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0 EAADHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000268117307 265166917 /nfs/dbraw/zinc/16/69/17/265166917.db2.gz AKEPRZGWZKRUOH-GXSJLCMTSA-N -1 3 342.421 -1.155 20 0 EAADHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000268117308 265383495 /nfs/dbraw/zinc/38/34/95/265383495.db2.gz AKEPRZGWZKRUOH-KOLCDFICSA-N -1 3 342.421 -1.155 20 0 EAADHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000268117309 264790624 /nfs/dbraw/zinc/79/06/24/264790624.db2.gz AKEPRZGWZKRUOH-MWLCHTKSSA-N -1 3 342.421 -1.155 20 0 EAADHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000268117310 414825739 /nfs/dbraw/zinc/82/57/39/414825739.db2.gz AKEPRZGWZKRUOH-ONGXEEELSA-N -1 3 342.421 -1.155 20 0 EAADHM COC(=O)[C@H](C)CN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268118586 265251205 /nfs/dbraw/zinc/25/12/05/265251205.db2.gz NKSBGMQZHVGICJ-SECBINFHSA-N -1 3 332.382 -1.034 20 0 EAADHM COC(=O)[C@@H](C)CN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268118587 265294595 /nfs/dbraw/zinc/29/45/95/265294595.db2.gz NKSBGMQZHVGICJ-VIFPVBQESA-N -1 3 332.382 -1.034 20 0 EAADHM COCCN1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000268120435 265348273 /nfs/dbraw/zinc/34/82/73/265348273.db2.gz NNJBEJRSIRCMTP-LLVKDONJSA-N -1 3 345.425 -1.465 20 0 EAADHM COCCN1CC[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000268120435 265348272 /nfs/dbraw/zinc/34/82/72/265348272.db2.gz NNJBEJRSIRCMTP-LLVKDONJSA-N -1 3 345.425 -1.465 20 0 EAADHM COCCN1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000268120438 374617563 /nfs/dbraw/zinc/61/75/63/374617563.db2.gz NNJBEJRSIRCMTP-NSHDSACASA-N -1 3 345.425 -1.465 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCNC(=O)C(C)(C)C)c1 ZINC000268125145 265331765 /nfs/dbraw/zinc/33/17/65/265331765.db2.gz OFXDUQXXRSKZRU-UHFFFAOYSA-N -1 3 345.425 -1.023 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](CC(N)=O)C2)c1 ZINC000268126948 265117923 /nfs/dbraw/zinc/11/79/23/265117923.db2.gz OLBALDUINNWIGI-JTQLQIEISA-N -1 3 343.409 -1.188 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](CC(N)=O)C2)c1 ZINC000268126950 414951435 /nfs/dbraw/zinc/95/14/35/414951435.db2.gz OLBALDUINNWIGI-SNVBAGLBSA-N -1 3 343.409 -1.188 20 0 EAADHM C[C@@H](CN1CCCC1=O)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268129765 414951756 /nfs/dbraw/zinc/95/17/56/414951756.db2.gz OPQWOMYZEVKLJD-JTQLQIEISA-N -1 3 343.409 -1.175 20 0 EAADHM C[C@H](CN1CCCC1=O)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268129769 265166619 /nfs/dbraw/zinc/16/66/19/265166619.db2.gz OPQWOMYZEVKLJD-SNVBAGLBSA-N -1 3 343.409 -1.175 20 0 EAADHM COC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000268131958 265128692 /nfs/dbraw/zinc/12/86/92/265128692.db2.gz OYKBYBJUMWJVPI-JTQLQIEISA-N -1 3 332.382 -1.428 20 0 EAADHM COC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000268131961 374618285 /nfs/dbraw/zinc/61/82/85/374618285.db2.gz OYKBYBJUMWJVPI-SNVBAGLBSA-N -1 3 332.382 -1.428 20 0 EAADHM COCCN1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000268134930 265006076 /nfs/dbraw/zinc/00/60/76/265006076.db2.gz PGGBBIBPWIWTRI-UHFFFAOYSA-N -1 3 345.425 -1.511 20 0 EAADHM COC[C@@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)OC ZINC000268138626 265012917 /nfs/dbraw/zinc/01/29/17/265012917.db2.gz PJDHJBKQSCOAPI-GFCCVEGCSA-N -1 3 348.381 -1.607 20 0 EAADHM COC[C@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)OC ZINC000268138630 265212960 /nfs/dbraw/zinc/21/29/60/265212960.db2.gz PJDHJBKQSCOAPI-LBPRGKRZSA-N -1 3 348.381 -1.607 20 0 EAADHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cnn(CC(=O)OC)c1 ZINC000268142494 414951350 /nfs/dbraw/zinc/95/13/50/414951350.db2.gz JADPEFRPGWNJCE-UHFFFAOYSA-N -1 3 348.381 -1.050 20 0 EAADHM CN(CC(=O)NC1CC1)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268170301 265023631 /nfs/dbraw/zinc/02/36/31/265023631.db2.gz USPSMTBROIHIHN-UHFFFAOYSA-N -1 3 329.382 -1.565 20 0 EAADHM CNC(=O)[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268172322 414951861 /nfs/dbraw/zinc/95/18/61/414951861.db2.gz VENCWWJZRCQVCT-JTQLQIEISA-N -1 3 343.409 -1.175 20 0 EAADHM CNC(=O)[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268172325 264810827 /nfs/dbraw/zinc/81/08/27/264810827.db2.gz VENCWWJZRCQVCT-SNVBAGLBSA-N -1 3 343.409 -1.175 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCN(CCO)CC2)c1 ZINC000268172375 374617962 /nfs/dbraw/zinc/61/79/62/374617962.db2.gz VFFVMZHGFPIJGQ-UHFFFAOYSA-N -1 3 331.398 -2.165 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@H](O)C(F)(F)F)c1 ZINC000268178821 264893843 /nfs/dbraw/zinc/89/38/43/264893843.db2.gz LBZJMZDGMSZELW-LURJTMIESA-N -1 3 330.288 -1.262 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@H](O)C(F)(F)F)c1 ZINC000268178828 414951132 /nfs/dbraw/zinc/95/11/32/414951132.db2.gz LBZJMZDGMSZELW-ZCFIWIBFSA-N -1 3 330.288 -1.262 20 0 EAADHM COC(=O)[C@@]1(F)CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000268181503 414951322 /nfs/dbraw/zinc/95/13/22/414951322.db2.gz WFGJLLGARYDARX-GFCCVEGCSA-N -1 3 348.356 -1.188 20 0 EAADHM COC(=O)[C@]1(F)CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000268181506 265126182 /nfs/dbraw/zinc/12/61/82/265126182.db2.gz WFGJLLGARYDARX-LBPRGKRZSA-N -1 3 348.356 -1.188 20 0 EAADHM CNC(=O)[C@H](C)CN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268181612 414952780 /nfs/dbraw/zinc/95/27/80/414952780.db2.gz WHSUVGVZTYDQTG-SECBINFHSA-N -1 3 331.398 -1.461 20 0 EAADHM CNC(=O)[C@@H](C)CN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268181614 265186439 /nfs/dbraw/zinc/18/64/39/265186439.db2.gz WHSUVGVZTYDQTG-VIFPVBQESA-N -1 3 331.398 -1.461 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000268185838 265070855 /nfs/dbraw/zinc/07/08/55/265070855.db2.gz WTKONKKSGGZMPA-SECBINFHSA-N -1 3 329.382 -1.565 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000268185840 414951054 /nfs/dbraw/zinc/95/10/54/414951054.db2.gz WTKONKKSGGZMPA-VIFPVBQESA-N -1 3 329.382 -1.565 20 0 EAADHM COCCN(CC(=O)OC)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268188532 265111679 /nfs/dbraw/zinc/11/16/79/265111679.db2.gz XCIINPLGPCBDNL-UHFFFAOYSA-N -1 3 348.381 -1.654 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCN(C)C(=O)C2(C)C)c1 ZINC000268199778 265013148 /nfs/dbraw/zinc/01/31/48/265013148.db2.gz YNCGSMSZQHKQCD-UHFFFAOYSA-N -1 3 343.409 -1.222 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCN2CCOC2=O)c1 ZINC000268206372 265341537 /nfs/dbraw/zinc/34/15/37/265341537.db2.gz ZHBATPZDLMZVOT-UHFFFAOYSA-N -1 3 345.381 -1.343 20 0 EAADHM COC(=O)[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268208602 265221098 /nfs/dbraw/zinc/22/10/98/265221098.db2.gz ZOGHMCWEOIMASN-SECBINFHSA-N -1 3 346.365 -1.901 20 0 EAADHM COC(=O)[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268208606 265121488 /nfs/dbraw/zinc/12/14/88/265121488.db2.gz ZOGHMCWEOIMASN-VIFPVBQESA-N -1 3 346.365 -1.901 20 0 EAADHM CC(C)N1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1=O ZINC000268208749 265333720 /nfs/dbraw/zinc/33/37/20/265333720.db2.gz ZTUHPKUXAJGWOC-JTQLQIEISA-N -1 3 343.409 -1.176 20 0 EAADHM CC(C)N1C[C@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1=O ZINC000268208750 374618464 /nfs/dbraw/zinc/61/84/64/374618464.db2.gz ZTUHPKUXAJGWOC-SNVBAGLBSA-N -1 3 343.409 -1.176 20 0 EAADHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccn(CC(=O)OC)n1 ZINC000268286797 265375407 /nfs/dbraw/zinc/37/54/07/265375407.db2.gz YLUUTBHFSOKANM-UHFFFAOYSA-N -1 3 348.381 -1.050 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCSCCCO)c1 ZINC000268463973 265253243 /nfs/dbraw/zinc/25/32/43/265253243.db2.gz AAEXCNNGRGFIHE-UHFFFAOYSA-N -1 3 336.439 -1.070 20 0 EAADHM COC(=O)[C@@H](C)NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000268516480 265350269 /nfs/dbraw/zinc/35/02/69/265350269.db2.gz STSXVEBKFOJOFE-ZCFIWIBFSA-N -1 3 342.333 -1.126 20 0 EAADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCC(=O)NCCO ZINC000268575860 374621199 /nfs/dbraw/zinc/62/11/99/374621199.db2.gz CZOOHRLEKXAXOE-UHFFFAOYSA-N -1 3 334.332 -1.695 20 0 EAADHM NC(=O)COCCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000268583427 374621065 /nfs/dbraw/zinc/62/10/65/374621065.db2.gz YPZOLZCXAYYBPT-UHFFFAOYSA-N -1 3 334.332 -1.302 20 0 EAADHM O=C(CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)NCCO ZINC000268646990 265237132 /nfs/dbraw/zinc/23/71/32/265237132.db2.gz OEMCIUWARXEJLM-UHFFFAOYSA-N -1 3 346.343 -1.105 20 0 EAADHM CN(C)C(=O)CCN1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000268684817 414954892 /nfs/dbraw/zinc/95/48/92/414954892.db2.gz QGOMXWYTILXWRY-UHFFFAOYSA-N -1 3 325.369 -1.839 20 0 EAADHM CCC(=O)N1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000268705354 374621589 /nfs/dbraw/zinc/62/15/89/374621589.db2.gz LCJHLBPXANCZOI-JTQLQIEISA-N -1 3 343.409 -1.175 20 0 EAADHM CCC(=O)N1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000268705356 264830898 /nfs/dbraw/zinc/83/08/98/264830898.db2.gz LCJHLBPXANCZOI-SNVBAGLBSA-N -1 3 343.409 -1.175 20 0 EAADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000268880062 414956362 /nfs/dbraw/zinc/95/63/62/414956362.db2.gz ATUXLTUWZBTFSE-LLVKDONJSA-N -1 3 337.380 -1.697 20 0 EAADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000268880064 414955924 /nfs/dbraw/zinc/95/59/24/414955924.db2.gz ATUXLTUWZBTFSE-NSHDSACASA-N -1 3 337.380 -1.697 20 0 EAADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000268918190 265388120 /nfs/dbraw/zinc/38/81/20/265388120.db2.gz JJUBNOLLELNDLN-GFCCVEGCSA-N -1 3 349.391 -1.136 20 0 EAADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000268918191 265356377 /nfs/dbraw/zinc/35/63/77/265356377.db2.gz JJUBNOLLELNDLN-LBPRGKRZSA-N -1 3 349.391 -1.136 20 0 EAADHM CS[C@@H](CO)[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000269231530 414954537 /nfs/dbraw/zinc/95/45/37/414954537.db2.gz TUVYKNNNEAGGGT-BDAKNGLRSA-N -1 3 336.439 -1.073 20 0 EAADHM CS[C@H](CO)[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000269231532 265237436 /nfs/dbraw/zinc/23/74/36/265237436.db2.gz TUVYKNNNEAGGGT-DTWKUNHWSA-N -1 3 336.439 -1.073 20 0 EAADHM CS[C@@H](CO)[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000269231534 265114296 /nfs/dbraw/zinc/11/42/96/265114296.db2.gz TUVYKNNNEAGGGT-IUCAKERBSA-N -1 3 336.439 -1.073 20 0 EAADHM CS[C@H](CO)[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000269231536 414954842 /nfs/dbraw/zinc/95/48/42/414954842.db2.gz TUVYKNNNEAGGGT-RKDXNWHRSA-N -1 3 336.439 -1.073 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](OCCO)C2)c1 ZINC000269331942 265243531 /nfs/dbraw/zinc/24/35/31/265243531.db2.gz AMMPMPGSBHKCOL-LLVKDONJSA-N -1 3 346.409 -1.302 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](OCCO)C2)c1 ZINC000269331946 265192601 /nfs/dbraw/zinc/19/26/01/265192601.db2.gz AMMPMPGSBHKCOL-NSHDSACASA-N -1 3 346.409 -1.302 20 0 EAADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCC(=O)NC1CC1 ZINC000269370215 374621184 /nfs/dbraw/zinc/62/11/84/374621184.db2.gz RQVHHQIVOPDNHX-UHFFFAOYSA-N -1 3 330.366 -1.035 20 0 EAADHM O=C(CN1CC(=O)[N-]C1=O)N(CCO)CCOCC(F)(F)F ZINC000269484530 265007632 /nfs/dbraw/zinc/00/76/32/265007632.db2.gz LFAGDUITOFKSDS-UHFFFAOYSA-N -1 3 327.259 -1.062 20 0 EAADHM COCCNC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000269508698 374620308 /nfs/dbraw/zinc/62/03/08/374620308.db2.gz CFZLCRQRZGAFEC-UHFFFAOYSA-N -1 3 348.381 -1.551 20 0 EAADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(=O)NCCO ZINC000269514707 374620991 /nfs/dbraw/zinc/62/09/91/374620991.db2.gz XNTBKSBJMFERMC-VIFPVBQESA-N -1 3 347.368 -1.283 20 0 EAADHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)NCCO)ccc1F ZINC000269525659 265045497 /nfs/dbraw/zinc/04/54/97/265045497.db2.gz INARLFHLKNHRRQ-UHFFFAOYSA-N -1 3 333.341 -1.428 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000269547045 265381595 /nfs/dbraw/zinc/38/15/95/265381595.db2.gz FLGKNFNKNYVEGV-LLVKDONJSA-N -1 3 342.425 -2.186 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000269547046 414954380 /nfs/dbraw/zinc/95/43/80/414954380.db2.gz FLGKNFNKNYVEGV-NSHDSACASA-N -1 3 342.425 -2.186 20 0 EAADHM O=C(CN1CC(=O)[N-]C1=O)NCCNS(=O)(=O)c1cccs1 ZINC000269564833 265106534 /nfs/dbraw/zinc/10/65/34/265106534.db2.gz DWSLEVAJVXIQIK-UHFFFAOYSA-N -1 3 346.390 -1.306 20 0 EAADHM COC(=O)N1CC(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000269566392 265410799 /nfs/dbraw/zinc/41/07/99/265410799.db2.gz OTBJXQYNYZTJHP-UHFFFAOYSA-N -1 3 331.354 -1.735 20 0 EAADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCC(=O)NC1=O ZINC000269570316 265231212 /nfs/dbraw/zinc/23/12/12/265231212.db2.gz NKRWUQCHMGVGAA-SSDOTTSWSA-N -1 3 331.375 -1.052 20 0 EAADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H]1CCC(=O)NC1=O ZINC000269570317 265081262 /nfs/dbraw/zinc/08/12/62/265081262.db2.gz NKRWUQCHMGVGAA-ZETCQYMHSA-N -1 3 331.375 -1.052 20 0 EAADHM CNC(=O)C(C)(C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000269676091 265145195 /nfs/dbraw/zinc/14/51/95/265145195.db2.gz LETMSUYWQAQHHS-UHFFFAOYSA-N -1 3 331.398 -1.413 20 0 EAADHM CCNC(=O)C(C)(C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000269711575 414954434 /nfs/dbraw/zinc/95/44/34/414954434.db2.gz RSUGGVYIXPMBDR-UHFFFAOYSA-N -1 3 345.425 -1.023 20 0 EAADHM COCCN(CCOC)S(=O)(=O)[N-]Cc1cc(C(N)=O)no1 ZINC000269807172 265065439 /nfs/dbraw/zinc/06/54/39/265065439.db2.gz VODOYCZNXSGZRE-UHFFFAOYSA-N -1 3 336.370 -1.297 20 0 EAADHM COC(=O)C1CCN(S(=O)(=O)[N-]Cc2cc(C(N)=O)no2)CC1 ZINC000269813306 414955076 /nfs/dbraw/zinc/95/50/76/414955076.db2.gz WTDQGAJKISWMOH-UHFFFAOYSA-N -1 3 346.365 -1.007 20 0 EAADHM C[C@@H](CO)CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000269827187 265044961 /nfs/dbraw/zinc/04/49/61/265044961.db2.gz UDIWHGSQGUQYQO-SSDOTTSWSA-N -1 3 328.350 -1.059 20 0 EAADHM C[C@H](CO)CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000269827194 414955415 /nfs/dbraw/zinc/95/54/15/414955415.db2.gz UDIWHGSQGUQYQO-ZETCQYMHSA-N -1 3 328.350 -1.059 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC(C)(C)OC2=O)c1 ZINC000269904782 265078545 /nfs/dbraw/zinc/07/85/45/265078545.db2.gz HRFGFAVMUQANHU-MRVPVSSYSA-N -1 3 330.366 -1.091 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC(C)(C)OC2=O)c1 ZINC000269904786 414953994 /nfs/dbraw/zinc/95/39/94/414953994.db2.gz HRFGFAVMUQANHU-QMMMGPOBSA-N -1 3 330.366 -1.091 20 0 EAADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000270118809 265199893 /nfs/dbraw/zinc/19/98/93/265199893.db2.gz LUBVROALBNAXJR-JTQLQIEISA-N -1 3 328.369 -1.168 20 0 EAADHM CCN(CC)C(=O)CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270170868 414953418 /nfs/dbraw/zinc/95/34/18/414953418.db2.gz ABKPOMAGCOWYND-NSHDSACASA-N -1 3 339.396 -1.403 20 0 EAADHM CN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2ccc([O-])cc2)C1=O ZINC000270505009 265188094 /nfs/dbraw/zinc/18/80/94/265188094.db2.gz BGKAZJKHYFEEHH-UHFFFAOYSA-N -1 3 348.315 -1.341 20 0 EAADHM CN(CC(C)(CO)CO)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000270519508 414956008 /nfs/dbraw/zinc/95/60/08/414956008.db2.gz SNYNMWJPLLJGGK-UHFFFAOYSA-N -1 3 334.398 -1.852 20 0 EAADHM CC[C@@H](C)NC(=O)CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270572766 265221491 /nfs/dbraw/zinc/22/14/91/265221491.db2.gz BYHQDYPLACEIEK-MNOVXSKESA-N -1 3 339.396 -1.357 20 0 EAADHM CC[C@H](C)NC(=O)CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270572771 414956066 /nfs/dbraw/zinc/95/60/66/414956066.db2.gz BYHQDYPLACEIEK-QWRGUYRKSA-N -1 3 339.396 -1.357 20 0 EAADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n[nH]1 ZINC000270604040 265221818 /nfs/dbraw/zinc/22/18/18/265221818.db2.gz WMNJNQAMOLPBRH-SSDOTTSWSA-N -1 3 342.381 -1.196 20 0 EAADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n[nH]1 ZINC000270604043 374619819 /nfs/dbraw/zinc/61/98/19/374619819.db2.gz WMNJNQAMOLPBRH-ZETCQYMHSA-N -1 3 342.381 -1.196 20 0 EAADHM COC(=O)C[C@H](C)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270710466 265270980 /nfs/dbraw/zinc/27/09/80/265270980.db2.gz BPYZFPWIHCRITG-UWVGGRQHSA-N -1 3 326.353 -1.320 20 0 EAADHM COC(=O)C[C@@H](C)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270710469 265206587 /nfs/dbraw/zinc/20/65/87/265206587.db2.gz BPYZFPWIHCRITG-ZJUUUORDSA-N -1 3 326.353 -1.320 20 0 EAADHM COC(=O)CN(CCN1CCOCC1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270720227 265136613 /nfs/dbraw/zinc/13/66/13/265136613.db2.gz KKQZWSGQQCLXJJ-JTQLQIEISA-N -1 3 342.352 -2.082 20 0 EAADHM CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270773915 414954620 /nfs/dbraw/zinc/95/46/20/414954620.db2.gz MKXHITLNKWIDNO-NSHDSACASA-N -1 3 339.396 -1.403 20 0 EAADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270880516 414854217 /nfs/dbraw/zinc/85/42/17/414854217.db2.gz OSRSICDKSKFYKS-QWRGUYRKSA-N -1 3 337.380 -1.651 20 0 EAADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270880520 265292966 /nfs/dbraw/zinc/29/29/66/265292966.db2.gz OSRSICDKSKFYKS-WDEREUQCSA-N -1 3 337.380 -1.651 20 0 EAADHM CCC[C@H]1C(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000270938727 265243493 /nfs/dbraw/zinc/24/34/93/265243493.db2.gz XFSALVOTHJLZJD-JTQLQIEISA-N -1 3 343.409 -1.175 20 0 EAADHM CCC[C@@H]1C(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000270938728 265360794 /nfs/dbraw/zinc/36/07/94/265360794.db2.gz XFSALVOTHJLZJD-SNVBAGLBSA-N -1 3 343.409 -1.175 20 0 EAADHM CC(C)C(=O)NCCN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000270996343 374621245 /nfs/dbraw/zinc/62/12/45/374621245.db2.gz FXCFLJFPYFXXIC-UHFFFAOYSA-N -1 3 345.425 -1.071 20 0 EAADHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H](O)C(=O)OCc1ccccc1 ZINC000271284406 265112903 /nfs/dbraw/zinc/11/29/03/265112903.db2.gz CXCZFYSKAMWLLI-LLVKDONJSA-N -1 3 335.316 -1.241 20 0 EAADHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H](O)C(=O)OCc1ccccc1 ZINC000271284409 414958571 /nfs/dbraw/zinc/95/85/71/414958571.db2.gz CXCZFYSKAMWLLI-NSHDSACASA-N -1 3 335.316 -1.241 20 0 EAADHM COc1n[n-]c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC000271287513 414956730 /nfs/dbraw/zinc/95/67/30/414956730.db2.gz PIDPZCZUUFHDDH-UHFFFAOYSA-N -1 3 334.296 -1.801 20 0 EAADHM COc1nc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n[n-]1 ZINC000271287513 414956726 /nfs/dbraw/zinc/95/67/26/414956726.db2.gz PIDPZCZUUFHDDH-UHFFFAOYSA-N -1 3 334.296 -1.801 20 0 EAADHM COc1nnc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)[n-]1 ZINC000271287513 414956716 /nfs/dbraw/zinc/95/67/16/414956716.db2.gz PIDPZCZUUFHDDH-UHFFFAOYSA-N -1 3 334.296 -1.801 20 0 EAADHM CN(C)C(=O)NCCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000271306948 414958882 /nfs/dbraw/zinc/95/88/82/414958882.db2.gz KFAKRLHLEQZLIW-UHFFFAOYSA-N -1 3 332.386 -1.914 20 0 EAADHM CC(C)NC(=O)C(=O)N1CCN(CCCOC(=O)[N-]C(N)=O)CC1 ZINC000271527951 414957315 /nfs/dbraw/zinc/95/73/15/414957315.db2.gz NUZNMFGVTSVMJJ-UHFFFAOYSA-N -1 3 343.384 -1.150 20 0 EAADHM CC(C)NC(=O)C(=O)N1CCN(CCCOC(=O)N=C(N)[O-])CC1 ZINC000271527951 414957309 /nfs/dbraw/zinc/95/73/09/414957309.db2.gz NUZNMFGVTSVMJJ-UHFFFAOYSA-N -1 3 343.384 -1.150 20 0 EAADHM CC(C)NC(=O)C(=O)N1CCN(CCCOC([O-])=NC(N)=O)CC1 ZINC000271527951 414957303 /nfs/dbraw/zinc/95/73/03/414957303.db2.gz NUZNMFGVTSVMJJ-UHFFFAOYSA-N -1 3 343.384 -1.150 20 0 EAADHM COC(=O)CCN1CCN(C(=O)CN2CC(=O)[N-]C2=O)[C@@H](C)C1 ZINC000271626159 374623233 /nfs/dbraw/zinc/62/32/33/374623233.db2.gz CMMYDOQWBVITNU-JTQLQIEISA-N -1 3 326.353 -1.366 20 0 EAADHM COC(=O)CCN1CCN(C(=O)CN2CC(=O)[N-]C2=O)[C@H](C)C1 ZINC000271627430 265055766 /nfs/dbraw/zinc/05/57/66/265055766.db2.gz CMMYDOQWBVITNU-SNVBAGLBSA-N -1 3 326.353 -1.366 20 0 EAADHM COC(=O)CCN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H](C)C1 ZINC000271716903 265105555 /nfs/dbraw/zinc/10/55/55/265105555.db2.gz WCWAOCCZJGGFKR-UWVGGRQHSA-N -1 3 326.353 -1.320 20 0 EAADHM COC(=O)CCN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H](C)C1 ZINC000271716905 414958280 /nfs/dbraw/zinc/95/82/80/414958280.db2.gz WCWAOCCZJGGFKR-ZJUUUORDSA-N -1 3 326.353 -1.320 20 0 EAADHM CCOCCOC1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000271980848 414959840 /nfs/dbraw/zinc/95/98/40/414959840.db2.gz AISQTXAYBQWFPY-UHFFFAOYSA-N -1 3 346.409 -1.038 20 0 EAADHM COCCNS(=O)(=O)c1ccc(C(=O)[N-]n2cn[nH]c2=O)cc1 ZINC000272027387 265048459 /nfs/dbraw/zinc/04/84/59/265048459.db2.gz ASJMGEUAWPTWQE-UHFFFAOYSA-N -1 3 341.349 -1.120 20 0 EAADHM COCCNS(=O)(=O)c1cccc(C(=O)[N-]n2cn[nH]c2=O)c1 ZINC000272061856 414958023 /nfs/dbraw/zinc/95/80/23/414958023.db2.gz GLZSVHKXCLOUFS-UHFFFAOYSA-N -1 3 341.349 -1.120 20 0 EAADHM CN(C)C1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000272124141 265130369 /nfs/dbraw/zinc/13/03/69/265130369.db2.gz QUEJHUNCQPJKFW-UHFFFAOYSA-N -1 3 339.377 -1.031 20 0 EAADHM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN1CC(=O)[N-]C1=O ZINC000272222559 414956796 /nfs/dbraw/zinc/95/67/96/414956796.db2.gz KVINKBFCQREZPC-VIFPVBQESA-N -1 3 342.352 -1.642 20 0 EAADHM Cn1cnn(CC(=O)NCC[N-]S(=O)(=O)c2cccs2)c1=O ZINC000272353034 265063835 /nfs/dbraw/zinc/06/38/35/265063835.db2.gz QXVLIGXLMUVHHU-UHFFFAOYSA-N -1 3 345.406 -1.262 20 0 EAADHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000272413425 265301738 /nfs/dbraw/zinc/30/17/38/265301738.db2.gz FXSGTTWNWMOZFA-JTQLQIEISA-N -1 3 338.368 -1.068 20 0 EAADHM COc1nc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n[n-]1 ZINC000272413425 265301735 /nfs/dbraw/zinc/30/17/35/265301735.db2.gz FXSGTTWNWMOZFA-JTQLQIEISA-N -1 3 338.368 -1.068 20 0 EAADHM COc1nnc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[n-]1 ZINC000272413425 265301730 /nfs/dbraw/zinc/30/17/30/265301730.db2.gz FXSGTTWNWMOZFA-JTQLQIEISA-N -1 3 338.368 -1.068 20 0 EAADHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000272413428 265245216 /nfs/dbraw/zinc/24/52/16/265245216.db2.gz FXSGTTWNWMOZFA-SNVBAGLBSA-N -1 3 338.368 -1.068 20 0 EAADHM COc1nc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n[n-]1 ZINC000272413428 265245215 /nfs/dbraw/zinc/24/52/15/265245215.db2.gz FXSGTTWNWMOZFA-SNVBAGLBSA-N -1 3 338.368 -1.068 20 0 EAADHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[n-]1 ZINC000272413428 265245214 /nfs/dbraw/zinc/24/52/14/265245214.db2.gz FXSGTTWNWMOZFA-SNVBAGLBSA-N -1 3 338.368 -1.068 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC(=O)NCC2CC2)c1 ZINC000272451867 265045587 /nfs/dbraw/zinc/04/55/87/265045587.db2.gz JPHCAIJACXEGSM-UHFFFAOYSA-N -1 3 329.382 -1.659 20 0 EAADHM COC[C@@](C)(CCO)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000272568868 374623096 /nfs/dbraw/zinc/62/30/96/374623096.db2.gz YPVGPEKLBXCYBJ-GFCCVEGCSA-N -1 3 334.398 -1.398 20 0 EAADHM COC[C@](C)(CCO)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000272568870 265017750 /nfs/dbraw/zinc/01/77/50/265017750.db2.gz YPVGPEKLBXCYBJ-LBPRGKRZSA-N -1 3 334.398 -1.398 20 0 EAADHM COc1n[n-]c(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000272573191 414957923 /nfs/dbraw/zinc/95/79/23/414957923.db2.gz VNPCFOUZJUYCKX-UHFFFAOYSA-N -1 3 348.323 -1.411 20 0 EAADHM COc1nc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n[n-]1 ZINC000272573191 414957919 /nfs/dbraw/zinc/95/79/19/414957919.db2.gz VNPCFOUZJUYCKX-UHFFFAOYSA-N -1 3 348.323 -1.411 20 0 EAADHM COc1nnc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)[n-]1 ZINC000272573191 414957914 /nfs/dbraw/zinc/95/79/14/414957914.db2.gz VNPCFOUZJUYCKX-UHFFFAOYSA-N -1 3 348.323 -1.411 20 0 EAADHM Cc1ccc(C(=O)NCCC(=O)N(CC(N)=O)CC(N)=O)c([O-])c1 ZINC000272600137 414957709 /nfs/dbraw/zinc/95/77/09/414957709.db2.gz KNVDKUVPZCPHKK-UHFFFAOYSA-N -1 3 336.348 -1.380 20 0 EAADHM O=C(C[N-]S(=O)(=O)c1cccs1)NCCN1CCNC(=O)C1 ZINC000272665785 414958322 /nfs/dbraw/zinc/95/83/22/414958322.db2.gz IXTRJMWLGMUMEO-UHFFFAOYSA-N -1 3 346.434 -1.426 20 0 EAADHM O=C1CN(CC[N-]S(=O)(=O)c2cccc3nonc32)CCN1 ZINC000272683717 414961851 /nfs/dbraw/zinc/96/18/51/414961851.db2.gz NVOKAQVXLSEAOZ-UHFFFAOYSA-N -1 3 325.350 -1.067 20 0 EAADHM C[N-]S(=O)(=O)c1cc(C(=O)NCCN2CCNC(=O)C2)c(C)o1 ZINC000272691269 414961548 /nfs/dbraw/zinc/96/15/48/414961548.db2.gz FPFWDPKXCHTSJO-UHFFFAOYSA-N -1 3 344.393 -1.342 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCN2CCNC(=O)C2)c1 ZINC000272791346 374624254 /nfs/dbraw/zinc/62/42/54/374624254.db2.gz TXXQYNUYANGYSL-UHFFFAOYSA-N -1 3 344.397 -2.754 20 0 EAADHM CC(C)N1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1=O ZINC000272991523 374623291 /nfs/dbraw/zinc/62/32/91/374623291.db2.gz NAPKAFAYAHFGBD-UHFFFAOYSA-N -1 3 343.409 -1.222 20 0 EAADHM CNC(=O)[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000273048705 265194595 /nfs/dbraw/zinc/19/45/95/265194595.db2.gz FAJSWEZNYOORPH-SECBINFHSA-N -1 3 347.418 -1.000 20 0 EAADHM CNC(=O)[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000273048708 374624361 /nfs/dbraw/zinc/62/43/61/374624361.db2.gz FAJSWEZNYOORPH-VIFPVBQESA-N -1 3 347.418 -1.000 20 0 EAADHM CNC(=O)[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000273120052 414961429 /nfs/dbraw/zinc/96/14/29/414961429.db2.gz PLRDGSOXPBOEDI-SECBINFHSA-N -1 3 345.381 -2.328 20 0 EAADHM CNC(=O)[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000273120053 374624103 /nfs/dbraw/zinc/62/41/03/374624103.db2.gz PLRDGSOXPBOEDI-VIFPVBQESA-N -1 3 345.381 -2.328 20 0 EAADHM COC(=O)CCN(CC(OC)OC)C(=O)CN1CC(=O)[N-]C1=O ZINC000273171581 265039356 /nfs/dbraw/zinc/03/93/56/265039356.db2.gz MOEBVKAEEFEEQV-UHFFFAOYSA-N -1 3 331.325 -1.451 20 0 EAADHM CC(CO)(CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000273190371 265207052 /nfs/dbraw/zinc/20/70/52/265207052.db2.gz PQHVSBGTMRHJEA-UHFFFAOYSA-N -1 3 336.142 -1.429 20 0 EAADHM CCN1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1=O ZINC000273315632 265097368 /nfs/dbraw/zinc/09/73/68/265097368.db2.gz PWBDUSCCYHIVJD-UHFFFAOYSA-N -1 3 329.382 -1.611 20 0 EAADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)OC)ccc1F ZINC000273456694 265383055 /nfs/dbraw/zinc/38/30/55/265383055.db2.gz DMDLTHWCCGXSSL-VIFPVBQESA-N -1 3 334.325 -1.003 20 0 EAADHM CN(C[C@H](O)CO)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000273882448 414962012 /nfs/dbraw/zinc/96/20/12/414962012.db2.gz QQJKPOGRKJGMJZ-LURJTMIESA-N -1 3 336.142 -1.477 20 0 EAADHM C[C@@H](O)C[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000274347667 374626597 /nfs/dbraw/zinc/62/65/97/374626597.db2.gz JCNAQRGREPJSCA-GHMZBOCLSA-N -1 3 346.409 -1.303 20 0 EAADHM C[C@@H](O)C[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000274347669 374626767 /nfs/dbraw/zinc/62/67/67/374626767.db2.gz JCNAQRGREPJSCA-MNOVXSKESA-N -1 3 346.409 -1.303 20 0 EAADHM C[C@H](O)C[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000274347671 414963276 /nfs/dbraw/zinc/96/32/76/414963276.db2.gz JCNAQRGREPJSCA-QWRGUYRKSA-N -1 3 346.409 -1.303 20 0 EAADHM C[C@H](O)C[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000274347673 414961165 /nfs/dbraw/zinc/96/11/65/414961165.db2.gz JCNAQRGREPJSCA-WDEREUQCSA-N -1 3 346.409 -1.303 20 0 EAADHM NS(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc([O-])c2)CC1 ZINC000274429827 414963316 /nfs/dbraw/zinc/96/33/16/414963316.db2.gz FRIIXZZVEVKJJF-UHFFFAOYSA-N -1 3 342.377 -1.530 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000274461922 265307819 /nfs/dbraw/zinc/30/78/19/265307819.db2.gz OEOASSNHHHQBKM-CYBMUJFWSA-N -1 3 344.393 -1.284 20 0 EAADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000274461924 265292361 /nfs/dbraw/zinc/29/23/61/265292361.db2.gz OEOASSNHHHQBKM-ZDUSSCGKSA-N -1 3 344.393 -1.284 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCNS(C)(=O)=O)cn1 ZINC000274464517 265341829 /nfs/dbraw/zinc/34/18/29/265341829.db2.gz LAELTXTUNSEIQX-UHFFFAOYSA-N -1 3 336.395 -1.731 20 0 EAADHM CCN(CCO)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000274471228 374626463 /nfs/dbraw/zinc/62/64/63/374626463.db2.gz ZHCIODYQWSREKH-UHFFFAOYSA-N -1 3 334.398 -2.324 20 0 EAADHM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)nc1)[C@@H]1CC(=O)NC1=O ZINC000274476746 265245435 /nfs/dbraw/zinc/24/54/35/265245435.db2.gz AYBZWQPGTXOXTL-SECBINFHSA-N -1 3 340.361 -1.133 20 0 EAADHM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)nc1)[C@H]1CC(=O)NC1=O ZINC000274476748 414961335 /nfs/dbraw/zinc/96/13/35/414961335.db2.gz AYBZWQPGTXOXTL-VIFPVBQESA-N -1 3 340.361 -1.133 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cn1 ZINC000274492103 414963356 /nfs/dbraw/zinc/96/33/56/414963356.db2.gz QEPMHVPHUGWMCY-NXEZZACHSA-N -1 3 342.377 -1.248 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC000274492108 265303624 /nfs/dbraw/zinc/30/36/24/265303624.db2.gz QEPMHVPHUGWMCY-UWVGGRQHSA-N -1 3 342.377 -1.248 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cn1 ZINC000274492113 265043160 /nfs/dbraw/zinc/04/31/60/265043160.db2.gz QEPMHVPHUGWMCY-VHSXEESVSA-N -1 3 342.377 -1.248 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC000274492118 265055203 /nfs/dbraw/zinc/05/52/03/265055203.db2.gz QEPMHVPHUGWMCY-ZJUUUORDSA-N -1 3 342.377 -1.248 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CCO)CC2)cn1 ZINC000274510837 374625305 /nfs/dbraw/zinc/62/53/05/374625305.db2.gz UPFQRWMGVUDXDY-UHFFFAOYSA-N -1 3 328.394 -1.260 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCN2C(=O)CCC2=O)cn1 ZINC000274551346 414962460 /nfs/dbraw/zinc/96/24/60/414962460.db2.gz XLDJHQULIQINIY-UHFFFAOYSA-N -1 3 340.361 -1.132 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCOC)cn1 ZINC000274603971 265331846 /nfs/dbraw/zinc/33/18/46/265331846.db2.gz OMLSLYZXPURDKI-UHFFFAOYSA-N -1 3 330.366 -1.518 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCN2CCNC(=O)C2)cn1 ZINC000274665785 265341844 /nfs/dbraw/zinc/34/18/44/265341844.db2.gz HGYWMRKJSBMVKW-UHFFFAOYSA-N -1 3 341.393 -1.849 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)[C@@H](C)O)cn1 ZINC000274667818 414962551 /nfs/dbraw/zinc/96/25/51/414962551.db2.gz HPTONBCMVPKYNQ-GMSGAONNSA-N -1 3 331.350 -1.358 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)[C@H](C)O)cn1 ZINC000274669082 265242180 /nfs/dbraw/zinc/24/21/80/265242180.db2.gz HPTONBCMVPKYNQ-OIBJUYFYSA-N -1 3 331.350 -1.358 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)cn1 ZINC000274669086 264917099 /nfs/dbraw/zinc/91/70/99/264917099.db2.gz HPTONBCMVPKYNQ-XCBNKYQSSA-N -1 3 331.350 -1.358 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@H](C)O)cn1 ZINC000274669090 414960909 /nfs/dbraw/zinc/96/09/09/414960909.db2.gz HPTONBCMVPKYNQ-XVKPBYJWSA-N -1 3 331.350 -1.358 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCNC(=O)N(C)C)cn1 ZINC000274669166 265234155 /nfs/dbraw/zinc/23/41/55/265234155.db2.gz HRJGKGRANPHMDV-UHFFFAOYSA-N -1 3 329.382 -1.009 20 0 EAADHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCOCC2)cn1 ZINC000274681807 414960437 /nfs/dbraw/zinc/96/04/37/414960437.db2.gz JVYMTCIDDLBENA-UHFFFAOYSA-N -1 3 342.377 -1.422 20 0 EAADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000275134682 414962283 /nfs/dbraw/zinc/96/22/83/414962283.db2.gz KKEVZCPZADRYRC-UHFFFAOYSA-N -1 3 345.381 -1.288 20 0 EAADHM C[C@H](O)CN1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000275156911 374625234 /nfs/dbraw/zinc/62/52/34/374625234.db2.gz WIWVHWZNAPXZHV-NSHDSACASA-N -1 3 345.425 -1.777 20 0 EAADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)C(=O)OC)ccc1F ZINC000275172778 265257428 /nfs/dbraw/zinc/25/74/28/265257428.db2.gz DMDLTHWCCGXSSL-SECBINFHSA-N -1 3 334.325 -1.003 20 0 EAADHM CCOC(=O)CN(CC(N)=O)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000275191851 414962876 /nfs/dbraw/zinc/96/28/76/414962876.db2.gz YQXHZACAFLFQIQ-UHFFFAOYSA-N -1 3 337.332 -1.001 20 0 EAADHM COC(=O)C1(CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000275251568 265171055 /nfs/dbraw/zinc/17/10/55/265171055.db2.gz IORDGOOPHCVYKJ-UHFFFAOYSA-N -1 3 330.366 -1.232 20 0 EAADHM COCCO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000275385914 414965345 /nfs/dbraw/zinc/96/53/45/414965345.db2.gz BLDFEJAWXCAROL-LLVKDONJSA-N -1 3 346.409 -1.038 20 0 EAADHM COCCO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000275385923 374626504 /nfs/dbraw/zinc/62/65/04/374626504.db2.gz 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Cn1[nH]cnc1=NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822714133 583340105 /nfs/dbraw/zinc/34/01/05/583340105.db2.gz GXUXEGRCLDZUPQ-UHFFFAOYSA-N -1 3 327.308 -1.214 20 0 EAADHM Cn1[nH]cnc1=NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822714133 583340101 /nfs/dbraw/zinc/34/01/01/583340101.db2.gz GXUXEGRCLDZUPQ-UHFFFAOYSA-N -1 3 327.308 -1.214 20 0 EAADHM NC(=O)COCCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822868498 583340587 /nfs/dbraw/zinc/34/05/87/583340587.db2.gz AKWIWEGLVWQIGB-UHFFFAOYSA-N -1 3 340.365 -1.212 20 0 EAADHM NC(=O)COCCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822868498 583340584 /nfs/dbraw/zinc/34/05/84/583340584.db2.gz AKWIWEGLVWQIGB-UHFFFAOYSA-N -1 3 340.365 -1.212 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822868960 583340539 /nfs/dbraw/zinc/34/05/39/583340539.db2.gz KGTDARMPCJDFJA-UHFFFAOYSA-N -1 3 326.338 -1.353 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822868960 583340536 /nfs/dbraw/zinc/34/05/36/583340536.db2.gz KGTDARMPCJDFJA-UHFFFAOYSA-N -1 3 326.338 -1.353 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822869157 583340676 /nfs/dbraw/zinc/34/06/76/583340676.db2.gz PJJAGOGIECWTFF-UHFFFAOYSA-N -1 3 326.338 -1.353 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822869157 583340674 /nfs/dbraw/zinc/34/06/74/583340674.db2.gz PJJAGOGIECWTFF-UHFFFAOYSA-N -1 3 326.338 -1.353 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822869439 583340510 /nfs/dbraw/zinc/34/05/10/583340510.db2.gz VCPHCYOSWDUVEE-UHFFFAOYSA-N -1 3 344.328 -1.214 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822869439 583340507 /nfs/dbraw/zinc/34/05/07/583340507.db2.gz VCPHCYOSWDUVEE-UHFFFAOYSA-N -1 3 344.328 -1.214 20 0 EAADHM NC(=O)COCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822869521 583340629 /nfs/dbraw/zinc/34/06/29/583340629.db2.gz YRUGIBFKUHNURA-UHFFFAOYSA-N -1 3 347.335 -1.785 20 0 EAADHM NC(=O)COCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822869521 583340627 /nfs/dbraw/zinc/34/06/27/583340627.db2.gz YRUGIBFKUHNURA-UHFFFAOYSA-N -1 3 347.335 -1.785 20 0 EAADHM NC(=O)Cn1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000822873407 583340379 /nfs/dbraw/zinc/34/03/79/583340379.db2.gz AEQYHAGAZPEORD-UHFFFAOYSA-N -1 3 327.308 -1.127 20 0 EAADHM NC(=O)Cn1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000822873407 583340376 /nfs/dbraw/zinc/34/03/76/583340376.db2.gz AEQYHAGAZPEORD-UHFFFAOYSA-N -1 3 327.308 -1.127 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822873760 583340371 /nfs/dbraw/zinc/34/03/71/583340371.db2.gz IEDNXRGGEMTJAJ-UHFFFAOYSA-N -1 3 333.308 -1.053 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000822873760 583340368 /nfs/dbraw/zinc/34/03/68/583340368.db2.gz IEDNXRGGEMTJAJ-UHFFFAOYSA-N -1 3 333.308 -1.053 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822873776 583340707 /nfs/dbraw/zinc/34/07/07/583340707.db2.gz IWDXKXLPVNQJCB-UHFFFAOYSA-N -1 3 333.308 -1.053 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822873776 583340704 /nfs/dbraw/zinc/34/07/04/583340704.db2.gz IWDXKXLPVNQJCB-UHFFFAOYSA-N -1 3 333.308 -1.053 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822873984 583340341 /nfs/dbraw/zinc/34/03/41/583340341.db2.gz NVXIYPOMTSATOF-UHFFFAOYSA-N -1 3 332.324 -1.020 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)CNc1ccc(-c2nnn[n-]2)cc1 ZINC000822873984 583340339 /nfs/dbraw/zinc/34/03/39/583340339.db2.gz NVXIYPOMTSATOF-UHFFFAOYSA-N -1 3 332.324 -1.020 20 0 EAADHM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822874191 583340652 /nfs/dbraw/zinc/34/06/52/583340652.db2.gz UFNNSHVQOMXJNA-UHFFFAOYSA-N -1 3 339.337 -1.270 20 0 EAADHM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822874191 583340650 /nfs/dbraw/zinc/34/06/50/583340650.db2.gz UFNNSHVQOMXJNA-UHFFFAOYSA-N -1 3 339.337 -1.270 20 0 EAADHM NC(=O)NC(=O)CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822874204 583340449 /nfs/dbraw/zinc/34/04/49/583340449.db2.gz UROIBMLMVYVBQH-UHFFFAOYSA-N -1 3 339.337 -1.270 20 0 EAADHM NC(=O)NC(=O)CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822874204 583340446 /nfs/dbraw/zinc/34/04/46/583340446.db2.gz UROIBMLMVYVBQH-UHFFFAOYSA-N -1 3 339.337 -1.270 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822874269 583340440 /nfs/dbraw/zinc/34/04/40/583340440.db2.gz WXZKADVVBVJJGL-UHFFFAOYSA-N -1 3 333.308 -1.053 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822874269 583340439 /nfs/dbraw/zinc/34/04/39/583340439.db2.gz WXZKADVVBVJJGL-UHFFFAOYSA-N -1 3 333.308 -1.053 20 0 EAADHM NS(=O)(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000822894599 583340564 /nfs/dbraw/zinc/34/05/64/583340564.db2.gz CSGUVUJTIDALKG-UHFFFAOYSA-N -1 3 326.342 -1.844 20 0 EAADHM NS(=O)(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000822894599 583340561 /nfs/dbraw/zinc/34/05/61/583340561.db2.gz CSGUVUJTIDALKG-UHFFFAOYSA-N -1 3 326.342 -1.844 20 0 EAADHM NS(=O)(=O)c1ccc(N2CCCNC(=O)C2)c(-c2nn[n-]n2)c1 ZINC000822894941 583340601 /nfs/dbraw/zinc/34/06/01/583340601.db2.gz IFUGYKNXBZDFIJ-UHFFFAOYSA-N -1 3 337.365 -1.160 20 0 EAADHM NS(=O)(=O)c1ccc(N2CCCNC(=O)C2)c(-c2nnn[n-]2)c1 ZINC000822894941 583340600 /nfs/dbraw/zinc/34/06/00/583340600.db2.gz IFUGYKNXBZDFIJ-UHFFFAOYSA-N -1 3 337.365 -1.160 20 0 EAADHM NS(=O)(=O)c1ccc(N2C[C@H](O)C[C@H](O)C2)c(-c2nn[n-]n2)c1 ZINC000822895532 583340493 /nfs/dbraw/zinc/34/04/93/583340493.db2.gz SNMZONHYARVXBY-OCAPTIKFSA-N -1 3 340.365 -1.554 20 0 EAADHM NS(=O)(=O)c1ccc(N2C[C@H](O)C[C@H](O)C2)c(-c2nnn[n-]2)c1 ZINC000822895532 583340491 /nfs/dbraw/zinc/34/04/91/583340491.db2.gz SNMZONHYARVXBY-OCAPTIKFSA-N -1 3 340.365 -1.554 20 0 EAADHM NS(=O)(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000822895866 583340385 /nfs/dbraw/zinc/34/03/85/583340385.db2.gz ZOXQYRACKDFUDJ-UHFFFAOYSA-N -1 3 343.394 -1.111 20 0 EAADHM NS(=O)(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000822895866 583340384 /nfs/dbraw/zinc/34/03/84/583340384.db2.gz ZOXQYRACKDFUDJ-UHFFFAOYSA-N -1 3 343.394 -1.111 20 0 EAADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](CO)C2)c(-c2nn[n-]n2)c1 ZINC000822895903 583340555 /nfs/dbraw/zinc/34/05/55/583340555.db2.gz ZYZMUCYBPSHGOJ-MRVPVSSYSA-N -1 3 340.365 -1.288 20 0 EAADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](CO)C2)c(-c2nnn[n-]2)c1 ZINC000822895903 583340552 /nfs/dbraw/zinc/34/05/52/583340552.db2.gz ZYZMUCYBPSHGOJ-MRVPVSSYSA-N -1 3 340.365 -1.288 20 0 EAADHM NS(=O)(=O)c1ccc(N2CCO[C@H](CO)C2)c(-c2nn[n-]n2)c1 ZINC000822895908 583340475 /nfs/dbraw/zinc/34/04/75/583340475.db2.gz ZYZMUCYBPSHGOJ-QMMMGPOBSA-N -1 3 340.365 -1.288 20 0 EAADHM NS(=O)(=O)c1ccc(N2CCO[C@H](CO)C2)c(-c2nnn[n-]2)c1 ZINC000822895908 583340473 /nfs/dbraw/zinc/34/04/73/583340473.db2.gz ZYZMUCYBPSHGOJ-QMMMGPOBSA-N -1 3 340.365 -1.288 20 0 EAADHM NS(=O)(=O)c1ccc(NCCOCCO)c(-c2nn[n-]n2)c1 ZINC000822899743 583340350 /nfs/dbraw/zinc/34/03/50/583340350.db2.gz REDFZLDLUAUDNS-UHFFFAOYSA-N -1 3 328.354 -1.065 20 0 EAADHM NS(=O)(=O)c1ccc(NCCOCCO)c(-c2nnn[n-]2)c1 ZINC000822899743 583340349 /nfs/dbraw/zinc/34/03/49/583340349.db2.gz REDFZLDLUAUDNS-UHFFFAOYSA-N -1 3 328.354 -1.065 20 0 EAADHM O=C(CN1C[C@H](O)C[C@H](O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823000926 583341050 /nfs/dbraw/zinc/34/10/50/583341050.db2.gz FFDPFDAPWGMNIP-BETUJISGSA-N -1 3 332.364 -1.090 20 0 EAADHM O=C(CN1C[C@H](O)C[C@H](O)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823000926 583341047 /nfs/dbraw/zinc/34/10/47/583341047.db2.gz FFDPFDAPWGMNIP-BETUJISGSA-N -1 3 332.364 -1.090 20 0 EAADHM O=C(CN1C[C@H](O)C[C@H](O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823001587 583341159 /nfs/dbraw/zinc/34/11/59/583341159.db2.gz NFZRQPKSWKZFDW-BETUJISGSA-N -1 3 332.364 -1.090 20 0 EAADHM O=C(CN1C[C@H](O)C[C@H](O)C1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823001587 583341157 /nfs/dbraw/zinc/34/11/57/583341157.db2.gz NFZRQPKSWKZFDW-BETUJISGSA-N -1 3 332.364 -1.090 20 0 EAADHM O=C(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCCN1CCOCC1 ZINC000823001619 583340919 /nfs/dbraw/zinc/34/09/19/583340919.db2.gz OJZASGHWHUESAP-UHFFFAOYSA-N -1 3 348.367 -1.627 20 0 EAADHM O=C(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCCN1CCOCC1 ZINC000823001619 583340915 /nfs/dbraw/zinc/34/09/15/583340915.db2.gz OJZASGHWHUESAP-UHFFFAOYSA-N -1 3 348.367 -1.627 20 0 EAADHM O=C(CS(=O)(=O)C[C@@H](O)CO)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823055235 583341070 /nfs/dbraw/zinc/34/10/70/583341070.db2.gz MDWWSSPRDRQOBD-JTQLQIEISA-N -1 3 341.349 -1.427 20 0 EAADHM O=C(CS(=O)(=O)C[C@@H](O)CO)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823055235 583341066 /nfs/dbraw/zinc/34/10/66/583341066.db2.gz MDWWSSPRDRQOBD-JTQLQIEISA-N -1 3 341.349 -1.427 20 0 EAADHM O=C(CS(=O)(=O)C[C@H](O)CO)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823055236 583341139 /nfs/dbraw/zinc/34/11/39/583341139.db2.gz MDWWSSPRDRQOBD-SNVBAGLBSA-N -1 3 341.349 -1.427 20 0 EAADHM O=C(CS(=O)(=O)C[C@H](O)CO)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823055236 583341137 /nfs/dbraw/zinc/34/11/37/583341137.db2.gz MDWWSSPRDRQOBD-SNVBAGLBSA-N -1 3 341.349 -1.427 20 0 EAADHM O=C(CS(=O)(=O)CCO)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823055430 583341132 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O=S(=O)(CCN(CCO)CCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561244 583342683 /nfs/dbraw/zinc/34/26/83/583342683.db2.gz BLQGXYFDVISLFG-UHFFFAOYSA-N -1 3 341.393 -1.073 20 0 EAADHM O=S(=O)(CCN(CCO)CCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561244 583342682 /nfs/dbraw/zinc/34/26/82/583342682.db2.gz BLQGXYFDVISLFG-UHFFFAOYSA-N -1 3 341.393 -1.073 20 0 EAADHM O=S(=O)(CCN1C[C@@H](O)[C@@H](O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562478 583342564 /nfs/dbraw/zinc/34/25/64/583342564.db2.gz RWJJRKNWNLIWMP-TXEJJXNPSA-N -1 3 339.377 -1.322 20 0 EAADHM O=S(=O)(CCN1C[C@@H](O)[C@@H](O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562478 583342563 /nfs/dbraw/zinc/34/25/63/583342563.db2.gz RWJJRKNWNLIWMP-TXEJJXNPSA-N -1 3 339.377 -1.322 20 0 EAADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCn1ncnn1 ZINC000823567607 583342517 /nfs/dbraw/zinc/34/25/17/583342517.db2.gz SWYLKXDDXAAAFI-UHFFFAOYSA-N -1 3 335.353 -1.027 20 0 EAADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCCn1ncnn1 ZINC000823567607 583342515 /nfs/dbraw/zinc/34/25/15/583342515.db2.gz SWYLKXDDXAAAFI-UHFFFAOYSA-N -1 3 335.353 -1.027 20 0 EAADHM O=S(=O)(NCCn1ncnn1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823578921 583342594 /nfs/dbraw/zinc/34/25/94/583342594.db2.gz WLRZCAYSNZLFSS-UHFFFAOYSA-N -1 3 339.316 -1.029 20 0 EAADHM O=S(=O)(NCCn1ncnn1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823578921 583342591 /nfs/dbraw/zinc/34/25/91/583342591.db2.gz WLRZCAYSNZLFSS-UHFFFAOYSA-N -1 3 339.316 -1.029 20 0 EAADHM OCCOC[C@H](O)CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823722033 583343091 /nfs/dbraw/zinc/34/30/91/583343091.db2.gz JXNAVJGXBQEHOX-GFCCVEGCSA-N -1 3 349.395 -1.247 20 0 EAADHM OCCOC[C@H](O)CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823722033 583343090 /nfs/dbraw/zinc/34/30/90/583343090.db2.gz JXNAVJGXBQEHOX-GFCCVEGCSA-N -1 3 349.395 -1.247 20 0 EAADHM OCCOC[C@@H](O)CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823722034 583343231 /nfs/dbraw/zinc/34/32/31/583343231.db2.gz JXNAVJGXBQEHOX-LBPRGKRZSA-N -1 3 349.395 -1.247 20 0 EAADHM OCCOC[C@@H](O)CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823722034 583343229 /nfs/dbraw/zinc/34/32/29/583343229.db2.gz JXNAVJGXBQEHOX-LBPRGKRZSA-N -1 3 349.395 -1.247 20 0 EAADHM C[C@H](C(N)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824052760 583343446 /nfs/dbraw/zinc/34/34/46/583343446.db2.gz REFNTIIBLBLEJL-MRVPVSSYSA-N -1 3 331.336 -1.071 20 0 EAADHM C[C@H](C(N)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824052760 583343444 /nfs/dbraw/zinc/34/34/44/583343444.db2.gz REFNTIIBLBLEJL-MRVPVSSYSA-N -1 3 331.336 -1.071 20 0 EAADHM C[C@@H](C(N)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824052761 583343411 /nfs/dbraw/zinc/34/34/11/583343411.db2.gz REFNTIIBLBLEJL-QMMMGPOBSA-N -1 3 331.336 -1.071 20 0 EAADHM C[C@@H](C(N)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824052761 583343408 /nfs/dbraw/zinc/34/34/08/583343408.db2.gz REFNTIIBLBLEJL-QMMMGPOBSA-N -1 3 331.336 -1.071 20 0 EAADHM CC(C)(CO)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000824162347 583343328 /nfs/dbraw/zinc/34/33/28/583343328.db2.gz GKAAUYLXJHZBDN-UHFFFAOYSA-N -1 3 335.372 -1.627 20 0 EAADHM C[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)S(N)(=O)=O ZINC000824420414 583344040 /nfs/dbraw/zinc/34/40/40/583344040.db2.gz JRUIDWKGNCOJCJ-GMSGAONNSA-N -1 3 340.365 -1.307 20 0 EAADHM C[C@H](CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)S(N)(=O)=O ZINC000824420414 583344038 /nfs/dbraw/zinc/34/40/38/583344038.db2.gz JRUIDWKGNCOJCJ-GMSGAONNSA-N -1 3 340.365 -1.307 20 0 EAADHM C[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)S(N)(=O)=O ZINC000824420415 583344150 /nfs/dbraw/zinc/34/41/50/583344150.db2.gz JRUIDWKGNCOJCJ-OIBJUYFYSA-N -1 3 340.365 -1.307 20 0 EAADHM C[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)S(N)(=O)=O ZINC000824420415 583344147 /nfs/dbraw/zinc/34/41/47/583344147.db2.gz JRUIDWKGNCOJCJ-OIBJUYFYSA-N -1 3 340.365 -1.307 20 0 EAADHM C[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)S(N)(=O)=O ZINC000824420416 583344194 /nfs/dbraw/zinc/34/41/94/583344194.db2.gz JRUIDWKGNCOJCJ-XCBNKYQSSA-N -1 3 340.365 -1.307 20 0 EAADHM C[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)S(N)(=O)=O ZINC000824420416 583344193 /nfs/dbraw/zinc/34/41/93/583344193.db2.gz JRUIDWKGNCOJCJ-XCBNKYQSSA-N -1 3 340.365 -1.307 20 0 EAADHM C[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)S(N)(=O)=O ZINC000824420417 583344081 /nfs/dbraw/zinc/34/40/81/583344081.db2.gz JRUIDWKGNCOJCJ-XVKPBYJWSA-N -1 3 340.365 -1.307 20 0 EAADHM C[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)S(N)(=O)=O ZINC000824420417 583344078 /nfs/dbraw/zinc/34/40/78/583344078.db2.gz JRUIDWKGNCOJCJ-XVKPBYJWSA-N -1 3 340.365 -1.307 20 0 EAADHM C[C@H](CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)S(N)(=O)=O ZINC000824422427 583344190 /nfs/dbraw/zinc/34/41/90/583344190.db2.gz ZPHGIJBMFFVRED-SSDOTTSWSA-N -1 3 340.369 -1.533 20 0 EAADHM C[C@H](CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)S(N)(=O)=O ZINC000824422427 583344189 /nfs/dbraw/zinc/34/41/89/583344189.db2.gz ZPHGIJBMFFVRED-SSDOTTSWSA-N -1 3 340.369 -1.533 20 0 EAADHM C[C@@H](CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)S(N)(=O)=O ZINC000824422428 583344108 /nfs/dbraw/zinc/34/41/08/583344108.db2.gz ZPHGIJBMFFVRED-ZETCQYMHSA-N -1 3 340.369 -1.533 20 0 EAADHM C[C@@H](CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)S(N)(=O)=O ZINC000824422428 583344107 /nfs/dbraw/zinc/34/41/07/583344107.db2.gz ZPHGIJBMFFVRED-ZETCQYMHSA-N -1 3 340.369 -1.533 20 0 EAADHM C[C@@H](O)C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000824677322 583344559 /nfs/dbraw/zinc/34/45/59/583344559.db2.gz DDSRZWHJZOYXBK-SECBINFHSA-N -1 3 333.352 -1.130 20 0 EAADHM C[C@@H](O)C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000824677322 583344556 /nfs/dbraw/zinc/34/45/56/583344556.db2.gz DDSRZWHJZOYXBK-SECBINFHSA-N -1 3 333.352 -1.130 20 0 EAADHM C[C@H](O)C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000824677323 583344525 /nfs/dbraw/zinc/34/45/25/583344525.db2.gz DDSRZWHJZOYXBK-VIFPVBQESA-N -1 3 333.352 -1.130 20 0 EAADHM C[C@H](O)C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000824677323 583344522 /nfs/dbraw/zinc/34/45/22/583344522.db2.gz DDSRZWHJZOYXBK-VIFPVBQESA-N -1 3 333.352 -1.130 20 0 EAADHM C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824679107 583344581 /nfs/dbraw/zinc/34/45/81/583344581.db2.gz QNTWBIOCARCUBT-SECBINFHSA-N -1 3 331.336 -1.073 20 0 EAADHM C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824679107 583344579 /nfs/dbraw/zinc/34/45/79/583344579.db2.gz QNTWBIOCARCUBT-SECBINFHSA-N -1 3 331.336 -1.073 20 0 EAADHM C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824679112 583344443 /nfs/dbraw/zinc/34/44/43/583344443.db2.gz QNTWBIOCARCUBT-VIFPVBQESA-N -1 3 331.336 -1.073 20 0 EAADHM C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824679112 583344440 /nfs/dbraw/zinc/34/44/40/583344440.db2.gz QNTWBIOCARCUBT-VIFPVBQESA-N -1 3 331.336 -1.073 20 0 EAADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)NCCO ZINC000824730585 583344648 /nfs/dbraw/zinc/34/46/48/583344648.db2.gz PAJZBQXPBOELNU-SECBINFHSA-N -1 3 334.336 -1.141 20 0 EAADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)NCCO ZINC000824730585 583344645 /nfs/dbraw/zinc/34/46/45/583344645.db2.gz PAJZBQXPBOELNU-SECBINFHSA-N -1 3 334.336 -1.141 20 0 EAADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)NCCO ZINC000824730586 583344613 /nfs/dbraw/zinc/34/46/13/583344613.db2.gz PAJZBQXPBOELNU-VIFPVBQESA-N -1 3 334.336 -1.141 20 0 EAADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)NCCO ZINC000824730586 583344610 /nfs/dbraw/zinc/34/46/10/583344610.db2.gz PAJZBQXPBOELNU-VIFPVBQESA-N -1 3 334.336 -1.141 20 0 EAADHM C[C@@H]1[C@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCN1C ZINC000824858591 583344994 /nfs/dbraw/zinc/34/49/94/583344994.db2.gz KSQDNFLHWGQOSF-BDAKNGLRSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1[C@H](C)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCN1C ZINC000824858591 583344993 /nfs/dbraw/zinc/34/49/93/583344993.db2.gz KSQDNFLHWGQOSF-BDAKNGLRSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1[C@H](C)N(C)CCN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824858593 583345067 /nfs/dbraw/zinc/34/50/67/583345067.db2.gz KSQDNFLHWGQOSF-DTWKUNHWSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1[C@H](C)N(C)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824858593 583345066 /nfs/dbraw/zinc/34/50/66/583345066.db2.gz KSQDNFLHWGQOSF-DTWKUNHWSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@H]1[C@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCN1C ZINC000824858595 583344953 /nfs/dbraw/zinc/34/49/53/583344953.db2.gz KSQDNFLHWGQOSF-IUCAKERBSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@H]1[C@H](C)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCN1C ZINC000824858595 583344951 /nfs/dbraw/zinc/34/49/51/583344951.db2.gz KSQDNFLHWGQOSF-IUCAKERBSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1[C@@H](C)N(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCN1C ZINC000824858598 583345125 /nfs/dbraw/zinc/34/51/25/583345125.db2.gz KSQDNFLHWGQOSF-RKDXNWHRSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1[C@@H](C)N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCN1C ZINC000824858598 583345122 /nfs/dbraw/zinc/34/51/22/583345122.db2.gz KSQDNFLHWGQOSF-RKDXNWHRSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H](C)CN1C ZINC000824992029 583345546 /nfs/dbraw/zinc/34/55/46/583345546.db2.gz IYLSYHASPJHVTD-BDAKNGLRSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H](C)CN1C ZINC000824992029 583345542 /nfs/dbraw/zinc/34/55/42/583345542.db2.gz IYLSYHASPJHVTD-BDAKNGLRSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1CN(C)[C@@H](C)CN1c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824992031 583345433 /nfs/dbraw/zinc/34/54/33/583345433.db2.gz IYLSYHASPJHVTD-DTWKUNHWSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1CN(C)[C@@H](C)CN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824992031 583345430 /nfs/dbraw/zinc/34/54/30/583345430.db2.gz IYLSYHASPJHVTD-DTWKUNHWSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H](C)CN1C ZINC000824992037 583345334 /nfs/dbraw/zinc/34/53/34/583345334.db2.gz IYLSYHASPJHVTD-IUCAKERBSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H](C)CN1C ZINC000824992037 583345331 /nfs/dbraw/zinc/34/53/31/583345331.db2.gz IYLSYHASPJHVTD-IUCAKERBSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@H](C)CN1C ZINC000824992039 583345570 /nfs/dbraw/zinc/34/55/70/583345570.db2.gz IYLSYHASPJHVTD-RKDXNWHRSA-N -1 3 334.384 -1.207 20 0 EAADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H](C)CN1C ZINC000824992039 583345566 /nfs/dbraw/zinc/34/55/66/583345566.db2.gz IYLSYHASPJHVTD-RKDXNWHRSA-N -1 3 334.384 -1.207 20 0 EAADHM CC[C@@H](CO)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000825120429 583345353 /nfs/dbraw/zinc/34/53/53/583345353.db2.gz JVJTUZDWEUAFGS-JTQLQIEISA-N -1 3 335.372 -1.627 20 0 EAADHM CC[C@H](CO)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000825120432 583345304 /nfs/dbraw/zinc/34/53/04/583345304.db2.gz JVJTUZDWEUAFGS-SNVBAGLBSA-N -1 3 335.372 -1.627 20 0 EAADHM CCN1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000825464415 583346705 /nfs/dbraw/zinc/34/67/05/583346705.db2.gz COFMBBWBPGURFX-SECBINFHSA-N -1 3 334.384 -1.206 20 0 EAADHM CCN1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000825464423 583346819 /nfs/dbraw/zinc/34/68/19/583346819.db2.gz COFMBBWBPGURFX-VIFPVBQESA-N -1 3 334.384 -1.206 20 0 EAADHM CCOC(=O)[C@@H](CO)NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825492111 583347080 /nfs/dbraw/zinc/34/70/80/583347080.db2.gz DANOMYLLEZSEDT-SECBINFHSA-N -1 3 335.324 -1.286 20 0 EAADHM CCOC(=O)[C@@H](CO)NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825492111 583347076 /nfs/dbraw/zinc/34/70/76/583347076.db2.gz DANOMYLLEZSEDT-SECBINFHSA-N -1 3 335.324 -1.286 20 0 EAADHM CCOC(=O)[C@H](CO)NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825492115 583347155 /nfs/dbraw/zinc/34/71/55/583347155.db2.gz DANOMYLLEZSEDT-VIFPVBQESA-N -1 3 335.324 -1.286 20 0 EAADHM CCOC(=O)[C@H](CO)NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825492115 583347151 /nfs/dbraw/zinc/34/71/51/583347151.db2.gz DANOMYLLEZSEDT-VIFPVBQESA-N -1 3 335.324 -1.286 20 0 EAADHM CCOC(=O)[C@@H](CO)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825494056 583347313 /nfs/dbraw/zinc/34/73/13/583347313.db2.gz ROMFBPDMSLUSTQ-GHMZBOCLSA-N -1 3 335.320 -1.060 20 0 EAADHM CCOC(=O)[C@@H](CO)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825494056 583347311 /nfs/dbraw/zinc/34/73/11/583347311.db2.gz ROMFBPDMSLUSTQ-GHMZBOCLSA-N -1 3 335.320 -1.060 20 0 EAADHM CCOC(=O)[C@@H](CO)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825494057 583347116 /nfs/dbraw/zinc/34/71/16/583347116.db2.gz ROMFBPDMSLUSTQ-MNOVXSKESA-N -1 3 335.320 -1.060 20 0 EAADHM CCOC(=O)[C@@H](CO)NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825494057 583347113 /nfs/dbraw/zinc/34/71/13/583347113.db2.gz ROMFBPDMSLUSTQ-MNOVXSKESA-N -1 3 335.320 -1.060 20 0 EAADHM CCOC(=O)[C@H](CO)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825494058 583347297 /nfs/dbraw/zinc/34/72/97/583347297.db2.gz ROMFBPDMSLUSTQ-QWRGUYRKSA-N -1 3 335.320 -1.060 20 0 EAADHM CCOC(=O)[C@H](CO)NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825494058 583347294 /nfs/dbraw/zinc/34/72/94/583347294.db2.gz ROMFBPDMSLUSTQ-QWRGUYRKSA-N -1 3 335.320 -1.060 20 0 EAADHM CCOC(=O)[C@H](CO)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825494059 583347165 /nfs/dbraw/zinc/34/71/65/583347165.db2.gz ROMFBPDMSLUSTQ-WDEREUQCSA-N -1 3 335.320 -1.060 20 0 EAADHM CCOC(=O)[C@H](CO)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825494059 583347164 /nfs/dbraw/zinc/34/71/64/583347164.db2.gz ROMFBPDMSLUSTQ-WDEREUQCSA-N -1 3 335.320 -1.060 20 0 EAADHM CCOC(=O)c1cnn(CC(=O)N2CCNC2=O)c1-c1nnn[n-]1 ZINC000825565760 583347101 /nfs/dbraw/zinc/34/71/01/583347101.db2.gz YFQNPLOZIYJZAV-UHFFFAOYSA-N -1 3 334.296 -1.208 20 0 EAADHM CCOC(=O)c1cnn(CCN2C(=O)CNC2=O)c1-c1nnn[n-]1 ZINC000825569842 583347040 /nfs/dbraw/zinc/34/70/40/583347040.db2.gz AYWPKTAOHAAVNB-UHFFFAOYSA-N -1 3 334.296 -1.208 20 0 EAADHM CCOC(=O)c1cnn(Cc2nc(N)nc(N)n2)c1-c1nnn[n-]1 ZINC000825570082 583347245 /nfs/dbraw/zinc/34/72/45/583347245.db2.gz FHCFXFKXGJSOMS-UHFFFAOYSA-N -1 3 331.300 -1.362 20 0 EAADHM CCOC(=O)c1cnn(CCNS(C)(=O)=O)c1-c1nnn[n-]1 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CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826083396 583349420 /nfs/dbraw/zinc/34/94/20/583349420.db2.gz KNPAARSPEJKLKR-SSDOTTSWSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826083397 583349161 /nfs/dbraw/zinc/34/91/61/583349161.db2.gz KNPAARSPEJKLKR-ZETCQYMHSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826083397 583349158 /nfs/dbraw/zinc/34/91/58/583349158.db2.gz KNPAARSPEJKLKR-ZETCQYMHSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000826083627 583349254 /nfs/dbraw/zinc/34/92/54/583349254.db2.gz OZPGXHXYNVDUFC-SECBINFHSA-N -1 3 339.381 -1.031 20 0 EAADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000826083627 583349251 /nfs/dbraw/zinc/34/92/51/583349251.db2.gz OZPGXHXYNVDUFC-SECBINFHSA-N -1 3 339.381 -1.031 20 0 EAADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000826083728 583349327 /nfs/dbraw/zinc/34/93/27/583349327.db2.gz OZPGXHXYNVDUFC-VIFPVBQESA-N -1 3 339.381 -1.031 20 0 EAADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000826083728 583349325 /nfs/dbraw/zinc/34/93/25/583349325.db2.gz OZPGXHXYNVDUFC-VIFPVBQESA-N -1 3 339.381 -1.031 20 0 EAADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000826084011 583349740 /nfs/dbraw/zinc/34/97/40/583349740.db2.gz TYHSSEUBRJTDNS-MRVPVSSYSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000826084011 583349737 /nfs/dbraw/zinc/34/97/37/583349737.db2.gz TYHSSEUBRJTDNS-MRVPVSSYSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000826084012 583349786 /nfs/dbraw/zinc/34/97/86/583349786.db2.gz TYHSSEUBRJTDNS-QMMMGPOBSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000826084012 583349784 /nfs/dbraw/zinc/34/97/84/583349784.db2.gz TYHSSEUBRJTDNS-QMMMGPOBSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000826084266 583349767 /nfs/dbraw/zinc/34/97/67/583349767.db2.gz XHMBBLSXBMTKRB-MRVPVSSYSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC000826084266 583349764 /nfs/dbraw/zinc/34/97/64/583349764.db2.gz XHMBBLSXBMTKRB-MRVPVSSYSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000826084267 583349612 /nfs/dbraw/zinc/34/96/12/583349612.db2.gz XHMBBLSXBMTKRB-QMMMGPOBSA-N -1 3 325.354 -1.042 20 0 EAADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC000826084267 583349610 /nfs/dbraw/zinc/34/96/10/583349610.db2.gz XHMBBLSXBMTKRB-QMMMGPOBSA-N -1 3 325.354 -1.042 20 0 EAADHM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826104282 583349807 /nfs/dbraw/zinc/34/98/07/583349807.db2.gz TYSGQUMCFXECPZ-SECBINFHSA-N -1 3 341.349 -1.013 20 0 EAADHM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826104282 583349804 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COC(=O)[C@H](CO)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826104493 583349753 /nfs/dbraw/zinc/34/97/53/583349753.db2.gz XOSKHFNJCBGDJZ-VIFPVBQESA-N -1 3 341.349 -1.013 20 0 EAADHM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826104518 583349793 /nfs/dbraw/zinc/34/97/93/583349793.db2.gz YGZCVHYGNUOOII-SECBINFHSA-N -1 3 345.312 -1.182 20 0 EAADHM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826104518 583349792 /nfs/dbraw/zinc/34/97/92/583349792.db2.gz YGZCVHYGNUOOII-SECBINFHSA-N -1 3 345.312 -1.182 20 0 EAADHM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826104519 583349817 /nfs/dbraw/zinc/34/98/17/583349817.db2.gz YGZCVHYGNUOOII-VIFPVBQESA-N -1 3 345.312 -1.182 20 0 EAADHM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826104519 583349813 /nfs/dbraw/zinc/34/98/13/583349813.db2.gz YGZCVHYGNUOOII-VIFPVBQESA-N -1 3 345.312 -1.182 20 0 EAADHM COC(=O)CNC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826138241 583350429 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COCC(=O)N(C)CC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826147861 583351023 /nfs/dbraw/zinc/35/10/23/583351023.db2.gz OEGOSEUHOQDGIZ-UHFFFAOYSA-N -1 3 348.367 -1.105 20 0 EAADHM COCC(=O)N(C)CC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826147861 583351019 /nfs/dbraw/zinc/35/10/19/583351019.db2.gz OEGOSEUHOQDGIZ-UHFFFAOYSA-N -1 3 348.367 -1.105 20 0 EAADHM COCC(=O)N(C)CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000826147937 583350978 /nfs/dbraw/zinc/35/09/78/583350978.db2.gz RJZIEWRIFRWISA-UHFFFAOYSA-N -1 3 338.328 -1.707 20 0 EAADHM COCC(=O)N(C)CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000826147937 583350974 /nfs/dbraw/zinc/35/09/74/583350974.db2.gz RJZIEWRIFRWISA-UHFFFAOYSA-N -1 3 338.328 -1.707 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)C(N)=O ZINC000826150606 583350951 /nfs/dbraw/zinc/35/09/51/583350951.db2.gz ICJRWQXZBCIRHU-SECBINFHSA-N -1 3 340.365 -1.046 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)C(N)=O ZINC000826150606 583350947 /nfs/dbraw/zinc/35/09/47/583350947.db2.gz ICJRWQXZBCIRHU-SECBINFHSA-N -1 3 340.365 -1.046 20 0 EAADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C)C(N)=O ZINC000826150607 583350942 /nfs/dbraw/zinc/35/09/42/583350942.db2.gz ICJRWQXZBCIRHU-VIFPVBQESA-N -1 3 340.365 -1.046 20 0 EAADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C)C(N)=O ZINC000826150607 583350940 /nfs/dbraw/zinc/35/09/40/583350940.db2.gz ICJRWQXZBCIRHU-VIFPVBQESA-N -1 3 340.365 -1.046 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826150636 583351057 /nfs/dbraw/zinc/35/10/57/583351057.db2.gz IPQVIHQECJVZCS-SECBINFHSA-N -1 3 326.338 -1.355 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826150636 583351054 /nfs/dbraw/zinc/35/10/54/583351054.db2.gz IPQVIHQECJVZCS-SECBINFHSA-N -1 3 326.338 -1.355 20 0 EAADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826150637 583351014 /nfs/dbraw/zinc/35/10/14/583351014.db2.gz IPQVIHQECJVZCS-VIFPVBQESA-N -1 3 326.338 -1.355 20 0 EAADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O 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347.335 -1.787 20 0 EAADHM COC[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826151284 583351375 /nfs/dbraw/zinc/35/13/75/583351375.db2.gz YGZKGFRIBUCAOG-JTQLQIEISA-N -1 3 347.335 -1.787 20 0 EAADHM COC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826151285 583351576 /nfs/dbraw/zinc/35/15/76/583351576.db2.gz YGZKGFRIBUCAOG-SNVBAGLBSA-N -1 3 347.335 -1.787 20 0 EAADHM COC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826151285 583351574 /nfs/dbraw/zinc/35/15/74/583351574.db2.gz YGZKGFRIBUCAOG-SNVBAGLBSA-N -1 3 347.335 -1.787 20 0 EAADHM COC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)OC ZINC000826151316 583351336 /nfs/dbraw/zinc/35/13/36/583351336.db2.gz YXEBUNPPMLGWJM-SECBINFHSA-N -1 3 335.324 -1.022 20 0 EAADHM COC[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)C(=O)OC ZINC000826151316 583351335 /nfs/dbraw/zinc/35/13/35/583351335.db2.gz YXEBUNPPMLGWJM-SECBINFHSA-N -1 3 335.324 -1.022 20 0 EAADHM COC[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)OC ZINC000826151317 583351299 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COC[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826151441 583351535 /nfs/dbraw/zinc/35/15/35/583351535.db2.gz BAZDCQKPVYPPFM-QMMMGPOBSA-N -1 3 326.338 -1.355 20 0 EAADHM COC[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826151441 583351532 /nfs/dbraw/zinc/35/15/32/583351532.db2.gz BAZDCQKPVYPPFM-QMMMGPOBSA-N -1 3 326.338 -1.355 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826151786 583351407 /nfs/dbraw/zinc/35/14/07/583351407.db2.gz JSXGPYMXQRAURY-SECBINFHSA-N -1 3 326.338 -1.355 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826151786 583351405 /nfs/dbraw/zinc/35/14/05/583351405.db2.gz JSXGPYMXQRAURY-SECBINFHSA-N -1 3 326.338 -1.355 20 0 EAADHM COC[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826151787 583351677 /nfs/dbraw/zinc/35/16/77/583351677.db2.gz JSXGPYMXQRAURY-VIFPVBQESA-N -1 3 326.338 -1.355 20 0 EAADHM COC[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826151787 583351675 /nfs/dbraw/zinc/35/16/75/583351675.db2.gz JSXGPYMXQRAURY-VIFPVBQESA-N -1 3 326.338 -1.355 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C(N)=O ZINC000826152072 583351419 /nfs/dbraw/zinc/35/14/19/583351419.db2.gz PUJKOZXKKMSMJC-MRVPVSSYSA-N -1 3 340.365 -1.046 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C(N)=O ZINC000826152072 583351418 /nfs/dbraw/zinc/35/14/18/583351418.db2.gz PUJKOZXKKMSMJC-MRVPVSSYSA-N -1 3 340.365 -1.046 20 0 EAADHM COC[C@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C(N)=O ZINC000826152073 583351568 /nfs/dbraw/zinc/35/15/68/583351568.db2.gz PUJKOZXKKMSMJC-QMMMGPOBSA-N -1 3 340.365 -1.046 20 0 EAADHM COC[C@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C(N)=O ZINC000826152073 583351567 /nfs/dbraw/zinc/35/15/67/583351567.db2.gz PUJKOZXKKMSMJC-QMMMGPOBSA-N -1 3 340.365 -1.046 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(N)=O ZINC000826152196 583351361 /nfs/dbraw/zinc/35/13/61/583351361.db2.gz STHDHKXCATVKBR-SECBINFHSA-N -1 3 344.328 -1.216 20 0 EAADHM COC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(N)=O ZINC000826152196 583351359 /nfs/dbraw/zinc/35/13/59/583351359.db2.gz STHDHKXCATVKBR-SECBINFHSA-N -1 3 344.328 -1.216 20 0 EAADHM COC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(N)=O ZINC000826152197 583351441 /nfs/dbraw/zinc/35/14/41/583351441.db2.gz STHDHKXCATVKBR-VIFPVBQESA-N -1 3 344.328 -1.216 20 0 EAADHM COC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(N)=O ZINC000826152197 583351440 /nfs/dbraw/zinc/35/14/40/583351440.db2.gz STHDHKXCATVKBR-VIFPVBQESA-N -1 3 344.328 -1.216 20 0 EAADHM COCCNC(=O)CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826160123 583351390 /nfs/dbraw/zinc/35/13/90/583351390.db2.gz FYJOSZAHADUCJG-UHFFFAOYSA-N -1 3 334.340 -1.448 20 0 EAADHM COCCNC(=O)CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826160123 583351386 /nfs/dbraw/zinc/35/13/86/583351386.db2.gz FYJOSZAHADUCJG-UHFFFAOYSA-N -1 3 334.340 -1.448 20 0 EAADHM COCCNC(=O)CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826160283 583351619 /nfs/dbraw/zinc/35/16/19/583351619.db2.gz MCNIHQZFEYCHDS-GFCCVEGCSA-N -1 3 334.336 -1.221 20 0 EAADHM COCCNC(=O)CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826160283 583351615 /nfs/dbraw/zinc/35/16/15/583351615.db2.gz MCNIHQZFEYCHDS-GFCCVEGCSA-N -1 3 334.336 -1.221 20 0 EAADHM COCCNC(=O)CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826160284 583351595 /nfs/dbraw/zinc/35/15/95/583351595.db2.gz MCNIHQZFEYCHDS-LBPRGKRZSA-N -1 3 334.336 -1.221 20 0 EAADHM COCCNC(=O)CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826160284 583351592 /nfs/dbraw/zinc/35/15/92/583351592.db2.gz MCNIHQZFEYCHDS-LBPRGKRZSA-N -1 3 334.336 -1.221 20 0 EAADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CN(C)NC1=O ZINC000826174653 583351628 /nfs/dbraw/zinc/35/16/28/583351628.db2.gz DZCFRVUUKPMBAZ-SECBINFHSA-N -1 3 347.335 -1.285 20 0 EAADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CN(C)NC1=O ZINC000826174653 583351624 /nfs/dbraw/zinc/35/16/24/583351624.db2.gz DZCFRVUUKPMBAZ-SECBINFHSA-N -1 3 347.335 -1.285 20 0 EAADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CN(C)NC1=O ZINC000826174654 583351562 /nfs/dbraw/zinc/35/15/62/583351562.db2.gz DZCFRVUUKPMBAZ-VIFPVBQESA-N -1 3 347.335 -1.285 20 0 EAADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CN(C)NC1=O ZINC000826174654 583351559 /nfs/dbraw/zinc/35/15/59/583351559.db2.gz DZCFRVUUKPMBAZ-VIFPVBQESA-N -1 3 347.335 -1.285 20 0 EAADHM CS(=O)(=O)CCNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826222813 583351551 /nfs/dbraw/zinc/35/15/51/583351551.db2.gz NYVYBGHWWRZSGI-UHFFFAOYSA-N -1 3 325.354 -1.166 20 0 EAADHM CS(=O)(=O)CCNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826222813 583351548 /nfs/dbraw/zinc/35/15/48/583351548.db2.gz NYVYBGHWWRZSGI-UHFFFAOYSA-N -1 3 325.354 -1.166 20 0 EAADHM CS(=O)(=O)CCOCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826222850 583351507 /nfs/dbraw/zinc/35/15/07/583351507.db2.gz PMOOFBRUZPOBHX-UHFFFAOYSA-N -1 3 328.354 -1.014 20 0 EAADHM CS(=O)(=O)CCOCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826222850 583351505 /nfs/dbraw/zinc/35/15/05/583351505.db2.gz PMOOFBRUZPOBHX-UHFFFAOYSA-N -1 3 328.354 -1.014 20 0 EAADHM CS(=O)(=O)NCCOC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223079 583351399 /nfs/dbraw/zinc/35/13/99/583351399.db2.gz ALBNRLFSVMZVRW-JTQLQIEISA-N -1 3 341.349 -1.008 20 0 EAADHM CS(=O)(=O)NCCOC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223079 583351397 /nfs/dbraw/zinc/35/13/97/583351397.db2.gz ALBNRLFSVMZVRW-JTQLQIEISA-N -1 3 341.349 -1.008 20 0 EAADHM CS(=O)(=O)NCCOC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223080 583351309 /nfs/dbraw/zinc/35/13/09/583351309.db2.gz ALBNRLFSVMZVRW-SNVBAGLBSA-N -1 3 341.349 -1.008 20 0 EAADHM CS(=O)(=O)NCCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223080 583351307 /nfs/dbraw/zinc/35/13/07/583351307.db2.gz ALBNRLFSVMZVRW-SNVBAGLBSA-N -1 3 341.349 -1.008 20 0 EAADHM CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826223096 583351320 /nfs/dbraw/zinc/35/13/20/583351320.db2.gz BAQAYCGUWIDIJP-UHFFFAOYSA-N -1 3 325.354 -1.088 20 0 EAADHM CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826223096 583351317 /nfs/dbraw/zinc/35/13/17/583351317.db2.gz BAQAYCGUWIDIJP-UHFFFAOYSA-N -1 3 325.354 -1.088 20 0 EAADHM CS(=O)(=O)NCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223165 583351496 /nfs/dbraw/zinc/35/14/96/583351496.db2.gz CYCSVCCVHOKQQK-JTQLQIEISA-N -1 3 340.365 -1.435 20 0 EAADHM CS(=O)(=O)NCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223165 583351495 /nfs/dbraw/zinc/35/14/95/583351495.db2.gz CYCSVCCVHOKQQK-JTQLQIEISA-N -1 3 340.365 -1.435 20 0 EAADHM CS(=O)(=O)NCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223166 583351516 /nfs/dbraw/zinc/35/15/16/583351516.db2.gz CYCSVCCVHOKQQK-SNVBAGLBSA-N -1 3 340.365 -1.435 20 0 EAADHM CS(=O)(=O)NCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223166 583351512 /nfs/dbraw/zinc/35/15/12/583351512.db2.gz CYCSVCCVHOKQQK-SNVBAGLBSA-N -1 3 340.365 -1.435 20 0 EAADHM CS(=O)(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826223273 583351370 /nfs/dbraw/zinc/35/13/70/583351370.db2.gz HFNFWLCMUFUSTF-UHFFFAOYSA-N -1 3 325.354 -1.088 20 0 EAADHM CS(=O)(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826223273 583351367 /nfs/dbraw/zinc/35/13/67/583351367.db2.gz HFNFWLCMUFUSTF-UHFFFAOYSA-N -1 3 325.354 -1.088 20 0 EAADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000826223414 583351611 /nfs/dbraw/zinc/35/16/11/583351611.db2.gz LXNYKTKLIYQFRS-MRVPVSSYSA-N -1 3 325.354 -1.042 20 0 EAADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC000826223414 583351608 /nfs/dbraw/zinc/35/16/08/583351608.db2.gz LXNYKTKLIYQFRS-MRVPVSSYSA-N -1 3 325.354 -1.042 20 0 EAADHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000826223415 583351482 /nfs/dbraw/zinc/35/14/82/583351482.db2.gz LXNYKTKLIYQFRS-QMMMGPOBSA-N -1 3 325.354 -1.042 20 0 EAADHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC000826223415 583351480 /nfs/dbraw/zinc/35/14/80/583351480.db2.gz LXNYKTKLIYQFRS-QMMMGPOBSA-N -1 3 325.354 -1.042 20 0 EAADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826223691 583351667 /nfs/dbraw/zinc/35/16/67/583351667.db2.gz WKXIMKWUEARVMD-SSDOTTSWSA-N -1 3 325.354 -1.042 20 0 EAADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826223691 583351664 /nfs/dbraw/zinc/35/16/64/583351664.db2.gz WKXIMKWUEARVMD-SSDOTTSWSA-N -1 3 325.354 -1.042 20 0 EAADHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826223692 583351524 /nfs/dbraw/zinc/35/15/24/583351524.db2.gz WKXIMKWUEARVMD-ZETCQYMHSA-N -1 3 325.354 -1.042 20 0 EAADHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826223692 583351522 /nfs/dbraw/zinc/35/15/22/583351522.db2.gz WKXIMKWUEARVMD-ZETCQYMHSA-N -1 3 325.354 -1.042 20 0 EAADHM CS[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1N(C)C ZINC000826227828 583352261 /nfs/dbraw/zinc/35/22/61/583352261.db2.gz YIZMYWPIGQCPTE-BDAKNGLRSA-N -1 3 337.413 -1.038 20 0 EAADHM CS[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H]1N(C)C ZINC000826227828 583352258 /nfs/dbraw/zinc/35/22/58/583352258.db2.gz YIZMYWPIGQCPTE-BDAKNGLRSA-N -1 3 337.413 -1.038 20 0 EAADHM CS[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H]1N(C)C ZINC000826227829 583351895 /nfs/dbraw/zinc/35/18/95/583351895.db2.gz YIZMYWPIGQCPTE-DTWKUNHWSA-N -1 3 337.413 -1.038 20 0 EAADHM CS[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H]1N(C)C ZINC000826227829 583351892 /nfs/dbraw/zinc/35/18/92/583351892.db2.gz YIZMYWPIGQCPTE-DTWKUNHWSA-N -1 3 337.413 -1.038 20 0 EAADHM CS[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@@H]1N(C)C ZINC000826227830 583352162 /nfs/dbraw/zinc/35/21/62/583352162.db2.gz YIZMYWPIGQCPTE-IUCAKERBSA-N -1 3 337.413 -1.038 20 0 EAADHM CS[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@@H]1N(C)C ZINC000826227830 583352158 /nfs/dbraw/zinc/35/21/58/583352158.db2.gz YIZMYWPIGQCPTE-IUCAKERBSA-N -1 3 337.413 -1.038 20 0 EAADHM CS[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C[C@H]1N(C)C ZINC000826227831 583351812 /nfs/dbraw/zinc/35/18/12/583351812.db2.gz YIZMYWPIGQCPTE-RKDXNWHRSA-N -1 3 337.413 -1.038 20 0 EAADHM CS[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C[C@H]1N(C)C ZINC000826227831 583351811 /nfs/dbraw/zinc/35/18/11/583351811.db2.gz YIZMYWPIGQCPTE-RKDXNWHRSA-N -1 3 337.413 -1.038 20 0 EAADHM Cc1c(NC(=O)C(=O)NCCn2ncnn2)cccc1-c1nn[n-]n1 ZINC000826241139 583351921 /nfs/dbraw/zinc/35/19/21/583351921.db2.gz SSFDPEOOSHZYHL-UHFFFAOYSA-N -1 3 342.323 -1.083 20 0 EAADHM Cc1c(NC(=O)C(=O)NCCn2ncnn2)cccc1-c1nnn[n-]1 ZINC000826241139 583351918 /nfs/dbraw/zinc/35/19/18/583351918.db2.gz SSFDPEOOSHZYHL-UHFFFAOYSA-N -1 3 342.323 -1.083 20 0 EAADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 ZINC000826275421 583352203 /nfs/dbraw/zinc/35/22/03/583352203.db2.gz ZGUBKJJHCCLNHD-SECBINFHSA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 ZINC000826275421 583352199 /nfs/dbraw/zinc/35/21/99/583352199.db2.gz ZGUBKJJHCCLNHD-SECBINFHSA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1 ZINC000826275422 583352124 /nfs/dbraw/zinc/35/21/24/583352124.db2.gz ZGUBKJJHCCLNHD-VIFPVBQESA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1 ZINC000826275422 583352122 /nfs/dbraw/zinc/35/21/22/583352122.db2.gz ZGUBKJJHCCLNHD-VIFPVBQESA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCn1ncnn1 ZINC000826277269 583351940 /nfs/dbraw/zinc/35/19/40/583351940.db2.gz PHNTYJIGIIRPAA-UHFFFAOYSA-N -1 3 342.323 -1.083 20 0 EAADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCn1ncnn1 ZINC000826277269 583351937 /nfs/dbraw/zinc/35/19/37/583351937.db2.gz PHNTYJIGIIRPAA-UHFFFAOYSA-N -1 3 342.323 -1.083 20 0 EAADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000826279698 583351875 /nfs/dbraw/zinc/35/18/75/583351875.db2.gz YNBABRMIJITLFV-AOOOYVTPSA-N -1 3 325.350 -1.099 20 0 EAADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000826279698 583351873 /nfs/dbraw/zinc/35/18/73/583351873.db2.gz YNBABRMIJITLFV-AOOOYVTPSA-N -1 3 325.350 -1.099 20 0 EAADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000826280577 583351948 /nfs/dbraw/zinc/35/19/48/583351948.db2.gz HTNYNKXZKCGMOM-SECBINFHSA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1ccc(-c2nnn[n-]2)nc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000826280578 583351850 /nfs/dbraw/zinc/35/18/50/583351850.db2.gz HTNYNKXZKCGMOM-VIFPVBQESA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1cccc(NC(=O)C(=O)NCCn2ncnn2)c1-c1nn[n-]n1 ZINC000826299263 583352147 /nfs/dbraw/zinc/35/21/47/583352147.db2.gz XQEIWEJEGAXWNQ-UHFFFAOYSA-N -1 3 342.323 -1.083 20 0 EAADHM Cc1cccc(NC(=O)C(=O)NCCn2ncnn2)c1-c1nnn[n-]1 ZINC000826299263 583352143 /nfs/dbraw/zinc/35/21/43/583352143.db2.gz XQEIWEJEGAXWNQ-UHFFFAOYSA-N -1 3 342.323 -1.083 20 0 EAADHM Cc1cccc(S(=O)(=O)NCCOCC(N)=O)c1-c1nn[n-]n1 ZINC000826303374 583351969 /nfs/dbraw/zinc/35/19/69/583351969.db2.gz MDYYDSGCWCBJBN-UHFFFAOYSA-N -1 3 340.365 -1.045 20 0 EAADHM Cc1cccc(S(=O)(=O)NCCOCC(N)=O)c1-c1nnn[n-]1 ZINC000826303374 583351968 /nfs/dbraw/zinc/35/19/68/583351968.db2.gz MDYYDSGCWCBJBN-UHFFFAOYSA-N -1 3 340.365 -1.045 20 0 EAADHM Cc1ccnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826310719 583351843 /nfs/dbraw/zinc/35/18/43/583351843.db2.gz FVQNSRYTLHFSPL-SECBINFHSA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1ccnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826310719 583351842 /nfs/dbraw/zinc/35/18/42/583351842.db2.gz FVQNSRYTLHFSPL-SECBINFHSA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1ccnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826310720 583351959 /nfs/dbraw/zinc/35/19/59/583351959.db2.gz FVQNSRYTLHFSPL-VIFPVBQESA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1ccnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1-c1nnn[n-]1 ZINC000826310720 583351957 /nfs/dbraw/zinc/35/19/57/583351957.db2.gz FVQNSRYTLHFSPL-VIFPVBQESA-N -1 3 328.336 -1.283 20 0 EAADHM Cc1onc(CC(=O)NCCNC(=O)c2ccn[nH]2)c1-c1nnn[n-]1 ZINC000826347630 583352214 /nfs/dbraw/zinc/35/22/14/583352214.db2.gz YEYGGTLLKAGAHP-UHFFFAOYSA-N -1 3 345.323 -1.025 20 0 EAADHM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CN3CCN2CC3)n(C)c1=O ZINC000826355815 583352227 /nfs/dbraw/zinc/35/22/27/583352227.db2.gz OEPXNOUMQPOJGD-SECBINFHSA-N -1 3 347.383 -2.324 20 0 EAADHM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2CN3CCN2CC3)n(C)c1=O ZINC000826355815 583352226 /nfs/dbraw/zinc/35/22/26/583352226.db2.gz OEPXNOUMQPOJGD-SECBINFHSA-N -1 3 347.383 -2.324 20 0 EAADHM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CN3CCN2CC3)n(C)c1=O ZINC000826355816 583352019 /nfs/dbraw/zinc/35/20/19/583352019.db2.gz OEPXNOUMQPOJGD-VIFPVBQESA-N -1 3 347.383 -2.324 20 0 EAADHM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2CN3CCN2CC3)n(C)c1=O ZINC000826355816 583352018 /nfs/dbraw/zinc/35/20/18/583352018.db2.gz OEPXNOUMQPOJGD-VIFPVBQESA-N -1 3 347.383 -2.324 20 0 EAADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCCN1CCNC(=O)C1 ZINC000826357817 583352752 /nfs/dbraw/zinc/35/27/52/583352752.db2.gz RYDNZFYWACRLRJ-UHFFFAOYSA-N -1 3 332.368 -1.243 20 0 EAADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCCN1CCNC(=O)C1 ZINC000826357817 583352751 /nfs/dbraw/zinc/35/27/51/583352751.db2.gz RYDNZFYWACRLRJ-UHFFFAOYSA-N -1 3 332.368 -1.243 20 0 EAADHM Cn1ccnc1N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000826364393 583352745 /nfs/dbraw/zinc/35/27/45/583352745.db2.gz VDBUYFKRPUVRQZ-UHFFFAOYSA-N -1 3 343.355 -1.460 20 0 EAADHM Cn1cnn(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1=O ZINC000826365142 583352799 /nfs/dbraw/zinc/35/27/99/583352799.db2.gz CQGVCPQHTMKUKW-UHFFFAOYSA-N -1 3 342.367 -1.063 20 0 EAADHM Cn1cnn(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1=O ZINC000826365142 583352798 /nfs/dbraw/zinc/35/27/98/583352798.db2.gz CQGVCPQHTMKUKW-UHFFFAOYSA-N -1 3 342.367 -1.063 20 0 EAADHM Cn1cnn(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1=O ZINC000826365164 583352818 /nfs/dbraw/zinc/35/28/18/583352818.db2.gz DIYFETOAZKQILB-UHFFFAOYSA-N -1 3 342.367 -1.063 20 0 EAADHM Cn1cnn(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1=O ZINC000826365164 583352815 /nfs/dbraw/zinc/35/28/15/583352815.db2.gz DIYFETOAZKQILB-UHFFFAOYSA-N -1 3 342.367 -1.063 20 0 EAADHM Cn1cnn(CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000826365182 583352710 /nfs/dbraw/zinc/35/27/10/583352710.db2.gz DUGSSNNNNFVDOC-UHFFFAOYSA-N -1 3 344.335 -1.043 20 0 EAADHM Cn1cnn(CC(=O)NCCOc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000826365182 583352709 /nfs/dbraw/zinc/35/27/09/583352709.db2.gz DUGSSNNNNFVDOC-UHFFFAOYSA-N -1 3 344.335 -1.043 20 0 EAADHM Cn1cnn(CC(=O)OCCNc2ncccc2-c2nn[n-]n2)c1=O ZINC000826365252 583352531 /nfs/dbraw/zinc/35/25/31/583352531.db2.gz GUMQFDIOJTWWJI-UHFFFAOYSA-N -1 3 345.323 -1.188 20 0 EAADHM Cn1cnn(CC(=O)OCCNc2ncccc2-c2nnn[n-]2)c1=O ZINC000826365252 583352528 /nfs/dbraw/zinc/35/25/28/583352528.db2.gz GUMQFDIOJTWWJI-UHFFFAOYSA-N -1 3 345.323 -1.188 20 0 EAADHM Cn1cnn(CC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1=O ZINC000826365405 583352826 /nfs/dbraw/zinc/35/28/26/583352826.db2.gz MPKKJOSHHLTSKN-UHFFFAOYSA-N -1 3 344.339 -1.615 20 0 EAADHM Cn1cnn(CC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1=O ZINC000826365405 583352824 /nfs/dbraw/zinc/35/28/24/583352824.db2.gz MPKKJOSHHLTSKN-UHFFFAOYSA-N -1 3 344.339 -1.615 20 0 EAADHM Cn1cnn(CC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1=O ZINC000826365545 583352701 /nfs/dbraw/zinc/35/27/01/583352701.db2.gz SDUVPEIAEMHWOC-UHFFFAOYSA-N -1 3 344.339 -1.615 20 0 EAADHM Cn1cnn(CC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1=O ZINC000826365545 583352699 /nfs/dbraw/zinc/35/26/99/583352699.db2.gz SDUVPEIAEMHWOC-UHFFFAOYSA-N -1 3 344.339 -1.615 20 0 EAADHM Cn1cnn(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1=O ZINC000826365666 583352707 /nfs/dbraw/zinc/35/27/07/583352707.db2.gz XTIGWPOMPSWUHD-UHFFFAOYSA-N -1 3 342.367 -1.063 20 0 EAADHM Cn1cnn(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1=O ZINC000826365666 583352706 /nfs/dbraw/zinc/35/27/06/583352706.db2.gz XTIGWPOMPSWUHD-UHFFFAOYSA-N -1 3 342.367 -1.063 20 0 EAADHM Cn1nnnc1CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826366889 583352719 /nfs/dbraw/zinc/35/27/19/583352719.db2.gz CEKGDKNDXRQZQA-UHFFFAOYSA-N -1 3 335.353 -1.089 20 0 EAADHM Cn1nnnc1CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826366889 583352718 /nfs/dbraw/zinc/35/27/18/583352718.db2.gz CEKGDKNDXRQZQA-UHFFFAOYSA-N -1 3 335.353 -1.089 20 0 EAADHM Cn1nnnc1CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826367336 583352598 /nfs/dbraw/zinc/35/25/98/583352598.db2.gz VIAQAGHOWIFMIT-UHFFFAOYSA-N -1 3 335.353 -1.089 20 0 EAADHM Cn1nnnc1CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826367336 583352595 /nfs/dbraw/zinc/35/25/95/583352595.db2.gz VIAQAGHOWIFMIT-UHFFFAOYSA-N -1 3 335.353 -1.089 20 0 EAADHM Cn1nnnc1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826367350 583352665 /nfs/dbraw/zinc/35/26/65/583352665.db2.gz VVIMUOLSHHIQLV-UHFFFAOYSA-N -1 3 335.353 -1.089 20 0 EAADHM Cn1nnnc1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826367350 583352663 /nfs/dbraw/zinc/35/26/63/583352663.db2.gz VVIMUOLSHHIQLV-UHFFFAOYSA-N -1 3 335.353 -1.089 20 0 EAADHM Cn1nnnc1CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826367384 583352727 /nfs/dbraw/zinc/35/27/27/583352727.db2.gz XIOZUSHNPJTWIC-LLVKDONJSA-N -1 3 329.324 -1.218 20 0 EAADHM Cn1nnnc1CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826367384 583352726 /nfs/dbraw/zinc/35/27/26/583352726.db2.gz XIOZUSHNPJTWIC-LLVKDONJSA-N -1 3 329.324 -1.218 20 0 EAADHM Cn1nnnc1CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826367385 583352713 /nfs/dbraw/zinc/35/27/13/583352713.db2.gz XIOZUSHNPJTWIC-NSHDSACASA-N -1 3 329.324 -1.218 20 0 EAADHM Cn1nnnc1CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826367385 583352712 /nfs/dbraw/zinc/35/27/12/583352712.db2.gz XIOZUSHNPJTWIC-NSHDSACASA-N -1 3 329.324 -1.218 20 0 EAADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CO)CC1 ZINC000826388547 583352764 /nfs/dbraw/zinc/35/27/64/583352764.db2.gz CZYQAJQMGLABMG-CYBMUJFWSA-N -1 3 345.363 -1.470 20 0 EAADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)CO)CC1 ZINC000826388547 583352762 /nfs/dbraw/zinc/35/27/62/583352762.db2.gz CZYQAJQMGLABMG-CYBMUJFWSA-N -1 3 345.363 -1.470 20 0 EAADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CO)CC1 ZINC000826388548 583352677 /nfs/dbraw/zinc/35/26/77/583352677.db2.gz CZYQAJQMGLABMG-ZDUSSCGKSA-N -1 3 345.363 -1.470 20 0 EAADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)CO)CC1 ZINC000826388548 583352675 /nfs/dbraw/zinc/35/26/75/583352675.db2.gz CZYQAJQMGLABMG-ZDUSSCGKSA-N -1 3 345.363 -1.470 20 0 EAADHM NC(=O)[C@@H](NC[C@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388966 583352682 /nfs/dbraw/zinc/35/26/82/583352682.db2.gz NIOYNKOKAQMHBN-KBPBESRZSA-N -1 3 342.407 -1.018 20 0 EAADHM NC(=O)[C@@H](NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388967 583352721 /nfs/dbraw/zinc/35/27/21/583352721.db2.gz NIOYNKOKAQMHBN-KGLIPLIRSA-N -1 3 342.407 -1.018 20 0 EAADHM NC(=O)[C@H](NC[C@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388968 583352729 /nfs/dbraw/zinc/35/27/29/583352729.db2.gz NIOYNKOKAQMHBN-UONOGXRCSA-N -1 3 342.407 -1.018 20 0 EAADHM NC(=O)[C@H](NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388969 583352747 /nfs/dbraw/zinc/35/27/47/583352747.db2.gz NIOYNKOKAQMHBN-ZIAGYGMSSA-N -1 3 342.407 -1.018 20 0 EAADHM NC(=O)[C@H]1COCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826389520 583352724 /nfs/dbraw/zinc/35/27/24/583352724.db2.gz AEQUWJFCISCSTD-GFCCVEGCSA-N -1 3 345.363 -1.331 20 0 EAADHM NC(=O)[C@H]1COCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826389520 583352723 /nfs/dbraw/zinc/35/27/23/583352723.db2.gz AEQUWJFCISCSTD-GFCCVEGCSA-N -1 3 345.363 -1.331 20 0 EAADHM NC(=O)[C@@H]1COCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826389521 583352547 /nfs/dbraw/zinc/35/25/47/583352547.db2.gz AEQUWJFCISCSTD-LBPRGKRZSA-N -1 3 345.363 -1.331 20 0 EAADHM NC(=O)[C@@H]1COCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826389521 583352541 /nfs/dbraw/zinc/35/25/41/583352541.db2.gz AEQUWJFCISCSTD-LBPRGKRZSA-N -1 3 345.363 -1.331 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826389740 583352780 /nfs/dbraw/zinc/35/27/80/583352780.db2.gz HHSFJVDKGXOSIB-LLVKDONJSA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826389740 583352779 /nfs/dbraw/zinc/35/27/79/583352779.db2.gz HHSFJVDKGXOSIB-LLVKDONJSA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826389741 583352645 /nfs/dbraw/zinc/35/26/45/583352645.db2.gz HHSFJVDKGXOSIB-NSHDSACASA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826389741 583352644 /nfs/dbraw/zinc/35/26/44/583352644.db2.gz HHSFJVDKGXOSIB-NSHDSACASA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389753 583352768 /nfs/dbraw/zinc/35/27/68/583352768.db2.gz HQUWPKLNHSIPTD-GHMZBOCLSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389753 583352767 /nfs/dbraw/zinc/35/27/67/583352767.db2.gz HQUWPKLNHSIPTD-GHMZBOCLSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389754 583352794 /nfs/dbraw/zinc/35/27/94/583352794.db2.gz HQUWPKLNHSIPTD-MNOVXSKESA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389754 583352791 /nfs/dbraw/zinc/35/27/91/583352791.db2.gz HQUWPKLNHSIPTD-MNOVXSKESA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389755 583352787 /nfs/dbraw/zinc/35/27/87/583352787.db2.gz HQUWPKLNHSIPTD-QWRGUYRKSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389755 583352786 /nfs/dbraw/zinc/35/27/86/583352786.db2.gz HQUWPKLNHSIPTD-QWRGUYRKSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389756 583352589 /nfs/dbraw/zinc/35/25/89/583352589.db2.gz HQUWPKLNHSIPTD-WDEREUQCSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389756 583352588 /nfs/dbraw/zinc/35/25/88/583352588.db2.gz HQUWPKLNHSIPTD-WDEREUQCSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826389855 583353292 /nfs/dbraw/zinc/35/32/92/583353292.db2.gz KCEICNZMJARLKM-LLVKDONJSA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826389855 583353290 /nfs/dbraw/zinc/35/32/90/583353290.db2.gz KCEICNZMJARLKM-LLVKDONJSA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826389856 583353513 /nfs/dbraw/zinc/35/35/13/583353513.db2.gz KCEICNZMJARLKM-NSHDSACASA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826389856 583353510 /nfs/dbraw/zinc/35/35/10/583353510.db2.gz KCEICNZMJARLKM-NSHDSACASA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826389939 583353215 /nfs/dbraw/zinc/35/32/15/583353215.db2.gz LUZYIYQDQZCCTC-JTQLQIEISA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826389939 583353213 /nfs/dbraw/zinc/35/32/13/583353213.db2.gz LUZYIYQDQZCCTC-JTQLQIEISA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826389940 583353230 /nfs/dbraw/zinc/35/32/30/583353230.db2.gz LUZYIYQDQZCCTC-SNVBAGLBSA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826389940 583353227 /nfs/dbraw/zinc/35/32/27/583353227.db2.gz LUZYIYQDQZCCTC-SNVBAGLBSA-N -1 3 332.320 -1.042 20 0 EAADHM NC(=O)[C@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000826389963 583353115 /nfs/dbraw/zinc/35/31/15/583353115.db2.gz MPVKPVMRVULGEW-SECBINFHSA-N -1 3 332.324 -1.614 20 0 EAADHM NC(=O)[C@H]1CN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000826389963 583353113 /nfs/dbraw/zinc/35/31/13/583353113.db2.gz MPVKPVMRVULGEW-SECBINFHSA-N -1 3 332.324 -1.614 20 0 EAADHM NC(=O)[C@@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000826389964 583353367 /nfs/dbraw/zinc/35/33/67/583353367.db2.gz MPVKPVMRVULGEW-VIFPVBQESA-N -1 3 332.324 -1.614 20 0 EAADHM NC(=O)[C@@H]1CN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000826389964 583353364 /nfs/dbraw/zinc/35/33/64/583353364.db2.gz MPVKPVMRVULGEW-VIFPVBQESA-N -1 3 332.324 -1.614 20 0 EAADHM NC(=O)[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826390133 583353177 /nfs/dbraw/zinc/35/31/77/583353177.db2.gz QTHHGOVHZNZDRN-GHMZBOCLSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826390133 583353175 /nfs/dbraw/zinc/35/31/75/583353175.db2.gz QTHHGOVHZNZDRN-GHMZBOCLSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826390134 583353481 /nfs/dbraw/zinc/35/34/81/583353481.db2.gz QTHHGOVHZNZDRN-MNOVXSKESA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826390134 583353478 /nfs/dbraw/zinc/35/34/78/583353478.db2.gz QTHHGOVHZNZDRN-MNOVXSKESA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826390135 583353169 /nfs/dbraw/zinc/35/31/69/583353169.db2.gz QTHHGOVHZNZDRN-QWRGUYRKSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826390135 583353166 /nfs/dbraw/zinc/35/31/66/583353166.db2.gz QTHHGOVHZNZDRN-QWRGUYRKSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826390136 583353299 /nfs/dbraw/zinc/35/32/99/583353299.db2.gz QTHHGOVHZNZDRN-WDEREUQCSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826390136 583353298 /nfs/dbraw/zinc/35/32/98/583353298.db2.gz QTHHGOVHZNZDRN-WDEREUQCSA-N -1 3 332.320 -1.387 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826390159 583353489 /nfs/dbraw/zinc/35/34/89/583353489.db2.gz RGTRTNFFWCKJJW-SECBINFHSA-N -1 3 332.324 -1.614 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826390159 583353486 /nfs/dbraw/zinc/35/34/86/583353486.db2.gz RGTRTNFFWCKJJW-SECBINFHSA-N -1 3 332.324 -1.614 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826390160 583353253 /nfs/dbraw/zinc/35/32/53/583353253.db2.gz RGTRTNFFWCKJJW-VIFPVBQESA-N -1 3 332.324 -1.614 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826390160 583353250 /nfs/dbraw/zinc/35/32/50/583353250.db2.gz RGTRTNFFWCKJJW-VIFPVBQESA-N -1 3 332.324 -1.614 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826390222 583353200 /nfs/dbraw/zinc/35/32/00/583353200.db2.gz UEDBQMMZYSDVAG-LLVKDONJSA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@H]1COCCN1C(=O)CNc1ccc(-c2nnn[n-]2)cc1 ZINC000826390222 583353197 /nfs/dbraw/zinc/35/31/97/583353197.db2.gz UEDBQMMZYSDVAG-LLVKDONJSA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826390223 583353284 /nfs/dbraw/zinc/35/32/84/583353284.db2.gz UEDBQMMZYSDVAG-NSHDSACASA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@@H]1COCCN1C(=O)CNc1ccc(-c2nnn[n-]2)cc1 ZINC000826390223 583353282 /nfs/dbraw/zinc/35/32/82/583353282.db2.gz UEDBQMMZYSDVAG-NSHDSACASA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826390234 583353192 /nfs/dbraw/zinc/35/31/92/583353192.db2.gz URKSXYCRAAMGGM-LLVKDONJSA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826390234 583353190 /nfs/dbraw/zinc/35/31/90/583353190.db2.gz URKSXYCRAAMGGM-LLVKDONJSA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826390235 583353436 /nfs/dbraw/zinc/35/34/36/583353436.db2.gz URKSXYCRAAMGGM-NSHDSACASA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826390235 583353432 /nfs/dbraw/zinc/35/34/32/583353432.db2.gz URKSXYCRAAMGGM-NSHDSACASA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@H]1COCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826390304 583353344 /nfs/dbraw/zinc/35/33/44/583353344.db2.gz WHDXIVLZHMTQRL-GFCCVEGCSA-N -1 3 345.363 -1.331 20 0 EAADHM NC(=O)[C@H]1COCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826390304 583353341 /nfs/dbraw/zinc/35/33/41/583353341.db2.gz WHDXIVLZHMTQRL-GFCCVEGCSA-N -1 3 345.363 -1.331 20 0 EAADHM NC(=O)[C@@H]1COCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826390305 583353140 /nfs/dbraw/zinc/35/31/40/583353140.db2.gz WHDXIVLZHMTQRL-LBPRGKRZSA-N -1 3 345.363 -1.331 20 0 EAADHM NC(=O)[C@@H]1COCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826390305 583353138 /nfs/dbraw/zinc/35/31/38/583353138.db2.gz WHDXIVLZHMTQRL-LBPRGKRZSA-N -1 3 345.363 -1.331 20 0 EAADHM NC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826390309 583353320 /nfs/dbraw/zinc/35/33/20/583353320.db2.gz WLNRWHFJVHBDOC-AAEUAGOBSA-N -1 3 348.363 -1.208 20 0 EAADHM NC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826390309 583353317 /nfs/dbraw/zinc/35/33/17/583353317.db2.gz WLNRWHFJVHBDOC-AAEUAGOBSA-N -1 3 348.363 -1.208 20 0 EAADHM NC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826390310 583353458 /nfs/dbraw/zinc/35/34/58/583353458.db2.gz WLNRWHFJVHBDOC-DGCLKSJQSA-N -1 3 348.363 -1.208 20 0 EAADHM NC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826390310 583353454 /nfs/dbraw/zinc/35/34/54/583353454.db2.gz WLNRWHFJVHBDOC-DGCLKSJQSA-N -1 3 348.363 -1.208 20 0 EAADHM NC(=O)[C@H]1COCCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826390311 583353132 /nfs/dbraw/zinc/35/31/32/583353132.db2.gz WLNRWHFJVHBDOC-WCQYABFASA-N -1 3 348.363 -1.208 20 0 EAADHM NC(=O)[C@H]1COCCN1C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826390311 583353129 /nfs/dbraw/zinc/35/31/29/583353129.db2.gz WLNRWHFJVHBDOC-WCQYABFASA-N -1 3 348.363 -1.208 20 0 EAADHM NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826390312 583353124 /nfs/dbraw/zinc/35/31/24/583353124.db2.gz WLNRWHFJVHBDOC-YPMHNXCESA-N -1 3 348.363 -1.208 20 0 EAADHM NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826390312 583353121 /nfs/dbraw/zinc/35/31/21/583353121.db2.gz WLNRWHFJVHBDOC-YPMHNXCESA-N -1 3 348.363 -1.208 20 0 EAADHM NC(=O)[C@H]1COCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826390433 583353181 /nfs/dbraw/zinc/35/31/81/583353181.db2.gz ZUWDWFFUPKGGPK-LLVKDONJSA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@H]1COCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826390433 583353179 /nfs/dbraw/zinc/35/31/79/583353179.db2.gz ZUWDWFFUPKGGPK-LLVKDONJSA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@@H]1COCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826390434 583353207 /nfs/dbraw/zinc/35/32/07/583353207.db2.gz ZUWDWFFUPKGGPK-NSHDSACASA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@@H]1COCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826390434 583353205 /nfs/dbraw/zinc/35/32/05/583353205.db2.gz ZUWDWFFUPKGGPK-NSHDSACASA-N -1 3 331.336 -1.009 20 0 EAADHM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390827 583353399 /nfs/dbraw/zinc/35/33/99/583353399.db2.gz NJTDPOGPYADCCJ-JTQLQIEISA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390827 583353398 /nfs/dbraw/zinc/35/33/98/583353398.db2.gz NJTDPOGPYADCCJ-JTQLQIEISA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390828 583353392 /nfs/dbraw/zinc/35/33/92/583353392.db2.gz NJTDPOGPYADCCJ-SNVBAGLBSA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390828 583353388 /nfs/dbraw/zinc/35/33/88/583353388.db2.gz NJTDPOGPYADCCJ-SNVBAGLBSA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826390857 583353382 /nfs/dbraw/zinc/35/33/82/583353382.db2.gz OXRUVMBIYTYARU-JTQLQIEISA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826390857 583353379 /nfs/dbraw/zinc/35/33/79/583353379.db2.gz OXRUVMBIYTYARU-JTQLQIEISA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826390858 583353271 /nfs/dbraw/zinc/35/32/71/583353271.db2.gz OXRUVMBIYTYARU-SNVBAGLBSA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826390858 583353268 /nfs/dbraw/zinc/35/32/68/583353268.db2.gz OXRUVMBIYTYARU-SNVBAGLBSA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826391031 583353278 /nfs/dbraw/zinc/35/32/78/583353278.db2.gz USGVCVSJAJQRHA-SECBINFHSA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826391031 583353275 /nfs/dbraw/zinc/35/32/75/583353275.db2.gz USGVCVSJAJQRHA-SECBINFHSA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826391032 583353411 /nfs/dbraw/zinc/35/34/11/583353411.db2.gz USGVCVSJAJQRHA-VIFPVBQESA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826391032 583353408 /nfs/dbraw/zinc/35/34/08/583353408.db2.gz USGVCVSJAJQRHA-VIFPVBQESA-N -1 3 338.349 -1.259 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826391225 583353561 /nfs/dbraw/zinc/35/35/61/583353561.db2.gz BGVUEWWJWSFUGM-UHFFFAOYSA-N -1 3 344.328 -1.214 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826391343 583353324 /nfs/dbraw/zinc/35/33/24/583353324.db2.gz HAFBEZBYRPZZND-UHFFFAOYSA-N -1 3 344.328 -1.214 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826391442 583353223 /nfs/dbraw/zinc/35/32/23/583353223.db2.gz LEKYHERSKNVOAZ-UHFFFAOYSA-N -1 3 326.338 -1.353 20 0 EAADHM NC(=O)COCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826391442 583353222 /nfs/dbraw/zinc/35/32/22/583353222.db2.gz LEKYHERSKNVOAZ-UHFFFAOYSA-N -1 3 326.338 -1.353 20 0 EAADHM NC(=O)CN(CC(N)=O)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826391718 583353502 /nfs/dbraw/zinc/35/35/02/583353502.db2.gz YUHGKTCBGIDDQD-UHFFFAOYSA-N -1 3 337.727 -1.067 20 0 EAADHM NC(=O)CN(CC(N)=O)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826391718 583353499 /nfs/dbraw/zinc/35/34/99/583353499.db2.gz YUHGKTCBGIDDQD-UHFFFAOYSA-N -1 3 337.727 -1.067 20 0 EAADHM NC(=O)CN1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826391724 583353425 /nfs/dbraw/zinc/35/34/25/583353425.db2.gz ZHFODUMBNVMPJS-CYBMUJFWSA-N -1 3 345.363 -1.470 20 0 EAADHM NC(=O)CN1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826391724 583353421 /nfs/dbraw/zinc/35/34/21/583353421.db2.gz ZHFODUMBNVMPJS-CYBMUJFWSA-N -1 3 345.363 -1.470 20 0 EAADHM NC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826391725 583353469 /nfs/dbraw/zinc/35/34/69/583353469.db2.gz ZHFODUMBNVMPJS-ZDUSSCGKSA-N -1 3 345.363 -1.470 20 0 EAADHM NC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826391725 583353466 /nfs/dbraw/zinc/35/34/66/583353466.db2.gz ZHFODUMBNVMPJS-ZDUSSCGKSA-N -1 3 345.363 -1.470 20 0 EAADHM NC(=O)NC(=O)CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826391822 583353447 /nfs/dbraw/zinc/35/34/47/583353447.db2.gz CRVZNIXRNQMGGC-UHFFFAOYSA-N -1 3 339.337 -1.270 20 0 EAADHM NC(=O)NC(=O)CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826391822 583353444 /nfs/dbraw/zinc/35/34/44/583353444.db2.gz CRVZNIXRNQMGGC-UHFFFAOYSA-N -1 3 339.337 -1.270 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826392014 583353576 /nfs/dbraw/zinc/35/35/76/583353576.db2.gz KZYYCHGFFKAZLD-JTQLQIEISA-N -1 3 333.308 -1.399 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826392014 583353573 /nfs/dbraw/zinc/35/35/73/583353573.db2.gz KZYYCHGFFKAZLD-JTQLQIEISA-N -1 3 333.308 -1.399 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826392015 583353536 /nfs/dbraw/zinc/35/35/36/583353536.db2.gz KZYYCHGFFKAZLD-SNVBAGLBSA-N -1 3 333.308 -1.399 20 0 EAADHM NC(=O)NC(=O)CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826392015 583353532 /nfs/dbraw/zinc/35/35/32/583353532.db2.gz KZYYCHGFFKAZLD-SNVBAGLBSA-N -1 3 333.308 -1.399 20 0 EAADHM NC(=O)NC1(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826392255 583353550 /nfs/dbraw/zinc/35/35/50/583353550.db2.gz RYNHEBWPKQPSRB-UHFFFAOYSA-N -1 3 331.340 -1.009 20 0 EAADHM NC(=O)NC1(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826392255 583353547 /nfs/dbraw/zinc/35/35/47/583353547.db2.gz RYNHEBWPKQPSRB-UHFFFAOYSA-N -1 3 331.340 -1.009 20 0 EAADHM NC(=O)NC1(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000826392397 583353524 /nfs/dbraw/zinc/35/35/24/583353524.db2.gz WWRWLQOPPNJKMS-UHFFFAOYSA-N -1 3 331.340 -1.009 20 0 EAADHM NC(=O)NC1(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000826392397 583353522 /nfs/dbraw/zinc/35/35/22/583353522.db2.gz WWRWLQOPPNJKMS-UHFFFAOYSA-N -1 3 331.340 -1.009 20 0 EAADHM NC(=O)c1cnn2c1nccc2C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000826393642 583353260 /nfs/dbraw/zinc/35/32/60/583353260.db2.gz BVUQSHYYIONLIZ-UHFFFAOYSA-N -1 3 339.279 -1.525 20 0 EAADHM NS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826394197 583353311 /nfs/dbraw/zinc/35/33/11/583353311.db2.gz AVQOEEXCLDBZCE-UHFFFAOYSA-N -1 3 326.342 -1.844 20 0 EAADHM NS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826394197 583353308 /nfs/dbraw/zinc/35/33/08/583353308.db2.gz AVQOEEXCLDBZCE-UHFFFAOYSA-N -1 3 326.342 -1.844 20 0 EAADHM NS(=O)(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826394224 583353335 /nfs/dbraw/zinc/35/33/35/583353335.db2.gz BOLMLOUATHRHHS-UHFFFAOYSA-N -1 3 326.342 -1.844 20 0 EAADHM NS(=O)(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826394224 583353332 /nfs/dbraw/zinc/35/33/32/583353332.db2.gz BOLMLOUATHRHHS-UHFFFAOYSA-N -1 3 326.342 -1.844 20 0 EAADHM NS(=O)(=O)CCN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826394320 583353358 /nfs/dbraw/zinc/35/33/58/583353358.db2.gz FTAXFJYCDKWAAK-UHFFFAOYSA-N -1 3 338.397 -1.328 20 0 EAADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC(CO)CO)cc1 ZINC000826395205 583353934 /nfs/dbraw/zinc/35/39/34/583353934.db2.gz RMFNHYRDANSTQL-UHFFFAOYSA-N -1 3 344.335 -1.282 20 0 EAADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC(CO)CO)cc1 ZINC000826395205 583353931 /nfs/dbraw/zinc/35/39/31/583353931.db2.gz RMFNHYRDANSTQL-UHFFFAOYSA-N -1 3 344.335 -1.282 20 0 EAADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)Cn1nc2ccccn2c1=O ZINC000826395361 583354130 /nfs/dbraw/zinc/35/41/30/583354130.db2.gz XYKYIIAKFJBZFG-UHFFFAOYSA-N -1 3 326.280 -1.205 20 0 EAADHM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000826395441 583354157 /nfs/dbraw/zinc/35/41/57/583354157.db2.gz BRBKCJAECDHBKM-UHFFFAOYSA-N -1 3 335.309 -1.624 20 0 EAADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000826395441 583354155 /nfs/dbraw/zinc/35/41/55/583354155.db2.gz BRBKCJAECDHBKM-UHFFFAOYSA-N -1 3 335.309 -1.624 20 0 EAADHM O=C(CN1CCN(C(=O)CO)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826410993 583353960 /nfs/dbraw/zinc/35/39/60/583353960.db2.gz GUPRSSKTCOTDPK-UHFFFAOYSA-N -1 3 345.363 -1.058 20 0 EAADHM O=C(CN1CCN(C(=O)CO)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826410993 583353956 /nfs/dbraw/zinc/35/39/56/583353956.db2.gz GUPRSSKTCOTDPK-UHFFFAOYSA-N -1 3 345.363 -1.058 20 0 EAADHM O=C(CN1CCN(C(=O)CO)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826411098 583353846 /nfs/dbraw/zinc/35/38/46/583353846.db2.gz LCDKYGNVRFGAAD-UHFFFAOYSA-N -1 3 345.363 -1.058 20 0 EAADHM O=C(CN1CCN(C(=O)CO)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826411098 583353843 /nfs/dbraw/zinc/35/38/43/583353843.db2.gz LCDKYGNVRFGAAD-UHFFFAOYSA-N -1 3 345.363 -1.058 20 0 EAADHM O=C(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCCN1CCOCC1 ZINC000826411533 583353756 /nfs/dbraw/zinc/35/37/56/583353756.db2.gz BUKNBTOJLKATSN-UHFFFAOYSA-N -1 3 348.367 -1.627 20 0 EAADHM O=C(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCCN1CCOCC1 ZINC000826411533 583353755 /nfs/dbraw/zinc/35/37/55/583353755.db2.gz BUKNBTOJLKATSN-UHFFFAOYSA-N -1 3 348.367 -1.627 20 0 EAADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@]1(O)CCOC1 ZINC000826411662 583353817 /nfs/dbraw/zinc/35/38/17/583353817.db2.gz IEVHXRFXFJRTMH-HNNXBMFYSA-N -1 3 346.347 -1.136 20 0 EAADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@]1(O)CCOC1 ZINC000826411662 583353814 /nfs/dbraw/zinc/35/38/14/583353814.db2.gz IEVHXRFXFJRTMH-HNNXBMFYSA-N -1 3 346.347 -1.136 20 0 EAADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@]1(O)CCOC1 ZINC000826411663 583353952 /nfs/dbraw/zinc/35/39/52/583353952.db2.gz IEVHXRFXFJRTMH-OAHLLOKOSA-N -1 3 346.347 -1.136 20 0 EAADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@]1(O)CCOC1 ZINC000826411663 583353950 /nfs/dbraw/zinc/35/39/50/583353950.db2.gz IEVHXRFXFJRTMH-OAHLLOKOSA-N -1 3 346.347 -1.136 20 0 EAADHM O=C(CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)NCCO ZINC000826411930 583353892 /nfs/dbraw/zinc/35/38/92/583353892.db2.gz TXONBQQFWXLACU-UHFFFAOYSA-N -1 3 326.263 -1.017 20 0 EAADHM O=C(CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)NCCO ZINC000826411930 583353890 /nfs/dbraw/zinc/35/38/90/583353890.db2.gz TXONBQQFWXLACU-UHFFFAOYSA-N -1 3 326.263 -1.017 20 0 EAADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCCN1CCOCC1 ZINC000826411946 583353732 /nfs/dbraw/zinc/35/37/32/583353732.db2.gz USOWRJKHCDEYAP-UHFFFAOYSA-N -1 3 348.367 -1.627 20 0 EAADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCCN1CCOCC1 ZINC000826411946 583353729 /nfs/dbraw/zinc/35/37/29/583353729.db2.gz USOWRJKHCDEYAP-UHFFFAOYSA-N -1 3 348.367 -1.627 20 0 EAADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCn1ncnn1 ZINC000826412010 583354140 /nfs/dbraw/zinc/35/41/40/583354140.db2.gz XZHRQQHXIMGDKD-UHFFFAOYSA-N -1 3 342.323 -1.601 20 0 EAADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCn1ncnn1 ZINC000826412010 583354137 /nfs/dbraw/zinc/35/41/37/583354137.db2.gz XZHRQQHXIMGDKD-UHFFFAOYSA-N -1 3 342.323 -1.601 20 0 EAADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCN1CCNC(=O)C1 ZINC000826412899 583353857 /nfs/dbraw/zinc/35/38/57/583353857.db2.gz IMDWDFQSRLDBHP-UHFFFAOYSA-N -1 3 344.379 -1.173 20 0 EAADHM O=C(CNc1ccc(-c2nnn[n-]2)cc1)NCCN1CCNC(=O)C1 ZINC000826412899 583353854 /nfs/dbraw/zinc/35/38/54/583353854.db2.gz IMDWDFQSRLDBHP-UHFFFAOYSA-N -1 3 344.379 -1.173 20 0 EAADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCC(=O)N1CCOCC1 ZINC000826413489 583353873 /nfs/dbraw/zinc/35/38/73/583353873.db2.gz HHAPTSPUXDWSGI-UHFFFAOYSA-N -1 3 346.351 -1.351 20 0 EAADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCC(=O)N1CCOCC1 ZINC000826413489 583353871 /nfs/dbraw/zinc/35/38/71/583353871.db2.gz HHAPTSPUXDWSGI-UHFFFAOYSA-N -1 3 346.351 -1.351 20 0 EAADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCN(CCO)CC1 ZINC000826413550 583354063 /nfs/dbraw/zinc/35/40/63/583354063.db2.gz JKRYIIQLGVRLEZ-UHFFFAOYSA-N -1 3 332.368 -1.190 20 0 EAADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCN(CCO)CC1 ZINC000826413550 583354060 /nfs/dbraw/zinc/35/40/60/583354060.db2.gz 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O=C(NCCN1CCNC(=O)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826481526 583354442 /nfs/dbraw/zinc/35/44/42/583354442.db2.gz YKQONWIURBNCCD-ZDUSSCGKSA-N -1 3 345.363 -1.552 20 0 EAADHM O=C(NCCN1CCNC(=O)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826481526 583354441 /nfs/dbraw/zinc/35/44/41/583354441.db2.gz YKQONWIURBNCCD-ZDUSSCGKSA-N -1 3 345.363 -1.552 20 0 EAADHM O=S(=O)(CCN(CCO)CCO)c1cccc(-c2nn[n-]n2)c1 ZINC000826484427 583354654 /nfs/dbraw/zinc/35/46/54/583354654.db2.gz CMDIOOQLFUCYNP-UHFFFAOYSA-N -1 3 341.393 -1.073 20 0 EAADHM O=S(=O)(CCN(CCO)CCO)c1cccc(-c2nnn[n-]2)c1 ZINC000826484427 583354651 /nfs/dbraw/zinc/35/46/51/583354651.db2.gz CMDIOOQLFUCYNP-UHFFFAOYSA-N -1 3 341.393 -1.073 20 0 EAADHM O=S(=O)(CCN1C[C@@H](O)[C@@H](O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484551 583354795 /nfs/dbraw/zinc/35/47/95/583354795.db2.gz HGWKPGVLDZHPHI-TXEJJXNPSA-N -1 3 339.377 -1.322 20 0 EAADHM O=S(=O)(CCN1C[C@@H](O)[C@@H](O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484551 583354790 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O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000826494271 583354929 /nfs/dbraw/zinc/35/49/29/583354929.db2.gz VDIBGSKWRUTSDC-AOOOYVTPSA-N -1 3 325.350 -1.017 20 0 EAADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000826494271 583354928 /nfs/dbraw/zinc/35/49/28/583354928.db2.gz VDIBGSKWRUTSDC-AOOOYVTPSA-N -1 3 325.350 -1.017 20 0 EAADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N(CCO)CCO ZINC000826494737 583354830 /nfs/dbraw/zinc/35/48/30/583354830.db2.gz NEZUBRVKIKWAOE-UHFFFAOYSA-N -1 3 331.329 -1.019 20 0 EAADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N(CCO)CCO ZINC000826494737 583354827 /nfs/dbraw/zinc/35/48/27/583354827.db2.gz NEZUBRVKIKWAOE-UHFFFAOYSA-N -1 3 331.329 -1.019 20 0 EAADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1C[C@H](O)C[C@H](O)C1 ZINC000826495247 583354540 /nfs/dbraw/zinc/35/45/40/583354540.db2.gz IJKZCKSHRIPVAH-AOOOYVTPSA-N -1 3 325.350 -1.017 20 0 EAADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1C[C@H](O)C[C@H](O)C1 ZINC000826495247 583354538 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Cn1ccc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCOCC2)n1 ZINC000827075785 583356644 /nfs/dbraw/zinc/35/66/44/583356644.db2.gz GZYGSKHUCYECFP-UHFFFAOYSA-N -1 3 338.411 -1.640 20 0 EAADHM CO[C@H](CS(=O)(=O)[N-]C[C@@H]1CC(C(N)=O)=NO1)C1CCOCC1 ZINC000827498861 583358494 /nfs/dbraw/zinc/35/84/94/583358494.db2.gz WCKPLIHYYOMGHQ-CMPLNLGQSA-N -1 3 349.409 -1.022 20 0 EAADHM CO[C@@H](CS(=O)(=O)[N-]C[C@@H]1CC(C(N)=O)=NO1)C1CCOCC1 ZINC000827498862 583358455 /nfs/dbraw/zinc/35/84/55/583358455.db2.gz WCKPLIHYYOMGHQ-JQWIXIFHSA-N -1 3 349.409 -1.022 20 0 EAADHM CO[C@@H](CS(=O)(=O)[N-]C[C@H]1CC(C(N)=O)=NO1)C1CCOCC1 ZINC000827498863 583358578 /nfs/dbraw/zinc/35/85/78/583358578.db2.gz WCKPLIHYYOMGHQ-PWSUYJOCSA-N -1 3 349.409 -1.022 20 0 EAADHM CO[C@H](CS(=O)(=O)[N-]C[C@H]1CC(C(N)=O)=NO1)C1CCOCC1 ZINC000827498864 583358349 /nfs/dbraw/zinc/35/83/49/583358349.db2.gz WCKPLIHYYOMGHQ-ZYHUDNBSSA-N -1 3 349.409 -1.022 20 0 EAADHM C[C@@H](NCC(C)(C)C(=O)[O-])C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000827735739 583359284 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668599181 /nfs/dbraw/zinc/59/91/81/668599181.db2.gz JSHNANDMFHNJOJ-BDAKNGLRSA-N -1 3 333.352 -1.562 20 0 EAADHM C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000972720482 668598949 /nfs/dbraw/zinc/59/89/49/668598949.db2.gz JSHNANDMFHNJOJ-DTWKUNHWSA-N -1 3 333.352 -1.562 20 0 EAADHM C[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000972720483 668598926 /nfs/dbraw/zinc/59/89/26/668598926.db2.gz JSHNANDMFHNJOJ-IUCAKERBSA-N -1 3 333.352 -1.562 20 0 EAADHM C[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000972720484 668598649 /nfs/dbraw/zinc/59/86/49/668598649.db2.gz JSHNANDMFHNJOJ-RKDXNWHRSA-N -1 3 333.352 -1.562 20 0 EAADHM COc1c(C(=O)N2CC[C@@H](N(C)[C@H](C)C(N)=O)C2)[nH]c(=O)[n-]c1=O ZINC000972720804 668599128 /nfs/dbraw/zinc/59/91/28/668599128.db2.gz MXICXCMBZFKCJU-HTQZYQBOSA-N -1 3 339.352 -1.084 20 0 EAADHM COc1c(C(=O)N2CC[C@@H](N(C)[C@@H](C)C(N)=O)C2)[nH]c(=O)[n-]c1=O ZINC000972720805 668599205 /nfs/dbraw/zinc/59/92/05/668599205.db2.gz MXICXCMBZFKCJU-JGVFFNPUSA-N -1 3 339.352 -1.084 20 0 EAADHM COc1c(C(=O)N2CC[C@H](N(C)[C@H](C)C(N)=O)C2)[nH]c(=O)[n-]c1=O ZINC000972720807 668598609 /nfs/dbraw/zinc/59/86/09/668598609.db2.gz MXICXCMBZFKCJU-SFYZADRCSA-N -1 3 339.352 -1.084 20 0 EAADHM COc1c(C(=O)N2CC[C@H](N(C)[C@@H](C)C(N)=O)C2)[nH]c(=O)[n-]c1=O ZINC000972720808 668598873 /nfs/dbraw/zinc/59/88/73/668598873.db2.gz MXICXCMBZFKCJU-YUMQZZPRSA-N -1 3 339.352 -1.084 20 0 EAADHM CC[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000972721668 668598737 /nfs/dbraw/zinc/59/87/37/668598737.db2.gz SIDJXORRZSOMIT-GXSJLCMTSA-N -1 3 347.379 -1.172 20 0 EAADHM CC[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000972721669 668598936 /nfs/dbraw/zinc/59/89/36/668598936.db2.gz SIDJXORRZSOMIT-KOLCDFICSA-N -1 3 347.379 -1.172 20 0 EAADHM CC[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000972721670 668599352 /nfs/dbraw/zinc/59/93/52/668599352.db2.gz SIDJXORRZSOMIT-MWLCHTKSSA-N -1 3 347.379 -1.172 20 0 EAADHM CC[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000972721671 668598693 /nfs/dbraw/zinc/59/86/93/668598693.db2.gz SIDJXORRZSOMIT-ONGXEEELSA-N -1 3 347.379 -1.172 20 0 EAADHM O=C(c1cnc[n-]c1=O)N1C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C[C@H]21 ZINC000972793034 668610366 /nfs/dbraw/zinc/61/03/66/668610366.db2.gz JJWQDWYWYBSLQS-DVVUODLYSA-N -1 3 346.347 -1.464 20 0 EAADHM O=C(c1cnc[n-]c1=O)N1C[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C[C@H]21 ZINC000972793035 668610232 /nfs/dbraw/zinc/61/02/32/668610232.db2.gz JJWQDWYWYBSLQS-FBIMIBRVSA-N -1 3 346.347 -1.464 20 0 EAADHM O=C(Cn1cnnn1)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC000972793045 668610321 /nfs/dbraw/zinc/61/03/21/668610321.db2.gz JZDLJLPOXKVROZ-MWLCHTKSSA-N -1 3 344.335 -1.458 20 0 EAADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC000972793763 668610426 /nfs/dbraw/zinc/61/04/26/668610426.db2.gz SWJALNJPJPAPGR-MWGHHZFTSA-N -1 3 345.359 -1.024 20 0 EAADHM O=C(Cn1ncnn1)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC000972794067 668610171 /nfs/dbraw/zinc/61/01/71/668610171.db2.gz YAGYULOCMXCYOB-MWLCHTKSSA-N -1 3 344.335 -1.458 20 0 EAADHM O=C(c1cnc[n-]c1=O)N1C[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C[C@H]21 ZINC000972797831 668609285 /nfs/dbraw/zinc/60/92/85/668609285.db2.gz WDTFKMLGFNYIOI-DVVUODLYSA-N -1 3 347.331 -1.037 20 0 EAADHM O=C(c1cnc[n-]c1=O)N1C[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C[C@H]21 ZINC000972797832 668609303 /nfs/dbraw/zinc/60/93/03/668609303.db2.gz WDTFKMLGFNYIOI-FBIMIBRVSA-N -1 3 347.331 -1.037 20 0 EAADHM O=C(c1cnc[n-]c1=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C[C@H]21 ZINC000972798284 668609497 /nfs/dbraw/zinc/60/94/97/668609497.db2.gz ZFECTOREJWZPFX-CKYFFXLPSA-N -1 3 345.359 -1.009 20 0 EAADHM O=C(c1cnc[n-]c1=O)N1C[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C[C@H]21 ZINC000972798285 668609803 /nfs/dbraw/zinc/60/98/03/668609803.db2.gz ZFECTOREJWZPFX-JFGNBEQYSA-N -1 3 345.359 -1.009 20 0 EAADHM Cn1nnc(C(=O)N2CC[C@@H]3CN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)n1 ZINC000972800522 668612043 /nfs/dbraw/zinc/61/20/43/668612043.db2.gz UDXQUMXKKDZSDT-PSASIEDQSA-N -1 3 344.335 -1.308 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000972952377 668699261 /nfs/dbraw/zinc/69/92/61/668699261.db2.gz DKLSTWXFKUIBOL-KYZUINATSA-N -1 3 332.324 -1.446 20 0 EAADHM CN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973104042 668765069 /nfs/dbraw/zinc/76/50/69/668765069.db2.gz WJILPOUSOBZQNN-GUBZILKMSA-N -1 3 338.368 -1.453 20 0 EAADHM CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973104043 668765115 /nfs/dbraw/zinc/76/51/15/668765115.db2.gz WJILPOUSOBZQNN-OPRDCNLKSA-N -1 3 338.368 -1.453 20 0 EAADHM CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cnc[n-]c3=O)C2)C1 ZINC000973125470 668768065 /nfs/dbraw/zinc/76/80/65/668768065.db2.gz ZEHANJCCFVLGGT-CKYFFXLPSA-N -1 3 335.364 -1.110 20 0 EAADHM CN1CCO[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cnc[n-]c3=O)C2)C1 ZINC000973125471 668768072 /nfs/dbraw/zinc/76/80/72/668768072.db2.gz ZEHANJCCFVLGGT-NHCYSSNCSA-N -1 3 335.364 -1.110 20 0 EAADHM O=C(CN1CCOCC1)N[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000973184904 668777415 /nfs/dbraw/zinc/77/74/15/668777415.db2.gz BZVJPOJRUZLWNR-XYPYZODXSA-N -1 3 335.364 -1.109 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC000973191401 668776482 /nfs/dbraw/zinc/77/64/82/668776482.db2.gz ZOMNWDGJRKBJGF-KYZUINATSA-N -1 3 347.335 -1.135 20 0 EAADHM O=C(CN1CN=NC1=O)N[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000973192768 668776709 /nfs/dbraw/zinc/77/67/09/668776709.db2.gz IMPYIXWGSLRHKQ-ZKCHVHJHSA-N -1 3 333.308 -1.444 20 0 EAADHM CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000973193276 668777079 /nfs/dbraw/zinc/77/70/79/668777079.db2.gz FIDFVGWMIJNNNZ-CKYFFXLPSA-N -1 3 335.364 -1.110 20 0 EAADHM CN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000973193280 668777007 /nfs/dbraw/zinc/77/70/07/668777007.db2.gz FIDFVGWMIJNNNZ-NHCYSSNCSA-N -1 3 335.364 -1.110 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000973229304 668780410 /nfs/dbraw/zinc/78/04/10/668780410.db2.gz WAPKEFZHOJJVSL-CIUDSAMLSA-N -1 3 335.320 -1.024 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC000973229306 668780398 /nfs/dbraw/zinc/78/03/98/668780398.db2.gz WAPKEFZHOJJVSL-IWSPIJDZSA-N -1 3 335.320 -1.024 20 0 EAADHM NC(=O)c1nccnc1C(=O)N[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000973256303 668786848 /nfs/dbraw/zinc/78/68/48/668786848.db2.gz NDCJMFWLVMWNSE-LJGSYFOKSA-N -1 3 330.308 -1.616 20 0 EAADHM O=C(CN1C(=O)CCC1=O)N[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000973256931 668786937 /nfs/dbraw/zinc/78/69/37/668786937.db2.gz PTVWGONZSZDLTA-KYZUINATSA-N -1 3 347.331 -1.292 20 0 EAADHM NC(=O)N1CCC(C(=O)N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)CC1 ZINC000973260454 668787260 /nfs/dbraw/zinc/78/72/60/668787260.db2.gz UPUXKKLYMDXUJQ-MGCOHNPYSA-N -1 3 335.368 -1.028 20 0 EAADHM COCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC000973268329 668788722 /nfs/dbraw/zinc/78/87/22/668788722.db2.gz OWBAURNSJADEGR-KYZUINATSA-N -1 3 334.340 -1.267 20 0 EAADHM O=C(N[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000973280843 668790142 /nfs/dbraw/zinc/79/01/42/668790142.db2.gz VVZLQWOKCIRQEI-ZKWXMUAHSA-N -1 3 348.319 -1.843 20 0 EAADHM O=C(Cc1nc2ncccn2n1)N[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000973292540 668791882 /nfs/dbraw/zinc/79/18/82/668791882.db2.gz JJMQACMQASENPE-KYZUINATSA-N -1 3 341.335 -1.138 20 0 EAADHM O=C(CN1CCCC1)N[C@H]1C[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973292643 668791778 /nfs/dbraw/zinc/79/17/78/668791778.db2.gz JJZLIWPSMOKTIJ-MGCOHNPYSA-N -1 3 338.368 -1.452 20 0 EAADHM NC(=O)c1cncc(C(=O)N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)c1 ZINC000973303210 668792434 /nfs/dbraw/zinc/79/24/34/668792434.db2.gz GDIAJVVQZNBNEG-MGCOHNPYSA-N -1 3 329.320 -1.011 20 0 EAADHM CC1(C)CC(=O)N(CC(=O)N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)C1=O ZINC000973303266 668792267 /nfs/dbraw/zinc/79/22/67/668792267.db2.gz XRJGLPXQRPVOPT-KYZUINATSA-N -1 3 348.363 -1.033 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000973307218 668793137 /nfs/dbraw/zinc/79/31/37/668793137.db2.gz UUTRSOKHBPCCHH-KYZUINATSA-N -1 3 332.324 -1.446 20 0 EAADHM O=C(N[C@H]1C[C@H](NC(=O)c2cccn3nnnc23)C1)c1cn[n-]n1 ZINC000973309873 668792025 /nfs/dbraw/zinc/79/20/25/668792025.db2.gz VINBIKMKCGDOJF-ZKCHVHJHSA-N -1 3 327.308 -1.067 20 0 EAADHM O=C(N[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1)c1cnc[n-]c1=O ZINC000973312124 668794255 /nfs/dbraw/zinc/79/42/55/668794255.db2.gz AXIKTGVCCNZBKV-KYZUINATSA-N -1 3 340.361 -1.396 20 0 EAADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000973314911 668793946 /nfs/dbraw/zinc/79/39/46/668793946.db2.gz FQJOVXUTDQZGEZ-KYZUINATSA-N -1 3 333.356 -1.008 20 0 EAADHM CN1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)S1(=O)=O ZINC000973323001 668794984 /nfs/dbraw/zinc/79/49/84/668794984.db2.gz LTGMZOLFNRBXBQ-NQMVMOMDSA-N -1 3 342.381 -1.784 20 0 EAADHM 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/nfs/dbraw/zinc/81/47/98/668814798.db2.gz XQAQVLRKXUQDED-ZKCHVHJHSA-N -1 3 335.324 -1.582 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000973494897 668815917 /nfs/dbraw/zinc/81/59/17/668815917.db2.gz MZZLIIKNGMDGMV-GUBZILKMSA-N -1 3 348.363 -1.109 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000973494898 668815956 /nfs/dbraw/zinc/81/59/56/668815956.db2.gz MZZLIIKNGMDGMV-OPRDCNLKSA-N -1 3 348.363 -1.109 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC000973510803 668817453 /nfs/dbraw/zinc/81/74/53/668817453.db2.gz ZIZVDXYLUFFNBG-ZKCHVHJHSA-N -1 3 332.324 -1.295 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000973515728 668818147 /nfs/dbraw/zinc/81/81/47/668818147.db2.gz FBAGCIRZOHXESB-CIUDSAMLSA-N -1 3 334.336 -1.451 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000973515729 668818063 /nfs/dbraw/zinc/81/80/63/668818063.db2.gz FBAGCIRZOHXESB-IWSPIJDZSA-N -1 3 334.336 -1.451 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000973515824 668818100 /nfs/dbraw/zinc/81/81/00/668818100.db2.gz LOMQUMQNAVWZGG-KYXWUPHJSA-N -1 3 333.348 -1.011 20 0 EAADHM O=C(Cn1cnnn1)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cn[n-]n1)C2 ZINC000973628636 668823919 /nfs/dbraw/zinc/82/39/19/668823919.db2.gz RIHGERKSADUTQZ-PBINXNQUSA-N -1 3 331.340 -1.257 20 0 EAADHM O=C(Cn1ncnn1)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cn[n-]n1)C2 ZINC000973628887 668823886 /nfs/dbraw/zinc/82/38/86/668823886.db2.gz UCMUPFRGGGVSCL-PBINXNQUSA-N -1 3 331.340 -1.257 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000973858960 668078154 /nfs/dbraw/zinc/07/81/54/668078154.db2.gz DKLSTWXFKUIBOL-DTORHVGOSA-N -1 3 332.324 -1.446 20 0 EAADHM CN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973960564 668087744 /nfs/dbraw/zinc/08/77/44/668087744.db2.gz WJILPOUSOBZQNN-AEJSXWLSSA-N -1 3 338.368 -1.453 20 0 EAADHM CN1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000973960565 668087582 /nfs/dbraw/zinc/08/75/82/668087582.db2.gz WJILPOUSOBZQNN-KXUCPTDWSA-N -1 3 338.368 -1.453 20 0 EAADHM CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cnc[n-]c3=O)C2)C1 ZINC000974002313 668093151 /nfs/dbraw/zinc/09/31/51/668093151.db2.gz ZEHANJCCFVLGGT-JFGNBEQYSA-N -1 3 335.364 -1.110 20 0 EAADHM CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cnc[n-]c3=O)C2)C1 ZINC000974002315 668092805 /nfs/dbraw/zinc/09/28/05/668092805.db2.gz ZEHANJCCFVLGGT-UMNHJUIQSA-N -1 3 335.364 -1.110 20 0 EAADHM O=C(CN1CCOCC1)N[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000974042908 668095229 /nfs/dbraw/zinc/09/52/29/668095229.db2.gz BZVJPOJRUZLWNR-PHIMTYICSA-N -1 3 335.364 -1.109 20 0 EAADHM CN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000974050741 668096615 /nfs/dbraw/zinc/09/66/15/668096615.db2.gz FIDFVGWMIJNNNZ-JFGNBEQYSA-N -1 3 335.364 -1.110 20 0 EAADHM CN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000974050742 668096823 /nfs/dbraw/zinc/09/68/23/668096823.db2.gz FIDFVGWMIJNNNZ-UMNHJUIQSA-N -1 3 335.364 -1.110 20 0 EAADHM O=C(CN1CN=NC1=O)N[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000974052020 668097288 /nfs/dbraw/zinc/09/72/88/668097288.db2.gz IMPYIXWGSLRHKQ-OCAPTIKFSA-N -1 3 333.308 -1.444 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000974055625 668097307 /nfs/dbraw/zinc/09/73/07/668097307.db2.gz ZOMNWDGJRKBJGF-DTORHVGOSA-N -1 3 347.335 -1.135 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC000974089985 668103923 /nfs/dbraw/zinc/10/39/23/668103923.db2.gz WAPKEFZHOJJVSL-HRDYMLBCSA-N -1 3 335.320 -1.024 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000974089986 668103776 /nfs/dbraw/zinc/10/37/76/668103776.db2.gz WAPKEFZHOJJVSL-YIZRAAEISA-N -1 3 335.320 -1.024 20 0 EAADHM O=C(CN1C(=O)CCC1=O)N[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000974118037 668107214 /nfs/dbraw/zinc/10/72/14/668107214.db2.gz PTVWGONZSZDLTA-DTORHVGOSA-N -1 3 347.331 -1.292 20 0 EAADHM NC(=O)c1nccnc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000974118851 668106239 /nfs/dbraw/zinc/10/62/39/668106239.db2.gz NDCJMFWLVMWNSE-KNVOCYPGSA-N -1 3 330.308 -1.616 20 0 EAADHM NC(=O)N1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)CC1 ZINC000974119525 668107176 /nfs/dbraw/zinc/10/71/76/668107176.db2.gz UPUXKKLYMDXUJQ-AOOOYVTPSA-N -1 3 335.368 -1.028 20 0 EAADHM COCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC000974129756 668107988 /nfs/dbraw/zinc/10/79/88/668107988.db2.gz OWBAURNSJADEGR-DTORHVGOSA-N -1 3 334.340 -1.267 20 0 EAADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000974134422 668108879 /nfs/dbraw/zinc/10/88/79/668108879.db2.gz VVZLQWOKCIRQEI-OOZYFLPDSA-N -1 3 348.319 -1.843 20 0 EAADHM O=C(CN1CCCC1)N[C@H]1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000974146862 668109411 /nfs/dbraw/zinc/10/94/11/668109411.db2.gz JJZLIWPSMOKTIJ-AOOOYVTPSA-N -1 3 338.368 -1.452 20 0 EAADHM O=C(Cc1nc2ncccn2n1)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000974148560 668109359 /nfs/dbraw/zinc/10/93/59/668109359.db2.gz JJMQACMQASENPE-DTORHVGOSA-N -1 3 341.335 -1.138 20 0 EAADHM NC(=O)c1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)c1 ZINC000974156120 668110831 /nfs/dbraw/zinc/11/08/31/668110831.db2.gz GDIAJVVQZNBNEG-AOOOYVTPSA-N -1 3 329.320 -1.011 20 0 EAADHM CC1(C)CC(=O)N(CC(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)C1=O ZINC000974161316 668112368 /nfs/dbraw/zinc/11/23/68/668112368.db2.gz XRJGLPXQRPVOPT-DTORHVGOSA-N -1 3 348.363 -1.033 20 0 EAADHM O=C(N[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1)c1cnc[n-]c1=O ZINC000974163733 668112247 /nfs/dbraw/zinc/11/22/47/668112247.db2.gz AXIKTGVCCNZBKV-DTORHVGOSA-N -1 3 340.361 -1.396 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC000974166618 668114426 /nfs/dbraw/zinc/11/44/26/668114426.db2.gz UUTRSOKHBPCCHH-DTORHVGOSA-N -1 3 332.324 -1.446 20 0 EAADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cccn3nnnc23)C1)c1cn[n-]n1 ZINC000974166778 668114512 /nfs/dbraw/zinc/11/45/12/668114512.db2.gz VINBIKMKCGDOJF-OCAPTIKFSA-N -1 3 327.308 -1.067 20 0 EAADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000974170032 668115349 /nfs/dbraw/zinc/11/53/49/668115349.db2.gz FQJOVXUTDQZGEZ-DTORHVGOSA-N -1 3 333.356 -1.008 20 0 EAADHM CN1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)S1(=O)=O ZINC000974182346 668116034 /nfs/dbraw/zinc/11/60/34/668116034.db2.gz LTGMZOLFNRBXBQ-KHQFGBGNSA-N -1 3 342.381 -1.784 20 0 EAADHM CN1CC[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)S1(=O)=O ZINC000974182347 668115893 /nfs/dbraw/zinc/11/58/93/668115893.db2.gz LTGMZOLFNRBXBQ-XKSSXDPKSA-N -1 3 342.381 -1.784 20 0 EAADHM NC(=O)c1ncn(CC(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC000974189080 668117248 /nfs/dbraw/zinc/11/72/48/668117248.db2.gz CRPFNHNHNPSZOS-KNVOCYPGSA-N -1 3 333.312 -2.428 20 0 EAADHM CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000974192276 668117734 /nfs/dbraw/zinc/11/77/34/668117734.db2.gz NJFXLXDHSABMNX-JFGNBEQYSA-N -1 3 336.352 -1.571 20 0 EAADHM CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000974192278 668117705 /nfs/dbraw/zinc/11/77/05/668117705.db2.gz NJFXLXDHSABMNX-UMNHJUIQSA-N -1 3 336.352 -1.571 20 0 EAADHM NC(=O)c1ncccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000974199883 668119028 /nfs/dbraw/zinc/11/90/28/668119028.db2.gz YMOIPEPBZHSPQE-OCAPTIKFSA-N -1 3 329.320 -1.011 20 0 EAADHM Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)c1=O ZINC000974220200 668122070 /nfs/dbraw/zinc/12/20/70/668122070.db2.gz RZTLTNOIURFCBA-DTORHVGOSA-N -1 3 347.335 -2.258 20 0 EAADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1)N1C(=O)CCC1=O ZINC000974220665 668121970 /nfs/dbraw/zinc/12/19/70/668121970.db2.gz GUSSGZDTRVBUNU-HLTSFMKQSA-N -1 3 334.336 -1.281 20 0 EAADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1)N1C(=O)CCC1=O ZINC000974220667 668121994 /nfs/dbraw/zinc/12/19/94/668121994.db2.gz GUSSGZDTRVBUNU-XHNCKOQMSA-N -1 3 334.336 -1.281 20 0 EAADHM NC(=O)Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC000974224856 668123214 /nfs/dbraw/zinc/12/32/14/668123214.db2.gz RGKZYKCPOGNZLP-KNVOCYPGSA-N -1 3 333.312 -2.428 20 0 EAADHM O=C(CN1CCCS1(=O)=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000974236342 668125322 /nfs/dbraw/zinc/12/53/22/668125322.db2.gz IVGVPVAZJYMMCL-DTORHVGOSA-N -1 3 342.381 -1.783 20 0 EAADHM O=C(CN1CCOCC1=O)N[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000974240973 668125863 /nfs/dbraw/zinc/12/58/63/668125863.db2.gz LRSIWPLINNHGIL-AOOOYVTPSA-N -1 3 349.347 -1.582 20 0 EAADHM NC(=O)c1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC000974244163 668126359 /nfs/dbraw/zinc/12/63/59/668126359.db2.gz JYXNZBUZLXNWIQ-OCAPTIKFSA-N -1 3 329.320 -1.011 20 0 EAADHM Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnc[n-]c3=O)C2)n(C)c1=O ZINC000974245591 668126255 /nfs/dbraw/zinc/12/62/55/668126255.db2.gz ZEXCGXRSMYSGIH-DTORHVGOSA-N -1 3 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C[C@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC000979409500 668482025 /nfs/dbraw/zinc/48/20/25/668482025.db2.gz KPFGKXFVEOQPNY-QWRGUYRKSA-N -1 3 347.379 -1.082 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC000979409501 668481815 /nfs/dbraw/zinc/48/18/15/668481815.db2.gz KPFGKXFVEOQPNY-WDEREUQCSA-N -1 3 347.379 -1.082 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC000979410778 668481999 /nfs/dbraw/zinc/48/19/99/668481999.db2.gz SUYRFFOOUGEKIK-CMPLNLGQSA-N -1 3 349.395 -1.220 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC000979410780 668482247 /nfs/dbraw/zinc/48/22/47/668482247.db2.gz SUYRFFOOUGEKIK-JQWIXIFHSA-N -1 3 349.395 -1.220 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC000979410781 668481971 /nfs/dbraw/zinc/48/19/71/668481971.db2.gz SUYRFFOOUGEKIK-PWSUYJOCSA-N -1 3 349.395 -1.220 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC000979410782 668481947 /nfs/dbraw/zinc/48/19/47/668481947.db2.gz SUYRFFOOUGEKIK-ZYHUDNBSSA-N -1 3 349.395 -1.220 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC000979420605 668482458 /nfs/dbraw/zinc/48/24/58/668482458.db2.gz YBQVSXDHHYDAHZ-CMPLNLGQSA-N -1 3 347.379 -1.082 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC000979420606 668482779 /nfs/dbraw/zinc/48/27/79/668482779.db2.gz YBQVSXDHHYDAHZ-JQWIXIFHSA-N -1 3 347.379 -1.082 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC000979420608 668482805 /nfs/dbraw/zinc/48/28/05/668482805.db2.gz YBQVSXDHHYDAHZ-PWSUYJOCSA-N -1 3 347.379 -1.082 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC000979420610 668482755 /nfs/dbraw/zinc/48/27/55/668482755.db2.gz YBQVSXDHHYDAHZ-ZYHUDNBSSA-N -1 3 347.379 -1.082 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC000979435688 668483373 /nfs/dbraw/zinc/48/33/73/668483373.db2.gz RRTDRGAPFHALMF-GHMZBOCLSA-N -1 3 349.395 -1.220 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC000979435691 668483237 /nfs/dbraw/zinc/48/32/37/668483237.db2.gz RRTDRGAPFHALMF-MNOVXSKESA-N -1 3 349.395 -1.220 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC000979435694 668483294 /nfs/dbraw/zinc/48/32/94/668483294.db2.gz RRTDRGAPFHALMF-QWRGUYRKSA-N -1 3 349.395 -1.220 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC000979435700 668483449 /nfs/dbraw/zinc/48/34/49/668483449.db2.gz RRTDRGAPFHALMF-WDEREUQCSA-N -1 3 349.395 -1.220 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC000979436101 668483341 /nfs/dbraw/zinc/48/33/41/668483341.db2.gz XWXKBAJWOPECQE-BDAKNGLRSA-N -1 3 336.356 -1.423 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC000979436103 668483265 /nfs/dbraw/zinc/48/32/65/668483265.db2.gz XWXKBAJWOPECQE-DTWKUNHWSA-N -1 3 336.356 -1.423 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC000979436105 668483182 /nfs/dbraw/zinc/48/31/82/668483182.db2.gz XWXKBAJWOPECQE-IUCAKERBSA-N -1 3 336.356 -1.423 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC000979436107 668483220 /nfs/dbraw/zinc/48/32/20/668483220.db2.gz XWXKBAJWOPECQE-RKDXNWHRSA-N -1 3 336.356 -1.423 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC000979450125 668483866 /nfs/dbraw/zinc/48/38/66/668483866.db2.gz TVWNXUWUJBMPJX-NEPJUHHUSA-N -1 3 349.395 -1.289 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC000979450126 668484051 /nfs/dbraw/zinc/48/40/51/668484051.db2.gz TVWNXUWUJBMPJX-NWDGAFQWSA-N -1 3 349.395 -1.289 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC000979450127 668483924 /nfs/dbraw/zinc/48/39/24/668483924.db2.gz TVWNXUWUJBMPJX-RYUDHWBXSA-N -1 3 349.395 -1.289 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC000979450129 668484041 /nfs/dbraw/zinc/48/40/41/668484041.db2.gz TVWNXUWUJBMPJX-VXGBXAGGSA-N -1 3 349.395 -1.289 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC000979452117 668484528 /nfs/dbraw/zinc/48/45/28/668484528.db2.gz SGAGLTFSLWUEJX-CMPLNLGQSA-N -1 3 349.395 -1.139 20 0 EAADHM C[C@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC000979452120 668484635 /nfs/dbraw/zinc/48/46/35/668484635.db2.gz SGAGLTFSLWUEJX-JQWIXIFHSA-N -1 3 349.395 -1.139 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC000979452122 668484627 /nfs/dbraw/zinc/48/46/27/668484627.db2.gz SGAGLTFSLWUEJX-PWSUYJOCSA-N -1 3 349.395 -1.139 20 0 EAADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC000979452124 668484555 /nfs/dbraw/zinc/48/45/55/668484555.db2.gz SGAGLTFSLWUEJX-ZYHUDNBSSA-N -1 3 349.395 -1.139 20 0 EAADHM O=C(Cn1cnnn1)N[C@@H]1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2C1 ZINC000979512956 668486732 /nfs/dbraw/zinc/48/67/32/668486732.db2.gz JTAMCFJYVVCOHV-GARJFASQSA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(Cn1cnnn1)N[C@@H]1CC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC000979512966 668486884 /nfs/dbraw/zinc/48/68/84/668486884.db2.gz JTAMCFJYVVCOHV-GMTAPVOTSA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(Cn1cnnn1)N[C@@H]1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC000979512973 668486738 /nfs/dbraw/zinc/48/67/38/668486738.db2.gz JTAMCFJYVVCOHV-HBNTYKKESA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(Cn1cnnn1)N[C@@H]1CC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2C1 ZINC000979512981 668486681 /nfs/dbraw/zinc/48/66/81/668486681.db2.gz JTAMCFJYVVCOHV-OUAUKWLOSA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(Cc1cnc[nH]1)N[C@@H]1[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000979519138 668487391 /nfs/dbraw/zinc/48/73/91/668487391.db2.gz VPFSPVYGGZTSOF-GDGBQDQQSA-N -1 3 347.335 -1.772 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H]2C1 ZINC000979683435 668494156 /nfs/dbraw/zinc/49/41/56/668494156.db2.gz WSWPTVOUXNXCND-IVZWLZJFSA-N -1 3 331.340 -1.542 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@@H]2[C@H](NC(=O)c3cn[n-]n3)CC[C@@H]2C1 ZINC000979683439 668494259 /nfs/dbraw/zinc/49/42/59/668494259.db2.gz WSWPTVOUXNXCND-KXUCPTDWSA-N -1 3 331.340 -1.542 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H]2C1 ZINC000979683443 668494120 /nfs/dbraw/zinc/49/41/20/668494120.db2.gz WSWPTVOUXNXCND-LPEHRKFASA-N -1 3 331.340 -1.542 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H]2C1 ZINC000979683444 668494213 /nfs/dbraw/zinc/49/42/13/668494213.db2.gz WSWPTVOUXNXCND-OPRDCNLKSA-N -1 3 331.340 -1.542 20 0 EAADHM O=C(Cn1ncnn1)N[C@@H]1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2C1 ZINC000979710276 668495497 /nfs/dbraw/zinc/49/54/97/668495497.db2.gz KELVHZVQWQGKFL-GARJFASQSA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(Cn1ncnn1)N[C@@H]1CC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC000979710279 668495651 /nfs/dbraw/zinc/49/56/51/668495651.db2.gz KELVHZVQWQGKFL-GMTAPVOTSA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(Cn1ncnn1)N[C@@H]1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C1 ZINC000979710282 668495689 /nfs/dbraw/zinc/49/56/89/668495689.db2.gz KELVHZVQWQGKFL-HBNTYKKESA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(Cn1ncnn1)N[C@@H]1CC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2C1 ZINC000979710286 668495600 /nfs/dbraw/zinc/49/56/00/668495600.db2.gz KELVHZVQWQGKFL-OUAUKWLOSA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(NC[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1)[C@H]1COC(=O)N1 ZINC000979722509 668496686 /nfs/dbraw/zinc/49/66/86/668496686.db2.gz UKCPXHQARYZHJL-NQMVMOMDSA-N -1 3 335.320 -1.085 20 0 EAADHM O=C(NC[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1)[C@@H]1COC(=O)N1 ZINC000979722511 668496629 /nfs/dbraw/zinc/49/66/29/668496629.db2.gz UKCPXHQARYZHJL-NRPADANISA-N -1 3 335.320 -1.085 20 0 EAADHM COCCn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC000979751377 668498265 /nfs/dbraw/zinc/49/82/65/668498265.db2.gz OBZZAAMJERTFKG-MGCOHNPYSA-N -1 3 348.367 -1.019 20 0 EAADHM O=C(N[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1)c1cn[n-]n1 ZINC000979777184 668498881 /nfs/dbraw/zinc/49/88/81/668498881.db2.gz RMYUUJOYMHRMSW-FXQIFTODSA-N -1 3 335.324 -1.973 20 0 EAADHM O=C(Cn1ncnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H]2C1 ZINC000979821401 668502858 /nfs/dbraw/zinc/50/28/58/668502858.db2.gz KWRUGRHDLJWNGW-IVZWLZJFSA-N -1 3 331.340 -1.542 20 0 EAADHM O=C(Cn1ncnn1)N1C[C@@H]2[C@H](NC(=O)c3cn[n-]n3)CC[C@@H]2C1 ZINC000979821407 668502954 /nfs/dbraw/zinc/50/29/54/668502954.db2.gz KWRUGRHDLJWNGW-KXUCPTDWSA-N -1 3 331.340 -1.542 20 0 EAADHM O=C(Cn1ncnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H]2C1 ZINC000979821411 668503065 /nfs/dbraw/zinc/50/30/65/668503065.db2.gz KWRUGRHDLJWNGW-LPEHRKFASA-N -1 3 331.340 -1.542 20 0 EAADHM O=C(Cn1ncnn1)N1C[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H]2C1 ZINC000979821417 668503098 /nfs/dbraw/zinc/50/30/98/668503098.db2.gz KWRUGRHDLJWNGW-OPRDCNLKSA-N -1 3 331.340 -1.542 20 0 EAADHM O=C(N[C@H]1C[C@H](CNC(=O)C2CS(=O)(=O)C2)C1)c1cn[n-]n1 ZINC000979824615 668502076 /nfs/dbraw/zinc/50/20/76/668502076.db2.gz GSTZSOJYWXILDM-XWEPSHTISA-N -1 3 327.366 -1.526 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CC[C@H](NC(=O)C(N)=O)[C@@H]2C1 ZINC000979880261 668505397 /nfs/dbraw/zinc/50/53/97/668505397.db2.gz ILKHSCBPJIVAAT-AEJSXWLSSA-N -1 3 333.348 -1.057 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CC[C@H](NC(=O)C(N)=O)[C@H]2C1 ZINC000979880262 668505314 /nfs/dbraw/zinc/50/53/14/668505314.db2.gz ILKHSCBPJIVAAT-GUBZILKMSA-N -1 3 333.348 -1.057 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)[C@@H]2C1 ZINC000979880264 668505936 /nfs/dbraw/zinc/50/59/36/668505936.db2.gz ILKHSCBPJIVAAT-IVZWLZJFSA-N -1 3 333.348 -1.057 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)[C@H]2C1 ZINC000979880265 668506025 /nfs/dbraw/zinc/50/60/25/668506025.db2.gz ILKHSCBPJIVAAT-LPEHRKFASA-N -1 3 333.348 -1.057 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)c4cn[n-]n4)[C@H]3C2)n1 ZINC000979887719 668506969 /nfs/dbraw/zinc/50/69/69/668506969.db2.gz AECRYZOQIPUGTD-CIUDSAMLSA-N -1 3 331.340 -1.391 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)c4cn[n-]n4)[C@@H]3C2)n1 ZINC000979887724 668506948 /nfs/dbraw/zinc/50/69/48/668506948.db2.gz AECRYZOQIPUGTD-DJLDLDEBSA-N -1 3 331.340 -1.391 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)c4cn[n-]n4)[C@H]3C2)n1 ZINC000979887728 668506784 /nfs/dbraw/zinc/50/67/84/668506784.db2.gz AECRYZOQIPUGTD-XHNCKOQMSA-N -1 3 331.340 -1.391 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)c4cn[n-]n4)[C@@H]3C2)n1 ZINC000979887732 668506958 /nfs/dbraw/zinc/50/69/58/668506958.db2.gz AECRYZOQIPUGTD-YIZRAAEISA-N -1 3 331.340 -1.391 20 0 EAADHM O=C(CCn1cnnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H]2C1 ZINC000979899690 668506848 /nfs/dbraw/zinc/50/68/48/668506848.db2.gz SFAPBTMUVISIDI-GARJFASQSA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(CCn1cnnn1)N1C[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H]2C1 ZINC000979899691 668506876 /nfs/dbraw/zinc/50/68/76/668506876.db2.gz SFAPBTMUVISIDI-GMTAPVOTSA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(CCn1cnnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H]2C1 ZINC000979899692 668506810 /nfs/dbraw/zinc/50/68/10/668506810.db2.gz SFAPBTMUVISIDI-HBNTYKKESA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(CCn1cnnn1)N1C[C@@H]2[C@H](NC(=O)c3cn[n-]n3)CC[C@@H]2C1 ZINC000979899693 668506930 /nfs/dbraw/zinc/50/69/30/668506930.db2.gz SFAPBTMUVISIDI-OUAUKWLOSA-N -1 3 345.367 -1.152 20 0 EAADHM NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC000979915970 668508980 /nfs/dbraw/zinc/50/89/80/668508980.db2.gz RMUJOKGYEVQPTC-ZKCHVHJHSA-N -1 3 347.339 -2.180 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000979922553 668509844 /nfs/dbraw/zinc/50/98/44/668509844.db2.gz WFDKFRYVCVYKHC-IVZWLZJFSA-N -1 3 333.348 -1.057 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@H]12 ZINC000979922555 668509935 /nfs/dbraw/zinc/50/99/35/668509935.db2.gz WFDKFRYVCVYKHC-KXUCPTDWSA-N -1 3 333.348 -1.057 20 0 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CN(C(=O)c1cnc[n-]c1=O)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000983862211 668838980 /nfs/dbraw/zinc/83/89/80/668838980.db2.gz QBNFNAJLHHUNRW-JTQLQIEISA-N -1 3 346.351 -1.068 20 0 EAADHM CN(C(=O)c1cnc[n-]c1=O)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000983862213 668838909 /nfs/dbraw/zinc/83/89/09/668838909.db2.gz QBNFNAJLHHUNRW-SNVBAGLBSA-N -1 3 346.351 -1.068 20 0 EAADHM O=C(CN1CCOCC1=O)N[C@H]1C[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC000983885825 668840028 /nfs/dbraw/zinc/84/00/28/668840028.db2.gz GETLNHGIKJIIDV-MGCOHNPYSA-N -1 3 338.368 -1.647 20 0 EAADHM O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC000983902675 668840459 /nfs/dbraw/zinc/84/04/59/668840459.db2.gz XWXMTNPZVHCUEF-FXQIFTODSA-N -1 3 337.340 -1.907 20 0 EAADHM Cn1cnc(C(=O)N[C@H]2C[C@H](CNCc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC000983914656 668840725 /nfs/dbraw/zinc/84/07/25/668840725.db2.gz NDZSTKWKJUBECJ-KYZUINATSA-N -1 3 333.352 -1.098 20 0 EAADHM Cn1cnn(CC(=O)N[C@H]2C[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1=O ZINC000984116594 668848702 /nfs/dbraw/zinc/84/87/02/668848702.db2.gz DJOLTQSPIZKCBB-KYZUINATSA-N -1 3 336.356 -1.910 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000984119296 668849159 /nfs/dbraw/zinc/84/91/59/668849159.db2.gz AOONMBRTULQCGS-SECBINFHSA-N -1 3 342.377 -1.131 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000984119298 668849063 /nfs/dbraw/zinc/84/90/63/668849063.db2.gz AOONMBRTULQCGS-VIFPVBQESA-N -1 3 342.377 -1.131 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)[C@@H]2CCCN2C(N)=O)cc(=O)[n-]1 ZINC000984119308 668848864 /nfs/dbraw/zinc/84/88/64/668848864.db2.gz AUBGGMQVXFGPCP-JTQLQIEISA-N -1 3 336.352 -1.022 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)[C@H]2CCS(=O)(=O)N2)cc(=O)[n-]1 ZINC000984120133 668849009 /nfs/dbraw/zinc/84/90/09/668849009.db2.gz IVPWHNMOQMSYFU-SECBINFHSA-N -1 3 343.365 -1.874 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)[C@@H]2CCS(=O)(=O)N2)cc(=O)[n-]1 ZINC000984120142 668848869 /nfs/dbraw/zinc/84/88/69/668848869.db2.gz IVPWHNMOQMSYFU-VIFPVBQESA-N -1 3 343.365 -1.874 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)c2cc(=O)n(C)cn2)cc(=O)[n-]1 ZINC000984120476 668849170 /nfs/dbraw/zinc/84/91/70/668849170.db2.gz KIGXKAOQYRNJSL-UHFFFAOYSA-N -1 3 332.320 -1.158 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)c2cn(C)c(=O)n2C)cc(=O)[n-]1 ZINC000984120551 668848885 /nfs/dbraw/zinc/84/88/85/668848885.db2.gz MVRJEERJDBQJGE-UHFFFAOYSA-N -1 3 334.336 -1.215 20 0 EAADHM Cn1nnc(C(=O)NCc2cc(=O)[n-]c(CNC(=O)C3CC3)n2)n1 ZINC000984120601 668848879 /nfs/dbraw/zinc/84/88/79/668848879.db2.gz FYKJDNBQEDEUHS-UHFFFAOYSA-N -1 3 332.324 -1.338 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)c2cn(C)c(=O)[nH]c2=O)cc(=O)[n-]1 ZINC000984121112 668848896 /nfs/dbraw/zinc/84/88/96/668848896.db2.gz SCKTVPNZQFARNW-UHFFFAOYSA-N -1 3 348.319 -1.452 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc(=O)[n-]1 ZINC000984121165 668849055 /nfs/dbraw/zinc/84/90/55/668849055.db2.gz URYREXPFUYTOLW-QMMMGPOBSA-N -1 3 336.308 -1.967 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)c2cn(CC(N)=O)nn2)cc(=O)[n-]1 ZINC000984121554 668849122 /nfs/dbraw/zinc/84/91/22/668849122.db2.gz YITFYLCWENNFQP-UHFFFAOYSA-N -1 3 348.323 -2.175 20 0 EAADHM CN1C[C@@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)C3CC3)n2)NC1=O ZINC000984123943 668849104 /nfs/dbraw/zinc/84/91/04/668849104.db2.gz UEOJZIGKONTZHQ-JTQLQIEISA-N -1 3 348.363 -1.152 20 0 EAADHM CN1C[C@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)C3CC3)n2)NC1=O ZINC000984123948 668849135 /nfs/dbraw/zinc/84/91/35/668849135.db2.gz UEOJZIGKONTZHQ-SNVBAGLBSA-N -1 3 348.363 -1.152 20 0 EAADHM O=C(NCc1nc(CNC(=O)[C@H]2CCNC2=O)cc(=O)[n-]1)C1CC1 ZINC000984124000 668848949 /nfs/dbraw/zinc/84/89/49/668848949.db2.gz VHGGTQUFJIOFOG-JTQLQIEISA-N -1 3 333.348 -1.039 20 0 EAADHM O=C(NCc1nc(CNC(=O)[C@@H]2CCNC2=O)cc(=O)[n-]1)C1CC1 ZINC000984124004 668849095 /nfs/dbraw/zinc/84/90/95/668849095.db2.gz VHGGTQUFJIOFOG-SNVBAGLBSA-N -1 3 333.348 -1.039 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)C2CC(=O)NC(=O)C2)cc(=O)[n-]1 ZINC000984124261 668849129 /nfs/dbraw/zinc/84/91/29/668849129.db2.gz ASKDOJVQEYNLKR-UHFFFAOYSA-N -1 3 335.320 -1.513 20 0 EAADHM O=C(CC1CS(=O)(=O)C1)N[C@H]1C[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC000984124637 668848924 /nfs/dbraw/zinc/84/89/24/668848924.db2.gz QFROBWNOUDJPHT-CZMCAQCFSA-N -1 3 343.409 -1.071 20 0 EAADHM COCCn1cc(C(=O)NCc2cc(=O)[n-]c(CNC(C)=O)n2)nn1 ZINC000984124797 668849443 /nfs/dbraw/zinc/84/94/43/668849443.db2.gz BBKWOODGTFVCGN-UHFFFAOYSA-N -1 3 349.351 -1.014 20 0 EAADHM O=C(NCc1nc(CNC(=O)[C@H]2CNC(=O)N2)cc(=O)[n-]1)C1CC1 ZINC000984124828 668849459 /nfs/dbraw/zinc/84/94/59/668849459.db2.gz BEXKUSHWXOEQFZ-SECBINFHSA-N -1 3 334.336 -1.494 20 0 EAADHM O=C(NCc1nc(CNC(=O)[C@@H]2CNC(=O)N2)cc(=O)[n-]1)C1CC1 ZINC000984124830 668849339 /nfs/dbraw/zinc/84/93/39/668849339.db2.gz BEXKUSHWXOEQFZ-VIFPVBQESA-N -1 3 334.336 -1.494 20 0 EAADHM O=C(NCc1nc(CNC(=O)[C@@H]2CNC(=O)N2)cc(=O)[n-]1)C1CCC1 ZINC000984124874 668849292 /nfs/dbraw/zinc/84/92/92/668849292.db2.gz CVLLCODNYUPNSW-JTQLQIEISA-N -1 3 348.363 -1.104 20 0 EAADHM O=C(NCc1nc(CNC(=O)[C@H]2CNC(=O)N2)cc(=O)[n-]1)C1CCC1 ZINC000984124875 668849219 /nfs/dbraw/zinc/84/92/19/668849219.db2.gz CVLLCODNYUPNSW-SNVBAGLBSA-N -1 3 348.363 -1.104 20 0 EAADHM O=C(NCc1nc(CNC(=O)[C@H]2COC(=O)N2)cc(=O)[n-]1)C1CC1 ZINC000984126281 668849300 /nfs/dbraw/zinc/84/93/00/668849300.db2.gz MEBYTVSKIUSQHA-SECBINFHSA-N -1 3 335.320 -1.067 20 0 EAADHM O=C(NCc1nc(CNC(=O)[C@@H]2COC(=O)N2)cc(=O)[n-]1)C1CC1 ZINC000984126282 668849262 /nfs/dbraw/zinc/84/92/62/668849262.db2.gz MEBYTVSKIUSQHA-VIFPVBQESA-N -1 3 335.320 -1.067 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)C2CS(=O)(=O)C2)cc(=O)[n-]1 ZINC000984126892 668849467 /nfs/dbraw/zinc/84/94/67/668849467.db2.gz QEQAOUMUZAVOFD-UHFFFAOYSA-N -1 3 328.350 -1.521 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)c2cn(C)c(=O)cn2)cc(=O)[n-]1 ZINC000984127696 668849404 /nfs/dbraw/zinc/84/94/04/668849404.db2.gz UNBSAAVSDQISLB-UHFFFAOYSA-N -1 3 332.320 -1.158 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc(=O)[n-]1 ZINC000984128847 668849383 /nfs/dbraw/zinc/84/93/83/668849383.db2.gz IAPDGRCKMBMJEY-VHSXEESVSA-N -1 3 337.336 -1.533 20 0 EAADHM NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C2CC2)n1 ZINC000984129555 668849307 /nfs/dbraw/zinc/84/93/07/668849307.db2.gz MAHTWVPRTDPEME-ZJUUUORDSA-N -1 3 333.348 -1.054 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)c2nccnc2C(N)=O)cc(=O)[n-]1 ZINC000984130928 668849539 /nfs/dbraw/zinc/84/95/39/668849539.db2.gz SLXYUIBPTPHGKV-UHFFFAOYSA-N -1 3 345.319 -1.363 20 0 EAADHM CC(=O)NCc1nc(CNC(=O)c2ccc(=O)n(C)n2)cc(=O)[n-]1 ZINC000984130954 668849321 /nfs/dbraw/zinc/84/93/21/668849321.db2.gz SWZLRCZSYQYUQT-UHFFFAOYSA-N -1 3 332.320 -1.158 20 0 EAADHM C[C@@H]1C[C@@H]1C(=O)NCc1nc(CNC(=O)c2nnn(C)n2)cc(=O)[n-]1 ZINC000984133191 668849785 /nfs/dbraw/zinc/84/97/85/668849785.db2.gz GAKKPERHPNHERS-APPZFPTMSA-N -1 3 346.351 -1.092 20 0 EAADHM C[C@H]1C[C@@H]1C(=O)NCc1nc(CNC(=O)c2nnn(C)n2)cc(=O)[n-]1 ZINC000984133193 668849859 /nfs/dbraw/zinc/84/98/59/668849859.db2.gz GAKKPERHPNHERS-CBAPKCEASA-N -1 3 346.351 -1.092 20 0 EAADHM C[C@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)c2nnn(C)n2)cc(=O)[n-]1 ZINC000984133195 668849795 /nfs/dbraw/zinc/84/97/95/668849795.db2.gz GAKKPERHPNHERS-IONNQARKSA-N -1 3 346.351 -1.092 20 0 EAADHM C[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)c2nnn(C)n2)cc(=O)[n-]1 ZINC000984133196 668849778 /nfs/dbraw/zinc/84/97/78/668849778.db2.gz GAKKPERHPNHERS-VXNVDRBHSA-N -1 3 346.351 -1.092 20 0 EAADHM CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC000984133555 668849866 /nfs/dbraw/zinc/84/98/66/668849866.db2.gz HIWXCGPZJTXRLC-VHSXEESVSA-N -1 3 337.336 -1.533 20 0 EAADHM NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc(CNC(=O)C2CC2)cc(=O)[n-]1 ZINC000984134332 668849853 /nfs/dbraw/zinc/84/98/53/668849853.db2.gz NBOUTTAGJQRDKN-ZJUUUORDSA-N -1 3 333.348 -1.054 20 0 EAADHM CC(=O)NCc1cc(=O)[n-]c(CNC(=O)c2ccc(=O)n(C)n2)n1 ZINC000984135069 668849712 /nfs/dbraw/zinc/84/97/12/668849712.db2.gz UGJPFYXUIIIRSS-UHFFFAOYSA-N -1 3 332.320 -1.158 20 0 EAADHM CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCS(=O)(=O)N2)n1 ZINC000984137750 668849840 /nfs/dbraw/zinc/84/98/40/668849840.db2.gz ATTAKORQFFYYQA-SECBINFHSA-N -1 3 343.365 -1.874 20 0 EAADHM CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCS(=O)(=O)N2)n1 ZINC000984137756 668849665 /nfs/dbraw/zinc/84/96/65/668849665.db2.gz ATTAKORQFFYYQA-VIFPVBQESA-N -1 3 343.365 -1.874 20 0 EAADHM CC(=O)NCc1cc(=O)[n-]c(CNC(=O)c2nccnc2C(N)=O)n1 ZINC000984137814 668849696 /nfs/dbraw/zinc/84/96/96/668849696.db2.gz BDEHBOKRZCOBTG-UHFFFAOYSA-N -1 3 345.319 -1.363 20 0 EAADHM CC(=O)NCc1cc(=O)[n-]c(CNC(=O)C2CS(=O)(=O)C2)n1 ZINC000984138209 668849745 /nfs/dbraw/zinc/84/97/45/668849745.db2.gz FHMYUVNQSNKXFW-UHFFFAOYSA-N -1 3 328.350 -1.521 20 0 EAADHM O=C(NCc1cc(=O)[n-]c(CNC(=O)[C@H]2COC(=O)N2)n1)C1CC1 ZINC000984139101 668849660 /nfs/dbraw/zinc/84/96/60/668849660.db2.gz GQDQNHCPENUXDF-SECBINFHSA-N -1 3 335.320 -1.067 20 0 EAADHM O=C(NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2COC(=O)N2)n1)C1CC1 ZINC000984139116 668849642 /nfs/dbraw/zinc/84/96/42/668849642.db2.gz GQDQNHCPENUXDF-VIFPVBQESA-N -1 3 335.320 -1.067 20 0 EAADHM O=C(NCc1cc(=O)[n-]c(CNC(=O)c2cnon2)n1)c1cnon1 ZINC000984139335 668849672 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346.347 -1.491 20 0 EAADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)ccc1=O ZINC000991583094 669569209 /nfs/dbraw/zinc/56/92/09/669569209.db2.gz CAWNUEKJVJQPDN-JQWIXIFHSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)ccc1=O ZINC000991583096 669569609 /nfs/dbraw/zinc/56/96/09/669569609.db2.gz CAWNUEKJVJQPDN-PWSUYJOCSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)ccc1=O ZINC000991583097 669569662 /nfs/dbraw/zinc/56/96/62/669569662.db2.gz CAWNUEKJVJQPDN-ZYHUDNBSSA-N -1 3 346.347 -1.491 20 0 EAADHM COc1ccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991583114 669569707 /nfs/dbraw/zinc/56/97/07/669569707.db2.gz CEJDDOMGJSYXOV-GZMMTYOYSA-N -1 3 347.335 -1.391 20 0 EAADHM COc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991583116 669569680 /nfs/dbraw/zinc/56/96/80/669569680.db2.gz CEJDDOMGJSYXOV-KCJUWKMLSA-N -1 3 347.335 -1.391 20 0 EAADHM COc1ccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991583118 669569638 /nfs/dbraw/zinc/56/96/38/669569638.db2.gz CEJDDOMGJSYXOV-KWQFWETISA-N -1 3 347.335 -1.391 20 0 EAADHM COc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991583120 669569509 /nfs/dbraw/zinc/56/95/09/669569509.db2.gz CEJDDOMGJSYXOV-LDYMZIIASA-N -1 3 347.335 -1.391 20 0 EAADHM NC(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)[nH]1 ZINC000991583161 669569255 /nfs/dbraw/zinc/56/92/55/669569255.db2.gz CLZQOTJBWHNQTJ-CPCISQLKSA-N -1 3 347.335 -1.763 20 0 EAADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)[nH]1 ZINC000991583162 669569421 /nfs/dbraw/zinc/56/94/21/669569421.db2.gz CLZQOTJBWHNQTJ-HQJQHLMTSA-N -1 3 347.335 -1.763 20 0 EAADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)[nH]1 ZINC000991583163 669569479 /nfs/dbraw/zinc/56/94/79/669569479.db2.gz CLZQOTJBWHNQTJ-RDDDGLTNSA-N -1 3 347.335 -1.763 20 0 EAADHM NC(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)[nH]1 ZINC000991583165 669569397 /nfs/dbraw/zinc/56/93/97/669569397.db2.gz CLZQOTJBWHNQTJ-WRWORJQWSA-N -1 3 347.335 -1.763 20 0 EAADHM Cn1cncc1C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC000991583171 669569336 /nfs/dbraw/zinc/56/93/36/669569336.db2.gz WCRDDJHYGOFLTN-CMPLNLGQSA-N -1 3 346.347 -1.079 20 0 EAADHM Cn1cncc1C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC000991583172 669569586 /nfs/dbraw/zinc/56/95/86/669569586.db2.gz WCRDDJHYGOFLTN-JQWIXIFHSA-N -1 3 346.347 -1.079 20 0 EAADHM Cn1cncc1C(=O)N[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC000991583173 669569287 /nfs/dbraw/zinc/56/92/87/669569287.db2.gz WCRDDJHYGOFLTN-PWSUYJOCSA-N -1 3 346.347 -1.079 20 0 EAADHM Cn1cncc1C(=O)N[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC000991583174 669569668 /nfs/dbraw/zinc/56/96/68/669569668.db2.gz WCRDDJHYGOFLTN-ZYHUDNBSSA-N -1 3 346.347 -1.079 20 0 EAADHM COc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)ncn1 ZINC000991583503 669569218 /nfs/dbraw/zinc/56/92/18/669569218.db2.gz CSHKEPFESUNCLA-GZMMTYOYSA-N -1 3 347.335 -1.391 20 0 EAADHM COc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)ncn1 ZINC000991583504 669569269 /nfs/dbraw/zinc/56/92/69/669569269.db2.gz CSHKEPFESUNCLA-KCJUWKMLSA-N -1 3 347.335 -1.391 20 0 EAADHM COc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)ncn1 ZINC000991583507 669569542 /nfs/dbraw/zinc/56/95/42/669569542.db2.gz CSHKEPFESUNCLA-KWQFWETISA-N -1 3 347.335 -1.391 20 0 EAADHM COc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)ncn1 ZINC000991583510 669570321 /nfs/dbraw/zinc/57/03/21/669570321.db2.gz CSHKEPFESUNCLA-LDYMZIIASA-N -1 3 347.335 -1.391 20 0 EAADHM O=C(Cc1cncnc1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991583738 669570348 /nfs/dbraw/zinc/57/03/48/669570348.db2.gz ADCGZTJVUVQXCE-CMPLNLGQSA-N -1 3 331.336 -1.471 20 0 EAADHM O=C(Cc1cncnc1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991583739 669570191 /nfs/dbraw/zinc/57/01/91/669570191.db2.gz ADCGZTJVUVQXCE-JQWIXIFHSA-N -1 3 331.336 -1.471 20 0 EAADHM O=C(Cc1cncnc1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991583742 669570035 /nfs/dbraw/zinc/57/00/35/669570035.db2.gz ADCGZTJVUVQXCE-PWSUYJOCSA-N -1 3 331.336 -1.471 20 0 EAADHM O=C(Cc1cncnc1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991583744 669569907 /nfs/dbraw/zinc/56/99/07/669569907.db2.gz ADCGZTJVUVQXCE-ZYHUDNBSSA-N -1 3 331.336 -1.471 20 0 EAADHM CCn1ccc(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991584198 669570235 /nfs/dbraw/zinc/57/02/35/669570235.db2.gz FEKRNSKNVBIUFT-AAEUAGOBSA-N -1 3 347.379 -1.045 20 0 EAADHM CCn1ccc(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991584201 669570065 /nfs/dbraw/zinc/57/00/65/669570065.db2.gz FEKRNSKNVBIUFT-DGCLKSJQSA-N -1 3 347.379 -1.045 20 0 EAADHM CCn1ccc(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991584203 669570133 /nfs/dbraw/zinc/57/01/33/669570133.db2.gz FEKRNSKNVBIUFT-WCQYABFASA-N -1 3 347.379 -1.045 20 0 EAADHM CCn1ccc(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991584205 669570283 /nfs/dbraw/zinc/57/02/83/669570283.db2.gz FEKRNSKNVBIUFT-YPMHNXCESA-N -1 3 347.379 -1.045 20 0 EAADHM CCn1cc(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991584223 669570803 /nfs/dbraw/zinc/57/08/03/669570803.db2.gz FNKXMMRWRNHTGW-CMPLNLGQSA-N -1 3 348.367 -1.650 20 0 EAADHM CCn1cc(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991584224 669570827 /nfs/dbraw/zinc/57/08/27/669570827.db2.gz FNKXMMRWRNHTGW-JQWIXIFHSA-N -1 3 348.367 -1.650 20 0 EAADHM CCn1cc(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991584225 669570657 /nfs/dbraw/zinc/57/06/57/669570657.db2.gz FNKXMMRWRNHTGW-PWSUYJOCSA-N -1 3 348.367 -1.650 20 0 EAADHM CCn1cc(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991584226 669570954 /nfs/dbraw/zinc/57/09/54/669570954.db2.gz FNKXMMRWRNHTGW-ZYHUDNBSSA-N -1 3 348.367 -1.650 20 0 EAADHM O=C(CCc1cn[nH]c1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991584235 669570764 /nfs/dbraw/zinc/57/07/64/669570764.db2.gz FWHVWFVMCSOSSY-CMPLNLGQSA-N -1 3 333.352 -1.148 20 0 EAADHM O=C(CCc1cn[nH]c1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991584236 669571017 /nfs/dbraw/zinc/57/10/17/669571017.db2.gz FWHVWFVMCSOSSY-JQWIXIFHSA-N -1 3 333.352 -1.148 20 0 EAADHM O=C(CCc1cn[nH]c1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991584237 669570670 /nfs/dbraw/zinc/57/06/70/669570670.db2.gz FWHVWFVMCSOSSY-PWSUYJOCSA-N -1 3 333.352 -1.148 20 0 EAADHM O=C(CCc1cn[nH]c1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991584238 669570839 /nfs/dbraw/zinc/57/08/39/669570839.db2.gz FWHVWFVMCSOSSY-ZYHUDNBSSA-N -1 3 333.352 -1.148 20 0 EAADHM O=C(CCn1ccnn1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991584275 669570780 /nfs/dbraw/zinc/57/07/80/669570780.db2.gz BNCAIVIVJHNINT-GXSJLCMTSA-N -1 3 334.340 -1.822 20 0 EAADHM O=C(CCn1ccnn1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991584276 669571645 /nfs/dbraw/zinc/57/16/45/669571645.db2.gz BNCAIVIVJHNINT-KOLCDFICSA-N -1 3 334.340 -1.822 20 0 EAADHM O=C(CCn1ccnn1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991584277 669571501 /nfs/dbraw/zinc/57/15/01/669571501.db2.gz BNCAIVIVJHNINT-MWLCHTKSSA-N -1 3 334.340 -1.822 20 0 EAADHM O=C(CCn1ccnn1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991584278 669571625 /nfs/dbraw/zinc/57/16/25/669571625.db2.gz BNCAIVIVJHNINT-ONGXEEELSA-N -1 3 334.340 -1.822 20 0 EAADHM CCn1nc(C)c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991584288 669571495 /nfs/dbraw/zinc/57/14/95/669571495.db2.gz BSNLGMMTWGNYJU-GXSJLCMTSA-N -1 3 348.367 -1.270 20 0 EAADHM CCn1nc(C)c(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991584289 669571550 /nfs/dbraw/zinc/57/15/50/669571550.db2.gz BSNLGMMTWGNYJU-KOLCDFICSA-N -1 3 348.367 -1.270 20 0 EAADHM CCn1nc(C)c(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991584290 669571557 /nfs/dbraw/zinc/57/15/57/669571557.db2.gz BSNLGMMTWGNYJU-MWLCHTKSSA-N -1 3 348.367 -1.270 20 0 EAADHM CCn1nc(C)c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991584291 669571616 /nfs/dbraw/zinc/57/16/16/669571616.db2.gz BSNLGMMTWGNYJU-ONGXEEELSA-N -1 3 348.367 -1.270 20 0 EAADHM O=C(N[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1O)c1cn[n-]n1 ZINC000991584928 669570918 /nfs/dbraw/zinc/57/09/18/669570918.db2.gz GSNUIYFODYNCAI-GXSJLCMTSA-N -1 3 332.320 -1.089 20 0 EAADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1O)c1cn[n-]n1 ZINC000991584929 669570755 /nfs/dbraw/zinc/57/07/55/669570755.db2.gz GSNUIYFODYNCAI-KOLCDFICSA-N -1 3 332.320 -1.089 20 0 EAADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1O)c1cn[n-]n1 ZINC000991584937 669570773 /nfs/dbraw/zinc/57/07/73/669570773.db2.gz GSNUIYFODYNCAI-MWLCHTKSSA-N -1 3 332.320 -1.089 20 0 EAADHM O=C(N[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1O)c1cn[n-]n1 ZINC000991584941 669570820 /nfs/dbraw/zinc/57/08/20/669570820.db2.gz GSNUIYFODYNCAI-ONGXEEELSA-N -1 3 332.320 -1.089 20 0 EAADHM O=C(N[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@H]1O)c1cn[n-]n1 ZINC000991585092 669571607 /nfs/dbraw/zinc/57/16/07/669571607.db2.gz HKWUPOWQTYOJJA-PSASIEDQSA-N -1 3 343.365 -2.459 20 0 EAADHM O=C(N[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1O)c1cn[n-]n1 ZINC000991585093 669571515 /nfs/dbraw/zinc/57/15/15/669571515.db2.gz HKWUPOWQTYOJJA-SCZZXKLOSA-N -1 3 343.365 -2.459 20 0 EAADHM O=C(N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@H]1O)c1cn[n-]n1 ZINC000991585099 669571570 /nfs/dbraw/zinc/57/15/70/669571570.db2.gz HKWUPOWQTYOJJA-WCBMZHEXSA-N -1 3 343.365 -2.459 20 0 EAADHM O=C(N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1O)c1cn[n-]n1 ZINC000991585101 669571652 /nfs/dbraw/zinc/57/16/52/669571652.db2.gz HKWUPOWQTYOJJA-WPRPVWTQSA-N -1 3 343.365 -2.459 20 0 EAADHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991585104 669571576 /nfs/dbraw/zinc/57/15/76/669571576.db2.gz CFDOLXBYEVOQDQ-BXKDBHETSA-N -1 3 331.336 -1.091 20 0 EAADHM Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991585106 669571470 /nfs/dbraw/zinc/57/14/70/669571470.db2.gz CFDOLXBYEVOQDQ-CABZTGNLSA-N -1 3 331.336 -1.091 20 0 EAADHM Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991585108 669571589 /nfs/dbraw/zinc/57/15/89/669571589.db2.gz CFDOLXBYEVOQDQ-JOYOIKCWSA-N -1 3 331.336 -1.091 20 0 EAADHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991585110 669571510 /nfs/dbraw/zinc/57/15/10/669571510.db2.gz CFDOLXBYEVOQDQ-SKDRFNHKSA-N -1 3 331.336 -1.091 20 0 EAADHM O=C(CCc1cnccn1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991585420 669572266 /nfs/dbraw/zinc/57/22/66/669572266.db2.gz HQZYLUVWOAVZDK-AAEUAGOBSA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1cnccn1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991585422 669572092 /nfs/dbraw/zinc/57/20/92/669572092.db2.gz HQZYLUVWOAVZDK-DGCLKSJQSA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1cnccn1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991585424 669572436 /nfs/dbraw/zinc/57/24/36/669572436.db2.gz HQZYLUVWOAVZDK-WCQYABFASA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1cnccn1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991585426 669572453 /nfs/dbraw/zinc/57/24/53/669572453.db2.gz HQZYLUVWOAVZDK-YPMHNXCESA-N -1 3 345.363 -1.081 20 0 EAADHM CCOc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)[nH]n1 ZINC000991585454 669571536 /nfs/dbraw/zinc/57/15/36/669571536.db2.gz HSYUDNNCFXDSTM-GZMMTYOYSA-N -1 3 349.351 -1.068 20 0 EAADHM CCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)[nH]n1 ZINC000991585455 669571736 /nfs/dbraw/zinc/57/17/36/669571736.db2.gz HSYUDNNCFXDSTM-KCJUWKMLSA-N -1 3 349.351 -1.068 20 0 EAADHM CCOc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)[nH]n1 ZINC000991585456 669572178 /nfs/dbraw/zinc/57/21/78/669572178.db2.gz HSYUDNNCFXDSTM-KWQFWETISA-N -1 3 349.351 -1.068 20 0 EAADHM CCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)[nH]n1 ZINC000991585457 669572466 /nfs/dbraw/zinc/57/24/66/669572466.db2.gz HSYUDNNCFXDSTM-LDYMZIIASA-N -1 3 349.351 -1.068 20 0 EAADHM NC(=O)c1c[nH]c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)c1 ZINC000991585894 669572071 /nfs/dbraw/zinc/57/20/71/669572071.db2.gz ISZHIAPRGONWOY-GZMMTYOYSA-N -1 3 347.335 -1.763 20 0 EAADHM NC(=O)c1c[nH]c(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)c1 ZINC000991585896 669572480 /nfs/dbraw/zinc/57/24/80/669572480.db2.gz ISZHIAPRGONWOY-KCJUWKMLSA-N -1 3 347.335 -1.763 20 0 EAADHM NC(=O)c1c[nH]c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)c1 ZINC000991585899 669572503 /nfs/dbraw/zinc/57/25/03/669572503.db2.gz ISZHIAPRGONWOY-KWQFWETISA-N -1 3 347.335 -1.763 20 0 EAADHM NC(=O)c1c[nH]c(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)c1 ZINC000991585902 669572154 /nfs/dbraw/zinc/57/21/54/669572154.db2.gz ISZHIAPRGONWOY-LDYMZIIASA-N -1 3 347.335 -1.763 20 0 EAADHM O=C(Cn1ccccc1=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991586070 669572171 /nfs/dbraw/zinc/57/21/71/669572171.db2.gz JKMCHRGNFXGRLP-CMPLNLGQSA-N -1 3 346.347 -1.642 20 0 EAADHM O=C(Cn1ccccc1=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991586074 669572056 /nfs/dbraw/zinc/57/20/56/669572056.db2.gz JKMCHRGNFXGRLP-JQWIXIFHSA-N -1 3 346.347 -1.642 20 0 EAADHM O=C(Cn1ccccc1=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991586076 669572475 /nfs/dbraw/zinc/57/24/75/669572475.db2.gz JKMCHRGNFXGRLP-PWSUYJOCSA-N -1 3 346.347 -1.642 20 0 EAADHM O=C(Cn1ccccc1=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991586080 669572531 /nfs/dbraw/zinc/57/25/31/669572531.db2.gz JKMCHRGNFXGRLP-ZYHUDNBSSA-N -1 3 346.347 -1.642 20 0 EAADHM COc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1C ZINC000991586172 669572387 /nfs/dbraw/zinc/57/23/87/669572387.db2.gz JNLKQKSPISZDTC-GZMMTYOYSA-N -1 3 349.351 -1.448 20 0 EAADHM COc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1C ZINC000991586175 669572193 /nfs/dbraw/zinc/57/21/93/669572193.db2.gz JNLKQKSPISZDTC-KCJUWKMLSA-N -1 3 349.351 -1.448 20 0 EAADHM COc1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1C ZINC000991586179 669572308 /nfs/dbraw/zinc/57/23/08/669572308.db2.gz JNLKQKSPISZDTC-KWQFWETISA-N -1 3 349.351 -1.448 20 0 EAADHM COc1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1C ZINC000991586181 669572123 /nfs/dbraw/zinc/57/21/23/669572123.db2.gz JNLKQKSPISZDTC-LDYMZIIASA-N -1 3 349.351 -1.448 20 0 EAADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)ncc1=O ZINC000991586183 669572283 /nfs/dbraw/zinc/57/22/83/669572283.db2.gz JNULOKWXLLXMEC-GZMMTYOYSA-N -1 3 347.335 -2.096 20 0 EAADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)ncc1=O ZINC000991586189 669572382 /nfs/dbraw/zinc/57/23/82/669572382.db2.gz JNULOKWXLLXMEC-KCJUWKMLSA-N -1 3 347.335 -2.096 20 0 EAADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)ncc1=O ZINC000991586190 669572329 /nfs/dbraw/zinc/57/23/29/669572329.db2.gz JNULOKWXLLXMEC-KWQFWETISA-N -1 3 347.335 -2.096 20 0 EAADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)ncc1=O ZINC000991586191 669572415 /nfs/dbraw/zinc/57/24/15/669572415.db2.gz JNULOKWXLLXMEC-LDYMZIIASA-N -1 3 347.335 -2.096 20 0 EAADHM CCn1nnc(C)c1C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991586732 669573195 /nfs/dbraw/zinc/57/31/95/669573195.db2.gz KQSUKPJPIJOVEK-GXSJLCMTSA-N -1 3 348.367 -1.270 20 0 EAADHM CCn1nnc(C)c1C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991586736 669573021 /nfs/dbraw/zinc/57/30/21/669573021.db2.gz KQSUKPJPIJOVEK-KOLCDFICSA-N -1 3 348.367 -1.270 20 0 EAADHM CCn1nnc(C)c1C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991586740 669573162 /nfs/dbraw/zinc/57/31/62/669573162.db2.gz KQSUKPJPIJOVEK-MWLCHTKSSA-N -1 3 348.367 -1.270 20 0 EAADHM CCn1nnc(C)c1C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991586745 669573012 /nfs/dbraw/zinc/57/30/12/669573012.db2.gz KQSUKPJPIJOVEK-ONGXEEELSA-N -1 3 348.367 -1.270 20 0 EAADHM Cn1nc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)ccc1=O ZINC000991587103 669573185 /nfs/dbraw/zinc/57/31/85/669573185.db2.gz LAFJTTKSRMLQFJ-GZMMTYOYSA-N -1 3 347.335 -2.096 20 0 EAADHM Cn1nc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)ccc1=O ZINC000991587104 669572968 /nfs/dbraw/zinc/57/29/68/669572968.db2.gz LAFJTTKSRMLQFJ-KCJUWKMLSA-N -1 3 347.335 -2.096 20 0 EAADHM Cn1nc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)ccc1=O ZINC000991587106 669573451 /nfs/dbraw/zinc/57/34/51/669573451.db2.gz LAFJTTKSRMLQFJ-KWQFWETISA-N -1 3 347.335 -2.096 20 0 EAADHM Cn1nc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)ccc1=O ZINC000991587108 669573874 /nfs/dbraw/zinc/57/38/74/669573874.db2.gz LAFJTTKSRMLQFJ-LDYMZIIASA-N -1 3 347.335 -2.096 20 0 EAADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991587115 669573496 /nfs/dbraw/zinc/57/34/96/669573496.db2.gz LDELHRAHKOUNRC-BXKDBHETSA-N -1 3 348.367 -1.018 20 0 EAADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991587116 669573442 /nfs/dbraw/zinc/57/34/42/669573442.db2.gz LDELHRAHKOUNRC-CABZTGNLSA-N -1 3 348.367 -1.018 20 0 EAADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991587118 669573939 /nfs/dbraw/zinc/57/39/39/669573939.db2.gz LDELHRAHKOUNRC-JOYOIKCWSA-N -1 3 348.367 -1.018 20 0 EAADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991587120 669573826 /nfs/dbraw/zinc/57/38/26/669573826.db2.gz LDELHRAHKOUNRC-SKDRFNHKSA-N -1 3 348.367 -1.018 20 0 EAADHM CCCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991587185 669573462 /nfs/dbraw/zinc/57/34/62/669573462.db2.gz LSACFHCNQIXJCL-BXKDBHETSA-N -1 3 348.367 -1.188 20 0 EAADHM CCCn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991587189 669573865 /nfs/dbraw/zinc/57/38/65/669573865.db2.gz LSACFHCNQIXJCL-CABZTGNLSA-N -1 3 348.367 -1.188 20 0 EAADHM CCCn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991587191 669573546 /nfs/dbraw/zinc/57/35/46/669573546.db2.gz LSACFHCNQIXJCL-JOYOIKCWSA-N -1 3 348.367 -1.188 20 0 EAADHM CCCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991587192 669573573 /nfs/dbraw/zinc/57/35/73/669573573.db2.gz LSACFHCNQIXJCL-SKDRFNHKSA-N -1 3 348.367 -1.188 20 0 EAADHM Cc1c(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cnn1C ZINC000991587213 669573744 /nfs/dbraw/zinc/57/37/44/669573744.db2.gz LYDGHAISJLMJNV-AAEUAGOBSA-N -1 3 347.379 -1.219 20 0 EAADHM Cc1c(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)cnn1C ZINC000991587215 669573590 /nfs/dbraw/zinc/57/35/90/669573590.db2.gz LYDGHAISJLMJNV-DGCLKSJQSA-N -1 3 347.379 -1.219 20 0 EAADHM Cc1c(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)cnn1C ZINC000991587218 669573910 /nfs/dbraw/zinc/57/39/10/669573910.db2.gz LYDGHAISJLMJNV-WCQYABFASA-N -1 3 347.379 -1.219 20 0 EAADHM Cc1c(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cnn1C ZINC000991587219 669573897 /nfs/dbraw/zinc/57/38/97/669573897.db2.gz LYDGHAISJLMJNV-YPMHNXCESA-N -1 3 347.379 -1.219 20 0 EAADHM COc1ncc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)cn1 ZINC000991587235 669573484 /nfs/dbraw/zinc/57/34/84/669573484.db2.gz MCMGNMLKHKSXIQ-GXSJLCMTSA-N -1 3 347.335 -1.391 20 0 EAADHM COc1ncc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cn1 ZINC000991587238 669573795 /nfs/dbraw/zinc/57/37/95/669573795.db2.gz MCMGNMLKHKSXIQ-KOLCDFICSA-N -1 3 347.335 -1.391 20 0 EAADHM COc1ncc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)cn1 ZINC000991587239 669573888 /nfs/dbraw/zinc/57/38/88/669573888.db2.gz MCMGNMLKHKSXIQ-MWLCHTKSSA-N -1 3 347.335 -1.391 20 0 EAADHM COc1ncc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cn1 ZINC000991587240 669573671 /nfs/dbraw/zinc/57/36/71/669573671.db2.gz MCMGNMLKHKSXIQ-ONGXEEELSA-N -1 3 347.335 -1.391 20 0 EAADHM O=C(N[C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C[C@H]1O)c1cn[n-]n1 ZINC000991587243 669573696 /nfs/dbraw/zinc/57/36/96/669573696.db2.gz MEJRNQLKOSIWBG-BXKDBHETSA-N -1 3 345.363 -1.047 20 0 EAADHM O=C(N[C@H]1CCN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1O)c1cn[n-]n1 ZINC000991587244 669573772 /nfs/dbraw/zinc/57/37/72/669573772.db2.gz MEJRNQLKOSIWBG-CABZTGNLSA-N -1 3 345.363 -1.047 20 0 EAADHM O=C(N[C@H]1CCN(C(=O)c2cn3c(n2)CCC3)C[C@H]1O)c1cn[n-]n1 ZINC000991587252 669573473 /nfs/dbraw/zinc/57/34/73/669573473.db2.gz MEJRNQLKOSIWBG-JOYOIKCWSA-N -1 3 345.363 -1.047 20 0 EAADHM O=C(N[C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1O)c1cn[n-]n1 ZINC000991587256 669573641 /nfs/dbraw/zinc/57/36/41/669573641.db2.gz MEJRNQLKOSIWBG-SKDRFNHKSA-N -1 3 345.363 -1.047 20 0 EAADHM O=C(CCc1cncnc1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991587728 669574188 /nfs/dbraw/zinc/57/41/88/669574188.db2.gz MLRUZICERIMEAG-AAEUAGOBSA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1cncnc1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991587730 669574513 /nfs/dbraw/zinc/57/45/13/669574513.db2.gz MLRUZICERIMEAG-DGCLKSJQSA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1cncnc1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991587731 669574170 /nfs/dbraw/zinc/57/41/70/669574170.db2.gz MLRUZICERIMEAG-WCQYABFASA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1cncnc1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991587733 669574570 /nfs/dbraw/zinc/57/45/70/669574570.db2.gz MLRUZICERIMEAG-YPMHNXCESA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1ccncn1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991587803 669574277 /nfs/dbraw/zinc/57/42/77/669574277.db2.gz MRFHOUNCQGDHPS-AAEUAGOBSA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1ccncn1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991587806 669574382 /nfs/dbraw/zinc/57/43/82/669574382.db2.gz MRFHOUNCQGDHPS-DGCLKSJQSA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1ccncn1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991587807 669574108 /nfs/dbraw/zinc/57/41/08/669574108.db2.gz MRFHOUNCQGDHPS-WCQYABFASA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(CCc1ccncn1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991587810 669574406 /nfs/dbraw/zinc/57/44/06/669574406.db2.gz MRFHOUNCQGDHPS-YPMHNXCESA-N -1 3 345.363 -1.081 20 0 EAADHM O=C(N[C@H]1CCN(C(=O)c2cnn3cc[nH]c23)C[C@H]1O)c1cn[n-]n1 ZINC000991587954 669574534 /nfs/dbraw/zinc/57/45/34/669574534.db2.gz NBQLBABVXISYBH-GXSJLCMTSA-N -1 3 344.335 -1.214 20 0 EAADHM O=C(N[C@@H]1CCN(C(=O)c2cnn3cc[nH]c23)C[C@@H]1O)c1cn[n-]n1 ZINC000991587959 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Cc1ccnn1CC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991590162 669576437 /nfs/dbraw/zinc/57/64/37/669576437.db2.gz QRBFBWXQCLKJEF-JQWIXIFHSA-N -1 3 333.352 -1.299 20 0 EAADHM Cc1ccnn1CC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991590167 669576365 /nfs/dbraw/zinc/57/63/65/669576365.db2.gz QRBFBWXQCLKJEF-PWSUYJOCSA-N -1 3 333.352 -1.299 20 0 EAADHM Cc1ccnn1CC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991590171 669576349 /nfs/dbraw/zinc/57/63/49/669576349.db2.gz QRBFBWXQCLKJEF-ZYHUDNBSSA-N -1 3 333.352 -1.299 20 0 EAADHM Cn1cccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)c1=O ZINC000991590627 669576354 /nfs/dbraw/zinc/57/63/54/669576354.db2.gz RMYBFTWIGKPGJY-CMPLNLGQSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1cccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)c1=O ZINC000991590630 669577120 /nfs/dbraw/zinc/57/71/20/669577120.db2.gz RMYBFTWIGKPGJY-JQWIXIFHSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1cccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)c1=O ZINC000991590632 669577102 /nfs/dbraw/zinc/57/71/02/669577102.db2.gz RMYBFTWIGKPGJY-PWSUYJOCSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1cccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)c1=O ZINC000991590653 669577071 /nfs/dbraw/zinc/57/70/71/669577071.db2.gz RMYBFTWIGKPGJY-ZYHUDNBSSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1ccc(=O)c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)c1 ZINC000991591164 669577114 /nfs/dbraw/zinc/57/71/14/669577114.db2.gz RVNGBADAJJOTEH-GWCFXTLKSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1ccc(=O)c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)c1 ZINC000991591166 669577098 /nfs/dbraw/zinc/57/70/98/669577098.db2.gz RVNGBADAJJOTEH-GXFFZTMASA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1ccc(=O)c(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)c1 ZINC000991591168 669577068 /nfs/dbraw/zinc/57/70/68/669577068.db2.gz RVNGBADAJJOTEH-MFKMUULPSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1ccc(=O)c(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)c1 ZINC000991591171 669577085 /nfs/dbraw/zinc/57/70/85/669577085.db2.gz RVNGBADAJJOTEH-ZWNOBZJWSA-N -1 3 346.347 -1.491 20 0 EAADHM COc1cncc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991591326 669577117 /nfs/dbraw/zinc/57/71/17/669577117.db2.gz SMYYTHDJCFDHFE-GZMMTYOYSA-N -1 3 347.335 -1.391 20 0 EAADHM COc1cncc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991591339 669577061 /nfs/dbraw/zinc/57/70/61/669577061.db2.gz SMYYTHDJCFDHFE-KCJUWKMLSA-N -1 3 347.335 -1.391 20 0 EAADHM COc1cncc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991591344 669577151 /nfs/dbraw/zinc/57/71/51/669577151.db2.gz SMYYTHDJCFDHFE-KWQFWETISA-N -1 3 347.335 -1.391 20 0 EAADHM COc1cncc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991591351 669577045 /nfs/dbraw/zinc/57/70/45/669577045.db2.gz SMYYTHDJCFDHFE-LDYMZIIASA-N -1 3 347.335 -1.391 20 0 EAADHM CCn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991592071 669577783 /nfs/dbraw/zinc/57/77/83/669577783.db2.gz UEKHXNBYWKCWBV-GZMMTYOYSA-N -1 3 334.340 -1.579 20 0 EAADHM CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991592075 669577707 /nfs/dbraw/zinc/57/77/07/669577707.db2.gz UEKHXNBYWKCWBV-KCJUWKMLSA-N -1 3 334.340 -1.579 20 0 EAADHM CCn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC000991592078 669577477 /nfs/dbraw/zinc/57/74/77/669577477.db2.gz UEKHXNBYWKCWBV-KWQFWETISA-N -1 3 334.340 -1.579 20 0 EAADHM CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nn1 ZINC000991592082 669577765 /nfs/dbraw/zinc/57/77/65/669577765.db2.gz UEKHXNBYWKCWBV-LDYMZIIASA-N -1 3 334.340 -1.579 20 0 EAADHM Cc1ccn(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991592084 669577489 /nfs/dbraw/zinc/57/74/89/669577489.db2.gz UEOBWCDSVFOFIU-CMPLNLGQSA-N -1 3 333.352 -1.299 20 0 EAADHM Cc1ccn(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991592087 669577638 /nfs/dbraw/zinc/57/76/38/669577638.db2.gz UEOBWCDSVFOFIU-JQWIXIFHSA-N -1 3 333.352 -1.299 20 0 EAADHM Cc1ccn(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991592090 669577584 /nfs/dbraw/zinc/57/75/84/669577584.db2.gz UEOBWCDSVFOFIU-PWSUYJOCSA-N -1 3 333.352 -1.299 20 0 EAADHM Cc1ccn(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991592094 669577575 /nfs/dbraw/zinc/57/75/75/669577575.db2.gz UEOBWCDSVFOFIU-ZYHUDNBSSA-N -1 3 333.352 -1.299 20 0 EAADHM COc1nc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)co1 ZINC000991592176 669577721 /nfs/dbraw/zinc/57/77/21/669577721.db2.gz UMSCCXLTXCXDHN-GMSGAONNSA-N -1 3 336.308 -1.193 20 0 EAADHM COc1nc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)co1 ZINC000991592178 669577551 /nfs/dbraw/zinc/57/75/51/669577551.db2.gz UMSCCXLTXCXDHN-OIBJUYFYSA-N -1 3 336.308 -1.193 20 0 EAADHM COc1nc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)co1 ZINC000991592182 669577608 /nfs/dbraw/zinc/57/76/08/669577608.db2.gz UMSCCXLTXCXDHN-XCBNKYQSSA-N -1 3 336.308 -1.193 20 0 EAADHM COc1nc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)co1 ZINC000991592185 669577853 /nfs/dbraw/zinc/57/78/53/669577853.db2.gz UMSCCXLTXCXDHN-XVKPBYJWSA-N -1 3 336.308 -1.193 20 0 EAADHM Cn1cc(OCC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)cn1 ZINC000991592661 669577754 /nfs/dbraw/zinc/57/77/54/669577754.db2.gz UWCFCQIXTDNWFS-CMPLNLGQSA-N -1 3 349.351 -1.691 20 0 EAADHM Cn1cc(OCC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cn1 ZINC000991592667 669577814 /nfs/dbraw/zinc/57/78/14/669577814.db2.gz UWCFCQIXTDNWFS-JQWIXIFHSA-N -1 3 349.351 -1.691 20 0 EAADHM Cn1cc(OCC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cn1 ZINC000991592670 669578182 /nfs/dbraw/zinc/57/81/82/669578182.db2.gz UWCFCQIXTDNWFS-PWSUYJOCSA-N -1 3 349.351 -1.691 20 0 EAADHM Cn1cc(OCC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)cn1 ZINC000991592673 669578169 /nfs/dbraw/zinc/57/81/69/669578169.db2.gz UWCFCQIXTDNWFS-ZYHUDNBSSA-N -1 3 349.351 -1.691 20 0 EAADHM Cc1cc(=O)c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)c[nH]1 ZINC000991592827 669577627 /nfs/dbraw/zinc/57/76/27/669577627.db2.gz VKCFZKMCBXSFLO-GWCFXTLKSA-N -1 3 346.347 -1.193 20 0 EAADHM Cc1cc(=O)c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)c[nH]1 ZINC000991592829 669577534 /nfs/dbraw/zinc/57/75/34/669577534.db2.gz VKCFZKMCBXSFLO-GXFFZTMASA-N -1 3 346.347 -1.193 20 0 EAADHM Cc1cc(=O)c(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)c[nH]1 ZINC000991592834 669577795 /nfs/dbraw/zinc/57/77/95/669577795.db2.gz VKCFZKMCBXSFLO-MFKMUULPSA-N -1 3 346.347 -1.193 20 0 EAADHM Cc1cc(=O)c(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)c[nH]1 ZINC000991592835 669577731 /nfs/dbraw/zinc/57/77/31/669577731.db2.gz VKCFZKMCBXSFLO-ZWNOBZJWSA-N -1 3 346.347 -1.193 20 0 EAADHM NC(=O)c1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)co1 ZINC000991592869 669577514 /nfs/dbraw/zinc/57/75/14/669577514.db2.gz VPXCYWXZKBTAJT-PSASIEDQSA-N -1 3 348.319 -1.498 20 0 EAADHM NC(=O)c1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)co1 ZINC000991592870 669577738 /nfs/dbraw/zinc/57/77/38/669577738.db2.gz VPXCYWXZKBTAJT-SCZZXKLOSA-N -1 3 348.319 -1.498 20 0 EAADHM NC(=O)c1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)co1 ZINC000991592871 669577684 /nfs/dbraw/zinc/57/76/84/669577684.db2.gz VPXCYWXZKBTAJT-WCBMZHEXSA-N -1 3 348.319 -1.498 20 0 EAADHM NC(=O)c1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)co1 ZINC000991592873 669577524 /nfs/dbraw/zinc/57/75/24/669577524.db2.gz VPXCYWXZKBTAJT-WPRPVWTQSA-N -1 3 348.319 -1.498 20 0 EAADHM Cn1nccc1CCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991592976 669578289 /nfs/dbraw/zinc/57/82/89/669578289.db2.gz VTWUMLNLZHCJKD-AAEUAGOBSA-N -1 3 347.379 -1.137 20 0 EAADHM Cn1nccc1CCC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991592979 669578204 /nfs/dbraw/zinc/57/82/04/669578204.db2.gz VTWUMLNLZHCJKD-DGCLKSJQSA-N -1 3 347.379 -1.137 20 0 EAADHM Cn1nccc1CCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991592982 669578505 /nfs/dbraw/zinc/57/85/05/669578505.db2.gz VTWUMLNLZHCJKD-WCQYABFASA-N -1 3 347.379 -1.137 20 0 EAADHM Cn1nccc1CCC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991592984 669578587 /nfs/dbraw/zinc/57/85/87/669578587.db2.gz VTWUMLNLZHCJKD-YPMHNXCESA-N -1 3 347.379 -1.137 20 0 EAADHM Cn1c(=O)cccc1C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991592988 669578516 /nfs/dbraw/zinc/57/85/16/669578516.db2.gz VWUBPZRPEPQEPU-BXKDBHETSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1c(=O)cccc1C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991592998 669578342 /nfs/dbraw/zinc/57/83/42/669578342.db2.gz VWUBPZRPEPQEPU-CABZTGNLSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1c(=O)cccc1C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991593003 669578532 /nfs/dbraw/zinc/57/85/32/669578532.db2.gz VWUBPZRPEPQEPU-JOYOIKCWSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1c(=O)cccc1C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991593007 669578403 /nfs/dbraw/zinc/57/84/03/669578403.db2.gz VWUBPZRPEPQEPU-SKDRFNHKSA-N -1 3 346.347 -1.491 20 0 EAADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n(C)c1=O ZINC000991593699 669579204 /nfs/dbraw/zinc/57/92/04/669579204.db2.gz XPFYRCKLPOFWGN-GZMMTYOYSA-N -1 3 349.351 -2.153 20 0 EAADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n(C)c1=O ZINC000991594158 669578943 /nfs/dbraw/zinc/57/89/43/669578943.db2.gz XPFYRCKLPOFWGN-KCJUWKMLSA-N -1 3 349.351 -2.153 20 0 EAADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n(C)c1=O ZINC000991594159 669578860 /nfs/dbraw/zinc/57/88/60/669578860.db2.gz XPFYRCKLPOFWGN-KWQFWETISA-N -1 3 349.351 -2.153 20 0 EAADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n(C)c1=O ZINC000991594160 669578218 /nfs/dbraw/zinc/57/82/18/669578218.db2.gz XPFYRCKLPOFWGN-LDYMZIIASA-N -1 3 349.351 -2.153 20 0 EAADHM O=C(CCn1cnnn1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991594189 669578233 /nfs/dbraw/zinc/57/82/33/669578233.db2.gz XXRVWXKXWAFMFE-PSASIEDQSA-N -1 3 335.328 -2.427 20 0 EAADHM O=C(CCn1cnnn1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991594199 669578369 /nfs/dbraw/zinc/57/83/69/669578369.db2.gz XXRVWXKXWAFMFE-SCZZXKLOSA-N -1 3 335.328 -2.427 20 0 EAADHM O=C(CCn1cnnn1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991594200 669578112 /nfs/dbraw/zinc/57/81/12/669578112.db2.gz XXRVWXKXWAFMFE-WCBMZHEXSA-N -1 3 335.328 -2.427 20 0 EAADHM O=C(CCn1cnnn1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991594204 669579025 /nfs/dbraw/zinc/57/90/25/669579025.db2.gz XXRVWXKXWAFMFE-WPRPVWTQSA-N -1 3 335.328 -2.427 20 0 EAADHM Cn1ccc(CCC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991594305 669578869 /nfs/dbraw/zinc/57/88/69/669578869.db2.gz YDDHQZDITFYFLC-AAEUAGOBSA-N -1 3 347.379 -1.137 20 0 EAADHM Cn1ccc(CCC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991594309 669579126 /nfs/dbraw/zinc/57/91/26/669579126.db2.gz YDDHQZDITFYFLC-DGCLKSJQSA-N -1 3 347.379 -1.137 20 0 EAADHM Cn1ccc(CCC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991594311 669578814 /nfs/dbraw/zinc/57/88/14/669578814.db2.gz YDDHQZDITFYFLC-WCQYABFASA-N -1 3 347.379 -1.137 20 0 EAADHM Cn1ccc(CCC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991594316 669579224 /nfs/dbraw/zinc/57/92/24/669579224.db2.gz YDDHQZDITFYFLC-YPMHNXCESA-N -1 3 347.379 -1.137 20 0 EAADHM Cc1nccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991594447 669578988 /nfs/dbraw/zinc/57/89/88/669578988.db2.gz YMOWYUMDLPKYME-BXKDBHETSA-N -1 3 331.336 -1.091 20 0 EAADHM Cc1nccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991594451 669579161 /nfs/dbraw/zinc/57/91/61/669579161.db2.gz YMOWYUMDLPKYME-CABZTGNLSA-N -1 3 331.336 -1.091 20 0 EAADHM Cc1nccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC000991594453 669578821 /nfs/dbraw/zinc/57/88/21/669578821.db2.gz YMOWYUMDLPKYME-JOYOIKCWSA-N -1 3 331.336 -1.091 20 0 EAADHM Cc1nccc(C(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC000991594455 669578908 /nfs/dbraw/zinc/57/89/08/669578908.db2.gz YMOWYUMDLPKYME-SKDRFNHKSA-N -1 3 331.336 -1.091 20 0 EAADHM Cn1nccc1CC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991595640 669579512 /nfs/dbraw/zinc/57/95/12/669579512.db2.gz FFVUEBZXLLERNJ-CMPLNLGQSA-N -1 3 333.352 -1.528 20 0 EAADHM Cn1nccc1CC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991595641 669579564 /nfs/dbraw/zinc/57/95/64/669579564.db2.gz FFVUEBZXLLERNJ-JQWIXIFHSA-N -1 3 333.352 -1.528 20 0 EAADHM Cn1nccc1CC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991595642 669579710 /nfs/dbraw/zinc/57/97/10/669579710.db2.gz FFVUEBZXLLERNJ-PWSUYJOCSA-N -1 3 333.352 -1.528 20 0 EAADHM Cn1nccc1CC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991595643 669579812 /nfs/dbraw/zinc/57/98/12/669579812.db2.gz FFVUEBZXLLERNJ-ZYHUDNBSSA-N -1 3 333.352 -1.528 20 0 EAADHM Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2O)n1 ZINC000991596146 669579659 /nfs/dbraw/zinc/57/96/59/669579659.db2.gz BGTKIINKROKDMO-GXSJLCMTSA-N -1 3 347.335 -1.684 20 0 EAADHM Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@@H]2O)n1 ZINC000991596158 669579586 /nfs/dbraw/zinc/57/95/86/669579586.db2.gz BGTKIINKROKDMO-KOLCDFICSA-N -1 3 347.335 -1.684 20 0 EAADHM Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2O)n1 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ZINC000991602771 669586731 /nfs/dbraw/zinc/58/67/31/669586731.db2.gz OVSHPGAICOPHEL-GWCFXTLKSA-N -1 3 345.363 -1.047 20 0 EAADHM O=C(N[C@H]1CCN(C(=O)c2cc3n(n2)CCC3)C[C@H]1O)c1cn[n-]n1 ZINC000991602773 669586538 /nfs/dbraw/zinc/58/65/38/669586538.db2.gz OVSHPGAICOPHEL-GXFFZTMASA-N -1 3 345.363 -1.047 20 0 EAADHM O=C(N[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1O)c1cn[n-]n1 ZINC000991602775 669586821 /nfs/dbraw/zinc/58/68/21/669586821.db2.gz OVSHPGAICOPHEL-MFKMUULPSA-N -1 3 345.363 -1.047 20 0 EAADHM O=C(N[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)C[C@H]1O)c1cn[n-]n1 ZINC000991602777 669586575 /nfs/dbraw/zinc/58/65/75/669586575.db2.gz OVSHPGAICOPHEL-ZWNOBZJWSA-N -1 3 345.363 -1.047 20 0 EAADHM O=C(CC1OCCCO1)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC000991602852 669586706 /nfs/dbraw/zinc/58/67/06/669586706.db2.gz PLTSUDXXCZQPRG-GXSJLCMTSA-N -1 3 339.352 -1.351 20 0 EAADHM O=C(CC1OCCCO1)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991602854 669586701 /nfs/dbraw/zinc/58/67/01/669586701.db2.gz 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669587740 /nfs/dbraw/zinc/58/77/40/669587740.db2.gz RCMAPFGYNTUIEW-CMPLNLGQSA-N -1 3 333.352 -1.528 20 0 EAADHM Cn1cc(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cn1 ZINC000991603710 669588083 /nfs/dbraw/zinc/58/80/83/669588083.db2.gz RCMAPFGYNTUIEW-JQWIXIFHSA-N -1 3 333.352 -1.528 20 0 EAADHM Cn1cc(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cn1 ZINC000991603711 669587803 /nfs/dbraw/zinc/58/78/03/669587803.db2.gz RCMAPFGYNTUIEW-PWSUYJOCSA-N -1 3 333.352 -1.528 20 0 EAADHM Cn1cc(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)cn1 ZINC000991603712 669587952 /nfs/dbraw/zinc/58/79/52/669587952.db2.gz RCMAPFGYNTUIEW-ZYHUDNBSSA-N -1 3 333.352 -1.528 20 0 EAADHM Cc1c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)cnn1C ZINC000991604335 669588554 /nfs/dbraw/zinc/58/85/54/669588554.db2.gz SNBXYJAZFLXUCQ-CMPLNLGQSA-N -1 3 333.352 -1.148 20 0 EAADHM Cc1c(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cnn1C ZINC000991604351 669588726 /nfs/dbraw/zinc/58/87/26/669588726.db2.gz SNBXYJAZFLXUCQ-JQWIXIFHSA-N 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OKCQMQBCURLMLM-WPRPVWTQSA-N -1 3 346.351 -1.164 20 0 EAADHM C[C@@H](NC(=O)c1cnc[n-]c1=O)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001009669920 672574059 /nfs/dbraw/zinc/57/40/59/672574059.db2.gz FGZXFGKPOATNOA-PSASIEDQSA-N -1 3 337.336 -1.597 20 0 EAADHM C[C@@H](NC(=O)c1cnc[n-]c1=O)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001009669922 672574223 /nfs/dbraw/zinc/57/42/23/672574223.db2.gz FGZXFGKPOATNOA-SCZZXKLOSA-N -1 3 337.336 -1.597 20 0 EAADHM C[C@H](NC(=O)c1cnc[n-]c1=O)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001009669924 672574202 /nfs/dbraw/zinc/57/42/02/672574202.db2.gz FGZXFGKPOATNOA-WCBMZHEXSA-N -1 3 337.336 -1.597 20 0 EAADHM C[C@H](NC(=O)c1cnc[n-]c1=O)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001009669925 672574421 /nfs/dbraw/zinc/57/44/21/672574421.db2.gz FGZXFGKPOATNOA-WPRPVWTQSA-N -1 3 337.336 -1.597 20 0 EAADHM Cc1c(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)c3cn[n-]n3)C2)nnn1C ZINC001009670211 672574347 /nfs/dbraw/zinc/57/43/47/672574347.db2.gz FUOVKESGIKBRTM-GZMMTYOYSA-N -1 3 348.367 -1.099 20 0 EAADHM Cc1c(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)c3cn[n-]n3)C2)nnn1C ZINC001009670212 672574151 /nfs/dbraw/zinc/57/41/51/672574151.db2.gz FUOVKESGIKBRTM-KCJUWKMLSA-N -1 3 348.367 -1.099 20 0 EAADHM Cc1c(C(=O)N2CCO[C@H]([C@H](C)NC(=O)c3cn[n-]n3)C2)nnn1C ZINC001009670213 672574174 /nfs/dbraw/zinc/57/41/74/672574174.db2.gz FUOVKESGIKBRTM-KWQFWETISA-N -1 3 348.367 -1.099 20 0 EAADHM Cc1c(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)c3cn[n-]n3)C2)nnn1C ZINC001009670214 672574188 /nfs/dbraw/zinc/57/41/88/672574188.db2.gz FUOVKESGIKBRTM-LDYMZIIASA-N -1 3 348.367 -1.099 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001009680653 672575578 /nfs/dbraw/zinc/57/55/78/672575578.db2.gz NOVXPKGECRSNIC-PSASIEDQSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001009680655 672575336 /nfs/dbraw/zinc/57/53/36/672575336.db2.gz NOVXPKGECRSNIC-SCZZXKLOSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001009680657 672575181 /nfs/dbraw/zinc/57/51/81/672575181.db2.gz NOVXPKGECRSNIC-WCBMZHEXSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001009680659 672575552 /nfs/dbraw/zinc/57/55/52/672575552.db2.gz NOVXPKGECRSNIC-WPRPVWTQSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2cnn(C)c2N)CCO1 ZINC001009681285 672575368 /nfs/dbraw/zinc/57/53/68/672575368.db2.gz MUNGXLZPCYDJMA-GZMMTYOYSA-N -1 3 348.367 -1.220 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2cnn(C)c2N)CCO1 ZINC001009681287 672575528 /nfs/dbraw/zinc/57/55/28/672575528.db2.gz MUNGXLZPCYDJMA-KCJUWKMLSA-N -1 3 348.367 -1.220 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2cnn(C)c2N)CCO1 ZINC001009681288 672575516 /nfs/dbraw/zinc/57/55/16/672575516.db2.gz MUNGXLZPCYDJMA-KWQFWETISA-N -1 3 348.367 -1.220 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2cnn(C)c2N)CCO1 ZINC001009681289 672575226 /nfs/dbraw/zinc/57/52/26/672575226.db2.gz MUNGXLZPCYDJMA-LDYMZIIASA-N -1 3 348.367 -1.220 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001009681516 672575485 /nfs/dbraw/zinc/57/54/85/672575485.db2.gz PUCVIKWZCJXPFM-GZMMTYOYSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001009681519 672575537 /nfs/dbraw/zinc/57/55/37/672575537.db2.gz PUCVIKWZCJXPFM-KCJUWKMLSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001009681522 672575427 /nfs/dbraw/zinc/57/54/27/672575427.db2.gz PUCVIKWZCJXPFM-KWQFWETISA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001009681524 672575406 /nfs/dbraw/zinc/57/54/06/672575406.db2.gz PUCVIKWZCJXPFM-LDYMZIIASA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001009683713 672575897 /nfs/dbraw/zinc/57/58/97/672575897.db2.gz SFHXKKCMXKMWNR-GZMMTYOYSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001009683715 672576174 /nfs/dbraw/zinc/57/61/74/672576174.db2.gz SFHXKKCMXKMWNR-KCJUWKMLSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001009683717 672575954 /nfs/dbraw/zinc/57/59/54/672575954.db2.gz SFHXKKCMXKMWNR-KWQFWETISA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001009683719 672576005 /nfs/dbraw/zinc/57/60/05/672576005.db2.gz SFHXKKCMXKMWNR-LDYMZIIASA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001009686154 672575863 /nfs/dbraw/zinc/57/58/63/672575863.db2.gz QCHFSQSVGHKMSJ-CMPLNLGQSA-N -1 3 348.367 -1.168 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001009686155 672576094 /nfs/dbraw/zinc/57/60/94/672576094.db2.gz QCHFSQSVGHKMSJ-JQWIXIFHSA-N -1 3 348.367 -1.168 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001009686157 672575876 /nfs/dbraw/zinc/57/58/76/672575876.db2.gz QCHFSQSVGHKMSJ-PWSUYJOCSA-N -1 3 348.367 -1.168 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001009686158 672576121 /nfs/dbraw/zinc/57/61/21/672576121.db2.gz QCHFSQSVGHKMSJ-ZYHUDNBSSA-N -1 3 348.367 -1.168 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001009691090 672576825 /nfs/dbraw/zinc/57/68/25/672576825.db2.gz RFGKMONCWXOFQQ-PSASIEDQSA-N -1 3 335.328 -2.163 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001009691091 672576934 /nfs/dbraw/zinc/57/69/34/672576934.db2.gz RFGKMONCWXOFQQ-SCZZXKLOSA-N -1 3 335.328 -2.163 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001009691092 672577023 /nfs/dbraw/zinc/57/70/23/672577023.db2.gz RFGKMONCWXOFQQ-WCBMZHEXSA-N -1 3 335.328 -2.163 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001009691093 672576976 /nfs/dbraw/zinc/57/69/76/672576976.db2.gz RFGKMONCWXOFQQ-WPRPVWTQSA-N -1 3 335.328 -2.163 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001009699208 672577412 /nfs/dbraw/zinc/57/74/12/672577412.db2.gz PATAHEXSNJSHQP-GXSJLCMTSA-N -1 3 334.340 -1.558 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001009699211 672577459 /nfs/dbraw/zinc/57/74/59/672577459.db2.gz PATAHEXSNJSHQP-KOLCDFICSA-N -1 3 334.340 -1.558 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001009699213 672577476 /nfs/dbraw/zinc/57/74/76/672577476.db2.gz PATAHEXSNJSHQP-MWLCHTKSSA-N -1 3 334.340 -1.558 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)Cn2nccn2)CCO1 ZINC001009699215 672577364 /nfs/dbraw/zinc/57/73/64/672577364.db2.gz PATAHEXSNJSHQP-ONGXEEELSA-N -1 3 334.340 -1.558 20 0 EAADHM C[C@H](NC(=O)c1cnc[n-]c1=O)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001009703873 672578053 /nfs/dbraw/zinc/57/80/53/672578053.db2.gz DQHHESJUFWDBIK-GZMMTYOYSA-N -1 3 347.335 -1.040 20 0 EAADHM C[C@@H](NC(=O)c1cnc[n-]c1=O)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001009703874 672577903 /nfs/dbraw/zinc/57/79/03/672577903.db2.gz DQHHESJUFWDBIK-KCJUWKMLSA-N -1 3 347.335 -1.040 20 0 EAADHM C[C@H](NC(=O)c1cnc[n-]c1=O)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001009703875 672577883 /nfs/dbraw/zinc/57/78/83/672577883.db2.gz DQHHESJUFWDBIK-KWQFWETISA-N -1 3 347.335 -1.040 20 0 EAADHM C[C@@H](NC(=O)c1cnc[n-]c1=O)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001009703877 672578014 /nfs/dbraw/zinc/57/80/14/672578014.db2.gz DQHHESJUFWDBIK-LDYMZIIASA-N -1 3 347.335 -1.040 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001009708760 672578469 /nfs/dbraw/zinc/57/84/69/672578469.db2.gz LYAJQMIDYDHCCM-PSASIEDQSA-N -1 3 338.368 -1.338 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001009708761 672578603 /nfs/dbraw/zinc/57/86/03/672578603.db2.gz LYAJQMIDYDHCCM-SCZZXKLOSA-N -1 3 338.368 -1.338 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001009708763 672578499 /nfs/dbraw/zinc/57/84/99/672578499.db2.gz LYAJQMIDYDHCCM-WCBMZHEXSA-N -1 3 338.368 -1.338 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001009708765 672578570 /nfs/dbraw/zinc/57/85/70/672578570.db2.gz LYAJQMIDYDHCCM-WPRPVWTQSA-N -1 3 338.368 -1.338 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001009710081 672579222 /nfs/dbraw/zinc/57/92/22/672579222.db2.gz HPPQIZSBCJSGCR-GZMMTYOYSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001009710084 672579150 /nfs/dbraw/zinc/57/91/50/672579150.db2.gz HPPQIZSBCJSGCR-KCJUWKMLSA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001009710086 672579204 /nfs/dbraw/zinc/57/92/04/672579204.db2.gz HPPQIZSBCJSGCR-KWQFWETISA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001009710087 672578930 /nfs/dbraw/zinc/57/89/30/672578930.db2.gz HPPQIZSBCJSGCR-LDYMZIIASA-N -1 3 334.340 -1.407 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001009722423 672579753 /nfs/dbraw/zinc/57/97/53/672579753.db2.gz CSKXOOBJBODWII-APPZFPTMSA-N -1 3 335.328 -2.012 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001009722425 672579749 /nfs/dbraw/zinc/57/97/49/672579749.db2.gz CSKXOOBJBODWII-CBAPKCEASA-N -1 3 335.328 -2.012 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001009722427 672579736 /nfs/dbraw/zinc/57/97/36/672579736.db2.gz CSKXOOBJBODWII-IONNQARKSA-N -1 3 335.328 -2.012 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001009722428 672580290 /nfs/dbraw/zinc/58/02/90/672580290.db2.gz CSKXOOBJBODWII-VXNVDRBHSA-N -1 3 335.328 -2.012 20 0 EAADHM C[C@@H](NC(=O)c1cnc[n-]c1=O)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001009731096 672581156 /nfs/dbraw/zinc/58/11/56/672581156.db2.gz SIIZAOLJGTTYCY-PSASIEDQSA-N -1 3 347.335 -1.040 20 0 EAADHM C[C@@H](NC(=O)c1cnc[n-]c1=O)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001009731097 672581065 /nfs/dbraw/zinc/58/10/65/672581065.db2.gz SIIZAOLJGTTYCY-SCZZXKLOSA-N -1 3 347.335 -1.040 20 0 EAADHM C[C@H](NC(=O)c1cnc[n-]c1=O)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001009731098 672581224 /nfs/dbraw/zinc/58/12/24/672581224.db2.gz SIIZAOLJGTTYCY-WCBMZHEXSA-N -1 3 347.335 -1.040 20 0 EAADHM C[C@H](NC(=O)c1cnc[n-]c1=O)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001009731099 672581100 /nfs/dbraw/zinc/58/11/00/672581100.db2.gz SIIZAOLJGTTYCY-WPRPVWTQSA-N -1 3 347.335 -1.040 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001009735821 672582619 /nfs/dbraw/zinc/58/26/19/672582619.db2.gz DEGYPZPHAZOLKI-PSASIEDQSA-N -1 3 336.352 -1.584 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001009735834 672582701 /nfs/dbraw/zinc/58/27/01/672582701.db2.gz DEGYPZPHAZOLKI-SCZZXKLOSA-N -1 3 336.352 -1.584 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001009735848 672582487 /nfs/dbraw/zinc/58/24/87/672582487.db2.gz DEGYPZPHAZOLKI-WCBMZHEXSA-N -1 3 336.352 -1.584 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001009735855 672582513 /nfs/dbraw/zinc/58/25/13/672582513.db2.gz DEGYPZPHAZOLKI-WPRPVWTQSA-N -1 3 336.352 -1.584 20 0 EAADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001009737592 672583173 /nfs/dbraw/zinc/58/31/73/672583173.db2.gz GMZNOKRKTHLPBJ-GZMMTYOYSA-N -1 3 346.347 -1.211 20 0 EAADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001009737593 672583196 /nfs/dbraw/zinc/58/31/96/672583196.db2.gz GMZNOKRKTHLPBJ-KCJUWKMLSA-N -1 3 346.347 -1.211 20 0 EAADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001009737594 672583099 /nfs/dbraw/zinc/58/30/99/672583099.db2.gz GMZNOKRKTHLPBJ-KWQFWETISA-N -1 3 346.347 -1.211 20 0 EAADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001009737596 672583036 /nfs/dbraw/zinc/58/30/36/672583036.db2.gz GMZNOKRKTHLPBJ-LDYMZIIASA-N -1 3 346.347 -1.211 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001009743019 672584380 /nfs/dbraw/zinc/58/43/80/672584380.db2.gz UIGBFZYHGPKSOA-APPZFPTMSA-N -1 3 337.336 -1.678 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001009743023 672584707 /nfs/dbraw/zinc/58/47/07/672584707.db2.gz UIGBFZYHGPKSOA-CBAPKCEASA-N -1 3 337.336 -1.678 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001009743024 672584590 /nfs/dbraw/zinc/58/45/90/672584590.db2.gz UIGBFZYHGPKSOA-IONNQARKSA-N -1 3 337.336 -1.678 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001009743026 672584730 /nfs/dbraw/zinc/58/47/30/672584730.db2.gz UIGBFZYHGPKSOA-VXNVDRBHSA-N -1 3 337.336 -1.678 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001009744049 672584501 /nfs/dbraw/zinc/58/45/01/672584501.db2.gz MYHMEQZGHWBSPR-GXSJLCMTSA-N -1 3 349.355 -1.773 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001009744053 672584830 /nfs/dbraw/zinc/58/48/30/672584830.db2.gz MYHMEQZGHWBSPR-KOLCDFICSA-N -1 3 349.355 -1.773 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001009744059 672584686 /nfs/dbraw/zinc/58/46/86/672584686.db2.gz MYHMEQZGHWBSPR-MWLCHTKSSA-N -1 3 349.355 -1.773 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001009744064 672584369 /nfs/dbraw/zinc/58/43/69/672584369.db2.gz MYHMEQZGHWBSPR-ONGXEEELSA-N -1 3 349.355 -1.773 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001009761444 668385987 /nfs/dbraw/zinc/38/59/87/668385987.db2.gz VXHJZLWBCLIBBD-GXSJLCMTSA-N -1 3 334.340 -1.558 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001009761445 668385970 /nfs/dbraw/zinc/38/59/70/668385970.db2.gz VXHJZLWBCLIBBD-KOLCDFICSA-N -1 3 334.340 -1.558 20 0 EAADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001009761447 672587154 /nfs/dbraw/zinc/58/71/54/672587154.db2.gz VXHJZLWBCLIBBD-MWLCHTKSSA-N -1 3 334.340 -1.558 20 0 EAADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001009761448 672587080 /nfs/dbraw/zinc/58/70/80/672587080.db2.gz VXHJZLWBCLIBBD-ONGXEEELSA-N -1 3 334.340 -1.558 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C[C@H]2C1 ZINC001009841179 672588770 /nfs/dbraw/zinc/58/87/70/672588770.db2.gz AGWLYUZVMGLVJQ-GARJFASQSA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C[C@@H]2C1 ZINC001009841184 672588815 /nfs/dbraw/zinc/58/88/15/672588815.db2.gz AGWLYUZVMGLVJQ-GMTAPVOTSA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C[C@@H]2C1 ZINC001009841189 672588985 /nfs/dbraw/zinc/58/89/85/672588985.db2.gz AGWLYUZVMGLVJQ-HBNTYKKESA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@@H]2C[C@H](NC(=O)c3cn[n-]n3)CC[C@@H]2C1 ZINC001009841194 672588841 /nfs/dbraw/zinc/58/88/41/672588841.db2.gz AGWLYUZVMGLVJQ-OUAUKWLOSA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(Cn1ncnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C[C@H]2C1 ZINC001009856186 672588704 /nfs/dbraw/zinc/58/87/04/672588704.db2.gz QWDHDARLBQCPES-GARJFASQSA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(Cn1ncnn1)N1C[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C[C@@H]2C1 ZINC001009856187 672588534 /nfs/dbraw/zinc/58/85/34/672588534.db2.gz QWDHDARLBQCPES-GMTAPVOTSA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(Cn1ncnn1)N1C[C@@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C[C@@H]2C1 ZINC001009856188 672588588 /nfs/dbraw/zinc/58/85/88/672588588.db2.gz QWDHDARLBQCPES-HBNTYKKESA-N -1 3 345.367 -1.152 20 0 EAADHM O=C(Cn1ncnn1)N1C[C@@H]2C[C@H](NC(=O)c3cn[n-]n3)CC[C@@H]2C1 ZINC001009856189 672589004 /nfs/dbraw/zinc/58/90/04/672589004.db2.gz QWDHDARLBQCPES-OUAUKWLOSA-N -1 3 345.367 -1.152 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)c4cn[n-]n4)C[C@@H]3C2)n1 ZINC001009856785 672588889 /nfs/dbraw/zinc/58/88/89/672588889.db2.gz SVKLVZXLPOVXGA-AEJSXWLSSA-N -1 3 345.367 -1.001 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)c4cn[n-]n4)C[C@H]3C2)n1 ZINC001009856786 672588927 /nfs/dbraw/zinc/58/89/27/672588927.db2.gz SVKLVZXLPOVXGA-GUBZILKMSA-N -1 3 345.367 -1.001 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)c4cn[n-]n4)C[C@@H]3C2)n1 ZINC001009856787 672588973 /nfs/dbraw/zinc/58/89/73/672588973.db2.gz SVKLVZXLPOVXGA-IVZWLZJFSA-N -1 3 345.367 -1.001 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)c4cn[n-]n4)C[C@H]3C2)n1 ZINC001009856788 672588612 /nfs/dbraw/zinc/58/86/12/672588612.db2.gz SVKLVZXLPOVXGA-LPEHRKFASA-N -1 3 345.367 -1.001 20 0 EAADHM C[C@@H]1C[C@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1cnnn1 ZINC001009985130 672591388 /nfs/dbraw/zinc/59/13/88/672591388.db2.gz GAOMGOVBVNSGBO-NXEZZACHSA-N -1 3 346.351 -1.164 20 0 EAADHM C[C@H]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1cnnn1 ZINC001009985132 672591120 /nfs/dbraw/zinc/59/11/20/672591120.db2.gz GAOMGOVBVNSGBO-UWVGGRQHSA-N -1 3 346.351 -1.164 20 0 EAADHM C[C@H]1C[C@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1cnnn1 ZINC001009985133 672591425 /nfs/dbraw/zinc/59/14/25/672591425.db2.gz GAOMGOVBVNSGBO-VHSXEESVSA-N -1 3 346.351 -1.164 20 0 EAADHM C[C@@H]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1cnnn1 ZINC001009985134 672591205 /nfs/dbraw/zinc/59/12/05/672591205.db2.gz GAOMGOVBVNSGBO-ZJUUUORDSA-N -1 3 346.351 -1.164 20 0 EAADHM C[C@@H]1C[C@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1ncnn1 ZINC001010169214 672596340 /nfs/dbraw/zinc/59/63/40/672596340.db2.gz BDRMJKFGPYFDIG-NXEZZACHSA-N -1 3 346.351 -1.164 20 0 EAADHM C[C@H]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1ncnn1 ZINC001010169215 672596289 /nfs/dbraw/zinc/59/62/89/672596289.db2.gz BDRMJKFGPYFDIG-UWVGGRQHSA-N -1 3 346.351 -1.164 20 0 EAADHM C[C@H]1C[C@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1ncnn1 ZINC001010169216 672596159 /nfs/dbraw/zinc/59/61/59/672596159.db2.gz BDRMJKFGPYFDIG-VHSXEESVSA-N -1 3 346.351 -1.164 20 0 EAADHM C[C@@H]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1ncnn1 ZINC001010169218 672596743 /nfs/dbraw/zinc/59/67/43/672596743.db2.gz BDRMJKFGPYFDIG-ZJUUUORDSA-N -1 3 346.351 -1.164 20 0 EAADHM C[C@@H]1C[C@@H](CNC(=O)c2nnn(C)n2)CN1C(=O)c1cnc[n-]c1=O ZINC001010198252 672597140 /nfs/dbraw/zinc/59/71/40/672597140.db2.gz HDHJZVIGUKSGRD-BDAKNGLRSA-N -1 3 346.351 -1.014 20 0 EAADHM C[C@H]1C[C@H](CNC(=O)c2nnn(C)n2)CN1C(=O)c1cnc[n-]c1=O ZINC001010198254 672597326 /nfs/dbraw/zinc/59/73/26/672597326.db2.gz HDHJZVIGUKSGRD-DTWKUNHWSA-N -1 3 346.351 -1.014 20 0 EAADHM C[C@H]1C[C@@H](CNC(=O)c2nnn(C)n2)CN1C(=O)c1cnc[n-]c1=O ZINC001010198255 672597360 /nfs/dbraw/zinc/59/73/60/672597360.db2.gz HDHJZVIGUKSGRD-IUCAKERBSA-N -1 3 346.351 -1.014 20 0 EAADHM C[C@@H]1C[C@H](CNC(=O)c2nnn(C)n2)CN1C(=O)c1cnc[n-]c1=O ZINC001010198258 672597374 /nfs/dbraw/zinc/59/73/74/672597374.db2.gz HDHJZVIGUKSGRD-RKDXNWHRSA-N -1 3 346.351 -1.014 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001010255632 672600038 /nfs/dbraw/zinc/60/00/38/672600038.db2.gz PHQLXRMZYJCICU-UHFFFAOYSA-N -1 3 332.324 -1.538 20 0 EAADHM C[C@@H]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)c1nnn(C)n1 ZINC001010262565 672600600 /nfs/dbraw/zinc/60/06/00/672600600.db2.gz MDCQSUYICKHPBG-BDAKNGLRSA-N -1 3 346.351 -1.014 20 0 EAADHM C[C@H]1C[C@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)c1nnn(C)n1 ZINC001010262566 672600759 /nfs/dbraw/zinc/60/07/59/672600759.db2.gz MDCQSUYICKHPBG-DTWKUNHWSA-N -1 3 346.351 -1.014 20 0 EAADHM C[C@H]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)c1nnn(C)n1 ZINC001010262567 672600581 /nfs/dbraw/zinc/60/05/81/672600581.db2.gz MDCQSUYICKHPBG-IUCAKERBSA-N -1 3 346.351 -1.014 20 0 EAADHM C[C@@H]1C[C@H](CNC(=O)c2cnc[n-]c2=O)CN1C(=O)c1nnn(C)n1 ZINC001010262568 672600595 /nfs/dbraw/zinc/60/05/95/672600595.db2.gz MDCQSUYICKHPBG-RKDXNWHRSA-N -1 3 346.351 -1.014 20 0 EAADHM CS(=O)(=O)CC(=O)N1CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001010572771 668178198 /nfs/dbraw/zinc/17/81/98/668178198.db2.gz MTCBJVLUOQKGES-UHFFFAOYSA-N -1 3 328.350 -1.489 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001010581339 668186360 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331.336 -1.069 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001011848999 672693348 /nfs/dbraw/zinc/69/33/48/672693348.db2.gz GODOEVDKBBIEDF-RKDXNWHRSA-N -1 3 331.336 -1.069 20 0 EAADHM O=C(Cc1c[nH]cn1)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001011852002 672693826 /nfs/dbraw/zinc/69/38/26/672693826.db2.gz OXWXZFKOGFIKPL-UHFFFAOYSA-N -1 3 335.324 -1.674 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001011855191 672694298 /nfs/dbraw/zinc/69/42/98/672694298.db2.gz GJHSWBJGVBNUIH-PSASIEDQSA-N -1 3 341.393 -1.041 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001011855193 672694281 /nfs/dbraw/zinc/69/42/81/672694281.db2.gz GJHSWBJGVBNUIH-WCBMZHEXSA-N -1 3 341.393 -1.041 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001011855196 672694222 /nfs/dbraw/zinc/69/42/22/672694222.db2.gz GJHSWBJGVBNUIH-WPRPVWTQSA-N -1 3 341.393 -1.041 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001011857548 672694554 /nfs/dbraw/zinc/69/45/54/672694554.db2.gz RFTPPPHCHFRBSD-DTWKUNHWSA-N -1 3 334.340 -1.881 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001011857549 672694530 /nfs/dbraw/zinc/69/45/30/672694530.db2.gz RFTPPPHCHFRBSD-IUCAKERBSA-N -1 3 334.340 -1.881 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001011857550 672694741 /nfs/dbraw/zinc/69/47/41/672694741.db2.gz RFTPPPHCHFRBSD-RKDXNWHRSA-N -1 3 334.340 -1.881 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CCCNC1=O ZINC001011885224 672696838 /nfs/dbraw/zinc/69/68/38/672696838.db2.gz KJHJDUFWRFMETR-NXEZZACHSA-N -1 3 335.368 -1.061 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CCCNC1=O ZINC001011885225 672696889 /nfs/dbraw/zinc/69/68/89/672696889.db2.gz KJHJDUFWRFMETR-UWVGGRQHSA-N -1 3 335.368 -1.061 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CCCNC1=O ZINC001011885226 672696975 /nfs/dbraw/zinc/69/69/75/672696975.db2.gz KJHJDUFWRFMETR-VHSXEESVSA-N -1 3 335.368 -1.061 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001011893633 672697715 /nfs/dbraw/zinc/69/77/15/672697715.db2.gz OISAOALXOTXRBA-CBAPKCEASA-N -1 3 334.336 -1.423 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001011893634 672698024 /nfs/dbraw/zinc/69/80/24/672698024.db2.gz OISAOALXOTXRBA-IONNQARKSA-N -1 3 334.336 -1.423 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001011893636 672697924 /nfs/dbraw/zinc/69/79/24/672697924.db2.gz OISAOALXOTXRBA-VXNVDRBHSA-N -1 3 334.336 -1.423 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001011904270 672699260 /nfs/dbraw/zinc/69/92/60/672699260.db2.gz XXSKYUSCTUHQMO-JTQLQIEISA-N -1 3 333.348 -1.089 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001011904271 672699374 /nfs/dbraw/zinc/69/93/74/672699374.db2.gz XXSKYUSCTUHQMO-SNVBAGLBSA-N -1 3 333.348 -1.089 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCn1ncn(C)c1=O ZINC001011904910 672699117 /nfs/dbraw/zinc/69/91/17/672699117.db2.gz YWZZJLNKQPPQJN-NXEZZACHSA-N -1 3 348.367 -1.491 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCn1ncn(C)c1=O ZINC001011904915 672699397 /nfs/dbraw/zinc/69/93/97/672699397.db2.gz YWZZJLNKQPPQJN-UWVGGRQHSA-N -1 3 348.367 -1.491 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCn1ncn(C)c1=O ZINC001011904918 672699326 /nfs/dbraw/zinc/69/93/26/672699326.db2.gz YWZZJLNKQPPQJN-VHSXEESVSA-N -1 3 348.367 -1.491 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001011907270 672699860 /nfs/dbraw/zinc/69/98/60/672699860.db2.gz XTRKVJIRYYMFBB-JTQLQIEISA-N -1 3 348.363 -1.201 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001011907271 672699622 /nfs/dbraw/zinc/69/96/22/672699622.db2.gz XTRKVJIRYYMFBB-SNVBAGLBSA-N -1 3 348.363 -1.201 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001011911159 672700110 /nfs/dbraw/zinc/70/01/10/672700110.db2.gz XUOLOMPSPOUFDE-DTWKUNHWSA-N -1 3 349.351 -1.582 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001011911160 672700455 /nfs/dbraw/zinc/70/04/55/672700455.db2.gz XUOLOMPSPOUFDE-IUCAKERBSA-N -1 3 349.351 -1.582 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001011911161 672700071 /nfs/dbraw/zinc/70/00/71/672700071.db2.gz XUOLOMPSPOUFDE-RKDXNWHRSA-N -1 3 349.351 -1.582 20 0 EAADHM C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001011934367 672701748 /nfs/dbraw/zinc/70/17/48/672701748.db2.gz FSDFSODZPLHQIK-CPCISQLKSA-N -1 3 344.327 -1.225 20 0 EAADHM C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001011934368 672701740 /nfs/dbraw/zinc/70/17/40/672701740.db2.gz FSDFSODZPLHQIK-RDDDGLTNSA-N -1 3 344.327 -1.225 20 0 EAADHM C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001011934369 672701798 /nfs/dbraw/zinc/70/17/98/672701798.db2.gz FSDFSODZPLHQIK-WRWORJQWSA-N -1 3 344.327 -1.225 20 0 EAADHM C[C@@H]1[C@H](NC(=O)Cc2cnc[nH]2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011942149 672701851 /nfs/dbraw/zinc/70/18/51/672701851.db2.gz IAIZBHLALLHGSD-PSASIEDQSA-N -1 3 349.351 -1.239 20 0 EAADHM C[C@H]1[C@H](NC(=O)Cc2cnc[nH]2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011942152 672701794 /nfs/dbraw/zinc/70/17/94/672701794.db2.gz IAIZBHLALLHGSD-WCBMZHEXSA-N -1 3 349.351 -1.239 20 0 EAADHM C[C@H]1[C@@H](NC(=O)Cc2cnc[nH]2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001011942155 672701828 /nfs/dbraw/zinc/70/18/28/672701828.db2.gz IAIZBHLALLHGSD-WPRPVWTQSA-N -1 3 349.351 -1.239 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001011955293 672704255 /nfs/dbraw/zinc/70/42/55/672704255.db2.gz WULUQBQSPBTVGW-NXEZZACHSA-N -1 3 335.368 -2.044 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001011955294 672704404 /nfs/dbraw/zinc/70/44/04/672704404.db2.gz WULUQBQSPBTVGW-UWVGGRQHSA-N -1 3 335.368 -2.044 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001011955295 672704453 /nfs/dbraw/zinc/70/44/53/672704453.db2.gz WULUQBQSPBTVGW-VHSXEESVSA-N -1 3 335.368 -2.044 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC001011955889 672704987 /nfs/dbraw/zinc/70/49/87/672704987.db2.gz IOSGVKRUECFGBG-DTWKUNHWSA-N -1 3 331.336 -1.069 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC001011955892 672705009 /nfs/dbraw/zinc/70/50/09/672705009.db2.gz IOSGVKRUECFGBG-IUCAKERBSA-N -1 3 331.336 -1.069 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC001011955894 672704935 /nfs/dbraw/zinc/70/49/35/672704935.db2.gz IOSGVKRUECFGBG-RKDXNWHRSA-N -1 3 331.336 -1.069 20 0 EAADHM Cc1nn(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H]2C)c(=O)n1C ZINC001011961264 672705761 /nfs/dbraw/zinc/70/57/61/672705761.db2.gz YFHCPMHKOCKLGE-PSASIEDQSA-N -1 3 348.367 -1.572 20 0 EAADHM Cc1nn(CC(=O)N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H]2C)c(=O)n1C ZINC001011961265 672705749 /nfs/dbraw/zinc/70/57/49/672705749.db2.gz YFHCPMHKOCKLGE-WCBMZHEXSA-N -1 3 348.367 -1.572 20 0 EAADHM Cc1nn(CC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H]2C)c(=O)n1C ZINC001011961266 672705691 /nfs/dbraw/zinc/70/56/91/672705691.db2.gz YFHCPMHKOCKLGE-WPRPVWTQSA-N -1 3 348.367 -1.572 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)c1nnn(C)n1 ZINC001011971616 672707594 /nfs/dbraw/zinc/70/75/94/672707594.db2.gz KNFIDRZFIXCOSK-CBAPKCEASA-N -1 3 332.324 -1.261 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)c1nnn(C)n1 ZINC001011971617 672707748 /nfs/dbraw/zinc/70/77/48/672707748.db2.gz KNFIDRZFIXCOSK-IONNQARKSA-N -1 3 332.324 -1.261 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)c1nnn(C)n1 ZINC001011971618 672707756 /nfs/dbraw/zinc/70/77/56/672707756.db2.gz KNFIDRZFIXCOSK-VXNVDRBHSA-N -1 3 332.324 -1.261 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001011979572 672707997 /nfs/dbraw/zinc/70/79/97/672707997.db2.gz KHZSQKBTCRQMJM-NXEZZACHSA-N -1 3 346.351 -1.103 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC001011979574 672708221 /nfs/dbraw/zinc/70/82/21/672708221.db2.gz KHZSQKBTCRQMJM-UWVGGRQHSA-N -1 3 346.351 -1.103 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1C ZINC001011979576 672708108 /nfs/dbraw/zinc/70/81/08/672708108.db2.gz KHZSQKBTCRQMJM-VHSXEESVSA-N -1 3 346.351 -1.103 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001011982022 672708265 /nfs/dbraw/zinc/70/82/65/672708265.db2.gz YTEIULWJJAPDQW-NXEZZACHSA-N -1 3 346.351 -1.103 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC001011982023 672708231 /nfs/dbraw/zinc/70/82/31/672708231.db2.gz YTEIULWJJAPDQW-UWVGGRQHSA-N -1 3 346.351 -1.103 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H]1C ZINC001011982024 672708171 /nfs/dbraw/zinc/70/81/71/672708171.db2.gz YTEIULWJJAPDQW-VHSXEESVSA-N -1 3 346.351 -1.103 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CCn1cnnn1 ZINC001012008650 672710026 /nfs/dbraw/zinc/71/00/26/672710026.db2.gz GWMJDYDXOZPOBT-GXSJLCMTSA-N -1 3 346.351 -1.022 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CCn1cnnn1 ZINC001012008651 672710016 /nfs/dbraw/zinc/71/00/16/672710016.db2.gz GWMJDYDXOZPOBT-MWLCHTKSSA-N -1 3 346.351 -1.022 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CCn1cnnn1 ZINC001012008652 672709878 /nfs/dbraw/zinc/70/98/78/672709878.db2.gz GWMJDYDXOZPOBT-ONGXEEELSA-N -1 3 346.351 -1.022 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCN1C(=O)C(N)=O ZINC001012014757 672710978 /nfs/dbraw/zinc/71/09/78/672710978.db2.gz GCSOGAHABFOXHW-CPCISQLKSA-N -1 3 344.327 -1.225 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCN1C(=O)C(N)=O ZINC001012014758 672710930 /nfs/dbraw/zinc/71/09/30/672710930.db2.gz GCSOGAHABFOXHW-RDDDGLTNSA-N -1 3 344.327 -1.225 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCN1C(=O)C(N)=O ZINC001012014759 672711563 /nfs/dbraw/zinc/71/15/63/672711563.db2.gz GCSOGAHABFOXHW-WRWORJQWSA-N -1 3 344.327 -1.225 20 0 EAADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@H]2C)c(=O)[n-]1 ZINC001012023357 672712906 /nfs/dbraw/zinc/71/29/06/672712906.db2.gz IZMAPLRKAMDYIO-GZMMTYOYSA-N -1 3 335.364 -1.068 20 0 EAADHM Cc1nc(C)c(CC(=O)N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)c(=O)[n-]1 ZINC001012023358 672712862 /nfs/dbraw/zinc/71/28/62/672712862.db2.gz IZMAPLRKAMDYIO-KWQFWETISA-N -1 3 335.364 -1.068 20 0 EAADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C)c(=O)[n-]1 ZINC001012023359 672712940 /nfs/dbraw/zinc/71/29/40/672712940.db2.gz IZMAPLRKAMDYIO-LDYMZIIASA-N -1 3 335.364 -1.068 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001012055052 672713895 /nfs/dbraw/zinc/71/38/95/672713895.db2.gz WUEBNUPXDGKXHZ-UHFFFAOYSA-N -1 3 332.324 -1.388 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CCC(=O)NC1=O ZINC001012071583 672714215 /nfs/dbraw/zinc/71/42/15/672714215.db2.gz QXCCATTZWQRJRD-DTWKUNHWSA-N -1 3 349.351 -1.534 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CCC(=O)NC1=O ZINC001012071585 672714379 /nfs/dbraw/zinc/71/43/79/672714379.db2.gz QXCCATTZWQRJRD-IUCAKERBSA-N -1 3 349.351 -1.534 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN1CCC(=O)NC1=O ZINC001012071586 672714519 /nfs/dbraw/zinc/71/45/19/672714519.db2.gz QXCCATTZWQRJRD-RKDXNWHRSA-N -1 3 349.351 -1.534 20 0 EAADHM C[C@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001012085754 672716078 /nfs/dbraw/zinc/71/60/78/672716078.db2.gz STVYTSZZBQGWHX-DTWKUNHWSA-N -1 3 331.336 -1.069 20 0 EAADHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001012085755 672715872 /nfs/dbraw/zinc/71/58/72/672715872.db2.gz STVYTSZZBQGWHX-IUCAKERBSA-N -1 3 331.336 -1.069 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2cn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001012085756 672715991 /nfs/dbraw/zinc/71/59/91/672715991.db2.gz STVYTSZZBQGWHX-RKDXNWHRSA-N -1 3 331.336 -1.069 20 0 EAADHM 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/nfs/dbraw/zinc/71/80/32/672718032.db2.gz BFICREKBHIOUHU-IONNQARKSA-N -1 3 347.335 -1.032 20 0 EAADHM C[C@@H]1[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001012100069 672718198 /nfs/dbraw/zinc/71/81/98/672718198.db2.gz BFICREKBHIOUHU-VXNVDRBHSA-N -1 3 347.335 -1.032 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)CCn2cnnn2)CC1 ZINC001012107687 672718917 /nfs/dbraw/zinc/71/89/17/672718917.db2.gz AETIWGNQJSNQEM-UHFFFAOYSA-N -1 3 346.351 -1.148 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001012108555 672718852 /nfs/dbraw/zinc/71/88/52/672718852.db2.gz WLSWLDFJODCOJF-SECBINFHSA-N -1 3 334.336 -1.544 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001012108559 672718602 /nfs/dbraw/zinc/71/86/02/672718602.db2.gz WLSWLDFJODCOJF-VIFPVBQESA-N -1 3 334.336 -1.544 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001012108581 672718974 /nfs/dbraw/zinc/71/89/74/672718974.db2.gz XGKHYAVEJGJITO-ZJUUUORDSA-N -1 3 333.348 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ZINC001012272497 672723068 /nfs/dbraw/zinc/72/30/68/672723068.db2.gz ZDXYDHMLWUZYIN-DTWKUNHWSA-N -1 3 332.324 -1.412 20 0 EAADHM C[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1cnnn1 ZINC001012272498 672723107 /nfs/dbraw/zinc/72/31/07/672723107.db2.gz ZDXYDHMLWUZYIN-IUCAKERBSA-N -1 3 332.324 -1.412 20 0 EAADHM C[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1cnnn1 ZINC001012272499 672722897 /nfs/dbraw/zinc/72/28/97/672722897.db2.gz ZDXYDHMLWUZYIN-RKDXNWHRSA-N -1 3 332.324 -1.412 20 0 EAADHM C[C@@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)CS(C)(=O)=O ZINC001012361926 668857062 /nfs/dbraw/zinc/85/70/62/668857062.db2.gz OUCUKFBFYXEFDJ-BDAKNGLRSA-N -1 3 342.377 -1.054 20 0 EAADHM C[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)CS(C)(=O)=O ZINC001012361929 668857148 /nfs/dbraw/zinc/85/71/48/668857148.db2.gz OUCUKFBFYXEFDJ-DTWKUNHWSA-N -1 3 342.377 -1.054 20 0 EAADHM C[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)CS(C)(=O)=O ZINC001012361932 668857034 /nfs/dbraw/zinc/85/70/34/668857034.db2.gz OUCUKFBFYXEFDJ-IUCAKERBSA-N -1 3 342.377 -1.054 20 0 EAADHM C[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)CS(C)(=O)=O ZINC001012361939 668857092 /nfs/dbraw/zinc/85/70/92/668857092.db2.gz OUCUKFBFYXEFDJ-RKDXNWHRSA-N -1 3 342.377 -1.054 20 0 EAADHM C[C@@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)CN1CN=NC1=O ZINC001012507154 672731129 /nfs/dbraw/zinc/73/11/29/672731129.db2.gz MNNHARZZQMIQSR-BDAKNGLRSA-N -1 3 347.335 -1.101 20 0 EAADHM C[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)CN1CN=NC1=O ZINC001012507155 672731249 /nfs/dbraw/zinc/73/12/49/672731249.db2.gz MNNHARZZQMIQSR-DTWKUNHWSA-N -1 3 347.335 -1.101 20 0 EAADHM C[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)CN1CN=NC1=O ZINC001012507156 672731159 /nfs/dbraw/zinc/73/11/59/672731159.db2.gz MNNHARZZQMIQSR-IUCAKERBSA-N -1 3 347.335 -1.101 20 0 EAADHM C[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)CN1CN=NC1=O ZINC001012507157 672731078 /nfs/dbraw/zinc/73/10/78/672731078.db2.gz MNNHARZZQMIQSR-RKDXNWHRSA-N -1 3 347.335 -1.101 20 0 EAADHM C[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)CN1C(=O)CN1C(=O)CCC1=O ZINC001012599284 672735554 /nfs/dbraw/zinc/73/55/54/672735554.db2.gz RKMHNDUMNWYLBD-BDAKNGLRSA-N -1 3 334.336 -1.327 20 0 EAADHM C[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)CN1C(=O)CN1C(=O)CCC1=O ZINC001012599285 672735725 /nfs/dbraw/zinc/73/57/25/672735725.db2.gz RKMHNDUMNWYLBD-DTWKUNHWSA-N -1 3 334.336 -1.327 20 0 EAADHM C[C@H]1C[C@H](NC(=O)c2cn[n-]n2)CN1C(=O)CN1C(=O)CCC1=O ZINC001012599286 672735700 /nfs/dbraw/zinc/73/57/00/672735700.db2.gz RKMHNDUMNWYLBD-IUCAKERBSA-N -1 3 334.336 -1.327 20 0 EAADHM C[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)CN1C(=O)CN1C(=O)CCC1=O ZINC001012599287 672735738 /nfs/dbraw/zinc/73/57/38/672735738.db2.gz RKMHNDUMNWYLBD-RKDXNWHRSA-N -1 3 334.336 -1.327 20 0 EAADHM Cc1nc(C)c(CC(=O)N2C[C@H](NC(=O)C(N)=O)C[C@H]2C)c(=O)[n-]1 ZINC001012624539 672736120 /nfs/dbraw/zinc/73/61/20/672736120.db2.gz OBHBJVVCSFYELI-GMSGAONNSA-N -1 3 335.364 -1.068 20 0 EAADHM Cc1nc(C)c(CC(=O)N2C[C@H](NC(=O)C(N)=O)C[C@@H]2C)c(=O)[n-]1 ZINC001012624540 672736129 /nfs/dbraw/zinc/73/61/29/672736129.db2.gz OBHBJVVCSFYELI-OIBJUYFYSA-N -1 3 335.364 -1.068 20 0 EAADHM Cc1nc(C)c(CC(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@H]2C)c(=O)[n-]1 ZINC001012624541 672736083 /nfs/dbraw/zinc/73/60/83/672736083.db2.gz OBHBJVVCSFYELI-XCBNKYQSSA-N -1 3 335.364 -1.068 20 0 EAADHM Cc1nc(C)c(CC(=O)N2C[C@@H](NC(=O)C(N)=O)C[C@@H]2C)c(=O)[n-]1 ZINC001012624544 672736116 /nfs/dbraw/zinc/73/61/16/672736116.db2.gz OBHBJVVCSFYELI-XVKPBYJWSA-N -1 3 335.364 -1.068 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001012680911 672737247 /nfs/dbraw/zinc/73/72/47/672737247.db2.gz KECNURIKIWQJQY-PSASIEDQSA-N -1 3 346.351 -1.103 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001012680917 672737265 /nfs/dbraw/zinc/73/72/65/672737265.db2.gz KECNURIKIWQJQY-SCZZXKLOSA-N -1 3 346.351 -1.103 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001012680919 672737377 /nfs/dbraw/zinc/73/73/77/672737377.db2.gz KECNURIKIWQJQY-WCBMZHEXSA-N -1 3 346.351 -1.103 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001012680922 672737307 /nfs/dbraw/zinc/73/73/07/672737307.db2.gz KECNURIKIWQJQY-WPRPVWTQSA-N -1 3 346.351 -1.103 20 0 EAADHM C[C@@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1ncnn1 ZINC001012681827 672737756 /nfs/dbraw/zinc/73/77/56/672737756.db2.gz MNHVWVFEVXGUTG-BDAKNGLRSA-N -1 3 332.324 -1.412 20 0 EAADHM C[C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1ncnn1 ZINC001012681838 672737726 /nfs/dbraw/zinc/73/77/26/672737726.db2.gz MNHVWVFEVXGUTG-DTWKUNHWSA-N -1 3 332.324 -1.412 20 0 EAADHM C[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1ncnn1 ZINC001012681840 672737719 /nfs/dbraw/zinc/73/77/19/672737719.db2.gz MNHVWVFEVXGUTG-IUCAKERBSA-N -1 3 332.324 -1.412 20 0 EAADHM C[C@@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)CN1C(=O)Cn1ncnn1 ZINC001012681842 672737768 /nfs/dbraw/zinc/73/77/68/672737768.db2.gz MNHVWVFEVXGUTG-RKDXNWHRSA-N -1 3 332.324 -1.412 20 0 EAADHM 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Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)n[nH]1 ZINC001024297870 668635118 /nfs/dbraw/zinc/63/51/18/668635118.db2.gz DQEVWDBIHFITRG-GHMZBOCLSA-N -1 3 332.320 -1.171 20 0 EAADHM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)[nH]n1 ZINC001024297870 668635113 /nfs/dbraw/zinc/63/51/13/668635113.db2.gz DQEVWDBIHFITRG-GHMZBOCLSA-N -1 3 332.320 -1.171 20 0 EAADHM Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)cn1 ZINC001024297877 668635156 /nfs/dbraw/zinc/63/51/56/668635156.db2.gz FGCBUTSLFCQTGI-GHMZBOCLSA-N -1 3 332.320 -1.469 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnns2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024297886 668635336 /nfs/dbraw/zinc/63/53/36/668635336.db2.gz FRWGPECBUPGCKC-HTQZYQBOSA-N -1 3 336.333 -1.351 20 0 EAADHM O=C(Cn1cccn1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024297935 668635395 /nfs/dbraw/zinc/63/53/95/668635395.db2.gz GENLIOIUIJWETN-GHMZBOCLSA-N -1 3 332.320 -1.620 20 0 EAADHM O=C(CN1CCCC1=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024297971 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O=C(N[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024298083 668635032 /nfs/dbraw/zinc/63/50/32/668635032.db2.gz MAPHBCDNKVMGMZ-NXEZZACHSA-N -1 3 346.303 -1.707 20 0 EAADHM Cc1ncncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024298119 668635260 /nfs/dbraw/zinc/63/52/60/668635260.db2.gz NQUSUSUZUJSLNV-VXGBXAGGSA-N -1 3 344.331 -1.104 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024298268 668635365 /nfs/dbraw/zinc/63/53/65/668635365.db2.gz SYDDFDVDZVYFSI-RKDXNWHRSA-N -1 3 336.333 -1.351 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024298269 668635800 /nfs/dbraw/zinc/63/58/00/668635800.db2.gz SYGGDQDJYDDIAU-RKDXNWHRSA-N -1 3 334.296 -2.830 20 0 EAADHM Cc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)cn1 ZINC001024298272 668635579 /nfs/dbraw/zinc/63/55/79/668635579.db2.gz TVJRWCOCMTYGGX-VXGBXAGGSA-N -1 3 344.331 -1.104 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024298312 668635779 /nfs/dbraw/zinc/63/57/79/668635779.db2.gz VPFCIIWUWUKTGB-NXEZZACHSA-N -1 3 336.304 -1.628 20 0 EAADHM O=C(CCn1cccn1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024298369 668635845 /nfs/dbraw/zinc/63/58/45/668635845.db2.gz XMGSZQPAGRQJPP-VXGBXAGGSA-N -1 3 346.347 -1.230 20 0 EAADHM CCn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)n1 ZINC001024298429 668635868 /nfs/dbraw/zinc/63/58/68/668635868.db2.gz AFBUAGDAHITWQY-GHMZBOCLSA-N -1 3 347.335 -1.591 20 0 EAADHM Cc1nc[nH]c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024298430 668635646 /nfs/dbraw/zinc/63/56/46/668635646.db2.gz AJMNVOLSIYVUNA-VXGBXAGGSA-N -1 3 346.347 -1.242 20 0 EAADHM Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)nn1 ZINC001024298432 668635650 /nfs/dbraw/zinc/63/56/50/668635650.db2.gz ANLKKLUFPIFDHU-PSASIEDQSA-N -1 3 333.308 -2.074 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024298433 668635827 /nfs/dbraw/zinc/63/58/27/668635827.db2.gz ANOVYUJLAAGRRU-HRDYMLBCSA-N -1 3 337.292 -2.408 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024298434 668635814 /nfs/dbraw/zinc/63/58/14/668635814.db2.gz ANOVYUJLAAGRRU-IWSPIJDZSA-N -1 3 337.292 -2.408 20 0 EAADHM Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)n1 ZINC001024298436 668635690 /nfs/dbraw/zinc/63/56/90/668635690.db2.gz APJXKWLSBSXTGR-RKDXNWHRSA-N -1 3 333.308 -2.074 20 0 EAADHM O=C(CCn1ccnn1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024298452 668635728 /nfs/dbraw/zinc/63/57/28/668635728.db2.gz BDODIPJCRLLJIG-GHMZBOCLSA-N -1 3 347.335 -1.835 20 0 EAADHM Cn1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)c1N ZINC001024298455 668635676 /nfs/dbraw/zinc/63/56/76/668635676.db2.gz BLBQINZCUDWUIL-NXEZZACHSA-N -1 3 347.335 -1.887 20 0 EAADHM Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)nn1 ZINC001024298499 668635683 /nfs/dbraw/zinc/63/56/83/668635683.db2.gz CCYOOMUVMSKBOT-VXGBXAGGSA-N -1 3 344.331 -1.104 20 0 EAADHM CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)nn1 ZINC001024298536 668635894 /nfs/dbraw/zinc/63/58/94/668635894.db2.gz DJIFLOGQRGIBCA-MWLCHTKSSA-N -1 3 347.335 -1.591 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024298571 668635805 /nfs/dbraw/zinc/63/58/05/668635805.db2.gz DWUYSIFAJJBUDB-GHMZBOCLSA-N -1 3 330.304 -1.413 20 0 EAADHM Cc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)[nH]n1 ZINC001024298577 668635796 /nfs/dbraw/zinc/63/57/96/668635796.db2.gz FANVPWJEJOJWAQ-VXGBXAGGSA-N -1 3 346.347 -1.242 20 0 EAADHM Cn1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)c1 ZINC001024298594 668635636 /nfs/dbraw/zinc/63/56/36/668635636.db2.gz FLSQSRIFPYSDFM-MWLCHTKSSA-N -1 3 332.320 -1.469 20 0 EAADHM CCn1nncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024298605 668635877 /nfs/dbraw/zinc/63/58/77/668635877.db2.gz FRZVDIXIELAIMK-MWLCHTKSSA-N -1 3 347.335 -1.591 20 0 EAADHM C[C@@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)CCC(=O)N1 ZINC001024298615 668635888 /nfs/dbraw/zinc/63/58/88/668635888.db2.gz FZMPEMSOGKXUGT-FCHSOHFDSA-N -1 3 349.347 -1.848 20 0 EAADHM O=C(Cc1ncc[nH]1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024298645 668635762 /nfs/dbraw/zinc/63/57/62/668635762.db2.gz GPOWRUGGDFJVIC-NXEZZACHSA-N -1 3 332.320 -1.551 20 0 EAADHM Cn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)cn1 ZINC001024298653 668635724 /nfs/dbraw/zinc/63/57/24/668635724.db2.gz HBVYTUQFFHLBPL-VXGBXAGGSA-N -1 3 346.347 -1.540 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024298655 668635607 /nfs/dbraw/zinc/63/56/07/668635607.db2.gz HDIPYLCEUGGOPJ-NXEZZACHSA-N -1 3 346.303 -2.119 20 0 EAADHM Nc1nccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024298668 668635705 /nfs/dbraw/zinc/63/57/05/668635705.db2.gz HNLWYUYQMQGLFL-RKDXNWHRSA-N -1 3 345.319 -1.830 20 0 EAADHM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)cnn1 ZINC001024298670 668635595 /nfs/dbraw/zinc/63/55/95/668635595.db2.gz 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EAADHM COC1CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)C1 ZINC001024300100 668634057 /nfs/dbraw/zinc/63/40/57/668634057.db2.gz HNNUZQPVSLKJFW-ALWXLRNYSA-N -1 3 336.348 -1.091 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024300113 668634054 /nfs/dbraw/zinc/63/40/54/668634054.db2.gz IHZFHEPBVDRPEB-GPCCPHFNSA-N -1 3 340.311 -1.388 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024300114 668633937 /nfs/dbraw/zinc/63/39/37/668633937.db2.gz IHZFHEPBVDRPEB-RULNRJAQSA-N -1 3 340.311 -1.388 20 0 EAADHM Cc1ncn(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300243 668634142 /nfs/dbraw/zinc/63/41/42/668634142.db2.gz IMLLKMXTNOLOTB-GHMZBOCLSA-N -1 3 346.347 -1.161 20 0 EAADHM O=C(Cc1cnc[nH]1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300247 668634021 /nfs/dbraw/zinc/63/40/21/668634021.db2.gz IYGFVGHUGGUYCZ-GHMZBOCLSA-N -1 3 332.320 -1.551 20 0 EAADHM Cn1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)c[nH]c1=O ZINC001024300261 668634089 /nfs/dbraw/zinc/63/40/89/668634089.db2.gz KCCAOOSDMGYHSI-PSASIEDQSA-N -1 3 348.319 -1.763 20 0 EAADHM Cc1nc[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300273 668634063 /nfs/dbraw/zinc/63/40/63/668634063.db2.gz LBNWQECGQVADCS-NXEZZACHSA-N -1 3 332.320 -1.171 20 0 EAADHM Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)n1 ZINC001024300274 668633901 /nfs/dbraw/zinc/63/39/01/668633901.db2.gz LCKJXJONWCQEBX-VXGBXAGGSA-N -1 3 346.347 -1.311 20 0 EAADHM C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300276 668634169 /nfs/dbraw/zinc/63/41/69/668634169.db2.gz LHJRJTXJOWKNPS-HKWIRBFKSA-N -1 3 336.348 -1.091 20 0 EAADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300282 668634195 /nfs/dbraw/zinc/63/41/95/668634195.db2.gz LZVHMGJUNPSXFU-RKDXNWHRSA-N -1 3 348.319 -1.465 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1O)c1cnc[n-]c1=O ZINC001024300284 668634101 /nfs/dbraw/zinc/63/41/01/668634101.db2.gz MCHPUFRAOXOBMA-FBIMIBRVSA-N -1 3 349.347 -1.990 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1O)c1cnc[n-]c1=O ZINC001024300285 668634138 /nfs/dbraw/zinc/63/41/38/668634138.db2.gz MCHPUFRAOXOBMA-JMJZKYOTSA-N -1 3 349.347 -1.990 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1O)c1cnc[n-]c1=O ZINC001024300295 668634214 /nfs/dbraw/zinc/63/42/14/668634214.db2.gz MRPXHGMHFSPGRU-GHMZBOCLSA-N -1 3 330.304 -1.413 20 0 EAADHM Cc1cnn(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300300 668634133 /nfs/dbraw/zinc/63/41/33/668634133.db2.gz NBIHNBIDDYNPBZ-GHMZBOCLSA-N -1 3 346.347 -1.161 20 0 EAADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300451 668634208 /nfs/dbraw/zinc/63/42/08/668634208.db2.gz RIYZUPMQYBLUJP-BKFJMODKSA-N -1 3 335.320 -2.395 20 0 EAADHM O=C(Cc1cnoc1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300476 668634045 /nfs/dbraw/zinc/63/40/45/668634045.db2.gz SZCRIUSJCOEDJX-GHMZBOCLSA-N -1 3 333.304 -1.286 20 0 EAADHM CN1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)C1=O ZINC001024300479 668633896 /nfs/dbraw/zinc/63/38/96/668633896.db2.gz TXRDTAXEELYMRY-FBIMIBRVSA-N -1 3 349.347 -2.038 20 0 EAADHM CN1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)C1=O ZINC001024300480 668634128 /nfs/dbraw/zinc/63/41/28/668634128.db2.gz TXRDTAXEELYMRY-JMJZKYOTSA-N -1 3 349.347 -2.038 20 0 EAADHM Cc1ccnn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300495 668633930 /nfs/dbraw/zinc/63/39/30/668633930.db2.gz UTIDZPWGJGKANE-VXGBXAGGSA-N -1 3 346.347 -1.311 20 0 EAADHM Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)n1C ZINC001024300527 668633984 /nfs/dbraw/zinc/63/39/84/668633984.db2.gz XCKFZKWSNDPDEZ-ZYHUDNBSSA-N -1 3 346.347 -1.161 20 0 EAADHM O=C(Cn1cncn1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024300545 668633942 /nfs/dbraw/zinc/63/39/42/668633942.db2.gz ZDIKWOLQIRRDHB-NXEZZACHSA-N -1 3 333.308 -2.225 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)n1 ZINC001024300554 668634083 /nfs/dbraw/zinc/63/40/83/668634083.db2.gz ZRLOZFIJGMGIMX-HTQZYQBOSA-N -1 3 334.296 -2.679 20 0 EAADHM O=C(CCc1cn[nH]c1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024301583 668634593 /nfs/dbraw/zinc/63/45/93/668634593.db2.gz BXFBGSURKACCNS-VXGBXAGGSA-N -1 3 346.347 -1.160 20 0 EAADHM O=C(CCc1c[nH]cn1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024301616 668634519 /nfs/dbraw/zinc/63/45/19/668634519.db2.gz FLEPQWNETJKZPP-VXGBXAGGSA-N -1 3 346.347 -1.160 20 0 EAADHM Cc1nonc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024301621 668634690 /nfs/dbraw/zinc/63/46/90/668634690.db2.gz FQAXDTFQOVKASO-RKDXNWHRSA-N -1 3 334.292 -1.511 20 0 EAADHM O=C(CCn1ccnc1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001024301625 668634529 /nfs/dbraw/zinc/63/45/29/668634529.db2.gz FXXLKOBSMWLQQQ-VXGBXAGGSA-N -1 3 346.347 -1.230 20 0 EAADHM Cn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)n1 ZINC001024301626 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ZINC001024353805 668639442 /nfs/dbraw/zinc/63/94/42/668639442.db2.gz BYBYOSIKTHBSPX-UIISKDMLSA-N -1 3 337.296 -3.296 20 0 EAADHM O=C(Cc1[nH]c(O)nc1O)N[C@@H]1CN(C(=O)c2c[n-]nn2)C[C@H]1O ZINC001024353805 668639440 /nfs/dbraw/zinc/63/94/40/668639440.db2.gz BYBYOSIKTHBSPX-UIISKDMLSA-N -1 3 337.296 -3.296 20 0 EAADHM O=C(Cn1ccnc1)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001024417404 668644705 /nfs/dbraw/zinc/64/47/05/668644705.db2.gz SHZNOPRTKULVHA-GHMZBOCLSA-N -1 3 332.320 -1.620 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001024421249 668645739 /nfs/dbraw/zinc/64/57/39/668645739.db2.gz YPQSDGGPVVQMDR-GHMZBOCLSA-N -1 3 346.347 -1.311 20 0 EAADHM Cc1nonc1C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001024428309 668647685 /nfs/dbraw/zinc/64/76/85/668647685.db2.gz DQOWKHWGGWQKPV-RKDXNWHRSA-N -1 3 334.292 -1.511 20 0 EAADHM Cc1nonc1C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001024429154 668648098 /nfs/dbraw/zinc/64/80/98/668648098.db2.gz JYHWIRAENWONBV-RKDXNWHRSA-N -1 3 348.319 -1.203 20 0 EAADHM Cn1cncc1C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001024471020 668652406 /nfs/dbraw/zinc/65/24/06/668652406.db2.gz WLLSIHCKZRGTOM-MWLCHTKSSA-N -1 3 332.320 -1.469 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncn2C)C1 ZINC001024471966 668652352 /nfs/dbraw/zinc/65/23/52/668652352.db2.gz UISCGBBPYANOHJ-MWLCHTKSSA-N -1 3 346.347 -1.161 20 0 EAADHM NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC001024490973 668654045 /nfs/dbraw/zinc/65/40/45/668654045.db2.gz PLVONIHJRGDORB-DGCLKSJQSA-N -1 3 344.327 -1.685 20 0 EAADHM CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001024502523 668654855 /nfs/dbraw/zinc/65/48/55/668654855.db2.gz QIKAXSOMLNEMAI-FRRDWIJNSA-N -1 3 349.391 -1.032 20 0 EAADHM CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001024502525 668655259 /nfs/dbraw/zinc/65/52/59/668655259.db2.gz QIKAXSOMLNEMAI-JHJVBQTASA-N -1 3 349.391 -1.032 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)[C@@H]1CCC(=O)NC1 ZINC001024531491 668658663 /nfs/dbraw/zinc/65/86/63/668658663.db2.gz MOBZANBKBVGTDT-FBIMIBRVSA-N -1 3 349.347 -1.990 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)[C@H]1CCC(=O)NC1 ZINC001024531492 668658622 /nfs/dbraw/zinc/65/86/22/668658622.db2.gz MOBZANBKBVGTDT-JMJZKYOTSA-N -1 3 349.347 -1.990 20 0 EAADHM NC(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC001024543728 668660864 /nfs/dbraw/zinc/66/08/64/668660864.db2.gz SKPMSZIMKVTHNS-VXGBXAGGSA-N -1 3 344.327 -1.685 20 0 EAADHM Cn1cc(C(N)=O)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024544537 668661259 /nfs/dbraw/zinc/66/12/59/668661259.db2.gz AJRFCUTZQDVGJJ-MWLCHTKSSA-N -1 3 347.335 -2.143 20 0 EAADHM Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c(Cl)n1 ZINC001024544540 668661108 /nfs/dbraw/zinc/66/11/08/668661108.db2.gz AMYWSLQGWLGGDR-RKDXNWHRSA-N -1 3 339.743 -1.193 20 0 EAADHM C[C@H](Oc1ccccn1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024544547 668661205 /nfs/dbraw/zinc/66/12/05/668661205.db2.gz AOIHMFUZNNYQIQ-MVWJERBFSA-N -1 3 346.347 -1.031 20 0 EAADHM C[C@@H](Oc1ccccn1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024544548 668661251 /nfs/dbraw/zinc/66/12/51/668661251.db2.gz AOIHMFUZNNYQIQ-YUSALJHKSA-N -1 3 346.347 -1.031 20 0 EAADHM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)nc(C)n1 ZINC001024544550 668661102 /nfs/dbraw/zinc/66/11/02/668661102.db2.gz ARHLNGMAJYWLNY-VXGBXAGGSA-N -1 3 331.336 -1.173 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1O)c1cn[n-]n1 ZINC001024544579 668661071 /nfs/dbraw/zinc/66/10/71/668661071.db2.gz BKYHYAKCXGTIHK-MWLCHTKSSA-N -1 3 342.319 -1.537 20 0 EAADHM Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)ccc1=O ZINC001024544647 668661029 /nfs/dbraw/zinc/66/10/29/668661029.db2.gz DNRNVDIGNJVAMH-GHMZBOCLSA-N -1 3 332.320 -1.881 20 0 EAADHM COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024544693 668660813 /nfs/dbraw/zinc/66/08/13/668660813.db2.gz GWIPKXBATOAOFJ-RKDXNWHRSA-N -1 3 348.319 -1.471 20 0 EAADHM O=C(Nc1ccccc1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024544706 668660884 /nfs/dbraw/zinc/66/08/84/668660884.db2.gz HFGBBBLOJMNXIR-VXGBXAGGSA-N -1 3 344.331 -1.255 20 0 EAADHM COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)nn1C ZINC001024544718 668661041 /nfs/dbraw/zinc/66/10/41/668661041.db2.gz HNIBRTMIKLMKAA-NXEZZACHSA-N -1 3 335.324 -1.838 20 0 EAADHM Cn1ccc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c1 ZINC001024544719 668660831 /nfs/dbraw/zinc/66/08/31/668660831.db2.gz HOCDRHROAWDAES-ZYHUDNBSSA-N -1 3 332.320 -1.881 20 0 EAADHM O=C(COc1cccnc1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024544750 668661236 /nfs/dbraw/zinc/66/12/36/668661236.db2.gz IUIBJULSQQQYNX-VXGBXAGGSA-N -1 3 332.320 -1.420 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1O)c1cn[n-]n1 ZINC001024544757 668660897 /nfs/dbraw/zinc/66/08/97/668660897.db2.gz JCRVHTBYEOPBOT-GHMZBOCLSA-N -1 3 342.319 -1.537 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1O)c1cn[n-]n1 ZINC001024545010 668661085 /nfs/dbraw/zinc/66/10/85/668661085.db2.gz MWHNDMCSBUOKEC-NXEZZACHSA-N -1 3 342.319 -1.357 20 0 EAADHM COc1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)nc1 ZINC001024545154 668660939 /nfs/dbraw/zinc/66/09/39/668660939.db2.gz NYFDUBPMLYJHNR-NXEZZACHSA-N -1 3 333.308 -1.781 20 0 EAADHM CCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cnn1C ZINC001024545166 668661134 /nfs/dbraw/zinc/66/11/34/668661134.db2.gz OTEGPRLJADPMKQ-ZYHUDNBSSA-N -1 3 333.352 -1.284 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1O)c1cn[n-]n1 ZINC001024545167 668660960 /nfs/dbraw/zinc/66/09/60/668660960.db2.gz OUMBEXDDBAMSNK-RKDXNWHRSA-N -1 3 336.308 -2.841 20 0 EAADHM CCOc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)co1 ZINC001024545170 668661170 /nfs/dbraw/zinc/66/11/70/668661170.db2.gz OWCUQKAUECDAPU-PSASIEDQSA-N -1 3 336.308 -1.193 20 0 EAADHM O=C(CC1OCCCO1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024545171 668660848 /nfs/dbraw/zinc/66/08/48/668660848.db2.gz OWRMROJJAPHSLN-NXEZZACHSA-N -1 3 325.325 -1.741 20 0 EAADHM COCCn1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001024545187 668661781 /nfs/dbraw/zinc/66/17/81/668661781.db2.gz POJUGIFYQAJBMA-VXGBXAGGSA-N -1 3 349.351 -1.737 20 0 EAADHM COCc1nocc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024545209 668661669 /nfs/dbraw/zinc/66/16/69/668661669.db2.gz QCXCPCHJTHISAM-MWLCHTKSSA-N -1 3 336.308 -1.446 20 0 EAADHM O=C(CN1CCCNC1=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024545405 668661814 /nfs/dbraw/zinc/66/18/14/668661814.db2.gz SFPAOWMUTKLYCF-NXEZZACHSA-N -1 3 337.340 -2.479 20 0 EAADHM Cn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cc1Cl ZINC001024545438 668661495 /nfs/dbraw/zinc/66/14/95/668661495.db2.gz UIKUISOEACGGPF-RKDXNWHRSA-N -1 3 339.743 -1.193 20 0 EAADHM NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)o1 ZINC001024545444 668661842 /nfs/dbraw/zinc/66/18/42/668661842.db2.gz URGZMXLEFPMPKG-HTQZYQBOSA-N -1 3 334.292 -1.888 20 0 EAADHM O=C(C[C@H]1CCCC(=O)N1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024545481 668661642 /nfs/dbraw/zinc/66/16/42/668661642.db2.gz WCAWUSGWEVVFQB-FBIMIBRVSA-N -1 3 336.352 -1.835 20 0 EAADHM O=C(C[C@@H]1CCCC(=O)N1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024545482 668661851 /nfs/dbraw/zinc/66/18/51/668661851.db2.gz WCAWUSGWEVVFQB-JMJZKYOTSA-N -1 3 336.352 -1.835 20 0 EAADHM O=C(CN1CCCCC1=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024545590 668661526 /nfs/dbraw/zinc/66/15/26/668661526.db2.gz WMKDEGVGJRRLEV-GHMZBOCLSA-N -1 3 336.352 -1.881 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1O)c1cn[n-]n1 ZINC001024545612 668661542 /nfs/dbraw/zinc/66/15/42/668661542.db2.gz XOUYLYCICFUGPR-GHMZBOCLSA-N -1 3 347.335 -1.601 20 0 EAADHM Cn1nc2c(c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C1)CCC2 ZINC001024545621 668661459 /nfs/dbraw/zinc/66/14/59/668661459.db2.gz YAWCFMUKYXMFHJ-VXGBXAGGSA-N -1 3 345.363 -1.358 20 0 EAADHM Cn1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c1=O ZINC001024546102 668661880 /nfs/dbraw/zinc/66/18/80/668661880.db2.gz BTQZGPIXVYODCK-GHMZBOCLSA-N -1 3 332.320 -1.881 20 0 EAADHM CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024546107 668661695 /nfs/dbraw/zinc/66/16/95/668661695.db2.gz CABZYHOADCFMQG-GRYCIOLGSA-N -1 3 336.352 -1.883 20 0 EAADHM CN(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC001024546148 668661125 /nfs/dbraw/zinc/66/11/25/668661125.db2.gz DPMKKDQNJHPAEK-GHMZBOCLSA-N -1 3 346.351 -1.724 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1O)c1cn[n-]n1 ZINC001024546411 668662160 /nfs/dbraw/zinc/66/21/60/668662160.db2.gz KNSFVHQHTRJWAF-BNBDFLQPSA-N -1 3 333.348 -1.470 20 0 EAADHM Cn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)ncc1=O ZINC001024546416 668662370 /nfs/dbraw/zinc/66/23/70/668662370.db2.gz KNVDAIPCBBAODB-PSASIEDQSA-N -1 3 333.308 -2.486 20 0 EAADHM Cn1nccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024546422 668662212 /nfs/dbraw/zinc/66/22/12/668662212.db2.gz KRPNLZFAGXZFIS-RUSTZOOPSA-N -1 3 345.363 -1.357 20 0 EAADHM COc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024546531 668662172 /nfs/dbraw/zinc/66/21/72/668662172.db2.gz MFKSTQZRTWDFBL-NXEZZACHSA-N -1 3 332.320 -1.176 20 0 EAADHM COCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cn1 ZINC001024546533 668662727 /nfs/dbraw/zinc/66/27/27/668662727.db2.gz MGAIQVWXQCPDNN-VXGBXAGGSA-N -1 3 349.351 -1.737 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1O)c1cn[n-]n1 ZINC001024546556 668662232 /nfs/dbraw/zinc/66/22/32/668662232.db2.gz MQWFHTRSDLEKNX-NXEZZACHSA-N -1 3 330.308 -1.604 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1O)c1cn[n-]n1 ZINC001024546784 668661902 /nfs/dbraw/zinc/66/19/02/668661902.db2.gz QQZVMTAIBQRZKX-GHMZBOCLSA-N -1 3 347.335 -1.601 20 0 EAADHM CC(=O)N1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)C1 ZINC001024546804 668661729 /nfs/dbraw/zinc/66/17/29/668661729.db2.gz RACCWJODQKYPMZ-MVWJERBFSA-N -1 3 336.352 -2.025 20 0 EAADHM CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)C1 ZINC001024546806 668661567 /nfs/dbraw/zinc/66/15/67/668661567.db2.gz RACCWJODQKYPMZ-YUSALJHKSA-N -1 3 336.352 -2.025 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1O)c1cn[n-]n1 ZINC001024546835 668661600 /nfs/dbraw/zinc/66/16/00/668661600.db2.gz RNUZYTGXUKPOSJ-MAMCYAMTSA-N -1 3 335.364 -1.079 20 0 EAADHM COc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cnn1C ZINC001024546859 668661657 /nfs/dbraw/zinc/66/16/57/668661657.db2.gz RXPSUJSXYPNWSX-NXEZZACHSA-N -1 3 335.324 -1.838 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1O)c1cn[n-]n1 ZINC001024546877 668661748 /nfs/dbraw/zinc/66/17/48/668661748.db2.gz SHEJELOFMZTEIC-JHEVNIALSA-N -1 3 335.364 -1.079 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)C[C@H]1O)c1cn[n-]n1 ZINC001024547139 668661769 /nfs/dbraw/zinc/66/17/69/668661769.db2.gz UVCAWDWKGDCNGJ-LERXQTSPSA-N -1 3 342.359 -1.084 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@H]2Cc3cccnc3C2)C[C@H]1O)c1cn[n-]n1 ZINC001024547142 668661583 /nfs/dbraw/zinc/66/15/83/668661583.db2.gz UVCAWDWKGDCNGJ-ZLKJLUDKSA-N -1 3 342.359 -1.084 20 0 EAADHM Cc1ccc(=O)n(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001024547146 668661806 /nfs/dbraw/zinc/66/18/06/668661806.db2.gz VAKYFWFESHSDJT-GHMZBOCLSA-N -1 3 347.335 -2.328 20 0 EAADHM CCc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n(C)n1 ZINC001024547157 668661869 /nfs/dbraw/zinc/66/18/69/668661869.db2.gz VFHZMSLOBWOVHC-CHWSQXEVSA-N -1 3 347.379 -1.355 20 0 EAADHM CCn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC001024547228 668661682 /nfs/dbraw/zinc/66/16/82/668661682.db2.gz XIPGKOQSGYQMIN-GHMZBOCLSA-N -1 3 334.340 -2.040 20 0 EAADHM COc1nccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001024547385 668661630 /nfs/dbraw/zinc/66/16/30/668661630.db2.gz YVVPUBLEDFNRBO-NXEZZACHSA-N -1 3 333.308 -1.781 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1O)c1cn[n-]n1 ZINC001024547446 668661790 /nfs/dbraw/zinc/66/17/90/668661790.db2.gz AERYWFHSNDUMRW-RKDXNWHRSA-N -1 3 343.307 -2.142 20 0 EAADHM O=C(CCc1ncccn1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024547450 668661828 /nfs/dbraw/zinc/66/18/28/668661828.db2.gz AJMGTVWYCWWDEP-GHMZBOCLSA-N -1 3 331.336 -1.471 20 0 EAADHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1)n1cccn1 ZINC001024547547 668661893 /nfs/dbraw/zinc/66/18/93/668661893.db2.gz CACGTVLDVHNRMM-MVWJERBFSA-N -1 3 333.352 -1.046 20 0 EAADHM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1)n1cccn1 ZINC001024547548 668661512 /nfs/dbraw/zinc/66/15/12/668661512.db2.gz CACGTVLDVHNRMM-YUSALJHKSA-N -1 3 333.352 -1.046 20 0 EAADHM C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)C1 ZINC001024547553 668662416 /nfs/dbraw/zinc/66/24/16/668662416.db2.gz CEXFRBMEYRCJEF-FBIMIBRVSA-N -1 3 336.352 -2.025 20 0 EAADHM C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)C1 ZINC001024547554 668662571 /nfs/dbraw/zinc/66/25/71/668662571.db2.gz CEXFRBMEYRCJEF-JMJZKYOTSA-N -1 3 336.352 -2.025 20 0 EAADHM Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)nnn1C(C)C ZINC001024547555 668662201 /nfs/dbraw/zinc/66/22/01/668662201.db2.gz CGOXKFZWZKSUJG-GHMZBOCLSA-N -1 3 348.367 -1.099 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1O)c1cn[n-]n1 ZINC001024547556 668662701 /nfs/dbraw/zinc/66/27/01/668662701.db2.gz CGUMFAIEXWZENI-DGCLKSJQSA-N -1 3 345.363 -1.047 20 0 EAADHM C[C@H](Cc1cnn(C)c1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024547574 668662251 /nfs/dbraw/zinc/66/22/51/668662251.db2.gz CXHKTNJPFAXOJF-OASPWFOLSA-N -1 3 347.379 -1.282 20 0 EAADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024547575 668662710 /nfs/dbraw/zinc/66/27/10/668662710.db2.gz CXHKTNJPFAXOJF-ZWKOPEQDSA-N -1 3 347.379 -1.282 20 0 EAADHM Cc1c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cnn1C ZINC001024547581 668662260 /nfs/dbraw/zinc/66/22/60/668662260.db2.gz DHVNGTYIFDMJMC-VXGBXAGGSA-N -1 3 333.352 -1.609 20 0 EAADHM COc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cn1 ZINC001024547670 668662399 /nfs/dbraw/zinc/66/23/99/668662399.db2.gz DVJIQSGFKWNQKN-NXEZZACHSA-N -1 3 333.308 -1.781 20 0 EAADHM O=C(CCn1cnccc1=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024547714 668662521 /nfs/dbraw/zinc/66/25/21/668662521.db2.gz FQWBYLCWJJYIGH-GHMZBOCLSA-N -1 3 347.335 -2.247 20 0 EAADHM Cn1cc(C(C)(C)C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cn1 ZINC001024547755 668662322 /nfs/dbraw/zinc/66/23/22/668662322.db2.gz HJFAHBVGAWFJLV-VXGBXAGGSA-N -1 3 347.379 -1.183 20 0 EAADHM CN(C)c1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cn1 ZINC001024547759 668662651 /nfs/dbraw/zinc/66/26/51/668662651.db2.gz HOKRUIKRMWLWHP-GHMZBOCLSA-N -1 3 346.351 -1.724 20 0 EAADHM Cn1cc(Cl)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001024547900 668662636 /nfs/dbraw/zinc/66/26/36/668662636.db2.gz JICIRZGMFLBSAZ-RKDXNWHRSA-N -1 3 339.743 -1.193 20 0 EAADHM NC(=O)Cc1occc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024547904 668662350 /nfs/dbraw/zinc/66/23/50/668662350.db2.gz JMSMTVPNHKQVHJ-NXEZZACHSA-N -1 3 348.319 -1.959 20 0 EAADHM CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC001024547909 668662794 /nfs/dbraw/zinc/66/27/94/668662794.db2.gz JTGQWURMMMGSKB-MWLCHTKSSA-N -1 3 334.340 -1.579 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1O)c1cn[n-]n1 ZINC001024547915 668662619 /nfs/dbraw/zinc/66/26/19/668662619.db2.gz JXLTUSDPLAVOHB-RKDXNWHRSA-N -1 3 329.338 -2.849 20 0 EAADHM COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)nn1 ZINC001024547960 668662677 /nfs/dbraw/zinc/66/26/77/668662677.db2.gz LQTKIAAGZPFGPI-NXEZZACHSA-N -1 3 333.308 -1.781 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1O)c1cn[n-]n1 ZINC001024547980 668662445 /nfs/dbraw/zinc/66/24/45/668662445.db2.gz MKZZPWAUXXFEBP-VXGBXAGGSA-N -1 3 343.303 -1.044 20 0 EAADHM Cn1ncc(Cl)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024548124 668662459 /nfs/dbraw/zinc/66/24/59/668662459.db2.gz NFCBYZNQHWSTSM-RKDXNWHRSA-N -1 3 339.743 -1.193 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1O)c1cn[n-]n1 ZINC001024548150 668662585 /nfs/dbraw/zinc/66/25/85/668662585.db2.gz OGRCFJNIWUBVIF-NXEZZACHSA-N -1 3 343.307 -2.142 20 0 EAADHM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c(C)nn1 ZINC001024548159 668662386 /nfs/dbraw/zinc/66/23/86/668662386.db2.gz OZUURBURAFUMAM-VXGBXAGGSA-N -1 3 331.336 -1.173 20 0 EAADHM NC(=O)c1c[nH]c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c1 ZINC001024548167 668662191 /nfs/dbraw/zinc/66/21/91/668662191.db2.gz PFUWSNRMUMMELB-NXEZZACHSA-N -1 3 333.308 -2.153 20 0 EAADHM Cn1cc(OCC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cn1 ZINC001024548173 668662538 /nfs/dbraw/zinc/66/25/38/668662538.db2.gz PMTDBPKGTMZCCR-GHMZBOCLSA-N -1 3 335.324 -2.081 20 0 EAADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1)c1cnn(C)c1 ZINC001024548203 668662758 /nfs/dbraw/zinc/66/27/58/668662758.db2.gz RBYNUTCWJHOMSP-GGZOMVNGSA-N -1 3 333.352 -1.357 20 0 EAADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1)c1cnn(C)c1 ZINC001024548204 668662688 /nfs/dbraw/zinc/66/26/88/668662688.db2.gz RBYNUTCWJHOMSP-XXILOJSOSA-N -1 3 333.352 -1.357 20 0 EAADHM Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c(C)n1 ZINC001024548215 668662222 /nfs/dbraw/zinc/66/22/22/668662222.db2.gz RNLLPNNPLKQYBC-VXGBXAGGSA-N -1 3 331.336 -1.173 20 0 EAADHM Cc1nn(C)c(F)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024548220 668662510 /nfs/dbraw/zinc/66/25/10/668662510.db2.gz RRRKHZIWOBTLCT-RKDXNWHRSA-N -1 3 337.315 -1.399 20 0 EAADHM O=C(CCc1cnccn1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024548349 668662603 /nfs/dbraw/zinc/66/26/03/668662603.db2.gz SDXDPVSEMIFNAB-VXGBXAGGSA-N -1 3 331.336 -1.471 20 0 EAADHM CN1C(=O)CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024548352 668662495 /nfs/dbraw/zinc/66/24/95/668662495.db2.gz SFIOMQLDLFBOHW-GMTAPVOTSA-N -1 3 336.352 -1.883 20 0 EAADHM CN1C(=O)CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024548353 668662274 /nfs/dbraw/zinc/66/22/74/668662274.db2.gz SFIOMQLDLFBOHW-OUAUKWLOSA-N -1 3 336.352 -1.883 20 0 EAADHM COc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024548361 668662774 /nfs/dbraw/zinc/66/27/74/668662774.db2.gz SOBKKHMGSOTXOI-GHMZBOCLSA-N -1 3 332.320 -1.176 20 0 EAADHM O=C(CCc1ccncn1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024548362 668662307 /nfs/dbraw/zinc/66/23/07/668662307.db2.gz SOGDJOQUBQJZEB-VXGBXAGGSA-N -1 3 331.336 -1.471 20 0 EAADHM Cn1nccc1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024548367 668662783 /nfs/dbraw/zinc/66/27/83/668662783.db2.gz SUPAJJCFCDTZGU-VXGBXAGGSA-N -1 3 333.352 -1.528 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1O)c1cn[n-]n1 ZINC001024548374 668662297 /nfs/dbraw/zinc/66/22/97/668662297.db2.gz TVATXXYRAPDXCO-GHMZBOCLSA-N -1 3 342.319 -1.537 20 0 EAADHM Cc1cccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c1=O ZINC001024548386 668662337 /nfs/dbraw/zinc/66/23/37/668662337.db2.gz UGBRYZSBLSVUAQ-VXGBXAGGSA-N -1 3 346.347 -1.723 20 0 EAADHM COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)ncn1 ZINC001024548390 668662663 /nfs/dbraw/zinc/66/26/63/668662663.db2.gz UHYKSTAONXJCEX-NXEZZACHSA-N -1 3 333.308 -1.781 20 0 EAADHM CN(C)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)ccn1 ZINC001024548405 668662719 /nfs/dbraw/zinc/66/27/19/668662719.db2.gz UXOXQTRQNGEWSF-VXGBXAGGSA-N -1 3 345.363 -1.119 20 0 EAADHM COc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001024548406 668662478 /nfs/dbraw/zinc/66/24/78/668662478.db2.gz VAAPHBAZYRJQPC-GHMZBOCLSA-N -1 3 332.320 -1.176 20 0 EAADHM NC(=O)c1nccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549387 668663881 /nfs/dbraw/zinc/66/38/81/668663881.db2.gz FHGCWXOSOSOGNT-HTQZYQBOSA-N -1 3 346.307 -2.691 20 0 EAADHM CN1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)C1=O ZINC001024549391 668664179 /nfs/dbraw/zinc/66/41/79/668664179.db2.gz FLTTUWRJBMLCLY-FBIMIBRVSA-N -1 3 336.352 -2.025 20 0 EAADHM CN1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)C1=O ZINC001024549392 668664165 /nfs/dbraw/zinc/66/41/65/668664165.db2.gz FLTTUWRJBMLCLY-JMJZKYOTSA-N -1 3 336.352 -2.025 20 0 EAADHM COCc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549393 668663935 /nfs/dbraw/zinc/66/39/35/668663935.db2.gz FLYBIBZRNFYWQX-ZYHUDNBSSA-N -1 3 349.351 -1.700 20 0 EAADHM CCn1nnc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549535 668663892 /nfs/dbraw/zinc/66/38/92/668663892.db2.gz GPFZPUHYIWSQTE-NXEZZACHSA-N -1 3 334.340 -1.660 20 0 EAADHM COc1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)ccn1 ZINC001024549544 668663865 /nfs/dbraw/zinc/66/38/65/668663865.db2.gz GVEHLPXLHHFNNN-VXGBXAGGSA-N -1 3 346.347 -1.248 20 0 EAADHM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549567 668664138 /nfs/dbraw/zinc/66/41/38/668664138.db2.gz HKQLJYLYSDMSHD-JZSSXWJLSA-N -1 3 336.352 -2.170 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1O)c1cn[n-]n1 ZINC001024549576 668664199 /nfs/dbraw/zinc/66/41/99/668664199.db2.gz HWDKXLZQCSZITK-MWLCHTKSSA-N -1 3 342.319 -1.537 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1O)c1cn[n-]n1 ZINC001024549578 668663887 /nfs/dbraw/zinc/66/38/87/668663887.db2.gz HXEFPGJYUHKDNN-CHWSQXEVSA-N -1 3 346.347 -1.179 20 0 EAADHM O=C(Cn1cc(C2CC2)nn1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549584 668663799 /nfs/dbraw/zinc/66/37/99/668663799.db2.gz IEMIWKNSTGNQHD-VXGBXAGGSA-N -1 3 346.351 -1.725 20 0 EAADHM COc1cc(=O)[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549605 668663877 /nfs/dbraw/zinc/66/38/77/668663877.db2.gz IWXHUAIKGFUATL-NXEZZACHSA-N -1 3 348.319 -1.471 20 0 EAADHM COc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001024549606 668664055 /nfs/dbraw/zinc/66/40/55/668664055.db2.gz IYXOHJDYYGZFNY-NXEZZACHSA-N -1 3 333.308 -1.781 20 0 EAADHM CCc1nn(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549610 668663700 /nfs/dbraw/zinc/66/37/00/668663700.db2.gz JCQZDZXEMVBOKP-VXGBXAGGSA-N -1 3 333.352 -1.284 20 0 EAADHM NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)[nH]1 ZINC001024549615 668663776 /nfs/dbraw/zinc/66/37/76/668663776.db2.gz JMFQOCHSUZLKIK-NXEZZACHSA-N -1 3 333.308 -2.153 20 0 EAADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)O1 ZINC001024549617 668663744 /nfs/dbraw/zinc/66/37/44/668663744.db2.gz JQGROVDXTLZGMX-DOLQZWNJSA-N -1 3 338.324 -2.861 20 0 EAADHM C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549669 668663847 /nfs/dbraw/zinc/66/38/47/668663847.db2.gz LCANAUQKGZZDIG-OASPWFOLSA-N -1 3 346.347 -1.031 20 0 EAADHM C[C@H](Oc1cccnc1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549671 668664072 /nfs/dbraw/zinc/66/40/72/668664072.db2.gz LCANAUQKGZZDIG-ZWKOPEQDSA-N -1 3 346.347 -1.031 20 0 EAADHM CCOc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)[nH]n1 ZINC001024549700 668664094 /nfs/dbraw/zinc/66/40/94/668664094.db2.gz MAEUXXKTTUPWSM-NXEZZACHSA-N -1 3 335.324 -1.458 20 0 EAADHM Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549732 668664190 /nfs/dbraw/zinc/66/41/90/668664190.db2.gz MVRHMMWRERACBO-GHMZBOCLSA-N -1 3 332.320 -1.171 20 0 EAADHM Cn1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)ccc1=O ZINC001024549839 668664108 /nfs/dbraw/zinc/66/41/08/668664108.db2.gz PANPOSXRJGSWRD-NXEZZACHSA-N -1 3 333.308 -2.486 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1O)c1cn[n-]n1 ZINC001024549856 668663928 /nfs/dbraw/zinc/66/39/28/668663928.db2.gz PRYPKAYLKXDQFJ-IRUJWGPZSA-N -1 3 345.363 -1.120 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1O)c1cn[n-]n1 ZINC001024549857 668663951 /nfs/dbraw/zinc/66/39/51/668663951.db2.gz PRYPKAYLKXDQFJ-UFGOTCBOSA-N -1 3 345.363 -1.120 20 0 EAADHM NC(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cc1 ZINC001024549858 668663913 /nfs/dbraw/zinc/66/39/13/668663913.db2.gz PTOUDRWCKFSPCI-VXGBXAGGSA-N -1 3 344.331 -1.481 20 0 EAADHM O=C(Cn1cc(C2CC2)cn1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549859 668664117 /nfs/dbraw/zinc/66/41/17/668664117.db2.gz PUUQGTLEYQMUMI-CHWSQXEVSA-N -1 3 345.363 -1.120 20 0 EAADHM Cn1c(=O)cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549890 668663832 /nfs/dbraw/zinc/66/38/32/668663832.db2.gz RIHROIHGXVXPOJ-MWLCHTKSSA-N -1 3 332.320 -1.881 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1O)c1cn[n-]n1 ZINC001024549893 668664040 /nfs/dbraw/zinc/66/40/40/668664040.db2.gz RNRFSWKZBFZBNJ-FBIMIBRVSA-N -1 3 336.352 -1.835 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1O)c1cn[n-]n1 ZINC001024549894 668663672 /nfs/dbraw/zinc/66/36/72/668663672.db2.gz RNRFSWKZBFZBNJ-JMJZKYOTSA-N -1 3 336.352 -1.835 20 0 EAADHM O=C(Cc1ccc(F)cn1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549896 668663983 /nfs/dbraw/zinc/66/39/83/668663983.db2.gz RPPKRVABYBZCHC-VXGBXAGGSA-N -1 3 334.311 -1.117 20 0 EAADHM O=C(CN1C(=O)CNC1=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549905 668664128 /nfs/dbraw/zinc/66/41/28/668664128.db2.gz RXUCYHFORWPVPS-HTQZYQBOSA-N -1 3 337.296 -3.342 20 0 EAADHM Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c(=O)[nH]c1C ZINC001024549964 668663817 /nfs/dbraw/zinc/66/38/17/668663817.db2.gz STLYNUACOHTHLL-NXEZZACHSA-N -1 3 347.335 -1.880 20 0 EAADHM CC(C)(C)n1cnc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001024549965 668663859 /nfs/dbraw/zinc/66/38/59/668663859.db2.gz SVBHVNROVGMZKT-NXEZZACHSA-N -1 3 348.367 -1.234 20 0 EAADHM CCn1nc(C)cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024549987 668664000 /nfs/dbraw/zinc/66/40/00/668664000.db2.gz USOHQTSMNNROQC-ZYHUDNBSSA-N -1 3 333.352 -1.055 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)C2(CF)CCOCC2)C[C@H]1O)c1cn[n-]n1 ZINC001024549991 668663727 /nfs/dbraw/zinc/66/37/27/668663727.db2.gz UVDCPDNLYPAHFV-GHMZBOCLSA-N -1 3 341.343 -1.128 20 0 EAADHM Cc1cc(=O)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cn1C ZINC001024549995 668664018 /nfs/dbraw/zinc/66/40/18/668664018.db2.gz UWVCTMHGSIQAQB-DGCLKSJQSA-N -1 3 346.347 -1.573 20 0 EAADHM O=C(CN1C(=O)CCC1=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024550023 668663852 /nfs/dbraw/zinc/66/38/52/668663852.db2.gz VNQPDVGSMFBDEP-RKDXNWHRSA-N -1 3 336.308 -2.745 20 0 EAADHM O=C(Cn1ccccc1=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024550033 668663967 /nfs/dbraw/zinc/66/39/67/668663967.db2.gz VWTYFMHIONWFFQ-GHMZBOCLSA-N -1 3 332.320 -2.032 20 0 EAADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)C1 ZINC001024550035 668663794 /nfs/dbraw/zinc/66/37/94/668663794.db2.gz VXKIXLNOGCAPPE-JZSSXWJLSA-N -1 3 336.352 -1.992 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1O)c1cn[n-]n1 ZINC001024550042 668663943 /nfs/dbraw/zinc/66/39/43/668663943.db2.gz WAWMKCYJMPASPF-GHMZBOCLSA-N -1 3 342.319 -1.309 20 0 EAADHM O=C(CC1CS(=O)(=O)C1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024550060 668664030 /nfs/dbraw/zinc/66/40/30/668664030.db2.gz WJTPJFNBBUYQSV-NXEZZACHSA-N -1 3 343.365 -2.459 20 0 EAADHM Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cn1 ZINC001024550157 668664418 /nfs/dbraw/zinc/66/44/18/668664418.db2.gz YISLIVPCCQRQIS-XKAARJIMSA-N -1 3 345.363 -1.357 20 0 EAADHM Cn1ncc(CCC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001024550163 668664500 /nfs/dbraw/zinc/66/45/00/668664500.db2.gz YRBZKXIXZPAYID-GHMZBOCLSA-N -1 3 334.340 -2.133 20 0 EAADHM Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c(=O)[nH]1 ZINC001024550169 668664812 /nfs/dbraw/zinc/66/48/12/668664812.db2.gz YVFCJXLGWOHRLY-GHMZBOCLSA-N -1 3 332.320 -1.171 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1O)c1cn[n-]n1 ZINC001024550179 668664561 /nfs/dbraw/zinc/66/45/61/668664561.db2.gz 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Cc1ccn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c(=O)c1 ZINC001024550702 668665312 /nfs/dbraw/zinc/66/53/12/668665312.db2.gz GTEKWVFPAHLOND-VXGBXAGGSA-N -1 3 346.347 -1.723 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1O)c1cn[n-]n1 ZINC001024550716 668665410 /nfs/dbraw/zinc/66/54/10/668665410.db2.gz HHDZTTYHJSDMFC-FXBDTBDDSA-N -1 3 343.365 -2.459 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1O)c1cn[n-]n1 ZINC001024550717 668665572 /nfs/dbraw/zinc/66/55/72/668665572.db2.gz HHDZTTYHJSDMFC-SZEHBUNVSA-N -1 3 343.365 -2.459 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1O)c1cn[n-]n1 ZINC001024550723 668665434 /nfs/dbraw/zinc/66/54/34/668665434.db2.gz HRRFXGDHCNOSSC-MWLCHTKSSA-N -1 3 342.319 -1.537 20 0 EAADHM Cc1noc(C)c1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024550742 668665504 /nfs/dbraw/zinc/66/55/04/668665504.db2.gz IOFFOOLYONSWOZ-VXGBXAGGSA-N -1 3 334.336 -1.046 20 0 EAADHM NC(=O)c1ncn(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001024550769 668665457 /nfs/dbraw/zinc/66/54/57/668665457.db2.gz KCERCNFZPPNFOL-HTQZYQBOSA-N -1 3 349.311 -3.503 20 0 EAADHM CC(C)c1nnnn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024550793 668665319 /nfs/dbraw/zinc/66/53/19/668665319.db2.gz KVVMRHRLFKMWQT-NXEZZACHSA-N -1 3 349.355 -2.084 20 0 EAADHM Cn1c(Cl)ncc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024550795 668665352 /nfs/dbraw/zinc/66/53/52/668665352.db2.gz KWNDGHOSXBPZGU-VXNVDRBHSA-N -1 3 339.743 -1.193 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1O)c1cn[n-]n1 ZINC001024550805 668665518 /nfs/dbraw/zinc/66/55/18/668665518.db2.gz LCIBSXSFKIFKDO-GHMZBOCLSA-N -1 3 342.319 -1.537 20 0 EAADHM COc1coc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cc1=O ZINC001024550807 668665263 /nfs/dbraw/zinc/66/52/63/668665263.db2.gz LCWRTYUYQQYJEO-PSASIEDQSA-N -1 3 349.303 -1.618 20 0 EAADHM NC(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c[nH]1 ZINC001024550826 668665416 /nfs/dbraw/zinc/66/54/16/668665416.db2.gz LJRYJCKSERIFBE-NXEZZACHSA-N -1 3 333.308 -2.153 20 0 EAADHM COCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)no1 ZINC001024550866 668665273 /nfs/dbraw/zinc/66/52/73/668665273.db2.gz MRYZBCUCSNTFBY-GHMZBOCLSA-N -1 3 336.308 -1.446 20 0 EAADHM CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)c(C)n1 ZINC001024550888 668665205 /nfs/dbraw/zinc/66/52/05/668665205.db2.gz MWZBPXMAOJHJIL-VXGBXAGGSA-N -1 3 333.352 -1.055 20 0 EAADHM CN(C)c1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024550892 668665345 /nfs/dbraw/zinc/66/53/45/668665345.db2.gz MYPZGVQAESGKMW-VXGBXAGGSA-N -1 3 345.363 -1.119 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1O)c1cn[n-]n1 ZINC001024550999 668665527 /nfs/dbraw/zinc/66/55/27/668665527.db2.gz PGLXMTRQEXAHBB-VXGBXAGGSA-N -1 3 345.363 -1.047 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1O)c1cn[n-]n1 ZINC001024551005 668665482 /nfs/dbraw/zinc/66/54/82/668665482.db2.gz PKSYRWFRGFMAPE-NXEZZACHSA-N -1 3 343.307 -2.142 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1O)c1cn[n-]n1 ZINC001024551014 668665545 /nfs/dbraw/zinc/66/55/45/668665545.db2.gz PPWVSXKFUMMGSF-MWLCHTKSSA-N -1 3 342.319 -1.537 20 0 EAADHM NC(=O)c1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024551068 668665426 /nfs/dbraw/zinc/66/54/26/668665426.db2.gz RKPUUACQXKXOCN-NXEZZACHSA-N -1 3 345.319 -2.086 20 0 EAADHM COc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)sn1 ZINC001024551073 668665472 /nfs/dbraw/zinc/66/54/72/668665472.db2.gz RMFBGDFAVGXVIL-HTQZYQBOSA-N -1 3 338.349 -1.115 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1O)c1cn[n-]n1 ZINC001024551100 668665444 /nfs/dbraw/zinc/66/54/44/668665444.db2.gz RSSDDUKMSWECNZ-ZYHUDNBSSA-N -1 3 346.351 -1.264 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1O)c1cn[n-]n1 ZINC001024551125 668665299 /nfs/dbraw/zinc/66/52/99/668665299.db2.gz SGRHJEXUKKOZFY-NXEZZACHSA-N -1 3 348.319 -1.519 20 0 EAADHM COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)cn1 ZINC001024551271 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ZINC001024552288 668664820 /nfs/dbraw/zinc/66/48/20/668664820.db2.gz QGBLNUNHLWUDNA-GHMZBOCLSA-N -1 3 345.319 -2.086 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1O)c1cn[n-]n1 ZINC001024552304 668664439 /nfs/dbraw/zinc/66/44/39/668664439.db2.gz QVFWLXPKSKCROR-GHMZBOCLSA-N -1 3 342.319 -1.537 20 0 EAADHM O=C(CN1CCNC(=O)C1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001024552317 668664673 /nfs/dbraw/zinc/66/46/73/668664673.db2.gz RDKFRFVUIGENDL-NXEZZACHSA-N -1 3 337.340 -3.462 20 0 EAADHM NC(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)co1 ZINC001024552489 668665975 /nfs/dbraw/zinc/66/59/75/668665975.db2.gz RTJMPKLSIFBIEK-RKDXNWHRSA-N -1 3 334.292 -1.888 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1O)c1cn[n-]n1 ZINC001024552607 668666142 /nfs/dbraw/zinc/66/61/42/668666142.db2.gz TTYGHQNIHBLQDU-VXGBXAGGSA-N -1 3 331.336 -1.437 20 0 EAADHM O=C(N[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1O)c1cn[n-]n1 ZINC001024552628 668666090 /nfs/dbraw/zinc/66/60/90/668666090.db2.gz 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Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H](NCc4n[nH]c(=O)[n-]4)[C@@H]3C2)n1 ZINC001026334555 668100144 /nfs/dbraw/zinc/10/01/44/668100144.db2.gz JWJRGJYPFYGOGC-DJLDLDEBSA-N -1 3 333.356 -1.326 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@@H](NCc4n[nH]c(=O)[n-]4)[C@H]3C2)n1 ZINC001026334556 668100222 /nfs/dbraw/zinc/10/02/22/668100222.db2.gz JWJRGJYPFYGOGC-XHNCKOQMSA-N -1 3 333.356 -1.326 20 0 EAADHM Cn1nnc(C(=O)N2C[C@@H]3CC[C@H](NCc4n[nH]c(=O)[n-]4)[C@@H]3C2)n1 ZINC001026334557 668100125 /nfs/dbraw/zinc/10/01/25/668100125.db2.gz JWJRGJYPFYGOGC-YIZRAAEISA-N -1 3 333.356 -1.326 20 0 EAADHM O=C(CCn1cnnn1)N1C[C@@H]2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001026386796 668126334 /nfs/dbraw/zinc/12/63/34/668126334.db2.gz SYSSGHLPDWSGFF-AXFHLTTASA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(CCn1cnnn1)N1C[C@@H]2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001026386797 668126382 /nfs/dbraw/zinc/12/63/82/668126382.db2.gz SYSSGHLPDWSGFF-DCAQKATOSA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(CCn1cnnn1)N1C[C@@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C1 ZINC001026386798 668126273 /nfs/dbraw/zinc/12/62/73/668126273.db2.gz SYSSGHLPDWSGFF-GARJFASQSA-N -1 3 347.383 -1.086 20 0 EAADHM O=C(CCn1cnnn1)N1C[C@@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C1 ZINC001026386799 668126371 /nfs/dbraw/zinc/12/63/71/668126371.db2.gz SYSSGHLPDWSGFF-HBNTYKKESA-N -1 3 347.383 -1.086 20 0 EAADHM NC(=O)c1ncn(CC(=O)N2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001026853384 668157638 /nfs/dbraw/zinc/15/76/38/668157638.db2.gz FVKOVKHYHPBDOS-MRVPVSSYSA-N -1 3 349.355 -2.161 20 0 EAADHM NC(=O)c1ncn(CC(=O)N2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001026853385 668157683 /nfs/dbraw/zinc/15/76/83/668157683.db2.gz FVKOVKHYHPBDOS-QMMMGPOBSA-N -1 3 349.355 -2.161 20 0 EAADHM O=C(CN1CCOCC1=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026891203 668159378 /nfs/dbraw/zinc/15/93/78/668159378.db2.gz OGIRUNPHHNJCMR-JTQLQIEISA-N -1 3 338.368 -1.693 20 0 EAADHM O=C(CN1CCOCC1=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026891204 668159320 /nfs/dbraw/zinc/15/93/20/668159320.db2.gz OGIRUNPHHNJCMR-SNVBAGLBSA-N -1 3 338.368 -1.693 20 0 EAADHM O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026892931 668159654 /nfs/dbraw/zinc/15/96/54/668159654.db2.gz OSPMMAGBNMTDIW-SFYZADRCSA-N -1 3 337.340 -1.954 20 0 EAADHM O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026892934 668159685 /nfs/dbraw/zinc/15/96/85/668159685.db2.gz OSPMMAGBNMTDIW-YUMQZZPRSA-N -1 3 337.340 -1.954 20 0 EAADHM Cn1cnc(C(=O)N2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001026894850 668160426 /nfs/dbraw/zinc/16/04/26/668160426.db2.gz PZDYKRHZACCITL-SECBINFHSA-N -1 3 333.352 -1.144 20 0 EAADHM Cn1cnc(C(=O)N2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001026894851 668160288 /nfs/dbraw/zinc/16/02/88/668160288.db2.gz PZDYKRHZACCITL-VIFPVBQESA-N -1 3 333.352 -1.144 20 0 EAADHM Cn1cnn(CC(=O)N2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1=O ZINC001026927473 668161684 /nfs/dbraw/zinc/16/16/84/668161684.db2.gz PCKKSHOIYSSBHV-SECBINFHSA-N -1 3 336.356 -1.956 20 0 EAADHM Cn1cnn(CC(=O)N2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c1=O ZINC001026927474 668161717 /nfs/dbraw/zinc/16/17/17/668161717.db2.gz PCKKSHOIYSSBHV-VIFPVBQESA-N -1 3 336.356 -1.956 20 0 EAADHM O=C(CN1CCCNC1=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026938973 668163229 /nfs/dbraw/zinc/16/32/29/668163229.db2.gz SXTJQJPJCBPKJU-JTQLQIEISA-N -1 3 337.384 -1.136 20 0 EAADHM O=C(CN1CCCNC1=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026938974 668163419 /nfs/dbraw/zinc/16/34/19/668163419.db2.gz SXTJQJPJCBPKJU-SNVBAGLBSA-N -1 3 337.384 -1.136 20 0 EAADHM Cc1nnc(CNC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)[nH]1 ZINC001026940187 668163358 /nfs/dbraw/zinc/16/33/58/668163358.db2.gz BNHGOSGGYHKDTP-MRVPVSSYSA-N -1 3 334.340 -1.039 20 0 EAADHM Cc1nnc(CNC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)[nH]1 ZINC001026940188 668163364 /nfs/dbraw/zinc/16/33/64/668163364.db2.gz BNHGOSGGYHKDTP-QMMMGPOBSA-N -1 3 334.340 -1.039 20 0 EAADHM Cn1cc(CNC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001026941257 668164790 /nfs/dbraw/zinc/16/47/90/668164790.db2.gz CXZYHBYLSBMBCZ-MRVPVSSYSA-N -1 3 334.340 -1.337 20 0 EAADHM Cn1cc(CNC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001026941258 668164635 /nfs/dbraw/zinc/16/46/35/668164635.db2.gz CXZYHBYLSBMBCZ-QMMMGPOBSA-N -1 3 334.340 -1.337 20 0 EAADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026943983 668163851 /nfs/dbraw/zinc/16/38/51/668163851.db2.gz ZSDBVLWQPZAAHL-SECBINFHSA-N -1 3 349.351 -1.589 20 0 EAADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026943984 668163816 /nfs/dbraw/zinc/16/38/16/668163816.db2.gz ZSDBVLWQPZAAHL-VIFPVBQESA-N -1 3 349.351 -1.589 20 0 EAADHM Cn1cc(C(=O)N2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)ncc1=O ZINC001026963131 668165732 /nfs/dbraw/zinc/16/57/32/668165732.db2.gz DRAHFOXJTPEIFG-SECBINFHSA-N -1 3 333.352 -1.144 20 0 EAADHM Cn1cc(C(=O)N2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)ncc1=O ZINC001026963132 668166065 /nfs/dbraw/zinc/16/60/65/668166065.db2.gz DRAHFOXJTPEIFG-VIFPVBQESA-N -1 3 333.352 -1.144 20 0 EAADHM Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)c1=O ZINC001026986015 668167970 /nfs/dbraw/zinc/16/79/70/668167970.db2.gz GAEQXOTYDGCXPC-MRVPVSSYSA-N -1 3 349.351 -1.439 20 0 EAADHM Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)c1=O ZINC001026986016 668168012 /nfs/dbraw/zinc/16/80/12/668168012.db2.gz GAEQXOTYDGCXPC-QMMMGPOBSA-N -1 3 349.351 -1.439 20 0 EAADHM O=C(CN1CCNC(=O)C1)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026988391 668168606 /nfs/dbraw/zinc/16/86/06/668168606.db2.gz FOZDQBMTDQBKFW-JTQLQIEISA-N -1 3 337.384 -2.120 20 0 EAADHM O=C(CN1CCNC(=O)C1)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001026988392 668168737 /nfs/dbraw/zinc/16/87/37/668168737.db2.gz FOZDQBMTDQBKFW-SNVBAGLBSA-N -1 3 337.384 -2.120 20 0 EAADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)O1 ZINC001027061778 668177861 /nfs/dbraw/zinc/17/78/61/668177861.db2.gz HAHVNTAIDIXLOF-KXUCPTDWSA-N -1 3 338.368 -1.519 20 0 EAADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)O1 ZINC001027061779 668177804 /nfs/dbraw/zinc/17/78/04/668177804.db2.gz HAHVNTAIDIXLOF-LPEHRKFASA-N -1 3 338.368 -1.519 20 0 EAADHM O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027094728 668182584 /nfs/dbraw/zinc/18/25/84/668182584.db2.gz UIBHNVBADGIFDF-SFYZADRCSA-N -1 3 337.340 -1.954 20 0 EAADHM O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027094729 668182599 /nfs/dbraw/zinc/18/25/99/668182599.db2.gz UIBHNVBADGIFDF-YUMQZZPRSA-N -1 3 337.340 -1.954 20 0 EAADHM O=C(C1CC(=O)NC(=O)C1)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027121072 668184781 /nfs/dbraw/zinc/18/47/81/668184781.db2.gz PRQYNIXIYZMMFJ-MRVPVSSYSA-N -1 3 336.352 -1.499 20 0 EAADHM O=C(C1CC(=O)NC(=O)C1)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027121073 668184898 /nfs/dbraw/zinc/18/48/98/668184898.db2.gz PRQYNIXIYZMMFJ-QMMMGPOBSA-N -1 3 336.352 -1.499 20 0 EAADHM O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@H](CNCc2cnon2)C1 ZINC001027124800 668186400 /nfs/dbraw/zinc/18/64/00/668186400.db2.gz SATPZCGTISWYKB-LLVKDONJSA-N -1 3 348.363 -1.052 20 0 EAADHM O=C(CCn1cc[n-]c(=O)c1=O)N1CC[C@@H](CNCc2cnon2)C1 ZINC001027124801 668186405 /nfs/dbraw/zinc/18/64/05/668186405.db2.gz SATPZCGTISWYKB-NSHDSACASA-N -1 3 348.363 -1.052 20 0 EAADHM O=C(CN1CC(=O)NC1=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027126487 668185876 /nfs/dbraw/zinc/18/58/76/668185876.db2.gz VXMRTDGWKZENMM-MRVPVSSYSA-N -1 3 337.340 -2.000 20 0 EAADHM O=C(CN1CC(=O)NC1=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027126488 668185751 /nfs/dbraw/zinc/18/57/51/668185751.db2.gz VXMRTDGWKZENMM-QMMMGPOBSA-N -1 3 337.340 -2.000 20 0 EAADHM Cn1ncc(CNC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001027191062 668200706 /nfs/dbraw/zinc/20/07/06/668200706.db2.gz FWEOQQBQOUJTEE-SECBINFHSA-N -1 3 336.356 -1.544 20 0 EAADHM Cn1ncc(CNC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)n1 ZINC001027191063 668200762 /nfs/dbraw/zinc/20/07/62/668200762.db2.gz FWEOQQBQOUJTEE-VIFPVBQESA-N -1 3 336.356 -1.544 20 0 EAADHM Cn1cnnc1CNC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001027191412 668200521 /nfs/dbraw/zinc/20/05/21/668200521.db2.gz MGNHKFODWBSJCJ-SECBINFHSA-N -1 3 336.356 -1.544 20 0 EAADHM Cn1cnnc1CNC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001027191413 668200691 /nfs/dbraw/zinc/20/06/91/668200691.db2.gz MGNHKFODWBSJCJ-VIFPVBQESA-N -1 3 336.356 -1.544 20 0 EAADHM Cn1ncnc1CNC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001027191630 668200663 /nfs/dbraw/zinc/20/06/63/668200663.db2.gz RRRLVVDDOCFVRX-SECBINFHSA-N -1 3 336.356 -1.544 20 0 EAADHM Cn1ncnc1CNC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001027191631 668200478 /nfs/dbraw/zinc/20/04/78/668200478.db2.gz RRRLVVDDOCFVRX-VIFPVBQESA-N -1 3 336.356 -1.544 20 0 EAADHM Cn1nnnc1CNC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001027191880 668200769 /nfs/dbraw/zinc/20/07/69/668200769.db2.gz ZQHFBZDJOGGXTQ-MRVPVSSYSA-N -1 3 337.344 -2.149 20 0 EAADHM Cn1nnnc1CNC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001027191881 668200752 /nfs/dbraw/zinc/20/07/52/668200752.db2.gz ZQHFBZDJOGGXTQ-QMMMGPOBSA-N -1 3 337.344 -2.149 20 0 EAADHM Cn1cc(CNC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001027192759 668200745 /nfs/dbraw/zinc/20/07/45/668200745.db2.gz PWOHFOJIOCEIEE-SECBINFHSA-N -1 3 336.356 -1.544 20 0 EAADHM Cn1cc(CNC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001027192760 668200668 /nfs/dbraw/zinc/20/06/68/668200668.db2.gz PWOHFOJIOCEIEE-VIFPVBQESA-N -1 3 336.356 -1.544 20 0 EAADHM Cn1nc(C(=O)N2CC[C@H](CNCc3n[nH]c(=O)[n-]3)C2)ccc1=O ZINC001027203161 668201028 /nfs/dbraw/zinc/20/10/28/668201028.db2.gz HDUPJNYKOOFAMZ-SECBINFHSA-N -1 3 333.352 -1.144 20 0 EAADHM Cn1nc(C(=O)N2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)ccc1=O ZINC001027203162 668201366 /nfs/dbraw/zinc/20/13/66/668201366.db2.gz HDUPJNYKOOFAMZ-VIFPVBQESA-N -1 3 333.352 -1.144 20 0 EAADHM O=C(CN1C(=O)CNC1=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027207311 668202992 /nfs/dbraw/zinc/20/29/92/668202992.db2.gz YWAWMSYIGJYQEC-MRVPVSSYSA-N -1 3 337.340 -2.000 20 0 EAADHM O=C(CN1C(=O)CNC1=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027207312 668203127 /nfs/dbraw/zinc/20/31/27/668203127.db2.gz YWAWMSYIGJYQEC-QMMMGPOBSA-N -1 3 337.340 -2.000 20 0 EAADHM NC(=O)c1nccnc1C(=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027207683 668203042 /nfs/dbraw/zinc/20/30/42/668203042.db2.gz KUZWNUFJTUEFRW-MRVPVSSYSA-N -1 3 346.351 -1.349 20 0 EAADHM NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027207684 668203347 /nfs/dbraw/zinc/20/33/47/668203347.db2.gz KUZWNUFJTUEFRW-QMMMGPOBSA-N -1 3 346.351 -1.349 20 0 EAADHM O=C(CN1C(=O)CCC1=O)N1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027207699 668203589 /nfs/dbraw/zinc/20/35/89/668203589.db2.gz LCHXXHXTIFKCGV-SECBINFHSA-N -1 3 336.352 -1.403 20 0 EAADHM O=C(CN1C(=O)CCC1=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001027207700 668203451 /nfs/dbraw/zinc/20/34/51/668203451.db2.gz LCHXXHXTIFKCGV-VIFPVBQESA-N -1 3 336.352 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339.396 -1.150 20 0 EAADHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001028605278 668800478 /nfs/dbraw/zinc/80/04/78/668800478.db2.gz QCZGJKSGOYXFTL-LOWVWBTDSA-N -1 3 339.396 -1.150 20 0 EAADHM Cn1[n-]c(CN2CC[C@H](CNC(=O)c3cnc[nH]c3=O)C2)nc1=O ZINC001028621272 668801032 /nfs/dbraw/zinc/80/10/32/668801032.db2.gz VBRIBAYAVQKZST-SECBINFHSA-N -1 3 333.352 -1.144 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H](CNC(=O)c3cnc[nH]c3=O)C2)nc1=O ZINC001028621273 668800812 /nfs/dbraw/zinc/80/08/12/668800812.db2.gz VBRIBAYAVQKZST-VIFPVBQESA-N -1 3 333.352 -1.144 20 0 EAADHM CN1CC[C@H](N2CC[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1=O ZINC001028660997 668806477 /nfs/dbraw/zinc/80/64/77/668806477.db2.gz FFQRBWKPRLKSCP-BDAKNGLRSA-N -1 3 336.352 -1.435 20 0 EAADHM CN1CC[C@@H](N2CC[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1=O ZINC001028660998 668806539 /nfs/dbraw/zinc/80/65/39/668806539.db2.gz FFQRBWKPRLKSCP-DTWKUNHWSA-N -1 3 336.352 -1.435 20 0 EAADHM 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JKZGJOYJKASNMT-JTQLQIEISA-N -1 3 347.379 -1.546 20 0 EAADHM Cn1[n-]c(CN2CC[C@H](CNC(=O)c3cn(C)c(=O)cn3)C2)nc1=O ZINC001028700604 668812723 /nfs/dbraw/zinc/81/27/23/668812723.db2.gz JKZGJOYJKASNMT-SNVBAGLBSA-N -1 3 347.379 -1.546 20 0 EAADHM CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001028733656 668817710 /nfs/dbraw/zinc/81/77/10/668817710.db2.gz HBGMMVOEPINUEY-GXSJLCMTSA-N -1 3 337.380 -1.199 20 0 EAADHM CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001028733657 668817653 /nfs/dbraw/zinc/81/76/53/668817653.db2.gz HBGMMVOEPINUEY-KOLCDFICSA-N -1 3 337.380 -1.199 20 0 EAADHM CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001028733658 668817660 /nfs/dbraw/zinc/81/76/60/668817660.db2.gz HBGMMVOEPINUEY-MWLCHTKSSA-N -1 3 337.380 -1.199 20 0 EAADHM CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001028733659 668817530 /nfs/dbraw/zinc/81/75/30/668817530.db2.gz HBGMMVOEPINUEY-ONGXEEELSA-N -1 3 337.380 -1.199 20 0 EAADHM 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668818560 /nfs/dbraw/zinc/81/85/60/668818560.db2.gz SKVKSGNPRHVZFJ-VIFPVBQESA-N -1 3 335.368 -1.201 20 0 EAADHM CN1C[C@H](C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O ZINC001028740136 668818444 /nfs/dbraw/zinc/81/84/44/668818444.db2.gz OFSVIRNMIGSDJH-NXEZZACHSA-N -1 3 337.384 -1.930 20 0 EAADHM CN1C[C@@H](C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O ZINC001028740141 668818530 /nfs/dbraw/zinc/81/85/30/668818530.db2.gz OFSVIRNMIGSDJH-UWVGGRQHSA-N -1 3 337.384 -1.930 20 0 EAADHM CN1C[C@H](C(=O)NC[C@@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O ZINC001028740142 668818393 /nfs/dbraw/zinc/81/83/93/668818393.db2.gz OFSVIRNMIGSDJH-VHSXEESVSA-N -1 3 337.384 -1.930 20 0 EAADHM CN1C[C@@H](C(=O)NC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)NC1=O ZINC001028740143 668818492 /nfs/dbraw/zinc/81/84/92/668818492.db2.gz OFSVIRNMIGSDJH-ZJUUUORDSA-N -1 3 337.384 -1.930 20 0 EAADHM Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O ZINC001028749964 668818736 /nfs/dbraw/zinc/81/87/36/668818736.db2.gz 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WGHMOFRPWXFBDR-ZJUUUORDSA-N -1 3 335.372 -1.086 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036401023 669552285 /nfs/dbraw/zinc/55/22/85/669552285.db2.gz NCRDVKRWTAFHOE-NXEZZACHSA-N -1 3 335.372 -1.086 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036401024 669552338 /nfs/dbraw/zinc/55/23/38/669552338.db2.gz NCRDVKRWTAFHOE-UWVGGRQHSA-N -1 3 335.372 -1.086 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036401026 669551894 /nfs/dbraw/zinc/55/18/94/669551894.db2.gz NCRDVKRWTAFHOE-VHSXEESVSA-N -1 3 335.372 -1.086 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001036401027 669552048 /nfs/dbraw/zinc/55/20/48/669552048.db2.gz NCRDVKRWTAFHOE-ZJUUUORDSA-N -1 3 335.372 -1.086 20 0 EAADHM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036496566 669552954 /nfs/dbraw/zinc/55/29/54/669552954.db2.gz ADFXEBGLDZRVDE-GHMZBOCLSA-N -1 3 349.399 -1.488 20 0 EAADHM C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036496567 669552772 /nfs/dbraw/zinc/55/27/72/669552772.db2.gz ADFXEBGLDZRVDE-MNOVXSKESA-N -1 3 349.399 -1.488 20 0 EAADHM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036496568 669552613 /nfs/dbraw/zinc/55/26/13/669552613.db2.gz ADFXEBGLDZRVDE-QWRGUYRKSA-N -1 3 349.399 -1.488 20 0 EAADHM C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036496569 669552538 /nfs/dbraw/zinc/55/25/38/669552538.db2.gz ADFXEBGLDZRVDE-WDEREUQCSA-N -1 3 349.399 -1.488 20 0 EAADHM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036552267 669553002 /nfs/dbraw/zinc/55/30/02/669553002.db2.gz XDEOJNNSKBFDOP-GHMZBOCLSA-N -1 3 349.399 -1.488 20 0 EAADHM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036552268 669553614 /nfs/dbraw/zinc/55/36/14/669553614.db2.gz XDEOJNNSKBFDOP-MNOVXSKESA-N -1 3 349.399 -1.488 20 0 EAADHM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036552269 669553681 /nfs/dbraw/zinc/55/36/81/669553681.db2.gz XDEOJNNSKBFDOP-QWRGUYRKSA-N -1 3 349.399 -1.488 20 0 EAADHM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036552270 669553583 /nfs/dbraw/zinc/55/35/83/669553583.db2.gz XDEOJNNSKBFDOP-WDEREUQCSA-N -1 3 349.399 -1.488 20 0 EAADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036569911 669553778 /nfs/dbraw/zinc/55/37/78/669553778.db2.gz VBFGTKPVRPXQJY-NXEZZACHSA-N -1 3 349.399 -1.338 20 0 EAADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036569912 669553749 /nfs/dbraw/zinc/55/37/49/669553749.db2.gz VBFGTKPVRPXQJY-UWVGGRQHSA-N -1 3 349.399 -1.338 20 0 EAADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036569913 669553410 /nfs/dbraw/zinc/55/34/10/669553410.db2.gz VBFGTKPVRPXQJY-VHSXEESVSA-N -1 3 349.399 -1.338 20 0 EAADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001036569914 669553560 /nfs/dbraw/zinc/55/35/60/669553560.db2.gz VBFGTKPVRPXQJY-ZJUUUORDSA-N -1 3 349.399 -1.338 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)Cn4cnnn4)CC[C@H]32)nc1=O ZINC001036639875 669553324 /nfs/dbraw/zinc/55/33/24/669553324.db2.gz CEMCUFHOALYEOE-GHMZBOCLSA-N -1 3 347.383 -1.782 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)Cn4cnnn4)CC[C@@H]32)nc1=O ZINC001036639876 669553639 /nfs/dbraw/zinc/55/36/39/669553639.db2.gz CEMCUFHOALYEOE-MNOVXSKESA-N -1 3 347.383 -1.782 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)Cn4cnnn4)CC[C@@H]32)nc1=O ZINC001036639877 669553553 /nfs/dbraw/zinc/55/35/53/669553553.db2.gz CEMCUFHOALYEOE-QWRGUYRKSA-N -1 3 347.383 -1.782 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)Cn4cnnn4)CC[C@H]32)nc1=O ZINC001036639878 669553575 /nfs/dbraw/zinc/55/35/75/669553575.db2.gz CEMCUFHOALYEOE-WDEREUQCSA-N -1 3 347.383 -1.782 20 0 EAADHM Cn1nncc1C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nc(=O)n(C)[n-]2)C1 ZINC001036704291 669598629 /nfs/dbraw/zinc/59/86/29/669598629.db2.gz RBJWDHFFZBGINI-GHMZBOCLSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1nncc1C(=O)N1CC[C@H]2[C@H](CCN2Cc2nc(=O)n(C)[n-]2)C1 ZINC001036704292 669598676 /nfs/dbraw/zinc/59/86/76/669598676.db2.gz RBJWDHFFZBGINI-MNOVXSKESA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1nncc1C(=O)N1CC[C@H]2[C@@H](CCN2Cc2nc(=O)n(C)[n-]2)C1 ZINC001036704293 669598583 /nfs/dbraw/zinc/59/85/83/669598583.db2.gz RBJWDHFFZBGINI-QWRGUYRKSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1nncc1C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2nc(=O)n(C)[n-]2)C1 ZINC001036704294 669598760 /nfs/dbraw/zinc/59/87/60/669598760.db2.gz RBJWDHFFZBGINI-WDEREUQCSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)nn1 ZINC001036705579 669601149 /nfs/dbraw/zinc/60/11/49/669601149.db2.gz LDVLZNMKDDZUJK-CMPLNLGQSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)nn1 ZINC001036705580 669601400 /nfs/dbraw/zinc/60/14/00/669601400.db2.gz LDVLZNMKDDZUJK-JQWIXIFHSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1cc(C(=O)N2CC[C@H]3[C@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)nn1 ZINC001036705581 669601253 /nfs/dbraw/zinc/60/12/53/669601253.db2.gz LDVLZNMKDDZUJK-PWSUYJOCSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)nn1 ZINC001036705582 669601117 /nfs/dbraw/zinc/60/11/17/669601117.db2.gz LDVLZNMKDDZUJK-ZYHUDNBSSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1cnc(C(=O)N2CC[C@@H]3[C@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036706947 669601674 /nfs/dbraw/zinc/60/16/74/669601674.db2.gz GTZTYZVHTDVTBA-GHMZBOCLSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1cnc(C(=O)N2CC[C@H]3[C@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036706948 669601827 /nfs/dbraw/zinc/60/18/27/669601827.db2.gz GTZTYZVHTDVTBA-MNOVXSKESA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1cnc(C(=O)N2CC[C@H]3[C@@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036706949 669601909 /nfs/dbraw/zinc/60/19/09/669601909.db2.gz GTZTYZVHTDVTBA-QWRGUYRKSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1cnc(C(=O)N2CC[C@@H]3[C@@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036706950 669601802 /nfs/dbraw/zinc/60/18/02/669601802.db2.gz GTZTYZVHTDVTBA-WDEREUQCSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)Cn4ncnn4)CC[C@H]32)nc1=O ZINC001036716595 670081791 /nfs/dbraw/zinc/08/17/91/670081791.db2.gz IIMCXFJRIDYTIZ-GHMZBOCLSA-N -1 3 347.383 -1.782 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)Cn4ncnn4)CC[C@@H]32)nc1=O ZINC001036716596 670082078 /nfs/dbraw/zinc/08/20/78/670082078.db2.gz IIMCXFJRIDYTIZ-MNOVXSKESA-N -1 3 347.383 -1.782 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)Cn4ncnn4)CC[C@@H]32)nc1=O ZINC001036716597 670081876 /nfs/dbraw/zinc/08/18/76/670081876.db2.gz IIMCXFJRIDYTIZ-QWRGUYRKSA-N -1 3 347.383 -1.782 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)Cn4ncnn4)CC[C@H]32)nc1=O ZINC001036716598 670081765 /nfs/dbraw/zinc/08/17/65/670081765.db2.gz IIMCXFJRIDYTIZ-WDEREUQCSA-N -1 3 347.383 -1.782 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)Cn4nccn4)CC[C@@H]32)nc1=O ZINC001036727659 670082923 /nfs/dbraw/zinc/08/29/23/670082923.db2.gz HRDUULUYBNZYGE-NEPJUHHUSA-N -1 3 346.395 -1.177 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)Cn4nccn4)CC[C@H]32)nc1=O ZINC001036727660 670082841 /nfs/dbraw/zinc/08/28/41/670082841.db2.gz HRDUULUYBNZYGE-NWDGAFQWSA-N -1 3 346.395 -1.177 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)Cn4nccn4)CC[C@@H]32)nc1=O ZINC001036727661 670082856 /nfs/dbraw/zinc/08/28/56/670082856.db2.gz HRDUULUYBNZYGE-RYUDHWBXSA-N -1 3 346.395 -1.177 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)Cn4nccn4)CC[C@H]32)nc1=O ZINC001036727662 670082934 /nfs/dbraw/zinc/08/29/34/670082934.db2.gz HRDUULUYBNZYGE-VXGBXAGGSA-N -1 3 346.395 -1.177 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)c4cn[nH]n4)CC[C@H]32)nc1=O ZINC001036758455 670084065 /nfs/dbraw/zinc/08/40/65/670084065.db2.gz VBKCQGQGQRZQQB-GXSJLCMTSA-N -1 3 332.368 -1.037 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)c4cn[nH]n4)CC[C@@H]32)nc1=O ZINC001036758456 670084250 /nfs/dbraw/zinc/08/42/50/670084250.db2.gz VBKCQGQGQRZQQB-KOLCDFICSA-N -1 3 332.368 -1.037 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)c4cn[nH]n4)CC[C@H]32)nc1=O ZINC001036758457 670083870 /nfs/dbraw/zinc/08/38/70/670083870.db2.gz VBKCQGQGQRZQQB-MWLCHTKSSA-N -1 3 332.368 -1.037 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)c4cn[nH]n4)CC[C@@H]32)nc1=O ZINC001036758458 670084217 /nfs/dbraw/zinc/08/42/17/670084217.db2.gz VBKCQGQGQRZQQB-ONGXEEELSA-N -1 3 332.368 -1.037 20 0 EAADHM CNC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21 ZINC001036763211 670084183 /nfs/dbraw/zinc/08/41/83/670084183.db2.gz XGZOZABRWOPERH-BDAKNGLRSA-N -1 3 336.352 -1.435 20 0 EAADHM CNC(=O)CN1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21 ZINC001036763212 670083621 /nfs/dbraw/zinc/08/36/21/670083621.db2.gz XGZOZABRWOPERH-DTWKUNHWSA-N -1 3 336.352 -1.435 20 0 EAADHM CNC(=O)CN1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]21 ZINC001036763213 670084229 /nfs/dbraw/zinc/08/42/29/670084229.db2.gz XGZOZABRWOPERH-IUCAKERBSA-N -1 3 336.352 -1.435 20 0 EAADHM CNC(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@H]21 ZINC001036763214 670083602 /nfs/dbraw/zinc/08/36/02/670083602.db2.gz XGZOZABRWOPERH-RKDXNWHRSA-N -1 3 336.352 -1.435 20 0 EAADHM CNC(=O)CN1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)CC[C@H]21 ZINC001036790463 670084130 /nfs/dbraw/zinc/08/41/30/670084130.db2.gz IQIIEADVBYJAQF-CMPLNLGQSA-N -1 3 349.391 -1.232 20 0 EAADHM CNC(=O)CN1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)CC[C@@H]21 ZINC001036790464 670083504 /nfs/dbraw/zinc/08/35/04/670083504.db2.gz IQIIEADVBYJAQF-JQWIXIFHSA-N -1 3 349.391 -1.232 20 0 EAADHM CNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)CC[C@@H]21 ZINC001036790465 670084016 /nfs/dbraw/zinc/08/40/16/670084016.db2.gz IQIIEADVBYJAQF-PWSUYJOCSA-N -1 3 349.391 -1.232 20 0 EAADHM CNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)CC[C@H]21 ZINC001036790466 670083799 /nfs/dbraw/zinc/08/37/99/670083799.db2.gz IQIIEADVBYJAQF-ZYHUDNBSSA-N -1 3 349.391 -1.232 20 0 EAADHM Cn1nnc(C(=O)N2CC[C@@H]3[C@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036793323 670083535 /nfs/dbraw/zinc/08/35/35/670083535.db2.gz CJWYYZSFWKRILP-NXEZZACHSA-N -1 3 347.383 -1.632 20 0 EAADHM Cn1nnc(C(=O)N2CC[C@H]3[C@@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036793324 670083944 /nfs/dbraw/zinc/08/39/44/670083944.db2.gz CJWYYZSFWKRILP-UWVGGRQHSA-N -1 3 347.383 -1.632 20 0 EAADHM Cn1nnc(C(=O)N2CC[C@@H]3[C@@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036793325 670083771 /nfs/dbraw/zinc/08/37/71/670083771.db2.gz CJWYYZSFWKRILP-VHSXEESVSA-N -1 3 347.383 -1.632 20 0 EAADHM Cn1nnc(C(=O)N2CC[C@H]3[C@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036793326 670085091 /nfs/dbraw/zinc/08/50/91/670085091.db2.gz CJWYYZSFWKRILP-ZJUUUORDSA-N -1 3 347.383 -1.632 20 0 EAADHM NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001036805967 670086153 /nfs/dbraw/zinc/08/61/53/670086153.db2.gz IDHAZNYYDQYEMT-CMPLNLGQSA-N -1 3 344.375 -1.069 20 0 EAADHM NC(=O)C(=O)N1CC[C@H]2[C@@H](CCN2Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001036805968 670085837 /nfs/dbraw/zinc/08/58/37/670085837.db2.gz IDHAZNYYDQYEMT-JQWIXIFHSA-N -1 3 344.375 -1.069 20 0 EAADHM NC(=O)C(=O)N1CC[C@H]2[C@H](CCN2Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001036805969 670085980 /nfs/dbraw/zinc/08/59/80/670085980.db2.gz IDHAZNYYDQYEMT-PWSUYJOCSA-N -1 3 344.375 -1.069 20 0 EAADHM NC(=O)C(=O)N1CC[C@@H]2[C@H](CCN2Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001036805970 670085594 /nfs/dbraw/zinc/08/55/94/670085594.db2.gz IDHAZNYYDQYEMT-ZYHUDNBSSA-N -1 3 344.375 -1.069 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)CC[C@H]32)nc1=O ZINC001036807295 670084855 /nfs/dbraw/zinc/08/48/55/670084855.db2.gz APPVRMPOFCROSH-GHMZBOCLSA-N -1 3 348.407 -1.203 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C4(C(N)=O)CC4)CC[C@@H]32)nc1=O ZINC001036807296 670085056 /nfs/dbraw/zinc/08/50/56/670085056.db2.gz APPVRMPOFCROSH-MNOVXSKESA-N -1 3 348.407 -1.203 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)C4(C(N)=O)CC4)CC[C@@H]32)nc1=O ZINC001036807297 670084554 /nfs/dbraw/zinc/08/45/54/670084554.db2.gz APPVRMPOFCROSH-QWRGUYRKSA-N -1 3 348.407 -1.203 20 0 EAADHM Cn1[n-]c(CN2CC[C@H]3CN(C(=O)C4(C(N)=O)CC4)CC[C@H]32)nc1=O ZINC001036807298 670085169 /nfs/dbraw/zinc/08/51/69/670085169.db2.gz APPVRMPOFCROSH-WDEREUQCSA-N -1 3 348.407 -1.203 20 0 EAADHM Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036842799 670085532 /nfs/dbraw/zinc/08/55/32/670085532.db2.gz VFPWRHPCEUXCLS-CMPLNLGQSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1ncc(C(=O)N2CC[C@H]3[C@@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036842800 670086037 /nfs/dbraw/zinc/08/60/37/670086037.db2.gz VFPWRHPCEUXCLS-JQWIXIFHSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1ncc(C(=O)N2CC[C@H]3[C@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036842801 670085786 /nfs/dbraw/zinc/08/57/86/670085786.db2.gz VFPWRHPCEUXCLS-PWSUYJOCSA-N -1 3 346.395 -1.027 20 0 EAADHM Cn1ncc(C(=O)N2CC[C@@H]3[C@H](CCN3Cc3nc(=O)n(C)[n-]3)C2)n1 ZINC001036842802 670085940 /nfs/dbraw/zinc/08/59/40/670085940.db2.gz VFPWRHPCEUXCLS-ZYHUDNBSSA-N -1 3 346.395 -1.027 20 0 EAADHM NC(=O)CN1CC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)CC[C@@H]21 ZINC001036844327 670085512 /nfs/dbraw/zinc/08/55/12/670085512.db2.gz UMDKYWGONQEANP-NEPJUHHUSA-N -1 3 349.391 -1.665 20 0 EAADHM NC(=O)CN1CC[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)CC[C@H]21 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Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H]1CN(Cc2nncn2C)C[C@@H]1O ZINC001047497464 673958755 /nfs/dbraw/zinc/95/87/55/673958755.db2.gz UEJQECIKBCZGBU-QWRGUYRKSA-N -1 3 347.379 -1.064 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001047497470 673958705 /nfs/dbraw/zinc/95/87/05/673958705.db2.gz UHFOYYBRGYNGTH-RYUDHWBXSA-N -1 3 349.391 -1.114 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H]1CN(Cc2cnnn2C)C[C@@H]1O ZINC001047497543 673958653 /nfs/dbraw/zinc/95/86/53/673958653.db2.gz VTWIEPIVZUHCDZ-RYUDHWBXSA-N -1 3 347.379 -1.064 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H]1CN(Cc2nnn(C)n2)C[C@@H]1O ZINC001047497651 673958714 /nfs/dbraw/zinc/95/87/14/673958714.db2.gz XKAPBWUUGCQEQE-UWVGGRQHSA-N -1 3 348.367 -1.669 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001047497832 673958606 /nfs/dbraw/zinc/95/86/06/673958606.db2.gz YUQXGFSNQVOOMJ-DCAQKATOSA-N -1 3 335.364 -1.504 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001047497834 673958536 /nfs/dbraw/zinc/95/85/36/673958536.db2.gz YUQXGFSNQVOOMJ-VWYCJHECSA-N -1 3 335.364 -1.504 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H]1CN(Cc2cnn(C)n2)C[C@@H]1O ZINC001047497840 673958683 /nfs/dbraw/zinc/95/86/83/673958683.db2.gz ZCNZEKQVVRINEE-RYUDHWBXSA-N -1 3 347.379 -1.064 20 0 EAADHM CN(C(=O)C(N)=O)[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001047510903 673960962 /nfs/dbraw/zinc/96/09/62/673960962.db2.gz HVZCISKNBQLGRY-QWRGUYRKSA-N -1 3 335.364 -1.452 20 0 EAADHM C[C@H]1CCN(CC(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001047527601 673962622 /nfs/dbraw/zinc/96/26/22/673962622.db2.gz ILEWOCIXLBLYKI-SRVKXCTJSA-N -1 3 338.412 -1.144 20 0 EAADHM C[C@@H]1CCN(CC(=O)N(C)[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2O)C1 ZINC001047527603 673962791 /nfs/dbraw/zinc/96/27/91/673962791.db2.gz ILEWOCIXLBLYKI-WOPDTQHZSA-N -1 3 338.412 -1.144 20 0 EAADHM C[C@H]1CCCN1CC(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047528517 673962676 /nfs/dbraw/zinc/96/26/76/673962676.db2.gz SPIGIQOJOFKLGB-SRVKXCTJSA-N -1 3 338.412 -1.002 20 0 EAADHM C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001047528518 673962643 /nfs/dbraw/zinc/96/26/43/673962643.db2.gz SPIGIQOJOFKLGB-WOPDTQHZSA-N -1 3 338.412 -1.002 20 0 EAADHM CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001047554759 673965060 /nfs/dbraw/zinc/96/50/60/673965060.db2.gz GNVAWCDMTCTAON-RYUDHWBXSA-N -1 3 349.391 -1.077 20 0 EAADHM CN(C(=O)c1c[n-]n2c1nccc2=O)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047554783 673964970 /nfs/dbraw/zinc/96/49/70/673964970.db2.gz HZZUAXQZFUWJLI-RYUDHWBXSA-N -1 3 335.364 -1.478 20 0 EAADHM CN(C(=O)c1cc(=O)n2[n-]cnc2n1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047593274 673970031 /nfs/dbraw/zinc/97/00/31/673970031.db2.gz CNAVMZNBYXPTSD-QWRGUYRKSA-N -1 3 338.343 -1.106 20 0 EAADHM CN(C(=O)c1cc(=O)n2[n-]cnc2n1)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047593540 673970142 /nfs/dbraw/zinc/97/01/42/673970142.db2.gz LOQSLQUKVINCAY-QWRGUYRKSA-N -1 3 336.352 -2.083 20 0 EAADHM C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001047593562 673969957 /nfs/dbraw/zinc/96/99/57/673969957.db2.gz MCAQOAQMQVCMDN-LSJOCFKGSA-N -1 3 336.352 -2.085 20 0 EAADHM C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001047593563 673970076 /nfs/dbraw/zinc/97/00/76/673970076.db2.gz MCAQOAQMQVCMDN-MIMYLULJSA-N -1 3 336.352 -2.085 20 0 EAADHM COCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001047593758 673970152 /nfs/dbraw/zinc/97/01/52/673970152.db2.gz VDKMZQLEXBFQRZ-QWRGUYRKSA-N -1 3 336.352 -1.819 20 0 EAADHM COCCN1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001047597202 673970015 /nfs/dbraw/zinc/97/00/15/673970015.db2.gz ISYFNVSQNQPLCO-IUCAKERBSA-N -1 3 342.352 -1.340 20 0 EAADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047597204 673970054 /nfs/dbraw/zinc/97/00/54/673970054.db2.gz IUVXDAGFIFMDGS-YUMQZZPRSA-N -1 3 328.325 -1.994 20 0 EAADHM CN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047602245 673971378 /nfs/dbraw/zinc/97/13/78/673971378.db2.gz FNKNLCGDQZEWFB-RYUDHWBXSA-N -1 3 346.343 -1.827 20 0 EAADHM CN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CN(CCO)C[C@@H]1O ZINC001047602553 673971384 /nfs/dbraw/zinc/97/13/84/673971384.db2.gz RYWCBNGLJJEEOJ-STQMWFEESA-N -1 3 333.344 -1.320 20 0 EAADHM CO[C@@H](C)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001047609235 673971843 /nfs/dbraw/zinc/97/18/43/673971843.db2.gz BYFOIRVXWYDPEO-GUBZILKMSA-N -1 3 329.357 -1.772 20 0 EAADHM CO[C@H](C)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001047609238 673971779 /nfs/dbraw/zinc/97/17/79/673971779.db2.gz BYFOIRVXWYDPEO-UTLUCORTSA-N -1 3 329.357 -1.772 20 0 EAADHM COC[C@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001047611862 673972035 /nfs/dbraw/zinc/97/20/35/673972035.db2.gz XCLGDQWJGXLYNT-GUBZILKMSA-N -1 3 329.357 -1.772 20 0 EAADHM COC[C@@H](C)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001047611863 673972126 /nfs/dbraw/zinc/97/21/26/673972126.db2.gz XCLGDQWJGXLYNT-UTLUCORTSA-N -1 3 329.357 -1.772 20 0 EAADHM Cc1nc(C)c(CC(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)c(=O)[n-]1 ZINC001047623914 673973762 /nfs/dbraw/zinc/97/37/62/673973762.db2.gz VRPNUNBUYHAXOU-RYUDHWBXSA-N -1 3 337.380 -1.670 20 0 EAADHM CN(C(=O)CN1CCCC1)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001047627871 673974104 /nfs/dbraw/zinc/97/41/04/673974104.db2.gz XZAZBBBIPCYKQT-RYUDHWBXSA-N -1 3 338.412 -1.792 20 0 EAADHM Cc1nccn1CC(=O)N(C)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001047629906 673974691 /nfs/dbraw/zinc/97/46/91/673974691.db2.gz DHPBMHNNPGKXLY-RYUDHWBXSA-N -1 3 349.395 -1.683 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001047751180 673977285 /nfs/dbraw/zinc/97/72/85/673977285.db2.gz TVORJCYRRZSKRG-BDAKNGLRSA-N -1 3 331.398 -1.119 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001047751182 673977262 /nfs/dbraw/zinc/97/72/62/673977262.db2.gz TVORJCYRRZSKRG-DTWKUNHWSA-N -1 3 331.398 -1.119 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001047751184 673977325 /nfs/dbraw/zinc/97/73/25/673977325.db2.gz TVORJCYRRZSKRG-IUCAKERBSA-N -1 3 331.398 -1.119 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001047751186 673977256 /nfs/dbraw/zinc/97/72/56/673977256.db2.gz TVORJCYRRZSKRG-RKDXNWHRSA-N -1 3 331.398 -1.119 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001047803152 673977320 /nfs/dbraw/zinc/97/73/20/673977320.db2.gz SADHIVLPCIOPPR-BDAKNGLRSA-N -1 3 336.356 -1.166 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001047803157 673977749 /nfs/dbraw/zinc/97/77/49/673977749.db2.gz SADHIVLPCIOPPR-DTWKUNHWSA-N -1 3 336.356 -1.166 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001047803161 673977732 /nfs/dbraw/zinc/97/77/32/673977732.db2.gz SADHIVLPCIOPPR-IUCAKERBSA-N -1 3 336.356 -1.166 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001047803164 673977673 /nfs/dbraw/zinc/97/76/73/673977673.db2.gz SADHIVLPCIOPPR-RKDXNWHRSA-N -1 3 336.356 -1.166 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001047861526 673977761 /nfs/dbraw/zinc/97/77/61/673977761.db2.gz WVERFMDUGURNPG-BDAKNGLRSA-N -1 3 343.409 -1.119 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001047861527 673977589 /nfs/dbraw/zinc/97/75/89/673977589.db2.gz WVERFMDUGURNPG-DTWKUNHWSA-N -1 3 343.409 -1.119 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001047861528 673977783 /nfs/dbraw/zinc/97/77/83/673977783.db2.gz WVERFMDUGURNPG-IUCAKERBSA-N -1 3 343.409 -1.119 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001047861529 673977773 /nfs/dbraw/zinc/97/77/73/673977773.db2.gz WVERFMDUGURNPG-RKDXNWHRSA-N -1 3 343.409 -1.119 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013830 673980897 /nfs/dbraw/zinc/98/08/97/673980897.db2.gz CRXZCMVMWNJQCJ-NXEZZACHSA-N -1 3 335.372 -1.086 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013832 673980705 /nfs/dbraw/zinc/98/07/05/673980705.db2.gz CRXZCMVMWNJQCJ-UWVGGRQHSA-N -1 3 335.372 -1.086 20 0 EAADHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013833 673980832 /nfs/dbraw/zinc/98/08/32/673980832.db2.gz CRXZCMVMWNJQCJ-VHSXEESVSA-N -1 3 335.372 -1.086 20 0 EAADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001048013835 673980808 /nfs/dbraw/zinc/98/08/08/673980808.db2.gz CRXZCMVMWNJQCJ-ZJUUUORDSA-N -1 3 335.372 -1.086 20 0 EAADHM CC(=O)NCC(=O)N(C)[C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001048085282 673984847 /nfs/dbraw/zinc/98/48/47/673984847.db2.gz WYCFBYWQMDPWLJ-QWRGUYRKSA-N -1 3 337.336 -2.038 20 0 EAADHM C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001048164466 673987323 /nfs/dbraw/zinc/98/73/23/673987323.db2.gz OIKMCILWMFPAIL-BDAKNGLRSA-N -1 3 331.398 -1.261 20 0 EAADHM C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001048164467 673987237 /nfs/dbraw/zinc/98/72/37/673987237.db2.gz OIKMCILWMFPAIL-DTWKUNHWSA-N -1 3 331.398 -1.261 20 0 EAADHM C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001048164468 673987167 /nfs/dbraw/zinc/98/71/67/673987167.db2.gz OIKMCILWMFPAIL-IUCAKERBSA-N -1 3 331.398 -1.261 20 0 EAADHM C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001048164469 673987286 /nfs/dbraw/zinc/98/72/86/673987286.db2.gz OIKMCILWMFPAIL-RKDXNWHRSA-N -1 3 331.398 -1.261 20 0 EAADHM CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001048196480 673988504 /nfs/dbraw/zinc/98/85/04/673988504.db2.gz RXDUBEQURAYICL-JQWIXIFHSA-N -1 3 336.348 -1.296 20 0 EAADHM CN(C(=O)CNC(N)=O)[C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001048207684 673990328 /nfs/dbraw/zinc/99/03/28/673990328.db2.gz QTDGFGPKWKWQNV-IUCAKERBSA-N 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C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1CNCc1nncn1C ZINC001048302222 673993898 /nfs/dbraw/zinc/99/38/98/673993898.db2.gz BPRDHUYQQIBIFB-BDAKNGLRSA-N -1 3 348.367 -1.091 20 0 EAADHM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNCc1nncn1C ZINC001048302225 673993988 /nfs/dbraw/zinc/99/39/88/673993988.db2.gz BPRDHUYQQIBIFB-DTWKUNHWSA-N -1 3 348.367 -1.091 20 0 EAADHM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1CNCc1nncn1C ZINC001048302228 673993873 /nfs/dbraw/zinc/99/38/73/673993873.db2.gz BPRDHUYQQIBIFB-IUCAKERBSA-N -1 3 348.367 -1.091 20 0 EAADHM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNCc1nncn1C ZINC001048302231 673994017 /nfs/dbraw/zinc/99/40/17/673994017.db2.gz BPRDHUYQQIBIFB-RKDXNWHRSA-N -1 3 348.367 -1.091 20 0 EAADHM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1CNCc1cn(C)nn1 ZINC001048303559 673993983 /nfs/dbraw/zinc/99/39/83/673993983.db2.gz JJBXZFNWYBTOEN-BDAKNGLRSA-N -1 3 348.367 -1.091 20 0 EAADHM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1CNCc1cn(C)nn1 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/nfs/dbraw/zinc/03/16/68/674031668.db2.gz PZOZZRHGUKIOFE-AOOOYVTPSA-N -1 3 332.368 -1.559 20 0 EAADHM Cc1nnc(CC(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)o1 ZINC001048803797 674031553 /nfs/dbraw/zinc/03/15/53/674031553.db2.gz MDJRANPTWPGFAC-PHIMTYICSA-N -1 3 347.379 -1.067 20 0 EAADHM Cn1cnc(C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)n1 ZINC001048804057 674031629 /nfs/dbraw/zinc/03/16/29/674031629.db2.gz XPWZEBARFAXNJU-AOOOYVTPSA-N -1 3 332.368 -1.559 20 0 EAADHM CCn1ncc(C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)n1 ZINC001048804814 674031750 /nfs/dbraw/zinc/03/17/50/674031750.db2.gz RDUCZIPGXUUVGE-PHIMTYICSA-N -1 3 346.395 -1.076 20 0 EAADHM CCn1nncc1C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001048805438 674031587 /nfs/dbraw/zinc/03/15/87/674031587.db2.gz OBFURIYLHRNAGM-PHIMTYICSA-N -1 3 346.395 -1.076 20 0 EAADHM Cc1nnc(CC(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)[nH]1 ZINC001048813294 674031944 /nfs/dbraw/zinc/03/19/44/674031944.db2.gz LLPNPKBYHKJSRF-PHIMTYICSA-N -1 3 346.395 -1.332 20 0 EAADHM Cn1ccc(CC(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)n1 ZINC001048817912 674032649 /nfs/dbraw/zinc/03/26/49/674032649.db2.gz ZTAYUMZPCIHESZ-TXEJJXNPSA-N -1 3 345.407 -1.025 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)Cn4ncnn4)C[C@@H]3C2)nc1=O ZINC001048821858 674032821 /nfs/dbraw/zinc/03/28/21/674032821.db2.gz GIAMPRYDYBTPFA-AOOOYVTPSA-N -1 3 333.356 -2.315 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)Cn4nccn4)C[C@@H]3C2)nc1=O ZINC001048841402 674035616 /nfs/dbraw/zinc/03/56/16/674035616.db2.gz BRYMVEYIMMREFT-PHIMTYICSA-N -1 3 332.368 -1.710 20 0 EAADHM CN1C[C@@H](C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)CC1=O ZINC001048848446 674036593 /nfs/dbraw/zinc/03/65/93/674036593.db2.gz PSNQIGGTTBMPTQ-SDDRHHMPSA-N -1 3 348.407 -1.523 20 0 EAADHM CN1C[C@H](C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)CC1=O ZINC001048848448 674036471 /nfs/dbraw/zinc/03/64/71/674036471.db2.gz PSNQIGGTTBMPTQ-UTUOFQBUSA-N -1 3 348.407 -1.523 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)C[C@@H]4CCNC4=O)C[C@@H]3C2)nc1=O ZINC001048862103 674038290 /nfs/dbraw/zinc/03/82/90/674038290.db2.gz OIOIVHRBUHIZAB-SDDRHHMPSA-N -1 3 348.407 -1.475 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)C[C@H]4CCNC4=O)C[C@@H]3C2)nc1=O ZINC001048862107 674038513 /nfs/dbraw/zinc/03/85/13/674038513.db2.gz OIOIVHRBUHIZAB-UTUOFQBUSA-N -1 3 348.407 -1.475 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@@H]3C2)nc1=O ZINC001048875070 674040936 /nfs/dbraw/zinc/04/09/36/674040936.db2.gz IBQAFYCPKLMKLJ-AOOOYVTPSA-N -1 3 336.396 -1.490 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)c4cn[nH]c(=O)c4)C[C@@H]3C2)nc1=O ZINC001048877781 674041884 /nfs/dbraw/zinc/04/18/84/674041884.db2.gz MTTISPGEPHSBJV-PHIMTYICSA-N -1 3 345.363 -1.192 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@@H]4CCCNC4=O)C[C@@H]3C2)nc1=O ZINC001048879162 674041647 /nfs/dbraw/zinc/04/16/47/674041647.db2.gz WCIGCLDKUGUFKZ-GRYCIOLGSA-N -1 3 348.407 -1.475 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4CCCNC4=O)C[C@@H]3C2)nc1=O ZINC001048879163 674041695 /nfs/dbraw/zinc/04/16/95/674041695.db2.gz WCIGCLDKUGUFKZ-TUAOUCFPSA-N -1 3 348.407 -1.475 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4CCCC(=O)N4)C[C@@H]3C2)nc1=O ZINC001048881379 674042369 /nfs/dbraw/zinc/04/23/69/674042369.db2.gz TYIJNOBRKGWELN-GRYCIOLGSA-N -1 3 348.407 -1.333 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)c4cnc[nH]c4=O)C[C@@H]3C2)nc1=O ZINC001048883722 674042143 /nfs/dbraw/zinc/04/21/43/674042143.db2.gz RTAHSAYRJWAUSM-AOOOYVTPSA-N -1 3 345.363 -1.192 20 0 EAADHM Cn1nnnc1CN1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001048883767 674042214 /nfs/dbraw/zinc/04/22/14/674042214.db2.gz UZXBZWIFHVNENC-AOOOYVTPSA-N -1 3 330.352 -1.090 20 0 EAADHM Cn1nnc(CN2C[C@@H]3CN(C(=O)c4cnc[n-]c4=O)C[C@@H]3C2)n1 ZINC001048884709 674042828 /nfs/dbraw/zinc/04/28/28/674042828.db2.gz ZJIGCOGGQOEJLO-AOOOYVTPSA-N -1 3 330.352 -1.090 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]3C2)nc1=O ZINC001048912821 674045019 /nfs/dbraw/zinc/04/50/19/674045019.db2.gz RJKIUNHZLSXQFS-SDDRHHMPSA-N -1 3 348.407 -1.475 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]3C2)nc1=O ZINC001048912823 674045150 /nfs/dbraw/zinc/04/51/50/674045150.db2.gz RJKIUNHZLSXQFS-UTUOFQBUSA-N -1 3 348.407 -1.475 20 0 EAADHM CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001048919281 674045447 /nfs/dbraw/zinc/04/54/47/674045447.db2.gz SBIHDQATXVECLK-HLTSFMKQSA-N -1 3 336.352 -1.579 20 0 EAADHM CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001048919282 674045380 /nfs/dbraw/zinc/04/53/80/674045380.db2.gz SBIHDQATXVECLK-XHNCKOQMSA-N -1 3 336.352 -1.579 20 0 EAADHM CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001048919349 674045503 /nfs/dbraw/zinc/04/55/03/674045503.db2.gz TYTNYBXGSGRFKW-HRDYMLBCSA-N -1 3 336.352 -1.450 20 0 EAADHM CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001048919353 674045442 /nfs/dbraw/zinc/04/54/42/674045442.db2.gz TYTNYBXGSGRFKW-YIZRAAEISA-N -1 3 336.352 -1.450 20 0 EAADHM CN(C)C(=O)CN1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001048919559 674045487 /nfs/dbraw/zinc/04/54/87/674045487.db2.gz ZEIYKKIPCLGXOQ-DTORHVGOSA-N -1 3 336.352 -1.625 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@@]4(C)CNC(=O)C4)C[C@@H]3C2)nc1=O ZINC001048955856 674047559 /nfs/dbraw/zinc/04/75/59/674047559.db2.gz NNBCSAOABFFHMC-OHUAYANFSA-N -1 3 348.407 -1.475 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@]4(C)CNC(=O)C4)C[C@@H]3C2)nc1=O ZINC001048955857 674047501 /nfs/dbraw/zinc/04/75/01/674047501.db2.gz NNBCSAOABFFHMC-USBNGQNGSA-N -1 3 348.407 -1.475 20 0 EAADHM Cc1n[nH]nc1C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001048975075 674051946 /nfs/dbraw/zinc/05/19/46/674051946.db2.gz IJUINJLZEKCZBJ-AOOOYVTPSA-N -1 3 332.368 -1.261 20 0 EAADHM CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]2C1 ZINC001048975628 674052061 /nfs/dbraw/zinc/05/20/61/674052061.db2.gz VBRPDJTVZOURQD-JFGNBEQYSA-N -1 3 349.391 -1.246 20 0 EAADHM CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]2C1 ZINC001048975629 674052019 /nfs/dbraw/zinc/05/20/19/674052019.db2.gz VBRPDJTVZOURQD-UMNHJUIQSA-N -1 3 349.391 -1.246 20 0 EAADHM CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]2C1 ZINC001048975631 674052002 /nfs/dbraw/zinc/05/20/02/674052002.db2.gz VHMANECDKLVPNU-GARJFASQSA-N -1 3 349.391 -1.376 20 0 EAADHM CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@@H]2C1 ZINC001048975632 674052055 /nfs/dbraw/zinc/05/20/55/674052055.db2.gz VHMANECDKLVPNU-MXWKQRLJSA-N -1 3 349.391 -1.376 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@H]3C2)nc1=O ZINC001048977635 674052415 /nfs/dbraw/zinc/05/24/15/674052415.db2.gz GVTHPQOJQKRXHW-AXFHLTTASA-N -1 3 334.380 -1.865 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@@H]4CCNC4=O)C[C@@H]3C2)nc1=O ZINC001048977636 674052525 /nfs/dbraw/zinc/05/25/25/674052525.db2.gz GVTHPQOJQKRXHW-OUAUKWLOSA-N -1 3 334.380 -1.865 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4CC[C@H]4C(N)=O)C[C@@H]3C2)nc1=O ZINC001048981505 674053844 /nfs/dbraw/zinc/05/38/44/674053844.db2.gz XJJWIDUELVBCIF-KXNHARMFSA-N -1 3 348.407 -1.490 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4CC[C@@H]4C(N)=O)C[C@@H]3C2)nc1=O ZINC001048981508 674054094 /nfs/dbraw/zinc/05/40/94/674054094.db2.gz XJJWIDUELVBCIF-USZNOCQGSA-N -1 3 348.407 -1.490 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[C@@H]4C(N)=O)C[C@@H]3C2)nc1=O ZINC001048981511 674053707 /nfs/dbraw/zinc/05/37/07/674053707.db2.gz XJJWIDUELVBCIF-WHOHXGKFSA-N -1 3 348.407 -1.490 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[C@H]4C(N)=O)C[C@@H]3C2)nc1=O ZINC001048981514 674053718 /nfs/dbraw/zinc/05/37/18/674053718.db2.gz XJJWIDUELVBCIF-WRWGMCAJSA-N -1 3 348.407 -1.490 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)c4c[nH]c(=O)n4C)C[C@@H]3C2)nc1=O ZINC001048982018 674054034 /nfs/dbraw/zinc/05/40/34/674054034.db2.gz NWRBJDHUTYEPMG-AOOOYVTPSA-N -1 3 347.379 -1.249 20 0 EAADHM CN1C[C@@H](C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)NC1=O ZINC001048983335 674053752 /nfs/dbraw/zinc/05/37/52/674053752.db2.gz ZLCOHUVSRDAUNK-AXFHLTTASA-N -1 3 349.395 -1.978 20 0 EAADHM CN1C[C@H](C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)NC1=O ZINC001048983336 674053957 /nfs/dbraw/zinc/05/39/57/674053957.db2.gz ZLCOHUVSRDAUNK-OUAUKWLOSA-N -1 3 349.395 -1.978 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)nc1=O ZINC001048987488 674054332 /nfs/dbraw/zinc/05/43/32/674054332.db2.gz WIOKXCNQOSUSPN-UZPTXHBLSA-N -1 3 333.392 -1.109 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@@H]4CCC(=O)N4C)C[C@@H]3C2)nc1=O ZINC001048989441 674054274 /nfs/dbraw/zinc/05/42/74/674054274.db2.gz JKOWHQZTCRFMHI-TUAOUCFPSA-N -1 3 348.407 -1.381 20 0 EAADHM Cn1nnc(C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)n1 ZINC001048990863 674055439 /nfs/dbraw/zinc/05/54/39/674055439.db2.gz AOMUGSVXRAVOQL-DTORHVGOSA-N -1 3 333.356 -2.164 20 0 EAADHM CN1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)C1=O ZINC001048992051 674055949 /nfs/dbraw/zinc/05/59/49/674055949.db2.gz AAOSQPRSLYXLLX-GRYCIOLGSA-N -1 3 348.407 -1.523 20 0 EAADHM CN1CC[C@H](C(=O)N2C[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)C1=O ZINC001048992052 674055992 /nfs/dbraw/zinc/05/59/92/674055992.db2.gz AAOSQPRSLYXLLX-TUAOUCFPSA-N -1 3 348.407 -1.523 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4CCC(=O)N4C)C[C@@H]3C2)nc1=O ZINC001049002666 674057026 /nfs/dbraw/zinc/05/70/26/674057026.db2.gz JKOWHQZTCRFMHI-GRYCIOLGSA-N -1 3 348.407 -1.381 20 0 EAADHM CC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnc[n-]c2=O)C1 ZINC001049010528 674056954 /nfs/dbraw/zinc/05/69/54/674056954.db2.gz AWZBWXDNVVRFFL-QWRGUYRKSA-N -1 3 337.336 -2.038 20 0 EAADHM CN(C(=O)c1cnc[n-]c1=O)[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1O ZINC001049010912 674057478 /nfs/dbraw/zinc/05/74/78/674057478.db2.gz JMYCKQIEUOKVGK-IUCAKERBSA-N -1 3 338.324 -2.506 20 0 EAADHM CNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cnc[n-]c2=O)C1 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/nfs/dbraw/zinc/80/53/53/672805353.db2.gz GPIPQCIZMFNDFD-VXGBXAGGSA-N -1 3 339.396 -1.006 20 0 EAADHM Cc1cc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)ncn1 ZINC001051556313 672805943 /nfs/dbraw/zinc/80/59/43/672805943.db2.gz UDKMCSPFLPBGLW-LLVKDONJSA-N -1 3 347.379 -1.162 20 0 EAADHM Cc1cc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)ncn1 ZINC001051556316 672806285 /nfs/dbraw/zinc/80/62/85/672806285.db2.gz UDKMCSPFLPBGLW-NSHDSACASA-N -1 3 347.379 -1.162 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)C3=CCOCC3)CCO2)nc1=O ZINC001051566705 672808059 /nfs/dbraw/zinc/80/80/59/672808059.db2.gz QORVIPQXUMSIOG-GFCCVEGCSA-N -1 3 337.380 -1.228 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)C3=CCOCC3)CCO2)nc1=O ZINC001051566706 672808331 /nfs/dbraw/zinc/80/83/31/672808331.db2.gz QORVIPQXUMSIOG-LBPRGKRZSA-N -1 3 337.380 -1.228 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)c3cncnc3)CCO2)nc1=O ZINC001051567350 672808295 /nfs/dbraw/zinc/80/82/95/672808295.db2.gz XJKCXMCUBBHXLS-LLVKDONJSA-N -1 3 333.352 -1.471 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)c3cncnc3)CCO2)nc1=O ZINC001051567354 672808353 /nfs/dbraw/zinc/80/83/53/672808353.db2.gz XJKCXMCUBBHXLS-NSHDSACASA-N -1 3 333.352 -1.471 20 0 EAADHM CCn1nccc1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051568328 672808120 /nfs/dbraw/zinc/80/81/20/672808120.db2.gz SGSYTLWHGKPQKT-LLVKDONJSA-N -1 3 349.395 -1.044 20 0 EAADHM CCn1nccc1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051568329 672808378 /nfs/dbraw/zinc/80/83/78/672808378.db2.gz SGSYTLWHGKPQKT-NSHDSACASA-N -1 3 349.395 -1.044 20 0 EAADHM Cc1cc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)cnn1 ZINC001051573838 672808769 /nfs/dbraw/zinc/80/87/69/672808769.db2.gz UZBHMPHYOUHRCJ-GFCCVEGCSA-N -1 3 347.379 -1.162 20 0 EAADHM Cc1cc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)cnn1 ZINC001051573840 672808676 /nfs/dbraw/zinc/80/86/76/672808676.db2.gz UZBHMPHYOUHRCJ-LBPRGKRZSA-N -1 3 347.379 -1.162 20 0 EAADHM Cn1nccc1CC(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051575789 672808578 /nfs/dbraw/zinc/80/85/78/672808578.db2.gz DVDLOOBLNPWRJK-GFCCVEGCSA-N -1 3 349.395 -1.598 20 0 EAADHM Cn1nccc1CC(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051575792 672808820 /nfs/dbraw/zinc/80/88/20/672808820.db2.gz DVDLOOBLNPWRJK-LBPRGKRZSA-N -1 3 349.395 -1.598 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)Cc3cncnc3)CCO2)nc1=O ZINC001051576613 672809470 /nfs/dbraw/zinc/80/94/70/672809470.db2.gz OHWWLVCFEGUCGU-GFCCVEGCSA-N -1 3 347.379 -1.542 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)Cc3cncnc3)CCO2)nc1=O ZINC001051576621 672809572 /nfs/dbraw/zinc/80/95/72/672809572.db2.gz OHWWLVCFEGUCGU-LBPRGKRZSA-N -1 3 347.379 -1.542 20 0 EAADHM CCn1ccnc1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051578876 672809536 /nfs/dbraw/zinc/80/95/36/672809536.db2.gz PSCHANTYDBYNIY-LLVKDONJSA-N -1 3 349.395 -1.044 20 0 EAADHM CCn1ccnc1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051578879 672809198 /nfs/dbraw/zinc/80/91/98/672809198.db2.gz PSCHANTYDBYNIY-NSHDSACASA-N -1 3 349.395 -1.044 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)CCc3ncc[nH]3)CCO2)nc1=O ZINC001051579156 672810155 /nfs/dbraw/zinc/81/01/55/672810155.db2.gz QQGIYHIRYIHMQI-LLVKDONJSA-N -1 3 349.395 -1.219 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)CCc3ncc[nH]3)CCO2)nc1=O ZINC001051579157 672810108 /nfs/dbraw/zinc/81/01/08/672810108.db2.gz QQGIYHIRYIHMQI-NSHDSACASA-N -1 3 349.395 -1.219 20 0 EAADHM Cc1ccnc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051581735 672809952 /nfs/dbraw/zinc/80/99/52/672809952.db2.gz MMVYUMNUGKBWCR-LLVKDONJSA-N -1 3 347.379 -1.162 20 0 EAADHM Cc1ccnc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051581736 672809781 /nfs/dbraw/zinc/80/97/81/672809781.db2.gz MMVYUMNUGKBWCR-NSHDSACASA-N -1 3 347.379 -1.162 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)CC(C)(C)O)CCO2)nc1=O ZINC001051582091 672810039 /nfs/dbraw/zinc/81/00/39/672810039.db2.gz VZZGUCNMGJNHTB-JTQLQIEISA-N -1 3 327.385 -1.414 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)CC(C)(C)O)CCO2)nc1=O ZINC001051582092 672809814 /nfs/dbraw/zinc/80/98/14/672809814.db2.gz VZZGUCNMGJNHTB-SNVBAGLBSA-N -1 3 327.385 -1.414 20 0 EAADHM CO[C@H](C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC001051583004 672810328 /nfs/dbraw/zinc/81/03/28/672810328.db2.gz FEDVOTSOKLBUTA-AAEUAGOBSA-N -1 3 339.396 -1.150 20 0 EAADHM CO[C@@H](C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC001051583005 672809963 /nfs/dbraw/zinc/80/99/63/672809963.db2.gz FEDVOTSOKLBUTA-DGCLKSJQSA-N -1 3 339.396 -1.150 20 0 EAADHM CO[C@@H](C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC001051583006 672809987 /nfs/dbraw/zinc/80/99/87/672809987.db2.gz FEDVOTSOKLBUTA-WCQYABFASA-N -1 3 339.396 -1.150 20 0 EAADHM CO[C@H](C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1)C1CC1 ZINC001051583007 672809747 /nfs/dbraw/zinc/80/97/47/672809747.db2.gz FEDVOTSOKLBUTA-YPMHNXCESA-N -1 3 339.396 -1.150 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)nc1=O ZINC001051585509 672810338 /nfs/dbraw/zinc/81/03/38/672810338.db2.gz YGDDSXPJERRISR-BDAKNGLRSA-N -1 3 340.340 -2.466 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)nc1=O ZINC001051585510 672810289 /nfs/dbraw/zinc/81/02/89/672810289.db2.gz YGDDSXPJERRISR-DTWKUNHWSA-N -1 3 340.340 -2.466 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@@H]3COC(=O)N3)CCO2)nc1=O ZINC001051585511 672809829 /nfs/dbraw/zinc/80/98/29/672809829.db2.gz YGDDSXPJERRISR-IUCAKERBSA-N -1 3 340.340 -2.466 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)CCO2)nc1=O ZINC001051585512 672810311 /nfs/dbraw/zinc/81/03/11/672810311.db2.gz YGDDSXPJERRISR-RKDXNWHRSA-N -1 3 340.340 -2.466 20 0 EAADHM Cn1nncc1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051587782 672810835 /nfs/dbraw/zinc/81/08/35/672810835.db2.gz LEWNAUYSHWEGLD-SECBINFHSA-N -1 3 336.356 -2.132 20 0 EAADHM Cn1nncc1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051587783 672810578 /nfs/dbraw/zinc/81/05/78/672810578.db2.gz LEWNAUYSHWEGLD-VIFPVBQESA-N -1 3 336.356 -2.132 20 0 EAADHM CC(C)[C@@H](O)C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051591461 672810456 /nfs/dbraw/zinc/81/04/56/672810456.db2.gz BWXAANPVVHMZEK-CMPLNLGQSA-N -1 3 327.385 -1.558 20 0 EAADHM CC(C)[C@@H](O)C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051591462 672810787 /nfs/dbraw/zinc/81/07/87/672810787.db2.gz BWXAANPVVHMZEK-ZYHUDNBSSA-N -1 3 327.385 -1.558 20 0 EAADHM Cn1cc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)nn1 ZINC001051594221 672811286 /nfs/dbraw/zinc/81/12/86/672811286.db2.gz HFEQDJMXPJRNPE-SECBINFHSA-N -1 3 336.356 -2.132 20 0 EAADHM Cn1cc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)nn1 ZINC001051594222 672811134 /nfs/dbraw/zinc/81/11/34/672811134.db2.gz HFEQDJMXPJRNPE-VIFPVBQESA-N -1 3 336.356 -2.132 20 0 EAADHM Cn1cnc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051596047 672811386 /nfs/dbraw/zinc/81/13/86/672811386.db2.gz JHHFLSJVFJZPQX-SECBINFHSA-N -1 3 336.356 -2.132 20 0 EAADHM Cn1cnc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051596048 672811299 /nfs/dbraw/zinc/81/12/99/672811299.db2.gz JHHFLSJVFJZPQX-VIFPVBQESA-N -1 3 336.356 -2.132 20 0 EAADHM Cc1c[nH]nc1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051606364 672811945 /nfs/dbraw/zinc/81/19/45/672811945.db2.gz MRBRMZUUGHGSNS-JTQLQIEISA-N -1 3 335.368 -1.229 20 0 EAADHM Cc1c[nH]nc1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051606365 672811759 /nfs/dbraw/zinc/81/17/59/672811759.db2.gz MRBRMZUUGHGSNS-SNVBAGLBSA-N -1 3 335.368 -1.229 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)CC3(O)CCC3)CCO2)nc1=O ZINC001051609166 672812479 /nfs/dbraw/zinc/81/24/79/672812479.db2.gz PLHMRLLJORTFEA-LLVKDONJSA-N -1 3 339.396 -1.270 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)CC3(O)CCC3)CCO2)nc1=O ZINC001051609167 672812297 /nfs/dbraw/zinc/81/22/97/672812297.db2.gz PLHMRLLJORTFEA-NSHDSACASA-N -1 3 339.396 -1.270 20 0 EAADHM Cc1cn(C)nc1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051611048 672812453 /nfs/dbraw/zinc/81/24/53/672812453.db2.gz HUVHJGPQSHMVIM-LLVKDONJSA-N -1 3 349.395 -1.219 20 0 EAADHM Cc1cn(C)nc1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051611049 672812333 /nfs/dbraw/zinc/81/23/33/672812333.db2.gz HUVHJGPQSHMVIM-NSHDSACASA-N -1 3 349.395 -1.219 20 0 EAADHM Cc1ccc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)nn1 ZINC001051613420 672812540 /nfs/dbraw/zinc/81/25/40/672812540.db2.gz ZGWYXDDIKKECDY-LLVKDONJSA-N -1 3 347.379 -1.162 20 0 EAADHM Cc1ccc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)nn1 ZINC001051613421 672812314 /nfs/dbraw/zinc/81/23/14/672812314.db2.gz ZGWYXDDIKKECDY-NSHDSACASA-N -1 3 347.379 -1.162 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)Cn3ncnn3)CCO2)nc1=O ZINC001051614401 672812966 /nfs/dbraw/zinc/81/29/66/672812966.db2.gz JUNHONPDHIFJPG-SECBINFHSA-N -1 3 337.344 -2.888 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)Cn3ncnn3)CCO2)nc1=O ZINC001051614403 672812955 /nfs/dbraw/zinc/81/29/55/672812955.db2.gz JUNHONPDHIFJPG-VIFPVBQESA-N -1 3 337.344 -2.888 20 0 EAADHM Cn1ccc(CC(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051615411 672813583 /nfs/dbraw/zinc/81/35/83/672813583.db2.gz UIWWRBAOQIIJAL-GFCCVEGCSA-N -1 3 349.395 -1.598 20 0 EAADHM Cn1ccc(CC(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051615412 672813576 /nfs/dbraw/zinc/81/35/76/672813576.db2.gz UIWWRBAOQIIJAL-LBPRGKRZSA-N -1 3 349.395 -1.598 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCO2)nc1=O ZINC001051627290 672814298 /nfs/dbraw/zinc/81/42/98/672814298.db2.gz BMRTUMHRSKHLHL-PGUXBMHVSA-N -1 3 337.380 -1.538 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCO2)nc1=O ZINC001051627291 672814319 /nfs/dbraw/zinc/81/43/19/672814319.db2.gz BMRTUMHRSKHLHL-RWSFTLGLSA-N -1 3 337.380 -1.538 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)Cn3nccn3)CCO2)nc1=O ZINC001051641188 672817133 /nfs/dbraw/zinc/81/71/33/672817133.db2.gz QWPAQYVNMOHWIN-JTQLQIEISA-N -1 3 336.356 -2.283 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)Cn3nccn3)CCO2)nc1=O ZINC001051641189 672817029 /nfs/dbraw/zinc/81/70/29/672817029.db2.gz QWPAQYVNMOHWIN-SNVBAGLBSA-N -1 3 336.356 -2.283 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)CCc3c[nH]cn3)CCO2)nc1=O ZINC001051648962 672818634 /nfs/dbraw/zinc/81/86/34/672818634.db2.gz ZLBHTVFVNFYDEA-GFCCVEGCSA-N -1 3 349.395 -1.219 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)CCc3c[nH]cn3)CCO2)nc1=O ZINC001051648963 672818667 /nfs/dbraw/zinc/81/86/67/672818667.db2.gz ZLBHTVFVNFYDEA-LBPRGKRZSA-N -1 3 349.395 -1.219 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)C(C)(C)C(N)=O)CCO2)nc1=O ZINC001051663244 672821157 /nfs/dbraw/zinc/82/11/57/672821157.db2.gz CBSWVDSOEBZZBA-SECBINFHSA-N -1 3 340.384 -2.063 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)C(C)(C)C(N)=O)CCO2)nc1=O ZINC001051663246 672821566 /nfs/dbraw/zinc/82/15/66/672821566.db2.gz CBSWVDSOEBZZBA-VIFPVBQESA-N -1 3 340.384 -2.063 20 0 EAADHM Cc1ncn(C)c1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051667922 672822508 /nfs/dbraw/zinc/82/25/08/672822508.db2.gz ZGMFCUNPMFQHGL-LLVKDONJSA-N -1 3 349.395 -1.219 20 0 EAADHM Cc1ncn(C)c1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051667923 672822346 /nfs/dbraw/zinc/82/23/46/672822346.db2.gz ZGMFCUNPMFQHGL-NSHDSACASA-N -1 3 349.395 -1.219 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)c3cn[nH]c(=O)c3)CCO2)nc1=O ZINC001051669544 672822455 /nfs/dbraw/zinc/82/24/55/672822455.db2.gz NGAGAQMHACGGHI-JTQLQIEISA-N -1 3 349.351 -1.765 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)c3cn[nH]c(=O)c3)CCO2)nc1=O ZINC001051669545 672822545 /nfs/dbraw/zinc/82/25/45/672822545.db2.gz NGAGAQMHACGGHI-SNVBAGLBSA-N -1 3 349.351 -1.765 20 0 EAADHM Cn1nnnc1CNC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001051673583 672823207 /nfs/dbraw/zinc/82/32/07/672823207.db2.gz UGRRZPJUJUSUCV-SECBINFHSA-N -1 3 334.340 -1.664 20 0 EAADHM Cn1nnnc1CNC[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001051673584 672822792 /nfs/dbraw/zinc/82/27/92/672822792.db2.gz UGRRZPJUJUSUCV-VIFPVBQESA-N -1 3 334.340 -1.664 20 0 EAADHM COC1CC(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)C1 ZINC001051673609 672823073 /nfs/dbraw/zinc/82/30/73/672823073.db2.gz VDOSQKLBEGKMMB-HTAVTVPLSA-N -1 3 339.396 -1.150 20 0 EAADHM COC1CC(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)C1 ZINC001051673610 672823000 /nfs/dbraw/zinc/82/30/00/672823000.db2.gz VDOSQKLBEGKMMB-MCIGGMRASA-N -1 3 339.396 -1.150 20 0 EAADHM C[C@@H](NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1)c1nnnn1C ZINC001051673998 672823314 /nfs/dbraw/zinc/82/33/14/672823314.db2.gz DMGVBCAAYNHXBE-NXEZZACHSA-N -1 3 348.367 -1.103 20 0 EAADHM C[C@H](NC[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1)c1nnnn1C ZINC001051673999 672823381 /nfs/dbraw/zinc/82/33/81/672823381.db2.gz DMGVBCAAYNHXBE-UWVGGRQHSA-N -1 3 348.367 -1.103 20 0 EAADHM C[C@H](NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1)c1nnnn1C ZINC001051674000 672823135 /nfs/dbraw/zinc/82/31/35/672823135.db2.gz DMGVBCAAYNHXBE-VHSXEESVSA-N -1 3 348.367 -1.103 20 0 EAADHM C[C@@H](NC[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1)c1nnnn1C ZINC001051674001 672823224 /nfs/dbraw/zinc/82/32/24/672823224.db2.gz DMGVBCAAYNHXBE-ZJUUUORDSA-N -1 3 348.367 -1.103 20 0 EAADHM Cn1cnnc1CNC[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001051674062 672823036 /nfs/dbraw/zinc/82/30/36/672823036.db2.gz FULDDGJHUCRVQS-JTQLQIEISA-N -1 3 333.352 -1.059 20 0 EAADHM Cn1cnnc1CNC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001051674063 672822770 /nfs/dbraw/zinc/82/27/70/672822770.db2.gz FULDDGJHUCRVQS-SNVBAGLBSA-N -1 3 333.352 -1.059 20 0 EAADHM Cn1ncnc1CNC[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001051674656 672823343 /nfs/dbraw/zinc/82/33/43/672823343.db2.gz OALGMNUNJOYVCE-JTQLQIEISA-N -1 3 333.352 -1.059 20 0 EAADHM Cn1ncnc1CNC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001051674657 672822910 /nfs/dbraw/zinc/82/29/10/672822910.db2.gz OALGMNUNJOYVCE-SNVBAGLBSA-N -1 3 333.352 -1.059 20 0 EAADHM Cn1nnc(CNC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)CCO2)n1 ZINC001051674774 672823612 /nfs/dbraw/zinc/82/36/12/672823612.db2.gz OUNWXZKAKNHRAK-SECBINFHSA-N -1 3 334.340 -1.664 20 0 EAADHM Cn1nnc(CNC[C@H]2CN(C(=O)c3cnc[n-]c3=O)CCO2)n1 ZINC001051674775 672823485 /nfs/dbraw/zinc/82/34/85/672823485.db2.gz OUNWXZKAKNHRAK-VIFPVBQESA-N -1 3 334.340 -1.664 20 0 EAADHM Cn1cc(CNC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)CCO2)nn1 ZINC001051674832 672823824 /nfs/dbraw/zinc/82/38/24/672823824.db2.gz QLIHNKHBUZDIFB-LLVKDONJSA-N -1 3 333.352 -1.059 20 0 EAADHM Cn1cc(CNC[C@H]2CN(C(=O)c3cnc[n-]c3=O)CCO2)nn1 ZINC001051674833 672823809 /nfs/dbraw/zinc/82/38/09/672823809.db2.gz QLIHNKHBUZDIFB-NSHDSACASA-N -1 3 333.352 -1.059 20 0 EAADHM Cn1ncc(CNC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)CCO2)n1 ZINC001051675229 672823632 /nfs/dbraw/zinc/82/36/32/672823632.db2.gz XIEJLFKNJPPFKH-LLVKDONJSA-N -1 3 333.352 -1.059 20 0 EAADHM Cn1ncc(CNC[C@H]2CN(C(=O)c3cnc[n-]c3=O)CCO2)n1 ZINC001051675230 672823867 /nfs/dbraw/zinc/82/38/67/672823867.db2.gz XIEJLFKNJPPFKH-NSHDSACASA-N -1 3 333.352 -1.059 20 0 EAADHM Cn1nccc1CNC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001051699081 672827163 /nfs/dbraw/zinc/82/71/63/672827163.db2.gz MPOOYENEXQBDQF-JTQLQIEISA-N -1 3 349.351 -1.353 20 0 EAADHM Cn1nccc1CNC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001051699082 672827210 /nfs/dbraw/zinc/82/72/10/672827210.db2.gz MPOOYENEXQBDQF-SNVBAGLBSA-N -1 3 349.351 -1.353 20 0 EAADHM Cn1cncc1CNC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001051699107 672826962 /nfs/dbraw/zinc/82/69/62/672826962.db2.gz NMPOQLSBXDIGAO-JTQLQIEISA-N -1 3 349.351 -1.353 20 0 EAADHM Cn1cncc1CNC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)CCO1 ZINC001051699108 672826980 /nfs/dbraw/zinc/82/69/80/672826980.db2.gz NMPOQLSBXDIGAO-SNVBAGLBSA-N -1 3 349.351 -1.353 20 0 EAADHM Cn1cc(CNC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CCO2)cn1 ZINC001051699399 672827151 /nfs/dbraw/zinc/82/71/51/672827151.db2.gz PNDGRHIEWYZFQB-JTQLQIEISA-N -1 3 349.351 -1.353 20 0 EAADHM Cn1cc(CNC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CCO2)cn1 ZINC001051699400 672826941 /nfs/dbraw/zinc/82/69/41/672826941.db2.gz PNDGRHIEWYZFQB-SNVBAGLBSA-N -1 3 349.351 -1.353 20 0 EAADHM Cc1nnccc1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051700035 672826932 /nfs/dbraw/zinc/82/69/32/672826932.db2.gz WABXJRHYAIBNGV-LLVKDONJSA-N -1 3 347.379 -1.162 20 0 EAADHM Cc1nnccc1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051700036 672826904 /nfs/dbraw/zinc/82/69/04/672826904.db2.gz WABXJRHYAIBNGV-NSHDSACASA-N -1 3 347.379 -1.162 20 0 EAADHM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051700045 672827135 /nfs/dbraw/zinc/82/71/35/672827135.db2.gz WJAZLLNYPUVLIL-HTQZYQBOSA-N -1 3 338.324 -2.398 20 0 EAADHM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051700046 672827028 /nfs/dbraw/zinc/82/70/28/672827028.db2.gz WJAZLLNYPUVLIL-JGVFFNPUSA-N -1 3 338.324 -2.398 20 0 EAADHM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051700047 672827124 /nfs/dbraw/zinc/82/71/24/672827124.db2.gz WJAZLLNYPUVLIL-SFYZADRCSA-N -1 3 338.324 -2.398 20 0 EAADHM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051700048 672827141 /nfs/dbraw/zinc/82/71/41/672827141.db2.gz WJAZLLNYPUVLIL-YUMQZZPRSA-N -1 3 338.324 -2.398 20 0 EAADHM Cn1cncc1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051702790 672827463 /nfs/dbraw/zinc/82/74/63/672827463.db2.gz HZJHCMVQKLYPOC-JTQLQIEISA-N -1 3 335.368 -1.527 20 0 EAADHM Cn1cncc1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051702791 672827439 /nfs/dbraw/zinc/82/74/39/672827439.db2.gz HZJHCMVQKLYPOC-SNVBAGLBSA-N -1 3 335.368 -1.527 20 0 EAADHM Cc1cncn1CC(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051715003 672829679 /nfs/dbraw/zinc/82/96/79/672829679.db2.gz JWLSRQHSTUWHPL-GFCCVEGCSA-N -1 3 349.395 -1.369 20 0 EAADHM Cc1cncn1CC(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051715005 672829491 /nfs/dbraw/zinc/82/94/91/672829491.db2.gz JWLSRQHSTUWHPL-LBPRGKRZSA-N -1 3 349.395 -1.369 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)c3csnn3)CCO2)nc1=O ZINC001051740612 672832922 /nfs/dbraw/zinc/83/29/22/672832922.db2.gz ODOWGNNVNUWFDJ-MRVPVSSYSA-N -1 3 339.381 -1.409 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)c3csnn3)CCO2)nc1=O ZINC001051740613 672833135 /nfs/dbraw/zinc/83/31/35/672833135.db2.gz ODOWGNNVNUWFDJ-QMMMGPOBSA-N -1 3 339.381 -1.409 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)CCn3ccnc3)CCO2)nc1=O ZINC001051745902 672833470 /nfs/dbraw/zinc/83/34/70/672833470.db2.gz XIQHDCZFZLPORG-GFCCVEGCSA-N -1 3 349.395 -1.288 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)CCn3ccnc3)CCO2)nc1=O ZINC001051745903 672833451 /nfs/dbraw/zinc/83/34/51/672833451.db2.gz XIQHDCZFZLPORG-LBPRGKRZSA-N -1 3 349.395 -1.288 20 0 EAADHM Cc1n[nH]cc1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051747273 672833408 /nfs/dbraw/zinc/83/34/08/672833408.db2.gz LQLMIJBOYIUUFG-JTQLQIEISA-N -1 3 335.368 -1.229 20 0 EAADHM Cc1n[nH]cc1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051747274 672833614 /nfs/dbraw/zinc/83/36/14/672833614.db2.gz LQLMIJBOYIUUFG-SNVBAGLBSA-N -1 3 335.368 -1.229 20 0 EAADHM Cc1n[nH]nc1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051750463 672834102 /nfs/dbraw/zinc/83/41/02/672834102.db2.gz NJOINOBKXYARCO-SECBINFHSA-N -1 3 336.356 -1.834 20 0 EAADHM Cc1n[nH]nc1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051750467 672834492 /nfs/dbraw/zinc/83/44/92/672834492.db2.gz NJOINOBKXYARCO-VIFPVBQESA-N -1 3 336.356 -1.834 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)nc1=O ZINC001051752602 672835053 /nfs/dbraw/zinc/83/50/53/672835053.db2.gz MQOLTZDBTFOZNK-NXEZZACHSA-N -1 3 338.368 -2.439 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)nc1=O ZINC001051752603 672834919 /nfs/dbraw/zinc/83/49/19/672834919.db2.gz MQOLTZDBTFOZNK-UWVGGRQHSA-N -1 3 338.368 -2.439 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@@H]3CCNC3=O)CCO2)nc1=O ZINC001051752604 672835007 /nfs/dbraw/zinc/83/50/07/672835007.db2.gz MQOLTZDBTFOZNK-VHSXEESVSA-N -1 3 338.368 -2.439 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@H]3CCNC3=O)CCO2)nc1=O ZINC001051752605 672835036 /nfs/dbraw/zinc/83/50/36/672835036.db2.gz MQOLTZDBTFOZNK-ZJUUUORDSA-N -1 3 338.368 -2.439 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CCO2)nc1=O ZINC001051762293 672837242 /nfs/dbraw/zinc/83/72/42/672837242.db2.gz FEZWJPDQYKYBNT-DCQANWLSSA-N -1 3 337.380 -1.682 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)CCO2)nc1=O ZINC001051762294 672837197 /nfs/dbraw/zinc/83/71/97/672837197.db2.gz FEZWJPDQYKYBNT-MEWQQHAOSA-N -1 3 337.380 -1.682 20 0 EAADHM Cn1nnc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051774457 672839141 /nfs/dbraw/zinc/83/91/41/672839141.db2.gz XWQIARFIXBZPCO-MRVPVSSYSA-N -1 3 337.344 -2.737 20 0 EAADHM Cn1nnc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051774459 672839374 /nfs/dbraw/zinc/83/93/74/672839374.db2.gz XWQIARFIXBZPCO-QMMMGPOBSA-N -1 3 337.344 -2.737 20 0 EAADHM Cc1cnn(C)c1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051776308 672839050 /nfs/dbraw/zinc/83/90/50/672839050.db2.gz CQBYKHIJQKPAFF-LLVKDONJSA-N -1 3 349.395 -1.219 20 0 EAADHM Cc1cnn(C)c1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051776310 672839202 /nfs/dbraw/zinc/83/92/02/672839202.db2.gz CQBYKHIJQKPAFF-NSHDSACASA-N -1 3 349.395 -1.219 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCO[C@@H](CNCc2nnnn2C)C1 ZINC001051777872 672839283 /nfs/dbraw/zinc/83/92/83/672839283.db2.gz DOCCKJPREGYIDP-JTQLQIEISA-N -1 3 348.367 -1.355 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCO[C@H](CNCc2nnnn2C)C1 ZINC001051777873 672839161 /nfs/dbraw/zinc/83/91/61/672839161.db2.gz DOCCKJPREGYIDP-SNVBAGLBSA-N -1 3 348.367 -1.355 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)Cc3cnoc3)CCO2)nc1=O ZINC001051783534 672840087 /nfs/dbraw/zinc/84/00/87/672840087.db2.gz ISKUSXJJECELMI-LLVKDONJSA-N -1 3 336.352 -1.344 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)Cc3cnoc3)CCO2)nc1=O ZINC001051783535 672840119 /nfs/dbraw/zinc/84/01/19/672840119.db2.gz ISKUSXJJECELMI-NSHDSACASA-N -1 3 336.352 -1.344 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCO[C@@H](CNCc2nnn(C)n2)C1 ZINC001051784033 672840652 /nfs/dbraw/zinc/84/06/52/672840652.db2.gz OPCLFCOXFGGDRG-JTQLQIEISA-N -1 3 348.367 -1.355 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N1CCO[C@H](CNCc2nnn(C)n2)C1 ZINC001051784035 672840812 /nfs/dbraw/zinc/84/08/12/672840812.db2.gz OPCLFCOXFGGDRG-SNVBAGLBSA-N -1 3 348.367 -1.355 20 0 EAADHM Cc1ncc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)n1C ZINC001051787053 672840506 /nfs/dbraw/zinc/84/05/06/672840506.db2.gz KGHGRDVJBGDSAW-LLVKDONJSA-N -1 3 349.395 -1.219 20 0 EAADHM Cc1ncc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)n1C ZINC001051787054 672840629 /nfs/dbraw/zinc/84/06/29/672840629.db2.gz KGHGRDVJBGDSAW-NSHDSACASA-N -1 3 349.395 -1.219 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@]3(F)CCOC3)CCO2)nc1=O ZINC001051787393 672840767 /nfs/dbraw/zinc/84/07/67/672840767.db2.gz SWMIZRCUQNXGGK-HZMBPMFUSA-N -1 3 343.359 -1.446 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@@]3(F)CCOC3)CCO2)nc1=O ZINC001051787394 672840834 /nfs/dbraw/zinc/84/08/34/672840834.db2.gz SWMIZRCUQNXGGK-IINYFYTJSA-N -1 3 343.359 -1.446 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@@]3(F)CCOC3)CCO2)nc1=O ZINC001051787395 672840544 /nfs/dbraw/zinc/84/05/44/672840544.db2.gz SWMIZRCUQNXGGK-QMTHXVAHSA-N -1 3 343.359 -1.446 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@]3(F)CCOC3)CCO2)nc1=O ZINC001051787396 672840615 /nfs/dbraw/zinc/84/06/15/672840615.db2.gz SWMIZRCUQNXGGK-YGRLFVJLSA-N -1 3 343.359 -1.446 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)nc1=O ZINC001051788371 672841110 /nfs/dbraw/zinc/84/11/10/672841110.db2.gz GJKGGFUSFUXSCS-SECBINFHSA-N -1 3 349.351 -2.178 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CCO2)nc1=O ZINC001051788373 672841092 /nfs/dbraw/zinc/84/10/92/672841092.db2.gz GJKGGFUSFUXSCS-VIFPVBQESA-N -1 3 349.351 -2.178 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)nc1=O ZINC001051792255 672842021 /nfs/dbraw/zinc/84/20/21/672842021.db2.gz JVUIVHRQCHMTSR-BDAKNGLRSA-N -1 3 339.356 -2.893 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)nc1=O ZINC001051792256 672841747 /nfs/dbraw/zinc/84/17/47/672841747.db2.gz JVUIVHRQCHMTSR-DTWKUNHWSA-N -1 3 339.356 -2.893 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@@H]3CNC(=O)N3)CCO2)nc1=O ZINC001051792258 672841916 /nfs/dbraw/zinc/84/19/16/672841916.db2.gz JVUIVHRQCHMTSR-IUCAKERBSA-N -1 3 339.356 -2.893 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)CCO2)nc1=O ZINC001051792260 672842116 /nfs/dbraw/zinc/84/21/16/672842116.db2.gz JVUIVHRQCHMTSR-RKDXNWHRSA-N -1 3 339.356 -2.893 20 0 EAADHM NC(=O)C(=O)N1CCO[C@@H](CNCc2cc(=O)n3[n-]ccc3n2)C1 ZINC001051793829 672842817 /nfs/dbraw/zinc/84/28/17/672842817.db2.gz DDWNXFPTNACMHL-JTQLQIEISA-N -1 3 334.336 -2.175 20 0 EAADHM NC(=O)C(=O)N1CCO[C@H](CNCc2cc(=O)n3[n-]ccc3n2)C1 ZINC001051793832 672842844 /nfs/dbraw/zinc/84/28/44/672842844.db2.gz DDWNXFPTNACMHL-SNVBAGLBSA-N -1 3 334.336 -2.175 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)nc1=O ZINC001051800060 672844245 /nfs/dbraw/zinc/84/42/45/672844245.db2.gz ZGYWAGIWADEMLM-SECBINFHSA-N -1 3 338.368 -2.309 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)C3(C(N)=O)CC3)CCO2)nc1=O ZINC001051800063 672844219 /nfs/dbraw/zinc/84/42/19/672844219.db2.gz ZGYWAGIWADEMLM-VIFPVBQESA-N -1 3 338.368 -2.309 20 0 EAADHM COC(=O)c1nccc(N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC001051805269 672844700 /nfs/dbraw/zinc/84/47/00/672844700.db2.gz FMAMXRGCBLLMIK-PSASIEDQSA-N -1 3 347.335 -1.249 20 0 EAADHM COC(=O)c1nccc(N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC001051805270 672844550 /nfs/dbraw/zinc/84/45/50/672844550.db2.gz FMAMXRGCBLLMIK-SCZZXKLOSA-N -1 3 347.335 -1.249 20 0 EAADHM COC(=O)c1nccc(N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC001051805272 672844709 /nfs/dbraw/zinc/84/47/09/672844709.db2.gz FMAMXRGCBLLMIK-WCBMZHEXSA-N -1 3 347.335 -1.249 20 0 EAADHM COC(=O)c1nccc(N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)n1 ZINC001051805274 672844465 /nfs/dbraw/zinc/84/44/65/672844465.db2.gz FMAMXRGCBLLMIK-WPRPVWTQSA-N -1 3 347.335 -1.249 20 0 EAADHM Cn1nnc2c1ncnc2N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001051805426 672844900 /nfs/dbraw/zinc/84/49/00/672844900.db2.gz FPKZSOFJNUPHDT-APPZFPTMSA-N -1 3 344.339 -1.754 20 0 EAADHM Cn1nnc2c1ncnc2N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001051805428 672844639 /nfs/dbraw/zinc/84/46/39/672844639.db2.gz FPKZSOFJNUPHDT-CBAPKCEASA-N -1 3 344.339 -1.754 20 0 EAADHM Cn1nnc2c1ncnc2N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC001051805430 672844521 /nfs/dbraw/zinc/84/45/21/672844521.db2.gz FPKZSOFJNUPHDT-IONNQARKSA-N -1 3 344.339 -1.754 20 0 EAADHM Cn1nnc2c1ncnc2N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC001051805433 672844717 /nfs/dbraw/zinc/84/47/17/672844717.db2.gz FPKZSOFJNUPHDT-VXNVDRBHSA-N -1 3 344.339 -1.754 20 0 EAADHM Cn1cnc2c1ncnc2N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC001051806408 672844686 /nfs/dbraw/zinc/84/46/86/672844686.db2.gz LTGSWWQWUGKTHE-PSASIEDQSA-N -1 3 343.351 -1.149 20 0 EAADHM Cn1cnc2c1ncnc2N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001051806409 672844377 /nfs/dbraw/zinc/84/43/77/672844377.db2.gz LTGSWWQWUGKTHE-SCZZXKLOSA-N -1 3 343.351 -1.149 20 0 EAADHM Cn1cnc2c1ncnc2N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC001051806411 672844535 /nfs/dbraw/zinc/84/45/35/672844535.db2.gz LTGSWWQWUGKTHE-WCBMZHEXSA-N -1 3 343.351 -1.149 20 0 EAADHM Cn1cnc2c1ncnc2N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001051806412 672844618 /nfs/dbraw/zinc/84/46/18/672844618.db2.gz LTGSWWQWUGKTHE-WPRPVWTQSA-N -1 3 343.351 -1.149 20 0 EAADHM COC(=O)c1cnc(N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nc1 ZINC001051806478 672844655 /nfs/dbraw/zinc/84/46/55/672844655.db2.gz MZEKPGDAKBXCPQ-GXSJLCMTSA-N -1 3 347.335 -1.249 20 0 EAADHM COC(=O)c1cnc(N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nc1 ZINC001051806479 672844765 /nfs/dbraw/zinc/84/47/65/672844765.db2.gz MZEKPGDAKBXCPQ-KOLCDFICSA-N -1 3 347.335 -1.249 20 0 EAADHM COC(=O)c1cnc(N2CC[C@@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)nc1 ZINC001051806480 672844662 /nfs/dbraw/zinc/84/46/62/672844662.db2.gz MZEKPGDAKBXCPQ-MWLCHTKSSA-N -1 3 347.335 -1.249 20 0 EAADHM COC(=O)c1cnc(N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nc1 ZINC001051806481 672844867 /nfs/dbraw/zinc/84/48/67/672844867.db2.gz MZEKPGDAKBXCPQ-ONGXEEELSA-N -1 3 347.335 -1.249 20 0 EAADHM O=C(N[C@@H]1CCN(c2nccn3nnnc23)C[C@@H]1O)c1cn[n-]n1 ZINC001051806922 672844750 /nfs/dbraw/zinc/84/47/50/672844750.db2.gz POFDQSZUCSCXPY-APPZFPTMSA-N -1 3 330.312 -1.993 20 0 EAADHM O=C(N[C@H]1CCN(c2nccn3nnnc23)C[C@@H]1O)c1cn[n-]n1 ZINC001051806924 672844426 /nfs/dbraw/zinc/84/44/26/672844426.db2.gz POFDQSZUCSCXPY-CBAPKCEASA-N -1 3 330.312 -1.993 20 0 EAADHM O=C(N[C@H]1CCN(c2nccn3nnnc23)C[C@H]1O)c1cn[n-]n1 ZINC001051806930 672844741 /nfs/dbraw/zinc/84/47/41/672844741.db2.gz POFDQSZUCSCXPY-IONNQARKSA-N -1 3 330.312 -1.993 20 0 EAADHM O=C(N[C@@H]1CCN(c2nccn3nnnc23)C[C@H]1O)c1cn[n-]n1 ZINC001051806932 672844836 /nfs/dbraw/zinc/84/48/36/672844836.db2.gz POFDQSZUCSCXPY-VXNVDRBHSA-N -1 3 330.312 -1.993 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)nc1=O ZINC001051827907 672846875 /nfs/dbraw/zinc/84/68/75/672846875.db2.gz VAKFSONPDRZIGM-AEJSXWLSSA-N -1 3 338.368 -2.453 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)nc1=O ZINC001051827908 672847256 /nfs/dbraw/zinc/84/72/56/672847256.db2.gz VAKFSONPDRZIGM-BBBLOLIVSA-N -1 3 338.368 -2.453 20 0 EAADHM Cc1ccn(CC(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051829010 672846860 /nfs/dbraw/zinc/84/68/60/672846860.db2.gz RIQVJQGCSMAGSR-GFCCVEGCSA-N -1 3 349.395 -1.369 20 0 EAADHM Cc1ccn(CC(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051829011 672847001 /nfs/dbraw/zinc/84/70/01/672847001.db2.gz RIQVJQGCSMAGSR-LBPRGKRZSA-N -1 3 349.395 -1.369 20 0 EAADHM O=C(CCc1c[nH]nn1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051831107 672847647 /nfs/dbraw/zinc/84/76/47/672847647.db2.gz DWIYSERLACGVLC-JTQLQIEISA-N -1 3 336.356 -1.422 20 0 EAADHM O=C(CCc1cn[nH]n1)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051831107 672847645 /nfs/dbraw/zinc/84/76/45/672847645.db2.gz DWIYSERLACGVLC-JTQLQIEISA-N -1 3 336.356 -1.422 20 0 EAADHM O=C(CCc1c[nH]nn1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051831108 672847736 /nfs/dbraw/zinc/84/77/36/672847736.db2.gz DWIYSERLACGVLC-SNVBAGLBSA-N -1 3 336.356 -1.422 20 0 EAADHM O=C(CCc1cn[nH]n1)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051831108 672847735 /nfs/dbraw/zinc/84/77/35/672847735.db2.gz DWIYSERLACGVLC-SNVBAGLBSA-N -1 3 336.356 -1.422 20 0 EAADHM C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051832451 672847683 /nfs/dbraw/zinc/84/76/83/672847683.db2.gz NSSVAQJIMGXRFA-MDZLAQPJSA-N -1 3 339.396 -1.150 20 0 EAADHM C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051832452 672847574 /nfs/dbraw/zinc/84/75/74/672847574.db2.gz NSSVAQJIMGXRFA-WZRBSPASSA-N -1 3 339.396 -1.150 20 0 EAADHM C[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)O1 ZINC001051838934 672848608 /nfs/dbraw/zinc/84/86/08/672848608.db2.gz YOBFITPLENFSQY-GRYCIOLGSA-N -1 3 339.396 -1.007 20 0 EAADHM C[C@@H]1CC[C@H](C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)O1 ZINC001051838935 672848889 /nfs/dbraw/zinc/84/88/89/672848889.db2.gz YOBFITPLENFSQY-IJLUTSLNSA-N -1 3 339.396 -1.007 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)c3ccnnc3)CCO2)nc1=O ZINC001051844850 672848902 /nfs/dbraw/zinc/84/89/02/672848902.db2.gz XNPJSUSBGSVILV-LLVKDONJSA-N -1 3 333.352 -1.471 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)c3ccnnc3)CCO2)nc1=O ZINC001051844853 672848601 /nfs/dbraw/zinc/84/86/01/672848601.db2.gz XNPJSUSBGSVILV-NSHDSACASA-N -1 3 333.352 -1.471 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)Cc3cnc[nH]3)CCO2)nc1=O ZINC001051847989 672848679 /nfs/dbraw/zinc/84/86/79/672848679.db2.gz GWMBRVZFUAGXSA-LLVKDONJSA-N -1 3 335.368 -1.609 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)Cc3cnc[nH]3)CCO2)nc1=O ZINC001051847990 672848592 /nfs/dbraw/zinc/84/85/92/672848592.db2.gz GWMBRVZFUAGXSA-NSHDSACASA-N -1 3 335.368 -1.609 20 0 EAADHM Cc1ccnn1CC(=O)N1CCO[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051853184 672849426 /nfs/dbraw/zinc/84/94/26/672849426.db2.gz GCECVMZVKMLCIV-GFCCVEGCSA-N -1 3 349.395 -1.369 20 0 EAADHM Cc1ccnn1CC(=O)N1CCO[C@@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001051853186 672849373 /nfs/dbraw/zinc/84/93/73/672849373.db2.gz GCECVMZVKMLCIV-LBPRGKRZSA-N -1 3 349.395 -1.369 20 0 EAADHM CCn1ccc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051857941 672849917 /nfs/dbraw/zinc/84/99/17/672849917.db2.gz KZUUCKCQRXOHFC-LLVKDONJSA-N -1 3 349.395 -1.044 20 0 EAADHM CCn1ccc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051857946 672849780 /nfs/dbraw/zinc/84/97/80/672849780.db2.gz KZUUCKCQRXOHFC-NSHDSACASA-N -1 3 349.395 -1.044 20 0 EAADHM Cc1c[nH]c(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051861279 672849974 /nfs/dbraw/zinc/84/99/74/672849974.db2.gz CILZEXNJMDQNIO-JTQLQIEISA-N -1 3 335.368 -1.229 20 0 EAADHM Cc1c[nH]c(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051861280 672850000 /nfs/dbraw/zinc/85/00/00/672850000.db2.gz CILZEXNJMDQNIO-SNVBAGLBSA-N -1 3 335.368 -1.229 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)CCc3cn[nH]c3)CCO2)nc1=O ZINC001051861831 672849959 /nfs/dbraw/zinc/84/99/59/672849959.db2.gz OVAODUVILKWZQP-GFCCVEGCSA-N -1 3 349.395 -1.219 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)CCc3cn[nH]c3)CCO2)nc1=O ZINC001051861832 672849932 /nfs/dbraw/zinc/84/99/32/672849932.db2.gz OVAODUVILKWZQP-LBPRGKRZSA-N -1 3 349.395 -1.219 20 0 EAADHM Cn1ncc(C(=O)N2CCO[C@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051867385 672850095 /nfs/dbraw/zinc/85/00/95/672850095.db2.gz IJEVRXCLMCDMNI-SECBINFHSA-N -1 3 336.356 -2.132 20 0 EAADHM Cn1ncc(C(=O)N2CCO[C@@H](CNCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001051867386 672850729 /nfs/dbraw/zinc/85/07/29/672850729.db2.gz IJEVRXCLMCDMNI-VIFPVBQESA-N -1 3 336.356 -2.132 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)c3ccncn3)CCO2)nc1=O ZINC001051874265 672851216 /nfs/dbraw/zinc/85/12/16/672851216.db2.gz AFZNQHSRGWUQMI-JTQLQIEISA-N -1 3 333.352 -1.471 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)c3ccncn3)CCO2)nc1=O ZINC001051874266 672851195 /nfs/dbraw/zinc/85/11/95/672851195.db2.gz AFZNQHSRGWUQMI-SNVBAGLBSA-N -1 3 333.352 -1.471 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)c3ncccn3)CCO2)nc1=O ZINC001051877207 672851690 /nfs/dbraw/zinc/85/16/90/672851690.db2.gz ZIHNWSPAUMMWBV-JTQLQIEISA-N -1 3 333.352 -1.471 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)c3ncccn3)CCO2)nc1=O ZINC001051877208 672851740 /nfs/dbraw/zinc/85/17/40/672851740.db2.gz ZIHNWSPAUMMWBV-SNVBAGLBSA-N -1 3 333.352 -1.471 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)c3cccnn3)CCO2)nc1=O ZINC001051878167 672851862 /nfs/dbraw/zinc/85/18/62/672851862.db2.gz GRUDTCFAEKWJHG-JTQLQIEISA-N -1 3 333.352 -1.471 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)c3cccnn3)CCO2)nc1=O ZINC001051878171 672851969 /nfs/dbraw/zinc/85/19/69/672851969.db2.gz GRUDTCFAEKWJHG-SNVBAGLBSA-N -1 3 333.352 -1.471 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)CCO2)nc1=O ZINC001051884335 672852209 /nfs/dbraw/zinc/85/22/09/672852209.db2.gz NBCQYNDAJRFIRK-ABAIWWIYSA-N -1 3 339.396 -1.148 20 0 EAADHM Cn1[n-]c(CNC[C@@H]2CN(C(=O)[C@]3(C)CCOC3)CCO2)nc1=O ZINC001051884336 672852151 /nfs/dbraw/zinc/85/21/51/672852151.db2.gz NBCQYNDAJRFIRK-IAQYHMDHSA-N -1 3 339.396 -1.148 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@@]3(C)CCOC3)CCO2)nc1=O ZINC001051884337 672852108 /nfs/dbraw/zinc/85/21/08/672852108.db2.gz NBCQYNDAJRFIRK-NHYWBVRUSA-N -1 3 339.396 -1.148 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)[C@]3(C)CCOC3)CCO2)nc1=O ZINC001051884338 672852408 /nfs/dbraw/zinc/85/24/08/672852408.db2.gz NBCQYNDAJRFIRK-XHDPSFHLSA-N -1 3 339.396 -1.148 20 0 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Cn1[n-]c(CNC[C@@H]2CN(C(=O)Cn3ccnc3)CCO2)nc1=O ZINC001051948600 672862324 /nfs/dbraw/zinc/86/23/24/672862324.db2.gz ORYVPNPYEREJAM-LLVKDONJSA-N -1 3 335.368 -1.678 20 0 EAADHM Cn1[n-]c(CNC[C@H]2CN(C(=O)Cn3ccnc3)CCO2)nc1=O ZINC001051948603 672862229 /nfs/dbraw/zinc/86/22/29/672862229.db2.gz ORYVPNPYEREJAM-NSHDSACASA-N -1 3 335.368 -1.678 20 0 EAADHM C[C@@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNC(=O)c1cnc[n-]c1=O ZINC001051949866 672862255 /nfs/dbraw/zinc/86/22/55/672862255.db2.gz YXKJJPNKCMLRGW-BDAKNGLRSA-N -1 3 336.352 -1.325 20 0 EAADHM C[C@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001051949867 672862487 /nfs/dbraw/zinc/86/24/87/672862487.db2.gz YXKJJPNKCMLRGW-DTWKUNHWSA-N -1 3 336.352 -1.325 20 0 EAADHM C[C@H]1CN(C(=O)CNC(N)=O)C[C@@H]1CNC(=O)c1cnc[n-]c1=O ZINC001051949868 672862577 /nfs/dbraw/zinc/86/25/77/672862577.db2.gz YXKJJPNKCMLRGW-IUCAKERBSA-N -1 3 336.352 -1.325 20 0 EAADHM C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001051949869 672862306 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EAADHM C[C@@H](C(N)=O)N1CCN([C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001052040399 672869883 /nfs/dbraw/zinc/86/98/83/672869883.db2.gz FLCHPSHVKFQCOA-NWDGAFQWSA-N -1 3 348.407 -1.112 20 0 EAADHM C[C@@H](C(N)=O)N1CCN([C@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001052040400 672869863 /nfs/dbraw/zinc/86/98/63/672869863.db2.gz FLCHPSHVKFQCOA-RYUDHWBXSA-N -1 3 348.407 -1.112 20 0 EAADHM C[C@H](C(N)=O)N1CCN([C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001052040402 672869592 /nfs/dbraw/zinc/86/95/92/672869592.db2.gz FLCHPSHVKFQCOA-VXGBXAGGSA-N -1 3 348.407 -1.112 20 0 EAADHM CNC(=O)CN1CCN([C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001052040616 672869979 /nfs/dbraw/zinc/86/99/79/672869979.db2.gz IICDLBCDEQLFAY-GFCCVEGCSA-N -1 3 348.407 -1.240 20 0 EAADHM CNC(=O)CN1CCN([C@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001052040617 672869568 /nfs/dbraw/zinc/86/95/68/672869568.db2.gz IICDLBCDEQLFAY-LBPRGKRZSA-N -1 3 348.407 -1.240 20 0 EAADHM NC(=O)CN1CCN([C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001052041147 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QCTSGEVCIAQSGQ-PWSUYJOCSA-N -1 3 332.364 -1.008 20 0 EAADHM C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054359279 674174168 /nfs/dbraw/zinc/17/41/68/674174168.db2.gz QCTSGEVCIAQSGQ-ZYHUDNBSSA-N -1 3 332.364 -1.008 20 0 EAADHM C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054373709 674174466 /nfs/dbraw/zinc/17/44/66/674174466.db2.gz KTKITBLUXUOZBS-GHMZBOCLSA-N -1 3 336.396 -1.333 20 0 EAADHM C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054373710 674174572 /nfs/dbraw/zinc/17/45/72/674174572.db2.gz KTKITBLUXUOZBS-MNOVXSKESA-N -1 3 336.396 -1.333 20 0 EAADHM C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054373711 674174502 /nfs/dbraw/zinc/17/45/02/674174502.db2.gz KTKITBLUXUOZBS-QWRGUYRKSA-N -1 3 336.396 -1.333 20 0 EAADHM C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054373712 674174506 /nfs/dbraw/zinc/17/45/06/674174506.db2.gz KTKITBLUXUOZBS-WDEREUQCSA-N -1 3 336.396 -1.333 20 0 EAADHM 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C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054586512 674176032 /nfs/dbraw/zinc/17/60/32/674176032.db2.gz GSWMYMGRAFPRJA-VXGBXAGGSA-N -1 3 338.412 -1.623 20 0 EAADHM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054599353 674176445 /nfs/dbraw/zinc/17/64/45/674176445.db2.gz GOCRPNIWMFDRQH-GHMZBOCLSA-N -1 3 334.384 -1.273 20 0 EAADHM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054599354 674176448 /nfs/dbraw/zinc/17/64/48/674176448.db2.gz GOCRPNIWMFDRQH-MNOVXSKESA-N -1 3 334.384 -1.273 20 0 EAADHM C[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054599355 674176281 /nfs/dbraw/zinc/17/62/81/674176281.db2.gz GOCRPNIWMFDRQH-QWRGUYRKSA-N -1 3 334.384 -1.273 20 0 EAADHM C[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054599357 674176426 /nfs/dbraw/zinc/17/64/26/674176426.db2.gz GOCRPNIWMFDRQH-WDEREUQCSA-N -1 3 334.384 -1.273 20 0 EAADHM C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054599414 674176271 /nfs/dbraw/zinc/17/62/71/674176271.db2.gz RVUMDXGKSZNMQW-PSASIEDQSA-N -1 3 334.384 -1.326 20 0 EAADHM C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054599422 674176456 /nfs/dbraw/zinc/17/64/56/674176456.db2.gz RVUMDXGKSZNMQW-SCZZXKLOSA-N -1 3 334.384 -1.326 20 0 EAADHM C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054599426 674176451 /nfs/dbraw/zinc/17/64/51/674176451.db2.gz RVUMDXGKSZNMQW-WCBMZHEXSA-N -1 3 334.384 -1.326 20 0 EAADHM C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054599429 674176339 /nfs/dbraw/zinc/17/63/39/674176339.db2.gz RVUMDXGKSZNMQW-WPRPVWTQSA-N -1 3 334.384 -1.326 20 0 EAADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](NCc3nc(=O)n(C)[n-]3)C2)C1 ZINC001054602185 674176400 /nfs/dbraw/zinc/17/64/00/674176400.db2.gz RPKUDEKXOACWPN-BXKDBHETSA-N -1 3 336.396 -1.477 20 0 EAADHM CC(=O)N1CC(C(=O)N2C[C@H](NCc3nc(=O)n(C)[n-]3)[C@@H](C)C2)C1 ZINC001054602186 674176352 /nfs/dbraw/zinc/17/63/52/674176352.db2.gz RPKUDEKXOACWPN-CABZTGNLSA-N -1 3 336.396 -1.477 20 0 EAADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](NCc3nc(=O)n(C)[n-]3)C2)C1 ZINC001054602187 674176305 /nfs/dbraw/zinc/17/63/05/674176305.db2.gz RPKUDEKXOACWPN-JOYOIKCWSA-N -1 3 336.396 -1.477 20 0 EAADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](NCc3nc(=O)n(C)[n-]3)C2)C1 ZINC001054602188 674176442 /nfs/dbraw/zinc/17/64/42/674176442.db2.gz RPKUDEKXOACWPN-SKDRFNHKSA-N -1 3 336.396 -1.477 20 0 EAADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](NCc3nc(=O)n(C)[n-]3)C2)o1 ZINC001054616638 674176420 /nfs/dbraw/zinc/17/64/20/674176420.db2.gz GMKJAWHCDGBPSY-PSASIEDQSA-N -1 3 335.368 -1.021 20 0 EAADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](NCc3nc(=O)n(C)[n-]3)C2)o1 ZINC001054616642 674176372 /nfs/dbraw/zinc/17/63/72/674176372.db2.gz GMKJAWHCDGBPSY-SCZZXKLOSA-N -1 3 335.368 -1.021 20 0 EAADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@H](NCc3nc(=O)n(C)[n-]3)C2)o1 ZINC001054616644 674176256 /nfs/dbraw/zinc/17/62/56/674176256.db2.gz GMKJAWHCDGBPSY-WCBMZHEXSA-N -1 3 335.368 -1.021 20 0 EAADHM Cc1nnc(CC(=O)N2C[C@H](NCc3nc(=O)n(C)[n-]3)[C@@H](C)C2)o1 ZINC001054616645 674176408 /nfs/dbraw/zinc/17/64/08/674176408.db2.gz GMKJAWHCDGBPSY-WPRPVWTQSA-N -1 3 335.368 -1.021 20 0 EAADHM C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054622995 674176790 /nfs/dbraw/zinc/17/67/90/674176790.db2.gz PNACQHNEUHRXHL-BDAKNGLRSA-N -1 3 336.352 -1.350 20 0 EAADHM C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054622998 674176739 /nfs/dbraw/zinc/17/67/39/674176739.db2.gz PNACQHNEUHRXHL-DTWKUNHWSA-N -1 3 336.352 -1.350 20 0 EAADHM C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054623001 674176717 /nfs/dbraw/zinc/17/67/17/674176717.db2.gz PNACQHNEUHRXHL-IUCAKERBSA-N -1 3 336.352 -1.350 20 0 EAADHM C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054623005 674176755 /nfs/dbraw/zinc/17/67/55/674176755.db2.gz PNACQHNEUHRXHL-RKDXNWHRSA-N -1 3 336.352 -1.350 20 0 EAADHM CCn1nncc1C(=O)N1C[C@@H](C)[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001054635538 674176678 /nfs/dbraw/zinc/17/66/78/674176678.db2.gz QCZDTRBQEKPCEQ-NXEZZACHSA-N -1 3 334.384 -1.030 20 0 EAADHM CCn1nncc1C(=O)N1C[C@H](NCc2nc(=O)n(C)[n-]2)[C@@H](C)C1 ZINC001054635542 674176784 /nfs/dbraw/zinc/17/67/84/674176784.db2.gz QCZDTRBQEKPCEQ-UWVGGRQHSA-N -1 3 334.384 -1.030 20 0 EAADHM CCn1nncc1C(=O)N1C[C@H](C)[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001054635544 674176720 /nfs/dbraw/zinc/17/67/20/674176720.db2.gz QCZDTRBQEKPCEQ-VHSXEESVSA-N -1 3 334.384 -1.030 20 0 EAADHM CCn1nncc1C(=O)N1C[C@@H](C)[C@@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001054635548 674176705 /nfs/dbraw/zinc/17/67/05/674176705.db2.gz QCZDTRBQEKPCEQ-ZJUUUORDSA-N -1 3 334.384 -1.030 20 0 EAADHM CCn1ncc(C(=O)N2C[C@H](C)[C@H](NCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001054635997 674176658 /nfs/dbraw/zinc/17/66/58/674176658.db2.gz QPKNIXRMCXZTJJ-GXSJLCMTSA-N -1 3 334.384 -1.030 20 0 EAADHM CCn1ncc(C(=O)N2C[C@@H](C)[C@@H](NCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001054636000 674176694 /nfs/dbraw/zinc/17/66/94/674176694.db2.gz QPKNIXRMCXZTJJ-KOLCDFICSA-N -1 3 334.384 -1.030 20 0 EAADHM CCn1ncc(C(=O)N2C[C@@H](C)[C@H](NCc3nc(=O)n(C)[n-]3)C2)n1 ZINC001054636003 674176819 /nfs/dbraw/zinc/17/68/19/674176819.db2.gz QPKNIXRMCXZTJJ-MWLCHTKSSA-N -1 3 334.384 -1.030 20 0 EAADHM CCn1ncc(C(=O)N2C[C@H](NCc3nc(=O)n(C)[n-]3)[C@@H](C)C2)n1 ZINC001054636006 674176797 /nfs/dbraw/zinc/17/67/97/674176797.db2.gz QPKNIXRMCXZTJJ-ONGXEEELSA-N -1 3 334.384 -1.030 20 0 EAADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054682776 674178175 /nfs/dbraw/zinc/17/81/75/674178175.db2.gz XZPAUEPKNGPALJ-PSASIEDQSA-N -1 3 343.409 -1.911 20 0 EAADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054682780 674178269 /nfs/dbraw/zinc/17/82/69/674178269.db2.gz XZPAUEPKNGPALJ-SCZZXKLOSA-N -1 3 343.409 -1.911 20 0 EAADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054682784 674178140 /nfs/dbraw/zinc/17/81/40/674178140.db2.gz XZPAUEPKNGPALJ-WCBMZHEXSA-N -1 3 343.409 -1.911 20 0 EAADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054682788 674178297 /nfs/dbraw/zinc/17/82/97/674178297.db2.gz XZPAUEPKNGPALJ-WPRPVWTQSA-N -1 3 343.409 -1.911 20 0 EAADHM C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054739596 674178251 /nfs/dbraw/zinc/17/82/51/674178251.db2.gz SPHLYEYVWRFXHO-GXSJLCMTSA-N -1 3 347.379 -1.052 20 0 EAADHM C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054739602 674178166 /nfs/dbraw/zinc/17/81/66/674178166.db2.gz SPHLYEYVWRFXHO-KOLCDFICSA-N -1 3 347.379 -1.052 20 0 EAADHM C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054739604 674178311 /nfs/dbraw/zinc/17/83/11/674178311.db2.gz SPHLYEYVWRFXHO-MWLCHTKSSA-N -1 3 347.379 -1.052 20 0 EAADHM C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054739605 674178245 /nfs/dbraw/zinc/17/82/45/674178245.db2.gz SPHLYEYVWRFXHO-ONGXEEELSA-N -1 3 347.379 -1.052 20 0 EAADHM C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054768558 674178632 /nfs/dbraw/zinc/17/86/32/674178632.db2.gz UCDIHYZMLKBWDV-PSASIEDQSA-N -1 3 333.352 -1.146 20 0 EAADHM C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054768561 674178556 /nfs/dbraw/zinc/17/85/56/674178556.db2.gz UCDIHYZMLKBWDV-SCZZXKLOSA-N -1 3 333.352 -1.146 20 0 EAADHM C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054768565 674178706 /nfs/dbraw/zinc/17/87/06/674178706.db2.gz UCDIHYZMLKBWDV-WCBMZHEXSA-N -1 3 333.352 -1.146 20 0 EAADHM C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054768569 674178540 /nfs/dbraw/zinc/17/85/40/674178540.db2.gz UCDIHYZMLKBWDV-WPRPVWTQSA-N -1 3 333.352 -1.146 20 0 EAADHM C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054774113 674178531 /nfs/dbraw/zinc/17/85/31/674178531.db2.gz HYQYIKWHHKKFEH-GXSJLCMTSA-N -1 3 347.379 -1.548 20 0 EAADHM C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC001054774115 674179009 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IELZXUAYOLJDIF-SVRRBLITSA-N -1 3 334.340 -1.040 20 0 EAADHM Cc1nc(CN[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C)n[nH]1 ZINC001054859230 674180584 /nfs/dbraw/zinc/18/05/84/674180584.db2.gz IELZXUAYOLJDIF-XPUUQOCRSA-N -1 3 334.340 -1.040 20 0 EAADHM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NCC(=O)N1CCC1 ZINC001054862441 674180491 /nfs/dbraw/zinc/18/04/91/674180491.db2.gz DMXYCQPGMGFFCJ-BDAKNGLRSA-N -1 3 336.352 -1.435 20 0 EAADHM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NCC(=O)N1CCC1 ZINC001054862442 674180399 /nfs/dbraw/zinc/18/03/99/674180399.db2.gz DMXYCQPGMGFFCJ-DTWKUNHWSA-N -1 3 336.352 -1.435 20 0 EAADHM C[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1NCC(=O)N1CCC1 ZINC001054862443 674180384 /nfs/dbraw/zinc/18/03/84/674180384.db2.gz DMXYCQPGMGFFCJ-IUCAKERBSA-N -1 3 336.352 -1.435 20 0 EAADHM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NCC(=O)N1CCC1 ZINC001054862444 674180510 /nfs/dbraw/zinc/18/05/10/674180510.db2.gz DMXYCQPGMGFFCJ-RKDXNWHRSA-N -1 3 336.352 -1.435 20 0 EAADHM 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685376126 /nfs/dbraw/zinc/37/61/26/685376126.db2.gz OQCWXWSJKKYRLP-VIFPVBQESA-N -1 3 349.351 -1.598 20 0 EAADHM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCN3C)C2)nc1=O ZINC001077237378 685380294 /nfs/dbraw/zinc/38/02/94/685380294.db2.gz HUIYRMVAJRGPBD-GRYCIOLGSA-N -1 3 338.412 -1.746 20 0 EAADHM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCN3C)C2)nc1=O ZINC001077237379 685380185 /nfs/dbraw/zinc/38/01/85/685380185.db2.gz HUIYRMVAJRGPBD-IJLUTSLNSA-N -1 3 338.412 -1.746 20 0 EAADHM CC(=O)NCC(=O)NCC(=O)NCC[C@H](C)NC(=O)c1cn[n-]n1 ZINC001077276814 685391687 /nfs/dbraw/zinc/39/16/87/685391687.db2.gz TUYQPWMJBMRGGC-QMMMGPOBSA-N -1 3 339.356 -2.318 20 0 EAADHM O=C(CN1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1)Nc1nncs1 ZINC001077286942 685393361 /nfs/dbraw/zinc/39/33/61/685393361.db2.gz AAFRHOZLWRGVAX-HTQZYQBOSA-N -1 3 338.353 -1.930 20 0 EAADHM O=C(N[C@@H]1CN(Cc2cn(CC3CC3)nn2)C[C@H]1O)c1cn[n-]n1 ZINC001077286975 685393445 /nfs/dbraw/zinc/39/34/45/685393445.db2.gz BVVGBGZHVPCJSJ-CHWSQXEVSA-N -1 3 332.368 -1.219 20 0 EAADHM CN(C)c1nc(CN2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)ns1 ZINC001077287007 685393206 /nfs/dbraw/zinc/39/32/06/685393206.db2.gz DCDJFBKJOSIAJP-RKDXNWHRSA-N -1 3 338.397 -1.303 20 0 EAADHM Cn1c(CN2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)nnc1C1CC1 ZINC001077287018 685393266 /nfs/dbraw/zinc/39/32/66/685393266.db2.gz DWUDEEAIIVINRH-GHMZBOCLSA-N -1 3 332.368 -1.214 20 0 EAADHM NC(=O)[C@@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001077287049 685393239 /nfs/dbraw/zinc/39/32/39/685393239.db2.gz GPISOWWAWJVFOF-JHJVBQTASA-N -1 3 348.338 -1.055 20 0 EAADHM NC(=O)[C@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001077287050 685393344 /nfs/dbraw/zinc/39/33/44/685393344.db2.gz GPISOWWAWJVFOF-UPJWGTAASA-N -1 3 348.338 -1.055 20 0 EAADHM COCCc1noc(CN2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001077287113 685393568 /nfs/dbraw/zinc/39/35/68/685393568.db2.gz JKOPTDJQERTYFC-NXEZZACHSA-N -1 3 337.340 -1.648 20 0 EAADHM Cc1cc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)no1 ZINC001077287253 685393549 /nfs/dbraw/zinc/39/35/49/685393549.db2.gz QRTGPYYJTFQYOO-NXEZZACHSA-N -1 3 335.324 -1.485 20 0 EAADHM CO[C@@H](C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001077287261 685393918 /nfs/dbraw/zinc/39/39/18/685393918.db2.gz QZVDSTNKPVFWIO-FXBDTBDDSA-N -1 3 337.340 -1.130 20 0 EAADHM CO[C@H](C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001077287262 685393770 /nfs/dbraw/zinc/39/37/70/685393770.db2.gz QZVDSTNKPVFWIO-SZEHBUNVSA-N -1 3 337.340 -1.130 20 0 EAADHM O=C(CN1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1)Nc1cnccn1 ZINC001077287290 685393937 /nfs/dbraw/zinc/39/39/37/685393937.db2.gz SNJYUUUOECTATL-NXEZZACHSA-N -1 3 332.324 -1.992 20 0 EAADHM O=C(N[C@@H]1CN(Cc2nnc3n2CCCC3)C[C@H]1O)c1cn[n-]n1 ZINC001077287359 685394736 /nfs/dbraw/zinc/39/47/36/685394736.db2.gz VXNXNEQFKKVAJJ-GHMZBOCLSA-N -1 3 332.368 -1.292 20 0 EAADHM O=C(N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1O)c1cn[n-]n1 ZINC001077287397 685394170 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ZINC001086165882 686391331 /nfs/dbraw/zinc/39/13/31/686391331.db2.gz NHUUPBMIXQFQTR-OCAPTIKFSA-N -1 3 349.351 -1.392 20 0 EAADHM Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001086165909 686391519 /nfs/dbraw/zinc/39/15/19/686391519.db2.gz OMEDUHHSTSDVIP-AOOOYVTPSA-N -1 3 347.379 -1.087 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)nc1=O ZINC001086166567 686391705 /nfs/dbraw/zinc/39/17/05/686391705.db2.gz LGIYLHUQHVBYNT-LMLFDSFASA-N -1 3 336.396 -1.396 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)nc1=O ZINC001086166568 686391501 /nfs/dbraw/zinc/39/15/01/686391501.db2.gz LGIYLHUQHVBYNT-VLEAKVRGSA-N -1 3 336.396 -1.396 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[C@H]3C(N)=O)C2)nc1=O ZINC001086166569 686391993 /nfs/dbraw/zinc/39/19/93/686391993.db2.gz LGIYLHUQHVBYNT-YTWAJWBKSA-N -1 3 336.396 -1.396 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)nc1=O ZINC001086166570 686391970 /nfs/dbraw/zinc/39/19/70/686391970.db2.gz LGIYLHUQHVBYNT-ZRUFSTJUSA-N -1 3 336.396 -1.396 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)c3c[nH]c(=O)n3C)C2)nc1=O ZINC001086167278 686391773 /nfs/dbraw/zinc/39/17/73/686391773.db2.gz FPBKZJXYCMAWJD-DTORHVGOSA-N -1 3 335.368 -1.154 20 0 EAADHM CN1C[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)NC1=O ZINC001086168657 686391823 /nfs/dbraw/zinc/39/18/23/686391823.db2.gz SJYCZTINPMQERL-AEJSXWLSSA-N -1 3 337.384 -1.884 20 0 EAADHM CN1C[C@H](C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)NC1=O ZINC001086168658 686391396 /nfs/dbraw/zinc/39/13/96/686391396.db2.gz SJYCZTINPMQERL-KXUCPTDWSA-N -1 3 337.384 -1.884 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@H](CNC(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O ZINC001086169185 686391920 /nfs/dbraw/zinc/39/19/20/686391920.db2.gz JCFLETTZWFNPPN-AXFHLTTASA-N -1 3 336.396 -1.286 20 0 EAADHM CN1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)C1=O ZINC001086173486 686392592 /nfs/dbraw/zinc/39/25/92/686392592.db2.gz LZOHQSYFDLCALQ-AXFHLTTASA-N -1 3 336.396 -1.429 20 0 EAADHM CN1CC[C@H](C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)C1=O ZINC001086173487 686392335 /nfs/dbraw/zinc/39/23/35/686392335.db2.gz LZOHQSYFDLCALQ-OUAUKWLOSA-N -1 3 336.396 -1.429 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@H](CNC(=O)[C@H]3CCC(=O)N3C)C2)nc1=O ZINC001086175152 686392211 /nfs/dbraw/zinc/39/22/11/686392211.db2.gz JCFLETTZWFNPPN-OUAUKWLOSA-N -1 3 336.396 -1.286 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)c3c[nH]c(=O)cn3)C2)nc1=O ZINC001086180673 686392495 /nfs/dbraw/zinc/39/24/95/686392495.db2.gz YMIIMFLNSOPGNZ-DTORHVGOSA-N -1 3 333.352 -1.510 20 0 EAADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)O1 ZINC001086196250 686392606 /nfs/dbraw/zinc/39/26/06/686392606.db2.gz AUUPIXXAVIVEQJ-QCLAVDOMSA-N -1 3 338.368 -1.472 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)c3ccc(C(N)=O)[nH]3)C2)nc1=O ZINC001086198377 686392253 /nfs/dbraw/zinc/39/22/53/686392253.db2.gz RESCJXYNNRGZRD-DTORHVGOSA-N -1 3 347.379 -1.166 20 0 EAADHM O=C(NC[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086213272 686393046 /nfs/dbraw/zinc/39/30/46/686393046.db2.gz VLIPGUPQNLUQOI-RNJXMRFFSA-N -1 3 337.340 -1.907 20 0 EAADHM O=C(NC[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C1CC(=O)NC(=O)C1 ZINC001086224850 686394183 /nfs/dbraw/zinc/39/41/83/686394183.db2.gz NVIMZGNSWOHIPP-OTSSQURYSA-N -1 3 336.352 -1.453 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)c3cc(C(N)=O)c[nH]3)C2)nc1=O ZINC001086234943 686393919 /nfs/dbraw/zinc/39/39/19/686393919.db2.gz RSCLDBRYYHWHOX-WAAGHKOSSA-N -1 3 347.379 -1.166 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@H](CNC(=O)c3ccc(=O)n(C)n3)C2)nc1=O ZINC001086267453 686395096 /nfs/dbraw/zinc/39/50/96/686395096.db2.gz GRHQEBFWVXPEER-AOOOYVTPSA-N -1 3 347.379 -1.500 20 0 EAADHM Cn1nc(C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)ccc1=O ZINC001086267842 686394670 /nfs/dbraw/zinc/39/46/70/686394670.db2.gz ZLGBSIYYMUIYAQ-DTORHVGOSA-N -1 3 333.352 -1.098 20 0 EAADHM NC(=O)c1nccnc1C(=O)NC[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001086268747 686395019 /nfs/dbraw/zinc/39/50/19/686395019.db2.gz WBSHSNYMLVSLKA-OCAPTIKFSA-N -1 3 346.351 -1.303 20 0 EAADHM Cn1cc(C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]c1=O ZINC001086270672 686394879 /nfs/dbraw/zinc/39/48/79/686394879.db2.gz OUUUYIVICITIER-OCAPTIKFSA-N -1 3 349.351 -1.392 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@@H](CNC(=O)c3c[nH]c(C(N)=O)c3)C2)nc1=O ZINC001086273042 686394750 /nfs/dbraw/zinc/39/47/50/686394750.db2.gz NNEPTWPYJFSKCW-WAAGHKOSSA-N -1 3 347.379 -1.166 20 0 EAADHM O=C(NC[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001086275223 686395681 /nfs/dbraw/zinc/39/56/81/686395681.db2.gz QXUAOSUVQJMHAZ-HRDYMLBCSA-N -1 3 344.397 -1.814 20 0 EAADHM O=C(NC[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001086275224 686396096 /nfs/dbraw/zinc/39/60/96/686396096.db2.gz QXUAOSUVQJMHAZ-YIZRAAEISA-N -1 3 344.397 -1.814 20 0 EAADHM NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001086278545 686396278 /nfs/dbraw/zinc/39/62/78/686396278.db2.gz AXBWIHHLKMQTOS-OCAPTIKFSA-N -1 3 349.355 -2.115 20 0 EAADHM Cn1cc(C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)n(C)c1=O ZINC001086279978 686396607 /nfs/dbraw/zinc/39/66/07/686396607.db2.gz IAJMHDNKIDLGCZ-AOOOYVTPSA-N -1 3 349.395 -1.556 20 0 EAADHM Cn1cc(C(=O)NC[C@H]2C[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n(C)c1=O ZINC001086280212 686396620 /nfs/dbraw/zinc/39/66/20/686396620.db2.gz QFJAKJMAPSHWTK-DTORHVGOSA-N -1 3 335.368 -1.154 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3ccc(=O)[nH]n3)C2)nc1=O ZINC001086301954 686396470 /nfs/dbraw/zinc/39/64/70/686396470.db2.gz XOZLGTUUHVBZEI-KYZUINATSA-N -1 3 333.352 -1.098 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@@H]3COCCO3)C2)nc1=O ZINC001086311812 686396966 /nfs/dbraw/zinc/39/69/66/686396966.db2.gz WXDHBWALTXPNAJ-DCAQKATOSA-N -1 3 325.369 -1.492 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@H]3COCCO3)C2)nc1=O ZINC001086311813 686396553 /nfs/dbraw/zinc/39/65/53/686396553.db2.gz WXDHBWALTXPNAJ-GMTAPVOTSA-N -1 3 325.369 -1.492 20 0 EAADHM COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001086324316 686396449 /nfs/dbraw/zinc/39/64/49/686396449.db2.gz WGFOMNWNGDBPQH-DBIOUOCHSA-N -1 3 337.380 -1.098 20 0 EAADHM COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001086324317 686396588 /nfs/dbraw/zinc/39/65/88/686396588.db2.gz WGFOMNWNGDBPQH-GWOFURMSSA-N -1 3 337.380 -1.098 20 0 EAADHM COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001086324318 686396862 /nfs/dbraw/zinc/39/68/62/686396862.db2.gz WGFOMNWNGDBPQH-NAKRPEOUSA-N -1 3 337.380 -1.098 20 0 EAADHM COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001086324319 686396987 /nfs/dbraw/zinc/39/69/87/686396987.db2.gz WGFOMNWNGDBPQH-XWLWVQCSSA-N -1 3 337.380 -1.098 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3nccnc3N)C2)nc1=O ZINC001086328832 686397464 /nfs/dbraw/zinc/39/74/64/686397464.db2.gz KIWCUUBAFCFBCF-KYZUINATSA-N -1 3 332.368 -1.221 20 0 EAADHM Cc1c(C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)nnn1C ZINC001086331317 686397282 /nfs/dbraw/zinc/39/72/82/686397282.db2.gz MESFPFKWSOOSEV-MGCOHNPYSA-N -1 3 334.384 -1.156 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@H]3CCNC(=O)C3)C2)nc1=O ZINC001086338092 686397838 /nfs/dbraw/zinc/39/78/38/686397838.db2.gz YDRHUKFCXIYRNA-DCAQKATOSA-N -1 3 336.396 -1.381 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CCNC(=O)C3)C2)nc1=O ZINC001086338093 686397934 /nfs/dbraw/zinc/39/79/34/686397934.db2.gz YDRHUKFCXIYRNA-GMTAPVOTSA-N -1 3 336.396 -1.381 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@@H](CNC(=O)[C@H]3COCCN3C)C2)nc1=O ZINC001086342898 686397908 /nfs/dbraw/zinc/39/79/08/686397908.db2.gz HGGXJXYURUQKJA-IJLUTSLNSA-N -1 3 338.412 -1.577 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@@H](CNC(=O)[C@@H]3COCCN3C)C2)nc1=O ZINC001086342899 686397508 /nfs/dbraw/zinc/39/75/08/686397508.db2.gz HGGXJXYURUQKJA-SRVKXCTJSA-N -1 3 338.412 -1.577 20 0 EAADHM Cn1ncc(C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)c1N ZINC001086345784 686398156 /nfs/dbraw/zinc/39/81/56/686398156.db2.gz CZYKJYHEHGBENJ-KYZUINATSA-N -1 3 334.384 -1.278 20 0 EAADHM CC(=O)N1CC(C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)C1 ZINC001086350814 686397621 /nfs/dbraw/zinc/39/76/21/686397621.db2.gz KTEPJUYDXVQKQV-UMSPYCQHSA-N -1 3 336.396 -1.429 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3cc(=O)n(C)o3)C2)nc1=O ZINC001086352161 686397427 /nfs/dbraw/zinc/39/74/27/686397427.db2.gz KKSHVAVYAJIVKO-KYZUINATSA-N -1 3 336.352 -1.302 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)C3CS(=O)(=O)C3)C2)nc1=O ZINC001086376139 686398561 /nfs/dbraw/zinc/39/85/61/686398561.db2.gz WPXXPDCBKOMSJG-CZMCAQCFSA-N -1 3 343.409 -1.863 20 0 EAADHM CN1C[C@@H](C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)CC1=O ZINC001086381484 686398845 /nfs/dbraw/zinc/39/88/45/686398845.db2.gz XZXOEOADHVNLDU-DCAQKATOSA-N -1 3 336.396 -1.429 20 0 EAADHM CN1C[C@H](C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)CC1=O ZINC001086381485 686398887 /nfs/dbraw/zinc/39/88/87/686398887.db2.gz XZXOEOADHVNLDU-GMTAPVOTSA-N -1 3 336.396 -1.429 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3cc4n(n3)CCO4)C2)nc1=O ZINC001086388440 686398433 /nfs/dbraw/zinc/39/84/33/686398433.db2.gz DRVLNQVJQWYPPE-MGCOHNPYSA-N -1 3 347.379 -1.005 20 0 EAADHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001086390400 686398406 /nfs/dbraw/zinc/39/84/06/686398406.db2.gz RNUUEBJHSKXOEH-ZPFDUUQYSA-N -1 3 339.396 -1.103 20 0 EAADHM Cn1cnc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)cc1=O ZINC001086391045 686398702 /nfs/dbraw/zinc/39/87/02/686398702.db2.gz XXBOIZDBPFJROG-KYZUINATSA-N -1 3 333.352 -1.098 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@@H](CNC(=O)c3cc(=O)n(C)cn3)C2)nc1=O ZINC001086391114 686398920 /nfs/dbraw/zinc/39/89/20/686398920.db2.gz ARNJUBNTPQUNCR-MGCOHNPYSA-N -1 3 347.379 -1.500 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@H]3CCCNC3=O)C2)nc1=O ZINC001086391634 686398333 /nfs/dbraw/zinc/39/83/33/686398333.db2.gz CQPMLAJOMUNHMA-DCAQKATOSA-N -1 3 336.396 -1.381 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CCCNC3=O)C2)nc1=O ZINC001086391635 686399064 /nfs/dbraw/zinc/39/90/64/686399064.db2.gz CQPMLAJOMUNHMA-GMTAPVOTSA-N -1 3 336.396 -1.381 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3cn[nH]c(=O)c3)C2)nc1=O ZINC001086394968 686398582 /nfs/dbraw/zinc/39/85/82/686398582.db2.gz GZSULQYMYLTUDS-CZMCAQCFSA-N -1 3 333.352 -1.098 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)nc1=O ZINC001086395598 686398985 /nfs/dbraw/zinc/39/89/85/686398985.db2.gz PMWXINBQZKIUOB-GMTAPVOTSA-N -1 3 336.396 -1.239 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@H]3CCC(=O)NC3)C2)nc1=O ZINC001086414254 686399518 /nfs/dbraw/zinc/39/95/18/686399518.db2.gz OUBUWSLOJZEKHN-DCAQKATOSA-N -1 3 336.396 -1.381 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CCC(=O)NC3)C2)nc1=O ZINC001086414255 686399319 /nfs/dbraw/zinc/39/93/19/686399319.db2.gz OUBUWSLOJZEKHN-GMTAPVOTSA-N -1 3 336.396 -1.381 20 0 EAADHM Cn1nncc1CN[C@H]1C[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001086418199 686399331 /nfs/dbraw/zinc/39/93/31/686399331.db2.gz FIGKQQILUGRIIN-ZKCHVHJHSA-N -1 3 334.340 -1.291 20 0 EAADHM Cn1cc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)ncc1=O ZINC001086431161 686399653 /nfs/dbraw/zinc/39/96/53/686399653.db2.gz ASHSIXCXZIKATC-KYZUINATSA-N -1 3 333.352 -1.098 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@@H](CNC(=O)c3cn(C)c(=O)cn3)C2)nc1=O ZINC001086434508 686399736 /nfs/dbraw/zinc/39/97/36/686399736.db2.gz VHZOQBILERIGBF-MGCOHNPYSA-N -1 3 347.379 -1.500 20 0 EAADHM Cn1c(=O)[nH]cc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1=O ZINC001086445760 686400393 /nfs/dbraw/zinc/40/03/93/686400393.db2.gz NHUUPBMIXQFQTR-ZKCHVHJHSA-N -1 3 349.351 -1.392 20 0 EAADHM Cn1nncc1CN[C@H]1C[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001086445783 686400450 /nfs/dbraw/zinc/40/04/50/686400450.db2.gz OMEDUHHSTSDVIP-MGCOHNPYSA-N -1 3 347.379 -1.087 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[C@H]3C(N)=O)C2)nc1=O ZINC001086446454 686400493 /nfs/dbraw/zinc/40/04/93/686400493.db2.gz LGIYLHUQHVBYNT-DBIOUOCHSA-N -1 3 336.396 -1.396 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)nc1=O ZINC001086446455 686400417 /nfs/dbraw/zinc/40/04/17/686400417.db2.gz LGIYLHUQHVBYNT-GWOFURMSSA-N -1 3 336.396 -1.396 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)nc1=O ZINC001086446456 686400521 /nfs/dbraw/zinc/40/05/21/686400521.db2.gz LGIYLHUQHVBYNT-NAKRPEOUSA-N -1 3 336.396 -1.396 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)nc1=O ZINC001086446457 686400745 /nfs/dbraw/zinc/40/07/45/686400745.db2.gz LGIYLHUQHVBYNT-XWLWVQCSSA-N -1 3 336.396 -1.396 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(=O)n3C)C2)nc1=O ZINC001086447976 686400348 /nfs/dbraw/zinc/40/03/48/686400348.db2.gz FPBKZJXYCMAWJD-KYZUINATSA-N -1 3 335.368 -1.154 20 0 EAADHM CN1C[C@@H](C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)NC1=O ZINC001086448726 686400364 /nfs/dbraw/zinc/40/03/64/686400364.db2.gz SJYCZTINPMQERL-GUBZILKMSA-N -1 3 337.384 -1.884 20 0 EAADHM CN1C[C@H](C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)NC1=O ZINC001086448727 686400585 /nfs/dbraw/zinc/40/05/85/686400585.db2.gz SJYCZTINPMQERL-OPRDCNLKSA-N -1 3 337.384 -1.884 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)C2)nc1=O ZINC001086450787 686401260 /nfs/dbraw/zinc/40/12/60/686401260.db2.gz JCFLETTZWFNPPN-DCAQKATOSA-N -1 3 336.396 -1.286 20 0 EAADHM CN1CC[C@@H](C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)C1=O ZINC001086452585 686401505 /nfs/dbraw/zinc/40/15/05/686401505.db2.gz LZOHQSYFDLCALQ-DCAQKATOSA-N -1 3 336.396 -1.429 20 0 EAADHM CN1CC[C@H](C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)C1=O ZINC001086452586 686401086 /nfs/dbraw/zinc/40/10/86/686401086.db2.gz LZOHQSYFDLCALQ-GMTAPVOTSA-N -1 3 336.396 -1.429 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@@H](CNC(=O)[C@H]3CCC(=O)N3C)C2)nc1=O ZINC001086455922 686401078 /nfs/dbraw/zinc/40/10/78/686401078.db2.gz JCFLETTZWFNPPN-GMTAPVOTSA-N -1 3 336.396 -1.286 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(=O)cn3)C2)nc1=O ZINC001086461086 686401429 /nfs/dbraw/zinc/40/14/29/686401429.db2.gz YMIIMFLNSOPGNZ-KYZUINATSA-N -1 3 333.352 -1.510 20 0 EAADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)O1 ZINC001086476724 686401891 /nfs/dbraw/zinc/40/18/91/686401891.db2.gz AUUPIXXAVIVEQJ-AATLWQCWSA-N -1 3 338.368 -1.472 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3ccc(C(N)=O)[nH]3)C2)nc1=O ZINC001086480653 686402250 /nfs/dbraw/zinc/40/22/50/686402250.db2.gz RESCJXYNNRGZRD-KYZUINATSA-N -1 3 347.379 -1.166 20 0 EAADHM O=C(NC[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001086493101 686401826 /nfs/dbraw/zinc/40/18/26/686401826.db2.gz VLIPGUPQNLUQOI-FXQIFTODSA-N -1 3 337.340 -1.907 20 0 EAADHM O=C(NC[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1)C1CC(=O)NC(=O)C1 ZINC001086505236 686402900 /nfs/dbraw/zinc/40/29/00/686402900.db2.gz NVIMZGNSWOHIPP-XWEPSHTISA-N -1 3 336.352 -1.453 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3cc(C(N)=O)c[nH]3)C2)nc1=O ZINC001086516495 686405326 /nfs/dbraw/zinc/40/53/26/686405326.db2.gz RSCLDBRYYHWHOX-CZMCAQCFSA-N -1 3 347.379 -1.166 20 0 EAADHM Cn1[n-]c(CN[C@@H]2C[C@@H](CNC(=O)c3ccc(=O)n(C)n3)C2)nc1=O ZINC001086547368 686406113 /nfs/dbraw/zinc/40/61/13/686406113.db2.gz GRHQEBFWVXPEER-MGCOHNPYSA-N -1 3 347.379 -1.500 20 0 EAADHM Cn1nc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)ccc1=O ZINC001086547728 686406289 /nfs/dbraw/zinc/40/62/89/686406289.db2.gz ZLGBSIYYMUIYAQ-KYZUINATSA-N -1 3 333.352 -1.098 20 0 EAADHM NC(=O)c1nccnc1C(=O)NC[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001086548655 686406355 /nfs/dbraw/zinc/40/63/55/686406355.db2.gz WBSHSNYMLVSLKA-ZKCHVHJHSA-N -1 3 346.351 -1.303 20 0 EAADHM Cn1cc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)c(=O)[nH]c1=O ZINC001086551218 686406126 /nfs/dbraw/zinc/40/61/26/686406126.db2.gz OUUUYIVICITIER-ZKCHVHJHSA-N -1 3 349.351 -1.392 20 0 EAADHM Cn1[n-]c(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(C(N)=O)c3)C2)nc1=O ZINC001086553432 686407089 /nfs/dbraw/zinc/40/70/89/686407089.db2.gz NNEPTWPYJFSKCW-CZMCAQCFSA-N -1 3 347.379 -1.166 20 0 EAADHM O=C(NC[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001086554573 686407116 /nfs/dbraw/zinc/40/71/16/686407116.db2.gz QXUAOSUVQJMHAZ-CIUDSAMLSA-N -1 3 344.397 -1.814 20 0 EAADHM O=C(NC[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001086554574 686407016 /nfs/dbraw/zinc/40/70/16/686407016.db2.gz QXUAOSUVQJMHAZ-IWSPIJDZSA-N -1 3 344.397 -1.814 20 0 EAADHM NC(=O)Cn1cc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001086558556 686407869 /nfs/dbraw/zinc/40/78/69/686407869.db2.gz AXBWIHHLKMQTOS-ZKCHVHJHSA-N -1 3 349.355 -2.115 20 0 EAADHM Cn1cc(C(=O)NC[C@H]2C[C@H](NCc3nc(=O)n(C)[n-]3)C2)n(C)c1=O ZINC001086559700 686407931 /nfs/dbraw/zinc/40/79/31/686407931.db2.gz IAJMHDNKIDLGCZ-MGCOHNPYSA-N -1 3 349.395 -1.556 20 0 EAADHM Cn1cc(C(=O)NC[C@H]2C[C@H](NCc3n[nH]c(=O)[n-]3)C2)n(C)c1=O ZINC001086559931 686407788 /nfs/dbraw/zinc/40/77/88/686407788.db2.gz QFJAKJMAPSHWTK-KYZUINATSA-N -1 3 335.368 -1.154 20 0 EAADHM Cn1nncc1C(=O)NC[C@H]1CC[C@@H](NCc2nn(C)c(=O)[n-]2)C1 ZINC001086687013 686408573 /nfs/dbraw/zinc/40/85/73/686408573.db2.gz UIHIEWAAEOWNPJ-VHSXEESVSA-N -1 3 334.384 -1.075 20 0 EAADHM Cn1cc(C(=O)NC[C@H]2CC[C@@H](NCc3nn(C)c(=O)[n-]3)C2)nn1 ZINC001086687574 686408591 /nfs/dbraw/zinc/40/85/91/686408591.db2.gz YXBRDQYMTDZBJR-VHSXEESVSA-N -1 3 334.384 -1.075 20 0 EAADHM CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O ZINC001086777217 686409179 /nfs/dbraw/zinc/40/91/79/686409179.db2.gz HOZPJHYRQBPNJJ-AEJSXWLSSA-N -1 3 337.384 -1.092 20 0 EAADHM CN1C[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)NC1=O ZINC001086777218 686409282 /nfs/dbraw/zinc/40/92/82/686409282.db2.gz 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ZINC001087255419 685080524 /nfs/dbraw/zinc/08/05/24/685080524.db2.gz SNMWNOSNVRVAME-UHFFFAOYSA-N -1 3 345.323 -1.087 20 0 EAADHM Cn1nnc(CNCc2cc(=O)[n-]c(CNC(=O)c3cn[nH]c3)n2)n1 ZINC001087255496 685080344 /nfs/dbraw/zinc/08/03/44/685080344.db2.gz WPKPWGOKISUTKG-UHFFFAOYSA-N -1 3 344.339 -1.351 20 0 EAADHM O=C(NCc1nc(CNCc2cnon2)cc(=O)[n-]1)[C@H]1CCC(=O)N1 ZINC001087255616 685080135 /nfs/dbraw/zinc/08/01/35/685080135.db2.gz BNTOESKDLJCTFC-SNVBAGLBSA-N -1 3 347.335 -1.250 20 0 EAADHM Cn1nccc1C(=O)NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087255625 685080368 /nfs/dbraw/zinc/08/03/68/685080368.db2.gz CIBZIYPGSFYEKB-JTQLQIEISA-N -1 3 345.363 -1.176 20 0 EAADHM Cn1nccc1C(=O)NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087255626 685080873 /nfs/dbraw/zinc/08/08/73/685080873.db2.gz CIBZIYPGSFYEKB-SNVBAGLBSA-N -1 3 345.363 -1.176 20 0 EAADHM Cn1nnnc1CNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCOC2)n1 ZINC001087255830 685080255 /nfs/dbraw/zinc/08/02/55/685080255.db2.gz NFXWKWRQVAKQAW-SECBINFHSA-N -1 3 348.367 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Cn1cnc(C(=O)NCc2nc(CN[C@H]3CCNC3=O)cc(=O)[n-]2)c1 ZINC001087256275 685080174 /nfs/dbraw/zinc/08/01/74/685080174.db2.gz HAXRGDOZKQRHKG-JTQLQIEISA-N -1 3 345.363 -1.176 20 0 EAADHM Cn1cnc(C(=O)NCc2nc(CN[C@@H]3CCNC3=O)cc(=O)[n-]2)c1 ZINC001087256276 685080398 /nfs/dbraw/zinc/08/03/98/685080398.db2.gz HAXRGDOZKQRHKG-SNVBAGLBSA-N -1 3 345.363 -1.176 20 0 EAADHM O=C(NCc1nc(CNCc2cnon2)cc(=O)[n-]1)[C@H]1COC(=O)N1 ZINC001087256475 685080415 /nfs/dbraw/zinc/08/04/15/685080415.db2.gz TXMHAGSFWZTUOX-SECBINFHSA-N -1 3 349.307 -1.420 20 0 EAADHM O=C(NCc1nc(CNCc2cnon2)cc(=O)[n-]1)[C@@H]1COC(=O)N1 ZINC001087256476 685080442 /nfs/dbraw/zinc/08/04/42/685080442.db2.gz TXMHAGSFWZTUOX-VIFPVBQESA-N -1 3 349.307 -1.420 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)c1cncnc1 ZINC001087256567 685080734 /nfs/dbraw/zinc/08/07/34/685080734.db2.gz ZFQFCEYNAUOSIW-LLVKDONJSA-N -1 3 343.347 -1.120 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)c1cncnc1 ZINC001087256568 685080315 /nfs/dbraw/zinc/08/03/15/685080315.db2.gz ZFQFCEYNAUOSIW-NSHDSACASA-N -1 3 343.347 -1.120 20 0 EAADHM Cn1cnc(C(=O)NCc2nc(CNCc3cnon3)cc(=O)[n-]2)n1 ZINC001087256610 685080247 /nfs/dbraw/zinc/08/02/47/685080247.db2.gz BEUSFFQKZPBSSP-UHFFFAOYSA-N -1 3 345.323 -1.087 20 0 EAADHM Cn1nncc1C(=O)NCc1nc(CNCc2cnon2)cc(=O)[n-]1 ZINC001087256670 685080922 /nfs/dbraw/zinc/08/09/22/685080922.db2.gz FGUUASLUQMCJBE-UHFFFAOYSA-N -1 3 345.323 -1.087 20 0 EAADHM Cn1cc(C(=O)NCc2nc(CN[C@@H]3CCNC3=O)cc(=O)[n-]2)nn1 ZINC001087256707 685080329 /nfs/dbraw/zinc/08/03/29/685080329.db2.gz GNNNBKLJKWBAPV-SECBINFHSA-N -1 3 346.351 -1.781 20 0 EAADHM Cn1cc(C(=O)NCc2nc(CN[C@H]3CCNC3=O)cc(=O)[n-]2)nn1 ZINC001087256708 685080779 /nfs/dbraw/zinc/08/07/79/685080779.db2.gz GNNNBKLJKWBAPV-VIFPVBQESA-N -1 3 346.351 -1.781 20 0 EAADHM Cn1nnnc1CNCc1cc(=O)[n-]c(CNC(=O)c2ncc[nH]2)n1 ZINC001087256794 685081518 /nfs/dbraw/zinc/08/15/18/685081518.db2.gz LIPZQRJCQXOMRF-UHFFFAOYSA-N -1 3 344.339 -1.351 20 0 EAADHM Cn1nncc1C(=O)NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087256843 685081933 /nfs/dbraw/zinc/08/19/33/685081933.db2.gz NVMMBJUMMGZHDG-SECBINFHSA-N -1 3 346.351 -1.781 20 0 EAADHM Cn1nncc1C(=O)NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087256844 685081303 /nfs/dbraw/zinc/08/13/03/685081303.db2.gz NVMMBJUMMGZHDG-VIFPVBQESA-N -1 3 346.351 -1.781 20 0 EAADHM Cn1cc(C(=O)NCc2nc(CNCc3cnon3)cc(=O)[n-]2)nn1 ZINC001087256886 685081876 /nfs/dbraw/zinc/08/18/76/685081876.db2.gz PUQGHIGJUOMGBN-UHFFFAOYSA-N -1 3 345.323 -1.087 20 0 EAADHM Cn1cnc(C(=O)NCc2nc(CN[C@@H]3CCNC3=O)cc(=O)[n-]2)n1 ZINC001087256887 685081322 /nfs/dbraw/zinc/08/13/22/685081322.db2.gz PXMDVFUTTYBNDX-SECBINFHSA-N -1 3 346.351 -1.781 20 0 EAADHM Cn1cnc(C(=O)NCc2nc(CN[C@H]3CCNC3=O)cc(=O)[n-]2)n1 ZINC001087256888 685081294 /nfs/dbraw/zinc/08/12/94/685081294.db2.gz PXMDVFUTTYBNDX-VIFPVBQESA-N -1 3 346.351 -1.781 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)c1ncc[nH]1 ZINC001087256922 685081275 /nfs/dbraw/zinc/08/12/75/685081275.db2.gz RFKSOGGZBUKANT-SECBINFHSA-N -1 3 331.336 -1.187 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)c1ncc[nH]1 ZINC001087256923 685081592 /nfs/dbraw/zinc/08/15/92/685081592.db2.gz RFKSOGGZBUKANT-VIFPVBQESA-N -1 3 331.336 -1.187 20 0 EAADHM Cn1nnc(CNCc2cc(=O)[n-]c(CNC(=O)c3ncc[nH]3)n2)n1 ZINC001087256936 685081946 /nfs/dbraw/zinc/08/19/46/685081946.db2.gz RJCLOFPCKSWMPX-UHFFFAOYSA-N -1 3 344.339 -1.351 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)[C@]12C[C@H]1COC2 ZINC001087257474 685081351 /nfs/dbraw/zinc/08/13/51/685081351.db2.gz VJHYXWXPQRYBNT-QEKSWQHZSA-N -1 3 347.375 -1.187 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)[C@]12C[C@H]1COC2 ZINC001087257475 685081313 /nfs/dbraw/zinc/08/13/13/685081313.db2.gz VJHYXWXPQRYBNT-ZXLZKYRFSA-N -1 3 347.375 -1.187 20 0 EAADHM O=C(NCc1nc(C[NH2+][C@@H]2CCCNC2=O)cc(=O)[n-]1)c1cnn[n-]1 ZINC001087257733 685081749 /nfs/dbraw/zinc/08/17/49/685081749.db2.gz GRNWOWDKYGCVRA-SECBINFHSA-N -1 3 346.351 -1.402 20 0 EAADHM O=C(NCc1nc(C[NH2+][C@H]2CCCNC2=O)cc(=O)[n-]1)c1cnn[n-]1 ZINC001087257734 685081433 /nfs/dbraw/zinc/08/14/33/685081433.db2.gz GRNWOWDKYGCVRA-VIFPVBQESA-N -1 3 346.351 -1.402 20 0 EAADHM O=C(NCc1nc(C[NH2+][C@@H]2CCNC2=O)cc(=O)[n-]1)c1cnn[n-]1 ZINC001087257781 685081488 /nfs/dbraw/zinc/08/14/88/685081488.db2.gz IGIUANQTGKXKAM-MRVPVSSYSA-N -1 3 332.324 -1.792 20 0 EAADHM O=C(NCc1nc(C[NH2+][C@H]2CCNC2=O)cc(=O)[n-]1)c1cnn[n-]1 ZINC001087257782 685081718 /nfs/dbraw/zinc/08/17/18/685081718.db2.gz IGIUANQTGKXKAM-QMMMGPOBSA-N -1 3 332.324 -1.792 20 0 EAADHM Cn1cncc1C(=O)NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087258038 685081666 /nfs/dbraw/zinc/08/16/66/685081666.db2.gz SCSGZPZTYLFVPA-JTQLQIEISA-N -1 3 345.363 -1.176 20 0 EAADHM Cn1cncc1C(=O)NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087258039 685081614 /nfs/dbraw/zinc/08/16/14/685081614.db2.gz SCSGZPZTYLFVPA-SNVBAGLBSA-N -1 3 345.363 -1.176 20 0 EAADHM CN1CC[C@@H]([NH2+]Cc2cc(=O)[n-]c(CNC(=O)c3cnn[n-]3)n2)C1=O ZINC001087258075 685081809 /nfs/dbraw/zinc/08/18/09/685081809.db2.gz UIMOMPJZZJYTPH-SECBINFHSA-N -1 3 346.351 -1.449 20 0 EAADHM CN1CC[C@H]([NH2+]Cc2cc(=O)[n-]c(CNC(=O)c3cnn[n-]3)n2)C1=O ZINC001087258076 685081331 /nfs/dbraw/zinc/08/13/31/685081331.db2.gz UIMOMPJZZJYTPH-VIFPVBQESA-N -1 3 346.351 -1.449 20 0 EAADHM Cn1nnc(CNCc2cc(=O)[n-]c(CNC(=O)c3cnco3)n2)n1 ZINC001087258850 685081765 /nfs/dbraw/zinc/08/17/65/685081765.db2.gz FTDZWHQAOVKLDV-UHFFFAOYSA-N -1 3 345.323 -1.087 20 0 EAADHM Cn1nnnc1CNCc1cc(=O)[n-]c(CNC(=O)c2cnco2)n1 ZINC001087258903 685081600 /nfs/dbraw/zinc/08/16/00/685081600.db2.gz IPOYQPSQLUVWSK-UHFFFAOYSA-N -1 3 345.323 -1.087 20 0 EAADHM O=C(NCc1nc(CNCc2cnon2)cc(=O)[n-]1)[C@H]1CCNC1=O ZINC001087258931 685081646 /nfs/dbraw/zinc/08/16/46/685081646.db2.gz KUVKQQYLQQJEPQ-JTQLQIEISA-N -1 3 347.335 -1.393 20 0 EAADHM O=C(NCc1nc(CNCc2cnon2)cc(=O)[n-]1)[C@@H]1CCNC1=O ZINC001087258932 685081505 /nfs/dbraw/zinc/08/15/05/685081505.db2.gz KUVKQQYLQQJEPQ-SNVBAGLBSA-N -1 3 347.335 -1.393 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)[C@@H]1CCNC1=O ZINC001087258971 685081342 /nfs/dbraw/zinc/08/13/42/685081342.db2.gz NKTOQFXCQCSTCB-NXEZZACHSA-N -1 3 348.363 -2.087 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)[C@H]1CCNC1=O ZINC001087258972 685081391 /nfs/dbraw/zinc/08/13/91/685081391.db2.gz NKTOQFXCQCSTCB-UWVGGRQHSA-N -1 3 348.363 -2.087 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)[C@H]1CCNC1=O ZINC001087258973 685081743 /nfs/dbraw/zinc/08/17/43/685081743.db2.gz NKTOQFXCQCSTCB-VHSXEESVSA-N -1 3 348.363 -2.087 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)[C@@H]1CCNC1=O ZINC001087258974 685081559 /nfs/dbraw/zinc/08/15/59/685081559.db2.gz NKTOQFXCQCSTCB-ZJUUUORDSA-N -1 3 348.363 -2.087 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)c1csnn1 ZINC001087258980 685081917 /nfs/dbraw/zinc/08/19/17/685081917.db2.gz NSHXBZFPYOLTGY-MRVPVSSYSA-N -1 3 349.376 -1.058 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)c1csnn1 ZINC001087258981 685081415 /nfs/dbraw/zinc/08/14/15/685081415.db2.gz NSHXBZFPYOLTGY-QMMMGPOBSA-N -1 3 349.376 -1.058 20 0 EAADHM Cn1nnc(C(=O)NCc2nc(CNCc3ccon3)cc(=O)[n-]2)n1 ZINC001087259150 685081635 /nfs/dbraw/zinc/08/16/35/685081635.db2.gz BQQFOVGBOWSLLX-UHFFFAOYSA-N -1 3 345.323 -1.087 20 0 EAADHM Cn1nnc(C(=O)NCc2nc(CNCc3cnon3)cc(=O)[n-]2)n1 ZINC001087259191 685081575 /nfs/dbraw/zinc/08/15/75/685081575.db2.gz DNUZKKMITVADBO-UHFFFAOYSA-N -1 3 346.311 -1.692 20 0 EAADHM O=C(NCc1nc(CNCc2cnon2)cc(=O)[n-]1)[C@H]1CNC(=O)N1 ZINC001087259306 685081799 /nfs/dbraw/zinc/08/17/99/685081799.db2.gz IYAPWRVCVXQVEV-SECBINFHSA-N -1 3 348.323 -1.847 20 0 EAADHM O=C(NCc1nc(CNCc2cnon2)cc(=O)[n-]1)[C@@H]1CNC(=O)N1 ZINC001087259307 685081858 /nfs/dbraw/zinc/08/18/58/685081858.db2.gz IYAPWRVCVXQVEV-VIFPVBQESA-N -1 3 348.323 -1.847 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)c1n[nH]cc1F ZINC001087259313 685081833 /nfs/dbraw/zinc/08/18/33/685081833.db2.gz JMXXQQZTHHHLIH-SECBINFHSA-N -1 3 349.326 -1.048 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)c1n[nH]cc1F ZINC001087259314 685081626 /nfs/dbraw/zinc/08/16/26/685081626.db2.gz JMXXQQZTHHHLIH-VIFPVBQESA-N -1 3 349.326 -1.048 20 0 EAADHM Cn1nnc(C(=O)NCc2nc(CN[C@@H]3CCNC3=O)cc(=O)[n-]2)n1 ZINC001087259333 685081268 /nfs/dbraw/zinc/08/12/68/685081268.db2.gz KEFYMQYVOPGBKQ-MRVPVSSYSA-N -1 3 347.339 -2.386 20 0 EAADHM Cn1nnc(C(=O)NCc2nc(CN[C@H]3CCNC3=O)cc(=O)[n-]2)n1 ZINC001087259334 685081785 /nfs/dbraw/zinc/08/17/85/685081785.db2.gz KEFYMQYVOPGBKQ-QMMMGPOBSA-N -1 3 347.339 -2.386 20 0 EAADHM O=C(NCc1nc(CNCc2ccon2)cc(=O)[n-]1)[C@@H]1CNC(=O)N1 ZINC001087259337 685081694 /nfs/dbraw/zinc/08/16/94/685081694.db2.gz KKMGYJACLKSBBK-JTQLQIEISA-N -1 3 347.335 -1.242 20 0 EAADHM O=C(NCc1nc(CNCc2ccon2)cc(=O)[n-]1)[C@H]1CNC(=O)N1 ZINC001087259338 685082552 /nfs/dbraw/zinc/08/25/52/685082552.db2.gz KKMGYJACLKSBBK-SNVBAGLBSA-N -1 3 347.335 -1.242 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001087259406 685082336 /nfs/dbraw/zinc/08/23/36/685082336.db2.gz NHLGFGYBYCYGFK-BBGACYKPSA-N -1 3 347.375 -1.331 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001087259407 685082207 /nfs/dbraw/zinc/08/22/07/685082207.db2.gz NHLGFGYBYCYGFK-DEKYYXRVSA-N -1 3 347.375 -1.331 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)[C@@H]1CNC(=O)N1 ZINC001087259556 685082274 /nfs/dbraw/zinc/08/22/74/685082274.db2.gz UQJDFCWJGCTXSR-BDAKNGLRSA-N -1 3 349.351 -2.542 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)[C@H]1CNC(=O)N1 ZINC001087259557 685083139 /nfs/dbraw/zinc/08/31/39/685083139.db2.gz UQJDFCWJGCTXSR-DTWKUNHWSA-N -1 3 349.351 -2.542 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)[C@@H]1CNC(=O)N1 ZINC001087259558 685082776 /nfs/dbraw/zinc/08/27/76/685082776.db2.gz UQJDFCWJGCTXSR-IUCAKERBSA-N -1 3 349.351 -2.542 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)[C@H]1CNC(=O)N1 ZINC001087259559 685082791 /nfs/dbraw/zinc/08/27/91/685082791.db2.gz UQJDFCWJGCTXSR-RKDXNWHRSA-N -1 3 349.351 -2.542 20 0 EAADHM NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc(CNCc2cnon2)cc(=O)[n-]1 ZINC001087259980 685082858 /nfs/dbraw/zinc/08/28/58/685082858.db2.gz QPTNHELXOPEFEW-ZJUUUORDSA-N -1 3 347.335 -1.407 20 0 EAADHM NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087260133 685082222 /nfs/dbraw/zinc/08/22/22/685082222.db2.gz YWWVDFNVWFMAJB-KXUCPTDWSA-N -1 3 348.363 -2.102 20 0 EAADHM NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1 ZINC001087260134 685082639 /nfs/dbraw/zinc/08/26/39/685082639.db2.gz YWWVDFNVWFMAJB-UTLUCORTSA-N -1 3 348.363 -2.102 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)c1ccnnc1 ZINC001087260626 685082951 /nfs/dbraw/zinc/08/29/51/685082951.db2.gz VAUBZDRHCQMXGX-LLVKDONJSA-N -1 3 343.347 -1.120 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)c1ccnnc1 ZINC001087260627 685082844 /nfs/dbraw/zinc/08/28/44/685082844.db2.gz VAUBZDRHCQMXGX-NSHDSACASA-N -1 3 343.347 -1.120 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCNC2=O)cc(=O)[n-]1)c1cnon1 ZINC001087260802 685082441 /nfs/dbraw/zinc/08/24/41/685082441.db2.gz DHKURUKZACZJQH-MRVPVSSYSA-N -1 3 333.308 -1.527 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCNC2=O)cc(=O)[n-]1)c1cnon1 ZINC001087260803 685083081 /nfs/dbraw/zinc/08/30/81/685083081.db2.gz DHKURUKZACZJQH-QMMMGPOBSA-N -1 3 333.308 -1.527 20 0 EAADHM CN1CC[C@@H]([NH2+]Cc2cc(=O)[n-]c(CNC(=O)c3ncn[n-]3)n2)C1=O ZINC001087260828 685082997 /nfs/dbraw/zinc/08/29/97/685082997.db2.gz FKYMMZYQKHLCPD-SECBINFHSA-N -1 3 346.351 -1.449 20 0 EAADHM CN1CC[C@H]([NH2+]Cc2cc(=O)[n-]c(CNC(=O)c3ncn[n-]3)n2)C1=O ZINC001087260829 685083321 /nfs/dbraw/zinc/08/33/21/685083321.db2.gz FKYMMZYQKHLCPD-VIFPVBQESA-N -1 3 346.351 -1.449 20 0 EAADHM O=C(NCc1nc(C[NH2+][C@@H]2CCCNC2=O)cc(=O)[n-]1)c1ncn[n-]1 ZINC001087260833 685082186 /nfs/dbraw/zinc/08/21/86/685082186.db2.gz FRGIWCWYBJQUOG-SECBINFHSA-N -1 3 346.351 -1.402 20 0 EAADHM O=C(NCc1nc(C[NH2+][C@H]2CCCNC2=O)cc(=O)[n-]1)c1ncn[n-]1 ZINC001087260834 685083365 /nfs/dbraw/zinc/08/33/65/685083365.db2.gz FRGIWCWYBJQUOG-VIFPVBQESA-N -1 3 346.351 -1.402 20 0 EAADHM Cn1nnc(CNCc2cc(=O)[n-]c(CNC(=O)c3cnon3)n2)n1 ZINC001087260868 685082321 /nfs/dbraw/zinc/08/23/21/685082321.db2.gz HSXQXSACNHDFKJ-UHFFFAOYSA-N -1 3 346.311 -1.692 20 0 EAADHM O=C(NCc1nc(CN[C@@H]2CCCNC2=O)cc(=O)[n-]1)c1cnon1 ZINC001087260870 685083284 /nfs/dbraw/zinc/08/32/84/685083284.db2.gz HTGQSMJTANNVFH-SECBINFHSA-N -1 3 347.335 -1.137 20 0 EAADHM O=C(NCc1nc(CN[C@H]2CCCNC2=O)cc(=O)[n-]1)c1cnon1 ZINC001087260871 685083304 /nfs/dbraw/zinc/08/33/04/685083304.db2.gz HTGQSMJTANNVFH-VIFPVBQESA-N -1 3 347.335 -1.137 20 0 EAADHM Cn1ncc(C(=O)NCc2nc(CN[C@@H]3CCNC3=O)cc(=O)[n-]2)n1 ZINC001087260941 685082901 /nfs/dbraw/zinc/08/29/01/685082901.db2.gz LBRBJUHLJMHVQC-SECBINFHSA-N -1 3 346.351 -1.781 20 0 EAADHM Cn1ncc(C(=O)NCc2nc(CN[C@H]3CCNC3=O)cc(=O)[n-]2)n1 ZINC001087260942 685082469 /nfs/dbraw/zinc/08/24/69/685082469.db2.gz LBRBJUHLJMHVQC-VIFPVBQESA-N -1 3 346.351 -1.781 20 0 EAADHM 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STFPYJFUOBQIND-CMPLNLGQSA-N -1 3 349.391 -1.029 20 0 EAADHM CNC(=O)CN1CC[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H](O)C1 ZINC001090342950 786299922 /nfs/dbraw/zinc/29/99/22/786299922.db2.gz STFPYJFUOBQIND-JQWIXIFHSA-N -1 3 349.391 -1.029 20 0 EAADHM CNC(=O)CN1CC[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H](O)C1 ZINC001090342951 786299276 /nfs/dbraw/zinc/29/92/76/786299276.db2.gz STFPYJFUOBQIND-PWSUYJOCSA-N -1 3 349.391 -1.029 20 0 EAADHM CNC(=O)CN1CC[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@H](O)C1 ZINC001090342952 786299066 /nfs/dbraw/zinc/29/90/66/786299066.db2.gz STFPYJFUOBQIND-ZYHUDNBSSA-N -1 3 349.391 -1.029 20 0 EAADHM O=C(CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)N1CCC1 ZINC001090348553 786303552 /nfs/dbraw/zinc/30/35/52/786303552.db2.gz CSSSCSQTXNKEIF-NEPJUHHUSA-N -1 3 335.364 -1.421 20 0 EAADHM O=C(CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1)N1CCC1 ZINC001090348554 786303613 /nfs/dbraw/zinc/30/36/13/786303613.db2.gz CSSSCSQTXNKEIF-NWDGAFQWSA-N -1 3 335.364 -1.421 20 0 EAADHM O=C(CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)N1CCC1 ZINC001090348555 786303123 /nfs/dbraw/zinc/30/31/23/786303123.db2.gz CSSSCSQTXNKEIF-RYUDHWBXSA-N -1 3 335.364 -1.421 20 0 EAADHM O=C(CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1)N1CCC1 ZINC001090348556 786303172 /nfs/dbraw/zinc/30/31/72/786303172.db2.gz CSSSCSQTXNKEIF-VXGBXAGGSA-N -1 3 335.364 -1.421 20 0 EAADHM Cn1cc(CN2CC[C@@H](NC(=O)c3cnc[n-]c3=O)[C@@H](O)C2)nn1 ZINC001090348805 786303582 /nfs/dbraw/zinc/30/35/82/786303582.db2.gz FVRJBCAWEQQIAZ-NEPJUHHUSA-N -1 3 333.352 -1.324 20 0 EAADHM Cn1cc(CN2CC[C@H](NC(=O)c3cnc[n-]c3=O)[C@H](O)C2)nn1 ZINC001090348806 786302820 /nfs/dbraw/zinc/30/28/20/786302820.db2.gz FVRJBCAWEQQIAZ-NWDGAFQWSA-N -1 3 333.352 -1.324 20 0 EAADHM Cn1cc(CN2CC[C@H](NC(=O)c3cnc[n-]c3=O)[C@@H](O)C2)nn1 ZINC001090348807 786302389 /nfs/dbraw/zinc/30/23/89/786302389.db2.gz FVRJBCAWEQQIAZ-RYUDHWBXSA-N -1 3 333.352 -1.324 20 0 EAADHM Cn1cc(CN2CC[C@@H](NC(=O)c3cnc[n-]c3=O)[C@H](O)C2)nn1 ZINC001090348808 786302439 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NC(=O)CNCc1cn([C@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)nn1 ZINC001098685704 792050228 /nfs/dbraw/zinc/05/02/28/792050228.db2.gz OIBOMHOBAXMWFL-JTQLQIEISA-N -1 3 346.351 -1.564 20 0 EAADHM NC(=O)CNCc1cn([C@@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)nn1 ZINC001098685705 792049432 /nfs/dbraw/zinc/04/94/32/792049432.db2.gz OIBOMHOBAXMWFL-SNVBAGLBSA-N -1 3 346.351 -1.564 20 0 EAADHM O=C(N[C@]12CCC[C@H]1CN([C@@H]1CCNC1=O)C2)c1n[nH]c(=O)[n-]c1=O ZINC001098923357 792064240 /nfs/dbraw/zinc/06/42/40/792064240.db2.gz KFBBRQLWZJMYQR-QQXLSSBLSA-N -1 3 348.363 -1.244 20 0 EAADHM O=C(N[C@]12CCC[C@H]1CN([C@H]1CCNC1=O)C2)c1n[nH]c(=O)[n-]c1=O ZINC001098923358 792062821 /nfs/dbraw/zinc/06/28/21/792062821.db2.gz KFBBRQLWZJMYQR-UTEYVOQOSA-N -1 3 348.363 -1.244 20 0 EAADHM Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)Cc3nc[nH]n3)C2)nc1=O ZINC001099113544 792067399 /nfs/dbraw/zinc/06/73/99/792067399.db2.gz TUFYVOLNAWVRNP-BONVTDFDSA-N -1 3 346.395 -1.060 20 0 EAADHM NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001099118498 792068184 /nfs/dbraw/zinc/06/81/84/792068184.db2.gz QWHWLXWKVKHSIA-VFZGTOFNSA-N -1 3 345.363 -1.513 20 0 EAADHM O=C(c1n[nH]c(=O)[n-]c1=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099274800 786025795 /nfs/dbraw/zinc/02/57/95/786025795.db2.gz WXYHVCMLVCGBKP-PHDIDXHHSA-N -1 3 337.258 -1.132 20 0 EAADHM O=C(Cn1cnnn1)N1C[C@@H]2CCC[C@]2(CNCc2n[nH]c(=O)[n-]2)C1 ZINC001099370549 792074366 /nfs/dbraw/zinc/07/43/66/792074366.db2.gz MTGASLSQAPLUJO-HZMBPMFUSA-N -1 3 347.383 -1.085 20 0 EAADHM O=C(Cn1ncnn1)N1C[C@@H]2CCC[C@]2(CNCc2n[nH]c(=O)[n-]2)C1 ZINC001099434791 792075874 /nfs/dbraw/zinc/07/58/74/792075874.db2.gz HECIIQLRSPIVQI-HZMBPMFUSA-N -1 3 347.383 -1.085 20 0 EAADHM O=C([C@H]1CNC(=O)N1)N1C[C@@H]2CCC[C@]2(CNCc2n[nH]c(=O)[n-]2)C1 ZINC001099486410 792074861 /nfs/dbraw/zinc/07/48/61/792074861.db2.gz ZBDOFHBZLRUGEB-WMFXKJRFSA-N -1 3 349.395 -1.090 20 0 EAADHM O=C([C@@H]1CNC(=O)N1)N1C[C@@H]2CCC[C@]2(CNCc2n[nH]c(=O)[n-]2)C1 ZINC001099486411 792075221 /nfs/dbraw/zinc/07/52/21/792075221.db2.gz ZBDOFHBZLRUGEB-YHAQOWFVSA-N -1 3 349.395 -1.090 20 0 EAADHM NC(=O)NC(=O)CN1CC[C@H](NC(=O)c2ccccc2[O-])[C@H](O)C1 ZINC001099678359 792109288 /nfs/dbraw/zinc/10/92/88/792109288.db2.gz JRQINIKDQHXZFL-CMPLNLGQSA-N -1 3 336.348 -1.248 20 0 EAADHM NC(=O)NC(=O)CN1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001099678360 792110678 /nfs/dbraw/zinc/11/06/78/792110678.db2.gz JRQINIKDQHXZFL-JQWIXIFHSA-N -1 3 336.348 -1.248 20 0 EAADHM NC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001099678361 792109852 /nfs/dbraw/zinc/10/98/52/792109852.db2.gz JRQINIKDQHXZFL-PWSUYJOCSA-N -1 3 336.348 -1.248 20 0 EAADHM NC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](O)C1 ZINC001099678362 792109521 /nfs/dbraw/zinc/10/95/21/792109521.db2.gz JRQINIKDQHXZFL-ZYHUDNBSSA-N -1 3 336.348 -1.248 20 0 EAADHM NC(=O)CC(=O)N[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001099758897 792147081 /nfs/dbraw/zinc/14/70/81/792147081.db2.gz ZIPZIOCXYGJVFY-NEPJUHHUSA-N -1 3 349.391 -1.014 20 0 EAADHM NC(=O)CC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001099758898 792146435 /nfs/dbraw/zinc/14/64/35/792146435.db2.gz ZIPZIOCXYGJVFY-NWDGAFQWSA-N -1 3 349.391 -1.014 20 0 EAADHM NC(=O)CC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001099758899 792146576 /nfs/dbraw/zinc/14/65/76/792146576.db2.gz ZIPZIOCXYGJVFY-RYUDHWBXSA-N -1 3 349.391 -1.014 20 0 EAADHM NC(=O)CC(=O)N[C@@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001099758900 792146039 /nfs/dbraw/zinc/14/60/39/792146039.db2.gz ZIPZIOCXYGJVFY-VXGBXAGGSA-N -1 3 349.391 -1.014 20 0 EAADHM O=C(N[C@H]1CCN(CCOCCO)C[C@@H]1O)c1ncccc1[O-] ZINC001099784062 786327571 /nfs/dbraw/zinc/32/75/71/786327571.db2.gz YZKUHDVSBOULBY-AAEUAGOBSA-N -1 3 325.365 -1.039 20 0 EAADHM O=C(N[C@@H]1CCN(CCOCCO)C[C@H]1O)c1ncccc1[O-] ZINC001099784064 786328856 /nfs/dbraw/zinc/32/88/56/786328856.db2.gz YZKUHDVSBOULBY-DGCLKSJQSA-N -1 3 325.365 -1.039 20 0 EAADHM O=C(N[C@H]1CCN(CCOCCO)C[C@H]1O)c1ncccc1[O-] ZINC001099784066 786328824 /nfs/dbraw/zinc/32/88/24/786328824.db2.gz YZKUHDVSBOULBY-WCQYABFASA-N -1 3 325.365 -1.039 20 0 EAADHM O=C(N[C@@H]1CCN(CCOCCO)C[C@@H]1O)c1ncccc1[O-] ZINC001099784070 786327507 /nfs/dbraw/zinc/32/75/07/786327507.db2.gz YZKUHDVSBOULBY-YPMHNXCESA-N -1 3 325.365 -1.039 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H](NC(=O)CCc3cnc[nH]3)[C@@H](O)C2)nc1=O ZINC001099872372 792212915 /nfs/dbraw/zinc/21/29/15/792212915.db2.gz SVIJCRMGMQTUEN-NEPJUHHUSA-N -1 3 349.395 -1.484 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H](NC(=O)CCc3c[nH]cn3)[C@@H](O)C2)nc1=O ZINC001099872372 792212911 /nfs/dbraw/zinc/21/29/11/792212911.db2.gz SVIJCRMGMQTUEN-NEPJUHHUSA-N -1 3 349.395 -1.484 20 0 EAADHM Cn1[n-]c(CN2CC[C@H](NC(=O)CCc3cnc[nH]3)[C@H](O)C2)nc1=O ZINC001099872373 792213278 /nfs/dbraw/zinc/21/32/78/792213278.db2.gz SVIJCRMGMQTUEN-NWDGAFQWSA-N -1 3 349.395 -1.484 20 0 EAADHM Cn1[n-]c(CN2CC[C@H](NC(=O)CCc3c[nH]cn3)[C@H](O)C2)nc1=O ZINC001099872373 792213272 /nfs/dbraw/zinc/21/32/72/792213272.db2.gz SVIJCRMGMQTUEN-NWDGAFQWSA-N -1 3 349.395 -1.484 20 0 EAADHM Cn1[n-]c(CN2CC[C@H](NC(=O)CCc3cnc[nH]3)[C@@H](O)C2)nc1=O ZINC001099872374 792212985 /nfs/dbraw/zinc/21/29/85/792212985.db2.gz SVIJCRMGMQTUEN-RYUDHWBXSA-N -1 3 349.395 -1.484 20 0 EAADHM Cn1[n-]c(CN2CC[C@H](NC(=O)CCc3c[nH]cn3)[C@@H](O)C2)nc1=O ZINC001099872374 792212976 /nfs/dbraw/zinc/21/29/76/792212976.db2.gz SVIJCRMGMQTUEN-RYUDHWBXSA-N -1 3 349.395 -1.484 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H](NC(=O)CCc3cnc[nH]3)[C@H](O)C2)nc1=O ZINC001099872375 792213165 /nfs/dbraw/zinc/21/31/65/792213165.db2.gz SVIJCRMGMQTUEN-VXGBXAGGSA-N -1 3 349.395 -1.484 20 0 EAADHM Cn1[n-]c(CN2CC[C@@H](NC(=O)CCc3c[nH]cn3)[C@H](O)C2)nc1=O ZINC001099872375 792213160 /nfs/dbraw/zinc/21/31/60/792213160.db2.gz SVIJCRMGMQTUEN-VXGBXAGGSA-N -1 3 349.395 -1.484 20 0 EAADHM NC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001099887258 792221753 /nfs/dbraw/zinc/22/17/53/792221753.db2.gz BOHASICPGNNNBP-BDAKNGLRSA-N -1 3 338.324 -2.458 20 0 EAADHM NC(=O)NC(=O)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC001099887259 792220682 /nfs/dbraw/zinc/22/06/82/792220682.db2.gz BOHASICPGNNNBP-DTWKUNHWSA-N -1 3 338.324 -2.458 20 0 EAADHM NC(=O)NC(=O)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001099887260 792221992 /nfs/dbraw/zinc/22/19/92/792221992.db2.gz BOHASICPGNNNBP-IUCAKERBSA-N -1 3 338.324 -2.458 20 0 EAADHM NC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC001099887261 792219831 /nfs/dbraw/zinc/21/98/31/792219831.db2.gz BOHASICPGNNNBP-RKDXNWHRSA-N -1 3 338.324 -2.458 20 0 EAADHM CCN(C)C(=O)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001099887382 792223748 /nfs/dbraw/zinc/22/37/48/792223748.db2.gz DJRRWHSXSCHVBN-NEPJUHHUSA-N -1 3 337.380 -1.175 20 0 EAADHM CCN(C)C(=O)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC001099887383 792222772 /nfs/dbraw/zinc/22/27/72/792222772.db2.gz DJRRWHSXSCHVBN-NWDGAFQWSA-N -1 3 337.380 -1.175 20 0 EAADHM CCN(C)C(=O)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001099887384 792224370 /nfs/dbraw/zinc/22/43/70/792224370.db2.gz DJRRWHSXSCHVBN-RYUDHWBXSA-N -1 3 337.380 -1.175 20 0 EAADHM CCN(C)C(=O)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC001099887385 792224339 /nfs/dbraw/zinc/22/43/39/792224339.db2.gz DJRRWHSXSCHVBN-VXGBXAGGSA-N -1 3 337.380 -1.175 20 0 EAADHM O=C(CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1)NCC1CC1 ZINC001099887726 792222867 /nfs/dbraw/zinc/22/28/67/792222867.db2.gz JYQSMNDEVLFDJJ-CHWSQXEVSA-N -1 3 349.391 -1.127 20 0 EAADHM O=C(CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)NCC1CC1 ZINC001099887727 792223238 /nfs/dbraw/zinc/22/32/38/792223238.db2.gz JYQSMNDEVLFDJJ-OLZOCXBDSA-N -1 3 349.391 -1.127 20 0 EAADHM O=C(CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1)NCC1CC1 ZINC001099887728 792223453 /nfs/dbraw/zinc/22/34/53/792223453.db2.gz JYQSMNDEVLFDJJ-QWHCGFSZSA-N -1 3 349.391 -1.127 20 0 EAADHM O=C(CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)NCC1CC1 ZINC001099887729 792222676 /nfs/dbraw/zinc/22/26/76/792222676.db2.gz JYQSMNDEVLFDJJ-STQMWFEESA-N -1 3 349.391 -1.127 20 0 EAADHM O=C(N[C@@H]1CCN(CCNC(=O)C2CC2)C[C@H]1O)c1cnc[n-]c1=O ZINC001099887754 792224511 /nfs/dbraw/zinc/22/45/11/792224511.db2.gz KJPRNORQRYJSFF-CHWSQXEVSA-N -1 3 349.391 -1.127 20 0 EAADHM O=C(N[C@@H]1CCN(CCNC(=O)C2CC2)C[C@@H]1O)c1cnc[n-]c1=O ZINC001099887755 792224293 /nfs/dbraw/zinc/22/42/93/792224293.db2.gz KJPRNORQRYJSFF-OLZOCXBDSA-N -1 3 349.391 -1.127 20 0 EAADHM O=C(N[C@H]1CCN(CCNC(=O)C2CC2)C[C@H]1O)c1cnc[n-]c1=O ZINC001099887756 792223373 /nfs/dbraw/zinc/22/33/73/792223373.db2.gz KJPRNORQRYJSFF-QWHCGFSZSA-N -1 3 349.391 -1.127 20 0 EAADHM O=C(N[C@H]1CCN(CCNC(=O)C2CC2)C[C@@H]1O)c1cnc[n-]c1=O ZINC001099887757 792224094 /nfs/dbraw/zinc/22/40/94/792224094.db2.gz KJPRNORQRYJSFF-STQMWFEESA-N -1 3 349.391 -1.127 20 0 EAADHM CCCNC(=O)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001099888014 792224006 /nfs/dbraw/zinc/22/40/06/792224006.db2.gz NUCWGBHPCNSGRE-NEPJUHHUSA-N -1 3 337.380 -1.127 20 0 EAADHM CCCNC(=O)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC001099888015 792223346 /nfs/dbraw/zinc/22/33/46/792223346.db2.gz NUCWGBHPCNSGRE-NWDGAFQWSA-N -1 3 337.380 -1.127 20 0 EAADHM CCCNC(=O)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001099888016 792224268 /nfs/dbraw/zinc/22/42/68/792224268.db2.gz NUCWGBHPCNSGRE-RYUDHWBXSA-N -1 3 337.380 -1.127 20 0 EAADHM CCCNC(=O)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC001099888017 792224402 /nfs/dbraw/zinc/22/44/02/792224402.db2.gz NUCWGBHPCNSGRE-VXGBXAGGSA-N -1 3 337.380 -1.127 20 0 EAADHM CC(C)NC(=O)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001099888470 792225729 /nfs/dbraw/zinc/22/57/29/792225729.db2.gz WOVVTWWZIGBMHJ-NEPJUHHUSA-N -1 3 337.380 -1.128 20 0 EAADHM CC(C)NC(=O)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC001099888471 792226215 /nfs/dbraw/zinc/22/62/15/792226215.db2.gz WOVVTWWZIGBMHJ-NWDGAFQWSA-N -1 3 337.380 -1.128 20 0 EAADHM CC(C)NC(=O)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001099888472 792226080 /nfs/dbraw/zinc/22/60/80/792226080.db2.gz WOVVTWWZIGBMHJ-RYUDHWBXSA-N -1 3 337.380 -1.128 20 0 EAADHM CC(C)NC(=O)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC001099888473 792225800 /nfs/dbraw/zinc/22/58/00/792225800.db2.gz WOVVTWWZIGBMHJ-VXGBXAGGSA-N -1 3 337.380 -1.128 20 0 EAADHM COCCN1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](O)C1 ZINC001099898873 792233062 /nfs/dbraw/zinc/23/30/62/792233062.db2.gz JBICUOXBDYJVGJ-GHMZBOCLSA-N -1 3 343.384 -1.333 20 0 EAADHM COCCN1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001099898874 792232271 /nfs/dbraw/zinc/23/22/71/792232271.db2.gz JBICUOXBDYJVGJ-MNOVXSKESA-N -1 3 343.384 -1.333 20 0 EAADHM COCCN1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001099898875 792232864 /nfs/dbraw/zinc/23/28/64/792232864.db2.gz JBICUOXBDYJVGJ-QWRGUYRKSA-N -1 3 343.384 -1.333 20 0 EAADHM COCCN1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](O)C1 ZINC001099898876 792232343 /nfs/dbraw/zinc/23/23/43/792232343.db2.gz JBICUOXBDYJVGJ-WDEREUQCSA-N -1 3 343.384 -1.333 20 0 EAADHM 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3 348.429 -1.178 20 0 EAADHM C[C@H](C[C@H](C)NC(=O)CN(C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1 ZINC001134508747 787240009 /nfs/dbraw/zinc/24/00/09/787240009.db2.gz HFXUANRBLDDFJN-BDAKNGLRSA-N -1 3 348.429 -1.225 20 0 EAADHM C[C@H](C[C@H](C)NCc1n[nH]c(=O)[n-]1)NC(=O)CN(C)S(C)(=O)=O ZINC001134508748 787239459 /nfs/dbraw/zinc/23/94/59/787239459.db2.gz HFXUANRBLDDFJN-DTWKUNHWSA-N -1 3 348.429 -1.225 20 0 EAADHM C[C@@H](C[C@H](C)NC(=O)CN(C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1 ZINC001134508749 787239073 /nfs/dbraw/zinc/23/90/73/787239073.db2.gz HFXUANRBLDDFJN-IUCAKERBSA-N -1 3 348.429 -1.225 20 0 EAADHM C[C@H](C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O)NCc1n[nH]c(=O)[n-]1 ZINC001134508750 787240506 /nfs/dbraw/zinc/24/05/06/787240506.db2.gz HFXUANRBLDDFJN-RKDXNWHRSA-N -1 3 348.429 -1.225 20 0 EAADHM COCC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001134508971 787240461 /nfs/dbraw/zinc/24/04/61/787240461.db2.gz LCAPECXMQCYXLW-NXEZZACHSA-N -1 3 342.400 -1.012 20 0 EAADHM 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Cc1cc(C)n(CC(=O)NCCNCc2nc(=O)n(C)[n-]2)c(=O)n1 ZINC001135831505 787321365 /nfs/dbraw/zinc/32/13/65/787321365.db2.gz GAUXLLGIPQJVDV-UHFFFAOYSA-N -1 3 335.368 -1.812 20 0 EAADHM CCOCCn1cc(C(=O)NCCNCc2nc(=O)n(C)[n-]2)cn1 ZINC001135906192 787322180 /nfs/dbraw/zinc/32/21/80/787322180.db2.gz ULQDKLDAFCLQNM-UHFFFAOYSA-N -1 3 337.384 -1.139 20 0 EAADHM CC(C)N(C)C(=O)C1(C(=O)NCCNCc2nc(=O)n(C)[n-]2)CC1 ZINC001135992421 787325411 /nfs/dbraw/zinc/32/54/11/787325411.db2.gz FDZCOCIAAKWGJP-UHFFFAOYSA-N -1 3 338.412 -1.039 20 0 EAADHM Cn1[n-]c(CNCCNC(=O)c2cccc(-n3cncn3)n2)nc1=O ZINC001136019556 787327844 /nfs/dbraw/zinc/32/78/44/787327844.db2.gz PZAHEEABRSLQQC-UHFFFAOYSA-N -1 3 343.351 -1.396 20 0 EAADHM Cn1[n-]c(CNCCNC(=O)CC(=O)NCC(F)(F)F)nc1=O ZINC001136019989 787329382 /nfs/dbraw/zinc/32/93/82/787329382.db2.gz YHIDTOWMSZZGNE-UHFFFAOYSA-N -1 3 338.290 -1.617 20 0 EAADHM C[C@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cnn(C)n1 ZINC001136034616 787329517 /nfs/dbraw/zinc/32/95/17/787329517.db2.gz BRFBLNWNKINPBG-BDAKNGLRSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@H](C)NCc1cnn(C)n1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001136034617 787329844 /nfs/dbraw/zinc/32/98/44/787329844.db2.gz BRFBLNWNKINPBG-DTWKUNHWSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cnn(C)n1 ZINC001136034618 787329499 /nfs/dbraw/zinc/32/94/99/787329499.db2.gz BRFBLNWNKINPBG-IUCAKERBSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cnn(C)n1 ZINC001136034619 787329567 /nfs/dbraw/zinc/32/95/67/787329567.db2.gz BRFBLNWNKINPBG-RKDXNWHRSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nnnn1C ZINC001136035144 787329439 /nfs/dbraw/zinc/32/94/39/787329439.db2.gz KLUMHKLCDPGJHG-HTQZYQBOSA-N -1 3 339.360 -1.714 20 0 EAADHM C[C@H](C[C@H](C)NCc1nnnn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001136035145 787329973 /nfs/dbraw/zinc/32/99/73/787329973.db2.gz KLUMHKLCDPGJHG-JGVFFNPUSA-N -1 3 339.360 -1.714 20 0 EAADHM C[C@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nnnn1C ZINC001136035146 787330390 /nfs/dbraw/zinc/33/03/90/787330390.db2.gz KLUMHKLCDPGJHG-SFYZADRCSA-N -1 3 339.360 -1.714 20 0 EAADHM C[C@@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nnnn1C ZINC001136035147 787329159 /nfs/dbraw/zinc/32/91/59/787329159.db2.gz KLUMHKLCDPGJHG-YUMQZZPRSA-N -1 3 339.360 -1.714 20 0 EAADHM C[C@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nncn1C ZINC001136035300 787329756 /nfs/dbraw/zinc/32/97/56/787329756.db2.gz MQUQESBCOGXIHH-BDAKNGLRSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@H](C)NCc1nncn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001136035301 787330275 /nfs/dbraw/zinc/33/02/75/787330275.db2.gz MQUQESBCOGXIHH-DTWKUNHWSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nncn1C ZINC001136035302 787329235 /nfs/dbraw/zinc/32/92/35/787329235.db2.gz MQUQESBCOGXIHH-IUCAKERBSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1nncn1C ZINC001136035303 787329536 /nfs/dbraw/zinc/32/95/36/787329536.db2.gz MQUQESBCOGXIHH-RKDXNWHRSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cn(C)nn1 ZINC001136035824 787330746 /nfs/dbraw/zinc/33/07/46/787330746.db2.gz RJJHDFXDBPRURR-BDAKNGLRSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@H](C)NCc1cn(C)nn1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001136035825 787332063 /nfs/dbraw/zinc/33/20/63/787332063.db2.gz RJJHDFXDBPRURR-DTWKUNHWSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cn(C)nn1 ZINC001136035826 787330869 /nfs/dbraw/zinc/33/08/69/787330869.db2.gz RJJHDFXDBPRURR-IUCAKERBSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1cn(C)nn1 ZINC001136035827 787331824 /nfs/dbraw/zinc/33/18/24/787331824.db2.gz RJJHDFXDBPRURR-RKDXNWHRSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ncnn1C ZINC001136036380 787331585 /nfs/dbraw/zinc/33/15/85/787331585.db2.gz WBLBSZHHTULFSL-BDAKNGLRSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@H](C)NCc1ncnn1C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001136036381 787331396 /nfs/dbraw/zinc/33/13/96/787331396.db2.gz WBLBSZHHTULFSL-DTWKUNHWSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ncnn1C ZINC001136036382 787331197 /nfs/dbraw/zinc/33/11/97/787331197.db2.gz WBLBSZHHTULFSL-IUCAKERBSA-N -1 3 338.372 -1.109 20 0 EAADHM C[C@H](C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1ncnn1C ZINC001136036383 787331606 /nfs/dbraw/zinc/33/16/06/787331606.db2.gz WBLBSZHHTULFSL-RKDXNWHRSA-N -1 3 338.372 -1.109 20 0 EAADHM Cc1nc2ccnn2cc1C(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001136041720 787331678 /nfs/dbraw/zinc/33/16/78/787331678.db2.gz PYTDBQAFIOGKGN-UHFFFAOYSA-N -1 3 330.352 -1.021 20 0 EAADHM C[C@H](C[C@H](C)NC(=O)CS(=O)(=O)N(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001136062842 787331303 /nfs/dbraw/zinc/33/13/03/787331303.db2.gz HOFCPPAOJSAGCZ-BDAKNGLRSA-N -1 3 348.429 -1.225 20 0 EAADHM C[C@H](C[C@H](C)NCc1n[nH]c(=O)[n-]1)NC(=O)CS(=O)(=O)N(C)C ZINC001136062843 787332028 /nfs/dbraw/zinc/33/20/28/787332028.db2.gz HOFCPPAOJSAGCZ-DTWKUNHWSA-N -1 3 348.429 -1.225 20 0 EAADHM C[C@@H](C[C@H](C)NC(=O)CS(=O)(=O)N(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001136062844 787331246 /nfs/dbraw/zinc/33/12/46/787331246.db2.gz HOFCPPAOJSAGCZ-IUCAKERBSA-N -1 3 348.429 -1.225 20 0 EAADHM C[C@H](C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001136062845 787331349 /nfs/dbraw/zinc/33/13/49/787331349.db2.gz HOFCPPAOJSAGCZ-RKDXNWHRSA-N -1 3 348.429 -1.225 20 0 EAADHM Cn1[n-]c(CNCCNC(=O)C2(N3CCOCC3)CCC2)nc1=O ZINC001136105823 787333220 /nfs/dbraw/zinc/33/32/20/787333220.db2.gz LKEVKVPEBMQNJS-UHFFFAOYSA-N -1 3 338.412 -1.431 20 0 EAADHM Cn1[n-]c(CNCCNC(=O)C2(S(C)(=O)=O)CCC2)nc1=O ZINC001136113655 787333538 /nfs/dbraw/zinc/33/35/38/787333538.db2.gz QCKVEMOHVZWCKA-UHFFFAOYSA-N -1 3 331.398 -1.719 20 0 EAADHM C[C@H](C[C@@H](C)NC(=O)CN1C(=O)CNC1=O)NCc1n[nH]c(=O)[n-]1 ZINC001136127204 787335276 /nfs/dbraw/zinc/33/52/76/787335276.db2.gz LWYXPFNGJQTXBO-HTQZYQBOSA-N -1 3 339.356 -1.565 20 0 EAADHM C[C@H](C[C@H](C)NCc1n[nH]c(=O)[n-]1)NC(=O)CN1C(=O)CNC1=O ZINC001136127205 787334796 /nfs/dbraw/zinc/33/47/96/787334796.db2.gz LWYXPFNGJQTXBO-JGVFFNPUSA-N -1 3 339.356 -1.565 20 0 EAADHM C[C@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)NCc1n[nH]c(=O)[n-]1 ZINC001136127206 787334408 /nfs/dbraw/zinc/33/44/08/787334408.db2.gz LWYXPFNGJQTXBO-SFYZADRCSA-N -1 3 339.356 -1.565 20 0 EAADHM C[C@@H](C[C@H](C)NC(=O)CN1C(=O)CNC1=O)NCc1n[nH]c(=O)[n-]1 ZINC001136127207 787334859 /nfs/dbraw/zinc/33/48/59/787334859.db2.gz LWYXPFNGJQTXBO-YUMQZZPRSA-N -1 3 339.356 -1.565 20 0 EAADHM CCS(=O)(=O)N(C)CC(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001136129159 787336171 /nfs/dbraw/zinc/33/61/71/787336171.db2.gz DZLUHXBVFWHGPH-UHFFFAOYSA-N -1 3 334.402 -2.404 20 0 EAADHM Cc1nc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(=O)[n-]1 ZINC001142384890 793049037 /nfs/dbraw/zinc/04/90/37/793049037.db2.gz YDHLCMMPHHWTER-UHFFFAOYSA-N -1 3 345.319 -1.124 20 0 EAADHM C[C@H]1[C@H](NC(=O)CCN2CCN(C)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001143236739 793055772 /nfs/dbraw/zinc/05/57/72/793055772.db2.gz SNXJBVRRGOHULC-ONGXEEELSA-N -1 3 334.398 -1.858 20 0 EAADHM CCN1CCN(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C(=O)C1=O ZINC001144519196 787465806 /nfs/dbraw/zinc/46/58/06/787465806.db2.gz GNUAQXMMCFDQOU-UHFFFAOYSA-N -1 3 339.377 -1.222 20 0 EAADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cnn(C[C@@H](O)CO)c1 ZINC001144528599 787466538 /nfs/dbraw/zinc/46/65/38/787466538.db2.gz WMPTZMDPHFIMMR-SECBINFHSA-N -1 3 325.350 -1.049 20 0 EAADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cnn(C[C@H](O)CO)c1 ZINC001144528600 787466953 /nfs/dbraw/zinc/46/69/53/787466953.db2.gz WMPTZMDPHFIMMR-VIFPVBQESA-N -1 3 325.350 -1.049 20 0 EAADHM O=C([N-]c1cc(-c2ccncc2)no1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144891740 787476049 /nfs/dbraw/zinc/47/60/49/787476049.db2.gz BBAFKGAPCBTXNY-ADEWGFFLSA-N -1 3 337.288 -1.681 20 0 EAADHM O=C([N-]c1cc(-c2ccncc2)no1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144891741 787475951 /nfs/dbraw/zinc/47/59/51/787475951.db2.gz BBAFKGAPCBTXNY-MVWJERBFSA-N -1 3 337.288 -1.681 20 0 EAADHM O=C([N-]c1cc(-c2ccncc2)no1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144891742 787476647 /nfs/dbraw/zinc/47/66/47/787476647.db2.gz BBAFKGAPCBTXNY-YUSALJHKSA-N -1 3 337.288 -1.681 20 0 EAADHM O=C([N-]c1cc(-c2ccncc2)no1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144891743 787476040 /nfs/dbraw/zinc/47/60/40/787476040.db2.gz BBAFKGAPCBTXNY-ZMLRMANQSA-N -1 3 337.288 -1.681 20 0 EAADHM CC(C)(C)Cc1cc([N-]C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)on1 ZINC001144892057 787476278 /nfs/dbraw/zinc/47/62/78/787476278.db2.gz FZNLZUWAOZTIPA-DVVUODLYSA-N -1 3 330.337 -1.154 20 0 EAADHM CC(C)(C)Cc1cc([N-]C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)on1 ZINC001144892058 787476180 /nfs/dbraw/zinc/47/61/80/787476180.db2.gz FZNLZUWAOZTIPA-FBIMIBRVSA-N -1 3 330.337 -1.154 20 0 EAADHM CC(C)(C)Cc1cc([N-]C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)on1 ZINC001144892059 787475907 /nfs/dbraw/zinc/47/59/07/787475907.db2.gz 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NCc1nc(=O)[n-]n1-c1ncccc1S(=O)(=O)N1CCOCC1 ZINC001157933562 793344227 /nfs/dbraw/zinc/34/42/27/793344227.db2.gz FLSSZDYEJWMYOV-UHFFFAOYSA-N -1 3 340.365 -1.153 20 0 EAADHM NCc1nc(=O)[n-]n1-c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001157940899 793344838 /nfs/dbraw/zinc/34/48/38/793344838.db2.gz LYSABVYNFOHBEF-UHFFFAOYSA-N -1 3 340.365 -1.153 20 0 EAADHM O=C(NCCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158037170 793347047 /nfs/dbraw/zinc/34/70/47/793347047.db2.gz HKNCRSOEYXNUBL-SECBINFHSA-N -1 3 348.367 -1.118 20 0 EAADHM O=C(NCCCNCc1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001158037171 793348578 /nfs/dbraw/zinc/34/85/78/793348578.db2.gz HKNCRSOEYXNUBL-VIFPVBQESA-N -1 3 348.367 -1.118 20 0 EAADHM CC1(C)CC(=O)N(CC(=O)NCCCNCc2n[nH]c(=O)[n-]2)C1=O ZINC001158121777 793351208 /nfs/dbraw/zinc/35/12/08/793351208.db2.gz BLWLEUXGICZOIH-UHFFFAOYSA-N -1 3 338.368 -1.109 20 0 EAADHM CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H](N)Cc1nn[n-]n1)C2 ZINC001158190543 793353904 /nfs/dbraw/zinc/35/39/04/793353904.db2.gz HZHRMDIJZTWHGX-JTQLQIEISA-N -1 3 348.367 -1.125 20 0 EAADHM CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001158190543 793353897 /nfs/dbraw/zinc/35/38/97/793353897.db2.gz HZHRMDIJZTWHGX-JTQLQIEISA-N -1 3 348.367 -1.125 20 0 EAADHM CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H](N)Cc1nn[n-]n1)C2 ZINC001158432868 793359912 /nfs/dbraw/zinc/35/99/12/793359912.db2.gz WJROKZKPYVKXDE-ZETCQYMHSA-N -1 3 335.328 -2.120 20 0 EAADHM CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001158432868 793359901 /nfs/dbraw/zinc/35/99/01/793359901.db2.gz WJROKZKPYVKXDE-ZETCQYMHSA-N -1 3 335.328 -2.120 20 0 EAADHM CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001158459287 793358344 /nfs/dbraw/zinc/35/83/44/793358344.db2.gz PEXROMVDYMARCJ-MRVPVSSYSA-N -1 3 348.319 -1.702 20 0 EAADHM CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001158459288 793359191 /nfs/dbraw/zinc/35/91/91/793359191.db2.gz PEXROMVDYMARCJ-QMMMGPOBSA-N -1 3 348.319 -1.702 20 0 EAADHM CN1C(=O)CN(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001158465176 793358862 /nfs/dbraw/zinc/35/88/62/793358862.db2.gz AVZJQWXINVMCLO-SECBINFHSA-N -1 3 334.336 -1.229 20 0 EAADHM CN1C(=O)CN(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001158465177 793359567 /nfs/dbraw/zinc/35/95/67/793359567.db2.gz AVZJQWXINVMCLO-VIFPVBQESA-N -1 3 334.336 -1.229 20 0 EAADHM CCS(=O)(=O)N[C@H](C)C(=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001158566509 793360682 /nfs/dbraw/zinc/36/06/82/793360682.db2.gz QNXNFKUNGCKEGW-MRVPVSSYSA-N -1 3 334.402 -1.566 20 0 EAADHM CCS(=O)(=O)N[C@@H](C)C(=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001158566510 793360855 /nfs/dbraw/zinc/36/08/55/793360855.db2.gz QNXNFKUNGCKEGW-QMMMGPOBSA-N -1 3 334.402 -1.566 20 0 EAADHM O=C(CNC(=O)c1ccncc1)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001158609353 793362748 /nfs/dbraw/zinc/36/27/48/793362748.db2.gz AELPQFVUIFQZKM-UHFFFAOYSA-N -1 3 333.352 -1.069 20 0 EAADHM CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H](N)Cc1nn[n-]n1)C2 ZINC001158790026 793364579 /nfs/dbraw/zinc/36/45/79/793364579.db2.gz IHWCFMYDDFOMDH-BDAKNGLRSA-N -1 3 335.372 -1.547 20 0 EAADHM CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001158790026 793364572 /nfs/dbraw/zinc/36/45/72/793364572.db2.gz IHWCFMYDDFOMDH-BDAKNGLRSA-N -1 3 335.372 -1.547 20 0 EAADHM CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H](N)Cc1nn[n-]n1)C2 ZINC001158790027 793364203 /nfs/dbraw/zinc/36/42/03/793364203.db2.gz IHWCFMYDDFOMDH-IUCAKERBSA-N -1 3 335.372 -1.547 20 0 EAADHM CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001158790027 793364195 /nfs/dbraw/zinc/36/41/95/793364195.db2.gz IHWCFMYDDFOMDH-IUCAKERBSA-N -1 3 335.372 -1.547 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158822380 793366026 /nfs/dbraw/zinc/36/60/26/793366026.db2.gz VHLJAAZDFIJXJV-JTQLQIEISA-N -1 3 343.351 -1.113 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158822380 793366018 /nfs/dbraw/zinc/36/60/18/793366018.db2.gz VHLJAAZDFIJXJV-JTQLQIEISA-N -1 3 343.351 -1.113 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968438 793369225 /nfs/dbraw/zinc/36/92/25/793369225.db2.gz QIIGWIOJMLVMSF-AXFHLTTASA-N -1 3 345.367 -2.024 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968438 793369213 /nfs/dbraw/zinc/36/92/13/793369213.db2.gz QIIGWIOJMLVMSF-AXFHLTTASA-N -1 3 345.367 -2.024 20 0 EAADHM Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)Cc2nn[n-]n2)cn1 ZINC001159084170 793373397 /nfs/dbraw/zinc/37/33/97/793373397.db2.gz HKWVPNGUZZIPTN-GARJFASQSA-N -1 3 345.367 -1.791 20 0 EAADHM Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)Cc2nnn[n-]2)cn1 ZINC001159084170 793373387 /nfs/dbraw/zinc/37/33/87/793373387.db2.gz HKWVPNGUZZIPTN-GARJFASQSA-N -1 3 345.367 -1.791 20 0 EAADHM CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)Cc3nn[n-]n3)C[C@H]21 ZINC001159109019 793374270 /nfs/dbraw/zinc/37/42/70/793374270.db2.gz KWXFEFYQNHJHCP-VPOLOUISSA-N -1 3 337.384 -1.931 20 0 EAADHM CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)Cc3nnn[n-]3)C[C@H]21 ZINC001159109019 793374262 /nfs/dbraw/zinc/37/42/62/793374262.db2.gz KWXFEFYQNHJHCP-VPOLOUISSA-N -1 3 337.384 -1.931 20 0 EAADHM COCCN1C[C@@H](C(=O)NCCCNCc2n[nH]c(=O)[n-]2)CC1=O ZINC001159249202 793379027 /nfs/dbraw/zinc/37/90/27/793379027.db2.gz IQXFVZVYASQYJA-JTQLQIEISA-N -1 3 340.384 -1.399 20 0 EAADHM COCCN1C[C@H](C(=O)NCCCNCc2n[nH]c(=O)[n-]2)CC1=O ZINC001159249203 793378785 /nfs/dbraw/zinc/37/87/85/793378785.db2.gz IQXFVZVYASQYJA-SNVBAGLBSA-N -1 3 340.384 -1.399 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159267042 793381397 /nfs/dbraw/zinc/38/13/97/793381397.db2.gz HRKARGWKAWXVJZ-AXFHLTTASA-N -1 3 345.367 -2.024 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159267042 793381389 /nfs/dbraw/zinc/38/13/89/793381389.db2.gz HRKARGWKAWXVJZ-AXFHLTTASA-N -1 3 345.367 -2.024 20 0 EAADHM Cn1c(=O)ccn(CC(=O)NCCCNCc2n[nH]c(=O)[n-]2)c1=O ZINC001159319066 793382072 /nfs/dbraw/zinc/38/20/72/793382072.db2.gz QLKFMMFDNNMHRV-UHFFFAOYSA-N -1 3 337.340 -2.333 20 0 EAADHM O=C(CN1CCCS1(=O)=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001159368858 793385496 /nfs/dbraw/zinc/38/54/96/793385496.db2.gz UNKLCVBYCRVUJC-UHFFFAOYSA-N -1 3 332.386 -1.858 20 0 EAADHM CCOC[C@H]1CN(C(=O)[C@@H](N)Cc2nn[n-]n2)Cc2cnn(C)c21 ZINC001159394778 793384851 /nfs/dbraw/zinc/38/48/51/793384851.db2.gz QOCSBNKBLCLPJP-MNOVXSKESA-N -1 3 334.384 -1.035 20 0 EAADHM CCOC[C@H]1CN(C(=O)[C@@H](N)Cc2nnn[n-]2)Cc2cnn(C)c21 ZINC001159394778 793384846 /nfs/dbraw/zinc/38/48/46/793384846.db2.gz QOCSBNKBLCLPJP-MNOVXSKESA-N -1 3 334.384 -1.035 20 0 EAADHM CCOC[C@@H]1CN(C(=O)[C@@H](N)Cc2nn[n-]n2)Cc2cnn(C)c21 ZINC001159394780 793385222 /nfs/dbraw/zinc/38/52/22/793385222.db2.gz QOCSBNKBLCLPJP-QWRGUYRKSA-N -1 3 334.384 -1.035 20 0 EAADHM CCOC[C@@H]1CN(C(=O)[C@@H](N)Cc2nnn[n-]2)Cc2cnn(C)c21 ZINC001159394780 793385216 /nfs/dbraw/zinc/38/52/16/793385216.db2.gz QOCSBNKBLCLPJP-QWRGUYRKSA-N -1 3 334.384 -1.035 20 0 EAADHM Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)Cc2nn[n-]n2)C3)n1 ZINC001159471873 793386183 /nfs/dbraw/zinc/38/61/83/793386183.db2.gz LMNXTQFWTVDCSU-VYUIOLGVSA-N -1 3 334.340 -1.812 20 0 EAADHM Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)Cc2nnn[n-]2)C3)n1 ZINC001159471873 793386173 /nfs/dbraw/zinc/38/61/73/793386173.db2.gz LMNXTQFWTVDCSU-VYUIOLGVSA-N -1 3 334.340 -1.812 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598705 793387690 /nfs/dbraw/zinc/38/76/90/793387690.db2.gz ALKXECVPIBNBEJ-WRWGMCAJSA-N -1 3 349.395 -1.788 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598705 793387681 /nfs/dbraw/zinc/38/76/81/793387681.db2.gz ALKXECVPIBNBEJ-WRWGMCAJSA-N -1 3 349.395 -1.788 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159771253 793389767 /nfs/dbraw/zinc/38/97/67/793389767.db2.gz ZXFBTEJJFZOQDO-QCNOEVLYSA-N -1 3 349.395 -1.646 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159771253 793389758 /nfs/dbraw/zinc/38/97/58/793389758.db2.gz ZXFBTEJJFZOQDO-QCNOEVLYSA-N -1 3 349.395 -1.646 20 0 EAADHM CN(C)[C@H](Cn1cccn1)C(=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001159878061 793393238 /nfs/dbraw/zinc/39/32/38/793393238.db2.gz VOQWOQFCBNZLDV-LLVKDONJSA-N -1 3 336.400 -1.067 20 0 EAADHM CN(C)[C@@H](Cn1cccn1)C(=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001159878063 793393059 /nfs/dbraw/zinc/39/30/59/793393059.db2.gz VOQWOQFCBNZLDV-NSHDSACASA-N -1 3 336.400 -1.067 20 0 EAADHM CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)Cc1nn[n-]n1)C2 ZINC001159929162 793391833 /nfs/dbraw/zinc/39/18/33/793391833.db2.gz FLFSZWGSXNPCHE-QMMMGPOBSA-N -1 3 334.344 -2.661 20 0 EAADHM CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001159929162 793391824 /nfs/dbraw/zinc/39/18/24/793391824.db2.gz FLFSZWGSXNPCHE-QMMMGPOBSA-N -1 3 334.344 -2.661 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001159930313 793392113 /nfs/dbraw/zinc/39/21/13/793392113.db2.gz RPTSTDXKRFMPPR-UQACVICXSA-N -1 3 345.363 -1.030 20 0 EAADHM CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H](N)Cc3nn[n-]n3)[C@H]2C1 ZINC001159997873 793394707 /nfs/dbraw/zinc/39/47/07/793394707.db2.gz BAVGDKGERIPAKX-UTLUCORTSA-N -1 3 343.413 -2.048 20 0 EAADHM CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H](N)Cc3nnn[n-]3)[C@H]2C1 ZINC001159997873 793394698 /nfs/dbraw/zinc/39/46/98/793394698.db2.gz BAVGDKGERIPAKX-UTLUCORTSA-N -1 3 343.413 -2.048 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129280 793396947 /nfs/dbraw/zinc/39/69/47/793396947.db2.gz UPOUYKOSLPQQRX-JTQLQIEISA-N -1 3 343.351 -1.113 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129280 793396939 /nfs/dbraw/zinc/39/69/39/793396939.db2.gz UPOUYKOSLPQQRX-JTQLQIEISA-N -1 3 343.351 -1.113 20 0 EAADHM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](N)Cc1nn[n-]n1)C2 ZINC001160171556 793398602 /nfs/dbraw/zinc/39/86/02/793398602.db2.gz OJOIZOZKTNYNSP-TVQRCGJNSA-N -1 3 336.356 -2.981 20 0 EAADHM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001160171556 793398592 /nfs/dbraw/zinc/39/85/92/793398592.db2.gz OJOIZOZKTNYNSP-TVQRCGJNSA-N -1 3 336.356 -2.981 20 0 EAADHM CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](N)Cc1nn[n-]n1)C2 ZINC001160171557 793398954 /nfs/dbraw/zinc/39/89/54/793398954.db2.gz OJOIZOZKTNYNSP-ZANVPECISA-N -1 3 336.356 -2.981 20 0 EAADHM CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001160171557 793398944 /nfs/dbraw/zinc/39/89/44/793398944.db2.gz OJOIZOZKTNYNSP-ZANVPECISA-N -1 3 336.356 -2.981 20 0 EAADHM CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1nn[n-]n1)CCO2 ZINC001160180905 793400186 /nfs/dbraw/zinc/40/01/86/793400186.db2.gz WSFJPMXEGBUNJN-FZMZJTMJSA-N -1 3 337.384 -1.691 20 0 EAADHM CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1nnn[n-]1)CCO2 ZINC001160180905 793400181 /nfs/dbraw/zinc/40/01/81/793400181.db2.gz WSFJPMXEGBUNJN-FZMZJTMJSA-N -1 3 337.384 -1.691 20 0 EAADHM CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1nn[n-]n1)CCO2 ZINC001160180908 793399920 /nfs/dbraw/zinc/39/99/20/793399920.db2.gz WSFJPMXEGBUNJN-SMDDNHRTSA-N -1 3 337.384 -1.691 20 0 EAADHM CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1nnn[n-]1)CCO2 ZINC001160180908 793399915 /nfs/dbraw/zinc/39/99/15/793399915.db2.gz WSFJPMXEGBUNJN-SMDDNHRTSA-N -1 3 337.384 -1.691 20 0 EAADHM Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H](N)Cc4nn[n-]n4)C[C@@H]3C2=O)cn1 ZINC001160216686 793400732 /nfs/dbraw/zinc/40/07/32/793400732.db2.gz FYUORFLUEJJCIP-LSJOCFKGSA-N -1 3 345.367 -2.076 20 0 EAADHM Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H](N)Cc4nnn[n-]4)C[C@@H]3C2=O)cn1 ZINC001160216686 793400728 /nfs/dbraw/zinc/40/07/28/793400728.db2.gz FYUORFLUEJJCIP-LSJOCFKGSA-N -1 3 345.367 -2.076 20 0 EAADHM CC(=O)NCc1ncn2c1CN(C(=O)[C@@H](N)Cc1nn[n-]n1)CCC2 ZINC001160324161 793401941 /nfs/dbraw/zinc/40/19/41/793401941.db2.gz RDAWHSJXYUPLAZ-JTQLQIEISA-N -1 3 347.383 -1.665 20 0 EAADHM CC(=O)NCc1ncn2c1CN(C(=O)[C@@H](N)Cc1nnn[n-]1)CCC2 ZINC001160324161 793401938 /nfs/dbraw/zinc/40/19/38/793401938.db2.gz RDAWHSJXYUPLAZ-JTQLQIEISA-N -1 3 347.383 -1.665 20 0 EAADHM CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160438975 793404631 /nfs/dbraw/zinc/40/46/31/793404631.db2.gz FCXBMLCBVNVULY-JGVFFNPUSA-N -1 3 325.329 -2.650 20 0 EAADHM CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160438978 793404128 /nfs/dbraw/zinc/40/41/28/793404128.db2.gz FCXBMLCBVNVULY-YUMQZZPRSA-N -1 3 325.329 -2.650 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484056 793406293 /nfs/dbraw/zinc/40/62/93/793406293.db2.gz PXYKHPPTTMLBRV-NSHDSACASA-N -1 3 336.400 -2.164 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484056 793406287 /nfs/dbraw/zinc/40/62/87/793406287.db2.gz PXYKHPPTTMLBRV-NSHDSACASA-N -1 3 336.400 -2.164 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160489577 793405970 /nfs/dbraw/zinc/40/59/70/793405970.db2.gz DQNROVCYNSSYGE-ZDUSSCGKSA-N -1 3 330.396 -1.149 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160489577 793405967 /nfs/dbraw/zinc/40/59/67/793405967.db2.gz DQNROVCYNSSYGE-ZDUSSCGKSA-N -1 3 330.396 -1.149 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160507419 793406923 /nfs/dbraw/zinc/40/69/23/793406923.db2.gz YRUWPHGLLUSGFI-QWRGUYRKSA-N -1 3 337.384 -1.691 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160507420 793407198 /nfs/dbraw/zinc/40/71/98/793407198.db2.gz YRUWPHGLLUSGFI-WDEREUQCSA-N -1 3 337.384 -1.691 20 0 EAADHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NN1CC(=O)[N-]C1=O ZINC001160530759 793407392 /nfs/dbraw/zinc/40/73/92/793407392.db2.gz YZTPEQVDWVWSAY-UHFFFAOYSA-N -1 3 330.297 -1.022 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160572889 793406656 /nfs/dbraw/zinc/40/66/56/793406656.db2.gz CSKVMKHVYZBCGK-NSHDSACASA-N -1 3 327.348 -1.055 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160572889 793406651 /nfs/dbraw/zinc/40/66/51/793406651.db2.gz CSKVMKHVYZBCGK-NSHDSACASA-N -1 3 327.348 -1.055 20 0 EAADHM CS(=O)(=O)CCCN1CCN(C(=O)[C@@H](N)Cc2nn[n-]n2)CC1 ZINC001160585731 793408057 /nfs/dbraw/zinc/40/80/57/793408057.db2.gz QDCSKGSQRSRHJE-JTQLQIEISA-N -1 3 345.429 -2.352 20 0 EAADHM CS(=O)(=O)CCCN1CCN(C(=O)[C@@H](N)Cc2nnn[n-]2)CC1 ZINC001160585731 793408051 /nfs/dbraw/zinc/40/80/51/793408051.db2.gz QDCSKGSQRSRHJE-JTQLQIEISA-N -1 3 345.429 -2.352 20 0 EAADHM CNC(=O)Cc1noc(CNCCCNC(=O)c2cnc[n-]c2=O)n1 ZINC001160651054 793575912 /nfs/dbraw/zinc/57/59/12/793575912.db2.gz RYWXBHCDNXXIGQ-UHFFFAOYSA-N -1 3 349.351 -1.237 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160740421 793574580 /nfs/dbraw/zinc/57/45/80/793574580.db2.gz BIOIYXDLSVCILU-NSHDSACASA-N -1 3 337.384 -1.644 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160740421 793574575 /nfs/dbraw/zinc/57/45/75/793574575.db2.gz BIOIYXDLSVCILU-NSHDSACASA-N -1 3 337.384 -1.644 20 0 EAADHM CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001160746469 793575827 /nfs/dbraw/zinc/57/58/27/793575827.db2.gz JRQLYHMDCRCLGZ-UWVGGRQHSA-N -1 3 325.373 -1.787 20 0 EAADHM CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001160746469 793575818 /nfs/dbraw/zinc/57/58/18/793575818.db2.gz JRQLYHMDCRCLGZ-UWVGGRQHSA-N -1 3 325.373 -1.787 20 0 EAADHM CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001160746470 793575440 /nfs/dbraw/zinc/57/54/40/793575440.db2.gz JRQLYHMDCRCLGZ-ZJUUUORDSA-N -1 3 325.373 -1.787 20 0 EAADHM CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)Cc1nn[n-]n1)CC2 ZINC001160805339 793579614 /nfs/dbraw/zinc/57/96/14/793579614.db2.gz AWTUNINSFQUAQL-VIFPVBQESA-N -1 3 348.367 -1.472 20 0 EAADHM CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)Cc1nnn[n-]1)CC2 ZINC001160805339 793579612 /nfs/dbraw/zinc/57/96/12/793579612.db2.gz AWTUNINSFQUAQL-VIFPVBQESA-N -1 3 348.367 -1.472 20 0 EAADHM CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160824118 793578710 /nfs/dbraw/zinc/57/87/10/793578710.db2.gz LPOXTKUQVKFNBL-GZMMTYOYSA-N -1 3 334.340 -1.518 20 0 EAADHM CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001160824118 793578708 /nfs/dbraw/zinc/57/87/08/793578708.db2.gz LPOXTKUQVKFNBL-GZMMTYOYSA-N -1 3 334.340 -1.518 20 0 EAADHM CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160824119 793578873 /nfs/dbraw/zinc/57/88/73/793578873.db2.gz LPOXTKUQVKFNBL-KWQFWETISA-N -1 3 334.340 -1.518 20 0 EAADHM CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001160824119 793578866 /nfs/dbraw/zinc/57/88/66/793578866.db2.gz LPOXTKUQVKFNBL-KWQFWETISA-N -1 3 334.340 -1.518 20 0 EAADHM CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H](N)Cc1nn[n-]n1)C2 ZINC001160825335 793579273 /nfs/dbraw/zinc/57/92/73/793579273.db2.gz YSJFOYGKPLPAJA-ZETCQYMHSA-N -1 3 335.324 -1.181 20 0 EAADHM CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001160825335 793579267 /nfs/dbraw/zinc/57/92/67/793579267.db2.gz YSJFOYGKPLPAJA-ZETCQYMHSA-N -1 3 335.324 -1.181 20 0 EAADHM COc1cccnc1N1CCN(C(=O)[C@@H](N)Cc2nn[n-]n2)CC1 ZINC001160846748 793579404 /nfs/dbraw/zinc/57/94/04/793579404.db2.gz MWOJZYJVDFUXDP-JTQLQIEISA-N -1 3 332.368 -1.178 20 0 EAADHM COc1cccnc1N1CCN(C(=O)[C@@H](N)Cc2nnn[n-]2)CC1 ZINC001160846748 793579395 /nfs/dbraw/zinc/57/93/95/793579395.db2.gz MWOJZYJVDFUXDP-JTQLQIEISA-N -1 3 332.368 -1.178 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160935636 793582487 /nfs/dbraw/zinc/58/24/87/793582487.db2.gz CLFNJHSEZMAYKE-NSHDSACASA-N -1 3 330.352 -1.551 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160935636 793582485 /nfs/dbraw/zinc/58/24/85/793582485.db2.gz CLFNJHSEZMAYKE-NSHDSACASA-N -1 3 330.352 -1.551 20 0 EAADHM O=C(NCCCNCc1n[nH]c(=O)[n-]1)C1CC2(C1)CS(=O)(=O)C2 ZINC001160945361 793582208 /nfs/dbraw/zinc/58/22/08/793582208.db2.gz FBMITLFKSMOQPZ-UHFFFAOYSA-N -1 3 343.409 -1.069 20 0 EAADHM NC(=O)c1ccc(CC(=O)NCCCNCc2n[nH]c(=O)[n-]2)cn1 ZINC001160974400 793582531 /nfs/dbraw/zinc/58/25/31/793582531.db2.gz NTFSNKYEUWIPNG-UHFFFAOYSA-N -1 3 333.352 -1.157 20 0 EAADHM COc1cc(N2CCN(C(=O)[C@@H](N)Cc3nn[n-]n3)CC2)ncn1 ZINC001161093302 793586268 /nfs/dbraw/zinc/58/62/68/793586268.db2.gz KYZRVLHBXCUGAS-VIFPVBQESA-N -1 3 333.356 -1.783 20 0 EAADHM COc1cc(N2CCN(C(=O)[C@@H](N)Cc3nnn[n-]3)CC2)ncn1 ZINC001161093302 793586261 /nfs/dbraw/zinc/58/62/61/793586261.db2.gz KYZRVLHBXCUGAS-VIFPVBQESA-N -1 3 333.356 -1.783 20 0 EAADHM COCCS(=O)(=O)CC(=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001161105339 793588003 /nfs/dbraw/zinc/58/80/03/793588003.db2.gz LGDCQIVKKWZJBT-UHFFFAOYSA-N -1 3 335.386 -1.833 20 0 EAADHM CC(=O)NCC(=O)NCC(=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001161168329 793589903 /nfs/dbraw/zinc/58/99/03/793589903.db2.gz YDZBDDOHAUITIT-UHFFFAOYSA-N -1 3 327.345 -2.642 20 0 EAADHM O=C(NCCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001161263010 793593270 /nfs/dbraw/zinc/59/32/70/793593270.db2.gz LGDGEVHDCFDVCU-MRVPVSSYSA-N -1 3 336.356 -1.334 20 0 EAADHM O=C(NCCCNCc1n[nH]c(=O)[n-]1)[C@H]1CCC2N=NC(=O)N2C1 ZINC001161263011 793593946 /nfs/dbraw/zinc/59/39/46/793593946.db2.gz LGDGEVHDCFDVCU-QMMMGPOBSA-N -1 3 336.356 -1.334 20 0 EAADHM COC(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2nn[n-]n2)CCN1C(C)=O ZINC001161296785 793595548 /nfs/dbraw/zinc/59/55/48/793595548.db2.gz URYUIXXXYPKOLB-DTWKUNHWSA-N -1 3 325.329 -2.698 20 0 EAADHM COC(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2nnn[n-]2)CCN1C(C)=O ZINC001161296785 793595542 /nfs/dbraw/zinc/59/55/42/793595542.db2.gz URYUIXXXYPKOLB-DTWKUNHWSA-N -1 3 325.329 -2.698 20 0 EAADHM COC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2nn[n-]n2)CCN1C(C)=O ZINC001161296787 793595325 /nfs/dbraw/zinc/59/53/25/793595325.db2.gz URYUIXXXYPKOLB-IUCAKERBSA-N -1 3 325.329 -2.698 20 0 EAADHM COC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2nnn[n-]2)CCN1C(C)=O ZINC001161296787 793595317 /nfs/dbraw/zinc/59/53/17/793595317.db2.gz URYUIXXXYPKOLB-IUCAKERBSA-N -1 3 325.329 -2.698 20 0 EAADHM COc1cnc(O[C@@H]2CCN(C(=O)[C@@H](N)Cc3nn[n-]n3)C2)nc1 ZINC001161298932 793597407 /nfs/dbraw/zinc/59/74/07/793597407.db2.gz QEJCMADTDUJSSP-SCZZXKLOSA-N -1 3 334.340 -1.452 20 0 EAADHM COc1cnc(O[C@@H]2CCN(C(=O)[C@@H](N)Cc3nnn[n-]3)C2)nc1 ZINC001161298932 793597403 /nfs/dbraw/zinc/59/74/03/793597403.db2.gz QEJCMADTDUJSSP-SCZZXKLOSA-N -1 3 334.340 -1.452 20 0 EAADHM COc1cnc(O[C@H]2CCN(C(=O)[C@@H](N)Cc3nn[n-]n3)C2)nc1 ZINC001161298937 793596559 /nfs/dbraw/zinc/59/65/59/793596559.db2.gz QEJCMADTDUJSSP-WPRPVWTQSA-N -1 3 334.340 -1.452 20 0 EAADHM COc1cnc(O[C@H]2CCN(C(=O)[C@@H](N)Cc3nnn[n-]3)C2)nc1 ZINC001161298937 793596558 /nfs/dbraw/zinc/59/65/58/793596558.db2.gz QEJCMADTDUJSSP-WPRPVWTQSA-N -1 3 334.340 -1.452 20 0 EAADHM COc1cc(N2CCN(C(=O)[C@@H](N)Cc3nn[n-]n3)CC2)ccn1 ZINC001161306461 793596756 /nfs/dbraw/zinc/59/67/56/793596756.db2.gz MSBRSOKKQHFWJR-NSHDSACASA-N -1 3 332.368 -1.178 20 0 EAADHM COc1cc(N2CCN(C(=O)[C@@H](N)Cc3nnn[n-]3)CC2)ccn1 ZINC001161306461 793596748 /nfs/dbraw/zinc/59/67/48/793596748.db2.gz MSBRSOKKQHFWJR-NSHDSACASA-N -1 3 332.368 -1.178 20 0 EAADHM CN1CCN(CC(=O)NCCCNCc2n[nH]c(=O)[n-]2)CC1=O ZINC001161394950 793598693 /nfs/dbraw/zinc/59/86/93/793598693.db2.gz HMJCCRPQTCTTMG-UHFFFAOYSA-N -1 3 325.373 -2.120 20 0 EAADHM Cn1cc(CNCCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)nn1 ZINC001161413574 793598585 /nfs/dbraw/zinc/59/85/85/793598585.db2.gz VECAANDOAQKLHF-UHFFFAOYSA-N -1 3 338.372 -1.106 20 0 EAADHM Cn1ncnc1CNCCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001161413581 793598405 /nfs/dbraw/zinc/59/84/05/793598405.db2.gz VICFUDFWVFLGSD-UHFFFAOYSA-N -1 3 338.372 -1.106 20 0 EAADHM Cn1cnnc1CNCCCNC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001161413803 793598227 /nfs/dbraw/zinc/59/82/27/793598227.db2.gz YASCWAXWMZJUFV-UHFFFAOYSA-N -1 3 338.372 -1.106 20 0 EAADHM Cn1ncc(CNCCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)n1 ZINC001161413829 793598065 /nfs/dbraw/zinc/59/80/65/793598065.db2.gz YSJCKUPUNYENCB-UHFFFAOYSA-N -1 3 338.372 -1.106 20 0 EAADHM Cn1[n-]c(CNCCCNC(=O)CC2CS(=O)(=O)C2)nc1=O ZINC001161433451 793600089 /nfs/dbraw/zinc/60/00/89/793600089.db2.gz JWOIDQOHFYDURE-UHFFFAOYSA-N -1 3 331.398 -1.861 20 0 EAADHM 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-1.149 20 0 EAADHM CNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001193451991 790847783 /nfs/dbraw/zinc/84/77/83/790847783.db2.gz ZEBDBWJZMCHEEP-NXEZZACHSA-N -1 3 347.379 -1.302 20 0 EAADHM CNC(=O)[C@H](C)N(C)[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001193451994 790848810 /nfs/dbraw/zinc/84/88/10/790848810.db2.gz ZEBDBWJZMCHEEP-UWVGGRQHSA-N -1 3 347.379 -1.302 20 0 EAADHM CNC(=O)[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001193451999 790847125 /nfs/dbraw/zinc/84/71/25/790847125.db2.gz ZEBDBWJZMCHEEP-VHSXEESVSA-N -1 3 347.379 -1.302 20 0 EAADHM CNC(=O)[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001193452005 790847522 /nfs/dbraw/zinc/84/75/22/790847522.db2.gz ZEBDBWJZMCHEEP-ZJUUUORDSA-N -1 3 347.379 -1.302 20 0 EAADHM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCc3cnc[nH]3)C2)nc1=O ZINC001193618970 790875380 /nfs/dbraw/zinc/87/53/80/790875380.db2.gz DUKSEUZDONXCIK-GHMZBOCLSA-N -1 3 335.368 -1.874 20 0 EAADHM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCc3c[nH]cn3)C2)nc1=O ZINC001193618970 790875371 /nfs/dbraw/zinc/87/53/71/790875371.db2.gz DUKSEUZDONXCIK-GHMZBOCLSA-N -1 3 335.368 -1.874 20 0 EAADHM CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)N(C)C ZINC001193961466 790908096 /nfs/dbraw/zinc/90/80/96/790908096.db2.gz QDCGMCAWAUBQIT-FOGDFJRCSA-N -1 3 326.401 -1.242 20 0 EAADHM CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001193978581 790911251 /nfs/dbraw/zinc/91/12/51/790911251.db2.gz SHOWCUFQEBFGJK-VXGBXAGGSA-N -1 3 349.391 -1.029 20 0 EAADHM O=C(CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)NCC1CCC1 ZINC001193996806 790917726 /nfs/dbraw/zinc/91/77/26/790917726.db2.gz GWIYLEYEVCYODI-CHWSQXEVSA-N -1 3 349.391 -1.127 20 0 EAADHM CC(C)(C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001193996808 790917662 /nfs/dbraw/zinc/91/76/62/790917662.db2.gz GYVIYTBLSOOMJQ-GHMZBOCLSA-N -1 3 337.380 -1.128 20 0 EAADHM CCN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001193997652 790917781 /nfs/dbraw/zinc/91/77/81/790917781.db2.gz NPHUPMQPVGRHQL-VXGBXAGGSA-N -1 3 337.380 -1.175 20 0 EAADHM CC(C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001193997654 790916818 /nfs/dbraw/zinc/91/68/18/790916818.db2.gz NPSAHJCCHJRNQG-VXGBXAGGSA-N -1 3 337.380 -1.176 20 0 EAADHM CC[C@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001193997655 790917495 /nfs/dbraw/zinc/91/74/95/790917495.db2.gz NQDVNPSHYNZIKK-MVWJERBFSA-N -1 3 337.380 -1.128 20 0 EAADHM CC[C@@H](C)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001193997657 790917329 /nfs/dbraw/zinc/91/73/29/790917329.db2.gz NQDVNPSHYNZIKK-YUSALJHKSA-N -1 3 337.380 -1.128 20 0 EAADHM O=C(CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)NCC1CC1 ZINC001193998131 790917797 /nfs/dbraw/zinc/91/77/97/790917797.db2.gz OWVRKOHJUDMCNJ-VXGBXAGGSA-N -1 3 335.364 -1.517 20 0 EAADHM CCCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001193998167 790916926 /nfs/dbraw/zinc/91/69/26/790916926.db2.gz PLHOOVVAWFKMAG-VXGBXAGGSA-N -1 3 337.380 -1.127 20 0 EAADHM CN(CC1CC1)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001193998816 790916876 /nfs/dbraw/zinc/91/68/76/790916876.db2.gz WZUCLWYTZAYPLF-CHWSQXEVSA-N -1 3 349.391 -1.175 20 0 EAADHM CNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001193999295 790916682 /nfs/dbraw/zinc/91/66/82/790916682.db2.gz ZXSNYOPHBQAIOV-RKDXNWHRSA-N -1 3 338.324 -2.587 20 0 EAADHM CS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001194014889 790913245 /nfs/dbraw/zinc/91/32/45/790913245.db2.gz AGLNNJYXPOBWQV-GHMZBOCLSA-N -1 3 344.393 -1.608 20 0 EAADHM C[C@@H](NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C1CC1 ZINC001194015011 790912331 /nfs/dbraw/zinc/91/23/31/790912331.db2.gz FDJQMDPMFWBNJV-OASPWFOLSA-N -1 3 349.391 -1.128 20 0 EAADHM C[C@H](NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C1CC1 ZINC001194015013 790914683 /nfs/dbraw/zinc/91/46/83/790914683.db2.gz FDJQMDPMFWBNJV-ZWKOPEQDSA-N -1 3 349.391 -1.128 20 0 EAADHM O=C(N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O)c1cnc[n-]c1=O ZINC001194015258 790915504 /nfs/dbraw/zinc/91/55/04/790915504.db2.gz GSURCWBGKOZVGI-VXGBXAGGSA-N -1 3 335.364 -1.517 20 0 EAADHM CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C1CC1 ZINC001194015715 790915283 /nfs/dbraw/zinc/91/52/83/790915283.db2.gz JVWDQTLTMJBIOH-CHWSQXEVSA-N -1 3 349.391 -1.032 20 0 EAADHM CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001194015720 790914874 /nfs/dbraw/zinc/91/48/74/790914874.db2.gz KADMHKUOQAIYEF-MVWJERBFSA-N -1 3 337.380 -1.128 20 0 EAADHM CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001194015721 790915358 /nfs/dbraw/zinc/91/53/58/790915358.db2.gz KADMHKUOQAIYEF-YUSALJHKSA-N -1 3 337.380 -1.128 20 0 EAADHM CC(C)CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001194015751 790915288 /nfs/dbraw/zinc/91/52/88/790915288.db2.gz LJGIYMAAXNMWSM-VXGBXAGGSA-N -1 3 337.380 -1.271 20 0 EAADHM C[C@H](C(=O)NC(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001194016204 790915847 /nfs/dbraw/zinc/91/58/47/790915847.db2.gz PKLJCFSOXHJLLO-FTLITQJKSA-N -1 3 338.324 -2.460 20 0 EAADHM C[C@@H](C(=O)NC(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001194016207 790914277 /nfs/dbraw/zinc/91/42/77/790914277.db2.gz PKLJCFSOXHJLLO-NBEYISGCSA-N -1 3 338.324 -2.460 20 0 EAADHM COCCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001194016262 790915800 /nfs/dbraw/zinc/91/58/00/790915800.db2.gz QMQHCQZCDBQRMQ-VXGBXAGGSA-N -1 3 326.353 -1.380 20 0 EAADHM CS(=O)(=O)NCCN1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001194016520 790915594 /nfs/dbraw/zinc/91/55/94/790915594.db2.gz RIPGGTQOEBIZIM-NXEZZACHSA-N -1 3 345.381 -2.494 20 0 EAADHM NC(=O)C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)C(N)=O ZINC001194128363 790922234 /nfs/dbraw/zinc/92/22/34/790922234.db2.gz VPNGBYRIBCXQDL-QMMMGPOBSA-N -1 3 326.334 -1.024 20 0 EAADHM CCN(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001194244702 790937816 /nfs/dbraw/zinc/93/78/16/790937816.db2.gz WRAJLOMWPWFBJN-NXEZZACHSA-N -1 3 326.401 -1.098 20 0 EAADHM C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001194282856 790945037 /nfs/dbraw/zinc/94/50/37/790945037.db2.gz MIXXJJJBLUOFDP-IVZWLZJFSA-N -1 3 329.357 -1.988 20 0 EAADHM C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001194282867 790944830 /nfs/dbraw/zinc/94/48/30/790944830.db2.gz MIXXJJJBLUOFDP-OPRDCNLKSA-N -1 3 329.357 -1.988 20 0 EAADHM CO[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001194283107 790944658 /nfs/dbraw/zinc/94/46/58/790944658.db2.gz OKODHSVJCGNGML-GMTAPVOTSA-N -1 3 343.384 -1.334 20 0 EAADHM CO[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001194283108 790944715 /nfs/dbraw/zinc/94/47/15/790944715.db2.gz OKODHSVJCGNGML-HBNTYKKESA-N -1 3 343.384 -1.334 20 0 EAADHM COCCN1C[C@@H](O)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001194283307 790944324 /nfs/dbraw/zinc/94/43/24/790944324.db2.gz QOPDBOKOMBIOAU-NXEZZACHSA-N -1 3 329.357 -1.723 20 0 EAADHM COC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001194283935 790946143 /nfs/dbraw/zinc/94/61/43/790946143.db2.gz VSJMCPXSHPULFH-GMTAPVOTSA-N -1 3 343.384 -1.334 20 0 EAADHM COC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001194283936 790944753 /nfs/dbraw/zinc/94/47/53/790944753.db2.gz VSJMCPXSHPULFH-HBNTYKKESA-N -1 3 343.384 -1.334 20 0 EAADHM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCCF)C[C@H]1O ZINC001194284086 790944392 /nfs/dbraw/zinc/94/43/92/790944392.db2.gz WTCMZWACQYFPJC-NXEZZACHSA-N -1 3 331.348 -1.010 20 0 EAADHM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001194284150 790946016 /nfs/dbraw/zinc/94/60/16/790946016.db2.gz YZIVSXBVCOVCKQ-NXEZZACHSA-N -1 3 329.357 -1.987 20 0 EAADHM CCOCCN1C[C@@H](O)[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001194284161 790945879 /nfs/dbraw/zinc/94/58/79/790945879.db2.gz ZSLCKCIWNRCLOM-GHMZBOCLSA-N -1 3 343.384 -1.333 20 0 EAADHM CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001194375720 790946675 /nfs/dbraw/zinc/94/66/75/790946675.db2.gz MOOQVELQHZWACJ-GHMZBOCLSA-N -1 3 331.398 -1.596 20 0 EAADHM CC(C)S(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001194376442 790948284 /nfs/dbraw/zinc/94/82/84/790948284.db2.gz VBCJMZQIBTXCOF-VXGBXAGGSA-N -1 3 345.425 -1.207 20 0 EAADHM O=C(CN1C[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1)NCC(F)(F)F ZINC001194385639 790949974 /nfs/dbraw/zinc/94/99/74/790949974.db2.gz MOCLWCYPUNMJDM-HTQZYQBOSA-N -1 3 336.274 -1.742 20 0 EAADHM CS(=O)(=O)CC1(CN2C[C@@H](O)[C@H](NC(=O)c3cn[n-]n3)C2)CC1 ZINC001194386626 790950098 /nfs/dbraw/zinc/95/00/98/790950098.db2.gz VJKICYXBWLZCHW-GHMZBOCLSA-N -1 3 343.409 -1.596 20 0 EAADHM COCCCN1C[C@@H](O)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001194390589 790951615 /nfs/dbraw/zinc/95/16/15/790951615.db2.gz BNGBJIFSBHNKAI-GHMZBOCLSA-N -1 3 341.368 -1.587 20 0 EAADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O ZINC001194399454 790951819 /nfs/dbraw/zinc/95/18/19/790951819.db2.gz 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CCCCNC(=O)CN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219855188 794197552 /nfs/dbraw/zinc/19/75/52/794197552.db2.gz PLHOOVVAWFKMAG-NEPJUHHUSA-N -1 3 337.380 -1.127 20 0 EAADHM COCCOCCN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219855208 794198712 /nfs/dbraw/zinc/19/87/12/794198712.db2.gz QMQHCQZCDBQRMQ-NEPJUHHUSA-N -1 3 326.353 -1.380 20 0 EAADHM CN(CC1CC1)C(=O)CN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219855321 794199101 /nfs/dbraw/zinc/19/91/01/794199101.db2.gz WZUCLWYTZAYPLF-OLZOCXBDSA-N -1 3 349.391 -1.175 20 0 EAADHM CNC(=O)NC(=O)CN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219855389 794198954 /nfs/dbraw/zinc/19/89/54/794198954.db2.gz ZXSNYOPHBQAIOV-BDAKNGLRSA-N -1 3 338.324 -2.587 20 0 EAADHM CS(=O)(=O)CCCN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219856769 794199610 /nfs/dbraw/zinc/19/96/10/794199610.db2.gz AGLNNJYXPOBWQV-MNOVXSKESA-N -1 3 344.393 -1.608 20 0 EAADHM C[C@H](NC(=O)CN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C1CC1 ZINC001219856826 794199661 /nfs/dbraw/zinc/19/96/61/794199661.db2.gz FDJQMDPMFWBNJV-BIMULSAOSA-N -1 3 349.391 -1.128 20 0 EAADHM C[C@@H](NC(=O)CN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C1CC1 ZINC001219856827 794199737 /nfs/dbraw/zinc/19/97/37/794199737.db2.gz FDJQMDPMFWBNJV-WQAKAFBOSA-N -1 3 349.391 -1.128 20 0 EAADHM CCN(C(=O)CN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C1CC1 ZINC001219856892 794198751 /nfs/dbraw/zinc/19/87/51/794198751.db2.gz JVWDQTLTMJBIOH-OLZOCXBDSA-N -1 3 349.391 -1.032 20 0 EAADHM CCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219856897 794199151 /nfs/dbraw/zinc/19/91/51/794199151.db2.gz KADMHKUOQAIYEF-JLLWLGSASA-N -1 3 337.380 -1.128 20 0 EAADHM CCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219856898 794199052 /nfs/dbraw/zinc/19/90/52/794199052.db2.gz KADMHKUOQAIYEF-WCQGTBRESA-N -1 3 337.380 -1.128 20 0 EAADHM C[C@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219856976 794198815 /nfs/dbraw/zinc/19/88/15/794198815.db2.gz PKLJCFSOXHJLLO-VDAHYXPESA-N -1 3 338.324 -2.460 20 0 EAADHM C[C@@H](C(=O)NC(N)=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219856977 794199478 /nfs/dbraw/zinc/19/94/78/794199478.db2.gz PKLJCFSOXHJLLO-ZQARSLAVSA-N -1 3 338.324 -2.460 20 0 EAADHM CS(=O)(=O)NCCN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001219857004 794199124 /nfs/dbraw/zinc/19/91/24/794199124.db2.gz RIPGGTQOEBIZIM-ZJUUUORDSA-N -1 3 345.381 -2.494 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001219901359 794208155 /nfs/dbraw/zinc/20/81/55/794208155.db2.gz IEVBSAPLQKXSOF-FZNYLWTLSA-N -1 3 331.336 -1.307 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001219901359 794208153 /nfs/dbraw/zinc/20/81/53/794208153.db2.gz IEVBSAPLQKXSOF-FZNYLWTLSA-N -1 3 331.336 -1.307 20 0 EAADHM CCN(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001219903263 794209982 /nfs/dbraw/zinc/20/99/82/794209982.db2.gz WRAJLOMWPWFBJN-ZJUUUORDSA-N -1 3 326.401 -1.098 20 0 EAADHM C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H]2SC(=O)[N-]C2=O)COC1(C)C ZINC001219904537 794209780 /nfs/dbraw/zinc/20/97/80/794209780.db2.gz XRJJRNFZWFPGFV-ATVXKPNKSA-N -1 3 330.366 -1.278 20 0 EAADHM C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2SC(=O)[N-]C2=O)COC1(C)C ZINC001219904540 794209579 /nfs/dbraw/zinc/20/95/79/794209579.db2.gz XRJJRNFZWFPGFV-WATHFIQWSA-N -1 3 330.366 -1.278 20 0 EAADHM COCCN1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219910746 794209095 /nfs/dbraw/zinc/20/90/95/794209095.db2.gz QOPDBOKOMBIOAU-ZJUUUORDSA-N -1 3 329.357 -1.723 20 0 EAADHM COC[C@H](C)N1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219910858 794209453 /nfs/dbraw/zinc/20/94/53/794209453.db2.gz VSJMCPXSHPULFH-AXFHLTTASA-N -1 3 343.384 -1.334 20 0 EAADHM COC[C@@H](C)N1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219910859 794209243 /nfs/dbraw/zinc/20/92/43/794209243.db2.gz VSJMCPXSHPULFH-MXWKQRLJSA-N -1 3 343.384 -1.334 20 0 EAADHM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001219910941 794212365 /nfs/dbraw/zinc/21/23/65/794212365.db2.gz YZIVSXBVCOVCKQ-ZJUUUORDSA-N -1 3 329.357 -1.987 20 0 EAADHM CCOCCN1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219910963 794211256 /nfs/dbraw/zinc/21/12/56/794211256.db2.gz ZSLCKCIWNRCLOM-MNOVXSKESA-N -1 3 343.384 -1.333 20 0 EAADHM C[C@H](O)CN1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219919759 794211083 /nfs/dbraw/zinc/21/10/83/794211083.db2.gz MIXXJJJBLUOFDP-AEJSXWLSSA-N -1 3 329.357 -1.988 20 0 EAADHM C[C@@H](O)CN1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219919760 794212135 /nfs/dbraw/zinc/21/21/35/794212135.db2.gz MIXXJJJBLUOFDP-BBBLOLIVSA-N -1 3 329.357 -1.988 20 0 EAADHM CO[C@@H](C)CN1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219919800 794211620 /nfs/dbraw/zinc/21/16/20/794211620.db2.gz OKODHSVJCGNGML-AXFHLTTASA-N -1 3 343.384 -1.334 20 0 EAADHM CO[C@H](C)CN1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219919801 794212420 /nfs/dbraw/zinc/21/24/20/794212420.db2.gz OKODHSVJCGNGML-MXWKQRLJSA-N -1 3 343.384 -1.334 20 0 EAADHM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCCF)C[C@@H]1O ZINC001219919997 794211523 /nfs/dbraw/zinc/21/15/23/794211523.db2.gz WTCMZWACQYFPJC-ZJUUUORDSA-N -1 3 331.348 -1.010 20 0 EAADHM CS(=O)(=O)CC1(CN2C[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)CC1 ZINC001219936237 794217050 /nfs/dbraw/zinc/21/70/50/794217050.db2.gz VJKICYXBWLZCHW-MNOVXSKESA-N -1 3 343.409 -1.596 20 0 EAADHM O=C(CN1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1)NCC(F)(F)F ZINC001219937810 794217059 /nfs/dbraw/zinc/21/70/59/794217059.db2.gz MOCLWCYPUNMJDM-SFYZADRCSA-N -1 3 336.274 -1.742 20 0 EAADHM CCS(=O)(=O)CCCN1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001219937811 794216935 /nfs/dbraw/zinc/21/69/35/794216935.db2.gz MOOQVELQHZWACJ-MNOVXSKESA-N -1 3 331.398 -1.596 20 0 EAADHM CC(C)S(=O)(=O)CCCN1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001219938174 794216289 /nfs/dbraw/zinc/21/62/89/794216289.db2.gz VBCJMZQIBTXCOF-NEPJUHHUSA-N -1 3 345.425 -1.207 20 0 EAADHM COCCCN1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001219939360 794216971 /nfs/dbraw/zinc/21/69/71/794216971.db2.gz BNGBJIFSBHNKAI-MNOVXSKESA-N -1 3 341.368 -1.587 20 0 EAADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001219939415 794216356 /nfs/dbraw/zinc/21/63/56/794216356.db2.gz DRIKVUPJMMZIKM-JLLWLGSASA-N -1 3 337.380 -1.542 20 0 EAADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001219939416 794217147 /nfs/dbraw/zinc/21/71/47/794217147.db2.gz DRIKVUPJMMZIKM-WCQGTBRESA-N -1 3 337.380 -1.542 20 0 EAADHM CNC(=O)CN1C[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001219939963 794218591 /nfs/dbraw/zinc/21/85/91/794218591.db2.gz RCFXSPOGTBOEPC-NEPJUHHUSA-N -1 3 337.380 -1.669 20 0 EAADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001219941709 794217999 /nfs/dbraw/zinc/21/79/99/794217999.db2.gz MBOAQFCVQMGBRO-AGIUHOORSA-N -1 3 349.391 -1.527 20 0 EAADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001219941710 794217914 /nfs/dbraw/zinc/21/79/14/794217914.db2.gz MBOAQFCVQMGBRO-UPJWGTAASA-N -1 3 349.391 -1.527 20 0 EAADHM COCCCCCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001219947560 794220322 /nfs/dbraw/zinc/22/03/22/794220322.db2.gz LRADPXLCPDBTGL-ZJUUUORDSA-N -1 3 341.368 -1.126 20 0 EAADHM COCCCCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001219947771 794219847 /nfs/dbraw/zinc/21/98/47/794219847.db2.gz SGMAQGCEPXZJGF-BDAKNGLRSA-N -1 3 327.341 -1.516 20 0 EAADHM Nc1nc2c(ncn2CC(=O)NCCCc2c[n-][nH]c2=O)c(=O)[nH]1 ZINC001219969447 794222804 /nfs/dbraw/zinc/22/28/04/794222804.db2.gz AKFRZTCWTNRGGF-SSDOTTSWSA-N -1 3 332.324 -1.258 20 0 EAADHM Nc1nc2c(ncn2CC(=O)NCCCc2c[n-][nH]c2=O)c(=O)[nH]1 ZINC001219969448 794223464 /nfs/dbraw/zinc/22/34/64/794223464.db2.gz AKFRZTCWTNRGGF-ZETCQYMHSA-N -1 3 332.324 -1.258 20 0 EAADHM CCn1c(N)c(NC(=O)[C@@H](N)Cc2nn[n-]n2)c(=O)n(CC)c1=O ZINC001219972850 794224214 /nfs/dbraw/zinc/22/42/14/794224214.db2.gz XNWXJBPBYNSUFN-LURJTMIESA-N -1 3 337.344 -2.346 20 0 EAADHM CCn1c(N)c(NC(=O)[C@@H](N)Cc2nnn[n-]2)c(=O)n(CC)c1=O ZINC001219972850 794224208 /nfs/dbraw/zinc/22/42/08/794224208.db2.gz XNWXJBPBYNSUFN-LURJTMIESA-N -1 3 337.344 -2.346 20 0 EAADHM CCOC(=O)C(=CNC(=O)[C@@H](N)Cc1nn[n-]n1)C(=O)OCC ZINC001220041737 794234151 /nfs/dbraw/zinc/23/41/51/794234151.db2.gz XZDYNTOGLZCTHK-QMMMGPOBSA-N -1 3 326.313 -1.804 20 0 EAADHM CCOC(=O)C(=CNC(=O)[C@@H](N)Cc1nnn[n-]1)C(=O)OCC ZINC001220041737 794234144 /nfs/dbraw/zinc/23/41/44/794234144.db2.gz XZDYNTOGLZCTHK-QMMMGPOBSA-N -1 3 326.313 -1.804 20 0 EAADHM NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nn[n-]n1 ZINC001220073428 794238377 /nfs/dbraw/zinc/23/83/77/794238377.db2.gz GFYKPQWITAKAKZ-LBPRGKRZSA-N -1 3 342.363 -1.017 20 0 EAADHM NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnn[n-]1 ZINC001220073428 794238367 /nfs/dbraw/zinc/23/83/67/794238367.db2.gz GFYKPQWITAKAKZ-LBPRGKRZSA-N -1 3 342.363 -1.017 20 0 EAADHM CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1nn[n-]n1 ZINC001220074400 794238252 /nfs/dbraw/zinc/23/82/52/794238252.db2.gz ZUNOGELYENQZFO-UWVGGRQHSA-N -1 3 339.400 -1.051 20 0 EAADHM CC(C)(C)OC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1nnn[n-]1 ZINC001220074400 794238245 /nfs/dbraw/zinc/23/82/45/794238245.db2.gz ZUNOGELYENQZFO-UWVGGRQHSA-N -1 3 339.400 -1.051 20 0 EAADHM C[C@H]1[C@H](NC(=O)CN2CCCC[C@H](N)C2=O)C(=O)N1S(=O)(=O)[O-] ZINC001220098960 794243550 /nfs/dbraw/zinc/24/35/50/794243550.db2.gz AMCMSFHHZGBKOC-NRPADANISA-N -1 3 348.381 -2.156 20 0 EAADHM C[C@H]1[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)C(=O)N1S(=O)(=O)[O-] ZINC001220098981 794243366 /nfs/dbraw/zinc/24/33/66/794243366.db2.gz BEKWSIDTECBSHZ-FXQIFTODSA-N -1 3 334.354 -3.165 20 0 EAADHM C[C@H]1[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)C(=O)N1S(=O)(=O)[O-] ZINC001220098982 794243129 /nfs/dbraw/zinc/24/31/29/794243129.db2.gz BEKWSIDTECBSHZ-RNJXMRFFSA-N -1 3 334.354 -3.165 20 0 EAADHM C[C@H]1[C@H](NC(=O)[C@@H](N)C2CCC(O)CC2)C(=O)N1S(=O)(=O)[O-] ZINC001220099179 794243344 /nfs/dbraw/zinc/24/33/44/794243344.db2.gz GXCOQXGMOIJLAS-RDCBJUDBSA-N -1 3 335.382 -1.617 20 0 EAADHM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220104956 794244209 /nfs/dbraw/zinc/24/42/09/794244209.db2.gz QCLUKCINOYWVJO-FXQIFTODSA-N -1 3 346.340 -2.784 20 0 EAADHM CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001220105163 794243942 /nfs/dbraw/zinc/24/39/42/794243942.db2.gz ULFDFAVBBMYDGX-AUTRQRHGSA-N -1 3 331.369 -1.001 20 0 EAADHM COCCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001220117790 794247252 /nfs/dbraw/zinc/24/72/52/794247252.db2.gz DIRGQPSZFMQJPM-MNOVXSKESA-N -1 3 326.353 -1.703 20 0 EAADHM CCOCCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001220117953 794246482 /nfs/dbraw/zinc/24/64/82/794246482.db2.gz HNLCVLKUUAIPNZ-NEPJUHHUSA-N -1 3 340.380 -1.313 20 0 EAADHM C[C@@H](O)CCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001220118778 794246601 /nfs/dbraw/zinc/24/66/01/794246601.db2.gz VWDWEHYMIGVVSL-JLLWLGSASA-N -1 3 340.380 -1.578 20 0 EAADHM C[C@H](O)CCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001220118779 794247448 /nfs/dbraw/zinc/24/74/48/794247448.db2.gz VWDWEHYMIGVVSL-WCQGTBRESA-N -1 3 340.380 -1.578 20 0 EAADHM COCCCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001220118782 794246576 /nfs/dbraw/zinc/24/65/76/794246576.db2.gz VYFCUDXLIKXNNY-NEPJUHHUSA-N -1 3 340.380 -1.313 20 0 EAADHM Cn1cncc1C[C@H](N)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001220125061 794249020 /nfs/dbraw/zinc/24/90/20/794249020.db2.gz WRTSQBANLNRFBS-QMMMGPOBSA-N -1 3 335.411 -1.038 20 0 EAADHM C[S@@](=O)CC[C@H](N)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001220127282 794247858 /nfs/dbraw/zinc/24/78/58/794247858.db2.gz OQRWAUCGOSXASA-AHGSNSTDSA-N -1 3 331.441 -1.246 20 0 EAADHM C[S@](=O)CC[C@H](N)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001220127283 794249065 /nfs/dbraw/zinc/24/90/65/794249065.db2.gz OQRWAUCGOSXASA-QQOXFEPMSA-N -1 3 331.441 -1.246 20 0 EAADHM N[C@@H](Cc1nn[n-]n1)C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127302 794247912 /nfs/dbraw/zinc/24/79/12/794247912.db2.gz PLUWCRIMXXMZTJ-JTQLQIEISA-N -1 3 335.368 -1.329 20 0 EAADHM N[C@@H](Cc1nnn[n-]1)C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127302 794247906 /nfs/dbraw/zinc/24/79/06/794247906.db2.gz PLUWCRIMXXMZTJ-JTQLQIEISA-N -1 3 335.368 -1.329 20 0 EAADHM N=C(NC(=O)[C@H]1COC2(CNC2)CN1)SCCS(=O)(=O)[O-] ZINC001220127559 794248220 /nfs/dbraw/zinc/24/82/20/794248220.db2.gz ZJZGEOIYUSQKMN-SSDOTTSWSA-N -1 3 338.411 -2.011 20 0 EAADHM N=C(NC(=O)[C@@H]1COC2(CNC2)CN1)SCCS(=O)(=O)[O-] ZINC001220127560 794248564 /nfs/dbraw/zinc/24/85/64/794248564.db2.gz ZJZGEOIYUSQKMN-ZETCQYMHSA-N -1 3 338.411 -2.011 20 0 EAADHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1O ZINC001220198889 794257927 /nfs/dbraw/zinc/25/79/27/794257927.db2.gz CGFLDFOYASICKB-SFYZADRCSA-N -1 3 338.324 -2.540 20 0 EAADHM CCN(C)C(=O)CN1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001220198986 794259167 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EAADHM Cc1nc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)ccc1F ZINC001247599487 794677776 /nfs/dbraw/zinc/67/77/76/794677776.db2.gz BWFIXNRSTBBITR-LPEHRKFASA-N -1 3 327.268 -1.163 20 0 EAADHM Cc1nc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)ccc1F ZINC001247599489 794677679 /nfs/dbraw/zinc/67/76/79/794677679.db2.gz BWFIXNRSTBBITR-OPRDCNLKSA-N -1 3 327.268 -1.163 20 0 EAADHM [O-]C(=C(O)c1nc(-c2cccn3ccnc23)no1)[C@H](O)[C@@H](O)CO ZINC001247599555 794677996 /nfs/dbraw/zinc/67/79/96/794677996.db2.gz DMJXKPKMRXGXPF-IVZWLZJFSA-N -1 3 334.288 -1.358 20 0 EAADHM [O-]C(=C(O)c1nc(-c2cccn3ccnc23)no1)[C@@H](O)[C@H](O)CO ZINC001247599556 794677898 /nfs/dbraw/zinc/67/78/98/794677898.db2.gz DMJXKPKMRXGXPF-KXUCPTDWSA-N -1 3 334.288 -1.358 20 0 EAADHM [O-]C(=C(O)c1nc(-c2cccn3ccnc23)no1)[C@@H](O)[C@@H](O)CO ZINC001247599557 794677982 /nfs/dbraw/zinc/67/79/82/794677982.db2.gz DMJXKPKMRXGXPF-LPEHRKFASA-N -1 3 334.288 -1.358 20 0 EAADHM [O-]C(=C(O)c1nc(-c2cccn3ccnc23)no1)[C@H](O)[C@H](O)CO ZINC001247599558 794677375 /nfs/dbraw/zinc/67/73/75/794677375.db2.gz DMJXKPKMRXGXPF-OPRDCNLKSA-N -1 3 334.288 -1.358 20 0 EAADHM COc1ncc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cc1C ZINC001247599565 794677990 /nfs/dbraw/zinc/67/79/90/794677990.db2.gz DRQFPIQMTLCCPW-IVZWLZJFSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1ncc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cc1C ZINC001247599566 794677016 /nfs/dbraw/zinc/67/70/16/794677016.db2.gz DRQFPIQMTLCCPW-KXUCPTDWSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1ncc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cc1C ZINC001247599568 794677621 /nfs/dbraw/zinc/67/76/21/794677621.db2.gz DRQFPIQMTLCCPW-LPEHRKFASA-N -1 3 339.304 -1.294 20 0 EAADHM COc1ncc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cc1C ZINC001247599569 794677844 /nfs/dbraw/zinc/67/78/44/794677844.db2.gz DRQFPIQMTLCCPW-OPRDCNLKSA-N -1 3 339.304 -1.294 20 0 EAADHM [O-]C(=C(O)c1nc(-c2cccc3ccnn32)no1)[C@@H](O)[C@@H](O)CO ZINC001247599721 794677987 /nfs/dbraw/zinc/67/79/87/794677987.db2.gz HCPBJJBLMMRLPY-GARJFASQSA-N -1 3 334.288 -1.358 20 0 EAADHM [O-]C(=C(O)c1nc(-c2cccc3ccnn32)no1)[C@H](O)[C@H](O)CO ZINC001247599722 794677925 /nfs/dbraw/zinc/67/79/25/794677925.db2.gz HCPBJJBLMMRLPY-GMTAPVOTSA-N -1 3 334.288 -1.358 20 0 EAADHM [O-]C(=C(O)c1nc(-c2cccc3ccnn32)no1)[C@H](O)[C@@H](O)CO ZINC001247599725 794677956 /nfs/dbraw/zinc/67/79/56/794677956.db2.gz HCPBJJBLMMRLPY-HBNTYKKESA-N -1 3 334.288 -1.358 20 0 EAADHM [O-]C(=C(O)c1nc(-c2cccc3ccnn32)no1)[C@@H](O)[C@H](O)CO ZINC001247599726 794677272 /nfs/dbraw/zinc/67/72/72/794677272.db2.gz HCPBJJBLMMRLPY-OUAUKWLOSA-N -1 3 334.288 -1.358 20 0 EAADHM COc1ccncc1-c1noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001247599747 794678004 /nfs/dbraw/zinc/67/80/04/794678004.db2.gz HKQLPOWIKNOOBP-FKTZTGRPSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccncc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247599752 794677162 /nfs/dbraw/zinc/67/71/62/794677162.db2.gz HKQLPOWIKNOOBP-FXBDTBDDSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccncc1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247599753 794677189 /nfs/dbraw/zinc/67/71/89/794677189.db2.gz HKQLPOWIKNOOBP-SZEHBUNVSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccncc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247599754 794677789 /nfs/dbraw/zinc/67/77/89/794677789.db2.gz HKQLPOWIKNOOBP-UJNFCWOMSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1nccc(C)c1-c1noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001247600601 794677249 /nfs/dbraw/zinc/67/72/49/794677249.db2.gz PNZGLGKJWKNYEY-FKTZTGRPSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1nccc(C)c1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247600603 794676940 /nfs/dbraw/zinc/67/69/40/794676940.db2.gz PNZGLGKJWKNYEY-FXBDTBDDSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1nccc(C)c1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247600605 794677408 /nfs/dbraw/zinc/67/74/08/794677408.db2.gz PNZGLGKJWKNYEY-SZEHBUNVSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1nccc(C)c1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247600607 794677809 /nfs/dbraw/zinc/67/78/09/794677809.db2.gz PNZGLGKJWKNYEY-UJNFCWOMSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1cnc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c(C)c1 ZINC001247600893 794677110 /nfs/dbraw/zinc/67/71/10/794677110.db2.gz SATTYXUUWCNJQP-DVVUODLYSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1cnc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c(C)c1 ZINC001247600896 794677218 /nfs/dbraw/zinc/67/72/18/794677218.db2.gz SATTYXUUWCNJQP-FBIMIBRVSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1cnc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c(C)c1 ZINC001247600897 794677890 /nfs/dbraw/zinc/67/78/90/794677890.db2.gz SATTYXUUWCNJQP-INTQDDNPSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1cnc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c(C)c1 ZINC001247600900 794677830 /nfs/dbraw/zinc/67/78/30/794677830.db2.gz SATTYXUUWCNJQP-JMJZKYOTSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1cccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)n1 ZINC001247601482 794677568 /nfs/dbraw/zinc/67/75/68/794677568.db2.gz XNWMNODQLSPXCO-FKTZTGRPSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)n1 ZINC001247601483 794677817 /nfs/dbraw/zinc/67/78/17/794677817.db2.gz XNWMNODQLSPXCO-FXBDTBDDSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)n1 ZINC001247601484 794677697 /nfs/dbraw/zinc/67/76/97/794677697.db2.gz XNWMNODQLSPXCO-SZEHBUNVSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)n1 ZINC001247601486 794677884 /nfs/dbraw/zinc/67/78/84/794677884.db2.gz XNWMNODQLSPXCO-UJNFCWOMSA-N -1 3 325.277 -1.602 20 0 EAADHM CC(=O)c1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)ccn1 ZINC001247601662 794677466 /nfs/dbraw/zinc/67/74/66/794677466.db2.gz ZIXREYUQZRNZLQ-GARJFASQSA-N -1 3 337.288 -1.408 20 0 EAADHM CC(=O)c1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)ccn1 ZINC001247601672 794677202 /nfs/dbraw/zinc/67/72/02/794677202.db2.gz ZIXREYUQZRNZLQ-GMTAPVOTSA-N -1 3 337.288 -1.408 20 0 EAADHM CC(=O)c1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)ccn1 ZINC001247601673 794676944 /nfs/dbraw/zinc/67/69/44/794676944.db2.gz ZIXREYUQZRNZLQ-HBNTYKKESA-N -1 3 337.288 -1.408 20 0 EAADHM CC(=O)c1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)ccn1 ZINC001247601674 794676963 /nfs/dbraw/zinc/67/69/63/794676963.db2.gz ZIXREYUQZRNZLQ-OUAUKWLOSA-N -1 3 337.288 -1.408 20 0 EAADHM COc1ccnc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1 ZINC001247607123 794678964 /nfs/dbraw/zinc/67/89/64/794678964.db2.gz BFHXLSMEZMKQEK-IVZWLZJFSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccnc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c1 ZINC001247607124 794678767 /nfs/dbraw/zinc/67/87/67/794678767.db2.gz BFHXLSMEZMKQEK-KXUCPTDWSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccnc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1 ZINC001247607125 794678396 /nfs/dbraw/zinc/67/83/96/794678396.db2.gz BFHXLSMEZMKQEK-LPEHRKFASA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccnc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1 ZINC001247607126 794678165 /nfs/dbraw/zinc/67/81/65/794678165.db2.gz BFHXLSMEZMKQEK-OPRDCNLKSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ncccc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247607139 794678384 /nfs/dbraw/zinc/67/83/84/794678384.db2.gz BJFVXTZVSKXVCX-DJLDLDEBSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ncccc1-c1noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001247607140 794678958 /nfs/dbraw/zinc/67/89/58/794678958.db2.gz BJFVXTZVSKXVCX-HRDYMLBCSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ncccc1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247607141 794678136 /nfs/dbraw/zinc/67/81/36/794678136.db2.gz BJFVXTZVSKXVCX-IWSPIJDZSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ncccc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247607142 794678434 /nfs/dbraw/zinc/67/84/34/794678434.db2.gz BJFVXTZVSKXVCX-XHNCKOQMSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)nc1 ZINC001247608023 794678845 /nfs/dbraw/zinc/67/88/45/794678845.db2.gz CPZVKSIMNJLFGM-IVZWLZJFSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)nc1 ZINC001247608024 794678493 /nfs/dbraw/zinc/67/84/93/794678493.db2.gz CPZVKSIMNJLFGM-KXUCPTDWSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)nc1 ZINC001247608025 794678741 /nfs/dbraw/zinc/67/87/41/794678741.db2.gz CPZVKSIMNJLFGM-LPEHRKFASA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)nc1 ZINC001247608026 794678415 /nfs/dbraw/zinc/67/84/15/794678415.db2.gz CPZVKSIMNJLFGM-OPRDCNLKSA-N -1 3 325.277 -1.602 20 0 EAADHM [O-]C(=C(O)c1nc(-c2ccc3c(c2)OCO3)no1)[C@H](O)[C@H](O)CO ZINC001247609785 794678114 /nfs/dbraw/zinc/67/81/14/794678114.db2.gz HMQYSVMDYIKIDG-AVPPRXQKSA-N -1 3 338.272 -1.277 20 0 EAADHM [O-]C(=C(O)c1nc(-c2ccc3c(c2)OCO3)no1)[C@@H](O)[C@@H](O)CO ZINC001247609809 794678874 /nfs/dbraw/zinc/67/88/74/794678874.db2.gz HMQYSVMDYIKIDG-BKDNQFJXSA-N -1 3 338.272 -1.277 20 0 EAADHM [O-]C(=C(O)c1nc(-c2ccc3c(c2)OCO3)no1)[C@@H](O)[C@H](O)CO ZINC001247609812 794678542 /nfs/dbraw/zinc/67/85/42/794678542.db2.gz HMQYSVMDYIKIDG-PPKCKEKNSA-N -1 3 338.272 -1.277 20 0 EAADHM [O-]C(=C(O)c1nc(-c2ccc3c(c2)OCO3)no1)[C@H](O)[C@@H](O)CO ZINC001247609814 794679000 /nfs/dbraw/zinc/67/90/00/794679000.db2.gz HMQYSVMDYIKIDG-WHGOUJPWSA-N -1 3 338.272 -1.277 20 0 EAADHM Cn1ncc2ccc(-c3noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n3)cc21 ZINC001247610902 794678901 /nfs/dbraw/zinc/67/89/01/794678901.db2.gz LETBGVBMODVZJM-GRYCIOLGSA-N -1 3 348.315 -1.119 20 0 EAADHM Cn1ncc2ccc(-c3noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n3)cc21 ZINC001247610906 794678813 /nfs/dbraw/zinc/67/88/13/794678813.db2.gz LETBGVBMODVZJM-IJLUTSLNSA-N -1 3 348.315 -1.119 20 0 EAADHM Cn1ncc2ccc(-c3noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n3)cc21 ZINC001247610908 794678996 /nfs/dbraw/zinc/67/89/96/794678996.db2.gz LETBGVBMODVZJM-QJPTWQEYSA-N -1 3 348.315 -1.119 20 0 EAADHM Cn1ncc2ccc(-c3noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n3)cc21 ZINC001247610909 794678882 /nfs/dbraw/zinc/67/88/82/794678882.db2.gz LETBGVBMODVZJM-SDDRHHMPSA-N -1 3 348.315 -1.119 20 0 EAADHM COc1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)ccn1 ZINC001247611282 794679018 /nfs/dbraw/zinc/67/90/18/794679018.db2.gz MNLYOSPSFOKISQ-FKTZTGRPSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)ccn1 ZINC001247611284 794678205 /nfs/dbraw/zinc/67/82/05/794678205.db2.gz MNLYOSPSFOKISQ-FXBDTBDDSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)ccn1 ZINC001247611285 794678339 /nfs/dbraw/zinc/67/83/39/794678339.db2.gz MNLYOSPSFOKISQ-SZEHBUNVSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)ccn1 ZINC001247611287 794678983 /nfs/dbraw/zinc/67/89/83/794678983.db2.gz MNLYOSPSFOKISQ-UJNFCWOMSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cncc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)c1 ZINC001247611894 794678528 /nfs/dbraw/zinc/67/85/28/794678528.db2.gz OLESLEWDMFREIS-IVZWLZJFSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cncc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)c1 ZINC001247611896 794678728 /nfs/dbraw/zinc/67/87/28/794678728.db2.gz OLESLEWDMFREIS-KXUCPTDWSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cncc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)c1 ZINC001247611899 794678916 /nfs/dbraw/zinc/67/89/16/794678916.db2.gz OLESLEWDMFREIS-LPEHRKFASA-N -1 3 325.277 -1.602 20 0 EAADHM COc1cncc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)c1 ZINC001247611900 794678923 /nfs/dbraw/zinc/67/89/23/794678923.db2.gz OLESLEWDMFREIS-OPRDCNLKSA-N -1 3 325.277 -1.602 20 0 EAADHM Cn1cc2cccc(-c3noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n3)c2n1 ZINC001247615213 794678295 /nfs/dbraw/zinc/67/82/95/794678295.db2.gz UTKIVJKSUSEFFQ-ADEWGFFLSA-N -1 3 348.315 -1.119 20 0 EAADHM Cn1cc2cccc(-c3noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n3)c2n1 ZINC001247615216 794678616 /nfs/dbraw/zinc/67/86/16/794678616.db2.gz UTKIVJKSUSEFFQ-MVWJERBFSA-N -1 3 348.315 -1.119 20 0 EAADHM Cn1cc2cccc(-c3noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n3)c2n1 ZINC001247615434 794679015 /nfs/dbraw/zinc/67/90/15/794679015.db2.gz UTKIVJKSUSEFFQ-YUSALJHKSA-N -1 3 348.315 -1.119 20 0 EAADHM Cn1cc2cccc(-c3noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n3)c2n1 ZINC001247615435 794678823 /nfs/dbraw/zinc/67/88/23/794678823.db2.gz UTKIVJKSUSEFFQ-ZMLRMANQSA-N -1 3 348.315 -1.119 20 0 EAADHM COc1nc(C)ccc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247616350 794678630 /nfs/dbraw/zinc/67/86/30/794678630.db2.gz WJLLSKZMJJMSHB-IVZWLZJFSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1nc(C)ccc1-c1noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001247616351 794678181 /nfs/dbraw/zinc/67/81/81/794678181.db2.gz WJLLSKZMJJMSHB-KXUCPTDWSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1nc(C)ccc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247616352 794678662 /nfs/dbraw/zinc/67/86/62/794678662.db2.gz WJLLSKZMJJMSHB-LPEHRKFASA-N -1 3 339.304 -1.294 20 0 EAADHM COc1nc(C)ccc1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247616353 794678686 /nfs/dbraw/zinc/67/86/86/794678686.db2.gz WJLLSKZMJJMSHB-OPRDCNLKSA-N -1 3 339.304 -1.294 20 0 EAADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cn1 ZINC001247616402 794678706 /nfs/dbraw/zinc/67/87/06/794678706.db2.gz WUPLNRKWFRUDDI-FKTZTGRPSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cn1 ZINC001247616403 794679007 /nfs/dbraw/zinc/67/90/07/794679007.db2.gz WUPLNRKWFRUDDI-FXBDTBDDSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cn1 ZINC001247616404 794678257 /nfs/dbraw/zinc/67/82/57/794678257.db2.gz WUPLNRKWFRUDDI-SZEHBUNVSA-N -1 3 325.277 -1.602 20 0 EAADHM COc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cn1 ZINC001247616405 794678939 /nfs/dbraw/zinc/67/89/39/794678939.db2.gz WUPLNRKWFRUDDI-UJNFCWOMSA-N -1 3 325.277 -1.602 20 0 EAADHM [O-]C(=C(O)c1nc(-c2ccc3nccnc3c2)no1)[C@@H](O)[C@H](O)CO ZINC001247616871 794679004 /nfs/dbraw/zinc/67/90/04/794679004.db2.gz YEKQJRSSQMSUTH-GRYCIOLGSA-N -1 3 346.299 -1.063 20 0 EAADHM [O-]C(=C(O)c1nc(-c2ccc3nccnc3c2)no1)[C@H](O)[C@H](O)CO ZINC001247616872 794678927 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-1 3 348.315 -1.119 20 0 EAADHM Cn1ncc2cc(-c3noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n3)ccc21 ZINC001247617339 794678891 /nfs/dbraw/zinc/67/88/91/794678891.db2.gz YNBIAGNGJJSHBX-SDDRHHMPSA-N -1 3 348.315 -1.119 20 0 EAADHM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]C(C(N)=O)C(N)=O)s1 ZINC001250828153 794680952 /nfs/dbraw/zinc/68/09/52/794680952.db2.gz ATHVCDZFMVAZKY-UHFFFAOYSA-N -1 3 335.367 -1.973 20 0 EAADHM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]C(CO)(CO)CO)s1 ZINC001250832563 794680153 /nfs/dbraw/zinc/68/01/53/794680153.db2.gz YQEHMTXWTCYRGE-UHFFFAOYSA-N -1 3 339.395 -1.596 20 0 EAADHM CN(C)S(=O)(=O)[N-]c1cc(N2CCN(CCO)CC2)ncn1 ZINC001251055837 794681456 /nfs/dbraw/zinc/68/14/56/794681456.db2.gz IYBHGZRAPPEBIN-UHFFFAOYSA-N -1 3 330.414 -1.191 20 0 EAADHM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCN2CC=CC2)o1 ZINC001252484366 794690254 /nfs/dbraw/zinc/69/02/54/794690254.db2.gz ZPEUENQUAONSJK-UHFFFAOYSA-N -1 3 342.377 -1.355 20 0 EAADHM CC(C)S(=O)(=O)[N-][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001252579848 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