smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cnnn3)C2)nn1 ZINC001105150252 916116811 /nfs/dbraw/zinc/11/68/11/916116811.db2.gz HPGWLPHBHUILJE-UHFFFAOYSA-N 1 1 303.330 -1.376 20 30 DAEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 ZINC001105199793 916125743 /nfs/dbraw/zinc/12/57/43/916125743.db2.gz IIBGDTKZFUOOSH-CYBMUJFWSA-N 1 1 319.369 -1.395 20 30 DAEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC(n3cc(CNCC#N)nn3)C2)C1 ZINC001105199793 916125755 /nfs/dbraw/zinc/12/57/55/916125755.db2.gz IIBGDTKZFUOOSH-CYBMUJFWSA-N 1 1 319.369 -1.395 20 30 DAEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001114354876 916129531 /nfs/dbraw/zinc/12/95/31/916129531.db2.gz ARVCAANCKKBTON-UUIJZJDISA-N 1 1 320.393 -1.187 20 30 DAEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001114354876 916129546 /nfs/dbraw/zinc/12/95/46/916129546.db2.gz ARVCAANCKKBTON-UUIJZJDISA-N 1 1 320.393 -1.187 20 30 DAEDMO COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136408 916144694 /nfs/dbraw/zinc/14/46/94/916144694.db2.gz HFENQWRVNAELSL-GFCCVEGCSA-N 1 1 312.370 -1.488 20 30 DAEDMO COCC#CC[N@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136408 916144704 /nfs/dbraw/zinc/14/47/04/916144704.db2.gz HFENQWRVNAELSL-GFCCVEGCSA-N 1 1 312.370 -1.488 20 30 DAEDMO COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136409 916144925 /nfs/dbraw/zinc/14/49/25/916144925.db2.gz HFENQWRVNAELSL-LBPRGKRZSA-N 1 1 312.370 -1.488 20 30 DAEDMO COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136409 916144934 /nfs/dbraw/zinc/14/49/34/916144934.db2.gz HFENQWRVNAELSL-LBPRGKRZSA-N 1 1 312.370 -1.488 20 30 DAEDMO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247498 916157578 /nfs/dbraw/zinc/15/75/78/916157578.db2.gz QAALAJULGPFGRM-NSHDSACASA-N 1 1 304.354 -1.067 20 30 DAEDMO 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ZINC000341911933 373242775 /nfs/dbraw/zinc/24/27/75/373242775.db2.gz RFLITWKSBHXIPI-TXEJJXNPSA-N 1 1 308.386 -1.525 20 30 DAEDMO C[NH+]1CCN(C(=O)CCNC(=O)NC[C@]2(O)CCOC2)CC1 ZINC000328834596 373252284 /nfs/dbraw/zinc/25/22/84/373252284.db2.gz LYXXPIGYIZGOEO-CQSZACIVSA-N 1 1 314.386 -1.195 20 30 DAEDMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000331223267 373255288 /nfs/dbraw/zinc/25/52/88/373255288.db2.gz CYJCYRDOGLCMDJ-WDEREUQCSA-N 1 1 302.375 -1.340 20 30 DAEDMO CCS(=O)(=O)NCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330702219 373255745 /nfs/dbraw/zinc/25/57/45/373255745.db2.gz ORKNDMHAEFNTDB-LLVKDONJSA-N 1 1 321.447 -1.325 20 30 DAEDMO C=CCNC(=O)NC(=O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828997 373291472 /nfs/dbraw/zinc/29/14/72/373291472.db2.gz VNFNBLGWEFNIBY-GFCCVEGCSA-N 1 1 323.397 -1.106 20 30 DAEDMO C[NH+](C)C1CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 ZINC000349504713 373303981 /nfs/dbraw/zinc/30/39/81/373303981.db2.gz RBLDRJKQQZERRD-UHFFFAOYSA-N 1 1 324.428 -1.605 20 30 DAEDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000584826887 373312034 /nfs/dbraw/zinc/31/20/34/373312034.db2.gz ZOZNVNISQRTBEH-NWDGAFQWSA-N 1 1 318.399 -1.234 20 30 DAEDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000584826887 373312042 /nfs/dbraw/zinc/31/20/42/373312042.db2.gz ZOZNVNISQRTBEH-NWDGAFQWSA-N 1 1 318.399 -1.234 20 30 DAEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)C[N@H+](C)CC)c1=O ZINC000572257165 373332157 /nfs/dbraw/zinc/33/21/57/373332157.db2.gz GAJZDROYKSRCGI-GFCCVEGCSA-N 1 1 324.381 -1.144 20 30 DAEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1=O ZINC000279197322 373341445 /nfs/dbraw/zinc/34/14/45/373341445.db2.gz KYWHBXSMTPKPQL-PHIMTYICSA-N 1 1 320.349 -1.017 20 30 DAEDMO C#CCNc1nc(NCc2cc[nH]n2)[nH+]c(NCc2cc[nH]n2)n1 ZINC000491180491 373431201 /nfs/dbraw/zinc/43/12/01/373431201.db2.gz MESBCZWBFGQMQS-UHFFFAOYSA-N 1 1 324.352 -1.147 20 30 DAEDMO C#CCNc1nc(NCc2cc[nH]n2)nc(NCc2cc[nH]n2)[nH+]1 ZINC000491180491 373431214 /nfs/dbraw/zinc/43/12/14/373431214.db2.gz MESBCZWBFGQMQS-UHFFFAOYSA-N 1 1 324.352 -1.147 20 30 DAEDMO C=CCNC(=O)NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000444399411 373393753 /nfs/dbraw/zinc/39/37/53/373393753.db2.gz JTUQZRWYHGRDAM-UHFFFAOYSA-N 1 1 314.386 -1.375 20 30 DAEDMO C=CCNC(=O)NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000444399411 373393758 /nfs/dbraw/zinc/39/37/58/373393758.db2.gz JTUQZRWYHGRDAM-UHFFFAOYSA-N 1 1 314.386 -1.375 20 30 DAEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000491621281 373435975 /nfs/dbraw/zinc/43/59/75/373435975.db2.gz GVLUXGKBGGTZQZ-UHFFFAOYSA-N 1 1 322.409 -1.398 20 30 DAEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001192395530 781961591 /nfs/dbraw/zinc/96/15/91/781961591.db2.gz FAADXZSAUVDGIR-BFHYXJOUSA-N 1 1 323.393 -1.144 20 30 DAEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](CC)OC)C[C@H]1O ZINC001192396626 781961819 /nfs/dbraw/zinc/96/18/19/781961819.db2.gz OVSQYWGUNKROBI-JHJVBQTASA-N 1 1 311.382 -1.288 20 30 DAEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192396302 781961979 /nfs/dbraw/zinc/96/19/79/781961979.db2.gz LULDTPYPZMPHFV-VXGBXAGGSA-N 1 1 313.354 -2.704 20 30 DAEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001192395325 781962345 /nfs/dbraw/zinc/96/23/45/781962345.db2.gz BXOQMXJMUKYMEB-MGPQQGTHSA-N 1 1 323.393 -1.286 20 30 DAEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192509927 781969145 /nfs/dbraw/zinc/96/91/45/781969145.db2.gz FWEIPTGXYHLTAK-CHWSQXEVSA-N 1 1 308.382 -1.024 20 30 DAEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192509927 781969153 /nfs/dbraw/zinc/96/91/53/781969153.db2.gz FWEIPTGXYHLTAK-CHWSQXEVSA-N 1 1 308.382 -1.024 20 30 DAEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192530032 781970914 /nfs/dbraw/zinc/97/09/14/781970914.db2.gz IWXRRGLMQKMRLU-BZPMIXESSA-N 1 1 302.371 -1.516 20 30 DAEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192696481 781977841 /nfs/dbraw/zinc/97/78/41/781977841.db2.gz SEGIZBSELDGKMJ-STQMWFEESA-N 1 1 308.382 -1.078 20 30 DAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192724571 781979812 /nfs/dbraw/zinc/97/98/12/781979812.db2.gz VNDYCIQFOJDEHA-GFCCVEGCSA-N 1 1 308.382 -1.253 20 30 DAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001192724571 781979821 /nfs/dbraw/zinc/97/98/21/781979821.db2.gz VNDYCIQFOJDEHA-GFCCVEGCSA-N 1 1 308.382 -1.253 20 30 DAEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001192878730 781983959 /nfs/dbraw/zinc/98/39/59/781983959.db2.gz KPYBKVJDJYJBBO-ZIAGYGMSSA-N 1 1 323.393 -1.286 20 30 DAEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001192878730 781983968 /nfs/dbraw/zinc/98/39/68/781983968.db2.gz KPYBKVJDJYJBBO-ZIAGYGMSSA-N 1 1 323.393 -1.286 20 30 DAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001192844430 781983190 /nfs/dbraw/zinc/98/31/90/781983190.db2.gz SVFIYOBZGAISGT-BFHYXJOUSA-N 1 1 323.393 -1.192 20 30 DAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001192844430 781983196 /nfs/dbraw/zinc/98/31/96/781983196.db2.gz SVFIYOBZGAISGT-BFHYXJOUSA-N 1 1 323.393 -1.192 20 30 DAEDMO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821782 781983219 /nfs/dbraw/zinc/98/32/19/781983219.db2.gz QKZDBBUAAHWZKN-HUUCEWRRSA-N 1 1 323.393 -1.286 20 30 DAEDMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821782 781983227 /nfs/dbraw/zinc/98/32/27/781983227.db2.gz QKZDBBUAAHWZKN-HUUCEWRRSA-N 1 1 323.393 -1.286 20 30 DAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837784 781984598 /nfs/dbraw/zinc/98/45/98/781984598.db2.gz QNVIUPRNBXBVKW-NSHDSACASA-N 1 1 304.354 -1.289 20 30 DAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837784 781984603 /nfs/dbraw/zinc/98/46/03/781984603.db2.gz QNVIUPRNBXBVKW-NSHDSACASA-N 1 1 304.354 -1.289 20 30 DAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837783 781984878 /nfs/dbraw/zinc/98/48/78/781984878.db2.gz QNVIUPRNBXBVKW-LLVKDONJSA-N 1 1 304.354 -1.289 20 30 DAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837783 781984883 /nfs/dbraw/zinc/98/48/83/781984883.db2.gz QNVIUPRNBXBVKW-LLVKDONJSA-N 1 1 304.354 -1.289 20 30 DAEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1O ZINC001192886314 781985337 /nfs/dbraw/zinc/98/53/37/781985337.db2.gz PNUKPTQYMJVWQS-JHJVBQTASA-N 1 1 300.355 -1.805 20 30 DAEDMO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CNC(=O)N2CCCC2)C1 ZINC001192862483 781985463 /nfs/dbraw/zinc/98/54/63/781985463.db2.gz TWWLMHHXYDAGOC-CHWSQXEVSA-N 1 1 308.382 -1.024 20 30 DAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001192899902 781985651 /nfs/dbraw/zinc/98/56/51/781985651.db2.gz WUZJBJSGZHDBAF-JHJVBQTASA-N 1 1 307.354 -1.522 20 30 DAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001192899902 781985664 /nfs/dbraw/zinc/98/56/64/781985664.db2.gz WUZJBJSGZHDBAF-JHJVBQTASA-N 1 1 307.354 -1.522 20 30 DAEDMO COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001192888888 781986027 /nfs/dbraw/zinc/98/60/27/781986027.db2.gz POWNOVALUIELJG-LBPRGKRZSA-N 1 1 322.365 -1.279 20 30 DAEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001192885691 781986198 /nfs/dbraw/zinc/98/61/98/781986198.db2.gz DEODKBAHIYFQEG-MGPQQGTHSA-N 1 1 323.393 -1.192 20 30 DAEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1O ZINC001192885691 781986206 /nfs/dbraw/zinc/98/62/06/781986206.db2.gz DEODKBAHIYFQEG-MGPQQGTHSA-N 1 1 323.393 -1.192 20 30 DAEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C1 ZINC001192887515 781986635 /nfs/dbraw/zinc/98/66/35/781986635.db2.gz DMAMYCBYTYERHU-OLZOCXBDSA-N 1 1 308.382 -1.078 20 30 DAEDMO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001192862223 781986714 /nfs/dbraw/zinc/98/67/14/781986714.db2.gz NWCWULGRVRBIMZ-CHWSQXEVSA-N 1 1 319.361 -1.290 20 30 DAEDMO O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001192862223 781986720 /nfs/dbraw/zinc/98/67/20/781986720.db2.gz NWCWULGRVRBIMZ-CHWSQXEVSA-N 1 1 319.361 -1.290 20 30 DAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001192892174 781986770 /nfs/dbraw/zinc/98/67/70/781986770.db2.gz UOMMYGSILIGYIH-JHJVBQTASA-N 1 1 300.355 -1.805 20 30 DAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001192892174 781986778 /nfs/dbraw/zinc/98/67/78/781986778.db2.gz UOMMYGSILIGYIH-JHJVBQTASA-N 1 1 300.355 -1.805 20 30 DAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193028559 781993453 /nfs/dbraw/zinc/99/34/53/781993453.db2.gz VOPONZFBAWSSNF-GFCCVEGCSA-N 1 1 319.369 -1.655 20 30 DAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001193028559 781993461 /nfs/dbraw/zinc/99/34/61/781993461.db2.gz VOPONZFBAWSSNF-GFCCVEGCSA-N 1 1 319.369 -1.655 20 30 DAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001192899904 781989005 /nfs/dbraw/zinc/98/90/05/781989005.db2.gz WUZJBJSGZHDBAF-YNEHKIRRSA-N 1 1 307.354 -1.522 20 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30 DAEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000875598279 663944255 /nfs/dbraw/zinc/94/42/55/663944255.db2.gz UPTJAGYFFSNBSM-MELADBBJSA-N 1 1 323.393 -1.192 20 30 DAEDMO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000878315515 663952321 /nfs/dbraw/zinc/95/23/21/663952321.db2.gz PYMPGQKCPUKUFM-LBPRGKRZSA-N 1 1 324.410 -1.149 20 30 DAEDMO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](O)(C(=O)OC)C2)CC1 ZINC000880562527 663956201 /nfs/dbraw/zinc/95/62/01/663956201.db2.gz NCIITGHIDSTFIK-HNNXBMFYSA-N 1 1 309.366 -1.626 20 30 DAEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)CC1 ZINC000880562527 663956202 /nfs/dbraw/zinc/95/62/02/663956202.db2.gz NCIITGHIDSTFIK-HNNXBMFYSA-N 1 1 309.366 -1.626 20 30 DAEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC000884047799 663962964 /nfs/dbraw/zinc/96/29/64/663962964.db2.gz LLDRIVFXLFXYQI-LLVKDONJSA-N 1 1 302.400 -1.068 20 30 DAEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC000884047799 663962965 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/nfs/dbraw/zinc/22/82/59/664228259.db2.gz YJHOVSVEUVZXLE-JQWIXIFHSA-N 1 1 305.338 -1.345 20 30 DAEDMO CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC000957972126 664228594 /nfs/dbraw/zinc/22/85/94/664228594.db2.gz YJHOVSVEUVZXLE-ZYHUDNBSSA-N 1 1 305.338 -1.345 20 30 DAEDMO CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H](O)C1 ZINC000957972126 664228596 /nfs/dbraw/zinc/22/85/96/664228596.db2.gz YJHOVSVEUVZXLE-ZYHUDNBSSA-N 1 1 305.338 -1.345 20 30 DAEDMO C#CCC[N@@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC000958097375 664236762 /nfs/dbraw/zinc/23/67/62/664236762.db2.gz XTXRDCRJSYRAPV-ZYHUDNBSSA-N 1 1 300.380 -1.537 20 30 DAEDMO C#CCC[N@H+]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC000958097375 664236764 /nfs/dbraw/zinc/23/67/64/664236764.db2.gz XTXRDCRJSYRAPV-ZYHUDNBSSA-N 1 1 300.380 -1.537 20 30 DAEDMO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC000958220122 664248356 /nfs/dbraw/zinc/24/83/56/664248356.db2.gz SZIYKCPWJPJOMO-AAEUAGOBSA-N 1 1 304.350 -1.220 20 30 DAEDMO C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccoc2CC(N)=O)[C@H](O)C1 ZINC000958349188 664260240 /nfs/dbraw/zinc/26/02/40/664260240.db2.gz GBPVUXKBKZNXDV-ZYHUDNBSSA-N 1 1 305.334 -1.037 20 30 DAEDMO C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)nn1 ZINC000958467676 664268014 /nfs/dbraw/zinc/26/80/14/664268014.db2.gz KUQWJIYOVDEQKM-YPMHNXCESA-N 1 1 309.370 -1.131 20 30 DAEDMO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)n(CC)n2)C1 ZINC000958495420 664272216 /nfs/dbraw/zinc/27/22/16/664272216.db2.gz XXGLYNWJSBZMLI-WCQYABFASA-N 1 1 304.350 -1.081 20 30 DAEDMO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000958581800 664278724 /nfs/dbraw/zinc/27/87/24/664278724.db2.gz SVSPBKSSOLSKTJ-IUCAKERBSA-N 1 1 322.321 -1.448 20 30 DAEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)nc1 ZINC000958592227 664280974 /nfs/dbraw/zinc/28/09/74/664280974.db2.gz NBROQMCGWKWPIF-DGCLKSJQSA-N 1 1 302.334 -1.429 20 30 DAEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)nc1 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C=CCOCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001279490460 775173564 /nfs/dbraw/zinc/17/35/64/775173564.db2.gz NJNNJQNAHCBKLN-AWEZNQCLSA-N 1 1 324.385 -1.181 20 30 DAEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001266853533 775182316 /nfs/dbraw/zinc/18/23/16/775182316.db2.gz NPJHSMOFXKKMMU-NEPJUHHUSA-N 1 1 323.397 -1.059 20 30 DAEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001266853533 775182323 /nfs/dbraw/zinc/18/23/23/775182323.db2.gz NPJHSMOFXKKMMU-NEPJUHHUSA-N 1 1 323.397 -1.059 20 30 DAEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001266856892 775182684 /nfs/dbraw/zinc/18/26/84/775182684.db2.gz IDGIGDMSVLCXDD-OLZOCXBDSA-N 1 1 320.393 -1.015 20 30 DAEDMO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001266856892 775182693 /nfs/dbraw/zinc/18/26/93/775182693.db2.gz IDGIGDMSVLCXDD-OLZOCXBDSA-N 1 1 320.393 -1.015 20 30 DAEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001266856893 775182764 /nfs/dbraw/zinc/18/27/64/775182764.db2.gz IDGIGDMSVLCXDD-STQMWFEESA-N 1 1 320.393 -1.015 20 30 DAEDMO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001266856893 775182766 /nfs/dbraw/zinc/18/27/66/775182766.db2.gz IDGIGDMSVLCXDD-STQMWFEESA-N 1 1 320.393 -1.015 20 30 DAEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)CC(N)=O ZINC001267163577 775207872 /nfs/dbraw/zinc/20/78/72/775207872.db2.gz WLZGGTKTDKBSSD-GFCCVEGCSA-N 1 1 308.382 -1.028 20 30 DAEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001267199402 775211895 /nfs/dbraw/zinc/21/18/95/775211895.db2.gz NJNCMRDPDGYHPO-NEPJUHHUSA-N 1 1 308.382 -1.302 20 30 DAEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001267199402 775211899 /nfs/dbraw/zinc/21/18/99/775211899.db2.gz NJNCMRDPDGYHPO-NEPJUHHUSA-N 1 1 308.382 -1.302 20 30 DAEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1(C(=O)NC)CC1 ZINC001267221646 775215262 /nfs/dbraw/zinc/21/52/62/775215262.db2.gz QWVRMRRWXBQIEH-NSHDSACASA-N 1 1 308.382 -1.302 20 30 DAEDMO 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C#CCNC(=O)C[N@@H+](CC)CCNC(=O)CN1C(=O)CNC1=O ZINC001267255322 775219382 /nfs/dbraw/zinc/21/93/82/775219382.db2.gz XAXVSSDFABRRJP-UHFFFAOYSA-N 1 1 323.353 -2.274 20 30 DAEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC(=O)NCC ZINC001267264725 775219929 /nfs/dbraw/zinc/21/99/29/775219929.db2.gz WAODFHDIRSPSIZ-GFCCVEGCSA-N 1 1 308.382 -1.157 20 30 DAEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(=O)NCC ZINC001267264725 775219933 /nfs/dbraw/zinc/21/99/33/775219933.db2.gz WAODFHDIRSPSIZ-GFCCVEGCSA-N 1 1 308.382 -1.157 20 30 DAEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001267269968 775221591 /nfs/dbraw/zinc/22/15/91/775221591.db2.gz FLEMSRWHTSBCEO-ZDUSSCGKSA-N 1 1 308.382 -1.157 20 30 DAEDMO CNC(=O)NCC(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267294202 775223446 /nfs/dbraw/zinc/22/34/46/775223446.db2.gz DXUJBAXBBXCWHQ-SNVBAGLBSA-N 1 1 310.358 -2.007 20 30 DAEDMO CNC(=O)NCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267294202 775223449 /nfs/dbraw/zinc/22/34/49/775223449.db2.gz 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