smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ncccc4CN4CCCC4)C3)C2)n1 ZINC001164663832 719359093 /nfs/dbraw/zinc/35/90/93/719359093.db2.gz HHPRTOMXYBQTCO-VWLOTQADSA-N 0 3 432.572 3.067 20 30 IGEDHN CNC(=O)CN1CCCC12CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164691367 719757191 /nfs/dbraw/zinc/75/71/91/719757191.db2.gz NXALEJOQMIMCIK-UHFFFAOYSA-N 0 3 433.890 3.219 20 30 IGEDHN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971474 722109865 /nfs/dbraw/zinc/10/98/65/722109865.db2.gz CQJAQHLDRLQNPJ-LPHOPBHVSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981053 722121719 /nfs/dbraw/zinc/12/17/19/722121719.db2.gz SFFPPSQKZVJCJY-ZWKOTPCHSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984628 722132952 /nfs/dbraw/zinc/13/29/52/722132952.db2.gz YAGVEYVMUGMKJU-LPHOPBHVSA-N 0 3 433.890 3.274 20 30 IGEDHN CC(C)N(C)Cc1cnc2n1CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)[C@H]2C ZINC001164862601 721013234 /nfs/dbraw/zinc/01/32/34/721013234.db2.gz RIDCPBJQCZZEJQ-FUHWJXTLSA-N 0 3 439.564 3.043 20 30 IGEDHN N#Cc1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979307 722101775 /nfs/dbraw/zinc/10/17/75/722101775.db2.gz HXQCMRLTGIUMCO-ZWKOTPCHSA-N 0 3 433.890 3.274 20 30 IGEDHN CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985444 722133344 /nfs/dbraw/zinc/13/33/44/722133344.db2.gz ZMRGUDKPBRVHLZ-KNQAVFIVSA-N 0 3 448.571 3.060 20 30 IGEDHN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984629 722133464 /nfs/dbraw/zinc/13/34/64/722133464.db2.gz YAGVEYVMUGMKJU-QFBILLFUSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1ccc(-c2ccncc2)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979600 722138389 /nfs/dbraw/zinc/13/83/89/722138389.db2.gz LMEILJQFIOFZGI-UPVQGACJSA-N 0 3 426.524 3.138 20 30 IGEDHN CN(Cc1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)nc1)C1CC1 ZINC001164663456 719358782 /nfs/dbraw/zinc/35/87/82/719358782.db2.gz FYZMHUOKOVGYFB-VWLOTQADSA-N 0 3 432.572 3.066 20 30 IGEDHN N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ccc(CN5CCCC5)cn4)C3)C2)n1 ZINC001164664884 719358839 /nfs/dbraw/zinc/35/88/39/719358839.db2.gz RLLKEJYXDNLNCL-VWLOTQADSA-N 0 3 432.572 3.067 20 30 IGEDHN N#Cc1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979301 722101647 /nfs/dbraw/zinc/10/16/47/722101647.db2.gz HXQCMRLTGIUMCO-QZTJIDSGSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975494 722103574 /nfs/dbraw/zinc/10/35/74/722103574.db2.gz CAHVZDYLRKRHMJ-LPHOPBHVSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc(Cl)n1 ZINC001164975680 722115155 /nfs/dbraw/zinc/11/51/55/722115155.db2.gz KGRSXMSKWSBAAG-APWZRJJASA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971878 722121658 /nfs/dbraw/zinc/12/16/58/722121658.db2.gz CYXRLQZVAUZYLU-MSOLQXFVSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977303 722154065 /nfs/dbraw/zinc/15/40/65/722154065.db2.gz YLKMBEUGMBEJLU-WZONZLPQSA-N 0 3 444.495 3.137 20 30 IGEDHN Cc1ccc([C@H](C#N)c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164867958 721052305 /nfs/dbraw/zinc/05/23/05/721052305.db2.gz LKGMUBGRIMTXBM-HJOGWXRNSA-N 0 3 440.551 3.315 20 30 IGEDHN Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164767404 721081774 /nfs/dbraw/zinc/08/17/74/721081774.db2.gz LQNZOYFVAKVDQC-ZRBLBEILSA-N 0 3 427.556 3.132 20 30 IGEDHN Cn1cc(CN2CC[C@H]3CN(c4ccc(COc5ccc(CC#N)cc5)cn4)C[C@@H]3C2)cn1 ZINC001164767741 721205575 /nfs/dbraw/zinc/20/55/75/721205575.db2.gz KLJOLINASOEKLT-ZEQRLZLVSA-N 0 3 442.567 3.418 20 30 IGEDHN Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(C#C[Si](C)(C)C)c1 ZINC001164893749 721427099 /nfs/dbraw/zinc/42/70/99/721427099.db2.gz KERCKHSCMLXRQR-ZCYQVOJMSA-N 0 3 440.708 3.384 20 30 IGEDHN CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899258 721524142 /nfs/dbraw/zinc/52/41/42/721524142.db2.gz KSYGZSYUCAXCCY-SJLPKXTDSA-N 0 3 444.894 3.264 20 30 IGEDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC2)CC1 ZINC001164614635 719022174 /nfs/dbraw/zinc/02/21/74/719022174.db2.gz VURMWSZBUOIGLL-UHFFFAOYSA-N 0 3 426.895 3.395 20 30 IGEDHN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971476 722109531 /nfs/dbraw/zinc/10/95/31/722109531.db2.gz CQJAQHLDRLQNPJ-QFBILLFUSA-N 0 3 433.890 3.274 20 30 IGEDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC2)CC1 ZINC001164616997 719027221 /nfs/dbraw/zinc/02/72/21/719027221.db2.gz HQPIESVLTSJEGF-UHFFFAOYSA-N 0 3 426.895 3.395 20 30 IGEDHN N#Cc1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164979304 722101729 /nfs/dbraw/zinc/10/17/29/722101729.db2.gz HXQCMRLTGIUMCO-ROUUACIJSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977299 722154085 /nfs/dbraw/zinc/15/40/85/722154085.db2.gz YLKMBEUGMBEJLU-MBSDFSHPSA-N 0 3 444.495 3.137 20 30 IGEDHN CC(C)N(C)Cc1cnc2n1CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)[C@@H]2C ZINC001164862584 721014155 /nfs/dbraw/zinc/01/41/55/721014155.db2.gz RIDCPBJQCZZEJQ-AEFFLSMTSA-N 0 3 439.564 3.043 20 30 IGEDHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C#C[Si](C)(C)C)ccn4)C3)O2)CC1 ZINC001164888449 721449464 /nfs/dbraw/zinc/44/94/64/721449464.db2.gz MJSYSYCWVXJYAP-VWNXMTODSA-N 0 3 426.681 3.076 20 30 IGEDHN N#CC1(c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2)CCOCC1 ZINC001164960653 722059013 /nfs/dbraw/zinc/05/90/13/722059013.db2.gz GBLFCVVUMAEPEE-UHFFFAOYSA-N 0 3 447.583 3.167 20 30 IGEDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC2)CC1 ZINC001164616375 719027520 /nfs/dbraw/zinc/02/75/20/719027520.db2.gz CJFKTHLUVDMYOT-UHFFFAOYSA-N 0 3 426.895 3.395 20 30 IGEDHN N#C[C@H](c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164863360 721108549 /nfs/dbraw/zinc/10/85/49/721108549.db2.gz CEGUURKEBGDLQL-VWPQPMDRSA-N 0 3 444.514 3.146 20 30 IGEDHN CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899252 721524130 /nfs/dbraw/zinc/52/41/30/721524130.db2.gz KSYGZSYUCAXCCY-FUHWJXTLSA-N 0 3 444.894 3.264 20 30 IGEDHN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971477 722109788 /nfs/dbraw/zinc/10/97/88/722109788.db2.gz CQJAQHLDRLQNPJ-VQIMIIECSA-N 0 3 433.890 3.274 20 30 IGEDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(Cl)ccc3C#N)CC2)CC1 ZINC001164618578 719027507 /nfs/dbraw/zinc/02/75/07/719027507.db2.gz ZAPYZGURIMBRHD-UHFFFAOYSA-N 0 3 426.895 3.395 20 30 IGEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164747289 720807409 /nfs/dbraw/zinc/80/74/09/720807409.db2.gz MZKDOBFDQUDVAB-LSDHHAIUSA-N 0 3 438.894 3.339 20 30 IGEDHN N#C[C@H](c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1)c1ccccc1F ZINC001164863356 721108182 /nfs/dbraw/zinc/10/81/82/721108182.db2.gz CEGUURKEBGDLQL-SJBKTWHCSA-N 0 3 444.514 3.146 20 30 IGEDHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C#C[Si](C)(C)C)ccn4)C3)O2)CC1 ZINC001164888444 721448587 /nfs/dbraw/zinc/44/85/87/721448587.db2.gz MJSYSYCWVXJYAP-LADGPHEKSA-N 0 3 426.681 3.076 20 30 IGEDHN N#Cc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164910954 721564512 /nfs/dbraw/zinc/56/45/12/721564512.db2.gz XSLHSQVVLIIVCK-AZUAARDMSA-N 0 3 433.443 3.496 20 30 IGEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984044 722104635 /nfs/dbraw/zinc/10/46/35/722104635.db2.gz RNSVGFBIORPDRN-UTKZUKDTSA-N 0 3 434.931 3.277 20 30 IGEDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)CC1 ZINC001164618458 719030126 /nfs/dbraw/zinc/03/01/26/719030126.db2.gz XDBSTQNMJMNUBN-UHFFFAOYSA-N 0 3 426.895 3.395 20 30 IGEDHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(C#C[Si](C)(C)C)c1 ZINC001164893746 721426692 /nfs/dbraw/zinc/42/66/92/721426692.db2.gz KERCKHSCMLXRQR-UKILVPOCSA-N 0 3 440.708 3.384 20 30 IGEDHN CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899264 721524490 /nfs/dbraw/zinc/52/44/90/721524490.db2.gz KSYGZSYUCAXCCY-WMZOPIPTSA-N 0 3 444.894 3.264 20 30 IGEDHN N#Cc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc(Cl)n1 ZINC001164975681 722115864 /nfs/dbraw/zinc/11/58/64/722115864.db2.gz KGRSXMSKWSBAAG-LPHOPBHVSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971879 722121375 /nfs/dbraw/zinc/12/13/75/722121375.db2.gz CYXRLQZVAUZYLU-QZTJIDSGSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979596 722138191 /nfs/dbraw/zinc/13/81/91/722138191.db2.gz LMEILJQFIOFZGI-ISKFKSNPSA-N 0 3 426.524 3.138 20 30 IGEDHN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975496 722103319 /nfs/dbraw/zinc/10/33/19/722103319.db2.gz CAHVZDYLRKRHMJ-VQIMIIECSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971880 722121183 /nfs/dbraw/zinc/12/11/83/722121183.db2.gz CYXRLQZVAUZYLU-ROUUACIJSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981046 722121416 /nfs/dbraw/zinc/12/14/16/722121416.db2.gz SFFPPSQKZVJCJY-MSOLQXFVSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984627 722133553 /nfs/dbraw/zinc/13/35/53/722133553.db2.gz YAGVEYVMUGMKJU-APWZRJJASA-N 0 3 433.890 3.274 20 30 IGEDHN CC(C)N(C)Cc1cnc2n1CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)[C@H]2C ZINC001164862604 721014504 /nfs/dbraw/zinc/01/45/04/721014504.db2.gz RIDCPBJQCZZEJQ-WMZOPIPTSA-N 0 3 439.564 3.043 20 30 IGEDHN Cc1ccc([C@H](C#N)c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1 ZINC001164867961 721051503 /nfs/dbraw/zinc/05/15/03/721051503.db2.gz LKGMUBGRIMTXBM-VXNXHJTFSA-N 0 3 440.551 3.315 20 30 IGEDHN Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164767398 721082209 /nfs/dbraw/zinc/08/22/09/721082209.db2.gz LQNZOYFVAKVDQC-VABKMULXSA-N 0 3 427.556 3.132 20 30 IGEDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC2)CC1 ZINC001164618675 719027571 /nfs/dbraw/zinc/02/75/71/719027571.db2.gz ZPRQCEXJJBHWOB-UHFFFAOYSA-N 0 3 426.895 3.395 20 30 IGEDHN Cc1ccc([C@H](C#N)c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1 ZINC001164867959 721051374 /nfs/dbraw/zinc/05/13/74/721051374.db2.gz LKGMUBGRIMTXBM-SGNDLWITSA-N 0 3 440.551 3.315 20 30 IGEDHN N#C[C@H](c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1)c1ccccc1F ZINC001164863353 721109187 /nfs/dbraw/zinc/10/91/87/721109187.db2.gz CEGUURKEBGDLQL-ONTIZHBOSA-N 0 3 444.514 3.146 20 30 IGEDHN N#Cc1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164979300 722101741 /nfs/dbraw/zinc/10/17/41/722101741.db2.gz HXQCMRLTGIUMCO-MSOLQXFVSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975495 722103401 /nfs/dbraw/zinc/10/34/01/722103401.db2.gz CAHVZDYLRKRHMJ-QFBILLFUSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977242 722154209 /nfs/dbraw/zinc/15/42/09/722154209.db2.gz YLKMBEUGMBEJLU-FDDCHVKYSA-N 0 3 444.495 3.137 20 30 IGEDHN CC(C)N(C)Cc1cnc2n1CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)[C@@H]2C ZINC001164862602 721013776 /nfs/dbraw/zinc/01/37/76/721013776.db2.gz RIDCPBJQCZZEJQ-SJLPKXTDSA-N 0 3 439.564 3.043 20 30 IGEDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccnc(Cl)c3C#N)CC2)CC1 ZINC001164614277 719022316 /nfs/dbraw/zinc/02/23/16/719022316.db2.gz QVJGMRRNJRCETP-UHFFFAOYSA-N 0 3 426.895 3.395 20 30 IGEDHN Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164747285 720807679 /nfs/dbraw/zinc/80/76/79/720807679.db2.gz MZKDOBFDQUDVAB-HUUCEWRRSA-N 0 3 438.894 3.339 20 30 IGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900666 721522608 /nfs/dbraw/zinc/52/26/08/721522608.db2.gz SQCOKQNACAWQGD-UKRRQHHQSA-N 0 3 437.928 3.141 20 30 IGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900666 721522611 /nfs/dbraw/zinc/52/26/11/721522611.db2.gz SQCOKQNACAWQGD-UKRRQHHQSA-N 0 3 437.928 3.141 20 30 IGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900664 721523107 /nfs/dbraw/zinc/52/31/07/721523107.db2.gz SQCOKQNACAWQGD-DZGCQCFKSA-N 0 3 437.928 3.141 20 30 IGEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900664 721523110 /nfs/dbraw/zinc/52/31/10/721523110.db2.gz SQCOKQNACAWQGD-DZGCQCFKSA-N 0 3 437.928 3.141 20 30 IGEDHN 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N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984040 722104601 /nfs/dbraw/zinc/10/46/01/722104601.db2.gz RNSVGFBIORPDRN-LAUBAEHRSA-N 0 3 434.931 3.277 20 30 IGEDHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(C#C[Si](C)(C)C)c1 ZINC001164893739 721427267 /nfs/dbraw/zinc/42/72/67/721427267.db2.gz KERCKHSCMLXRQR-ILBGXUMGSA-N 0 3 440.708 3.384 20 30 IGEDHN N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ccc(CN5CCCC5)cn4)C3)C2)n1 ZINC001164664883 719358938 /nfs/dbraw/zinc/35/89/38/719358938.db2.gz RLLKEJYXDNLNCL-RUZDIDTESA-N 0 3 432.572 3.067 20 30 IGEDHN N#Cc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164910969 721564322 /nfs/dbraw/zinc/56/43/22/721564322.db2.gz XSLHSQVVLIIVCK-ICSRJNTNSA-N 0 3 433.443 3.496 20 30 IGEDHN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972445 722121570 /nfs/dbraw/zinc/12/15/70/722121570.db2.gz FOMLNKXTZFJZRQ-QFBILLFUSA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979602 722138154 /nfs/dbraw/zinc/13/81/54/722138154.db2.gz LMEILJQFIOFZGI-VWNXMTODSA-N 0 3 426.524 3.138 20 30 IGEDHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(Cl)nc3C#N)CC2)CC1 ZINC001164613814 719024411 /nfs/dbraw/zinc/02/44/11/719024411.db2.gz FVBXYANKKJMURZ-UHFFFAOYSA-N 0 3 426.895 3.395 20 30 IGEDHN N#C[C@H](c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1)c1ccccc1F ZINC001164863358 721108650 /nfs/dbraw/zinc/10/86/50/721108650.db2.gz CEGUURKEBGDLQL-URVUXULASA-N 0 3 444.514 3.146 20 30 IGEDHN N#Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164977293 722154090 /nfs/dbraw/zinc/15/40/90/722154090.db2.gz YLKMBEUGMBEJLU-JPYJTQIMSA-N 0 3 444.495 3.137 20 30 IGEDHN Cc1ccc([C@H](C#N)c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164767400 721082241 /nfs/dbraw/zinc/08/22/41/721082241.db2.gz LQNZOYFVAKVDQC-VJBWXMMDSA-N 0 3 427.556 3.132 20 30 IGEDHN 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N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981049 722121595 /nfs/dbraw/zinc/12/15/95/722121595.db2.gz SFFPPSQKZVJCJY-QZTJIDSGSA-N 0 3 433.890 3.274 20 30 IGEDHN Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(C#C[Si](C)(C)C)c1 ZINC001164893744 721427275 /nfs/dbraw/zinc/42/72/75/721427275.db2.gz KERCKHSCMLXRQR-NOZRDPDXSA-N 0 3 440.708 3.384 20 30 IGEDHN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972443 722121312 /nfs/dbraw/zinc/12/13/12/722121312.db2.gz FOMLNKXTZFJZRQ-APWZRJJASA-N 0 3 433.890 3.274 20 30 IGEDHN N#Cc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc(Cl)n1 ZINC001164975684 722115490 /nfs/dbraw/zinc/11/54/90/722115490.db2.gz KGRSXMSKWSBAAG-VQIMIIECSA-N 0 3 433.890 3.274 20 30 IGEDHN CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985446 722133319 /nfs/dbraw/zinc/13/33/19/722133319.db2.gz ZMRGUDKPBRVHLZ-SIKLNZKXSA-N 0 3 448.571 3.060 20 30 IGEDHN CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985447 722133527 /nfs/dbraw/zinc/13/35/27/722133527.db2.gz ZMRGUDKPBRVHLZ-UGKGYDQZSA-N 0 3 448.571 3.060 20 30 IGEDHN