@H]2CO)cc1F ZINC000309842304 259343929 /nfs/dbraw/zinc/34/39/29/259343929.db2.gz DVYDEMXMDNKFRD-GXSJLCMTSA-N 0 3 225.263 1.305 10 0 BDAEHN Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c([O-])c1 ZINC000235634153 343054943 /nfs/dbraw/zinc/05/49/43/343054943.db2.gz DQZYYVMUWOMQSX-ONGXEEELSA-N 0 3 234.299 1.120 10 0 BDAEHN CCOc1ccccc1NC(=O)[C@@H](C)NC ZINC000048775731 343059122 /nfs/dbraw/zinc/05/91/22/343059122.db2.gz KVBKALUFORQGPE-SECBINFHSA-N 0 3 222.288 1.632 10 0 BDAEHN CC[C@@H](NC(=O)[C@H](C)NC)c1ccccc1 ZINC000054076944 343074041 /nfs/dbraw/zinc/07/40/41/343074041.db2.gz BNMXULVNWORCMB-CMPLNLGQSA-N 0 3 220.316 1.862 10 0 BDAEHN NC[C@@H](N)c1cccc(C(F)(F)F)c1F ZINC000072201025 343069748 /nfs/dbraw/zinc/06/97/48/343069748.db2.gz IHHNLURTBDNCKE-SSDOTTSWSA-N 0 3 222.185 1.803 10 0 BDAEHN FC1(F)CCC2(CC1)NCCc1nc[nH]c12 ZINC000584883367 343086335 /nfs/dbraw/zinc/08/63/35/343086335.db2.gz REGCAGKQFWHDQZ-UHFFFAOYSA-N 0 3 227.258 1.960 10 0 BDAEHN CC[C@@H]1C=C(c2nc(C3CC3)no2)CNC1 ZINC000013887307 343106819 /nfs/dbraw/zinc/10/68/19/343106819.db2.gz XUKQJKVRQWIFNS-MRVPVSSYSA-N 0 3 219.288 1.960 10 0 BDAEHN N[C@@H]1COc2cccc(Br)c21 ZINC000238654388 259354095 /nfs/dbraw/zinc/35/40/95/259354095.db2.gz FDWXLXRSLLDBEX-ZCFIWIBFSA-N 0 3 214.062 1.841 10 0 BDAEHN COC1=CCc2[nH]c3c(c2C1)CCN[C@@H]3C ZINC000238394021 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C[C@@H](O)[C@@H](O)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000717421642 712657464 /nfs/dbraw/zinc/65/74/64/712657464.db2.gz NJJGCGCLMAAUEY-SXMVTHIZSA-N 0 3 245.269 1.357 10 0 BDAEHN CC(=O)[C@H]1CCCN(CCO[C@H]2CCOC2)C1 ZINC000724971954 710751872 /nfs/dbraw/zinc/75/18/72/710751872.db2.gz ACDPSEVKBMCIBO-STQMWFEESA-N 0 3 241.331 1.093 10 0 BDAEHN Cc1cc(C)nc(CN[C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000723660700 711532755 /nfs/dbraw/zinc/53/27/55/711532755.db2.gz SKZHNSHLYLDDQB-DGCLKSJQSA-N 0 3 247.342 1.455 10 0 BDAEHN CCCCNC(=S)N[C@@H]1CCCN(CC)C1 ZINC000136152271 711688032 /nfs/dbraw/zinc/68/80/32/711688032.db2.gz GXMDENUMCARXLO-LLVKDONJSA-N 0 3 243.420 1.735 10 0 BDAEHN CCC[C@H]1CCC[C@H]1NCc1cnn(C)n1 ZINC000310020464 711702216 /nfs/dbraw/zinc/70/22/16/711702216.db2.gz NAXDHGBNTKDNIL-CMPLNLGQSA-N 0 3 222.336 1.874 10 0 BDAEHN COCCN(CCF)C[C@H]1CCC[C@H](O)C1 ZINC000700393459 711991506 /nfs/dbraw/zinc/99/15/06/711991506.db2.gz VDVYZTZABVPTBZ-RYUDHWBXSA-N 0 3 233.327 1.455 10 0 BDAEHN OCC1CC(N[C@@H]2CCc3cccnc32)C1 ZINC000705156655 712123506 /nfs/dbraw/zinc/12/35/06/712123506.db2.gz SFKWUNPIILAURR-QEWOUOOISA-N 0 3 218.300 1.429 10 0 BDAEHN O=S1(=O)CC[C@@H]2CN([C@@H]3C=CCCC3)C[C@@H]21 ZINC000710014942 712240784 /nfs/dbraw/zinc/24/07/84/712240784.db2.gz SGGVXEIRZCRGPQ-UTUOFQBUSA-N 0 3 241.356 1.214 10 0 BDAEHN OC[C@H](NCCOC1CC1)c1ccccc1 ZINC000711785977 712329975 /nfs/dbraw/zinc/32/99/75/712329975.db2.gz MAFBRCCPTJOTOJ-ZDUSSCGKSA-N 0 3 221.300 1.489 10 0 BDAEHN Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)nc(N)n1 ZINC000378761286 712361048 /nfs/dbraw/zinc/36/10/48/712361048.db2.gz BAINTBHQIRLNMA-IVZWLZJFSA-N 0 3 218.304 1.220 10 0 BDAEHN COCC1CC(N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000713951660 712474566 /nfs/dbraw/zinc/47/45/66/712474566.db2.gz CWUGLFDRFYUYTA-HBIQZDMRSA-N 0 3 235.331 1.904 10 0 BDAEHN CCCn1cc(CN[C@H](C)C(C)C)nn1 ZINC000714436561 712486477 /nfs/dbraw/zinc/48/64/77/712486477.db2.gz KATOSZZXCAMGBQ-SNVBAGLBSA-N 0 3 210.325 1.822 10 0 BDAEHN C[C@@H]1OCC[C@H]1NCc1ccc(F)nc1 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236.290 1.582 10 0 BDAEHN Cc1cccc2nc([C@H]3CNCCO3)[nH]c21 ZINC000043705142 384297782 /nfs/dbraw/zinc/29/77/82/384297782.db2.gz DNTSDTSSSNWKSD-SNVBAGLBSA-N 0 3 217.272 1.532 10 0 BDAEHN O=C1CC2(CCN(Cc3ccccc3)CC2)N1 ZINC000095077833 384353391 /nfs/dbraw/zinc/35/33/91/384353391.db2.gz JBELPZDJIZVBSK-UHFFFAOYSA-N 0 3 230.311 1.541 10 0 BDAEHN Cc1ccc([S@](=O)C[C@@H]2CCCCN2)nn1 ZINC000095069118 384331557 /nfs/dbraw/zinc/33/15/57/384331557.db2.gz QTUMFXQIUJTWOZ-QFYYESIMSA-N 0 3 239.344 1.035 10 0 BDAEHN Cc1ccnc([S@@](=O)[C@H]2CCCNC2)c1 ZINC000095069211 384333067 /nfs/dbraw/zinc/33/30/67/384333067.db2.gz ZLNHEVXQVVSRJS-ZUZCIYMTSA-N 0 3 224.329 1.250 10 0 BDAEHN [NH3+]Cc1ccc(I)c([O-])c1 ZINC000095712446 384390302 /nfs/dbraw/zinc/39/03/02/384390302.db2.gz OQUUMADJUDKOCU-UHFFFAOYSA-N 0 3 249.051 1.456 10 0 BDAEHN C[C@]1(C(=O)N[C@H]2CC23CC3)CCCCN1 ZINC000335030839 384500863 /nfs/dbraw/zinc/50/08/63/384500863.db2.gz SUVOHANISSCJRM-GXSJLCMTSA-N 0 3 208.305 1.187 10 0 BDAEHN CCC[C@H](C(=O)NCc1nccs1)N(C)C ZINC000136286166 384489531 /nfs/dbraw/zinc/48/95/31/384489531.db2.gz KIBSIQNJGXFXIL-SECBINFHSA-N 0 3 241.360 1.490 10 0 BDAEHN CCCCNS(=O)(=O)c1cccc(CN)c1 ZINC000019392728 384519237 /nfs/dbraw/zinc/51/92/37/384519237.db2.gz KJBNLDRJWKVZDD-UHFFFAOYSA-N 0 3 242.344 1.224 10 0 BDAEHN NC[C@H](O)c1c(F)ccc(F)c1Cl ZINC000258257459 384553929 /nfs/dbraw/zinc/55/39/29/384553929.db2.gz YEAOZPBFNMGGSS-LURJTMIESA-N 0 3 207.607 1.610 10 0 BDAEHN CCC[C@H](N)C(=O)N1CCCC[C@@H](SC)C1 ZINC000236800301 384571066 /nfs/dbraw/zinc/57/10/66/384571066.db2.gz PBMSKFFTRPDCMI-MNOVXSKESA-N 0 3 244.404 1.858 10 0 BDAEHN Cc1ccoc1CN1CCN2CCC[C@@H]2C1 ZINC000271202320 384572795 /nfs/dbraw/zinc/57/27/95/384572795.db2.gz UQWPQPFJUHOIGJ-GFCCVEGCSA-N 0 3 220.316 1.868 10 0 BDAEHN COC(=O)c1nc([C@H]2CCCN2)sc1C ZINC000098210039 384605121 /nfs/dbraw/zinc/60/51/21/384605121.db2.gz RYRSPEAPFSAOAT-SSDOTTSWSA-N 0 3 226.301 1.663 10 0 BDAEHN NCc1cn(-c2cccc(Cl)c2)nn1 ZINC000050224101 384608984 /nfs/dbraw/zinc/60/89/84/384608984.db2.gz SLHKZKOHFRRJMV-UHFFFAOYSA-N 0 3 208.652 1.379 10 0 BDAEHN CC(C)c1cccc(-n2cc(CN)nn2)c1 ZINC000050224094 384609497 /nfs/dbraw/zinc/60/94/97/384609497.db2.gz KVWFAXRKVNGUTM-UHFFFAOYSA-N 0 3 216.288 1.849 10 0 BDAEHN COC[C@H](C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000103430304 384625118 /nfs/dbraw/zinc/62/51/18/384625118.db2.gz LFFUZUOFISWPML-RYUDHWBXSA-N 0 3 242.363 1.260 10 0 BDAEHN COC(=O)[C@H]1CNC[C@H](c2cccc(F)c2)C1 ZINC000082162826 384647082 /nfs/dbraw/zinc/64/70/82/384647082.db2.gz XUWCFBZWGOBXKW-GHMZBOCLSA-N 0 3 237.274 1.692 10 0 BDAEHN Cc1ccc2nc3n(c(=O)c2c1)CC[C@H]3N ZINC000100654298 384649356 /nfs/dbraw/zinc/64/93/56/384649356.db2.gz JLIOUVWAUXPQOJ-SECBINFHSA-N 0 3 215.256 1.108 10 0 BDAEHN NC[C@@H](N)c1cc2c(cc1Cl)OCO2 ZINC000044472614 384740951 /nfs/dbraw/zinc/74/09/51/384740951.db2.gz DJDIORMDEMZRNT-SSDOTTSWSA-N 0 3 214.652 1.027 10 0 BDAEHN CCC[C@@](C)(O)CNCc1cnn(C)c1C ZINC000126236845 384780224 /nfs/dbraw/zinc/78/02/24/384780224.db2.gz 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0 BDAEHN Cc1noc(C)c1CN1C[C@@H](C)C[C@H](O)C1 ZINC000334747698 384890444 /nfs/dbraw/zinc/89/04/44/384890444.db2.gz VMMSMKNOMGGTCL-KWQFWETISA-N 0 3 224.304 1.494 10 0 BDAEHN c1csc([C@H]2CN(C3CC3)CCN2)c1 ZINC000056894906 384921581 /nfs/dbraw/zinc/92/15/81/384921581.db2.gz ZYJHIMYDBNPLEH-SNVBAGLBSA-N 0 3 208.330 1.857 10 0 BDAEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccsc1 ZINC000085790248 384968182 /nfs/dbraw/zinc/96/81/82/384968182.db2.gz SKRUULCQRWTTAB-PWSUYJOCSA-N 0 3 240.372 1.729 10 0 BDAEHN CO[C@@H]1[C@H](C)[C@@H](NCCF)C12CCC2 ZINC000377061633 384975229 /nfs/dbraw/zinc/97/52/29/384975229.db2.gz MRTLTYXTTAYXEY-OPRDCNLKSA-N 0 3 201.285 1.749 10 0 BDAEHN CO[C@@H]1[C@@H](C)[C@@H](NCCF)C12CCC2 ZINC000377061630 384976012 /nfs/dbraw/zinc/97/60/12/384976012.db2.gz MRTLTYXTTAYXEY-IVZWLZJFSA-N 0 3 201.285 1.749 10 0 BDAEHN CCN(CCNC(=O)[C@H]1CC[C@H](C)O1)C1CC1 ZINC000152171554 384979538 /nfs/dbraw/zinc/97/95/38/384979538.db2.gz JHYXEAWAHCUMAU-CMPLNLGQSA-N 0 3 240.347 1.154 10 0 BDAEHN CC(C)(C)OCCn1cc(C(C)(C)N)nn1 ZINC000164519153 385005612 /nfs/dbraw/zinc/00/56/12/385005612.db2.gz BQMCWVRBKVYIKB-UHFFFAOYSA-N 0 3 226.324 1.287 10 0 BDAEHN CSc1cccc(-n2nncc2CN)c1 ZINC000062265630 385109388 /nfs/dbraw/zinc/10/93/88/385109388.db2.gz NXLKGSPGMYZKPU-UHFFFAOYSA-N 0 3 220.301 1.448 10 0 BDAEHN Cn1cc([C@H]2CCN(Cc3ccnn3C)C2)cn1 ZINC000130212888 385227917 /nfs/dbraw/zinc/22/79/17/385227917.db2.gz SFFJGSBVCFJXGY-NSHDSACASA-N 0 3 245.330 1.143 10 0 BDAEHN NCc1cn(Cc2cccc3ccccc32)nn1 ZINC000050224498 385310953 /nfs/dbraw/zinc/31/09/53/385310953.db2.gz OKAWMVAVQSHDAX-UHFFFAOYSA-N 0 3 238.294 1.938 10 0 BDAEHN C[C@@H]1C[C@@H]1NCc1cn2ccccc2n1 ZINC000052287852 385273010 /nfs/dbraw/zinc/27/30/10/385273010.db2.gz JIAVSFPCRREOMA-KOLCDFICSA-N 0 3 201.273 1.832 10 0 BDAEHN O=C(c1cscn1)N1CCN2CCC[C@@H]2C1 ZINC000062662238 385382910 /nfs/dbraw/zinc/38/29/10/385382910.db2.gz LDFNXKJTSZESGL-SECBINFHSA-N 0 3 237.328 1.063 10 0 BDAEHN C[C@@H](O)CCN1CCC[C@@H]1c1cnn(C)c1 ZINC000309072083 385403408 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/nfs/dbraw/zinc/45/40/12/385454012.db2.gz PPLLMHMCNJKFAM-MWLCHTKSSA-N 0 3 209.293 1.318 10 0 BDAEHN CCC[C@H](C)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000590517089 385489249 /nfs/dbraw/zinc/48/92/49/385489249.db2.gz RXGCEAUCRXFYMV-QWRGUYRKSA-N 0 3 227.352 1.521 10 0 BDAEHN c1cc2ccncc2c([C@H]2CNCCO2)c1 ZINC000258005626 385520273 /nfs/dbraw/zinc/52/02/73/385520273.db2.gz HSOJDDSUGNEAEQ-CYBMUJFWSA-N 0 3 214.268 1.896 10 0 BDAEHN CN[C@H](C)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000054075495 385594464 /nfs/dbraw/zinc/59/44/64/385594464.db2.gz SYGYPFXDANKVJM-ZJUUUORDSA-N 0 3 221.304 1.209 10 0 BDAEHN Cc1n[nH]c(C)c1CN[C@H]1CCC[C@H](O)C1 ZINC000037166219 385597160 /nfs/dbraw/zinc/59/71/60/385597160.db2.gz DVEVJIBGIXDYQG-QWRGUYRKSA-N 0 3 223.320 1.420 10 0 BDAEHN N[C@H]1COc2c(Cl)cc(Cl)cc2[C@H]1O ZINC000211939893 385701166 /nfs/dbraw/zinc/70/11/66/385701166.db2.gz UCGVHYJDMIEGIJ-JGVFFNPUSA-N 0 3 234.082 1.747 10 0 BDAEHN CCc1cccc(NC(=O)[C@@H](C)NC)c1 ZINC000052395638 385731542 /nfs/dbraw/zinc/73/15/42/385731542.db2.gz XAAIMJSUGDBJGI-SECBINFHSA-N 0 3 206.289 1.795 10 0 BDAEHN NCc1ccoc1Cn1cc(Cl)cn1 ZINC000052577168 385742414 /nfs/dbraw/zinc/74/24/14/385742414.db2.gz UAAKUSDUKUXVGF-UHFFFAOYSA-N 0 3 211.652 1.637 10 0 BDAEHN COC(=O)[C@H]1CNCC[C@H]1c1ccccc1OC ZINC000215991070 385857573 /nfs/dbraw/zinc/85/75/73/385857573.db2.gz BNGQVWYNCWYKLE-JQWIXIFHSA-N 0 3 249.310 1.561 10 0 BDAEHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC#N ZINC000307318011 385851275 /nfs/dbraw/zinc/85/12/75/385851275.db2.gz LNQVERYRRVKKQC-OCCSQVGLSA-N 0 3 229.327 1.968 10 0 BDAEHN Cc1nnsc1CNC[C@@H]1CCC[C@@H]1O ZINC000308905192 385909445 /nfs/dbraw/zinc/90/94/45/385909445.db2.gz LFZALJKODNVTPN-IUCAKERBSA-N 0 3 227.333 1.097 10 0 BDAEHN C[C@]1(C[C@H]2CCCO2)NCCCS1 ZINC000575530049 385862470 /nfs/dbraw/zinc/86/24/70/385862470.db2.gz AZMALKIIJFTJHZ-ZJUUUORDSA-N 0 3 201.335 1.998 10 0 BDAEHN Cc1nc([C@]2(N)CSC[C@@H]2C)cs1 ZINC000575561462 386017183 /nfs/dbraw/zinc/01/71/83/386017183.db2.gz 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BDAEHN CN1CCO[C@@H](c2ccc(N)cc2)CC1 ZINC000616593515 350581431 /nfs/dbraw/zinc/58/14/31/350581431.db2.gz KMZRYFNVHFOOEX-GFCCVEGCSA-N 0 3 206.289 1.662 10 0 BDAEHN CN1CCCOC[C@@H]1c1ccccc1CCO ZINC000616599804 350759987 /nfs/dbraw/zinc/75/99/87/350759987.db2.gz PTUQVXONXLMQKY-CQSZACIVSA-N 0 3 235.327 1.615 10 0 BDAEHN C[C@H](N)C(=O)Nc1cccnc1Br ZINC000235460912 350717418 /nfs/dbraw/zinc/71/74/18/350717418.db2.gz XCOYUOARGJUFRO-YFKPBYRVSA-N 0 3 244.092 1.130 10 0 BDAEHN CC(C)[C@H](C)[C@H](NCc1ccccc1)C(N)=O ZINC000306672682 350815989 /nfs/dbraw/zinc/81/59/89/350815989.db2.gz MHNXFGSOFGGXBB-AAEUAGOBSA-N 0 3 234.343 1.922 10 0 BDAEHN CCN1CCN[C@@H](c2cccc3nnccc32)C1 ZINC000616600306 350779796 /nfs/dbraw/zinc/77/97/96/350779796.db2.gz GWVVPEIGYIYMMU-CQSZACIVSA-N 0 3 242.326 1.596 10 0 BDAEHN CN1CCN[C@H](c2cccc3ccncc32)C1 ZINC000616604233 350792526 /nfs/dbraw/zinc/79/25/26/350792526.db2.gz WOAXATYXXQTDRO-AWEZNQCLSA-N 0 3 227.311 1.811 10 0 BDAEHN NC1=N[C@H](c2ccc(Cl)nc2)COC1 ZINC000306692503 350846281 /nfs/dbraw/zinc/84/62/81/350846281.db2.gz RQTBURVIDKJBFT-ZETCQYMHSA-N 0 3 211.652 1.164 10 0 BDAEHN CC1(C)[C@H](O)CCN1[C@@H]1CCCCC1=O ZINC000306675673 350827942 /nfs/dbraw/zinc/82/79/42/350827942.db2.gz TXPSBFAMABBGDK-MWLCHTKSSA-N 0 3 211.305 1.343 10 0 BDAEHN C[C@@H]1CC[C@@H]2NCC[C@H](C)[S@](=O)[C@H]2C1 ZINC000251924826 362987806 /nfs/dbraw/zinc/98/78/06/362987806.db2.gz UWEOLNAXXRPJKK-SEKJGCFDSA-N 0 3 215.362 1.674 10 0 BDAEHN C[C@@H]1SCC[C@@H]1Nc1cccc(N)n1 ZINC000306734926 350904205 /nfs/dbraw/zinc/90/42/05/350904205.db2.gz VJMFGDXXARCQMH-YUMQZZPRSA-N 0 3 209.318 1.970 10 0 BDAEHN CO[C@]1(C)CCN([C@@H]2CCCCC2=O)C1 ZINC000306734572 350904970 /nfs/dbraw/zinc/90/49/70/350904970.db2.gz UWBSEDXJTOYDSS-ZYHUDNBSSA-N 0 3 211.305 1.609 10 0 BDAEHN C[C@H](N)c1cnnn1Cc1ccccc1 ZINC000306720613 350879653 /nfs/dbraw/zinc/87/96/53/350879653.db2.gz CXICVHUPWXCJKR-VIFPVBQESA-N 0 3 202.261 1.346 10 0 BDAEHN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)COC ZINC000251248004 350893849 /nfs/dbraw/zinc/89/38/49/350893849.db2.gz BMAAABZZMAYNDY-HBNTYKKESA-N 0 3 230.352 1.304 10 0 BDAEHN C[C@@H]1C[C@H]1NCC(=O)NCc1ccccc1 ZINC000052287413 350978908 /nfs/dbraw/zinc/97/89/08/350978908.db2.gz PYJATDZWCKTVRI-ZYHUDNBSSA-N 0 3 218.300 1.301 10 0 BDAEHN C1OCC1N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000309686248 191128180 /nfs/dbraw/zinc/12/81/80/191128180.db2.gz OGDYHBDBYZZFGE-UTUOFQBUSA-N 0 3 223.316 1.323 10 0 BDAEHN CC(C)(C)N1CCN[C@@H](c2cccc(N)n2)C1 ZINC000616631812 351108734 /nfs/dbraw/zinc/10/87/34/351108734.db2.gz DWWRVZZDOHGLMA-LLVKDONJSA-N 0 3 234.347 1.409 10 0 BDAEHN CC(C)N1CCN[C@H](c2ccc(CCO)cc2)C1 ZINC000616632052 351110361 /nfs/dbraw/zinc/11/03/61/351110361.db2.gz FVZMDVQOAADCSW-HNNXBMFYSA-N 0 3 248.370 1.576 10 0 BDAEHN CCN1CCN[C@@H](c2ccc(NC)cc2)C1 ZINC000616632645 351112068 /nfs/dbraw/zinc/11/20/68/351112068.db2.gz UZKDSFFLUALKTR-CYBMUJFWSA-N 0 3 219.332 1.695 10 0 BDAEHN CNc1ccccc1[C@@H]1CN(C)CCN1 ZINC000616632672 351112762 /nfs/dbraw/zinc/11/27/62/351112762.db2.gz 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BDAEHN CC(C)(C)N1CCNC[C@H]1c1cc[nH]n1 ZINC000616636542 351126641 /nfs/dbraw/zinc/12/66/41/351126641.db2.gz DNPXSOGOUKJBJG-JTQLQIEISA-N 0 3 208.309 1.155 10 0 BDAEHN c1c[nH]c([C@@H]2CNCCN2Cc2ccccc2)n1 ZINC000616636567 351126804 /nfs/dbraw/zinc/12/68/04/351126804.db2.gz VBNATFONNRQBBQ-ZDUSSCGKSA-N 0 3 242.326 1.556 10 0 BDAEHN OCCN1CCCCC[C@H]1c1ccnnc1 ZINC000616625482 351093774 /nfs/dbraw/zinc/09/37/74/351093774.db2.gz OIBOZYQCCKUOFF-LBPRGKRZSA-N 0 3 221.304 1.386 10 0 BDAEHN CNc1ccc([C@@H]2COCCCN2)cc1 ZINC000616647180 351165142 /nfs/dbraw/zinc/16/51/42/351165142.db2.gz LPXJHAYWLCINRS-LBPRGKRZSA-N 0 3 206.289 1.779 10 0 BDAEHN c1cc2ccc([C@@H]3COCCCN3)cc2nn1 ZINC000616646024 351169383 /nfs/dbraw/zinc/16/93/83/351169383.db2.gz DHDKIHMGUSOOJV-ZDUSSCGKSA-N 0 3 229.283 1.681 10 0 BDAEHN OCc1ccccc1[C@@H]1COCCCN1 ZINC000616646157 351170378 /nfs/dbraw/zinc/17/03/78/351170378.db2.gz FTNLWZBVTWEQLA-LBPRGKRZSA-N 0 3 207.273 1.230 10 0 BDAEHN c1ccc2nnc([C@@H]3CNCCCO3)cc2c1 ZINC000616653311 351186229 /nfs/dbraw/zinc/18/62/29/351186229.db2.gz SALGGTKHNWGELI-ZDUSSCGKSA-N 0 3 229.283 1.681 10 0 BDAEHN CC(C)(C)N1CCNC[C@H]1c1ccncc1 ZINC000616637188 351133708 /nfs/dbraw/zinc/13/37/08/351133708.db2.gz IUNARTUDHSXYHB-LBPRGKRZSA-N 0 3 219.332 1.826 10 0 BDAEHN CC(C)(C)N1CCNC[C@@H]1c1ccncn1 ZINC000616637793 351134371 /nfs/dbraw/zinc/13/43/71/351134371.db2.gz RJLGATXNUKFWFW-LLVKDONJSA-N 0 3 220.320 1.221 10 0 BDAEHN CC(=O)Nc1cccc([C@@H]2CNCCN2C)c1 ZINC000616638529 351139987 /nfs/dbraw/zinc/13/99/87/351139987.db2.gz WVQMWSQOVMYRPJ-ZDUSSCGKSA-N 0 3 233.315 1.221 10 0 BDAEHN CN1CCO[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616684134 351255098 /nfs/dbraw/zinc/25/50/98/351255098.db2.gz DHLTVQPJKDQKHN-JTQLQIEISA-N 0 3 244.335 1.232 10 0 BDAEHN CN1CCOCC[C@H]1c1ccc(N)cc1 ZINC000616656839 351197151 /nfs/dbraw/zinc/19/71/51/351197151.db2.gz HZUSFWHTKDBGMG-LBPRGKRZSA-N 0 3 206.289 1.662 10 0 BDAEHN CN1CCOCC[C@H]1c1cccc(CO)c1 ZINC000616657029 351197566 /nfs/dbraw/zinc/19/75/66/351197566.db2.gz MBEPJDARCMXVNH-ZDUSSCGKSA-N 0 3 221.300 1.572 10 0 BDAEHN CN1CCOCC[C@H]1c1ccc(CCO)cc1 ZINC000616660411 351205172 /nfs/dbraw/zinc/20/51/72/351205172.db2.gz ZLAJTEVAQDZBKX-AWEZNQCLSA-N 0 3 235.327 1.615 10 0 BDAEHN CC(C)N1CCOC[C@@H](c2cccnn2)C1 ZINC000616659094 351206029 /nfs/dbraw/zinc/20/60/29/351206029.db2.gz BZTHZRLANZETCE-NSHDSACASA-N 0 3 221.304 1.301 10 0 BDAEHN CCOC(=O)c1ccc([C@H]2CCOCCN2)cc1 ZINC000616659704 351208011 /nfs/dbraw/zinc/20/80/11/351208011.db2.gz OCUIVCULGBHXHU-CYBMUJFWSA-N 0 3 249.310 1.914 10 0 BDAEHN CC(C)N1CCOC[C@@H](n2cccn2)C1 ZINC000616660009 351209003 /nfs/dbraw/zinc/20/90/03/351209003.db2.gz IQRRHWGXZPIHDG-NSHDSACASA-N 0 3 209.293 1.165 10 0 BDAEHN CC(C)N1CCOC[C@@H](c2ncccn2)C1 ZINC000616661423 351210082 /nfs/dbraw/zinc/21/00/82/351210082.db2.gz RYDVTTVRQNXQRY-NSHDSACASA-N 0 3 221.304 1.301 10 0 BDAEHN CCN1CCOC[C@@H](c2ccccn2)C1 ZINC000616660583 351212173 /nfs/dbraw/zinc/21/21/73/351212173.db2.gz KOADVTTUMDQKLI-NSHDSACASA-N 0 3 206.289 1.517 10 0 BDAEHN CN[C@H]1CCN(Cc2ccccc2)CCO1 ZINC000616663609 351216356 /nfs/dbraw/zinc/21/63/56/351216356.db2.gz UPSDNISMEHZCKC-CYBMUJFWSA-N 0 3 220.316 1.454 10 0 BDAEHN OC[C@H]1COCCN(Cc2ccccc2)C1 ZINC000616664200 351219236 /nfs/dbraw/zinc/21/92/36/351219236.db2.gz WYNGSQKLEVZWDY-ZDUSSCGKSA-N 0 3 221.300 1.127 10 0 BDAEHN CC(C)N1CC[C@H](N2CN=NC2=S)C1 ZINC000306881246 351279018 /nfs/dbraw/zinc/27/90/18/351279018.db2.gz LWBIJIBWRIEODX-QMMMGPOBSA-N 0 3 212.322 1.222 10 0 BDAEHN CCOCCCN[C@H](C)C(=O)NC1CCCC1 ZINC000034936832 351351331 /nfs/dbraw/zinc/35/13/31/351351331.db2.gz OAOQQHDDSHIZNW-LLVKDONJSA-N 0 3 242.363 1.450 10 0 BDAEHN CC(C)[C@@H]1[C@@H](C)NC[C@@H](C)C[S@@]1=O ZINC000307072002 351467085 /nfs/dbraw/zinc/46/70/85/351467085.db2.gz YBCDWKKAMROPCQ-PRFIWBCESA-N 0 3 203.351 1.388 10 0 BDAEHN CC(C)[C@@H]1[C@H](C)NC(C)(C)C[S@@]1=O ZINC000307056946 351456427 /nfs/dbraw/zinc/45/64/27/351456427.db2.gz DWZUVTVZBNDIRF-RWEMILLDSA-N 0 3 203.351 1.530 10 0 BDAEHN C[C@H]1[C@H](NC=O)CCN1Cc1ccccc1 ZINC000307153745 351506738 /nfs/dbraw/zinc/50/67/38/351506738.db2.gz KETKYSYPIZNJKR-WCQYABFASA-N 0 3 218.300 1.395 10 0 BDAEHN CC[C@H]1CS[C@]2(CCOC2(C)C)N1 ZINC000307168031 351537889 /nfs/dbraw/zinc/53/78/89/351537889.db2.gz TZHNHYNWGUDRFP-WPRPVWTQSA-N 0 3 201.335 1.997 10 0 BDAEHN CC(C)CC[C@H](N)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000637866893 351727229 /nfs/dbraw/zinc/72/72/29/351727229.db2.gz CZIWUQIKBOQPKG-SRVKXCTJSA-N 0 3 242.363 1.386 10 0 BDAEHN CNC(=O)C1CN([C@@H]2C=CCCCCC2)C1 ZINC000606432160 351743869 /nfs/dbraw/zinc/74/38/69/351743869.db2.gz GPIAKONCWHZDJK-GFCCVEGCSA-N 0 3 222.332 1.553 10 0 BDAEHN Brc1cnccc1C1=NCCCN1 ZINC000307317563 351991539 /nfs/dbraw/zinc/99/15/39/351991539.db2.gz OTJQWFCSWIXDCH-UHFFFAOYSA-N 0 3 240.104 1.584 10 0 BDAEHN CCn1nncc1[C@H](N)[C@H]1CCCS1 ZINC000300891168 363110333 /nfs/dbraw/zinc/11/03/33/363110333.db2.gz PSNGADOYJXSXSA-BDAKNGLRSA-N 0 3 212.322 1.193 10 0 BDAEHN COC(=O)C[C@@H](N)c1ccc2c(c1)CCO2 ZINC000037362369 363154911 /nfs/dbraw/zinc/15/49/11/363154911.db2.gz AENGTYPAYPZGMS-SNVBAGLBSA-N 0 3 221.256 1.184 10 0 BDAEHN CC(C)[C@H](C)C(=O)Nc1cccc(CN)n1 ZINC000725270607 538102518 /nfs/dbraw/zinc/10/25/18/538102518.db2.gz NLBNUULCAURDSA-VIFPVBQESA-N 0 3 221.304 1.771 10 0 BDAEHN CCN([C@H]1CCOC1)[C@H]1CCCC(=O)C1 ZINC000307355194 352324411 /nfs/dbraw/zinc/32/44/11/352324411.db2.gz UDNPGALJNJZFHB-QWRGUYRKSA-N 0 3 211.305 1.609 10 0 BDAEHN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCO[C@H]1C ZINC000252785376 538102832 /nfs/dbraw/zinc/10/28/32/538102832.db2.gz UUGUYCBDBXISJZ-OVYXKVPISA-N 0 3 209.293 1.546 10 0 BDAEHN Cc1ncccc1CNC(=O)[C@@]1(C)CCCCN1 ZINC000638600519 352432928 /nfs/dbraw/zinc/43/29/28/352432928.db2.gz AYHRXXRCAPMENZ-CQSZACIVSA-N 0 3 247.342 1.538 10 0 BDAEHN NCc1cc(SC2CCCC2)ncn1 ZINC000307415540 352589437 /nfs/dbraw/zinc/58/94/37/352589437.db2.gz KPZSDRQLJGGBBV-UHFFFAOYSA-N 0 3 209.318 1.970 10 0 BDAEHN C[C@]1(CO)CCN([C@H]2CCCCC2=O)C1 ZINC000307394913 352569207 /nfs/dbraw/zinc/56/92/07/352569207.db2.gz MVRANIGWPSQIQT-JQWIXIFHSA-N 0 3 211.305 1.202 10 0 BDAEHN CC1(C)CN([C@@H]2CCC(=O)C2)CC[C@@H]1O ZINC000307404496 352579632 /nfs/dbraw/zinc/57/96/32/352579632.db2.gz KYQIDCWBFWAEHE-KOLCDFICSA-N 0 3 211.305 1.201 10 0 BDAEHN CC(C)N1CC[C@@H](N)[C@H]1c1csnn1 ZINC000307614189 352672570 /nfs/dbraw/zinc/67/25/70/352672570.db2.gz OBSKDQXNMSFRLV-APPZFPTMSA-N 0 3 212.322 1.021 10 0 BDAEHN Cc1nc([C@H](N)C2CSC2)cs1 ZINC000405019397 352669187 /nfs/dbraw/zinc/66/91/87/352669187.db2.gz QPLKXGXGXAEKOP-MRVPVSSYSA-N 0 3 200.332 1.814 10 0 BDAEHN Cn1nc(-c2cccc(F)c2)c2c1CCNC2 ZINC000028014090 180799823 /nfs/dbraw/zinc/79/98/23/180799823.db2.gz OXHWPKOYIZENQK-UHFFFAOYSA-N 0 3 231.274 1.872 10 0 BDAEHN CC[C@@H](N)c1ncncc1Br ZINC000306460906 353016420 /nfs/dbraw/zinc/01/64/20/353016420.db2.gz IIVFYKUSPJCFCY-ZCFIWIBFSA-N 0 3 216.082 1.649 10 0 BDAEHN CCCN1CC[C@@]2(C1)N[C@H](C)CS2 ZINC000307146009 353058115 /nfs/dbraw/zinc/05/81/15/353058115.db2.gz GVMJGCYIHLHVIX-NXEZZACHSA-N 0 3 200.351 1.523 10 0 BDAEHN Cn1ncc(C[C@@H](N)c2ccsc2)n1 ZINC000307314930 353068327 /nfs/dbraw/zinc/06/83/27/353068327.db2.gz LNXDZQRKDXQKIJ-SECBINFHSA-N 0 3 208.290 1.119 10 0 BDAEHN C[C@H]1C[C@@H](NC=O)CCN1Cc1ccccc1 ZINC000307369004 353071189 /nfs/dbraw/zinc/07/11/89/353071189.db2.gz QPMIMVMZOWXRSY-JSGCOSHPSA-N 0 3 232.327 1.786 10 0 BDAEHN CNCC(=O)Nc1cc(Br)ccn1 ZINC000307718401 353109204 /nfs/dbraw/zinc/10/92/04/353109204.db2.gz PANJSMOAVLMUNA-UHFFFAOYSA-N 0 3 244.092 1.002 10 0 BDAEHN C[C@H]1CN=C(S[C@@H]2CCSC2)N1 ZINC000405251721 353151953 /nfs/dbraw/zinc/15/19/53/353151953.db2.gz KCKTUNMHTYRUMH-NKWVEPMBSA-N 0 3 202.348 1.573 10 0 BDAEHN CC(=O)C1(c2cccc(O)c2)CCN(C)CC1 ZINC000005196329 188277766 /nfs/dbraw/zinc/27/77/66/188277766.db2.gz RNAGZQQIHXIDQH-UHFFFAOYSA-N 0 3 233.311 1.945 10 0 BDAEHN Cc1cccc(S(=O)(=O)[C@H](C)CN)c1 ZINC000011896624 188279089 /nfs/dbraw/zinc/27/90/89/188279089.db2.gz PDWGRFFVBXHVEX-SECBINFHSA-N 0 3 213.302 1.116 10 0 BDAEHN CC(C)[C@H](N)C(=O)Nc1cccnc1Cl ZINC000037019957 188279541 /nfs/dbraw/zinc/27/95/41/188279541.db2.gz TWIINSRSNVWVTI-QMMMGPOBSA-N 0 3 227.695 1.657 10 0 BDAEHN Cc1nn(Cc2ccncc2)c(C)c1CN ZINC000036868353 188285748 /nfs/dbraw/zinc/28/57/48/188285748.db2.gz GTEPWQZUZPSYQM-UHFFFAOYSA-N 0 3 216.288 1.402 10 0 BDAEHN CC(C)(C)Oc1ccc([C@@H](N)CO)cc1 ZINC000071511779 188287710 /nfs/dbraw/zinc/28/77/10/188287710.db2.gz JJAQRBFLLOWZFU-NSHDSACASA-N 0 3 209.289 1.856 10 0 BDAEHN NCc1cccnc1N(CCO)C1CCCC1 ZINC000042482779 188294197 /nfs/dbraw/zinc/29/41/97/188294197.db2.gz DAOSAKXZUMOOCP-UHFFFAOYSA-N 0 3 235.331 1.282 10 0 BDAEHN C(NC1=NCCCS1)[C@@H]1CCCCO1 ZINC000042823869 188294579 /nfs/dbraw/zinc/29/45/79/188294579.db2.gz INTMIQIJZWOTEE-VIFPVBQESA-N 0 3 214.334 1.638 10 0 BDAEHN Cc1ccc(OCC(=O)NC2CC2)c(CN)c1 ZINC000071403424 188305720 /nfs/dbraw/zinc/30/57/20/188305720.db2.gz UTXVWVSALHFJIZ-UHFFFAOYSA-N 0 3 234.299 1.111 10 0 BDAEHN CCC[C@H](CC)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000103474126 188323799 /nfs/dbraw/zinc/32/37/99/188323799.db2.gz LVQBZTJJXKKYEP-WDEREUQCSA-N 0 3 240.347 1.691 10 0 BDAEHN CCc1ncc(CN)c(C(F)(F)F)n1 ZINC000082639686 188313584 /nfs/dbraw/zinc/31/35/84/188313584.db2.gz BFHGBIXKHPINBK-UHFFFAOYSA-N 0 3 205.183 1.517 10 0 BDAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CCOC1 ZINC000066942682 188355129 /nfs/dbraw/zinc/35/51/29/188355129.db2.gz XOSKCSZOIQJTRI-NWDGAFQWSA-N 0 3 242.363 1.115 10 0 BDAEHN C=Cn1cc(CNC[C@@H]2CCC[C@@H]2O)cn1 ZINC000236570961 188367162 /nfs/dbraw/zinc/36/71/62/188367162.db2.gz BCYGFGLHMFYMSJ-RYUDHWBXSA-N 0 3 221.304 1.234 10 0 BDAEHN Cc1c(CN[C@@H]2CCC[C@@H](O)C2)cnn1C ZINC000086551958 491063052 /nfs/dbraw/zinc/06/30/52/491063052.db2.gz LMAUSCQWYWDNPT-VXGBXAGGSA-N 0 3 223.320 1.122 10 0 BDAEHN CCN1CCC(Nc2nccnc2C(C)C)CC1 ZINC000413030560 191352310 /nfs/dbraw/zinc/35/23/10/191352310.db2.gz HTBNMPHYEFKVKG-UHFFFAOYSA-N 0 3 248.374 1.918 10 0 BDAEHN CC[C@H]1CS[C@@]2(CCCN(C)C2)N1 ZINC000134357994 355502199 /nfs/dbraw/zinc/50/21/99/355502199.db2.gz OXMURLAQNKIQIL-VHSXEESVSA-N 0 3 200.351 1.523 10 0 BDAEHN CN1CCC[C@@]2(C1)NC(C)(C)CS2 ZINC000134358046 355502915 /nfs/dbraw/zinc/50/29/15/355502915.db2.gz BWOLWHLSHROCIJ-SNVBAGLBSA-N 0 3 200.351 1.523 10 0 BDAEHN CCN1CC[C@H](N[C@H](C)c2cn(C)nc2C)C1 ZINC000389117270 355693743 /nfs/dbraw/zinc/69/37/43/355693743.db2.gz BLRVBKSXYXYJDO-PWSUYJOCSA-N 0 3 236.363 1.473 10 0 BDAEHN Cc1cc(CNC[C@@H]2CC(=O)N(C)C2)sn1 ZINC000639322890 355714494 /nfs/dbraw/zinc/71/44/94/355714494.db2.gz YYBLMJMZXQSVSZ-VIFPVBQESA-N 0 3 239.344 1.019 10 0 BDAEHN C#C[C@@H](C)N[C@@H]1CCc2ccc(O)cc21 ZINC000168456101 355834006 /nfs/dbraw/zinc/83/40/06/355834006.db2.gz LCJQGFYKNAUYMU-NOZJJQNGSA-N 0 3 201.269 1.991 10 0 BDAEHN CCN1CC[C@@H]([NH2+]Cc2nc(C)ccc2[O-])C1 ZINC000389195649 355837700 /nfs/dbraw/zinc/83/77/00/355837700.db2.gz XAXDBQRUOVBTGX-LLVKDONJSA-N 0 3 235.331 1.279 10 0 BDAEHN CCc1cc(N[C@H]2CCN(CC)C2)nc(C)n1 ZINC000389215372 355884191 /nfs/dbraw/zinc/88/41/91/355884191.db2.gz CRJCVDWDSRBPEK-LBPRGKRZSA-N 0 3 234.347 1.854 10 0 BDAEHN NC(=O)CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000025308603 181224558 /nfs/dbraw/zinc/22/45/58/181224558.db2.gz FVBLGAXYZIVZNP-LBPRGKRZSA-N 0 3 236.290 1.838 10 0 BDAEHN CCCn1cc(CN[C@H]2CCN(CC)C2)cn1 ZINC000389285760 355948772 /nfs/dbraw/zinc/94/87/72/355948772.db2.gz VYFGCZMJUQTHJR-ZDUSSCGKSA-N 0 3 236.363 1.477 10 0 BDAEHN NC(=O)CNCc1cccc2ccccc21 ZINC000058154075 181234989 /nfs/dbraw/zinc/23/49/89/181234989.db2.gz LAAKGNKYVYQOGC-UHFFFAOYSA-N 0 3 214.268 1.415 10 0 BDAEHN NC(=O)CN[C@H]1CCCc2ccccc21 ZINC000019515717 181236855 /nfs/dbraw/zinc/23/68/55/181236855.db2.gz FKGTWRBLUUSMLL-NSHDSACASA-N 0 3 204.273 1.139 10 0 BDAEHN NC(=O)CCNC1=NC[C@H](c2ccccc2)S1 ZINC000036747638 181225444 /nfs/dbraw/zinc/22/54/44/181225444.db2.gz NIAHJQBQKJKKDQ-SNVBAGLBSA-N 0 3 249.339 1.296 10 0 BDAEHN NC(=O)[C@@H](NC[C@@H]1CCCO1)C1CCCCC1 ZINC000037942950 181264591 /nfs/dbraw/zinc/26/45/91/181264591.db2.gz WHRYSALWTBRSAJ-RYUDHWBXSA-N 0 3 240.347 1.189 10 0 BDAEHN NC(=O)[C@@]1(N)CCc2cccc(Cl)c2C1 ZINC000038435884 181275139 /nfs/dbraw/zinc/27/51/39/181275139.db2.gz LXWLBLVBZVLAJV-LLVKDONJSA-N 0 3 224.691 1.012 10 0 BDAEHN CCC[C@]1(CNC(=O)C(C)(C)C)CNCCO1 ZINC000675059323 538483462 /nfs/dbraw/zinc/48/34/62/538483462.db2.gz ODVCCPKFQKJOQI-CYBMUJFWSA-N 0 3 242.363 1.307 10 0 BDAEHN CCC[C@@H](C)C(=O)NC[C@]1(CC)CNCCO1 ZINC000675059667 538485458 /nfs/dbraw/zinc/48/54/58/538485458.db2.gz TWYHIRRZJNKGPM-YPMHNXCESA-N 0 3 242.363 1.307 10 0 BDAEHN COc1cccc2cc(CN)c(OC)nc21 ZINC000675069974 538498902 /nfs/dbraw/zinc/49/89/02/538498902.db2.gz NONBJIGFLFTCSM-UHFFFAOYSA-N 0 3 218.256 1.711 10 0 BDAEHN C[C@H]1NCCCn2cc(-c3cccnc3)nc21 ZINC000675069813 538499297 /nfs/dbraw/zinc/49/92/97/538499297.db2.gz YRNBYABLRBNYLK-SNVBAGLBSA-N 0 3 228.299 1.999 10 0 BDAEHN COc1ccc(C2=C[C@@H](O)CNC2)cc1 ZINC000675076928 538511685 /nfs/dbraw/zinc/51/16/85/538511685.db2.gz HLWCDWISMFRIHV-LLVKDONJSA-N 0 3 205.257 1.043 10 0 BDAEHN Cc1cc(C2=C[C@H](O)CNC2)ccc1F ZINC000675077839 538513946 /nfs/dbraw/zinc/51/39/46/538513946.db2.gz 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/nfs/dbraw/zinc/39/23/61/135392361.db2.gz DUWPOPPWONVWLK-LLVKDONJSA-N 0 3 241.379 1.959 10 0 BDAEHN CCC[C@H](N)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000049185198 322846646 /nfs/dbraw/zinc/84/66/46/322846646.db2.gz OXCRGWQYHYGRGL-ONGXEEELSA-N 0 3 240.372 1.923 10 0 BDAEHN C1CCC(c2noc([C@@H]3CNCCOC3)n2)C1 ZINC000644511795 397836860 /nfs/dbraw/zinc/83/68/60/397836860.db2.gz XHFXCAWWJFVGPS-SNVBAGLBSA-N 0 3 237.303 1.431 10 0 BDAEHN Cn1cncc1CN1CCC[C@H]1Cn1ccnc1 ZINC000179271532 397852615 /nfs/dbraw/zinc/85/26/15/397852615.db2.gz HTQWKNRDBUZMIG-LBPRGKRZSA-N 0 3 245.330 1.281 10 0 BDAEHN CC[C@H]1CN(CC2CC2)CCN1C[C@@H](C)O ZINC000156162679 397922615 /nfs/dbraw/zinc/92/26/15/397922615.db2.gz QKUUUHUOAIFXBF-YPMHNXCESA-N 0 3 226.364 1.173 10 0 BDAEHN Cc1ncsc1[C@]1(N)CSC[C@@H]1C ZINC000575467386 397992362 /nfs/dbraw/zinc/99/23/62/397992362.db2.gz QQMIMSMRALNLDR-RCOVLWMOSA-N 0 3 214.359 1.988 10 0 BDAEHN Cc1noc(C)c1CN1C[C@H](C)C[C@@H](O)C1 ZINC000334747700 398065764 /nfs/dbraw/zinc/06/57/64/398065764.db2.gz VMMSMKNOMGGTCL-LDYMZIIASA-N 0 3 224.304 1.494 10 0 BDAEHN CCN1CC[C@H](NCc2ncnn2C(C)C)C1 ZINC000389440474 398093180 /nfs/dbraw/zinc/09/31/80/398093180.db2.gz NQADFFXEOLFRPU-NSHDSACASA-N 0 3 237.351 1.043 10 0 BDAEHN CN1C[C@H]2CC[C@@H]1C[C@@]2(O)c1ccccc1 ZINC000584624839 398079515 /nfs/dbraw/zinc/07/95/15/398079515.db2.gz BGIHHGFRIVKNQW-MGPQQGTHSA-N 0 3 217.312 1.988 10 0 BDAEHN CC(C)(C)[C@@H](O)CNC[C@](C)(O)C(F)(F)F ZINC000324295915 487570407 /nfs/dbraw/zinc/57/04/07/487570407.db2.gz BQCREZQTJWRKOY-CBAPKCEASA-N 0 3 243.269 1.296 10 0 BDAEHN C[C@H](NC(=O)C1(N)CCCC1)C1CCCC1 ZINC000069805787 409644973 /nfs/dbraw/zinc/64/49/73/409644973.db2.gz MGRLLLQKGJPPFJ-JTQLQIEISA-N 0 3 224.348 1.953 10 0 BDAEHN CCC1(O)CCN(C(=O)[C@H](N)CC(C)C)CC1 ZINC000653174438 410150489 /nfs/dbraw/zinc/15/04/89/410150489.db2.gz FNUHIUORPKHELZ-LLVKDONJSA-N 0 3 242.363 1.123 10 0 BDAEHN CCN(CC)C(=O)CN1CCC[C@H]1CCCO ZINC000052762286 169748703 /nfs/dbraw/zinc/74/87/03/169748703.db2.gz MYVMZAXXGCOUFJ-LBPRGKRZSA-N 0 3 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CC(C)NCc1cnn([C@@H]2CCC[C@H]2O)c1 ZINC000054599529 167121310 /nfs/dbraw/zinc/12/13/10/167121310.db2.gz MPRQQTSSFZBIOR-VXGBXAGGSA-N 0 3 223.320 1.467 10 0 BDAEHN CC(C)N[C@@H](CO)c1cc(F)ccc1F ZINC000038115847 167133014 /nfs/dbraw/zinc/13/30/14/167133014.db2.gz ZSMDPDOUDMQZQX-NSHDSACASA-N 0 3 215.243 1.996 10 0 BDAEHN CC(C)Oc1cc(CN)c(OC2CC2)cn1 ZINC000095737937 167283825 /nfs/dbraw/zinc/28/38/25/167283825.db2.gz MLJSVTBBCILHOX-UHFFFAOYSA-N 0 3 222.288 1.869 10 0 BDAEHN CC(C)Oc1ccc(N2CC[C@@H](N)C2=O)cc1 ZINC000049647980 167295706 /nfs/dbraw/zinc/29/57/06/167295706.db2.gz HBSQOMGUAYTBJZ-GFCCVEGCSA-N 0 3 234.299 1.538 10 0 BDAEHN CC(C)[C@@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000105075819 167374614 /nfs/dbraw/zinc/37/46/14/167374614.db2.gz DWHKJCDPOCSNMP-NEPJUHHUSA-N 0 3 241.379 1.767 10 0 BDAEHN CC(C)[C@@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000105075849 167377202 /nfs/dbraw/zinc/37/72/02/167377202.db2.gz HDZSUCHWSSXMBC-WDEREUQCSA-N 0 3 241.379 1.813 10 0 BDAEHN CCC[C@@H](N)c1nc([C@H]2CCCN2)no1 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/nfs/dbraw/zinc/16/16/59/168161659.db2.gz PWABKVOVEQXLSO-MCIGGMRASA-N 0 3 224.348 1.823 10 0 BDAEHN CC1CCC(NC(=O)[C@H]2CCCCN2)CC1 ZINC000019408868 168162068 /nfs/dbraw/zinc/16/20/68/168162068.db2.gz PWABKVOVEQXLSO-HTAVTVPLSA-N 0 3 224.348 1.823 10 0 BDAEHN CC1CCC(OCCn2cc(CN)nn2)CC1 ZINC000052619308 168168646 /nfs/dbraw/zinc/16/86/46/168168646.db2.gz AXJXUXNLGGSNTM-UHFFFAOYSA-N 0 3 238.335 1.332 10 0 BDAEHN CC1CCN(Cc2cc(CN)no2)CC1 ZINC000052377053 168184949 /nfs/dbraw/zinc/18/49/49/168184949.db2.gz YXMORVPVIJPXFD-UHFFFAOYSA-N 0 3 209.293 1.365 10 0 BDAEHN CCC(=O)CCN1CCC(c2ccnn2C)CC1 ZINC000190206834 168201683 /nfs/dbraw/zinc/20/16/83/168201683.db2.gz ZHZSXABSVUTVBC-UHFFFAOYSA-N 0 3 249.358 1.969 10 0 BDAEHN CCC(C)(C)C(=O)Nc1ccc(CN)cn1 ZINC000054401477 168269227 /nfs/dbraw/zinc/26/92/27/168269227.db2.gz JNRORCKUSOFAOD-UHFFFAOYSA-N 0 3 221.304 1.915 10 0 BDAEHN Cc1ncc(CNCC[C@@H]2CCCO2)n1C ZINC000657304876 411456427 /nfs/dbraw/zinc/45/64/27/411456427.db2.gz SPVRZYGQQKPMPY-LBPRGKRZSA-N 0 3 223.320 1.387 10 0 BDAEHN COCCNCCNc1nccc2ccccc21 ZINC000216384048 411411855 /nfs/dbraw/zinc/41/18/55/411411855.db2.gz GIYNYDITUGAQEF-UHFFFAOYSA-N 0 3 245.326 1.883 10 0 BDAEHN CCN1CCCOC[C@H]1c1ccccc1CO ZINC000616649006 411412433 /nfs/dbraw/zinc/41/24/33/411412433.db2.gz JDIKGKDBGDOMKT-AWEZNQCLSA-N 0 3 235.327 1.962 10 0 BDAEHN CCN1CCN[C@@H](c2ccccc2F)C1 ZINC000034155290 170000743 /nfs/dbraw/zinc/00/07/43/170000743.db2.gz XKOMEPDJYZNIHZ-GFCCVEGCSA-N 0 3 208.280 1.792 10 0 BDAEHN CCN1CCC[C@@H](NCc2cnc3n2CCC3)C1 ZINC000657327004 411465840 /nfs/dbraw/zinc/46/58/40/411465840.db2.gz XYLDQGHQIGFVSE-GFCCVEGCSA-N 0 3 248.374 1.403 10 0 BDAEHN CCN1CC[C@@H](NC(=O)c2cccc(O)c2)C1 ZINC000334576719 170010921 /nfs/dbraw/zinc/01/09/21/170010921.db2.gz BQWIHNMESKQBDT-LLVKDONJSA-N 0 3 234.299 1.216 10 0 BDAEHN CCN1CC[C@H](CNC2N=NC(=S)S2)C1 ZINC000037484475 170016548 /nfs/dbraw/zinc/01/65/48/170016548.db2.gz YASPUYVYPGGNHK-SSDOTTSWSA-N 0 3 244.389 1.581 10 0 BDAEHN CCN1OC2(CC1=S)CCN(C)CC2 ZINC000039101747 170041030 /nfs/dbraw/zinc/04/10/30/170041030.db2.gz VTJPGWPIGFNAFS-UHFFFAOYSA-N 0 3 214.334 1.435 10 0 BDAEHN CCNC(=O)Nc1ccccc1[C@@H](C)N ZINC000036949271 170084889 /nfs/dbraw/zinc/08/48/89/170084889.db2.gz XAASSEWXCDUUNA-MRVPVSSYSA-N 0 3 207.277 1.848 10 0 BDAEHN CCNC(=O)[C@H](C)Oc1ccccc1[C@H](C)N ZINC000020419419 170096637 /nfs/dbraw/zinc/09/66/37/170096637.db2.gz BVCHUTTWMRKYIK-UWVGGRQHSA-N 0 3 236.315 1.610 10 0 BDAEHN CCNC(C)(C)C(=O)Nc1cc(C)ccn1 ZINC000061288276 170107280 /nfs/dbraw/zinc/10/72/80/170107280.db2.gz JOKCDMDFPUUOIR-UHFFFAOYSA-N 0 3 221.304 1.717 10 0 BDAEHN CCNC1(c2nccs2)CCN(C)CC1 ZINC000041060965 170108114 /nfs/dbraw/zinc/10/81/14/170108114.db2.gz STKXUUYNUAXCNO-UHFFFAOYSA-N 0 3 225.361 1.674 10 0 BDAEHN CCNCc1c(C)nn(C)c1N1CCC[C@H]1C ZINC000037911801 170124533 /nfs/dbraw/zinc/12/45/33/170124533.db2.gz PYWPLFSMHUUIDD-SNVBAGLBSA-N 0 3 236.363 1.827 10 0 BDAEHN CCNCc1cc(N2CCCOCC2)ccn1 ZINC000061935302 170125715 /nfs/dbraw/zinc/12/57/15/170125715.db2.gz 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BDAEHN Cc1nc2cc(Br)ccn2c1CN ZINC000082694849 180076537 /nfs/dbraw/zinc/07/65/37/180076537.db2.gz RBVKEPWEPJIAMD-UHFFFAOYSA-N 0 3 240.104 1.864 10 0 BDAEHN Cc1ncc(CN[C@@H]2CCC(=O)N[C@H]2C)s1 ZINC000282365500 180155186 /nfs/dbraw/zinc/15/51/86/180155186.db2.gz NNCOBXPKERJLMP-OIBJUYFYSA-N 0 3 239.344 1.208 10 0 BDAEHN Fc1cc(Cl)cc(NC2=NCCN2)c1 ZINC000230000966 538069038 /nfs/dbraw/zinc/06/90/38/538069038.db2.gz YUKADTAUKGKATP-UHFFFAOYSA-N 0 3 213.643 1.850 10 0 BDAEHN Cc1nccc(CN[C@@H](C)[C@@H]2CCCO2)n1 ZINC000054790187 180190877 /nfs/dbraw/zinc/19/08/77/180190877.db2.gz FOIFTRZWMGSNEZ-CABZTGNLSA-N 0 3 221.304 1.442 10 0 BDAEHN Cc1ncc([C@H]2CN3CCC2CC3)nc1C ZINC000013448175 180176756 /nfs/dbraw/zinc/17/67/56/180176756.db2.gz HZLFTADBJNHGTM-LBPRGKRZSA-N 0 3 217.316 1.903 10 0 BDAEHN Cc1nccc(CNC(C)(C)CCO)n1 ZINC000125625892 180188356 /nfs/dbraw/zinc/18/83/56/180188356.db2.gz BDEZEBJACJAYHO-UHFFFAOYSA-N 0 3 209.293 1.036 10 0 BDAEHN CC(C)(C)OC(=O)N[C@H]1CCCNC[C@@H]1F ZINC000725262169 538087729 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c1cc2nnccc2c([C@H]2CNCCO2)c1 ZINC000616601580 350782260 /nfs/dbraw/zinc/78/22/60/350782260.db2.gz DEVDGRDJPUBMID-GFCCVEGCSA-N 0 3 215.256 1.291 10 0 BDAEHN OCCN1CCCC[C@H](c2ncco2)C1 ZINC000616603258 350788985 /nfs/dbraw/zinc/78/89/85/350788985.db2.gz FEVQPYVUPWGCJQ-JTQLQIEISA-N 0 3 210.277 1.236 10 0 BDAEHN CCN1CCN[C@@H](c2ccccc2NC(C)=O)C1 ZINC000616602247 350791104 /nfs/dbraw/zinc/79/11/04/350791104.db2.gz ZBQZMHOFGJTCIT-CQSZACIVSA-N 0 3 247.342 1.611 10 0 BDAEHN OCCN1CCC[C@H](OC(F)(F)F)CC1 ZINC000616602360 350791193 /nfs/dbraw/zinc/79/11/93/350791193.db2.gz ZYRVPTNYWDWQCU-QMMMGPOBSA-N 0 3 227.226 1.370 10 0 BDAEHN OCc1cccc([C@H]2COCCCN2)c1 ZINC000616602432 350792101 /nfs/dbraw/zinc/79/21/01/350792101.db2.gz KCOPXSWSECFAHW-GFCCVEGCSA-N 0 3 207.273 1.230 10 0 BDAEHN CNc1cccc([C@H]2COCCCN2)c1 ZINC000616604723 350793371 /nfs/dbraw/zinc/79/33/71/350793371.db2.gz YYGMSEYIZCJRSU-GFCCVEGCSA-N 0 3 206.289 1.779 10 0 BDAEHN OCCN1CCC[C@H]1c1cc2ccccc2nn1 ZINC000616608421 350804488 /nfs/dbraw/zinc/80/44/88/350804488.db2.gz UOYJMDGLCGKIIX-AWEZNQCLSA-N 0 3 243.310 1.759 10 0 BDAEHN CC[C@@H]1C[S@](=O)[C@H](C)[C@@H](C2CC2)N1 ZINC000251922609 362986248 /nfs/dbraw/zinc/98/62/48/362986248.db2.gz YOUQSJDJXZZCOV-PZWLIILKSA-N 0 3 201.335 1.284 10 0 BDAEHN OCCN1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616614574 350835564 /nfs/dbraw/zinc/83/55/64/350835564.db2.gz VKBFJRDGJPHEOF-CQSZACIVSA-N 0 3 235.327 1.698 10 0 BDAEHN NCC(=O)Nc1ccc(Br)cc1O ZINC000306695109 350846943 /nfs/dbraw/zinc/84/69/43/350846943.db2.gz UMLNIVYBAXCLKC-UHFFFAOYSA-N 0 3 245.076 1.052 10 0 BDAEHN NC(=O)c1ccc([C@@H]2CCCCN2CCO)cc1 ZINC000616615861 350849548 /nfs/dbraw/zinc/84/95/48/350849548.db2.gz CRYNCGWYGIKNFB-ZDUSSCGKSA-N 0 3 248.326 1.305 10 0 BDAEHN NC1CN(Cc2csc(Cl)c2)C1 ZINC000306731111 350899281 /nfs/dbraw/zinc/89/92/81/350899281.db2.gz QKURPFUOBUVURY-UHFFFAOYSA-N 0 3 202.710 1.544 10 0 BDAEHN C[C@@H]1CCN(C(=O)NCc2ccccc2)CCN1 ZINC000306748982 350934461 /nfs/dbraw/zinc/93/44/61/350934461.db2.gz 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10 0 BDAEHN CC(=O)Nc1ccccc1[C@@H]1CCCN1CCO ZINC000616634551 351117004 /nfs/dbraw/zinc/11/70/04/351117004.db2.gz SVLHFWZLJCFWQS-AWEZNQCLSA-N 0 3 248.326 1.774 10 0 BDAEHN OCCN1CCCCC[C@H]1c1ccncn1 ZINC000616624631 351091747 /nfs/dbraw/zinc/09/17/47/351091747.db2.gz DMLSGYOLTCIASK-LBPRGKRZSA-N 0 3 221.304 1.386 10 0 BDAEHN c1cc2cc([C@H]3CNCCO3)ccc2nn1 ZINC000616645108 351166677 /nfs/dbraw/zinc/16/66/77/351166677.db2.gz ZCXKCRWHQNYCER-GFCCVEGCSA-N 0 3 215.256 1.291 10 0 BDAEHN CCN1CCCOC[C@@H]1c1ccccc1C(N)=O ZINC000616646621 351171252 /nfs/dbraw/zinc/17/12/52/351171252.db2.gz RNXJNZIXESQCSN-CYBMUJFWSA-N 0 3 248.326 1.569 10 0 BDAEHN CC(C)N1CCCO[C@H](c2ncco2)C1 ZINC000616650072 351173588 /nfs/dbraw/zinc/17/35/88/351173588.db2.gz SEDGFSIAILQUFE-JTQLQIEISA-N 0 3 210.277 1.846 10 0 BDAEHN CCN1CCCO[C@@H](c2ccccn2)C1 ZINC000616653660 351193982 /nfs/dbraw/zinc/19/39/82/351193982.db2.gz SLSZEORHYPELTG-GFCCVEGCSA-N 0 3 206.289 1.865 10 0 BDAEHN CC(C)(C)N1CCCO[C@H](c2cc[nH]n2)C1 ZINC000616649881 351179938 /nfs/dbraw/zinc/17/99/38/351179938.db2.gz NHJKVVDICQHPMO-NSHDSACASA-N 0 3 223.320 1.972 10 0 BDAEHN CCN1CCCO[C@@H](c2cccc(N)n2)C1 ZINC000616653298 351185280 /nfs/dbraw/zinc/18/52/80/351185280.db2.gz LGZDVQHZSKHFHP-LLVKDONJSA-N 0 3 221.304 1.447 10 0 BDAEHN CC(C)N1CCCO[C@@H](n2cccn2)C1 ZINC000616652732 351186257 /nfs/dbraw/zinc/18/62/57/351186257.db2.gz JHWUMPFKYKNOCG-LLVKDONJSA-N 0 3 209.293 1.512 10 0 BDAEHN OCCN1CCCC[C@@H](c2ncco2)C1 ZINC000616652175 351189968 /nfs/dbraw/zinc/18/99/68/351189968.db2.gz FEVQPYVUPWGCJQ-SNVBAGLBSA-N 0 3 210.277 1.236 10 0 BDAEHN c1ccc2nnc([C@H]3CNCCCO3)cc2c1 ZINC000616651998 351190040 /nfs/dbraw/zinc/19/00/40/351190040.db2.gz SALGGTKHNWGELI-CYBMUJFWSA-N 0 3 229.283 1.681 10 0 BDAEHN CC(C)(C)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000616654816 351190848 /nfs/dbraw/zinc/19/08/48/351190848.db2.gz NFWSMJVPWZEQCS-SNVBAGLBSA-N 0 3 233.377 1.684 10 0 BDAEHN CC(C)N1CCNC[C@@H]1c1cccnc1N ZINC000616637249 351131583 /nfs/dbraw/zinc/13/15/83/351131583.db2.gz HZRPLYIBMMVMDE-LLVKDONJSA-N 0 3 220.320 1.019 10 0 BDAEHN CN1CCNC[C@@H]1c1cc2ccccc2cn1 ZINC000616637499 351132080 /nfs/dbraw/zinc/13/20/80/351132080.db2.gz NZDSBMMOAWRPTK-CQSZACIVSA-N 0 3 227.311 1.811 10 0 BDAEHN CC(C)(C)N1CCNC[C@@H]1c1ccnnc1 ZINC000616637342 351132299 /nfs/dbraw/zinc/13/22/99/351132299.db2.gz KUTZEXSIGPHBRG-LLVKDONJSA-N 0 3 220.320 1.221 10 0 BDAEHN CC(C)(C)N1CCNC[C@H]1c1cccnn1 ZINC000616637476 351133205 /nfs/dbraw/zinc/13/32/05/351133205.db2.gz NILYGHPPAXDBSY-NSHDSACASA-N 0 3 220.320 1.221 10 0 BDAEHN CC(C)N1CCNC[C@H]1c1cccc(N)n1 ZINC000616637616 351134758 /nfs/dbraw/zinc/13/47/58/351134758.db2.gz OLZRJCQEVNWGHH-NSHDSACASA-N 0 3 220.320 1.019 10 0 BDAEHN Nc1cccc([C@H]2CCOCCN2CCO)c1 ZINC000616656666 351196842 /nfs/dbraw/zinc/19/68/42/351196842.db2.gz XGIXNKVNGBCLGJ-CYBMUJFWSA-N 0 3 236.315 1.025 10 0 BDAEHN CN1CCOC[C@H](c2cccc3ccnnc32)C1 ZINC000616657247 351198225 /nfs/dbraw/zinc/19/82/25/351198225.db2.gz CUMDIKUJNKUCEV-GFCCVEGCSA-N 0 3 243.310 1.675 10 0 BDAEHN 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BDAEHN COc1ccc2cc3n(c2c1)CCNC3 ZINC000013586844 175225679 /nfs/dbraw/zinc/22/56/79/175225679.db2.gz TXOXRFRYYDBUAR-UHFFFAOYSA-N 0 3 202.257 1.753 10 0 BDAEHN COc1cccc(CNC[C@@H]2CCC[C@@H]2O)n1 ZINC000089169469 175264916 /nfs/dbraw/zinc/26/49/16/175264916.db2.gz NXCROAIRWVOLJT-JQWIXIFHSA-N 0 3 236.315 1.341 10 0 BDAEHN COc1cccc([C@@H]2CN(C3CC3)CCN2)c1 ZINC000056894888 175290609 /nfs/dbraw/zinc/29/06/09/175290609.db2.gz TYWLJWKRNDCGIX-AWEZNQCLSA-N 0 3 232.327 1.804 10 0 BDAEHN COc1cccc([C@H](N)CO)c1Cl ZINC000072197919 175294312 /nfs/dbraw/zinc/29/43/12/175294312.db2.gz UFRLRHOFHJGFEB-SSDOTTSWSA-N 0 3 201.653 1.341 10 0 BDAEHN COc1ccccc1C(=O)[C@@H]1CCCN1 ZINC000041213530 175319170 /nfs/dbraw/zinc/31/91/70/175319170.db2.gz HJLDZSQEPAWLEX-JTQLQIEISA-N 0 3 205.257 1.630 10 0 BDAEHN COc1ccccc1[C@@H](C)N(C)C(=O)[C@H](C)N ZINC000037808306 175344658 /nfs/dbraw/zinc/34/46/58/175344658.db2.gz XSYXJHUDBKVNOD-VHSXEESVSA-N 0 3 236.315 1.562 10 0 BDAEHN COc1nc(C)c(CNCCN(C)C)s1 ZINC000045205512 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345032764 /nfs/dbraw/zinc/03/27/64/345032764.db2.gz CROLHOFASJRCDP-LLVKDONJSA-N 0 3 205.236 1.722 10 0 BDAEHN c1sc(CNCC2CC2)nc1CN1CCC1 ZINC000667594195 537884165 /nfs/dbraw/zinc/88/41/65/537884165.db2.gz JJUBSRVBASKCRG-UHFFFAOYSA-N 0 3 237.372 1.848 10 0 BDAEHN Cn1cc(Br)c([C@H]2CCCN2)n1 ZINC000238570759 345080514 /nfs/dbraw/zinc/08/05/14/345080514.db2.gz BEXYMVDNSBVBRE-SSDOTTSWSA-N 0 3 230.109 1.607 10 0 BDAEHN Cc1cc(CN)nc(OC(F)(F)F)c1 ZINC000238485125 345058936 /nfs/dbraw/zinc/05/89/36/345058936.db2.gz UGQBSODKSVTMIG-UHFFFAOYSA-N 0 3 206.167 1.747 10 0 BDAEHN Cc1cc(CN)ncc1OC(F)(F)F ZINC000238485376 345058946 /nfs/dbraw/zinc/05/89/46/345058946.db2.gz YLBGRMBAUVYJFY-UHFFFAOYSA-N 0 3 206.167 1.747 10 0 BDAEHN NC[C@H](N)c1ccc(Cl)nc1Cl ZINC000044472537 345090837 /nfs/dbraw/zinc/09/08/37/345090837.db2.gz SHBWPHXRZZXSQE-YFKPBYRVSA-N 0 3 206.076 1.347 10 0 BDAEHN NCc1cc(F)cnc1OC(F)(F)F ZINC000238660910 345104334 /nfs/dbraw/zinc/10/43/34/345104334.db2.gz FKIURCIOYWFKJR-UHFFFAOYSA-N 0 3 210.130 1.578 10 0 BDAEHN NCc1cc(OC(F)(F)F)ncc1F ZINC000238675744 345106952 /nfs/dbraw/zinc/10/69/52/345106952.db2.gz AMRIRMBNPDIAHD-UHFFFAOYSA-N 0 3 210.130 1.578 10 0 BDAEHN NCc1cccc(O)c1OC(F)(F)F ZINC000238684892 345108906 /nfs/dbraw/zinc/10/89/06/345108906.db2.gz ANZVUYSWHGALCZ-UHFFFAOYSA-N 0 3 207.151 1.750 10 0 BDAEHN C[C@H](O)c1ccc(N2CCNCC2)c(F)c1 ZINC000070199651 345476667 /nfs/dbraw/zinc/47/66/67/345476667.db2.gz XZWYZDHGOWTHNG-VIFPVBQESA-N 0 3 224.279 1.289 10 0 BDAEHN c1ccc(COCOC[C@@H]2CNCCO2)cc1 ZINC000033898828 345807221 /nfs/dbraw/zinc/80/72/21/345807221.db2.gz DXUYLXVTACFKNY-ZDUSSCGKSA-N 0 3 237.299 1.166 10 0 BDAEHN c1cc(N2CCCC2)nc(N2CCNCC2)c1 ZINC000034337348 345821610 /nfs/dbraw/zinc/82/16/10/345821610.db2.gz DIWRAZZTEGULJF-UHFFFAOYSA-N 0 3 232.331 1.091 10 0 BDAEHN O=C1CCCC[C@H]1CN1CCCOCC1 ZINC000061934049 346177116 /nfs/dbraw/zinc/17/71/16/346177116.db2.gz VQUUMWAZYQLKTC-NSHDSACASA-N 0 3 211.305 1.468 10 0 BDAEHN CN1CC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000061987519 346186456 /nfs/dbraw/zinc/18/64/56/346186456.db2.gz OZUFLVOSWWJUEO-NSHDSACASA-N 0 3 211.692 1.863 10 0 BDAEHN Cn1nnc(Br)c1[C@H](N)C(C)(C)C ZINC000236129183 346194195 /nfs/dbraw/zinc/19/41/95/346194195.db2.gz LYENSGMYIAREOB-LURJTMIESA-N 0 3 247.140 1.624 10 0 BDAEHN Cc1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1[O-] ZINC000111366421 179009933 /nfs/dbraw/zinc/00/99/33/179009933.db2.gz CJLIHISEGMKMBR-JTQLQIEISA-N 0 3 234.299 1.264 10 0 BDAEHN Cc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1[O-] ZINC000310362337 179010718 /nfs/dbraw/zinc/01/07/18/179010718.db2.gz KRHRYAPWYKVNOR-KOLCDFICSA-N 0 3 234.299 1.262 10 0 BDAEHN C[C@@H]1CC[C@H](n2cc(CN)nn2)C[C@@H]1C ZINC000082844371 537971482 /nfs/dbraw/zinc/97/14/82/537971482.db2.gz FUHQHVSKCIFJBA-YWVKMMECSA-N 0 3 208.309 1.734 10 0 BDAEHN Cc1cccc(CN2CC[C@@H](N)C2=O)c1 ZINC000049648860 179078244 /nfs/dbraw/zinc/07/82/44/179078244.db2.gz HMORFIUCCOBOJQ-LLVKDONJSA-N 0 3 204.273 1.055 10 0 BDAEHN CC(C)(C)NCc1nc(CO)cs1 ZINC000669379466 537978784 /nfs/dbraw/zinc/97/87/84/537978784.db2.gz CQWFNCTWWZYSKX-UHFFFAOYSA-N 0 3 200.307 1.524 10 0 BDAEHN CCCCO[C@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170854772 346462539 /nfs/dbraw/zinc/46/25/39/346462539.db2.gz RLJZMBLGPLXOSQ-NEPJUHHUSA-N 0 3 242.363 1.354 10 0 BDAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(SC)CC1 ZINC000300805526 346537948 /nfs/dbraw/zinc/53/79/48/346537948.db2.gz GHELUWYPSRKJBN-MWLCHTKSSA-N 0 3 244.404 1.714 10 0 BDAEHN Cn1nccc1[C@@H](N)Cc1cncs1 ZINC000164953291 346634279 /nfs/dbraw/zinc/63/42/79/346634279.db2.gz DTWSCQDHZQHYHW-QMMMGPOBSA-N 0 3 208.290 1.119 10 0 BDAEHN COc1ccccc1CN[C@@H]1C[C@H]1CO ZINC000378675151 346802302 /nfs/dbraw/zinc/80/23/02/346802302.db2.gz ODMNQXFCGQZGRH-WDEREUQCSA-N 0 3 207.273 1.166 10 0 BDAEHN Cc1cccc(OC[C@@H]2CNCCO2)c1C ZINC000011587401 179171506 /nfs/dbraw/zinc/17/15/06/179171506.db2.gz JZSIVWQQJGNSAR-LBPRGKRZSA-N 0 3 221.300 1.671 10 0 BDAEHN Cc1cccc(OC[C@H](O)CN[C@H](C)CF)c1 ZINC000040847657 179172139 /nfs/dbraw/zinc/17/21/39/179172139.db2.gz DIYDLIFSZIZBCW-VXGBXAGGSA-N 0 3 241.306 1.682 10 0 BDAEHN Cc1cccc([C@@H](N)c2cnn(C)c2)c1 ZINC000026516997 179186848 /nfs/dbraw/zinc/18/68/48/179186848.db2.gz CHPYGEHXBFXZHB-GFCCVEGCSA-N 0 3 201.273 1.777 10 0 BDAEHN c1cc2c(s1)CCN[C@@]21C[C@@H]2COC[C@H]21 ZINC000725242893 537989019 /nfs/dbraw/zinc/98/90/19/537989019.db2.gz SRHFOJQKGJYICU-UISBYWKRSA-N 0 3 221.325 1.755 10 0 BDAEHN CO[C@@]1(C(=O)OC(C)(C)C)CCCNC1 ZINC000616568207 347444592 /nfs/dbraw/zinc/44/45/92/347444592.db2.gz GHWNCMGEIAZFDD-NSHDSACASA-N 0 3 215.293 1.097 10 0 BDAEHN Cc1ccccc1CCC(=O)N[C@@H]1C[C@H]1N ZINC000051986035 179261771 /nfs/dbraw/zinc/26/17/71/179261771.db2.gz BKFVCVVSCPXHQO-VXGBXAGGSA-N 0 3 218.300 1.143 10 0 BDAEHN Cc1ccccc1S(=O)(=O)[C@@H]1CCCNC1 ZINC000083296116 179315057 /nfs/dbraw/zinc/31/50/57/179315057.db2.gz FUYYZRALHMKZMJ-LLVKDONJSA-N 0 3 239.340 1.521 10 0 BDAEHN CN(C)[C@@H]1CCCN(CC[C@H]2CCC2=O)C1 ZINC000669381577 537994510 /nfs/dbraw/zinc/99/45/10/537994510.db2.gz OLAFKFORSATRBC-VXGBXAGGSA-N 0 3 224.348 1.382 10 0 BDAEHN CC(C)N1CCN(CC[C@H]2CCC2=O)CC1 ZINC000669381628 537994621 /nfs/dbraw/zinc/99/46/21/537994621.db2.gz PTOCGNHMXSJSKO-GFCCVEGCSA-N 0 3 224.348 1.382 10 0 BDAEHN Cc1ccccc1[C@@H](C)NC(C)(C)C(N)=O ZINC000040674178 179320348 /nfs/dbraw/zinc/32/03/48/179320348.db2.gz QYTATUBGTTWIBD-SNVBAGLBSA-N 0 3 220.316 1.910 10 0 BDAEHN Cc1ccccc1[C@@H](O)CCN1CC[C@H](O)C1 ZINC000061712173 179326288 /nfs/dbraw/zinc/32/62/88/179326288.db2.gz JUGIXCCOFXDJQY-JSGCOSHPSA-N 0 3 235.327 1.485 10 0 BDAEHN Cc1nn(C)c(C)c1CN[C@H]1CCC[C@H](O)C1 ZINC000037163672 348027818 /nfs/dbraw/zinc/02/78/18/348027818.db2.gz DJFIWUAMQIZICV-RYUDHWBXSA-N 0 3 237.347 1.430 10 0 BDAEHN Cc1ccccc1[C@H](C)N1CC[C@@H](N)C1=O ZINC000049659992 179336207 /nfs/dbraw/zinc/33/62/07/179336207.db2.gz BWGLNVQYZURFOO-CMPLNLGQSA-N 0 3 218.300 1.616 10 0 BDAEHN Cc1ccccc1[C@H](C)NC(C)(C)C(N)=O ZINC000040674179 179337378 /nfs/dbraw/zinc/33/73/78/179337378.db2.gz QYTATUBGTTWIBD-JTQLQIEISA-N 0 3 220.316 1.910 10 0 BDAEHN Cc1ccccc1[C@H](C)NCCn1cncn1 ZINC000268813260 179337719 /nfs/dbraw/zinc/33/77/19/179337719.db2.gz JQPKRGBBKBOSFV-LBPRGKRZSA-N 0 3 230.315 1.937 10 0 BDAEHN Cc1c2cc(O)ccc2nc(N)c1CN ZINC000725244401 537998786 /nfs/dbraw/zinc/99/87/86/537998786.db2.gz NMKHGNSVCOIPOU-UHFFFAOYSA-N 0 3 203.245 1.290 10 0 BDAEHN NC1=NCCOc2cc(Br)ccc21 ZINC000204684594 348387296 /nfs/dbraw/zinc/38/72/96/348387296.db2.gz HEFBSANBSMBSSP-UHFFFAOYSA-N 0 3 241.088 1.547 10 0 BDAEHN Cc1ccnc([S@](=O)C[C@H]2CCCCN2)n1 ZINC000095069283 179469867 /nfs/dbraw/zinc/46/98/67/179469867.db2.gz QUACHNMJSSWJJO-HWPZZCPQSA-N 0 3 239.344 1.035 10 0 BDAEHN CCOCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000082725503 348550099 /nfs/dbraw/zinc/55/00/99/348550099.db2.gz IGVGESCRRQIJHV-STQMWFEESA-N 0 3 226.364 1.582 10 0 BDAEHN N[C@@H]1C[C@]12CNc1cc3c(cc12)OCCCO3 ZINC000725246963 538009157 /nfs/dbraw/zinc/00/91/57/538009157.db2.gz BSGVDPATPLJDBH-CHWSQXEVSA-N 0 3 232.283 1.242 10 0 BDAEHN N[C@@H]1C[C@]12CNc1c2cccc1Br ZINC000725247797 538013330 /nfs/dbraw/zinc/01/33/30/538013330.db2.gz YRXFCNXEVBUZDD-PSASIEDQSA-N 0 3 239.116 1.843 10 0 BDAEHN N[C@H]1C[C@@]12CNc1c2cccc1Br ZINC000725247800 538012749 /nfs/dbraw/zinc/01/27/49/538012749.db2.gz YRXFCNXEVBUZDD-WPRPVWTQSA-N 0 3 239.116 1.843 10 0 BDAEHN C[C@@H]1CN=C(N[C@@H]2CCO[C@H]2C)S1 ZINC000251832036 362932833 /nfs/dbraw/zinc/93/28/33/362932833.db2.gz PPWMQRACXXKCED-GJMOJQLCSA-N 0 3 200.307 1.245 10 0 BDAEHN CN[C@H](C)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000054074920 348876217 /nfs/dbraw/zinc/87/62/17/348876217.db2.gz XOFWBJVMFFKVIK-TZMCWYRMSA-N 0 3 246.354 1.828 10 0 BDAEHN CN[C@H](C)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000054076922 348880265 /nfs/dbraw/zinc/88/02/65/348880265.db2.gz YPXXEVNLLDQEKD-DGCLKSJQSA-N 0 3 232.327 1.610 10 0 BDAEHN CN[C@H](C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000054072795 348888570 /nfs/dbraw/zinc/88/85/70/348888570.db2.gz BMOXOVSJLARXGU-SNVBAGLBSA-N 0 3 236.315 1.858 10 0 BDAEHN Cc1cnn(C)c1CNC[C@@H](O)C(C)(C)C ZINC000286750445 179721265 /nfs/dbraw/zinc/72/12/65/179721265.db2.gz YRHPMOIYYHNWSR-LLVKDONJSA-N 0 3 225.336 1.225 10 0 BDAEHN CN[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000055421655 349093938 /nfs/dbraw/zinc/09/39/38/349093938.db2.gz XSFZTTRYGXOPJU-ZWNOBZJWSA-N 0 3 232.327 1.788 10 0 BDAEHN CC1(C)C[C@@H](N)c2ccccc2S1(=O)=O ZINC000616578485 349124303 /nfs/dbraw/zinc/12/43/03/349124303.db2.gz OMOMPXHVQLMQQT-SECBINFHSA-N 0 3 225.313 1.642 10 0 BDAEHN Cn1c2c(nc1C(F)(F)F)CCC[C@@H]2N ZINC000725253811 538039100 /nfs/dbraw/zinc/03/91/00/538039100.db2.gz ZFYHUWUKKFCXNG-YFKPBYRVSA-N 0 3 219.210 1.775 10 0 BDAEHN CCC[C@@H](N)C(=O)Nc1cnn(C(C)C)c1 ZINC000061683568 349388796 /nfs/dbraw/zinc/38/87/96/349388796.db2.gz RDDIMAATOMQSGH-SNVBAGLBSA-N 0 3 224.308 1.530 10 0 BDAEHN CCCC1CCC(N2CC[C@@H](N)C2=O)CC1 ZINC000049660224 168604589 /nfs/dbraw/zinc/60/45/89/168604589.db2.gz NSFWNAYPWJQTBX-HTAVTVPLSA-N 0 3 224.348 1.905 10 0 BDAEHN CCOc1cc(C)nc(N2CCNCC2)c1 ZINC000217865730 350075612 /nfs/dbraw/zinc/07/56/12/350075612.db2.gz FSNPNWIURAHVMX-UHFFFAOYSA-N 0 3 221.304 1.198 10 0 BDAEHN CC(C)Oc1cncc(N2CCN[C@@H](C)C2)n1 ZINC000071175911 350090368 /nfs/dbraw/zinc/09/03/68/350090368.db2.gz FHVYYNHUNVEIIB-JTQLQIEISA-N 0 3 236.319 1.062 10 0 BDAEHN Cc1nc([C@@H](N)[C@H]2CCOC2)sc1C ZINC000041059996 180039611 /nfs/dbraw/zinc/03/96/11/180039611.db2.gz PLGKTKDZZUXBOJ-IUCAKERBSA-N 0 3 212.318 1.796 10 0 BDAEHN Cc1nc([C@H](NCCO)C2CC2)sc1C ZINC000045205777 180055508 /nfs/dbraw/zinc/05/55/08/180055508.db2.gz SGSNRLXPPADZFL-SNVBAGLBSA-N 0 3 226.345 1.793 10 0 BDAEHN CCOC(=O)C1C(=O)Nc2ccc(Cl)cc21 ZINC000725255658 538053813 /nfs/dbraw/zinc/05/38/13/538053813.db2.gz HJZSKJXMIDVERX-VIFPVBQESA-N 0 3 239.658 1.939 10 0 BDAEHN CC[C@H]1C[C@@H](C(=O)OC)Cc2[nH]c(N)nc21 ZINC000725256808 538058840 /nfs/dbraw/zinc/05/88/40/538058840.db2.gz ZDDCVSHZGIMUBX-NKWVEPMBSA-N 0 3 223.276 1.221 10 0 BDAEHN CC[C@H]1C[C@@H](C(=O)OC)Cc2nc(N)[nH]c21 ZINC000725256808 538058843 /nfs/dbraw/zinc/05/88/43/538058843.db2.gz ZDDCVSHZGIMUBX-NKWVEPMBSA-N 0 3 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