smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=O)/C=C/c1ccco1 270766 697617032 /nfs/dbraw/zinc/61/70/32/697617032.db2.gz YPEFKYSIXHJJHH-VOTSOKGWSA-N 0 0 178.231 2.908 10 30 AFEERN C=CCCCC(=O)OCCCC 82080766 697626609 /nfs/dbraw/zinc/62/66/09/697626609.db2.gz FFHZJBYVLDJVJD-UHFFFAOYSA-N 0 0 170.252 2.686 10 30 AFEERN C=C(C)COc1ccc(Cl)nc1 87543264 697629494 /nfs/dbraw/zinc/62/94/94/697629494.db2.gz DXGFJVAVRLLYAI-UHFFFAOYSA-N 0 0 183.638 2.690 10 30 AFEERN CCCCCCCCC(=O)NCC 106167123 697634410 /nfs/dbraw/zinc/63/44/10/697634410.db2.gz ACGGEROLCNXKHZ-UHFFFAOYSA-N 0 0 185.311 2.873 10 30 AFEERN C#CCCOc1cccc(Cl)c1F 130704531 697642159 /nfs/dbraw/zinc/64/21/59/697642159.db2.gz CCNFVAUQGLQITD-UHFFFAOYSA-N 0 0 198.624 2.881 10 30 AFEERN Cc1nc(SCCC#N)sc1C 142168037 697649794 /nfs/dbraw/zinc/64/97/94/697649794.db2.gz FDVRZJTZLOJGCM-UHFFFAOYSA-N 0 0 198.316 2.766 10 30 AFEERN Cc1ccc(SCC#N)s1 146629971 697652806 /nfs/dbraw/zinc/65/28/06/697652806.db2.gz BZOFVLYZFOAVIV-UHFFFAOYSA-N 0 0 169.274 2.672 10 30 AFEERN C#CCCCN(C)c1cccc(C)c1 161115479 697664784 /nfs/dbraw/zinc/66/47/84/697664784.db2.gz ABQCNYMXNAMWGW-UHFFFAOYSA-N 0 0 187.286 2.845 10 30 AFEERN C=C(C)CCOc1cccc(C=O)c1 168855361 697677217 /nfs/dbraw/zinc/67/72/17/697677217.db2.gz NWIYBWVWRDXBGS-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN Cc1cc(CS)c(C)s1 196288695 697679834 /nfs/dbraw/zinc/67/98/34/697679834.db2.gz QCWHUNACWHIEPM-UHFFFAOYSA-N 0 0 158.291 2.795 10 30 AFEERN C=C(C)CON=C1CCCCC1 196434541 697680016 /nfs/dbraw/zinc/68/00/16/697680016.db2.gz AYQYOHCKKHGSQU-UHFFFAOYSA-N 0 0 167.252 2.899 10 30 AFEERN C1CCC(=NO[C@@H]2CCCCO2)CC1 216381667 697684359 /nfs/dbraw/zinc/68/43/59/697684359.db2.gz ARVMMNFQISUSMZ-LLVKDONJSA-N 0 0 197.278 2.850 10 30 AFEERN C1CCC(=NO[C@H]2CCCCO2)CC1 216381708 697684443 /nfs/dbraw/zinc/68/44/43/697684443.db2.gz ARVMMNFQISUSMZ-NSHDSACASA-N 0 0 197.278 2.850 10 30 AFEERN Oc1ccc2ccccc2c1CS 222676885 697686579 /nfs/dbraw/zinc/68/65/79/697686579.db2.gz JFHIOQNMSHBMEQ-UHFFFAOYSA-N 0 0 190.267 2.975 10 30 AFEERN CO/C(C)=N/[C@@H]1C[C@H]1c1ccccc1 223823392 697687677 /nfs/dbraw/zinc/68/76/77/697687677.db2.gz VLPYHMYUTDSDIA-PBZFIDODSA-N 0 0 189.258 2.607 10 30 AFEERN CCCCCCOC(=O)C(C)(C)C#N 224331408 697688490 /nfs/dbraw/zinc/68/84/90/697688490.db2.gz DHLHZPUPIGNFJF-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN CC(C)[C@@H]1CC[C@@H](C)CC1=NO 252370159 697714189 /nfs/dbraw/zinc/71/41/89/697714189.db2.gz XJKYDNDJFRDNHX-BDAKNGLRSA-N 0 0 169.268 2.909 10 30 AFEERN CC(C)[C@@H]1CC[C@H](C)CC1=NO 252370161 697714209 /nfs/dbraw/zinc/71/42/09/697714209.db2.gz XJKYDNDJFRDNHX-IUCAKERBSA-N 0 0 169.268 2.909 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)CC1=NO 252370162 697714214 /nfs/dbraw/zinc/71/42/14/697714214.db2.gz XJKYDNDJFRDNHX-RKDXNWHRSA-N 0 0 169.268 2.909 10 30 AFEERN CC(C)[C@H]1CC[C@H](C)CC1=NO 252370160 697714216 /nfs/dbraw/zinc/71/42/16/697714216.db2.gz XJKYDNDJFRDNHX-DTWKUNHWSA-N 0 0 169.268 2.909 10 30 AFEERN CC(C)SCc1cncc(C#N)c1 260148114 697718507 /nfs/dbraw/zinc/71/85/07/697718507.db2.gz MFGANWONNXEXIO-UHFFFAOYSA-N 0 0 192.287 2.595 10 30 AFEERN C=CCN1CCc2cc(C)ccc21 307172111 697738410 /nfs/dbraw/zinc/73/84/10/697738410.db2.gz HNLWVEQPLNWGOB-UHFFFAOYSA-N 0 0 173.259 2.544 10 30 AFEERN CC1CC(=NOC2CCCC2)C1 307272519 697739898 /nfs/dbraw/zinc/73/98/98/697739898.db2.gz FJIUXSRDSAZLKB-UHFFFAOYSA-N 0 0 167.252 2.732 10 30 AFEERN CC[C@@H]1CCCCC1=NOC 307850422 697752302 /nfs/dbraw/zinc/75/23/02/697752302.db2.gz AUQFRLYJINMHER-MRVPVSSYSA-N 0 0 155.241 2.589 10 30 AFEERN CCON=C(C)C1CCCC1 307891619 697752333 /nfs/dbraw/zinc/75/23/33/697752333.db2.gz FNYBGLXCSFGWHS-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN CCCCCC(C)=NNC1CC1 307947857 697753635 /nfs/dbraw/zinc/75/36/35/697753635.db2.gz ACTIQQPGKROECH-UHFFFAOYSA-N 0 0 168.284 2.695 10 30 AFEERN CON=CCCC1CCCCC1 307991642 697754801 /nfs/dbraw/zinc/75/48/01/697754801.db2.gz TXSZILJTFXZQIW-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN C=CCCOC(=O)[C@@H](C)CCC 308011125 697754877 /nfs/dbraw/zinc/75/48/77/697754877.db2.gz GAVHVMRMKMBGLK-VIFPVBQESA-N 0 0 170.252 2.542 10 30 AFEERN CC[C@H](C)C=NNC1CCCC1 308028956 697755283 /nfs/dbraw/zinc/75/52/83/697755283.db2.gz IEROGRUVCFALSI-VIFPVBQESA-N 0 0 168.284 2.551 10 30 AFEERN CC[C@@H](C)C=NNC1CCCC1 308028953 697755390 /nfs/dbraw/zinc/75/53/90/697755390.db2.gz IEROGRUVCFALSI-SECBINFHSA-N 0 0 168.284 2.551 10 30 AFEERN C=C(C)COC(=O)[C@@H](C)CC(=C)C 308133039 697756987 /nfs/dbraw/zinc/75/69/87/697756987.db2.gz CFFPTFDJTFTPDA-JTQLQIEISA-N 0 0 182.263 2.708 10 30 AFEERN C=CCOC(=O)C[C@H](C)CC(C)C 308135014 697757532 /nfs/dbraw/zinc/75/75/32/697757532.db2.gz DRQWTEUACPOYKI-SNVBAGLBSA-N 0 0 184.279 2.788 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)/C(=C\C)CC 308136557 697757620 /nfs/dbraw/zinc/75/76/20/697757620.db2.gz ADFNAHOCAUJORG-WPVMNKCKSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)/C(=C/C)CC 308136553 697757655 /nfs/dbraw/zinc/75/76/55/697757655.db2.gz ADFNAHOCAUJORG-CMWXKVOJSA-N 0 0 182.263 2.851 10 30 AFEERN C#CCCCSCC(=O)C(C)(C)C 308133126 697757657 /nfs/dbraw/zinc/75/76/57/697757657.db2.gz CKCCWSSUPPZPRF-UHFFFAOYSA-N 0 0 198.331 2.748 10 30 AFEERN CCON=C1CC(C)(C)C[C@H]1C 308139179 697757662 /nfs/dbraw/zinc/75/76/62/697757662.db2.gz GGQMQKLYQOLZPS-MRVPVSSYSA-N 0 0 169.268 2.835 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)/C(=C/C)CC 308136558 697757693 /nfs/dbraw/zinc/75/76/93/697757693.db2.gz ADFNAHOCAUJORG-ZFZMKPAXSA-N 0 0 182.263 2.851 10 30 AFEERN CCON=C1CC(C)(C)C[C@@H]1C 308139180 697758199 /nfs/dbraw/zinc/75/81/99/697758199.db2.gz GGQMQKLYQOLZPS-QMMMGPOBSA-N 0 0 169.268 2.835 10 30 AFEERN C=CCCCOC(=O)/C(=C/C)CC 308180441 697759891 /nfs/dbraw/zinc/75/98/91/697759891.db2.gz GZHGOMQKDAQAEN-BJMVGYQFSA-N 0 0 182.263 2.852 10 30 AFEERN C=CCCCOC(=O)/C(=C\C)CC 308180443 697759936 /nfs/dbraw/zinc/75/99/36/697759936.db2.gz GZHGOMQKDAQAEN-YHYXMXQVSA-N 0 0 182.263 2.852 10 30 AFEERN C=C[C@@H](C)OC(=O)/C=C(/C)CCC 308211039 697760362 /nfs/dbraw/zinc/76/03/62/697760362.db2.gz GKHFBJQJELQIGU-HSTULFTRSA-N 0 0 182.263 2.851 10 30 AFEERN C[C@@H]1CC[C@@H](C=NOC2CCC2)C1 308251709 697761515 /nfs/dbraw/zinc/76/15/15/697761515.db2.gz BMVGWQKANOCIEO-NXEZZACHSA-N 0 0 181.279 2.978 10 30 AFEERN C=C[C@@](C)(CC)C(=O)OCC(=C)C 308251695 697761527 /nfs/dbraw/zinc/76/15/27/697761527.db2.gz BMACTVKVFLWZKJ-NSHDSACASA-N 0 0 182.263 2.708 10 30 AFEERN C[C@H]1CC[C@H](C=NOC2CCC2)C1 308251710 697761624 /nfs/dbraw/zinc/76/16/24/697761624.db2.gz BMVGWQKANOCIEO-UWVGGRQHSA-N 0 0 181.279 2.978 10 30 AFEERN CCSCOc1ccccc1C#N 308274946 697763886 /nfs/dbraw/zinc/76/38/86/697763886.db2.gz VCDWCSCWRNGOCQ-UHFFFAOYSA-N 0 0 193.271 2.648 10 30 AFEERN C=C[C@@H](C)OC(=O)c1csc(C)c1 308286314 697764748 /nfs/dbraw/zinc/76/47/48/697764748.db2.gz ZEARKEGSOWXBRD-SSDOTTSWSA-N 0 0 196.271 2.788 10 30 AFEERN C=C[C@H](C)OC(=O)c1csc(C)c1 308286315 697764840 /nfs/dbraw/zinc/76/48/40/697764840.db2.gz ZEARKEGSOWXBRD-ZETCQYMHSA-N 0 0 196.271 2.788 10 30 AFEERN C=CCCC(=O)O[C@@H](C)CCC=C 308286876 697765263 /nfs/dbraw/zinc/76/52/63/697765263.db2.gz ZIUDAXNEXTXAOT-JTQLQIEISA-N 0 0 182.263 2.851 10 30 AFEERN C=C[C@@H](C)OC(=O)CCC(C)(F)F 308287828 697765389 /nfs/dbraw/zinc/76/53/89/697765389.db2.gz ZVTBPKQDRSXQBY-SSDOTTSWSA-N 0 0 192.205 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)CCC(C)(F)F 308287829 697765393 /nfs/dbraw/zinc/76/53/93/697765393.db2.gz ZVTBPKQDRSXQBY-ZETCQYMHSA-N 0 0 192.205 2.540 10 30 AFEERN C=CCCC(=O)O[C@H](C)CCC=C 308286877 697765572 /nfs/dbraw/zinc/76/55/72/697765572.db2.gz ZIUDAXNEXTXAOT-SNVBAGLBSA-N 0 0 182.263 2.851 10 30 AFEERN C(=NOCCC1CC1)[C@@H]1CCSC1 308288697 697765598 /nfs/dbraw/zinc/76/55/98/697765598.db2.gz CLFMNATYQQJBOM-JTQLQIEISA-N 0 0 199.319 2.542 10 30 AFEERN C=CCCCOC(=O)c1ccsc1 308327344 697767284 /nfs/dbraw/zinc/76/72/84/697767284.db2.gz HISWICXYTWGSJQ-UHFFFAOYSA-N 0 0 196.271 2.871 10 30 AFEERN CCCCCCN(CC#N)C1CC1 308327498 697767371 /nfs/dbraw/zinc/76/73/71/697767371.db2.gz GLZXVDXVGFLLSG-UHFFFAOYSA-N 0 0 180.295 2.555 10 30 AFEERN C=C(C)CCOC(=O)CC1(C)CC1 308327403 697767425 /nfs/dbraw/zinc/76/74/25/697767425.db2.gz HNIGKIKSNZYTDW-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C[C@@H](CC)OC(=O)C1(C)CCC1 308330740 697767657 /nfs/dbraw/zinc/76/76/57/697767657.db2.gz IRZGUEWPNVYHEV-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@H](CC)OC(=O)C1(C)CCC1 308330739 697767728 /nfs/dbraw/zinc/76/77/28/697767728.db2.gz IRZGUEWPNVYHEV-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)CCOC(=O)CC(C)(F)F 308330882 697767747 /nfs/dbraw/zinc/76/77/47/697767747.db2.gz KNPGKLDYCJSJPG-UHFFFAOYSA-N 0 0 192.205 2.541 10 30 AFEERN C=C(C)CNN=Cc1sccc1C 308334715 697768147 /nfs/dbraw/zinc/76/81/47/697768147.db2.gz NFMBJGCJAIQQEJ-UHFFFAOYSA-N 0 0 194.303 2.556 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@H]1CC1(C)C 308380315 697768782 /nfs/dbraw/zinc/76/87/82/697768782.db2.gz UNGFQOMENPYWNR-DTWKUNHWSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](CC)OC(=O)c1ccsc1 308423186 697770870 /nfs/dbraw/zinc/77/08/70/697770870.db2.gz PLEASVROCMNLQG-SECBINFHSA-N 0 0 196.271 2.870 10 30 AFEERN C=C[C@H](CC)OC(=O)CCC(C)C 308424397 697771037 /nfs/dbraw/zinc/77/10/37/697771037.db2.gz QCSHFBOCBKXISZ-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)CCC(C)C 308424393 697771045 /nfs/dbraw/zinc/77/10/45/697771045.db2.gz QCSHFBOCBKXISZ-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C#CCON=C1CCC[C@@H]1CCC 308426729 697771623 /nfs/dbraw/zinc/77/16/23/697771623.db2.gz RPNNDASBAFRPSI-JTQLQIEISA-N 0 0 179.263 2.592 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)O[C@@H](C)CC 308452435 697772812 /nfs/dbraw/zinc/77/28/12/697772812.db2.gz DYEWGSBGPJLCLL-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN CC#CCCCCOC(=O)CCC 308451008 697772829 /nfs/dbraw/zinc/77/28/29/697772829.db2.gz DKARFZAESLXKNX-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN C=C(C)C[C@H](C)C(=O)O[C@H](C)CC 308452434 697772861 /nfs/dbraw/zinc/77/28/61/697772861.db2.gz DYEWGSBGPJLCLL-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN C=CCCCc1nc(C2(C)CC2)no1 351177717 697782855 /nfs/dbraw/zinc/78/28/55/697782855.db2.gz STZXQZWSATWHPS-UHFFFAOYSA-N 0 0 192.262 2.630 10 30 AFEERN CC(C)CON=C1CCC[C@H]2C[C@@H]12 378665776 697783488 /nfs/dbraw/zinc/78/34/88/697783488.db2.gz GEXUASWYZAYLST-VHSXEESVSA-N 0 0 181.279 2.835 10 30 AFEERN CC(C)C1CC(=NOCC(F)F)C1 378751905 697786228 /nfs/dbraw/zinc/78/62/28/697786228.db2.gz PGHOJEDPKNSJMW-UHFFFAOYSA-N 0 0 191.221 2.690 10 30 AFEERN C#CCOCSC(C)(C)C(C)C 378772636 697786497 /nfs/dbraw/zinc/78/64/97/697786497.db2.gz CXPFMFTYXLLMMZ-UHFFFAOYSA-N 0 0 186.320 2.762 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1C 378773039 697786553 /nfs/dbraw/zinc/78/65/53/697786553.db2.gz GNBMNPRFPPPZCX-OPRDCNLKSA-N 0 0 182.263 2.540 10 30 AFEERN CCSCCN=Nc1ccccc1 378791535 697787788 /nfs/dbraw/zinc/78/77/88/697787788.db2.gz MYVLNHIYVGRIGU-UHFFFAOYSA-N 0 0 194.303 2.837 10 30 AFEERN CC(C)[C@H]1CCC1=NOCC1CC1 378795492 697787968 /nfs/dbraw/zinc/78/79/68/697787968.db2.gz QBSNNDXWIXYZKK-SNVBAGLBSA-N 0 0 181.279 2.835 10 30 AFEERN CC(C)[C@@H]1CCC1=NOCC1CC1 378795491 697788069 /nfs/dbraw/zinc/78/80/69/697788069.db2.gz QBSNNDXWIXYZKK-JTQLQIEISA-N 0 0 181.279 2.835 10 30 AFEERN C=C(C)CNN=Cc1ccsc1C 378808293 697788913 /nfs/dbraw/zinc/78/89/13/697788913.db2.gz ZSFIRMCXARTVEE-UHFFFAOYSA-N 0 0 194.303 2.556 10 30 AFEERN CC(=NOCC(F)F)[C@@H]1CC1(C)C 378848134 697789388 /nfs/dbraw/zinc/78/93/88/697789388.db2.gz BLZJNRIOTQEJJV-ZETCQYMHSA-N 0 0 191.221 2.690 10 30 AFEERN C1C[C@H](C2CC2)C1=NOCC1CC1 378848549 697789431 /nfs/dbraw/zinc/78/94/31/697789431.db2.gz CBBLOOMUPRNYIB-SNVBAGLBSA-N 0 0 179.263 2.589 10 30 AFEERN Cc1sccc1C=NOC1CCC1 378848811 697789469 /nfs/dbraw/zinc/78/94/69/697789469.db2.gz CGVTXVIFLYOOTB-UHFFFAOYSA-N 0 0 195.287 2.960 10 30 AFEERN CC1CC(=NOC/C=C\Cl)C1 378851237 697789500 /nfs/dbraw/zinc/78/95/00/697789500.db2.gz FQLQFZHTGJSEOG-HYLKIPDPSA-N 0 0 173.643 2.541 10 30 AFEERN C1C[C@@H](C2CC2)C1=NOCC1CC1 378848548 697789512 /nfs/dbraw/zinc/78/95/12/697789512.db2.gz CBBLOOMUPRNYIB-JTQLQIEISA-N 0 0 179.263 2.589 10 30 AFEERN Cc1sccc1C=NOCC1CC1 378851095 697789516 /nfs/dbraw/zinc/78/95/16/697789516.db2.gz FNWDDZCWJBXTKB-UHFFFAOYSA-N 0 0 195.287 2.817 10 30 AFEERN CC(=NOCC(F)F)[C@H]1CC1(C)C 378848133 697789571 /nfs/dbraw/zinc/78/95/71/697789571.db2.gz BLZJNRIOTQEJJV-SSDOTTSWSA-N 0 0 191.221 2.690 10 30 AFEERN CC(CC(F)(F)F)=NOCC(C)C 378849334 697789637 /nfs/dbraw/zinc/78/96/37/697789637.db2.gz CTLKPBOEDLODLW-UHFFFAOYSA-N 0 0 197.200 2.987 10 30 AFEERN CC(C)CON=C1C[C@@H](C)[C@@H]1C 378853293 697790000 /nfs/dbraw/zinc/79/00/00/697790000.db2.gz HSGWASYALSFMDK-BDAKNGLRSA-N 0 0 169.268 2.691 10 30 AFEERN CC(C)CCC=NOCC(F)(F)F 378852588 697790096 /nfs/dbraw/zinc/79/00/96/697790096.db2.gz HBUPPYBSKGXPLU-UHFFFAOYSA-N 0 0 197.200 2.987 10 30 AFEERN CC(C)CON=C1C[C@H](C)[C@@H]1C 378853297 697790104 /nfs/dbraw/zinc/79/01/04/697790104.db2.gz HSGWASYALSFMDK-IUCAKERBSA-N 0 0 169.268 2.691 10 30 AFEERN CSCCCC=NOCC(C)C 378852238 697790111 /nfs/dbraw/zinc/79/01/11/697790111.db2.gz GRTPHACIMDUEKC-UHFFFAOYSA-N 0 0 189.324 2.788 10 30 AFEERN CON=C1CCCC12CCCC2 378853716 697790123 /nfs/dbraw/zinc/79/01/23/697790123.db2.gz ICSFXSUDJJCWBW-UHFFFAOYSA-N 0 0 167.252 2.733 10 30 AFEERN CC(C)CON=C1C[C@H](C)[C@H]1C 378853295 697790170 /nfs/dbraw/zinc/79/01/70/697790170.db2.gz HSGWASYALSFMDK-DTWKUNHWSA-N 0 0 169.268 2.691 10 30 AFEERN CC(C)CON=C1C[C@@H](C)[C@H]1C 378853299 697790221 /nfs/dbraw/zinc/79/02/21/697790221.db2.gz HSGWASYALSFMDK-RKDXNWHRSA-N 0 0 169.268 2.691 10 30 AFEERN C1CSCC(=NOCCC2CC2)C1 378858606 697790631 /nfs/dbraw/zinc/79/06/31/697790631.db2.gz MSYQTLCMCDHXGS-UHFFFAOYSA-N 0 0 199.319 2.686 10 30 AFEERN CCON=CC1CCC(C)CC1 378859962 697791191 /nfs/dbraw/zinc/79/11/91/697791191.db2.gz NYNXJCKUHZWENH-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN C[C@@H]1CCC(=NOC/C=C/Cl)C1 378867688 697792664 /nfs/dbraw/zinc/79/26/64/697792664.db2.gz FVTFPSOIAGBWEP-DGCRQAGFSA-N 0 0 187.670 2.932 10 30 AFEERN C[C@H]1CCC(=NOC/C=C/Cl)C1 378867690 697792729 /nfs/dbraw/zinc/79/27/29/697792729.db2.gz FVTFPSOIAGBWEP-VQIXJULGSA-N 0 0 187.670 2.932 10 30 AFEERN C[C@@H]1CCC(=NOCC(F)(F)F)C1 378867781 697792740 /nfs/dbraw/zinc/79/27/40/697792740.db2.gz GCFFFQOLBWUYDY-ZCFIWIBFSA-N 0 0 195.184 2.741 10 30 AFEERN C#CCON=C(CCC)CCC=C 378866802 697792757 /nfs/dbraw/zinc/79/27/57/697792757.db2.gz COQQSYPLDMQKSP-UHFFFAOYSA-N 0 0 179.263 2.759 10 30 AFEERN C[C@H]1CCC(=NOCC(F)(F)F)C1 378867780 697792784 /nfs/dbraw/zinc/79/27/84/697792784.db2.gz GCFFFQOLBWUYDY-LURJTMIESA-N 0 0 195.184 2.741 10 30 AFEERN C[C@H]1CCC(=NOC/C=C\Cl)C1 378867691 697792952 /nfs/dbraw/zinc/79/29/52/697792952.db2.gz FVTFPSOIAGBWEP-ZBAQLRKFSA-N 0 0 187.670 2.932 10 30 AFEERN C[C@@H]1CCC(=NOC/C=C\Cl)C1 378867689 697793009 /nfs/dbraw/zinc/79/30/09/697793009.db2.gz FVTFPSOIAGBWEP-MRBQDOQASA-N 0 0 187.670 2.932 10 30 AFEERN C1CSCC(=NOC2CCCC2)C1 378868903 697793251 /nfs/dbraw/zinc/79/32/51/697793251.db2.gz ISECBUDIMWTARD-UHFFFAOYSA-N 0 0 199.319 2.829 10 30 AFEERN CC[C@@H](C)NN=C(C)[C@@H]1CC1(C)C 378873668 697793802 /nfs/dbraw/zinc/79/38/02/697793802.db2.gz UXXIFXNPQMWFGC-SCZZXKLOSA-N 0 0 182.311 2.797 10 30 AFEERN CC[C@H](C)NN=C(C)[C@H]1CC1(C)C 378873669 697793831 /nfs/dbraw/zinc/79/38/31/697793831.db2.gz UXXIFXNPQMWFGC-WCBMZHEXSA-N 0 0 182.311 2.797 10 30 AFEERN CC[C@H](C)NN=C(C)[C@@H]1CC1(C)C 378873670 697793912 /nfs/dbraw/zinc/79/39/12/697793912.db2.gz UXXIFXNPQMWFGC-WPRPVWTQSA-N 0 0 182.311 2.797 10 30 AFEERN CC[C@@H](C)NN=C(C)[C@H]1CC1(C)C 378873667 697793937 /nfs/dbraw/zinc/79/39/37/697793937.db2.gz UXXIFXNPQMWFGC-PSASIEDQSA-N 0 0 182.311 2.797 10 30 AFEERN C#CCOCSc1ccccc1C 378906642 697795100 /nfs/dbraw/zinc/79/51/00/697795100.db2.gz GWMDBRWMOSUROP-UHFFFAOYSA-N 0 0 192.283 2.694 10 30 AFEERN CCCC(CCC)=NOCC 378937549 697795257 /nfs/dbraw/zinc/79/52/57/697795257.db2.gz FIBGIVYJBXLVJK-UHFFFAOYSA-N 0 0 157.257 2.979 10 30 AFEERN CCC[C@H]1CCCC1=NOC 378972180 697796333 /nfs/dbraw/zinc/79/63/33/697796333.db2.gz JQXDWQAABYHDDP-QMMMGPOBSA-N 0 0 155.241 2.589 10 30 AFEERN CCC[C@@H]1CCCC1=NOC 378972179 697796401 /nfs/dbraw/zinc/79/64/01/697796401.db2.gz JQXDWQAABYHDDP-MRVPVSSYSA-N 0 0 155.241 2.589 10 30 AFEERN C=C(C)CN(CC)CC(=C)Cl 379147806 697798201 /nfs/dbraw/zinc/79/82/01/697798201.db2.gz AXMBGCMXZGPUHL-UHFFFAOYSA-N 0 0 173.687 2.637 10 30 AFEERN CCC(CC)=NN[C@H](C)CC 379213180 697800182 /nfs/dbraw/zinc/80/01/82/697800182.db2.gz GBKFLQMYMYMZLI-MRVPVSSYSA-N 0 0 156.273 2.551 10 30 AFEERN CCC(CC)=NN[C@@H](C)CC 379213181 697800208 /nfs/dbraw/zinc/80/02/08/697800208.db2.gz GBKFLQMYMYMZLI-QMMMGPOBSA-N 0 0 156.273 2.551 10 30 AFEERN C#CCCCSCC1CCC1 379224167 697800535 /nfs/dbraw/zinc/80/05/35/697800535.db2.gz LJZSQEDCNKNFIL-UHFFFAOYSA-N 0 0 168.305 2.933 10 30 AFEERN CC(C)CC=NOC/C=C\Cl 379246280 697800864 /nfs/dbraw/zinc/80/08/64/697800864.db2.gz ASKXZYIGJBLVSR-BATBFZJYSA-N 0 0 175.659 2.787 10 30 AFEERN CC(C)CC=NOC/C=C/Cl 379246281 697800955 /nfs/dbraw/zinc/80/09/55/697800955.db2.gz ASKXZYIGJBLVSR-MPSCHTTFSA-N 0 0 175.659 2.787 10 30 AFEERN CC#CCCSCCSCC 379253191 697801617 /nfs/dbraw/zinc/80/16/17/697801617.db2.gz GZRFGTXZFGMLIO-UHFFFAOYSA-N 0 0 188.361 2.886 10 30 AFEERN CCC(CC)=NOCCSC 379251258 697801898 /nfs/dbraw/zinc/80/18/98/697801898.db2.gz FOKKUOKFHGYCNV-UHFFFAOYSA-N 0 0 175.297 2.542 10 30 AFEERN C=C(Cl)CSCCCCOC 379284337 697803288 /nfs/dbraw/zinc/80/32/88/697803288.db2.gz GAEVPLRHLKVOJN-UHFFFAOYSA-N 0 0 194.727 2.899 10 30 AFEERN CC(C)CON=CC1(C)CCC1 379310743 697803553 /nfs/dbraw/zinc/80/35/53/697803553.db2.gz AGSWAULGLQZVOA-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN CON=C(C)CCC(C)(C)C 379303810 697803610 /nfs/dbraw/zinc/80/36/10/697803610.db2.gz RFSIJOWGYWWBMT-UHFFFAOYSA-N 0 0 157.257 2.835 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H](C)CC 379314124 697807739 /nfs/dbraw/zinc/80/77/39/697807739.db2.gz LLPJRTNVIPIPOZ-BDAKNGLRSA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H](C)CC 379314126 697807772 /nfs/dbraw/zinc/80/77/72/697807772.db2.gz LLPJRTNVIPIPOZ-IUCAKERBSA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H](C)CC 379314125 697807916 /nfs/dbraw/zinc/80/79/16/697807916.db2.gz LLPJRTNVIPIPOZ-DTWKUNHWSA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@H](C)CC 379314127 697807965 /nfs/dbraw/zinc/80/79/65/697807965.db2.gz LLPJRTNVIPIPOZ-RKDXNWHRSA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)CC(C)(C)C 379315358 697809187 /nfs/dbraw/zinc/80/91/87/697809187.db2.gz AVRBSWCXQJIBJU-QMMMGPOBSA-N 0 0 170.252 2.540 10 30 AFEERN CC(C)(C)CCON=C1CCC1 379315019 697809281 /nfs/dbraw/zinc/80/92/81/697809281.db2.gz ABURPVQIDGDCTL-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN C=C[C@@H](C)OC(=O)CC(C)(C)C 379315357 697809311 /nfs/dbraw/zinc/80/93/11/697809311.db2.gz AVRBSWCXQJIBJU-MRVPVSSYSA-N 0 0 170.252 2.540 10 30 AFEERN C=CCCON=Cc1cccs1 379316641 697810312 /nfs/dbraw/zinc/81/03/12/697810312.db2.gz BIRAPNOOJUJDAR-UHFFFAOYSA-N 0 0 181.260 2.675 10 30 AFEERN CC[C@H](C)CON=CC1(F)CC1 379316388 697810481 /nfs/dbraw/zinc/81/04/81/697810481.db2.gz YOZQPPDOGGRBSJ-QMMMGPOBSA-N 0 0 173.231 2.537 10 30 AFEERN CC[C@@H](C)CON=CC1(F)CC1 379316387 697810605 /nfs/dbraw/zinc/81/06/05/697810605.db2.gz YOZQPPDOGGRBSJ-MRVPVSSYSA-N 0 0 173.231 2.537 10 30 AFEERN CC(C)(C)C=NOC1CCCC1 379317120 697811163 /nfs/dbraw/zinc/81/11/63/697811163.db2.gz DGMONQXMRYSXPJ-UHFFFAOYSA-N 0 0 169.268 2.978 10 30 AFEERN C#CCCCSCCCCC#N 379320444 697813862 /nfs/dbraw/zinc/81/38/62/697813862.db2.gz WPKMLPIWLKBQHU-UHFFFAOYSA-N 0 0 181.304 2.827 10 30 AFEERN C=CCCC(C)=NOC1CCC1 379322255 697815247 /nfs/dbraw/zinc/81/52/47/697815247.db2.gz HWAKDQXWMAXKBN-UHFFFAOYSA-N 0 0 167.252 2.898 10 30 AFEERN CC(=NOC/C=C\Cl)C1CCC1 379322057 697815379 /nfs/dbraw/zinc/81/53/79/697815379.db2.gz GSUXSITZGKEMAK-MVCZCJKUSA-N 0 0 187.670 2.932 10 30 AFEERN CC(=NOC/C=C/Cl)C1CCC1 379322058 697815585 /nfs/dbraw/zinc/81/55/85/697815585.db2.gz GSUXSITZGKEMAK-ULGALBEWSA-N 0 0 187.670 2.932 10 30 AFEERN CSCCON=CC1CCCC1 379324961 697817814 /nfs/dbraw/zinc/81/78/14/697817814.db2.gz AFGAEKWPVGTWSA-UHFFFAOYSA-N 0 0 187.308 2.542 10 30 AFEERN CCCC(CCC)=NNC1CC1 379325649 697818527 /nfs/dbraw/zinc/81/85/27/697818527.db2.gz DHGVTZDLHXWJNP-UHFFFAOYSA-N 0 0 168.284 2.695 10 30 AFEERN CCCCC(C)=NOCC1CC1 379325794 697818659 /nfs/dbraw/zinc/81/86/59/697818659.db2.gz DWBOUSCKPBXXIH-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN CCON=C[C@H]1CCCC[C@H]1C 379326693 697819350 /nfs/dbraw/zinc/81/93/50/697819350.db2.gz ANQCYNQFAWXTTF-NXEZZACHSA-N 0 0 169.268 2.835 10 30 AFEERN CCCC[C@H]1CCCC1=NOC 379326186 697819433 /nfs/dbraw/zinc/81/94/33/697819433.db2.gz GQVUZTOHPBAZTF-VIFPVBQESA-N 0 0 169.268 2.979 10 30 AFEERN CCCC[C@@H]1CCCC1=NOC 379326185 697819547 /nfs/dbraw/zinc/81/95/47/697819547.db2.gz GQVUZTOHPBAZTF-SECBINFHSA-N 0 0 169.268 2.979 10 30 AFEERN CCON=C[C@@H]1CCCC[C@@H]1C 379326694 697819598 /nfs/dbraw/zinc/81/95/98/697819598.db2.gz ANQCYNQFAWXTTF-UWVGGRQHSA-N 0 0 169.268 2.835 10 30 AFEERN CCON=C[C@@H]1CCCC[C@H]1C 379326696 697819697 /nfs/dbraw/zinc/81/96/97/697819697.db2.gz ANQCYNQFAWXTTF-ZJUUUORDSA-N 0 0 169.268 2.835 10 30 AFEERN CCON=C[C@H]1CCCC[C@@H]1C 379326695 697819706 /nfs/dbraw/zinc/81/97/06/697819706.db2.gz ANQCYNQFAWXTTF-VHSXEESVSA-N 0 0 169.268 2.835 10 30 AFEERN C#CCCCS[C@@H](C)CCOC 379328971 697822788 /nfs/dbraw/zinc/82/27/88/697822788.db2.gz RXGNIWJHMIBYTK-JTQLQIEISA-N 0 0 186.320 2.558 10 30 AFEERN C#CCCCS[C@H](C)CCOC 379328972 697822878 /nfs/dbraw/zinc/82/28/78/697822878.db2.gz RXGNIWJHMIBYTK-SNVBAGLBSA-N 0 0 186.320 2.558 10 30 AFEERN CSCCON=C1CCCCC1 379330321 697824869 /nfs/dbraw/zinc/82/48/69/697824869.db2.gz AIAVGFFABUYFBT-UHFFFAOYSA-N 0 0 187.308 2.686 10 30 AFEERN CCC[C@@H](C)C=NOCC1CC1 379330998 697825148 /nfs/dbraw/zinc/82/51/48/697825148.db2.gz ZGTYMOSPBOJYPR-SECBINFHSA-N 0 0 169.268 2.835 10 30 AFEERN CCC[C@H](C)C=NOCC1CC1 379330999 697825334 /nfs/dbraw/zinc/82/53/34/697825334.db2.gz ZGTYMOSPBOJYPR-VIFPVBQESA-N 0 0 169.268 2.835 10 30 AFEERN CCON=Cc1ccc(CC)s1 379331976 697826238 /nfs/dbraw/zinc/82/62/38/697826238.db2.gz GTKWERSTQVKQCY-UHFFFAOYSA-N 0 0 183.276 2.681 10 30 AFEERN CC(C)(C)CC=NOCC1CC1 379331696 697826299 /nfs/dbraw/zinc/82/62/99/697826299.db2.gz FHJGXLPDJOWCDF-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN CCON=C1CCC[C@H]2C[C@@]12C 379335525 697829070 /nfs/dbraw/zinc/82/90/70/697829070.db2.gz ORXUYLIIYDLOKO-WCBMZHEXSA-N 0 0 167.252 2.589 10 30 AFEERN CCON=C1CCC[C@@H]2C[C@]12C 379335523 697829187 /nfs/dbraw/zinc/82/91/87/697829187.db2.gz ORXUYLIIYDLOKO-SCZZXKLOSA-N 0 0 167.252 2.589 10 30 AFEERN CCCCON=Cc1cccs1 379338009 697831240 /nfs/dbraw/zinc/83/12/40/697831240.db2.gz BQSIIQINGGACGG-UHFFFAOYSA-N 0 0 183.276 2.899 10 30 AFEERN C=CCCOC(=O)C(CC)CC 379338150 697831834 /nfs/dbraw/zinc/83/18/34/697831834.db2.gz DPVNCDQVQZKPRO-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=C(C)COC(=O)CC[C@@H](C)CC 379352357 697834350 /nfs/dbraw/zinc/83/43/50/697834350.db2.gz BCRHYWXQNYWTFA-JTQLQIEISA-N 0 0 184.279 2.932 10 30 AFEERN C=CCCOC(=O)c1csc(C)c1 379352437 697834402 /nfs/dbraw/zinc/83/44/02/697834402.db2.gz BKGFZYWCAYPYJG-UHFFFAOYSA-N 0 0 196.271 2.789 10 30 AFEERN C=C(C)COC(=O)CC[C@H](C)CC 379352358 697834449 /nfs/dbraw/zinc/83/44/49/697834449.db2.gz BCRHYWXQNYWTFA-SNVBAGLBSA-N 0 0 184.279 2.932 10 30 AFEERN C=C(CC)COC(=O)CCC1CC1 379352431 697834470 /nfs/dbraw/zinc/83/44/70/697834470.db2.gz BIVWBCONHHKSJB-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CC1(C)CCC(=NOCC(F)F)C1 379352146 697834487 /nfs/dbraw/zinc/83/44/87/697834487.db2.gz AMCUBTQOXMKCDX-UHFFFAOYSA-N 0 0 191.221 2.834 10 30 AFEERN C=C(C)CCOC(=O)/C=C/C=C\C 379353140 697834905 /nfs/dbraw/zinc/83/49/05/697834905.db2.gz DURHDRNUIIPVMM-SCFJQAPRSA-N 0 0 180.247 2.628 10 30 AFEERN C=C(C)CCOC(=O)/C=C/C=C/C 379353141 697835035 /nfs/dbraw/zinc/83/50/35/697835035.db2.gz DURHDRNUIIPVMM-YTXTXJHMSA-N 0 0 180.247 2.628 10 30 AFEERN C#CCON=C(CC)c1cccs1 379354259 697836116 /nfs/dbraw/zinc/83/61/16/697836116.db2.gz HZDLVFVOEKLIHJ-UHFFFAOYSA-N 0 0 193.271 2.512 10 30 AFEERN C=C(CC)COC(=O)CC(C)(F)F 379354087 697836187 /nfs/dbraw/zinc/83/61/87/697836187.db2.gz HKUKLZLEIYVNCV-UHFFFAOYSA-N 0 0 192.205 2.541 10 30 AFEERN C=CCCC(=O)OC[C@H]1CC1(C)C 379358987 697840123 /nfs/dbraw/zinc/84/01/23/697840123.db2.gz XDECKHYVIXVYJE-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCC(=O)OC[C@@H]1CC1(C)C 379358988 697840368 /nfs/dbraw/zinc/84/03/68/697840368.db2.gz XDECKHYVIXVYJE-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=C(CC)COC(=O)/C=C/C(C)C 379359679 697840596 /nfs/dbraw/zinc/84/05/96/697840596.db2.gz ZLDMFJKPMKKPPP-VOTSOKGWSA-N 0 0 182.263 2.708 10 30 AFEERN C=C(CC)COC(=O)/C=C\C(C)C 379359678 697840993 /nfs/dbraw/zinc/84/09/93/697840993.db2.gz ZLDMFJKPMKKPPP-SREVYHEPSA-N 0 0 182.263 2.708 10 30 AFEERN CCON=C(CC)c1ccccc1 379360640 697841960 /nfs/dbraw/zinc/84/19/60/697841960.db2.gz BPIBUYRAYPXMPG-UHFFFAOYSA-N 0 0 177.247 2.837 10 30 AFEERN CC[C@H](C)C=NO[C@H]1CCCCO1 379361071 697842122 /nfs/dbraw/zinc/84/21/22/697842122.db2.gz BYEBSQRBQLNWRT-UWVGGRQHSA-N 0 0 185.267 2.562 10 30 AFEERN CC[C@@H](C)C=NO[C@@H]1CCCCO1 379361070 697842154 /nfs/dbraw/zinc/84/21/54/697842154.db2.gz BYEBSQRBQLNWRT-NXEZZACHSA-N 0 0 185.267 2.562 10 30 AFEERN CC[C@@H](C)C=NO[C@H]1CCCCO1 379361073 697842170 /nfs/dbraw/zinc/84/21/70/697842170.db2.gz BYEBSQRBQLNWRT-ZJUUUORDSA-N 0 0 185.267 2.562 10 30 AFEERN CC[C@H](C)C=NO[C@@H]1CCCCO1 379361072 697842254 /nfs/dbraw/zinc/84/22/54/697842254.db2.gz BYEBSQRBQLNWRT-VHSXEESVSA-N 0 0 185.267 2.562 10 30 AFEERN CCON=Cc1ccc(SC)cc1 379362023 697842639 /nfs/dbraw/zinc/84/26/39/697842639.db2.gz GIYQTQWWXVCVBG-UHFFFAOYSA-N 0 0 195.287 2.779 10 30 AFEERN FC(F)(F)CON=CCCC1CC1 379361250 697842783 /nfs/dbraw/zinc/84/27/83/697842783.db2.gz CJUMTRAQRQJLMQ-UHFFFAOYSA-N 0 0 195.184 2.741 10 30 AFEERN CCC(CC)=NOCCOC(C)C 379363816 697843550 /nfs/dbraw/zinc/84/35/50/697843550.db2.gz GVNDPDUPTHWGRW-UHFFFAOYSA-N 0 0 187.283 2.604 10 30 AFEERN C=CCCC(=O)OCC(C)(C)CC 379368194 697846434 /nfs/dbraw/zinc/84/64/34/697846434.db2.gz NQEWIVYQAKPNLR-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C[C@H]1CCCC1=NOCCC1CC1 379371506 697848640 /nfs/dbraw/zinc/84/86/40/697848640.db2.gz ICBXKHYEFGHGNR-VIFPVBQESA-N 0 0 181.279 2.979 10 30 AFEERN C[C@@H]1CCCC1=NOCCC1CC1 379371505 697848860 /nfs/dbraw/zinc/84/88/60/697848860.db2.gz ICBXKHYEFGHGNR-SECBINFHSA-N 0 0 181.279 2.979 10 30 AFEERN C=C(C)[C@H](C)OC(=O)/C=C\CCC 379376354 697852205 /nfs/dbraw/zinc/85/22/05/697852205.db2.gz SVUGAYRXSGFPJH-DMEOUFDRSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)/C=C/CCC 379376357 697852182 /nfs/dbraw/zinc/85/21/82/697852182.db2.gz SVUGAYRXSGFPJH-QROSGCPLSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C(CC)CC 379376514 697852212 /nfs/dbraw/zinc/85/22/12/697852212.db2.gz UCINZXOXOBIDRA-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)/C=C\CCC 379376355 697852324 /nfs/dbraw/zinc/85/23/24/697852324.db2.gz SVUGAYRXSGFPJH-GQYWMQPJSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)/C=C/CCC 379376356 697852337 /nfs/dbraw/zinc/85/23/37/697852337.db2.gz SVUGAYRXSGFPJH-JARNTUPDSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C(CC)CC 379376513 697852366 /nfs/dbraw/zinc/85/23/66/697852366.db2.gz UCINZXOXOBIDRA-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)CCC(C)(C)C 379378652 697854432 /nfs/dbraw/zinc/85/44/32/697854432.db2.gz ASZMZWNIKIOBFS-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@H](C)CCC 379376724 697852599 /nfs/dbraw/zinc/85/25/99/697852599.db2.gz UVFMEARMJZTRRF-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H](C)CCC 379376725 697852842 /nfs/dbraw/zinc/85/28/42/697852842.db2.gz UVFMEARMJZTRRF-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H](C)CCC 379376727 697852924 /nfs/dbraw/zinc/85/29/24/697852924.db2.gz UVFMEARMJZTRRF-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H](C)CCC 379376726 697852933 /nfs/dbraw/zinc/85/29/33/697852933.db2.gz UVFMEARMJZTRRF-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OCCCC 379377197 697853129 /nfs/dbraw/zinc/85/31/29/697853129.db2.gz WPXXONIFGFWXES-JTQLQIEISA-N 0 0 184.279 2.932 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OCCCC 379377198 697853238 /nfs/dbraw/zinc/85/32/38/697853238.db2.gz WPXXONIFGFWXES-SNVBAGLBSA-N 0 0 184.279 2.932 10 30 AFEERN C(=NOC1CCC1)[C@H]1CCCSC1 379378289 697853807 /nfs/dbraw/zinc/85/38/07/697853807.db2.gz ACSMWTMUHZTPQT-SECBINFHSA-N 0 0 199.319 2.685 10 30 AFEERN C(=NOC1CCC1)[C@@H]1CCCSC1 379378293 697853903 /nfs/dbraw/zinc/85/39/03/697853903.db2.gz ACSMWTMUHZTPQT-VIFPVBQESA-N 0 0 199.319 2.685 10 30 AFEERN C=CCCOC(=O)C=C(CC)CC 379378343 697853906 /nfs/dbraw/zinc/85/39/06/697853906.db2.gz ADQNLTFUCZWIQC-UHFFFAOYSA-N 0 0 182.263 2.852 10 30 AFEERN C#CCON=C(C)CSC(C)(C)C 379378696 697854363 /nfs/dbraw/zinc/85/43/63/697854363.db2.gz AUXUPBNAPNUTCZ-UHFFFAOYSA-N 0 0 199.319 2.544 10 30 AFEERN C=C[C@@H](C)OC(=O)CCC(C)(C)C 379378649 697854493 /nfs/dbraw/zinc/85/44/93/697854493.db2.gz ASZMZWNIKIOBFS-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)COC(=O)CCCC1CC1 379378553 697854547 /nfs/dbraw/zinc/85/45/47/697854547.db2.gz AHNOQINVWICREM-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CC(C)ON=Cc1cccc(F)c1 379379378 697855076 /nfs/dbraw/zinc/85/50/76/697855076.db2.gz AWUSOWBZVSLSNS-UHFFFAOYSA-N 0 0 181.210 2.585 10 30 AFEERN CC(C)CON=C1CC(C(F)F)C1 379379341 697855083 /nfs/dbraw/zinc/85/50/83/697855083.db2.gz AZCLLRFNCCVZBD-UHFFFAOYSA-N 0 0 191.221 2.690 10 30 AFEERN C=C(C)CCOC(=O)C(C)=C(C)C 379379407 697855435 /nfs/dbraw/zinc/85/54/35/697855435.db2.gz BBMBMVHXINZEAP-UHFFFAOYSA-N 0 0 182.263 2.852 10 30 AFEERN CC(C)ON=Cc1ccccc1F 379379401 697855499 /nfs/dbraw/zinc/85/54/99/697855499.db2.gz AXJOOUYTTSQZDI-UHFFFAOYSA-N 0 0 181.210 2.585 10 30 AFEERN C[C@@H]1CSCC1=NOCCC1CC1 379380646 697856348 /nfs/dbraw/zinc/85/63/48/697856348.db2.gz FGEDQIBYKGTKIS-MRVPVSSYSA-N 0 0 199.319 2.542 10 30 AFEERN C=CCCOC(=O)[C@H]1CC[C@@H](C)C1 379380665 697856565 /nfs/dbraw/zinc/85/65/65/697856565.db2.gz FGOUAIUILDMEFV-ZJUUUORDSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCOC(=O)[C@H]1CC[C@H](C)C1 379380662 697856604 /nfs/dbraw/zinc/85/66/04/697856604.db2.gz FGOUAIUILDMEFV-UWVGGRQHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCOC(=O)[C@@H]1CC[C@H](C)C1 379380663 697856654 /nfs/dbraw/zinc/85/66/54/697856654.db2.gz FGOUAIUILDMEFV-VHSXEESVSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCOC(=O)[C@@H]1CC[C@@H](C)C1 379380660 697856658 /nfs/dbraw/zinc/85/66/58/697856658.db2.gz FGOUAIUILDMEFV-NXEZZACHSA-N 0 0 182.263 2.542 10 30 AFEERN C[C@H]1CSCC1=NOCCC1CC1 379380648 697856720 /nfs/dbraw/zinc/85/67/20/697856720.db2.gz FGEDQIBYKGTKIS-QMMMGPOBSA-N 0 0 199.319 2.542 10 30 AFEERN C=C(C)CNN=C(C)C1CCCC1 379381917 697857546 /nfs/dbraw/zinc/85/75/46/697857546.db2.gz DJAFDOWLBKCILE-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN C=CCCN(C)c1ccnc(Cl)c1 379381590 697857613 /nfs/dbraw/zinc/85/76/13/697857613.db2.gz DCKJHOTXKCLIKV-UHFFFAOYSA-N 0 0 196.681 2.747 10 30 AFEERN C(=NOC1CCC1)c1ccccc1 379382010 697858167 /nfs/dbraw/zinc/85/81/67/697858167.db2.gz HWAVAGJTWDDZAK-UHFFFAOYSA-N 0 0 175.231 2.590 10 30 AFEERN C[C@H]1C[C@H]1C=NOCCC(F)(F)F 379383139 697859257 /nfs/dbraw/zinc/85/92/57/697859257.db2.gz FZWRWUWEIGFIES-BQBZGAKWSA-N 0 0 195.184 2.597 10 30 AFEERN C[C@H]1C[C@@H]1C=NOCCC(F)(F)F 379383140 697859418 /nfs/dbraw/zinc/85/94/18/697859418.db2.gz FZWRWUWEIGFIES-NKWVEPMBSA-N 0 0 195.184 2.597 10 30 AFEERN C[C@@H]1C[C@@H]1C=NOCCC(F)(F)F 379383141 697859467 /nfs/dbraw/zinc/85/94/67/697859467.db2.gz FZWRWUWEIGFIES-RNFRBKRXSA-N 0 0 195.184 2.597 10 30 AFEERN C[C@@H]1C[C@H]1C=NOCCC(F)(F)F 379383142 697859541 /nfs/dbraw/zinc/85/95/41/697859541.db2.gz FZWRWUWEIGFIES-RQJHMYQMSA-N 0 0 195.184 2.597 10 30 AFEERN C=C(Cl)CN(C)Cc1ccc(C)o1 379384609 697860545 /nfs/dbraw/zinc/86/05/45/697860545.db2.gz PBABRNKLUWCDSC-UHFFFAOYSA-N 0 0 199.681 2.772 10 30 AFEERN C=C[C@@H](C)OC(=O)c1cscc1C 379386609 697861957 /nfs/dbraw/zinc/86/19/57/697861957.db2.gz YJHBLLXEXOZAKN-MRVPVSSYSA-N 0 0 196.271 2.788 10 30 AFEERN C=C[C@H](C)OC(=O)c1cscc1C 379386610 697862089 /nfs/dbraw/zinc/86/20/89/697862089.db2.gz YJHBLLXEXOZAKN-QMMMGPOBSA-N 0 0 196.271 2.788 10 30 AFEERN C[C@H]1CC[C@@H](C=NOCC(F)F)C1 379387170 697862321 /nfs/dbraw/zinc/86/23/21/697862321.db2.gz GTXNBJCMWINUGJ-JGVFFNPUSA-N 0 0 191.221 2.690 10 30 AFEERN C[C@H]1CC[C@H](C=NOCC(F)F)C1 379387172 697862376 /nfs/dbraw/zinc/86/23/76/697862376.db2.gz GTXNBJCMWINUGJ-YUMQZZPRSA-N 0 0 191.221 2.690 10 30 AFEERN C[C@@H]1CC[C@H](C=NOCC(F)F)C1 379387171 697862399 /nfs/dbraw/zinc/86/23/99/697862399.db2.gz GTXNBJCMWINUGJ-SFYZADRCSA-N 0 0 191.221 2.690 10 30 AFEERN C[C@@H]1CC[C@@H](C=NOCC(F)F)C1 379387169 697862473 /nfs/dbraw/zinc/86/24/73/697862473.db2.gz GTXNBJCMWINUGJ-HTQZYQBOSA-N 0 0 191.221 2.690 10 30 AFEERN CON=C(C)Cc1ccccc1C 379387481 697863212 /nfs/dbraw/zinc/86/32/12/697863212.db2.gz HMOHLAGPSYBVKY-UHFFFAOYSA-N 0 0 177.247 2.560 10 30 AFEERN C=C(CC)CSc1nccn1CC 379387746 697863232 /nfs/dbraw/zinc/86/32/32/697863232.db2.gz IDDFKVQOMJKEHX-UHFFFAOYSA-N 0 0 196.319 2.961 10 30 AFEERN C=C(C)CNN=C(C)c1cccs1 379388227 697863540 /nfs/dbraw/zinc/86/35/40/697863540.db2.gz JCEUHIPWAVTSQA-UHFFFAOYSA-N 0 0 194.303 2.638 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OC/C=C/C 379388243 697863565 /nfs/dbraw/zinc/86/35/65/697863565.db2.gz JCWGNPGPAVUDFR-PORFMDCZSA-N 0 0 182.263 2.708 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OC/C=C/C 379388241 697863591 /nfs/dbraw/zinc/86/35/91/697863591.db2.gz JCWGNPGPAVUDFR-BRAIEQGRSA-N 0 0 182.263 2.708 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OC/C=C\C 379388242 697863596 /nfs/dbraw/zinc/86/35/96/697863596.db2.gz JCWGNPGPAVUDFR-OMMCCPJFSA-N 0 0 182.263 2.708 10 30 AFEERN C=CCCCC(=O)O[C@H](C)C(=C)C 379388257 697863711 /nfs/dbraw/zinc/86/37/11/697863711.db2.gz JDFYDMFNCDZVBH-SNVBAGLBSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OC/C=C\C 379388244 697863796 /nfs/dbraw/zinc/86/37/96/697863796.db2.gz JCWGNPGPAVUDFR-WWQCOOJYSA-N 0 0 182.263 2.708 10 30 AFEERN C=CCCCC(=O)O[C@@H](C)C(=C)C 379388256 697863844 /nfs/dbraw/zinc/86/38/44/697863844.db2.gz JDFYDMFNCDZVBH-JTQLQIEISA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)CNN=C(C)c1ccsc1 379388485 697864326 /nfs/dbraw/zinc/86/43/26/697864326.db2.gz JLSIESKTLSDMCV-UHFFFAOYSA-N 0 0 194.303 2.638 10 30 AFEERN C#CCCCSCc1ccccn1 379389716 697865035 /nfs/dbraw/zinc/86/50/35/697865035.db2.gz MDKQANPNEGVRPH-UHFFFAOYSA-N 0 0 191.299 2.728 10 30 AFEERN C(=NOC1CCCC1)c1ccoc1 379389695 697865110 /nfs/dbraw/zinc/86/51/10/697865110.db2.gz MCCFEHYZBGGBLQ-UHFFFAOYSA-N 0 0 179.219 2.573 10 30 AFEERN C=C[C@@H](C)OC(=O)C1(CC)CCC1 379391511 697866510 /nfs/dbraw/zinc/86/65/10/697866510.db2.gz PTZPDYBGNINNSL-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)C1(CC)CCC1 379391512 697866528 /nfs/dbraw/zinc/86/65/28/697866528.db2.gz PTZPDYBGNINNSL-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@@](C)(CC)COC(=O)C1CC1 379391794 697867115 /nfs/dbraw/zinc/86/71/15/697867115.db2.gz QLLFFHMLEISNLO-NSHDSACASA-N 0 0 182.263 2.542 10 30 AFEERN C=C[C@](C)(CC)COC(=O)C1CC1 379391793 697867420 /nfs/dbraw/zinc/86/74/20/697867420.db2.gz QLLFFHMLEISNLO-LLVKDONJSA-N 0 0 182.263 2.542 10 30 AFEERN C#CCCCSC[C@@H]1CCCOC1 379392591 697868256 /nfs/dbraw/zinc/86/82/56/697868256.db2.gz SDDZPAAHZQQQMF-LLVKDONJSA-N 0 0 198.331 2.560 10 30 AFEERN C#CCCCSC[C@H]1CCCOC1 379392592 697868524 /nfs/dbraw/zinc/86/85/24/697868524.db2.gz SDDZPAAHZQQQMF-NSHDSACASA-N 0 0 198.331 2.560 10 30 AFEERN C=CC[N@H+](Cc1ccoc1)C(C)C 379393369 697868999 /nfs/dbraw/zinc/86/89/99/697868999.db2.gz UNGFOOSSZQTKCT-UHFFFAOYSA-N 0 0 179.263 2.676 10 30 AFEERN C=C(C)CNN=C(C)CC1CCC1 379394546 697869735 /nfs/dbraw/zinc/86/97/35/697869735.db2.gz XRQZEEJZVYMFEN-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN C=CCCC[C@H](C)OC(=O)C1CC1 379395160 697870219 /nfs/dbraw/zinc/87/02/19/697870219.db2.gz YRHNEWIHQFFHLD-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCC[C@@H](C)OC(=O)C1CC1 379395159 697870453 /nfs/dbraw/zinc/87/04/53/697870453.db2.gz YRHNEWIHQFFHLD-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN CC(=NOCC(C)C)c1ccco1 379395600 697870984 /nfs/dbraw/zinc/87/09/84/697870984.db2.gz BRDKIXBVKXQFST-UHFFFAOYSA-N 0 0 181.235 2.676 10 30 AFEERN CC[C@H](C)CON=Cc1ccco1 379396524 697871478 /nfs/dbraw/zinc/87/14/78/697871478.db2.gz HNBXGKBRXKPTJK-VIFPVBQESA-N 0 0 181.235 2.676 10 30 AFEERN CCCC(C)=NO[C@@H]1CCCCO1 379396804 697871538 /nfs/dbraw/zinc/87/15/38/697871538.db2.gz CZNPCEIEFGTUNT-SNVBAGLBSA-N 0 0 185.267 2.706 10 30 AFEERN CC[C@@H](C)CON=Cc1ccco1 379396522 697871642 /nfs/dbraw/zinc/87/16/42/697871642.db2.gz HNBXGKBRXKPTJK-SECBINFHSA-N 0 0 181.235 2.676 10 30 AFEERN CCCC(C)=NO[C@H]1CCCCO1 379396803 697871648 /nfs/dbraw/zinc/87/16/48/697871648.db2.gz CZNPCEIEFGTUNT-JTQLQIEISA-N 0 0 185.267 2.706 10 30 AFEERN CON=Cc1csc2ccccc12 379396385 697871689 /nfs/dbraw/zinc/87/16/89/697871689.db2.gz GMSKEYHRYGHQSL-UHFFFAOYSA-N 0 0 191.255 2.882 10 30 AFEERN C(=NOCCC1CC1)C1CCCC1 379397382 697872060 /nfs/dbraw/zinc/87/20/60/697872060.db2.gz DALSEQAVYKEJPZ-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C(CCC1CC1)=NOCCC1CC1 379397389 697872364 /nfs/dbraw/zinc/87/23/64/697872364.db2.gz DPTNDQAHFCVHGA-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN CC(C)CON=C1CCC12CCC2 379398043 697872518 /nfs/dbraw/zinc/87/25/18/697872518.db2.gz FFDATNLGZJPWAN-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C=CCOC(=O)C1(CC)CCCC1 379398095 697872805 /nfs/dbraw/zinc/87/28/05/697872805.db2.gz FGKQUYTXEZRUCY-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCC(C)(C)C(=O)OC1CCC1 379397729 697872954 /nfs/dbraw/zinc/87/29/54/697872954.db2.gz QRQJZDLTODFTKO-UHFFFAOYSA-N 0 0 182.263 2.684 10 30 AFEERN C#CCSc1ccc(COC)cc1 379399083 697873967 /nfs/dbraw/zinc/87/39/67/697873967.db2.gz GLBYQMZTWIMBKG-UHFFFAOYSA-N 0 0 192.283 2.558 10 30 AFEERN C=C(C)COC(=O)C1CC(C)(C)C1 379399703 697874658 /nfs/dbraw/zinc/87/46/58/697874658.db2.gz HMVQOEQGZAZWOI-UHFFFAOYSA-N 0 0 182.263 2.542 10 30 AFEERN CCCNN=C1CC[C@@H]1C(C)(C)C 379402450 697876942 /nfs/dbraw/zinc/87/69/42/697876942.db2.gz NDCLWLHRDAQFIZ-VIFPVBQESA-N 0 0 182.311 2.798 10 30 AFEERN CCCNN=C1CC[C@H]1C(C)(C)C 379402449 697877009 /nfs/dbraw/zinc/87/70/09/697877009.db2.gz NDCLWLHRDAQFIZ-SECBINFHSA-N 0 0 182.311 2.798 10 30 AFEERN C=C[C@H](C)OC(=O)C1=CCCCC1 379403350 697878170 /nfs/dbraw/zinc/87/81/70/697878170.db2.gz PDAVKDAEDBGLNA-VIFPVBQESA-N 0 0 180.247 2.605 10 30 AFEERN C=CCOC(=O)c1ccc(CC)s1 379403236 697878180 /nfs/dbraw/zinc/87/81/80/697878180.db2.gz OUBHRYXBXFPVGG-UHFFFAOYSA-N 0 0 196.271 2.653 10 30 AFEERN C=C[C@@H](C)OC(=O)C1=CCCCC1 379403349 697878253 /nfs/dbraw/zinc/87/82/53/697878253.db2.gz PDAVKDAEDBGLNA-SECBINFHSA-N 0 0 180.247 2.605 10 30 AFEERN C=CCC[C@@H](C)OC(=O)C(C)(C)C 379404991 697879804 /nfs/dbraw/zinc/87/98/04/697879804.db2.gz SGYWVMXPJDKEPE-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CCC[C@H](C)OC(=O)C(C)(C)C 379404992 697879969 /nfs/dbraw/zinc/87/99/69/697879969.db2.gz SGYWVMXPJDKEPE-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=CCC[C@@H](C)OC(=O)C1CCC1 379405636 697880205 /nfs/dbraw/zinc/88/02/05/697880205.db2.gz UNHCEAORAHQFST-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCC[C@H](OC(=O)CC)C1CC1 379405595 697880351 /nfs/dbraw/zinc/88/03/51/697880351.db2.gz UKMLFMJLHRLRRS-JTQLQIEISA-N 0 0 182.263 2.684 10 30 AFEERN C=CCC[C@@H](OC(=O)CC)C1CC1 379405596 697880535 /nfs/dbraw/zinc/88/05/35/697880535.db2.gz UKMLFMJLHRLRRS-SNVBAGLBSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCC[C@H](C)OC(=O)C1CCC1 379405637 697880914 /nfs/dbraw/zinc/88/09/14/697880914.db2.gz UNHCEAORAHQFST-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H](C)C1CC1 379406297 697881359 /nfs/dbraw/zinc/88/13/59/697881359.db2.gz WAEWBQJXZCVGOV-IUCAKERBSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H](C)C1CC1 379406295 697881517 /nfs/dbraw/zinc/88/15/17/697881517.db2.gz WAEWBQJXZCVGOV-BDAKNGLRSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@H](C)C1CC1 379406298 697881522 /nfs/dbraw/zinc/88/15/22/697881522.db2.gz WAEWBQJXZCVGOV-RKDXNWHRSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H](C)C1CC1 379406296 697881538 /nfs/dbraw/zinc/88/15/38/697881538.db2.gz WAEWBQJXZCVGOV-DTWKUNHWSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@@H](OC(=O)C(C)C)C(C)(C)C 379407658 697883056 /nfs/dbraw/zinc/88/30/56/697883056.db2.gz ZEXVSMVFMAQBLT-SECBINFHSA-N 0 0 184.279 2.786 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H](C)CC(C)C 379408009 697883097 /nfs/dbraw/zinc/88/30/97/697883097.db2.gz AFDCVMSWVUQKKF-NXEZZACHSA-N 0 0 184.279 2.786 10 30 AFEERN C=C[C@H](C)OC(=O)C(C)(C)C1CC1 379407776 697883134 /nfs/dbraw/zinc/88/31/34/697883134.db2.gz ZNUIZLCNRUNAMP-QMMMGPOBSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)C(C)(C)C1CC1 379407775 697883231 /nfs/dbraw/zinc/88/32/31/697883231.db2.gz ZNUIZLCNRUNAMP-MRVPVSSYSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](OC(=O)C(C)C)C(C)(C)C 379407659 697883345 /nfs/dbraw/zinc/88/33/45/697883345.db2.gz ZEXVSMVFMAQBLT-VIFPVBQESA-N 0 0 184.279 2.786 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H](C)CC(C)C 379408010 697883605 /nfs/dbraw/zinc/88/36/05/697883605.db2.gz AFDCVMSWVUQKKF-UWVGGRQHSA-N 0 0 184.279 2.786 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H](C)CC(C)C 379408012 697883899 /nfs/dbraw/zinc/88/38/99/697883899.db2.gz AFDCVMSWVUQKKF-ZJUUUORDSA-N 0 0 184.279 2.786 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H](C)CC(C)C 379408011 697883924 /nfs/dbraw/zinc/88/39/24/697883924.db2.gz AFDCVMSWVUQKKF-VHSXEESVSA-N 0 0 184.279 2.786 10 30 AFEERN Cc1ccc(C=NOCC(C)C)o1 379409252 697884366 /nfs/dbraw/zinc/88/43/66/697884366.db2.gz CMTHJSBIFDZIFP-UHFFFAOYSA-N 0 0 181.235 2.595 10 30 AFEERN C=C(C)COC(=O)C1(C)CCCC1 379409775 697884857 /nfs/dbraw/zinc/88/48/57/697884857.db2.gz DNRCHKWQIOOAIG-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C(C)(C)CC 379409649 697884983 /nfs/dbraw/zinc/88/49/83/697884983.db2.gz DIVKJXIXVTVWDK-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C(C)(C)CC 379409648 697885036 /nfs/dbraw/zinc/88/50/36/697885036.db2.gz DIVKJXIXVTVWDK-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN CCCCC(CC)=NOCCOC 379409423 697885146 /nfs/dbraw/zinc/88/51/46/697885146.db2.gz CWWJVQCXCPVART-UHFFFAOYSA-N 0 0 187.283 2.606 10 30 AFEERN C=CCCCOC(=O)CC1CCC1 379410024 697885743 /nfs/dbraw/zinc/88/57/43/697885743.db2.gz FFUFVDGKKUFJJC-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C[C@H](CC)OC(=O)/C(C)=C\CC 379410648 697885896 /nfs/dbraw/zinc/88/58/96/697885896.db2.gz GMRFXFANBNJVGS-HSTULFTRSA-N 0 0 182.263 2.851 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C(C)=C/CC 379410647 697885930 /nfs/dbraw/zinc/88/59/30/697885930.db2.gz GMRFXFANBNJVGS-DDXVTDLHSA-N 0 0 182.263 2.851 10 30 AFEERN C=C[C@H](CC)OC(=O)/C(C)=C/CC 379410646 697885983 /nfs/dbraw/zinc/88/59/83/697885983.db2.gz GMRFXFANBNJVGS-AAXQSMANSA-N 0 0 182.263 2.851 10 30 AFEERN C=CCCCC(=O)OC[C@@H]1C[C@@H]1C 379410883 697886170 /nfs/dbraw/zinc/88/61/70/697886170.db2.gz HBRWXSCFGYDIKP-UWVGGRQHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCCC(=O)OC[C@H]1C[C@H]1C 379410882 697886218 /nfs/dbraw/zinc/88/62/18/697886218.db2.gz HBRWXSCFGYDIKP-NXEZZACHSA-N 0 0 182.263 2.542 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C(C)=C\CC 379410649 697886251 /nfs/dbraw/zinc/88/62/51/697886251.db2.gz GMRFXFANBNJVGS-QROTZFDESA-N 0 0 182.263 2.851 10 30 AFEERN C=CCCCC(=O)OC[C@H]1C[C@@H]1C 379410884 697886794 /nfs/dbraw/zinc/88/67/94/697886794.db2.gz HBRWXSCFGYDIKP-VHSXEESVSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCCC(=O)OC[C@@H]1C[C@H]1C 379410885 697886798 /nfs/dbraw/zinc/88/67/98/697886798.db2.gz HBRWXSCFGYDIKP-ZJUUUORDSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCCC(=O)OCC1(C)CC1 379412922 697888116 /nfs/dbraw/zinc/88/81/16/697888116.db2.gz LBCHWNNNBLWBLR-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)CCOC(=O)C1(CC)CC1 379416133 697891888 /nfs/dbraw/zinc/89/18/88/697891888.db2.gz RCLHKOHOHDMHTE-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)COC(=O)[C@H](C)CC(C)C 379419216 697894525 /nfs/dbraw/zinc/89/45/25/697894525.db2.gz XQDYZYGEEINWPM-SNVBAGLBSA-N 0 0 184.279 2.788 10 30 AFEERN C=C(C)COC(=O)[C@@H](C)CC(C)C 379419215 697894578 /nfs/dbraw/zinc/89/45/78/697894578.db2.gz XQDYZYGEEINWPM-JTQLQIEISA-N 0 0 184.279 2.788 10 30 AFEERN C#CCON=C(C)CCC(C)(C)C 379419200 697894781 /nfs/dbraw/zinc/89/47/81/697894781.db2.gz XOLHPENKPDFBAM-UHFFFAOYSA-N 0 0 181.279 2.838 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H](C)C1CC1 379419969 697894928 /nfs/dbraw/zinc/89/49/28/697894928.db2.gz ZKWSHKBDOABYMO-BDAKNGLRSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@@H](C)C1CC1 379419972 697895189 /nfs/dbraw/zinc/89/51/89/697895189.db2.gz ZKWSHKBDOABYMO-RKDXNWHRSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@H](C)C1CC1 379419970 697895196 /nfs/dbraw/zinc/89/51/96/697895196.db2.gz ZKWSHKBDOABYMO-DTWKUNHWSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H](C)C1CC1 379419971 697895352 /nfs/dbraw/zinc/89/53/52/697895352.db2.gz ZKWSHKBDOABYMO-IUCAKERBSA-N 0 0 182.263 2.540 10 30 AFEERN C#CCCNc1cccc2ccncc12 379990910 697910419 /nfs/dbraw/zinc/91/04/19/697910419.db2.gz XJXLEXAFLMHOSO-UHFFFAOYSA-N 0 0 196.253 2.670 10 30 AFEERN Cc1ccoc1C=NOC/C=C\Cl 381831374 697913700 /nfs/dbraw/zinc/91/37/00/697913700.db2.gz CZUQBXZSMYHGTH-WMPMFPRGSA-N 0 0 199.637 2.691 10 30 AFEERN Cc1ccoc1C=NOC/C=C/Cl 381831366 697913735 /nfs/dbraw/zinc/91/37/35/697913735.db2.gz CZUQBXZSMYHGTH-TWXZPSTKSA-N 0 0 199.637 2.691 10 30 AFEERN C=C(C)CCSCCO[C@H](C)C#N 381834879 697913919 /nfs/dbraw/zinc/91/39/19/697913919.db2.gz GIPSYKXINJJERC-SNVBAGLBSA-N 0 0 199.319 2.614 10 30 AFEERN C=C(C)CCSCCO[C@@H](C)C#N 381834878 697914163 /nfs/dbraw/zinc/91/41/63/697914163.db2.gz GIPSYKXINJJERC-JTQLQIEISA-N 0 0 199.319 2.614 10 30 AFEERN C=C[C@@H](CC)OC(=O)CC(C)C 381942831 697916648 /nfs/dbraw/zinc/91/66/48/697916648.db2.gz XFMXJDWUEOVLIR-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)CNN=C(CC)CCC 381972368 697916650 /nfs/dbraw/zinc/91/66/50/697916650.db2.gz CDKQSHHUJJMECK-UHFFFAOYSA-N 0 0 168.284 2.718 10 30 AFEERN C=C[C@H](CC)OC(=O)CC(C)C 381942830 697916696 /nfs/dbraw/zinc/91/66/96/697916696.db2.gz XFMXJDWUEOVLIR-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN CON=CCC1CCCCC1 382006539 697916927 /nfs/dbraw/zinc/91/69/27/697916927.db2.gz BEFPGUUDRWQCCE-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN CC(C)CON=C1CCS[C@@H]1C 382097248 697917881 /nfs/dbraw/zinc/91/78/81/697917881.db2.gz FEMCMRHBEQWEQC-MRVPVSSYSA-N 0 0 187.308 2.540 10 30 AFEERN CC(C)[C@H]1CCC1=NOCC(F)F 382099221 697917994 /nfs/dbraw/zinc/91/79/94/697917994.db2.gz FXDZHGBUAFUGCW-SSDOTTSWSA-N 0 0 191.221 2.690 10 30 AFEERN CC(=NNCC(C)C)[C@@H]1CC1(C)C 382099276 697918039 /nfs/dbraw/zinc/91/80/39/697918039.db2.gz GCEZDHSRGXNXPQ-JTQLQIEISA-N 0 0 182.311 2.654 10 30 AFEERN CC(C)[C@@H]1CCC1=NOCC(F)F 382099222 697918058 /nfs/dbraw/zinc/91/80/58/697918058.db2.gz FXDZHGBUAFUGCW-ZETCQYMHSA-N 0 0 191.221 2.690 10 30 AFEERN CC(C)CON=C1CCS[C@H]1C 382097250 697918065 /nfs/dbraw/zinc/91/80/65/697918065.db2.gz FEMCMRHBEQWEQC-QMMMGPOBSA-N 0 0 187.308 2.540 10 30 AFEERN CC(CC(F)(F)F)=NOCC1CC1 382099186 697918094 /nfs/dbraw/zinc/91/80/94/697918094.db2.gz FVBWASVMQRFKBO-UHFFFAOYSA-N 0 0 195.184 2.741 10 30 AFEERN CC1(C)CC(=NOCCC2CC2)C1 382104330 697918106 /nfs/dbraw/zinc/91/81/06/697918106.db2.gz HRQYGOONJFWOOL-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN CC(=NNCC(C)C)[C@H]1CC1(C)C 382099277 697918169 /nfs/dbraw/zinc/91/81/69/697918169.db2.gz GCEZDHSRGXNXPQ-SNVBAGLBSA-N 0 0 182.311 2.654 10 30 AFEERN CC(C)C1CC(=NOCC2CC2)C1 382111342 697918584 /nfs/dbraw/zinc/91/85/84/697918584.db2.gz KPLGKYYEBXKSGE-UHFFFAOYSA-N 0 0 181.279 2.835 10 30 AFEERN C=CCCC(=O)OCC1(CC)CC1 382148511 697919532 /nfs/dbraw/zinc/91/95/32/697919532.db2.gz OTGPRDSIDYDODM-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CC[C@@H](C)NN=C(C)CC(F)(F)F 382163316 697919766 /nfs/dbraw/zinc/91/97/66/697919766.db2.gz UDFAYPHSIKVFOQ-ZCFIWIBFSA-N 0 0 196.216 2.703 10 30 AFEERN CC[C@H](C)NN=C(C)CC(F)(F)F 382163315 697920026 /nfs/dbraw/zinc/92/00/26/697920026.db2.gz UDFAYPHSIKVFOQ-LURJTMIESA-N 0 0 196.216 2.703 10 30 AFEERN CCCCNN=C(C)CC(F)(F)F 382171151 697920274 /nfs/dbraw/zinc/92/02/74/697920274.db2.gz WKCHHSHGVBKMDW-UHFFFAOYSA-N 0 0 196.216 2.704 10 30 AFEERN C[C@@H]1C(=NOC/C=C/Cl)C[C@H]1C 382281492 697921697 /nfs/dbraw/zinc/92/16/97/697921697.db2.gz JDYADVLCTWAASH-JUVFBMMESA-N 0 0 187.670 2.787 10 30 AFEERN C[C@@H]1C(=NOC/C=C\Cl)C[C@H]1C 382281568 697921822 /nfs/dbraw/zinc/92/18/22/697921822.db2.gz JDYADVLCTWAASH-WOSAMHSVSA-N 0 0 187.670 2.787 10 30 AFEERN C[C@@H]1CC(=NOC/C=C\Cl)[C@@H]1C 382281571 697921868 /nfs/dbraw/zinc/92/18/68/697921868.db2.gz JDYADVLCTWAASH-YHXIRQBHSA-N 0 0 187.670 2.787 10 30 AFEERN C[C@@H]1CC(=NOC/C=C/Cl)[C@@H]1C 382281519 697922002 /nfs/dbraw/zinc/92/20/02/697922002.db2.gz JDYADVLCTWAASH-VBYQACMUSA-N 0 0 187.670 2.787 10 30 AFEERN C#CCOCSc1ccc(C)cc1 382343218 697922716 /nfs/dbraw/zinc/92/27/16/697922716.db2.gz CXGQCXPXOGVRRT-UHFFFAOYSA-N 0 0 192.283 2.694 10 30 AFEERN Cl/C=C\CON=C1CC2(CC2)C1 382380072 697923278 /nfs/dbraw/zinc/92/32/78/697923278.db2.gz GWESKUTVGPEZNC-RJRFIUFISA-N 0 0 185.654 2.686 10 30 AFEERN CCSCC=NOCCC1CC1 382402528 697924053 /nfs/dbraw/zinc/92/40/53/697924053.db2.gz QQFKKTZFVRJHNI-UHFFFAOYSA-N 0 0 187.308 2.542 10 30 AFEERN C#CCCSc1nc(CC)cs1 382863079 697925148 /nfs/dbraw/zinc/92/51/48/697925148.db2.gz BGYKOJUDZMZSJP-UHFFFAOYSA-N 0 0 197.328 2.821 10 30 AFEERN CON=C(C)c1cc2ccccc2o1 382741978 697925317 /nfs/dbraw/zinc/92/53/17/697925317.db2.gz BIIXIHUQFSGSPU-UHFFFAOYSA-N 0 0 189.214 2.803 10 30 AFEERN CCON=C(CC)c1ccc(O)cc1 383707282 697926797 /nfs/dbraw/zinc/92/67/97/697926797.db2.gz CSECVQPRGVKAQU-UHFFFAOYSA-N 0 0 193.246 2.543 10 30 AFEERN CCCC=NOC/C=C\Cl 387927123 697939465 /nfs/dbraw/zinc/93/94/65/697939465.db2.gz HEPKZAAZZLLJSK-QRSARNIISA-N 0 0 161.632 2.541 10 30 AFEERN CCCCC(CC)=NOC 387927058 697939495 /nfs/dbraw/zinc/93/94/95/697939495.db2.gz GGODHAVQXREKBP-UHFFFAOYSA-N 0 0 143.230 2.589 10 30 AFEERN C#CCCCSC/C=C\C 387874653 697939498 /nfs/dbraw/zinc/93/94/98/697939498.db2.gz ZATLWFINNBKJCR-XQRVVYSFSA-N 0 0 154.278 2.709 10 30 AFEERN CC#CCSC/C(C)=C\Cl 387873575 697939585 /nfs/dbraw/zinc/93/95/85/697939585.db2.gz HOZQELJFFLUALI-VURMDHGXSA-N 0 0 174.696 2.886 10 30 AFEERN CCCC=NOC/C=C/Cl 387927120 697939668 /nfs/dbraw/zinc/93/96/68/697939668.db2.gz HEPKZAAZZLLJSK-FJHBTXJBSA-N 0 0 161.632 2.541 10 30 AFEERN CCC(C)=NNC(CC)CC 388030273 697940184 /nfs/dbraw/zinc/94/01/84/697940184.db2.gz HJTDMWUOTIUNTK-UHFFFAOYSA-N 0 0 156.273 2.551 10 30 AFEERN CCCCC=NOCC(C)C 388065713 697940414 /nfs/dbraw/zinc/94/04/14/697940414.db2.gz AMHNCRLAGFRPFI-UHFFFAOYSA-N 0 0 157.257 2.835 10 30 AFEERN CCON=C[C@H](C)C(C)(C)C 388070834 697940689 /nfs/dbraw/zinc/94/06/89/697940689.db2.gz DCGVFBCHZCSJML-QMMMGPOBSA-N 0 0 157.257 2.691 10 30 AFEERN CCON=C1CCCC[C@@H]1C 388075420 697940754 /nfs/dbraw/zinc/94/07/54/697940754.db2.gz GGQKFLMCEPFDOT-QMMMGPOBSA-N 0 0 155.241 2.589 10 30 AFEERN CCON=C[C@@H](C)C(C)(C)C 388070832 697940785 /nfs/dbraw/zinc/94/07/85/697940785.db2.gz DCGVFBCHZCSJML-MRVPVSSYSA-N 0 0 157.257 2.691 10 30 AFEERN CCON=C(C)CC1CCC1 388071800 697940792 /nfs/dbraw/zinc/94/07/92/697940792.db2.gz DPNMNGRDMJJDJC-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN CC(C)(C)C=NOC1CCC1 388077285 697940814 /nfs/dbraw/zinc/94/08/14/697940814.db2.gz HCPJTPXAPXHXMZ-UHFFFAOYSA-N 0 0 155.241 2.587 10 30 AFEERN CCON=C1CCCC[C@H]1C 388075419 697940928 /nfs/dbraw/zinc/94/09/28/697940928.db2.gz GGQKFLMCEPFDOT-MRVPVSSYSA-N 0 0 155.241 2.589 10 30 AFEERN CC(=NOCC(C)C)C(C)C 388112790 697941862 /nfs/dbraw/zinc/94/18/62/697941862.db2.gz DCFKUGPHWIZUHZ-UHFFFAOYSA-N 0 0 157.257 2.691 10 30 AFEERN C=CCCCSC1=NCCS1 388111395 697942026 /nfs/dbraw/zinc/94/20/26/697942026.db2.gz BUOFYLXPCSUWNK-UHFFFAOYSA-N 0 0 187.333 2.789 10 30 AFEERN CCCC=NOCCC1CC1 388109266 697942046 /nfs/dbraw/zinc/94/20/46/697942046.db2.gz AAHRNIZGZOOPAP-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C=CCC(C)(C)C(=O)OCCCC 388218810 697945484 /nfs/dbraw/zinc/94/54/84/697945484.db2.gz HJCRLXXEAOVZJN-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C=CCON=Cc1ccc(C)cc1 388219463 697945496 /nfs/dbraw/zinc/94/54/96/697945496.db2.gz HPCQRBDZZIGBDU-UHFFFAOYSA-N 0 0 175.231 2.532 10 30 AFEERN C=C[C@@H](CC)OC(=O)C(C)(C)CC 388222173 697945809 /nfs/dbraw/zinc/94/58/09/697945809.db2.gz IRMFSUGSGCDTJK-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=CCOC(=O)CC(C)(C)CCC 388231026 697945813 /nfs/dbraw/zinc/94/58/13/697945813.db2.gz MJENKTHJNTZTNT-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C=C[C@H](CC)OC(=O)C(C)(C)CC 388222165 697945821 /nfs/dbraw/zinc/94/58/21/697945821.db2.gz IRMFSUGSGCDTJK-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C#CCCCSCc1cc(C)no1 388245447 697946882 /nfs/dbraw/zinc/94/68/82/697946882.db2.gz SPLQLIFCPLOJLT-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C=CCCCOC(=O)CCC(F)F 388259199 697947863 /nfs/dbraw/zinc/94/78/63/697947863.db2.gz CJABCTDPYGFQBU-UHFFFAOYSA-N 0 0 192.205 2.541 10 30 AFEERN CCON=C(C)c1cc(C)c(C)o1 388262492 697948372 /nfs/dbraw/zinc/94/83/72/697948372.db2.gz AWAHFRWOVKAIEO-UHFFFAOYSA-N 0 0 181.235 2.657 10 30 AFEERN C=CCC(C)(C)COC(=O)C1CC1 388271126 697949014 /nfs/dbraw/zinc/94/90/14/697949014.db2.gz GBPYRVZDTPCDAD-UHFFFAOYSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCC(C)(C)COC(=O)C(C)C 388274010 697949440 /nfs/dbraw/zinc/94/94/40/697949440.db2.gz HWXSYGFSTBDASI-UHFFFAOYSA-N 0 0 184.279 2.788 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H](C)CCC 388290714 697950971 /nfs/dbraw/zinc/95/09/71/697950971.db2.gz VRSOFDADMAJJLJ-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H](C)CCC 388290713 697951014 /nfs/dbraw/zinc/95/10/14/697951014.db2.gz VRSOFDADMAJJLJ-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@H](C)CCC 388290715 697951038 /nfs/dbraw/zinc/95/10/38/697951038.db2.gz VRSOFDADMAJJLJ-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H](C)CCC 388290712 697951203 /nfs/dbraw/zinc/95/12/03/697951203.db2.gz VRSOFDADMAJJLJ-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@@H](C)CCC 388363332 697954786 /nfs/dbraw/zinc/95/47/86/697954786.db2.gz UIZZCMIZDBUMMI-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1(CC)CC1 388359663 697954792 /nfs/dbraw/zinc/95/47/92/697954792.db2.gz SDINZUDNTLZWBD-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1(CC)CC1 388359661 697954874 /nfs/dbraw/zinc/95/48/74/697954874.db2.gz SDINZUDNTLZWBD-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@H](C)CCC 388363329 697954903 /nfs/dbraw/zinc/95/49/03/697954903.db2.gz UIZZCMIZDBUMMI-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H](C)CCC 388363334 697954961 /nfs/dbraw/zinc/95/49/61/697954961.db2.gz UIZZCMIZDBUMMI-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H](C)CCC 388363331 697955049 /nfs/dbraw/zinc/95/50/49/697955049.db2.gz UIZZCMIZDBUMMI-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)CNN=C1CCC[C@@H]1CC 388373542 697955292 /nfs/dbraw/zinc/95/52/92/697955292.db2.gz YEFVNUQZZYFMAR-JTQLQIEISA-N 0 0 180.295 2.718 10 30 AFEERN C=C(C)CNN=C1CCC[C@H]1CC 388373544 697955601 /nfs/dbraw/zinc/95/56/01/697955601.db2.gz YEFVNUQZZYFMAR-SNVBAGLBSA-N 0 0 180.295 2.718 10 30 AFEERN C[C@H]1CCCC1=NOC1CCC1 388377364 697955779 /nfs/dbraw/zinc/95/57/79/697955779.db2.gz DTJSUKDHFAOINO-QMMMGPOBSA-N 0 0 167.252 2.732 10 30 AFEERN C[C@@H]1CCCC1=NOC1CCC1 388377363 697955851 /nfs/dbraw/zinc/95/58/51/697955851.db2.gz DTJSUKDHFAOINO-MRVPVSSYSA-N 0 0 167.252 2.732 10 30 AFEERN CON=CCC1CCCCCC1 388387899 697956918 /nfs/dbraw/zinc/95/69/18/697956918.db2.gz ACXAAGGKOODGCP-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN C=CCC(C)(C)COC(=O)CC 388384784 697956934 /nfs/dbraw/zinc/95/69/34/697956934.db2.gz ZSAICJDWFNGNJJ-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN CC(=NNC1CCCC1)C(C)C 388388538 697957202 /nfs/dbraw/zinc/95/72/02/697957202.db2.gz ADTMMFDHAWUUAY-UHFFFAOYSA-N 0 0 168.284 2.551 10 30 AFEERN CCON=C1CC[C@@H](C)[C@@H](C)C1 388388893 697957593 /nfs/dbraw/zinc/95/75/93/697957593.db2.gz AKZNYWBXJQDYTN-BDAKNGLRSA-N 0 0 169.268 2.835 10 30 AFEERN CCON=C1CC[C@H](C)[C@@H](C)C1 388388895 697957639 /nfs/dbraw/zinc/95/76/39/697957639.db2.gz AKZNYWBXJQDYTN-IUCAKERBSA-N 0 0 169.268 2.835 10 30 AFEERN CCON=C1CC[C@@H](C)[C@H](C)C1 388388896 697957642 /nfs/dbraw/zinc/95/76/42/697957642.db2.gz AKZNYWBXJQDYTN-RKDXNWHRSA-N 0 0 169.268 2.835 10 30 AFEERN CC(C)SCCON=C1CCC1 388388809 697957650 /nfs/dbraw/zinc/95/76/50/697957650.db2.gz AHCWGCHACMBVPR-UHFFFAOYSA-N 0 0 187.308 2.685 10 30 AFEERN CCON=C1CC[C@H](C)[C@H](C)C1 388388894 697957652 /nfs/dbraw/zinc/95/76/52/697957652.db2.gz AKZNYWBXJQDYTN-DTWKUNHWSA-N 0 0 169.268 2.835 10 30 AFEERN CCCNN=C1CCC(C)(C)C1 388391747 697958377 /nfs/dbraw/zinc/95/83/77/697958377.db2.gz CMSPRPBAVKKVIB-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN C=CCCC(=O)O[C@H](C)CCC 388391336 697958413 /nfs/dbraw/zinc/95/84/13/697958413.db2.gz CIBSGNBYJZRKIW-SECBINFHSA-N 0 0 170.252 2.684 10 30 AFEERN C=CCCC(=O)O[C@@H](C)CCC 388391337 697958436 /nfs/dbraw/zinc/95/84/36/697958436.db2.gz CIBSGNBYJZRKIW-VIFPVBQESA-N 0 0 170.252 2.684 10 30 AFEERN CCCC(C)=NNC1CCCC1 388395225 697959604 /nfs/dbraw/zinc/95/96/04/697959604.db2.gz HJCPFXSXSVPECU-UHFFFAOYSA-N 0 0 168.284 2.695 10 30 AFEERN C#CCCCSCc1nccs1 388397325 697959927 /nfs/dbraw/zinc/95/99/27/697959927.db2.gz JUOAFDROQCTJJL-UHFFFAOYSA-N 0 0 197.328 2.790 10 30 AFEERN CC(C)CON=C1CCC[C@H]1C 388414599 697962874 /nfs/dbraw/zinc/96/28/74/697962874.db2.gz AKEHOIGLHQNSKP-SECBINFHSA-N 0 0 169.268 2.835 10 30 AFEERN C#CCON=CCCCCCC 388415695 697963015 /nfs/dbraw/zinc/96/30/15/697963015.db2.gz BBIUYKQFBXNJFX-UHFFFAOYSA-N 0 0 167.252 2.592 10 30 AFEERN CC(C)CON=C1CCC[C@@H]1C 388414600 697963086 /nfs/dbraw/zinc/96/30/86/697963086.db2.gz AKEHOIGLHQNSKP-VIFPVBQESA-N 0 0 169.268 2.835 10 30 AFEERN CCON=C1CC[C@@H]1C(C)(C)C 388419387 697963321 /nfs/dbraw/zinc/96/33/21/697963321.db2.gz GRFFGWNAXLVDEW-QMMMGPOBSA-N 0 0 169.268 2.835 10 30 AFEERN CSCCON=CC1(C)CCC1 388420661 697963614 /nfs/dbraw/zinc/96/36/14/697963614.db2.gz HMNPHFGYZMOXIN-UHFFFAOYSA-N 0 0 187.308 2.542 10 30 AFEERN CCON=C1CC[C@H]1C(C)(C)C 388419383 697963646 /nfs/dbraw/zinc/96/36/46/697963646.db2.gz GRFFGWNAXLVDEW-MRVPVSSYSA-N 0 0 169.268 2.835 10 30 AFEERN CCC[C@H](C)C=NOCCSC 388426944 697964592 /nfs/dbraw/zinc/96/45/92/697964592.db2.gz KZCABKXQVIXHLL-VIFPVBQESA-N 0 0 189.324 2.788 10 30 AFEERN CCC[C@@H](C)C=NOCCSC 388426941 697964621 /nfs/dbraw/zinc/96/46/21/697964621.db2.gz KZCABKXQVIXHLL-SECBINFHSA-N 0 0 189.324 2.788 10 30 AFEERN CCON=CC1CCCCCC1 388455942 697966774 /nfs/dbraw/zinc/96/67/74/697966774.db2.gz CZNBHEKIQCTEIX-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN CC[C@@H]1C[C@H](C)CCC1=NOC 388456926 697966952 /nfs/dbraw/zinc/96/69/52/697966952.db2.gz DIYKSALCHOKFJT-RKDXNWHRSA-N 0 0 169.268 2.835 10 30 AFEERN C=C[C@H](C)OC(=O)CCC(C)C 388475458 697968191 /nfs/dbraw/zinc/96/81/91/697968191.db2.gz QPNBPWVYBKAQNF-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)CCC(C)C 388475457 697968277 /nfs/dbraw/zinc/96/82/77/697968277.db2.gz QPNBPWVYBKAQNF-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN C#CCCCSCCOC(C)C 388482613 697968710 /nfs/dbraw/zinc/96/87/10/697968710.db2.gz WFHGTUACWDXDFB-UHFFFAOYSA-N 0 0 186.320 2.558 10 30 AFEERN C[C@H]1C[C@@H]1C=NOC1CCCC1 388487615 697969195 /nfs/dbraw/zinc/96/91/95/697969195.db2.gz DKFROFDXQBCBRA-DTWKUNHWSA-N 0 0 167.252 2.587 10 30 AFEERN C=CCCC[C@@H](C)OC(=O)CC 388487013 697969124 /nfs/dbraw/zinc/96/91/24/697969124.db2.gz CUUHNIYLHQVCGF-SECBINFHSA-N 0 0 170.252 2.684 10 30 AFEERN C[C@@H]1C[C@H]1C=NOC1CCCC1 388487614 697969219 /nfs/dbraw/zinc/96/92/19/697969219.db2.gz DKFROFDXQBCBRA-BDAKNGLRSA-N 0 0 167.252 2.587 10 30 AFEERN C[C@H]1C[C@H]1C=NOC1CCCC1 388487616 697969259 /nfs/dbraw/zinc/96/92/59/697969259.db2.gz DKFROFDXQBCBRA-IUCAKERBSA-N 0 0 167.252 2.587 10 30 AFEERN C[C@@H]1C[C@@H]1C=NOC1CCCC1 388487617 697969268 /nfs/dbraw/zinc/96/92/68/697969268.db2.gz DKFROFDXQBCBRA-RKDXNWHRSA-N 0 0 167.252 2.587 10 30 AFEERN C=CCCC[C@H](C)OC(=O)CC 388487014 697969295 /nfs/dbraw/zinc/96/92/95/697969295.db2.gz CUUHNIYLHQVCGF-VIFPVBQESA-N 0 0 170.252 2.684 10 30 AFEERN CCCNN=C(C)CC1CCC1 388486240 697969354 /nfs/dbraw/zinc/96/93/54/697969354.db2.gz CMUQUEQTULJJTM-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN C=C[C@@H](OC(=O)CC)C(C)(C)C 388494271 697970262 /nfs/dbraw/zinc/97/02/62/697970262.db2.gz IVVCVOPMUJXWBM-MRVPVSSYSA-N 0 0 170.252 2.540 10 30 AFEERN CON=CC1(C)CCCCCC1 388502431 697970787 /nfs/dbraw/zinc/97/07/87/697970787.db2.gz MVMGBXPNJGVQCH-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CCCC 388525343 697972778 /nfs/dbraw/zinc/97/27/78/697972778.db2.gz ZHXDCNRKWZLPSV-SECBINFHSA-N 0 0 170.252 2.684 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CCCC 388525345 697972895 /nfs/dbraw/zinc/97/28/95/697972895.db2.gz ZHXDCNRKWZLPSV-VIFPVBQESA-N 0 0 170.252 2.684 10 30 AFEERN C=C[C@](C)(CC)COC(=O)CC 388525859 697972912 /nfs/dbraw/zinc/97/29/12/697972912.db2.gz ZPMHJCGCQAOCMI-SNVBAGLBSA-N 0 0 170.252 2.542 10 30 AFEERN C=C[C@@](C)(CC)COC(=O)CC 388525858 697972972 /nfs/dbraw/zinc/97/29/72/697972972.db2.gz ZPMHJCGCQAOCMI-JTQLQIEISA-N 0 0 170.252 2.542 10 30 AFEERN C=C[C@@H](CC)OC(=O)CC1CCC1 388577065 697973246 /nfs/dbraw/zinc/97/32/46/697973246.db2.gz BYQDDAJBWVVBMD-JTQLQIEISA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@H](CC)OC(=O)CC1CCC1 388577067 697973331 /nfs/dbraw/zinc/97/33/31/697973331.db2.gz BYQDDAJBWVVBMD-SNVBAGLBSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCCCOC(=O)C(C)(C)F 388580478 697974397 /nfs/dbraw/zinc/97/43/97/697974397.db2.gz BCGFGTPODPVTQM-UHFFFAOYSA-N 0 0 188.242 2.634 10 30 AFEERN CCCC(CCC)=NOCCOC 388594788 697976457 /nfs/dbraw/zinc/97/64/57/697976457.db2.gz CHDSNBKKLCBILK-UHFFFAOYSA-N 0 0 187.283 2.606 10 30 AFEERN C(=NOCC1CCC1)c1cccs1 388595206 697976530 /nfs/dbraw/zinc/97/65/30/697976530.db2.gz CKNRPYAYKYHAOH-UHFFFAOYSA-N 0 0 195.287 2.899 10 30 AFEERN C#CCON=C(CC)C[C@@H](C)CC 388613757 697979078 /nfs/dbraw/zinc/97/90/78/697979078.db2.gz DZKWZHXPQRKJCH-JTQLQIEISA-N 0 0 181.279 2.838 10 30 AFEERN C#CCON=C(CC)C[C@H](C)CC 388613760 697979220 /nfs/dbraw/zinc/97/92/20/697979220.db2.gz DZKWZHXPQRKJCH-SNVBAGLBSA-N 0 0 181.279 2.838 10 30 AFEERN CC(=NOC1CCC1)c1ccoc1 388616584 697979625 /nfs/dbraw/zinc/97/96/25/697979625.db2.gz FSSWGVJIVHCWJU-UHFFFAOYSA-N 0 0 179.219 2.573 10 30 AFEERN C=CCCC(=O)OCCC1(C)CC1 388616542 697979789 /nfs/dbraw/zinc/97/97/89/697979789.db2.gz CZJZGTXHLULVJE-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)CCOC(=O)[C@@H](C)C(C)C 388615857 697979821 /nfs/dbraw/zinc/97/98/21/697979821.db2.gz ARALTXVHQPMVLE-JTQLQIEISA-N 0 0 184.279 2.788 10 30 AFEERN C=C(C)CCOC(=O)[C@H](C)C(C)C 388615861 697979880 /nfs/dbraw/zinc/97/98/80/697979880.db2.gz ARALTXVHQPMVLE-SNVBAGLBSA-N 0 0 184.279 2.788 10 30 AFEERN C#CCON=C(C)C1CCCCC1 388620673 697980624 /nfs/dbraw/zinc/98/06/24/697980624.db2.gz FIIQTLMFSXGTLN-UHFFFAOYSA-N 0 0 179.263 2.592 10 30 AFEERN C=C(C)COC(=O)C(C)(C)C(C)C 388628981 697982310 /nfs/dbraw/zinc/98/23/10/697982310.db2.gz IDJVSWBHGMPKQL-UHFFFAOYSA-N 0 0 184.279 2.788 10 30 AFEERN C=CCCOc1ccc(F)cc1F 388628270 697982429 /nfs/dbraw/zinc/98/24/29/697982429.db2.gz HTQBGXSHEYGNIS-UHFFFAOYSA-N 0 0 184.185 2.920 10 30 AFEERN C=C[C@H](C)OC(=O)CC(CC)CC 388635651 697983515 /nfs/dbraw/zinc/98/35/15/697983515.db2.gz MPAXJDCIZTUIBE-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)CC1CCCC1 388635888 697983358 /nfs/dbraw/zinc/98/33/58/697983358.db2.gz MPTZSCAOONQWFT-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)CC1CCCC1 388635887 697983611 /nfs/dbraw/zinc/98/36/11/697983611.db2.gz MPTZSCAOONQWFT-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)CC(CC)CC 388635650 697983651 /nfs/dbraw/zinc/98/36/51/697983651.db2.gz MPAXJDCIZTUIBE-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CCCCNc1cncc(Cl)n1 388639312 697983959 /nfs/dbraw/zinc/98/39/59/697983959.db2.gz NVHOBXLQBIUKJE-UHFFFAOYSA-N 0 0 197.669 2.508 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CC1CCC1 388655319 697985100 /nfs/dbraw/zinc/98/51/00/697985100.db2.gz TUHBGDOWMUFKIX-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CC1CCC1 388655320 697985229 /nfs/dbraw/zinc/98/52/29/697985229.db2.gz TUHBGDOWMUFKIX-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCCNc1cccc(F)n1 388660311 697985772 /nfs/dbraw/zinc/98/57/72/697985772.db2.gz VCFSDAZRVODWMP-UHFFFAOYSA-N 0 0 180.226 2.599 10 30 AFEERN C=CCCOC(=O)[C@H](C)CC(=C)C 388670620 697986508 /nfs/dbraw/zinc/98/65/08/697986508.db2.gz XWDVCNDHLJQBRQ-SNVBAGLBSA-N 0 0 182.263 2.708 10 30 AFEERN C=C[C@@H](CC)OC(=O)C1(CC)CC1 388674180 697986596 /nfs/dbraw/zinc/98/65/96/697986596.db2.gz YPVYTONTEBCRAR-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C(=NOCc1ccccc1)C1CC1 388677425 697986624 /nfs/dbraw/zinc/98/66/24/697986624.db2.gz ZIUBMNMRMGMHGW-UHFFFAOYSA-N 0 0 175.231 2.599 10 30 AFEERN C=CCCOC(=O)[C@@H](C)CC(=C)C 388670619 697986774 /nfs/dbraw/zinc/98/67/74/697986774.db2.gz XWDVCNDHLJQBRQ-JTQLQIEISA-N 0 0 182.263 2.708 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CCC(C)C 388686341 697987347 /nfs/dbraw/zinc/98/73/47/697987347.db2.gz JWEQOYUXMJZPOM-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CCC(C)C 388686339 697987630 /nfs/dbraw/zinc/98/76/30/697987630.db2.gz JWEQOYUXMJZPOM-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)CCC1CC1 388725317 697990279 /nfs/dbraw/zinc/99/02/79/697990279.db2.gz TZMNXFVSQOGOEM-JTQLQIEISA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCC(=O)OC[C@H](C)CCC 388701845 697988345 /nfs/dbraw/zinc/98/83/45/697988345.db2.gz NMHMCZJACXCNSO-SNVBAGLBSA-N 0 0 184.279 2.932 10 30 AFEERN C=C[C@@H](C)OC(=O)c1sccc1C 388704948 697988418 /nfs/dbraw/zinc/98/84/18/697988418.db2.gz ODFHTGJHMTZKFO-MRVPVSSYSA-N 0 0 196.271 2.788 10 30 AFEERN C=C(C)CCOC(=O)/C=C/C(C)C 388704104 697988535 /nfs/dbraw/zinc/98/85/35/697988535.db2.gz OAPMURZYHQAGSH-AATRIKPKSA-N 0 0 182.263 2.708 10 30 AFEERN C=C(C)CCOC(=O)/C=C\C(C)C 388704106 697988664 /nfs/dbraw/zinc/98/86/64/697988664.db2.gz OAPMURZYHQAGSH-WAYWQWQTSA-N 0 0 182.263 2.708 10 30 AFEERN C=C[C@H](C)OC(=O)c1sccc1C 388704950 697988682 /nfs/dbraw/zinc/98/86/82/697988682.db2.gz ODFHTGJHMTZKFO-QMMMGPOBSA-N 0 0 196.271 2.788 10 30 AFEERN C=CCCC(=O)OC[C@@H](C)CCC 388701843 697988657 /nfs/dbraw/zinc/98/86/57/697988657.db2.gz NMHMCZJACXCNSO-JTQLQIEISA-N 0 0 184.279 2.932 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CC[C@H](C)C1 388720201 697990113 /nfs/dbraw/zinc/99/01/13/697990113.db2.gz SDKFRIUIXMMKNQ-GUBZILKMSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CC[C@H](C)C1 388720204 697990120 /nfs/dbraw/zinc/99/01/20/697990120.db2.gz SDKFRIUIXMMKNQ-LPEHRKFASA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CC[C@@H](C)C1 388720202 697990193 /nfs/dbraw/zinc/99/01/93/697990193.db2.gz SDKFRIUIXMMKNQ-KXUCPTDWSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](CC)OC(=O)CCC1CC1 388725318 697990226 /nfs/dbraw/zinc/99/02/26/697990226.db2.gz TZMNXFVSQOGOEM-SNVBAGLBSA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CC[C@@H](C)C1 388720208 697990317 /nfs/dbraw/zinc/99/03/17/697990317.db2.gz SDKFRIUIXMMKNQ-UTLUCORTSA-N 0 0 182.263 2.540 10 30 AFEERN C=CCOC(=O)[C@@H](C)CC(C)(C)C 388728581 697990716 /nfs/dbraw/zinc/99/07/16/697990716.db2.gz UTXRPYJWQCEIMM-VIFPVBQESA-N 0 0 184.279 2.788 10 30 AFEERN C=CCOC(=O)[C@H](C)CC(C)(C)C 388728580 697990727 /nfs/dbraw/zinc/99/07/27/697990727.db2.gz UTXRPYJWQCEIMM-SECBINFHSA-N 0 0 184.279 2.788 10 30 AFEERN C=CCCCC(=O)OC/C=C\CC 388730983 697990854 /nfs/dbraw/zinc/99/08/54/697990854.db2.gz VHAXFPVMIBGXGC-VURMDHGXSA-N 0 0 182.263 2.852 10 30 AFEERN C=CCCCC(=O)OC/C=C/CC 388730982 697990973 /nfs/dbraw/zinc/99/09/73/697990973.db2.gz VHAXFPVMIBGXGC-SOFGYWHQSA-N 0 0 182.263 2.852 10 30 AFEERN C=CCCCC(=O)O[C@H](C=C)CC 388736687 697991222 /nfs/dbraw/zinc/99/12/22/697991222.db2.gz WSDHGXFDZAQDMK-SNVBAGLBSA-N 0 0 182.263 2.851 10 30 AFEERN C=CCCCC(=O)O[C@@H](C=C)CC 388736685 697991257 /nfs/dbraw/zinc/99/12/57/697991257.db2.gz WSDHGXFDZAQDMK-JTQLQIEISA-N 0 0 182.263 2.851 10 30 AFEERN C[C@@H]1CCCC1=NOCC(F)(F)F 388757333 697992910 /nfs/dbraw/zinc/99/29/10/697992910.db2.gz DATGXWPMRCQBFQ-ZCFIWIBFSA-N 0 0 195.184 2.741 10 30 AFEERN C[C@H]1CCCC1=NOCC(F)(F)F 388757330 697993144 /nfs/dbraw/zinc/99/31/44/697993144.db2.gz DATGXWPMRCQBFQ-LURJTMIESA-N 0 0 195.184 2.741 10 30 AFEERN C#CCCSc1nccn1C(C)C 388761581 697993549 /nfs/dbraw/zinc/99/35/49/697993549.db2.gz DQWRXNTYPXDDET-UHFFFAOYSA-N 0 0 194.303 2.579 10 30 AFEERN CC(=NO[C@H]1CCCCO1)C(C)C 388764527 697993672 /nfs/dbraw/zinc/99/36/72/697993672.db2.gz FDRIPNKDCKVSKQ-JTQLQIEISA-N 0 0 185.267 2.562 10 30 AFEERN CC(=NO[C@@H]1CCCCO1)C(C)C 388764536 697993789 /nfs/dbraw/zinc/99/37/89/697993789.db2.gz FDRIPNKDCKVSKQ-SNVBAGLBSA-N 0 0 185.267 2.562 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H](C)C(C)C 388767514 697994076 /nfs/dbraw/zinc/99/40/76/697994076.db2.gz FWNOFNMRVGFRLA-ZJUUUORDSA-N 0 0 184.279 2.786 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@H](C)C(C)C 388767497 697994229 /nfs/dbraw/zinc/99/42/29/697994229.db2.gz FWNOFNMRVGFRLA-NXEZZACHSA-N 0 0 184.279 2.786 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H](C)C(C)C 388767510 697994233 /nfs/dbraw/zinc/99/42/33/697994233.db2.gz FWNOFNMRVGFRLA-VHSXEESVSA-N 0 0 184.279 2.786 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H](C)C(C)C 388767504 697994318 /nfs/dbraw/zinc/99/43/18/697994318.db2.gz FWNOFNMRVGFRLA-UWVGGRQHSA-N 0 0 184.279 2.786 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C=C1CCC1 388775656 697994770 /nfs/dbraw/zinc/99/47/70/697994770.db2.gz HXZRDDHILGUNKV-VIFPVBQESA-N 0 0 180.247 2.605 10 30 AFEERN CC(C)(C)[C@H]1CCC1=NNC1CC1 388778679 697994776 /nfs/dbraw/zinc/99/47/76/697994776.db2.gz JABBWDNFSLSDKN-VIFPVBQESA-N 0 0 180.295 2.551 10 30 AFEERN CC(C)(C)CC=NOCC(F)(F)F 388776198 697994821 /nfs/dbraw/zinc/99/48/21/697994821.db2.gz IBPXUZCSNRCJKO-UHFFFAOYSA-N 0 0 197.200 2.987 10 30 AFEERN CC(C)(C)[C@@H]1CCC1=NNC1CC1 388778678 697994956 /nfs/dbraw/zinc/99/49/56/697994956.db2.gz JABBWDNFSLSDKN-SECBINFHSA-N 0 0 180.295 2.551 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C=C1CCC1 388775653 697994966 /nfs/dbraw/zinc/99/49/66/697994966.db2.gz HXZRDDHILGUNKV-SECBINFHSA-N 0 0 180.247 2.605 10 30 AFEERN C=C(C)COC(=O)c1csc(C)c1 388815569 697997639 /nfs/dbraw/zinc/99/76/39/697997639.db2.gz SBWIKVAICVIVKP-UHFFFAOYSA-N 0 0 196.271 2.789 10 30 AFEERN C=C[C@@H](CC)OC(=O)C[C@H](C)CC 388831044 697998641 /nfs/dbraw/zinc/99/86/41/697998641.db2.gz WDDISPPPMFOSCM-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](CC)OC(=O)C[C@@H](C)CC 388831043 697998644 /nfs/dbraw/zinc/99/86/44/697998644.db2.gz WDDISPPPMFOSCM-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)C[C@@H](C)CC 388831041 697998668 /nfs/dbraw/zinc/99/86/68/697998668.db2.gz WDDISPPPMFOSCM-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](CC)OC(=O)C[C@H](C)CC 388831040 697998731 /nfs/dbraw/zinc/99/87/31/697998731.db2.gz WDDISPPPMFOSCM-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN CC(CC1CCC1)=NOCC(F)F 388855892 698000443 /nfs/dbraw/zinc/00/04/43/698000443.db2.gz CLSMCSWHCKYFQV-UHFFFAOYSA-N 0 0 191.221 2.834 10 30 AFEERN C=C(C)CCOC(=O)CC(C)(C)C 388862097 698000459 /nfs/dbraw/zinc/00/04/59/698000459.db2.gz DZHJEOGFZNNOQF-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C#CCCCSCC1CCOCC1 388892219 698001576 /nfs/dbraw/zinc/00/15/76/698001576.db2.gz LOEGBNSNHFGYRO-UHFFFAOYSA-N 0 0 198.331 2.560 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1(C)CCC1 388898490 698002280 /nfs/dbraw/zinc/00/22/80/698002280.db2.gz MWRAQHBYCKMMIW-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1(C)CCC1 388898492 698002317 /nfs/dbraw/zinc/00/23/17/698002317.db2.gz MWRAQHBYCKMMIW-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)C1(C)CCCC1 388914870 698002723 /nfs/dbraw/zinc/00/27/23/698002723.db2.gz QIEXYXPXMFQLBB-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)C1(C)CCCC1 388914871 698002981 /nfs/dbraw/zinc/00/29/81/698002981.db2.gz QIEXYXPXMFQLBB-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@H]1C[C@@H]1C 393232129 698013493 /nfs/dbraw/zinc/01/34/93/698013493.db2.gz GNBMNPRFPPPZCX-AEJSXWLSSA-N 0 0 182.263 2.540 10 30 AFEERN CCC(C)=NN[C@@H](C)C(C)(C)C 393322360 698015341 /nfs/dbraw/zinc/01/53/41/698015341.db2.gz FDJPVYJSAFTLCJ-VIFPVBQESA-N 0 0 170.300 2.797 10 30 AFEERN CCON=C(C)CCC(F)(F)F 393323656 698015342 /nfs/dbraw/zinc/01/53/42/698015342.db2.gz INZKSCQXSCMYQN-UHFFFAOYSA-N 0 0 183.173 2.741 10 30 AFEERN C=C(CC)COC(=O)CC(C)C 393322826 698015371 /nfs/dbraw/zinc/01/53/71/698015371.db2.gz GDKSTAQDORGWOA-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN CCC(C)=NN[C@H](C)C(C)(C)C 393322358 698015495 /nfs/dbraw/zinc/01/54/95/698015495.db2.gz FDJPVYJSAFTLCJ-SECBINFHSA-N 0 0 170.300 2.797 10 30 AFEERN C=C(C)CNN=CC(CC)CC 393325558 698015525 /nfs/dbraw/zinc/01/55/25/698015525.db2.gz ZVHZPADTQCRNOY-UHFFFAOYSA-N 0 0 168.284 2.574 10 30 AFEERN C[C@@H]1C(=NOCC(F)(F)F)C[C@H]1C 393923533 698028618 /nfs/dbraw/zinc/02/86/18/698028618.db2.gz NUYSPAIHODLNCX-RITPCOANSA-N 0 0 195.184 2.597 10 30 AFEERN CCCCCC=NOCCSC 393330685 698016129 /nfs/dbraw/zinc/01/61/29/698016129.db2.gz HVQKFOGYADRTMT-UHFFFAOYSA-N 0 0 189.324 2.932 10 30 AFEERN C[C@H]1CC(=NOCCC2CC2)[C@H]1C 393519570 698018237 /nfs/dbraw/zinc/01/82/37/698018237.db2.gz NXTZBBGCZCWPJW-IUCAKERBSA-N 0 0 181.279 2.835 10 30 AFEERN C[C@H]1CC(=NOCCC2CC2)[C@@H]1C 393519569 698018531 /nfs/dbraw/zinc/01/85/31/698018531.db2.gz NXTZBBGCZCWPJW-DTWKUNHWSA-N 0 0 181.279 2.835 10 30 AFEERN C[C@@H]1CC(=NOCCC2CC2)[C@@H]1C 393519571 698018589 /nfs/dbraw/zinc/01/85/89/698018589.db2.gz NXTZBBGCZCWPJW-RKDXNWHRSA-N 0 0 181.279 2.835 10 30 AFEERN CC(=NOCC1CC1)[C@@H]1CC1(C)C 393478205 698018627 /nfs/dbraw/zinc/01/86/27/698018627.db2.gz HKDMYTLKJDRXFC-JTQLQIEISA-N 0 0 181.279 2.835 10 30 AFEERN C[C@@H]1C(=NOCCC2CC2)C[C@H]1C 393519568 698018678 /nfs/dbraw/zinc/01/86/78/698018678.db2.gz NXTZBBGCZCWPJW-BDAKNGLRSA-N 0 0 181.279 2.835 10 30 AFEERN CCCCC=NOCC1CC1 393526908 698019107 /nfs/dbraw/zinc/01/91/07/698019107.db2.gz FRRCHIYUWSLLKC-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C=CCCCNC(=O)C(C)(C)CC 393586698 698019832 /nfs/dbraw/zinc/01/98/32/698019832.db2.gz UPAXKQKLIZNDLY-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN CC(C)(C)C=NO[C@H]1CCCCO1 393704562 698022033 /nfs/dbraw/zinc/02/20/33/698022033.db2.gz AJROVDBELLFIQL-VIFPVBQESA-N 0 0 185.267 2.562 10 30 AFEERN C=CCOC(=O)C(C)(C)C(C)(C)C 393705397 698022282 /nfs/dbraw/zinc/02/22/82/698022282.db2.gz DHDAOPKFUXCOEJ-UHFFFAOYSA-N 0 0 184.279 2.788 10 30 AFEERN CC(C)(C)C=NO[C@@H]1CCCCO1 393704560 698022292 /nfs/dbraw/zinc/02/22/92/698022292.db2.gz AJROVDBELLFIQL-SECBINFHSA-N 0 0 185.267 2.562 10 30 AFEERN C=C[C@@H](C)OC(=O)CCCC1CC1 393707775 698022656 /nfs/dbraw/zinc/02/26/56/698022656.db2.gz ARUOCRVMKMVSRZ-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)CCCC1CC1 393707778 698022709 /nfs/dbraw/zinc/02/27/09/698022709.db2.gz ARUOCRVMKMVSRZ-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CCOC(=O)CC1CC(C)(C)C1 393706461 698022855 /nfs/dbraw/zinc/02/28/55/698022855.db2.gz VKAWCSBLADAPAM-UHFFFAOYSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCOC(=O)/C=C/C(C)(C)C 393711948 698023227 /nfs/dbraw/zinc/02/32/27/698023227.db2.gz AAUCCCSMMJFJMA-BQYQJAHWSA-N 0 0 182.263 2.708 10 30 AFEERN CCCC(CC)=NOCCOCC 393710244 698023283 /nfs/dbraw/zinc/02/32/83/698023283.db2.gz HICNCZWQKPVMHT-UHFFFAOYSA-N 0 0 187.283 2.606 10 30 AFEERN C=CCCOC(=O)/C=C\C(C)(C)C 393711949 698023407 /nfs/dbraw/zinc/02/34/07/698023407.db2.gz AAUCCCSMMJFJMA-FPLPWBNLSA-N 0 0 182.263 2.708 10 30 AFEERN C#CCCCSCC[C@@H]1CCCO1 393719239 698025575 /nfs/dbraw/zinc/02/55/75/698025575.db2.gz AXINYCIWCOGXDA-NSHDSACASA-N 0 0 198.331 2.702 10 30 AFEERN C#CCCCSCC[C@H]1CCCO1 393719238 698025609 /nfs/dbraw/zinc/02/56/09/698025609.db2.gz AXINYCIWCOGXDA-LLVKDONJSA-N 0 0 198.331 2.702 10 30 AFEERN C[C@@H](C=NOCC(F)F)C(C)(C)C 393721400 698026826 /nfs/dbraw/zinc/02/68/26/698026826.db2.gz BQHHBCMRZLWFPL-ZETCQYMHSA-N 0 0 193.237 2.936 10 30 AFEERN C[C@H](C=NOCC(F)F)C(C)(C)C 393721398 698026877 /nfs/dbraw/zinc/02/68/77/698026877.db2.gz BQHHBCMRZLWFPL-SSDOTTSWSA-N 0 0 193.237 2.936 10 30 AFEERN C=C(C)CNN=C1CCCC[C@H]1C 393724065 698027148 /nfs/dbraw/zinc/02/71/48/698027148.db2.gz RERRNAGMQAYEMW-SNVBAGLBSA-N 0 0 180.295 2.718 10 30 AFEERN C=C(C)CNN=C1CCCC[C@@H]1C 393724063 698027442 /nfs/dbraw/zinc/02/74/42/698027442.db2.gz RERRNAGMQAYEMW-JTQLQIEISA-N 0 0 180.295 2.718 10 30 AFEERN C[C@@H]1CC(=NOCC(F)(F)F)[C@@H]1C 393923529 698028647 /nfs/dbraw/zinc/02/86/47/698028647.db2.gz NUYSPAIHODLNCX-PHDIDXHHSA-N 0 0 195.184 2.597 10 30 AFEERN C[C@H]1CC(=NOCC(F)(F)F)[C@@H]1C 393923526 698028756 /nfs/dbraw/zinc/02/87/56/698028756.db2.gz NUYSPAIHODLNCX-NTSWFWBYSA-N 0 0 195.184 2.597 10 30 AFEERN C[C@H]1CC(=NOCC(F)(F)F)[C@H]1C 393923536 698028803 /nfs/dbraw/zinc/02/88/03/698028803.db2.gz NUYSPAIHODLNCX-WDSKDSINSA-N 0 0 195.184 2.597 10 30 AFEERN N#CCSC1=Nc2ccccc2C1 606261294 698048625 /nfs/dbraw/zinc/04/86/25/698048625.db2.gz ASPXZVQBTXVDHV-UHFFFAOYSA-N 0 0 188.255 2.529 10 30 AFEERN CCCCCCCNc1cccnn1 705842567 698054468 /nfs/dbraw/zinc/05/44/68/698054468.db2.gz VZBTVWIPDZEADS-UHFFFAOYSA-N 0 0 193.294 2.859 10 30 AFEERN C=CC(C)(C)CCNC(=O)C=C(C)C 706458723 698055069 /nfs/dbraw/zinc/05/50/69/698055069.db2.gz ADYKHYQSNPJNGD-UHFFFAOYSA-N 0 0 195.306 2.671 10 30 AFEERN CCCSCc1cncc(C#N)c1 721538481 698069590 /nfs/dbraw/zinc/06/95/90/698069590.db2.gz GZRHSBBWKJZVBS-UHFFFAOYSA-N 0 0 192.287 2.596 10 30 AFEERN C=C1CCC(CNC(=O)CCC)CC1 724454046 698076661 /nfs/dbraw/zinc/07/66/61/698076661.db2.gz DSYKWTHFGQVGQJ-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=C1CCC(CNC(=O)C(C)C)CC1 724455080 698076685 /nfs/dbraw/zinc/07/66/85/698076685.db2.gz SJNZNBIMZUXNSA-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN Cc1ccc(N=NC2CCCC2)nc1 727263198 698080327 /nfs/dbraw/zinc/08/03/27/698080327.db2.gz RHPALUFILQRSOC-UHFFFAOYSA-N 0 0 189.262 2.732 10 30 AFEERN CCC(CC)N=Nc1ccc(C)cn1 727260551 698080341 /nfs/dbraw/zinc/08/03/41/698080341.db2.gz YHJDUCXJRREQLQ-UHFFFAOYSA-N 0 0 191.278 2.978 10 30 AFEERN Cc1ccc(N=NC(C)C(C)C)nc1 727260358 698080521 /nfs/dbraw/zinc/08/05/21/698080521.db2.gz UOFRXPYHVSSSRX-UHFFFAOYSA-N 0 0 191.278 2.834 10 30 AFEERN Cc1ccc(N=NCCC(C)C)nc1 727260454 698080527 /nfs/dbraw/zinc/08/05/27/698080527.db2.gz XLHOFJWXQVICNZ-UHFFFAOYSA-N 0 0 191.278 2.834 10 30 AFEERN CCCC(C)N=Nc1ccc(C)cn1 727259890 698080543 /nfs/dbraw/zinc/08/05/43/698080543.db2.gz MRKUMYXLZZZLNN-UHFFFAOYSA-N 0 0 191.278 2.978 10 30 AFEERN CON=C1CC(C)(c2ccccc2)C1 729635120 698081877 /nfs/dbraw/zinc/08/18/77/698081877.db2.gz DDSDDAXPAFODOG-UHFFFAOYSA-N 0 0 189.258 2.741 10 30 AFEERN C=CCN(C(=O)/C=C\CCC)C(C)C 729371463 698081894 /nfs/dbraw/zinc/08/18/94/698081894.db2.gz CHDABUOMUNNSBV-HJWRWDBZSA-N 0 0 195.306 2.766 10 30 AFEERN C=CCN(C(=O)/C=C/CCC)C(C)C 729371462 698082027 /nfs/dbraw/zinc/08/20/27/698082027.db2.gz CHDABUOMUNNSBV-CMDGGOBGSA-N 0 0 195.306 2.766 10 30 AFEERN CCC(CC)NN=Cc1ccccc1 734364818 698083307 /nfs/dbraw/zinc/08/33/07/698083307.db2.gz HGMIPORJHOAZMM-UHFFFAOYSA-N 0 0 190.290 2.799 10 30 AFEERN C=CCCCOC(=O)CCCC#CC 767663178 698090965 /nfs/dbraw/zinc/09/09/65/698090965.db2.gz FHYLJJNCBJCYLH-UHFFFAOYSA-N 0 0 194.274 2.689 10 30 AFEERN COCCON=C(C)CCC=C(C)C 749163920 698084129 /nfs/dbraw/zinc/08/41/29/698084129.db2.gz CNSYSNVGTBOQBU-UHFFFAOYSA-N 0 0 199.294 2.772 10 30 AFEERN CCc1ccc(C=NOCC(C)C)o1 749635937 698084355 /nfs/dbraw/zinc/08/43/55/698084355.db2.gz AHPGIQLCXXTLBQ-UHFFFAOYSA-N 0 0 195.262 2.849 10 30 AFEERN C#C[C@H](OC(=O)CCCCC)C1CC1 760151701 698087346 /nfs/dbraw/zinc/08/73/46/698087346.db2.gz NNAGJGUXQLINDW-NSHDSACASA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@@H](OC(=O)CCCCC)C1CC1 760151700 698087353 /nfs/dbraw/zinc/08/73/53/698087353.db2.gz NNAGJGUXQLINDW-LLVKDONJSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCCOC(=O)[C@H](C)CC(C)C 765550370 698089268 /nfs/dbraw/zinc/08/92/68/698089268.db2.gz NVGJNGYILABFAT-LLVKDONJSA-N 0 0 196.290 2.625 10 30 AFEERN CC(C)C[C@H](C)C(=O)OCCCC#N 765531145 698089369 /nfs/dbraw/zinc/08/93/69/698089369.db2.gz QXKMCQJIDJNXSN-JTQLQIEISA-N 0 0 197.278 2.516 10 30 AFEERN CC(C)C[C@@H](C)C(=O)OCCCC#N 765531146 698089378 /nfs/dbraw/zinc/08/93/78/698089378.db2.gz QXKMCQJIDJNXSN-SNVBAGLBSA-N 0 0 197.278 2.516 10 30 AFEERN CC#CCCOC(=O)[C@@H](C)CC(C)C 765524671 698089553 /nfs/dbraw/zinc/08/95/53/698089553.db2.gz BETRYUYAHFTJPR-NSHDSACASA-N 0 0 196.290 2.625 10 30 AFEERN C#CCCCOC(=O)[C@@H](C)CC(C)C 765550371 698089604 /nfs/dbraw/zinc/08/96/04/698089604.db2.gz NVGJNGYILABFAT-NSHDSACASA-N 0 0 196.290 2.625 10 30 AFEERN CC#CCCOC(=O)[C@H](C)CC(C)C 765524669 698089629 /nfs/dbraw/zinc/08/96/29/698089629.db2.gz BETRYUYAHFTJPR-LLVKDONJSA-N 0 0 196.290 2.625 10 30 AFEERN CC(C)C[C@@H](C)C(=O)O[C@H](C)CC#N 765604234 698089768 /nfs/dbraw/zinc/08/97/68/698089768.db2.gz LSBOFLVWMUVRHL-NXEZZACHSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C[C@H](C)C(=O)OC(C)(C)C#N 765610500 698089775 /nfs/dbraw/zinc/08/97/75/698089775.db2.gz RCPIOIZYMTYAGZ-VIFPVBQESA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C[C@H](C)C(=O)O[C@H](C)CC#N 765604238 698089812 /nfs/dbraw/zinc/08/98/12/698089812.db2.gz LSBOFLVWMUVRHL-VHSXEESVSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@H](C#N)OC(=O)[C@H](C)CC(C)C 765608471 698089817 /nfs/dbraw/zinc/08/98/17/698089817.db2.gz CVOCJPAXQLIXEA-NXEZZACHSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C[C@H](C)C(=O)O[C@@H](C)CC#N 765604236 698089822 /nfs/dbraw/zinc/08/98/22/698089822.db2.gz LSBOFLVWMUVRHL-UWVGGRQHSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@H](C#N)OC(=O)[C@@H](C)CC(C)C 765608473 698089827 /nfs/dbraw/zinc/08/98/27/698089827.db2.gz CVOCJPAXQLIXEA-VHSXEESVSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](C#N)OC(=O)[C@H](C)CC(C)C 765608474 698089920 /nfs/dbraw/zinc/08/99/20/698089920.db2.gz CVOCJPAXQLIXEA-ZJUUUORDSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](C#N)OC(=O)[C@@H](C)CC(C)C 765608472 698089981 /nfs/dbraw/zinc/08/99/81/698089981.db2.gz CVOCJPAXQLIXEA-UWVGGRQHSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C[C@@H](C)C(=O)OC(C)(C)C#N 765610498 698090057 /nfs/dbraw/zinc/09/00/57/698090057.db2.gz RCPIOIZYMTYAGZ-SECBINFHSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C[C@@H](C)C(=O)O[C@@H](C)CC#N 765604239 698090062 /nfs/dbraw/zinc/09/00/62/698090062.db2.gz LSBOFLVWMUVRHL-ZJUUUORDSA-N 0 0 197.278 2.514 10 30 AFEERN CC#CCCCC(=O)OCCC(C)C 767663426 698090682 /nfs/dbraw/zinc/09/06/82/698090682.db2.gz HTUHKGZJRYJUIO-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN CC#CCCCC(=O)OCCCCC 767670519 698090692 /nfs/dbraw/zinc/09/06/92/698090692.db2.gz FXTRKCOTYJGVMO-UHFFFAOYSA-N 0 0 196.290 2.913 10 30 AFEERN CC#CCCCC(=O)OCCC1CC1 767665426 698090926 /nfs/dbraw/zinc/09/09/26/698090926.db2.gz HAMIUOWTFPOIBM-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=C(CC)COC(=O)CCCC#CC 767670580 698091006 /nfs/dbraw/zinc/09/10/06/698091006.db2.gz CIEIEQCAGLGKOD-UHFFFAOYSA-N 0 0 194.274 2.689 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OCCC1CC1 767689964 698091203 /nfs/dbraw/zinc/09/12/03/698091203.db2.gz LEVNEBSORRDFND-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OCCC1CC1 767689963 698091221 /nfs/dbraw/zinc/09/12/21/698091221.db2.gz LEVNEBSORRDFND-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CCCC#CC 768029223 698091404 /nfs/dbraw/zinc/09/14/04/698091404.db2.gz ZVBONAOGBFSRDA-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@H](C)CC(=C)C 768041466 698091419 /nfs/dbraw/zinc/09/14/19/698091419.db2.gz IFNMIADMFRIGRO-GHMZBOCLSA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@@H](CC)OC(=O)C1(CC)CCC1 768045022 698091501 /nfs/dbraw/zinc/09/15/01/698091501.db2.gz UYOSPZZWQMATQK-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@@H](CC)OC(=O)[C@@H](C)C(C)(C)C 768045848 698091525 /nfs/dbraw/zinc/09/15/25/698091525.db2.gz DOLVNGPZJRXMEZ-ZJUUUORDSA-N 0 0 196.290 2.624 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CCCC#CC 768029222 698091558 /nfs/dbraw/zinc/09/15/58/698091558.db2.gz ZVBONAOGBFSRDA-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C#C[C@@H](CC)OC(=O)[C@H](C)C(C)(C)C 768045841 698091581 /nfs/dbraw/zinc/09/15/81/698091581.db2.gz DOLVNGPZJRXMEZ-UWVGGRQHSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](CC)OC(=O)[C@@H](C)CC(=C)C 768041469 698091606 /nfs/dbraw/zinc/09/16/06/698091606.db2.gz IFNMIADMFRIGRO-QWRGUYRKSA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@H](CC)OC(=O)C[C@@H](C)CCC 768061046 698091638 /nfs/dbraw/zinc/09/16/38/698091638.db2.gz RBNJBLCEGUGJBO-WDEREUQCSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)C1(CC)CCC1 768045024 698091657 /nfs/dbraw/zinc/09/16/57/698091657.db2.gz UYOSPZZWQMATQK-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@@H](CC)OC(=O)[C@H](C)CC(=C)C 768041467 698091671 /nfs/dbraw/zinc/09/16/71/698091671.db2.gz IFNMIADMFRIGRO-MNOVXSKESA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@@H](CC)OC(=O)CCC(C)(C)C 768043716 698091673 /nfs/dbraw/zinc/09/16/73/698091673.db2.gz KSZMJVUXTRAOEJ-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@@H](CC)OC(=O)C1(C)CCCC1 768046369 698091680 /nfs/dbraw/zinc/09/16/80/698091680.db2.gz GBGKFEQPPRQVRQ-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@H](CC)OC(=O)C1(C)CCCC1 768046370 698091684 /nfs/dbraw/zinc/09/16/84/698091684.db2.gz GBGKFEQPPRQVRQ-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@H](C)C(C)(C)C 768045845 698091695 /nfs/dbraw/zinc/09/16/95/698091695.db2.gz DOLVNGPZJRXMEZ-VHSXEESVSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@@H](C)CC(=C)C 768041471 698091742 /nfs/dbraw/zinc/09/17/42/698091742.db2.gz IFNMIADMFRIGRO-WDEREUQCSA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@H](CC)OC(=O)CCC(C)(C)C 768043717 698091771 /nfs/dbraw/zinc/09/17/71/698091771.db2.gz KSZMJVUXTRAOEJ-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@@H](C)C(C)(C)C 768045836 698091774 /nfs/dbraw/zinc/09/17/74/698091774.db2.gz DOLVNGPZJRXMEZ-NXEZZACHSA-N 0 0 196.290 2.624 10 30 AFEERN C=CCCCCNC(=O)[C@@H]1CC1(C)C 770080963 698093188 /nfs/dbraw/zinc/09/31/88/698093188.db2.gz AXGBWKJCRFGNAU-JTQLQIEISA-N 0 0 195.306 2.505 10 30 AFEERN CCON=Cc1c(F)cccc1CC 794490185 698097677 /nfs/dbraw/zinc/09/76/77/698097677.db2.gz LBUMNRMCJOTUKX-UHFFFAOYSA-N 0 0 195.237 2.759 10 30 AFEERN FC1(C=NOCc2ccccc2)CC1 794488312 698097826 /nfs/dbraw/zinc/09/78/26/698097826.db2.gz FUURJPURLOCNMJ-UHFFFAOYSA-N 0 0 193.221 2.691 10 30 AFEERN C=C(C)COC(=O)CC1CC(C)(C)C1 796283800 698098164 /nfs/dbraw/zinc/09/81/64/698098164.db2.gz URZQFAHKRLCRDR-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@@H](C)OC(=O)CC1CC(C)(C)C1 797127660 698098176 /nfs/dbraw/zinc/09/81/76/698098176.db2.gz AAKAFQYEOZSCNY-SECBINFHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCCOC(=O)CC1CC(C)(C)C1 796274392 698098183 /nfs/dbraw/zinc/09/81/83/698098183.db2.gz YTLGPSKJFKWDPF-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCN1CCc2cc(C)c(C)cc21 796238140 698098254 /nfs/dbraw/zinc/09/82/54/698098254.db2.gz LKYRKIYXMBDCHC-UHFFFAOYSA-N 0 0 187.286 2.852 10 30 AFEERN C=C[C@H](C)OC(=O)CC1CC(C)(C)C1 797127661 698098260 /nfs/dbraw/zinc/09/82/60/698098260.db2.gz AAKAFQYEOZSCNY-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN C#CCCN1CCc2cc(C)c(C)cc21 796236358 698098223 /nfs/dbraw/zinc/09/82/23/698098223.db2.gz LPSININWVFWFAX-UHFFFAOYSA-N 0 0 199.297 2.689 10 30 AFEERN CCCC(=O)OCC(C)(C)CCC#N 798877084 698098359 /nfs/dbraw/zinc/09/83/59/698098359.db2.gz GIHKLEIVNARRPP-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN C/C=C(/C)C(=O)OCC#CC(C)(C)C 798887227 698098381 /nfs/dbraw/zinc/09/83/81/698098381.db2.gz DKGOUWBQIHXLGC-POHAHGRESA-N 0 0 194.274 2.545 10 30 AFEERN CC(C)C(=O)OCC(C)(C)CCC#N 798879782 698098396 /nfs/dbraw/zinc/09/83/96/698098396.db2.gz ZTDCPAJVRCOVKQ-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN CC(C)=CC(=O)OCC#CC(C)(C)C 798888599 698098414 /nfs/dbraw/zinc/09/84/14/698098414.db2.gz MZURAZARFGYIMY-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN C/C=C(\C)C(=O)OCC#CC(C)(C)C 798887233 698098421 /nfs/dbraw/zinc/09/84/21/698098421.db2.gz DKGOUWBQIHXLGC-UXBLZVDNSA-N 0 0 194.274 2.545 10 30 AFEERN CCCCC(=O)OCC#CC(C)(C)C 798886314 698098442 /nfs/dbraw/zinc/09/84/42/698098442.db2.gz LJKRXDWXFGYGMO-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN CC[C@H](C)C(=O)OCC#CC(C)(C)C 798888804 698098466 /nfs/dbraw/zinc/09/84/66/698098466.db2.gz UBYPODCBJREWEB-JTQLQIEISA-N 0 0 196.290 2.625 10 30 AFEERN C=CCCC(=O)OCC#CC(C)(C)C 798889820 698098520 /nfs/dbraw/zinc/09/85/20/698098520.db2.gz RISFJLIUCXDBMR-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN CC[C@@H](C)C(=O)OCC#CC(C)(C)C 798888805 698098539 /nfs/dbraw/zinc/09/85/39/698098539.db2.gz UBYPODCBJREWEB-SNVBAGLBSA-N 0 0 196.290 2.625 10 30 AFEERN CC(C)(C)C#CCOC(=O)C(C)(C)C 798889720 698098550 /nfs/dbraw/zinc/09/85/50/698098550.db2.gz LFXZHLZPUGYVGR-UHFFFAOYSA-N 0 0 196.290 2.625 10 30 AFEERN CC(C)CC(=O)OCC#CC(C)(C)C 798887737 698098592 /nfs/dbraw/zinc/09/85/92/698098592.db2.gz JNRQHVUIHPVATP-UHFFFAOYSA-N 0 0 196.290 2.625 10 30 AFEERN COc1ccccc1CON=C(C)C 799118451 698099094 /nfs/dbraw/zinc/09/90/94/698099094.db2.gz HALIVCPRPIXBCT-UHFFFAOYSA-N 0 0 193.246 2.608 10 30 AFEERN C#C[C@@H](CC)OC(=O)CC[C@@H](C)CC 802766139 698101239 /nfs/dbraw/zinc/10/12/39/698101239.db2.gz YYPNOXOQQNFNGT-QWRGUYRKSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)CC[C@@H](C)CC 802766140 698101253 /nfs/dbraw/zinc/10/12/53/698101253.db2.gz YYPNOXOQQNFNGT-WDEREUQCSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)CC[C@H](C)CC 802766137 698101348 /nfs/dbraw/zinc/10/13/48/698101348.db2.gz YYPNOXOQQNFNGT-GHMZBOCLSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@@H](CC)OC(=O)CC[C@H](C)CC 802766138 698101392 /nfs/dbraw/zinc/10/13/92/698101392.db2.gz YYPNOXOQQNFNGT-MNOVXSKESA-N 0 0 196.290 2.768 10 30 AFEERN CON=C(C)[C@@H]1C[C@H]1c1ccccc1 802708184 698101412 /nfs/dbraw/zinc/10/14/12/698101412.db2.gz GUBNXCNILMDOST-RYUDHWBXSA-N 0 0 189.258 2.812 10 30 AFEERN C=C(C)CNN=C[C@H]1CCCC[C@@H]1C 811652143 698102402 /nfs/dbraw/zinc/10/24/02/698102402.db2.gz BYGYDNUKDDKUQE-NWDGAFQWSA-N 0 0 194.322 2.964 10 30 AFEERN C=CCCC(=NNCC(=C)C)C1CC1 811651432 698102414 /nfs/dbraw/zinc/10/24/14/698102414.db2.gz XHTHPKBIXUHAQN-UHFFFAOYSA-N 0 0 192.306 2.884 10 30 AFEERN C=C(C)CNN=C[C@@H]1CCCC[C@H]1C 811652142 698102420 /nfs/dbraw/zinc/10/24/20/698102420.db2.gz BYGYDNUKDDKUQE-NEPJUHHUSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C[C@@H]1CCCC[C@@H]1C 811652144 698102424 /nfs/dbraw/zinc/10/24/24/698102424.db2.gz BYGYDNUKDDKUQE-RYUDHWBXSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C[C@H]1CCCC[C@H]1C 811652145 698102435 /nfs/dbraw/zinc/10/24/35/698102435.db2.gz BYGYDNUKDDKUQE-VXGBXAGGSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CCC12CCCC2 811651881 698102504 /nfs/dbraw/zinc/10/25/04/698102504.db2.gz OYDUOCQSZHSCNG-UHFFFAOYSA-N 0 0 192.306 2.862 10 30 AFEERN C#CCON=C1CCCC[C@H]1C(C)C 812233660 698103063 /nfs/dbraw/zinc/10/30/63/698103063.db2.gz AUDGVHPNSMIDHN-NSHDSACASA-N 0 0 193.290 2.838 10 30 AFEERN C#CCON=C1CCCC[C@@H]1C(C)C 812233659 698103083 /nfs/dbraw/zinc/10/30/83/698103083.db2.gz AUDGVHPNSMIDHN-LLVKDONJSA-N 0 0 193.290 2.838 10 30 AFEERN C=CCC[C@H](C)OC(=O)CCCC#N 812618751 698103675 /nfs/dbraw/zinc/10/36/75/698103675.db2.gz ZCQZHRLDXRYBMY-JTQLQIEISA-N 0 0 195.262 2.578 10 30 AFEERN C=CCC[C@@H](C)OC(=O)CCCC#N 812618753 698103861 /nfs/dbraw/zinc/10/38/61/698103861.db2.gz ZCQZHRLDXRYBMY-SNVBAGLBSA-N 0 0 195.262 2.578 10 30 AFEERN CC(C)CCCOC(=O)CCCC#N 812617897 698103869 /nfs/dbraw/zinc/10/38/69/698103869.db2.gz FJEXIXWQGGZEFX-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN CC(C)(C)CCOC(=O)CCCC#N 812617750 698103885 /nfs/dbraw/zinc/10/38/85/698103885.db2.gz BZNYCPIIUPIAJJ-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN C=CCCCC(=O)N1CC(C)(CC)C1 812691582 698104251 /nfs/dbraw/zinc/10/42/51/698104251.db2.gz DCWQPZNPLQZOBB-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCNC(=O)C1(CCCC)CC1 824910045 698109045 /nfs/dbraw/zinc/10/90/45/698109045.db2.gz MLFFGYJQYYMYOG-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCN(C)C(=O)/C=C(\C)CC 826094872 698109738 /nfs/dbraw/zinc/10/97/38/698109738.db2.gz ARNCRYNTOADPBL-ZHACJKMWSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCOC(=O)[C@@H]1CCC(C)=C(C)C1 829798866 698112233 /nfs/dbraw/zinc/11/22/33/698112233.db2.gz GSYRLLCQLFWZQN-LLVKDONJSA-N 0 0 194.274 2.852 10 30 AFEERN C=CCOC(=O)[C@H]1CCC(C)=C(C)C1 829798867 698112537 /nfs/dbraw/zinc/11/25/37/698112537.db2.gz GSYRLLCQLFWZQN-NSHDSACASA-N 0 0 194.274 2.852 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1CC 835266865 698114827 /nfs/dbraw/zinc/11/48/27/698114827.db2.gz DVGBBNMMXCAQRT-HBNTYKKESA-N 0 0 196.290 2.930 10 30 AFEERN C=CC(C)(C)C(=O)OCC=C(C)C 835269697 698114871 /nfs/dbraw/zinc/11/48/71/698114871.db2.gz ICNXDHYFNKLIPQ-UHFFFAOYSA-N 0 0 182.263 2.708 10 30 AFEERN CC#CCOC(=O)[C@H](CC)CC(C)C 835267848 698114896 /nfs/dbraw/zinc/11/48/96/698114896.db2.gz DFSVHFQCOWZPKM-LLVKDONJSA-N 0 0 196.290 2.625 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1CC 835266864 698114903 /nfs/dbraw/zinc/11/49/03/698114903.db2.gz DVGBBNMMXCAQRT-GMTAPVOTSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC(C)(C)C(=O)OC[C@@H](C)CC 835268749 698114932 /nfs/dbraw/zinc/11/49/32/698114932.db2.gz CNJOIGCWYPPKBQ-VIFPVBQESA-N 0 0 184.279 2.788 10 30 AFEERN C=CC(C)(C)C(=O)OC[C@H](C)CC 835268747 698114983 /nfs/dbraw/zinc/11/49/83/698114983.db2.gz CNJOIGCWYPPKBQ-SECBINFHSA-N 0 0 184.279 2.788 10 30 AFEERN CC#CCOC(=O)[C@@H](CC)CC(C)C 835267849 698115045 /nfs/dbraw/zinc/11/50/45/698115045.db2.gz DFSVHFQCOWZPKM-NSHDSACASA-N 0 0 196.290 2.625 10 30 AFEERN C=C(C)CCOC(=O)[C@@H](C)C1CCC1 838386099 698118469 /nfs/dbraw/zinc/11/84/69/698118469.db2.gz DJUWBDDWWZWJKH-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)CCOC(=O)[C@H](C)C1CCC1 838386102 698118583 /nfs/dbraw/zinc/11/85/83/698118583.db2.gz DJUWBDDWWZWJKH-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@@H](C)OC(=O)C1CC2(CCC2)C1 842767874 698120069 /nfs/dbraw/zinc/12/00/69/698120069.db2.gz AFLVGUWEJITDLC-SECBINFHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)C1CC2(CCC2)C1 842767875 698120127 /nfs/dbraw/zinc/12/01/27/698120127.db2.gz AFLVGUWEJITDLC-VIFPVBQESA-N 0 0 194.274 2.684 10 30 AFEERN C=C(C)CON=Cc1occc1C 844618446 698121202 /nfs/dbraw/zinc/12/12/02/698121202.db2.gz AOXHQARZSHLHAA-UHFFFAOYSA-N 0 0 179.219 2.515 10 30 AFEERN C=C[C@@H](C)ON=C(C)Cc1ccoc1 844620200 698121452 /nfs/dbraw/zinc/12/14/52/698121452.db2.gz HQDRQFPKYVRGCK-SNVBAGLBSA-N 0 0 193.246 2.789 10 30 AFEERN C=C[C@H](C)ON=C1CC2(CC2)C1 844619836 698121458 /nfs/dbraw/zinc/12/14/58/698121458.db2.gz DLCDZCXBEVDDDD-QMMMGPOBSA-N 0 0 165.236 2.508 10 30 AFEERN C=C[C@@H](C)ON=C1CCC[C@@H]2C[C@H]12 844620219 698121621 /nfs/dbraw/zinc/12/16/21/698121621.db2.gz ICDSWRUJSJUWKW-BBBLOLIVSA-N 0 0 179.263 2.754 10 30 AFEERN C=C[C@H](C)ON=C(C)Cc1ccoc1 844620187 698121678 /nfs/dbraw/zinc/12/16/78/698121678.db2.gz HQDRQFPKYVRGCK-JTQLQIEISA-N 0 0 193.246 2.789 10 30 AFEERN CC(C)C[C@@H](C)OC(=O)[C@@H](C)CC#N 849853227 698125661 /nfs/dbraw/zinc/12/56/61/698125661.db2.gz WBHPVFCJKDWPHE-VHSXEESVSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C[C@@H](C)OC(=O)[C@H](C)CC#N 849853216 698125776 /nfs/dbraw/zinc/12/57/76/698125776.db2.gz WBHPVFCJKDWPHE-NXEZZACHSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C[C@H](C)OC(=O)[C@@H](C)CC#N 849853223 698125803 /nfs/dbraw/zinc/12/58/03/698125803.db2.gz WBHPVFCJKDWPHE-UWVGGRQHSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C[C@H](C)OC(=O)[C@H](C)CC#N 849853246 698125853 /nfs/dbraw/zinc/12/58/53/698125853.db2.gz WBHPVFCJKDWPHE-ZJUUUORDSA-N 0 0 197.278 2.514 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850925694 698126466 /nfs/dbraw/zinc/12/64/66/698126466.db2.gz BKWBSRUGTPLPNO-VPOLOUISSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850925695 698126545 /nfs/dbraw/zinc/12/65/45/698126545.db2.gz BKWBSRUGTPLPNO-ZDCRXTMVSA-N 0 0 194.274 2.540 10 30 AFEERN CCCCNN=C1CCCC12CC2 853290989 698127878 /nfs/dbraw/zinc/12/78/78/698127878.db2.gz RVGHBFWRNLLQJS-UHFFFAOYSA-N 0 0 180.295 2.696 10 30 AFEERN CON=C1CCC(C2CCC2)CC1 853290176 698127947 /nfs/dbraw/zinc/12/79/47/698127947.db2.gz WSKJXIAYCIPZRB-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C=CCCN(C)C(=O)OCCC(C)C 859125462 698134570 /nfs/dbraw/zinc/13/45/70/698134570.db2.gz HZLVKIDEJGYOFM-UHFFFAOYSA-N 0 0 199.294 2.677 10 30 AFEERN C#CCCCC(C)=NNCCCC 863079776 698136332 /nfs/dbraw/zinc/13/63/32/698136332.db2.gz ABUKSIWMYHZHPQ-UHFFFAOYSA-N 0 0 180.295 2.556 10 30 AFEERN C#CCCCC(C)=NN[C@H](C)CC 863107573 698136636 /nfs/dbraw/zinc/13/66/36/698136636.db2.gz VMDQTABDQIRJIR-SNVBAGLBSA-N 0 0 180.295 2.554 10 30 AFEERN C#CCCCC(C)=NOCCSC 863109600 698136646 /nfs/dbraw/zinc/13/66/46/698136646.db2.gz UJTGZEKGEWAVRL-UHFFFAOYSA-N 0 0 199.319 2.545 10 30 AFEERN C#CCCCC(C)=NN[C@@H](C)CC 863107572 698136715 /nfs/dbraw/zinc/13/67/15/698136715.db2.gz VMDQTABDQIRJIR-JTQLQIEISA-N 0 0 180.295 2.554 10 30 AFEERN C1CCC(CNN=C2CC[C@@H]3C[C@H]23)C1 872373221 698141597 /nfs/dbraw/zinc/14/15/97/698141597.db2.gz ABKYGJFCBYOKME-MNOVXSKESA-N 0 0 192.306 2.552 10 30 AFEERN C=CC(C)(C)CC(=O)OCC(=C)C 884649317 698147885 /nfs/dbraw/zinc/14/78/85/698147885.db2.gz ABRIUSMZUPJWPD-UHFFFAOYSA-N 0 0 182.263 2.708 10 30 AFEERN C=CCCCN(CC)C(=O)C=C(C)C 890815866 698151696 /nfs/dbraw/zinc/15/16/96/698151696.db2.gz QLUFXVXRHWZPLN-UHFFFAOYSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCCN(CC)C(=O)C1CCC1 890816512 698151721 /nfs/dbraw/zinc/15/17/21/698151721.db2.gz XIYQBUZTJSQYHE-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)/C=C\CCC 890549054 698151749 /nfs/dbraw/zinc/15/17/49/698151749.db2.gz GAAMTQDROIRFPP-BPOWMSRESA-N 0 0 193.290 2.520 10 30 AFEERN C=CCCCN(CC)C(=O)CCC 890815407 698151774 /nfs/dbraw/zinc/15/17/74/698151774.db2.gz GDWNTINRNQKPIQ-UHFFFAOYSA-N 0 0 183.295 2.601 10 30 AFEERN C=CCCCN(CC)C(=O)CC(C)C 890815562 698151781 /nfs/dbraw/zinc/15/17/81/698151781.db2.gz JWESPNDHOOUZPA-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(CC)C(=O)CCCC 890816433 698151795 /nfs/dbraw/zinc/15/17/95/698151795.db2.gz VPWYYMADIUTFME-UHFFFAOYSA-N 0 0 197.322 2.991 10 30 AFEERN C=CCCCN(CC)C(=O)CCC=C 890814386 698151812 /nfs/dbraw/zinc/15/18/12/698151812.db2.gz RIVHGHOONHSXHE-UHFFFAOYSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCCN(CC)C(=O)C(C)(C)C 890816227 698151685 /nfs/dbraw/zinc/15/16/85/698151685.db2.gz PMPUSDZZRXUXSL-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(CC)C(=O)[C@H](C)CC 890815134 698151876 /nfs/dbraw/zinc/15/18/76/698151876.db2.gz XCOAIVRRCQDHLZ-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(CC)C(=O)[C@@H](C)CC 890815135 698151886 /nfs/dbraw/zinc/15/18/86/698151886.db2.gz XCOAIVRRCQDHLZ-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=CC[C@H]1CCN1C(=O)/C=C/CCC 890549055 698151896 /nfs/dbraw/zinc/15/18/96/698151896.db2.gz GAAMTQDROIRFPP-IOCXFXADSA-N 0 0 193.290 2.520 10 30 AFEERN C=CCCC(=O)OCc1cc(C)co1 893749209 698156258 /nfs/dbraw/zinc/15/62/58/698156258.db2.gz PBQHNXGSFRYWEJ-UHFFFAOYSA-N 0 0 194.230 2.597 10 30 AFEERN C=CCCC(=O)NC1CCC=CCC1 895212084 698159808 /nfs/dbraw/zinc/15/98/08/698159808.db2.gz UVCPALMYBKZIFT-UHFFFAOYSA-N 0 0 193.290 2.568 10 30 AFEERN C=C1CC(C)(c2noc(C(C)C)n2)C1 896910597 698161904 /nfs/dbraw/zinc/16/19/04/698161904.db2.gz QTVSOXJLLDADLS-UHFFFAOYSA-N 0 0 192.262 2.801 10 30 AFEERN C=C1CC(c2noc(C(C)C)n2)C1 896890093 698162021 /nfs/dbraw/zinc/16/20/21/698162021.db2.gz GVEOJVRTCNMMMD-UHFFFAOYSA-N 0 0 178.235 2.627 10 30 AFEERN C=C1CC(c2noc(C3CCC3)n2)C1 896890113 698162061 /nfs/dbraw/zinc/16/20/61/698162061.db2.gz HOXPRZOUGCQMGO-UHFFFAOYSA-N 0 0 190.246 2.771 10 30 AFEERN C=C1CC(C)(c2noc(C3CC3)n2)C1 896910639 698162105 /nfs/dbraw/zinc/16/21/05/698162105.db2.gz RJGKOTOQVOBSPF-UHFFFAOYSA-N 0 0 190.246 2.555 10 30 AFEERN C=CCCCN(CC)c1ncc(C)o1 897399668 698163717 /nfs/dbraw/zinc/16/37/17/698163717.db2.gz UNYPWFHHRNEWJN-UHFFFAOYSA-N 0 0 194.278 2.776 10 30 AFEERN C=CCCCN(CC)c1nccs1 897399534 698163722 /nfs/dbraw/zinc/16/37/22/698163722.db2.gz PSHXZIMCYAKHDN-UHFFFAOYSA-N 0 0 196.319 2.936 10 30 AFEERN CC(F)(F)CCCON=C1CCC1 902263907 698166181 /nfs/dbraw/zinc/16/61/81/698166181.db2.gz QVILJNNHIPSQSZ-UHFFFAOYSA-N 0 0 191.221 2.978 10 30 AFEERN C1CC(=NOC2CC3(CCC3)C2)C1 902262974 698166197 /nfs/dbraw/zinc/16/61/97/698166197.db2.gz HRMWVYCCIFEPCX-UHFFFAOYSA-N 0 0 179.263 2.876 10 30 AFEERN C1CC(=NOCC[C@@H]2C[C@H]2C2CC2)C1 902263153 698166198 /nfs/dbraw/zinc/16/61/98/698166198.db2.gz JRSAYYQMNHEDFA-PWSUYJOCSA-N 0 0 193.290 2.979 10 30 AFEERN C=CC1(CC(=O)OC)CCCCC1 909547897 698168711 /nfs/dbraw/zinc/16/87/11/698168711.db2.gz NAWAULPKZXVRSP-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CC(C)CCCOC(=O)C(C)(C)C#N 918494783 698169625 /nfs/dbraw/zinc/16/96/25/698169625.db2.gz FRPYGKBFCGTYHM-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN C=CCOC(=O)[C@H]1CC[C@H]2C[C@H]2CC1 924368896 698172579 /nfs/dbraw/zinc/17/25/79/698172579.db2.gz JEHRYZMQVMVMLE-RTCCRHLQSA-N 0 0 194.274 2.542 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@]1(C)C=CCC1 924411108 698172604 /nfs/dbraw/zinc/17/26/04/698172604.db2.gz BUHCTXCKPUCHEA-CMPLNLGQSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@]1(C)C=CCC1 924411114 698172671 /nfs/dbraw/zinc/17/26/71/698172671.db2.gz BUHCTXCKPUCHEA-ZYHUDNBSSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@]1(C)C=CCC1 924411112 698172702 /nfs/dbraw/zinc/17/27/02/698172702.db2.gz BUHCTXCKPUCHEA-PWSUYJOCSA-N 0 0 194.274 2.851 10 30 AFEERN C=CCOC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1 924368895 698172755 /nfs/dbraw/zinc/17/27/55/698172755.db2.gz JEHRYZMQVMVMLE-JGPRNRPPSA-N 0 0 194.274 2.542 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@]1(C)C=CCC1 924411110 698172763 /nfs/dbraw/zinc/17/27/63/698172763.db2.gz BUHCTXCKPUCHEA-JQWIXIFHSA-N 0 0 194.274 2.851 10 30 AFEERN CC(=O)C(C)=CNc1ccccc1 109184849 325620836 /nfs/dbraw/zinc/62/08/36/325620836.db2.gz FYUJSFHKZBYJLS-CMDGGOBGSA-N 0 0 175.231 2.591 10 30 AFEERN C=C(C)CCn1ccnc1C1CC1 530130934 325664662 /nfs/dbraw/zinc/66/46/62/325664662.db2.gz ULTHBYDCEFMWBF-UHFFFAOYSA-N 0 0 176.263 2.727 10 30 AFEERN Cc1cccc(N(CC#N)C(C)C)c1 259865126 133425064 /nfs/dbraw/zinc/42/50/64/133425064.db2.gz ARNWOMDZJAEHTJ-UHFFFAOYSA-N 0 0 188.274 2.733 10 30 AFEERN CC(C)N(CC#N)c1ccc(F)cc1 261149802 133425488 /nfs/dbraw/zinc/42/54/88/133425488.db2.gz SMOOOFLQBSVOKX-UHFFFAOYSA-N 0 0 192.237 2.564 10 30 AFEERN C=CCCC(=O)N1CCC[C@H](C)[C@H]1C 334593706 133434367 /nfs/dbraw/zinc/43/43/67/133434367.db2.gz CVHICXHKLNRWQR-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CCC[C@H](C)[C@@H]1C 334593702 133434547 /nfs/dbraw/zinc/43/45/47/133434547.db2.gz CVHICXHKLNRWQR-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN CCC1(C)CCN(C(C)(C)C#N)CC1 334676274 133434913 /nfs/dbraw/zinc/43/49/13/133434913.db2.gz IVEPAENXKPQPGA-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN C=C(C)Cn1cnc(-c2ccccc2)n1 334829270 133434956 /nfs/dbraw/zinc/43/49/56/133434956.db2.gz HPJDWAXYGTVQOI-UHFFFAOYSA-N 0 0 199.257 2.521 10 30 AFEERN CC(C)SCC1(C#N)CCC1 335005578 133435931 /nfs/dbraw/zinc/43/59/31/133435931.db2.gz HPNQHHPECANMSK-UHFFFAOYSA-N 0 0 169.293 2.822 10 30 AFEERN N#C[C@@H]1CC[C@@H](SC2CCC2)C1 335229028 133436276 /nfs/dbraw/zinc/43/62/76/133436276.db2.gz DNYPXXIZRYQSGI-PSASIEDQSA-N 0 0 181.304 2.964 10 30 AFEERN C=CCN(C)C(=O)C1CCCCCC1 336090690 133438492 /nfs/dbraw/zinc/43/84/92/133438492.db2.gz GXCWNAAVMXKIKS-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCC(=O)N1C[C@@H](C)CC[C@H]1C 336449729 133440086 /nfs/dbraw/zinc/44/00/86/133440086.db2.gz FWNBLLJQZAWXHX-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1C[C@H](C)CC[C@H]1C 336449726 133440412 /nfs/dbraw/zinc/44/04/12/133440412.db2.gz FWNBLLJQZAWXHX-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CCCC(C)(C)C1 336618206 133440940 /nfs/dbraw/zinc/44/09/40/133440940.db2.gz CDEJQCBRYOZRPH-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCC(C)(C)C(=O)N1[C@@H](C)C[C@H]1C 336583371 133441204 /nfs/dbraw/zinc/44/12/04/133441204.db2.gz DEDVMTUBENLQFC-AOOOYVTPSA-N 0 0 195.306 2.598 10 30 AFEERN C=C[C@@H](C)c1noc(C(C)(C)C)n1 307749878 136424449 /nfs/dbraw/zinc/42/44/49/136424449.db2.gz ICTYQXMOYJRJQD-SSDOTTSWSA-N 0 0 180.251 2.657 10 30 AFEERN C[C@H](C#N)N1CC=C(C(C)(C)C)CC1 335990206 136429373 /nfs/dbraw/zinc/42/93/73/136429373.db2.gz SKIXCCARVFLTRM-SNVBAGLBSA-N 0 0 192.306 2.577 10 30 AFEERN O=C(C#Cc1ccco1)c1ccccc1 15668 342924001 /nfs/dbraw/zinc/92/40/01/342924001.db2.gz SILHINRRKFCKNL-UHFFFAOYSA-N 0 0 196.205 2.514 10 30 AFEERN C=CCSc1ccc([N+](=O)[O-])cc1 1662510 342955210 /nfs/dbraw/zinc/95/52/10/342955210.db2.gz FLJSVIDOYCOBBR-UHFFFAOYSA-N 0 0 195.243 2.873 10 30 AFEERN O=C(/C=C/Cl)c1ccc(F)cc1 2013233 342966501 /nfs/dbraw/zinc/96/65/01/342966501.db2.gz HWXNHESDWWDHHS-AATRIKPKSA-N 0 0 184.597 2.761 10 30 AFEERN Cc1ccc(C(=O)/C=C/Cl)cc1 2018061 342966872 /nfs/dbraw/zinc/96/68/72/342966872.db2.gz PXDDMPVNEGCENH-VOTSOKGWSA-N 0 0 180.634 2.930 10 30 AFEERN CCC/C=N/N=C/CCC 5523226 343004306 /nfs/dbraw/zinc/00/43/06/343004306.db2.gz MREJHSSUOXPZPS-FIFLTTCUSA-N 0 0 140.230 2.643 10 30 AFEERN CC1=CC[C@@H]([C@@]2(C)CO2)CC1 5767278 343008256 /nfs/dbraw/zinc/00/82/56/343008256.db2.gz PJGRMBOWSWHGDV-NXEZZACHSA-N 0 0 152.237 2.522 10 30 AFEERN C=C(C)[C@@H]1CCC(C)(C)C(=O)[C@@H]1C#N 6022357 343011137 /nfs/dbraw/zinc/01/11/37/343011137.db2.gz AEQYOGXRKORXFQ-VHSXEESVSA-N 0 0 191.274 2.708 10 30 AFEERN C[C@H](CC=O)C1CCCCC1 6036189 343011583 /nfs/dbraw/zinc/01/15/83/343011583.db2.gz NXGJUTFZCDKORT-SECBINFHSA-N 0 0 154.253 2.792 10 30 AFEERN C[C@H]1CCCC(C)(C)[C@H]1C=O 6037500 343011971 /nfs/dbraw/zinc/01/19/71/343011971.db2.gz MPLGIGIOVUTMJA-IUCAKERBSA-N 0 0 154.253 2.648 10 30 AFEERN CCC[C@H]1O[C@@H]1c1ccccc1 5839999 343009132 /nfs/dbraw/zinc/00/91/32/343009132.db2.gz VGLOFKUDCAPVAL-GHMZBOCLSA-N 0 0 162.232 2.927 10 30 AFEERN C#CCCCCCCC[C@@H](C)O 14825688 343040310 /nfs/dbraw/zinc/04/03/10/343040310.db2.gz JABCLRYFJKECEZ-LLVKDONJSA-N 0 0 168.280 2.731 10 30 AFEERN Cc1cccc2c(C(=O)CC#N)c[nH]c12 19772455 343060462 /nfs/dbraw/zinc/06/04/62/343060462.db2.gz YQZOFIHQMLWIGW-UHFFFAOYSA-N 0 0 198.225 2.573 10 30 AFEERN CCn1ccc2ccc(C#N)cc21 20215417 343069603 /nfs/dbraw/zinc/06/96/03/343069603.db2.gz BQAHUCFMFBUOMJ-UHFFFAOYSA-N 0 0 170.215 2.533 10 30 AFEERN CC(C)Oc1ccc([C@@H]2CO2)cc1 22166281 343079784 /nfs/dbraw/zinc/07/97/84/343079784.db2.gz CSDLCRWFAMYPEB-NSHDSACASA-N 0 0 178.231 2.545 10 30 AFEERN Cc1ccc(C)c([C@H](C)C=O)c1 32006100 343095767 /nfs/dbraw/zinc/09/57/67/343095767.db2.gz GGKSIENJNRXXIV-SNVBAGLBSA-N 0 0 162.232 2.606 10 30 AFEERN Cc1cccc(C)c1NCCC#N 32006792 343095770 /nfs/dbraw/zinc/09/57/70/343095770.db2.gz UKGHEPPJGGNWBF-UHFFFAOYSA-N 0 0 174.247 2.629 10 30 AFEERN Cc1cccc(C2=CC(=O)CC2)c1 32006652 343095781 /nfs/dbraw/zinc/09/57/81/343095781.db2.gz OGYFNBQWXYEPRO-UHFFFAOYSA-N 0 0 172.227 2.741 10 30 AFEERN Cc1ccc(C)c([C@@H](C)C=O)c1 32006097 343095787 /nfs/dbraw/zinc/09/57/87/343095787.db2.gz GGKSIENJNRXXIV-JTQLQIEISA-N 0 0 162.232 2.606 10 30 AFEERN CC[C@H](C=O)c1ccc(C)cc1 32006106 343095788 /nfs/dbraw/zinc/09/57/88/343095788.db2.gz RJFBTURJHRLRTG-SNVBAGLBSA-N 0 0 162.232 2.688 10 30 AFEERN CCCNC1(C#N)CCCCCCC1 26516563 343089591 /nfs/dbraw/zinc/08/95/91/343089591.db2.gz NWRBSWWCZZWWOD-UHFFFAOYSA-N 0 0 194.322 2.993 10 30 AFEERN C=C[C@@H](C)[C@@H](O)c1ccc(OC)cc1 32175522 343099807 /nfs/dbraw/zinc/09/98/07/343099807.db2.gz QQEONWFRCYNKAA-BXKDBHETSA-N 0 0 192.258 2.551 10 30 AFEERN C=C[C@@H](C)c1ccc(OC)cc1 32189433 343100222 /nfs/dbraw/zinc/10/02/22/343100222.db2.gz FAYVYPCDXDCHCL-SECBINFHSA-N 0 0 162.232 2.985 10 30 AFEERN C=C[C@H](C)c1ccc(OC)cc1 32189432 343100242 /nfs/dbraw/zinc/10/02/42/343100242.db2.gz FAYVYPCDXDCHCL-VIFPVBQESA-N 0 0 162.232 2.985 10 30 AFEERN C[C@H](CC#N)Nc1ccc(F)cc1 32007090 343096173 /nfs/dbraw/zinc/09/61/73/343096173.db2.gz YAYZFAZUSNBJLK-MRVPVSSYSA-N 0 0 178.210 2.540 10 30 AFEERN Cc1cc(C)cc(NC[C@H](C)C#N)c1 32008144 343096542 /nfs/dbraw/zinc/09/65/42/343096542.db2.gz PDTYROJHQOZYAA-LLVKDONJSA-N 0 0 188.274 2.875 10 30 AFEERN CCc1ccc(-c2cc(C#N)no2)cc1 32009627 343097152 /nfs/dbraw/zinc/09/71/52/343097152.db2.gz DOTNXFJVOGCRHC-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN C=C(C)[C@H]1CC(=O)C(C)=C(C)C1 34115435 343110890 /nfs/dbraw/zinc/11/08/90/343110890.db2.gz CNIGYRRBFLTZNO-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 in-vitro AFEERN CCC1=CC(C)(C)CCC1=O 34122831 343111363 /nfs/dbraw/zinc/11/13/63/343111363.db2.gz GTSDVFVMNXARHM-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)(C)/N=C/c1cccc(O)c1 34189500 343112746 /nfs/dbraw/zinc/11/27/46/343112746.db2.gz JDVPRWIPJKRYLC-XYOKQWHBSA-N 0 0 177.247 2.610 10 30 AFEERN N#CC[C@@H](O)c1ccc2ccccc2c1 34183853 343112832 /nfs/dbraw/zinc/11/28/32/343112832.db2.gz MHUBDEWQYBFREA-CYBMUJFWSA-N 0 0 197.237 2.787 10 30 AFEERN CCC(=O)C=C(CC)CC 34263237 343114895 /nfs/dbraw/zinc/11/48/95/343114895.db2.gz XVKRTNZGYNJYQX-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN Cc1ccccc1SCCC=O 34306983 343116377 /nfs/dbraw/zinc/11/63/77/343116377.db2.gz QDPAYJLQJSJXFU-UHFFFAOYSA-N 0 0 180.272 2.676 10 30 AFEERN Cc1ncccc1-c1ccc(C#N)cc1 34426589 343118850 /nfs/dbraw/zinc/11/88/50/343118850.db2.gz NUFPNMBMQWXIDA-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CC(C)C(=O)/C=C/C(C)(C)C 34427959 343118908 /nfs/dbraw/zinc/11/89/08/343118908.db2.gz LJFXVPJMPFJFBU-VOTSOKGWSA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@@H](OC(=O)OC)c1ccccc1 34596957 343123214 /nfs/dbraw/zinc/12/32/14/343123214.db2.gz IGJCFANLTFTISG-SNVBAGLBSA-N 0 0 192.214 2.697 10 30 AFEERN COc1ccc(C(=O)C=C(C)C)s1 34616405 343123374 /nfs/dbraw/zinc/12/33/74/343123374.db2.gz GBINEDPYVOHUDU-UHFFFAOYSA-N 0 0 196.271 2.906 10 30 AFEERN CC1(C)Cc2ccc(C#N)cc2[C@H]2O[C@H]21 34723718 343124433 /nfs/dbraw/zinc/12/44/33/343124433.db2.gz VLLKUPAQOUNPGB-VXGBXAGGSA-N 0 0 199.253 2.580 10 30 AFEERN CC1(C)Cc2ccc(C#N)cc2[C@@H]2O[C@@H]21 34723715 343124452 /nfs/dbraw/zinc/12/44/52/343124452.db2.gz VLLKUPAQOUNPGB-RYUDHWBXSA-N 0 0 199.253 2.580 10 30 AFEERN CC(C)(C=O)/C=C/c1ccccc1 34732858 343124471 /nfs/dbraw/zinc/12/44/71/343124471.db2.gz SDGGKNDHYZNGSJ-CMDGGOBGSA-N 0 0 174.243 2.925 10 30 AFEERN CC(=O)/C(C)=C/c1ccc(F)cc1 34762326 343124754 /nfs/dbraw/zinc/12/47/54/343124754.db2.gz NZSTUIMDFGLESD-BQYQJAHWSA-N 0 0 178.206 2.818 10 30 AFEERN C[C@H]1CC=CC[C@@H]1COCCC#N 34958456 343126250 /nfs/dbraw/zinc/12/62/50/343126250.db2.gz IXYYHKNPGWPCFF-WDEREUQCSA-N 0 0 179.263 2.519 10 30 AFEERN CC1(C)C[C@@H]2O[C@@H]2c2ccccc21 34963776 343126764 /nfs/dbraw/zinc/12/67/64/343126764.db2.gz SQFWJPCNZUITHF-WDEREUQCSA-N 0 0 174.243 2.808 10 30 AFEERN C[C@H](C#N)C(=O)CC1CCCCC1 34975732 343126768 /nfs/dbraw/zinc/12/67/68/343126768.db2.gz ALGYCZNXOOXVOH-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN CCc1ccc(CCC#N)cc1 36203733 343141696 /nfs/dbraw/zinc/14/16/96/343141696.db2.gz ZMRLGPDUXYKFNW-UHFFFAOYSA-N 0 0 159.232 2.705 10 30 AFEERN C=CCCC(=O)c1ccc(C#N)cc1 36372636 343144532 /nfs/dbraw/zinc/14/45/32/343144532.db2.gz LSIORUHQNSYRTG-UHFFFAOYSA-N 0 0 185.226 2.707 10 30 AFEERN C=C(C)[C@@H](C)C(=O)C(C)(C)C 36455768 343146105 /nfs/dbraw/zinc/14/61/05/343146105.db2.gz BBWANVSATBDGOP-MRVPVSSYSA-N 0 0 154.253 2.814 10 30 AFEERN C[C@@H]1CCC[C@@H](C#N)[C@@H]1C 36469011 343146378 /nfs/dbraw/zinc/14/63/78/343146378.db2.gz WHZGICUYVOAGRF-HLTSFMKQSA-N 0 0 137.226 2.582 10 30 AFEERN Cc1cccc([C@H](C)NCCC#N)c1 37240256 343163750 /nfs/dbraw/zinc/16/37/50/343163750.db2.gz ZHGGGJBJKVGMOV-NSHDSACASA-N 0 0 188.274 2.559 10 30 AFEERN C[C@H]1CCC[C@](C#N)(N2CCCC2)C1 37355624 343165797 /nfs/dbraw/zinc/16/57/97/343165797.db2.gz GIABHHBQTFGMNI-RYUDHWBXSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@H]1CCC[C@@](C#N)(N2CCCC2)C1 37355622 343165862 /nfs/dbraw/zinc/16/58/62/343165862.db2.gz GIABHHBQTFGMNI-NWDGAFQWSA-N 0 0 192.306 2.555 10 30 AFEERN Cc1ccc(N[C@@H](C)CC#N)cc1F 37871263 343179458 /nfs/dbraw/zinc/17/94/58/343179458.db2.gz QJTNYPKZCQOCFM-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN Cc1ccc(N[C@H](C)CC#N)cc1F 37871264 343179483 /nfs/dbraw/zinc/17/94/83/343179483.db2.gz QJTNYPKZCQOCFM-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN C[C@H](C#N)Nc1ccc(Cl)cc1 37936124 343182471 /nfs/dbraw/zinc/18/24/71/343182471.db2.gz CPVVCMJTNOXQBI-SSDOTTSWSA-N 0 0 180.638 2.664 10 30 AFEERN CC[C@H](C#N)Nc1ccccc1F 37938994 343182531 /nfs/dbraw/zinc/18/25/31/343182531.db2.gz HPPFALYYCCIZNA-MRVPVSSYSA-N 0 0 178.210 2.540 10 30 AFEERN CC(C)[C@](C)(C#N)NC1CCCCC1 37969254 343182899 /nfs/dbraw/zinc/18/28/99/343182899.db2.gz NRKSFSGFKHMPEP-LBPRGKRZSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)[C@@](C)(C#N)NC1CCCCC1 37969253 343182932 /nfs/dbraw/zinc/18/29/32/343182932.db2.gz NRKSFSGFKHMPEP-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN Cc1cc(C#N)ccc1NC(C)C 37996167 343182944 /nfs/dbraw/zinc/18/29/44/343182944.db2.gz AJSQWZHIANVXGA-UHFFFAOYSA-N 0 0 174.247 2.687 10 30 AFEERN C[C@H](NCC#N)c1cccc(Cl)c1 37980630 343182952 /nfs/dbraw/zinc/18/29/52/343182952.db2.gz CJBYDOOMPROKLX-QMMMGPOBSA-N 0 0 194.665 2.514 10 30 AFEERN CC[C@H](C)N[C@@]1(C#N)CCC[C@H](C)C1 38064275 343184138 /nfs/dbraw/zinc/18/41/38/343184138.db2.gz QBXAHTMACAZSRU-SRVKXCTJSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)NC1(C#N)CCC(C)CC1 38064569 343184144 /nfs/dbraw/zinc/18/41/44/343184144.db2.gz VKKGOZRVIJVYPM-CXQJBGSLSA-N 0 0 194.322 2.847 10 30 AFEERN CCCCC1=CCCCC1=O 38362915 343187813 /nfs/dbraw/zinc/18/78/13/343187813.db2.gz SJDUBHUSYWCGAU-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CCCC[C@@H](C)CCC=O 38391907 343188357 /nfs/dbraw/zinc/18/83/57/343188357.db2.gz GRRNPXSTCFOUCZ-SECBINFHSA-N 0 0 142.242 2.792 10 30 AFEERN C/C=C/C(=O)c1ccccc1C 38220353 343185710 /nfs/dbraw/zinc/18/57/10/343185710.db2.gz KOHNRVDSSHVWHH-ZZXKWVIFSA-N 0 0 160.216 2.754 10 30 AFEERN C[C@@H](/C=C/c1ccccc1)CC=O 38246860 343186063 /nfs/dbraw/zinc/18/60/63/343186063.db2.gz LTWPHCAKOQQEBY-AEZGRPFRSA-N 0 0 174.243 2.925 10 30 AFEERN C=CCC1=C(C=C)CCC[C@@H]1O 38234146 343186071 /nfs/dbraw/zinc/18/60/71/343186071.db2.gz NTGAJWDWAUMYNR-NSHDSACASA-N 0 0 164.248 2.590 10 30 AFEERN CC(C)CN=Nc1ccccc1 38823826 343191095 /nfs/dbraw/zinc/19/10/95/343191095.db2.gz JRPJYFGSRTYOBF-DHZHZOJOSA-N 0 0 162.236 2.740 10 30 AFEERN C=C(C)c1cccc(C#N)c1 38881488 343191510 /nfs/dbraw/zinc/19/15/10/343191510.db2.gz JJSRJDTZPZCVFQ-UHFFFAOYSA-N 0 0 143.189 2.591 10 30 AFEERN C=C(C(=O)OC)[C@H](C)c1ccccc1 38881572 343191525 /nfs/dbraw/zinc/19/15/25/343191525.db2.gz QHZWUWLGWBJGSD-VIFPVBQESA-N 0 0 190.242 2.519 10 30 AFEERN C=C(C(=O)OC)[C@@H](C)c1ccccc1 38881569 343191527 /nfs/dbraw/zinc/19/15/27/343191527.db2.gz QHZWUWLGWBJGSD-SECBINFHSA-N 0 0 190.242 2.519 10 30 AFEERN C=CC[C@@H](OCOC)c1ccccc1 38866524 343191571 /nfs/dbraw/zinc/19/15/71/343191571.db2.gz PFVXQPVTIHZXHJ-GFCCVEGCSA-N 0 0 192.258 2.924 10 30 AFEERN Cc1ccc([C@H]2CC(=O)C=CO2)cc1 38973737 343192654 /nfs/dbraw/zinc/19/26/54/343192654.db2.gz YJGHLPFFDKDTOU-GFCCVEGCSA-N 0 0 188.226 2.539 10 30 AFEERN C=C[C@H](C)Nc1ccc(C)cc1 38973106 343192681 /nfs/dbraw/zinc/19/26/81/343192681.db2.gz UUAKZCYBLBLYHY-JTQLQIEISA-N 0 0 161.248 2.981 10 30 AFEERN CC(C)(C)/C=N/[S@](=O)C(C)(C)C 39039050 343193452 /nfs/dbraw/zinc/19/34/52/343193452.db2.gz KSDPTRLKNUQIOO-PMDBQALLSA-N 0 0 189.324 2.566 10 30 AFEERN C=CC[C@@H](C=O)CCCC 39278653 343209795 /nfs/dbraw/zinc/20/97/95/343209795.db2.gz WETZKCYDNJTUEU-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCOC/C=C/c1ccccc1 39246838 343208105 /nfs/dbraw/zinc/20/81/05/343208105.db2.gz IZNRZXFFOMHZQY-RMKNXTFCSA-N 0 0 174.243 2.902 10 30 AFEERN C#C[C@@H](O)c1cccc2ccccc12 39260475 343208942 /nfs/dbraw/zinc/20/89/42/343208942.db2.gz YQFFHWHTTIHIHA-CYBMUJFWSA-N 0 0 182.222 2.506 10 30 AFEERN CC(=O)/C=C/[C@H]1CCCC[C@H]1C 39348909 343211150 /nfs/dbraw/zinc/21/11/50/343211150.db2.gz SGYFIJBSSQKXLE-FQZVFUSHSA-N 0 0 166.264 2.958 10 30 AFEERN C(#C[C@@H]1CCCS1)c1ccccc1 39377269 343211651 /nfs/dbraw/zinc/21/16/51/343211651.db2.gz VBCGUTYLZKUABO-LBPRGKRZSA-N 0 0 188.295 2.934 10 30 AFEERN CCc1c(C)nn([C@H](C)CC#N)c1C 40732587 343222875 /nfs/dbraw/zinc/22/28/75/343222875.db2.gz DYCIAUQGDBZMNX-MRVPVSSYSA-N 0 0 191.278 2.537 10 30 AFEERN Cc1ccc(N[C@@H](C#N)C(C)C)cc1 41049456 343226958 /nfs/dbraw/zinc/22/69/58/343226958.db2.gz QHOVTNRLQPNVMN-LBPRGKRZSA-N 0 0 188.274 2.955 10 30 AFEERN CC(C)[C@@H](C#N)Nc1cccc(F)c1 41049464 343226959 /nfs/dbraw/zinc/22/69/59/343226959.db2.gz MWCVKCCIMXJZKB-LLVKDONJSA-N 0 0 192.237 2.786 10 30 AFEERN C=C(C)CSC(C)C 41363985 343233717 /nfs/dbraw/zinc/23/37/17/343233717.db2.gz LZIOZRRUYNYXBE-UHFFFAOYSA-N 0 0 130.256 2.704 10 30 AFEERN Cc1ccc2c(c1)[C@H](C#N)CCC2 41168452 343231078 /nfs/dbraw/zinc/23/10/78/343231078.db2.gz FVWIBRSAZCPNTD-NSHDSACASA-N 0 0 171.243 2.939 10 30 AFEERN Cc1ccc2oc(C(=O)CC#N)cc2c1 42893726 343250254 /nfs/dbraw/zinc/25/02/54/343250254.db2.gz OVCYCQZMPJEOMY-UHFFFAOYSA-N 0 0 199.209 2.838 10 30 AFEERN CCc1cccc(N[C@@H](C)C#N)c1 43514521 343253048 /nfs/dbraw/zinc/25/30/48/343253048.db2.gz VEOAIVWKDJDOMT-VIFPVBQESA-N 0 0 174.247 2.573 10 30 AFEERN CCc1cccc(N[C@H](C)C#N)c1 43514522 343253341 /nfs/dbraw/zinc/25/33/41/343253341.db2.gz VEOAIVWKDJDOMT-SECBINFHSA-N 0 0 174.247 2.573 10 30 AFEERN CCc1c(C)nn([C@H](C#N)CC)c1C 43556903 343255867 /nfs/dbraw/zinc/25/58/67/343255867.db2.gz FLTORAQJGRWOFP-JTQLQIEISA-N 0 0 191.278 2.537 10 30 AFEERN C=CC[C@H]1CCCCCC1=O 43650032 343258169 /nfs/dbraw/zinc/25/81/69/343258169.db2.gz KKUWEFZPJVESAD-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C#CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O 43661193 343258811 /nfs/dbraw/zinc/25/88/11/343258811.db2.gz ZEJWDFWIMNEXFP-WOPDTQHZSA-N 0 0 194.318 2.833 10 30 AFEERN C#CC[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O 43661195 343258813 /nfs/dbraw/zinc/25/88/13/343258813.db2.gz ZEJWDFWIMNEXFP-GRYCIOLGSA-N 0 0 194.318 2.833 10 30 AFEERN C#CC[C@@H]1C[C@H](CCC)CC[C@H]1O 43660984 343258824 /nfs/dbraw/zinc/25/88/24/343258824.db2.gz OWJUTWNXCHANCN-IJLUTSLNSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@@H]1C[C@@H](CCC)CC[C@@H]1O 43660983 343258977 /nfs/dbraw/zinc/25/89/77/343258977.db2.gz OWJUTWNXCHANCN-TUAOUCFPSA-N 0 0 180.291 2.587 10 30 AFEERN CCc1cccc(N[C@H](C#N)CC)c1 43539340 343254715 /nfs/dbraw/zinc/25/47/15/343254715.db2.gz RLUVMZLMDJSIEE-NSHDSACASA-N 0 0 188.274 2.963 10 30 AFEERN CCc1cccc(N[C@@H](C#N)CC)c1 43539341 343254799 /nfs/dbraw/zinc/25/47/99/343254799.db2.gz RLUVMZLMDJSIEE-LLVKDONJSA-N 0 0 188.274 2.963 10 30 AFEERN CC[C@@H](C#N)N1CCCC[C@H]1CC 43556235 343255048 /nfs/dbraw/zinc/25/50/48/343255048.db2.gz YITPJRZJFARHOP-MNOVXSKESA-N 0 0 180.295 2.553 10 30 AFEERN Cc1cc(Cl)c(CC#N)cc1F 44369088 343263987 /nfs/dbraw/zinc/26/39/87/343263987.db2.gz GZCJQYCKJJBWTD-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN Cc1ccc(Cl)c(CC#N)c1 44369026 343264001 /nfs/dbraw/zinc/26/40/01/343264001.db2.gz PAOLZQLSERFPFK-UHFFFAOYSA-N 0 0 165.623 2.715 10 30 AFEERN Cc1ccc(CC#N)c(C)c1F 44369035 343264034 /nfs/dbraw/zinc/26/40/34/343264034.db2.gz WFZWHXJOMXUCJE-UHFFFAOYSA-N 0 0 163.195 2.509 10 30 AFEERN N#Cc1ccc(N)cc1-c1ccccc1 47203530 343273146 /nfs/dbraw/zinc/27/31/46/343273146.db2.gz UBZMQCVJRZKVNK-UHFFFAOYSA-N 0 0 194.237 2.807 10 30 AFEERN N#Cc1ccncc1-c1ccc(F)cc1 47203952 343273153 /nfs/dbraw/zinc/27/31/53/343273153.db2.gz ZXQNTQCHYDPGMN-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN Cc1cc(C)c(N(C)CC#N)c(C)c1 49806320 343276915 /nfs/dbraw/zinc/27/69/15/343276915.db2.gz QMAXBZDRNPYPSE-UHFFFAOYSA-N 0 0 188.274 2.572 10 30 AFEERN C=C[C@@H](C)Oc1cccc(C#N)c1 52142195 343301333 /nfs/dbraw/zinc/30/13/33/343301333.db2.gz TVESXPWYORKHOU-SECBINFHSA-N 0 0 173.215 2.512 10 30 AFEERN C/C=C/C(=O)c1cc(F)ccc1C 52138448 343301349 /nfs/dbraw/zinc/30/13/49/343301349.db2.gz YRHQBAAIEJDCJK-ONEGZZNKSA-N 0 0 178.206 2.893 10 30 AFEERN C=C[C@H](C)[C@H]1Cc2ccccc2C1=O 52143368 343301351 /nfs/dbraw/zinc/30/13/51/343301351.db2.gz BGUYCZDSTLYQRN-JOYOIKCWSA-N 0 0 186.254 2.864 10 30 AFEERN C[C@@H](C#N)N(C)C1CCCCCC1 52684718 343306637 /nfs/dbraw/zinc/30/66/37/343306637.db2.gz TUYUMADSHPXAPX-JTQLQIEISA-N 0 0 180.295 2.553 10 30 AFEERN CCN(C)c1cccc(Cl)c1C#N 52908711 343312093 /nfs/dbraw/zinc/31/20/93/343312093.db2.gz YCGAQPWMQPNLGP-UHFFFAOYSA-N 0 0 194.665 2.668 10 30 AFEERN CC(C)(C)[C@H]1CCCC[C@@]12CO2 55027003 343332932 /nfs/dbraw/zinc/33/29/32/343332932.db2.gz JVCGSDGFPFAZLF-MWLCHTKSSA-N 0 0 168.280 2.992 10 30 AFEERN CC(C)(C)[C@H]1CCCC[C@]12CO2 55027007 343332940 /nfs/dbraw/zinc/33/29/40/343332940.db2.gz JVCGSDGFPFAZLF-KOLCDFICSA-N 0 0 168.280 2.992 10 30 AFEERN CC[C@@H](C)C[C@]1(CC)CO1 55027116 343332944 /nfs/dbraw/zinc/33/29/44/343332944.db2.gz BBBXJJMYDSLSNW-RKDXNWHRSA-N 0 0 142.242 2.602 10 30 AFEERN CC(C)(C)[C@@H]1CCCC[C@@]12CO2 55027000 343332949 /nfs/dbraw/zinc/33/29/49/343332949.db2.gz JVCGSDGFPFAZLF-GXSJLCMTSA-N 0 0 168.280 2.992 10 30 AFEERN CC[C@@H](C)C[C@@]1(CC)CO1 55027120 343332959 /nfs/dbraw/zinc/33/29/59/343332959.db2.gz BBBXJJMYDSLSNW-BDAKNGLRSA-N 0 0 142.242 2.602 10 30 AFEERN CC(C)(C)[C@@H]1CCCC[C@]12CO2 55027004 343332960 /nfs/dbraw/zinc/33/29/60/343332960.db2.gz JVCGSDGFPFAZLF-ONGXEEELSA-N 0 0 168.280 2.992 10 30 AFEERN CC[C@H](C)C[C@@]1(CC)CO1 55027122 343332963 /nfs/dbraw/zinc/33/29/63/343332963.db2.gz BBBXJJMYDSLSNW-IUCAKERBSA-N 0 0 142.242 2.602 10 30 AFEERN CC[C@H](C)C[C@]1(CC)CO1 55027118 343332993 /nfs/dbraw/zinc/33/29/93/343332993.db2.gz BBBXJJMYDSLSNW-DTWKUNHWSA-N 0 0 142.242 2.602 10 30 AFEERN CCCC1CCC2(CC1)CO2 55027078 343333004 /nfs/dbraw/zinc/33/30/04/343333004.db2.gz KQIGRKHYMPVXAA-UHFFFAOYSA-N 0 0 154.253 2.746 10 30 AFEERN CC(C)C[C@@]1(c2ccccc2)CO1 55032507 343333304 /nfs/dbraw/zinc/33/33/04/343333304.db2.gz QFQJWAAZNFCLQJ-LBPRGKRZSA-N 0 0 176.259 2.958 10 30 AFEERN N#CCCSCc1ccccc1F 58256536 343338896 /nfs/dbraw/zinc/33/88/96/343338896.db2.gz ASPYGBMSQCAGSH-UHFFFAOYSA-N 0 0 195.262 2.973 10 30 AFEERN CC(=O)/C=C1/CCc2ccccc21 59408144 343344511 /nfs/dbraw/zinc/34/45/11/343344511.db2.gz CIPVWGDZAPKBGQ-FLIBITNWSA-N 0 0 172.227 2.605 10 30 AFEERN N#CCCc1cc(F)ccc1Cl 59614592 343346199 /nfs/dbraw/zinc/34/61/99/343346199.db2.gz OJFGNAXYHDBYFW-UHFFFAOYSA-N 0 0 183.613 2.935 10 30 AFEERN O=C(/C=C/Cl)C1CC2(CCC2)C1 59880310 343348380 /nfs/dbraw/zinc/34/83/80/343348380.db2.gz RDDOTINHBRWOCE-GORDUTHDSA-N 0 0 184.666 2.888 10 30 AFEERN O=CCCc1ccc(Cl)s1 60710438 343353902 /nfs/dbraw/zinc/35/39/02/343353902.db2.gz SZYXCSAGLXGJQW-UHFFFAOYSA-N 0 0 174.652 2.533 10 30 AFEERN CCC(C)(C)Nc1ccnc(C#N)c1 61814759 343363953 /nfs/dbraw/zinc/36/39/53/343363953.db2.gz JQPQOGSSQMPMCH-UHFFFAOYSA-N 0 0 189.262 2.554 10 30 AFEERN C#Cc1cccc(C(C)C)c1 62605392 343376691 /nfs/dbraw/zinc/37/66/91/343376691.db2.gz MPHWKUPDZYACTI-UHFFFAOYSA-N 0 0 144.217 2.791 10 30 AFEERN Cc1ccsc1[C@@H]1CC(=O)C=CO1 69850412 343448003 /nfs/dbraw/zinc/44/80/03/343448003.db2.gz XRJZMAJWMPTQDI-VIFPVBQESA-N 0 0 194.255 2.601 10 30 AFEERN Cc1ccc([C@H]2CC(=O)C=CO2)s1 69850304 343448033 /nfs/dbraw/zinc/44/80/33/343448033.db2.gz QVAOFVWOIBZMNR-SECBINFHSA-N 0 0 194.255 2.601 10 30 AFEERN Cc1ccc([C@@H]2CC(=O)C=CO2)s1 69850303 343448055 /nfs/dbraw/zinc/44/80/55/343448055.db2.gz QVAOFVWOIBZMNR-VIFPVBQESA-N 0 0 194.255 2.601 10 30 AFEERN C[C@]1(C2CCCCC2)CC(=O)C=CO1 69852290 343449171 /nfs/dbraw/zinc/44/91/71/343449171.db2.gz WWSILTHWYGFGHR-GFCCVEGCSA-N 0 0 194.274 2.829 10 30 AFEERN O=C1C=COC2(CCCCCC2)C1 69852401 343449192 /nfs/dbraw/zinc/44/91/92/343449192.db2.gz CSOHINQIFFIFFK-UHFFFAOYSA-N 0 0 180.247 2.583 10 30 AFEERN C[C@@]1(C2CCCCC2)CC(=O)C=CO1 69852291 343449200 /nfs/dbraw/zinc/44/92/00/343449200.db2.gz WWSILTHWYGFGHR-LBPRGKRZSA-N 0 0 194.274 2.829 10 30 AFEERN CC[C@@H]1CCC[C@@]2(CC(=O)C=CO2)C1 70563882 343492408 /nfs/dbraw/zinc/49/24/08/343492408.db2.gz GJIVMTGVVLIXGH-PWSUYJOCSA-N 0 0 194.274 2.829 10 30 AFEERN CC[C@@H]1CCC[C@@H](O[C@@H](C)C#N)C1 70564472 343492425 /nfs/dbraw/zinc/49/24/25/343492425.db2.gz AGUOOQFTCSBQGX-HBNTYKKESA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@@H]1CCC[C@]2(CC(=O)C=CO2)C1 70563880 343492451 /nfs/dbraw/zinc/49/24/51/343492451.db2.gz GJIVMTGVVLIXGH-ZYHUDNBSSA-N 0 0 194.274 2.829 10 30 AFEERN C=CCC[C@@H](O)c1ccccc1C 70593719 343499419 /nfs/dbraw/zinc/49/94/19/343499419.db2.gz JKHFGPIIELVJAH-GFCCVEGCSA-N 0 0 176.259 2.995 10 30 AFEERN CC1(C)CCC[C@@](C#N)(NC2CC2)C1 70629104 343508693 /nfs/dbraw/zinc/50/86/93/343508693.db2.gz NNEPMKGYUSDCRN-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN CCCN[C@]1(C#N)CCCC(C)(C)C1 70629100 343508921 /nfs/dbraw/zinc/50/89/21/343508921.db2.gz LJZSZPHTMNTATF-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN C#CCC[C@@H]1CCCCC(=O)C1 70740355 343528057 /nfs/dbraw/zinc/52/80/57/343528057.db2.gz QQJXSUSGGSGJSY-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN CC#CC[C@H]1CCCCC(=O)C1 70740276 343528059 /nfs/dbraw/zinc/52/80/59/343528059.db2.gz PTJZYZWDDIULCF-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN CC#CC[C@@H]1CCCCC(=O)C1 70740274 343528066 /nfs/dbraw/zinc/52/80/66/343528066.db2.gz PTJZYZWDDIULCF-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN C#CCC[C@H]1CCCCC(=O)C1 70740357 343528067 /nfs/dbraw/zinc/52/80/67/343528067.db2.gz QQJXSUSGGSGJSY-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN C=CC[C@H]1CCCC[C@@H](O)C1 70776103 343531647 /nfs/dbraw/zinc/53/16/47/343531647.db2.gz YPSYVCPQVJCSAT-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC[C@H]1CCCC[C@H](O)C1 70776097 343531653 /nfs/dbraw/zinc/53/16/53/343531653.db2.gz YPSYVCPQVJCSAT-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC[C@@H]1CCCC[C@H](O)C1 70776093 343531658 /nfs/dbraw/zinc/53/16/58/343531658.db2.gz YPSYVCPQVJCSAT-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC[C@@H]1CCC[C@H](O)C1 70774754 343531668 /nfs/dbraw/zinc/53/16/68/343531668.db2.gz WICZAZFCWYTYIK-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN C[C@@H]1C[C@H]1Nc1ccc(F)cc1C#N 82516503 343605984 /nfs/dbraw/zinc/60/59/84/343605984.db2.gz QLSQLNGEUTXNQP-RDDDGLTNSA-N 0 0 190.221 2.518 10 30 AFEERN CCCSCc1ccnc(C#N)c1 82668873 343609727 /nfs/dbraw/zinc/60/97/27/343609727.db2.gz ORRSZKVTUYUDCA-UHFFFAOYSA-N 0 0 192.287 2.596 10 30 AFEERN CC[C@H](C=O)C[C@H](C)CC 84324877 343634144 /nfs/dbraw/zinc/63/41/44/343634144.db2.gz QSRGAHQDGULVLG-BDAKNGLRSA-N 0 0 142.242 2.648 10 30 AFEERN N#C[C@H](Cc1ccccc1)C1CC1 84332051 343634716 /nfs/dbraw/zinc/63/47/16/343634716.db2.gz FYAUEAIKXMDFOE-LBPRGKRZSA-N 0 0 171.243 2.779 10 30 AFEERN CC#CCOc1cc(C)ccc1C 85502268 343644695 /nfs/dbraw/zinc/64/46/95/343644695.db2.gz AVTSUECLTCIGRP-UHFFFAOYSA-N 0 0 174.243 2.706 10 30 AFEERN C=C(C)C[C@@H](O)c1ccccc1C 86059795 343649478 /nfs/dbraw/zinc/64/94/78/343649478.db2.gz SWYBVUFSFAGIFL-GFCCVEGCSA-N 0 0 176.259 2.995 10 30 AFEERN C=C(C)[C@@](O)(CC)c1ccccc1 86018390 343649480 /nfs/dbraw/zinc/64/94/80/343649480.db2.gz GWBLZKQNOGWWQC-LBPRGKRZSA-N 0 0 176.259 2.860 10 30 AFEERN CC(C)Cc1ccc(/C=N/O)cc1 87317169 343659915 /nfs/dbraw/zinc/65/99/15/343659915.db2.gz GPFYAOYMYDOSGP-XYOKQWHBSA-N 0 0 177.247 2.693 10 30 AFEERN CCCC#Cc1ccc(F)cc1 90415914 343675749 /nfs/dbraw/zinc/67/57/49/343675749.db2.gz PMDSAWFBRSSBBR-UHFFFAOYSA-N 0 0 162.207 2.977 10 30 AFEERN CCC(=O)/C=C/c1ccc(F)cc1 90412397 343675752 /nfs/dbraw/zinc/67/57/52/343675752.db2.gz PBMQSVQMQKLVSD-VMPITWQZSA-N 0 0 178.206 2.818 10 30 AFEERN Cc1cc(C)cc([C@H](C)C=O)c1 107159828 343745436 /nfs/dbraw/zinc/74/54/36/343745436.db2.gz LYDDJPHNCOMYTR-SNVBAGLBSA-N 0 0 162.232 2.606 10 30 AFEERN COc1ccc(/C(C)=C\C(C)=O)cc1 110477654 343753785 /nfs/dbraw/zinc/75/37/85/343753785.db2.gz HFUPMRKRTANEQU-HJWRWDBZSA-N 0 0 190.242 2.688 10 30 AFEERN C=CC[C@H]1C=CCC1 111332040 343754213 /nfs/dbraw/zinc/75/42/13/343754213.db2.gz VWGHETFSGHHDRB-QMMMGPOBSA-N 0 0 108.184 2.529 10 30 AFEERN C=C[C@H](CC)C(C)C 111346548 343754221 /nfs/dbraw/zinc/75/42/21/343754221.db2.gz DTNALCAUPPLROB-MRVPVSSYSA-N 0 0 112.216 2.855 10 30 AFEERN C=C[C@@H](O)c1c(C)oc2ccccc12 126929002 343800480 /nfs/dbraw/zinc/80/04/80/343800480.db2.gz NNOTWJIXYRXRSR-SNVBAGLBSA-N 0 0 188.226 2.961 10 30 AFEERN C=C[C@H](O)c1c(C)oc2ccccc12 126929224 343800506 /nfs/dbraw/zinc/80/05/06/343800506.db2.gz NNOTWJIXYRXRSR-JTQLQIEISA-N 0 0 188.226 2.961 10 30 AFEERN C#CC[C@H](CC)Nc1ccc(C)cn1 127216907 343807335 /nfs/dbraw/zinc/80/73/35/343807335.db2.gz XYILOSNMVOAIHQ-NSHDSACASA-N 0 0 188.274 2.604 10 30 AFEERN C#CC[C@@H](CC)Nc1ccc(C)cn1 127217122 343807351 /nfs/dbraw/zinc/80/73/51/343807351.db2.gz XYILOSNMVOAIHQ-LLVKDONJSA-N 0 0 188.274 2.604 10 30 AFEERN C=CCC(=O)c1cncc2ccccc12 128150381 343825889 /nfs/dbraw/zinc/82/58/89/343825889.db2.gz DXOHMFAFZHAIEO-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN C=CC[C@@H](O)CCc1ccsc1 128259730 343827875 /nfs/dbraw/zinc/82/78/75/343827875.db2.gz ZERUOSZUPQAPMF-SNVBAGLBSA-N 0 0 182.288 2.618 10 30 AFEERN Cc1ccc2c(c1)[C@@](Cl)(C#N)CC2 129426458 343849934 /nfs/dbraw/zinc/84/99/34/343849934.db2.gz HBLVNAHVRDPCPA-NSHDSACASA-N 0 0 191.661 2.899 10 30 AFEERN N#C[C@H](c1ccccn1)C1CCCC1 129598687 343853760 /nfs/dbraw/zinc/85/37/60/343853760.db2.gz SCITVNVNJSTDIT-NSHDSACASA-N 0 0 186.258 2.879 10 30 AFEERN N#C[C@H](c1ccncc1)C1CCCC1 129599671 343853786 /nfs/dbraw/zinc/85/37/86/343853786.db2.gz SXBLUEYLAPGJDY-LBPRGKRZSA-N 0 0 186.258 2.879 10 30 AFEERN CCS[C@H](C#N)C1CCCC1 129591363 343853800 /nfs/dbraw/zinc/85/38/00/343853800.db2.gz NBHLDOZDMSOHAK-SECBINFHSA-N 0 0 169.293 2.822 10 30 AFEERN C#CC[C@H](C)Nc1nc(C)c(C)s1 130614698 343870932 /nfs/dbraw/zinc/87/09/32/343870932.db2.gz OAXIKAFBUXFBJM-ZETCQYMHSA-N 0 0 194.303 2.584 10 30 AFEERN COc1cc(C(F)(F)C#N)ccc1C 131730774 343887849 /nfs/dbraw/zinc/88/78/49/343887849.db2.gz GSUJXMZRRJCBDA-UHFFFAOYSA-N 0 0 197.184 2.619 10 30 AFEERN O=CCc1cc2cc(Cl)ccc2o1 131849136 343889878 /nfs/dbraw/zinc/88/98/78/343889878.db2.gz WDVHSMVNYGZFSC-UHFFFAOYSA-N 0 0 194.617 2.828 10 30 AFEERN N#Cc1cc(Cl)c2ccoc2c1N 131880289 343890481 /nfs/dbraw/zinc/89/04/81/343890481.db2.gz GSGOZRRMNDMDDI-UHFFFAOYSA-N 0 0 192.605 2.540 10 30 AFEERN C#CC(=O)c1ccc2ccccc2c1 33966142 166011375 /nfs/dbraw/zinc/01/13/75/166011375.db2.gz ACGYXSPJTGBWSV-UHFFFAOYSA-N 0 0 180.206 2.656 10 30 AFEERN C#CC(=O)c1cccc2ccccc12 34027428 166012809 /nfs/dbraw/zinc/01/28/09/166012809.db2.gz AUWYIIPOKFJVMB-UHFFFAOYSA-N 0 0 180.206 2.656 10 30 AFEERN C#CC(CC)(CC)CC 94568774 166014012 /nfs/dbraw/zinc/01/40/12/166014012.db2.gz UUJPMWXCWIRHJH-UHFFFAOYSA-N 0 0 124.227 2.836 10 30 AFEERN C#CCCC(=O)c1ccc(C)c(C)c1 75421570 166014125 /nfs/dbraw/zinc/01/41/25/166014125.db2.gz LIZANALHAWWKDC-UHFFFAOYSA-N 0 0 186.254 2.900 10 30 AFEERN C#CCCC#CCCCCC 100036581 166014625 /nfs/dbraw/zinc/01/46/25/166014625.db2.gz CKKFRXDKWZPFTD-UHFFFAOYSA-N 0 0 148.249 2.984 10 30 AFEERN C#CCC(=O)c1cccc(Cl)c1 51074310 166014943 /nfs/dbraw/zinc/01/49/43/166014943.db2.gz MWACTEMXGMWUNN-UHFFFAOYSA-N 0 0 178.618 2.546 10 30 AFEERN C#CC1=CCCCC1(C)C 95923671 166015266 /nfs/dbraw/zinc/01/52/66/166015266.db2.gz PACPXPMVCDQJLV-UHFFFAOYSA-N 0 0 134.222 2.756 10 30 AFEERN C#CCCCC(=O)c1ccccc1 36448141 166015977 /nfs/dbraw/zinc/01/59/77/166015977.db2.gz ABEQKGZRBYOBAW-UHFFFAOYSA-N 0 0 172.227 2.673 10 30 AFEERN C#CCCCCC(C)C 2541501 166016129 /nfs/dbraw/zinc/01/61/29/166016129.db2.gz RTXYCQAQYUOCHG-UHFFFAOYSA-N 0 0 124.227 2.836 10 30 AFEERN C#CCCCCCCF 2040632 166016437 /nfs/dbraw/zinc/01/64/37/166016437.db2.gz ZNVKRVWGRGBKGK-UHFFFAOYSA-N 0 0 128.190 2.540 10 30 AFEERN C#CCCc1ccc(C)cc1 60224951 166016982 /nfs/dbraw/zinc/01/69/82/166016982.db2.gz KRBJCKMNIJGEAN-UHFFFAOYSA-N 0 0 144.217 2.561 10 30 AFEERN C#CCCc1ccccc1C 75421446 166016999 /nfs/dbraw/zinc/01/69/99/166016999.db2.gz DXUJGWXHZOSBKG-UHFFFAOYSA-N 0 0 144.217 2.561 10 30 AFEERN C#CCCc1cc(Cl)ccc1OC 75421207 166017210 /nfs/dbraw/zinc/01/72/10/166017210.db2.gz OMTYLQMDCDHRCK-UHFFFAOYSA-N 0 0 194.661 2.914 10 30 AFEERN C#CCCc1cc(C)ccc1OC 75421205 166017387 /nfs/dbraw/zinc/01/73/87/166017387.db2.gz JBYFGHFNCGFDBK-UHFFFAOYSA-N 0 0 174.243 2.569 10 30 AFEERN C#CCCSc1ccc(N)cc1F 37194611 166017434 /nfs/dbraw/zinc/01/74/34/166017434.db2.gz PSBITUZWOMIXGY-UHFFFAOYSA-N 0 0 195.262 2.523 10 30 AFEERN C#CCCc1ccccc1Cl 75421436 166017476 /nfs/dbraw/zinc/01/74/76/166017476.db2.gz RATKTJZHIQQTIT-UHFFFAOYSA-N 0 0 164.635 2.906 10 30 AFEERN C#CCCn1ccc2cc(F)ccc21 82643989 166017923 /nfs/dbraw/zinc/01/79/23/166017923.db2.gz KGEISADRXGXJQD-UHFFFAOYSA-N 0 0 187.217 2.804 10 30 AFEERN C#CCC[C@@]1(C)CCC[C@@H](C)C1=O 104843247 166018070 /nfs/dbraw/zinc/01/80/70/166018070.db2.gz ZYRZFGSZZSYNQM-PWSUYJOCSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCCc1ccc(OC)c(Cl)c1 75421208 166018104 /nfs/dbraw/zinc/01/81/04/166018104.db2.gz DQMWGOIZWAANRU-UHFFFAOYSA-N 0 0 194.661 2.914 10 30 AFEERN C#CCCc1ccccc1C=C 100034097 166018145 /nfs/dbraw/zinc/01/81/45/166018145.db2.gz YEIUVSYMIJXSJS-UHFFFAOYSA-N 0 0 156.228 2.895 10 30 AFEERN C#CCCOc1cccc2cccnc12 104359920 166018334 /nfs/dbraw/zinc/01/83/34/166018334.db2.gz JAEDGZAXWXGUHU-UHFFFAOYSA-N 0 0 197.237 2.637 10 30 AFEERN C#CCC[C@@]1(C)CCC[C@H](C)C1=O 104843252 166018445 /nfs/dbraw/zinc/01/84/45/166018445.db2.gz ZYRZFGSZZSYNQM-JQWIXIFHSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCCSc1ccc(C)cc1N 37193332 166018446 /nfs/dbraw/zinc/01/84/46/166018446.db2.gz QBPFAOVXHYHYLC-UHFFFAOYSA-N 0 0 191.299 2.693 10 30 AFEERN C#CCC[C@]1(C)CCC[C@@H](C)C1=O 104843236 166018500 /nfs/dbraw/zinc/01/85/00/166018500.db2.gz ZYRZFGSZZSYNQM-ZYHUDNBSSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCCc1cc(C)ccc1C 75421202 166018531 /nfs/dbraw/zinc/01/85/31/166018531.db2.gz JKKPTIWBCXBRJO-UHFFFAOYSA-N 0 0 158.244 2.869 10 30 AFEERN C#CCCn1ccnc1-c1ccccc1 104363762 166018603 /nfs/dbraw/zinc/01/86/03/166018603.db2.gz QUDDVCSDXHUXED-UHFFFAOYSA-N 0 0 196.253 2.573 10 30 AFEERN C#CCCSc1ccc(F)cc1N 37195281 166018726 /nfs/dbraw/zinc/01/87/26/166018726.db2.gz PCVFEUMDVRQOMI-UHFFFAOYSA-N 0 0 195.262 2.523 10 30 AFEERN C#CCCSc1ccc(N)cc1C 37193976 166019000 /nfs/dbraw/zinc/01/90/00/166019000.db2.gz ONPYLQNQIDLSDC-UHFFFAOYSA-N 0 0 191.299 2.693 10 30 AFEERN C#CCC[C@]1(C)CCC[C@H](C)C1=O 104843241 166019075 /nfs/dbraw/zinc/01/90/75/166019075.db2.gz ZYRZFGSZZSYNQM-CMPLNLGQSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCNc1c(CC)cccc1CC 51787769 166026927 /nfs/dbraw/zinc/02/69/27/166026927.db2.gz JPQSOHDMESAIDG-UHFFFAOYSA-N 0 0 187.286 2.857 10 30 AFEERN C#CCNc1cccc(C(C)C)c1 49537650 166028310 /nfs/dbraw/zinc/02/83/10/166028310.db2.gz FLQPEPOXQXXQPC-UHFFFAOYSA-N 0 0 173.259 2.855 10 30 AFEERN C#CCOc1cccc2ccc(C)nc12 41634773 166029064 /nfs/dbraw/zinc/02/90/64/166029064.db2.gz BLBQHNJQDJGGAK-UHFFFAOYSA-N 0 0 197.237 2.555 10 30 AFEERN C#CCSC1CCCCC1 41634781 166029143 /nfs/dbraw/zinc/02/91/43/166029143.db2.gz PBUNIVDBCFNBLU-UHFFFAOYSA-N 0 0 154.278 2.686 10 30 AFEERN C#CCOc1ccccc1C(C)(C)C 42011994 166029180 /nfs/dbraw/zinc/02/91/80/166029180.db2.gz OHPUUFVKPLRCRU-UHFFFAOYSA-N 0 0 188.270 2.996 10 30 AFEERN C#CCSc1cc2ccccc2[nH]1 59665352 166029184 /nfs/dbraw/zinc/02/91/84/166029184.db2.gz SOVTXNVCJUBLKQ-UHFFFAOYSA-N 0 0 187.267 2.893 10 30 AFEERN C#CCOc1ccc(Cl)c(C)c1 41634681 166029338 /nfs/dbraw/zinc/02/93/38/166029338.db2.gz VUXGOONBHWGDDF-UHFFFAOYSA-N 0 0 180.634 2.660 10 30 AFEERN C#CCOc1cc(C)ccc1Cl 41634727 166029429 /nfs/dbraw/zinc/02/94/29/166029429.db2.gz XLGQGXDHISKGRF-UHFFFAOYSA-N 0 0 180.634 2.660 10 30 AFEERN C#CCOc1ccc(Cl)c(CC)c1 41634725 166029552 /nfs/dbraw/zinc/02/95/52/166029552.db2.gz IZSKIOLXSCRSOP-UHFFFAOYSA-N 0 0 194.661 2.914 10 30 AFEERN C#CCOc1ccc(Cl)cc1C 41634680 166029867 /nfs/dbraw/zinc/02/98/67/166029867.db2.gz VBUKRVQWUDENOY-UHFFFAOYSA-N 0 0 180.634 2.660 10 30 AFEERN C#CCSc1c(N)cccc1Cl 37204387 166029937 /nfs/dbraw/zinc/02/99/37/166029937.db2.gz RGWLVMUYLCGVDU-UHFFFAOYSA-N 0 0 197.690 2.648 10 30 AFEERN C#CCOc1c(C)ccc(C)c1C 42011990 166029983 /nfs/dbraw/zinc/02/99/83/166029983.db2.gz NPULEKKXYOEEKI-UHFFFAOYSA-N 0 0 174.243 2.624 10 30 AFEERN C#CCSc1ccc(F)c(F)c1 41635529 166030056 /nfs/dbraw/zinc/03/00/56/166030056.db2.gz VMCIBPODIIUIRI-UHFFFAOYSA-N 0 0 184.210 2.690 10 30 AFEERN C#CCSc1ccc(Cl)cc1N 19815375 166030065 /nfs/dbraw/zinc/03/00/65/166030065.db2.gz NWDZWGCVNRCPGA-UHFFFAOYSA-N 0 0 197.690 2.648 10 30 AFEERN C#CCOc1cccc(C(C)(C)C)c1 35975794 166030208 /nfs/dbraw/zinc/03/02/08/166030208.db2.gz BJLIKSNNTYQHAS-UHFFFAOYSA-N 0 0 188.270 2.996 10 30 AFEERN C#CCSc1ccc(N)cc1Cl 37205101 166030274 /nfs/dbraw/zinc/03/02/74/166030274.db2.gz GHNHJBREDJQWKP-UHFFFAOYSA-N 0 0 197.690 2.648 10 30 AFEERN C#CCSc1ccc(C(C)=O)cc1 58018339 166030359 /nfs/dbraw/zinc/03/03/59/166030359.db2.gz SCEDPBXPNHAKAU-UHFFFAOYSA-N 0 0 190.267 2.615 10 30 AFEERN C#CCSCc1ccccc1 41634678 166030377 /nfs/dbraw/zinc/03/03/77/166030377.db2.gz QUCSLEUZBNYXHX-UHFFFAOYSA-N 0 0 162.257 2.553 10 30 AFEERN C#CCOc1ccc2c(c1)CCCC2 42417542 166030435 /nfs/dbraw/zinc/03/04/35/166030435.db2.gz WGSWBFDFEBMVHP-UHFFFAOYSA-N 0 0 186.254 2.577 10 30 AFEERN C#CCOc1cccc2sccc12 89195327 166030544 /nfs/dbraw/zinc/03/05/44/166030544.db2.gz CGZDCPHKTAXHEI-UHFFFAOYSA-N 0 0 188.251 2.913 10 30 AFEERN C#CCOc1c(C)cc(Cl)cc1C 42012002 166030781 /nfs/dbraw/zinc/03/07/81/166030781.db2.gz XCZLIYXFHGECDS-UHFFFAOYSA-N 0 0 194.661 2.969 10 30 AFEERN C#CC[C@H](C)C(=O)c1ccccc1 75421535 166031049 /nfs/dbraw/zinc/03/10/49/166031049.db2.gz INGLQZAMIBFUPL-JTQLQIEISA-N 0 0 172.227 2.529 10 30 AFEERN C#CC[C@@H](O)c1cccc2ccccc12 36456231 166031471 /nfs/dbraw/zinc/03/14/71/166031471.db2.gz NXVZHJDQNNNXPG-CQSZACIVSA-N 0 0 196.249 2.897 10 30 AFEERN C#CC[C@@H]1C[C@@H](CCC)CCC1=O 43653785 166031654 /nfs/dbraw/zinc/03/16/54/166031654.db2.gz HMNJVEXMZCCTSP-WDEREUQCSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCSc1ccccc1C 42012057 166031735 /nfs/dbraw/zinc/03/17/35/166031735.db2.gz GZQVBVLKDXKQSG-UHFFFAOYSA-N 0 0 162.257 2.720 10 30 AFEERN C#CC[C@@H](C)C(=O)c1ccccc1 75421536 166031843 /nfs/dbraw/zinc/03/18/43/166031843.db2.gz INGLQZAMIBFUPL-SNVBAGLBSA-N 0 0 172.227 2.529 10 30 AFEERN C#CCSc1cccc(C)c1 42012060 166031895 /nfs/dbraw/zinc/03/18/95/166031895.db2.gz HPBWEGYTQZGKLD-UHFFFAOYSA-N 0 0 162.257 2.720 10 30 AFEERN C#CC[C@@H]1C[C@H](CCC)CCC1=O 43653783 166032483 /nfs/dbraw/zinc/03/24/83/166032483.db2.gz HMNJVEXMZCCTSP-GHMZBOCLSA-N 0 0 178.275 2.795 10 30 AFEERN C#CC[C@H]1C[C@H](CCC)CCC1=O 43653787 166034108 /nfs/dbraw/zinc/03/41/08/166034108.db2.gz HMNJVEXMZCCTSP-MNOVXSKESA-N 0 0 178.275 2.795 10 30 AFEERN C#CC[C@H]1C[C@@H](CCC)CCC1=O 43653789 166035151 /nfs/dbraw/zinc/03/51/51/166035151.db2.gz HMNJVEXMZCCTSP-QWRGUYRKSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCn1c(C(C)C)nc2ccccc21 39908081 166035221 /nfs/dbraw/zinc/03/52/21/166035221.db2.gz DYUARVXCAXINHY-UHFFFAOYSA-N 0 0 198.269 2.793 10 30 AFEERN C#CCn1c(C2CC2)nc2ccccc21 39907669 166035572 /nfs/dbraw/zinc/03/55/72/166035572.db2.gz SQBHRWJOHGOONC-UHFFFAOYSA-N 0 0 196.253 2.547 10 30 AFEERN C#C[C@H](C)Nc1cccc(OCC)c1 39271016 166037456 /nfs/dbraw/zinc/03/74/56/166037456.db2.gz CJOXOXFIZICKQQ-JTQLQIEISA-N 0 0 189.258 2.519 10 30 AFEERN C#C[C@@](C)(O)CCC(C)=C(C)C 5158130 166037549 /nfs/dbraw/zinc/03/75/49/166037549.db2.gz UOQFIGQMCWDDKX-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN C#C[C@H](C)Nc1cccc(Cl)c1 34589386 166037825 /nfs/dbraw/zinc/03/78/25/166037825.db2.gz BAIOSIYJYRVIAF-QMMMGPOBSA-N 0 0 179.650 2.774 10 30 AFEERN C#C[C@@](C)(CCCCCC)OC 24626751 166037887 /nfs/dbraw/zinc/03/78/87/166037887.db2.gz CHTCFOZBENGLQN-NSHDSACASA-N 0 0 168.280 2.995 10 30 AFEERN C#C[C@@]1(C)CC1=C=C(C)C 95923409 166038030 /nfs/dbraw/zinc/03/80/30/166038030.db2.gz CJOPWMPFIBDPRC-JTQLQIEISA-N 0 0 132.206 2.521 10 30 AFEERN C#C[C@](C)(CCCCCC)OC 24626758 166038887 /nfs/dbraw/zinc/03/88/87/166038887.db2.gz CHTCFOZBENGLQN-LLVKDONJSA-N 0 0 168.280 2.995 10 30 AFEERN C#C[C@]1(C)CC1=C=C(C)C 95923408 166039035 /nfs/dbraw/zinc/03/90/35/166039035.db2.gz CJOPWMPFIBDPRC-SNVBAGLBSA-N 0 0 132.206 2.521 10 30 AFEERN C#C[C@H](O)/C=C/CCCCCC 96914850 166040043 /nfs/dbraw/zinc/04/00/43/166040043.db2.gz XSEMXLZWKDTMJS-USKTWTLRSA-N 0 0 166.264 2.507 10 30 AFEERN C#Cc1ccc(-c2ccc(F)cc2)cn1 95761553 166040642 /nfs/dbraw/zinc/04/06/42/166040642.db2.gz WTHIAPMRLPCZHC-UHFFFAOYSA-N 0 0 197.212 2.869 10 30 AFEERN C#Cc1ccc(F)cc1CCC=C 100034106 166040974 /nfs/dbraw/zinc/04/09/74/166040974.db2.gz YUQMKSLEOLEKHF-UHFFFAOYSA-N 0 0 174.218 2.926 10 30 AFEERN C#Cc1ccc(C)cc1[Si](C)(C)C 238540433 166041074 /nfs/dbraw/zinc/04/10/74/166041074.db2.gz GJZLGVLBWIFUKZ-UHFFFAOYSA-N 0 0 188.346 2.522 10 30 AFEERN C#Cc1ccc(C)cc1Cl 62605400 166041165 /nfs/dbraw/zinc/04/11/65/166041165.db2.gz UJQYQXVYEKPINY-UHFFFAOYSA-N 0 0 150.608 2.630 10 30 AFEERN C#Cc1ccc(CCC)s1 39049817 166041212 /nfs/dbraw/zinc/04/12/12/166041212.db2.gz SFZXEPGZYXEFTI-UHFFFAOYSA-N 0 0 150.246 2.682 10 30 AFEERN C#Cc1ccc(-c2ccccc2)cn1 95761552 166041679 /nfs/dbraw/zinc/04/16/79/166041679.db2.gz UQEHPEIUUBCXBI-UHFFFAOYSA-N 0 0 179.222 2.730 10 30 AFEERN C#Cc1ccc(Cl)cc1C 58626261 166041729 /nfs/dbraw/zinc/04/17/29/166041729.db2.gz BVHBBLNZXUAWLN-UHFFFAOYSA-N 0 0 150.608 2.630 10 30 AFEERN C#Cc1cccc(C)c1Cl 66319024 166042431 /nfs/dbraw/zinc/04/24/31/166042431.db2.gz AJPCEHCRCHTOHS-UHFFFAOYSA-N 0 0 150.608 2.630 10 30 AFEERN C#Cc1ccc2c(OC)cccc2c1 39119967 166042436 /nfs/dbraw/zinc/04/24/36/166042436.db2.gz TZOZXAHLDKKRKY-UHFFFAOYSA-N 0 0 182.222 2.830 10 30 AFEERN C#Cc1ccc2ccc(OC)cc2c1 39119949 166042564 /nfs/dbraw/zinc/04/25/64/166042564.db2.gz WZXFQDDYKKFZBU-UHFFFAOYSA-N 0 0 182.222 2.830 10 30 AFEERN C#Cc1cccc(NCC(F)(F)F)c1 20034382 166042691 /nfs/dbraw/zinc/04/26/91/166042691.db2.gz XAWGXOBYWKHGJW-UHFFFAOYSA-N 0 0 199.175 2.642 10 30 AFEERN C#Cc1ccc(OC)cc1CCC=C 35564988 166042727 /nfs/dbraw/zinc/04/27/27/166042727.db2.gz VEMVHMVJOUDAAM-UHFFFAOYSA-N 0 0 186.254 2.795 10 30 AFEERN C#Cc1cccc(NCC(=C)Cl)c1 37680842 166043184 /nfs/dbraw/zinc/04/31/84/166043184.db2.gz BBYJAOGJNVHTKY-UHFFFAOYSA-N 0 0 191.661 2.832 10 30 AFEERN C(#C[C@H]1CCCCO1)c1ccccc1 15771305 166043882 /nfs/dbraw/zinc/04/38/82/166043882.db2.gz HBAKLOZVGZCICO-CYBMUJFWSA-N 0 0 186.254 2.607 10 30 AFEERN C(#C[C@@H]1CCCCO1)c1ccccc1 15771303 166044024 /nfs/dbraw/zinc/04/40/24/166044024.db2.gz HBAKLOZVGZCICO-ZDUSSCGKSA-N 0 0 186.254 2.607 10 30 AFEERN C#Cc1nc(C(C)C)c(C)s1 39103993 166044062 /nfs/dbraw/zinc/04/40/62/166044062.db2.gz HHKKSOSMMOITOQ-UHFFFAOYSA-N 0 0 165.261 2.556 10 30 AFEERN C(#CC1CCCC1)c1ccccn1 72284405 166044168 /nfs/dbraw/zinc/04/41/68/166044168.db2.gz MYQMTCUHSRGXFP-UHFFFAOYSA-N 0 0 171.243 2.623 10 30 AFEERN C(#Cc1cscn1)c1ccccc1 13492924 166044824 /nfs/dbraw/zinc/04/48/24/166044824.db2.gz RESHTYCQJVKIMQ-UHFFFAOYSA-N 0 0 185.251 2.543 10 30 AFEERN c1ccc(CN=Nc2ccccn2)cc1 5390920 166045884 /nfs/dbraw/zinc/04/58/84/166045884.db2.gz BPECCKRJFULQIS-GXDHUFHOSA-N 0 0 197.241 2.528 10 30 AFEERN C(=N/c1ccccc1)\c1ccncc1 571277 166045982 /nfs/dbraw/zinc/04/59/82/166045982.db2.gz DDHVJFYBTGEOJS-GXDHUFHOSA-N 0 0 182.226 2.832 10 30 AFEERN C(=N\Cc1ccccc1)\c1ccccn1 256006719 166046547 /nfs/dbraw/zinc/04/65/47/166046547.db2.gz VJQJFEXLMBOYON-KAMYIIQDSA-N 0 0 196.253 2.701 10 30 AFEERN C(=Nc1ccccc1)c1ccccn1 255967759 166046831 /nfs/dbraw/zinc/04/68/31/166046831.db2.gz CSGRSRYPHUABSU-UHFFFAOYSA-N 0 0 182.226 2.832 10 30 AFEERN C(=N/CCc1ccccc1)\c1ccco1 3199632 166046966 /nfs/dbraw/zinc/04/69/66/166046966.db2.gz ANAVOAVCCMJUHE-SDNWHVSQSA-N 0 0 199.253 2.941 10 30 AFEERN C(=Nc1ccccc1)c1cccnc1 255964891 166047055 /nfs/dbraw/zinc/04/70/55/166047055.db2.gz BMROZNZIAYCBGB-UHFFFAOYSA-N 0 0 182.226 2.832 10 30 AFEERN C(=N/c1ccccn1)\c1cccs1 100039145 166047246 /nfs/dbraw/zinc/04/72/46/166047246.db2.gz SDWIEQMUJIZZSY-XYOKQWHBSA-N 0 0 188.255 2.894 10 30 AFEERN C/C(=C\CC=O)c1ccccc1 75544622 166049249 /nfs/dbraw/zinc/04/92/49/166049249.db2.gz GTDCDFKGLIWDJX-UXBLZVDNSA-N 0 0 160.216 2.679 10 30 AFEERN C/C(=N/N)c1ccc2ccccc2c1 33280050 166050483 /nfs/dbraw/zinc/05/04/83/166050483.db2.gz ZWEVPZOYKOGJPF-ZROIWOOFSA-N 0 0 184.242 2.523 10 30 AFEERN C/C(=N/O)Nc1ccc(Cl)cc1 5132399 166050737 /nfs/dbraw/zinc/05/07/37/166050737.db2.gz PZWVUZDEJNEMBL-UHFFFAOYSA-N 0 0 184.626 2.560 10 30 AFEERN C/C(=C\c1ccccc1)CC=O 75544638 166051555 /nfs/dbraw/zinc/05/15/55/166051555.db2.gz REKWEDTZBBOFEN-MDZDMXLPSA-N 0 0 160.216 2.679 10 30 AFEERN C/C(=N/O)c1ccc(C)cc1C 105533345 166052701 /nfs/dbraw/zinc/05/27/01/166052701.db2.gz RSSGOWVBFSISJN-LUAWRHEFSA-N 0 0 163.220 2.502 10 30 AFEERN C/C(=N\O)c1ccc(OC(C)C)cc1 19429334 166052956 /nfs/dbraw/zinc/05/29/56/166052956.db2.gz CJFWCNTWJDWAPA-FMIVXFBMSA-N 0 0 193.246 2.672 10 30 AFEERN C/C(=N\O)c1cccc(OC(C)C)c1 19519174 166053658 /nfs/dbraw/zinc/05/36/58/166053658.db2.gz DOYDNWOCJZNJQH-FMIVXFBMSA-N 0 0 193.246 2.672 10 30 AFEERN C/C(=N/O)c1ccc(C)c(C)c1 100059127 166053754 /nfs/dbraw/zinc/05/37/54/166053754.db2.gz OXZFANMLYZGRGL-LUAWRHEFSA-N 0 0 163.220 2.502 10 30 AFEERN C/C(=N\O)C1(C)CCCCC1 5287778 166054200 /nfs/dbraw/zinc/05/42/00/166054200.db2.gz WNAHGKLWTXOZSR-CSKARUKUSA-N 0 0 155.241 2.807 10 30 AFEERN C/C(=N\O)c1ccccc1OC(C)C 19503046 166054628 /nfs/dbraw/zinc/05/46/28/166054628.db2.gz PBBRJMJBJCWDMN-FMIVXFBMSA-N 0 0 193.246 2.672 10 30 AFEERN C/C(=N/O)c1cc(C)ccc1C 13989077 166054648 /nfs/dbraw/zinc/05/46/48/166054648.db2.gz KDLGEBUJVZKLMM-LUAWRHEFSA-N 0 0 163.220 2.502 10 30 AFEERN C/C(=N\O)C(C)(C)Nc1ccccc1 157576 166054836 /nfs/dbraw/zinc/05/48/36/166054836.db2.gz DLXBAXMEDVMTQZ-UKTHLTGXSA-N 0 0 192.262 2.727 10 30 AFEERN C/C(COc1ccc(Cl)cc1)=N/O 102677014 166055664 /nfs/dbraw/zinc/05/56/64/166055664.db2.gz XITXOEYZWKFBHF-XFFZJAGNSA-N 0 0 199.637 2.569 10 30 AFEERN C/C(CC(C)C)=N\NC(C)(C)C 5359440 166055716 /nfs/dbraw/zinc/05/57/16/166055716.db2.gz LUFLQNHYECGQNP-PKNBQFBNSA-N 0 0 170.300 2.797 10 30 AFEERN C/C(Cc1cc(C)ccc1C)=N\O 83263091 166055896 /nfs/dbraw/zinc/05/58/96/166055896.db2.gz PJJITZCRZAKCRP-ZRDIBKRKSA-N 0 0 177.247 2.696 10 30 AFEERN C/C(Cc1ccc(Cl)cc1)=N\O 100090925 166056119 /nfs/dbraw/zinc/05/61/19/166056119.db2.gz YVVQXFWTRCZDQE-YRNVUSSQSA-N 0 0 183.638 2.733 10 30 AFEERN C/C(Cc1ccc(C)cc1C)=N/O 100090794 166056124 /nfs/dbraw/zinc/05/61/24/166056124.db2.gz NMVMKQXEGZYHSY-BENRWUELSA-N 0 0 177.247 2.696 10 30 AFEERN C/C(Cc1c[nH]c2ccccc12)=N/O 101499142 166056168 /nfs/dbraw/zinc/05/61/68/166056168.db2.gz XENYFGWDBDFAKA-JYRVWZFOSA-N 0 0 188.230 2.561 10 30 AFEERN CC(C)CC(C)N=Nc1ccccn1 5421206 166056216 /nfs/dbraw/zinc/05/62/16/166056216.db2.gz DRBJDRYUDVFMFG-JLHYYAGUSA-N 0 0 191.278 2.916 10 30 AFEERN C/C(COc1c(C)cccc1C)=N\O 95934342 166056418 /nfs/dbraw/zinc/05/64/18/166056418.db2.gz DJQNMCARGAAZBX-ZRDIBKRKSA-N 0 0 193.246 2.532 10 30 in-vitro AFEERN C/C(Cc1ccc(C)cc1C)=N\O 83263079 166056904 /nfs/dbraw/zinc/05/69/04/166056904.db2.gz NMVMKQXEGZYHSY-ZRDIBKRKSA-N 0 0 177.247 2.696 10 30 AFEERN C/C(Cc1c[nH]c2ccccc12)=N\O 4676730 166057119 /nfs/dbraw/zinc/05/71/19/166057119.db2.gz XENYFGWDBDFAKA-MDWZMJQESA-N 0 0 188.230 2.561 10 30 AFEERN CC(O)=CC(=O)c1ccc(Cl)cc1 103560396 166058238 /nfs/dbraw/zinc/05/82/38/166058238.db2.gz CVGCKCRYTLWORY-SREVYHEPSA-N 0 0 196.633 2.985 10 30 AFEERN C/C=C(C(/C)=N/O)\c1ccccc1 100013064 166059429 /nfs/dbraw/zinc/05/94/29/166059429.db2.gz KHJVFWLAELGGJA-DEUKOJNASA-N 0 0 175.231 2.940 10 30 AFEERN C/C=C(\C(C)=NO)c1ccccc1 257352301 166059488 /nfs/dbraw/zinc/05/94/88/166059488.db2.gz KHJVFWLAELGGJA-GJDWRIMPSA-N 0 0 175.231 2.940 10 30 AFEERN C/C=C(\F)C(=O)c1ccccc1 39054816 166059490 /nfs/dbraw/zinc/05/94/90/166059490.db2.gz UAHSCVDPCADDIK-MBXJOHMKSA-N 0 0 164.179 2.743 10 30 AFEERN C/C=C(\C)[C@@]1(C)C=CC(=O)CC1 44138748 166059884 /nfs/dbraw/zinc/05/98/84/166059884.db2.gz CXDRAURUIKECGK-VKJYCEFSSA-N 0 0 164.248 2.878 10 30 AFEERN C/C=C(C(\C)=N\O)/c1ccccc1 12367605 166060016 /nfs/dbraw/zinc/06/00/16/166060016.db2.gz KHJVFWLAELGGJA-NLQSNWAZSA-N 0 0 175.231 2.940 10 30 AFEERN C/C=C(\C)[C@]1(C)C=CC(=O)CC1 44138750 166060180 /nfs/dbraw/zinc/06/01/80/166060180.db2.gz CXDRAURUIKECGK-VCFDLTMXSA-N 0 0 164.248 2.878 10 30 AFEERN C/C=C/C=N/c1cnc2ccccn12 89201152 166061100 /nfs/dbraw/zinc/06/11/00/166061100.db2.gz FJWJBUREXNPYHU-IEKDHZODSA-N 0 0 185.230 2.613 10 30 AFEERN C/C=C/C1CCC(C=O)CC1 39062212 166061948 /nfs/dbraw/zinc/06/19/48/166061948.db2.gz VHEHWEDJJNZNLN-NSCUHMNNSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/COc1ccc(CC#N)cc1 19503934 166062388 /nfs/dbraw/zinc/06/23/88/166062388.db2.gz JBHMNXKWTPNWKT-NSCUHMNNSA-N 0 0 187.242 2.708 10 30 AFEERN C/C=C/COc1cccc(C#N)c1 19481553 166062561 /nfs/dbraw/zinc/06/25/61/166062561.db2.gz SBWKOQQEWKQCHB-NSCUHMNNSA-N 0 0 173.215 2.513 10 30 AFEERN C/C=C/COc1cc(C)ccc1C#N 51598532 166063838 /nfs/dbraw/zinc/06/38/38/166063838.db2.gz QEBJSCUBRQDTIK-ONEGZZNKSA-N 0 0 187.242 2.822 10 30 AFEERN C/C=C/COc1ccc(C#N)cc1 19517168 166064186 /nfs/dbraw/zinc/06/41/86/166064186.db2.gz ZEKQCYOJNOLEHQ-NSCUHMNNSA-N 0 0 173.215 2.513 10 30 AFEERN C/C=C/COc1ccccc1C#N 19473459 166064309 /nfs/dbraw/zinc/06/43/09/166064309.db2.gz VLLWKEJLDGBVRY-NSCUHMNNSA-N 0 0 173.215 2.513 10 30 AFEERN C/C=C/[C@H](CC=O)CCC 75527865 166065006 /nfs/dbraw/zinc/06/50/06/166065006.db2.gz XCNYPKJCHZSRFQ-SGRBOOSSSA-N 0 0 140.226 2.568 10 30 AFEERN C/C=C/[C@@H](C=O)c1ccccc1 101817740 166065310 /nfs/dbraw/zinc/06/53/10/166065310.db2.gz ATYUEOYJIQYTAG-GSQGTZRGSA-N 0 0 160.216 2.545 10 30 AFEERN C/C=C/[C@@H](CC=O)CCC 75527869 166065332 /nfs/dbraw/zinc/06/53/32/166065332.db2.gz XCNYPKJCHZSRFQ-HYYFJVDXSA-N 0 0 140.226 2.568 10 30 AFEERN C/C=C/O/N=C(\C)c1ccccc1 96675419 166065348 /nfs/dbraw/zinc/06/53/48/166065348.db2.gz WCQCNNLGVUXWRP-VNBACUINSA-N 0 0 175.231 2.961 10 30 AFEERN C/C=C/[C@@](C)(C=O)c1ccccc1 75564718 166065411 /nfs/dbraw/zinc/06/54/11/166065411.db2.gz QMKDJOKOBAYZJB-KBNZMGLGSA-N 0 0 174.243 2.719 10 30 AFEERN C/C=C/[C@H]1CCCC[C@@H]1C=O 39062339 166065488 /nfs/dbraw/zinc/06/54/88/166065488.db2.gz JVOLAJKFKZOWPI-QOHYJFSASA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/[C@H](C=O)c1ccccc1 5132906 166065767 /nfs/dbraw/zinc/06/57/67/166065767.db2.gz ATYUEOYJIQYTAG-SZHMKSFOSA-N 0 0 160.216 2.545 10 30 AFEERN CC(C)=CC(=O)c1ccncc1C 132782456 343904231 /nfs/dbraw/zinc/90/42/31/343904231.db2.gz VMRRHZNTODOAPC-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C/C=C/[C@](C)(C=O)c1ccccc1 75564720 166066744 /nfs/dbraw/zinc/06/67/44/166066744.db2.gz QMKDJOKOBAYZJB-AHAUYKDXSA-N 0 0 174.243 2.719 10 30 AFEERN C/C=C1/C(=O)CCCC1(C)C 104837731 166066769 /nfs/dbraw/zinc/06/67/69/166066769.db2.gz XOUDJIOPSNLAKV-YWEYNIOJSA-N 0 0 152.237 2.712 10 30 AFEERN C/C=C\C=N/c1ccc(C(=O)[O-])cc1 39083408 166068608 /nfs/dbraw/zinc/06/86/08/166068608.db2.gz WNYPTHXSJOPGHZ-CXNFFOGLSA-N 0 0 189.214 2.663 10 30 AFEERN C/C=[NH+]/CC1(CC(=O)[O-])CCCCC1 103217783 166068957 /nfs/dbraw/zinc/06/89/57/166068957.db2.gz KKJOJCSROIOYGE-SWGQDTFXSA-N 0 0 197.278 2.502 10 30 AFEERN C/C=N/OCc1ccc(Cl)cc1 95942399 166069184 /nfs/dbraw/zinc/06/91/84/166069184.db2.gz RNQWPFCMVULLMA-BIIKFXOESA-N 0 0 183.638 2.862 10 30 AFEERN CCN=Nc1nc2ccccc2s1 5289755 166069605 /nfs/dbraw/zinc/06/96/05/166069605.db2.gz QSKHQTIJTLKLOH-WTDSWWLTSA-N 0 0 191.259 2.714 10 30 AFEERN C/C=C\c1ccc(C#N)cc1 75529083 166069759 /nfs/dbraw/zinc/06/97/59/166069759.db2.gz DTFJDKQVJTWWAB-IHWYPQMZSA-N 0 0 143.189 2.591 10 30 AFEERN C/C=N/c1ccc(C(=O)OCC)cc1 211759307 166070138 /nfs/dbraw/zinc/07/01/38/166070138.db2.gz AKVDWYXMLNSQGQ-KGVSQERTSA-N 0 0 191.230 2.586 10 30 AFEERN C/C=C\[C@H]1CC[C@@H](C=O)CC1 100132188 166070607 /nfs/dbraw/zinc/07/06/07/166070607.db2.gz VHEHWEDJJNZNLN-NKDZUWFRSA-N 0 0 152.237 2.568 10 30 AFEERN C1CCC(CC[C@@H]2CO2)CC1 34478842 166088016 /nfs/dbraw/zinc/08/80/16/166088016.db2.gz RPHVBCSBPLLDFV-SNVBAGLBSA-N 0 0 154.253 2.746 10 30 AFEERN C1CCCC(OC[C@H]2CO2)CCC1 1607020 166089204 /nfs/dbraw/zinc/08/92/04/166089204.db2.gz SCJXYYREAPHXLL-NSHDSACASA-N 0 0 184.279 2.515 10 30 AFEERN C1CCCCC2(CCC1)CO2 39326025 166090017 /nfs/dbraw/zinc/09/00/17/166090017.db2.gz FNPDAFYLFPVXDE-UHFFFAOYSA-N 0 0 154.253 2.890 10 30 AFEERN C1CC[C@@H]2C[C@@]3(CC[C@@H]2C1)CO3 5133946 166093644 /nfs/dbraw/zinc/09/36/44/166093644.db2.gz FPFVZIDENANHLL-AXFHLTTASA-N 0 0 166.264 2.746 10 30 AFEERN C=C(/C(C)=N/O)c1ccccc1 136625 166110799 /nfs/dbraw/zinc/11/07/99/166110799.db2.gz DKQQHRYNSJOWIH-PKNBQFBNSA-N 0 0 161.204 2.550 10 30 AFEERN C=C(C)/C(C)=C/C 2528317 166111597 /nfs/dbraw/zinc/11/15/97/166111597.db2.gz PCCCQOGUVCNYOI-FNORWQNLSA-N 0 0 96.173 2.529 10 30 AFEERN C=C(C(C)C)C(C)C 2564163 166111641 /nfs/dbraw/zinc/11/16/41/166111641.db2.gz GIBPFTYFAOOKOV-UHFFFAOYSA-N 0 0 112.216 2.855 10 30 AFEERN C=C(C)/C=C/NC(=O)OC(C)(C)C 100247210 166111797 /nfs/dbraw/zinc/11/17/97/166111797.db2.gz OEALUTRSNGFHND-VOTSOKGWSA-N 0 0 183.251 2.601 10 30 AFEERN C=C(C)/C=C/c1ccco1 104834964 166112038 /nfs/dbraw/zinc/11/20/38/166112038.db2.gz MBKWUIWSSYXDAA-AATRIKPKSA-N 0 0 134.178 2.869 10 30 AFEERN C=C(C)/C=C/c1cccnc1 39051966 166112594 /nfs/dbraw/zinc/11/25/94/166112594.db2.gz WKCRBRFVQFOPLE-AATRIKPKSA-N 0 0 145.205 2.671 10 30 AFEERN C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CC 335130267 166113697 /nfs/dbraw/zinc/11/36/97/166113697.db2.gz MBDLFSKLVXZRCG-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C1(C=O)CCC(C)CC1 75554808 166113894 /nfs/dbraw/zinc/11/38/94/166113894.db2.gz ZMPZUIGDTGADRY-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)c1ccc(OC)c(C)c1 71500638 166114006 /nfs/dbraw/zinc/11/40/06/166114006.db2.gz CLGWYAXWAXFPLD-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=C(C)C(=O)c1ccc(F)cc1 8682283 166114055 /nfs/dbraw/zinc/11/40/55/166114055.db2.gz DUOJDZXDNXBCHN-UHFFFAOYSA-N 0 0 164.179 2.585 10 30 AFEERN C=C(C)C(=O)Oc1cccc(Cl)c1 145288632 166114122 /nfs/dbraw/zinc/11/41/22/166114122.db2.gz UZPZUBQNWHJPCU-UHFFFAOYSA-N 0 0 196.633 2.822 10 30 AFEERN C=C(C)C(=O)c1ccccc1C 34513994 166114139 /nfs/dbraw/zinc/11/41/39/166114139.db2.gz ATQNADIKFWTJDC-UHFFFAOYSA-N 0 0 160.216 2.754 10 30 AFEERN C=C(C)C(=O)c1cccs1 8689803 166114146 /nfs/dbraw/zinc/11/41/46/166114146.db2.gz AKTCAPPBLTYJPA-UHFFFAOYSA-N 0 0 152.218 2.507 10 30 AFEERN C=C(C)C(=O)c1cccc(F)c1 38312267 166114150 /nfs/dbraw/zinc/11/41/50/166114150.db2.gz MOTPSUDLHGZOQW-UHFFFAOYSA-N 0 0 164.179 2.585 10 30 AFEERN C=C(C)C(C)(C)CC 2034758 166114239 /nfs/dbraw/zinc/11/42/39/166114239.db2.gz TUSBCMPNIOJUBX-UHFFFAOYSA-N 0 0 112.216 2.999 10 30 AFEERN C=C(C)C=C1CCC1 197113302 166114408 /nfs/dbraw/zinc/11/44/08/166114408.db2.gz MIHDEROYDMIXOE-UHFFFAOYSA-N 0 0 108.184 2.673 10 30 AFEERN C=C(C)C(=O)c1ccc2c(c1)CCC2 71499811 166114481 /nfs/dbraw/zinc/11/44/81/166114481.db2.gz DZVVBOLYJRLTEE-UHFFFAOYSA-N 0 0 186.254 2.934 10 30 AFEERN C=C(C)C(=O)Oc1c(C)cccc1C 6071718 166114513 /nfs/dbraw/zinc/11/45/13/166114513.db2.gz UWDKOKUSUKKWOT-UHFFFAOYSA-N 0 0 190.242 2.785 10 30 AFEERN C=C(C)C(=O)OCc1ccc(C)cc1 33611035 166114564 /nfs/dbraw/zinc/11/45/64/166114564.db2.gz ZALFZMYXGFDRIW-UHFFFAOYSA-N 0 0 190.242 2.614 10 30 AFEERN C=C(C)C(=O)c1ccc(F)c(F)c1 71498982 166114620 /nfs/dbraw/zinc/11/46/20/166114620.db2.gz PMWBYVVVLSVTHR-UHFFFAOYSA-N 0 0 182.169 2.724 10 30 AFEERN C=C(C)C(=O)c1ccc(OC)c(F)c1 71506661 166114686 /nfs/dbraw/zinc/11/46/86/166114686.db2.gz JPODXLDCLQDMBG-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=C(C)C(C)(C)NC(=O)OC(C)(C)C 39091249 166114730 /nfs/dbraw/zinc/11/47/30/166114730.db2.gz TUDZWGLWDFNRMN-UHFFFAOYSA-N 0 0 199.294 2.866 10 30 AFEERN C=C(C)C(=O)c1cc(F)ccc1OC 71506662 166114830 /nfs/dbraw/zinc/11/48/30/166114830.db2.gz GABUPWJBCOMRKJ-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=C(C)C(=O)c1ccc(F)cc1F 71498983 166114854 /nfs/dbraw/zinc/11/48/54/166114854.db2.gz SWJNTRFLKZKBNL-UHFFFAOYSA-N 0 0 182.169 2.724 10 30 AFEERN C=C(C)C(=O)c1ccc(F)c(C)c1 71497409 166114869 /nfs/dbraw/zinc/11/48/69/166114869.db2.gz BMKQWIYIKYBZAS-UHFFFAOYSA-N 0 0 178.206 2.893 10 30 AFEERN C=C(C)C(C)(C)C(=O)N1CC[C@H]1CC 335130268 166114886 /nfs/dbraw/zinc/11/48/86/166114886.db2.gz MBDLFSKLVXZRCG-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C(C)(C)N(O)c1ccccn1 73155989 166114980 /nfs/dbraw/zinc/11/49/80/166114980.db2.gz RWMFJVCGINUGPD-UHFFFAOYSA-N 0 0 192.262 2.632 10 30 AFEERN C=C(C)C(=O)OCCCCC(C)C 38656937 166115176 /nfs/dbraw/zinc/11/51/76/166115176.db2.gz PBBKPPMXXHOGTE-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C=C(C)C1(C=O)CCCCC1 75539743 166115274 /nfs/dbraw/zinc/11/52/74/166115274.db2.gz LJGCTGQJBCCMFU-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C(=O)c1cc(C)ccc1OC 71500640 166115312 /nfs/dbraw/zinc/11/53/12/166115312.db2.gz YLRDISJMZCNOEO-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=C(C)C(=O)c1cc(F)ccc1F 71498980 166115360 /nfs/dbraw/zinc/11/53/60/166115360.db2.gz SKABIZPPCHYRET-UHFFFAOYSA-N 0 0 182.169 2.724 10 30 AFEERN C=C(C)C(=O)c1ccc(C)cc1 39433861 166115375 /nfs/dbraw/zinc/11/53/75/166115375.db2.gz PNVVYDQOGSAAHV-UHFFFAOYSA-N 0 0 160.216 2.754 10 30 AFEERN C=C(C)C(=O)c1ccc(OCC)cc1 71500654 166115382 /nfs/dbraw/zinc/11/53/82/166115382.db2.gz IAPUIYQLEJQALI-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=C(C)C(=O)Oc1ccccc1Cl 14593016 166115397 /nfs/dbraw/zinc/11/53/97/166115397.db2.gz YKZMWXJHPKWFLS-UHFFFAOYSA-N 0 0 196.633 2.822 10 30 AFEERN C=C(C)CN(C)C(=O)C1=CCCCC1 334176850 166115951 /nfs/dbraw/zinc/11/59/51/166115951.db2.gz AHRYEKSBHKKPLJ-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=C(C)CC1(O)CCCCC1 104837532 166116066 /nfs/dbraw/zinc/11/60/66/166116066.db2.gz FJPCMDZCALCRTN-UHFFFAOYSA-N 0 0 154.253 2.648 10 30 AFEERN C=C(C)CC(=O)c1ccccc1 1726974 166116077 /nfs/dbraw/zinc/11/60/77/166116077.db2.gz FKSAYGREWVVCIZ-UHFFFAOYSA-N 0 0 160.216 2.836 10 30 AFEERN C=C(C)CC[C@@H](O)Cc1ccccc1 169145000 166116217 /nfs/dbraw/zinc/11/62/17/166116217.db2.gz DAIXONICEYHSBF-CYBMUJFWSA-N 0 0 190.286 2.946 10 30 AFEERN C=C(C)CC1=N[C@@H](C)O[C@H](C)S1 38337417 166116247 /nfs/dbraw/zinc/11/62/47/166116247.db2.gz WHKWFWWUQKBHLA-SFYZADRCSA-N 0 0 185.292 2.807 10 30 AFEERN C=C(C)CC(=O)[C@H](C)CC 34182932 166116254 /nfs/dbraw/zinc/11/62/54/166116254.db2.gz KMDXVUKDGWNMCU-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)CC(=O)c1ccc(F)cc1 71497404 166116423 /nfs/dbraw/zinc/11/64/23/166116423.db2.gz YOCLOGVTBQFHPY-UHFFFAOYSA-N 0 0 178.206 2.975 10 30 AFEERN C=C(C)CCOCC=C(C)C 5158808 166116429 /nfs/dbraw/zinc/11/64/29/166116429.db2.gz SBKPSGLYGQUMEX-UHFFFAOYSA-N 0 0 154.253 2.935 10 30 AFEERN C=C(C)CC[C@H](O)CCC 43657310 166116446 /nfs/dbraw/zinc/11/64/46/166116446.db2.gz HFKFDMJBVMFWBY-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN C=C(C)CC[C@@H](O)CCC 43657308 166116474 /nfs/dbraw/zinc/11/64/74/166116474.db2.gz HFKFDMJBVMFWBY-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN C=C(C)CC(=O)c1ccccc1OC 71500617 166116541 /nfs/dbraw/zinc/11/65/41/166116541.db2.gz VXPZBWPEDWKLKE-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=C(C)CC(=O)c1cccs1 71496049 166116544 /nfs/dbraw/zinc/11/65/44/166116544.db2.gz PQZQEZPECZNDIZ-UHFFFAOYSA-N 0 0 166.245 2.897 10 30 AFEERN C=C(C)CC1=N[C@H](C)O[C@H](C)S1 38337419 166116578 /nfs/dbraw/zinc/11/65/78/166116578.db2.gz WHKWFWWUQKBHLA-YUMQZZPRSA-N 0 0 185.292 2.807 10 30 AFEERN C=C(C)CC(=O)c1ccccc1F 71497402 166116722 /nfs/dbraw/zinc/11/67/22/166116722.db2.gz AKSJTPOJBMQFTC-UHFFFAOYSA-N 0 0 178.206 2.975 10 30 AFEERN C=C(C)CC[C@@]1(C(C)C)CO1 39103280 166116742 /nfs/dbraw/zinc/11/67/42/166116742.db2.gz QXLGUAYPQICRFS-JTQLQIEISA-N 0 0 154.253 2.768 10 30 AFEERN C=C(C)CCC(=O)CCC 36988242 166116908 /nfs/dbraw/zinc/11/69/08/166116908.db2.gz ZPKIFBVDYHRYAL-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN C=C(C)CC1C(=O)CCCC1=O 217864755 166116912 /nfs/dbraw/zinc/11/69/12/166116912.db2.gz TVIYLDKXXYEYLI-UHFFFAOYSA-N 0 0 166.220 2.518 10 30 AFEERN C=C(C)CC[C@H](O)C(C)(C)C 43657490 166116947 /nfs/dbraw/zinc/11/69/47/166116947.db2.gz XNOMFJQKBDRWHY-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)CCC(=O)C(C)(C)C 36683739 166117258 /nfs/dbraw/zinc/11/72/58/166117258.db2.gz JNIGJRUQZCNDEE-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(C)CC(C)(C)C[C@H](C)O 17412110 166117259 /nfs/dbraw/zinc/11/72/59/166117259.db2.gz QYNDBYTVHQFYHK-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)CCC[C@H](C)C=O 34617631 166117377 /nfs/dbraw/zinc/11/73/77/166117377.db2.gz SRLDRAQKTUVOIC-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)CC[C@H](O)Cc1ccccc1 169144908 166117399 /nfs/dbraw/zinc/11/73/99/166117399.db2.gz DAIXONICEYHSBF-ZDUSSCGKSA-N 0 0 190.286 2.946 10 30 AFEERN C=C(C)CC1=N[C@H](C)O[C@@H](C)S1 38337416 166117406 /nfs/dbraw/zinc/11/74/06/166117406.db2.gz WHKWFWWUQKBHLA-JGVFFNPUSA-N 0 0 185.292 2.807 10 30 AFEERN C=C(C)CC1=N[C@@H](C)O[C@@H](C)S1 38337414 166117418 /nfs/dbraw/zinc/11/74/18/166117418.db2.gz WHKWFWWUQKBHLA-HTQZYQBOSA-N 0 0 185.292 2.807 10 30 AFEERN C=C(C)CC(C)(C)C[C@@H](C)O 17412109 166117428 /nfs/dbraw/zinc/11/74/28/166117428.db2.gz QYNDBYTVHQFYHK-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)CC1CCC(O)CC1 62715783 166117449 /nfs/dbraw/zinc/11/74/49/166117449.db2.gz GXDHFRDQLLOBKL-UHFFFAOYSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)CC1=CCCCC1=O 32225317 166117490 /nfs/dbraw/zinc/11/74/90/166117490.db2.gz VTWMIJUSLDSTQJ-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=C(C)CC(=O)c1cccc(F)c1 71497406 166117509 /nfs/dbraw/zinc/11/75/09/166117509.db2.gz BWBMTCWOQIMFRD-UHFFFAOYSA-N 0 0 178.206 2.975 10 30 AFEERN C=C(C)CC[C@]1(C(C)C)CO1 39103281 166117530 /nfs/dbraw/zinc/11/75/30/166117530.db2.gz QXLGUAYPQICRFS-SNVBAGLBSA-N 0 0 154.253 2.768 10 30 AFEERN C=C(C)CC[C@@H](O)C(C)(C)C 43657491 166117618 /nfs/dbraw/zinc/11/76/18/166117618.db2.gz XNOMFJQKBDRWHY-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)CC(=O)c1cccc(OC)c1 71500618 166117670 /nfs/dbraw/zinc/11/76/70/166117670.db2.gz PPTMPUXOZNQRHD-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=C(C)CC(=O)c1ccc(OC)cc1 71500620 166117684 /nfs/dbraw/zinc/11/76/84/166117684.db2.gz WGFSWPVUFZAWIP-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=C(C)CCCCCC1OCCO1 43502441 166117722 /nfs/dbraw/zinc/11/77/22/166117722.db2.gz PAIRGHRXBFBKOW-UHFFFAOYSA-N 0 0 184.279 2.886 10 30 AFEERN C=C(C)CCCCC1(C)OCCO1 43502458 166117874 /nfs/dbraw/zinc/11/78/74/166117874.db2.gz ZMQOYRXVFUTUPL-UHFFFAOYSA-N 0 0 184.279 2.886 10 30 AFEERN C=C(C)CCOC(=O)C(C)(C)C 96336389 166117889 /nfs/dbraw/zinc/11/78/89/166117889.db2.gz FJEBKWNPJIZWKJ-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=C(C)CCc1ccc2c(c1)OCO2 43502509 166118048 /nfs/dbraw/zinc/11/80/48/166118048.db2.gz VSAPLKVVGNLFCF-UHFFFAOYSA-N 0 0 190.242 2.924 10 30 AFEERN C=C(C)CC(=O)[C@@H](C)CC 34182934 166118058 /nfs/dbraw/zinc/11/80/58/166118058.db2.gz KMDXVUKDGWNMCU-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)CCC(=O)C(C)C 34156265 166118077 /nfs/dbraw/zinc/11/80/77/166118077.db2.gz AFRMPVFYDOTUAB-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)CCc1cccc(O)c1 21988045 166118083 /nfs/dbraw/zinc/11/80/83/166118083.db2.gz OTKXVYHZHXOALK-UHFFFAOYSA-N 0 0 162.232 2.901 10 30 AFEERN C=C(C)CNc1ccccc1C#N 51753256 166121944 /nfs/dbraw/zinc/12/19/44/166121944.db2.gz IDUCYBGNBDREKU-UHFFFAOYSA-N 0 0 172.231 2.546 10 30 AFEERN C=C(C)CNc1ccccc1C 41572040 166122097 /nfs/dbraw/zinc/12/20/97/166122097.db2.gz DNWKTYZXPRNOIJ-UHFFFAOYSA-N 0 0 161.248 2.983 10 30 AFEERN C=C(C)CNc1ccc(OC)cc1 41571155 166122286 /nfs/dbraw/zinc/12/22/86/166122286.db2.gz ANWUMVRRRTVBFA-UHFFFAOYSA-N 0 0 177.247 2.683 10 30 AFEERN C=C(C)CNc1cccc(COC)c1 51753513 166122893 /nfs/dbraw/zinc/12/28/93/166122893.db2.gz HLEUMHQAABHICF-UHFFFAOYSA-N 0 0 191.274 2.821 10 30 AFEERN C=C(C)CNc1ccc(OC)c(C)c1 51753515 166122932 /nfs/dbraw/zinc/12/29/32/166122932.db2.gz GFVDBQOOVIYCJX-UHFFFAOYSA-N 0 0 191.274 2.992 10 30 AFEERN C=C(C)CNc1ccc2c(c1)OCC2 146805690 166123209 /nfs/dbraw/zinc/12/32/09/166123209.db2.gz IDQQSHJODMSUEM-UHFFFAOYSA-N 0 0 189.258 2.610 10 30 AFEERN C=C(C)CNc1cccc(OC)c1 41571430 166123464 /nfs/dbraw/zinc/12/34/64/166123464.db2.gz ASDDOUFEASNZKK-UHFFFAOYSA-N 0 0 177.247 2.683 10 30 AFEERN C=C(C)CNc1ccc(CC#N)cc1 51753680 166123502 /nfs/dbraw/zinc/12/35/02/166123502.db2.gz VAPDUUVMHHZMIG-UHFFFAOYSA-N 0 0 186.258 2.741 10 30 AFEERN C=C(C)CNc1ccc(C#N)cc1 49932769 166123568 /nfs/dbraw/zinc/12/35/68/166123568.db2.gz BRKNEWZSYBHWJJ-UHFFFAOYSA-N 0 0 172.231 2.546 10 30 AFEERN C=C(C)CNc1ccc(F)cc1F 41579731 166123623 /nfs/dbraw/zinc/12/36/23/166123623.db2.gz ZPKCQRYRRKURNI-UHFFFAOYSA-N 0 0 183.201 2.953 10 30 AFEERN C=C(C)CNc1ccc(N(C)C)cc1 58479056 166124098 /nfs/dbraw/zinc/12/40/98/166124098.db2.gz MEDBEVDOTCNMSR-UHFFFAOYSA-N 0 0 190.290 2.741 10 30 AFEERN C=C(C)C[C@H](O)C(C)(C)CC 17707542 166124412 /nfs/dbraw/zinc/12/44/12/166124412.db2.gz NKBIRDYRAFEOPK-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)C[C@@H]1Cc2ccccc2[C@H]1O 43659095 166124416 /nfs/dbraw/zinc/12/44/16/166124416.db2.gz JTUXYGTVJAVNQF-YPMHNXCESA-N 0 0 188.270 2.859 10 30 AFEERN C=C(C)CSCCCC#N 58263121 166124438 /nfs/dbraw/zinc/12/44/38/166124438.db2.gz HIEKKTCEUHXNBO-UHFFFAOYSA-N 0 0 155.266 2.599 10 30 AFEERN C=C(C)C[C@@H](C)OC(=O)C(C)C 2563376 166124462 /nfs/dbraw/zinc/12/44/62/166124462.db2.gz JJWWUTCHOAKZPR-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)C[C@@]1(C)CCCCO1 90755912 166124492 /nfs/dbraw/zinc/12/44/92/166124492.db2.gz RUNLXEKTLRQJKL-SNVBAGLBSA-N 0 0 154.253 2.912 10 30 AFEERN C=C(C)COc1cc(C)c(C)cc1N 41205444 166124538 /nfs/dbraw/zinc/12/45/38/166124538.db2.gz FTMYDMTZMWXCFA-UHFFFAOYSA-N 0 0 191.274 2.841 10 30 AFEERN C=C(C)COc1cccc(O)c1C 34962328 166124709 /nfs/dbraw/zinc/12/47/09/166124709.db2.gz WSEYLQQKEVBNPH-UHFFFAOYSA-N 0 0 178.231 2.656 10 30 AFEERN C=C(C)COc1c(C)cc(C)cc1N 41205442 166124800 /nfs/dbraw/zinc/12/48/00/166124800.db2.gz IRPLQJGTCAJGJQ-UHFFFAOYSA-N 0 0 191.274 2.841 10 30 AFEERN C=C(C)C[C@@H](O)c1ccc(C#N)cc1 75577761 166124864 /nfs/dbraw/zinc/12/48/64/166124864.db2.gz ORTWDXXMYMULNE-GFCCVEGCSA-N 0 0 187.242 2.558 10 30 AFEERN C=C(C)C[C@H]1CNc2ccccc2N1 39115333 166124872 /nfs/dbraw/zinc/12/48/72/166124872.db2.gz WPDTUIALRIBIED-JTQLQIEISA-N 0 0 188.274 2.859 10 30 AFEERN C=C(C)COc1ccc(CC#N)cc1 19474595 166124911 /nfs/dbraw/zinc/12/49/11/166124911.db2.gz WNLINRCJGMHDKQ-UHFFFAOYSA-N 0 0 187.242 2.708 10 30 AFEERN C=C(C)C[C@@H]1C[C@@H](C)CC[C@@H]1O 4759280 166125073 /nfs/dbraw/zinc/12/50/73/166125073.db2.gz RJWSHKYEBSYMIS-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C[C@H]1Cc2ccccc2[C@@H]1O 43659094 166125079 /nfs/dbraw/zinc/12/50/79/166125079.db2.gz JTUXYGTVJAVNQF-WCQYABFASA-N 0 0 188.270 2.859 10 30 AFEERN C=C(C)COc1ccccc1[C@@H](C)O 35627187 166125192 /nfs/dbraw/zinc/12/51/92/166125192.db2.gz OGXJSZUZZBZABD-SNVBAGLBSA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C)COc1ccc(Cl)cc1N 41209206 166125204 /nfs/dbraw/zinc/12/52/04/166125204.db2.gz UOYIVFCZQHEPNH-UHFFFAOYSA-N 0 0 197.665 2.877 10 30 AFEERN C=C(C)C[C@@H](O)C(C)(C)CC 17707545 166125216 /nfs/dbraw/zinc/12/52/16/166125216.db2.gz NKBIRDYRAFEOPK-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)Cc1ccc(C)nc1 43502520 166125236 /nfs/dbraw/zinc/12/52/36/166125236.db2.gz QPBPFHPJDGPEJS-UHFFFAOYSA-N 0 0 147.221 2.509 10 30 AFEERN C=C(C)C[C@H](CC)C(C)=O 38004196 166125249 /nfs/dbraw/zinc/12/52/49/166125249.db2.gz SOKYDGYPQGJFMV-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)C[C@H](O)c1ccc(C#N)cc1 75577760 166125259 /nfs/dbraw/zinc/12/52/59/166125259.db2.gz ORTWDXXMYMULNE-LBPRGKRZSA-N 0 0 187.242 2.558 10 30 AFEERN C=C(C)C[C@@H](CC)C(C)=O 38004197 166125292 /nfs/dbraw/zinc/12/52/92/166125292.db2.gz SOKYDGYPQGJFMV-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)C[C@H]1CCCCC1=O 36466255 166125303 /nfs/dbraw/zinc/12/53/03/166125303.db2.gz JQWQZUBISFFUJF-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C[C@@H]1C[C@@H](C)CCC1=O 39184847 166125306 /nfs/dbraw/zinc/12/53/06/166125306.db2.gz KKIPCTDIKLLDQX-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C[C@H](C)OC(=O)C(C)C 33606918 166125363 /nfs/dbraw/zinc/12/53/63/166125363.db2.gz JJWWUTCHOAKZPR-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)COc1ccc(C)cc1N 41199862 166125392 /nfs/dbraw/zinc/12/53/92/166125392.db2.gz ZXXIZIYWIMRXQT-UHFFFAOYSA-N 0 0 177.247 2.532 10 30 AFEERN C=C(C)C[C@H]1CCCC(=O)C1 39247595 166125537 /nfs/dbraw/zinc/12/55/37/166125537.db2.gz ZQAMIZCYCZELLA-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C[C@H](O)CC(C)(C)C 17408447 166125560 /nfs/dbraw/zinc/12/55/60/166125560.db2.gz OTYWAQAEFMMVMF-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)COc1cccc([C@@H](C)O)c1 35627898 166125615 /nfs/dbraw/zinc/12/56/15/166125615.db2.gz BAWCZRRZUMYXKY-SNVBAGLBSA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C)C[C@@](C)(O)CCC 2508041 166125621 /nfs/dbraw/zinc/12/56/21/166125621.db2.gz LGIOTEKOCNBIKO-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN C=C(C)C[C@@H](O)c1ccccc1 36407664 166125708 /nfs/dbraw/zinc/12/57/08/166125708.db2.gz MZMDMSHZBSFWOL-LLVKDONJSA-N 0 0 162.232 2.686 10 30 AFEERN C=C(C)CSc1ccc(N)cc1 36472362 166125783 /nfs/dbraw/zinc/12/57/83/166125783.db2.gz OMLYREPSOAVZBQ-UHFFFAOYSA-N 0 0 179.288 2.937 10 30 AFEERN C=C(C)C[C@@H]1CNc2ccccc2N1 39115332 166125809 /nfs/dbraw/zinc/12/58/09/166125809.db2.gz WPDTUIALRIBIED-SNVBAGLBSA-N 0 0 188.274 2.859 10 30 AFEERN C=C(C)COc1ccc(C#N)cc1 19516025 166125948 /nfs/dbraw/zinc/12/59/48/166125948.db2.gz HEPOTLYLJSVSSS-UHFFFAOYSA-N 0 0 173.215 2.513 10 30 AFEERN C=C(C)C[C@@H]1CCCCC1=O 36466254 166125957 /nfs/dbraw/zinc/12/59/57/166125957.db2.gz JQWQZUBISFFUJF-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C[C@H](O)c1ccccc1 38338189 166126104 /nfs/dbraw/zinc/12/61/04/166126104.db2.gz MZMDMSHZBSFWOL-NSHDSACASA-N 0 0 162.232 2.686 10 30 AFEERN C=C(C)COc1cccc([C@H](C)O)c1 35627897 166126150 /nfs/dbraw/zinc/12/61/50/166126150.db2.gz BAWCZRRZUMYXKY-JTQLQIEISA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C)C[C@@H]1C[C@H](C)CC[C@@H]1O 4759279 166126183 /nfs/dbraw/zinc/12/61/83/166126183.db2.gz RJWSHKYEBSYMIS-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C[C@@H]1Cc2ccccc2[C@@H]1O 43659093 166126209 /nfs/dbraw/zinc/12/62/09/166126209.db2.gz JTUXYGTVJAVNQF-DGCLKSJQSA-N 0 0 188.270 2.859 10 30 AFEERN C=C(C)Cc1cc(OC)ccc1O 37627988 166126216 /nfs/dbraw/zinc/12/62/16/166126216.db2.gz FRHJORIYHZOLBE-UHFFFAOYSA-N 0 0 178.231 2.519 10 30 AFEERN C=C(C)COc1ccccc1C#N 19512328 166126221 /nfs/dbraw/zinc/12/62/21/166126221.db2.gz DERBRTIWMTUIMF-UHFFFAOYSA-N 0 0 173.215 2.513 10 30 AFEERN C=C(C)C[C@H]1Cc2ccccc2[C@H]1O 43659096 166126269 /nfs/dbraw/zinc/12/62/69/166126269.db2.gz JTUXYGTVJAVNQF-AAEUAGOBSA-N 0 0 188.270 2.859 10 30 AFEERN C=C(C)C[C@]1(C)CCCCO1 90755911 166126284 /nfs/dbraw/zinc/12/62/84/166126284.db2.gz RUNLXEKTLRQJKL-JTQLQIEISA-N 0 0 154.253 2.912 10 30 AFEERN C=C(C)C[C@@H](O)CC(C)(C)C 17408445 166126295 /nfs/dbraw/zinc/12/62/95/166126295.db2.gz OTYWAQAEFMMVMF-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)COc1cc(C)ccc1N 39089979 166126319 /nfs/dbraw/zinc/12/63/19/166126319.db2.gz WKGMJJSUFZIXFC-UHFFFAOYSA-N 0 0 177.247 2.532 10 30 AFEERN C=C(C)CSc1ccccc1N 19519188 166126348 /nfs/dbraw/zinc/12/63/48/166126348.db2.gz ZOZTYIQLXZTSDR-UHFFFAOYSA-N 0 0 179.288 2.937 10 30 AFEERN C=C(C)C[C@H]1C[C@@H](C)CC[C@@H]1O 1695138 166126377 /nfs/dbraw/zinc/12/63/77/166126377.db2.gz RJWSHKYEBSYMIS-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)Cc1c(O)cccc1N(C)C 5631460 166126412 /nfs/dbraw/zinc/12/64/12/166126412.db2.gz OMYKBZKLWDWODQ-UHFFFAOYSA-N 0 0 191.274 2.577 10 30 AFEERN C=C(C)C[C@H]1C[C@H](C)CC[C@@H]1O 17325742 166126436 /nfs/dbraw/zinc/12/64/36/166126436.db2.gz RJWSHKYEBSYMIS-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C[C@](C)(O)CCC 32225701 166126446 /nfs/dbraw/zinc/12/64/46/166126446.db2.gz LGIOTEKOCNBIKO-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN C=C(C)COc1ccc(NC)cc1 38056633 166126449 /nfs/dbraw/zinc/12/64/49/166126449.db2.gz CWQROYRYSFEUTL-UHFFFAOYSA-N 0 0 177.247 2.683 10 30 AFEERN C=C(C)COc1ccccc1[C@H](C)O 35627186 166126456 /nfs/dbraw/zinc/12/64/56/166126456.db2.gz OGXJSZUZZBZABD-JTQLQIEISA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C)Cc1ccc(OC)cc1O 95935723 166126755 /nfs/dbraw/zinc/12/67/55/166126755.db2.gz YQLXTXIQHHTMBF-UHFFFAOYSA-N 0 0 178.231 2.519 10 30 AFEERN C=C(C)Cc1cccnc1C 43502518 166126763 /nfs/dbraw/zinc/12/67/63/166126763.db2.gz BTXSCQARKXNTAM-UHFFFAOYSA-N 0 0 147.221 2.509 10 30 AFEERN C=C(C)Cc1cnccc1C 43502523 166126777 /nfs/dbraw/zinc/12/67/77/166126777.db2.gz YIMGBOICOWTULF-UHFFFAOYSA-N 0 0 147.221 2.509 10 30 AFEERN C=C(C)Cc1ccc(COC)cc1 43502489 166126874 /nfs/dbraw/zinc/12/68/74/166126874.db2.gz AQAONUKLEPXHST-UHFFFAOYSA-N 0 0 176.259 2.952 10 30 AFEERN C=C(C)Cc1ccccc1C=O 39060492 166126923 /nfs/dbraw/zinc/12/69/23/166126923.db2.gz MINFNPHEEYQZPH-UHFFFAOYSA-N 0 0 160.216 2.618 10 30 AFEERN C=C(C)Cc1cncc(C)c1 43502525 166126999 /nfs/dbraw/zinc/12/69/99/166126999.db2.gz MWQQPRGJNMEVKA-UHFFFAOYSA-N 0 0 147.221 2.509 10 30 AFEERN C=C(C)Cc1ccccc1O 2016370 166127079 /nfs/dbraw/zinc/12/70/79/166127079.db2.gz GZPLHVIVEJVVTD-UHFFFAOYSA-N 0 0 148.205 2.511 10 30 AFEERN C=C(C)Cc1ccccc1N(C)C 43502427 166127132 /nfs/dbraw/zinc/12/71/32/166127132.db2.gz KOJGVQXGLPKXNR-UHFFFAOYSA-N 0 0 175.275 2.871 10 30 AFEERN C=C(C)Cc1cccc2c1NCC2 34728450 166127186 /nfs/dbraw/zinc/12/71/86/166127186.db2.gz ODFDFTNFXFOEJB-UHFFFAOYSA-N 0 0 173.259 2.773 10 30 AFEERN C=C(C)Cc1ccc2c(c1)CCO2 43502405 166127198 /nfs/dbraw/zinc/12/71/98/166127198.db2.gz RBPVRRZSRJKMMG-UHFFFAOYSA-N 0 0 174.243 2.740 10 30 AFEERN C=C(C)Cn1ccc(CC)c1 39079989 166127208 /nfs/dbraw/zinc/12/72/08/166127208.db2.gz IVTVIQVICZHTDR-UHFFFAOYSA-N 0 0 149.237 2.627 10 30 AFEERN C=C(C)Cc1cccc(O)c1 95738981 166127228 /nfs/dbraw/zinc/12/72/28/166127228.db2.gz QOWWLFGRKPNQEC-UHFFFAOYSA-N 0 0 148.205 2.511 10 30 AFEERN C=C(C)Cc1cccc(OC)c1OC 43208785 166127285 /nfs/dbraw/zinc/12/72/85/166127285.db2.gz HTRQNSABLLAPRS-UHFFFAOYSA-N 0 0 192.258 2.822 10 30 AFEERN C=C(C)Cn1cccc1CC 38324810 166127389 /nfs/dbraw/zinc/12/73/89/166127389.db2.gz IWOMJSGKOCEMNJ-UHFFFAOYSA-N 0 0 149.237 2.627 10 30 AFEERN C=C(C)Cc1cnc(C(C)C)o1 39104007 166127512 /nfs/dbraw/zinc/12/75/12/166127512.db2.gz NRJRLVVMJXVKMA-UHFFFAOYSA-N 0 0 165.236 2.917 10 30 AFEERN C=C(C)Cc1ccc(F)cc1OC 43502465 166127532 /nfs/dbraw/zinc/12/75/32/166127532.db2.gz YXPYHEGVKPXEMZ-UHFFFAOYSA-N 0 0 180.222 2.953 10 30 AFEERN C=C(C)Cn1ccc2cccnc21 211806336 166127562 /nfs/dbraw/zinc/12/75/62/166127562.db2.gz ASWUGIWSLFLTJD-UHFFFAOYSA-N 0 0 172.231 2.612 10 30 AFEERN C=C(C)Cc1ccc(O)cc1N(C)C 75580231 166127764 /nfs/dbraw/zinc/12/77/64/166127764.db2.gz PZDWYJROEDZXCL-UHFFFAOYSA-N 0 0 191.274 2.577 10 30 AFEERN C=C(C)[C@@H]1CCC[C@]1(C)C=O 75539775 166128045 /nfs/dbraw/zinc/12/80/45/166128045.db2.gz MKQNKINRIJRKLP-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@](C)(C=O)C(C)(C)C 75541834 166128051 /nfs/dbraw/zinc/12/80/51/166128051.db2.gz MQLUTSRKBSNGBJ-SNVBAGLBSA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C)[C@@H]1[C@]2(C)CCC[C@]12C=C=O 256261187 166128102 /nfs/dbraw/zinc/12/81/02/166128102.db2.gz CQZUNOPZEIGDQZ-WOPDTQHZSA-N 0 0 176.259 2.757 10 30 AFEERN C=C(C)[C@@H]1CC[C@](C)(OC(C)=O)[C@@H]1C 135899419 166128192 /nfs/dbraw/zinc/12/81/92/166128192.db2.gz NKWCOKZUKIEZAR-USWWRNFRSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@@]1(C)CC[C@H]1C(C)=O 39069863 166128292 /nfs/dbraw/zinc/12/82/92/166128292.db2.gz WOJWNLZDXXNTAA-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@H]1CCC[C@@]1(C)C=O 75539773 166128345 /nfs/dbraw/zinc/12/83/45/166128345.db2.gz MKQNKINRIJRKLP-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@H]1C[C@H](COC(C)=O)C1(C)C 14659683 166128423 /nfs/dbraw/zinc/12/84/23/166128423.db2.gz XUCVWTVHEYSKFF-MNOVXSKESA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)[C@@H]1CC[C@@](C)(C=O)C1 34190915 166128550 /nfs/dbraw/zinc/12/85/50/166128550.db2.gz BFFAMIWMCMTBGV-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@H]1CC=C(C2OCCO2)CC1 44231760 166128625 /nfs/dbraw/zinc/12/86/25/166128625.db2.gz NLJONZHBAFEYSN-JTQLQIEISA-N 0 0 194.274 2.662 10 30 AFEERN C=C(C)[C@@H]1CC[C@](C)(C=O)C1 34190918 166128722 /nfs/dbraw/zinc/12/87/22/166128722.db2.gz BFFAMIWMCMTBGV-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@](C)(Cl)C(=O)C1CCC1 39055066 166128900 /nfs/dbraw/zinc/12/89/00/166128900.db2.gz NJHWQWRNZFCQTG-SNVBAGLBSA-N 0 0 186.682 2.929 10 30 AFEERN C=C(C)[C@@]1(C)CC[C@@H]1C(C)=O 39069861 166128903 /nfs/dbraw/zinc/12/89/03/166128903.db2.gz WOJWNLZDXXNTAA-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@H]1CC[C@@](C)(OC(C)=O)[C@@H]1C 104369260 166129070 /nfs/dbraw/zinc/12/90/70/166129070.db2.gz NKWCOKZUKIEZAR-ADEWGFFLSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C=O)CC=C(C)C 100495477 166129110 /nfs/dbraw/zinc/12/91/10/166129110.db2.gz PAIVGFRXYIGODL-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN C=C(C)[C@H](O)[C@H](C)c1ccccc1 34060812 166129193 /nfs/dbraw/zinc/12/91/93/166129193.db2.gz PDIUSCOUFAVFTC-PWSUYJOCSA-N 0 0 176.259 2.727 10 30 AFEERN C=C(C)[C@@H]1COC(C)(C)C1=C 104846701 166129375 /nfs/dbraw/zinc/12/93/75/166129375.db2.gz SDTQJKGEVCEECX-VIFPVBQESA-N 0 0 152.237 2.544 10 30 AFEERN C=C(C)[C@H]1CC[C@@](C)(C=O)C1 34190916 166129423 /nfs/dbraw/zinc/12/94/23/166129423.db2.gz BFFAMIWMCMTBGV-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@H]1CCC(C)(C)C(=O)C1 104843086 166129612 /nfs/dbraw/zinc/12/96/12/166129612.db2.gz LYQLSAZMYDEZEP-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@H](C)C(C)(C)C#N 75525759 166129724 /nfs/dbraw/zinc/12/97/24/166129724.db2.gz NSJZTEMHBMVZJG-QMMMGPOBSA-N 0 0 137.226 2.748 10 30 AFEERN C=C(C)[C@@H]1CCC[C@@]1(C)C=O 75539770 166129843 /nfs/dbraw/zinc/12/98/43/166129843.db2.gz MKQNKINRIJRKLP-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@H]1CC[C@](C)(OC(C)=O)[C@H]1C 253485284 166129904 /nfs/dbraw/zinc/12/99/04/166129904.db2.gz NKWCOKZUKIEZAR-DLOVCJGASA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)[C@H]1C(C)=O 32147341 166130040 /nfs/dbraw/zinc/13/00/40/166130040.db2.gz AXWIGZGFYQKXLU-LSJOCFKGSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)[C@H]1CCC[C@]1(C)C=O 75539777 166130169 /nfs/dbraw/zinc/13/01/69/166130169.db2.gz MKQNKINRIJRKLP-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@H]1C(C)=O 32147336 166130172 /nfs/dbraw/zinc/13/01/72/166130172.db2.gz AXWIGZGFYQKXLU-MIMYLULJSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)[C@H](O)[C@@H](C)c1ccccc1 38760671 166130183 /nfs/dbraw/zinc/13/01/83/166130183.db2.gz PDIUSCOUFAVFTC-JQWIXIFHSA-N 0 0 176.259 2.727 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H]2C[C@@]1(CO)CC2=C 34583322 166130315 /nfs/dbraw/zinc/13/03/15/166130315.db2.gz KTDXEYCDAPPSLV-FRRDWIJNSA-N 0 0 192.302 2.917 10 30 AFEERN C=C(C)[C@H](O)/C=C/c1ccc(C)cc1 7992206 166130733 /nfs/dbraw/zinc/13/07/33/166130733.db2.gz WEVCHXQJLPJWKZ-MMQHEFTJSA-N 0 0 188.270 2.945 10 30 AFEERN C=C(C)[C@H]1CC[C@](C)(C=O)C1 34190919 166130784 /nfs/dbraw/zinc/13/07/84/166130784.db2.gz BFFAMIWMCMTBGV-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@H]1C[C@@H](COC(C)=O)C1(C)C 14659680 166131217 /nfs/dbraw/zinc/13/12/17/166131217.db2.gz XUCVWTVHEYSKFF-WDEREUQCSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)c1cccc(C)c1O 39240332 166131265 /nfs/dbraw/zinc/13/12/65/166131265.db2.gz RKBLZKOIUZETQS-UHFFFAOYSA-N 0 0 148.205 2.734 10 30 AFEERN C=C(C)c1sccc1C=O 39616926 166131442 /nfs/dbraw/zinc/13/14/42/166131442.db2.gz HSUFCYGBBIIPGN-UHFFFAOYSA-N 0 0 152.218 2.594 10 30 AFEERN C=C(C)[C@H]1[C@]2(C)CCC[C@]12C=C=O 211663111 166131483 /nfs/dbraw/zinc/13/14/83/166131483.db2.gz CQZUNOPZEIGDQZ-SRVKXCTJSA-N 0 0 176.259 2.757 10 30 AFEERN C=C(C)[C@](C)(C=O)C(C)(C)C 75541839 166131547 /nfs/dbraw/zinc/13/15/47/166131547.db2.gz MQLUTSRKBSNGBJ-JTQLQIEISA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C)n1ccc(C)c1C 36455705 166131593 /nfs/dbraw/zinc/13/15/93/166131593.db2.gz ZZNDNFGWTVXNDM-UHFFFAOYSA-N 0 0 135.210 2.596 10 30 AFEERN C=C(C)c1cc(Br)ccn1 72192427 166131623 /nfs/dbraw/zinc/13/16/23/166131623.db2.gz AJUPQSLLCUIRBT-UHFFFAOYSA-N 0 0 198.063 2.877 10 30 AFEERN C=C(C)n1ccc2c1CCCC2 38844134 166131663 /nfs/dbraw/zinc/13/16/63/166131663.db2.gz QQXBOCHHIINTLF-UHFFFAOYSA-N 0 0 161.248 2.858 10 30 AFEERN C=C(C)c1cnc(C(C)C)cn1 39103797 166131778 /nfs/dbraw/zinc/13/17/78/166131778.db2.gz RVKVUYGBDYOOJD-UHFFFAOYSA-N 0 0 162.236 2.633 10 30 AFEERN C=C(C)c1nc2ccccc2o1 39204075 166131791 /nfs/dbraw/zinc/13/17/91/166131791.db2.gz QHHXFJXXOZLRAB-UHFFFAOYSA-N 0 0 159.188 2.861 10 30 AFEERN C=C(C)c1cccc(Br)n1 72192428 166131963 /nfs/dbraw/zinc/13/19/63/166131963.db2.gz JZLFPJRTKYPEMP-UHFFFAOYSA-N 0 0 198.063 2.877 10 30 AFEERN C=C(C)c1ccccc1OC 32146887 166131989 /nfs/dbraw/zinc/13/19/89/166131989.db2.gz MERMDWYLTGRJPN-UHFFFAOYSA-N 0 0 148.205 2.728 10 30 AFEERN C=C(C)c1ccc(OC)cc1F 114039697 166132006 /nfs/dbraw/zinc/13/20/06/166132006.db2.gz XUOVYCDDWBUKRX-UHFFFAOYSA-N 0 0 166.195 2.867 10 30 AFEERN C=C(C)c1cc(C)ccc1N 34197329 166132032 /nfs/dbraw/zinc/13/20/32/166132032.db2.gz GDDDOCCLCLLZBD-UHFFFAOYSA-N 0 0 147.221 2.610 10 30 AFEERN C=C(C)c1cccc(C=O)c1 45793442 166132071 /nfs/dbraw/zinc/13/20/71/166132071.db2.gz MLZRUSKIYQALJC-UHFFFAOYSA-N 0 0 146.189 2.532 10 30 AFEERN C=C(C)n1c(C)cc(C)c1C 38844133 166132080 /nfs/dbraw/zinc/13/20/80/166132080.db2.gz ONLWLPVMKZDWNK-UHFFFAOYSA-N 0 0 149.237 2.904 10 30 AFEERN C=C(C)[C@H]1COC(C)(C)C1=C 104846703 166132085 /nfs/dbraw/zinc/13/20/85/166132085.db2.gz SDTQJKGEVCEECX-SECBINFHSA-N 0 0 152.237 2.544 10 30 AFEERN C=C(C)c1cccc(O)c1F 79057851 166132088 /nfs/dbraw/zinc/13/20/88/166132088.db2.gz KFOSNZVDSDRTSH-UHFFFAOYSA-N 0 0 152.168 2.564 10 30 AFEERN C=C(C)c1ccccc1C=O 39120397 166132140 /nfs/dbraw/zinc/13/21/40/166132140.db2.gz BBXDYSHCNKJGJK-UHFFFAOYSA-N 0 0 146.189 2.532 10 30 AFEERN C=C(C)c1cccc(N)c1C 90755896 166132217 /nfs/dbraw/zinc/13/22/17/166132217.db2.gz BXMAHVHRBZCSOZ-UHFFFAOYSA-N 0 0 147.221 2.610 10 30 AFEERN C=C(C)c1ccc(C)c(O)c1 14588614 166132237 /nfs/dbraw/zinc/13/22/37/166132237.db2.gz HHTWOMMSBMNRKP-UHFFFAOYSA-N 0 0 148.205 2.734 10 30 in-vitro AFEERN C=C(C)c1ccc(C(C)=O)cc1 32188846 166132256 /nfs/dbraw/zinc/13/22/56/166132256.db2.gz WMVUYUVKNFDYAF-UHFFFAOYSA-N 0 0 160.216 2.922 10 30 AFEERN C=C(C)[C@]1(C)CC[C@@H]1C(C)=O 39069860 166132296 /nfs/dbraw/zinc/13/22/96/166132296.db2.gz WOJWNLZDXXNTAA-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)c1cccc(C=O)c1C 45793348 166132328 /nfs/dbraw/zinc/13/23/28/166132328.db2.gz QXKRUIJCDSTXHE-UHFFFAOYSA-N 0 0 160.216 2.841 10 30 AFEERN C=C(C)[C@]1(C)CC[C@H]1C(C)=O 39069862 166132377 /nfs/dbraw/zinc/13/23/77/166132377.db2.gz WOJWNLZDXXNTAA-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)c1ccnc(Br)c1 72192426 166132393 /nfs/dbraw/zinc/13/23/93/166132393.db2.gz QOSXAGUGHKNVHJ-UHFFFAOYSA-N 0 0 198.063 2.877 10 30 AFEERN C=C(C)c1ccccc1C(C)=O 34301703 166132447 /nfs/dbraw/zinc/13/24/47/166132447.db2.gz XSYHCXKRVZRBJP-UHFFFAOYSA-N 0 0 160.216 2.922 10 30 AFEERN C=C(C)c1nc2ccccc2[nH]1 45238604 166132494 /nfs/dbraw/zinc/13/24/94/166132494.db2.gz IJFUHZMFCIIOCD-UHFFFAOYSA-N 0 0 158.204 2.596 10 30 AFEERN C=C(C)n1cc(C)cc1C 39078154 166132617 /nfs/dbraw/zinc/13/26/17/166132617.db2.gz ORSQZISZSNZLLU-UHFFFAOYSA-N 0 0 135.210 2.596 10 30 AFEERN C=C(C)c1ccc(Br)cn1 72192429 166132683 /nfs/dbraw/zinc/13/26/83/166132683.db2.gz ZDAOSHHGHWFYRW-UHFFFAOYSA-N 0 0 198.063 2.877 10 30 AFEERN C=C(C)n1c(C)ccc1C 39078153 166132727 /nfs/dbraw/zinc/13/27/27/166132727.db2.gz CSCQYPNMGKDZNL-UHFFFAOYSA-N 0 0 135.210 2.596 10 30 AFEERN C=C(C)c1ccc(O)c(C)c1 39208719 166132798 /nfs/dbraw/zinc/13/27/98/166132798.db2.gz UITUMGKYHZMNKN-UHFFFAOYSA-N 0 0 148.205 2.734 10 30 AFEERN C=C(C)c1cncc(C)c1C 95932110 166132893 /nfs/dbraw/zinc/13/28/93/166132893.db2.gz FDYJYWQKWJCBMU-UHFFFAOYSA-N 0 0 147.221 2.732 10 30 AFEERN C=C(C)n1c(C)nc2ccccc21 95922612 166132903 /nfs/dbraw/zinc/13/29/03/166132903.db2.gz CVZJOPHAGAPBNR-UHFFFAOYSA-N 0 0 172.231 2.835 10 30 AFEERN C=C(C)[C@H]1[C@]2(C=C=O)CCC[C@]12C 256261180 166132929 /nfs/dbraw/zinc/13/29/29/166132929.db2.gz CQZUNOPZEIGDQZ-IJLUTSLNSA-N 0 0 176.259 2.757 10 30 AFEERN C=C(C)c1cccc(N(C)C)c1 66325565 166133090 /nfs/dbraw/zinc/13/30/90/166133090.db2.gz XXTKOTBGONGHJQ-UHFFFAOYSA-N 0 0 161.248 2.786 10 30 AFEERN C=C(C)c1cncc(C(C)C)n1 14591757 166133126 /nfs/dbraw/zinc/13/31/26/166133126.db2.gz PCTYKJNZAZUCLN-UHFFFAOYSA-N 0 0 162.236 2.633 10 30 AFEERN C=C(C)c1ccc(C)o1 82762105 166133145 /nfs/dbraw/zinc/13/31/45/166133145.db2.gz NNTUPAINNBMOFI-UHFFFAOYSA-N 0 0 122.167 2.621 10 30 AFEERN C=C(C)c1cc(N)ccc1C 95922496 166133166 /nfs/dbraw/zinc/13/31/66/166133166.db2.gz URTYQGWXYDWYDS-UHFFFAOYSA-N 0 0 147.221 2.610 10 30 AFEERN C=C(C)[C@](C)(Cl)C(=O)C1CCC1 39055065 166133264 /nfs/dbraw/zinc/13/32/64/166133264.db2.gz NJHWQWRNZFCQTG-JTQLQIEISA-N 0 0 186.682 2.929 10 30 AFEERN C=C(CCO)/C(=C/CC)CC 22003118 166133791 /nfs/dbraw/zinc/13/37/91/166133791.db2.gz IRRBFNWODXCQPG-UXBLZVDNSA-N 0 0 154.253 2.671 10 30 AFEERN C=C(CCCC)[C@H](C)C=O 75527941 166133942 /nfs/dbraw/zinc/13/39/42/166133942.db2.gz JOXCFLPZEXXGQA-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(CC)C(=O)OCCC(C)C 5767949 166133998 /nfs/dbraw/zinc/13/39/98/166133998.db2.gz GEXMFPBAIYGVEL-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=C(CC)CC[C@@H](C)C=O 38415738 166134004 /nfs/dbraw/zinc/13/40/04/166134004.db2.gz XGSCHOJSMVZHNU-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(CC)c1ccccc1N 39038175 166134083 /nfs/dbraw/zinc/13/40/83/166134083.db2.gz ZLAKJVYSXLRGSJ-UHFFFAOYSA-N 0 0 147.221 2.692 10 30 AFEERN C=C(CCCC)CC(C)=O 39069022 166134311 /nfs/dbraw/zinc/13/43/11/166134311.db2.gz UKZKMRGYMWHKOD-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN C=C(CC)c1ccc(C=O)cc1 39060490 166134343 /nfs/dbraw/zinc/13/43/43/166134343.db2.gz XSLKVHNWHHJAGI-UHFFFAOYSA-N 0 0 160.216 2.922 10 30 AFEERN C=C(CC)c1ccccc1C=O 38324870 166134377 /nfs/dbraw/zinc/13/43/77/166134377.db2.gz KQCUVBPNCZFQLY-UHFFFAOYSA-N 0 0 160.216 2.922 10 30 AFEERN C=C(CC)c1ccccn1 33638465 166134412 /nfs/dbraw/zinc/13/44/12/166134412.db2.gz UMRYOLDOKZBWKJ-UHFFFAOYSA-N 0 0 133.194 2.505 10 30 AFEERN C=C(CCCCC)C(C)=O 1850211 166134445 /nfs/dbraw/zinc/13/44/45/166134445.db2.gz VBZQKPYXKJXTHZ-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 endogenous,in-man AFEERN C=C(CCCC)[C@@H](C)C=O 75527939 166134542 /nfs/dbraw/zinc/13/45/42/166134542.db2.gz JOXCFLPZEXXGQA-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN C=C(CC)Cc1ccc2nccn2c1 34277074 166134599 /nfs/dbraw/zinc/13/45/99/166134599.db2.gz DDEBSIHPCRAYER-UHFFFAOYSA-N 0 0 186.258 2.843 10 30 AFEERN C=C(CC)c1nc2ccccc2[nH]1 95923993 166134613 /nfs/dbraw/zinc/13/46/13/166134613.db2.gz JRFPTWHUHCRSRR-UHFFFAOYSA-N 0 0 172.231 2.986 10 30 AFEERN C=C(Cl)Cc1cc(OC)ccc1O 75600983 166135554 /nfs/dbraw/zinc/13/55/54/166135554.db2.gz RQWAIVWTVDMLKS-UHFFFAOYSA-N 0 0 198.649 2.696 10 30 AFEERN C=C(Cl)COc1ccccc1O 36896866 166135762 /nfs/dbraw/zinc/13/57/62/166135762.db2.gz MBAXMDPWVBBXBJ-UHFFFAOYSA-N 0 0 184.622 2.524 10 30 AFEERN C=C(Cl)COc1ccc(NC)cc1 38056635 166135934 /nfs/dbraw/zinc/13/59/34/166135934.db2.gz CARUJMFWUFXOSA-UHFFFAOYSA-N 0 0 197.665 2.860 10 30 AFEERN C=C(Cl)CNc1ccccc1C#N 37681058 166136429 /nfs/dbraw/zinc/13/64/29/166136429.db2.gz ORDPFFZAVGHDFZ-UHFFFAOYSA-N 0 0 192.649 2.723 10 30 AFEERN C=C(Cl)CNc1ccc(OC)cc1 37488448 166136667 /nfs/dbraw/zinc/13/66/67/166136667.db2.gz GWQDUKLMLUEJCC-UHFFFAOYSA-N 0 0 197.665 2.860 10 30 AFEERN C=C(Cl)CNc1ccccc1OC 37488431 166136848 /nfs/dbraw/zinc/13/68/48/166136848.db2.gz QZSXSFGLWPUYON-UHFFFAOYSA-N 0 0 197.665 2.860 10 30 AFEERN C=C(Cl)CCC(=O)OC(C)(C)C 96342020 166136936 /nfs/dbraw/zinc/13/69/36/166136936.db2.gz CHNRTMZCVRERPL-UHFFFAOYSA-N 0 0 190.670 2.861 10 30 AFEERN C=C(Cl)COc1cccc(O)c1C 36896647 166136953 /nfs/dbraw/zinc/13/69/53/166136953.db2.gz CPXZLHUUIBVXCU-UHFFFAOYSA-N 0 0 198.649 2.832 10 30 AFEERN C=C(Cl)C[C@@H]1CCCCC1=O 38949626 166137209 /nfs/dbraw/zinc/13/72/09/166137209.db2.gz ZUYLXMFDRQRZNL-QMMMGPOBSA-N 0 0 172.655 2.888 10 30 AFEERN C=C(Cl)CNc1ccccc1F 37488472 166137718 /nfs/dbraw/zinc/13/77/18/166137718.db2.gz PHISWFAVDJLNOO-UHFFFAOYSA-N 0 0 185.629 2.990 10 30 AFEERN C=C(Cl)COc1cccc(O)c1 36896982 166137733 /nfs/dbraw/zinc/13/77/33/166137733.db2.gz SUEDRGQCTMWXCB-UHFFFAOYSA-N 0 0 184.622 2.524 10 30 AFEERN C=C(Cl)C[C@H]1CCCCC1=O 38949628 166137976 /nfs/dbraw/zinc/13/79/76/166137976.db2.gz ZUYLXMFDRQRZNL-MRVPVSSYSA-N 0 0 172.655 2.888 10 30 AFEERN C=C(Cl)CNc1ccc(F)cc1 37488438 166137986 /nfs/dbraw/zinc/13/79/86/166137986.db2.gz MCBBHVOIRJMJRS-UHFFFAOYSA-N 0 0 185.629 2.990 10 30 AFEERN C=C(Cl)CNc1cccc(OC)c1 37488429 166137989 /nfs/dbraw/zinc/13/79/89/166137989.db2.gz LFNTYBOGSMMSAT-UHFFFAOYSA-N 0 0 197.665 2.860 10 30 AFEERN C=C(Cl)COc1ccc(O)cc1 36896761 166138012 /nfs/dbraw/zinc/13/80/12/166138012.db2.gz UMOZTZOLYCIZPI-UHFFFAOYSA-N 0 0 184.622 2.524 10 30 AFEERN C=C(F)C(=O)c1ccc(C)cc1C 38350450 166138694 /nfs/dbraw/zinc/13/86/94/166138694.db2.gz DWMHVXKKASIVPU-UHFFFAOYSA-N 0 0 178.206 2.969 10 30 AFEERN C#CC(=O)c1ccc(Cl)c(Cl)c1 133080788 343911486 /nfs/dbraw/zinc/91/14/86/343911486.db2.gz LXFHQWRLEZHQOS-UHFFFAOYSA-N 0 0 199.036 2.809 10 30 AFEERN C=C(c1ccccc1F)[C@@H](O)C(C)C 5384534 166139229 /nfs/dbraw/zinc/13/92/29/166139229.db2.gz NWWMGJQURZNSDY-LBPRGKRZSA-N 0 0 194.249 2.856 10 30 AFEERN C=C(Cl)Cc1cccc(OC)c1O 75600982 166139258 /nfs/dbraw/zinc/13/92/58/166139258.db2.gz NTRQVGNLBBOUBX-UHFFFAOYSA-N 0 0 198.649 2.696 10 30 AFEERN C=C(F)C(=O)c1ccccc1CC 39054889 166139406 /nfs/dbraw/zinc/13/94/06/166139406.db2.gz GBZXUVVPMQOOHA-UHFFFAOYSA-N 0 0 178.206 2.915 10 30 AFEERN C=C(c1ccc(C=O)o1)C(F)(F)F 22201059 166139424 /nfs/dbraw/zinc/13/94/24/166139424.db2.gz FIZSXUKGNNSHTM-UHFFFAOYSA-N 0 0 190.120 2.668 10 30 AFEERN C=C(Cl)Cc1ccccc1O 39191706 166139928 /nfs/dbraw/zinc/13/99/28/166139928.db2.gz OESIVFROYDJFFM-UHFFFAOYSA-N 0 0 168.623 2.687 10 30 AFEERN C=C(Cl)Cc1ccco1 96543380 166139999 /nfs/dbraw/zinc/13/99/99/166139999.db2.gz VKBGTRFBLAEYAC-UHFFFAOYSA-N 0 0 142.585 2.575 10 30 AFEERN C=C(c1ccccc1F)[C@H](O)C(C)C 5384583 166140031 /nfs/dbraw/zinc/14/00/31/166140031.db2.gz NWWMGJQURZNSDY-GFCCVEGCSA-N 0 0 194.249 2.856 10 30 AFEERN C=C(OC)[C@H]1CC(=O)CC(C)(C)C1 62719225 166140046 /nfs/dbraw/zinc/14/00/46/166140046.db2.gz CQFCJTKVZCICHU-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=C(Cl)Cc1ccc(C=O)cc1 39433324 166140054 /nfs/dbraw/zinc/14/00/54/166140054.db2.gz XZIPTQBYXUQPAI-UHFFFAOYSA-N 0 0 180.634 2.794 10 30 AFEERN C=C(Cl)Cc1ccc(O)cc1 5157363 166140084 /nfs/dbraw/zinc/14/00/84/166140084.db2.gz HSYBRMFETVCUAD-UHFFFAOYSA-N 0 0 168.623 2.687 10 30 AFEERN C=C(F)C(=O)c1ccc(C(C)=O)cc1 39055128 166140184 /nfs/dbraw/zinc/14/01/84/166140184.db2.gz UAKXJTJRFKPNKW-UHFFFAOYSA-N 0 0 192.189 2.555 10 30 AFEERN C=C(F)C(=O)c1ccc(C)cc1 36419849 166140564 /nfs/dbraw/zinc/14/05/64/166140564.db2.gz JPYTYQBEPVWJNH-UHFFFAOYSA-N 0 0 164.179 2.661 10 30 AFEERN C=C(OC)[C@@H]1CC(=O)CC(C)(C)C1 62719224 166140593 /nfs/dbraw/zinc/14/05/93/166140593.db2.gz CQFCJTKVZCICHU-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C=C/C(C)=C\C(=O)CC(C)C 100203584 166141081 /nfs/dbraw/zinc/14/10/81/166141081.db2.gz RJXKHBTYHGBOKV-CLFYSBASSA-N 0 0 152.237 2.734 10 30 AFEERN C=C/C=C\[C@H](C)C=C 105442199 166141383 /nfs/dbraw/zinc/14/13/83/166141383.db2.gz NDRUXLROLQGDNL-NFXKFNAJSA-N 0 0 108.184 2.551 10 30 AFEERN C=C/C=C\CC1=C(C)CCC1=O 33845968 166141471 /nfs/dbraw/zinc/14/14/71/166141471.db2.gz GBEJULSURQZDNX-PLNGDYQASA-N 0 0 162.232 2.798 10 30 AFEERN C=C/C=C\[C@@H](C)C=C 105442195 166141860 /nfs/dbraw/zinc/14/18/60/166141860.db2.gz NDRUXLROLQGDNL-UAPHAKCISA-N 0 0 108.184 2.551 10 30 AFEERN C=C/C(C)=C/C(=O)CC(C)C 15120488 166141863 /nfs/dbraw/zinc/14/18/63/166141863.db2.gz RJXKHBTYHGBOKV-VQHVLOKHSA-N 0 0 152.237 2.734 10 30 AFEERN C=C1CC(c2ccncc2)C1 211703615 166143218 /nfs/dbraw/zinc/14/32/18/166143218.db2.gz IBXKXXNKCTUHBE-UHFFFAOYSA-N 0 0 145.205 2.515 10 30 AFEERN C=C1C=CCC(C)(C)[C@@H]1C(=O)OCC 5856859 166143250 /nfs/dbraw/zinc/14/32/50/166143250.db2.gz DOVGPJULTGXWJT-JTQLQIEISA-N 0 0 194.274 2.708 10 30 AFEERN C=C1CCC(=C)C(=C)C1 85974155 166143274 /nfs/dbraw/zinc/14/32/74/166143274.db2.gz AMBNQWVPTPHADI-UHFFFAOYSA-N 0 0 120.195 2.839 10 30 endogenous,in-man AFEERN C=C1CCCC(C)(C)[C@@H]1CC=O 34518983 166143307 /nfs/dbraw/zinc/14/33/07/166143307.db2.gz WJGGZGYLEUUXHR-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1C(=O)c2ccccc2OC1(C)C 26014832 166143467 /nfs/dbraw/zinc/14/34/67/166143467.db2.gz QXXRLLNWJLRDEY-UHFFFAOYSA-N 0 0 188.226 2.597 10 30 AFEERN C=C1CCCCCC1 70233063 166143484 /nfs/dbraw/zinc/14/34/84/166143484.db2.gz XJYOAWSHIQNEGC-UHFFFAOYSA-N 0 0 110.200 2.897 10 30 AFEERN C=C1C=C[C@@H]2CC[C@H]2CC1 222339068 166143596 /nfs/dbraw/zinc/14/35/96/166143596.db2.gz UAZBKRUVFHBFOD-NXEZZACHSA-N 0 0 134.222 2.919 10 30 AFEERN C=C1CC=C(C)C[C@]1(C)C(C)=O 39071523 166143617 /nfs/dbraw/zinc/14/36/17/166143617.db2.gz DQJCMBYRMZVMAC-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C=C1CC=CC(C)(C)[C@H]1C(C)=O 39071510 166143623 /nfs/dbraw/zinc/14/36/23/166143623.db2.gz PLDYSKOXOQWQQH-SNVBAGLBSA-N 0 0 164.248 2.734 10 30 AFEERN C=C1C=CC(=O)O[C@H]1CCCCC 40828880 166143828 /nfs/dbraw/zinc/14/38/28/166143828.db2.gz ZIOYVXMZPCLHKR-JTQLQIEISA-N 0 0 180.247 2.605 10 30 AFEERN C=C1C=C[C@H]2C[C@H]2CC1 222338726 166143871 /nfs/dbraw/zinc/14/38/71/166143871.db2.gz PVXMNXKZWYCDMZ-DTWKUNHWSA-N 0 0 120.195 2.529 10 30 AFEERN C=C1C=C(c2ccccc2)C(=O)C1 196436710 166143881 /nfs/dbraw/zinc/14/38/81/166143881.db2.gz DRSBQOAUTISLLW-UHFFFAOYSA-N 0 0 170.211 2.599 10 30 AFEERN C=C1CC2(CCCCCC2)OC1=O 25986319 166143896 /nfs/dbraw/zinc/14/38/96/166143896.db2.gz RJANVBBARADBDJ-UHFFFAOYSA-N 0 0 180.247 2.583 10 30 AFEERN C=C1CC=CC(C)(C)[C@@H]1C(C)=O 100221362 166143932 /nfs/dbraw/zinc/14/39/32/166143932.db2.gz PLDYSKOXOQWQQH-JTQLQIEISA-N 0 0 164.248 2.734 10 30 AFEERN C=C1C=CCC(C)(C)[C@H]1C(=O)OCC 5857546 166144055 /nfs/dbraw/zinc/14/40/55/166144055.db2.gz DOVGPJULTGXWJT-SNVBAGLBSA-N 0 0 194.274 2.708 10 30 AFEERN C=C1C(=O)[C@H]2CC[C@]1(C)C2(C)C 28371732 166144104 /nfs/dbraw/zinc/14/41/04/166144104.db2.gz BGDKRGCBUXAWOL-KCJUWKMLSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1CCCC(C)(C)[C@@]1(C)C=O 75554846 166144158 /nfs/dbraw/zinc/14/41/58/166144158.db2.gz SUCGDXMAKZPUPT-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CC(C(C)C)(C(C)C)OC1=O 25980949 166144172 /nfs/dbraw/zinc/14/41/72/166144172.db2.gz VKCJYODNNAVXHK-UHFFFAOYSA-N 0 0 182.263 2.540 10 30 AFEERN C=C1C=CC(=O)O[C@@H]1CCCCC 40828878 166144183 /nfs/dbraw/zinc/14/41/83/166144183.db2.gz ZIOYVXMZPCLHKR-SNVBAGLBSA-N 0 0 180.247 2.605 10 30 AFEERN C=C1C(C)(C)N=NC1(C)C 5761988 166144185 /nfs/dbraw/zinc/14/41/85/166144185.db2.gz XZQJCDIIUAEXRA-UHFFFAOYSA-N 0 0 138.214 2.566 10 30 AFEERN C=C1C=C[C@H]2C[C@@H]2CC1 222338673 166144213 /nfs/dbraw/zinc/14/42/13/166144213.db2.gz PVXMNXKZWYCDMZ-IUCAKERBSA-N 0 0 120.195 2.529 10 30 AFEERN C=C1CC(C#N)(CC2CC2)C1 148147350 166144214 /nfs/dbraw/zinc/14/42/14/166144214.db2.gz GGJDHZROYXKXTR-UHFFFAOYSA-N 0 0 147.221 2.646 10 30 AFEERN C=C1CCC([C@H](C)C=O)CC1 38643867 166144217 /nfs/dbraw/zinc/14/42/17/166144217.db2.gz JNRATHVXQNNAQX-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCC=C(CCC=O)C1 75538843 166144219 /nfs/dbraw/zinc/14/42/19/166144219.db2.gz VFPAFKJMAWCBJB-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=C1CCCCC1=C 59077879 166144221 /nfs/dbraw/zinc/14/42/21/166144221.db2.gz DYEQHQNRKZJUCT-UHFFFAOYSA-N 0 0 108.184 2.673 10 30 AFEERN C=C1CCCC(C)(C)[C@H]1CC=O 38265698 166144240 /nfs/dbraw/zinc/14/42/40/166144240.db2.gz WJGGZGYLEUUXHR-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=C1C=C[C@H]2CC[C@@H]2CC1 222338966 166144301 /nfs/dbraw/zinc/14/43/01/166144301.db2.gz UAZBKRUVFHBFOD-UWVGGRQHSA-N 0 0 134.222 2.919 10 30 AFEERN C=C1CC2(OC1=O)[C@@H](C)CCC[C@@H]2C 25985401 166144307 /nfs/dbraw/zinc/14/43/07/166144307.db2.gz NEFIIEVOQAEYMU-UWVGGRQHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C1C=C[C@H]2CC[C@H]2CC1 222339015 166144366 /nfs/dbraw/zinc/14/43/66/166144366.db2.gz UAZBKRUVFHBFOD-VHSXEESVSA-N 0 0 134.222 2.919 10 30 AFEERN C=C1CCC(C(C)(C)O)CC1 5439913 166144371 /nfs/dbraw/zinc/14/43/71/166144371.db2.gz SQIFACVGCPWBQZ-UHFFFAOYSA-N 0 0 154.253 2.504 10 30 endogenous,in-man AFEERN C=C1CCCC(C)(C)[C@]1(C)C=O 75554839 166144486 /nfs/dbraw/zinc/14/44/86/166144486.db2.gz SUCGDXMAKZPUPT-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1C=C[C@@H]2C[C@H]2CC1 222338777 166144513 /nfs/dbraw/zinc/14/45/13/166144513.db2.gz PVXMNXKZWYCDMZ-RKDXNWHRSA-N 0 0 120.195 2.529 10 30 AFEERN C=C1CC2(CCCCCCC2)OC1=O 25985035 166144518 /nfs/dbraw/zinc/14/45/18/166144518.db2.gz CVIVPGDEUKFCOI-UHFFFAOYSA-N 0 0 194.274 2.973 10 30 AFEERN C=C1CC2(OC1=O)[C@H](C)CCC[C@H]2C 25985377 166144671 /nfs/dbraw/zinc/14/46/71/166144671.db2.gz NEFIIEVOQAEYMU-NXEZZACHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C1CCC([C@@H](C)C=O)CC1 38643862 166144854 /nfs/dbraw/zinc/14/48/54/166144854.db2.gz JNRATHVXQNNAQX-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCCC(C)(C)[C@@H]1C=O 101734707 166144995 /nfs/dbraw/zinc/14/49/95/166144995.db2.gz LOPKRZWYKAXBPL-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CC=C(C)C[C@@]1(C)C(C)=O 39071525 166145054 /nfs/dbraw/zinc/14/50/54/166145054.db2.gz DQJCMBYRMZVMAC-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN C=C1CCCC(C)(C)[C@H]1C=O 101734703 166145273 /nfs/dbraw/zinc/14/52/73/166145273.db2.gz LOPKRZWYKAXBPL-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCCC[C@]1(C)C(C)=O 62715713 166145909 /nfs/dbraw/zinc/14/59/09/166145909.db2.gz RCMMJJHPMWCBLA-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C=C1CCSc2ccccc2[C@H]1O 102996332 166145937 /nfs/dbraw/zinc/14/59/37/166145937.db2.gz URHBUKDYQLTDPT-NSHDSACASA-N 0 0 192.283 2.772 10 30 AFEERN C=C1CCCC[C@H]1[C@@H](C)C=O 48545903 166145968 /nfs/dbraw/zinc/14/59/68/166145968.db2.gz QZMDVEMUPSCRHK-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCCC[C@H](O)[C@H]1CC 45793224 166146087 /nfs/dbraw/zinc/14/60/87/166146087.db2.gz GNIVLOQTIHTAJD-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN C=C1CCC[C@@H]1NC(=O)OC(C)(C)C 39091203 166146096 /nfs/dbraw/zinc/14/60/96/166146096.db2.gz NVDFAPKQDRMRKV-VIFPVBQESA-N 0 0 197.278 2.620 10 30 AFEERN C=C1CC[C@H](C#N)C1(C)C 75524983 166146109 /nfs/dbraw/zinc/14/61/09/166146109.db2.gz IMCLYKLRSANTMV-MRVPVSSYSA-N 0 0 135.210 2.502 10 30 AFEERN C=C1CCC[C@@H](C)[C@@]1(C)CC=O 75554786 166146119 /nfs/dbraw/zinc/14/61/19/166146119.db2.gz GMFDBEIYUKDXFC-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCC[C@](C)(C#N)C1 75525044 166146155 /nfs/dbraw/zinc/14/61/55/166146155.db2.gz JNVTXFQWJUKXEC-VIFPVBQESA-N 0 0 135.210 2.646 10 30 AFEERN C=C1CCc2c(C)cc(C)cc2C1=O 71488883 166146179 /nfs/dbraw/zinc/14/61/79/166146179.db2.gz ZZNQTZSDMZHLQU-UHFFFAOYSA-N 0 0 186.254 2.989 10 30 AFEERN C=C1CC[C@H](C=O)C(C)(C)C1 39062307 166146194 /nfs/dbraw/zinc/14/61/94/166146194.db2.gz RTIZIFKKJSWHQQ-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCC[C@H](C)[C@@]1(C)CC=O 75554790 166146243 /nfs/dbraw/zinc/14/62/43/166146243.db2.gz GMFDBEIYUKDXFC-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCC[C@H]1NC(=O)OC(C)(C)C 39091202 166146270 /nfs/dbraw/zinc/14/62/70/166146270.db2.gz NVDFAPKQDRMRKV-SECBINFHSA-N 0 0 197.278 2.620 10 30 AFEERN C=C1CN=C(Nc2ccccc2)S1 5480542 166146309 /nfs/dbraw/zinc/14/63/09/166146309.db2.gz NUNMXJCJFUZAKF-UHFFFAOYSA-N 0 0 190.271 2.524 10 30 AFEERN C=C1CC[C@H](CC#N)C1(C)C 75538541 166146372 /nfs/dbraw/zinc/14/63/72/166146372.db2.gz XJWDGXWPGDGWFG-SECBINFHSA-N 0 0 149.237 2.892 10 30 AFEERN C=C1CCO[C@H]1c1ccccc1 39348884 166146424 /nfs/dbraw/zinc/14/64/24/166146424.db2.gz BUFMEIOYWBCKHF-LLVKDONJSA-N 0 0 160.216 2.704 10 30 AFEERN C=C1CCO[C@@H](c2ccccc2O)C1 75579713 166146489 /nfs/dbraw/zinc/14/64/89/166146489.db2.gz VEGYBKBMSONSGC-GFCCVEGCSA-N 0 0 190.242 2.800 10 30 AFEERN C=C1CCO[C@H](CC(C)C)C1 5759840 166146502 /nfs/dbraw/zinc/14/65/02/166146502.db2.gz MMDIPEMQOQIJRH-SNVBAGLBSA-N 0 0 154.253 2.768 10 30 AFEERN C=C1CCO[C@@](C)(CC)C1 82762134 166146659 /nfs/dbraw/zinc/14/66/59/166146659.db2.gz DVOPXMQXWUYUNR-VIFPVBQESA-N 0 0 140.226 2.522 10 30 AFEERN C=C1CCO[C@H](c2ccccc2O)C1 75579711 166146691 /nfs/dbraw/zinc/14/66/91/166146691.db2.gz VEGYBKBMSONSGC-LBPRGKRZSA-N 0 0 190.242 2.800 10 30 AFEERN C=C1CC[C@H](OC)C(C)(C)[C@H]1CC=O 75599497 166146712 /nfs/dbraw/zinc/14/67/12/166146712.db2.gz DZKYQHJCIJPICT-QWRGUYRKSA-N 0 0 196.290 2.583 10 30 AFEERN C=C1CCCC[C@@H]1[C@H](C)C=O 48545909 166146718 /nfs/dbraw/zinc/14/67/18/166146718.db2.gz QZMDVEMUPSCRHK-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCC[C@H](C)[C@]1(C)CC=O 75554781 166146748 /nfs/dbraw/zinc/14/67/48/166146748.db2.gz GMFDBEIYUKDXFC-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCc2ccc(CC)cc2C1=O 71488872 166146759 /nfs/dbraw/zinc/14/67/59/166146759.db2.gz IZOHNWYYJJMHFC-UHFFFAOYSA-N 0 0 186.254 2.934 10 30 AFEERN C=C1CCCC[C@@H]1[C@@H](C)C=O 48545907 166146803 /nfs/dbraw/zinc/14/68/03/166146803.db2.gz QZMDVEMUPSCRHK-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCCC[C@H]1[C@H](C)C=O 48545905 166146805 /nfs/dbraw/zinc/14/68/05/166146805.db2.gz QZMDVEMUPSCRHK-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CC[C@@H](C=O)C(C)(C)C1 39062309 166146858 /nfs/dbraw/zinc/14/68/58/166146858.db2.gz RTIZIFKKJSWHQQ-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCCC[C@@]1(C)C(C)=O 62715711 166146908 /nfs/dbraw/zinc/14/69/08/166146908.db2.gz RCMMJJHPMWCBLA-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C1CCO[C@@H]1c1ccccc1 39348883 166146951 /nfs/dbraw/zinc/14/69/51/166146951.db2.gz BUFMEIOYWBCKHF-NSHDSACASA-N 0 0 160.216 2.704 10 30 AFEERN C=C1CCc2c(F)cccc2C1=O 71488916 166146955 /nfs/dbraw/zinc/14/69/55/166146955.db2.gz NPCKHDOOFUIRRK-UHFFFAOYSA-N 0 0 176.190 2.511 10 30 AFEERN C=C1CCO[C@@H](CC(C)C)C1 5760062 166146964 /nfs/dbraw/zinc/14/69/64/166146964.db2.gz MMDIPEMQOQIJRH-JTQLQIEISA-N 0 0 154.253 2.768 10 30 AFEERN C=C1CCCC[C@H]1C(=O)C(F)(F)F 33835066 166147021 /nfs/dbraw/zinc/14/70/21/166147021.db2.gz YDBCNIWHFRBTRX-SSDOTTSWSA-N 0 0 192.180 2.864 10 30 AFEERN C=C1CCC[C@@H](C)[C@]1(C)CC=O 75554778 166147051 /nfs/dbraw/zinc/14/70/51/166147051.db2.gz GMFDBEIYUKDXFC-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CC[C@H](OC)C(C)(C)[C@@H]1CC=O 75599501 166147084 /nfs/dbraw/zinc/14/70/84/166147084.db2.gz DZKYQHJCIJPICT-MNOVXSKESA-N 0 0 196.290 2.583 10 30 AFEERN C=C1CCc2ccc(F)cc2C1=O 71488876 166147167 /nfs/dbraw/zinc/14/71/67/166147167.db2.gz UEOHQZQNBLAPJO-UHFFFAOYSA-N 0 0 176.190 2.511 10 30 AFEERN C=C1CC[C@@H](CC#N)C1(C)C 75538539 166147181 /nfs/dbraw/zinc/14/71/81/166147181.db2.gz XJWDGXWPGDGWFG-VIFPVBQESA-N 0 0 149.237 2.892 10 30 AFEERN C=C1CC[C@@H](OC)C(C)(C)[C@H]1CC=O 75599495 166147186 /nfs/dbraw/zinc/14/71/86/166147186.db2.gz DZKYQHJCIJPICT-WDEREUQCSA-N 0 0 196.290 2.583 10 30 AFEERN C=C1CCc2ccc(C)cc2C1=O 71488870 166147223 /nfs/dbraw/zinc/14/72/23/166147223.db2.gz HRVJAEMTENZZDD-UHFFFAOYSA-N 0 0 172.227 2.680 10 30 AFEERN C=C1CCNc2ccccc21 20975647 166147233 /nfs/dbraw/zinc/14/72/33/166147233.db2.gz JMCDASJOLSKCFU-UHFFFAOYSA-N 0 0 145.205 2.515 10 30 AFEERN C=C1CC[C@@H](OC)C(C)(C)[C@@H]1CC=O 75599499 166147280 /nfs/dbraw/zinc/14/72/80/166147280.db2.gz DZKYQHJCIJPICT-GHMZBOCLSA-N 0 0 196.290 2.583 10 30 AFEERN C=C1CCO[C@](C)(CC)C1 82762133 166147312 /nfs/dbraw/zinc/14/73/12/166147312.db2.gz DVOPXMQXWUYUNR-SECBINFHSA-N 0 0 140.226 2.522 10 30 AFEERN C=C1CC[C@@H](C#N)C1(C)C 75524981 166147363 /nfs/dbraw/zinc/14/73/63/166147363.db2.gz IMCLYKLRSANTMV-QMMMGPOBSA-N 0 0 135.210 2.502 10 30 AFEERN C=C1CCC[C@@](C)(C#N)C1 75525053 166147593 /nfs/dbraw/zinc/14/75/93/166147593.db2.gz JNVTXFQWJUKXEC-SECBINFHSA-N 0 0 135.210 2.646 10 30 AFEERN C=C1CCSc2ccccc2[C@@H]1O 102996329 166147646 /nfs/dbraw/zinc/14/76/46/166147646.db2.gz URHBUKDYQLTDPT-LLVKDONJSA-N 0 0 192.283 2.772 10 30 AFEERN C=C1CCc2c(C)ccc(C)c2C1=O 71488884 166147829 /nfs/dbraw/zinc/14/78/29/166147829.db2.gz UZWIHOSLZPOKJP-UHFFFAOYSA-N 0 0 186.254 2.989 10 30 AFEERN C=C1CCCC[C@@H]1C(=O)C(F)(F)F 100046395 166147846 /nfs/dbraw/zinc/14/78/46/166147846.db2.gz YDBCNIWHFRBTRX-ZETCQYMHSA-N 0 0 192.180 2.864 10 30 AFEERN C=C1C[C@@H](c2ccccc2)CC(=O)O1 26469064 166148048 /nfs/dbraw/zinc/14/80/48/166148048.db2.gz KMKDUJCZIBSOHV-LLVKDONJSA-N 0 0 188.226 2.621 10 30 AFEERN C=C1CNc2ccccc2[C@@H]1C 22004463 166148091 /nfs/dbraw/zinc/14/80/91/166148091.db2.gz CFCJHPXETSDIGO-SECBINFHSA-N 0 0 159.232 2.772 10 30 AFEERN C=C1Cc2c(Cl)cccc2C1=O 71488910 166148101 /nfs/dbraw/zinc/14/81/01/166148101.db2.gz TVFZAXXLSDJEBQ-UHFFFAOYSA-N 0 0 178.618 2.635 10 30 AFEERN C=C1C[C@H](CCCCCC)OC1=O 34534249 166148367 /nfs/dbraw/zinc/14/83/67/166148367.db2.gz INOBTMXEJORGST-JTQLQIEISA-N 0 0 182.263 2.829 10 30 AFEERN C=C1CO[C@H](C2CCCCC2)C1 104846140 166148428 /nfs/dbraw/zinc/14/84/28/166148428.db2.gz FLYHUVANZBIXMM-NSHDSACASA-N 0 0 166.264 2.912 10 30 AFEERN C=C1C[C@@]2(C[C@@H]1C)OC(=O)C(C)=C2C 39112280 166148451 /nfs/dbraw/zinc/14/84/51/166148451.db2.gz DDLNSDZPYFYLLU-UFBFGSQYSA-N 0 0 192.258 2.605 10 30 AFEERN C=C1C[C@]2(C)CC(=O)C(C)(C)[C@H]12 37593886 166148466 /nfs/dbraw/zinc/14/84/66/166148466.db2.gz PLDHWTZXRPPWHZ-GXSJLCMTSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1CO[C@H](c2ccccc2)C1 38220359 166148513 /nfs/dbraw/zinc/14/85/13/166148513.db2.gz KTEYLEFSHZFRBF-NSHDSACASA-N 0 0 160.216 2.704 10 30 AFEERN C=C1C[C@@H](CCCCCC)OC1=O 34534248 166148677 /nfs/dbraw/zinc/14/86/77/166148677.db2.gz INOBTMXEJORGST-SNVBAGLBSA-N 0 0 182.263 2.829 10 30 AFEERN C=C1C[C@]2(C[C@H]1C)OC(=O)C(C)=C2C 39112281 166148720 /nfs/dbraw/zinc/14/87/20/166148720.db2.gz DDLNSDZPYFYLLU-PRHODGIISA-N 0 0 192.258 2.605 10 30 AFEERN C=C1CO[C@@](C)(c2ccccc2)C1 104845472 166148764 /nfs/dbraw/zinc/14/87/64/166148764.db2.gz LCJXECWXTVKWMA-GFCCVEGCSA-N 0 0 174.243 2.878 10 30 AFEERN C=C1C[C@@]23CCC(=O)C[C@@H]2C[C@@H]1C3 39111326 166148776 /nfs/dbraw/zinc/14/87/76/166148776.db2.gz ISNRLRBYXWTPGI-JFGNBEQYSA-N 0 0 176.259 2.712 10 30 AFEERN C=C1COC/C1=C\c1ccccc1 104845371 166148823 /nfs/dbraw/zinc/14/88/23/166148823.db2.gz MIJJQLSLPNQTNG-KPKJPENVSA-N 0 0 172.227 2.656 10 30 AFEERN C=C1C[C@@]2(C[C@H]1C)OC(=O)C(C)=C2C 39112279 166148881 /nfs/dbraw/zinc/14/88/81/166148881.db2.gz DDLNSDZPYFYLLU-PELKAZGASA-N 0 0 192.258 2.605 10 30 AFEERN C=C1C[C@H]2C[C@@H](O)C[C@@](C)(C1)C2 256682612 166148897 /nfs/dbraw/zinc/14/88/97/166148897.db2.gz GQGUUPAKYNTMNF-AXFHLTTASA-N 0 0 166.264 2.504 10 30 AFEERN C=C1C[C@@]2(C)CC(=O)C(C)(C)[C@H]12 37593888 166148905 /nfs/dbraw/zinc/14/89/05/166148905.db2.gz PLDHWTZXRPPWHZ-ONGXEEELSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1C[C@H](c2ccccc2)CC(=O)O1 26469072 166149097 /nfs/dbraw/zinc/14/90/97/166149097.db2.gz KMKDUJCZIBSOHV-NSHDSACASA-N 0 0 188.226 2.621 10 30 AFEERN C=C1C[C@]2(C)CC(=O)C(C)(C)[C@@H]12 37593887 166149344 /nfs/dbraw/zinc/14/93/44/166149344.db2.gz PLDHWTZXRPPWHZ-MWLCHTKSSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1CO[C@H](CCc2ccccc2)C1 21990803 166149395 /nfs/dbraw/zinc/14/93/95/166149395.db2.gz RBRWHSVDSHWBRX-CYBMUJFWSA-N 0 0 188.270 2.964 10 30 AFEERN C=C1C[C@]2(C[C@@H]1C)OC(=O)C(C)=C2C 39112282 166149474 /nfs/dbraw/zinc/14/94/74/166149474.db2.gz DDLNSDZPYFYLLU-QPUJVOFHSA-N 0 0 192.258 2.605 10 30 AFEERN C=C1C[C@H]1c1ccccc1 86861199 166149534 /nfs/dbraw/zinc/14/95/34/166149534.db2.gz UZXGMTRQCZEMNP-SNVBAGLBSA-N 0 0 130.190 2.730 10 30 AFEERN C=C1CO[C@H](c2ccc(OC)cc2)C1 59102992 166149537 /nfs/dbraw/zinc/14/95/37/166149537.db2.gz WSQHNQQWYBUMIY-LBPRGKRZSA-N 0 0 190.242 2.713 10 30 AFEERN C=C1C[C@@H](C)CC[C@H]1C 2600047 166149609 /nfs/dbraw/zinc/14/96/09/166149609.db2.gz WFDLHRVMODABGC-JGVFFNPUSA-N 0 0 124.227 2.999 10 30 AFEERN C=C1CO[C@](C)(c2ccccc2)C1 104845475 166149665 /nfs/dbraw/zinc/14/96/65/166149665.db2.gz LCJXECWXTVKWMA-LBPRGKRZSA-N 0 0 174.243 2.878 10 30 AFEERN C=C1C[C@@H]1c1ccccc1 2539585 166149667 /nfs/dbraw/zinc/14/96/67/166149667.db2.gz UZXGMTRQCZEMNP-JTQLQIEISA-N 0 0 130.190 2.730 10 30 AFEERN C=C1C[C@]2(C(C)C)CCC(=O)[C@@H]12 34582734 166149697 /nfs/dbraw/zinc/14/96/97/166149697.db2.gz VCXLWZNKFCQYCZ-MNOVXSKESA-N 0 0 164.248 2.568 10 30 AFEERN C=C1C[C@H]2C[C@H](O)C[C@@](C)(C1)C2 256682615 166149738 /nfs/dbraw/zinc/14/97/38/166149738.db2.gz GQGUUPAKYNTMNF-DCAQKATOSA-N 0 0 166.264 2.504 10 30 AFEERN C=C1Cc2ccc(Cl)cc2C1=O 71488898 166149763 /nfs/dbraw/zinc/14/97/63/166149763.db2.gz JQRWSIQHHKZMHG-UHFFFAOYSA-N 0 0 178.618 2.635 10 30 AFEERN C=C1C[C@@]2(C(C)C)CCC(=O)[C@@H]12 39103923 166149778 /nfs/dbraw/zinc/14/97/78/166149778.db2.gz VCXLWZNKFCQYCZ-GHMZBOCLSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1CO[C@@H](c2ccc(OC)cc2)C1 59102994 166149782 /nfs/dbraw/zinc/14/97/82/166149782.db2.gz WSQHNQQWYBUMIY-GFCCVEGCSA-N 0 0 190.242 2.713 10 30 AFEERN C=C1CNc2ccccc2[C@H]1C 22004468 166149784 /nfs/dbraw/zinc/14/97/84/166149784.db2.gz CFCJHPXETSDIGO-VIFPVBQESA-N 0 0 159.232 2.772 10 30 AFEERN C=C1CO[C@@H](c2ccccc2)C1 38220358 166149793 /nfs/dbraw/zinc/14/97/93/166149793.db2.gz KTEYLEFSHZFRBF-LLVKDONJSA-N 0 0 160.216 2.704 10 30 AFEERN C=C1CO[C@@H](C2CCCCC2)C1 104846136 166149833 /nfs/dbraw/zinc/14/98/33/166149833.db2.gz FLYHUVANZBIXMM-LLVKDONJSA-N 0 0 166.264 2.912 10 30 AFEERN C=C1Cc2ccc(CC)cc2C1=O 71488892 166149863 /nfs/dbraw/zinc/14/98/63/166149863.db2.gz ZEHMROKKFFVFMR-UHFFFAOYSA-N 0 0 172.227 2.544 10 30 AFEERN C=C1C[C@@]2(C)CC(=O)C(C)(C)[C@@H]12 37593889 166149887 /nfs/dbraw/zinc/14/98/87/166149887.db2.gz PLDHWTZXRPPWHZ-KOLCDFICSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1CO[C@@H](CCc2ccccc2)C1 104523819 166149930 /nfs/dbraw/zinc/14/99/30/166149930.db2.gz RBRWHSVDSHWBRX-ZDUSSCGKSA-N 0 0 188.270 2.964 10 30 AFEERN C=C1COC(c2ccc(C)cc2)OC1 39120244 166150011 /nfs/dbraw/zinc/15/00/11/166150011.db2.gz AMPINRSSSGTJTN-UHFFFAOYSA-N 0 0 190.242 2.597 10 30 AFEERN C=C1O[C@@H]2CCCC[C@@H]2C1=C 104833568 166150384 /nfs/dbraw/zinc/15/03/84/166150384.db2.gz UDNWOBRIEAFWST-NXEZZACHSA-N 0 0 150.221 2.645 10 30 AFEERN C=C1[C@H](C=O)CCCC1(C)C 100210230 166150566 /nfs/dbraw/zinc/15/05/66/166150566.db2.gz JUIPJRQCGRTZFW-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C1O[C@@H]2CCCC[C@H]2C1=C 104833566 166150604 /nfs/dbraw/zinc/15/06/04/166150604.db2.gz UDNWOBRIEAFWST-VHSXEESVSA-N 0 0 150.221 2.645 10 30 AFEERN C=C1c2cc(OC)ccc2O[C@@H]1CC 39090359 166150975 /nfs/dbraw/zinc/15/09/75/166150975.db2.gz FUSFMYBNOCRLDL-LLVKDONJSA-N 0 0 190.242 2.879 10 30 AFEERN C=C1[C@H](C(C)=O)C12CCCCC2 100131851 166151118 /nfs/dbraw/zinc/15/11/18/166151118.db2.gz KOJCYVAWUZQDNH-SNVBAGLBSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1[C@@H](C=O)CCCC1(C)C 39062327 166151120 /nfs/dbraw/zinc/15/11/20/166151120.db2.gz JUIPJRQCGRTZFW-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1[C@H]2CC[C@]1(C)C(=O)C[C@@H]2C 39116201 166151267 /nfs/dbraw/zinc/15/12/67/166151267.db2.gz YAXNPHBCCNHFOM-ARENWVFISA-N 0 0 164.248 2.568 10 30 AFEERN C=C1[C@@H](C(C)=O)C12CCCCC2 39071538 166151319 /nfs/dbraw/zinc/15/13/19/166151319.db2.gz KOJCYVAWUZQDNH-JTQLQIEISA-N 0 0 164.248 2.712 10 30 AFEERN C=C1[C@H](C)c2ccccc2N1C 111889300 166151376 /nfs/dbraw/zinc/15/13/76/166151376.db2.gz XYKUJMLDHFKSIA-QMMMGPOBSA-N 0 0 159.232 2.754 10 30 AFEERN C=C1[C@@H](C)c2ccccc2N1C 111889303 166151494 /nfs/dbraw/zinc/15/14/94/166151494.db2.gz XYKUJMLDHFKSIA-MRVPVSSYSA-N 0 0 159.232 2.754 10 30 AFEERN C=C1O[C@H]2CCCC[C@H]2C1=C 104833559 166151570 /nfs/dbraw/zinc/15/15/70/166151570.db2.gz UDNWOBRIEAFWST-UWVGGRQHSA-N 0 0 150.221 2.645 10 30 AFEERN C=C1c2ccccc2NC1(C)C 205543190 166151639 /nfs/dbraw/zinc/15/16/39/166151639.db2.gz JNFRSRWSMNQLOS-UHFFFAOYSA-N 0 0 159.232 2.904 10 30 AFEERN C=C1c2cc(OC)ccc2O[C@H]1CC 39090360 166151742 /nfs/dbraw/zinc/15/17/42/166151742.db2.gz FUSFMYBNOCRLDL-NSHDSACASA-N 0 0 190.242 2.879 10 30 AFEERN C=C1O[C@H]2CCCC[C@@H]2C1=C 104833562 166151913 /nfs/dbraw/zinc/15/19/13/166151913.db2.gz UDNWOBRIEAFWST-ZJUUUORDSA-N 0 0 150.221 2.645 10 30 AFEERN C=CC(=O)c1ccc(OC)cc1Cl 71507432 166158200 /nfs/dbraw/zinc/15/82/00/166158200.db2.gz BZVLHLAZXNUPRJ-UHFFFAOYSA-N 0 0 196.633 2.717 10 30 AFEERN C=CC(=O)c1ccc2c(c1)CCC2 71496676 166158253 /nfs/dbraw/zinc/15/82/53/166158253.db2.gz WOKLSTQFTKLKCI-UHFFFAOYSA-N 0 0 172.227 2.544 10 30 AFEERN C=CC(=O)c1cc(C)cc(C)c1OC 71500665 166158276 /nfs/dbraw/zinc/15/82/76/166158276.db2.gz ZGTHQLOPKYATQL-UHFFFAOYSA-N 0 0 190.242 2.681 10 30 AFEERN C=CC(=O)c1ccc(F)c(Cl)c1 82529857 166158353 /nfs/dbraw/zinc/15/83/53/166158353.db2.gz UDOSNYOGNDJXEQ-UHFFFAOYSA-N 0 0 184.597 2.848 10 30 AFEERN C=CC(=O)c1ccc(Cl)cc1 2579504 166158413 /nfs/dbraw/zinc/15/84/13/166158413.db2.gz FMQNAMWEBWQKQN-UHFFFAOYSA-N 0 0 166.607 2.709 10 30 AFEERN C=CC(=O)c1cc(Cl)ccc1F 82529858 166158554 /nfs/dbraw/zinc/15/85/54/166158554.db2.gz IXMWSRQQTGZIQR-UHFFFAOYSA-N 0 0 184.597 2.848 10 30 AFEERN C=CC(=O)c1ccccc1Cl 2579502 166158742 /nfs/dbraw/zinc/15/87/42/166158742.db2.gz GAQRZTCWAYLSKR-UHFFFAOYSA-N 0 0 166.607 2.709 10 30 AFEERN C=CC(=O)c1cc(C)c(C)cc1C 71496834 166158744 /nfs/dbraw/zinc/15/87/44/166158744.db2.gz BLXAUSKHDKKGHS-UHFFFAOYSA-N 0 0 174.243 2.981 10 30 AFEERN C=CC(=O)c1cc(C)c(OC)cc1C 71500653 166158759 /nfs/dbraw/zinc/15/87/59/166158759.db2.gz YIGSTABQAGQCJD-UHFFFAOYSA-N 0 0 190.242 2.681 10 30 AFEERN C=CC(=O)c1c(C)cc(C)cc1OC 82530342 166158761 /nfs/dbraw/zinc/15/87/61/166158761.db2.gz VXFDPQKIAPUTSS-UHFFFAOYSA-N 0 0 190.242 2.681 10 30 AFEERN C=CC(=O)c1c(C)[nH]c2ccccc12 71499677 166158800 /nfs/dbraw/zinc/15/88/00/166158800.db2.gz FGGLDCDGGJEVMW-UHFFFAOYSA-N 0 0 185.226 2.845 10 30 AFEERN C=CC(=O)c1cc(C)cc(C)c1 2579536 166158808 /nfs/dbraw/zinc/15/88/08/166158808.db2.gz WAKSMIUTCCKNGG-UHFFFAOYSA-N 0 0 160.216 2.672 10 30 AFEERN C=CC(=O)c1cc(C)c(C)cc1OC 71500651 166158906 /nfs/dbraw/zinc/15/89/06/166158906.db2.gz XYBRKMAILJLUCT-UHFFFAOYSA-N 0 0 190.242 2.681 10 30 AFEERN C=CC(C)(C)/C=C/C(C)(C)O 5355869 166159134 /nfs/dbraw/zinc/15/91/34/166159134.db2.gz CSMMFGCGBLZIJE-BQYQJAHWSA-N 0 0 154.253 2.526 10 30 biogenic,in-vitro AFEERN C=CC(=O)c1cn(C)c2ccccc12 39366858 166159324 /nfs/dbraw/zinc/15/93/24/166159324.db2.gz FCDUNGRLUVJCBS-UHFFFAOYSA-N 0 0 185.226 2.547 10 30 AFEERN C=CC(=O)c1ccc(OC)c(C)c1C 71500670 166159379 /nfs/dbraw/zinc/15/93/79/166159379.db2.gz VAOALFOTTJDFEN-UHFFFAOYSA-N 0 0 190.242 2.681 10 30 AFEERN C=CC(=O)c1cc(Cl)ccc1OC 71507431 166159461 /nfs/dbraw/zinc/15/94/61/166159461.db2.gz QKVILOIXYPURKZ-UHFFFAOYSA-N 0 0 196.633 2.717 10 30 AFEERN C=CC(=O)c1ccc2c(c1)CCCC2 71499808 166159472 /nfs/dbraw/zinc/15/94/72/166159472.db2.gz JDVLEWACGLWVOW-UHFFFAOYSA-N 0 0 186.254 2.934 10 30 AFEERN C=CC(=O)c1ccc(CC)cc1 71495631 166159562 /nfs/dbraw/zinc/15/95/62/166159562.db2.gz XFSGOIVPISTUIH-UHFFFAOYSA-N 0 0 160.216 2.618 10 30 AFEERN C=CC(=O)c1ccc(C)c(C)c1 2579532 166159672 /nfs/dbraw/zinc/15/96/72/166159672.db2.gz MSNCTKREIXYJRP-UHFFFAOYSA-N 0 0 160.216 2.672 10 30 AFEERN C=CC(=O)c1cc(C)ccc1C 2579526 166159689 /nfs/dbraw/zinc/15/96/89/166159689.db2.gz MXOYODFVFCRRJF-UHFFFAOYSA-N 0 0 160.216 2.672 10 30 AFEERN C=CC(=O)c1ccc(C)cc1C 2579522 166159694 /nfs/dbraw/zinc/15/96/94/166159694.db2.gz YQWQQFJWRMEYDV-UHFFFAOYSA-N 0 0 160.216 2.672 10 30 AFEERN C=CC(=O)c1cccc(Cl)c1 2579503 166159707 /nfs/dbraw/zinc/15/97/07/166159707.db2.gz GZVMFSAUHKADTG-UHFFFAOYSA-N 0 0 166.607 2.709 10 30 AFEERN C=CC(=O)c1ccc(F)c(C)c1 71495736 166159744 /nfs/dbraw/zinc/15/97/44/166159744.db2.gz XVECKMZKWKBVMR-UHFFFAOYSA-N 0 0 164.179 2.503 10 30 AFEERN C=CC(=O)c1cccc(C)c1C 2579520 166159861 /nfs/dbraw/zinc/15/98/61/166159861.db2.gz VICTXXHDNJMWDG-UHFFFAOYSA-N 0 0 160.216 2.672 10 30 AFEERN C=CC(=O)c1ccc(Cl)s1 71496720 166159952 /nfs/dbraw/zinc/15/99/52/166159952.db2.gz DRMQCVYEVHSBQV-UHFFFAOYSA-N 0 0 172.636 2.770 10 30 AFEERN C=CC(=O)c1ccc(SC)cc1 34583048 166159956 /nfs/dbraw/zinc/15/99/56/166159956.db2.gz FTTOIYQLKAPTQQ-UHFFFAOYSA-N 0 0 178.256 2.777 10 30 AFEERN C=CC(=O)c1nc2ccccc2s1 45236474 166160002 /nfs/dbraw/zinc/16/00/02/166160002.db2.gz RSMIRTBJXGTJOS-UHFFFAOYSA-N 0 0 189.239 2.665 10 30 AFEERN C=CC(C)(C=C)[C@@H]1CCCC[C@H]1O 104841336 166160519 /nfs/dbraw/zinc/16/05/19/166160519.db2.gz LAXCDQSDGNNYFM-GHMZBOCLSA-N 0 0 180.291 2.916 10 30 AFEERN C=CC1(CC=O)CCCCC1 75539680 166160715 /nfs/dbraw/zinc/16/07/15/166160715.db2.gz PYSZICYFIVEVIR-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC(C)(C)[C@H](O)CCCC 5309931 166160853 /nfs/dbraw/zinc/16/08/53/166160853.db2.gz VUBHPIQCJMZRLJ-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CC(C)(C=C)[C@H]1CCCC[C@@H]1O 104841330 166161037 /nfs/dbraw/zinc/16/10/37/166161037.db2.gz LAXCDQSDGNNYFM-QWRGUYRKSA-N 0 0 180.291 2.916 10 30 AFEERN C=CC/N=C1\CCCC[C@H]1F 39088649 166161114 /nfs/dbraw/zinc/16/11/14/166161114.db2.gz SMUQZJWFNORHHK-ITCPUHJZSA-N 0 0 155.216 2.526 10 30 AFEERN C=CC/N=C1\CCCC[C@@H]1F 39088648 166161206 /nfs/dbraw/zinc/16/12/06/166161206.db2.gz SMUQZJWFNORHHK-QMIUEANQSA-N 0 0 155.216 2.526 10 30 AFEERN C=CC(O)(CCC)CCC 39205446 166161328 /nfs/dbraw/zinc/16/13/28/166161328.db2.gz VFZPCZFABPICHU-UHFFFAOYSA-N 0 0 142.242 2.504 10 30 AFEERN C=CC(C)(C)OCC=C(C)C 5158806 166161338 /nfs/dbraw/zinc/16/13/38/166161338.db2.gz OSDSMAURJWMWHY-UHFFFAOYSA-N 0 0 154.253 2.934 10 30 AFEERN C=CC/C=C/c1ccccc1N 75544090 166161343 /nfs/dbraw/zinc/16/13/43/166161343.db2.gz SZIOSCUXFBMRSV-QPJJXVBHSA-N 0 0 159.232 2.858 10 30 AFEERN C=CC/C(C)=C/CC 2564172 166161474 /nfs/dbraw/zinc/16/14/74/166161474.db2.gz NZXFAMRCCGUQGQ-BQYQJAHWSA-N 0 0 110.200 2.919 10 30 AFEERN C=CC/C=C/CC 2528329 166161519 /nfs/dbraw/zinc/16/15/19/166161519.db2.gz FMAMSYPJXSEYSW-VOTSOKGWSA-N 0 0 96.173 2.529 10 30 AFEERN C=CC(C)(C)[C@@](C)(C=C)C=O 62715689 166161545 /nfs/dbraw/zinc/16/15/45/166161545.db2.gz ULPNATJZPQDRQE-JTQLQIEISA-N 0 0 152.237 2.590 10 30 AFEERN C=CC(C)(C)[C@](C)(C=C)C=O 62715691 166161715 /nfs/dbraw/zinc/16/17/15/166161715.db2.gz ULPNATJZPQDRQE-SNVBAGLBSA-N 0 0 152.237 2.590 10 30 AFEERN C=CC(C)(C=C)[C@H]1CCCC[C@H]1O 104841340 166161759 /nfs/dbraw/zinc/16/17/59/166161759.db2.gz LAXCDQSDGNNYFM-WDEREUQCSA-N 0 0 180.291 2.916 10 30 AFEERN C=CC1(OC)CCCCCC1 39091055 166161766 /nfs/dbraw/zinc/16/17/66/166161766.db2.gz UCIXEBRJGRNQOU-UHFFFAOYSA-N 0 0 154.253 2.912 10 30 AFEERN C=CC(C)(C)c1ccccc1N 75545034 166161792 /nfs/dbraw/zinc/16/17/92/166161792.db2.gz WBKXAGXYDAYQQO-UHFFFAOYSA-N 0 0 161.248 2.732 10 30 AFEERN C=CC(C=C)c1ccccc1O 75544598 166161816 /nfs/dbraw/zinc/16/18/16/166161816.db2.gz SNRSYMHKSKBNJK-UHFFFAOYSA-N 0 0 160.216 2.848 10 30 AFEERN C=CC(C)(C)[C@H](O)C=C(C)C 5159126 166162005 /nfs/dbraw/zinc/16/20/05/166162005.db2.gz WPPVSYVQAKQNJK-SECBINFHSA-N 0 0 154.253 2.526 10 30 biogenic,in-vitro AFEERN C=CC1(CCC=O)CCCC1 39111543 166162189 /nfs/dbraw/zinc/16/21/89/166162189.db2.gz WAJVDBSGBYQCME-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC1(O)CCC(CC)CC1 83813197 166162216 /nfs/dbraw/zinc/16/22/16/166162216.db2.gz HCKAPRFNXCHVBD-UHFFFAOYSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC(C)(C)[C@@H](O)CCCC 5309582 166162224 /nfs/dbraw/zinc/16/22/24/166162224.db2.gz VUBHPIQCJMZRLJ-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN C=CC(C)(C)c1ccccc1O 1737442 166162276 /nfs/dbraw/zinc/16/22/76/166162276.db2.gz SWEFVVFNAINSMI-UHFFFAOYSA-N 0 0 162.232 2.856 10 30 AFEERN C=CC1(O)CCC(C)(C)CC1 60018988 166162279 /nfs/dbraw/zinc/16/22/79/166162279.db2.gz XGKFCLKEGCJWSW-UHFFFAOYSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC(C)(C)[C@@H](O)C=C(C)C 1586199 166162377 /nfs/dbraw/zinc/16/23/77/166162377.db2.gz WPPVSYVQAKQNJK-VIFPVBQESA-N 0 0 154.253 2.526 10 30 biogenic,in-vitro AFEERN C=CC1=C(C(C)=O)CCCC1 39069660 166162382 /nfs/dbraw/zinc/16/23/82/166162382.db2.gz WVZDOSQRQHZBMZ-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=CC(C)(C)Oc1ccc(C=O)cc1 75579783 166162655 /nfs/dbraw/zinc/16/26/55/166162655.db2.gz PHIYNPIZIFOPMH-UHFFFAOYSA-N 0 0 190.242 2.843 10 30 AFEERN C=CC(C)(C)c1ccc(O)cc1O 15120934 166162662 /nfs/dbraw/zinc/16/26/62/166162662.db2.gz NOZKCJWTDAQIKC-UHFFFAOYSA-N 0 0 178.231 2.561 10 30 AFEERN C=CC(C)(C=C)[C@@H]1CCCC[C@@H]1O 104841326 166162820 /nfs/dbraw/zinc/16/28/20/166162820.db2.gz LAXCDQSDGNNYFM-MNOVXSKESA-N 0 0 180.291 2.916 10 30 AFEERN C=CC(C)(C)n1cnc2ccccc21 95921952 166162834 /nfs/dbraw/zinc/16/28/34/166162834.db2.gz NNPWCPRMJKOKFE-UHFFFAOYSA-N 0 0 186.258 2.957 10 30 AFEERN C=CCC(=O)c1cc(C)ccc1OC 76634321 166163149 /nfs/dbraw/zinc/16/31/49/166163149.db2.gz BCILYPVNENXVHN-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=CCC(=O)c1ccccc1C 104464716 166163169 /nfs/dbraw/zinc/16/31/69/166163169.db2.gz HLVKRSNZLXSEGY-UHFFFAOYSA-N 0 0 160.216 2.754 10 30 AFEERN C=CCC1=C(Cl)CCCC1=O 34599253 166163303 /nfs/dbraw/zinc/16/33/03/166163303.db2.gz OJDAOPRPHLTVQV-UHFFFAOYSA-N 0 0 170.639 2.808 10 30 AFEERN C=CCC(O)(CC=C)[C@H](C)CC 34182922 166163346 /nfs/dbraw/zinc/16/33/46/166163346.db2.gz YBQHVIBFVRVUIN-SNVBAGLBSA-N 0 0 168.280 2.916 10 30 AFEERN C=CCC(=O)Cc1cccc(C)c1 43561071 166163408 /nfs/dbraw/zinc/16/34/08/166163408.db2.gz ARRBEBHUSZBRKA-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN C=CCC(=O)C1CCCCC1 36466253 166163439 /nfs/dbraw/zinc/16/34/39/166163439.db2.gz PQQMCKYEAWOTNH-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC(=O)[C@H]1CCC[C@H](C)C1 44979332 166163465 /nfs/dbraw/zinc/16/34/65/166163465.db2.gz PVWBXNHLHGFCGM-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC(=O)c1ccc2c(c1)CCC2 76631667 166163475 /nfs/dbraw/zinc/16/34/75/166163475.db2.gz BQEFAPGPSHYPGX-UHFFFAOYSA-N 0 0 186.254 2.934 10 30 AFEERN C=CCC(C)(C)CN(Cl)C(C)=O 39126131 166163520 /nfs/dbraw/zinc/16/35/20/166163520.db2.gz SGTVPIMXSRNRFO-UHFFFAOYSA-N 0 0 189.686 2.591 10 30 AFEERN C=CCC(=O)Cc1ccccc1C 43560265 166163550 /nfs/dbraw/zinc/16/35/50/166163550.db2.gz AGQBBXHPRFYZDD-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN C=CCC(=O)c1ccc(OC)c(F)c1 106573842 166163567 /nfs/dbraw/zinc/16/35/67/166163567.db2.gz MBNKHCHTMNEAAY-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=CCC(=O)CCC(C)C 43374185 166163588 /nfs/dbraw/zinc/16/35/88/166163588.db2.gz JQBWIXTWKRQMJY-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCC(C)(C)[C@@H](O)c1cccnc1 15042273 166163637 /nfs/dbraw/zinc/16/36/37/166163637.db2.gz BERLWBNXJMVXAJ-NSHDSACASA-N 0 0 191.274 2.717 10 30 AFEERN C=CCC(O)(CC=C)C(C)C 38312212 166163655 /nfs/dbraw/zinc/16/36/55/166163655.db2.gz VMOVHCWWTUHCGC-UHFFFAOYSA-N 0 0 154.253 2.526 10 30 AFEERN C=CCC(=O)CSc1ccccc1 39428972 166163661 /nfs/dbraw/zinc/16/36/61/166163661.db2.gz ACRPURDBIFWXAG-UHFFFAOYSA-N 0 0 192.283 2.924 10 30 AFEERN C=CCC(=O)c1c[nH]c2ccccc12 76630317 166163665 /nfs/dbraw/zinc/16/36/65/166163665.db2.gz VZRCOELYNLFIQG-UHFFFAOYSA-N 0 0 185.226 2.927 10 30 AFEERN C=CCC(=O)c1cc(F)ccc1OC 106573840 166163810 /nfs/dbraw/zinc/16/38/10/166163810.db2.gz CUERZJFVGDNJIJ-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=CCC(=O)c1ccc(C)s1 76595613 166163820 /nfs/dbraw/zinc/16/38/20/166163820.db2.gz COYJDZLQPCSSAP-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN C=CCC(C)(C)CCC=O 75527958 166163841 /nfs/dbraw/zinc/16/38/41/166163841.db2.gz BGJLDTBZRPFWRA-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCC(=O)Cc1cc(F)cc(F)c1 49348319 166163934 /nfs/dbraw/zinc/16/39/34/166163934.db2.gz NRRPCTUEEVRUDG-UHFFFAOYSA-N 0 0 196.196 2.653 10 30 AFEERN C=CCC(=O)Cc1ccc(C)cc1 51752687 166163973 /nfs/dbraw/zinc/16/39/73/166163973.db2.gz QIDQWYDPGCRTEM-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN C=CCC1([N+](=O)[O-])CCCCC1 104837570 166164085 /nfs/dbraw/zinc/16/40/85/166164085.db2.gz HLNKXMFAQXNKPL-UHFFFAOYSA-N 0 0 169.224 2.542 10 30 AFEERN C=CCC1(C)CCC(O)CC1 91365971 166164249 /nfs/dbraw/zinc/16/42/49/166164249.db2.gz WVMSXMHJNUTCSO-UHFFFAOYSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC(=O)CCCCC 14614428 166164320 /nfs/dbraw/zinc/16/43/20/166164320.db2.gz WDBHYTAEQAWRCQ-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 endogenous,in-man AFEERN C=CCC(=O)[C@@H]1CCC[C@H](C)C1 44979338 166164392 /nfs/dbraw/zinc/16/43/92/166164392.db2.gz PVWBXNHLHGFCGM-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC1(C(=O)OC)CCCCC1 34567902 166164415 /nfs/dbraw/zinc/16/44/15/166164415.db2.gz DZFKBJNRZHSHSF-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCC(=O)[C@@H]1CCC[C@@H](C)C1 44979335 166164439 /nfs/dbraw/zinc/16/44/39/166164439.db2.gz PVWBXNHLHGFCGM-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC1(OC)CCCCC1 21990209 166164469 /nfs/dbraw/zinc/16/44/69/166164469.db2.gz QJLUJDAFAZJIFP-UHFFFAOYSA-N 0 0 154.253 2.912 10 30 AFEERN C=CCC1(C)CCC(=O)CC1 91365972 166164473 /nfs/dbraw/zinc/16/44/73/166164473.db2.gz CZFFLGYJWOQRKH-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 in-vitro AFEERN C=CCC(=O)C1CCC(C)CC1 44983315 166164534 /nfs/dbraw/zinc/16/45/34/166164534.db2.gz DDGKGTJDWRAXGR-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC/C=C\C 82014290 166164569 /nfs/dbraw/zinc/16/45/69/166164569.db2.gz ZGXMNEKDFYUNDQ-XQRVVYSFSA-N 0 0 96.173 2.529 10 30 AFEERN C=CCC(C#N)(CC)CC 5819011 166164576 /nfs/dbraw/zinc/16/45/76/166164576.db2.gz GBWKBEIKORAGLS-UHFFFAOYSA-N 0 0 137.226 2.892 10 30 AFEERN C=CCC1(O)C2CC3CC(C2)CC1C3 34925589 166164584 /nfs/dbraw/zinc/16/45/84/166164584.db2.gz GEXWWEBYLJOWHA-UHFFFAOYSA-N 0 0 192.302 2.750 10 30 AFEERN C=CCC(O)(CC=C)[C@@H](C)CC 34182924 166164597 /nfs/dbraw/zinc/16/45/97/166164597.db2.gz YBQHVIBFVRVUIN-JTQLQIEISA-N 0 0 168.280 2.916 10 30 AFEERN C=CCC(=O)c1cccc(OCC)c1 42394498 166164755 /nfs/dbraw/zinc/16/47/55/166164755.db2.gz RAPOJOBBHCTNKD-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=C(C(=O)C=CC)C(C)(C)C 62715693 166164819 /nfs/dbraw/zinc/16/48/19/166164819.db2.gz ZRVRFRQABNZQLZ-UHFFFAOYSA-N 0 0 152.237 2.734 10 30 AFEERN CC=CC(=O)c1cccs1 100493336 166164885 /nfs/dbraw/zinc/16/48/85/166164885.db2.gz OOMAIWHVJLIDNZ-UHFFFAOYSA-N 0 0 152.218 2.507 10 30 AFEERN C=CCC(C)(C)[C@H](O)c1cccnc1 15042276 166164941 /nfs/dbraw/zinc/16/49/41/166164941.db2.gz BERLWBNXJMVXAJ-LLVKDONJSA-N 0 0 191.274 2.717 10 30 AFEERN C=CCC1(C(C)=O)C=CCC=C1 39071333 166164955 /nfs/dbraw/zinc/16/49/55/166164955.db2.gz HFGVPOADGUYXHR-UHFFFAOYSA-N 0 0 162.232 2.654 10 30 AFEERN C=CCC(=O)c1ccc(OC)c(C)c1 76634325 166165000 /nfs/dbraw/zinc/16/50/00/166165000.db2.gz OFWMKYULIGCQCI-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=CCC(=O)CC1=CCCC1 38324817 166165007 /nfs/dbraw/zinc/16/50/07/166165007.db2.gz OAVVXFNTZCDALB-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=CCC1(C(C)=O)CCCC1 34412880 166165096 /nfs/dbraw/zinc/16/50/96/166165096.db2.gz FHGQIURMMHQZII-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC(=O)Cc1ccccc1F 49671324 166165172 /nfs/dbraw/zinc/16/51/72/166165172.db2.gz WZHAOEOQRJYGET-UHFFFAOYSA-N 0 0 178.206 2.513 10 30 AFEERN C=CCC(=O)[C@H]1CCC[C@@H](C)C1 44979329 166165185 /nfs/dbraw/zinc/16/51/85/166165185.db2.gz PVWBXNHLHGFCGM-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC(=O)CCc1ccccc1 34529906 166165233 /nfs/dbraw/zinc/16/52/33/166165233.db2.gz FVWUKPUEDCBMSD-UHFFFAOYSA-N 0 0 174.243 2.764 10 30 AFEERN C=CCC1(C=O)CCCCC1 32501075 166165256 /nfs/dbraw/zinc/16/52/56/166165256.db2.gz HPJQHAKEQZQQCL-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC(=O)c1cccc(C)c1 104464724 166165328 /nfs/dbraw/zinc/16/53/28/166165328.db2.gz DGBWYDIXIVCWSF-UHFFFAOYSA-N 0 0 160.216 2.754 10 30 AFEERN C=CCC(=O)c1ccc(F)c(OC)c1 76635997 166165365 /nfs/dbraw/zinc/16/53/65/166165365.db2.gz QYRCMZXQCYUXGF-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=CCC(C=O)(CC)CC 33605874 166165420 /nfs/dbraw/zinc/16/54/20/166165420.db2.gz OSMBRCLJMASATQ-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCC(=O)c1ccc(C)cc1 104360640 166165445 /nfs/dbraw/zinc/16/54/45/166165445.db2.gz RGYFXKDNIKSMOA-UHFFFAOYSA-N 0 0 160.216 2.754 10 30 AFEERN C=CCC(O)(CC=C)CC(C)C 33641387 166165456 /nfs/dbraw/zinc/16/54/56/166165456.db2.gz KORKXEOJQDOLLP-UHFFFAOYSA-N 0 0 168.280 2.916 10 30 AFEERN C=CCC(=O)c1ccc(N(C)C)cc1 104469370 166165534 /nfs/dbraw/zinc/16/55/34/166165534.db2.gz HYIXHCRPFNZNGA-UHFFFAOYSA-N 0 0 189.258 2.511 10 30 AFEERN C=CCC1=C[C@]2(C)[C@H](O)C[C@H]1C2(C)C 34562598 166165798 /nfs/dbraw/zinc/16/57/98/166165798.db2.gz LQAHHCHXCFYSQK-NQBHXWOUSA-N 0 0 192.302 2.916 10 30 AFEERN C=CCCCOc1ccccc1O 70592905 166166078 /nfs/dbraw/zinc/16/60/78/166166078.db2.gz HAQJEKKRPMGXSW-UHFFFAOYSA-N 0 0 178.231 2.737 10 30 AFEERN C=CCCC[C@]1(C)CCCCNC1=O 5940872 166166203 /nfs/dbraw/zinc/16/62/03/166166203.db2.gz FAOGVEXBWUZQDE-GFCCVEGCSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCC[C@H](O)CC(C)C 38234047 166166234 /nfs/dbraw/zinc/16/62/34/166166234.db2.gz ALOYUUYCMNSMPV-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCCOCCCC 32183690 166166274 /nfs/dbraw/zinc/16/62/74/166166274.db2.gz CPBCAWGRKAFJKP-UHFFFAOYSA-N 0 0 142.242 2.769 10 30 AFEERN C=CCCC[C@@H]1CCCNC1=S 5836809 166166334 /nfs/dbraw/zinc/16/63/34/166166334.db2.gz DJAKUKPDSYXTKU-SECBINFHSA-N 0 0 183.320 2.670 10 30 AFEERN C=CCCOCc1ccc(C#N)cc1 26516307 166166380 /nfs/dbraw/zinc/16/63/80/166166380.db2.gz YMPSHMBSUBNLAE-UHFFFAOYSA-N 0 0 187.242 2.651 10 30 AFEERN C=CCCC[C@H](C)C#N 75520875 166166657 /nfs/dbraw/zinc/16/66/57/166166657.db2.gz IPMNRFISFJTCBD-QMMMGPOBSA-N 0 0 123.199 2.502 10 30 AFEERN C=CCCOCc1cccc(C#N)c1 26516305 166166684 /nfs/dbraw/zinc/16/66/84/166166684.db2.gz AKVVYRBUXSZKRN-UHFFFAOYSA-N 0 0 187.242 2.651 10 30 AFEERN C=CCCOc1cc(C)ccc1C#N 51598436 166166696 /nfs/dbraw/zinc/16/66/96/166166696.db2.gz LDPAYYKZAORHKE-UHFFFAOYSA-N 0 0 187.242 2.822 10 30 AFEERN C=CCCCOc1cccc(N)c1 70595296 166166705 /nfs/dbraw/zinc/16/67/05/166166705.db2.gz SWSIBVURUZDKRZ-UHFFFAOYSA-N 0 0 177.247 2.614 10 30 AFEERN C=CCCC[C@@]1(C)CCCCNC1=O 1638811 166166714 /nfs/dbraw/zinc/16/67/14/166166714.db2.gz FAOGVEXBWUZQDE-LBPRGKRZSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCNc1cccc(F)c1 39088235 166166724 /nfs/dbraw/zinc/16/67/24/166166724.db2.gz IFMXBJAWXJVUCH-UHFFFAOYSA-N 0 0 165.211 2.814 10 30 AFEERN C=CCCC[C@H](C(C)C)[C@@H](C)O 34179609 166166748 /nfs/dbraw/zinc/16/67/48/166166748.db2.gz BCBVLXRADCLNIW-GHMZBOCLSA-N 0 0 170.296 2.996 10 30 AFEERN C=CCCC[C@H]1CCCNC1=S 17216530 166166760 /nfs/dbraw/zinc/16/67/60/166166760.db2.gz DJAKUKPDSYXTKU-VIFPVBQESA-N 0 0 183.320 2.670 10 30 AFEERN C=CCCC[C@H](C(C)C)[C@H](C)O 34179611 166166765 /nfs/dbraw/zinc/16/67/65/166166765.db2.gz BCBVLXRADCLNIW-WDEREUQCSA-N 0 0 170.296 2.996 10 30 AFEERN C=CCCC[C@@H]1COCCC1=C 112925767 166166896 /nfs/dbraw/zinc/16/68/96/166166896.db2.gz QLCIBCVSDCUMFW-LLVKDONJSA-N 0 0 166.264 2.935 10 30 AFEERN C=CCCC[C@@H]1CCOCC1=C 112925291 166167084 /nfs/dbraw/zinc/16/70/84/166167084.db2.gz CVUKBAUQVIJDDF-LLVKDONJSA-N 0 0 166.264 2.935 10 30 AFEERN C=CCCOc1ccc(C=O)cc1F 40177194 166167218 /nfs/dbraw/zinc/16/72/18/166167218.db2.gz AIOQANLXZYBJIQ-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=CCCC[C@H](O)c1ccoc1 34408182 166167315 /nfs/dbraw/zinc/16/73/15/166167315.db2.gz HUAJLYOESYXUIL-JTQLQIEISA-N 0 0 166.220 2.669 10 30 AFEERN C=CCCOCC(=O)c1cccs1 50161000 166167363 /nfs/dbraw/zinc/16/73/63/166167363.db2.gz BQBNLAMGONJOMI-UHFFFAOYSA-N 0 0 196.271 2.524 10 30 AFEERN C=CCCC[C@H]1CCOCC1=C 112925293 166167394 /nfs/dbraw/zinc/16/73/94/166167394.db2.gz CVUKBAUQVIJDDF-NSHDSACASA-N 0 0 166.264 2.935 10 30 AFEERN C=CCCC[C@H](O)c1ccco1 38350329 166167462 /nfs/dbraw/zinc/16/74/62/166167462.db2.gz RWENKYXIYNDMBL-VIFPVBQESA-N 0 0 166.220 2.669 10 30 AFEERN C=CCCN(C(C)=O)c1ccccc1 38220779 166167576 /nfs/dbraw/zinc/16/75/76/166167576.db2.gz GDMMAYAMMIWZMC-UHFFFAOYSA-N 0 0 189.258 2.616 10 30 AFEERN C=CCCC[C@@]1(C)CCNC1=S 6442140 166167631 /nfs/dbraw/zinc/16/76/31/166167631.db2.gz NGRXJNDOVLXBOF-JTQLQIEISA-N 0 0 183.320 2.670 10 30 AFEERN C=CCCC[C@]1(C)CCNC1=S 17216534 166167773 /nfs/dbraw/zinc/16/77/73/166167773.db2.gz NGRXJNDOVLXBOF-SNVBAGLBSA-N 0 0 183.320 2.670 10 30 AFEERN C=CCCCOc1ccc(N)cc1 33640111 166167785 /nfs/dbraw/zinc/16/77/85/166167785.db2.gz IKAGXCCFAVVIIE-UHFFFAOYSA-N 0 0 177.247 2.614 10 30 AFEERN C=CCCC[C@@H](O)CC(C)C 38234046 166167837 /nfs/dbraw/zinc/16/78/37/166167837.db2.gz ALOYUUYCMNSMPV-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC[C@@H](C(C)C)[C@H](C)O 34179612 166167869 /nfs/dbraw/zinc/16/78/69/166167869.db2.gz BCBVLXRADCLNIW-QWRGUYRKSA-N 0 0 170.296 2.996 10 30 AFEERN C=CCCC[C@H]1COCCC1=C 112925769 166167997 /nfs/dbraw/zinc/16/79/97/166167997.db2.gz QLCIBCVSDCUMFW-NSHDSACASA-N 0 0 166.264 2.935 10 30 AFEERN C=CCCCc1ccc[nH]1 34448184 166168038 /nfs/dbraw/zinc/16/80/38/166168038.db2.gz CKLXGWUYQDLFAK-UHFFFAOYSA-N 0 0 135.210 2.523 10 30 AFEERN C=CCCC[C@@H](O)c1ccoc1 34408183 166168285 /nfs/dbraw/zinc/16/82/85/166168285.db2.gz HUAJLYOESYXUIL-SNVBAGLBSA-N 0 0 166.220 2.669 10 30 AFEERN C=CCCCOc1cccc(C=O)c1 38950515 166168301 /nfs/dbraw/zinc/16/83/01/166168301.db2.gz FECLYRWIXKKXAE-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=CCCCOc1ccccc1N 70595298 166168406 /nfs/dbraw/zinc/16/84/06/166168406.db2.gz ZBCAVLFSZZQEGR-UHFFFAOYSA-N 0 0 177.247 2.614 10 30 AFEERN C=CCCOCc1ccc(Cl)nc1 34958418 166168497 /nfs/dbraw/zinc/16/84/97/166168497.db2.gz UNQQRYJTLMRDRU-UHFFFAOYSA-N 0 0 197.665 2.828 10 30 AFEERN C=CCCNc1cccc(C)c1 39038341 166168553 /nfs/dbraw/zinc/16/85/53/166168553.db2.gz HIMRCFRQRGCKKM-UHFFFAOYSA-N 0 0 161.248 2.983 10 30 AFEERN C=CCCC[C@@H](C(C)C)[C@@H](C)O 34179610 166168633 /nfs/dbraw/zinc/16/86/33/166168633.db2.gz BCBVLXRADCLNIW-MNOVXSKESA-N 0 0 170.296 2.996 10 30 AFEERN C=CCCCOc1cccc(O)c1 34449392 166168640 /nfs/dbraw/zinc/16/86/40/166168640.db2.gz AFTHNAAEUSRNME-UHFFFAOYSA-N 0 0 178.231 2.737 10 30 AFEERN C=CCCC[C@@H](C)C#N 75520878 166168671 /nfs/dbraw/zinc/16/86/71/166168671.db2.gz IPMNRFISFJTCBD-MRVPVSSYSA-N 0 0 123.199 2.502 10 30 AFEERN C=CCCCCc1ccccn1 33605998 166168676 /nfs/dbraw/zinc/16/86/76/166168676.db2.gz ZYORITKNDAIZAN-UHFFFAOYSA-N 0 0 161.248 2.980 10 30 AFEERN C=CCC[C@H](O)c1ccc(OC)cc1 34157172 166168889 /nfs/dbraw/zinc/16/88/89/166168889.db2.gz IHYKHFNXSWVQSB-LBPRGKRZSA-N 0 0 192.258 2.695 10 30 AFEERN C=CCCc1ncccc1C 39050621 166169002 /nfs/dbraw/zinc/16/90/02/166169002.db2.gz YDNHNKGHAHZBBW-UHFFFAOYSA-N 0 0 147.221 2.509 10 30 AFEERN C=CCC[C@H]1CCCCC1=O 38220280 166169065 /nfs/dbraw/zinc/16/90/65/166169065.db2.gz HGRARNJBTKJQIY-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC[C@@H](NOC)c1ccccc1 95725559 166169096 /nfs/dbraw/zinc/16/90/96/166169096.db2.gz ZDJPGLMHGRDFEW-GFCCVEGCSA-N 0 0 191.274 2.845 10 30 AFEERN C=CCC[C@@H](O)c1ccccc1 38433899 166169156 /nfs/dbraw/zinc/16/91/56/166169156.db2.gz HAQYIWOAJSLKHP-LLVKDONJSA-N 0 0 162.232 2.686 10 30 AFEERN C=CCCc1cccc(C)n1 34762638 166169222 /nfs/dbraw/zinc/16/92/22/166169222.db2.gz NAJPTAHUWZKKER-UHFFFAOYSA-N 0 0 147.221 2.509 10 30 AFEERN C=CCC[C@]1(C)CCCNC1=S 6482144 166169325 /nfs/dbraw/zinc/16/93/25/166169325.db2.gz OAAZABZLWGVRIO-SNVBAGLBSA-N 0 0 183.320 2.670 10 30 AFEERN C=CCC[C@@H](C(C)=O)C(C)C 36458669 166169343 /nfs/dbraw/zinc/16/93/43/166169343.db2.gz BDOGVWTZBSAVDW-SNVBAGLBSA-N 0 0 154.253 2.814 10 30 AFEERN C=CCC[C@H](O)CCCC 34079656 166169455 /nfs/dbraw/zinc/16/94/55/166169455.db2.gz BPGHAIJPCFFLCK-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN C=CCCc1ccc(C=O)cc1 45793336 166169469 /nfs/dbraw/zinc/16/94/69/166169469.db2.gz TUXSJJDWEGILLX-UHFFFAOYSA-N 0 0 160.216 2.618 10 30 AFEERN C=CCCc1ccc(C)cn1 39050620 166169558 /nfs/dbraw/zinc/16/95/58/166169558.db2.gz YEKGYBXMFLOXJH-UHFFFAOYSA-N 0 0 147.221 2.509 10 30 AFEERN C=CCC[C@H](C)CC(C)=O 39069064 166169667 /nfs/dbraw/zinc/16/96/67/166169667.db2.gz XWIZYKUTPBZTJX-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCC[C@H](O)C1CCCCC1 39275399 166169697 /nfs/dbraw/zinc/16/96/97/166169697.db2.gz JMOVTFYEULSHEU-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C=CCCc1cc(C)ccn1 34762642 166169707 /nfs/dbraw/zinc/16/97/07/166169707.db2.gz ZIVYADMFPMNVMV-UHFFFAOYSA-N 0 0 147.221 2.509 10 30 AFEERN C=CCC[C@H](O)c1ccc(F)cc1F 34424423 166169713 /nfs/dbraw/zinc/16/97/13/166169713.db2.gz PKRSPWVVSHBBMY-NSHDSACASA-N 0 0 198.212 2.964 10 30 AFEERN C=CCC[C@H](NOC)c1ccccc1 95725558 166169720 /nfs/dbraw/zinc/16/97/20/166169720.db2.gz ZDJPGLMHGRDFEW-LBPRGKRZSA-N 0 0 191.274 2.845 10 30 AFEERN C=CCC[C@@H]1CCCCC1=O 38220279 166169740 /nfs/dbraw/zinc/16/97/40/166169740.db2.gz HGRARNJBTKJQIY-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC[C@@H](C)CC(C)=O 39069065 166169750 /nfs/dbraw/zinc/16/97/50/166169750.db2.gz XWIZYKUTPBZTJX-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCC[C@H](O)c1ccccc1OC 34753841 166169752 /nfs/dbraw/zinc/16/97/52/166169752.db2.gz DAWLITXFNBAHJQ-NSHDSACASA-N 0 0 192.258 2.695 10 30 AFEERN C=CCCc1ccccc1O 34592218 166169755 /nfs/dbraw/zinc/16/97/55/166169755.db2.gz AMCUGGGUEUPJHV-UHFFFAOYSA-N 0 0 148.205 2.511 10 30 AFEERN C=CCC[C@](C)(O)c1ccccc1 134147066 166169758 /nfs/dbraw/zinc/16/97/58/166169758.db2.gz CCMGSRZYNNLTEH-LBPRGKRZSA-N 0 0 176.259 2.860 10 30 AFEERN C=CCCc1cc(=O)c2ccccc2[nH]1 84712739 166169764 /nfs/dbraw/zinc/16/97/64/166169764.db2.gz GZSJZOXQBLKLFE-UHFFFAOYSA-N 0 0 199.253 2.647 10 30 AFEERN C=CCC[C@H](C)NC(=O)OC(C)(C)C 38672682 166169809 /nfs/dbraw/zinc/16/98/09/166169809.db2.gz FFXKVKQCRFUQDD-VIFPVBQESA-N 0 0 199.294 2.866 10 30 AFEERN C=CCC[C@@H](O)CCc1ccccc1 34302668 166169843 /nfs/dbraw/zinc/16/98/43/166169843.db2.gz GUVOJEHXAIDBEA-CYBMUJFWSA-N 0 0 190.286 2.946 10 30 AFEERN C=CCC[C@@H](O)c1ccccc1OC 34753840 166169851 /nfs/dbraw/zinc/16/98/51/166169851.db2.gz DAWLITXFNBAHJQ-LLVKDONJSA-N 0 0 192.258 2.695 10 30 AFEERN C=CCC[C@@H](O)C1CCCCC1 39275402 166170067 /nfs/dbraw/zinc/17/00/67/166170067.db2.gz JMOVTFYEULSHEU-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC[C@@H](O)CCCC 34079655 166170130 /nfs/dbraw/zinc/17/01/30/166170130.db2.gz BPGHAIJPCFFLCK-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN C=CCC[C@@](C)(O)C=C(C)C 36437725 166170216 /nfs/dbraw/zinc/17/02/16/166170216.db2.gz FWFWNMAYCZXPKP-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN C=CCC[C@@H]1CCC[C@@H](O)C1 39147525 166170312 /nfs/dbraw/zinc/17/03/12/166170312.db2.gz WICZAZFCWYTYIK-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC[C@@H](O)c1ccc(F)cc1F 34424425 166170371 /nfs/dbraw/zinc/17/03/71/166170371.db2.gz PKRSPWVVSHBBMY-LLVKDONJSA-N 0 0 198.212 2.964 10 30 AFEERN C=CCCc1ccc2c(c1)OCO2 34239870 166170513 /nfs/dbraw/zinc/17/05/13/166170513.db2.gz VLNMESADVNTCHR-UHFFFAOYSA-N 0 0 176.215 2.534 10 30 AFEERN C=CCC[C@](C)(O)C=C(C)C 36437726 166170531 /nfs/dbraw/zinc/17/05/31/166170531.db2.gz FWFWNMAYCZXPKP-JTQLQIEISA-N 0 0 154.253 2.670 10 30 AFEERN C=CCC[C@@H](O)c1ccc(OC)cc1 34157171 166170658 /nfs/dbraw/zinc/17/06/58/166170658.db2.gz IHYKHFNXSWVQSB-GFCCVEGCSA-N 0 0 192.258 2.695 10 30 AFEERN C=CCC[C@@H](C)NC(=O)OC(C)(C)C 38672684 166170813 /nfs/dbraw/zinc/17/08/13/166170813.db2.gz FFXKVKQCRFUQDD-SECBINFHSA-N 0 0 199.294 2.866 10 30 AFEERN C=CCC[C@H](O)CCc1ccccc1 34302667 166170972 /nfs/dbraw/zinc/17/09/72/166170972.db2.gz GUVOJEHXAIDBEA-ZDUSSCGKSA-N 0 0 190.286 2.946 10 30 AFEERN C=CCC[C@@]1(C)CCCNC1=S 6442118 166170995 /nfs/dbraw/zinc/17/09/95/166170995.db2.gz OAAZABZLWGVRIO-JTQLQIEISA-N 0 0 183.320 2.670 10 30 AFEERN C=CCC[C@@](C)(O)c1ccccc1 134146859 166171024 /nfs/dbraw/zinc/17/10/24/166171024.db2.gz CCMGSRZYNNLTEH-GFCCVEGCSA-N 0 0 176.259 2.860 10 30 AFEERN C=CCC[C@H](C(C)=O)C(C)C 36458670 166171037 /nfs/dbraw/zinc/17/10/37/166171037.db2.gz BDOGVWTZBSAVDW-JTQLQIEISA-N 0 0 154.253 2.814 10 30 AFEERN C=CCC[C@H]1CCC[C@@H](O)C1 34478844 166171040 /nfs/dbraw/zinc/17/10/40/166171040.db2.gz WICZAZFCWYTYIK-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCCc1ccncc1C 39051868 166171082 /nfs/dbraw/zinc/17/10/82/166171082.db2.gz LCUNOPHVIHVOLG-UHFFFAOYSA-N 0 0 147.221 2.509 10 30 AFEERN C=CCN(C(C)=O)c1ccccc1C 45820219 166171904 /nfs/dbraw/zinc/17/19/04/166171904.db2.gz CCCXFTVNVKJVIE-UHFFFAOYSA-N 0 0 189.258 2.534 10 30 AFEERN C=CCCn1cccc1C=C 39079766 166172276 /nfs/dbraw/zinc/17/22/76/166172276.db2.gz AGRHTMKLMAIOIC-UHFFFAOYSA-N 0 0 147.221 2.707 10 30 AFEERN C=CCCn1cnc2ccccc21 95923349 166172449 /nfs/dbraw/zinc/17/24/49/166172449.db2.gz DIHJKNFBITXNKT-UHFFFAOYSA-N 0 0 172.231 2.612 10 30 AFEERN C=CC[N@H+]1CC=C(c2ccccc2)CC1 13729344 166174900 /nfs/dbraw/zinc/17/49/00/166174900.db2.gz KIIHGSRIHHBPCL-UHFFFAOYSA-N 0 0 199.297 2.962 10 30 AFEERN C=CCN(CC=C)c1ccccc1C#N 20077332 166175642 /nfs/dbraw/zinc/17/56/42/166175642.db2.gz FISRBRYWWJMQCG-UHFFFAOYSA-N 0 0 198.269 2.737 10 30 AFEERN C=CCN(CCC#N)c1ccccc1 19441700 166175921 /nfs/dbraw/zinc/17/59/21/166175921.db2.gz GXDBWNRYVDZCGZ-UHFFFAOYSA-N 0 0 186.258 2.593 10 30 AFEERN C=CCN(CC=C)c1ccc(C#N)cc1 19867776 166176745 /nfs/dbraw/zinc/17/67/45/166176745.db2.gz CMHKGZDEAJRKLP-UHFFFAOYSA-N 0 0 198.269 2.737 10 30 AFEERN C=CC[N@@H+]1CCC=C(c2ccco2)C1 335942678 166177670 /nfs/dbraw/zinc/17/76/70/166177670.db2.gz FRUPTIPSBOINNK-UHFFFAOYSA-N 0 0 189.258 2.555 10 30 AFEERN C=CCNC1(C#N)CCC(CC)CC1 51960128 166184992 /nfs/dbraw/zinc/18/49/92/166184992.db2.gz PGTNGXVGJPENFV-UHFFFAOYSA-N 0 0 192.306 2.625 10 30 AFEERN C=CCNC(C#N)(CCC)CCC 51959879 166185184 /nfs/dbraw/zinc/18/51/84/166185184.db2.gz YKGGHELXSHCBEY-UHFFFAOYSA-N 0 0 180.295 2.625 10 30 AFEERN C=CCNC1(C#N)CCCCCCC1 51960121 166185908 /nfs/dbraw/zinc/18/59/08/166185908.db2.gz MHAKVHGDFYXFMQ-UHFFFAOYSA-N 0 0 192.306 2.769 10 30 AFEERN C=CCN[C@H](C#N)CCCCCC 51959869 166189387 /nfs/dbraw/zinc/18/93/87/166189387.db2.gz QUJPAKYDFUBKGR-NSHDSACASA-N 0 0 180.295 2.625 10 30 AFEERN C=CCN[C@@](C#N)(CC)C[C@@H](C)CC 51959882 166189442 /nfs/dbraw/zinc/18/94/42/166189442.db2.gz CYCIZRARCTXNHR-RYUDHWBXSA-N 0 0 194.322 2.871 10 30 AFEERN C=CCN[C@@H](C#N)CCCCCC 51959871 166189801 /nfs/dbraw/zinc/18/98/01/166189801.db2.gz QUJPAKYDFUBKGR-LLVKDONJSA-N 0 0 180.295 2.625 10 30 AFEERN C=CCN[C@@](C)(C#N)C1CCCCC1 51960251 166191091 /nfs/dbraw/zinc/19/10/91/166191091.db2.gz WOCAZOVPLAPDPK-LBPRGKRZSA-N 0 0 192.306 2.625 10 30 AFEERN C=CCN[C@@](C#N)(CC)C[C@H](C)CC 51959881 166191322 /nfs/dbraw/zinc/19/13/22/166191322.db2.gz CYCIZRARCTXNHR-NEPJUHHUSA-N 0 0 194.322 2.871 10 30 AFEERN C=CCNc1c(N)cccc1Cl 52923479 166191581 /nfs/dbraw/zinc/19/15/81/166191581.db2.gz TUGCVUDLNKZXFE-UHFFFAOYSA-N 0 0 182.654 2.520 10 30 AFEERN C=CCNc1ccc(F)cc1F 41579722 166192265 /nfs/dbraw/zinc/19/22/65/166192265.db2.gz YVGXTBFQEIXYES-UHFFFAOYSA-N 0 0 169.174 2.563 10 30 AFEERN C=CCNc1ccc(Cl)cc1N 52923489 166192399 /nfs/dbraw/zinc/19/23/99/166192399.db2.gz SEAWFGTYQMEPBB-UHFFFAOYSA-N 0 0 182.654 2.520 10 30 AFEERN C=CCN[C@](C#N)(CC)C[C@H](C)CC 51959884 166192474 /nfs/dbraw/zinc/19/24/74/166192474.db2.gz CYCIZRARCTXNHR-VXGBXAGGSA-N 0 0 194.322 2.871 10 30 AFEERN C=CCNc1ccc(C)cc1C 36419833 166192476 /nfs/dbraw/zinc/19/24/76/166192476.db2.gz GWKSNWNYTKMCBB-UHFFFAOYSA-N 0 0 161.248 2.901 10 30 AFEERN C=CCNc1cc(C)ccc1C 50521793 166192506 /nfs/dbraw/zinc/19/25/06/166192506.db2.gz CNTIPAOMCPOIKF-UHFFFAOYSA-N 0 0 161.248 2.901 10 30 AFEERN C=CCN[C@](C#N)(CC)C[C@@H](C)CC 51959885 166192578 /nfs/dbraw/zinc/19/25/78/166192578.db2.gz CYCIZRARCTXNHR-NWDGAFQWSA-N 0 0 194.322 2.871 10 30 AFEERN C=CCNc1ccc(Cl)cc1C#N 52858317 166192621 /nfs/dbraw/zinc/19/26/21/166192621.db2.gz AAJPILUJJMAZBY-UHFFFAOYSA-N 0 0 192.649 2.810 10 30 AFEERN C=CCNc1c(C)cccc1C 41571694 166192706 /nfs/dbraw/zinc/19/27/06/166192706.db2.gz CIUCBENRPYNJMV-UHFFFAOYSA-N 0 0 161.248 2.901 10 30 AFEERN C=CCNc1cc(F)cc(F)c1F 61095667 166192784 /nfs/dbraw/zinc/19/27/84/166192784.db2.gz RBVKJDHZAVFODY-UHFFFAOYSA-N 0 0 187.164 2.702 10 30 AFEERN C=CCNc1ccc(C#N)c(Cl)c1 50521828 166192844 /nfs/dbraw/zinc/19/28/44/166192844.db2.gz CJTZVUBDYNWUTH-UHFFFAOYSA-N 0 0 192.649 2.810 10 30 AFEERN C=CCNc1cc(F)cc(F)c1 50521791 166192983 /nfs/dbraw/zinc/19/29/83/166192983.db2.gz AWWOYCGCCHJXLV-UHFFFAOYSA-N 0 0 169.174 2.563 10 30 AFEERN C=CCNc1ccc(C)c([N+](=O)[O-])c1 61701100 166192999 /nfs/dbraw/zinc/19/29/99/166192999.db2.gz RHTKQWOYRKMYAK-UHFFFAOYSA-N 0 0 192.218 2.501 10 30 AFEERN C=CCNc1cc(C)ccc1OC 41579582 166193009 /nfs/dbraw/zinc/19/30/09/166193009.db2.gz HSSZKVUUPKKLOM-UHFFFAOYSA-N 0 0 177.247 2.602 10 30 AFEERN C=CCNc1ccc(C(C)=O)cc1F 71506265 166193066 /nfs/dbraw/zinc/19/30/66/166193066.db2.gz OGYONZXSDXLBFA-UHFFFAOYSA-N 0 0 193.221 2.626 10 30 AFEERN C=CCN[C@](C)(C#N)C1CCCCC1 51960249 166193104 /nfs/dbraw/zinc/19/31/04/166193104.db2.gz WOCAZOVPLAPDPK-GFCCVEGCSA-N 0 0 192.306 2.625 10 30 AFEERN C=CCNc1c(F)cccc1F 50521814 166193195 /nfs/dbraw/zinc/19/31/95/166193195.db2.gz HRJUPPCXEYFKPH-UHFFFAOYSA-N 0 0 169.174 2.563 10 30 AFEERN C=CCNc1cc(Cl)ccc1C#N 62785569 166193213 /nfs/dbraw/zinc/19/32/13/166193213.db2.gz YZHMXLMUKWROSI-UHFFFAOYSA-N 0 0 192.649 2.810 10 30 AFEERN C=CCNc1ccc(N)cc1Cl 52923487 166193304 /nfs/dbraw/zinc/19/33/04/166193304.db2.gz OABDYABQBWGHAM-UHFFFAOYSA-N 0 0 182.654 2.520 10 30 AFEERN C=CCNc1nccc2sccc12 48331151 166194071 /nfs/dbraw/zinc/19/40/71/166194071.db2.gz JVSLSNSIKLPCGS-UHFFFAOYSA-N 0 0 190.271 2.894 10 30 AFEERN C=CCNc1nc2ccccc2nc1C 55373267 166194223 /nfs/dbraw/zinc/19/42/23/166194223.db2.gz XUTBAJPUFDVQGG-UHFFFAOYSA-N 0 0 199.257 2.536 10 30 AFEERN C=CCNc1nccc2ccccc12 19798743 166194607 /nfs/dbraw/zinc/19/46/07/166194607.db2.gz AEWOVTXIIWLNOK-UHFFFAOYSA-N 0 0 184.242 2.833 10 30 AFEERN C=CCNc1ccc2ccccc2n1 54614017 166194726 /nfs/dbraw/zinc/19/47/26/166194726.db2.gz FVIPZFOXHOWPDW-UHFFFAOYSA-N 0 0 184.242 2.833 10 30 AFEERN C=CCNc1cccc(Cl)c1C#N 48727845 166194805 /nfs/dbraw/zinc/19/48/05/166194805.db2.gz PBOVFDPQJDDYCV-UHFFFAOYSA-N 0 0 192.649 2.810 10 30 AFEERN C=CCNc1cccc(F)c1C 50522258 166194946 /nfs/dbraw/zinc/19/49/46/166194946.db2.gz DGQDCFUENHYBCZ-UHFFFAOYSA-N 0 0 165.211 2.732 10 30 AFEERN C=CCNc1cccc2cccnc12 139070323 166194948 /nfs/dbraw/zinc/19/49/48/166194948.db2.gz WCOQQHLWAHZRGK-UHFFFAOYSA-N 0 0 184.242 2.833 10 30 AFEERN C=CCNc1ccc([N+](=O)[O-])cc1C 34728810 166195062 /nfs/dbraw/zinc/19/50/62/166195062.db2.gz GVQIZWGTBFODRL-UHFFFAOYSA-N 0 0 192.218 2.501 10 30 AFEERN C=CCOc1ccc([C@H](C)O)cc1C 41205938 166196616 /nfs/dbraw/zinc/19/66/16/166196616.db2.gz QJMPGXZAYPLDQW-JTQLQIEISA-N 0 0 192.258 2.613 10 30 AFEERN C=CCOc1ccccc1C(=O)CC 19439492 166196884 /nfs/dbraw/zinc/19/68/84/166196884.db2.gz XPHJGGYXHMULDU-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=CCOc1c(C)cc(C=O)cc1C 20424495 166196963 /nfs/dbraw/zinc/19/69/63/166196963.db2.gz MMTHTLNEIKSNSP-UHFFFAOYSA-N 0 0 190.242 2.681 10 30 AFEERN C=CCOc1ccc(C)cc1C(C)=O 35205760 166197038 /nfs/dbraw/zinc/19/70/38/166197038.db2.gz UWIRIAUNWDEOFT-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=CCOc1ccc(Cl)cc1C#N 52859855 166197063 /nfs/dbraw/zinc/19/70/63/166197063.db2.gz ISGRZFFNTJSBTI-UHFFFAOYSA-N 0 0 193.633 2.776 10 30 AFEERN C=CCOc1ccc(C)cc1[C@@H](C)O 35630264 166197095 /nfs/dbraw/zinc/19/70/95/166197095.db2.gz KAORKZUDMGVDQU-SNVBAGLBSA-N 0 0 192.258 2.613 10 30 AFEERN C=CCOc1ccc(F)c(F)c1 32296737 166197116 /nfs/dbraw/zinc/19/71/16/166197116.db2.gz IFIDTZAIZBYQON-UHFFFAOYSA-N 0 0 170.158 2.530 10 30 AFEERN C=CCOc1cc(N)cc2occc12 72207430 166197121 /nfs/dbraw/zinc/19/71/21/166197121.db2.gz SGVCJYPBRYCZAJ-UHFFFAOYSA-N 0 0 189.214 2.580 10 30 AFEERN C=CCOc1cccc(Cl)c1C=O 26516688 166197171 /nfs/dbraw/zinc/19/71/71/166197171.db2.gz CNFIJDGSKKVROQ-UHFFFAOYSA-N 0 0 196.633 2.717 10 30 AFEERN C=CCOc1cccc2cnccc12 39090187 166197221 /nfs/dbraw/zinc/19/72/21/166197221.db2.gz SIWBLMWXAFWKJM-UHFFFAOYSA-N 0 0 185.226 2.800 10 30 AFEERN C=CCOc1ccc(NCC)cc1 39089977 166197238 /nfs/dbraw/zinc/19/72/38/166197238.db2.gz IZENNYDVCSRLBO-UHFFFAOYSA-N 0 0 177.247 2.683 10 30 AFEERN C=CCO[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CC=C[C@@H]21 17160666 166197247 /nfs/dbraw/zinc/19/72/47/166197247.db2.gz CJBBUKCSNYALMD-NZEXEKPDSA-N 0 0 190.286 2.790 10 30 AFEERN C=CCOc1ccc(OCC)cc1 32296725 166197255 /nfs/dbraw/zinc/19/72/55/166197255.db2.gz HZMYTTNTGZEWMG-UHFFFAOYSA-N 0 0 178.231 2.650 10 30 AFEERN C=CCO[C@@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@H]12 105441896 166197263 /nfs/dbraw/zinc/19/72/63/166197263.db2.gz CJBBUKCSNYALMD-KSSYENDESA-N 0 0 190.286 2.790 10 30 AFEERN C=CCOc1ccc(OCC=C)cc1 1621209 166197301 /nfs/dbraw/zinc/19/73/01/166197301.db2.gz AANPQJBOJRZUNO-UHFFFAOYSA-N 0 0 190.242 2.816 10 30 AFEERN C=CCOc1cc(O)ccc1Cl 39401336 166197317 /nfs/dbraw/zinc/19/73/17/166197317.db2.gz ZGCPUSUFPJOUQN-UHFFFAOYSA-N 0 0 184.622 2.610 10 30 AFEERN C=CCOc1c(C)cccc1C 32301998 166197341 /nfs/dbraw/zinc/19/73/41/166197341.db2.gz FUOIKFIGRFIYQW-UHFFFAOYSA-N 0 0 162.232 2.868 10 30 AFEERN C=CCOc1ccc(CC)cc1 32301999 166197357 /nfs/dbraw/zinc/19/73/57/166197357.db2.gz AYSMEWDJQMPGQP-UHFFFAOYSA-N 0 0 162.232 2.814 10 30 AFEERN C=CCOc1cccc2c1NCCC2 38056127 166197376 /nfs/dbraw/zinc/19/73/76/166197376.db2.gz HIDZEOICMIAWPX-UHFFFAOYSA-N 0 0 189.258 2.610 10 30 AFEERN C=CCOc1ccccc1CC 32301989 166197379 /nfs/dbraw/zinc/19/73/79/166197379.db2.gz WGUDVBSBSJKJEP-UHFFFAOYSA-N 0 0 162.232 2.814 10 30 AFEERN C=CCOc1ccc([C@@H](C)O)cc1C 41205937 166197383 /nfs/dbraw/zinc/19/73/83/166197383.db2.gz QJMPGXZAYPLDQW-SNVBAGLBSA-N 0 0 192.258 2.613 10 30 AFEERN C=CCOc1cc(C)ccc1[C@@H](C)O 82502455 166197427 /nfs/dbraw/zinc/19/74/27/166197427.db2.gz KEDCJTISIHGYNC-SNVBAGLBSA-N 0 0 192.258 2.613 10 30 AFEERN C=CCOc1ccc(C)cc1[C@H](C)O 35630265 166197463 /nfs/dbraw/zinc/19/74/63/166197463.db2.gz KAORKZUDMGVDQU-JTQLQIEISA-N 0 0 192.258 2.613 10 30 AFEERN C=CCSCc1ccccc1C#N 58238823 166198192 /nfs/dbraw/zinc/19/81/92/166198192.db2.gz ABHPVYVKAHAGSB-UHFFFAOYSA-N 0 0 189.283 2.977 10 30 AFEERN C=CC[C@@H](C)c1cccnc1 39050483 166198224 /nfs/dbraw/zinc/19/82/24/166198224.db2.gz SPZVXWIFOMDMLA-SECBINFHSA-N 0 0 147.221 2.761 10 30 AFEERN C=CC[C@@H](C)[C@H]1CCCCC1=O 104836539 166198294 /nfs/dbraw/zinc/19/82/94/166198294.db2.gz DRGWHWMMHCDREE-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCSc1ccc(N)cc1 37181253 166198350 /nfs/dbraw/zinc/19/83/50/166198350.db2.gz QZDYMPHFQBHSDK-UHFFFAOYSA-N 0 0 165.261 2.547 10 30 AFEERN C=CCSc1ccc(N)cc1C 37193356 166198379 /nfs/dbraw/zinc/19/83/79/166198379.db2.gz HRSZROZGDHINKZ-UHFFFAOYSA-N 0 0 179.288 2.855 10 30 AFEERN C=CC[C@@H](C#N)c1ccc(OC)cc1 39090291 166198445 /nfs/dbraw/zinc/19/84/45/166198445.db2.gz BAZHMASCXZLODF-NSHDSACASA-N 0 0 187.242 2.878 10 30 AFEERN C=CC[C@@H](C)[C@@H]1CCCCC1=O 104836535 166198565 /nfs/dbraw/zinc/19/85/65/166198565.db2.gz DRGWHWMMHCDREE-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@H](CC)C(=O)CC 59103314 166198601 /nfs/dbraw/zinc/19/86/01/166198601.db2.gz SUOMOGSVQCEXBO-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@@H](C#N)c1ccccc1 39074251 166198611 /nfs/dbraw/zinc/19/86/11/166198611.db2.gz UPGWWAVLPCHBAC-NSHDSACASA-N 0 0 157.216 2.870 10 30 AFEERN C=CC[C@@H](C(=O)OCC)[C@H]1C=CCC1 38636450 166198706 /nfs/dbraw/zinc/19/87/06/166198706.db2.gz LLGQUDIFQHRDGK-WDEREUQCSA-N 0 0 194.274 2.708 10 30 AFEERN C=CCSc1ccc(F)cc1N 37194640 166198732 /nfs/dbraw/zinc/19/87/32/166198732.db2.gz DFFRVPZKVSDSOE-UHFFFAOYSA-N 0 0 183.251 2.686 10 30 AFEERN C=CC[C@@H](C=C)n1nnc2ccccc21 5283152 166198804 /nfs/dbraw/zinc/19/88/04/166198804.db2.gz XBVNYMUZQIQIOQ-SNVBAGLBSA-N 0 0 199.257 2.735 10 30 AFEERN C=CCSc1ccc(C)cc1N 37192715 166198859 /nfs/dbraw/zinc/19/88/59/166198859.db2.gz QOCBRDBEHBGWIZ-UHFFFAOYSA-N 0 0 179.288 2.855 10 30 AFEERN C=CCSc1ccc(N)cc1F 37194003 166198923 /nfs/dbraw/zinc/19/89/23/166198923.db2.gz USUJOLXFKKVFOW-UHFFFAOYSA-N 0 0 183.251 2.686 10 30 AFEERN C=CCSC(C)(C)C 5353855 166198974 /nfs/dbraw/zinc/19/89/74/166198974.db2.gz XIBMCVKDUXKQRS-UHFFFAOYSA-N 0 0 130.256 2.704 10 30 in-vitro AFEERN C=CC[C@@H](C(=O)OCC)[C@@H]1C=CCC1 38636454 166199132 /nfs/dbraw/zinc/19/91/32/166199132.db2.gz LLGQUDIFQHRDGK-GHMZBOCLSA-N 0 0 194.274 2.708 10 30 AFEERN C=CC[C@@H](OC)c1ccccc1 21990166 166199246 /nfs/dbraw/zinc/19/92/46/166199246.db2.gz VGXHVTVOEOZVIY-LLVKDONJSA-N 0 0 162.232 2.950 10 30 AFEERN C=CC[C@@H](O)C1CCC(C)CC1 44983554 166199509 /nfs/dbraw/zinc/19/95/09/166199509.db2.gz NPWWMVWRALZGGJ-VQXHTEKXSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@H]1C(=O)CCC[C@@H]1C 62715707 166199570 /nfs/dbraw/zinc/19/95/70/166199570.db2.gz JNDGVJUNFDJOLD-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1CCCC[C@@H]1C=O 75539670 166199653 /nfs/dbraw/zinc/19/96/53/166199653.db2.gz AYONTZGQIVZZFF-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1CC(=O)C[C@@H](C)C1 104841762 166199742 /nfs/dbraw/zinc/19/97/42/166199742.db2.gz XJMFISMDOJGRCB-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1CCC(=O)C[C@@H]1C 164005533 166200027 /nfs/dbraw/zinc/20/00/27/166200027.db2.gz BANSMENENAKUEJ-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1C(=O)CC[C@@H]1C(C)C 39104123 166200084 /nfs/dbraw/zinc/20/00/84/166200084.db2.gz AIICNFMIFLPZQL-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@@H](O)[C@@H](C)c1ccccc1 32132789 166200088 /nfs/dbraw/zinc/20/00/88/166200088.db2.gz GARLJACXJADDSW-CMPLNLGQSA-N 0 0 176.259 2.727 10 30 AFEERN C=CC[C@@H](O)CCCCCC 38220326 166200121 /nfs/dbraw/zinc/20/01/21/166200121.db2.gz MWQWJUDADIEXCM-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN C=CC[C@@H]1C(=O)CCC[C@H]1C 38324830 166200215 /nfs/dbraw/zinc/20/02/15/166200215.db2.gz JNDGVJUNFDJOLD-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H](O)[C@H](C)c1ccccc1 32132787 166200284 /nfs/dbraw/zinc/20/02/84/166200284.db2.gz GARLJACXJADDSW-ZYHUDNBSSA-N 0 0 176.259 2.727 10 30 AFEERN C=CC[C@@H]1CCCC[C@@H]1C#N 75538513 166200297 /nfs/dbraw/zinc/20/02/97/166200297.db2.gz LUMOQZYMYGBRJW-NXEZZACHSA-N 0 0 149.237 2.892 10 30 AFEERN C=CC[C@@H](O)Cc1ccccc1Cl 44266543 166200362 /nfs/dbraw/zinc/20/03/62/166200362.db2.gz CAJHELRAQSCHQO-SNVBAGLBSA-N 0 0 196.677 2.820 10 30 AFEERN C=CC[C@@H]1C(=O)CC[C@H]1C(C)C 39104122 166200399 /nfs/dbraw/zinc/20/03/99/166200399.db2.gz AIICNFMIFLPZQL-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@@H]1CC(=O)C[C@H](C)C1 104841760 166200439 /nfs/dbraw/zinc/20/04/39/166200439.db2.gz XJMFISMDOJGRCB-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1CCCCC(=O)C1 34518888 166200485 /nfs/dbraw/zinc/20/04/85/166200485.db2.gz PUJNRAQFBBUJEC-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@@H]1CCC(=O)C[C@H]1C 164005414 166200559 /nfs/dbraw/zinc/20/05/59/166200559.db2.gz BANSMENENAKUEJ-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1C[C@H](C)CCC1=O 44468431 166201448 /nfs/dbraw/zinc/20/14/48/166201448.db2.gz MNOZKBDPCBMBKF-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1CCC[C@H]1C#N 75524999 166201453 /nfs/dbraw/zinc/20/14/53/166201453.db2.gz CLTCXABBJRQJOP-BDAKNGLRSA-N 0 0 135.210 2.502 10 30 AFEERN C=CC[C@@H]1C[C@@H](CC)CCC1=O 44468741 166201488 /nfs/dbraw/zinc/20/14/88/166201488.db2.gz JCFQFHZUEQYPBT-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@]1(C)CCCCC1=O 34621724 166201609 /nfs/dbraw/zinc/20/16/09/166201609.db2.gz FGDGJMZVLROUMG-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@@H]1CCc2ccccc2[C@H]1O 44469962 166201781 /nfs/dbraw/zinc/20/17/81/166201781.db2.gz ZHQCJKHAQXLDFY-YPMHNXCESA-N 0 0 188.270 2.859 10 30 AFEERN C=CC[C@@H]1CCCC[C@H]1C=O 75539675 166201804 /nfs/dbraw/zinc/20/18/04/166201804.db2.gz AYONTZGQIVZZFF-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1CCC[C@@H](C)C1=O 104843776 166201877 /nfs/dbraw/zinc/20/18/77/166201877.db2.gz AGKHZTYZZUCRAM-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](C(=O)OCC)[C@H]1C=CCC1 38636448 166201902 /nfs/dbraw/zinc/20/19/02/166201902.db2.gz LLGQUDIFQHRDGK-QWRGUYRKSA-N 0 0 194.274 2.708 10 30 AFEERN C=CC[C@@]1(C)CN1Cc1ccccc1 90735413 166201942 /nfs/dbraw/zinc/20/19/42/166201942.db2.gz SLKPTGLKEKKADA-LSLKUGRBSA-N 0 0 187.286 2.837 10 30 AFEERN C=CC[C@H](C(=O)OCC)[C@@H]1C=CCC1 38636452 166202082 /nfs/dbraw/zinc/20/20/82/166202082.db2.gz LLGQUDIFQHRDGK-MNOVXSKESA-N 0 0 194.274 2.708 10 30 AFEERN C=CC[C@@]1(C)CNc2ccccc21 238451594 166202165 /nfs/dbraw/zinc/20/21/65/166202165.db2.gz NPUJGIXLVPZFMB-LBPRGKRZSA-N 0 0 173.259 2.946 10 30 AFEERN C=CC[C@@](C)(O)Cc1ccccc1 34252888 166202198 /nfs/dbraw/zinc/20/21/98/166202198.db2.gz WMWPOGZEGNDCAQ-GFCCVEGCSA-N 0 0 176.259 2.556 10 30 AFEERN C=CC[C@@H]1C[C@H](CC)CC[C@@H]1O 49852452 166202220 /nfs/dbraw/zinc/20/22/20/166202220.db2.gz JDBLWCISBAPEGU-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@]1(c2ccccc2)O[C@H]1C 59340850 166202223 /nfs/dbraw/zinc/20/22/23/166202223.db2.gz ZTSTWOYWOYDZQC-CMPLNLGQSA-N 0 0 174.243 2.877 10 30 AFEERN C=CC[C@@H]1C[C@H](CC)CCC1=O 44468738 166202264 /nfs/dbraw/zinc/20/22/64/166202264.db2.gz JCFQFHZUEQYPBT-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@H]1C[C@@H](CC)CC[C@H]1O 49852455 166202277 /nfs/dbraw/zinc/20/22/77/166202277.db2.gz JDBLWCISBAPEGU-HBNTYKKESA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@]1(OC)CC=CCC1 39090925 166202281 /nfs/dbraw/zinc/20/22/81/166202281.db2.gz RPYKOEOXNAFAPR-SNVBAGLBSA-N 0 0 152.237 2.688 10 30 AFEERN C=CC[C@@H]1CCC[C@@H]1C#N 75524987 166202297 /nfs/dbraw/zinc/20/22/97/166202297.db2.gz CLTCXABBJRQJOP-RKDXNWHRSA-N 0 0 135.210 2.502 10 30 AFEERN C=CC[C@H](C#N)c1ccccc1 39074252 166202305 /nfs/dbraw/zinc/20/23/05/166202305.db2.gz UPGWWAVLPCHBAC-LLVKDONJSA-N 0 0 157.216 2.870 10 30 AFEERN C=CC[C@@]1(O)CCCC[C@H]1C 33945534 166202310 /nfs/dbraw/zinc/20/23/10/166202310.db2.gz PDPODHYIGRTJQV-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC[C@@H]1C[C@H](CC)CC[C@H]1O 49852454 166202335 /nfs/dbraw/zinc/20/23/35/166202335.db2.gz JDBLWCISBAPEGU-GMTAPVOTSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@H]1Cc2ccccc2C1=O 44467455 166202349 /nfs/dbraw/zinc/20/23/49/166202349.db2.gz DRZGLCFNORYCEG-SNVBAGLBSA-N 0 0 172.227 2.618 10 30 AFEERN C=CC[C@@H]1CCC[C@H](C)C1=O 104843779 166202353 /nfs/dbraw/zinc/20/23/53/166202353.db2.gz AGKHZTYZZUCRAM-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@]1(O)CCCc2ccccc21 34545948 166202359 /nfs/dbraw/zinc/20/23/59/166202359.db2.gz TZJMTDGLLLWJNU-CYBMUJFWSA-N 0 0 188.270 2.787 10 30 AFEERN C=CC[C@@H]1C[C@@H](C)CCC1=O 44468434 166202371 /nfs/dbraw/zinc/20/23/71/166202371.db2.gz MNOZKBDPCBMBKF-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@]1(C)CC[C@@H]1C(C)=O 39069822 166202402 /nfs/dbraw/zinc/20/24/02/166202402.db2.gz OPPKAHVQJYKJAN-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@]1(C)CC[C@H]1C(C)=O 39069821 166202461 /nfs/dbraw/zinc/20/24/61/166202461.db2.gz OPPKAHVQJYKJAN-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1CCc2ccccc2[C@@H]1O 44469956 166202475 /nfs/dbraw/zinc/20/24/75/166202475.db2.gz ZHQCJKHAQXLDFY-DGCLKSJQSA-N 0 0 188.270 2.859 10 30 AFEERN C=CC[C@@](C)(O)c1ccc(F)cc1 34572842 166202485 /nfs/dbraw/zinc/20/24/85/166202485.db2.gz WEXJYBUJKIKOSF-LLVKDONJSA-N 0 0 180.222 2.609 10 30 AFEERN C=CC[C@@H]1CCCC[C@H]1C#N 75538515 166202497 /nfs/dbraw/zinc/20/24/97/166202497.db2.gz LUMOQZYMYGBRJW-ZJUUUORDSA-N 0 0 149.237 2.892 10 30 AFEERN C=CC[C@@](C)(O)c1cccs1 8689871 166202525 /nfs/dbraw/zinc/20/25/25/166202525.db2.gz LNPILKGQQSGEOR-SECBINFHSA-N 0 0 168.261 2.532 10 30 AFEERN C=CC[C@@]1(c2ccccc2)O[C@@H]1C 38995973 166202538 /nfs/dbraw/zinc/20/25/38/166202538.db2.gz ZTSTWOYWOYDZQC-ZYHUDNBSSA-N 0 0 174.243 2.877 10 30 AFEERN C=CC[C@@H]1C[C@@H](CC)CC[C@@H]1O 49852453 166202557 /nfs/dbraw/zinc/20/25/57/166202557.db2.gz JDBLWCISBAPEGU-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@]1(CC)C=CC(=O)CC1 91365967 166202594 /nfs/dbraw/zinc/20/25/94/166202594.db2.gz WLQBXBKGVMGNKX-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C=CC[C@H](C)[C@@H]1CCCCC1=O 104836533 166203182 /nfs/dbraw/zinc/20/31/82/166203182.db2.gz DRGWHWMMHCDREE-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H](O)[C@@H](C)c1ccccc1 32132785 166203234 /nfs/dbraw/zinc/20/32/34/166203234.db2.gz GARLJACXJADDSW-JQWIXIFHSA-N 0 0 176.259 2.727 10 30 AFEERN C=CC[C@H](CC)C(=O)CC 59103313 166203302 /nfs/dbraw/zinc/20/33/02/166203302.db2.gz SUOMOGSVQCEXBO-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@H](O)Cc1cccc(Cl)c1 34455318 166203346 /nfs/dbraw/zinc/20/33/46/166203346.db2.gz UYRHPUDCXPOLSE-NSHDSACASA-N 0 0 196.677 2.820 10 30 AFEERN C=CC[C@H](C)[C@H]1CCCCC1=O 104836536 166203364 /nfs/dbraw/zinc/20/33/64/166203364.db2.gz DRGWHWMMHCDREE-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H](O)Cc1ccccc1Cl 44266538 166203443 /nfs/dbraw/zinc/20/34/43/166203443.db2.gz CAJHELRAQSCHQO-JTQLQIEISA-N 0 0 196.677 2.820 10 30 AFEERN C=CC[C@H](O)CCCCCC 38220327 166203476 /nfs/dbraw/zinc/20/34/76/166203476.db2.gz MWQWJUDADIEXCM-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN C=CC[C@H](O)C1CCC(C)CC1 44983556 166203565 /nfs/dbraw/zinc/20/35/65/166203565.db2.gz NPWWMVWRALZGGJ-ILDUYXDCSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@H](C=C)n1nnc2ccccc21 5283165 166203633 /nfs/dbraw/zinc/20/36/33/166203633.db2.gz XBVNYMUZQIQIOQ-JTQLQIEISA-N 0 0 199.257 2.735 10 30 AFEERN C=CC[C@H](O)[C@H](C)c1ccccc1 32132783 166203655 /nfs/dbraw/zinc/20/36/55/166203655.db2.gz GARLJACXJADDSW-PWSUYJOCSA-N 0 0 176.259 2.727 10 30 AFEERN C=CC[C@H](C)c1cccnc1 39050481 166203890 /nfs/dbraw/zinc/20/38/90/166203890.db2.gz SPZVXWIFOMDMLA-VIFPVBQESA-N 0 0 147.221 2.761 10 30 AFEERN C=CC[C@](C)(O)Cc1ccccc1 34252889 166204695 /nfs/dbraw/zinc/20/46/95/166204695.db2.gz WMWPOGZEGNDCAQ-LBPRGKRZSA-N 0 0 176.259 2.556 10 30 AFEERN C=CC[C@H]1CCCC[C@@H]1C=O 75539674 166204714 /nfs/dbraw/zinc/20/47/14/166204714.db2.gz AYONTZGQIVZZFF-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CCC(=O)C[C@H]1C 164005206 166204729 /nfs/dbraw/zinc/20/47/29/166204729.db2.gz BANSMENENAKUEJ-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@](C)(O)c1ccc(F)cc1 34572844 166204741 /nfs/dbraw/zinc/20/47/41/166204741.db2.gz WEXJYBUJKIKOSF-NSHDSACASA-N 0 0 180.222 2.609 10 30 AFEERN C=CC[C@H]1CCCC[C@@H]1C#N 75538514 166204742 /nfs/dbraw/zinc/20/47/42/166204742.db2.gz LUMOQZYMYGBRJW-VHSXEESVSA-N 0 0 149.237 2.892 10 30 AFEERN C=CC[C@]1(O)CCCc2ccccc21 34596887 166204773 /nfs/dbraw/zinc/20/47/73/166204773.db2.gz TZJMTDGLLLWJNU-ZDUSSCGKSA-N 0 0 188.270 2.787 10 30 AFEERN C=CC[C@H]1CC(=O)C[C@@H](C)C1 104841769 166204777 /nfs/dbraw/zinc/20/47/77/166204777.db2.gz XJMFISMDOJGRCB-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CCC[C@@H]1C#N 75524994 166204802 /nfs/dbraw/zinc/20/48/02/166204802.db2.gz CLTCXABBJRQJOP-DTWKUNHWSA-N 0 0 135.210 2.502 10 30 AFEERN C=CC[C@]1(O)CCCC[C@H]1C 33945536 166204862 /nfs/dbraw/zinc/20/48/62/166204862.db2.gz PDPODHYIGRTJQV-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC[C@H]1CCCCC(=O)C1 34518889 166204879 /nfs/dbraw/zinc/20/48/79/166204879.db2.gz PUJNRAQFBBUJEC-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@](C)(O)c1cccs1 8689872 166204882 /nfs/dbraw/zinc/20/48/82/166204882.db2.gz LNPILKGQQSGEOR-VIFPVBQESA-N 0 0 168.261 2.532 10 30 AFEERN C=CC[C@]1(CC)C=CC(=O)CC1 91365966 166204900 /nfs/dbraw/zinc/20/49/00/166204900.db2.gz WLQBXBKGVMGNKX-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN C=CC[C@H]1C(=O)CC[C@H]1C(C)C 39104120 166204951 /nfs/dbraw/zinc/20/49/51/166204951.db2.gz AIICNFMIFLPZQL-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@](C)(O)CCCCC 38973054 166204984 /nfs/dbraw/zinc/20/49/84/166204984.db2.gz OQNKQWNDMBCKNI-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN C=CC[C@H]1C(=O)CC[C@@H]1C(C)C 39104121 166205219 /nfs/dbraw/zinc/20/52/19/166205219.db2.gz AIICNFMIFLPZQL-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@]1(C)CC[C@H]1C(C)=O 39069819 166205242 /nfs/dbraw/zinc/20/52/42/166205242.db2.gz OPPKAHVQJYKJAN-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CC(=O)C[C@H](C)C1 104841766 166205272 /nfs/dbraw/zinc/20/52/72/166205272.db2.gz XJMFISMDOJGRCB-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1C(=O)CCC[C@@H]1C 62715705 166205280 /nfs/dbraw/zinc/20/52/80/166205280.db2.gz JNDGVJUNFDJOLD-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CCCC[C@H]1C=O 75539679 166205282 /nfs/dbraw/zinc/20/52/82/166205282.db2.gz AYONTZGQIVZZFF-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@]1(C)CNc2ccccc21 238485121 166205320 /nfs/dbraw/zinc/20/53/20/166205320.db2.gz NPUJGIXLVPZFMB-GFCCVEGCSA-N 0 0 173.259 2.946 10 30 AFEERN C=CC[C@H]1C(=O)CCC[C@H]1C 62715704 166205359 /nfs/dbraw/zinc/20/53/59/166205359.db2.gz JNDGVJUNFDJOLD-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CCC[C@H](C)C1=O 104843772 166205375 /nfs/dbraw/zinc/20/53/75/166205375.db2.gz AGKHZTYZZUCRAM-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CCC[C@@H](C)C1=O 104843769 166205395 /nfs/dbraw/zinc/20/53/95/166205395.db2.gz AGKHZTYZZUCRAM-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](OC)c1ccccc1 21990163 166205453 /nfs/dbraw/zinc/20/54/53/166205453.db2.gz VGXHVTVOEOZVIY-NSHDSACASA-N 0 0 162.232 2.950 10 30 AFEERN C=CC[C@H]1Cc2ccccc2C1=O 44467458 166205517 /nfs/dbraw/zinc/20/55/17/166205517.db2.gz DRZGLCFNORYCEG-JTQLQIEISA-N 0 0 172.227 2.618 10 30 AFEERN C=CC[C@]1(C)CCCCC1=O 34621725 166205573 /nfs/dbraw/zinc/20/55/73/166205573.db2.gz FGDGJMZVLROUMG-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@H]1C[C@@H](CC)CCC1=O 44468747 166205597 /nfs/dbraw/zinc/20/55/97/166205597.db2.gz JCFQFHZUEQYPBT-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H]1C[C@H](CC)CCC1=O 44468744 166205710 /nfs/dbraw/zinc/20/57/10/166205710.db2.gz JCFQFHZUEQYPBT-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H]1C[C@H](C)CCC1=O 44468437 166205862 /nfs/dbraw/zinc/20/58/62/166205862.db2.gz MNOZKBDPCBMBKF-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CCc2ccccc2[C@H]1O 44469966 166205991 /nfs/dbraw/zinc/20/59/91/166205991.db2.gz ZHQCJKHAQXLDFY-AAEUAGOBSA-N 0 0 188.270 2.859 10 30 AFEERN C=CC[C@H]1CCC(=O)C[C@@H]1C 164005303 166206011 /nfs/dbraw/zinc/20/60/11/166206011.db2.gz BANSMENENAKUEJ-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@]1(O)CCCC[C@@H]1C 33945537 166206042 /nfs/dbraw/zinc/20/60/42/166206042.db2.gz PDPODHYIGRTJQV-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC[C@H]1C[C@@H](C)CCC1=O 44468440 166206052 /nfs/dbraw/zinc/20/60/52/166206052.db2.gz MNOZKBDPCBMBKF-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CCC[C@H]1C#N 75525004 166206063 /nfs/dbraw/zinc/20/60/63/166206063.db2.gz CLTCXABBJRQJOP-IUCAKERBSA-N 0 0 135.210 2.502 10 30 AFEERN C=CC[C@H]1CCCC[C@H]1C#N 75538516 166206085 /nfs/dbraw/zinc/20/60/85/166206085.db2.gz LUMOQZYMYGBRJW-UWVGGRQHSA-N 0 0 149.237 2.892 10 30 AFEERN C=CC[C@H]1CCc2ccccc2[C@@H]1O 44469959 166206086 /nfs/dbraw/zinc/20/60/86/166206086.db2.gz ZHQCJKHAQXLDFY-WCQYABFASA-N 0 0 188.270 2.859 10 30 AFEERN C=CC[C@](O)(CC)c1ccccc1 34998481 166206094 /nfs/dbraw/zinc/20/60/94/166206094.db2.gz KCUCWBRWJXLGPV-GFCCVEGCSA-N 0 0 176.259 2.860 10 30 AFEERN C=CCc1cc(OCCC)ccc1O 52064437 166206241 /nfs/dbraw/zinc/20/62/41/166206241.db2.gz HKIAIZBPOOOOQT-UHFFFAOYSA-N 0 0 192.258 2.910 10 30 AFEERN C=CCc1c(OC)ccc2[nH]ccc12 89204464 166206263 /nfs/dbraw/zinc/20/62/63/166206263.db2.gz IYIRLWDOHHVYDS-UHFFFAOYSA-N 0 0 187.242 2.905 10 30 AFEERN C=CCc1c(O)ccc2cc[nH]c12 89209116 166206276 /nfs/dbraw/zinc/20/62/76/166206276.db2.gz FGWPXLFWAGATEU-UHFFFAOYSA-N 0 0 173.215 2.602 10 30 AFEERN C=CCc1cc2ccccc2[nH]1 34075604 166206424 /nfs/dbraw/zinc/20/64/24/166206424.db2.gz ANLKJTVUTKDNOV-UHFFFAOYSA-N 0 0 157.216 2.896 10 30 AFEERN C=CCc1cc(C)cc(C)c1O 33464683 166206484 /nfs/dbraw/zinc/20/64/84/166206484.db2.gz SFHNWLBQKZCHFT-UHFFFAOYSA-N 0 0 162.232 2.738 10 30 AFEERN C=CCc1cc(C)c(O)c(C)c1 37629102 166206545 /nfs/dbraw/zinc/20/65/45/166206545.db2.gz JSETXDOJYIQIST-UHFFFAOYSA-N 0 0 162.232 2.738 10 30 AFEERN C=CCc1ccc(C)c(O)c1C 62715994 166206559 /nfs/dbraw/zinc/20/65/59/166206559.db2.gz KJYAWVFBQCLULV-UHFFFAOYSA-N 0 0 162.232 2.738 10 30 AFEERN C=CCc1c(C(=O)CC)ccnc1F 2524932 166206827 /nfs/dbraw/zinc/20/68/27/166206827.db2.gz FZHGHKQBAKWOHM-UHFFFAOYSA-N 0 0 193.221 2.542 10 30 AFEERN C=CC[P@H](=O)OCc1ccccc1 21993415 166206914 /nfs/dbraw/zinc/20/69/14/166206914.db2.gz ZZRZXVKIUUVURY-UHFFFAOYSA-N 0 0 196.186 2.864 10 30 AFEERN C=CCc1cc(CC)ccc1O 33464681 166206952 /nfs/dbraw/zinc/20/69/52/166206952.db2.gz UUZKCICQRDGSJI-UHFFFAOYSA-N 0 0 162.232 2.683 10 30 AFEERN C=CCc1cc(C)cc(C)c1[N+](=O)[O-] 21990668 166206967 /nfs/dbraw/zinc/20/69/67/166206967.db2.gz XUKPVRNZDAKTBR-UHFFFAOYSA-N 0 0 191.230 2.940 10 30 AFEERN C=CCc1cc2ccccc2n1C 38583172 166206991 /nfs/dbraw/zinc/20/69/91/166206991.db2.gz RZEUWURTBVGHFT-UHFFFAOYSA-N 0 0 171.243 2.907 10 30 AFEERN C=CCc1cc(OC)ccc1OCC 103287542 166207070 /nfs/dbraw/zinc/20/70/70/166207070.db2.gz OCNJJFYYINZWNX-UHFFFAOYSA-N 0 0 192.258 2.822 10 30 AFEERN C=CC[C@]1(c2ccccc2)O[C@H]1C 59340847 166207072 /nfs/dbraw/zinc/20/70/72/166207072.db2.gz ZTSTWOYWOYDZQC-JQWIXIFHSA-N 0 0 174.243 2.877 10 30 AFEERN C=CCc1ccc(O)c(CC=C)c1O 39351260 166207098 /nfs/dbraw/zinc/20/70/98/166207098.db2.gz PJWWMILZGYFURN-UHFFFAOYSA-N 0 0 190.242 2.555 10 30 AFEERN C=CCc1cc(F)cc(Cl)c1O 52064466 166207103 /nfs/dbraw/zinc/20/71/03/166207103.db2.gz RBKRTCXWKJWEHX-UHFFFAOYSA-N 0 0 186.613 2.913 10 30 AFEERN C=CCc1ccc(C#N)c(C)c1 116975751 166207125 /nfs/dbraw/zinc/20/71/25/166207125.db2.gz ADHAQBKSZOBIPK-UHFFFAOYSA-N 0 0 157.216 2.595 10 30 AFEERN C=CCc1ccc(C#N)c(Cl)c1 168505364 166207126 /nfs/dbraw/zinc/20/71/26/166207126.db2.gz OQPGJAVXCKJCJY-UHFFFAOYSA-N 0 0 177.634 2.940 10 30 AFEERN C=CCc1cc(C)cc(C(C)=O)c1O 24863261 166207137 /nfs/dbraw/zinc/20/71/37/166207137.db2.gz WBCQSDDQBITQSY-UHFFFAOYSA-N 0 0 190.242 2.632 10 30 AFEERN C=CCc1ccc(O)c(OCC)c1 32220921 166207169 /nfs/dbraw/zinc/20/71/69/166207169.db2.gz LEXYYUGWWDAGQB-UHFFFAOYSA-N 0 0 178.231 2.519 10 30 AFEERN C=CCc1cc(C)c(C)o1 104835748 166207175 /nfs/dbraw/zinc/20/71/75/166207175.db2.gz AJEPJONWRCDMIW-UHFFFAOYSA-N 0 0 136.194 2.625 10 30 AFEERN C=CCc1c(C)cc(C)cc1O 1575631 166207187 /nfs/dbraw/zinc/20/71/87/166207187.db2.gz VJBNTMUSFMRWSH-UHFFFAOYSA-N 0 0 162.232 2.738 10 30 AFEERN C=CC[C@]1(c2ccccc2)O[C@@H]1C 59340845 166207298 /nfs/dbraw/zinc/20/72/98/166207298.db2.gz ZTSTWOYWOYDZQC-PWSUYJOCSA-N 0 0 174.243 2.877 10 30 AFEERN C=CCc1nc(C(C)C)oc1C 39103983 166208096 /nfs/dbraw/zinc/20/80/96/166208096.db2.gz IIQXSLIJIZOYIU-UHFFFAOYSA-N 0 0 165.236 2.835 10 30 AFEERN C=CCc1nc2ccccc2nc1C 39115066 166208141 /nfs/dbraw/zinc/20/81/41/166208141.db2.gz UWKRGMFKUUIOJR-UHFFFAOYSA-N 0 0 184.242 2.667 10 30 AFEERN C=CCc1ccc2c(c1)[C@H](C)OC2=O 168523488 166208182 /nfs/dbraw/zinc/20/81/82/166208182.db2.gz FXKAWAQAVSFISR-QMMMGPOBSA-N 0 0 188.226 2.647 10 30 AFEERN C=CCc1cccc(C(=O)CC)c1O 34111425 166208184 /nfs/dbraw/zinc/20/81/84/166208184.db2.gz CILNDTIZKQCRPI-UHFFFAOYSA-N 0 0 190.242 2.713 10 30 AFEERN C=CCc1ccccc1OC(=O)C=C 1656241 166208210 /nfs/dbraw/zinc/20/82/10/166208210.db2.gz MVHITVMIKXLDKZ-UHFFFAOYSA-N 0 0 188.226 2.507 10 30 AFEERN C=CCc1cncc(Br)c1 137666948 166208230 /nfs/dbraw/zinc/20/82/30/166208230.db2.gz LNIRDVCXPRIWDD-UHFFFAOYSA-N 0 0 198.063 2.573 10 30 AFEERN C=CCc1ccccc1C(C)=O 36404199 166208231 /nfs/dbraw/zinc/20/82/31/166208231.db2.gz ZJYHGYBYEYRQGU-UHFFFAOYSA-N 0 0 160.216 2.618 10 30 AFEERN C=CCc1cccc(OCCC)c1O 52064432 166208276 /nfs/dbraw/zinc/20/82/76/166208276.db2.gz CRZKZBLQHQIXFL-UHFFFAOYSA-N 0 0 192.258 2.910 10 30 AFEERN C=CCc1cccc(OCC)c1O 33464688 166208291 /nfs/dbraw/zinc/20/82/91/166208291.db2.gz OAAQJIVRKPUMJP-UHFFFAOYSA-N 0 0 178.231 2.519 10 30 AFEERN C=CCc1ccc2c(c1)[C@@H](C)OC2=O 168523589 166208293 /nfs/dbraw/zinc/20/82/93/166208293.db2.gz FXKAWAQAVSFISR-MRVPVSSYSA-N 0 0 188.226 2.647 10 30 AFEERN C=CCc1nc2cc(Cl)ccc2[nH]1 95923359 166208337 /nfs/dbraw/zinc/20/83/37/166208337.db2.gz ZRCBMJMQRFPGQT-UHFFFAOYSA-N 0 0 192.649 2.945 10 30 AFEERN C=CCc1cccc2ccc(=O)oc12 2487557 166208379 /nfs/dbraw/zinc/20/83/79/166208379.db2.gz IISICPFFRHSFAU-UHFFFAOYSA-N 0 0 186.210 2.522 10 30 biogenic AFEERN C=CCc1cccc(C)c1C=O 39060557 166208398 /nfs/dbraw/zinc/20/83/98/166208398.db2.gz XNWGAMJBUFPQED-UHFFFAOYSA-N 0 0 160.216 2.536 10 30 AFEERN C=CCn1c(C=O)c(C)c2ccccc21 196336522 166208402 /nfs/dbraw/zinc/20/84/02/166208402.db2.gz UDZUMZLCDICZSW-UHFFFAOYSA-N 0 0 199.253 2.948 10 30 AFEERN C=CCc1cnc(C(C)C)o1 39103059 166208476 /nfs/dbraw/zinc/20/84/76/166208476.db2.gz XYAPBMCQYMGHJW-UHFFFAOYSA-N 0 0 151.209 2.527 10 30 AFEERN C=CCc1nc2ccccc2o1 34109376 166208584 /nfs/dbraw/zinc/20/85/84/166208584.db2.gz OAXQSDCGLIFECT-UHFFFAOYSA-N 0 0 159.188 2.556 10 30 AFEERN C=CCc1cnc2ccccc2c1 34160809 166208612 /nfs/dbraw/zinc/20/86/12/166208612.db2.gz BSHYDOZSHUDNCZ-UHFFFAOYSA-N 0 0 169.227 2.963 10 30 AFEERN C=CCn1c(C=O)cc2ccccc21 75576896 166208614 /nfs/dbraw/zinc/20/86/14/166208614.db2.gz HEVKPTDQDYIIMQ-UHFFFAOYSA-N 0 0 185.226 2.640 10 30 AFEERN C=CCc1ccc2ccc(C)nc2c1O 8036195 166208619 /nfs/dbraw/zinc/20/86/19/166208619.db2.gz YCUCRHDFQSVRLD-UHFFFAOYSA-N 0 0 199.253 2.977 10 30 AFEERN C=CCn1cc(C(C)(C)C)nc1C 104834865 166208790 /nfs/dbraw/zinc/20/87/90/166208790.db2.gz RSPKCYUAOJYGAO-UHFFFAOYSA-N 0 0 178.279 2.675 10 30 AFEERN C=CCc1cccc(CC)c1O 33464679 166208796 /nfs/dbraw/zinc/20/87/96/166208796.db2.gz BCTCEHQBBUZUNZ-UHFFFAOYSA-N 0 0 162.232 2.683 10 30 AFEERN C=CCn1c(C)cc2c1CCCC2=O 44315560 166208833 /nfs/dbraw/zinc/20/88/33/166208833.db2.gz YUKHGXWJCZHDLW-UHFFFAOYSA-N 0 0 189.258 2.502 10 30 AFEERN C=CCn1cccc1C(=C)C 39079768 166209890 /nfs/dbraw/zinc/20/98/90/166209890.db2.gz FMPCTGQOROROGH-UHFFFAOYSA-N 0 0 147.221 2.707 10 30 AFEERN C=CCn1ccnc1-c1ccccc1 39192810 166210897 /nfs/dbraw/zinc/21/08/97/166210897.db2.gz HALHUSQDSVRAEW-UHFFFAOYSA-N 0 0 184.242 2.736 10 30 AFEERN C=C[C@@H](C)CCCC(C)(C)OC=O 6020548 166212604 /nfs/dbraw/zinc/21/26/04/166212604.db2.gz ONXALCWZXZZQSG-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](CC)n1nnc2ccccc21 5476803 166212626 /nfs/dbraw/zinc/21/26/26/166212626.db2.gz OACCDWHPNWWWHK-VIFPVBQESA-N 0 0 187.246 2.568 10 30 AFEERN C=C[C@@H](C)C[C@H](O)CC(C)C 33637443 166212673 /nfs/dbraw/zinc/21/26/73/166212673.db2.gz GXRZVRGDJQMNEL-NXEZZACHSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@@H](C)C[C@@H](O)C(C)(C)C 52144586 166212763 /nfs/dbraw/zinc/21/27/63/166212763.db2.gz INNWJJPHJXWDRW-RKDXNWHRSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@@H](C)[C@H]1Cc2ccccc2[C@@H]1O 52144650 166212787 /nfs/dbraw/zinc/21/27/87/166212787.db2.gz HWDUHXFHJYAKET-WQAKAFBOSA-N 0 0 188.270 2.714 10 30 AFEERN C=C[C@@H](CC=O)c1ccccc1 1850913 166212794 /nfs/dbraw/zinc/21/27/94/166212794.db2.gz XQTAGXUFCZLHIQ-JTQLQIEISA-N 0 0 160.216 2.545 10 30 endogenous,in-man AFEERN C=C[C@@H](C)[C@H]1CNc2ccccc2N1 39115331 166212795 /nfs/dbraw/zinc/21/27/95/166212795.db2.gz AKXJTFPPYKSUNO-BXKDBHETSA-N 0 0 188.274 2.715 10 30 AFEERN C=C[C@@H](C)C[C@H](O)c1ccccc1 52144542 166212805 /nfs/dbraw/zinc/21/28/05/166212805.db2.gz YQRKAVFVBOTCDU-PWSUYJOCSA-N 0 0 176.259 2.932 10 30 AFEERN C=C[C@@H](C)c1cccc(C(=O)OC)c1 114529487 166212839 /nfs/dbraw/zinc/21/28/39/166212839.db2.gz FZJDYIQRYCTHDW-SECBINFHSA-N 0 0 190.242 2.763 10 30 AFEERN C=C[C@@H](C)Oc1ccccc1 80116532 166212908 /nfs/dbraw/zinc/21/29/08/166212908.db2.gz DTMRXFIDQOGVJS-SECBINFHSA-N 0 0 148.205 2.640 10 30 AFEERN C=C[C@@H](C)[C@@H](O)c1ccccc1 5370724 166212916 /nfs/dbraw/zinc/21/29/16/166212916.db2.gz DLSYQCLRLSWCDC-MWLCHTKSSA-N 0 0 162.232 2.542 10 30 AFEERN C=C[C@@H](C)C1(O)CCCCC1 5370713 166212919 /nfs/dbraw/zinc/21/29/19/166212919.db2.gz VIUDIHSMXOBGFG-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@@H](C)Nc1ccccc1 34478678 166212922 /nfs/dbraw/zinc/21/29/22/166212922.db2.gz DYHSFVIHXKGVNV-SECBINFHSA-N 0 0 147.221 2.673 10 30 AFEERN C=C[C@@H](C)c1cccc(OC)c1O 75568523 166212978 /nfs/dbraw/zinc/21/29/78/166212978.db2.gz FOJZURVNLWVADF-MRVPVSSYSA-N 0 0 178.231 2.690 10 30 AFEERN C=C[C@@H](C)[C@@H]1CCCCC1=O 39090905 166212987 /nfs/dbraw/zinc/21/29/87/166212987.db2.gz LDXRWNQVMIYPLJ-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H](CC)c1ccncc1 39054499 166213031 /nfs/dbraw/zinc/21/30/31/166213031.db2.gz KSHXKHLVWCSOJZ-VIFPVBQESA-N 0 0 147.221 2.761 10 30 AFEERN C=C[C@@H](C)Sc1ccccc1N 52142484 166213055 /nfs/dbraw/zinc/21/30/55/166213055.db2.gz ONMYZFHLWCOTQW-MRVPVSSYSA-N 0 0 179.288 2.935 10 30 AFEERN C=C[C@@H](C)c1cccc2c1NCC2 34728455 166213068 /nfs/dbraw/zinc/21/30/68/166213068.db2.gz MSZYPXYVVPEIFU-SECBINFHSA-N 0 0 173.259 2.944 10 30 AFEERN C=C[C@@H](C)C/C=C\C(C)(C)O 83263370 166213071 /nfs/dbraw/zinc/21/30/71/166213071.db2.gz UPUNGXVJBANUDH-JGAIRUGNSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@@H](C)[C@H]1CCCCC[C@@H]1O 52144641 166213075 /nfs/dbraw/zinc/21/30/75/166213075.db2.gz DCDIVQZBCBENBO-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@H](C)CCCC(C)=O 39069052 166213078 /nfs/dbraw/zinc/21/30/78/166213078.db2.gz AQWAXHULODKDEJ-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@@H](C)[C@H]1CCCCC1=O 39090908 166213079 /nfs/dbraw/zinc/21/30/79/166213079.db2.gz LDXRWNQVMIYPLJ-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H](C)c1ccccc1O 34478693 166213095 /nfs/dbraw/zinc/21/30/95/166213095.db2.gz KXVJXEPOPKSHOJ-MRVPVSSYSA-N 0 0 148.205 2.682 10 30 AFEERN C=C[C@@H](C)Oc1ccccc1C#N 39089857 166213127 /nfs/dbraw/zinc/21/31/27/166213127.db2.gz XDDVLLFHAMKNCO-SECBINFHSA-N 0 0 173.215 2.512 10 30 AFEERN C=C[C@@H](C)C[C@@H](O)c1ccccc1 52144548 166213128 /nfs/dbraw/zinc/21/31/28/166213128.db2.gz YQRKAVFVBOTCDU-ZYHUDNBSSA-N 0 0 176.259 2.932 10 30 AFEERN C=C[C@@H](C)C[C@H](C)C(=O)CC 5818655 166213136 /nfs/dbraw/zinc/21/31/36/166213136.db2.gz BOBHRIZDBFPAKV-BDAKNGLRSA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@@H](CC)CCC 77989663 166213147 /nfs/dbraw/zinc/21/31/47/166213147.db2.gz OLGHJTHQWQKJQQ-QMMMGPOBSA-N 0 0 112.216 2.999 10 30 AFEERN C=C[C@@H](C)Oc1ccc(NC)cc1 52144510 166213151 /nfs/dbraw/zinc/21/31/51/166213151.db2.gz QAZVTWPAEAHGHE-SECBINFHSA-N 0 0 177.247 2.682 10 30 AFEERN C=C[C@@H](C)CC(=O)OC(C)(C)C 222915369 166213177 /nfs/dbraw/zinc/21/31/77/166213177.db2.gz HURUVDUYJWQAJE-MRVPVSSYSA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@@H](CCC)NC(=O)OC(C)(C)C 34534819 166213194 /nfs/dbraw/zinc/21/31/94/166213194.db2.gz FTTANWBTDLVFOG-VIFPVBQESA-N 0 0 199.294 2.866 10 30 AFEERN C=C[C@@H](C)[C@@H]1CCCCC[C@@H]1O 52144635 166213197 /nfs/dbraw/zinc/21/31/97/166213197.db2.gz DCDIVQZBCBENBO-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@H](C)[C@](C)(O)c1ccccc1 5528839 166213229 /nfs/dbraw/zinc/21/32/29/166213229.db2.gz KHBRETDHGDYROL-PWSUYJOCSA-N 0 0 176.259 2.716 10 30 AFEERN C=C[C@@H](C)c1ccc(O)cc1 6036069 166213231 /nfs/dbraw/zinc/21/32/31/166213231.db2.gz HLGJKPJMZKHFDC-MRVPVSSYSA-N 0 0 148.205 2.682 10 30 AFEERN C=C[C@@H](CC(C)=O)c1ccccc1 1600452 166213234 /nfs/dbraw/zinc/21/32/34/166213234.db2.gz FVXSOKFSQCKZDF-NSHDSACASA-N 0 0 174.243 2.935 10 30 AFEERN C=C[C@@H](C)C[C@@H](O)CC(C)C 33637442 166213236 /nfs/dbraw/zinc/21/32/36/166213236.db2.gz GXRZVRGDJQMNEL-ZJUUUORDSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@@H](C)C[C@@H](C)C(=O)CC 5818704 166213246 /nfs/dbraw/zinc/21/32/46/166213246.db2.gz BOBHRIZDBFPAKV-RKDXNWHRSA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@@H](C)Sc1ccc(N)cc1 52142508 166213258 /nfs/dbraw/zinc/21/32/58/166213258.db2.gz QZWPSSPIXVFKLX-MRVPVSSYSA-N 0 0 179.288 2.935 10 30 AFEERN C=C[C@@H](C)c1cc(C)ccn1 39051844 166213259 /nfs/dbraw/zinc/21/32/59/166213259.db2.gz ZYFVPQVOKNXVGN-SECBINFHSA-N 0 0 147.221 2.680 10 30 AFEERN C=C[C@@H](C)C[C@H](O)C(C)(C)C 52144582 166213267 /nfs/dbraw/zinc/21/32/67/166213267.db2.gz INNWJJPHJXWDRW-BDAKNGLRSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@@H](C)[C@@H]1Cc2ccccc2[C@@H]1O 52144645 166213279 /nfs/dbraw/zinc/21/32/79/166213279.db2.gz HWDUHXFHJYAKET-ICCXJUOJSA-N 0 0 188.270 2.714 10 30 AFEERN C=C[C@@H](C)[C@@H]1CNc2ccccc2N1 39115329 166213289 /nfs/dbraw/zinc/21/32/89/166213289.db2.gz AKXJTFPPYKSUNO-SKDRFNHKSA-N 0 0 188.274 2.715 10 30 AFEERN C=C[C@@H](C)[C@H]1CCCCCC1=O 52143400 166213292 /nfs/dbraw/zinc/21/32/92/166213292.db2.gz KVZGYNZJZMPPKC-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H]1CCCC[C@H]1C(C)=O 39069887 166214260 /nfs/dbraw/zinc/21/42/60/166214260.db2.gz HPBAEOFKEKXJNX-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H]1CC(=O)CC[C@H]1C(C)C 34204634 166214916 /nfs/dbraw/zinc/21/49/16/166214916.db2.gz QXNSYXCBSUUXGY-KOLCDFICSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@@H]1COC/C1=C/c1ccccc1 90735183 166215014 /nfs/dbraw/zinc/21/50/14/166215014.db2.gz OAYNRSVIVNXAMS-YFBAIUBQSA-N 0 0 186.254 2.902 10 30 AFEERN C=C[C@@H]1CCCC[C@@]1(C)C=O 75539767 166215029 /nfs/dbraw/zinc/21/50/29/166215029.db2.gz NRHXXZDYALZOBH-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H]1CCC2=CC(=O)CC[C@]21C 62718828 166215089 /nfs/dbraw/zinc/21/50/89/166215089.db2.gz AFZHZTNEEFORRM-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@H]1CC(=O)c2ccccc2S1 40828617 166215144 /nfs/dbraw/zinc/21/51/44/166215144.db2.gz UJUZIYCNGKUFPR-MRVPVSSYSA-N 0 0 190.267 2.920 10 30 AFEERN C=C[C@@H]1CCO[C@H](c2ccccc2)O1 39120314 166215155 /nfs/dbraw/zinc/21/51/55/166215155.db2.gz JURRHCSQAJTABR-NEPJUHHUSA-N 0 0 190.242 2.677 10 30 AFEERN C=C[C@@H](O)c1nc2ccccc2s1 45236585 166215165 /nfs/dbraw/zinc/21/51/65/166215165.db2.gz INZBFOAXCOWCQO-MRVPVSSYSA-N 0 0 191.255 2.516 10 30 AFEERN C=C[C@@H]1CNc2ccc(C)cc21 238498645 166215227 /nfs/dbraw/zinc/21/52/27/166215227.db2.gz UNFHVMQMIRWMQR-SECBINFHSA-N 0 0 159.232 2.690 10 30 AFEERN C=C[C@@H]1CCCC[C@]1(C)C=O 75539763 166215266 /nfs/dbraw/zinc/21/52/66/166215266.db2.gz NRHXXZDYALZOBH-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H]1CCCC[C@@]1(C=O)CC 75554863 166215269 /nfs/dbraw/zinc/21/52/69/166215269.db2.gz IOVMKGCKYZXOSK-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H]1CNc2cc(C)c(C)cc2N1 95922452 166215282 /nfs/dbraw/zinc/21/52/82/166215282.db2.gz XXRDZMQWDWXRPC-SNVBAGLBSA-N 0 0 188.274 2.695 10 30 AFEERN C=C[C@@H]1CCC2=CC(=O)CC[C@@]21C 62718831 166215283 /nfs/dbraw/zinc/21/52/83/166215283.db2.gz AFZHZTNEEFORRM-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@H]1CCCC[C@@H]1C(C)=O 39069888 166215321 /nfs/dbraw/zinc/21/53/21/166215321.db2.gz HPBAEOFKEKXJNX-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H]1CC[C@@H](C=C)C1 108530071 166215324 /nfs/dbraw/zinc/21/53/24/166215324.db2.gz HLGOWXWFQWQIBW-RKDXNWHRSA-N 0 0 122.211 2.775 10 30 AFEERN C=C[C@@H](O)c1ccccc1Cl 34372293 166215339 /nfs/dbraw/zinc/21/53/39/166215339.db2.gz MDWQDIDCACELQO-SECBINFHSA-N 0 0 168.623 2.559 10 30 AFEERN C=C[C@@H](O)CC1CCCCC1 34259734 166215406 /nfs/dbraw/zinc/21/54/06/166215406.db2.gz XYPCFYDZWKTHRT-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@@H](O)C12CC3CC(CC(C3)C1)C2 38312701 166215407 /nfs/dbraw/zinc/21/54/07/166215407.db2.gz RWNMNWYVZCECON-CRIDGIJHSA-N 0 0 192.302 2.750 10 30 AFEERN C=C[C@@H]1CCCC[C@]1(C=O)CC 75554866 166215412 /nfs/dbraw/zinc/21/54/12/166215412.db2.gz IOVMKGCKYZXOSK-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H]1CCO[C@@H](c2ccccc2)O1 39120318 166215420 /nfs/dbraw/zinc/21/54/20/166215420.db2.gz JURRHCSQAJTABR-VXGBXAGGSA-N 0 0 190.242 2.677 10 30 AFEERN C=C[C@H](C)C(C)(C)C 2169061 166216642 /nfs/dbraw/zinc/21/66/42/166216642.db2.gz BOPVNOMJIDZBQB-ZETCQYMHSA-N 0 0 112.216 2.855 10 30 AFEERN C=C[C@H](C)C1(O)CCCCC1 5368198 166216703 /nfs/dbraw/zinc/21/67/03/166216703.db2.gz VIUDIHSMXOBGFG-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@H](C)C/C=C\C(C)(C)O 83263375 166216707 /nfs/dbraw/zinc/21/67/07/166216707.db2.gz UPUNGXVJBANUDH-XZLDQRQTSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@H](C)Sc1ccc(N)cc1 52142507 166216735 /nfs/dbraw/zinc/21/67/35/166216735.db2.gz QZWPSSPIXVFKLX-QMMMGPOBSA-N 0 0 179.288 2.935 10 30 AFEERN C=C[C@H](C)C[C@@H](O)CC(C)C 33637438 166216807 /nfs/dbraw/zinc/21/68/07/166216807.db2.gz GXRZVRGDJQMNEL-UWVGGRQHSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@H](C)CCCC(C)(C)OC=O 6036343 166216826 /nfs/dbraw/zinc/21/68/26/166216826.db2.gz ONXALCWZXZZQSG-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](C)C[C@@H](O)c1ccccc1 52144551 166217228 /nfs/dbraw/zinc/21/72/28/166217228.db2.gz YQRKAVFVBOTCDU-CMPLNLGQSA-N 0 0 176.259 2.932 10 30 AFEERN C=C[C@H](C)C[C@H](O)CC(C)C 33637440 166217272 /nfs/dbraw/zinc/21/72/72/166217272.db2.gz GXRZVRGDJQMNEL-VHSXEESVSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@H](C)C[C@H](O)c1ccccc1 52144545 166217328 /nfs/dbraw/zinc/21/73/28/166217328.db2.gz YQRKAVFVBOTCDU-JQWIXIFHSA-N 0 0 176.259 2.932 10 30 AFEERN C=C[C@H](C)Oc1ccccc1C#N 39089856 166217520 /nfs/dbraw/zinc/21/75/20/166217520.db2.gz XDDVLLFHAMKNCO-VIFPVBQESA-N 0 0 173.215 2.512 10 30 AFEERN C=C[C@H](C)C[C@H](C)C(=O)CC 5818650 166217523 /nfs/dbraw/zinc/21/75/23/166217523.db2.gz BOBHRIZDBFPAKV-IUCAKERBSA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@H](C)C[C@@H](O)C(C)(C)C 52144589 166217722 /nfs/dbraw/zinc/21/77/22/166217722.db2.gz INNWJJPHJXWDRW-DTWKUNHWSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@@]1(O)C=C[C@H](C(C)C)CC1 39104139 166217736 /nfs/dbraw/zinc/21/77/36/166217736.db2.gz KXASIWPTAJIJRS-WDEREUQCSA-N 0 0 166.264 2.526 10 30 AFEERN C=C[C@H](C)[C@@H]1C=CCC[C@H]1C=O 256080714 166217767 /nfs/dbraw/zinc/21/77/67/166217767.db2.gz FZOJSMSNVKNZQH-DCAQKATOSA-N 0 0 164.248 2.590 10 30 AFEERN C=C[C@@]1(O)C=C[C@@H](C(C)C)CC1 39104140 166217801 /nfs/dbraw/zinc/21/78/01/166217801.db2.gz KXASIWPTAJIJRS-GHMZBOCLSA-N 0 0 166.264 2.526 10 30 AFEERN C=C[C@H](C)Oc1ccccc1 80116530 166217816 /nfs/dbraw/zinc/21/78/16/166217816.db2.gz DTMRXFIDQOGVJS-VIFPVBQESA-N 0 0 148.205 2.640 10 30 AFEERN C=C[C@H](C)Oc1ccc(NC)cc1 52144507 166217846 /nfs/dbraw/zinc/21/78/46/166217846.db2.gz QAZVTWPAEAHGHE-VIFPVBQESA-N 0 0 177.247 2.682 10 30 AFEERN C=C[C@H](C)Nc1ccc(OC)cc1 39089991 166217870 /nfs/dbraw/zinc/21/78/70/166217870.db2.gz YOJHGYKKXPRDBP-VIFPVBQESA-N 0 0 177.247 2.682 10 30 AFEERN C=C[C@H](C)Nc1ccccc1 34478676 166217874 /nfs/dbraw/zinc/21/78/74/166217874.db2.gz DYHSFVIHXKGVNV-VIFPVBQESA-N 0 0 147.221 2.673 10 30 AFEERN C=C[C@H](C)[C@@H]1C=CCC[C@@H]1C=O 5734753 166217918 /nfs/dbraw/zinc/21/79/18/166217918.db2.gz FZOJSMSNVKNZQH-AXFHLTTASA-N 0 0 164.248 2.590 10 30 AFEERN C=C[C@H](C)C[C@@H](C)C(=O)CC 5818701 166217932 /nfs/dbraw/zinc/21/79/32/166217932.db2.gz BOBHRIZDBFPAKV-DTWKUNHWSA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@H](C)C[C@H](O)C(C)(C)C 52144583 166217949 /nfs/dbraw/zinc/21/79/49/166217949.db2.gz INNWJJPHJXWDRW-IUCAKERBSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@@]12CC[C@@H](CC1=O)C2(C)C 32142993 166217987 /nfs/dbraw/zinc/21/79/87/166217987.db2.gz UEVFTEJYOXJPNL-GZMMTYOYSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@H](C)[C@@H](O)c1ccccc1 5368200 166218006 /nfs/dbraw/zinc/21/80/06/166218006.db2.gz DLSYQCLRLSWCDC-GXSJLCMTSA-N 0 0 162.232 2.542 10 30 AFEERN C=C[C@H](C)CC(=O)OC(C)(C)C 222915427 166218013 /nfs/dbraw/zinc/21/80/13/166218013.db2.gz HURUVDUYJWQAJE-QMMMGPOBSA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@H](C(C)C)n1cccc1 210194705 166218025 /nfs/dbraw/zinc/21/80/25/166218025.db2.gz OGQRIBMGJYCYCR-SNVBAGLBSA-N 0 0 149.237 2.871 10 30 AFEERN C=C[C@H](C)[C@@H]1C=CC[C@@](C)(C=O)C1 114246856 166218026 /nfs/dbraw/zinc/21/80/26/166218026.db2.gz YQZCYQJHTVEFFA-QJPTWQEYSA-N 0 0 178.275 2.980 10 30 AFEERN C=C[C@H](C)Sc1ccccc1N 52142481 166218032 /nfs/dbraw/zinc/21/80/32/166218032.db2.gz ONMYZFHLWCOTQW-QMMMGPOBSA-N 0 0 179.288 2.935 10 30 AFEERN C=C[C@H](C)[C@@H]1Cc2ccccc2[C@@H]1O 52144643 166218944 /nfs/dbraw/zinc/21/89/44/166218944.db2.gz HWDUHXFHJYAKET-XDTLVQLUSA-N 0 0 188.270 2.714 10 30 AFEERN C=C[C@H](C=C(C)C)C(C)(C)O 14690792 166219004 /nfs/dbraw/zinc/21/90/04/166219004.db2.gz JWGLVEFPXSKNBN-SECBINFHSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@H](C)[C@@H]1C[C@H](CC)CC[C@H]1O 52144689 166219026 /nfs/dbraw/zinc/21/90/26/166219026.db2.gz XXMKHKCXYLJSHT-WHOHXGKFSA-N 0 0 182.307 2.996 10 30 AFEERN C=C[C@H](O)CC1CCCCC1 34259733 166219046 /nfs/dbraw/zinc/21/90/46/166219046.db2.gz XYPCFYDZWKTHRT-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@H](C)[C@H]1C=CCC[C@H]1C=O 256080715 166219069 /nfs/dbraw/zinc/21/90/69/166219069.db2.gz FZOJSMSNVKNZQH-GARJFASQSA-N 0 0 164.248 2.590 10 30 AFEERN C=C[C@H](CC)c1ccncc1 39054498 166219147 /nfs/dbraw/zinc/21/91/47/166219147.db2.gz KSHXKHLVWCSOJZ-SECBINFHSA-N 0 0 147.221 2.761 10 30 AFEERN C=C[C@H](C)[C@@H]1C[C@@H](C)CCC1=O 52143406 166219197 /nfs/dbraw/zinc/21/91/97/166219197.db2.gz VGSRHFNZRGLHHI-GUBZILKMSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H](CC=O)c1ccccc1 1850914 166219237 /nfs/dbraw/zinc/21/92/37/166219237.db2.gz XQTAGXUFCZLHIQ-SNVBAGLBSA-N 0 0 160.216 2.545 10 30 endogenous,in-man AFEERN C=C[C@H](C)[C@@H]1CNc2ccccc2N1 39115328 166219277 /nfs/dbraw/zinc/21/92/77/166219277.db2.gz AKXJTFPPYKSUNO-CABZTGNLSA-N 0 0 188.274 2.715 10 30 AFEERN C=C[C@H](C)[C@H]1C=CC[C@@](C)(C=O)C1 114246852 166219327 /nfs/dbraw/zinc/21/93/27/166219327.db2.gz YQZCYQJHTVEFFA-SDDRHHMPSA-N 0 0 178.275 2.980 10 30 AFEERN C=C[C@H](C)[C@H]1CCCCC[C@@H]1O 52144638 166219354 /nfs/dbraw/zinc/21/93/54/166219354.db2.gz DCDIVQZBCBENBO-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@H](C)[C@H]1C=CCC[C@@H]1C=O 5734758 166219358 /nfs/dbraw/zinc/21/93/58/166219358.db2.gz FZOJSMSNVKNZQH-HBNTYKKESA-N 0 0 164.248 2.590 10 30 AFEERN C=C[C@H]1CC(=O)c2ccccc2S1 40828619 166219393 /nfs/dbraw/zinc/21/93/93/166219393.db2.gz UJUZIYCNGKUFPR-QMMMGPOBSA-N 0 0 190.267 2.920 10 30 AFEERN C=C[C@H](C)c1ccc(O)cc1 6020338 166219401 /nfs/dbraw/zinc/21/94/01/166219401.db2.gz HLGJKPJMZKHFDC-QMMMGPOBSA-N 0 0 148.205 2.682 10 30 AFEERN C=C[C@H](O)c1nc2ccccc2s1 45236583 166219560 /nfs/dbraw/zinc/21/95/60/166219560.db2.gz INZBFOAXCOWCQO-QMMMGPOBSA-N 0 0 191.255 2.516 10 30 AFEERN C=C[C@H](C)[C@@H]1CCCCC1=O 39090906 166219589 /nfs/dbraw/zinc/21/95/89/166219589.db2.gz LDXRWNQVMIYPLJ-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H](C)[C@@H]1C[C@@H](CC)CC[C@@H]1O 52144687 166219613 /nfs/dbraw/zinc/21/96/13/166219613.db2.gz XXMKHKCXYLJSHT-BJDJZHNGSA-N 0 0 182.307 2.996 10 30 AFEERN C=C[C@H](C)c1cccc(C(=O)OC)c1 114529486 166219671 /nfs/dbraw/zinc/21/96/71/166219671.db2.gz FZJDYIQRYCTHDW-VIFPVBQESA-N 0 0 190.242 2.763 10 30 AFEERN C=C[C@H](C)c1cc(C)ccn1 39051842 166219729 /nfs/dbraw/zinc/21/97/29/166219729.db2.gz ZYFVPQVOKNXVGN-VIFPVBQESA-N 0 0 147.221 2.680 10 30 AFEERN C=C[C@H](C)[C@@H]1CCCCC[C@@H]1O 52144633 166219761 /nfs/dbraw/zinc/21/97/61/166219761.db2.gz DCDIVQZBCBENBO-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@H](C)[C@@H]1C[C@@H](C)CC[C@@H]1O 52144676 166219870 /nfs/dbraw/zinc/21/98/70/166219870.db2.gz ATSJSHIZXZLXJC-NAKRPEOUSA-N 0 0 168.280 2.606 10 30 AFEERN C=C[C@H](O)C12CC3CC(CC(C3)C1)C2 38312700 166219958 /nfs/dbraw/zinc/21/99/58/166219958.db2.gz RWNMNWYVZCECON-RFMXUXEOSA-N 0 0 192.302 2.750 10 30 AFEERN C=C[C@H](C)[C@H]1C[C@@H](C)CCC1=O 52143411 166220002 /nfs/dbraw/zinc/22/00/02/166220002.db2.gz VGSRHFNZRGLHHI-LPEHRKFASA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H](C)[C@@H]1C[C@H](CC)CC[C@@H]1O 52144684 166220021 /nfs/dbraw/zinc/22/00/21/166220021.db2.gz XXMKHKCXYLJSHT-USZNOCQGSA-N 0 0 182.307 2.996 10 30 AFEERN C=C[C@H](C)[C@H]1CNc2ccccc2N1 39115330 166220022 /nfs/dbraw/zinc/22/00/22/166220022.db2.gz AKXJTFPPYKSUNO-JOYOIKCWSA-N 0 0 188.274 2.715 10 30 AFEERN C=C[C@H](C)c1ccccc1O 34478692 166220046 /nfs/dbraw/zinc/22/00/46/166220046.db2.gz KXVJXEPOPKSHOJ-QMMMGPOBSA-N 0 0 148.205 2.682 10 30 AFEERN C=C[C@H](C)c1cccc2c1NCC2 34728452 166220048 /nfs/dbraw/zinc/22/00/48/166220048.db2.gz MSZYPXYVVPEIFU-VIFPVBQESA-N 0 0 173.259 2.944 10 30 AFEERN C=C[C@H]1CCC/C1=C/COC 39111576 166220052 /nfs/dbraw/zinc/22/00/52/166220052.db2.gz DEWAETOKIDTHRF-CBFJXKFUSA-N 0 0 152.237 2.545 10 30 AFEERN C=C[C@H](O)c1ccccc1Cl 34372291 166220056 /nfs/dbraw/zinc/22/00/56/166220056.db2.gz MDWQDIDCACELQO-VIFPVBQESA-N 0 0 168.623 2.559 10 30 AFEERN C=C[C@H](C)c1cccc(OC)c1O 75568522 166220058 /nfs/dbraw/zinc/22/00/58/166220058.db2.gz FOJZURVNLWVADF-QMMMGPOBSA-N 0 0 178.231 2.690 10 30 AFEERN C=C[C@H](C)[C@@H]1C[C@@H](CC)CC[C@H]1O 52144691 166220072 /nfs/dbraw/zinc/22/00/72/166220072.db2.gz XXMKHKCXYLJSHT-FIQHERPVSA-N 0 0 182.307 2.996 10 30 AFEERN C=C[C@H](C)[C@H]1CCCCC1=O 39090907 166220074 /nfs/dbraw/zinc/22/00/74/166220074.db2.gz LDXRWNQVMIYPLJ-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H](C)[C@H]1Cc2ccccc2[C@@H]1O 52144648 166220081 /nfs/dbraw/zinc/22/00/81/166220081.db2.gz HWDUHXFHJYAKET-BIMULSAOSA-N 0 0 188.270 2.714 10 30 AFEERN C=C[C@H](CC)n1nnc2ccccc21 5476349 166220111 /nfs/dbraw/zinc/22/01/11/166220111.db2.gz OACCDWHPNWWWHK-SECBINFHSA-N 0 0 187.246 2.568 10 30 AFEERN C=C[C@H](CC(C)=O)c1ccccc1 5601952 166220127 /nfs/dbraw/zinc/22/01/27/166220127.db2.gz FVXSOKFSQCKZDF-LLVKDONJSA-N 0 0 174.243 2.935 10 30 AFEERN C=C[C@H]1CCCC[C@]1(C)C=O 75539758 166220441 /nfs/dbraw/zinc/22/04/41/166220441.db2.gz NRHXXZDYALZOBH-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H]1CC[C@H](C=C)C1 108530067 166220476 /nfs/dbraw/zinc/22/04/76/166220476.db2.gz HLGOWXWFQWQIBW-IUCAKERBSA-N 0 0 122.211 2.775 10 30 AFEERN C=C[C@H]1CCCC[C@@]1(C=O)CC 75554856 166220539 /nfs/dbraw/zinc/22/05/39/166220539.db2.gz IOVMKGCKYZXOSK-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H]1CCO[C@H](c2ccccc2)O1 39120316 166220589 /nfs/dbraw/zinc/22/05/89/166220589.db2.gz JURRHCSQAJTABR-RYUDHWBXSA-N 0 0 190.242 2.677 10 30 AFEERN C=C[C@H]1CCC2=CC(=O)CC[C@]21C 62718822 166220805 /nfs/dbraw/zinc/22/08/05/166220805.db2.gz AFZHZTNEEFORRM-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@H]1CCCC[C@H]1C(C)=O 39069885 166220844 /nfs/dbraw/zinc/22/08/44/166220844.db2.gz HPBAEOFKEKXJNX-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H]1CNc2cc(C)c(C)cc2N1 95922453 166221025 /nfs/dbraw/zinc/22/10/25/166221025.db2.gz XXRDZMQWDWXRPC-JTQLQIEISA-N 0 0 188.274 2.695 10 30 AFEERN C=C[C@H]1CCCC[C@@H]1C(C)=O 39069886 166221033 /nfs/dbraw/zinc/22/10/33/166221033.db2.gz HPBAEOFKEKXJNX-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H]1CCO[C@@H](c2ccccc2)O1 39120320 166221039 /nfs/dbraw/zinc/22/10/39/166221039.db2.gz JURRHCSQAJTABR-NWDGAFQWSA-N 0 0 190.242 2.677 10 30 AFEERN C=C[C@H]1CCCC[C@]1(C=O)CC 75554860 166221105 /nfs/dbraw/zinc/22/11/05/166221105.db2.gz IOVMKGCKYZXOSK-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H]1CC[C@@H](C=C)C1 108530062 166221107 /nfs/dbraw/zinc/22/11/07/166221107.db2.gz HLGOWXWFQWQIBW-DTORHVGOSA-N 0 0 122.211 2.775 10 30 AFEERN C=C[C@H]1CCCC[C@@]1(C)C=O 75539761 166221113 /nfs/dbraw/zinc/22/11/13/166221113.db2.gz NRHXXZDYALZOBH-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H]1COC/C1=C/c1ccccc1 90735184 166221123 /nfs/dbraw/zinc/22/11/23/166221123.db2.gz OAYNRSVIVNXAMS-OEMOTLHWSA-N 0 0 186.254 2.902 10 30 AFEERN C=C[C@H]1CNc2ccc(C)cc21 238498789 166221152 /nfs/dbraw/zinc/22/11/52/166221152.db2.gz UNFHVMQMIRWMQR-VIFPVBQESA-N 0 0 159.232 2.690 10 30 AFEERN C=C[C@H]1CCC2=CC(=O)CC[C@@]21C 62718825 166221172 /nfs/dbraw/zinc/22/11/72/166221172.db2.gz AFZHZTNEEFORRM-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@]1(C)CC(=O)c2c(C)coc2C1 104837211 166221564 /nfs/dbraw/zinc/22/15/64/166221564.db2.gz VDXZDDRBYOWKSI-GFCCVEGCSA-N 0 0 190.242 2.909 10 30 AFEERN C=C[C@]1(C)CC[C@H](C(C)C)O1 104846221 166221587 /nfs/dbraw/zinc/22/15/87/166221587.db2.gz GPVKUNYYWAKDRY-NXEZZACHSA-N 0 0 154.253 2.766 10 30 AFEERN C=C[C@]1(C)CC(=O)[C@@H]2C[C@H]1C2(C)C 43763050 166221668 /nfs/dbraw/zinc/22/16/68/166221668.db2.gz UKOUVTROMKPGBE-PTOFAABTSA-N 0 0 178.275 2.814 10 30 AFEERN C=C[C@](C)(O)CCCC(=C)C 1846006 166221685 /nfs/dbraw/zinc/22/16/85/166221685.db2.gz GYJHTGZQPKPEOT-JTQLQIEISA-N 0 0 154.253 2.670 10 30 AFEERN C=C[C@]1(O)C=C[C@H](C(C)C)CC1 39104137 166221831 /nfs/dbraw/zinc/22/18/31/166221831.db2.gz KXASIWPTAJIJRS-QWRGUYRKSA-N 0 0 166.264 2.526 10 30 AFEERN C=C[C@](C)(O)CCCCCC 5820608 166221866 /nfs/dbraw/zinc/22/18/66/166221866.db2.gz CXFWZMIYAODOSX-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN C=C[C@]1(C)CC(=O)CC(C)(C)C1 32227562 166221873 /nfs/dbraw/zinc/22/18/73/166221873.db2.gz AZSYSENNSFSBSP-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@]1(C)CC[C@@H](C(C)C)O1 104846219 166221926 /nfs/dbraw/zinc/22/19/26/166221926.db2.gz GPVKUNYYWAKDRY-VHSXEESVSA-N 0 0 154.253 2.766 10 30 AFEERN C=C[C@](C)(O)CCCCC 2014866 166222008 /nfs/dbraw/zinc/22/20/08/166222008.db2.gz DRKRLMZMGTWUSQ-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN C=C[C@]1(O)C=C[C@@H](C(C)C)CC1 39104138 166222143 /nfs/dbraw/zinc/22/21/43/166222143.db2.gz KXASIWPTAJIJRS-MNOVXSKESA-N 0 0 166.264 2.526 10 30 AFEERN C=C[C@]12CC[C@H](CC1=O)C2(C)C 32142990 166222153 /nfs/dbraw/zinc/22/21/53/166222153.db2.gz UEVFTEJYOXJPNL-KCJUWKMLSA-N 0 0 164.248 2.568 10 30 AFEERN C=Cc1ccc(F)c(C#N)c1C 113484443 166222553 /nfs/dbraw/zinc/22/25/53/166222553.db2.gz HQQPQWYLUKZGKH-UHFFFAOYSA-N 0 0 161.179 2.649 10 30 AFEERN C=Cc1cccc2[nH]cc(CC=O)c12 207055213 166223063 /nfs/dbraw/zinc/22/30/63/166223063.db2.gz BZWHZKFQLWZSSP-UHFFFAOYSA-N 0 0 185.226 2.552 10 30 AFEERN C=Cc1cccc2[nH]cc(CC#N)c12 207055153 166223189 /nfs/dbraw/zinc/22/31/89/166223189.db2.gz HFKMUMFUCWHYPO-UHFFFAOYSA-N 0 0 182.226 2.877 10 30 AFEERN C=Cc1ccc2nccc(C#N)c2c1 39140277 166223260 /nfs/dbraw/zinc/22/32/60/166223260.db2.gz ARMFRDFZCCDZJT-UHFFFAOYSA-N 0 0 180.210 2.749 10 30 AFEERN C=Cc1ccc(C#N)cc1OC(C)C 39090283 166223388 /nfs/dbraw/zinc/22/33/88/166223388.db2.gz XIFGSEZIDFTHMR-UHFFFAOYSA-N 0 0 187.242 2.988 10 30 AFEERN C=Cc1cccn1CC(=C)C 39079764 166224558 /nfs/dbraw/zinc/22/45/58/166224558.db2.gz PYKXTFZPMJADNC-UHFFFAOYSA-N 0 0 147.221 2.707 10 30 AFEERN C=Cn1ccc(C(=C)C)c1 39078029 166224691 /nfs/dbraw/zinc/22/46/91/166224691.db2.gz DFQSXYLATPCYMU-UHFFFAOYSA-N 0 0 133.194 2.622 10 30 AFEERN C=Nc1cccc([Si](C)(C)C)c1 195794955 166226036 /nfs/dbraw/zinc/22/60/36/166226036.db2.gz LCOWBDZIQUSZQA-UHFFFAOYSA-N 0 0 177.323 2.564 10 30 AFEERN C=NN1C(C)(C)CCCC1(C)C 5762218 166226178 /nfs/dbraw/zinc/22/61/78/166226178.db2.gz FUZUXFGUZUHTCB-UHFFFAOYSA-N 0 0 168.284 2.645 10 30 AFEERN C=Nc1ccc([Si](C)(C)C)cc1 195775588 166226245 /nfs/dbraw/zinc/22/62/45/166226245.db2.gz ZTRZFDHKRUGFDT-UHFFFAOYSA-N 0 0 177.323 2.564 10 30 AFEERN C=N/N=C\c1ccc(C(C)C)cc1 39104745 166226349 /nfs/dbraw/zinc/22/63/49/166226349.db2.gz GYJVBCHLDHJRBA-JYRVWZFOSA-N 0 0 174.247 2.845 10 30 AFEERN CC#CCCNc1ccccc1 34567018 166227011 /nfs/dbraw/zinc/22/70/11/166227011.db2.gz NUJXMPBAXYYZOK-UHFFFAOYSA-N 0 0 159.232 2.512 10 30 AFEERN CC#CCC[C@H](O)c1ccccc1 51666173 166227057 /nfs/dbraw/zinc/22/70/57/166227057.db2.gz LQEUJGNLTNBFOP-LBPRGKRZSA-N 0 0 174.243 2.524 10 30 AFEERN CC#CCC[C@@H](O)c1ccccc1 51666175 166227061 /nfs/dbraw/zinc/22/70/61/166227061.db2.gz LQEUJGNLTNBFOP-GFCCVEGCSA-N 0 0 174.243 2.524 10 30 AFEERN CC#CC[C@H](O)c1cccc(Cl)c1 51664697 166228807 /nfs/dbraw/zinc/22/88/07/166228807.db2.gz ZZWSMMWLOGFTMZ-NSHDSACASA-N 0 0 194.661 2.787 10 30 AFEERN CC#CC[C@H](O)c1ccccc1Cl 51664898 166228895 /nfs/dbraw/zinc/22/88/95/166228895.db2.gz VNDAOUIETYJIMX-NSHDSACASA-N 0 0 194.661 2.787 10 30 AFEERN CC#CC[C@H](O)c1ccc(C)c(F)c1 51664775 166228920 /nfs/dbraw/zinc/22/89/20/166228920.db2.gz ILMIABAXXSPTJI-LBPRGKRZSA-N 0 0 192.233 2.581 10 30 AFEERN CC#CC[C@H](O)c1ccc(CC)cc1 51664731 166228956 /nfs/dbraw/zinc/22/89/56/166228956.db2.gz UBCJSEJUBBUJQY-ZDUSSCGKSA-N 0 0 188.270 2.696 10 30 AFEERN CC#CC[C@H](O)C1CCC(C)CC1 51664890 166228975 /nfs/dbraw/zinc/22/89/75/166228975.db2.gz RKCYSFCVDDZWDA-MCIGGMRASA-N 0 0 180.291 2.587 10 30 AFEERN CC#CC[C@H](O)c1ccc(F)c(C)c1 51664802 166228976 /nfs/dbraw/zinc/22/89/76/166228976.db2.gz GRGKCTOCEDSKAL-LBPRGKRZSA-N 0 0 192.233 2.581 10 30 AFEERN CC#CC[C@H]1CCc2ccccc2C1=O 51664265 166228989 /nfs/dbraw/zinc/22/89/89/166228989.db2.gz QBXFJAFPNICBKH-LBPRGKRZSA-N 0 0 198.265 2.845 10 30 AFEERN CC#CC[C@H]1C[C@@H](CC)CCC1=O 51664287 166228991 /nfs/dbraw/zinc/22/89/91/166228991.db2.gz QTUXAHFYDOOCQD-QWRGUYRKSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CC[C@]1(C)CCC[C@H](C)C1=O 104843221 166228994 /nfs/dbraw/zinc/22/89/94/166228994.db2.gz AIFMESQWOARHIX-CMPLNLGQSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CC[C@]1(C)CCC[C@@H](C)C1=O 104843228 166229010 /nfs/dbraw/zinc/22/90/10/166229010.db2.gz AIFMESQWOARHIX-ZYHUDNBSSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CC[C@H]1C[C@H](CC)CCC1=O 51664285 166229038 /nfs/dbraw/zinc/22/90/38/166229038.db2.gz QTUXAHFYDOOCQD-MNOVXSKESA-N 0 0 178.275 2.795 10 30 AFEERN CC#CC[C@H](O)c1ccc(Cl)cc1 51664679 166229044 /nfs/dbraw/zinc/22/90/44/166229044.db2.gz JYEAMWDRVUCBKS-NSHDSACASA-N 0 0 194.661 2.787 10 30 AFEERN CC#CC[C@H]1CCCCCC1=O 51664272 166229050 /nfs/dbraw/zinc/22/90/50/166229050.db2.gz WQJBYBGACLYRGC-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN CC(=NO)c1ccc(C)cc1C 242649048 166229847 /nfs/dbraw/zinc/22/98/47/166229847.db2.gz RSSGOWVBFSISJN-UHFFFAOYSA-N 0 0 163.220 2.502 10 30 AFEERN CC(=NO)c1ccccc1Cl 252369988 166230903 /nfs/dbraw/zinc/23/09/03/166230903.db2.gz MBKGQYQOTXYSRQ-UHFFFAOYSA-N 0 0 169.611 2.538 10 30 AFEERN CC(=O)/C=C(/C)CC(C)(C)C 111884526 166232283 /nfs/dbraw/zinc/23/22/83/166232283.db2.gz YQNTTZALAZYHKN-VURMDHGXSA-N 0 0 154.253 2.958 10 30 AFEERN CC(=O)/C=C\[C@H](C)c1ccccc1 100233001 166233402 /nfs/dbraw/zinc/23/34/02/166233402.db2.gz ALFALFNFEGCXJO-QROTZFDESA-N 0 0 174.243 2.935 10 30 AFEERN CC(=O)C=C1Nc2ccccc2S1 95921984 166233406 /nfs/dbraw/zinc/23/34/06/166233406.db2.gz SQKFCVYQRIARBB-UXBLZVDNSA-N 0 0 191.255 2.635 10 30 AFEERN CC(=O)/N=C\C1CCCCCCC1 95923423 166233410 /nfs/dbraw/zinc/23/34/10/166233410.db2.gz UVQSLOGBLLOZRB-XFXZXTDPSA-N 0 0 181.279 2.964 10 30 AFEERN CC(=O)/C=C\C=C\c1ccccc1 16974395 166233516 /nfs/dbraw/zinc/23/35/16/166233516.db2.gz PRNUCJKOERXADE-ZPRNNRRZSA-N 0 0 172.227 2.845 10 30 AFEERN CC(=O)/C=C\C1CCCCC1 100221482 166233542 /nfs/dbraw/zinc/23/35/42/166233542.db2.gz PZJXLLHDHUDWFH-FPLPWBNLSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C=C\[C@@H](C)c1ccccc1 31361455 166233576 /nfs/dbraw/zinc/23/35/76/166233576.db2.gz ALFALFNFEGCXJO-HSTULFTRSA-N 0 0 174.243 2.935 10 30 AFEERN CC(=O)/C=C\C=C/c1ccccc1 16974390 166233722 /nfs/dbraw/zinc/23/37/22/166233722.db2.gz PRNUCJKOERXADE-FWXHXWNTSA-N 0 0 172.227 2.845 10 30 AFEERN CC(=O)/C=C\c1ccc2c(c1)CCC2 108555085 166233886 /nfs/dbraw/zinc/23/38/86/166233886.db2.gz KDKYOMHTMRINOE-WAYWQWQTSA-N 0 0 186.254 2.778 10 30 AFEERN CC(=O)/C=C\c1cc(F)ccc1F 33336958 166233970 /nfs/dbraw/zinc/23/39/70/166233970.db2.gz FSJFTIKWMINGNS-IHWYPQMZSA-N 0 0 182.169 2.567 10 30 AFEERN CC(=O)/C=C\Sc1ccc(O)cc1 42966930 166233984 /nfs/dbraw/zinc/23/39/84/166233984.db2.gz BMACTJGPAGQQPO-SREVYHEPSA-N 0 0 194.255 2.587 10 30 AFEERN CC(=O)C1=C(C)CCC=CC1 100219993 166234869 /nfs/dbraw/zinc/23/48/69/166234869.db2.gz WDWIZZMEZIFGOT-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(=O)C1=C(Cl)CC(Cl)=C1 39294590 166235277 /nfs/dbraw/zinc/23/52/77/166235277.db2.gz QAUYGSPRQSXVHY-UHFFFAOYSA-N 0 0 177.030 2.595 10 30 AFEERN CC(=O)C1=C(C)[C@H](C)CCC1 34212891 166235366 /nfs/dbraw/zinc/23/53/66/166235366.db2.gz OOVPGFXHNYHPKH-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)C1=C(C)CCC1(C)C 39069872 166235400 /nfs/dbraw/zinc/23/54/00/166235400.db2.gz HLAVHVYCRZRWTB-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)C/C=C/C#CC(C)(C)C 43875600 166235520 /nfs/dbraw/zinc/23/55/20/166235520.db2.gz PKAWRCWJILCYCJ-AATRIKPKSA-N 0 0 164.248 2.571 10 30 AFEERN CC(=O)C1=C(C)[C@@H](C)CCC1 34212892 166235539 /nfs/dbraw/zinc/23/55/39/166235539.db2.gz OOVPGFXHNYHPKH-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)C1=C(C)C(C)=C(C)[C@@H]1C 39071659 166235589 /nfs/dbraw/zinc/23/55/89/166235589.db2.gz OTICVEFADNOVSQ-QMMMGPOBSA-N 0 0 164.248 2.878 10 30 AFEERN CC(=O)C1=C(C)C=CCC1(C)C 33985954 166235630 /nfs/dbraw/zinc/23/56/30/166235630.db2.gz RECXXYXUQURUOK-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN CC(=O)C1=C(C(C)C)CCC1 39069818 166235632 /nfs/dbraw/zinc/23/56/32/166235632.db2.gz KCNARJBZYCKGND-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)C1=C(C)C(C)=C(C)[C@H]1C 39071657 166235635 /nfs/dbraw/zinc/23/56/35/166235635.db2.gz OTICVEFADNOVSQ-MRVPVSSYSA-N 0 0 164.248 2.878 10 30 AFEERN CC(=O)C1=C(C)CC=CC1(C)C 100221366 166235650 /nfs/dbraw/zinc/23/56/50/166235650.db2.gz SKCPVGKKBVICIP-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN CC(=O)C1=CC(C)(C)C[C@@H]1C 39069875 166236756 /nfs/dbraw/zinc/23/67/56/166236756.db2.gz IMQKPPJPBHEPFZ-ZETCQYMHSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)C1=CCCCC=C1C 39069649 166236780 /nfs/dbraw/zinc/23/67/80/166236780.db2.gz CGULKRBAIYKADN-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(=O)C1=CCCc2ccccc21 36178655 166236793 /nfs/dbraw/zinc/23/67/93/166236793.db2.gz OUZPHFHCYBXKAY-UHFFFAOYSA-N 0 0 172.227 2.605 10 30 in-vivo AFEERN CC(=O)C1=CCC[C@@H]2CCC[C@H]12 39071516 166236795 /nfs/dbraw/zinc/23/67/95/166236795.db2.gz PGNORTNBPMFNKR-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)C1=CCCC=C(C)C1 39069689 166236889 /nfs/dbraw/zinc/23/68/89/166236889.db2.gz DUQZFUVDGQFZMG-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(=O)C1=CCCC(C)=CC1 39069705 166236894 /nfs/dbraw/zinc/23/68/94/166236894.db2.gz OLRVBEQPTFBLHH-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(=O)C1=C2CCC[C@@H]2CCC1 39071610 166236904 /nfs/dbraw/zinc/23/69/04/166236904.db2.gz IMJGTRHUSZGALJ-VIFPVBQESA-N 0 0 164.248 2.856 10 30 AFEERN CC(=O)C1=C2CCC[C@H]2CCC1 39071612 166236960 /nfs/dbraw/zinc/23/69/60/166236960.db2.gz IMJGTRHUSZGALJ-SECBINFHSA-N 0 0 164.248 2.856 10 30 AFEERN CC(=O)C1=CC(C)(C)C[C@H]1C 39069874 166237008 /nfs/dbraw/zinc/23/70/08/166237008.db2.gz IMQKPPJPBHEPFZ-SSDOTTSWSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)C1=CCC[C@H]2CCC[C@@H]12 39071518 166237048 /nfs/dbraw/zinc/23/70/48/166237048.db2.gz PGNORTNBPMFNKR-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)C1=CC[C@H]2C[C@@H]1C2(C)C 39071534 166237080 /nfs/dbraw/zinc/23/70/80/166237080.db2.gz KVEJFJCLGGIDJP-WPRPVWTQSA-N 0 0 164.248 2.568 10 30 AFEERN CC(=O)C1=CNc2ccccc2S1 196490378 166237097 /nfs/dbraw/zinc/23/70/97/166237097.db2.gz JNJYZVIEZHFUOS-UHFFFAOYSA-N 0 0 191.255 2.635 10 30 AFEERN CC(=O)C1=CCC=CCCC1 39069702 166237112 /nfs/dbraw/zinc/23/71/12/166237112.db2.gz BCGQJUBGCJDTCO-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(=O)C1=CC=C(C)C=CCC1 100092482 166237149 /nfs/dbraw/zinc/23/71/49/166237149.db2.gz BSAWPLQYBKUYGF-UHFFFAOYSA-N 0 0 162.232 2.798 10 30 AFEERN CC(=O)C1=CCC[C@@H]2CCC[C@@H]12 39071520 166237201 /nfs/dbraw/zinc/23/72/01/166237201.db2.gz PGNORTNBPMFNKR-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)C1=CCCCCCC1 39069846 166237249 /nfs/dbraw/zinc/23/72/49/166237249.db2.gz OTTUWUUZYZNZJD-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CC(=O)C1=CC(C)(C)CCC1 5196371 166237292 /nfs/dbraw/zinc/23/72/92/166237292.db2.gz JIYZCVGAWRMUDR-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)C1=CCC[C@H]2CCC[C@H]12 39071514 166237335 /nfs/dbraw/zinc/23/73/35/166237335.db2.gz PGNORTNBPMFNKR-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)CC1=C(C)CC(C)(C)CC1=O 62720217 166240764 /nfs/dbraw/zinc/24/07/64/166240764.db2.gz XDXNALZFDMJRCS-UHFFFAOYSA-N 0 0 194.274 2.671 10 30 AFEERN CC(=O)[C@@H](C)CC#Cc1ccccc1 51814633 166294801 /nfs/dbraw/zinc/29/48/01/166294801.db2.gz KNVBUILFJHOBIP-NSHDSACASA-N 0 0 186.254 2.653 10 30 AFEERN CC(=O)[C@H](C)CC#Cc1ccccc1 51814634 166307361 /nfs/dbraw/zinc/30/73/61/166307361.db2.gz KNVBUILFJHOBIP-LLVKDONJSA-N 0 0 186.254 2.653 10 30 AFEERN CC(=O)c1ccc([C@@H](C)C=O)cc1C 75579821 166324055 /nfs/dbraw/zinc/32/40/55/166324055.db2.gz GRDNEQOWWUJVJK-VIFPVBQESA-N 0 0 190.242 2.500 10 30 AFEERN CC(=O)c1ccc([C@H](C)C=O)cc1C 75579822 166324106 /nfs/dbraw/zinc/32/41/06/166324106.db2.gz GRDNEQOWWUJVJK-SECBINFHSA-N 0 0 190.242 2.500 10 30 AFEERN CC(=O)c1ccc(SCC#N)cc1 58018242 166325312 /nfs/dbraw/zinc/32/53/12/166325312.db2.gz CLGFRNOPOTYJPV-UHFFFAOYSA-N 0 0 191.255 2.505 10 30 AFEERN CC(=O)c1cccc(N=[N+]=[N-])c1 38879974 166327651 /nfs/dbraw/zinc/32/76/51/166327651.db2.gz HANPLRJJHYSJSF-UHFFFAOYSA-N 0 0 161.164 2.831 10 30 in-vitro AFEERN CC(=O)c1ccc2oc(C#N)cc2c1 39435997 166328320 /nfs/dbraw/zinc/32/83/20/166328320.db2.gz JMPRZGVOMJTRLP-UHFFFAOYSA-N 0 0 185.182 2.507 10 30 AFEERN CC(=O)c1ccccc1N=[N+]=[N-] 34617854 166329300 /nfs/dbraw/zinc/32/93/00/166329300.db2.gz ACUJRODIVADEJB-UHFFFAOYSA-N 0 0 161.164 2.831 10 30 in-vitro AFEERN CC(=O)c1sc(Cl)c(C#N)c1C 82383500 166335308 /nfs/dbraw/zinc/33/53/08/166335308.db2.gz ZJANPUAFGVZMDN-UHFFFAOYSA-N 0 0 199.662 2.784 10 30 AFEERN CC(C)(C#N)CC#CCC(C)(C)C#N 2535762 166337976 /nfs/dbraw/zinc/33/79/76/166337976.db2.gz YHRGZBPHIJBJMR-UHFFFAOYSA-N 0 0 188.274 2.870 10 30 AFEERN CC(C)(C#N)COc1cccc(F)c1 41206176 166339898 /nfs/dbraw/zinc/33/98/98/166339898.db2.gz PYNYVSPFMRZIBS-UHFFFAOYSA-N 0 0 193.221 2.754 10 30 AFEERN CC(C)(C#N)Nc1ccc(F)cc1F 57489881 166339990 /nfs/dbraw/zinc/33/99/90/166339990.db2.gz PWIQDBAJSVJJAX-UHFFFAOYSA-N 0 0 196.200 2.679 10 30 AFEERN CC(C)(C#N)COc1ccc(F)cc1 41206178 166340045 /nfs/dbraw/zinc/34/00/45/166340045.db2.gz PXQYYNBAUZTUEC-UHFFFAOYSA-N 0 0 193.221 2.754 10 30 AFEERN CC(C)(C#N)c1ccc(F)c(F)c1F 75934344 166340215 /nfs/dbraw/zinc/34/02/15/166340215.db2.gz NTQBQXWNUOXZQP-UHFFFAOYSA-N 0 0 199.175 2.905 10 30 AFEERN CC(C)(C#N)Cc1cccc(C#N)c1 49804162 166340361 /nfs/dbraw/zinc/34/03/61/166340361.db2.gz KGIJAKBZTWVXAY-UHFFFAOYSA-N 0 0 184.242 2.651 10 30 AFEERN CC(C)(C#N)c1cc(F)ccc1F 75934334 166340488 /nfs/dbraw/zinc/34/04/88/166340488.db2.gz OJXRZQUJRMUFOY-UHFFFAOYSA-N 0 0 181.185 2.766 10 30 AFEERN CC(C)(C#N)COc1ccccc1F 41206174 166340517 /nfs/dbraw/zinc/34/05/17/166340517.db2.gz NZVFCOQKVNQTRR-UHFFFAOYSA-N 0 0 193.221 2.754 10 30 AFEERN CC(C)(C#N)NC1CCCCCC1 20177747 166340551 /nfs/dbraw/zinc/34/05/51/166340551.db2.gz BUOMMIAQTQMEEA-UHFFFAOYSA-N 0 0 180.295 2.601 10 30 AFEERN CC(C)(C#N)c1ccc(Cl)c(N)c1 75597313 166340575 /nfs/dbraw/zinc/34/05/75/166340575.db2.gz RUNAUCKAQWDDTH-UHFFFAOYSA-N 0 0 194.665 2.723 10 30 AFEERN CC(C)(C#N)c1ccc(N)c(Cl)c1 75597317 166340629 /nfs/dbraw/zinc/34/06/29/166340629.db2.gz OHSKDXJKZDBFHC-UHFFFAOYSA-N 0 0 194.665 2.723 10 30 AFEERN CC(C)(C#N)c1c(F)ccc(F)c1F 75934346 166340686 /nfs/dbraw/zinc/34/06/86/166340686.db2.gz OUVCPRWFRADVQD-UHFFFAOYSA-N 0 0 199.175 2.905 10 30 AFEERN CC(C)(C#N)Cc1ccc(C#N)cc1 36466693 166340772 /nfs/dbraw/zinc/34/07/72/166340772.db2.gz IZYYQUHZYQBWDG-UHFFFAOYSA-N 0 0 184.242 2.651 10 30 AFEERN CC(C)(C#N)c1ccc2c(c1)CCC2 58520419 166340787 /nfs/dbraw/zinc/34/07/87/166340787.db2.gz NNRWGPYXBLWIDH-UHFFFAOYSA-N 0 0 185.270 2.976 10 30 AFEERN CC(C)(C#N)Nc1ccc(F)c(F)c1 57489884 166340811 /nfs/dbraw/zinc/34/08/11/166340811.db2.gz OOIUSUQMNBNXKN-UHFFFAOYSA-N 0 0 196.200 2.679 10 30 AFEERN CC(C)(C#N)[C@@H]1C=CCCC1 75538532 166340825 /nfs/dbraw/zinc/34/08/25/166340825.db2.gz PDNICROZIDEDKL-SECBINFHSA-N 0 0 149.237 2.892 10 30 AFEERN CC(C)(C#N)c1c(F)cc(F)cc1F 75934343 166340872 /nfs/dbraw/zinc/34/08/72/166340872.db2.gz XYVZLNKYRDVICR-UHFFFAOYSA-N 0 0 199.175 2.905 10 30 AFEERN CC(C)(C#N)Nc1c(F)cccc1F 57489882 166340935 /nfs/dbraw/zinc/34/09/35/166340935.db2.gz KXAOYRLPJQMMTP-UHFFFAOYSA-N 0 0 196.200 2.679 10 30 AFEERN CC(C)(C#N)COc1ccccc1 41199186 166341186 /nfs/dbraw/zinc/34/11/86/166341186.db2.gz FIJXZBJKJSRBEQ-UHFFFAOYSA-N 0 0 175.231 2.615 10 30 AFEERN CC(C)(C#N)c1cc(F)cc(F)c1 49350916 166341214 /nfs/dbraw/zinc/34/12/14/166341214.db2.gz JKBHAHDMAXYOFM-UHFFFAOYSA-N 0 0 181.185 2.766 10 30 AFEERN CC(C)(C#N)[C@H]1C=CCCC1 75538531 166341558 /nfs/dbraw/zinc/34/15/58/166341558.db2.gz PDNICROZIDEDKL-VIFPVBQESA-N 0 0 149.237 2.892 10 30 AFEERN CC(C)(C#N)c1cc(N)ccc1Cl 75597322 166341862 /nfs/dbraw/zinc/34/18/62/166341862.db2.gz CUQNDMPEDHRURD-UHFFFAOYSA-N 0 0 194.665 2.723 10 30 AFEERN CC(C)(C#N)c1ccc(N)cc1Cl 75597319 166341972 /nfs/dbraw/zinc/34/19/72/166341972.db2.gz ZCAVKXDSLFKPQM-UHFFFAOYSA-N 0 0 194.665 2.723 10 30 AFEERN CC(C)(C#N)Nc1cccc(F)c1 37856863 166342140 /nfs/dbraw/zinc/34/21/40/166342140.db2.gz FJOZEYDRRYCLCK-UHFFFAOYSA-N 0 0 178.210 2.540 10 30 AFEERN CC(C)(C#N)Nc1ccccc1F 37857048 166342211 /nfs/dbraw/zinc/34/22/11/166342211.db2.gz WELRGBFCMAWQSB-UHFFFAOYSA-N 0 0 178.210 2.540 10 30 AFEERN CC(C)(C)/C=C/CC#N 75520819 166343342 /nfs/dbraw/zinc/34/33/42/166343342.db2.gz XUWCVMSAQSVPLD-GQCTYLIASA-N 0 0 123.199 2.502 10 30 AFEERN CC(C)(C)/C=C1/CCCC1=O 39111551 166343437 /nfs/dbraw/zinc/34/34/37/166343437.db2.gz HJHUTVRLTWLONI-FPLPWBNLSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)(C)/N=C(C#N)/C=N/C(C)(C)C 2535764 166343473 /nfs/dbraw/zinc/34/34/73/166343473.db2.gz HXPCPUMHEHPKMK-UQNWOCKMSA-N 0 0 193.294 2.619 10 30 AFEERN CC(C)(C)/N=N/C(C)(C)C#N 5350811 166343802 /nfs/dbraw/zinc/34/38/02/166343802.db2.gz PYKCEDJHRUUDRK-ZHACJKMWSA-N 0 0 153.229 2.539 10 30 AFEERN CC(C)(C)C(=O)n1ccnc1N=[N+]=[N-] 205998142 166346650 /nfs/dbraw/zinc/34/66/50/166346650.db2.gz JVDDNXVBKDXMMN-UHFFFAOYSA-N 0 0 193.210 2.511 10 30 AFEERN CC(C)(C)C(=O)ONc1ccccc1 5351168 166346920 /nfs/dbraw/zinc/34/69/20/166346920.db2.gz KSFSDAVYEZHAKJ-UHFFFAOYSA-N 0 0 193.246 2.603 10 30 AFEERN CC(C)(C)C1(C=O)CCCC1 75541825 166347683 /nfs/dbraw/zinc/34/76/83/166347683.db2.gz OZWWUAANSLDIJM-UHFFFAOYSA-N 0 0 154.253 2.792 10 30 AFEERN CC(C)(C)C1CCC(OCC=O)CC1 38636929 166348447 /nfs/dbraw/zinc/34/84/47/166348447.db2.gz ZTWFAACNANZDRH-UHFFFAOYSA-N 0 0 198.306 2.807 10 30 AFEERN CC(C)(C)C1CCN(CCC#N)CC1 50346949 166348994 /nfs/dbraw/zinc/34/89/94/166348994.db2.gz IPCSBKXDFOIBFJ-UHFFFAOYSA-N 0 0 194.322 2.658 10 30 AFEERN CC(C)(C)C1CCC(O)(CC#N)CC1 75598419 166349781 /nfs/dbraw/zinc/34/97/81/166349781.db2.gz BJQBPFJSFWOTQC-UHFFFAOYSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)(C)C1(C(C)(C)C)CO1 1570405 166349798 /nfs/dbraw/zinc/34/97/98/166349798.db2.gz JSMBLVHIZCPHDX-UHFFFAOYSA-N 0 0 156.269 2.848 10 30 AFEERN CC(C)(C)C[C@H](C#N)NC1CCCC1 61840223 166355699 /nfs/dbraw/zinc/35/56/99/166355699.db2.gz CJFLIPDTFTWHJW-LLVKDONJSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)(C)C[C@@H](C#N)NC1CCCC1 61840222 166356219 /nfs/dbraw/zinc/35/62/19/166356219.db2.gz CJFLIPDTFTWHJW-NSHDSACASA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)(C)N=C1C(C)(C)C(=O)C1(C)C 44477840 166359767 /nfs/dbraw/zinc/35/97/67/166359767.db2.gz IVVWNDDFJZYCFM-UHFFFAOYSA-N 0 0 195.306 2.861 10 30 AFEERN CC#CCC[C@@H]1CCCC(=O)C1 133669383 343924418 /nfs/dbraw/zinc/92/44/18/343924418.db2.gz PMAMAUXOZUXYSD-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN CC(C)(C)NC1(C#N)CCCCC1 20177966 166363628 /nfs/dbraw/zinc/36/36/28/166363628.db2.gz AJZATQJJGNQWFQ-UHFFFAOYSA-N 0 0 180.295 2.601 10 30 AFEERN CC(C)(C)Nc1cccc(F)c1C#N 71506080 166364987 /nfs/dbraw/zinc/36/49/87/166364987.db2.gz RFJSASKIKJLURK-UHFFFAOYSA-N 0 0 192.237 2.908 10 30 AFEERN CC(C)(C)Nc1ccc(C#N)cc1F 36886418 166365220 /nfs/dbraw/zinc/36/52/20/166365220.db2.gz VMXXZADUGSKYIF-UHFFFAOYSA-N 0 0 192.237 2.908 10 30 AFEERN CC(C)(C)N[C@@H](C#N)C1CCCCC1 71506924 166365424 /nfs/dbraw/zinc/36/54/24/166365424.db2.gz SVUVXNLNKMVBPK-NSHDSACASA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)(C)N[C@H](C#N)c1cccs1 19985300 166365558 /nfs/dbraw/zinc/36/55/58/166365558.db2.gz LJTDMOVZINNIOP-MRVPVSSYSA-N 0 0 194.303 2.701 10 30 AFEERN CC(C)(C)N[C@@H](C#N)c1cccs1 19985296 166365590 /nfs/dbraw/zinc/36/55/90/166365590.db2.gz LJTDMOVZINNIOP-QMMMGPOBSA-N 0 0 194.303 2.701 10 30 AFEERN CC(C)(C)NN=C1CCCCC1 5353357 166365989 /nfs/dbraw/zinc/36/59/89/166365989.db2.gz JWJIUAWMOSFEKA-UHFFFAOYSA-N 0 0 168.284 2.695 10 30 AFEERN CC(C)(C)Nc1ccc(CC#N)cc1 82712695 166366126 /nfs/dbraw/zinc/36/61/26/166366126.db2.gz BSBBRQAUTKGNHP-UHFFFAOYSA-N 0 0 188.274 2.963 10 30 AFEERN CC#CCC[C@H]1CCCCCC1=O 133670073 343924449 /nfs/dbraw/zinc/92/44/49/343924449.db2.gz NJLJGRLYKOTMJE-NSHDSACASA-N 0 0 178.275 2.939 10 30 AFEERN CC(C)(C)N[C@H](C#N)C1CCCCC1 71506925 166366643 /nfs/dbraw/zinc/36/66/43/166366643.db2.gz SVUVXNLNKMVBPK-LLVKDONJSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)(C)Nc1ccccc1C#N 20075939 166366989 /nfs/dbraw/zinc/36/69/89/166366989.db2.gz BSUIAIJTUQQDIN-UHFFFAOYSA-N 0 0 174.247 2.769 10 30 AFEERN CC#CCC[C@H]1CCCCC1=O 133666724 343924460 /nfs/dbraw/zinc/92/44/60/343924460.db2.gz IONAZAWYUNKGRJ-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN CC(C)(C)OC(=O)/N=C\c1ccco1 100244190 166368690 /nfs/dbraw/zinc/36/86/90/166368690.db2.gz JWINSALVKKPBML-XFFZJAGNSA-N 0 0 195.218 2.634 10 30 AFEERN CC(C)(C)OC(=O)/N=C/c1ccco1 39091125 166369201 /nfs/dbraw/zinc/36/92/01/166369201.db2.gz JWINSALVKKPBML-YRNVUSSQSA-N 0 0 195.218 2.634 10 30 AFEERN CC(C)(C)OCc1ccc(C#N)cc1 20514560 166372538 /nfs/dbraw/zinc/37/25/38/166372538.db2.gz YIDZCJSTKBMQLJ-UHFFFAOYSA-N 0 0 189.258 2.873 10 30 AFEERN CC(C)(C)Oc1ccc(CC#N)cc1 44369309 166372785 /nfs/dbraw/zinc/37/27/85/166372785.db2.gz ZFTAKYNDQJIFKR-UHFFFAOYSA-N 0 0 189.258 2.930 10 30 AFEERN CC(C)(C)Oc1ccc([C@@H]2CO2)cc1 71506107 166372914 /nfs/dbraw/zinc/37/29/14/166372914.db2.gz JAFYTIHLCWIXTI-NSHDSACASA-N 0 0 192.258 2.935 10 30 AFEERN CC(C)(C)OCc1cccc(C#N)c1 20514501 166373757 /nfs/dbraw/zinc/37/37/57/166373757.db2.gz UEPHUKCUHXCOPM-UHFFFAOYSA-N 0 0 189.258 2.873 10 30 AFEERN CC(C)(C)OCc1ccccc1C#N 20514569 166374047 /nfs/dbraw/zinc/37/40/47/166374047.db2.gz BRWYOBTXWVGFBU-UHFFFAOYSA-N 0 0 189.258 2.873 10 30 AFEERN CC(C)(C)Oc1ccc([C@H]2CO2)cc1 71506108 166374195 /nfs/dbraw/zinc/37/41/95/166374195.db2.gz JAFYTIHLCWIXTI-LLVKDONJSA-N 0 0 192.258 2.935 10 30 AFEERN CC(C)(C)Oc1cccc(F)c1C#N 62567711 166374898 /nfs/dbraw/zinc/37/48/98/166374898.db2.gz BJOVXIKTWGIZLM-UHFFFAOYSA-N 0 0 193.221 2.875 10 30 AFEERN CC(C)(C)[C@@H](O)c1cc(C#N)cs1 75598357 166376200 /nfs/dbraw/zinc/37/62/00/166376200.db2.gz PHYUHGMXOYQSLG-VIFPVBQESA-N 0 0 195.287 2.699 10 30 AFEERN CC(C)(C)[C@@H](O)c1ccc(C#N)s1 75598360 166376620 /nfs/dbraw/zinc/37/66/20/166376620.db2.gz JXCKJWIXSDWIMU-VIFPVBQESA-N 0 0 195.287 2.699 10 30 AFEERN CC(C)(C)[C@@H]1CCC(=O)[C@H](C#N)C1 74304794 166377046 /nfs/dbraw/zinc/37/70/46/166377046.db2.gz URWYUOOOPHAEPL-DTWKUNHWSA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)(C)[C@@H]1CCC(O)=C(C=O)C1 143432155 166377341 /nfs/dbraw/zinc/37/73/41/166377341.db2.gz DHQHUIAZXSDYLP-UFGYOYAJSA-N 0 0 182.263 2.844 10 30 AFEERN CC(C)(C)[C@@H]1CCC(=O)[C@@H](C#N)C1 74304797 166377443 /nfs/dbraw/zinc/37/74/43/166377443.db2.gz URWYUOOOPHAEPL-RKDXNWHRSA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)(C)[C@@H]1CC2=C(OCCC2)C1=O 36437159 166377477 /nfs/dbraw/zinc/37/74/77/166377477.db2.gz IWWSGNWLOHGUQM-SECBINFHSA-N 0 0 194.274 2.686 10 30 AFEERN CC(C)(C)[C@@H]1CC(=O)C=CS1 196466993 166377595 /nfs/dbraw/zinc/37/75/95/166377595.db2.gz VDJWNUFUWRMFLY-QMMMGPOBSA-N 0 0 170.277 2.621 10 30 AFEERN CC(C)(C)[C@@]12CCCC[C@@H]1O2 21988452 166378543 /nfs/dbraw/zinc/37/85/43/166378543.db2.gz YMFPKAVXZRTGRZ-WCBMZHEXSA-N 0 0 154.253 2.744 10 30 AFEERN CC(C)(C)[C@H](C#N)c1ccc[nH]1 75545468 166378780 /nfs/dbraw/zinc/37/87/80/166378780.db2.gz RCYIKEGAGOXMQM-MRVPVSSYSA-N 0 0 162.236 2.668 10 30 AFEERN CC(C)(C)[C@H](C#N)N1CCCCCC1 41051943 166379102 /nfs/dbraw/zinc/37/91/02/166379102.db2.gz MOOUIVMRJYVDRY-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)(C)[C@H]1CC(=O)C=CS1 196467009 166379323 /nfs/dbraw/zinc/37/93/23/166379323.db2.gz VDJWNUFUWRMFLY-MRVPVSSYSA-N 0 0 170.277 2.621 10 30 AFEERN CC(C)(C)[C@H](O)c1ccc(C#N)s1 75598359 166379397 /nfs/dbraw/zinc/37/93/97/166379397.db2.gz JXCKJWIXSDWIMU-SECBINFHSA-N 0 0 195.287 2.699 10 30 AFEERN CC(C)(C)[C@H](O)c1cc(C#N)cs1 75598355 166379455 /nfs/dbraw/zinc/37/94/55/166379455.db2.gz PHYUHGMXOYQSLG-SECBINFHSA-N 0 0 195.287 2.699 10 30 AFEERN CC(C)(C)[C@H](CC#N)CCC#N 75546433 166379503 /nfs/dbraw/zinc/37/95/03/166379503.db2.gz KCFVTZMUKHMNEJ-VIFPVBQESA-N 0 0 164.252 2.866 10 30 AFEERN CC(C)(C)[C@H]1CCC(=O)[C@H](C#N)C1 74304796 166380865 /nfs/dbraw/zinc/38/08/65/166380865.db2.gz URWYUOOOPHAEPL-IUCAKERBSA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)(C)[C@]12CCCC[C@H]1O2 21988454 166380982 /nfs/dbraw/zinc/38/09/82/166380982.db2.gz YMFPKAVXZRTGRZ-SCZZXKLOSA-N 0 0 154.253 2.744 10 30 AFEERN CC(C)(C)[C@H]1CCC(=O)[C@@H](C#N)C1 74304799 166380993 /nfs/dbraw/zinc/38/09/93/166380993.db2.gz URWYUOOOPHAEPL-BDAKNGLRSA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)(C)c1c(O)cccc1C#N 95722664 166380997 /nfs/dbraw/zinc/38/09/97/166380997.db2.gz RQABQRCVXCBJAZ-UHFFFAOYSA-N 0 0 175.231 2.561 10 30 AFEERN CC(C)(C)[C@H]1CCC(O)=C(C=O)C1 143432374 166381245 /nfs/dbraw/zinc/38/12/45/166381245.db2.gz DHQHUIAZXSDYLP-FUOZMLNRSA-N 0 0 182.263 2.844 10 30 AFEERN CC(C)(C)[C@H]1CC[C@@H]2O[C@@H]2C1 22176389 166381373 /nfs/dbraw/zinc/38/13/73/166381373.db2.gz BWERZOKUEPUTTM-XHNCKOQMSA-N 0 0 154.253 2.600 10 30 AFEERN CC(C)(C)c1ccc(NCC#N)cc1 20042546 166382862 /nfs/dbraw/zinc/38/28/62/166382862.db2.gz XBWPJSPYLMCLRY-UHFFFAOYSA-N 0 0 188.274 2.920 10 30 AFEERN CC(C)(C)c1cc(Cl)c(C#N)cn1 77295606 166383115 /nfs/dbraw/zinc/38/31/15/166383115.db2.gz KRIANBMRGUPXTB-UHFFFAOYSA-N 0 0 194.665 2.904 10 30 AFEERN CC(C)(C)c1ccc(O)cc1C#N 95724250 166383789 /nfs/dbraw/zinc/38/37/89/166383789.db2.gz IHRRDQYNBVMYTL-UHFFFAOYSA-N 0 0 175.231 2.561 10 30 AFEERN CC(C)(C)c1ccc(N/C=N/O)cc1 26818755 166384619 /nfs/dbraw/zinc/38/46/19/166384619.db2.gz PDFBPLZTOXIMKS-UHFFFAOYSA-N 0 0 192.262 2.814 10 30 AFEERN CC(C)(C)c1cc(O)cc(C#N)c1 95723645 166384756 /nfs/dbraw/zinc/38/47/56/166384756.db2.gz PBGABFHVFWOCJN-UHFFFAOYSA-N 0 0 175.231 2.561 10 30 AFEERN CC(C)(C)c1ccc(C#CC=O)cc1 75420842 166384965 /nfs/dbraw/zinc/38/49/65/166384965.db2.gz BCEOQKXUNXHLGO-UHFFFAOYSA-N 0 0 186.254 2.535 10 30 AFEERN CC(C)(C)c1cccc(OCC=O)c1 43803767 166385716 /nfs/dbraw/zinc/38/57/16/166385716.db2.gz WVFWUORQOHVZPW-UHFFFAOYSA-N 0 0 192.258 2.562 10 30 AFEERN CC(C)(C)c1ccccc1C#N 5355744 166386245 /nfs/dbraw/zinc/38/62/45/166386245.db2.gz RIDOCOLYIBIAKM-UHFFFAOYSA-N 0 0 159.232 2.856 10 30 AFEERN CC(C)(C)c1cscc1C#N 82403248 166387264 /nfs/dbraw/zinc/38/72/64/166387264.db2.gz LTIDEINRGJLVMW-UHFFFAOYSA-N 0 0 165.261 2.917 10 30 AFEERN CC(C)(C)c1ccccc1OCC=O 11584289 166387444 /nfs/dbraw/zinc/38/74/44/166387444.db2.gz PHZCKISBBKNCJM-UHFFFAOYSA-N 0 0 192.258 2.562 10 30 AFEERN CC(C)(C)c1cccc(O)c1C#N 95722390 166387527 /nfs/dbraw/zinc/38/75/27/166387527.db2.gz RMPBOUJXNGPZIB-UHFFFAOYSA-N 0 0 175.231 2.561 10 30 AFEERN CC(C)(C)c1nc2c(C#N)cccc2[nH]1 76212621 166388798 /nfs/dbraw/zinc/38/87/98/166388798.db2.gz ZHUWQGRCJQBXBL-UHFFFAOYSA-N 0 0 199.257 2.732 10 30 AFEERN CC(C)(C)c1nc2cc(C#N)ccc2[nH]1 76212617 166390436 /nfs/dbraw/zinc/39/04/36/166390436.db2.gz IDZJZPOQIGVHBR-UHFFFAOYSA-N 0 0 199.257 2.732 10 30 AFEERN CC(C)(C)c1oncc1N=[N+]=[N-] 196127886 166390725 /nfs/dbraw/zinc/39/07/25/166390725.db2.gz MDYKWAJBBSNAGJ-UHFFFAOYSA-N 0 0 166.184 2.914 10 30 AFEERN CC(C)(CC=O)[C@@H]1C=CCCC1 75547551 166391122 /nfs/dbraw/zinc/39/11/22/166391122.db2.gz QANNOAHVHVOVRJ-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C=O)Oc1ccc(Cl)cc1 39316744 166391699 /nfs/dbraw/zinc/39/16/99/166391699.db2.gz TZZIYHWRTTUYLM-UHFFFAOYSA-N 0 0 198.649 2.696 10 30 AFEERN CC(C)(CC#N)Oc1ccc(F)cc1 41206177 166391934 /nfs/dbraw/zinc/39/19/34/166391934.db2.gz PWJOVYDJJUJQBY-UHFFFAOYSA-N 0 0 193.221 2.897 10 30 AFEERN CC(C)(C=O)C1(C#N)CCCCC1 75569499 166392110 /nfs/dbraw/zinc/39/21/10/166392110.db2.gz RTRNMVUCVVEQOI-UHFFFAOYSA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)(C=O)C1=CCCCC1 75539744 166392163 /nfs/dbraw/zinc/39/21/63/166392163.db2.gz QTXKXAMXKSVUMV-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)(C=O)CC#Cc1ccccc1 39017921 166392493 /nfs/dbraw/zinc/39/24/93/166392493.db2.gz YBSPFQPNNQOUHZ-UHFFFAOYSA-N 0 0 186.254 2.653 10 30 AFEERN CC(C)(CC#N)Oc1ccccc1F 41206173 166392724 /nfs/dbraw/zinc/39/27/24/166392724.db2.gz KSYKOKOVSICNNX-UHFFFAOYSA-N 0 0 193.221 2.897 10 30 AFEERN CC(C)(CC=O)[C@H]1C=CCCC1 75547550 166392898 /nfs/dbraw/zinc/39/28/98/166392898.db2.gz QANNOAHVHVOVRJ-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(CC#N)Oc1cccc(F)c1 41206175 166392942 /nfs/dbraw/zinc/39/29/42/166392942.db2.gz IOTMOTUDBIRMKF-UHFFFAOYSA-N 0 0 193.221 2.897 10 30 AFEERN CC(C)(CC=O)Cc1ccccc1 34333368 166392979 /nfs/dbraw/zinc/39/29/79/166392979.db2.gz QQKYFJJUNLTZRM-UHFFFAOYSA-N 0 0 176.259 2.844 10 30 AFEERN CC(C)(CC#N)Oc1ccccc1 41199183 166392987 /nfs/dbraw/zinc/39/29/87/166392987.db2.gz XNGFFJCUYBHRTK-UHFFFAOYSA-N 0 0 175.231 2.758 10 30 AFEERN CC(C)=C1CC[C@H](C)C/C1=N/O 100267050 166413803 /nfs/dbraw/zinc/41/38/03/166413803.db2.gz FXBOSCKBLTVABQ-IZXMIOPHSA-N 0 0 167.252 2.973 10 30 AFEERN CC(C)=C1CC[C@H](C)[C@@H](C)C1=O 104838264 166413980 /nfs/dbraw/zinc/41/39/80/166413980.db2.gz ZGWZVNJXOIXFSX-DTWKUNHWSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=CC[C@@H](C)CC=O 34598963 166419658 /nfs/dbraw/zinc/41/96/58/166419658.db2.gz BLDWROQUYLSYEK-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN CC(C)=C[C@@H](C)C(C)(C)C=O 75541846 166421830 /nfs/dbraw/zinc/42/18/30/166421830.db2.gz RWFQAYBLSWWLCR-SECBINFHSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)C(=O)c1cc(F)cc(C#N)c1 72233124 166429029 /nfs/dbraw/zinc/42/90/29/166429029.db2.gz WVBMGYORFGRMRX-UHFFFAOYSA-N 0 0 191.205 2.536 10 30 AFEERN CC(C)C1=CC[C@@H](C)C/C1=N\O 39104159 166429232 /nfs/dbraw/zinc/42/92/32/166429232.db2.gz NKTMRRGTDXWPOK-IRXCETGXSA-N 0 0 167.252 2.829 10 30 AFEERN CC(C)C1=CC(=O)[C@@H](C)CC1 100487140 166429325 /nfs/dbraw/zinc/42/93/25/166429325.db2.gz RLYSXAZAJUMULG-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)C/C=C1\CCCC1=O 38885300 166429495 /nfs/dbraw/zinc/42/94/95/166429495.db2.gz SWDGUJRVKJUCNL-VQHVLOKHSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)C/C=N/[S@](=O)C(C)(C)C 34534442 166429593 /nfs/dbraw/zinc/42/95/93/166429593.db2.gz SURNLDMUXHLWDG-PMDBQALLSA-N 0 0 189.324 2.566 10 30 AFEERN CC(C)C1=CC(=O)[C@H](C)CC1 100487138 166430012 /nfs/dbraw/zinc/43/00/12/166430012.db2.gz RLYSXAZAJUMULG-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)C1=C[C@](C)(C=O)CC1 39062234 166430052 /nfs/dbraw/zinc/43/00/52/166430052.db2.gz KZLAXNQFAQDYDL-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)CC(=O)[C@@H](C#N)CC(C)C 43374828 166434264 /nfs/dbraw/zinc/43/42/64/166434264.db2.gz VOXVSKVNEMPBSA-SNVBAGLBSA-N 0 0 181.279 2.787 10 30 AFEERN CC(C)CCC(=O)/C=C/Cl 37624964 166435466 /nfs/dbraw/zinc/43/54/66/166435466.db2.gz IXRGCEWTALDEDI-AATRIKPKSA-N 0 0 160.644 2.744 10 30 AFEERN CC(C)CCC(=O)[C@H](C#N)C(C)C 41045764 166437065 /nfs/dbraw/zinc/43/70/65/166437065.db2.gz ZGFTTWJFXINZCT-SNVBAGLBSA-N 0 0 181.279 2.787 10 30 AFEERN CC(C)CCCCC#N 2578912 166437693 /nfs/dbraw/zinc/43/76/93/166437693.db2.gz DRHROSXFXTXWKD-UHFFFAOYSA-N 0 0 125.215 2.726 10 30 AFEERN CC(C)CN(C)c1ccccc1C#N 37108705 166457393 /nfs/dbraw/zinc/45/73/93/166457393.db2.gz GPYPTAZTMVJYRQ-UHFFFAOYSA-N 0 0 188.274 2.650 10 30 AFEERN CC(C)CN[C@]1(C#N)CCCC[C@@H]1C 37939116 166473220 /nfs/dbraw/zinc/47/32/20/166473220.db2.gz SSMDGRISOBKBPC-RYUDHWBXSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)CN[C@H](C#N)c1ccsc1 37939103 166473308 /nfs/dbraw/zinc/47/33/08/166473308.db2.gz GTIWCKLVKSOWLT-SNVBAGLBSA-N 0 0 194.303 2.558 10 30 AFEERN CC(C)CN[C@](C)(C#N)C1CCCC1 54081748 166473944 /nfs/dbraw/zinc/47/39/44/166473944.db2.gz FUYMQSQIYUCTMD-GFCCVEGCSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)COC1=CC(=O)C[C@H](C)C1 39119353 166476091 /nfs/dbraw/zinc/47/60/91/166476091.db2.gz GGTCZGKBMCSAGE-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN CC(C)C[C@H](C)CCC#N 75527276 166492271 /nfs/dbraw/zinc/49/22/71/166492271.db2.gz VHTOQNYEKFLXML-SECBINFHSA-N 0 0 139.242 2.972 10 30 AFEERN CC(C)[C@@H](C#N)Nc1ccc(F)cc1 41049458 166565689 /nfs/dbraw/zinc/56/56/89/166565689.db2.gz IVWFWEXWPPTQQH-LLVKDONJSA-N 0 0 192.237 2.786 10 30 AFEERN CC(C)[C@@H](C#N)[C@H](C#N)C(C)C 5761052 166566152 /nfs/dbraw/zinc/56/61/52/166566152.db2.gz YARJDFPTJLOMJC-NXEZZACHSA-N 0 0 164.252 2.578 10 30 AFEERN CC(C)[C@@H](C=O)SC(C)(C)C 75564914 166575644 /nfs/dbraw/zinc/57/56/44/166575644.db2.gz UPJHNKVYTNZLTL-MRVPVSSYSA-N 0 0 174.309 2.742 10 30 AFEERN CCC[C@H](C)Nc1cnccc1C#N 133763600 343926133 /nfs/dbraw/zinc/92/61/33/343926133.db2.gz SQOOGWCFCFXVPK-VIFPVBQESA-N 0 0 189.262 2.554 10 30 AFEERN CC(C)[C@@H]1CC[C@H](CC=O)C1 75541859 166586875 /nfs/dbraw/zinc/58/68/75/166586875.db2.gz JUHMBCBILKMDME-NXEZZACHSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)[C@@H]1CC[C@@H](CC=O)C1 75541864 166587823 /nfs/dbraw/zinc/58/78/23/166587823.db2.gz JUHMBCBILKMDME-VHSXEESVSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)[C@@H]1O[C@@H]1C1=CCCCC1 205065001 166591949 /nfs/dbraw/zinc/59/19/49/166591949.db2.gz CFDUYVBSFZJMEI-WDEREUQCSA-N 0 0 166.264 2.910 10 30 AFEERN CC(C)[C@@H]1O[C@H]1c1ccccc1 19256585 166592836 /nfs/dbraw/zinc/59/28/36/166592836.db2.gz INKUFZPYBDZMOL-QWRGUYRKSA-N 0 0 162.232 2.783 10 30 AFEERN CC(C)[C@@H]1O[C@H]1C1=CCCCC1 205064973 166593894 /nfs/dbraw/zinc/59/38/94/166593894.db2.gz CFDUYVBSFZJMEI-QWRGUYRKSA-N 0 0 166.264 2.910 10 30 AFEERN CC(C)[C@@]12C/C(=N\O)[C@@H](C)[C@@H]1C2 39104214 166595644 /nfs/dbraw/zinc/59/56/44/166595644.db2.gz JAISSOXVVUPELE-XDWYBEELSA-N 0 0 167.252 2.519 10 30 AFEERN CC(C)[C@H](C#N)C(=O)C1CCCCC1 41045722 166597852 /nfs/dbraw/zinc/59/78/52/166597852.db2.gz HMQVVWHHMIUWGA-NSHDSACASA-N 0 0 193.290 2.932 10 30 AFEERN CC(C)[C@H](C=O)Cc1ccccc1 34140138 166603139 /nfs/dbraw/zinc/60/31/39/166603139.db2.gz GDYFTBPYBQUEOT-LBPRGKRZSA-N 0 0 176.259 2.700 10 30 AFEERN CC(C)[C@H]1CC=CC(=O)CC1 36455761 166615007 /nfs/dbraw/zinc/61/50/07/166615007.db2.gz AJIAOAOLKVNRQR-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)[C@H]1CC[C@](C)(C#N)C1 39103063 166616356 /nfs/dbraw/zinc/61/63/56/166616356.db2.gz NNADYLRREIUUGE-UWVGGRQHSA-N 0 0 151.253 2.972 10 30 AFEERN CC(C)[C@H]1CC[C@@](C)(C#N)C1 39103061 166616525 /nfs/dbraw/zinc/61/65/25/166616525.db2.gz NNADYLRREIUUGE-VHSXEESVSA-N 0 0 151.253 2.972 10 30 AFEERN CC(C)[C@H]1CC[C@H](C)C[C@H]1C=O 6037641 166617634 /nfs/dbraw/zinc/61/76/34/166617634.db2.gz AUABNXZOGNPUSY-GARJFASQSA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)[C@H]1O[C@@H]1c1ccccc1 19256583 166621539 /nfs/dbraw/zinc/62/15/39/166621539.db2.gz INKUFZPYBDZMOL-GHMZBOCLSA-N 0 0 162.232 2.783 10 30 AFEERN CC(C)[C@H]1O[C@H]1c1ccccc1 19256587 166621634 /nfs/dbraw/zinc/62/16/34/166621634.db2.gz INKUFZPYBDZMOL-MNOVXSKESA-N 0 0 162.232 2.783 10 30 AFEERN CC(C)[C@]12CC=CC[C@@]1(C)O2 39103164 166624143 /nfs/dbraw/zinc/62/41/43/166624143.db2.gz SRUCEOWYKRJRQG-NXEZZACHSA-N 0 0 152.237 2.520 10 30 AFEERN CC(C)c1ccc([C@@H](C#N)C=O)cc1 37354656 166631580 /nfs/dbraw/zinc/63/15/80/166631580.db2.gz ULXMKVLCBPKBDL-LBPRGKRZSA-N 0 0 187.242 2.616 10 30 AFEERN CC(C)c1ccc(OCCC=O)cc1 11569662 166632993 /nfs/dbraw/zinc/63/29/93/166632993.db2.gz PZKRQQHJRACTKN-UHFFFAOYSA-N 0 0 192.258 2.778 10 30 AFEERN CC(C)c1ccc2c(c1)[C@@H](C#N)CN2 71486923 166634056 /nfs/dbraw/zinc/63/40/56/166634056.db2.gz AUJSUMVSJMIPMO-JTQLQIEISA-N 0 0 186.258 2.843 10 30 AFEERN CC(C)c1ccc([N+](=O)[O-])cc1C#N 71624816 166634249 /nfs/dbraw/zinc/63/42/49/166634249.db2.gz JPEAQTSQLWTXNA-UHFFFAOYSA-N 0 0 190.202 2.590 10 30 AFEERN CC(C)c1cccc2c1C[C@@H]1O[C@H]21 39104729 166635314 /nfs/dbraw/zinc/63/53/14/166635314.db2.gz CXUXDHFEPQOXTL-NWDGAFQWSA-N 0 0 174.243 2.806 10 30 AFEERN CC(C)c1cscc1C#N 82407909 166637288 /nfs/dbraw/zinc/63/72/88/166637288.db2.gz DAGSSFZNPCTFQU-UHFFFAOYSA-N 0 0 151.234 2.743 10 30 AFEERN CC(C)c1ncc(CS)s1 82689023 166642953 /nfs/dbraw/zinc/64/29/53/166642953.db2.gz LAKFXAGMWRRVCN-UHFFFAOYSA-N 0 0 173.306 2.696 10 30 AFEERN CC1(C)C=CC(=O)c2ccccc21 1695564 166666830 /nfs/dbraw/zinc/66/68/30/166666830.db2.gz LVCLGJPQSZTOBT-UHFFFAOYSA-N 0 0 172.227 2.717 10 30 AFEERN CC1(C)CCC[C@@](C)(C=O)C1 39062686 166675919 /nfs/dbraw/zinc/67/59/19/166675919.db2.gz KLGVMAOTGZZWMM-SNVBAGLBSA-N 0 0 154.253 2.792 10 30 AFEERN CC1(C)CC[C@@H](n2cc(C#N)cn2)C1 335304189 166678144 /nfs/dbraw/zinc/67/81/44/166678144.db2.gz WWCZVMSGFSKWPY-SNVBAGLBSA-N 0 0 189.262 2.506 10 30 AFEERN CC1(C)C[C@]1(C#N)c1ccccc1 76598696 166691051 /nfs/dbraw/zinc/69/10/51/166691051.db2.gz ZRJXCOVHFOLZDE-LBPRGKRZSA-N 0 0 171.243 2.878 10 30 AFEERN CC1(C)C[C@H]1Nc1ccccc1C#N 44368057 166692098 /nfs/dbraw/zinc/69/20/98/166692098.db2.gz QNNANMJQMVFYNO-LLVKDONJSA-N 0 0 186.258 2.769 10 30 AFEERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C=O)C2 39253822 166700466 /nfs/dbraw/zinc/70/04/66/166700466.db2.gz XKOGXRMDXIYVDT-YWVKMMECSA-N 0 0 166.264 2.648 10 30 AFEERN CC1(CC=O)CCCCC1 75527977 166703930 /nfs/dbraw/zinc/70/39/30/166703930.db2.gz CIBFGOMHDWTDNS-UHFFFAOYSA-N 0 0 140.226 2.546 10 30 AFEERN CC1=C(C(C)C)CCCC1=O 39103143 166713729 /nfs/dbraw/zinc/71/37/29/166713729.db2.gz CLALNKFYLVVKCY-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC1=CC(C)(C)[C@@H]([C@@H](C)C=O)C1 38415973 166720822 /nfs/dbraw/zinc/72/08/22/166720822.db2.gz XVFXQGLNLQFBTI-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN CC1=CC(C)(C)[C@@H](C=O)CC1 5766853 166720952 /nfs/dbraw/zinc/72/09/52/166720952.db2.gz FDSNFOIVNIUNDP-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CCC[C@@H](C(C)C)C1=O 39103140 166721315 /nfs/dbraw/zinc/72/13/15/166721315.db2.gz MBNAGVOSEVPAAO-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CCC[C@H](C(C)C)C1=O 39103139 166721512 /nfs/dbraw/zinc/72/15/12/166721512.db2.gz MBNAGVOSEVPAAO-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CCCC(C)(C)[C@@H]1CC=O 5766952 166722213 /nfs/dbraw/zinc/72/22/13/166722213.db2.gz YJKGMUJSGUUUJU-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CCCC(C)(C)[C@]1(C)C=O 75554855 166722687 /nfs/dbraw/zinc/72/26/87/166722687.db2.gz XADRQJCKXFKAFM-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC[C@@H]([C@H](C)C=O)CC1 32152212 166725950 /nfs/dbraw/zinc/72/59/50/166725950.db2.gz UMEJBWOWZDRULR-NXEZZACHSA-N 0 0 152.237 2.568 10 30 in-man AFEERN CC1=CC[C@@H](C)C(C)(C)[C@H]1C=O 14764694 166726007 /nfs/dbraw/zinc/72/60/07/166726007.db2.gz BTFBPMQRSSBITM-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN CC1=CC[C@@H](C(C)C)C/C1=N/O 100267219 166726029 /nfs/dbraw/zinc/72/60/29/166726029.db2.gz WEHKIEYKMLAEDU-ZAGORRGESA-N 0 0 167.252 2.829 10 30 AFEERN CC1=C[C@@H](C=O)CC(C)(C)C1 33607955 166730906 /nfs/dbraw/zinc/73/09/06/166730906.db2.gz YONAHFYUNJWCOX-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=C[C@H](C=O)CC(C)(C)C1 33607956 166732026 /nfs/dbraw/zinc/73/20/26/166732026.db2.gz YONAHFYUNJWCOX-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CC1CCC(CC#N)CC1 39184576 166743914 /nfs/dbraw/zinc/74/39/14/166743914.db2.gz CJERZJOXVLRLIS-UHFFFAOYSA-N 0 0 137.226 2.726 10 30 AFEERN CC1CCC(C#N)(N2CCCC2)CC1 19935191 166745175 /nfs/dbraw/zinc/74/51/75/166745175.db2.gz AUODDPLGLAQVBN-UHFFFAOYSA-N 0 0 192.306 2.555 10 30 AFEERN CCC(=O)CC1(C#N)CCCCC1 39647965 166755470 /nfs/dbraw/zinc/75/54/70/166755470.db2.gz IALXWRDAUYAIBZ-UHFFFAOYSA-N 0 0 179.263 2.830 10 30 AFEERN CCC(=O)/C(C)=C/c1ccco1 295025 166756891 /nfs/dbraw/zinc/75/68/91/166756891.db2.gz AXNYRBWFRKSWHJ-BQYQJAHWSA-N 0 0 164.204 2.662 10 30 AFEERN CCC(=O)c1ccc(CC)c(C#N)c1 32007982 166776394 /nfs/dbraw/zinc/77/63/94/166776394.db2.gz PAZFWIKNLYBUKE-UHFFFAOYSA-N 0 0 187.242 2.713 10 30 AFEERN CCC(C)(C)C[C@]1(C)O[C@@H]1C 38171507 166782093 /nfs/dbraw/zinc/78/20/93/166782093.db2.gz NAXYTJIPVBENDF-SCZZXKLOSA-N 0 0 156.269 2.990 10 30 AFEERN CCC(C)(C)Oc1ccc(C#N)cn1 20514172 166784316 /nfs/dbraw/zinc/78/43/16/166784316.db2.gz WVPYUWNEUWQSTN-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN CCC(C)(C)OCCCCC#N 49579562 166784586 /nfs/dbraw/zinc/78/45/86/166784586.db2.gz FUBUCIWRXIDYEK-UHFFFAOYSA-N 0 0 169.268 2.885 10 30 AFEERN CCC(C)(CC)[C@@H](C)C=O 75528929 166787067 /nfs/dbraw/zinc/78/70/67/166787067.db2.gz NVPGJIUHGVYMCC-QMMMGPOBSA-N 0 0 142.242 2.648 10 30 AFEERN CCC(C)(C)[C@@H]1CC[C@@H]2O[C@@H]2C1 22223614 166787314 /nfs/dbraw/zinc/78/73/14/166787314.db2.gz MYCXMTSERDWHNH-KXUCPTDWSA-N 0 0 168.280 2.990 10 30 AFEERN CCC(C)(CC)[C@H](C)C=O 75528932 166787717 /nfs/dbraw/zinc/78/77/17/166787717.db2.gz NVPGJIUHGVYMCC-MRVPVSSYSA-N 0 0 142.242 2.648 10 30 AFEERN CCC(CC)C(=O)[C@@H](C#N)C(C)C 41045749 166788304 /nfs/dbraw/zinc/78/83/04/166788304.db2.gz FHWRALLYECNKIV-JTQLQIEISA-N 0 0 181.279 2.787 10 30 AFEERN CCC(CC)C(=O)[C@@H](C)CC#N 51690434 166789513 /nfs/dbraw/zinc/78/95/13/166789513.db2.gz MRAZTYLEDSDADJ-QMMMGPOBSA-N 0 0 167.252 2.541 10 30 AFEERN CCC(CC)C(=O)C[C@H](C)C#N 51690445 166789955 /nfs/dbraw/zinc/78/99/55/166789955.db2.gz VORIFUIGGGLJMX-QMMMGPOBSA-N 0 0 167.252 2.541 10 30 AFEERN CCC1(CC=O)CCCCC1 39091014 166807503 /nfs/dbraw/zinc/80/75/03/166807503.db2.gz RFRAKNJMBBTUHQ-UHFFFAOYSA-N 0 0 154.253 2.936 10 30 AFEERN CCC1CCC(C#N)(NC2CC2)CC1 36924885 166813632 /nfs/dbraw/zinc/81/36/32/166813632.db2.gz PZOHUDLHIDIRFN-UHFFFAOYSA-N 0 0 192.306 2.601 10 30 AFEERN CCCC(C)(C=O)CCC 39250535 166834867 /nfs/dbraw/zinc/83/48/67/166834867.db2.gz YGCRJBDYSJVBFI-UHFFFAOYSA-N 0 0 142.242 2.792 10 30 AFEERN CCCC1CCC(N[C@@H](C)C#N)CC1 43515524 166839588 /nfs/dbraw/zinc/83/95/88/166839588.db2.gz CSLAQWNOVVIRBB-UNXYVOJBSA-N 0 0 194.322 2.847 10 30 AFEERN CCCCC#C[C@@H]1CCCCO1 5308144 166841790 /nfs/dbraw/zinc/84/17/90/166841790.db2.gz YNHZOEPTJVAETG-LLVKDONJSA-N 0 0 166.264 2.749 10 30 AFEERN CCCCC(=O)c1ccc(C#N)cc1 5819915 166844274 /nfs/dbraw/zinc/84/42/74/166844274.db2.gz SNDVNNGWNNDYHH-UHFFFAOYSA-N 0 0 187.242 2.931 10 30 AFEERN CCCCC(=O)[C@H](C#N)C(C)C 41045746 166844629 /nfs/dbraw/zinc/84/46/29/166844629.db2.gz YMJIZGBHICDXOE-SECBINFHSA-N 0 0 167.252 2.541 10 30 AFEERN CCCCC(CCC)=NO 255003809 166845606 /nfs/dbraw/zinc/84/56/06/166845606.db2.gz AKLMPECUKBNPII-UHFFFAOYSA-N 0 0 143.230 2.807 10 30 AFEERN CCCCC/C=C\C(C)=O 13547256 166846635 /nfs/dbraw/zinc/84/66/35/166846635.db2.gz HDKLIZDXVUCLHQ-FPLPWBNLSA-N 0 0 140.226 2.712 10 30 endogenous,in-man AFEERN CCCCC1=C(Cl)C(=O)C1 39125450 166847231 /nfs/dbraw/zinc/84/72/31/166847231.db2.gz DOAMFMHAHPYKEZ-UHFFFAOYSA-N 0 0 158.628 2.642 10 30 AFEERN CCCCCC(=O)[C@@H](C#N)C(C)C 41045775 166849119 /nfs/dbraw/zinc/84/91/19/166849119.db2.gz XDIUGPUWYFYBMZ-JTQLQIEISA-N 0 0 181.279 2.932 10 30 AFEERN CCCCCCCOCC 85508013 166850515 /nfs/dbraw/zinc/85/05/15/166850515.db2.gz UTBWZYCUAYXAKT-UHFFFAOYSA-N 0 0 144.258 2.993 10 30 biogenic,in-vitro AFEERN CCCCCCCCO[N+](=O)[O-] 1850954 166851269 /nfs/dbraw/zinc/85/12/69/166851269.db2.gz TXQBMQNFXYOIPT-UHFFFAOYSA-N 0 0 175.228 2.555 10 30 AFEERN CCCCCCC[C@@H](C)NC(C)=O 105406087 166851337 /nfs/dbraw/zinc/85/13/37/166851337.db2.gz LSPANCZXVXNZEA-SNVBAGLBSA-N 0 0 185.311 2.872 10 30 AFEERN CCCCCCCN1C=CN(C)C1 100293752 166851338 /nfs/dbraw/zinc/85/13/38/166851338.db2.gz UXASSLBGWQQHRC-UHFFFAOYSA-N 0 0 182.311 2.633 10 30 AFEERN CCCCCCCN(C)N=O 43427276 166851402 /nfs/dbraw/zinc/85/14/02/166851402.db2.gz REAKWIQVJUHNOX-UHFFFAOYSA-N 0 0 158.245 2.570 10 30 AFEERN CCCCCCO[C@H](C#N)CC 43557240 166855745 /nfs/dbraw/zinc/85/57/45/166855745.db2.gz BZJXTJBPVUMARO-JTQLQIEISA-N 0 0 169.268 2.885 10 30 AFEERN CCCCCCO[C@@H](C#N)CC 43557242 166855991 /nfs/dbraw/zinc/85/59/91/166855991.db2.gz BZJXTJBPVUMARO-SNVBAGLBSA-N 0 0 169.268 2.885 10 30 AFEERN CCCCCC[C@H](C)OCC=O 43803741 166857277 /nfs/dbraw/zinc/85/72/77/166857277.db2.gz YRXAVWPHZCTBOS-JTQLQIEISA-N 0 0 172.268 2.561 10 30 AFEERN CCCCC[C@H](C#N)NC1CCCC1 37968359 166872807 /nfs/dbraw/zinc/87/28/07/166872807.db2.gz VKGQSFDKITXTIM-GFCCVEGCSA-N 0 0 194.322 2.991 10 30 AFEERN CCCCN(C)c1ccccc1C#N 20076909 166880265 /nfs/dbraw/zinc/88/02/65/166880265.db2.gz YUGRTEUESDKOFJ-UHFFFAOYSA-N 0 0 188.274 2.795 10 30 AFEERN CCCCOCc1ccc(C#N)cc1 37093577 166907549 /nfs/dbraw/zinc/90/75/49/166907549.db2.gz CJTKPSRYDGQJRY-UHFFFAOYSA-N 0 0 189.258 2.875 10 30 AFEERN CCCCS[C@@H](C#N)CC 43557666 166912671 /nfs/dbraw/zinc/91/26/71/166912671.db2.gz DWUIONKHXBOUFA-MRVPVSSYSA-N 0 0 157.282 2.822 10 30 AFEERN CCCCSc1ncccc1C#N 35152570 166912967 /nfs/dbraw/zinc/91/29/67/166912967.db2.gz WGQJLCCMIWHXBV-UHFFFAOYSA-N 0 0 192.287 2.845 10 30 AFEERN CCCCSC#CC(F)F 7262004 166913316 /nfs/dbraw/zinc/91/33/16/166913316.db2.gz SKTOHJFFDCHECY-UHFFFAOYSA-N 0 0 164.220 2.746 10 30 AFEERN CCCC[C@@H](C=O)C(C)C 75528924 166915207 /nfs/dbraw/zinc/91/52/07/166915207.db2.gz OGDMZPMAVHIUPM-VIFPVBQESA-N 0 0 142.242 2.648 10 30 AFEERN CCCC[C@H](C)/C(C)=N/O 261506852 166921157 /nfs/dbraw/zinc/92/11/57/166921157.db2.gz BOUIIDFYMUEBIK-MXMZYCHESA-N 0 0 143.230 2.663 10 30 AFEERN CCCC[C@@]1(C#N)CCCC[C@@H]1O 75575772 166923320 /nfs/dbraw/zinc/92/33/20/166923320.db2.gz YLEPMLTYWWCGBK-QWRGUYRKSA-N 0 0 181.279 2.621 10 30 AFEERN CCCC[C@H]1O[C@@H]1CCC 39131982 166928252 /nfs/dbraw/zinc/92/82/52/166928252.db2.gz IKNXPNNMKVOEMV-RKDXNWHRSA-N 0 0 142.242 2.744 10 30 AFEERN CCCC[C@]1(C#N)CCCC[C@H]1O 75575773 166928659 /nfs/dbraw/zinc/92/86/59/166928659.db2.gz YLEPMLTYWWCGBK-GHMZBOCLSA-N 0 0 181.279 2.621 10 30 AFEERN CCCC[C@H]1O[C@H]1CCC 39131979 166929239 /nfs/dbraw/zinc/92/92/39/166929239.db2.gz IKNXPNNMKVOEMV-DTWKUNHWSA-N 0 0 142.242 2.744 10 30 AFEERN CCCN(CCC#N)c1ccccc1 19485106 166950118 /nfs/dbraw/zinc/95/01/18/166950118.db2.gz GBDVNZXJOKTXFX-UHFFFAOYSA-N 0 0 188.274 2.817 10 30 AFEERN CCCN[C@H](C#N)c1cccc(C)c1 19987566 166997908 /nfs/dbraw/zinc/99/79/08/166997908.db2.gz OIEXLSSRHPTYFI-GFCCVEGCSA-N 0 0 188.274 2.559 10 30 AFEERN CCCN[C@H](C#N)c1sccc1C 41673260 166999123 /nfs/dbraw/zinc/99/91/23/166999123.db2.gz PIHPHNSQVMTNSW-SECBINFHSA-N 0 0 194.303 2.621 10 30 AFEERN CCCN[C@H](C#N)c1ccc(C)s1 41675138 166999186 /nfs/dbraw/zinc/99/91/86/166999186.db2.gz JJECOWRCNJVYRK-SECBINFHSA-N 0 0 194.303 2.621 10 30 AFEERN CCCNc1ccc(F)c(C#N)c1 51635553 167004819 /nfs/dbraw/zinc/00/48/19/167004819.db2.gz VVNYMKSOACXGIF-UHFFFAOYSA-N 0 0 178.210 2.519 10 30 AFEERN CCCNc1ccc(CC#N)cc1 37071532 167005184 /nfs/dbraw/zinc/00/51/84/167005184.db2.gz PCTBJDRIMLJTDL-UHFFFAOYSA-N 0 0 174.247 2.575 10 30 AFEERN CCCNc1cc(C#N)ccc1C 50429559 167005388 /nfs/dbraw/zinc/00/53/88/167005388.db2.gz MPJJULBPPZGAEU-UHFFFAOYSA-N 0 0 174.247 2.689 10 30 AFEERN CCCNc1ccc(C#N)cc1C 37996166 167005560 /nfs/dbraw/zinc/00/55/60/167005560.db2.gz QHGGSTPUZJZXOE-UHFFFAOYSA-N 0 0 174.247 2.689 10 30 AFEERN CCCNc1ccc(C#N)cc1F 37412513 167005898 /nfs/dbraw/zinc/00/58/98/167005898.db2.gz JUMQWVAFVWHHIH-UHFFFAOYSA-N 0 0 178.210 2.519 10 30 AFEERN CCCNc1cc(C)ccc1C#N 51578609 167006295 /nfs/dbraw/zinc/00/62/95/167006295.db2.gz LHMAMECTYXKJDB-UHFFFAOYSA-N 0 0 174.247 2.689 10 30 AFEERN CCCNc1cc(C#N)cc(F)c1C 37089374 167006384 /nfs/dbraw/zinc/00/63/84/167006384.db2.gz RVJZGWBWWKDZDP-UHFFFAOYSA-N 0 0 192.237 2.828 10 30 AFEERN CCCNc1cccc(F)c1C#N 35134941 167007118 /nfs/dbraw/zinc/00/71/18/167007118.db2.gz NNXWUPXSJSCLBZ-UHFFFAOYSA-N 0 0 178.210 2.519 10 30 AFEERN CCCNc1sc(C)cc1C#N 83340517 167008605 /nfs/dbraw/zinc/00/86/05/167008605.db2.gz MCVYUETVZLPQSN-UHFFFAOYSA-N 0 0 180.276 2.750 10 30 AFEERN CCCOc1cc(C)c(C#N)c(C)c1 71456975 167016588 /nfs/dbraw/zinc/01/65/88/167016588.db2.gz YCDWIFIXBBZVKP-UHFFFAOYSA-N 0 0 189.258 2.964 10 30 AFEERN CCCOc1cc(C)ccc1C#N 51598448 167017485 /nfs/dbraw/zinc/01/74/85/167017485.db2.gz DKCXANZZAJXBEO-UHFFFAOYSA-N 0 0 175.231 2.656 10 30 AFEERN CCCOc1cc(C)c(C)cc1C#N 36201297 167017593 /nfs/dbraw/zinc/01/75/93/167017593.db2.gz CZXKXSQRABBWTC-UHFFFAOYSA-N 0 0 189.258 2.964 10 30 AFEERN CCCOc1cc(C)c(C#N)cc1C 36200314 167017612 /nfs/dbraw/zinc/01/76/12/167017612.db2.gz BIGPKGJGRQYPIG-UHFFFAOYSA-N 0 0 189.258 2.964 10 30 AFEERN CCCOc1ccc(C(C)=NO)cc1 263626279 167019077 /nfs/dbraw/zinc/01/90/77/167019077.db2.gz YKWQJIJVMOLTFK-UHFFFAOYSA-N 0 0 193.246 2.674 10 30 AFEERN CCCOc1ccc(CC#N)cc1 19426428 167019094 /nfs/dbraw/zinc/01/90/94/167019094.db2.gz GHTRHWRFHUGGOI-UHFFFAOYSA-N 0 0 175.231 2.541 10 30 AFEERN CCCOc1ccc(C)cc1C#N 36195390 167019124 /nfs/dbraw/zinc/01/91/24/167019124.db2.gz OOUKEKCZLOAMQY-UHFFFAOYSA-N 0 0 175.231 2.656 10 30 AFEERN CCCOc1ccc(C#N)c(C)c1C 71456578 167019170 /nfs/dbraw/zinc/01/91/70/167019170.db2.gz OHJOGROEJWAOIL-UHFFFAOYSA-N 0 0 189.258 2.964 10 30 AFEERN CCCOc1ccc(CS)cc1 39212277 167019227 /nfs/dbraw/zinc/01/92/27/167019227.db2.gz MPCDXGHPOBTLQD-UHFFFAOYSA-N 0 0 182.288 2.905 10 30 AFEERN CCCOc1ccc(/C(C)=N/O)cc1 19504259 167019774 /nfs/dbraw/zinc/01/97/74/167019774.db2.gz YKWQJIJVMOLTFK-FMIVXFBMSA-N 0 0 193.246 2.674 10 30 in-vitro AFEERN CCCOc1cccc(/C(C)=N/O)c1 19433347 167019959 /nfs/dbraw/zinc/01/99/59/167019959.db2.gz ZPDUBJCNSMVSIV-FMIVXFBMSA-N 0 0 193.246 2.674 10 30 AFEERN CCCOc1ccccc1/C(C)=N/O 19434793 167021456 /nfs/dbraw/zinc/02/14/56/167021456.db2.gz ZDJBKXCRNOEWCW-FMIVXFBMSA-N 0 0 193.246 2.674 10 30 AFEERN CCCSc1ccc(C#N)cc1N 35675173 167023922 /nfs/dbraw/zinc/02/39/22/167023922.db2.gz XORXBFXYNNANEZ-UHFFFAOYSA-N 0 0 192.287 2.643 10 30 AFEERN CCCSc1ccc(N)cc1C#N 41021758 167023955 /nfs/dbraw/zinc/02/39/55/167023955.db2.gz JMZSEQJIMDCERM-UHFFFAOYSA-N 0 0 192.287 2.643 10 30 AFEERN CCCSCC1CC(C#N)C1 145732054 167024009 /nfs/dbraw/zinc/02/40/09/167024009.db2.gz OXXUKXODBWCFRN-UHFFFAOYSA-N 0 0 169.293 2.679 10 30 AFEERN CCCSCCCCC#N 49579602 167024344 /nfs/dbraw/zinc/02/43/44/167024344.db2.gz CDEHNXVMSCERHO-UHFFFAOYSA-N 0 0 157.282 2.823 10 30 AFEERN CCCS[C@H]1CCC[C@H]1C#N 37156149 167024349 /nfs/dbraw/zinc/02/43/49/167024349.db2.gz ITXCJQHSGNDNGZ-IUCAKERBSA-N 0 0 169.293 2.822 10 30 AFEERN CCCS[C@H]1CCC[C@@H]1C#N 37156145 167024359 /nfs/dbraw/zinc/02/43/59/167024359.db2.gz ITXCJQHSGNDNGZ-BDAKNGLRSA-N 0 0 169.293 2.822 10 30 AFEERN CCCS[C@@H]1CCC[C@H]1C#N 37156147 167024371 /nfs/dbraw/zinc/02/43/71/167024371.db2.gz ITXCJQHSGNDNGZ-DTWKUNHWSA-N 0 0 169.293 2.822 10 30 AFEERN CCCS[C@@H]1CCC[C@@H]1C#N 37156143 167024794 /nfs/dbraw/zinc/02/47/94/167024794.db2.gz ITXCJQHSGNDNGZ-RKDXNWHRSA-N 0 0 169.293 2.822 10 30 AFEERN CCCS[C@H](CC)CC#N 36679652 167024897 /nfs/dbraw/zinc/02/48/97/167024897.db2.gz XPFJCSSHWGVXNY-MRVPVSSYSA-N 0 0 157.282 2.822 10 30 AFEERN CCCS[C@@H](CC)CC#N 36679651 167024935 /nfs/dbraw/zinc/02/49/35/167024935.db2.gz XPFJCSSHWGVXNY-QMMMGPOBSA-N 0 0 157.282 2.822 10 30 AFEERN CCC[C@@H](C#N)Nc1ccccc1 37935375 167025485 /nfs/dbraw/zinc/02/54/85/167025485.db2.gz GGIARLBVIXZHNM-NSHDSACASA-N 0 0 174.247 2.791 10 30 AFEERN CCC[C@@H](C#N)N1CCCCCC1 38086279 167025506 /nfs/dbraw/zinc/02/55/06/167025506.db2.gz CJNNSOZCTDPBNG-NSHDSACASA-N 0 0 180.295 2.555 10 30 AFEERN CCC[C@@H](C#N)NC1CCCCC1 37969465 167025920 /nfs/dbraw/zinc/02/59/20/167025920.db2.gz JUKPQWMNPJKRPR-NSHDSACASA-N 0 0 180.295 2.601 10 30 AFEERN CCC[C@@H](C#N)Nc1ccccc1F 37938995 167026059 /nfs/dbraw/zinc/02/60/59/167026059.db2.gz YXKWTYHHMBKLCJ-VIFPVBQESA-N 0 0 192.237 2.930 10 30 AFEERN CCC[C@@H](C#N)Nc1ccc(F)cc1 37935884 167026277 /nfs/dbraw/zinc/02/62/77/167026277.db2.gz SWQMVEAHMNHGEY-NSHDSACASA-N 0 0 192.237 2.930 10 30 AFEERN CCC[C@@H](C#N)[C@H](O)c1ccccc1 75579330 167026281 /nfs/dbraw/zinc/02/62/81/167026281.db2.gz CMJFIJJHWGTYFM-NWDGAFQWSA-N 0 0 189.258 2.660 10 30 AFEERN CCC[C@@H](C#N)NC1CCCCCC1 37970258 167026582 /nfs/dbraw/zinc/02/65/82/167026582.db2.gz PCRIUQBQZLPAPX-LBPRGKRZSA-N 0 0 194.322 2.991 10 30 AFEERN CCC[C@@H](C#N)[C@@H](O)c1ccccc1 75579333 167026737 /nfs/dbraw/zinc/02/67/37/167026737.db2.gz CMJFIJJHWGTYFM-RYUDHWBXSA-N 0 0 189.258 2.660 10 30 AFEERN CCC[C@@H](C)/C=C/C(C)=O 44709803 167026841 /nfs/dbraw/zinc/02/68/41/167026841.db2.gz NECROWMNPAXETR-HYDMIIDASA-N 0 0 140.226 2.568 10 30 AFEERN CCCSc1nccc(C)c1C#N 33732043 167027445 /nfs/dbraw/zinc/02/74/45/167027445.db2.gz YUDWCTVCBPHMMN-UHFFFAOYSA-N 0 0 192.287 2.764 10 30 AFEERN CCC[C@@H](C#N)C(C)C 39244997 167027645 /nfs/dbraw/zinc/02/76/45/167027645.db2.gz SEMAIQRIDIHYEZ-QMMMGPOBSA-N 0 0 125.215 2.582 10 30 AFEERN CCCSc1nc(C)ccc1C#N 43400800 167027847 /nfs/dbraw/zinc/02/78/47/167027847.db2.gz QLWJKLPZSJPMFS-UHFFFAOYSA-N 0 0 192.287 2.764 10 30 AFEERN CCC[C@@H](C#N)Nc1cccc(F)c1 37937093 167027855 /nfs/dbraw/zinc/02/78/55/167027855.db2.gz RIQNPDFFBSPPKS-NSHDSACASA-N 0 0 192.237 2.930 10 30 AFEERN CCC[C@@H](C)CN(CC#N)CCC 51320475 167029122 /nfs/dbraw/zinc/02/91/22/167029122.db2.gz OAIIVZJDANAWCK-LLVKDONJSA-N 0 0 182.311 2.658 10 30 AFEERN CCC[C@@H](C)CCC#N 2578910 167029343 /nfs/dbraw/zinc/02/93/43/167029343.db2.gz GPMVVCVSEPZSRE-MRVPVSSYSA-N 0 0 125.215 2.726 10 30 AFEERN CCC[C@@H](C)C(=O)[C@H](C#N)C(C)C 41045761 167030034 /nfs/dbraw/zinc/03/00/34/167030034.db2.gz MVBCWIOFMDDXLL-NXEZZACHSA-N 0 0 181.279 2.787 10 30 AFEERN CCC[C@@H](C)C(=O)[C@@H](C#N)C(C)C 41045759 167030384 /nfs/dbraw/zinc/03/03/84/167030384.db2.gz MVBCWIOFMDDXLL-ZJUUUORDSA-N 0 0 181.279 2.787 10 30 AFEERN CCC[C@@H](C)[C@@H](C#N)N(CC)CC 49954319 167035300 /nfs/dbraw/zinc/03/53/00/167035300.db2.gz UEWCVZRYSUGBLN-GHMZBOCLSA-N 0 0 182.311 2.657 10 30 AFEERN CCC[C@@H](C)[C@@H](C#N)N1CCCCC1 49954327 167035635 /nfs/dbraw/zinc/03/56/35/167035635.db2.gz ULYWBGKWIXUNKL-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@@H](C)[C@@H](C#N)N[C@@H](C)CC 49953634 167035689 /nfs/dbraw/zinc/03/56/89/167035689.db2.gz XVVOPSAKSYDDPS-OUAUKWLOSA-N 0 0 182.311 2.703 10 30 AFEERN CCC[C@@H](C)[C@@H](C#N)NC1CCCC1 49953602 167036548 /nfs/dbraw/zinc/03/65/48/167036548.db2.gz IEAHIPAXQLYTJZ-ZYHUDNBSSA-N 0 0 194.322 2.847 10 30 AFEERN CCC[C@@H](C)[C@@H](C#N)NCC(C)C 49953446 167037045 /nfs/dbraw/zinc/03/70/45/167037045.db2.gz NNKKLRZQJKVTHB-GHMZBOCLSA-N 0 0 182.311 2.560 10 30 AFEERN CCC[C@@H](C)[C@H](C#N)NCC(C)C 49953448 167037684 /nfs/dbraw/zinc/03/76/84/167037684.db2.gz NNKKLRZQJKVTHB-MNOVXSKESA-N 0 0 182.311 2.560 10 30 AFEERN CCC[C@@H](C)[C@H](C#N)NC1CCCC1 49953604 167039131 /nfs/dbraw/zinc/03/91/31/167039131.db2.gz IEAHIPAXQLYTJZ-PWSUYJOCSA-N 0 0 194.322 2.847 10 30 AFEERN CCC[C@@H](C)[C@H](C#N)N(CC)CC 49954321 167039501 /nfs/dbraw/zinc/03/95/01/167039501.db2.gz UEWCVZRYSUGBLN-MNOVXSKESA-N 0 0 182.311 2.657 10 30 AFEERN CCC[C@@H](C)[C@H](C#N)N[C@@H](C)CC 49953636 167039582 /nfs/dbraw/zinc/03/95/82/167039582.db2.gz XVVOPSAKSYDDPS-VWYCJHECSA-N 0 0 182.311 2.703 10 30 AFEERN CCC[C@@H](C)[C@H](C#N)N1CCCCC1 49954329 167039849 /nfs/dbraw/zinc/03/98/49/167039849.db2.gz ULYWBGKWIXUNKL-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@@H](CC=O)C(C)C 75528907 167040830 /nfs/dbraw/zinc/04/08/30/167040830.db2.gz QPVMXURNIRGWLB-VIFPVBQESA-N 0 0 142.242 2.648 10 30 AFEERN CCC[C@@H](NCC#N)c1cccs1 49544855 167048676 /nfs/dbraw/zinc/04/86/76/167048676.db2.gz KHMJUNHFEZJCQJ-SECBINFHSA-N 0 0 194.303 2.702 10 30 AFEERN CCC[C@@H]1C=CC2=C(CCCC2=O)O1 26897642 167052858 /nfs/dbraw/zinc/05/28/58/167052858.db2.gz XAHMZLCWLWMPGH-SECBINFHSA-N 0 0 192.258 2.749 10 30 AFEERN CCC[C@@H]1CC(=O)C[C@@](C)(C#N)C1 104841071 167052966 /nfs/dbraw/zinc/05/29/66/167052966.db2.gz NQIOIUUNGTZMDF-KOLCDFICSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@@H]1CC(C)=C/C1=N/O 100274776 167052977 /nfs/dbraw/zinc/05/29/77/167052977.db2.gz NTEYOJGGIBZPSA-SREPSJJZSA-N 0 0 153.225 2.583 10 30 AFEERN CCC[C@@H]1CCC[C@H]2CC[C@H](C#N)[N@@H+]21 255966595 167053846 /nfs/dbraw/zinc/05/38/46/167053846.db2.gz CFFLJMIWAWBLSD-GRYCIOLGSA-N 0 0 192.306 2.696 10 30 AFEERN CCC[C@@H]1CC(=O)C[C@](C)(C#N)C1 104841078 167054484 /nfs/dbraw/zinc/05/44/84/167054484.db2.gz NQIOIUUNGTZMDF-MWLCHTKSSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@@](C)(C#N)NC1CCCCC1 37969475 167054966 /nfs/dbraw/zinc/05/49/66/167054966.db2.gz BBZCLVPNYSZHRR-LBPRGKRZSA-N 0 0 194.322 2.991 10 30 AFEERN CCC[C@@](C#N)(CC)CC(=O)OCC 21988617 167055361 /nfs/dbraw/zinc/05/53/61/167055361.db2.gz OZEGRZFNNLLFEF-NSHDSACASA-N 0 0 197.278 2.660 10 30 AFEERN CCC[C@@](C)(C#N)NC1CCCC1 37968514 167055401 /nfs/dbraw/zinc/05/54/01/167055401.db2.gz XYHGWYUGPSOWLO-NSHDSACASA-N 0 0 180.295 2.601 10 30 AFEERN CCC[C@@](C)(C#N)N1CCCCCC1 38086080 167055704 /nfs/dbraw/zinc/05/57/04/167055704.db2.gz RUNBEHDVWKGOBP-LBPRGKRZSA-N 0 0 194.322 2.945 10 30 AFEERN CCC[C@@](C)(C#N)N1CCCCC1 37356843 167056400 /nfs/dbraw/zinc/05/64/00/167056400.db2.gz QHQOPVUGZPKXOG-NSHDSACASA-N 0 0 180.295 2.555 10 30 AFEERN CCC[C@@]1(C)CC2=C(CCCC2=O)O1 62720231 167057853 /nfs/dbraw/zinc/05/78/53/167057853.db2.gz XHPCDVYLXNDJGJ-LBPRGKRZSA-N 0 0 194.274 2.973 10 30 AFEERN CCC[C@H](C#N)Nc1cccc(F)c1 37937094 167060945 /nfs/dbraw/zinc/06/09/45/167060945.db2.gz RIQNPDFFBSPPKS-LLVKDONJSA-N 0 0 192.237 2.930 10 30 AFEERN CCC[C@H](C#N)N1CCCCCC1 38086280 167061330 /nfs/dbraw/zinc/06/13/30/167061330.db2.gz CJNNSOZCTDPBNG-LLVKDONJSA-N 0 0 180.295 2.555 10 30 AFEERN CCC[C@H](C#N)NC1CCCCC1 37969466 167061413 /nfs/dbraw/zinc/06/14/13/167061413.db2.gz JUKPQWMNPJKRPR-LLVKDONJSA-N 0 0 180.295 2.601 10 30 AFEERN CCC[C@H](C#N)NC1CCCCCC1 37970259 167061704 /nfs/dbraw/zinc/06/17/04/167061704.db2.gz PCRIUQBQZLPAPX-GFCCVEGCSA-N 0 0 194.322 2.991 10 30 AFEERN CCC[C@H](C#N)Nc1ccc(F)cc1 37935885 167062053 /nfs/dbraw/zinc/06/20/53/167062053.db2.gz SWQMVEAHMNHGEY-LLVKDONJSA-N 0 0 192.237 2.930 10 30 AFEERN CCC[C@@]1(c2ccccc2)CO1 36466349 167062104 /nfs/dbraw/zinc/06/21/04/167062104.db2.gz HTLMYYDZEUTJMQ-NSHDSACASA-N 0 0 162.232 2.712 10 30 AFEERN CCC[C@H](C#N)C(C)C 39244998 167062233 /nfs/dbraw/zinc/06/22/33/167062233.db2.gz SEMAIQRIDIHYEZ-MRVPVSSYSA-N 0 0 125.215 2.582 10 30 AFEERN CCC[C@H](C)/C=C/C(C)=O 44709805 167062270 /nfs/dbraw/zinc/06/22/70/167062270.db2.gz NECROWMNPAXETR-CZEYKFRCSA-N 0 0 140.226 2.568 10 30 AFEERN CCC[C@H](C#N)Nc1ccccc1F 37938996 167062286 /nfs/dbraw/zinc/06/22/86/167062286.db2.gz YXKWTYHHMBKLCJ-SECBINFHSA-N 0 0 192.237 2.930 10 30 AFEERN CCC[C@H](C#N)Nc1ccccc1 37935376 167062447 /nfs/dbraw/zinc/06/24/47/167062447.db2.gz GGIARLBVIXZHNM-LLVKDONJSA-N 0 0 174.247 2.791 10 30 AFEERN CCC[C@H](C)C(=O)[C@H](C#N)C(C)C 41045762 167063918 /nfs/dbraw/zinc/06/39/18/167063918.db2.gz MVBCWIOFMDDXLL-VHSXEESVSA-N 0 0 181.279 2.787 10 30 AFEERN CCC[C@H](C)CN(CC#N)CCC 51320478 167064072 /nfs/dbraw/zinc/06/40/72/167064072.db2.gz OAIIVZJDANAWCK-NSHDSACASA-N 0 0 182.311 2.658 10 30 AFEERN CCC[C@H](C)C(=O)[C@@H](C#N)C(C)C 41045760 167065610 /nfs/dbraw/zinc/06/56/10/167065610.db2.gz MVBCWIOFMDDXLL-UWVGGRQHSA-N 0 0 181.279 2.787 10 30 AFEERN C=C[C@@H](C)Nc1cc(C)ccc1N 133985383 343931100 /nfs/dbraw/zinc/93/11/00/343931100.db2.gz NCTPSEIFWHEGBX-SECBINFHSA-N 0 0 176.263 2.564 10 30 AFEERN CCC[C@H](C)[C@H](C#N)N1CCCCC1 49954330 167072582 /nfs/dbraw/zinc/07/25/82/167072582.db2.gz ULYWBGKWIXUNKL-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@H](C)[C@H](C#N)NC1CCCC1 49953605 167072878 /nfs/dbraw/zinc/07/28/78/167072878.db2.gz IEAHIPAXQLYTJZ-JQWIXIFHSA-N 0 0 194.322 2.847 10 30 AFEERN CCC[C@H](C)[C@@H](C#N)NC1CCCC1 49953603 167072902 /nfs/dbraw/zinc/07/29/02/167072902.db2.gz IEAHIPAXQLYTJZ-CMPLNLGQSA-N 0 0 194.322 2.847 10 30 AFEERN CCC[C@H](C)[C@H](C#N)N(CC)CC 49954322 167072994 /nfs/dbraw/zinc/07/29/94/167072994.db2.gz UEWCVZRYSUGBLN-QWRGUYRKSA-N 0 0 182.311 2.657 10 30 AFEERN CCC[C@H](C)[C@H](C#N)N[C@@H](C)CC 49953637 167073042 /nfs/dbraw/zinc/07/30/42/167073042.db2.gz XVVOPSAKSYDDPS-DCAQKATOSA-N 0 0 182.311 2.703 10 30 AFEERN CCC[C@H](C)[C@@H](C#N)NCC(C)C 49953447 167073279 /nfs/dbraw/zinc/07/32/79/167073279.db2.gz NNKKLRZQJKVTHB-WDEREUQCSA-N 0 0 182.311 2.560 10 30 AFEERN CCC[C@H](C)[C@H](C#N)NCC(C)C 49953449 167074394 /nfs/dbraw/zinc/07/43/94/167074394.db2.gz NNKKLRZQJKVTHB-QWRGUYRKSA-N 0 0 182.311 2.560 10 30 AFEERN CCC[C@H](C)[C@@H](C#N)N1CCCCC1 49954328 167074399 /nfs/dbraw/zinc/07/43/99/167074399.db2.gz ULYWBGKWIXUNKL-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@H](C)[C@@H](C#N)N[C@@H](C)CC 49953635 167074937 /nfs/dbraw/zinc/07/49/37/167074937.db2.gz XVVOPSAKSYDDPS-GARJFASQSA-N 0 0 182.311 2.703 10 30 AFEERN CCC[C@H](C)[C@@H](C#N)N(CC)CC 49954320 167074992 /nfs/dbraw/zinc/07/49/92/167074992.db2.gz UEWCVZRYSUGBLN-WDEREUQCSA-N 0 0 182.311 2.657 10 30 AFEERN CCC[C@H](CC=O)C(C)C 75528912 167076820 /nfs/dbraw/zinc/07/68/20/167076820.db2.gz QPVMXURNIRGWLB-SECBINFHSA-N 0 0 142.242 2.648 10 30 AFEERN CCC[C@H](NCC#N)c1cccs1 49544854 167085485 /nfs/dbraw/zinc/08/54/85/167085485.db2.gz KHMJUNHFEZJCQJ-VIFPVBQESA-N 0 0 194.303 2.702 10 30 AFEERN CCC[C@H]1CC(=O)C[C@@](C)(C#N)C1 104841074 167087233 /nfs/dbraw/zinc/08/72/33/167087233.db2.gz NQIOIUUNGTZMDF-ONGXEEELSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@H]1CC(=O)C[C@](C)(C#N)C1 104841082 167087248 /nfs/dbraw/zinc/08/72/48/167087248.db2.gz NQIOIUUNGTZMDF-GXSJLCMTSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@H]1CC(C)=C/C1=N/O 100274780 167087815 /nfs/dbraw/zinc/08/78/15/167087815.db2.gz NTEYOJGGIBZPSA-HHHOFRBGSA-N 0 0 153.225 2.583 10 30 AFEERN CCC[C@H]1C=CC2=C(CCCC2=O)O1 26897639 167089033 /nfs/dbraw/zinc/08/90/33/167089033.db2.gz XAHMZLCWLWMPGH-VIFPVBQESA-N 0 0 192.258 2.749 10 30 AFEERN CCC[C@](C)(C#N)NC1CCCC1 37968515 167090937 /nfs/dbraw/zinc/09/09/37/167090937.db2.gz XYHGWYUGPSOWLO-LLVKDONJSA-N 0 0 180.295 2.601 10 30 AFEERN CCC[C@](C)(C#N)N1CCCCCC1 38086081 167091017 /nfs/dbraw/zinc/09/10/17/167091017.db2.gz RUNBEHDVWKGOBP-GFCCVEGCSA-N 0 0 194.322 2.945 10 30 AFEERN CCC[C@](C)(C#N)N1CCCCC1 37356846 167091249 /nfs/dbraw/zinc/09/12/49/167091249.db2.gz QHQOPVUGZPKXOG-LLVKDONJSA-N 0 0 180.295 2.555 10 30 AFEERN CCC[C@](C)(C#N)NC1CCCCC1 37969476 167091675 /nfs/dbraw/zinc/09/16/75/167091675.db2.gz BBZCLVPNYSZHRR-GFCCVEGCSA-N 0 0 194.322 2.991 10 30 AFEERN CCC[C@](C#N)(CC)CC(=O)OCC 21988619 167091767 /nfs/dbraw/zinc/09/17/67/167091767.db2.gz OZEGRZFNNLLFEF-LLVKDONJSA-N 0 0 197.278 2.660 10 30 AFEERN CCC[C@]1(c2ccccc2)CO1 36466348 167095573 /nfs/dbraw/zinc/09/55/73/167095573.db2.gz HTLMYYDZEUTJMQ-LLVKDONJSA-N 0 0 162.232 2.712 10 30 AFEERN CCC[C@]1(C)CC2=C(CCCC2=O)O1 62720228 167095934 /nfs/dbraw/zinc/09/59/34/167095934.db2.gz XHPCDVYLXNDJGJ-GFCCVEGCSA-N 0 0 194.274 2.973 10 30 AFEERN CCCc1cc(C)[nH]c(=S)c1C#N 33846367 167098712 /nfs/dbraw/zinc/09/87/12/167098712.db2.gz DFVZAKLJULDHKJ-UHFFFAOYSA-N 0 0 192.287 2.503 10 30 AFEERN CCCc1cc(C#N)cc(Cl)n1 75570376 167099013 /nfs/dbraw/zinc/09/90/13/167099013.db2.gz MKSZONQSRMUEMI-UHFFFAOYSA-N 0 0 180.638 2.559 10 30 AFEERN CCCc1cc(Cl)c(C#N)cn1 77268677 167099236 /nfs/dbraw/zinc/09/92/36/167099236.db2.gz DBDXCSGQJJJQKE-UHFFFAOYSA-N 0 0 180.638 2.559 10 30 AFEERN CCCc1c(CC)sc(N)c1C#N 19273328 167100436 /nfs/dbraw/zinc/10/04/36/167100436.db2.gz CQDKBALYXUQAHX-UHFFFAOYSA-N 0 0 194.303 2.717 10 30 AFEERN CCCc1ccc(O[C@H](C)C#N)cc1 11834522 167102469 /nfs/dbraw/zinc/10/24/69/167102469.db2.gz IMLBMFBVIANGFV-SNVBAGLBSA-N 0 0 189.258 2.930 10 30 AFEERN CCCc1ccc(OCC#N)cc1 11834377 167102640 /nfs/dbraw/zinc/10/26/40/167102640.db2.gz VKKALWGYIDVNKW-UHFFFAOYSA-N 0 0 175.231 2.541 10 30 AFEERN CCCc1ccc(N[C@H](C)C#N)cc1 49832536 167102681 /nfs/dbraw/zinc/10/26/81/167102681.db2.gz HTSWRDOIJJTWRF-SNVBAGLBSA-N 0 0 188.274 2.963 10 30 AFEERN CCCc1ccc(C#N)c(=S)[nH]1 326953 167102857 /nfs/dbraw/zinc/10/28/57/167102857.db2.gz GIQWELBGEMDUIR-UHFFFAOYSA-N 0 0 178.260 2.568 10 30 AFEERN CCCc1ccc([C@H](C)C=O)cc1 36156282 167103109 /nfs/dbraw/zinc/10/31/09/167103109.db2.gz ABLUHBDTSLIOBS-SNVBAGLBSA-N 0 0 176.259 2.942 10 30 AFEERN CCCc1ccc(NCC#N)cc1 37250788 167103184 /nfs/dbraw/zinc/10/31/84/167103184.db2.gz JYYWSDDBDXSULQ-UHFFFAOYSA-N 0 0 174.247 2.575 10 30 AFEERN CCCc1ccc(OCCC=O)cc1 11569665 167103446 /nfs/dbraw/zinc/10/34/46/167103446.db2.gz NVICVQHMLJCWTK-UHFFFAOYSA-N 0 0 192.258 2.607 10 30 AFEERN CCCc1ccc([C@@H]2CO2)cc1 22210988 167103645 /nfs/dbraw/zinc/10/36/45/167103645.db2.gz DERZJCLJKQIRQE-NSHDSACASA-N 0 0 162.232 2.710 10 30 AFEERN CCCc1ccc(N[C@@H](C)C#N)cc1 49832534 167104029 /nfs/dbraw/zinc/10/40/29/167104029.db2.gz HTSWRDOIJJTWRF-JTQLQIEISA-N 0 0 188.274 2.963 10 30 AFEERN CCCc1ccc([C@@]2(C)CO2)cc1 36156286 167104772 /nfs/dbraw/zinc/10/47/72/167104772.db2.gz TZENOXBNZPVJMR-GFCCVEGCSA-N 0 0 176.259 2.885 10 30 AFEERN CCCc1ccc(O[C@@H](C)C#N)cc1 11834521 167105013 /nfs/dbraw/zinc/10/50/13/167105013.db2.gz IMLBMFBVIANGFV-JTQLQIEISA-N 0 0 189.258 2.930 10 30 AFEERN CCCc1ccc([C@@H](C)C=O)cc1 36156280 167105047 /nfs/dbraw/zinc/10/50/47/167105047.db2.gz ABLUHBDTSLIOBS-JTQLQIEISA-N 0 0 176.259 2.942 10 30 AFEERN CCCc1ccccc1N[C@@H](C)C#N 43515534 167105317 /nfs/dbraw/zinc/10/53/17/167105317.db2.gz LWWQDBSPFFEUPP-JTQLQIEISA-N 0 0 188.274 2.963 10 30 AFEERN CCCc1ccc([C@H]2CO2)cc1 22210991 167106023 /nfs/dbraw/zinc/10/60/23/167106023.db2.gz DERZJCLJKQIRQE-LLVKDONJSA-N 0 0 162.232 2.710 10 30 AFEERN CCCc1ccccc1NCCC#N 49556434 167107269 /nfs/dbraw/zinc/10/72/69/167107269.db2.gz LZCFTYJXVXLWBS-UHFFFAOYSA-N 0 0 188.274 2.965 10 30 AFEERN CCCc1ccccc1C#N 39646373 167108143 /nfs/dbraw/zinc/10/81/43/167108143.db2.gz GIZMWAFEJOSMMV-UHFFFAOYSA-N 0 0 145.205 2.511 10 30 AFEERN CCCc1ccccc1N[C@H](C)C#N 43515535 167108154 /nfs/dbraw/zinc/10/81/54/167108154.db2.gz LWWQDBSPFFEUPP-SNVBAGLBSA-N 0 0 188.274 2.963 10 30 AFEERN CCCc1ccc([C@]2(C)CO2)cc1 36156284 167108244 /nfs/dbraw/zinc/10/82/44/167108244.db2.gz TZENOXBNZPVJMR-LBPRGKRZSA-N 0 0 176.259 2.885 10 30 AFEERN CCCc1nc(CC#N)sc1CC 19423326 167109217 /nfs/dbraw/zinc/10/92/17/167109217.db2.gz QNEANDIBCXAYCU-UHFFFAOYSA-N 0 0 194.303 2.724 10 30 AFEERN CCCc1nc2ccccc2n1CC#N 31936347 167112370 /nfs/dbraw/zinc/11/23/70/167112370.db2.gz YXXUHOKDLRTAAE-UHFFFAOYSA-N 0 0 199.257 2.512 10 30 AFEERN CCN(C)c1ccc(Cl)cc1C#N 52859565 167149875 /nfs/dbraw/zinc/14/98/75/167149875.db2.gz JTRVNDFVQUYVNW-UHFFFAOYSA-N 0 0 194.665 2.668 10 30 AFEERN CCN(CC#N)c1ccccc1Cl 75597341 167152720 /nfs/dbraw/zinc/15/27/20/167152720.db2.gz DRYGMRGWBIPQSU-UHFFFAOYSA-N 0 0 194.665 2.690 10 30 AFEERN CCN(C1CCCCC1)[C@H](C)C#N 43521866 167154003 /nfs/dbraw/zinc/15/40/03/167154003.db2.gz OARVKTUTUIPRGS-SNVBAGLBSA-N 0 0 180.295 2.553 10 30 AFEERN CCN(C1CCCCC1)[C@@H](C)C#N 43521863 167154325 /nfs/dbraw/zinc/15/43/25/167154325.db2.gz OARVKTUTUIPRGS-JTQLQIEISA-N 0 0 180.295 2.553 10 30 AFEERN CCN(CC#N)c1cc(C)ccc1C 334433839 167155551 /nfs/dbraw/zinc/15/55/51/167155551.db2.gz DMAYXZHLQUUVKE-UHFFFAOYSA-N 0 0 188.274 2.653 10 30 AFEERN CCN(CC)C1(C#N)CCC(C)CC1 19935189 167162802 /nfs/dbraw/zinc/16/28/02/167162802.db2.gz YUVXGAMDEBXTHF-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CC)C1(C#N)CCCCCC1 37355243 167163126 /nfs/dbraw/zinc/16/31/26/167163126.db2.gz GQMWXGBIMBCDFS-UHFFFAOYSA-N 0 0 194.322 2.945 10 30 AFEERN CCN(CC)[C@@]1(C#N)CCC[C@@H](C)C1 37355405 167172012 /nfs/dbraw/zinc/17/20/12/167172012.db2.gz ZYAFGGYUQIKKNN-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CC)[C@@]1(C#N)CCCC[C@H]1C 37355393 167172133 /nfs/dbraw/zinc/17/21/33/167172133.db2.gz NSZSUTWHAGVURH-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CC)[C@]1(C#N)CCC[C@@H](C)C1 37355404 167172806 /nfs/dbraw/zinc/17/28/06/167172806.db2.gz ZYAFGGYUQIKKNN-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CC)[C@@]1(C#N)CCC[C@H](C)C1 37355403 167172835 /nfs/dbraw/zinc/17/28/35/167172835.db2.gz ZYAFGGYUQIKKNN-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CC)[C@H](C#N)c1ccsc1 37355378 167173115 /nfs/dbraw/zinc/17/31/15/167173115.db2.gz XAVHRBBFTDAGTM-SNVBAGLBSA-N 0 0 194.303 2.655 10 30 AFEERN CCN(CC)[C@H](C#N)c1cccs1 19933874 167173316 /nfs/dbraw/zinc/17/33/16/167173316.db2.gz NUEUVWXNRMBGNQ-SECBINFHSA-N 0 0 194.303 2.655 10 30 AFEERN CCN(CC)[C@]1(C#N)CCC[C@H](C)C1 37355402 167173500 /nfs/dbraw/zinc/17/35/00/167173500.db2.gz ZYAFGGYUQIKKNN-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CC)[C@@]1(C#N)CCCC[C@@H]1C 37355391 167173515 /nfs/dbraw/zinc/17/35/15/167173515.db2.gz NSZSUTWHAGVURH-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CC)[C@]1(C#N)CCCC[C@H]1C 37355392 167173768 /nfs/dbraw/zinc/17/37/68/167173768.db2.gz NSZSUTWHAGVURH-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CC)c1cc(C)ccc1C#N 51596970 167174095 /nfs/dbraw/zinc/17/40/95/167174095.db2.gz FELDQCVUZWTIBC-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN CC[NH+](CC)[C@@H]1C[C@H](C)CC[C@@H]1C#N 37145665 167174207 /nfs/dbraw/zinc/17/42/07/167174207.db2.gz WVPVOKVMXPYWCA-IJLUTSLNSA-N 0 0 194.322 2.657 10 30 AFEERN CCN(CC)[C@]1(C#N)CCCC[C@@H]1C 37355390 167174482 /nfs/dbraw/zinc/17/44/82/167174482.db2.gz NSZSUTWHAGVURH-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CC)c1ccc(C#N)cc1C 36203693 167174865 /nfs/dbraw/zinc/17/48/65/167174865.db2.gz QUPMRVFWFOYLPM-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN CCN(CCC#N)c1ccccc1F 49800109 167178379 /nfs/dbraw/zinc/17/83/79/167178379.db2.gz YQCSCDFUAYBKJE-UHFFFAOYSA-N 0 0 192.237 2.566 10 30 AFEERN CCN(CCC#N)c1ccccc1C 19480319 167178614 /nfs/dbraw/zinc/17/86/14/167178614.db2.gz ZXAGMMMDCQCDTK-UHFFFAOYSA-N 0 0 188.274 2.735 10 30 AFEERN CCN(CCC#N)c1cccc(F)c1 44888685 167181348 /nfs/dbraw/zinc/18/13/48/167181348.db2.gz HQQMZYCENBSZJQ-UHFFFAOYSA-N 0 0 192.237 2.566 10 30 AFEERN CCN(CCC#N)c1ccc(F)cc1 49800117 167181367 /nfs/dbraw/zinc/18/13/67/167181367.db2.gz QVCUUBPSODPKDO-UHFFFAOYSA-N 0 0 192.237 2.566 10 30 AFEERN CCN(CCC#N)c1ccc(C)cc1 49800892 167181736 /nfs/dbraw/zinc/18/17/36/167181736.db2.gz YWZPIFVUKZCBIQ-UHFFFAOYSA-N 0 0 188.274 2.735 10 30 AFEERN CCN(C[C@@H](C)C#N)c1ccccc1 31945925 167190122 /nfs/dbraw/zinc/19/01/22/167190122.db2.gz DSAAZCCDZWMWML-NSHDSACASA-N 0 0 188.274 2.673 10 30 AFEERN CCN(C[C@H](C)C#N)c1ccccc1 31945926 167192614 /nfs/dbraw/zinc/19/26/14/167192614.db2.gz DSAAZCCDZWMWML-LLVKDONJSA-N 0 0 188.274 2.673 10 30 AFEERN CCN(c1ccccc1C#N)C(C)C 37082454 167195084 /nfs/dbraw/zinc/19/50/84/167195084.db2.gz SUOATZCPFRQXJH-UHFFFAOYSA-N 0 0 188.274 2.793 10 30 AFEERN CCN(c1ccc(C#N)cc1)C(C)C 37082455 167195189 /nfs/dbraw/zinc/19/51/89/167195189.db2.gz UKOCFIHTLKKPJB-UHFFFAOYSA-N 0 0 188.274 2.793 10 30 AFEERN CCN(c1ccc(C#N)cc1)C1CC1 37080180 167195342 /nfs/dbraw/zinc/19/53/42/167195342.db2.gz MMUUONMFOBDSFQ-UHFFFAOYSA-N 0 0 186.258 2.547 10 30 AFEERN CCN(c1cccc(C)c1)[C@@H](C)C#N 43522037 167195919 /nfs/dbraw/zinc/19/59/19/167195919.db2.gz RKUMAKXDVPBBSU-NSHDSACASA-N 0 0 188.274 2.733 10 30 AFEERN CCN(c1cccc(C)c1)[C@H](C)C#N 43522040 167196408 /nfs/dbraw/zinc/19/64/08/167196408.db2.gz RKUMAKXDVPBBSU-LLVKDONJSA-N 0 0 188.274 2.733 10 30 AFEERN CCN(c1ccc(C#N)o1)C(C)(C)C 83341797 167196510 /nfs/dbraw/zinc/19/65/10/167196510.db2.gz AKOYCVBPJPGCBW-UHFFFAOYSA-N 0 0 192.262 2.776 10 30 AFEERN CCN(c1ccccc1C#N)C1CC1 37080179 167196703 /nfs/dbraw/zinc/19/67/03/167196703.db2.gz YBUWRESZEBRUJD-UHFFFAOYSA-N 0 0 186.258 2.547 10 30 AFEERN CCCc1ccccc1NCC#N 49556453 167106433 /nfs/dbraw/zinc/10/64/33/167106433.db2.gz LSLCYVMQTRBODL-UHFFFAOYSA-N 0 0 174.247 2.575 10 30 AFEERN C[C@H](C#N)Oc1ccc(Cl)c(F)c1 134371709 343942075 /nfs/dbraw/zinc/94/20/75/343942075.db2.gz AMKYBXNIWPLOJY-ZCFIWIBFSA-N 0 0 199.612 2.770 10 30 AFEERN CCNC1(C#N)CCCCCCC1 34939496 167254813 /nfs/dbraw/zinc/25/48/13/167254813.db2.gz XNDFEYIIUVBVBJ-UHFFFAOYSA-N 0 0 180.295 2.603 10 30 AFEERN CCNC1(C#N)CCC(C(C)C)CC1 54557242 167255347 /nfs/dbraw/zinc/25/53/47/167255347.db2.gz GCTCURZBPSGBKZ-UHFFFAOYSA-N 0 0 194.322 2.704 10 30 AFEERN CCN[C@@H](C#N)c1cc(C)sc1C 49687500 167280723 /nfs/dbraw/zinc/28/07/23/167280723.db2.gz YLAMLLLRLCGQRT-JTQLQIEISA-N 0 0 194.303 2.539 10 30 AFEERN CCN[C@@H](C#N)c1ccccc1Cl 20173610 167281961 /nfs/dbraw/zinc/28/19/61/167281961.db2.gz RPXPRZSTOUWRRG-JTQLQIEISA-N 0 0 194.665 2.514 10 30 AFEERN CCN[C@@H](C#N)c1cccc(Cl)c1 20173847 167282403 /nfs/dbraw/zinc/28/24/03/167282403.db2.gz RYYVRFHAQSYUSU-JTQLQIEISA-N 0 0 194.665 2.514 10 30 AFEERN CCN[C@H](C#N)c1cccc(Cl)c1 20173849 167292706 /nfs/dbraw/zinc/29/27/06/167292706.db2.gz RYYVRFHAQSYUSU-SNVBAGLBSA-N 0 0 194.665 2.514 10 30 AFEERN CCN[C@H](C#N)c1ccccc1Cl 20173612 167293649 /nfs/dbraw/zinc/29/36/49/167293649.db2.gz RPXPRZSTOUWRRG-SNVBAGLBSA-N 0 0 194.665 2.514 10 30 AFEERN CCN[C@@]1(C#N)C[C@@H](C)CC(C)(C)C1 20378957 167293709 /nfs/dbraw/zinc/29/37/09/167293709.db2.gz GMNJKCPCSMSRBZ-JQWIXIFHSA-N 0 0 194.322 2.704 10 30 AFEERN CCN[C@@]1(C#N)C[C@H](C)CC(C)(C)C1 20378963 167294791 /nfs/dbraw/zinc/29/47/91/167294791.db2.gz GMNJKCPCSMSRBZ-PWSUYJOCSA-N 0 0 194.322 2.704 10 30 AFEERN CCN[C@H](C#N)c1cc(C)sc1C 49687501 167295002 /nfs/dbraw/zinc/29/50/02/167295002.db2.gz YLAMLLLRLCGQRT-SNVBAGLBSA-N 0 0 194.303 2.539 10 30 AFEERN CCN[C@]1(C#N)C[C@H](C)CC(C)(C)C1 20378966 167303626 /nfs/dbraw/zinc/30/36/26/167303626.db2.gz GMNJKCPCSMSRBZ-ZYHUDNBSSA-N 0 0 194.322 2.704 10 30 AFEERN CCNc1c(C)cc(C)cc1C#N 72417456 167304613 /nfs/dbraw/zinc/30/46/13/167304613.db2.gz VBSATGNAAFLSLN-UHFFFAOYSA-N 0 0 174.247 2.607 10 30 AFEERN CCN[C@]1(C#N)C[C@@H](C)CC(C)(C)C1 20378960 167305646 /nfs/dbraw/zinc/30/56/46/167305646.db2.gz GMNJKCPCSMSRBZ-CMPLNLGQSA-N 0 0 194.322 2.704 10 30 AFEERN CCNc1c(Cl)cc(C)cc1C#N 72417457 167306104 /nfs/dbraw/zinc/30/61/04/167306104.db2.gz CZYNBEASRLHQGR-UHFFFAOYSA-N 0 0 194.665 2.952 10 30 AFEERN CCNc1ccc(Cl)cc1C#N 52856692 167310539 /nfs/dbraw/zinc/31/05/39/167310539.db2.gz DQKIHXAJJJDTOJ-UHFFFAOYSA-N 0 0 180.638 2.643 10 30 AFEERN CCNc1nc(C(C)C)ccc1C#N 50871642 167314918 /nfs/dbraw/zinc/31/49/18/167314918.db2.gz BLFOUAJKBZXYHP-UHFFFAOYSA-N 0 0 189.262 2.508 10 30 AFEERN CCNc1sc2c(c1C#N)CCC2 62797003 167315207 /nfs/dbraw/zinc/31/52/07/167315207.db2.gz WNVQDTVCRWYFRB-UHFFFAOYSA-N 0 0 192.287 2.540 10 30 AFEERN CCNc1sc(C)c(C)c1C#N 62796983 167315847 /nfs/dbraw/zinc/31/58/47/167315847.db2.gz GXUFHKFGMOUAMA-UHFFFAOYSA-N 0 0 180.276 2.668 10 30 AFEERN CCO/C(C)=N/C1CCCCC1 2583778 167316150 /nfs/dbraw/zinc/31/61/50/167316150.db2.gz HNRFBPGWYHRJPG-PKNBQFBNSA-N 0 0 169.268 2.774 10 30 AFEERN CCOC(=O)C[C@H](C#N)C(CC)CC 21988599 167336880 /nfs/dbraw/zinc/33/68/80/167336880.db2.gz MPDSXSGAQJSEAF-SNVBAGLBSA-N 0 0 197.278 2.516 10 30 AFEERN CCOC(=O)[C@@H](C#N)CC(CC)CC 38523763 167343922 /nfs/dbraw/zinc/34/39/22/167343922.db2.gz HMLVUUQTFBXLFV-SNVBAGLBSA-N 0 0 197.278 2.516 10 30 AFEERN CCOC(=O)[C@H](C#N)CC(CC)CC 38523762 167355777 /nfs/dbraw/zinc/35/57/77/167355777.db2.gz HMLVUUQTFBXLFV-JTQLQIEISA-N 0 0 197.278 2.516 10 30 AFEERN CCOC1=CC(=O)[C@@H]2CCCC[C@@H]2C1 95930722 167379320 /nfs/dbraw/zinc/37/93/20/167379320.db2.gz RULNUQJXOKMTOG-MWLCHTKSSA-N 0 0 194.274 2.686 10 30 AFEERN CCOC1(C#N)CCCCCC1 39089650 167379331 /nfs/dbraw/zinc/37/93/31/167379331.db2.gz UVABPRMSNXKGHN-UHFFFAOYSA-N 0 0 167.252 2.639 10 30 AFEERN CCOC1=CC(=O)C[C@H](C(C)C)C1 39119244 167379607 /nfs/dbraw/zinc/37/96/07/167379607.db2.gz FRRIGYNOTAFCCS-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN CCOC1=CC(=O)C[C@@H](C(C)C)C1 39119246 167379733 /nfs/dbraw/zinc/37/97/33/167379733.db2.gz FRRIGYNOTAFCCS-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN CCOC1=CC(=O)[C@@H]2CCCC[C@H]2C1 95930725 167380091 /nfs/dbraw/zinc/38/00/91/167380091.db2.gz RULNUQJXOKMTOG-GXSJLCMTSA-N 0 0 194.274 2.686 10 30 AFEERN CCOC1=CC(=O)[C@H]2CCCC[C@H]2C1 95930727 167380171 /nfs/dbraw/zinc/38/01/71/167380171.db2.gz RULNUQJXOKMTOG-ONGXEEELSA-N 0 0 194.274 2.686 10 30 AFEERN CCOC1=CC(=O)[C@@H](C(C)C)CC1 38671944 167380266 /nfs/dbraw/zinc/38/02/66/167380266.db2.gz LASOUINACJYUTE-SNVBAGLBSA-N 0 0 182.263 2.542 10 30 AFEERN CCOC1=CC(=O)[C@H](C(C)C)CC1 38671942 167380629 /nfs/dbraw/zinc/38/06/29/167380629.db2.gz LASOUINACJYUTE-JTQLQIEISA-N 0 0 182.263 2.542 10 30 AFEERN CCOC1=CC(=O)C12CCCCCC2 95938329 167380721 /nfs/dbraw/zinc/38/07/21/167380721.db2.gz FZVJQMCKSUNZHO-UHFFFAOYSA-N 0 0 194.274 2.830 10 30 AFEERN CCOC1=CC(=O)[C@H]2CCCC[C@@H]2C1 95930723 167381181 /nfs/dbraw/zinc/38/11/81/167381181.db2.gz RULNUQJXOKMTOG-KOLCDFICSA-N 0 0 194.274 2.686 10 30 AFEERN CCON=CNc1ccccc1Cl 5859399 167399453 /nfs/dbraw/zinc/39/94/53/167399453.db2.gz MEPYABNMFCHBOB-UHFFFAOYSA-N 0 0 198.653 2.541 10 30 AFEERN CCOc1cc(C)c(C#N)cc1Cl 82588944 167411202 /nfs/dbraw/zinc/41/12/02/167411202.db2.gz QFNFAPGFHNATQT-UHFFFAOYSA-N 0 0 195.649 2.919 10 30 AFEERN CCOc1cc(C)c(C)cc1C#N 36201186 167411671 /nfs/dbraw/zinc/41/16/71/167411671.db2.gz CYNYONFWTKELEH-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCOc1cc(C)c([C@H]2CO2)cc1C 41205911 167412580 /nfs/dbraw/zinc/41/25/80/167412580.db2.gz TUJSURDWJPFHOR-GFCCVEGCSA-N 0 0 192.258 2.773 10 30 AFEERN CCOc1c(C)ccc(C)c1C#N 71457331 167412642 /nfs/dbraw/zinc/41/26/42/167412642.db2.gz POWKFDSPJRDQBI-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCOc1ccc(CCC#N)cc1 62169927 167417649 /nfs/dbraw/zinc/41/76/49/167417649.db2.gz OTBOBWBJSKVLJS-UHFFFAOYSA-N 0 0 175.231 2.541 10 30 AFEERN CCOc1ccc([C@@H](C)C#N)cc1 37245571 167420150 /nfs/dbraw/zinc/42/01/50/167420150.db2.gz PKWJQJIGITWZKH-VIFPVBQESA-N 0 0 175.231 2.712 10 30 AFEERN CCOc1ccc([C@@H]2C[C@@H]2C#N)cc1 41203845 167420982 /nfs/dbraw/zinc/42/09/82/167420982.db2.gz SWJMCPHXXQYXHO-PWSUYJOCSA-N 0 0 187.242 2.712 10 30 AFEERN CCOc1cccc([C@H]2C[C@@H]2C#N)c1 41203836 167424934 /nfs/dbraw/zinc/42/49/34/167424934.db2.gz CBBAJSUCZVZUNM-ZYHUDNBSSA-N 0 0 187.242 2.712 10 30 AFEERN CCOc1ccccc1[C@@H]1C[C@@H]1C#N 41203822 167427880 /nfs/dbraw/zinc/42/78/80/167427880.db2.gz VFUBEKLOELZFBB-MWLCHTKSSA-N 0 0 187.242 2.712 10 30 AFEERN CCS[C@@H](C)C/C=C/C(C)=O 34222811 167436510 /nfs/dbraw/zinc/43/65/10/167436510.db2.gz WZHZGZNRMBGZCR-CYNONHLPSA-N 0 0 172.293 2.663 10 30 AFEERN CCS[C@@H]1CCCC[C@H]1C#N 37156019 167436565 /nfs/dbraw/zinc/43/65/65/167436565.db2.gz LJMLDLSOTJKSPI-DTWKUNHWSA-N 0 0 169.293 2.822 10 30 AFEERN CCSc1ccc(CC#N)cc1 82529490 167437214 /nfs/dbraw/zinc/43/72/14/167437214.db2.gz AZDPSPVESQKHBG-UHFFFAOYSA-N 0 0 177.272 2.865 10 30 AFEERN CCSc1ccc([C@@H]2CO2)cc1 82529650 167438912 /nfs/dbraw/zinc/43/89/12/167438912.db2.gz PBPAKVIROKMCHV-JTQLQIEISA-N 0 0 180.272 2.870 10 30 AFEERN CCS[C@H]1CCCC[C@H]1C#N 37156022 167439026 /nfs/dbraw/zinc/43/90/26/167439026.db2.gz LJMLDLSOTJKSPI-IUCAKERBSA-N 0 0 169.293 2.822 10 30 AFEERN CC[C@@H](C#N)N[C@@H](C)c1ccsc1 61362604 167443226 /nfs/dbraw/zinc/44/32/26/167443226.db2.gz NPJKBRWNQBMZPV-WPRPVWTQSA-N 0 0 194.303 2.701 10 30 AFEERN CC[C@@H](C#N)NC1CCCCCC1 37970256 167443691 /nfs/dbraw/zinc/44/36/91/167443691.db2.gz GWNNSSAVRLYVJJ-JTQLQIEISA-N 0 0 180.295 2.601 10 30 AFEERN CC[C@@H](C#N)Nc1ccc(C)c(F)c1 43539300 167444312 /nfs/dbraw/zinc/44/43/12/167444312.db2.gz LVQFMJZCEGUCAE-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@@H](C#N)Oc1ccccc1C 43557023 167444457 /nfs/dbraw/zinc/44/44/57/167444457.db2.gz VZWDTGOUGXBJQV-JTQLQIEISA-N 0 0 175.231 2.676 10 30 AFEERN CC[C@@H](C#N)Oc1ccc(F)c(F)c1 43557321 167444756 /nfs/dbraw/zinc/44/47/56/167444756.db2.gz GBVLWVGYPXPBKL-ZETCQYMHSA-N 0 0 197.184 2.646 10 30 AFEERN CC[C@@H](C#N)Oc1cc(C)cc(C)c1 43557017 167444974 /nfs/dbraw/zinc/44/49/74/167444974.db2.gz OPEOPXXAUSQMDH-NSHDSACASA-N 0 0 189.258 2.984 10 30 AFEERN CC[C@@H](C#N)c1cccs1 19728874 167445769 /nfs/dbraw/zinc/44/57/69/167445769.db2.gz PLEZZVAPAOWLIV-ZETCQYMHSA-N 0 0 151.234 2.765 10 30 AFEERN CC[C@@H](C#N)c1ccc(OC)c(F)c1 41206163 167445790 /nfs/dbraw/zinc/44/57/90/167445790.db2.gz HQQLQGFILIZIIA-QMMMGPOBSA-N 0 0 193.221 2.851 10 30 AFEERN CC[C@@H](C#N)N[C@H](C)c1ccccc1 43539066 167445932 /nfs/dbraw/zinc/44/59/32/167445932.db2.gz ODSQMPVXMVPTMT-PWSUYJOCSA-N 0 0 188.274 2.639 10 30 AFEERN CC[C@@H](C#N)OC[C@@H]1CC=CC[C@@H]1C 43557261 167445964 /nfs/dbraw/zinc/44/59/64/167445964.db2.gz HRGQQODMVOCYPT-SRVKXCTJSA-N 0 0 193.290 2.907 10 30 AFEERN CC[C@@H](C#N)Sc1ccc(N)cc1 43542936 167446038 /nfs/dbraw/zinc/44/60/38/167446038.db2.gz LILZEHWDJFIRAH-VIFPVBQESA-N 0 0 192.287 2.663 10 30 AFEERN CC[C@@H](C#N)Sc1ccccc1N 43542922 167446418 /nfs/dbraw/zinc/44/64/18/167446418.db2.gz VKYPPLIUFCXEHN-QMMMGPOBSA-N 0 0 192.287 2.663 10 30 AFEERN CC[C@@H](C)C(=O)[C@H](CC)CC#N 51690452 167450814 /nfs/dbraw/zinc/45/08/14/167450814.db2.gz JGIDZSYEGHVPQF-RKDXNWHRSA-N 0 0 167.252 2.541 10 30 AFEERN CC[C@@H](C)C(=O)[C@@H](C#N)CC(C)C 43374865 167450865 /nfs/dbraw/zinc/45/08/65/167450865.db2.gz BISQJPVDIYEEJS-NXEZZACHSA-N 0 0 181.279 2.787 10 30 AFEERN CC[C@@H](C)CCCC#N 2578911 167451528 /nfs/dbraw/zinc/45/15/28/167451528.db2.gz HPTYTBBFJDRVHG-MRVPVSSYSA-N 0 0 125.215 2.726 10 30 AFEERN CC[C@@H](C)N[C@@H](C#N)c1ccccc1 38064378 167474848 /nfs/dbraw/zinc/47/48/48/167474848.db2.gz YUIIRFDCWJMEPW-PWSUYJOCSA-N 0 0 188.274 2.639 10 30 AFEERN CC[C@@H](C)N[C@H](C#N)c1ccsc1 38064228 167476274 /nfs/dbraw/zinc/47/62/74/167476274.db2.gz LGIHVLBMFDNAES-PSASIEDQSA-N 0 0 194.303 2.701 10 30 AFEERN CC[C@@H](C)N[C@@H](C#N)c1cccs1 41672094 167476454 /nfs/dbraw/zinc/47/64/54/167476454.db2.gz JDTQEWYOWUQIEQ-BDAKNGLRSA-N 0 0 194.303 2.701 10 30 AFEERN CC[C@@H](C)OCc1ccccc1C#N 48264553 167482879 /nfs/dbraw/zinc/48/28/79/167482879.db2.gz GSRUTXGBSQAZQM-SNVBAGLBSA-N 0 0 189.258 2.873 10 30 AFEERN CC[C@@H](C)OCc1ccc(C#N)cc1 48264565 167483000 /nfs/dbraw/zinc/48/30/00/167483000.db2.gz UOVKDBPNYICLAB-SNVBAGLBSA-N 0 0 189.258 2.873 10 30 AFEERN CC[C@@H](C)Oc1ccc(C#N)cc1F 48264538 167483496 /nfs/dbraw/zinc/48/34/96/167483496.db2.gz MBBPDNUKHHUCRO-MRVPVSSYSA-N 0 0 193.221 2.875 10 30 AFEERN CC[C@@H](C)SC[C@@H](C)C#N 36985042 167483784 /nfs/dbraw/zinc/48/37/84/167483784.db2.gz GKIVRDKYUBXUMB-JGVFFNPUSA-N 0 0 157.282 2.678 10 30 AFEERN CC[C@@H](C)c1csc(N)c1C#N 37745303 167494997 /nfs/dbraw/zinc/49/49/97/167494997.db2.gz QPIHYNPMFIKQRM-ZCFIWIBFSA-N 0 0 180.276 2.715 10 30 AFEERN CC[C@@H](C)c1ccc(C#CCO)cc1 37470683 167497084 /nfs/dbraw/zinc/49/70/84/167497084.db2.gz QATLWLOIGMCHIQ-LLVKDONJSA-N 0 0 188.270 2.544 10 30 AFEERN CC[C@@H](CC#N)C(=O)C1CCCC1 51690456 167498145 /nfs/dbraw/zinc/49/81/45/167498145.db2.gz ZFJMVXKAFCLDQM-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@@H](C=C(C)C)[C@@H](C)C=O 75541915 167498860 /nfs/dbraw/zinc/49/88/60/167498860.db2.gz SUVMJRKRWONMQE-UWVGGRQHSA-N 0 0 154.253 2.814 10 30 AFEERN CC[C@@H](C=O)c1ccc(C)c(C)c1 32006903 167499514 /nfs/dbraw/zinc/49/95/14/167499514.db2.gz JPISNVRYRWLJNX-NSHDSACASA-N 0 0 176.259 2.996 10 30 AFEERN CC[C@@H](CC#N)n1nc(C)c(C)c1C 40729989 167501429 /nfs/dbraw/zinc/50/14/29/167501429.db2.gz FGCVDHRMKXATSC-NSHDSACASA-N 0 0 191.278 2.673 10 30 AFEERN CC[C@@H]1CCCC[C@H]1OCCC#N 19504466 167548159 /nfs/dbraw/zinc/54/81/59/167548159.db2.gz SVRHERVYJUDZIQ-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@@](C#N)(CCC#N)c1ccncc1 34183956 167572872 /nfs/dbraw/zinc/57/28/72/167572872.db2.gz RVKHZVGEIPSUPC-LBPRGKRZSA-N 0 0 199.257 2.557 10 30 AFEERN CC[C@@](C)(C=O)C(C)(C)C 75528898 167573386 /nfs/dbraw/zinc/57/33/86/167573386.db2.gz WXYAMHDUGDTPSY-VIFPVBQESA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@@](C)(C#N)Nc1ccccc1 2550804 167573423 /nfs/dbraw/zinc/57/34/23/167573423.db2.gz FAGMYHXNXCHFQR-NSHDSACASA-N 0 0 174.247 2.791 10 30 AFEERN CC[C@@](C)(C#N)NCc1cccs1 37939726 167573960 /nfs/dbraw/zinc/57/39/60/167573960.db2.gz PILBFMPVJKBOCT-JTQLQIEISA-N 0 0 194.303 2.530 10 30 AFEERN CC[C@@](C)(C#N)Nc1ccccc1F 37939011 167574115 /nfs/dbraw/zinc/57/41/15/167574115.db2.gz LPXVWIQTVSGHFO-NSHDSACASA-N 0 0 192.237 2.930 10 30 AFEERN CC[C@@](C)(C#N)c1ccc(OC)cc1 34380878 167574288 /nfs/dbraw/zinc/57/42/88/167574288.db2.gz MVDOAQGATUPULV-LBPRGKRZSA-N 0 0 189.258 2.886 10 30 AFEERN CC[C@@](C)(CCC[C@H](C)C=O)OC 64624575 167577181 /nfs/dbraw/zinc/57/71/81/167577181.db2.gz XMLIBBMPASIZBW-QWRGUYRKSA-N 0 0 186.295 2.807 10 30 in-vitro AFEERN CC[C@@]1(C)C[C@@H](C#N)CCS1 75558219 167580274 /nfs/dbraw/zinc/58/02/74/167580274.db2.gz ICVJYKGSRXTVOF-IUCAKERBSA-N 0 0 169.293 2.822 10 30 AFEERN CC[C@H](C#N)NCCC1=CCCCC1 51756434 167587441 /nfs/dbraw/zinc/58/74/41/167587441.db2.gz GSXHIYAPEQBSKU-GFCCVEGCSA-N 0 0 192.306 2.769 10 30 AFEERN CC[C@H](C#N)C(=O)c1cccc(C)c1 36916057 167587830 /nfs/dbraw/zinc/58/78/30/167587830.db2.gz WNTKFXVLXKLNEO-SNVBAGLBSA-N 0 0 187.242 2.728 10 30 AFEERN CC[C@H](C#N)Nc1ccc(F)cc1 37935883 167587967 /nfs/dbraw/zinc/58/79/67/167587967.db2.gz UBIQAFBGFZBUJQ-SECBINFHSA-N 0 0 178.210 2.540 10 30 AFEERN CC[C@H](C#N)Nc1ccc(C)cc1 37935626 167588073 /nfs/dbraw/zinc/58/80/73/167588073.db2.gz GFWWSEUKWQGWBY-SNVBAGLBSA-N 0 0 174.247 2.709 10 30 AFEERN CC[C@H](C#N)Nc1ccc(F)cc1F 43539291 167588142 /nfs/dbraw/zinc/58/81/42/167588142.db2.gz VFKLSPXOVYEEHB-MRVPVSSYSA-N 0 0 196.200 2.679 10 30 AFEERN CC[C@H](C#N)Nc1ccc(F)c(F)c1 43539255 167588427 /nfs/dbraw/zinc/58/84/27/167588427.db2.gz IEEROKBBQIBKAH-SSDOTTSWSA-N 0 0 196.200 2.679 10 30 AFEERN CC[C@H](C#N)N[C@@H](C)c1cccs1 43540039 167588631 /nfs/dbraw/zinc/58/86/31/167588631.db2.gz GTGAVUGQSLIRAL-DTWKUNHWSA-N 0 0 194.303 2.701 10 30 AFEERN CC[C@H](C#N)Nc1c(F)cccc1F 43539587 167589028 /nfs/dbraw/zinc/58/90/28/167589028.db2.gz TXZMUEYJKBQERG-SSDOTTSWSA-N 0 0 196.200 2.679 10 30 AFEERN CC[C@H](C#N)Oc1ccccc1C 43557025 167589362 /nfs/dbraw/zinc/58/93/62/167589362.db2.gz VZWDTGOUGXBJQV-SNVBAGLBSA-N 0 0 175.231 2.676 10 30 AFEERN CC[C@H](C)C1=CC(=O)CCC1 39147502 167596439 /nfs/dbraw/zinc/59/64/39/167596439.db2.gz ZYOIWYRPGXRSIW-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@H](C)C(=O)[C@@H](C#N)CC(C)C 43374867 167596987 /nfs/dbraw/zinc/59/69/87/167596987.db2.gz BISQJPVDIYEEJS-VHSXEESVSA-N 0 0 181.279 2.787 10 30 AFEERN CC[C@H](C)CCCCC=O 34266243 167597036 /nfs/dbraw/zinc/59/70/36/167597036.db2.gz ANZKSSJWPUCGOP-VIFPVBQESA-N 0 0 142.242 2.792 10 30 AFEERN CC[C@H](C)C[C@H](C#N)CC 37245521 167605254 /nfs/dbraw/zinc/60/52/54/167605254.db2.gz GCBYJWOKTYOUDO-DTWKUNHWSA-N 0 0 139.242 2.972 10 30 AFEERN CC[C@H](C)N[C@H](C#N)c1ccsc1 38064229 167617899 /nfs/dbraw/zinc/61/78/99/167617899.db2.gz LGIHVLBMFDNAES-WCBMZHEXSA-N 0 0 194.303 2.701 10 30 AFEERN CC[C@H](C)OCc1ccccc1C#N 48264555 167622074 /nfs/dbraw/zinc/62/20/74/167622074.db2.gz GSRUTXGBSQAZQM-JTQLQIEISA-N 0 0 189.258 2.873 10 30 AFEERN CC[C@H](C)[C@@H](C#N)NC1CCCCC1 41050174 167623373 /nfs/dbraw/zinc/62/33/73/167623373.db2.gz RJBYFZAQVHLTBF-CMPLNLGQSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)SC[C@H](C)C#N 36985045 167623377 /nfs/dbraw/zinc/62/33/77/167623377.db2.gz GKIVRDKYUBXUMB-SFYZADRCSA-N 0 0 157.282 2.678 10 30 AFEERN CC[C@H](C)Oc1ccccc1C#N 20217334 167624097 /nfs/dbraw/zinc/62/40/97/167624097.db2.gz OATCNFQTVXUMPW-VIFPVBQESA-N 0 0 175.231 2.736 10 30 AFEERN CC[C@H](C)c1csc(CC#N)n1 37745364 167634566 /nfs/dbraw/zinc/63/45/66/167634566.db2.gz TVBRPLLRAAREEA-ZETCQYMHSA-N 0 0 180.276 2.723 10 30 AFEERN CC[C@H](C)c1ccc(C#CCO)cc1 37470684 167634670 /nfs/dbraw/zinc/63/46/70/167634670.db2.gz QATLWLOIGMCHIQ-NSHDSACASA-N 0 0 188.270 2.544 10 30 AFEERN CC[C@H](C)c1csc(N)c1C#N 37745304 167635163 /nfs/dbraw/zinc/63/51/63/167635163.db2.gz QPIHYNPMFIKQRM-LURJTMIESA-N 0 0 180.276 2.715 10 30 AFEERN CC[C@H](C=C(C)C)[C@@H](C)C=O 75541918 167636357 /nfs/dbraw/zinc/63/63/57/167636357.db2.gz SUVMJRKRWONMQE-VHSXEESVSA-N 0 0 154.253 2.814 10 30 AFEERN CC[C@H](C=O)c1ccc(C)cc1C 41199576 167636963 /nfs/dbraw/zinc/63/69/63/167636963.db2.gz LQXZCMWAZDTVIZ-LLVKDONJSA-N 0 0 176.259 2.996 10 30 AFEERN CC[C@H](C=O)c1ccc(F)cc1 32006369 167637060 /nfs/dbraw/zinc/63/70/60/167637060.db2.gz AUBUGOPTRPNLFG-MRVPVSSYSA-N 0 0 166.195 2.518 10 30 AFEERN CC[C@H](C=O)c1cc(C)ccc1C 32006907 167637280 /nfs/dbraw/zinc/63/72/80/167637280.db2.gz HZQYOYRMFDUWBU-LLVKDONJSA-N 0 0 176.259 2.996 10 30 AFEERN CC[C@H](CC#N)Nc1ccccc1 36678299 167639532 /nfs/dbraw/zinc/63/95/32/167639532.db2.gz CZJOEFPNVBKFJG-SNVBAGLBSA-N 0 0 174.247 2.791 10 30 AFEERN CC[C@H](CC#N)Nc1cccc(C#N)c1 36679670 167640003 /nfs/dbraw/zinc/64/00/03/167640003.db2.gz USLYCCMOPYKZQC-LLVKDONJSA-N 0 0 199.257 2.662 10 30 AFEERN CC[C@H](CC#N)Nc1cccc(F)c1 36679636 167640516 /nfs/dbraw/zinc/64/05/16/167640516.db2.gz DQQYNNLRQONBKV-SNVBAGLBSA-N 0 0 192.237 2.930 10 30 AFEERN CC[C@H](CC#N)Nc1ccccc1C#N 36679660 167640731 /nfs/dbraw/zinc/64/07/31/167640731.db2.gz DNFDMUFUQKCHMC-LLVKDONJSA-N 0 0 199.257 2.662 10 30 AFEERN CC[C@H]1CCCC[C@H]1OCCC#N 19504467 167679016 /nfs/dbraw/zinc/67/90/16/167679016.db2.gz SVRHERVYJUDZIQ-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@H]1O[C@@H]1c1ccccc1 5923527 167700576 /nfs/dbraw/zinc/70/05/76/167700576.db2.gz BAFMBHJRYJBYQD-NXEZZACHSA-N 0 0 148.205 2.537 10 30 AFEERN CC[C@H]1O[C@H]1c1ccccc1 5923494 167700692 /nfs/dbraw/zinc/70/06/92/167700692.db2.gz BAFMBHJRYJBYQD-ZJUUUORDSA-N 0 0 148.205 2.537 10 30 AFEERN CC[C@](C)(C#N)Nc1ccc(F)cc1 37935901 167702647 /nfs/dbraw/zinc/70/26/47/167702647.db2.gz VRTOLAYTVJKHNM-LLVKDONJSA-N 0 0 192.237 2.930 10 30 AFEERN CC[C@](C)(C#N)NCc1cccs1 37939727 167703341 /nfs/dbraw/zinc/70/33/41/167703341.db2.gz PILBFMPVJKBOCT-SNVBAGLBSA-N 0 0 194.303 2.530 10 30 AFEERN CCc1cc(CC)cc(CC#N)c1 44370728 167725980 /nfs/dbraw/zinc/72/59/80/167725980.db2.gz DPFDCSRLEBMYQG-UHFFFAOYSA-N 0 0 173.259 2.877 10 30 AFEERN CCc1ccc(C#N)cc1OC1CC1 95722768 167732161 /nfs/dbraw/zinc/73/21/61/167732161.db2.gz SLQLFRDIGUVIEC-UHFFFAOYSA-N 0 0 187.242 2.662 10 30 AFEERN CCc1ccc([C@H](C#N)CC#N)cc1 41202647 167741525 /nfs/dbraw/zinc/74/15/25/167741525.db2.gz AMFPARFPOQIMLX-LBPRGKRZSA-N 0 0 184.242 2.770 10 30 AFEERN CCc1ccc([C@H](C=O)CC)cc1 32006900 167742269 /nfs/dbraw/zinc/74/22/69/167742269.db2.gz LYVXYBCQGMNZRL-NSHDSACASA-N 0 0 176.259 2.942 10 30 AFEERN CCc1ccc2c(CC#N)c[nH]c2c1 35635637 167743808 /nfs/dbraw/zinc/74/38/08/167743808.db2.gz MHGDUIHBDDQLGO-UHFFFAOYSA-N 0 0 184.242 2.796 10 30 AFEERN CCc1ccc([C@H]2O[C@H]2C)cc1 37224320 167743851 /nfs/dbraw/zinc/74/38/51/167743851.db2.gz AOTVDYPAAKMGNK-KWQFWETISA-N 0 0 162.232 2.709 10 30 AFEERN CCc1ccc([C@H]2O[C@@H]2C)cc1 37224322 167744530 /nfs/dbraw/zinc/74/45/30/167744530.db2.gz AOTVDYPAAKMGNK-KCJUWKMLSA-N 0 0 162.232 2.709 10 30 AFEERN CCc1ccc([C@H]2C[C@@H]2C=O)cc1 75422183 167744690 /nfs/dbraw/zinc/74/46/90/167744690.db2.gz QXKHOSXGPYCBFS-VXGBXAGGSA-N 0 0 174.243 2.551 10 30 AFEERN CCc1ccc([C@H]2C[C@H]2C=O)cc1 75422185 167744743 /nfs/dbraw/zinc/74/47/43/167744743.db2.gz QXKHOSXGPYCBFS-NWDGAFQWSA-N 0 0 174.243 2.551 10 30 AFEERN CCc1ccc([C@H]2C[C@H]2C#N)cc1 41168428 167744997 /nfs/dbraw/zinc/74/49/97/167744997.db2.gz SVRDKUUIESSJGG-NWDGAFQWSA-N 0 0 171.243 2.876 10 30 AFEERN CCc1ccc2c(c1)[C@@H](C#N)CCO2 41203912 167745136 /nfs/dbraw/zinc/74/51/36/167745136.db2.gz CXIQLEZGKYCHHO-SNVBAGLBSA-N 0 0 187.242 2.639 10 30 AFEERN CCc1ccc2[nH]c(C)c(C#N)c2c1 82588063 167745671 /nfs/dbraw/zinc/74/56/71/167745671.db2.gz MORSCCZOLDRVJP-UHFFFAOYSA-N 0 0 184.242 2.910 10 30 AFEERN CCc1ccc2ncc(C#N)cc2c1 49805754 167746972 /nfs/dbraw/zinc/74/69/72/167746972.db2.gz KRDKVQMTQFACJT-UHFFFAOYSA-N 0 0 182.226 2.669 10 30 AFEERN CCc1cccc(C#N)c1OC1CC1 95726722 167748410 /nfs/dbraw/zinc/74/84/10/167748410.db2.gz KKEBOZDDXIHVJZ-UHFFFAOYSA-N 0 0 187.242 2.662 10 30 AFEERN CCc1cccc(N[C@@H](C)CC#N)c1 37871275 167748913 /nfs/dbraw/zinc/74/89/13/167748913.db2.gz IOOWAODQLWQHMA-JTQLQIEISA-N 0 0 188.274 2.963 10 30 AFEERN CCc1cccc(CC)c1NCC#N 51787623 167749039 /nfs/dbraw/zinc/74/90/39/167749039.db2.gz UBEMZHALUKRWGL-UHFFFAOYSA-N 0 0 188.274 2.747 10 30 AFEERN CCc1cccc(O[C@@H](C#N)CC)c1 43557149 167749390 /nfs/dbraw/zinc/74/93/90/167749390.db2.gz KDESFYIQNRIKJN-LLVKDONJSA-N 0 0 189.258 2.930 10 30 AFEERN CCc1cccc(OCCCC#N)c1 19517621 167751434 /nfs/dbraw/zinc/75/14/34/167751434.db2.gz VYVSTMGYCUMOCO-UHFFFAOYSA-N 0 0 189.258 2.932 10 30 AFEERN CCc1ccccc1NC[C@@H](C)C#N 32008153 167751647 /nfs/dbraw/zinc/75/16/47/167751647.db2.gz VMFKALZCLRSFHG-JTQLQIEISA-N 0 0 188.274 2.821 10 30 AFEERN CCc1ccccc1N[C@@H](C#N)CC 43539303 167751921 /nfs/dbraw/zinc/75/19/21/167751921.db2.gz SKWYANLXVOWKKB-LLVKDONJSA-N 0 0 188.274 2.963 10 30 AFEERN CCc1cccc2c1OCC[C@H]2C#N 41203916 167752325 /nfs/dbraw/zinc/75/23/25/167752325.db2.gz IBUWDYYKHXPZMZ-JTQLQIEISA-N 0 0 187.242 2.639 10 30 AFEERN CCc1cccc2c1NC[C@H]2CC#N 71487058 167752653 /nfs/dbraw/zinc/75/26/53/167752653.db2.gz BEZAAXAFEDOBDW-SNVBAGLBSA-N 0 0 186.258 2.672 10 30 AFEERN CCc1ccccc1O[C@H](C#N)CC 43557296 167754026 /nfs/dbraw/zinc/75/40/26/167754026.db2.gz CBPINEVTGBRMPH-NSHDSACASA-N 0 0 189.258 2.930 10 30 AFEERN CNC1(C#N)CCC(C(C)(C)C)CC1 20378203 167982038 /nfs/dbraw/zinc/98/20/38/167982038.db2.gz CTYAURCHRNWYBM-UHFFFAOYSA-N 0 0 194.322 2.704 10 30 AFEERN C#C[C@H](C)Nc1ccccc1Cl 135065374 343954460 /nfs/dbraw/zinc/95/44/60/343954460.db2.gz CBERUJCUZUFROI-QMMMGPOBSA-N 0 0 179.650 2.774 10 30 AFEERN CN[C@@H](C#N)c1ccc(C(C)C)cc1 20174337 168028392 /nfs/dbraw/zinc/02/83/92/168028392.db2.gz WUWKDHSIJOOTHS-LBPRGKRZSA-N 0 0 188.274 2.594 10 30 AFEERN CN[C@@H](C#N)c1ccc2ccccc2c1 20378541 168028509 /nfs/dbraw/zinc/02/85/09/168028509.db2.gz PFHHPRPKNCNGRO-ZDUSSCGKSA-N 0 0 196.253 2.624 10 30 AFEERN CC[C@@H](CC#N)Nc1ccccc1C#N 36679659 167502383 /nfs/dbraw/zinc/50/23/83/167502383.db2.gz DNFDMUFUQKCHMC-NSHDSACASA-N 0 0 199.257 2.662 10 30 AFEERN CC[C@@H](CC#N)Nc1ccccc1 36678298 167503553 /nfs/dbraw/zinc/50/35/53/167503553.db2.gz CZJOEFPNVBKFJG-JTQLQIEISA-N 0 0 174.247 2.791 10 30 AFEERN CC[C@@H](CC#N)Nc1ccccc1F 36679735 167504153 /nfs/dbraw/zinc/50/41/53/167504153.db2.gz ZTWGTJSHPYFUBY-VIFPVBQESA-N 0 0 192.237 2.930 10 30 AFEERN CC[C@@H](CC#N)Sc1nccs1 40676806 167504561 /nfs/dbraw/zinc/50/45/61/167504561.db2.gz GZNRMEIFJNMVDD-ZETCQYMHSA-N 0 0 198.316 2.927 10 30 AFEERN CN[C@@]1(C#N)CCCC[C@H]1C(C)(C)C 96867815 168044586 /nfs/dbraw/zinc/04/45/86/168044586.db2.gz FAOONOFXCUQAOC-CMPLNLGQSA-N 0 0 194.322 2.704 10 30 AFEERN CN[C@@]1(C#N)CCCC[C@@H]1C(C)(C)C 96867816 168045989 /nfs/dbraw/zinc/04/59/89/168045989.db2.gz FAOONOFXCUQAOC-ZYHUDNBSSA-N 0 0 194.322 2.704 10 30 AFEERN CN[C@H](C#N)c1ccc(C(C)C)cc1 20174340 168047458 /nfs/dbraw/zinc/04/74/58/168047458.db2.gz WUWKDHSIJOOTHS-GFCCVEGCSA-N 0 0 188.274 2.594 10 30 AFEERN CN[C@H](C#N)c1ccc2ccccc2c1 20378544 168047531 /nfs/dbraw/zinc/04/75/31/168047531.db2.gz PFHHPRPKNCNGRO-CYBMUJFWSA-N 0 0 196.253 2.624 10 30 AFEERN CN[C@]1(C#N)C[C@@H](C)CC[C@@H]1C(C)C 20378343 168060904 /nfs/dbraw/zinc/06/09/04/168060904.db2.gz OGANNINVFLBCDP-TUAOUCFPSA-N 0 0 194.322 2.560 10 30 AFEERN CN[C@]1(C#N)CCCC[C@@H]1C(C)(C)C 96867814 168061291 /nfs/dbraw/zinc/06/12/91/168061291.db2.gz FAOONOFXCUQAOC-PWSUYJOCSA-N 0 0 194.322 2.704 10 30 AFEERN CN[C@]1(C#N)C[C@H](C)CC[C@@H]1C(C)C 20378351 168061415 /nfs/dbraw/zinc/06/14/15/168061415.db2.gz OGANNINVFLBCDP-UTUOFQBUSA-N 0 0 194.322 2.560 10 30 AFEERN CN[C@]1(C#N)CCCC[C@H]1C(C)(C)C 96867813 168062062 /nfs/dbraw/zinc/06/20/62/168062062.db2.gz FAOONOFXCUQAOC-JQWIXIFHSA-N 0 0 194.322 2.704 10 30 AFEERN CO/C(C)=N/[C@@H]1C[C@@H]1c1ccccc1 222059970 168074230 /nfs/dbraw/zinc/07/42/30/168074230.db2.gz VLPYHMYUTDSDIA-AJGRILASSA-N 0 0 189.258 2.607 10 30 AFEERN CO/C(C)=N/[C@H]1C[C@@H]1c1ccccc1 222060046 168074324 /nfs/dbraw/zinc/07/43/24/168074324.db2.gz VLPYHMYUTDSDIA-LZEMIWRJSA-N 0 0 189.258 2.607 10 30 AFEERN CO/C=N\c1ccc(C)cc1C 38530092 168075417 /nfs/dbraw/zinc/07/54/17/168075417.db2.gz XXRAHZJRJDUZDR-XFFZJAGNSA-N 0 0 163.220 2.610 10 30 AFEERN CO/N=C(/C)c1ccc(Cl)cc1 85472181 168075762 /nfs/dbraw/zinc/07/57/62/168075762.db2.gz DJJNNRDIXWZGPE-XFFZJAGNSA-N 0 0 183.638 2.710 10 30 AFEERN CO/C=N/c1ccc(C)cc1C 100374519 168075811 /nfs/dbraw/zinc/07/58/11/168075811.db2.gz XXRAHZJRJDUZDR-YRNVUSSQSA-N 0 0 163.220 2.610 10 30 AFEERN COC(=O)C#CCCC1CCCCC1 35904675 168079537 /nfs/dbraw/zinc/07/95/37/168079537.db2.gz ZQBXLDPVMBIAMQ-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#C[C@H](C)Nc1c(C)cccc1F 135238651 343957935 /nfs/dbraw/zinc/95/79/35/343957935.db2.gz FLOQCOASYLYOSI-VIFPVBQESA-N 0 0 177.222 2.568 10 30 AFEERN C[C@@H](C#N)Nc1c(F)cccc1Cl 135248708 343957943 /nfs/dbraw/zinc/95/79/43/343957943.db2.gz LOKMLWXBFZHMDH-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C#C[C@H](C)Nc1c(F)cccc1Cl 135247894 343957947 /nfs/dbraw/zinc/95/79/47/343957947.db2.gz JPRSMQASPYKMJH-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](C)Nc1c(F)cccc1Cl 135247916 343957952 /nfs/dbraw/zinc/95/79/52/343957952.db2.gz JPRSMQASPYKMJH-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](C)Nc1c(C)cccc1F 135238664 343957967 /nfs/dbraw/zinc/95/79/67/343957967.db2.gz FLOQCOASYLYOSI-SECBINFHSA-N 0 0 177.222 2.568 10 30 AFEERN Cc1cccc(F)c1N[C@@H](C)CC#N 135238558 343957973 /nfs/dbraw/zinc/95/79/73/343957973.db2.gz WXJMVHYEQHJLLW-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN CC(C)=CC(=O)c1cc(C)ccc1N 135353854 343959588 /nfs/dbraw/zinc/95/95/88/343959588.db2.gz SOOHUZMTWFRZPC-UHFFFAOYSA-N 0 0 189.258 2.726 10 30 AFEERN COC(C)(C)CCC[C@H](C)[C@H]1CO1 6020547 168138525 /nfs/dbraw/zinc/13/85/25/168138525.db2.gz MHVFOTUBLLMFMY-VHSXEESVSA-N 0 0 186.295 2.617 10 30 AFEERN COC(C)(C)CCC[C@@H](C)[C@@H]1CO1 6036339 168139125 /nfs/dbraw/zinc/13/91/25/168139125.db2.gz MHVFOTUBLLMFMY-ZJUUUORDSA-N 0 0 186.295 2.617 10 30 AFEERN COC(C)(C)CCC[C@H](C)[C@@H]1CO1 6020545 168139204 /nfs/dbraw/zinc/13/92/04/168139204.db2.gz MHVFOTUBLLMFMY-UWVGGRQHSA-N 0 0 186.295 2.617 10 30 AFEERN COC(C)(C)CCC[C@@H](C)[C@H]1CO1 6036342 168139528 /nfs/dbraw/zinc/13/95/28/168139528.db2.gz MHVFOTUBLLMFMY-NXEZZACHSA-N 0 0 186.295 2.617 10 30 AFEERN C#C[C@H](C)Nc1cccc(SC)c1 135159525 343955802 /nfs/dbraw/zinc/95/58/02/343955802.db2.gz IIYOXDBUYJIKAI-VIFPVBQESA-N 0 0 191.299 2.842 10 30 AFEERN C#C[C@H](C)Nc1ccc(C)c(F)c1 135163498 343956262 /nfs/dbraw/zinc/95/62/62/343956262.db2.gz HZKZRIXBWBOXAA-VIFPVBQESA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@@H](C)Nc1cc(C)ccc1F 135164916 343956263 /nfs/dbraw/zinc/95/62/63/343956263.db2.gz VRXPDSGKDSFHAY-SECBINFHSA-N 0 0 177.222 2.568 10 30 AFEERN COC1=C/C(=N\C(C)C)CCC1 39089594 168144939 /nfs/dbraw/zinc/14/49/39/168144939.db2.gz UQJKYVPGKHVKQP-LUAWRHEFSA-N 0 0 167.252 2.550 10 30 AFEERN C#C[C@H](C)Nc1cccc(C)c1C 135164098 343956340 /nfs/dbraw/zinc/95/63/40/343956340.db2.gz CXQCFPCSHQZCEC-JTQLQIEISA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@@H](C)Nc1ccc(CC)cc1 135163477 343956345 /nfs/dbraw/zinc/95/63/45/343956345.db2.gz WWLOGGGTSKDKCY-SNVBAGLBSA-N 0 0 173.259 2.683 10 30 AFEERN C=C(C)C(=O)c1ccc(Cl)c(N)c1 135404421 343961721 /nfs/dbraw/zinc/96/17/21/343961721.db2.gz PVTKDLPEASXGOR-UHFFFAOYSA-N 0 0 195.649 2.681 10 30 AFEERN CON=C(C)c1ccc(Cl)cc1 256113990 168200624 /nfs/dbraw/zinc/20/06/24/168200624.db2.gz DJJNNRDIXWZGPE-UHFFFAOYSA-N 0 0 183.638 2.710 10 30 AFEERN CO[C@@H](C)[C@@](C)(C#N)c1ccccc1 37627206 168204389 /nfs/dbraw/zinc/20/43/89/168204389.db2.gz HNQZYWKJOINXIW-CMPLNLGQSA-N 0 0 189.258 2.503 10 30 AFEERN CO[C@@H](C)[C@](C)(C#N)c1ccccc1 37627210 168204949 /nfs/dbraw/zinc/20/49/49/168204949.db2.gz HNQZYWKJOINXIW-JQWIXIFHSA-N 0 0 189.258 2.503 10 30 AFEERN CO[C@@H]1CCCCCCC/C1=N/O 100242373 168205650 /nfs/dbraw/zinc/20/56/50/168205650.db2.gz HQMZYBJCPXFMCA-QLWWJYNRSA-N 0 0 185.267 2.576 10 30 AFEERN CO[C@H](C)[C@@](C)(C#N)c1ccccc1 37627208 168213661 /nfs/dbraw/zinc/21/36/61/168213661.db2.gz HNQZYWKJOINXIW-ZYHUDNBSSA-N 0 0 189.258 2.503 10 30 AFEERN CO[C@H](C)[C@](C)(C#N)c1ccccc1 37627212 168213936 /nfs/dbraw/zinc/21/39/36/168213936.db2.gz HNQZYWKJOINXIW-PWSUYJOCSA-N 0 0 189.258 2.503 10 30 AFEERN CO[C@H]1CCCCCCC/C1=N/O 100242376 168214679 /nfs/dbraw/zinc/21/46/79/168214679.db2.gz HQMZYBJCPXFMCA-RGAIUGGKSA-N 0 0 185.267 2.576 10 30 AFEERN COc1c(C)cc(C)cc1CS 77270102 168222747 /nfs/dbraw/zinc/22/27/47/168222747.db2.gz SLNZINYNWJTIOG-UHFFFAOYSA-N 0 0 182.288 2.742 10 30 AFEERN COc1c(C)cc(C)cc1[C@]1(C)CO1 82530590 168222834 /nfs/dbraw/zinc/22/28/34/168222834.db2.gz WHKXEQYIBYLCSF-LBPRGKRZSA-N 0 0 192.258 2.557 10 30 AFEERN COc1c(C)cc([C@H]2CO2)c(C)c1C 71506112 168223057 /nfs/dbraw/zinc/22/30/57/168223057.db2.gz SQAXQIBZFDAXNP-LLVKDONJSA-N 0 0 192.258 2.692 10 30 AFEERN COc1c(C)cc(Cl)cc1CC#N 82530980 168223281 /nfs/dbraw/zinc/22/32/81/168223281.db2.gz BISVWXJTCRVRTR-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN COc1c(C)cc(C)cc1CCS 71507403 168223300 /nfs/dbraw/zinc/22/33/00/168223300.db2.gz LWDQZUIUZDXVCS-UHFFFAOYSA-N 0 0 196.315 2.784 10 30 AFEERN COc1c(C)cc([C@@H]2CO2)c(C)c1C 71506111 168223789 /nfs/dbraw/zinc/22/37/89/168223789.db2.gz SQAXQIBZFDAXNP-NSHDSACASA-N 0 0 192.258 2.692 10 30 AFEERN COc1c(C)cc(C)cc1[C@@]1(C)CO1 82530591 168223836 /nfs/dbraw/zinc/22/38/36/168223836.db2.gz WHKXEQYIBYLCSF-GFCCVEGCSA-N 0 0 192.258 2.557 10 30 AFEERN COc1c(C#N)ccc2sccc12 83277299 168223934 /nfs/dbraw/zinc/22/39/34/168223934.db2.gz WAMSTCLWFWJVHO-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN COc1c(CC#N)ccc2ccccc12 39233920 168224614 /nfs/dbraw/zinc/22/46/14/168224614.db2.gz SQYNWGFXHYGXRJ-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN COc1c(Cl)cc(F)cc1CC#N 44370052 168224618 /nfs/dbraw/zinc/22/46/18/168224618.db2.gz LMUKTJPIFKILGR-UHFFFAOYSA-N 0 0 199.612 2.554 10 30 AFEERN COc1c(F)cc(Cl)cc1CC#N 44370057 168225569 /nfs/dbraw/zinc/22/55/69/168225569.db2.gz KBJZYZWRGPKYQD-UHFFFAOYSA-N 0 0 199.612 2.554 10 30 AFEERN COc1cc(C#N)cc2ccccc12 39090141 168228073 /nfs/dbraw/zinc/22/80/73/168228073.db2.gz YNNPWDYXBWAHIR-UHFFFAOYSA-N 0 0 183.210 2.720 10 30 AFEERN COc1cc(C)c(C)cc1CCC#N 82530238 168228438 /nfs/dbraw/zinc/22/84/38/168228438.db2.gz JGXKZSQOTJTELF-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN COc1cc(C(C)C)ccc1C#N 82587774 168228618 /nfs/dbraw/zinc/22/86/18/168228618.db2.gz NJSVYOHSGLCTIS-UHFFFAOYSA-N 0 0 175.231 2.690 10 30 AFEERN COc1cc(C)c(C)cc1[C@@]1(C)CO1 36156742 168228749 /nfs/dbraw/zinc/22/87/49/168228749.db2.gz ZLRGHTUGZWMJDN-GFCCVEGCSA-N 0 0 192.258 2.557 10 30 AFEERN COc1cc(C)c(C)cc1[C@@H](C)C#N 41204621 168228822 /nfs/dbraw/zinc/22/88/22/168228822.db2.gz BGHWGKCJAXIMAB-JTQLQIEISA-N 0 0 189.258 2.939 10 30 AFEERN COc1cc(C)c(C#N)cc1C(C)C 62520548 168228823 /nfs/dbraw/zinc/22/88/23/168228823.db2.gz FRRYBCUVQGLNCS-UHFFFAOYSA-N 0 0 189.258 2.999 10 30 AFEERN COc1cc(C)c(C)cc1CS 77270078 168228924 /nfs/dbraw/zinc/22/89/24/168228924.db2.gz YBHWQTQMAAJABM-UHFFFAOYSA-N 0 0 182.288 2.742 10 30 AFEERN COc1cc(C(C)C)ccc1[C@H]1CO1 71506114 168229072 /nfs/dbraw/zinc/22/90/72/168229072.db2.gz YFJRFSIHZAHKFN-GFCCVEGCSA-N 0 0 192.258 2.890 10 30 AFEERN COc1cc(C)c(C#N)cc1Cl 82588028 168229080 /nfs/dbraw/zinc/22/90/80/168229080.db2.gz CMSHUPQHXOHGFX-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN COc1cc(C)c(CC#N)cc1Cl 82530978 168229090 /nfs/dbraw/zinc/22/90/90/168229090.db2.gz GWRRFFLUVFXEEF-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN COc1cc(C(C)C)ccc1[C@@H]1CO1 71506113 168229104 /nfs/dbraw/zinc/22/91/04/168229104.db2.gz YFJRFSIHZAHKFN-LBPRGKRZSA-N 0 0 192.258 2.890 10 30 AFEERN COc1cc(C)c(C)cc1[C@H](C)C#N 41204623 168229246 /nfs/dbraw/zinc/22/92/46/168229246.db2.gz BGHWGKCJAXIMAB-SNVBAGLBSA-N 0 0 189.258 2.939 10 30 AFEERN COc1cc(C)c(C)cc1CCS 57937631 168229281 /nfs/dbraw/zinc/22/92/81/168229281.db2.gz OKZFZKUWDMPLMT-UHFFFAOYSA-N 0 0 196.315 2.784 10 30 AFEERN COc1cc(C)c(C)cc1[C@H](C)C=O 36156738 168229437 /nfs/dbraw/zinc/22/94/37/168229437.db2.gz MWNKBYUPGKSXMS-SNVBAGLBSA-N 0 0 192.258 2.614 10 30 AFEERN COc1cc(C(C)(C)C#N)ccc1C 37934418 168229445 /nfs/dbraw/zinc/22/94/45/168229445.db2.gz NSQGBPZTNVTSNE-UHFFFAOYSA-N 0 0 189.258 2.805 10 30 AFEERN COc1cc(C)c(C)cc1[C@@H](C)C=O 36156736 168229468 /nfs/dbraw/zinc/22/94/68/168229468.db2.gz MWNKBYUPGKSXMS-JTQLQIEISA-N 0 0 192.258 2.614 10 30 AFEERN COc1cc(C(C)C)ccc1CC#N 82530245 168229518 /nfs/dbraw/zinc/22/95/18/168229518.db2.gz SWNQYPKSRVLKIF-UHFFFAOYSA-N 0 0 189.258 2.885 10 30 AFEERN COc1cc(C)c(C)cc1[C@]1(C)CO1 36156740 168229615 /nfs/dbraw/zinc/22/96/15/168229615.db2.gz ZLRGHTUGZWMJDN-LBPRGKRZSA-N 0 0 192.258 2.557 10 30 AFEERN COc1cc(C)c([C@]2(C)CO2)c(C)c1 36156757 168229795 /nfs/dbraw/zinc/22/97/95/168229795.db2.gz HENLOAYAXNNIGB-LBPRGKRZSA-N 0 0 192.258 2.557 10 30 AFEERN COc1cc(C)cc(C)c1[C@]1(C)CO1 82530595 168229867 /nfs/dbraw/zinc/22/98/67/168229867.db2.gz FOIDAYWBTJLRCQ-LBPRGKRZSA-N 0 0 192.258 2.557 10 30 AFEERN COc1cc(C)c([C@@H](C)C=O)c(C)c1 36156754 168230015 /nfs/dbraw/zinc/23/00/15/168230015.db2.gz WWJCIKJOUQJXRO-JTQLQIEISA-N 0 0 192.258 2.614 10 30 AFEERN COc1cc(C)cc(C)c1CS 77270111 168230033 /nfs/dbraw/zinc/23/00/33/168230033.db2.gz ZLGLIIFCPVSLOH-UHFFFAOYSA-N 0 0 182.288 2.742 10 30 AFEERN COc1cc(C)c(CCS)cc1C 57937633 168230101 /nfs/dbraw/zinc/23/01/01/168230101.db2.gz PEPFJBHOMPSMHF-UHFFFAOYSA-N 0 0 196.315 2.784 10 30 AFEERN COc1cc(C)c(Cl)cc1CC#N 82530977 168230231 /nfs/dbraw/zinc/23/02/31/168230231.db2.gz NCPGCCKVODKJSY-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN COc1cc(C)c(CS)cc1C 77270083 168230297 /nfs/dbraw/zinc/23/02/97/168230297.db2.gz NVYYGUQROKVCQE-UHFFFAOYSA-N 0 0 182.288 2.742 10 30 AFEERN COc1cc(C)cc(C)c1CCS 83266671 168230404 /nfs/dbraw/zinc/23/04/04/168230404.db2.gz IMKRFQQZHAOPJG-UHFFFAOYSA-N 0 0 196.315 2.784 10 30 AFEERN COc1cc(C)c([C@]2(C)CO2)cc1C 36156747 168230603 /nfs/dbraw/zinc/23/06/03/168230603.db2.gz UKYBXCXVKCOTIU-LBPRGKRZSA-N 0 0 192.258 2.557 10 30 AFEERN COc1cc(C)c([C@H](C)C=O)c(C)c1 36156755 168230975 /nfs/dbraw/zinc/23/09/75/168230975.db2.gz WWJCIKJOUQJXRO-SNVBAGLBSA-N 0 0 192.258 2.614 10 30 AFEERN COc1cc(C)c([C@@]2(C)CO2)cc1C 36156750 168230997 /nfs/dbraw/zinc/23/09/97/168230997.db2.gz UKYBXCXVKCOTIU-GFCCVEGCSA-N 0 0 192.258 2.557 10 30 AFEERN COc1cc(C)c([C@@]2(C)CO2)c(C)c1 36156758 168231145 /nfs/dbraw/zinc/23/11/45/168231145.db2.gz HENLOAYAXNNIGB-GFCCVEGCSA-N 0 0 192.258 2.557 10 30 AFEERN COc1cc(C)c([C@@H](C)C#N)cc1C 41204625 168231152 /nfs/dbraw/zinc/23/11/52/168231152.db2.gz YVETWHNWZAJZQG-JTQLQIEISA-N 0 0 189.258 2.939 10 30 AFEERN COc1cc(C)c([C@H](C)C#N)cc1C 41204627 168231285 /nfs/dbraw/zinc/23/12/85/168231285.db2.gz YVETWHNWZAJZQG-SNVBAGLBSA-N 0 0 189.258 2.939 10 30 AFEERN COc1cc(C)c([C@@H](C)C=O)cc1C 36156744 168231341 /nfs/dbraw/zinc/23/13/41/168231341.db2.gz BDVSTIDDAFVBLR-JTQLQIEISA-N 0 0 192.258 2.614 10 30 AFEERN COc1cc(C)cc(C)c1[C@@]1(C)CO1 82530596 168231358 /nfs/dbraw/zinc/23/13/58/168231358.db2.gz FOIDAYWBTJLRCQ-GFCCVEGCSA-N 0 0 192.258 2.557 10 30 AFEERN COc1cc(C)c([C@H](C)C=O)cc1C 36156745 168231477 /nfs/dbraw/zinc/23/14/77/168231477.db2.gz BDVSTIDDAFVBLR-SNVBAGLBSA-N 0 0 192.258 2.614 10 30 AFEERN COc1cc(CC#N)c2occc2c1 39090286 168232209 /nfs/dbraw/zinc/23/22/09/168232209.db2.gz OQLOIJCZPRZAMC-UHFFFAOYSA-N 0 0 187.198 2.507 10 30 AFEERN COc1cc(CC#N)c(F)cc1Cl 44370707 168233189 /nfs/dbraw/zinc/23/31/89/168233189.db2.gz SCRNPAQKJRATEO-UHFFFAOYSA-N 0 0 199.612 2.554 10 30 AFEERN COc1cc2c(cc1C)CC[C@H]2C#N 39090281 168241210 /nfs/dbraw/zinc/24/12/10/168241210.db2.gz OXTZUIXSTOUYGD-JTQLQIEISA-N 0 0 187.242 2.557 10 30 AFEERN COc1cc2c(cc1C)C(=O)C(C)=C2 104836149 168241302 /nfs/dbraw/zinc/24/13/02/168241302.db2.gz WREZBRCWJKZPMN-UHFFFAOYSA-N 0 0 188.226 2.603 10 30 AFEERN COc1cc2c(cc1C)CC[C@@H]2C#N 39090282 168241522 /nfs/dbraw/zinc/24/15/22/168241522.db2.gz OXTZUIXSTOUYGD-SNVBAGLBSA-N 0 0 187.242 2.557 10 30 AFEERN COc1ccc(/C(C)=N/O)cc1Cl 41210067 168242389 /nfs/dbraw/zinc/24/23/89/168242389.db2.gz WRRZMKSSXYXOOT-IZZDOVSWSA-N 0 0 199.637 2.547 10 30 AFEERN COc1ccc(/C(=N/O)C(C)C)cc1 136539 168242802 /nfs/dbraw/zinc/24/28/02/168242802.db2.gz LBKDMEZJBOEHEE-VAWYXSNFSA-N 0 0 193.246 2.530 10 30 AFEERN COc1ccc(/C=C/CC#N)cc1 39424452 168243165 /nfs/dbraw/zinc/24/31/65/168243165.db2.gz WKFVXSADLCGFDV-DUXPYHPUSA-N 0 0 173.215 2.622 10 30 AFEERN COc1ccc(C#N)c(C(C)(C)C)c1 39957275 168244012 /nfs/dbraw/zinc/24/40/12/168244012.db2.gz OZXDRCNAWADZGO-UHFFFAOYSA-N 0 0 189.258 2.864 10 30 AFEERN COc1ccc(/N=C\C2CC2)cc1 39089906 168244130 /nfs/dbraw/zinc/24/41/30/168244130.db2.gz DHAOKWFNAHQRHN-WQLSENKSSA-N 0 0 175.231 2.808 10 30 AFEERN COc1ccc(C#N)cc1C(C)C 41199180 168244654 /nfs/dbraw/zinc/24/46/54/168244654.db2.gz JHKWMNDMZVSSBA-UHFFFAOYSA-N 0 0 175.231 2.690 10 30 AFEERN COc1ccc(C#N)c(C(C)C)c1 36202311 168244913 /nfs/dbraw/zinc/24/49/13/168244913.db2.gz MHKLELRESWOGOE-UHFFFAOYSA-N 0 0 175.231 2.690 10 30 AFEERN COc1ccc(C#N)c2ccsc12 82390894 168245096 /nfs/dbraw/zinc/24/50/96/168245096.db2.gz JLXWNDBSHHPNIB-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN COc1ccc(C(C)C)cc1[C@H]1CO1 41205909 168245537 /nfs/dbraw/zinc/24/55/37/168245537.db2.gz ZSEWCUKJBGNDIN-GFCCVEGCSA-N 0 0 192.258 2.890 10 30 AFEERN COc1ccc(C(C)C)cc1CC#N 41204581 168245609 /nfs/dbraw/zinc/24/56/09/168245609.db2.gz GZMZMUDZCBJABT-UHFFFAOYSA-N 0 0 189.258 2.885 10 30 AFEERN COc1ccc(C(C)(C)C#N)c(F)c1 39090450 168245657 /nfs/dbraw/zinc/24/56/57/168245657.db2.gz HVUUIRMIMFXUMJ-UHFFFAOYSA-N 0 0 193.221 2.635 10 30 AFEERN COc1ccc(C(C)(C)C#N)cc1C 41204690 168245818 /nfs/dbraw/zinc/24/58/18/168245818.db2.gz GWUKKAAQGZIUPA-UHFFFAOYSA-N 0 0 189.258 2.805 10 30 AFEERN COc1ccc(C(C)(C)C#N)cc1F 41206179 168246458 /nfs/dbraw/zinc/24/64/58/168246458.db2.gz WIFOOJXCPFJBKK-UHFFFAOYSA-N 0 0 193.221 2.635 10 30 AFEERN COc1ccc(C(C)C)cc1[C@@H]1CO1 41205908 168246690 /nfs/dbraw/zinc/24/66/90/168246690.db2.gz ZSEWCUKJBGNDIN-LBPRGKRZSA-N 0 0 192.258 2.890 10 30 AFEERN COc1ccc(C)cc1[C@H](C)C#N 19728867 168247160 /nfs/dbraw/zinc/24/71/60/168247160.db2.gz BWMAPUPVMOINAO-SECBINFHSA-N 0 0 175.231 2.631 10 30 AFEERN COc1ccc(C)cc1C1(C#N)CC1 34940475 168247309 /nfs/dbraw/zinc/24/73/09/168247309.db2.gz QNOMICLUJXPMOZ-UHFFFAOYSA-N 0 0 187.242 2.559 10 30 AFEERN COc1ccc(C)cc1[C@@H](C)C#N 19728866 168247619 /nfs/dbraw/zinc/24/76/19/168247619.db2.gz BWMAPUPVMOINAO-VIFPVBQESA-N 0 0 175.231 2.631 10 30 AFEERN COc1ccc(C)cc1C(C)(C)C#N 37934399 168247630 /nfs/dbraw/zinc/24/76/30/168247630.db2.gz DUOJUFMBTUBBCZ-UHFFFAOYSA-N 0 0 189.258 2.805 10 30 AFEERN COc1ccc(C)cc1CCCC=O 19728732 168248319 /nfs/dbraw/zinc/24/83/19/168248319.db2.gz YAUBPMLLDMFGNQ-UHFFFAOYSA-N 0 0 192.258 2.525 10 30 AFEERN COc1ccc(CCS)c(C)c1C 71507404 168248992 /nfs/dbraw/zinc/24/89/92/168248992.db2.gz FEBOFTFUPVXJGL-UHFFFAOYSA-N 0 0 196.315 2.784 10 30 AFEERN COc1ccc(CCC#N)cc1Cl 36203981 168249108 /nfs/dbraw/zinc/24/91/08/168249108.db2.gz DHURPDQDYODKER-UHFFFAOYSA-N 0 0 195.649 2.805 10 30 AFEERN COc1ccc(CCC#N)c(Cl)c1 82530981 168249372 /nfs/dbraw/zinc/24/93/72/168249372.db2.gz SUPIVLPOIUKBGO-UHFFFAOYSA-N 0 0 195.649 2.805 10 30 AFEERN COc1ccc(CCCCC=O)cc1 34133051 168249889 /nfs/dbraw/zinc/24/98/89/168249889.db2.gz NOVCTEYUCHXVMM-UHFFFAOYSA-N 0 0 192.258 2.607 10 30 AFEERN COc1ccc(CC#N)c2occc12 39090287 168250111 /nfs/dbraw/zinc/25/01/11/168250111.db2.gz JVKVXJXVFZLUOC-UHFFFAOYSA-N 0 0 187.198 2.507 10 30 AFEERN COc1ccc(CS)c(Cl)c1 77274301 168251063 /nfs/dbraw/zinc/25/10/63/168251063.db2.gz WNRZZMBEORNQMB-UHFFFAOYSA-N 0 0 188.679 2.778 10 30 AFEERN C=CCn1cc2c(c1)C(=O)CCCC2 135379666 343960607 /nfs/dbraw/zinc/96/06/07/343960607.db2.gz NKBISJBBRHGODE-UHFFFAOYSA-N 0 0 189.258 2.583 10 30 AFEERN COc1ccc(CS)c(C)c1C 77270106 168251828 /nfs/dbraw/zinc/25/18/28/168251828.db2.gz KFBDGDDRTGIFJY-UHFFFAOYSA-N 0 0 182.288 2.742 10 30 AFEERN COc1ccc(Cl)cc1/C(C)=N/O 16844214 168252078 /nfs/dbraw/zinc/25/20/78/168252078.db2.gz XXQVEHGKBHMELO-IZZDOVSWSA-N 0 0 199.637 2.547 10 30 AFEERN COc1ccc(Cl)cc1[C@@H](C)C=O 36157173 168252166 /nfs/dbraw/zinc/25/21/66/168252166.db2.gz AZXTZHVTXLQKGQ-ZETCQYMHSA-N 0 0 198.649 2.651 10 30 AFEERN COc1ccc(F)cc1C(C)(C)C#N 57488801 168252589 /nfs/dbraw/zinc/25/25/89/168252589.db2.gz YQSWUZTXRHSSAC-UHFFFAOYSA-N 0 0 193.221 2.635 10 30 AFEERN COc1ccc(Cl)cc1[C@H](C)C=O 36157176 168252658 /nfs/dbraw/zinc/25/26/58/168252658.db2.gz AZXTZHVTXLQKGQ-SSDOTTSWSA-N 0 0 198.649 2.651 10 30 AFEERN COc1ccc(Cl)cc1[C@@H](C)C#N 41207192 168253114 /nfs/dbraw/zinc/25/31/14/168253114.db2.gz QXHQWFMCFZLYEM-ZETCQYMHSA-N 0 0 195.649 2.976 10 30 AFEERN COc1ccc(Cl)cc1[C@H](C)C#N 41207193 168253333 /nfs/dbraw/zinc/25/33/33/168253333.db2.gz QXHQWFMCFZLYEM-SSDOTTSWSA-N 0 0 195.649 2.976 10 30 AFEERN COc1ccc(Cl)cc1CCC#N 48772617 168253405 /nfs/dbraw/zinc/25/34/05/168253405.db2.gz BPJJUZHQMZXYTF-UHFFFAOYSA-N 0 0 195.649 2.805 10 30 AFEERN COc1ccc([C@@H](C)C=O)cc1Cl 36157161 168255805 /nfs/dbraw/zinc/25/58/05/168255805.db2.gz NSDAVRRNQDYDHC-ZETCQYMHSA-N 0 0 198.649 2.651 10 30 AFEERN COc1ccc([C@@H](C#N)C(C)C)cc1 19728926 168256178 /nfs/dbraw/zinc/25/61/78/168256178.db2.gz CNBUXJALZYSKQJ-LBPRGKRZSA-N 0 0 189.258 2.958 10 30 AFEERN COc1ccc([C@@H](C#N)C2CC2)cc1 19728962 168256464 /nfs/dbraw/zinc/25/64/64/168256464.db2.gz RFHLHWAFBQVVNH-LBPRGKRZSA-N 0 0 187.242 2.712 10 30 AFEERN COc1ccc([C@@H](C)C#N)cc1Cl 41207190 168256679 /nfs/dbraw/zinc/25/66/79/168256679.db2.gz KHKHXTKQBRLGQB-ZETCQYMHSA-N 0 0 195.649 2.976 10 30 AFEERN COc1ccc([C@@H](C)C#N)cc1C 19728864 168256996 /nfs/dbraw/zinc/25/69/96/168256996.db2.gz CRZPAWHTBXESSQ-VIFPVBQESA-N 0 0 175.231 2.631 10 30 AFEERN COc1ccc([C@@]2(C)CO2)c(C)c1C 82530593 168257669 /nfs/dbraw/zinc/25/76/69/168257669.db2.gz YMVRIESWAKGJJP-GFCCVEGCSA-N 0 0 192.258 2.557 10 30 AFEERN COc1ccc([C@@H](C=O)C(C)C)cc1 32008542 168257702 /nfs/dbraw/zinc/25/77/02/168257702.db2.gz BIAJCZYNUVIFIG-LBPRGKRZSA-N 0 0 192.258 2.634 10 30 AFEERN COc1ccc([C@@H]2CO2)cc1C(C)C 41205906 168258446 /nfs/dbraw/zinc/25/84/46/168258446.db2.gz UWDWUTWCTROIEA-LBPRGKRZSA-N 0 0 192.258 2.890 10 30 AFEERN COc1ccc([C@H](C#N)C2CC2)cc1 19728963 168258787 /nfs/dbraw/zinc/25/87/87/168258787.db2.gz RFHLHWAFBQVVNH-GFCCVEGCSA-N 0 0 187.242 2.712 10 30 AFEERN COc1ccc([C@H](C)C#N)cc1Cl 41207191 168258956 /nfs/dbraw/zinc/25/89/56/168258956.db2.gz KHKHXTKQBRLGQB-SSDOTTSWSA-N 0 0 195.649 2.976 10 30 AFEERN COc1ccc([C@H](C=O)C(C)C)cc1 32008544 168258994 /nfs/dbraw/zinc/25/89/94/168258994.db2.gz BIAJCZYNUVIFIG-GFCCVEGCSA-N 0 0 192.258 2.634 10 30 AFEERN COc1ccc([C@H]2CO2)cc1C(C)C 41205907 168259270 /nfs/dbraw/zinc/25/92/70/168259270.db2.gz UWDWUTWCTROIEA-GFCCVEGCSA-N 0 0 192.258 2.890 10 30 AFEERN COc1ccc([C@H](C)C=O)cc1Cl 36157164 168260008 /nfs/dbraw/zinc/26/00/08/168260008.db2.gz NSDAVRRNQDYDHC-SSDOTTSWSA-N 0 0 198.649 2.651 10 30 AFEERN COc1ccc([C@H](C)C#N)cc1C 19728865 168260102 /nfs/dbraw/zinc/26/01/02/168260102.db2.gz CRZPAWHTBXESSQ-SECBINFHSA-N 0 0 175.231 2.631 10 30 AFEERN COc1ccc([C@H](C#N)C(C)C)cc1 19728927 168260115 /nfs/dbraw/zinc/26/01/15/168260115.db2.gz CNBUXJALZYSKQJ-GFCCVEGCSA-N 0 0 189.258 2.958 10 30 AFEERN COc1ccc([C@]2(C)CO2)c(C)c1C 82530592 168260614 /nfs/dbraw/zinc/26/06/14/168260614.db2.gz YMVRIESWAKGJJP-LBPRGKRZSA-N 0 0 192.258 2.557 10 30 AFEERN COc1ccc2c(c1)[C@H](C#N)C[C@@H]2C 41203940 168262822 /nfs/dbraw/zinc/26/28/22/168262822.db2.gz ZRMJEGRWYSGHGL-IUCAKERBSA-N 0 0 187.242 2.810 10 30 AFEERN COc1ccc2c(c1)[C@@H](C#N)C[C@H]2C 41203934 168262883 /nfs/dbraw/zinc/26/28/83/168262883.db2.gz ZRMJEGRWYSGHGL-RKDXNWHRSA-N 0 0 187.242 2.810 10 30 AFEERN COc1ccc2c(c1)[C@@H](CC#N)CC2 39378714 168263080 /nfs/dbraw/zinc/26/30/80/168263080.db2.gz LCBMTXZTEDATHA-SNVBAGLBSA-N 0 0 187.242 2.639 10 30 AFEERN COc1ccc2c(c1)[C@@H](C#N)C[C@@H]2C 41203936 168263466 /nfs/dbraw/zinc/26/34/66/168263466.db2.gz ZRMJEGRWYSGHGL-DTWKUNHWSA-N 0 0 187.242 2.810 10 30 AFEERN COc1ccc2c(c1)[C@@H](C#N)CCC2 34414326 168263516 /nfs/dbraw/zinc/26/35/16/168263516.db2.gz NSBDLVUYJQTWDA-SNVBAGLBSA-N 0 0 187.242 2.639 10 30 AFEERN COc1ccc2c(c1)[C@H](CC#N)CC2 39378713 168263591 /nfs/dbraw/zinc/26/35/91/168263591.db2.gz LCBMTXZTEDATHA-JTQLQIEISA-N 0 0 187.242 2.639 10 30 AFEERN COc1ccc2c(c1)[C@H](C#N)C[C@H]2C 41203938 168263830 /nfs/dbraw/zinc/26/38/30/168263830.db2.gz ZRMJEGRWYSGHGL-BDAKNGLRSA-N 0 0 187.242 2.810 10 30 AFEERN COc1ccc2c(c1)[C@H](C#N)CCC2 34414324 168263898 /nfs/dbraw/zinc/26/38/98/168263898.db2.gz NSBDLVUYJQTWDA-JTQLQIEISA-N 0 0 187.242 2.639 10 30 AFEERN COc1ccc2cc(C#N)sc2c1 39616531 168264514 /nfs/dbraw/zinc/26/45/14/168264514.db2.gz LLMUULCPDPIINA-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN COc1cccc(-c2c[nH]cc2C#N)c1 104461641 168265758 /nfs/dbraw/zinc/26/57/58/168265758.db2.gz REDKIZXYXHVUHF-UHFFFAOYSA-N 0 0 198.225 2.562 10 30 AFEERN COc1ccc2occ(CC#N)c2c1 34611828 168265960 /nfs/dbraw/zinc/26/59/60/168265960.db2.gz WCDYHRBQWJFGAO-UHFFFAOYSA-N 0 0 187.198 2.507 10 30 AFEERN COc1cccc(CC(C)(C)C#N)c1 49804163 168267382 /nfs/dbraw/zinc/26/73/82/168267382.db2.gz INRZFXDRJUPHGO-UHFFFAOYSA-N 0 0 189.258 2.787 10 30 AFEERN COc1cccc(C#N)c1C(C)C 39104842 168268315 /nfs/dbraw/zinc/26/83/15/168268315.db2.gz XRWDUUFEQGNHCY-UHFFFAOYSA-N 0 0 175.231 2.690 10 30 AFEERN COc1cccc(C(C)(C)CC#N)c1 75579357 168268494 /nfs/dbraw/zinc/26/84/94/168268494.db2.gz HEOKUEDXCLBBKB-UHFFFAOYSA-N 0 0 189.258 2.886 10 30 AFEERN COc1cccc([C@@H](C#N)C(C)C)c1 34163911 168270715 /nfs/dbraw/zinc/27/07/15/168270715.db2.gz YKXJHASKLXDVGA-LBPRGKRZSA-N 0 0 189.258 2.958 10 30 AFEERN COc1cccc([C@@H](C=O)C(C)C)c1 41205903 168271413 /nfs/dbraw/zinc/27/14/13/168271413.db2.gz ZAYFPZGCJPLYGP-LBPRGKRZSA-N 0 0 192.258 2.634 10 30 AFEERN COc1cccc([C@H](C#N)C(C)C)c1 34163910 168272083 /nfs/dbraw/zinc/27/20/83/168272083.db2.gz YKXJHASKLXDVGA-GFCCVEGCSA-N 0 0 189.258 2.958 10 30 AFEERN COc1cccc([C@H](C=O)C(C)C)c1 41205902 168273236 /nfs/dbraw/zinc/27/32/36/168273236.db2.gz ZAYFPZGCJPLYGP-GFCCVEGCSA-N 0 0 192.258 2.634 10 30 AFEERN COc1cccc2c(CC#N)coc12 34611830 168274157 /nfs/dbraw/zinc/27/41/57/168274157.db2.gz HEGOPTQWHGBOHJ-UHFFFAOYSA-N 0 0 187.198 2.507 10 30 AFEERN COc1cccc2cc(C#N)sc12 39401086 168274976 /nfs/dbraw/zinc/27/49/76/168274976.db2.gz SXNJLXCKMOFGRY-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN COc1cccc2c1[C@H](C)C[C@H]2C#N 41203946 168275115 /nfs/dbraw/zinc/27/51/15/168275115.db2.gz VGVXTIOQKZEGMT-BDAKNGLRSA-N 0 0 187.242 2.810 10 30 AFEERN COc1cccc2oc(C#N)c(C)c12 1692590 168275149 /nfs/dbraw/zinc/27/51/49/168275149.db2.gz XTEJJMJUSMPONY-UHFFFAOYSA-N 0 0 187.198 2.622 10 30 AFEERN COc1cccc2cc(CC#N)ccc12 75599864 168275515 /nfs/dbraw/zinc/27/55/15/168275515.db2.gz PBXSLLQXRGMJHV-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN COc1cccc2cc(CC#N)oc12 71452888 168275519 /nfs/dbraw/zinc/27/55/19/168275519.db2.gz MGZRJKVWNPRSHP-UHFFFAOYSA-N 0 0 187.198 2.507 10 30 AFEERN COc1cccc2c1[C@H](C)C[C@@H]2C#N 41203942 168275701 /nfs/dbraw/zinc/27/57/01/168275701.db2.gz VGVXTIOQKZEGMT-RKDXNWHRSA-N 0 0 187.242 2.810 10 30 AFEERN COc1ccccc1-c1c[nH]cc1C#N 104461637 168276315 /nfs/dbraw/zinc/27/63/15/168276315.db2.gz XQVRAYQCZQDPJL-UHFFFAOYSA-N 0 0 198.225 2.562 10 30 AFEERN COc1cccc2c1[C@@H](C)C[C@H]2C#N 41203948 168276515 /nfs/dbraw/zinc/27/65/15/168276515.db2.gz VGVXTIOQKZEGMT-IUCAKERBSA-N 0 0 187.242 2.810 10 30 AFEERN COc1cccc2c1[C@@H](C)C[C@@H]2C#N 41203944 168276575 /nfs/dbraw/zinc/27/65/75/168276575.db2.gz VGVXTIOQKZEGMT-DTWKUNHWSA-N 0 0 187.242 2.810 10 30 AFEERN COc1ccccc1/C=C(/C)C(C)=O 1723275 168276885 /nfs/dbraw/zinc/27/68/85/168276885.db2.gz VRMHHUGKIZTMOO-HJWRWDBZSA-N 0 0 190.242 2.688 10 30 AFEERN COc1ccccc1/C(C)=C/C(C)=O 111855593 168276969 /nfs/dbraw/zinc/27/69/69/168276969.db2.gz HFOIGEQWKQUTEW-CMDGGOBGSA-N 0 0 190.242 2.688 10 30 AFEERN COc1ccccc1[C@H](C=O)C(C)C 32008548 168277522 /nfs/dbraw/zinc/27/75/22/168277522.db2.gz CAVRLGYMSDTLOW-LLVKDONJSA-N 0 0 192.258 2.634 10 30 AFEERN COc1ccccc1[C@H](C#N)C(C)C 41204563 168278773 /nfs/dbraw/zinc/27/87/73/168278773.db2.gz JLNNRZYUVLTFNK-LLVKDONJSA-N 0 0 189.258 2.958 10 30 AFEERN COc1ccsc1C(=O)C=C(C)C 34616399 168280303 /nfs/dbraw/zinc/28/03/03/168280303.db2.gz IKUBDDWJJMWWCI-UHFFFAOYSA-N 0 0 196.271 2.906 10 30 AFEERN CSC(=CC(=O)C1CC1)SC 114715371 168296587 /nfs/dbraw/zinc/29/65/87/168296587.db2.gz LEZWWRFRLBRKIY-UHFFFAOYSA-N 0 0 188.317 2.533 10 30 AFEERN CCC(C)(C)Nc1cccnc1C#N 135510481 343964682 /nfs/dbraw/zinc/96/46/82/343964682.db2.gz DCIOYLNNIXMJRF-UHFFFAOYSA-N 0 0 189.262 2.554 10 30 AFEERN CSCCCCCCS 32163306 168300831 /nfs/dbraw/zinc/30/08/31/168300831.db2.gz MCCWTNNEODFSQN-UHFFFAOYSA-N 0 0 164.339 2.840 10 30 AFEERN CSCc1ccc(CC#N)cc1 307177298 168304705 /nfs/dbraw/zinc/30/47/05/168304705.db2.gz HTWXMBZXSNOWPO-UHFFFAOYSA-N 0 0 177.272 2.616 10 30 AFEERN CS[C@@H]1CCCCC[C@@H]1C#N 38063650 168306024 /nfs/dbraw/zinc/30/60/24/168306024.db2.gz ZQRFXDFNSATYRN-RKDXNWHRSA-N 0 0 169.293 2.822 10 30 AFEERN CS[C@@H](C)/C(=N/O)c1ccccc1 173611 168306052 /nfs/dbraw/zinc/30/60/52/168306052.db2.gz VFIQXMWAJDVKDL-IZXMIOPHSA-N 0 0 195.287 2.616 10 30 AFEERN CS[C@@H]1CCCCC[C@H]1C#N 38063652 168306701 /nfs/dbraw/zinc/30/67/01/168306701.db2.gz ZQRFXDFNSATYRN-DTWKUNHWSA-N 0 0 169.293 2.822 10 30 AFEERN CS[C@H]1CCCCC[C@H]1C#N 38063653 168307441 /nfs/dbraw/zinc/30/74/41/168307441.db2.gz ZQRFXDFNSATYRN-IUCAKERBSA-N 0 0 169.293 2.822 10 30 AFEERN CS[C@H]1CCCCC[C@@H]1C#N 38063651 168307445 /nfs/dbraw/zinc/30/74/45/168307445.db2.gz ZQRFXDFNSATYRN-BDAKNGLRSA-N 0 0 169.293 2.822 10 30 AFEERN CS[C@@H]1C[C@H](C)CC[C@@H]1C#N 38063658 168307726 /nfs/dbraw/zinc/30/77/26/168307726.db2.gz PWYBYGSIODUCIY-IWSPIJDZSA-N 0 0 169.293 2.678 10 30 AFEERN CS[C@@](C)(C#N)Cc1ccccc1 62719962 168307908 /nfs/dbraw/zinc/30/79/08/168307908.db2.gz KDZYQGKGUAKXDN-LLVKDONJSA-N 0 0 191.299 2.874 10 30 AFEERN CS[C@H](C)/C(=N/O)c1ccccc1 4368239 168308131 /nfs/dbraw/zinc/30/81/31/168308131.db2.gz VFIQXMWAJDVKDL-OZEWEUHLSA-N 0 0 195.287 2.616 10 30 AFEERN CS[C@@H]1C[C@@H](C)CC[C@@H]1C#N 38063659 168308226 /nfs/dbraw/zinc/30/82/26/168308226.db2.gz PWYBYGSIODUCIY-DJLDLDEBSA-N 0 0 169.293 2.678 10 30 AFEERN CSc1c(F)cc(F)cc1C#N 75927487 168308803 /nfs/dbraw/zinc/30/88/03/168308803.db2.gz IIPDXHBGPUNJII-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CSc1c(F)ccc(F)c1C#N 75927477 168308827 /nfs/dbraw/zinc/30/88/27/168308827.db2.gz NZWILFAYZUPCGW-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CS[C@](C)(C#N)Cc1ccccc1 62719964 168309295 /nfs/dbraw/zinc/30/92/95/168309295.db2.gz KDZYQGKGUAKXDN-NSHDSACASA-N 0 0 191.299 2.874 10 30 AFEERN CSc1c(F)ccc(C#N)c1F 75927474 168309357 /nfs/dbraw/zinc/30/93/57/168309357.db2.gz MAMBPFDAQZIVRK-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CSc1c(F)cc(C#N)cc1F 75927486 168309587 /nfs/dbraw/zinc/30/95/87/168309587.db2.gz CAYYTTZRKZPRCS-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CSc1cc2ccccn2c1C#N 34263261 168309966 /nfs/dbraw/zinc/30/99/66/168309966.db2.gz QGJFRRIBFLKOGU-UHFFFAOYSA-N 0 0 188.255 2.533 10 30 AFEERN CSc1c(C#N)ccc(F)c1F 75927483 168310105 /nfs/dbraw/zinc/31/01/05/168310105.db2.gz DDCRSNHKPOCIKM-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CSc1ccc(N[C@H](C)C#N)cc1 43514152 168310415 /nfs/dbraw/zinc/31/04/15/168310415.db2.gz DXTJUEZXKBPRMB-MRVPVSSYSA-N 0 0 192.287 2.732 10 30 AFEERN CSc1ccc([C@@H]2C[C@H]2C=O)cc1 75422271 168310478 /nfs/dbraw/zinc/31/04/78/168310478.db2.gz YOCRMKBOQPSQAI-ONGXEEELSA-N 0 0 192.283 2.711 10 30 AFEERN CSc1ccc(F)c(CC#N)c1 75925790 168310667 /nfs/dbraw/zinc/31/06/67/168310667.db2.gz VXTWSIWQNFOQGK-UHFFFAOYSA-N 0 0 181.235 2.614 10 30 AFEERN CSc1ccc(F)c(C#N)c1F 75927480 168310719 /nfs/dbraw/zinc/31/07/19/168310719.db2.gz AKKMOAIXFWSKSE-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CSc1ccc([C@@]2(C)CO2)cc1 82529648 168310930 /nfs/dbraw/zinc/31/09/30/168310930.db2.gz UUEUTIFORSSNME-SNVBAGLBSA-N 0 0 180.272 2.654 10 30 AFEERN CSc1ccc(C)cc1C#N 71454298 168311113 /nfs/dbraw/zinc/31/11/13/168311113.db2.gz MJVPKVJGYKZWCY-UHFFFAOYSA-N 0 0 163.245 2.589 10 30 AFEERN CSc1ccc(CCC=O)cc1 60111329 168311135 /nfs/dbraw/zinc/31/11/35/168311135.db2.gz NCQMKURJHWPVOY-UHFFFAOYSA-N 0 0 180.272 2.540 10 30 AFEERN CSc1ccc(OCCC#N)cc1 70159234 168311170 /nfs/dbraw/zinc/31/11/70/168311170.db2.gz MXAZSIVWDAJAEP-UHFFFAOYSA-N 0 0 193.271 2.701 10 30 AFEERN CSc1ccc(N[C@@H](C)C#N)cc1 43514151 168311176 /nfs/dbraw/zinc/31/11/76/168311176.db2.gz DXTJUEZXKBPRMB-QMMMGPOBSA-N 0 0 192.287 2.732 10 30 AFEERN CSc1ccc(C/C(C)=N/O)cc1 49808498 168311286 /nfs/dbraw/zinc/31/12/86/168311286.db2.gz CGGJUVDVYNFDKQ-DHZHZOJOSA-N 0 0 195.287 2.801 10 30 AFEERN CSc1ccc([C@@H]2C[C@@H]2C=O)cc1 75422269 168311425 /nfs/dbraw/zinc/31/14/25/168311425.db2.gz YOCRMKBOQPSQAI-KOLCDFICSA-N 0 0 192.283 2.711 10 30 AFEERN CSc1ccsc1/C(C)=N/O 4085695 168312000 /nfs/dbraw/zinc/31/20/00/168312000.db2.gz IRNVTBHNALDBFS-VMPITWQZSA-N 0 0 187.289 2.668 10 30 AFEERN CSc1cccc(N[C@@H](C)C#N)c1 43514025 168312014 /nfs/dbraw/zinc/31/20/14/168312014.db2.gz XTIFMEVYXFXRHT-QMMMGPOBSA-N 0 0 192.287 2.732 10 30 AFEERN CSc1ccc([C@H]2C[C@@H]2C=O)cc1 75422270 168312032 /nfs/dbraw/zinc/31/20/32/168312032.db2.gz YOCRMKBOQPSQAI-MWLCHTKSSA-N 0 0 192.283 2.711 10 30 AFEERN CSc1cccc(N[C@H](C)C#N)c1 43514026 168312159 /nfs/dbraw/zinc/31/21/59/168312159.db2.gz XTIFMEVYXFXRHT-MRVPVSSYSA-N 0 0 192.287 2.732 10 30 AFEERN CSc1cccc(CC#N)c1F 75925794 168312354 /nfs/dbraw/zinc/31/23/54/168312354.db2.gz NNPCGYNHVVXDBP-UHFFFAOYSA-N 0 0 181.235 2.614 10 30 AFEERN CSc1ccc([C@]2(C)CO2)cc1 82529649 168312548 /nfs/dbraw/zinc/31/25/48/168312548.db2.gz UUEUTIFORSSNME-JTQLQIEISA-N 0 0 180.272 2.654 10 30 AFEERN CSc1ccsc1/C(C)=N\O 101013536 168312551 /nfs/dbraw/zinc/31/25/51/168312551.db2.gz IRNVTBHNALDBFS-YVMONPNESA-N 0 0 187.289 2.668 10 30 AFEERN CSc1ccccc1C(=O)CC#N 39296304 168312676 /nfs/dbraw/zinc/31/26/76/168312676.db2.gz IMHWWZHYZNLUPB-UHFFFAOYSA-N 0 0 191.255 2.505 10 30 AFEERN CSc1ccc([C@H]2C[C@H]2C=O)cc1 75422272 168312806 /nfs/dbraw/zinc/31/28/06/168312806.db2.gz YOCRMKBOQPSQAI-GXSJLCMTSA-N 0 0 192.283 2.711 10 30 AFEERN CSc1nc(C(C)C)ccc1C#N 90557004 168314812 /nfs/dbraw/zinc/31/48/12/168314812.db2.gz PNZYBXISCXHJTQ-UHFFFAOYSA-N 0 0 192.287 2.799 10 30 AFEERN CC1(Nc2ccc(C#N)c(F)c2)CC1 135572608 343965458 /nfs/dbraw/zinc/96/54/58/343965458.db2.gz NZLIOKXCIMUYJA-UHFFFAOYSA-N 0 0 190.221 2.662 10 30 AFEERN CSc1nsc(N=[N+]=[N-])c1C#N 205335324 168317280 /nfs/dbraw/zinc/31/72/80/168317280.db2.gz NUUYRODTCFAQDT-UHFFFAOYSA-N 0 0 197.248 2.678 10 30 AFEERN C[C@@H](C#N)C(=O)CC1CCCCC1 34975731 168317938 /nfs/dbraw/zinc/31/79/38/168317938.db2.gz ALGYCZNXOOXVOH-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN CSc1sc(C(C)=O)cc1C#N 82384961 168318515 /nfs/dbraw/zinc/31/85/15/168318515.db2.gz ZQZYROAJHYSJQL-UHFFFAOYSA-N 0 0 197.284 2.544 10 30 AFEERN C=C[C@@H](C)Nc1ccc(C#N)c(C)c1 135557218 343965461 /nfs/dbraw/zinc/96/54/61/343965461.db2.gz HBYKFFLQONUSDV-SNVBAGLBSA-N 0 0 186.258 2.853 10 30 AFEERN C[C@@H](C#N)CCc1ccccc1 37245465 168319254 /nfs/dbraw/zinc/31/92/54/168319254.db2.gz NMTJMXBJZJSGFM-SNVBAGLBSA-N 0 0 159.232 2.779 10 30 AFEERN C[C@@H](C#N)C(=O)c1ccc(Cl)cc1 34226851 168319741 /nfs/dbraw/zinc/31/97/41/168319741.db2.gz IDKINCLRNZKFSI-ZETCQYMHSA-N 0 0 193.633 2.682 10 30 AFEERN C[C@@H](C#N)C1CCCCC1 37367452 168319792 /nfs/dbraw/zinc/31/97/92/168319792.db2.gz TUYRLQIRJYXKMF-QMMMGPOBSA-N 0 0 137.226 2.726 10 30 AFEERN C[C@@H](C#N)C1=CCCCC1 39392073 168319819 /nfs/dbraw/zinc/31/98/19/168319819.db2.gz AUQNPEXVYGXUHD-QMMMGPOBSA-N 0 0 135.210 2.646 10 30 AFEERN C[C@@H](C#N)CCC(=O)c1ccccc1 75577812 168319840 /nfs/dbraw/zinc/31/98/40/168319840.db2.gz GBOGBMBKGARQJF-SNVBAGLBSA-N 0 0 187.242 2.809 10 30 AFEERN C[C@@H](C#N)CC(=O)C1CCCCC1 51690009 168320249 /nfs/dbraw/zinc/32/02/49/168320249.db2.gz XTLVKONURVTESZ-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@@H](C#N)C(=O)c1ccccc1Cl 36935056 168320448 /nfs/dbraw/zinc/32/04/48/168320448.db2.gz SXVLNHXCDBCTDA-ZETCQYMHSA-N 0 0 193.633 2.682 10 30 AFEERN C[C@@H](C#N)C(=O)c1ccc2c(c1)CCC2 36935081 168320624 /nfs/dbraw/zinc/32/06/24/168320624.db2.gz SXNQQXOWZZFKAH-VIFPVBQESA-N 0 0 199.253 2.518 10 30 AFEERN C[C@@H](C#N)CCOc1ccccc1 39089915 168320643 /nfs/dbraw/zinc/32/06/43/168320643.db2.gz JWLCCNBLJBINGT-SNVBAGLBSA-N 0 0 175.231 2.615 10 30 AFEERN C[C@@H](C#N)CC[C@@H]1CCCCC1=O 75569600 168320897 /nfs/dbraw/zinc/32/08/97/168320897.db2.gz BQHXHEUSXGXLRZ-ZJUUUORDSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@@H](C#N)Cn1ccc2ccccc21 58014611 168321214 /nfs/dbraw/zinc/32/12/14/168321214.db2.gz FXBDDVPEIMMCPS-JTQLQIEISA-N 0 0 184.242 2.801 10 30 AFEERN C[C@@H](C#N)N1CCC(C(C)(C)C)CC1 50347053 168321232 /nfs/dbraw/zinc/32/12/32/168321232.db2.gz IENVRRRSWXSPIO-JTQLQIEISA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H](C#N)CNc1ccccc1Cl 32009124 168321326 /nfs/dbraw/zinc/32/13/26/168321326.db2.gz OROINXVAHAGRDN-QMMMGPOBSA-N 0 0 194.665 2.912 10 30 AFEERN C[C@@H](C#N)CNc1c(F)cccc1F 36677351 168321333 /nfs/dbraw/zinc/32/13/33/168321333.db2.gz STCYASWGBLKBTD-ZETCQYMHSA-N 0 0 196.200 2.536 10 30 AFEERN C[C@@H](C#N)CNc1ccc(F)cc1F 36668967 168321339 /nfs/dbraw/zinc/32/13/39/168321339.db2.gz YCMINQSADWJGIE-ZETCQYMHSA-N 0 0 196.200 2.536 10 30 AFEERN C[C@@H](C#N)CNc1cccc(F)c1F 40230606 168321821 /nfs/dbraw/zinc/32/18/21/168321821.db2.gz UFBRTBNOQVIKOX-ZETCQYMHSA-N 0 0 196.200 2.536 10 30 AFEERN C[C@@H](C#N)N(C)[C@@H](C)c1ccccc1 70199580 168321863 /nfs/dbraw/zinc/32/18/63/168321863.db2.gz TVVMILIFAHGHKN-QWRGUYRKSA-N 0 0 188.274 2.591 10 30 AFEERN C[C@@H](C#N)CSC(C)(C)C 36984867 168321942 /nfs/dbraw/zinc/32/19/42/168321942.db2.gz VCSBNNYJNSRINE-ZETCQYMHSA-N 0 0 157.282 2.678 10 30 AFEERN C[C@@H](C#N)CNc1ccc(F)c(F)c1 36677329 168322007 /nfs/dbraw/zinc/32/20/07/168322007.db2.gz PQCGJBRVEGRJMX-ZETCQYMHSA-N 0 0 196.200 2.536 10 30 AFEERN C[C@@H](C#N)CSc1cccs1 36986694 168322046 /nfs/dbraw/zinc/32/20/46/168322046.db2.gz YGYGUIOZSUSWIF-ZETCQYMHSA-N 0 0 183.301 3.000 10 30 AFEERN C[C@@H](C#N)CNc1cc(F)cc(F)c1 36669020 168322075 /nfs/dbraw/zinc/32/20/75/168322075.db2.gz WWLSAUMCGLQOSJ-ZETCQYMHSA-N 0 0 196.200 2.536 10 30 AFEERN C[C@@H](C#N)N(C)[C@@H](C)c1cccs1 49932640 168322113 /nfs/dbraw/zinc/32/21/13/168322113.db2.gz PJQOZCPCLJKKMI-IUCAKERBSA-N 0 0 194.303 2.653 10 30 AFEERN C[C@@H](C#N)CN[C@H](C)c1cccs1 35206880 168322129 /nfs/dbraw/zinc/32/21/29/168322129.db2.gz KUVXGQVNHRFXCI-DTWKUNHWSA-N 0 0 194.303 2.558 10 30 AFEERN C[C@@H](C#N)CNc1cc(F)ccc1F 36677317 168322295 /nfs/dbraw/zinc/32/22/95/168322295.db2.gz NSQHXKNQYLSYAN-ZETCQYMHSA-N 0 0 196.200 2.536 10 30 AFEERN C[C@@H](C#N)CN[C@H](C)c1ccsc1 54180366 168322342 /nfs/dbraw/zinc/32/23/42/168322342.db2.gz RMMGTGTZKMZKOY-DTWKUNHWSA-N 0 0 194.303 2.558 10 30 AFEERN C[C@@H](C#N)CNc1ccc(Cl)cc1 32009131 168322547 /nfs/dbraw/zinc/32/25/47/168322547.db2.gz GYBOIVAFAWUXJC-QMMMGPOBSA-N 0 0 194.665 2.912 10 30 AFEERN C[C@@H](C#N)CNc1cccc(Cl)c1 32009128 168322861 /nfs/dbraw/zinc/32/28/61/168322861.db2.gz YNPNPOYAJQOEQS-QMMMGPOBSA-N 0 0 194.665 2.912 10 30 AFEERN C[C@@H](C#N)N1CCC[C@@H]1C1CCCC1 45073696 168322992 /nfs/dbraw/zinc/32/29/92/168322992.db2.gz DUNHPPLYYDWHKT-CMPLNLGQSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@@H](C#N)c1ccc(OC(F)F)cc1 37245624 168323131 /nfs/dbraw/zinc/32/31/31/168323131.db2.gz OYVDXMFPADZYBP-ZETCQYMHSA-N 0 0 197.184 2.915 10 30 AFEERN C[C@@H](C#N)Nc1cccc(Cl)c1F 47826413 168323159 /nfs/dbraw/zinc/32/31/59/168323159.db2.gz DEUMIPLFLYYRHY-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C[C@@H](C#N)Nc1ccc(F)cc1Cl 43514777 168323215 /nfs/dbraw/zinc/32/32/15/168323215.db2.gz UWGWVQDPKCPLJM-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C[C@@H](C#N)c1cccc(OC(F)F)c1 37245620 168323267 /nfs/dbraw/zinc/32/32/67/168323267.db2.gz VZTWZQLSZSDOJB-ZETCQYMHSA-N 0 0 197.184 2.915 10 30 AFEERN C[C@@H](C#N)Oc1cccc2cccnc12 47873860 168323280 /nfs/dbraw/zinc/32/32/80/168323280.db2.gz XPCWMOLJBSFYFP-VIFPVBQESA-N 0 0 198.225 2.526 10 30 AFEERN C[C@@H](C#N)Oc1ccccc1Cl 11834504 168323310 /nfs/dbraw/zinc/32/33/10/168323310.db2.gz CKBVUNOUKCRCLN-ZETCQYMHSA-N 0 0 181.622 2.631 10 30 AFEERN C[C@@H](C#N)Nc1ccc(Cl)cc1 37936123 168323416 /nfs/dbraw/zinc/32/34/16/168323416.db2.gz CPVVCMJTNOXQBI-ZETCQYMHSA-N 0 0 180.638 2.664 10 30 AFEERN C[C@@H](C#N)Nc1ccc(Cl)c(F)c1 43515400 168323451 /nfs/dbraw/zinc/32/34/51/168323451.db2.gz SKBGHSYTMQEDCY-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C[C@@H](C#N)Oc1cccc(Cl)c1 47873896 168323554 /nfs/dbraw/zinc/32/35/54/168323554.db2.gz OEWPDZVHFDWAIH-ZETCQYMHSA-N 0 0 181.622 2.631 10 30 AFEERN C[C@@H](C#N)c1c[nH]c2ccccc12 75559807 168323628 /nfs/dbraw/zinc/32/36/28/168323628.db2.gz OYWVOGLZNMHOLB-QMMMGPOBSA-N 0 0 170.215 2.795 10 30 AFEERN C[C@@H](C#N)Oc1ccc(Cl)cc1 11834605 168323715 /nfs/dbraw/zinc/32/37/15/168323715.db2.gz VQMQNRPHRAGWFY-ZETCQYMHSA-N 0 0 181.622 2.631 10 30 AFEERN C[C@@H](C#N)c1ccccc1OC(F)F 37245421 168323770 /nfs/dbraw/zinc/32/37/70/168323770.db2.gz XRDOASLDBJNZIB-ZETCQYMHSA-N 0 0 197.184 2.915 10 30 AFEERN C[C@@H](C#N)c1cccc2cc[nH]c12 89209241 168323881 /nfs/dbraw/zinc/32/38/81/168323881.db2.gz UBJDRFJRXILFJP-QMMMGPOBSA-N 0 0 170.215 2.795 10 30 AFEERN C[C@@H](C#N)Nc1ccccc1Cl 37853319 168324087 /nfs/dbraw/zinc/32/40/87/168324087.db2.gz VRDUGEALWXSYTO-ZETCQYMHSA-N 0 0 180.638 2.664 10 30 AFEERN C[C@@H](C#N)c1ccc2c(c1)CCC2 41168442 168324106 /nfs/dbraw/zinc/32/41/06/168324106.db2.gz ADSZEPQAWFGIIT-VIFPVBQESA-N 0 0 171.243 2.802 10 30 AFEERN C[C@@H](C#N)Nc1cc(Cl)ccc1F 43514839 168324137 /nfs/dbraw/zinc/32/41/37/168324137.db2.gz RMEHRZHTFMETEV-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C[C@@H](C#N)c1cc(F)ccc1F 37245495 168324171 /nfs/dbraw/zinc/32/41/71/168324171.db2.gz NSZZGPGEEHBNGJ-LURJTMIESA-N 0 0 167.158 2.592 10 30 AFEERN C[C@@H](C#N)Nc1ccc(F)c(Cl)c1 57490494 168324237 /nfs/dbraw/zinc/32/42/37/168324237.db2.gz WQSQIESKJPEELL-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C[C@@H](C#N)Nc1cccc(Cl)c1 37937337 168324254 /nfs/dbraw/zinc/32/42/54/168324254.db2.gz GKAIVZNMPSOXRT-ZETCQYMHSA-N 0 0 180.638 2.664 10 30 AFEERN C[C@@H](C#N)Sc1ccc(F)c(F)c1 48484435 168324394 /nfs/dbraw/zinc/32/43/94/168324394.db2.gz LEMADNVVKXGJQQ-LURJTMIESA-N 0 0 199.225 2.969 10 30 AFEERN C[C@@H](C#N)NC1CCCCCCC1 43514233 168324505 /nfs/dbraw/zinc/32/45/05/168324505.db2.gz OLEXLVADOSJNTJ-JTQLQIEISA-N 0 0 180.295 2.601 10 30 AFEERN C[C@@H](C#N)Nc1ccc(Cl)cc1F 43515420 168324575 /nfs/dbraw/zinc/32/45/75/168324575.db2.gz COJCUYJBQDCXPT-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C[C@@H](C#N)n1ccc2ccccc21 38886621 168325224 /nfs/dbraw/zinc/32/52/24/168325224.db2.gz ZMZJKWMMKHTQAJ-VIFPVBQESA-N 0 0 170.215 2.726 10 30 AFEERN C[C@@H](C#N)n1ccnc1-c1ccccc1 43522471 168325232 /nfs/dbraw/zinc/32/52/32/168325232.db2.gz LZRQJPJABAXNCV-JTQLQIEISA-N 0 0 197.241 2.635 10 30 AFEERN C[C@@H](CC#N)C(=O)c1ccccc1F 33426631 168330669 /nfs/dbraw/zinc/33/06/69/168330669.db2.gz BAXLEAXGOFJKPK-QMMMGPOBSA-N 0 0 191.205 2.558 10 30 AFEERN C[C@@H](CC#N)C(=O)c1ccc(F)cc1 33426633 168330716 /nfs/dbraw/zinc/33/07/16/168330716.db2.gz DTDRJHHEVDNKRX-QMMMGPOBSA-N 0 0 191.205 2.558 10 30 AFEERN C[C@@H](CC#N)C(=O)C1CCCCC1 51690006 168331095 /nfs/dbraw/zinc/33/10/95/168331095.db2.gz SJOWRRBTWBGSLQ-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C[C@@H](C=O)SC1CCCCC1 34252973 168331153 /nfs/dbraw/zinc/33/11/53/168331153.db2.gz SGMLPZVHBWLXEA-QMMMGPOBSA-N 0 0 172.293 2.640 10 30 AFEERN C[C@@H](C=O)C[C@@H](C)C(C)(C)C 39252692 168331477 /nfs/dbraw/zinc/33/14/77/168331477.db2.gz MDPNPJLHOMJJKR-RKDXNWHRSA-N 0 0 156.269 2.894 10 30 AFEERN C[C@@H](C=O)CCCc1ccccc1 34227026 168331893 /nfs/dbraw/zinc/33/18/93/168331893.db2.gz AHSQPFFBBHOZGR-LLVKDONJSA-N 0 0 176.259 2.844 10 30 AFEERN C[C@@H](C=O)c1ccc2c(c1)CCCC2 32008056 168332160 /nfs/dbraw/zinc/33/21/60/168332160.db2.gz ZQAVZFKZEMVZNC-JTQLQIEISA-N 0 0 188.270 2.868 10 30 AFEERN C[C@@H](C=O)[C@@H](C)c1ccccc1 33638525 168332185 /nfs/dbraw/zinc/33/21/85/168332185.db2.gz SMEMYAIGCRAVQX-VHSXEESVSA-N 0 0 162.232 2.625 10 30 AFEERN C[C@@H](C=O)[C@H](C)CC(C)(C)C 6036134 168332265 /nfs/dbraw/zinc/33/22/65/168332265.db2.gz COJYJCJUBHUSDJ-BDAKNGLRSA-N 0 0 156.269 2.894 10 30 AFEERN C[C@@H](C=O)SCc1ccccc1 39310943 168332708 /nfs/dbraw/zinc/33/27/08/168332708.db2.gz JLZOWHWCPBTIQF-VIFPVBQESA-N 0 0 180.272 2.507 10 30 AFEERN C[C@@H](CC#N)Nc1cc(F)ccc1F 37871173 168333040 /nfs/dbraw/zinc/33/30/40/168333040.db2.gz APHDRABVQNBMBT-ZETCQYMHSA-N 0 0 196.200 2.679 10 30 AFEERN C[C@@H](CC#N)Nc1c(F)cccc1F 37871343 168333053 /nfs/dbraw/zinc/33/30/53/168333053.db2.gz WLFRHWHWHKMSAA-ZETCQYMHSA-N 0 0 196.200 2.679 10 30 AFEERN C[C@@H](CC#N)N[C@@H](C)c1cccs1 37871457 168333226 /nfs/dbraw/zinc/33/32/26/168333226.db2.gz FBCJISMHLHKSTP-IUCAKERBSA-N 0 0 194.303 2.701 10 30 AFEERN C[C@@H](CC#N)Nc1cccc(F)c1F 40230644 168333446 /nfs/dbraw/zinc/33/34/46/168333446.db2.gz GMWCDSUOUQZWOC-ZETCQYMHSA-N 0 0 196.200 2.679 10 30 AFEERN CCC(C)(C)Nc1cnccc1C#N 135586195 343966021 /nfs/dbraw/zinc/96/60/21/343966021.db2.gz CVTOFPMSFBQOKY-UHFFFAOYSA-N 0 0 189.262 2.554 10 30 AFEERN C[C@@H](CC#N)Nc1cccc(F)c1 32007092 168333602 /nfs/dbraw/zinc/33/36/02/168333602.db2.gz YRLSONISMWAILT-QMMMGPOBSA-N 0 0 178.210 2.540 10 30 AFEERN C[C@@H](CC#N)N[C@H](C)c1ccsc1 61363078 168333767 /nfs/dbraw/zinc/33/37/67/168333767.db2.gz XJZDKRMNUNLGRZ-DTWKUNHWSA-N 0 0 194.303 2.701 10 30 AFEERN C[C@@H](CC#N)n1cnc2ccccc21 48246974 168333847 /nfs/dbraw/zinc/33/38/47/168333847.db2.gz VNTUMLDUULQWSN-VIFPVBQESA-N 0 0 185.230 2.511 10 30 AFEERN C[C@@H](CC#N)n1ncc2ccccc21 50525889 168333914 /nfs/dbraw/zinc/33/39/14/168333914.db2.gz ZEPHLMDKPRIISJ-VIFPVBQESA-N 0 0 185.230 2.511 10 30 AFEERN C[C@@H](CC#N)Nc1ccc(F)cc1F 37871257 168334161 /nfs/dbraw/zinc/33/41/61/168334161.db2.gz GPVULLWBULFKBV-ZETCQYMHSA-N 0 0 196.200 2.679 10 30 AFEERN C[C@@H](CC#N)Nc1cc(F)cc(F)c1 37871273 168334189 /nfs/dbraw/zinc/33/41/89/168334189.db2.gz USXJWKXUYBJPBR-ZETCQYMHSA-N 0 0 196.200 2.679 10 30 AFEERN C[C@@H](CC#N)Sc1nccs1 40676890 168334205 /nfs/dbraw/zinc/33/42/05/168334205.db2.gz AGSZYIYUUHBYIV-LURJTMIESA-N 0 0 184.289 2.537 10 30 AFEERN C[C@@H](CC#N)Nc1ccc(F)cc1 32007089 168334276 /nfs/dbraw/zinc/33/42/76/168334276.db2.gz YAYZFAZUSNBJLK-QMMMGPOBSA-N 0 0 178.210 2.540 10 30 AFEERN C[C@@H](CC#N)Nc1ccc(F)c(F)c1 37871235 168334587 /nfs/dbraw/zinc/33/45/87/168334587.db2.gz FHMNDGLHUQCLGE-ZETCQYMHSA-N 0 0 196.200 2.679 10 30 AFEERN C[C@@H](CC#N)N[C@H](C)c1cccs1 37871459 168334606 /nfs/dbraw/zinc/33/46/06/168334606.db2.gz FBCJISMHLHKSTP-DTWKUNHWSA-N 0 0 194.303 2.701 10 30 AFEERN C[C@@H](CC#N)Nc1ccccc1F 32007086 168334646 /nfs/dbraw/zinc/33/46/46/168334646.db2.gz ICWDUNFJGOESJF-QMMMGPOBSA-N 0 0 178.210 2.540 10 30 AFEERN C[C@@H](CC#N)N[C@@H](C)c1ccsc1 61363076 168334689 /nfs/dbraw/zinc/33/46/89/168334689.db2.gz XJZDKRMNUNLGRZ-IUCAKERBSA-N 0 0 194.303 2.701 10 30 AFEERN C[C@@H](CC=O)C1CCCCC1 6020458 168334992 /nfs/dbraw/zinc/33/49/92/168334992.db2.gz NXGJUTFZCDKORT-VIFPVBQESA-N 0 0 154.253 2.792 10 30 AFEERN C[C@@H](CC(C)(C)C)[C@@H](C)C=O 6020393 168335704 /nfs/dbraw/zinc/33/57/04/168335704.db2.gz COJYJCJUBHUSDJ-IUCAKERBSA-N 0 0 156.269 2.894 10 30 AFEERN C[C@@H](CCC=O)c1ccccc1 75545415 168337992 /nfs/dbraw/zinc/33/79/92/168337992.db2.gz QEQARNLLMXCKIR-JTQLQIEISA-N 0 0 162.232 2.769 10 30 AFEERN C[C@@H](C[C@@H](C)C=O)C(C)(C)C 39252694 168353136 /nfs/dbraw/zinc/35/31/36/168353136.db2.gz MDPNPJLHOMJJKR-BDAKNGLRSA-N 0 0 156.269 2.894 10 30 AFEERN Cc1nc(C#N)c(-c2cccs2)o1 77275092 168930044 /nfs/dbraw/zinc/93/00/44/168930044.db2.gz LDCVOXOVBXKTMO-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C[C@@H](NC(C)(C)C#N)c1ccccc1 58520737 168377382 /nfs/dbraw/zinc/37/73/82/168377382.db2.gz VJGVMJATGPCNCU-SNVBAGLBSA-N 0 0 188.274 2.639 10 30 AFEERN C[C@@H](NCC#N)c1cccc(Cl)c1 37980631 168379627 /nfs/dbraw/zinc/37/96/27/168379627.db2.gz CJBYDOOMPROKLX-MRVPVSSYSA-N 0 0 194.665 2.514 10 30 AFEERN C[C@@H](Nc1ccccc1C#N)C1CC1 19921584 168386523 /nfs/dbraw/zinc/38/65/23/168386523.db2.gz FVHNZXOWFYIFCA-SECBINFHSA-N 0 0 186.258 2.769 10 30 AFEERN C[C@@H](c1ccccc1)N(C)[C@H](C)C#N 70199581 168405177 /nfs/dbraw/zinc/40/51/77/168405177.db2.gz TVVMILIFAHGHKN-MNOVXSKESA-N 0 0 188.274 2.591 10 30 AFEERN C[C@@H]1/C(=N/O)C[C@H]2C[C@@H]1C2(C)C 5359344 168406733 /nfs/dbraw/zinc/40/67/33/168406733.db2.gz PLKZJFBLYSCGKF-FONNXIIGSA-N 0 0 167.252 2.519 10 30 AFEERN C[C@@H](c1cccs1)N(C)[C@H](C)C#N 49932641 168407640 /nfs/dbraw/zinc/40/76/40/168407640.db2.gz PJQOZCPCLJKKMI-BDAKNGLRSA-N 0 0 194.303 2.653 10 30 AFEERN C[C@@H]1CC(=O)C2=C(C1)OC(C)(C)C=C2 26897666 168410431 /nfs/dbraw/zinc/41/04/31/168410431.db2.gz QGPRNWZHXLFVBS-MRVPVSSYSA-N 0 0 192.258 2.605 10 30 AFEERN C[C@@H]1CCCC(C)(C)[C@H]1C=O 6030823 168413270 /nfs/dbraw/zinc/41/32/70/168413270.db2.gz MPLGIGIOVUTMJA-BDAKNGLRSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@@H]1CCCC2=CC(=O)CC[C@@H]21 62718153 168414120 /nfs/dbraw/zinc/41/41/20/168414120.db2.gz XJVGIDANFXGDDN-LDYMZIIASA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1CCCCN1c1ccc(C#N)o1 83341576 168415357 /nfs/dbraw/zinc/41/53/57/168415357.db2.gz IQZJITRQBNBNTP-SECBINFHSA-N 0 0 190.246 2.530 10 30 AFEERN C[C@@H]1CCCC[C@@H]1OCCCC#N 19472812 168417680 /nfs/dbraw/zinc/41/76/80/168417680.db2.gz BODLIHOHVKFCEF-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN C[C@@H]1CCCN1c1ccccc1C#N 37912127 168423374 /nfs/dbraw/zinc/42/33/74/168423374.db2.gz ZKVXZJYCVLFJNN-SNVBAGLBSA-N 0 0 186.258 2.547 10 30 AFEERN C[C@@H]1CCC[C@H](C#N)[C@@H]1C 36469012 168426012 /nfs/dbraw/zinc/42/60/12/168426012.db2.gz WHZGICUYVOAGRF-IWSPIJDZSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@@H]1CCC[C@@](C)(CCC#N)C1=O 75569559 168427479 /nfs/dbraw/zinc/42/74/79/168427479.db2.gz JECFMNQGQPNHNZ-KOLCDFICSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@@H]1CC[C@](C)(C=O)C1(C)C 75541898 168443268 /nfs/dbraw/zinc/44/32/68/168443268.db2.gz XFHJFSKPUCMPGP-PSASIEDQSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@@H]1CC[C@H]2[C@@H]([C@@H]1C=O)C2(C)C 44710219 168443892 /nfs/dbraw/zinc/44/38/92/168443892.db2.gz WUFJEAHVTVBYPF-DOLQZWNJSA-N 0 0 166.264 2.504 10 30 AFEERN C[C@@H]1CCc2c(C#N)csc2C1 19767644 168444568 /nfs/dbraw/zinc/44/45/68/168444568.db2.gz FIXVRTVAGFDFOP-SSDOTTSWSA-N 0 0 177.272 2.745 10 30 AFEERN C[C@@H]1C[C@@H](OC[C@@H]2CO2)CC(C)(C)C1 20513599 168468356 /nfs/dbraw/zinc/46/83/56/168468356.db2.gz XCYLBOIRGOCIAV-GMTAPVOTSA-N 0 0 198.306 2.617 10 30 AFEERN C[C@@H]1C[C@@H]1Nc1ccc(C#N)cc1F 52291433 168469894 /nfs/dbraw/zinc/46/98/94/168469894.db2.gz MSILOJLTIRGOIE-HQJQHLMTSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@@H]1C[C@H](C=O)CC(C)(C)C1 6031338 168474586 /nfs/dbraw/zinc/47/45/86/168474586.db2.gz XOKRGEQPFOCUDY-BDAKNGLRSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1ccccc1 36930344 168475450 /nfs/dbraw/zinc/47/54/50/168475450.db2.gz RXUMKVFXAAMFKJ-JLLWLGSASA-N 0 0 199.253 2.519 10 30 AFEERN C[C@@H]1C[C@H](OCC#N)CC(C)(C)C1 34958256 168476224 /nfs/dbraw/zinc/47/62/24/168476224.db2.gz FFVCKBGUHXCQFZ-ZJUUUORDSA-N 0 0 181.279 2.741 10 30 AFEERN C[C@@H]1C[C@H]1Nc1ccc(C#N)cc1F 52291439 168479128 /nfs/dbraw/zinc/47/91/28/168479128.db2.gz MSILOJLTIRGOIE-RDDDGLTNSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@@H]1Cc2cc(C#N)cnc2[C@@H](C)C1 49806106 168481309 /nfs/dbraw/zinc/48/13/09/168481309.db2.gz GETMFBMTQBTEGU-IUCAKERBSA-N 0 0 186.258 2.639 10 30 AFEERN C[C@@H]1O[C@]1(C)CCc1ccccc1 104834149 168489550 /nfs/dbraw/zinc/48/95/50/168489550.db2.gz ISWXZOOAWTUCIO-CMPLNLGQSA-N 0 0 176.259 2.797 10 30 AFEERN C[C@@](C#N)(Nc1ccccc1)C1CC1 37935319 168494418 /nfs/dbraw/zinc/49/44/18/168494418.db2.gz QKXSIDZDEVLLKK-LBPRGKRZSA-N 0 0 186.258 2.791 10 30 AFEERN C[C@@](Cl)(C#N)c1ccccc1 75546970 168495259 /nfs/dbraw/zinc/49/52/59/168495259.db2.gz COFLEEXNUWNKKA-SECBINFHSA-N 0 0 165.623 2.664 10 30 AFEERN C[C@@]1(CC=O)CCCc2ccccc21 75578762 168499697 /nfs/dbraw/zinc/49/96/97/168499697.db2.gz DLWUJUMIZRWXDO-ZDUSSCGKSA-N 0 0 188.270 2.870 10 30 AFEERN C[C@@]1(c2ccc3c(c2)CCCC3)CO1 19729132 168502890 /nfs/dbraw/zinc/50/28/90/168502890.db2.gz AUEFXSMZOIRRSY-ZDUSSCGKSA-N 0 0 188.270 2.811 10 30 AFEERN C[C@@]12CCCC[C@]1(C#N)CC(=O)CC2 32135206 168505886 /nfs/dbraw/zinc/50/58/86/168505886.db2.gz VDTIJFRUZIAMNB-NWDGAFQWSA-N 0 0 191.274 2.830 10 30 AFEERN C[C@H](C#N)CC[C@H]1CCCCC1=O 75569602 168506785 /nfs/dbraw/zinc/50/67/85/168506785.db2.gz BQHXHEUSXGXLRZ-VHSXEESVSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@H](C#N)CCC(=O)c1ccccc1 75577810 168507253 /nfs/dbraw/zinc/50/72/53/168507253.db2.gz GBOGBMBKGARQJF-JTQLQIEISA-N 0 0 187.242 2.809 10 30 AFEERN C[C@H](C#N)C(=O)c1ccc2c(c1)CCC2 36935083 168507769 /nfs/dbraw/zinc/50/77/69/168507769.db2.gz SXNQQXOWZZFKAH-SECBINFHSA-N 0 0 199.253 2.518 10 30 AFEERN C[C@H](C#N)CNc1c(F)cccc1F 36677350 168509141 /nfs/dbraw/zinc/50/91/41/168509141.db2.gz STCYASWGBLKBTD-SSDOTTSWSA-N 0 0 196.200 2.536 10 30 AFEERN C[C@H](C#N)CNc1ccc(F)c(F)c1 36677328 168509624 /nfs/dbraw/zinc/50/96/24/168509624.db2.gz PQCGJBRVEGRJMX-SSDOTTSWSA-N 0 0 196.200 2.536 10 30 AFEERN C[C@H](C#N)Nc1ccc(Cl)cc1F 43515421 168510857 /nfs/dbraw/zinc/51/08/57/168510857.db2.gz COJCUYJBQDCXPT-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN C[C@H](C#N)Nc1cccc(Cl)c1F 47826415 168510885 /nfs/dbraw/zinc/51/08/85/168510885.db2.gz DEUMIPLFLYYRHY-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN C[C@H](C#N)c1c[nH]c2ccccc12 75559817 168512941 /nfs/dbraw/zinc/51/29/41/168512941.db2.gz OYWVOGLZNMHOLB-MRVPVSSYSA-N 0 0 170.215 2.795 10 30 AFEERN C[C@H](C#N)c1ccc(OC(F)F)cc1 37245626 168513319 /nfs/dbraw/zinc/51/33/19/168513319.db2.gz OYVDXMFPADZYBP-SSDOTTSWSA-N 0 0 197.184 2.915 10 30 AFEERN C[C@H](C=O)[C@H](C)c1ccccc1 33638530 168518435 /nfs/dbraw/zinc/51/84/35/168518435.db2.gz SMEMYAIGCRAVQX-ZJUUUORDSA-N 0 0 162.232 2.625 10 30 AFEERN C[C@H](C=O)[C@@H](C)CC(C)(C)C 6020394 168519418 /nfs/dbraw/zinc/51/94/18/168519418.db2.gz COJYJCJUBHUSDJ-DTWKUNHWSA-N 0 0 156.269 2.894 10 30 AFEERN C[C@H](CC#N)Nc1cc(F)ccc1F 37871174 168520617 /nfs/dbraw/zinc/52/06/17/168520617.db2.gz APHDRABVQNBMBT-SSDOTTSWSA-N 0 0 196.200 2.679 10 30 AFEERN C[C@H](CC#N)Nc1ccc(F)cc1F 37871258 168521412 /nfs/dbraw/zinc/52/14/12/168521412.db2.gz GPVULLWBULFKBV-SSDOTTSWSA-N 0 0 196.200 2.679 10 30 AFEERN C[C@H](CCC=O)c1ccccc1 75545416 168523321 /nfs/dbraw/zinc/52/33/21/168523321.db2.gz QEQARNLLMXCKIR-SNVBAGLBSA-N 0 0 162.232 2.769 10 30 AFEERN C[C@H](Nc1ccccc1C#N)C1CC1 19921586 168570739 /nfs/dbraw/zinc/57/07/39/168570739.db2.gz FVHNZXOWFYIFCA-VIFPVBQESA-N 0 0 186.258 2.769 10 30 AFEERN C[C@H]1CCCC2=CC(=O)CC[C@H]21 62718151 168596349 /nfs/dbraw/zinc/59/63/49/168596349.db2.gz XJVGIDANFXGDDN-KWQFWETISA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1CC=C[C@H](CCC=O)C1 75539656 168597124 /nfs/dbraw/zinc/59/71/24/168597124.db2.gz ZXVPPHLKFQJFCK-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1CCCC2=CC(=O)CC[C@@H]21 62718156 168597183 /nfs/dbraw/zinc/59/71/83/168597183.db2.gz XJVGIDANFXGDDN-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1CCC2=CC(=O)CC[C@@]21C 62718140 168598078 /nfs/dbraw/zinc/59/80/78/168598078.db2.gz NBMAOWXJMDVDLR-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@H](OC(C)=O)c1cccs1 136158642 343975936 /nfs/dbraw/zinc/97/59/36/343975936.db2.gz TVPAGOAMCMWSCD-QMMMGPOBSA-N 0 0 182.244 2.538 10 30 AFEERN C[C@H]1CCc2cc(C#N)cnc2[C@@H]1C 49806101 168628470 /nfs/dbraw/zinc/62/84/70/168628470.db2.gz SQXXKYYHQVIKGY-DTWKUNHWSA-N 0 0 186.258 2.639 10 30 AFEERN C[C@H]1C[C@@H](C)Cc2cc(C#N)cnc21 49806107 168649030 /nfs/dbraw/zinc/64/90/30/168649030.db2.gz GETMFBMTQBTEGU-BDAKNGLRSA-N 0 0 186.258 2.639 10 30 AFEERN C[C@H]1C[C@H](C#N)c2ccccc21 41167396 168656875 /nfs/dbraw/zinc/65/68/75/168656875.db2.gz BACWSILAEFBTQV-DTWKUNHWSA-N 0 0 157.216 2.801 10 30 AFEERN C[C@H]1C[C@H](C=O)CC(C)(C)C1 6037941 168657784 /nfs/dbraw/zinc/65/77/84/168657784.db2.gz XOKRGEQPFOCUDY-IUCAKERBSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@H]1Cc2ncc(C#N)cc2[C@H](C)C1 49806113 168667089 /nfs/dbraw/zinc/66/70/89/168667089.db2.gz LHMLVZVACSRYJG-RKDXNWHRSA-N 0 0 186.258 2.639 10 30 AFEERN C[C@H]1O[C@@]1(C)CCc1ccccc1 104834150 168673474 /nfs/dbraw/zinc/67/34/74/168673474.db2.gz ISWXZOOAWTUCIO-PWSUYJOCSA-N 0 0 176.259 2.797 10 30 AFEERN C[C@H]1O[C@@H]1CC1CCCCC1 104835286 168674245 /nfs/dbraw/zinc/67/42/45/168674245.db2.gz LSJNMUKHHPKJSN-PSASIEDQSA-N 0 0 154.253 2.744 10 30 AFEERN C[C@]1(C=O)CCc2ccccc2S1 75580997 168686941 /nfs/dbraw/zinc/68/69/41/168686941.db2.gz HRABLLVIVMXRND-LLVKDONJSA-N 0 0 192.283 2.683 10 30 AFEERN C[C@]1(c2ccc3c(c2)CCCC3)CO1 19729133 168690190 /nfs/dbraw/zinc/69/01/90/168690190.db2.gz AUEFXSMZOIRRSY-CYBMUJFWSA-N 0 0 188.270 2.811 10 30 AFEERN C[C@]12CCCC[C@]1(C#N)CC(=O)CC2 32135207 168690506 /nfs/dbraw/zinc/69/05/06/168690506.db2.gz VDTIJFRUZIAMNB-VXGBXAGGSA-N 0 0 191.274 2.830 10 30 AFEERN Cc1[nH]c2c(C)ccc(C)c2c1C#N 82588083 168697980 /nfs/dbraw/zinc/69/79/80/168697980.db2.gz CRFWHZGUJDXBNI-UHFFFAOYSA-N 0 0 184.242 2.965 10 30 AFEERN Cc1[nH]c2ccc(F)cc2c1CC#N 19725637 168698439 /nfs/dbraw/zinc/69/84/39/168698439.db2.gz LIBGIBNHBPUUFG-UHFFFAOYSA-N 0 0 188.205 2.682 10 30 AFEERN Cc1[nH]c2ccccc2c1CS 77266835 168698751 /nfs/dbraw/zinc/69/87/51/168698751.db2.gz UZMWQZUPWJSBCG-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN Cc1[nH]c2ccccc2c1[C@H]1CO1 71496736 168699270 /nfs/dbraw/zinc/69/92/70/168699270.db2.gz BZTDLYVDPZSTMW-SNVBAGLBSA-N 0 0 173.215 2.548 10 30 AFEERN Cc1[nH]c(NCC(C)C)c(C#N)c1C 83341679 168699658 /nfs/dbraw/zinc/69/96/58/168699658.db2.gz SRTRVSBNFMCSME-UHFFFAOYSA-N 0 0 191.278 2.571 10 30 AFEERN Cc1c(C#N)c[nH]c1-c1ccccc1 75576006 168705884 /nfs/dbraw/zinc/70/58/84/168705884.db2.gz ZQQSBSYIDACRQT-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN Cc1c(C)c(C#N)c(C)c(C#N)c1C 62719375 168706874 /nfs/dbraw/zinc/70/68/74/168706874.db2.gz NUNWZBYVAXLGEI-UHFFFAOYSA-N 0 0 184.242 2.664 10 30 AFEERN Cc1c(CC#N)[nH]c2ccccc12 196584694 168709027 /nfs/dbraw/zinc/70/90/27/168709027.db2.gz BHUMNAFIICHYED-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN Cc1c(Cl)cc(Cl)nc1C#N 95774469 168710761 /nfs/dbraw/zinc/71/07/61/168710761.db2.gz LUBKOKRXWDEJHB-UHFFFAOYSA-N 0 0 187.029 2.569 10 30 AFEERN Cc1c(Cl)cccc1CCC=O 71499241 168710862 /nfs/dbraw/zinc/71/08/62/168710862.db2.gz CKAJCYFXWJRSJF-UHFFFAOYSA-N 0 0 182.650 2.780 10 30 AFEERN Cc1c(Cl)ccc(CC#N)c1F 75898778 168711103 /nfs/dbraw/zinc/71/11/03/168711103.db2.gz ZNBSLYWOLDZCDQ-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN Cc1c(Cl)cccc1CC#N 34328464 168711412 /nfs/dbraw/zinc/71/14/12/168711412.db2.gz RSRBEXCWZVGGMG-UHFFFAOYSA-N 0 0 165.623 2.715 10 30 AFEERN Cc1c(Cl)cccc1NCC#N 20042709 168711646 /nfs/dbraw/zinc/71/16/46/168711646.db2.gz XLXALJLZMVYVAA-UHFFFAOYSA-N 0 0 180.638 2.584 10 30 AFEERN Cc1c(F)ccc(CC#N)c1C 44370259 168711989 /nfs/dbraw/zinc/71/19/89/168711989.db2.gz KRAKEHIMYUGLRE-UHFFFAOYSA-N 0 0 163.195 2.509 10 30 AFEERN Cc1cc(-c2ccco2)c(C#N)c(C)n1 90562605 168723733 /nfs/dbraw/zinc/72/37/33/168723733.db2.gz CPSDOQHEIBZMQC-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN Cc1cc(C#N)ccc1N[C@@H]1C[C@@H]1C 52290125 168730091 /nfs/dbraw/zinc/73/00/91/168730091.db2.gz UBGFYWKGZDUVQU-JOYOIKCWSA-N 0 0 186.258 2.687 10 30 AFEERN Cc1cc(C#N)ccc1OC(C)C 36194373 168730519 /nfs/dbraw/zinc/73/05/19/168730519.db2.gz VFZZOEOIOLTOEE-UHFFFAOYSA-N 0 0 175.231 2.654 10 30 AFEERN Cc1cc(C#N)nc2cc(F)ccc12 77255683 168730585 /nfs/dbraw/zinc/73/05/85/168730585.db2.gz VJJBNPBCYVRHID-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN Cc1cc(C)c([C@@]2(C)CO2)c(C)c1 36156294 168740301 /nfs/dbraw/zinc/74/03/01/168740301.db2.gz BCXVOOHGNIWNMR-GFCCVEGCSA-N 0 0 176.259 2.857 10 30 AFEERN Cc1cc(C)c([C@]2(C)CO2)c(C)c1 36156292 168740465 /nfs/dbraw/zinc/74/04/65/168740465.db2.gz BCXVOOHGNIWNMR-LBPRGKRZSA-N 0 0 176.259 2.857 10 30 AFEERN Cc1cc(C)c2[nH]cc(C#N)c2c1 82587700 168740631 /nfs/dbraw/zinc/74/06/31/168740631.db2.gz PLLXDQQXPHFAIT-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN Cc1cc(C)c2c(c1)c(C#N)cn2C 82588073 168741970 /nfs/dbraw/zinc/74/19/70/168741970.db2.gz FYYPHBYIDQJKFS-UHFFFAOYSA-N 0 0 184.242 2.667 10 30 AFEERN Cc1cc(C)c2nc(C#N)sc2c1 45236512 168742736 /nfs/dbraw/zinc/74/27/36/168742736.db2.gz PVGOQRBPDNUVMN-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN Cc1cc(C)c2ccc(C#N)cc2n1 82768446 168742898 /nfs/dbraw/zinc/74/28/98/168742898.db2.gz ZJMQHHUYZYMWBG-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN Cc1cc(C)cc(C(=O)[C@H](C)C#N)c1 36931619 168743256 /nfs/dbraw/zinc/74/32/56/168743256.db2.gz QJBVMFUCPBKCNI-SNVBAGLBSA-N 0 0 187.242 2.646 10 30 AFEERN Cc1cc(C)cc(C(=O)[C@@H](C)C#N)c1 36931618 168744261 /nfs/dbraw/zinc/74/42/61/168744261.db2.gz QJBVMFUCPBKCNI-JTQLQIEISA-N 0 0 187.242 2.646 10 30 AFEERN Cc1cc(C)cc(NC[C@@H](C)C#N)c1 32008145 168744570 /nfs/dbraw/zinc/74/45/70/168744570.db2.gz PDTYROJHQOZYAA-NSHDSACASA-N 0 0 188.274 2.875 10 30 AFEERN Cc1cc(C)cc(N[C@H](C)C#N)c1 43514474 168744960 /nfs/dbraw/zinc/74/49/60/168744960.db2.gz CNHBBRDOMBNTDK-SNVBAGLBSA-N 0 0 174.247 2.627 10 30 AFEERN Cc1cc(C)cc(OCCS)c1 19421194 168745033 /nfs/dbraw/zinc/74/50/33/168745033.db2.gz BYVUSSNPHFLRGU-UHFFFAOYSA-N 0 0 182.288 2.612 10 30 AFEERN Cc1cc(C)cc(O[C@@H](C)C#N)c1 11834472 168745057 /nfs/dbraw/zinc/74/50/57/168745057.db2.gz CIODESTYXKGKCK-JTQLQIEISA-N 0 0 175.231 2.594 10 30 AFEERN Cc1cc(C)cc(OCCCC#N)c1 19428463 168745700 /nfs/dbraw/zinc/74/57/00/168745700.db2.gz HEXWMVBNGUTOGH-UHFFFAOYSA-N 0 0 189.258 2.986 10 30 AFEERN Cc1cc(C)cc(O[C@H](C)C#N)c1 11834469 168745729 /nfs/dbraw/zinc/74/57/29/168745729.db2.gz CIODESTYXKGKCK-SNVBAGLBSA-N 0 0 175.231 2.594 10 30 AFEERN Cc1cc(CC#N)cc(C)c1C 2586001 168750434 /nfs/dbraw/zinc/75/04/34/168750434.db2.gz NGKBAGABSZXSLV-UHFFFAOYSA-N 0 0 159.232 2.678 10 30 AFEERN Cc1cc(CC#N)c2ccccc2n1 63046472 168750735 /nfs/dbraw/zinc/75/07/35/168750735.db2.gz NZBVSXBIXGGDSJ-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN Cc1cc(CCC#N)ccc1F 82522610 168752933 /nfs/dbraw/zinc/75/29/33/168752933.db2.gz NMWUERFHYYRVKM-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN Cc1cc(Cl)cc(CC#N)c1F 75925801 168759234 /nfs/dbraw/zinc/75/92/34/168759234.db2.gz RNVSVSMDTXNQGS-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN Cc1cc(Cl)ccc1N(C)CC#N 49811410 168759766 /nfs/dbraw/zinc/75/97/66/168759766.db2.gz HXCIUUKAGLJJTE-UHFFFAOYSA-N 0 0 194.665 2.608 10 30 AFEERN Cc1cc(Cl)ccc1NCC#N 58519751 168760605 /nfs/dbraw/zinc/76/06/05/168760605.db2.gz PKLTYBXRHPJDBY-UHFFFAOYSA-N 0 0 180.638 2.584 10 30 AFEERN Cc1cc(Cl)ccc1NCCC#N 32009112 168761100 /nfs/dbraw/zinc/76/11/00/168761100.db2.gz YYAMHTYUYPKOGT-UHFFFAOYSA-N 0 0 194.665 2.974 10 30 AFEERN Cc1cc(F)ccc1NC[C@@H](C)C#N 36668996 168762606 /nfs/dbraw/zinc/76/26/06/168762606.db2.gz FCISKQOUOGQFDB-QMMMGPOBSA-N 0 0 192.237 2.706 10 30 AFEERN Cc1cc(N=[N+]=[N-])nc(N=[N+]=[N-])n1 31425443 168770570 /nfs/dbraw/zinc/77/05/70/168770570.db2.gz DHJBZPFQYMVUGZ-UHFFFAOYSA-N 0 0 176.143 2.669 10 30 AFEERN Cc1cc(O[C@H](C)C#N)ccc1Cl 11834595 168778596 /nfs/dbraw/zinc/77/85/96/168778596.db2.gz YFJONESNTJQABX-MRVPVSSYSA-N 0 0 195.649 2.939 10 30 AFEERN Cc1cc(O[C@@H](C)C#N)ccc1Cl 11834597 168778652 /nfs/dbraw/zinc/77/86/52/168778652.db2.gz YFJONESNTJQABX-QMMMGPOBSA-N 0 0 195.649 2.939 10 30 AFEERN Cc1cc2[nH]cc(C#N)c2cc1C 83271493 168784923 /nfs/dbraw/zinc/78/49/23/168784923.db2.gz OMJNVWPMGVHNIL-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN Cc1cc2cc(C#N)cnc2cc1C 49805751 168788542 /nfs/dbraw/zinc/78/85/42/168788542.db2.gz TZDVDFOVFPBUIH-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN Cc1cc2ccc(C#N)cc2o1 39136351 168789625 /nfs/dbraw/zinc/78/96/25/168789625.db2.gz JPBFZFOTKVFASB-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN Cc1ccc(-c2c[nH]cc2C#N)s1 88323636 168793597 /nfs/dbraw/zinc/79/35/97/168793597.db2.gz BJGACHXMDDIRFQ-UHFFFAOYSA-N 0 0 188.255 2.923 10 30 AFEERN Cc1ccc(C(=O)CCC#N)c(C)c1 36275871 168798846 /nfs/dbraw/zinc/79/88/46/168798846.db2.gz ITQRIGZFFQMBIB-UHFFFAOYSA-N 0 0 187.242 2.790 10 30 AFEERN Cc1ccc(C(=O)CCC#N)s1 75569461 168799681 /nfs/dbraw/zinc/79/96/81/168799681.db2.gz ULZYFRUVUSDXNB-UHFFFAOYSA-N 0 0 179.244 2.543 10 30 AFEERN Cc1ccc(C(=O)[C@@H](C)CC#N)cc1 33426629 168800340 /nfs/dbraw/zinc/80/03/40/168800340.db2.gz UOZDCPBRDBVWRK-JTQLQIEISA-N 0 0 187.242 2.728 10 30 AFEERN Cc1ccc(C)c(CCC#N)c1 36203718 168803884 /nfs/dbraw/zinc/80/38/84/168803884.db2.gz GWUOEPNBQGXBOU-UHFFFAOYSA-N 0 0 159.232 2.760 10 30 AFEERN Cc1ccc(C)c(C(=O)[C@H](C)C#N)c1 36935087 168804437 /nfs/dbraw/zinc/80/44/37/168804437.db2.gz BOFZHNIYXHOBQG-SNVBAGLBSA-N 0 0 187.242 2.646 10 30 AFEERN Cc1ccc(C)c(C2(C=O)CC2)c1 58518641 168804567 /nfs/dbraw/zinc/80/45/67/168804567.db2.gz FKCCRNBDQIENBT-UHFFFAOYSA-N 0 0 174.243 2.534 10 30 AFEERN Cc1ccc(C)c([C@@H](C=O)C2CC2)c1 41204206 168804776 /nfs/dbraw/zinc/80/47/76/168804776.db2.gz MYMPCGQOOKHABL-ZDUSSCGKSA-N 0 0 188.270 2.996 10 30 AFEERN Cc1ccc(C)c([C@H](C=O)C2CC2)c1 41204208 168804822 /nfs/dbraw/zinc/80/48/22/168804822.db2.gz MYMPCGQOOKHABL-CYBMUJFWSA-N 0 0 188.270 2.996 10 30 AFEERN Cc1ccc(C)c([C@@]2(C)CO2)c1 19729130 168804986 /nfs/dbraw/zinc/80/49/86/168804986.db2.gz JDBFHFLZNQJZHI-LLVKDONJSA-N 0 0 162.232 2.549 10 30 AFEERN Cc1ccc(C)c(NC[C@H](C)C#N)c1 32008137 168805048 /nfs/dbraw/zinc/80/50/48/168805048.db2.gz UEMRHWQIPOXLIV-SNVBAGLBSA-N 0 0 188.274 2.875 10 30 AFEERN Cc1ccc(C)c(O[C@@H](C)C#N)c1 11834483 168805320 /nfs/dbraw/zinc/80/53/20/168805320.db2.gz SAWQUTSAJKCLNE-JTQLQIEISA-N 0 0 175.231 2.594 10 30 AFEERN Cc1ccc(C)c(O[C@H](C)C#N)c1 11834481 168805350 /nfs/dbraw/zinc/80/53/50/168805350.db2.gz SAWQUTSAJKCLNE-SNVBAGLBSA-N 0 0 175.231 2.594 10 30 AFEERN Cc1ccc(C)c(OCCC=O)c1C 11569664 168805798 /nfs/dbraw/zinc/80/57/98/168805798.db2.gz QOGOBHGZEFGFDG-UHFFFAOYSA-N 0 0 192.258 2.580 10 30 AFEERN Cc1ccc(C)c(OCC#N)c1C 11834376 168805956 /nfs/dbraw/zinc/80/59/56/168805956.db2.gz ROGFERWJNFYYFP-UHFFFAOYSA-N 0 0 175.231 2.514 10 30 AFEERN Cc1ccc(C)c(OCCC#N)c1C 36961383 168806054 /nfs/dbraw/zinc/80/60/54/168806054.db2.gz UDLJVRKEUZAZEK-UHFFFAOYSA-N 0 0 189.258 2.904 10 30 AFEERN Cc1ccc(C)c2ncc(C#N)cc12 49805753 168806765 /nfs/dbraw/zinc/80/67/65/168806765.db2.gz KSIUUXYLJIXNLW-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN Cc1ccc(CCC=O)cc1Cl 71499252 168809556 /nfs/dbraw/zinc/80/95/56/168809556.db2.gz QETMRZFEAJJZOB-UHFFFAOYSA-N 0 0 182.650 2.780 10 30 AFEERN Cc1ccc(CCC#N)cc1C 36203721 168809864 /nfs/dbraw/zinc/80/98/64/168809864.db2.gz RTLIPOJZEZPTLW-UHFFFAOYSA-N 0 0 159.232 2.760 10 30 AFEERN Cc1ccc(CSCC#N)cc1 58254541 168816404 /nfs/dbraw/zinc/81/64/04/168816404.db2.gz UPPOBXCIZCRFPC-UHFFFAOYSA-N 0 0 177.272 2.752 10 30 AFEERN Cc1ccc(C[C@H](C)C=O)c(C)c1 2046169 168817819 /nfs/dbraw/zinc/81/78/19/168817819.db2.gz ZCBYIAQXEDBIPK-JTQLQIEISA-N 0 0 176.259 2.681 10 30 AFEERN Cc1ccc(NC[C@H](C)C#N)c(F)c1 36677341 168825692 /nfs/dbraw/zinc/82/56/92/168825692.db2.gz AHXOVDASCOKDKS-SECBINFHSA-N 0 0 192.237 2.706 10 30 AFEERN Cc1ccc(NCCCC#N)cc1F 20053814 168825782 /nfs/dbraw/zinc/82/57/82/168825782.db2.gz RGJPWOLWCAEINF-UHFFFAOYSA-N 0 0 192.237 2.850 10 30 AFEERN Cc1ccc(NCCCC#N)c(F)c1 20359914 168825847 /nfs/dbraw/zinc/82/58/47/168825847.db2.gz YNLCHSNEYCOJPX-UHFFFAOYSA-N 0 0 192.237 2.850 10 30 AFEERN Cc1ccc(NCC#N)c(Cl)c1 20366624 168825990 /nfs/dbraw/zinc/82/59/90/168825990.db2.gz ZDCDBMOETYBTFV-UHFFFAOYSA-N 0 0 180.638 2.584 10 30 AFEERN Cc1ccc(NC[C@H](C)C#N)cc1 32006810 168826110 /nfs/dbraw/zinc/82/61/10/168826110.db2.gz ODUUDCDAOAPNEG-SNVBAGLBSA-N 0 0 174.247 2.567 10 30 AFEERN Cc1ccc(NC[C@H](C)C#N)c(C)c1 32008134 168826411 /nfs/dbraw/zinc/82/64/11/168826411.db2.gz JFPHSAVRVFLBKQ-SNVBAGLBSA-N 0 0 188.274 2.875 10 30 AFEERN Cc1ccc(N[C@H](C)C#N)c(C)c1 47826240 168826766 /nfs/dbraw/zinc/82/67/66/168826766.db2.gz CTWAATPJBDRIAL-SNVBAGLBSA-N 0 0 174.247 2.627 10 30 AFEERN Cc1ccc(N[C@@H](C#N)C2CC2)cc1 41047341 168827186 /nfs/dbraw/zinc/82/71/86/168827186.db2.gz QFOGDZYVKBUUHZ-LBPRGKRZSA-N 0 0 186.258 2.709 10 30 AFEERN Cc1ccc(N[C@H](C#N)C(C)C)cc1 41049457 168827235 /nfs/dbraw/zinc/82/72/35/168827235.db2.gz QHOVTNRLQPNVMN-GFCCVEGCSA-N 0 0 188.274 2.955 10 30 AFEERN Cc1ccc(N[C@@H](C)CC#N)cc1 32006801 168827306 /nfs/dbraw/zinc/82/73/06/168827306.db2.gz AWZWUBCVTGOQSK-JTQLQIEISA-N 0 0 174.247 2.709 10 30 AFEERN Cc1ccc(N[C@@H](C)C#N)c(C)c1 47826238 168827646 /nfs/dbraw/zinc/82/76/46/168827646.db2.gz CTWAATPJBDRIAL-JTQLQIEISA-N 0 0 174.247 2.627 10 30 AFEERN Cc1ccc(N[C@@H](C)C#N)cc1Cl 43514029 168828158 /nfs/dbraw/zinc/82/81/58/168828158.db2.gz ITBOJPFBVMNKAA-QMMMGPOBSA-N 0 0 194.665 2.972 10 30 AFEERN Cc1ccc(OC(C)C)c(C#N)c1 36195788 168828843 /nfs/dbraw/zinc/82/88/43/168828843.db2.gz FSGZCTBWERWCDF-UHFFFAOYSA-N 0 0 175.231 2.654 10 30 AFEERN Cc1ccc(OCC(C)C)c(C#N)c1 36195651 168830327 /nfs/dbraw/zinc/83/03/27/168830327.db2.gz NZUVRXSNJHHBJI-UHFFFAOYSA-N 0 0 189.258 2.902 10 30 AFEERN Cc1ccc(OCCCC#N)c(C)c1 19439401 168830724 /nfs/dbraw/zinc/83/07/24/168830724.db2.gz MFHRQLAASHDCOI-UHFFFAOYSA-N 0 0 189.258 2.986 10 30 AFEERN Cc1ccc(O[C@H](C)C#N)cc1C 11834489 168831045 /nfs/dbraw/zinc/83/10/45/168831045.db2.gz DFGJMTRZKAJEQV-SNVBAGLBSA-N 0 0 175.231 2.594 10 30 AFEERN Cc1ccc(O[C@H](C)C#N)c(C)c1 11834493 168831512 /nfs/dbraw/zinc/83/15/12/168831512.db2.gz DUPQAKDVZQOYRB-SNVBAGLBSA-N 0 0 175.231 2.594 10 30 AFEERN Cc1ccc(OCCS)c(C)c1 41202186 168831886 /nfs/dbraw/zinc/83/18/86/168831886.db2.gz KZWCWIDPVMAUOZ-UHFFFAOYSA-N 0 0 182.288 2.612 10 30 AFEERN Cc1ccc(OCCC#N)c(C)c1 19432682 168832188 /nfs/dbraw/zinc/83/21/88/168832188.db2.gz KKZQNEMLYDDZIZ-UHFFFAOYSA-N 0 0 175.231 2.596 10 30 AFEERN Cc1ccc(SC[C@@H]2CO2)c(C)c1 19863837 168833600 /nfs/dbraw/zinc/83/36/00/168833600.db2.gz SDCGEJVVQVWDBS-JTQLQIEISA-N 0 0 194.299 2.794 10 30 AFEERN Cc1ccc([C@@H](C)CC=O)cc1 39184778 168833660 /nfs/dbraw/zinc/83/36/60/168833660.db2.gz FHIWJBQSAPYCSB-JTQLQIEISA-N 0 0 162.232 2.688 10 30 AFEERN Cc1ccc([C@@H](C)C=O)cc1C 32006092 168833692 /nfs/dbraw/zinc/83/36/92/168833692.db2.gz NDBYYXUPCHLAHB-JTQLQIEISA-N 0 0 162.232 2.606 10 30 AFEERN Cc1ccc([C@@H](C)C#N)cc1C 19728852 168833771 /nfs/dbraw/zinc/83/37/71/168833771.db2.gz YLCFCVZONWUKMC-JTQLQIEISA-N 0 0 159.232 2.931 10 30 AFEERN Cc1ccc([C@@H](C)C#N)c(C)c1 37245449 168834055 /nfs/dbraw/zinc/83/40/55/168834055.db2.gz FVFZMEKGYKBQTR-JTQLQIEISA-N 0 0 159.232 2.931 10 30 AFEERN Cc1ccc([C@@H](C#N)CC#N)cc1 41168314 168834162 /nfs/dbraw/zinc/83/41/62/168834162.db2.gz MNBJTIHECSNJNP-LLVKDONJSA-N 0 0 170.215 2.516 10 30 AFEERN Cc1ccc([C@@H](C#N)NC(C)C)s1 41675142 168834187 /nfs/dbraw/zinc/83/41/87/168834187.db2.gz XNQHVRODVMWPDT-SECBINFHSA-N 0 0 194.303 2.619 10 30 AFEERN Cc1ccc([C@@H](C=O)C(C)C)cc1 32006911 168836264 /nfs/dbraw/zinc/83/62/64/168836264.db2.gz HCYDWLZTHZTLOG-LBPRGKRZSA-N 0 0 176.259 2.934 10 30 AFEERN Cc1ccc([C@H](C#N)NC(C)C)cc1 19987985 168839476 /nfs/dbraw/zinc/83/94/76/168839476.db2.gz PLQYWWOFFRBWHC-LBPRGKRZSA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccc([C@@H]2C[C@@H]2C#N)cc1 41167356 168839754 /nfs/dbraw/zinc/83/97/54/168839754.db2.gz BOEIOPNDFAWQIB-MNOVXSKESA-N 0 0 157.216 2.622 10 30 AFEERN Cc1ccc([C@H](C)N[C@@H](C)C#N)s1 43515440 168840182 /nfs/dbraw/zinc/84/01/82/168840182.db2.gz UQNMIFGEZPPUDL-CBAPKCEASA-N 0 0 194.303 2.619 10 30 AFEERN Cc1ccc([C@H](C)N[C@H](C)C#N)cc1 43515540 168840981 /nfs/dbraw/zinc/84/09/81/168840981.db2.gz TZFHZCUHUZHHLS-MNOVXSKESA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccc([C@H](C=O)C(C)C)cc1 32006909 168841125 /nfs/dbraw/zinc/84/11/25/168841125.db2.gz HCYDWLZTHZTLOG-GFCCVEGCSA-N 0 0 176.259 2.934 10 30 AFEERN Cc1ccc([C@H](O)CCC#N)cc1C 41204591 168841646 /nfs/dbraw/zinc/84/16/46/168841646.db2.gz LVAFBAHBDMCZJK-GFCCVEGCSA-N 0 0 189.258 2.641 10 30 AFEERN Cc1ccc([C@H](O)CCC#N)c(C)c1 41204615 168842864 /nfs/dbraw/zinc/84/28/64/168842864.db2.gz AYCWWSKAWHLQEY-GFCCVEGCSA-N 0 0 189.258 2.641 10 30 AFEERN Cc1ccc([C@]2(C)CO2)cc1C 19729129 168844548 /nfs/dbraw/zinc/84/45/48/168844548.db2.gz FHQAYIFKYCZMNI-NSHDSACASA-N 0 0 162.232 2.549 10 30 AFEERN Cc1ccc([C@](C)(C#N)CC#N)cc1 75576612 168844555 /nfs/dbraw/zinc/84/45/55/168844555.db2.gz JANREDPTWZLKJD-LBPRGKRZSA-N 0 0 184.242 2.690 10 30 AFEERN Cc1ccc2c(CC#N)c(C)[nH]c2c1 82588079 168845780 /nfs/dbraw/zinc/84/57/80/168845780.db2.gz NJVDOXHTNXHRQN-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN Cc1ccc2c(C)cc(C#N)nc2c1 77255653 168846701 /nfs/dbraw/zinc/84/67/01/168846701.db2.gz KYRNWMFIFDGLLA-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN Cc1ccc2c(c1)[C@H](C#N)CC2 41167386 168851789 /nfs/dbraw/zinc/85/17/89/168851789.db2.gz NWPNTWIBLREJTJ-JTQLQIEISA-N 0 0 157.216 2.548 10 30 AFEERN Cc1ccc2cc(C#N)nc(C)c2c1 77258558 168852614 /nfs/dbraw/zinc/85/26/14/168852614.db2.gz GHQFRKOBPYSNBW-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN Cc1ccc2c(c1C)OCC[C@H]2C#N 41203920 168852623 /nfs/dbraw/zinc/85/26/23/168852623.db2.gz SUFNXRKBWRFARK-JTQLQIEISA-N 0 0 187.242 2.693 10 30 AFEERN Cc1ccc2cc(C#N)cc(C)c2n1 82768440 168852680 /nfs/dbraw/zinc/85/26/80/168852680.db2.gz LAZSSLFFIORUKP-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN Cc1ccc2cc(C#N)cc(F)c2n1 82768441 168852689 /nfs/dbraw/zinc/85/26/89/168852689.db2.gz CAHQCBOPKTUOQA-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN Cc1ccc2cc(C#N)cnc2c1C 49805749 168853364 /nfs/dbraw/zinc/85/33/64/168853364.db2.gz NKEROKRWBRNTLK-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN Cc1ccc2cc(CC#N)ccc2n1 44368392 168853509 /nfs/dbraw/zinc/85/35/09/168853509.db2.gz PISNEUXNZUZWSG-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN Cc1cccc(-c2c[nH]cc2C#N)c1 104461629 168859423 /nfs/dbraw/zinc/85/94/23/168859423.db2.gz FEXNMFHQYMJGPQ-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN Cc1cccc(C(=O)[C@@H](C)C#N)c1C 36935177 168862413 /nfs/dbraw/zinc/86/24/13/168862413.db2.gz NTLOJDDMEYWTOF-VIFPVBQESA-N 0 0 187.242 2.646 10 30 AFEERN Cc1cccc(C)c1NC[C@@H](C)C#N 32008148 168862986 /nfs/dbraw/zinc/86/29/86/168862986.db2.gz FIXITNLCGUIUEJ-VIFPVBQESA-N 0 0 188.274 2.875 10 30 AFEERN Cc1cccc(CC(C)(C#N)C#N)c1 58520336 168863496 /nfs/dbraw/zinc/86/34/96/168863496.db2.gz OFVHRSXNMBAXER-UHFFFAOYSA-N 0 0 184.242 2.591 10 30 AFEERN Cc1cccc(C)c1OCCCC#N 19439026 168864362 /nfs/dbraw/zinc/86/43/62/168864362.db2.gz CBNLZKRIKJZBSL-UHFFFAOYSA-N 0 0 189.258 2.986 10 30 AFEERN Cc1cccc(N[C@@H](C#N)C2CC2)c1 41047351 168869848 /nfs/dbraw/zinc/86/98/48/168869848.db2.gz KKVLMDINCKUPDB-LBPRGKRZSA-N 0 0 186.258 2.709 10 30 AFEERN Cc1cccc(NC(C)(C)C#N)c1 37856830 168870075 /nfs/dbraw/zinc/87/00/75/168870075.db2.gz LAVFAEDBIMIUNI-UHFFFAOYSA-N 0 0 174.247 2.709 10 30 AFEERN Cc1cccc(OCCCC#N)c1 19509659 168871638 /nfs/dbraw/zinc/87/16/38/168871638.db2.gz NQLCKCNPJPBYDB-UHFFFAOYSA-N 0 0 175.231 2.678 10 30 AFEERN Cc1cccc([C@@H](C)C#N)c1C 75544142 168872072 /nfs/dbraw/zinc/87/20/72/168872072.db2.gz NVSGALJNBMVVCV-VIFPVBQESA-N 0 0 159.232 2.931 10 30 AFEERN Cc1cccc([C@@H](C#N)CC#N)c1 41168310 168872303 /nfs/dbraw/zinc/87/23/03/168872303.db2.gz DZNVSJAEQKUVDP-LLVKDONJSA-N 0 0 170.215 2.516 10 30 AFEERN Cc1cccc([C@H](C#N)NC(C)C)c1 19987570 168874748 /nfs/dbraw/zinc/87/47/48/168874748.db2.gz KQSZJGZWOOOBJA-LBPRGKRZSA-N 0 0 188.274 2.558 10 30 AFEERN Cc1cccc([C@H](O)[C@H](C)CC#N)c1 49806414 168875195 /nfs/dbraw/zinc/87/51/95/168875195.db2.gz BZPXOEKOYLGISH-ZYHUDNBSSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1cccc2c1CC[C@H]2C#N 41167392 168877883 /nfs/dbraw/zinc/87/78/83/168877883.db2.gz YGXQZTRIADKMBQ-VIFPVBQESA-N 0 0 157.216 2.548 10 30 AFEERN Cc1cccc2c1CC[C@@H]2C#N 41167390 168878298 /nfs/dbraw/zinc/87/82/98/168878298.db2.gz YGXQZTRIADKMBQ-SECBINFHSA-N 0 0 157.216 2.548 10 30 AFEERN Cc1ccccc1-c1nocc1C#N 71499500 168882629 /nfs/dbraw/zinc/88/26/29/168882629.db2.gz NACSFWYDJUBWNO-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN Cc1ccnc2c(F)cc(C#N)cc12 82768460 168891885 /nfs/dbraw/zinc/89/18/85/168891885.db2.gz LLGKTRJCVSLHOA-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN Cc1nc2ccc(CCS)cc2o1 77278161 168956982 /nfs/dbraw/zinc/95/69/82/168956982.db2.gz JLJXFAKJFOKLJF-UHFFFAOYSA-N 0 0 193.271 2.609 10 30 AFEERN Cc1oc(-n2cccc2)c(C#N)c1C 8912290 169007512 /nfs/dbraw/zinc/00/75/12/169007512.db2.gz HIEUTYAOMXDJQD-UHFFFAOYSA-N 0 0 186.214 2.559 10 30 AFEERN Cc1oc2ccccc2c1CC#N 75560938 169008909 /nfs/dbraw/zinc/00/89/09/169008909.db2.gz FOBLIGQMFZNTNP-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN Cc1oc2cccc(C)c2c1C#N 90562617 169010131 /nfs/dbraw/zinc/01/01/31/169010131.db2.gz HLZONFOYHSWGRL-UHFFFAOYSA-N 0 0 171.199 2.921 10 30 AFEERN Cc1oc2ccc(F)cc2c1C#N 90562621 169010165 /nfs/dbraw/zinc/01/01/65/169010165.db2.gz FXBFLNGUSSIFJA-UHFFFAOYSA-N 0 0 175.162 2.752 10 30 AFEERN Cc1occc1C(=O)C1=CCCC1 50325253 169010207 /nfs/dbraw/zinc/01/02/07/169010207.db2.gz IBXJOODPQHDBNN-UHFFFAOYSA-N 0 0 176.215 2.881 10 30 AFEERN Cc1oc2ccc(C#N)cc2c1C 83271660 169010212 /nfs/dbraw/zinc/01/02/12/169010212.db2.gz BQESLFQQZKMICX-UHFFFAOYSA-N 0 0 171.199 2.921 10 30 AFEERN Cc1sc(CC#N)nc1C(C)C 37755177 169015507 /nfs/dbraw/zinc/01/55/07/169015507.db2.gz WAFPRUZVHOJGQR-UHFFFAOYSA-N 0 0 180.276 2.641 10 30 AFEERN Cc1sc(N)c(C#N)c1C(C)C 37755162 169015628 /nfs/dbraw/zinc/01/56/28/169015628.db2.gz VJAHCKBCGAXFSU-UHFFFAOYSA-N 0 0 180.276 2.634 10 30 AFEERN Cc1ssc(=S)c1C#N 6068702 169016418 /nfs/dbraw/zinc/01/64/18/169016418.db2.gz KTVBKXXSYLZOSS-UHFFFAOYSA-N 0 0 173.287 2.719 10 30 AFEERN ClN=C1CCCCC1 39213187 169020561 /nfs/dbraw/zinc/02/05/61/169020561.db2.gz XUOGNYNFOFPBKN-UHFFFAOYSA-N 0 0 131.606 2.545 10 30 AFEERN Cn1cc(C#N)c2ccc(Cl)cc21 82588419 169036459 /nfs/dbraw/zinc/03/64/59/169036459.db2.gz SUPIYOSEYPDFDQ-UHFFFAOYSA-N 0 0 190.633 2.703 10 30 AFEERN Cn1cc(C#N)c2cc(N=[N+]=[N-])ccc21 33836141 169036481 /nfs/dbraw/zinc/03/64/81/169036481.db2.gz HQPAVWQLCDHGDB-UHFFFAOYSA-N 0 0 197.201 2.992 10 30 AFEERN Cn1cc(C#N)c2cccc(Cl)c21 82588417 169036572 /nfs/dbraw/zinc/03/65/72/169036572.db2.gz OKWPSCKFOYUMAY-UHFFFAOYSA-N 0 0 190.633 2.703 10 30 AFEERN Cn1cc(C#N)c2cc(Cl)ccc21 82588416 169036644 /nfs/dbraw/zinc/03/66/44/169036644.db2.gz GNUQBEYBGUOFGO-UHFFFAOYSA-N 0 0 190.633 2.703 10 30 AFEERN Cn1cc(CCC#N)c2ccccc21 75576628 169037569 /nfs/dbraw/zinc/03/75/69/169037569.db2.gz JDBRHODMJAICCZ-UHFFFAOYSA-N 0 0 184.242 2.634 10 30 AFEERN Cn1cc(CCS)c2ccccc21 39192045 169038422 /nfs/dbraw/zinc/03/84/22/169038422.db2.gz QDBUVJRKWGMGTP-UHFFFAOYSA-N 0 0 191.299 2.651 10 30 AFEERN F[C@H]1O[C@@]1(F)C1CCCCC1 39088957 169080342 /nfs/dbraw/zinc/08/03/42/169080342.db2.gz COFKXKRBVYWYPH-YUMQZZPRSA-N 0 0 162.179 2.558 10 30 AFEERN F[C@H]1O[C@]1(F)C1CCCCC1 39088956 169080762 /nfs/dbraw/zinc/08/07/62/169080762.db2.gz COFKXKRBVYWYPH-JGVFFNPUSA-N 0 0 162.179 2.558 10 30 AFEERN Fc1ccc(OCCCS)cc1 19421681 169083227 /nfs/dbraw/zinc/08/32/27/169083227.db2.gz NRNOBKCNLFQIOT-UHFFFAOYSA-N 0 0 186.251 2.524 10 30 AFEERN Fc1ccc(Cl)cc1CCS 83264485 169083406 /nfs/dbraw/zinc/08/34/06/169083406.db2.gz AVBSACXSZIAJSB-UHFFFAOYSA-N 0 0 190.670 2.951 10 30 AFEERN Fc1ccc2c(c1)CCC[C@H]1O[C@@H]21 16083225 169083959 /nfs/dbraw/zinc/08/39/59/169083959.db2.gz RDSWSDVJDFITBC-MNOVXSKESA-N 0 0 178.206 2.602 10 30 AFEERN Fc1ccc2c(c1)CCC[C@H]1O[C@H]21 19796285 169084230 /nfs/dbraw/zinc/08/42/30/169084230.db2.gz RDSWSDVJDFITBC-GHMZBOCLSA-N 0 0 178.206 2.602 10 30 AFEERN Fc1ccc2c(c1)CCC[C@@H]1O[C@@H]21 19796287 169084365 /nfs/dbraw/zinc/08/43/65/169084365.db2.gz RDSWSDVJDFITBC-QWRGUYRKSA-N 0 0 178.206 2.602 10 30 AFEERN Fc1ccc2c(c1)CCC[C@@H]1O[C@H]21 16083228 169084887 /nfs/dbraw/zinc/08/48/87/169084887.db2.gz RDSWSDVJDFITBC-WDEREUQCSA-N 0 0 178.206 2.602 10 30 AFEERN Fc1cccc(Cl)c1CCS 58521359 169086092 /nfs/dbraw/zinc/08/60/92/169086092.db2.gz JEIRKMDZHUBYOT-UHFFFAOYSA-N 0 0 190.670 2.951 10 30 AFEERN Fc1cccc(CCCS)c1 71496513 169086660 /nfs/dbraw/zinc/08/66/60/169086660.db2.gz BHBMGKGZAXADTM-UHFFFAOYSA-N 0 0 170.252 2.688 10 30 AFEERN Fc1ccccc1CCCS 58518410 169087923 /nfs/dbraw/zinc/08/79/23/169087923.db2.gz FUQMLPDPEROKGC-UHFFFAOYSA-N 0 0 170.252 2.688 10 30 AFEERN Fc1ccccc1C#CC1CC1 77286228 169088150 /nfs/dbraw/zinc/08/81/50/169088150.db2.gz SOQKPJODEXGRGG-UHFFFAOYSA-N 0 0 160.191 2.587 10 30 in-vitro AFEERN N#CCCCOCc1cccs1 49585401 169093902 /nfs/dbraw/zinc/09/39/02/169093902.db2.gz JYHVDIJHUFSQNJ-UHFFFAOYSA-N 0 0 181.260 2.568 10 30 AFEERN N#CCC[C@H](F)C(=O)c1ccccc1 39055149 169094577 /nfs/dbraw/zinc/09/45/77/169094577.db2.gz JNJAJYRQWUFBBD-JTQLQIEISA-N 0 0 191.205 2.511 10 30 AFEERN N#CCC[C@@H](O)c1ccc(Cl)cc1 41207180 169094634 /nfs/dbraw/zinc/09/46/34/169094634.db2.gz MYJHPNCGJZIDDN-SNVBAGLBSA-N 0 0 195.649 2.677 10 30 AFEERN N#CCCc1ccc(F)c(F)c1F 36203882 169094642 /nfs/dbraw/zinc/09/46/42/169094642.db2.gz KDMKCRWLVMDOFR-UHFFFAOYSA-N 0 0 185.148 2.560 10 30 AFEERN N#CCC[C@H](C#N)c1ccc(F)cc1 39375633 169094646 /nfs/dbraw/zinc/09/46/46/169094646.db2.gz IZWACIYEUVQLSK-SNVBAGLBSA-N 0 0 188.205 2.737 10 30 AFEERN N#CCC[C@@H]1C=CCCC1 39345846 169094695 /nfs/dbraw/zinc/09/46/95/169094695.db2.gz JOKVKKGFYMIDHA-SECBINFHSA-N 0 0 135.210 2.646 10 30 AFEERN N#CCC[C@H](O)c1cccc(Cl)c1 41207179 169094713 /nfs/dbraw/zinc/09/47/13/169094713.db2.gz WDVJVPVXOHWEGL-JTQLQIEISA-N 0 0 195.649 2.677 10 30 AFEERN N#CCCc1cc(Cl)ccc1F 82529801 169094740 /nfs/dbraw/zinc/09/47/40/169094740.db2.gz YAAAZNDUQPJQCU-UHFFFAOYSA-N 0 0 183.613 2.935 10 30 AFEERN N#CCC[C@H](O)c1ccccc1Cl 41207177 169094923 /nfs/dbraw/zinc/09/49/23/169094923.db2.gz YIHNUDRTJWLHBO-JTQLQIEISA-N 0 0 195.649 2.677 10 30 AFEERN N#CCCc1ccc(Cl)s1 44380138 169094944 /nfs/dbraw/zinc/09/49/44/169094944.db2.gz MMTFELBYINHSGJ-UHFFFAOYSA-N 0 0 171.652 2.858 10 30 AFEERN N#CCC[C@@H](O)c1ccccc1Cl 41207176 169094955 /nfs/dbraw/zinc/09/49/55/169094955.db2.gz YIHNUDRTJWLHBO-SNVBAGLBSA-N 0 0 195.649 2.677 10 30 AFEERN N#CCC[C@@H](F)C(=O)c1ccccc1 39055148 169095052 /nfs/dbraw/zinc/09/50/52/169095052.db2.gz JNJAJYRQWUFBBD-SNVBAGLBSA-N 0 0 191.205 2.511 10 30 AFEERN N#CCC[C@H](O)c1ccc(Cl)cc1 41207181 169095062 /nfs/dbraw/zinc/09/50/62/169095062.db2.gz MYJHPNCGJZIDDN-JTQLQIEISA-N 0 0 195.649 2.677 10 30 AFEERN N#CCCc1ccc(F)cc1Cl 42406778 169095114 /nfs/dbraw/zinc/09/51/14/169095114.db2.gz OGJHXRRBBIYVNK-UHFFFAOYSA-N 0 0 183.613 2.935 10 30 AFEERN N#CCC[C@@H](C#N)c1ccc(F)cc1 39375632 169095121 /nfs/dbraw/zinc/09/51/21/169095121.db2.gz IZWACIYEUVQLSK-JTQLQIEISA-N 0 0 188.205 2.737 10 30 AFEERN N#CCCc1c[nH]c2ccc(F)cc12 82588171 169095149 /nfs/dbraw/zinc/09/51/49/169095149.db2.gz SHPRPYVAYLESLG-UHFFFAOYSA-N 0 0 188.205 2.763 10 30 AFEERN N#CCCc1ccc(O)c(Cl)c1 62169954 169095174 /nfs/dbraw/zinc/09/51/74/169095174.db2.gz LBBWLLQLDCZWIN-UHFFFAOYSA-N 0 0 181.622 2.502 10 30 AFEERN N#CCCc1ccc2scnc2c1 82588201 169095227 /nfs/dbraw/zinc/09/52/27/169095227.db2.gz ULZWQKSMJBNRGN-UHFFFAOYSA-N 0 0 188.255 2.752 10 30 AFEERN N#CCC[C@@H](O)c1cccc(Cl)c1 41207178 169095235 /nfs/dbraw/zinc/09/52/35/169095235.db2.gz WDVJVPVXOHWEGL-SNVBAGLBSA-N 0 0 195.649 2.677 10 30 AFEERN N#CCCSc1cccs1 20078163 169095341 /nfs/dbraw/zinc/09/53/41/169095341.db2.gz KZTAEGKERWCTPW-UHFFFAOYSA-N 0 0 169.274 2.754 10 30 AFEERN N#CCCc1ccc(F)c(Cl)c1 36203865 169095359 /nfs/dbraw/zinc/09/53/59/169095359.db2.gz XXHXDONHTWCLDF-UHFFFAOYSA-N 0 0 183.613 2.935 10 30 AFEERN N#CCC[C@H]1C=CCCC1 39345845 169095396 /nfs/dbraw/zinc/09/53/96/169095396.db2.gz JOKVKKGFYMIDHA-VIFPVBQESA-N 0 0 135.210 2.646 10 30 AFEERN N#CCCc1c[nH]c2c(F)cccc12 82588174 169095433 /nfs/dbraw/zinc/09/54/33/169095433.db2.gz ZPDXQJBFUYCJTP-UHFFFAOYSA-N 0 0 188.205 2.763 10 30 AFEERN N#CCCc1cccc(CCC#N)c1 12475116 169095482 /nfs/dbraw/zinc/09/54/82/169095482.db2.gz PRNKOJAULIDNLU-UHFFFAOYSA-N 0 0 184.242 2.599 10 30 AFEERN N#CCCc1cc2ccccc2cn1 57354358 169095563 /nfs/dbraw/zinc/09/55/63/169095563.db2.gz QXRLTGBZRPJEBI-UHFFFAOYSA-N 0 0 182.226 2.691 10 30 AFEERN N#CCCc1c[nH]c2cc(F)ccc12 82391455 169095824 /nfs/dbraw/zinc/09/58/24/169095824.db2.gz RIJUAAYWOGNBDD-UHFFFAOYSA-N 0 0 188.205 2.763 10 30 AFEERN N#CCCSc1ccc(F)c(F)c1 37374915 169095866 /nfs/dbraw/zinc/09/58/66/169095866.db2.gz JXMRCOZCZQGPGH-UHFFFAOYSA-N 0 0 199.225 2.971 10 30 AFEERN N#CCCc1cccc2cc[nH]c12 89209318 169096061 /nfs/dbraw/zinc/09/60/61/169096061.db2.gz NPNCILYWZPKZDH-UHFFFAOYSA-N 0 0 170.215 2.624 10 30 AFEERN N#CCO[C@H]1CCCc2ccccc21 19487863 169098263 /nfs/dbraw/zinc/09/82/63/169098263.db2.gz JSKBAJDRNOOPOA-LBPRGKRZSA-N 0 0 187.242 2.604 10 30 AFEERN N#CCNc1cccc2c1CCCC2 20043477 169098275 /nfs/dbraw/zinc/09/82/75/169098275.db2.gz GWUXAAOUWDJOAA-UHFFFAOYSA-N 0 0 186.258 2.501 10 30 AFEERN N#CCO[C@@H]1CCCc2ccccc21 19487862 169098878 /nfs/dbraw/zinc/09/88/78/169098878.db2.gz JSKBAJDRNOOPOA-GFCCVEGCSA-N 0 0 187.242 2.604 10 30 AFEERN N#CCNc1cccc2ccccc12 20039249 169099270 /nfs/dbraw/zinc/09/92/70/169099270.db2.gz VZXUCJNHMKLQRW-UHFFFAOYSA-N 0 0 182.226 2.775 10 30 AFEERN N#CCNc1ccc2ccccc2c1 35206973 169099635 /nfs/dbraw/zinc/09/96/35/169099635.db2.gz IQEUXUTZPCCADI-UHFFFAOYSA-N 0 0 182.226 2.775 10 30 AFEERN N#CC[C@@H](O)c1cccc2ccccc12 75599874 169099762 /nfs/dbraw/zinc/09/97/62/169099762.db2.gz ZGYIXPXUGGEAKA-CYBMUJFWSA-N 0 0 197.237 2.787 10 30 AFEERN N#CC[C@@H]1CNc2c(Cl)cccc21 71487069 169100136 /nfs/dbraw/zinc/10/01/36/169100136.db2.gz FCRXKLLDGNNZSR-SSDOTTSWSA-N 0 0 192.649 2.763 10 30 AFEERN N#CCSCc1cccc(F)c1 58254650 169100260 /nfs/dbraw/zinc/10/02/60/169100260.db2.gz QEIDKXGDPKTOQD-UHFFFAOYSA-N 0 0 181.235 2.582 10 30 AFEERN Cc1nc(C#N)c(-c2ccccc2)o1 77270933 168930486 /nfs/dbraw/zinc/93/04/86/168930486.db2.gz FGNBAEQMSVLBFP-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN Cc1nc(C(C)(C)C)sc1CC#N 82420617 168931960 /nfs/dbraw/zinc/93/19/60/168931960.db2.gz KKPXKFXMYYVJOW-UHFFFAOYSA-N 0 0 194.303 2.815 10 30 AFEERN Cc1nc(C(C)(C)C)ccc1C#N 82480737 168932330 /nfs/dbraw/zinc/93/23/30/168932330.db2.gz YFDDTRRLUSZGFV-UHFFFAOYSA-N 0 0 174.247 2.559 10 30 AFEERN Cc1nc(C(C)(C)C)sc1C#N 82420608 168932376 /nfs/dbraw/zinc/93/23/76/168932376.db2.gz QCVNANMDVYOEJC-UHFFFAOYSA-N 0 0 180.276 2.621 10 30 AFEERN N#CC[C@@H]1CCCOc2ccccc21 62567388 169100325 /nfs/dbraw/zinc/10/03/25/169100325.db2.gz UPPMIXDWXGUANV-JTQLQIEISA-N 0 0 187.242 2.856 10 30 AFEERN N#CC[C@@]1(C#N)CCCc2ccccc21 4377840 169100391 /nfs/dbraw/zinc/10/03/91/169100391.db2.gz HQVXJHALBFOQIM-CYBMUJFWSA-N 0 0 196.253 2.698 10 30 AFEERN N#CC[C@@H]1CCC[C@]12CCCCC2=O 39112169 169100410 /nfs/dbraw/zinc/10/04/10/169100410.db2.gz UJZDZJBTLPZIFU-CMPLNLGQSA-N 0 0 191.274 2.830 10 30 AFEERN N#CCSc1ccc(F)c(F)c1 37374907 169100411 /nfs/dbraw/zinc/10/04/11/169100411.db2.gz JFOMVYLWTHDKST-UHFFFAOYSA-N 0 0 185.198 2.580 10 30 AFEERN N#CCSc1ccc(Cl)cc1N 19815461 169100452 /nfs/dbraw/zinc/10/04/52/169100452.db2.gz XHIYNIWKXZBFRD-UHFFFAOYSA-N 0 0 198.678 2.538 10 30 AFEERN N#CC[C@@H]1CNc2ccc(Cl)cc21 71487023 169100453 /nfs/dbraw/zinc/10/04/53/169100453.db2.gz SBIPGRLSYFLBAT-SSDOTTSWSA-N 0 0 192.649 2.763 10 30 AFEERN N#CC[C@@H]1CCC[C@@]12CCCCC2=O 39112168 169100520 /nfs/dbraw/zinc/10/05/20/169100520.db2.gz UJZDZJBTLPZIFU-JQWIXIFHSA-N 0 0 191.274 2.830 10 30 AFEERN N#CCSc1cc(F)ccc1F 35121668 169100727 /nfs/dbraw/zinc/10/07/27/169100727.db2.gz DIMSYNOODHJWSG-UHFFFAOYSA-N 0 0 185.198 2.580 10 30 AFEERN N#CCSc1ccc(N)cc1Cl 37205047 169100731 /nfs/dbraw/zinc/10/07/31/169100731.db2.gz MAMLOFUKYHTUHQ-UHFFFAOYSA-N 0 0 198.678 2.538 10 30 AFEERN N#CCSc1cc2ccccc2[nH]1 87115381 169100736 /nfs/dbraw/zinc/10/07/36/169100736.db2.gz CWJVJGSIZDTKAQ-UHFFFAOYSA-N 0 0 188.255 2.784 10 30 AFEERN N#CC[C@@H]1CNc2cc(Cl)ccc21 71487041 169101125 /nfs/dbraw/zinc/10/11/25/169101125.db2.gz ASKCIRGVIAFVKR-SSDOTTSWSA-N 0 0 192.649 2.763 10 30 AFEERN N#CC[C@@H]1CCc2ccccc21 75543127 169101273 /nfs/dbraw/zinc/10/12/73/169101273.db2.gz PLUVXNOSEACTMD-JTQLQIEISA-N 0 0 157.216 2.630 10 30 AFEERN N#CCSCc1ccccc1F 58254557 169101337 /nfs/dbraw/zinc/10/13/37/169101337.db2.gz JNJZPNLPJXJPAY-UHFFFAOYSA-N 0 0 181.235 2.582 10 30 AFEERN N#CCSc1c(N)cccc1Cl 37204333 169101357 /nfs/dbraw/zinc/10/13/57/169101357.db2.gz OPOLVNVNJMHJPL-UHFFFAOYSA-N 0 0 198.678 2.538 10 30 AFEERN N#CCc1cc(F)ccc1C(F)F 44370593 169101616 /nfs/dbraw/zinc/10/16/16/169101616.db2.gz JJYGPQWTQHNZRK-UHFFFAOYSA-N 0 0 185.148 2.829 10 30 AFEERN N#CC[C@]1(C#N)CCCc2ccccc21 4377841 169101625 /nfs/dbraw/zinc/10/16/25/169101625.db2.gz HQVXJHALBFOQIM-ZDUSSCGKSA-N 0 0 196.253 2.698 10 30 AFEERN N#CC[C@H]1CCC[C@]12CCCCC2=O 39112167 169101674 /nfs/dbraw/zinc/10/16/74/169101674.db2.gz UJZDZJBTLPZIFU-ZYHUDNBSSA-N 0 0 191.274 2.830 10 30 AFEERN N#CC[C@H]1CNc2c(Cl)cccc21 71487067 169101906 /nfs/dbraw/zinc/10/19/06/169101906.db2.gz FCRXKLLDGNNZSR-ZETCQYMHSA-N 0 0 192.649 2.763 10 30 AFEERN N#CCc1ccc(-c2ccncc2)cc1 34206859 169101934 /nfs/dbraw/zinc/10/19/34/169101934.db2.gz MBRDVWDREQOFHW-UHFFFAOYSA-N 0 0 194.237 2.815 10 30 AFEERN N#CCc1c(O)ccc2ccccc12 39193046 169101984 /nfs/dbraw/zinc/10/19/84/169101984.db2.gz LBKOFRPWHDKPDX-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN N#CCc1cc[nH]c1-c1ccccc1 77860131 169102042 /nfs/dbraw/zinc/10/20/42/169102042.db2.gz HOHSKJPHBGFCPO-UHFFFAOYSA-N 0 0 182.226 2.748 10 30 AFEERN N#CC[C@H]1CCc2ccccc21 75543125 169102091 /nfs/dbraw/zinc/10/20/91/169102091.db2.gz PLUVXNOSEACTMD-SNVBAGLBSA-N 0 0 157.216 2.630 10 30 AFEERN N#CCc1cc(C(F)F)ccc1F 44370733 169102101 /nfs/dbraw/zinc/10/21/01/169102101.db2.gz SIFIWBQCIYLOKN-UHFFFAOYSA-N 0 0 185.148 2.829 10 30 AFEERN N#CC[C@H]1CCCOc2ccccc21 62567390 169102161 /nfs/dbraw/zinc/10/21/61/169102161.db2.gz UPPMIXDWXGUANV-SNVBAGLBSA-N 0 0 187.242 2.856 10 30 AFEERN N#CCc1cc(F)c(F)c2cc[nH]c12 44370988 169102448 /nfs/dbraw/zinc/10/24/48/169102448.db2.gz RVBBDBWZVBMNAG-UHFFFAOYSA-N 0 0 192.168 2.512 10 30 AFEERN N#CCc1cc2cc(F)ccc2o1 95626847 169102482 /nfs/dbraw/zinc/10/24/82/169102482.db2.gz UQRXVVHOLFQAQE-UHFFFAOYSA-N 0 0 175.162 2.638 10 30 AFEERN N#CC[C@H]1CCC[C@@]12CCCCC2=O 39112166 169102665 /nfs/dbraw/zinc/10/26/65/169102665.db2.gz UJZDZJBTLPZIFU-PWSUYJOCSA-N 0 0 191.274 2.830 10 30 AFEERN N#CCc1ccc(C(F)F)c(F)c1 44370598 169102688 /nfs/dbraw/zinc/10/26/88/169102688.db2.gz ICIAQZCGEVRNHK-UHFFFAOYSA-N 0 0 185.148 2.829 10 30 AFEERN N#CCc1ccc(C=C(F)F)cc1 44371361 169102715 /nfs/dbraw/zinc/10/27/15/169102715.db2.gz UBWUNOGONAEBPZ-UHFFFAOYSA-N 0 0 179.169 2.990 10 30 AFEERN N#CCc1cc(F)cc(C(F)F)c1 44370815 169102763 /nfs/dbraw/zinc/10/27/63/169102763.db2.gz RAFQLLOZNHNZLP-UHFFFAOYSA-N 0 0 185.148 2.829 10 30 AFEERN N#CC[C@H]1CNc2ccc(Cl)cc21 71487025 169102825 /nfs/dbraw/zinc/10/28/25/169102825.db2.gz SBIPGRLSYFLBAT-ZETCQYMHSA-N 0 0 192.649 2.763 10 30 AFEERN N#CC[C@H]1CNc2cc(Cl)ccc21 71487039 169102859 /nfs/dbraw/zinc/10/28/59/169102859.db2.gz ASKCIRGVIAFVKR-ZETCQYMHSA-N 0 0 192.649 2.763 10 30 AFEERN N#CCc1cc2ccc(F)cc2o1 95626855 169102908 /nfs/dbraw/zinc/10/29/08/169102908.db2.gz ATDKUYIYRQVBJF-UHFFFAOYSA-N 0 0 175.162 2.638 10 30 AFEERN N#CC[C@H](O)c1cccc2ccccc12 75599876 169102952 /nfs/dbraw/zinc/10/29/52/169102952.db2.gz ZGYIXPXUGGEAKA-ZDUSSCGKSA-N 0 0 197.237 2.787 10 30 AFEERN N#CCc1ccc2c(O)cccc2c1 75576241 169103395 /nfs/dbraw/zinc/10/33/95/169103395.db2.gz XJWKQMQZKKPYDU-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN N#CCc1cccc(-n2cccc2)c1 44370206 169103491 /nfs/dbraw/zinc/10/34/91/169103491.db2.gz NEIWYKAHCCBBEW-UHFFFAOYSA-N 0 0 182.226 2.543 10 30 AFEERN N#CCc1ccc2ccsc2c1 89195381 169103649 /nfs/dbraw/zinc/10/36/49/169103649.db2.gz PHXLUKJASSMSGZ-UHFFFAOYSA-N 0 0 173.240 2.967 10 30 AFEERN N#CCc1ccc2ccccc2c1O 75576240 169103750 /nfs/dbraw/zinc/10/37/50/169103750.db2.gz VCLZSWDXZNYUQB-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN N#CCc1ccc2cc(O)ccc2c1 75576242 169104259 /nfs/dbraw/zinc/10/42/59/169104259.db2.gz PWWQFJOWVJPYCO-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN N#CCc1ccc(OCC2CC2)cc1 36765352 169104303 /nfs/dbraw/zinc/10/43/03/169104303.db2.gz HXNSTBLJCRJMFF-UHFFFAOYSA-N 0 0 187.242 2.541 10 30 AFEERN N#CCc1ccccc1-c1ccccn1 95931790 169104494 /nfs/dbraw/zinc/10/44/94/169104494.db2.gz GJSJUVZGDIXFNK-UHFFFAOYSA-N 0 0 194.237 2.815 10 30 AFEERN N#CCc1ccccc1-n1cccc1 75576002 169104540 /nfs/dbraw/zinc/10/45/40/169104540.db2.gz PQOSCSREAMQXOO-UHFFFAOYSA-N 0 0 182.226 2.543 10 30 AFEERN N#CCc1cccc2sccc12 89195329 169104588 /nfs/dbraw/zinc/10/45/88/169104588.db2.gz FJJKASWYLULLDH-UHFFFAOYSA-N 0 0 173.240 2.967 10 30 AFEERN N#CCc1nc2ccc(Cl)cc2o1 82388570 169105826 /nfs/dbraw/zinc/10/58/26/169105826.db2.gz JWQJBCDTFRVWHB-UHFFFAOYSA-N 0 0 192.605 2.547 10 30 AFEERN N#CCc1noc2ccc(Cl)cc12 75581073 169106407 /nfs/dbraw/zinc/10/64/07/169106407.db2.gz GZOBJQRYHCYYNR-UHFFFAOYSA-N 0 0 192.605 2.547 10 30 AFEERN N#C[C@@H]1CCCCC[C@H]1n1ccnc1 37147400 169107492 /nfs/dbraw/zinc/10/74/92/169107492.db2.gz LWWVSQACMOLBMZ-WDEREUQCSA-N 0 0 189.262 2.528 10 30 AFEERN N#C[C@@H]1CCCO[C@H]1c1ccccc1 34455168 169107531 /nfs/dbraw/zinc/10/75/31/169107531.db2.gz VFULZOPRPVKJAA-RYUDHWBXSA-N 0 0 187.242 2.678 10 30 AFEERN N#C[C@@H]1CCCO[C@@H]1c1ccccc1 34455167 169107614 /nfs/dbraw/zinc/10/76/14/169107614.db2.gz VFULZOPRPVKJAA-NWDGAFQWSA-N 0 0 187.242 2.678 10 30 AFEERN N#C[C@@H]1CCOc2c(Cl)cccc21 41206562 169107636 /nfs/dbraw/zinc/10/76/36/169107636.db2.gz IAQDNPYUXBUUSG-ZETCQYMHSA-N 0 0 193.633 2.730 10 30 AFEERN N#C[C@@H]1CCc2cccc(Cl)c2C1 57937194 169107653 /nfs/dbraw/zinc/10/76/53/169107653.db2.gz YPFGSIYSLHKWRR-MRVPVSSYSA-N 0 0 191.661 2.968 10 30 AFEERN N#C[C@@H]1CCc2c(Cl)cccc21 41200258 169107711 /nfs/dbraw/zinc/10/77/11/169107711.db2.gz FIJIITWAPGLEJQ-ZETCQYMHSA-N 0 0 177.634 2.893 10 30 AFEERN N#C[C@@H]1CCC[C@@H]1Nc1ccccc1 54822806 169107724 /nfs/dbraw/zinc/10/77/24/169107724.db2.gz LEAHBSVKJJZMPX-JQWIXIFHSA-N 0 0 186.258 2.791 10 30 AFEERN N#C[C@@H]1CCC[C@H]1Nc1ccccc1 54822805 169107781 /nfs/dbraw/zinc/10/77/81/169107781.db2.gz LEAHBSVKJJZMPX-CMPLNLGQSA-N 0 0 186.258 2.791 10 30 AFEERN N#C[C@@H]1CCCc2sccc21 38251133 169107852 /nfs/dbraw/zinc/10/78/52/169107852.db2.gz IQCDWMKOBOPLEN-ZETCQYMHSA-N 0 0 163.245 2.692 10 30 AFEERN N#C[C@@H]1CCCOc2ccc(F)cc21 62567565 169108005 /nfs/dbraw/zinc/10/80/05/169108005.db2.gz XDLNFRXMMGBUOV-QMMMGPOBSA-N 0 0 191.205 2.605 10 30 AFEERN N#C[C@@H]1CCCCC[C@@H]1n1ccnc1 37147401 169108140 /nfs/dbraw/zinc/10/81/40/169108140.db2.gz LWWVSQACMOLBMZ-QWRGUYRKSA-N 0 0 189.262 2.528 10 30 AFEERN N#C[C@@H]1CCCC[C@@H]1c1cccnc1 62567308 169108392 /nfs/dbraw/zinc/10/83/92/169108392.db2.gz DMGRHJXOOGEBQS-JQWIXIFHSA-N 0 0 186.258 2.879 10 30 AFEERN N#C[C@@H]1CCCOc2cc(F)ccc21 62567570 169108401 /nfs/dbraw/zinc/10/84/01/169108401.db2.gz RSLVWHLRZWVGHW-QMMMGPOBSA-N 0 0 191.205 2.605 10 30 AFEERN N#C[C@@H]1CCCCC[C@H]1n1cccn1 37147328 169108508 /nfs/dbraw/zinc/10/85/08/169108508.db2.gz MEZHUOHDUPTGAZ-WDEREUQCSA-N 0 0 189.262 2.528 10 30 AFEERN N#C[C@@H]1CCCc2ccc(F)cc21 41199065 169108509 /nfs/dbraw/zinc/10/85/09/169108509.db2.gz AAYKZECNUSDMSP-VIFPVBQESA-N 0 0 175.206 2.769 10 30 AFEERN N#C[C@@H]1CCCOc2c(F)cccc21 62567563 169108585 /nfs/dbraw/zinc/10/85/85/169108585.db2.gz UTGPPXBSTUVVBN-QMMMGPOBSA-N 0 0 191.205 2.605 10 30 AFEERN N#C[C@@H]1CCc2cc(Cl)ccc2C1 57937190 169108832 /nfs/dbraw/zinc/10/88/32/169108832.db2.gz FSAKPWDIZHCVTH-MRVPVSSYSA-N 0 0 191.661 2.968 10 30 AFEERN N#C[C@@H]1CCCCC[C@@H]1n1cccn1 37147329 169108883 /nfs/dbraw/zinc/10/88/83/169108883.db2.gz MEZHUOHDUPTGAZ-QWRGUYRKSA-N 0 0 189.262 2.528 10 30 AFEERN N#C[C@@H]1CCCC[C@H]1c1cccnc1 62567306 169108947 /nfs/dbraw/zinc/10/89/47/169108947.db2.gz DMGRHJXOOGEBQS-CMPLNLGQSA-N 0 0 186.258 2.879 10 30 AFEERN N#C[C@@H]1C[C@H]1c1ccc(Cl)cc1 41200228 169109335 /nfs/dbraw/zinc/10/93/35/169109335.db2.gz KGMNEQVUSYEJHX-WPRPVWTQSA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@@H]1C[C@@H]1c1cccc(Cl)c1 41200219 169109657 /nfs/dbraw/zinc/10/96/57/169109657.db2.gz IBZKLNCIBWSNHT-WCBMZHEXSA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@H](C(=O)C1CCC1)c1ccccc1 36930349 169110028 /nfs/dbraw/zinc/11/00/28/169110028.db2.gz OKLWFEZHLCUFET-LBPRGKRZSA-N 0 0 199.253 2.663 10 30 AFEERN N#C[C@@H]1C[C@@H]1c1ccccc1Cl 41200207 169110106 /nfs/dbraw/zinc/11/01/06/169110106.db2.gz IQDFJPIPFUQMLO-CBAPKCEASA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@@H]1C[C@H]1c1ccccc1Cl 41200204 169110139 /nfs/dbraw/zinc/11/01/39/169110139.db2.gz IQDFJPIPFUQMLO-IONNQARKSA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@@H]1C[C@H]1c1cccc(Cl)c1 41200216 169110307 /nfs/dbraw/zinc/11/03/07/169110307.db2.gz IBZKLNCIBWSNHT-WPRPVWTQSA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 41200231 169110328 /nfs/dbraw/zinc/11/03/28/169110328.db2.gz KGMNEQVUSYEJHX-WCBMZHEXSA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@H](C1CCCCC1)N1CCCC1 37355520 169110641 /nfs/dbraw/zinc/11/06/41/169110641.db2.gz LEMBZNMGBLJSAK-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN N#C[C@H](Cc1ccc[nH]1)c1ccccc1 169329392 169111097 /nfs/dbraw/zinc/11/10/97/169111097.db2.gz CKLUUAOHJNZYIP-LBPRGKRZSA-N 0 0 196.253 2.865 10 30 AFEERN N#C[C@H]1CCCOc2cc(F)ccc21 62567569 169111271 /nfs/dbraw/zinc/11/12/71/169111271.db2.gz RSLVWHLRZWVGHW-MRVPVSSYSA-N 0 0 191.205 2.605 10 30 AFEERN N#C[C@H]1CCCO[C@@H]1c1ccccc1 34455169 169111278 /nfs/dbraw/zinc/11/12/78/169111278.db2.gz VFULZOPRPVKJAA-VXGBXAGGSA-N 0 0 187.242 2.678 10 30 AFEERN N#C[C@H]1CCc2cccc(Cl)c2C1 57937196 169111313 /nfs/dbraw/zinc/11/13/13/169111313.db2.gz YPFGSIYSLHKWRR-QMMMGPOBSA-N 0 0 191.661 2.968 10 30 AFEERN N#C[C@H]1CCCC[C@@H]1c1cccnc1 62567304 169111326 /nfs/dbraw/zinc/11/13/26/169111326.db2.gz DMGRHJXOOGEBQS-PWSUYJOCSA-N 0 0 186.258 2.879 10 30 AFEERN N#C[C@H]1CCCc2ccc(F)cc21 41199068 169111668 /nfs/dbraw/zinc/11/16/68/169111668.db2.gz AAYKZECNUSDMSP-SECBINFHSA-N 0 0 175.206 2.769 10 30 AFEERN N#C[C@H]1CCCc2sccc21 38251134 169111707 /nfs/dbraw/zinc/11/17/07/169111707.db2.gz IQCDWMKOBOPLEN-SSDOTTSWSA-N 0 0 163.245 2.692 10 30 AFEERN N#C[C@H]1CCCC[C@H]1c1cccnc1 62567303 169111764 /nfs/dbraw/zinc/11/17/64/169111764.db2.gz DMGRHJXOOGEBQS-ZYHUDNBSSA-N 0 0 186.258 2.879 10 30 AFEERN N#C[C@H]1CC(=O)c2cccc(Cl)c21 57488451 169111774 /nfs/dbraw/zinc/11/17/74/169111774.db2.gz ZEZUJLJSICDPIK-ZCFIWIBFSA-N 0 0 191.617 2.534 10 30 AFEERN N#C[C@H]1CCCCC[C@H]1n1cccn1 37147326 169111913 /nfs/dbraw/zinc/11/19/13/169111913.db2.gz MEZHUOHDUPTGAZ-GHMZBOCLSA-N 0 0 189.262 2.528 10 30 AFEERN N#C[C@H]1CCC[C@H]1Nc1ccccc1 54822803 169112031 /nfs/dbraw/zinc/11/20/31/169112031.db2.gz LEAHBSVKJJZMPX-ZYHUDNBSSA-N 0 0 186.258 2.791 10 30 AFEERN N#C[C@H]1CCCOc2ccc(F)cc21 62567567 169112044 /nfs/dbraw/zinc/11/20/44/169112044.db2.gz XDLNFRXMMGBUOV-MRVPVSSYSA-N 0 0 191.205 2.605 10 30 AFEERN N#C[C@H]1CCc2cc(Cl)ccc2C1 57937187 169112053 /nfs/dbraw/zinc/11/20/53/169112053.db2.gz FSAKPWDIZHCVTH-QMMMGPOBSA-N 0 0 191.661 2.968 10 30 AFEERN N#C[C@H]1CCc2c(Cl)cccc21 41200255 169112073 /nfs/dbraw/zinc/11/20/73/169112073.db2.gz FIJIITWAPGLEJQ-SSDOTTSWSA-N 0 0 177.634 2.893 10 30 AFEERN N#C[C@H]1CCCOc2c(F)cccc21 62567561 169112119 /nfs/dbraw/zinc/11/21/19/169112119.db2.gz UTGPPXBSTUVVBN-MRVPVSSYSA-N 0 0 191.205 2.605 10 30 AFEERN N#C[C@H]1CCCCC[C@@H]1n1ccnc1 37147399 169112174 /nfs/dbraw/zinc/11/21/74/169112174.db2.gz LWWVSQACMOLBMZ-MNOVXSKESA-N 0 0 189.262 2.528 10 30 AFEERN N#C[C@H]1CCCCC[C@H]1n1ccnc1 37147398 169112195 /nfs/dbraw/zinc/11/21/95/169112195.db2.gz LWWVSQACMOLBMZ-GHMZBOCLSA-N 0 0 189.262 2.528 10 30 AFEERN N#C[C@H]1CCOc2c(Cl)cccc21 41206561 169112234 /nfs/dbraw/zinc/11/22/34/169112234.db2.gz IAQDNPYUXBUUSG-SSDOTTSWSA-N 0 0 193.633 2.730 10 30 AFEERN N#C[C@H]1CC(=O)c2cc(Cl)ccc21 57488443 169112243 /nfs/dbraw/zinc/11/22/43/169112243.db2.gz BNDKLNLZHZWEFD-ZCFIWIBFSA-N 0 0 191.617 2.534 10 30 AFEERN N#C[C@H]1CCC[C@@H]1Nc1ccccc1 54822804 169112278 /nfs/dbraw/zinc/11/22/78/169112278.db2.gz LEAHBSVKJJZMPX-PWSUYJOCSA-N 0 0 186.258 2.791 10 30 AFEERN N#C[C@H]1CCCO[C@H]1c1ccccc1 34455170 169112306 /nfs/dbraw/zinc/11/23/06/169112306.db2.gz VFULZOPRPVKJAA-NEPJUHHUSA-N 0 0 187.242 2.678 10 30 AFEERN N#C[C@H]1CCCCC[C@@H]1n1cccn1 37147327 169112664 /nfs/dbraw/zinc/11/26/64/169112664.db2.gz MEZHUOHDUPTGAZ-MNOVXSKESA-N 0 0 189.262 2.528 10 30 AFEERN N#C[C@H]1C[C@@H]1c1cccc(Cl)c1 41200213 169112916 /nfs/dbraw/zinc/11/29/16/169112916.db2.gz IBZKLNCIBWSNHT-PSASIEDQSA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@H]1C[C@H]1c1ccccc1Cl 41200199 169112924 /nfs/dbraw/zinc/11/29/24/169112924.db2.gz IQDFJPIPFUQMLO-VXNVDRBHSA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@H]1C[C@@H]1c1ccc(Cl)cc1 41200225 169112971 /nfs/dbraw/zinc/11/29/71/169112971.db2.gz KGMNEQVUSYEJHX-PSASIEDQSA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@H]1C[C@H]1c1cccc(Cl)c1 41200210 169112997 /nfs/dbraw/zinc/11/29/97/169112997.db2.gz IBZKLNCIBWSNHT-SCZZXKLOSA-N 0 0 177.634 2.967 10 30 AFEERN N#C[C@H]1C[C@H]1c1ccc(Cl)cc1 41200222 169113287 /nfs/dbraw/zinc/11/32/87/169113287.db2.gz KGMNEQVUSYEJHX-SCZZXKLOSA-N 0 0 177.634 2.967 10 30 AFEERN N#Cc1[nH]ccc1-c1ccccc1 206122438 169113341 /nfs/dbraw/zinc/11/33/41/169113341.db2.gz WDLXWLKMEORZHI-UHFFFAOYSA-N 0 0 168.199 2.553 10 30 AFEERN N#C[C@H]1C[C@@H]1c1ccccc1Cl 41200202 169113743 /nfs/dbraw/zinc/11/37/43/169113743.db2.gz IQDFJPIPFUQMLO-APPZFPTMSA-N 0 0 177.634 2.967 10 30 AFEERN N#Cc1c(Cl)[nH]c2c(F)cccc12 71465910 169114036 /nfs/dbraw/zinc/11/40/36/169114036.db2.gz VBOAJUXHTWCGGZ-UHFFFAOYSA-N 0 0 194.596 2.832 10 30 AFEERN N#Cc1c(C2CCCC2)csc1N 54077476 169114131 /nfs/dbraw/zinc/11/41/31/169114131.db2.gz VDIFSBSOHSHIBH-UHFFFAOYSA-N 0 0 192.287 2.860 10 30 AFEERN N#Cc1c(C2CC2)[nH]c2ccccc12 11950523 169114231 /nfs/dbraw/zinc/11/42/31/169114231.db2.gz HDZHPLTVPUFFJB-UHFFFAOYSA-N 0 0 182.226 2.917 10 30 AFEERN N#Cc1c(Cl)ncc2sccc12 75597303 169114267 /nfs/dbraw/zinc/11/42/67/169114267.db2.gz ZIHPJFAMSASBRT-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN N#Cc1c(Cl)cccc1OC1CC1 95734940 169114276 /nfs/dbraw/zinc/11/42/76/169114276.db2.gz ZMGLQXXWAZJENE-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN N#Cc1c(Cl)[nH]c2ccc(F)cc12 71465366 169114346 /nfs/dbraw/zinc/11/43/46/169114346.db2.gz MZYBALCQINVBDK-UHFFFAOYSA-N 0 0 194.596 2.832 10 30 AFEERN N#Cc1c(Cl)cccc1NC1CC1 48727839 169114424 /nfs/dbraw/zinc/11/44/24/169114424.db2.gz NGSZVQWOPGKFGX-UHFFFAOYSA-N 0 0 192.649 2.786 10 30 AFEERN N#Cc1c(Cl)ccc2cnccc12 82768430 169114561 /nfs/dbraw/zinc/11/45/61/169114561.db2.gz HGQQLVWVMWJXIB-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN N#Cc1c[nH]cc1-c1ccccc1F 95935402 169114719 /nfs/dbraw/zinc/11/47/19/169114719.db2.gz GXXJVCWFAZXHEE-UHFFFAOYSA-N 0 0 186.189 2.692 10 30 AFEERN N#Cc1cc(C(F)(F)F)cs1 83272602 169114744 /nfs/dbraw/zinc/11/47/44/169114744.db2.gz CIWRSDSHKLPBJC-UHFFFAOYSA-N 0 0 177.150 2.639 10 30 AFEERN N#Cc1cc(-c2cccnc2)cs1 149755 169114753 /nfs/dbraw/zinc/11/47/53/169114753.db2.gz HWVRVDKBZSXKJQ-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN N#Cc1c[nH]cc1-c1cccc(F)c1 95935424 169115023 /nfs/dbraw/zinc/11/50/23/169115023.db2.gz CXWJGVNKEPXSKL-UHFFFAOYSA-N 0 0 186.189 2.692 10 30 AFEERN N#Cc1cc(-c2ccncc2)cs1 47217424 169115041 /nfs/dbraw/zinc/11/50/41/169115041.db2.gz PXFQMTPNLAUFAN-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN N#Cc1cc(C2CCCC2)sc1N 39112260 169115074 /nfs/dbraw/zinc/11/50/74/169115074.db2.gz WZPDALKEHHNBPR-UHFFFAOYSA-N 0 0 192.287 2.860 10 30 AFEERN N#Cc1cc(C2CC2)c(N)c(C2CC2)c1 115186528 169115123 /nfs/dbraw/zinc/11/51/23/169115123.db2.gz MTQNZNFUSGGEBI-UHFFFAOYSA-N 0 0 198.269 2.895 10 30 AFEERN N#Cc1cc(-c2ccccc2)ccc1O 47207449 169115248 /nfs/dbraw/zinc/11/52/48/169115248.db2.gz VCZWXBZWLXSLOZ-UHFFFAOYSA-N 0 0 195.221 2.931 10 30 AFEERN N#Cc1c[nH]cc1-c1ccc(F)cc1 95935449 169115633 /nfs/dbraw/zinc/11/56/33/169115633.db2.gz HILPJSPEOAJERF-UHFFFAOYSA-N 0 0 186.189 2.692 10 30 AFEERN N#Cc1cc(-c2ccccc2)ccc1N 33992327 169115640 /nfs/dbraw/zinc/11/56/40/169115640.db2.gz KLVYCVRFSVGOAT-UHFFFAOYSA-N 0 0 194.237 2.807 10 30 AFEERN N#Cc1cc(-c2ccco2)ccc1O 65341266 169115779 /nfs/dbraw/zinc/11/57/79/169115779.db2.gz RWUBVFNTGFWWSO-UHFFFAOYSA-N 0 0 185.182 2.524 10 30 AFEERN N#Cc1cc(Cl)cc2cnccc12 82768431 169116425 /nfs/dbraw/zinc/11/64/25/169116425.db2.gz QGYYQKYZPPTIBQ-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN N#Cc1cc(Cl)cc2cccnc12 82768580 169116570 /nfs/dbraw/zinc/11/65/70/169116570.db2.gz HQOVZDUXBCDYHI-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN N#Cc1cc(Cl)cc2[nH]ccc12 89204526 169116602 /nfs/dbraw/zinc/11/66/02/169116602.db2.gz DBKFZHZEWZMVEI-UHFFFAOYSA-N 0 0 176.606 2.693 10 30 AFEERN N#Cc1cc(Cl)ccc1OC1CC1 95735064 169116716 /nfs/dbraw/zinc/11/67/16/169116716.db2.gz XCWVQBCMZFBOLX-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN N#Cc1cc(Cl)ccc1NCCF 306224580 169117017 /nfs/dbraw/zinc/11/70/17/169117017.db2.gz DSTVVEYRFZVOJH-UHFFFAOYSA-N 0 0 198.628 2.593 10 30 AFEERN N#Cc1cc(Cl)cc(OC2CC2)c1 95735063 169117187 /nfs/dbraw/zinc/11/71/87/169117187.db2.gz LLPKPUHIYJQURU-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN N#Cc1cc(Cl)c2ccsc2n1 39318170 169117579 /nfs/dbraw/zinc/11/75/79/169117579.db2.gz HYFRYRWNZATKML-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN N#Cc1cc2c(Cl)nccc2s1 75597304 169117937 /nfs/dbraw/zinc/11/79/37/169117937.db2.gz KKEHMNNFDFXEFY-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN N#Cc1cc2cc(Cl)ccc2o1 20390027 169118388 /nfs/dbraw/zinc/11/83/88/169118388.db2.gz JPYIXNBDLRPRHA-UHFFFAOYSA-N 0 0 177.590 2.958 10 30 AFEERN N#Cc1cc2cc(F)cc(F)c2o1 52068814 169118423 /nfs/dbraw/zinc/11/84/23/169118423.db2.gz ZSTCNQGDTVHJPS-UHFFFAOYSA-N 0 0 179.125 2.583 10 30 AFEERN N#Cc1cc(NC2CCC2)ccc1F 51636269 169118471 /nfs/dbraw/zinc/11/84/71/169118471.db2.gz RGKNMWIFUJIROD-UHFFFAOYSA-N 0 0 190.221 2.662 10 30 AFEERN N#Cc1cc2sccc2nc1Cl 34091799 169118920 /nfs/dbraw/zinc/11/89/20/169118920.db2.gz RQPFBMAYZZXMRY-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN N#Cc1ccc(C2=CC(=O)CCC2)cc1 34484752 169119363 /nfs/dbraw/zinc/11/93/63/169119363.db2.gz WOUZSJJBQYTGEB-UHFFFAOYSA-N 0 0 197.237 2.695 10 30 AFEERN N#Cc1ccc(-c2ccco2)cc1O 65341267 169119500 /nfs/dbraw/zinc/11/95/00/169119500.db2.gz BCGIBESOYLBOQQ-UHFFFAOYSA-N 0 0 185.182 2.524 10 30 AFEERN N#Cc1ccc(C2CCCC2)nc1 82400013 169119730 /nfs/dbraw/zinc/11/97/30/169119730.db2.gz IWXPVAFJMIDWKF-UHFFFAOYSA-N 0 0 172.231 2.611 10 30 AFEERN N#Cc1ccc(-c2ccc[nH]2)cc1 75556265 169119831 /nfs/dbraw/zinc/11/98/31/169119831.db2.gz SYSSDYLXBRLBJK-UHFFFAOYSA-N 0 0 168.199 2.553 10 30 AFEERN N#Cc1ccc(CC(F)(F)F)cc1 83276191 169120001 /nfs/dbraw/zinc/12/00/01/169120001.db2.gz XSAZEIMNUJYLOM-UHFFFAOYSA-N 0 0 185.148 2.663 10 30 AFEERN N#Cc1ccc(-c2ccccc2)o1 49804942 169120152 /nfs/dbraw/zinc/12/01/52/169120152.db2.gz LEPUGNMSTZGEAG-UHFFFAOYSA-N 0 0 169.183 2.818 10 30 AFEERN N#Cc1ccc(-c2cccc(F)c2)o1 49806151 169120443 /nfs/dbraw/zinc/12/04/43/169120443.db2.gz GEEDUFXJLZOJKM-UHFFFAOYSA-N 0 0 187.173 2.957 10 30 AFEERN N#Cc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 42350076 169121361 /nfs/dbraw/zinc/12/13/61/169121361.db2.gz WBCNZXFYHZTLRP-WCQYABFASA-N 0 0 198.269 2.547 10 30 AFEERN N#Cc1ccc(Cl)c2[nH]ccc12 44184818 169121551 /nfs/dbraw/zinc/12/15/51/169121551.db2.gz UUUAYDLVGICAST-UHFFFAOYSA-N 0 0 176.606 2.693 10 30 in-vitro AFEERN N#Cc1ccc(Cc2ccccc2)o1 40539032 169121988 /nfs/dbraw/zinc/12/19/88/169121988.db2.gz LEFAELLHHQKVKP-UHFFFAOYSA-N 0 0 183.210 2.742 10 30 AFEERN N#Cc1ccc(NC2CC2)c(Cl)c1 62790685 169122025 /nfs/dbraw/zinc/12/20/25/169122025.db2.gz FXFGRNYGLPIYMH-UHFFFAOYSA-N 0 0 192.649 2.786 10 30 AFEERN N#Cc1ccc(F)cc1C(F)F 72188011 169122213 /nfs/dbraw/zinc/12/22/13/169122213.db2.gz QAOHEQPFDASMOT-UHFFFAOYSA-N 0 0 171.121 2.635 10 30 AFEERN N#Cc1ccc(Cl)c(OC2CC2)c1 95736166 169122260 /nfs/dbraw/zinc/12/22/60/169122260.db2.gz PHAUIIYCBKFDFK-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN N#Cc1ccc(Cl)cc1OC1CC1 95736168 169122324 /nfs/dbraw/zinc/12/23/24/169122324.db2.gz DMMQQRIMAGGHGO-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN N#Cc1ccc(NC2CC2)cc1Cl 61845673 169122357 /nfs/dbraw/zinc/12/23/57/169122357.db2.gz YNVCZOQEDNIAKY-UHFFFAOYSA-N 0 0 192.649 2.786 10 30 AFEERN N#Cc1ccc(Nc2cccnc2)cc1 19867451 169122955 /nfs/dbraw/zinc/12/29/55/169122955.db2.gz AIXHTVYIYWINSX-UHFFFAOYSA-N 0 0 195.225 2.697 10 30 AFEERN N#Cc1ccc2c(Cl)c[nH]c2c1 75566988 169123337 /nfs/dbraw/zinc/12/33/37/169123337.db2.gz OVAMPWQDEIRJQR-UHFFFAOYSA-N 0 0 176.606 2.693 10 30 AFEERN N#Cc1ccc2c(c1)CCCS2 83272401 169123340 /nfs/dbraw/zinc/12/33/40/169123340.db2.gz CMBHFKFTSFTYBB-UHFFFAOYSA-N 0 0 175.256 2.597 10 30 AFEERN N#Cc1cccc(N[C@@H]2C=CCC2)c1 75576619 169123832 /nfs/dbraw/zinc/12/38/32/169123832.db2.gz IQVNEUKSNZPIPG-LLVKDONJSA-N 0 0 184.242 2.689 10 30 AFEERN N#Cc1cccc(Cc2cccnc2)c1 95929964 169123858 /nfs/dbraw/zinc/12/38/58/169123858.db2.gz QTUDDDDIILYQJI-UHFFFAOYSA-N 0 0 194.237 2.544 10 30 AFEERN N#Cc1cccc(C2=CCC(=O)CC2)c1 21988557 169123914 /nfs/dbraw/zinc/12/39/14/169123914.db2.gz FREHTPKNPMUSMK-UHFFFAOYSA-N 0 0 197.237 2.695 10 30 AFEERN N#Cc1cccc(CC(F)(F)F)c1 83276192 169124179 /nfs/dbraw/zinc/12/41/79/169124179.db2.gz XZPHPNWCYCJPQF-UHFFFAOYSA-N 0 0 185.148 2.663 10 30 AFEERN N#Cc1cccc(OC2CC2)c1Cl 95736246 169124195 /nfs/dbraw/zinc/12/41/95/169124195.db2.gz YMTZGSDGUJTEIW-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN N#Cc1cccc(C2CCC(=O)CC2)c1 21988555 169124218 /nfs/dbraw/zinc/12/42/18/169124218.db2.gz URIDONFNWGXDHR-UHFFFAOYSA-N 0 0 199.253 2.785 10 30 AFEERN N#Cc1cccc(N)c1[C@@H]1C=CCC1 75576604 169124371 /nfs/dbraw/zinc/12/43/71/169124371.db2.gz OYZBIOFXWQZURQ-SECBINFHSA-N 0 0 184.242 2.574 10 30 AFEERN N#Cc1cccc(N[C@H]2C=CCC2)c1 75576618 169124431 /nfs/dbraw/zinc/12/44/31/169124431.db2.gz IQVNEUKSNZPIPG-NSHDSACASA-N 0 0 184.242 2.689 10 30 AFEERN N#Cc1cccc(Cl)c1NCCF 307205194 169124897 /nfs/dbraw/zinc/12/48/97/169124897.db2.gz GJWINHAYDGASHM-UHFFFAOYSA-N 0 0 198.628 2.593 10 30 AFEERN N#Cc1cccc(Cl)c1OC1CC1 95736254 169124909 /nfs/dbraw/zinc/12/49/09/169124909.db2.gz FLLAJTCQPUTGQG-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN N#Cc1cccc(N)c1[C@H]1C=CCC1 75576603 169124929 /nfs/dbraw/zinc/12/49/29/169124929.db2.gz OYZBIOFXWQZURQ-VIFPVBQESA-N 0 0 184.242 2.574 10 30 AFEERN N#Cc1ccccc1-c1cccc(N)c1 1257934 169125294 /nfs/dbraw/zinc/12/52/94/169125294.db2.gz GGJLSLOHVMYBDP-UHFFFAOYSA-N 0 0 194.237 2.807 10 30 AFEERN N#Cc1cccc2c(C#N)cccc12 62718892 169125525 /nfs/dbraw/zinc/12/55/25/169125525.db2.gz WNDSQRGJJHSKCQ-UHFFFAOYSA-N 0 0 178.194 2.583 10 30 AFEERN N#Cc1ccccc1-c1ccc(N)cc1 1259434 169125565 /nfs/dbraw/zinc/12/55/65/169125565.db2.gz IKAWYCDFPYMOQO-UHFFFAOYSA-N 0 0 194.237 2.807 10 30 AFEERN N#Cc1cccc2scc(C=O)c12 82391815 169125938 /nfs/dbraw/zinc/12/59/38/169125938.db2.gz CHVPOSJWFURVDT-UHFFFAOYSA-N 0 0 187.223 2.585 10 30 AFEERN N#Cc1cccc2c1SCCC2 83272405 169125986 /nfs/dbraw/zinc/12/59/86/169125986.db2.gz LLMUXHOCPQIVEQ-UHFFFAOYSA-N 0 0 175.256 2.597 10 30 AFEERN N#Cc1ccccc1-c1cccc(O)c1 26544081 169126038 /nfs/dbraw/zinc/12/60/38/169126038.db2.gz YZCNLVQPXKPVCA-UHFFFAOYSA-N 0 0 195.221 2.931 10 30 AFEERN N#Cc1ccnc(Cc2ccccc2)c1 75596679 169126757 /nfs/dbraw/zinc/12/67/57/169126757.db2.gz OTPDUIOYSUDVSP-UHFFFAOYSA-N 0 0 194.237 2.544 10 30 AFEERN N#Cc1ccn2ccc3ccccc3c12 5777437 169127244 /nfs/dbraw/zinc/12/72/44/169127244.db2.gz BQGLKVZVXNQHLN-UHFFFAOYSA-N 0 0 192.221 2.964 10 30 AFEERN N#Cc1ccnc2c(Cl)cccc12 39140260 169127282 /nfs/dbraw/zinc/12/72/82/169127282.db2.gz LJPHCJWAQRWRRM-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN N#Cc1ccn(CCc2ccccc2)c1 335939915 169127573 /nfs/dbraw/zinc/12/75/73/169127573.db2.gz PBMUPAANOCMPDE-UHFFFAOYSA-N 0 0 196.253 2.602 10 30 AFEERN N#Cc1cnc2c(Cl)cccc2c1 83277200 169128268 /nfs/dbraw/zinc/12/82/68/169128268.db2.gz IUOVEUSXDQIODV-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN N#Cc1cnc(-c2cccs2)s1 82417723 169128282 /nfs/dbraw/zinc/12/82/82/169128282.db2.gz MIOIVTXGUSNUFR-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN N#Cc1ccoc1-c1ccccc1 75557559 169129381 /nfs/dbraw/zinc/12/93/81/169129381.db2.gz BTZROEBVEQFZLE-UHFFFAOYSA-N 0 0 169.183 2.818 10 30 AFEERN N#Cc1csc(-c2ccccc2)n1 19723129 169130167 /nfs/dbraw/zinc/13/01/67/169130167.db2.gz OXZHUPRJCIVOJJ-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN N#Cc1coc2ccc(Cl)cc12 83272754 169130196 /nfs/dbraw/zinc/13/01/96/169130196.db2.gz CUEUZBQFBQWQJZ-UHFFFAOYSA-N 0 0 177.590 2.958 10 30 AFEERN N#Cc1cncc2cccc(Cl)c12 82806780 169130318 /nfs/dbraw/zinc/13/03/18/169130318.db2.gz DVAUCQUHZABNCW-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN Nc1ccc2cccc3c2c1C=CC3=O 75597801 169294970 /nfs/dbraw/zinc/29/49/70/169294970.db2.gz KCSDZWLMFMMHRE-UHFFFAOYSA-N 0 0 195.221 2.632 10 30 AFEERN O/N=C1/CCCc2ccc(Cl)cc21 102761317 169313792 /nfs/dbraw/zinc/31/37/92/169313792.db2.gz KNWZLQDFUWEVLX-BENRWUELSA-N 0 0 195.649 2.855 10 30 AFEERN O/N=C/C=C/c1ccc(Cl)cc1 102231949 169314024 /nfs/dbraw/zinc/31/40/24/169314024.db2.gz KBWYAIBGBKNUCN-IOHLXRPMSA-N 0 0 181.622 2.813 10 30 AFEERN O/N=C/c1cccn1C1CCCCC1 23549816 169314035 /nfs/dbraw/zinc/31/40/35/169314035.db2.gz KRTBJOFUIXSBCE-FMIVXFBMSA-N 0 0 192.262 2.801 10 30 AFEERN O/N=C1/CC2C[C@H]3CC1C[C@@H](C2)C3 196346854 169314091 /nfs/dbraw/zinc/31/40/91/169314091.db2.gz ZHDRQJWVVAYIQP-RBDRCDSNSA-N 0 0 179.263 2.663 10 30 AFEERN O/N=C/C=C(\Cl)c1ccccc1 91351488 169314193 /nfs/dbraw/zinc/31/41/93/169314193.db2.gz RWDKOOMKPUESNZ-STGKXFFCSA-N 0 0 181.622 2.726 10 30 AFEERN O/N=C1/CCC/C1=C\c1ccco1 96901199 169314480 /nfs/dbraw/zinc/31/44/80/169314480.db2.gz UGOKDRQCTOLNPS-LFOHPMNASA-N 0 0 177.203 2.677 10 30 AFEERN O/N=C1\c2ccccc2C=C[C@@H]2C[C@@H]12 222398096 169314985 /nfs/dbraw/zinc/31/49/85/169314985.db2.gz JUSPGVQXHBEXFV-YKYPZQJLSA-N 0 0 185.226 2.528 10 30 AFEERN O/N=C1\CCC\C1=C/c1ccco1 18069391 169315193 /nfs/dbraw/zinc/31/51/93/169315193.db2.gz UGOKDRQCTOLNPS-ZDVGBALWSA-N 0 0 177.203 2.677 10 30 AFEERN O/N=C\c1c[nH]c2ccc(Cl)cc12 100468512 169315277 /nfs/dbraw/zinc/31/52/77/169315277.db2.gz JRECRRMZQAVUEI-XGICHPGQSA-N 0 0 194.621 2.629 10 30 AFEERN O/N=C\c1ccc2ccccc2c1 100409541 169315398 /nfs/dbraw/zinc/31/53/98/169315398.db2.gz VJSUSMMBIMGSHW-WQLSENKSSA-N 0 0 171.199 2.648 10 30 AFEERN O/N=C\c1c[nH]c2cccc(Cl)c12 100468519 169315402 /nfs/dbraw/zinc/31/54/02/169315402.db2.gz QPIWYUBEKZHDOF-XGICHPGQSA-N 0 0 194.621 2.629 10 30 AFEERN O/N=C\c1c[nH]c2c(Cl)cccc12 100468501 169315531 /nfs/dbraw/zinc/31/55/31/169315531.db2.gz ZNWJZLYDASQYSZ-XGICHPGQSA-N 0 0 194.621 2.629 10 30 AFEERN O/N=C1\c2ccccc2C=C[C@H]2C[C@@H]12 222398155 169315638 /nfs/dbraw/zinc/31/56/38/169315638.db2.gz JUSPGVQXHBEXFV-DMVMMPRMSA-N 0 0 185.226 2.528 10 30 AFEERN O=C(C1=CCCC1)C1=CCCC1 1724942 169315832 /nfs/dbraw/zinc/31/58/32/169315832.db2.gz JTHVVAXWTIDCJL-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN O=C(C1=CCCCC1)c1ccoc1 50324990 169315862 /nfs/dbraw/zinc/31/58/62/169315862.db2.gz WWTGWBVODHGRAR-UHFFFAOYSA-N 0 0 176.215 2.963 10 30 AFEERN O=C(C1=CCCCC1)C(F)(F)F 39054892 169316014 /nfs/dbraw/zinc/31/60/14/169316014.db2.gz JRKHARIWNJGVKH-UHFFFAOYSA-N 0 0 178.153 2.618 10 30 AFEERN O=C(C1=CCCCC1)c1ccco1 50324982 169316016 /nfs/dbraw/zinc/31/60/16/169316016.db2.gz HGXUUNFQVYJOTM-UHFFFAOYSA-N 0 0 176.215 2.963 10 30 AFEERN O=C(C#Cc1ccccc1)c1ccco1 3206987 169316176 /nfs/dbraw/zinc/31/61/76/169316176.db2.gz IHWHDROIZZMWLA-UHFFFAOYSA-N 0 0 196.205 2.514 10 30 AFEERN O=C(C1=CCCC1)c1ccoc1 50325256 169316224 /nfs/dbraw/zinc/31/62/24/169316224.db2.gz VWHZTEBACYTTOL-UHFFFAOYSA-N 0 0 162.188 2.573 10 30 AFEERN O=C(C1=CCCCC1)C1CCC1 50324829 169316226 /nfs/dbraw/zinc/31/62/26/169316226.db2.gz CSXPYUWBEZDUDX-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN O=C(C1=CCCCC1)C1=CCCCO1 35272439 169316423 /nfs/dbraw/zinc/31/64/23/169316423.db2.gz XILZBHUQJJMRKV-UHFFFAOYSA-N 0 0 192.258 2.750 10 30 AFEERN O=C(C1=CCCC1)c1ccco1 50325248 169316636 /nfs/dbraw/zinc/31/66/36/169316636.db2.gz JVAXBPJONDVXSL-UHFFFAOYSA-N 0 0 162.188 2.573 10 30 AFEERN O=C(CC(F)(F)F)C1=CCCC1 50325124 169317160 /nfs/dbraw/zinc/31/71/60/169317160.db2.gz XRSBWNCEKZSCRR-UHFFFAOYSA-N 0 0 178.153 2.618 10 30 AFEERN O=C(CC1CC1)C1=CCCCC1 50325026 169317354 /nfs/dbraw/zinc/31/73/54/169317354.db2.gz TXIOSARWACZNPR-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN O=C(CS)c1ccc(Cl)s1 57488713 169321288 /nfs/dbraw/zinc/32/12/88/169321288.db2.gz AZSVPKRPMRDXCZ-UHFFFAOYSA-N 0 0 192.692 2.514 10 30 AFEERN O=C(Cc1ccccc1)C1=CCCC1 39369475 169322674 /nfs/dbraw/zinc/32/26/74/169322674.db2.gz BTCVNCHWCOLDIR-UHFFFAOYSA-N 0 0 186.254 2.909 10 30 AFEERN O=C1Cc2cccc3cccc(c23)C1=O 14650649 169365962 /nfs/dbraw/zinc/36/59/62/169365962.db2.gz NCBYJFISWDYMDW-UHFFFAOYSA-N 0 0 196.205 2.935 10 30 AFEERN O=C1/C=C/CCCCCCC1 45072126 169366001 /nfs/dbraw/zinc/36/60/01/169366001.db2.gz ZJVWSGLEWZZJFQ-SOFGYWHQSA-N 0 0 152.237 2.856 10 30 AFEERN O=C1C=CC=CC12CCCCC2 62715990 169366397 /nfs/dbraw/zinc/36/63/97/169366397.db2.gz RGTVLNTYTGJJML-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN O=C1C=CC2(C=C1)CCCCC2 1866036 169366876 /nfs/dbraw/zinc/36/68/76/169366876.db2.gz ITQGACLVIMXTHZ-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN O=C1C=CC(=CNc2ccccc2)C=C1 137383029 169366934 /nfs/dbraw/zinc/36/69/34/169366934.db2.gz VCZFRGSYWKUOPL-UHFFFAOYSA-N 0 0 197.237 2.678 10 30 AFEERN O=C1C=C(c2cccs2)CCC1 40981053 169367098 /nfs/dbraw/zinc/36/70/98/169367098.db2.gz JNUCBVZCHLXXBX-UHFFFAOYSA-N 0 0 178.256 2.885 10 30 AFEERN O=C1C=C(c2ccsc2)CCC1 34540659 169367191 /nfs/dbraw/zinc/36/71/91/169367191.db2.gz YSFAOICUZDWWSM-UHFFFAOYSA-N 0 0 178.256 2.885 10 30 AFEERN O=C1C=C[C@H](c2ccccc2Cl)C1 28638814 169367369 /nfs/dbraw/zinc/36/73/69/169367369.db2.gz GPZFZBSIEHXEKH-QMMMGPOBSA-N 0 0 192.645 2.953 10 30 AFEERN O=C1C=C[C@@H](c2ccccc2Cl)C1 28638817 169367389 /nfs/dbraw/zinc/36/73/89/169367389.db2.gz GPZFZBSIEHXEKH-MRVPVSSYSA-N 0 0 192.645 2.953 10 30 AFEERN O=C1CCC/C1=C\c1ccc(O)cc1 28115516 169369305 /nfs/dbraw/zinc/36/93/05/169369305.db2.gz SBHXDCZQSURIGB-CSKARUKUSA-N 0 0 188.226 2.529 10 30 AFEERN O=C1CCC1=C1CCCCC1 39059220 169369325 /nfs/dbraw/zinc/36/93/25/169369325.db2.gz KWVAJDKMGMODTR-UHFFFAOYSA-N 0 0 150.221 2.610 10 30 AFEERN O=C1CCC2=C1CCCCC2 111389250 169369475 /nfs/dbraw/zinc/36/94/75/169369475.db2.gz YOKZDALFYWMEHH-UHFFFAOYSA-N 0 0 150.221 2.610 10 30 AFEERN Oc1ccccc1Cc1ccccc1 100105067 169369882 /nfs/dbraw/zinc/36/98/82/169369882.db2.gz IEHCJBKTYNCMJR-UHFFFAOYSA-N 0 0 184.238 2.685 10 30 AFEERN O=C1CCC/C1=C\c1ccccc1O 12341807 169369946 /nfs/dbraw/zinc/36/99/46/169369946.db2.gz OHQPXNHCMPWZKE-CSKARUKUSA-N 0 0 188.226 2.529 10 30 AFEERN O=C1CCCC(c2ccccc2)C1=O 22003533 169370385 /nfs/dbraw/zinc/37/03/85/169370385.db2.gz CKNQLXNNAGGKSP-UHFFFAOYSA-N 0 0 188.226 2.709 10 30 AFEERN O=C1CCCC/C1=C\c1ccccn1 8048309 169370676 /nfs/dbraw/zinc/37/06/76/169370676.db2.gz RAVPRVOPSVHQOA-MDZDMXLPSA-N 0 0 187.242 2.608 10 30 AFEERN O=C1CCCC/C1=C\c1cccnc1 83965957 169370733 /nfs/dbraw/zinc/37/07/33/169370733.db2.gz JVWHOBWNVLEBKQ-DHZHZOJOSA-N 0 0 187.242 2.608 10 30 AFEERN O=C1CCCC/C1=C\c1ccncc1 8048308 169371128 /nfs/dbraw/zinc/37/11/28/169371128.db2.gz LQMXCJNLKOOKFN-PKNBQFBNSA-N 0 0 187.242 2.608 10 30 AFEERN O=C1CCC[C@@H]1CC#Cc1ccccc1 51814638 169371251 /nfs/dbraw/zinc/37/12/51/169371251.db2.gz AFHADLMCGVFZKC-ZDUSSCGKSA-N 0 0 198.265 2.797 10 30 AFEERN O=C1CCC[C@H]1CC#Cc1ccccc1 51814637 169372871 /nfs/dbraw/zinc/37/28/71/169372871.db2.gz AFHADLMCGVFZKC-CYBMUJFWSA-N 0 0 198.265 2.797 10 30 AFEERN O=CC#Cc1cccc(Cl)c1Cl 75420873 169394819 /nfs/dbraw/zinc/39/48/19/169394819.db2.gz VWEUJJJOSVMCCN-UHFFFAOYSA-N 0 0 199.036 2.544 10 30 AFEERN O=CC#Cc1ccc(Cl)cc1Cl 75420863 169394865 /nfs/dbraw/zinc/39/48/65/169394865.db2.gz XYVQEBYFQVFZDO-UHFFFAOYSA-N 0 0 199.036 2.544 10 30 AFEERN O=CC#Cc1ccc(Cl)c(Cl)c1 75420867 169394944 /nfs/dbraw/zinc/39/49/44/169394944.db2.gz NOISOSBHCJFYHV-UHFFFAOYSA-N 0 0 199.036 2.544 10 30 AFEERN O=CC1(c2ccc(F)cc2)CCCC1 57488531 169395455 /nfs/dbraw/zinc/39/54/55/169395455.db2.gz MVTTVOHBUMWTHL-UHFFFAOYSA-N 0 0 192.233 2.836 10 30 AFEERN O=CC1(c2ccccc2F)CCCC1 57488525 169395643 /nfs/dbraw/zinc/39/56/43/169395643.db2.gz DPSWDGFVCJOVCV-UHFFFAOYSA-N 0 0 192.233 2.836 10 30 AFEERN O=CC1(c2c(F)cccc2Cl)CC1 57490491 169395718 /nfs/dbraw/zinc/39/57/18/169395718.db2.gz JQXZADQZPXKDFO-UHFFFAOYSA-N 0 0 198.624 2.710 10 30 AFEERN O=CC1CCCCCCCC1 28219466 169396223 /nfs/dbraw/zinc/39/62/23/169396223.db2.gz MFLOBVLWSDCWSS-UHFFFAOYSA-N 0 0 154.253 2.936 10 30 AFEERN O=CC12CCCC(CCC1)C2 34227307 169396225 /nfs/dbraw/zinc/39/62/25/169396225.db2.gz SUXMUCSZAJLBDC-UHFFFAOYSA-N 0 0 152.237 2.546 10 30 AFEERN O=CCCCc1ccc(Cl)s1 70739038 169396314 /nfs/dbraw/zinc/39/63/14/169396314.db2.gz MREYGIKHWBGDTK-UHFFFAOYSA-N 0 0 188.679 2.923 10 30 AFEERN O=CCC/C=C/c1ccccc1 38251085 169396323 /nfs/dbraw/zinc/39/63/23/169396323.db2.gz BHUURXZEJNOOBQ-WEVVVXLNSA-N 0 0 160.216 2.679 10 30 AFEERN O=CCCSc1ccc(F)cc1 19686139 169396414 /nfs/dbraw/zinc/39/64/14/169396414.db2.gz FERZLRRBIZLLMC-UHFFFAOYSA-N 0 0 184.235 2.507 10 30 AFEERN O=CCCCCCc1ccccc1 39378849 169396477 /nfs/dbraw/zinc/39/64/77/169396477.db2.gz WDKODCDQZXMWJD-UHFFFAOYSA-N 0 0 176.259 2.988 10 30 in-vitro AFEERN O=CCCCc1ccc2c(c1)CCC2 70738894 169396490 /nfs/dbraw/zinc/39/64/90/169396490.db2.gz CKGWMEULVYSIDM-UHFFFAOYSA-N 0 0 188.270 2.697 10 30 AFEERN O=CCCc1ccc2ccccc2c1 34380833 169396580 /nfs/dbraw/zinc/39/65/80/169396580.db2.gz JLJHTAFOYPSITN-UHFFFAOYSA-N 0 0 184.238 2.971 10 30 AFEERN O=CCCCC1CCCCC1 43502223 169396760 /nfs/dbraw/zinc/39/67/60/169396760.db2.gz JTENOSOCIALYPN-UHFFFAOYSA-N 0 0 154.253 2.936 10 30 AFEERN O=CCCC(=O)c1cccc(Cl)c1 75599572 169396911 /nfs/dbraw/zinc/39/69/11/169396911.db2.gz MVSTVNUVGCNBPR-UHFFFAOYSA-N 0 0 196.633 2.502 10 30 AFEERN O=CCCCCc1cccs1 70738944 169396914 /nfs/dbraw/zinc/39/69/14/169396914.db2.gz PTMDRKRGAQLFTO-UHFFFAOYSA-N 0 0 168.261 2.660 10 30 AFEERN O=CCCC1CCCCCC1 43502185 169396929 /nfs/dbraw/zinc/39/69/29/169396929.db2.gz WWCNCLRXDKGPOS-UHFFFAOYSA-N 0 0 154.253 2.936 10 30 AFEERN O=CCCCC1=CCCCC1 75539755 169397053 /nfs/dbraw/zinc/39/70/53/169397053.db2.gz JBBYTHPLCPTXLY-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN O=CC[C@@H]1CC[C@@H]2CCCC=C12 75546295 169397321 /nfs/dbraw/zinc/39/73/21/169397321.db2.gz WNDDPOSZCUQGQZ-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN O=CCc1ccc2ccccc2c1 2581187 169397325 /nfs/dbraw/zinc/39/73/25/169397325.db2.gz ZONWDLKOOMKAKI-UHFFFAOYSA-N 0 0 170.211 2.581 10 30 AFEERN O=CCSc1ccc(Cl)s1 19686109 169397349 /nfs/dbraw/zinc/39/73/49/169397349.db2.gz IGVWTZMVGAPWIH-UHFFFAOYSA-N 0 0 192.692 2.693 10 30 AFEERN O=CC[C@@H]1CC[C@H]2CCCC=C12 75546296 169397398 /nfs/dbraw/zinc/39/73/98/169397398.db2.gz WNDDPOSZCUQGQZ-ZJUUUORDSA-N 0 0 164.248 2.712 10 30 AFEERN O=CC[C@H]1CC[C@H]2CCCC=C12 75546293 169397423 /nfs/dbraw/zinc/39/74/23/169397423.db2.gz WNDDPOSZCUQGQZ-NXEZZACHSA-N 0 0 164.248 2.712 10 30 AFEERN O=CC[C@H]1CC[C@@H]2CCCC=C21 75546291 169397568 /nfs/dbraw/zinc/39/75/68/169397568.db2.gz WNDDPOSZCUQGQZ-VHSXEESVSA-N 0 0 164.248 2.712 10 30 AFEERN O=CCc1cccc2sccc12 89195293 169397598 /nfs/dbraw/zinc/39/75/98/169397598.db2.gz IVXBSWKWQNONLI-UHFFFAOYSA-N 0 0 176.240 2.643 10 30 AFEERN O=CCSc1cccc(Cl)c1 19686133 169397644 /nfs/dbraw/zinc/39/76/44/169397644.db2.gz FOYFJEJDXQACIP-UHFFFAOYSA-N 0 0 186.663 2.631 10 30 AFEERN O=CCc1csc2ccccc12 38258487 169397847 /nfs/dbraw/zinc/39/78/47/169397847.db2.gz LUDQCEIWUFTESP-UHFFFAOYSA-N 0 0 176.240 2.643 10 30 AFEERN O=CCc1cccc2ccccc12 39248410 169397900 /nfs/dbraw/zinc/39/79/00/169397900.db2.gz CCHAJZURXPPHJU-UHFFFAOYSA-N 0 0 170.211 2.581 10 30 AFEERN O=CCc1cc(Cl)ccc1Cl 2581077 169397959 /nfs/dbraw/zinc/39/79/59/169397959.db2.gz VQLVKLHHPJTTAW-UHFFFAOYSA-N 0 0 189.041 2.735 10 30 AFEERN O=CCc1ccc2sccc2c1 89195359 169398002 /nfs/dbraw/zinc/39/80/02/169398002.db2.gz MGYBKIKMWSTNSC-UHFFFAOYSA-N 0 0 176.240 2.643 10 30 AFEERN O=C[C@@H](c1ccc(F)cc1)C1CC1 41200288 169399495 /nfs/dbraw/zinc/39/94/95/169399495.db2.gz DRLZWUHZJVRZHW-LLVKDONJSA-N 0 0 178.206 2.518 10 30 AFEERN O=C[C@@H]1CCC2=C(CCCC2)C1 75546300 169399979 /nfs/dbraw/zinc/39/99/79/169399979.db2.gz UXXRVZJYRJNAQR-SECBINFHSA-N 0 0 164.248 2.856 10 30 AFEERN O=C[C@H]1CC[C@@H]2CCCC[C@@H]2C1 34568589 169401285 /nfs/dbraw/zinc/40/12/85/169401285.db2.gz UHTMZKTTWVWRNL-GARJFASQSA-N 0 0 166.264 2.792 10 30 AFEERN O=C[C@H]1CCC2=C(CCCC2)C1 75546298 169401506 /nfs/dbraw/zinc/40/15/06/169401506.db2.gz UXXRVZJYRJNAQR-VIFPVBQESA-N 0 0 164.248 2.856 10 30 AFEERN ON=C1CCC[C@H]2CCCC[C@H]12 254396880 169441890 /nfs/dbraw/zinc/44/18/90/169441890.db2.gz GRJRDRAWBRAMAO-BDAKNGLRSA-N 0 0 167.252 2.807 10 30 AFEERN Oc1ccccc1N=Cc1cccnc1 254606796 169459454 /nfs/dbraw/zinc/45/94/54/169459454.db2.gz PGNIDFJAISFYHG-UHFFFAOYSA-N 0 0 198.225 2.538 10 30 AFEERN C=C(C)C#CC(=C)C(=C)C 137034480 343983313 /nfs/dbraw/zinc/98/33/13/343983313.db2.gz KKUJPZUVPOUPNW-UHFFFAOYSA-N 0 0 132.206 2.698 10 30 AFEERN SCc1ccc2ccccc2n1 14684887 169463386 /nfs/dbraw/zinc/46/33/86/169463386.db2.gz XXVLCYRUWQRBLP-UHFFFAOYSA-N 0 0 175.256 2.665 10 30 in-vitro AFEERN [N-]=[N+]=Nc1ccc2c[nH]nc2c1 89197294 169469190 /nfs/dbraw/zinc/46/91/90/169469190.db2.gz CXCLSRHPGZIRJB-UHFFFAOYSA-N 0 0 159.152 2.505 10 30 AFEERN [N-]=[N+]=Nc1cc2nccnc2cc1F 90366858 169469203 /nfs/dbraw/zinc/46/92/03/169469203.db2.gz ZIDNWXUOIUPQDS-UHFFFAOYSA-N 0 0 189.153 2.711 10 30 AFEERN [N-]=[N+]=Nc1ccncc1Br 15767188 169469419 /nfs/dbraw/zinc/46/94/19/169469419.db2.gz XHMXTCDJVYJXMV-UHFFFAOYSA-N 0 0 199.011 2.786 10 30 AFEERN c1cc2cc([C@@H]3CO3)ccc2o1 39136363 169473081 /nfs/dbraw/zinc/47/30/81/169473081.db2.gz RYINWKNRZGZPRE-JTQLQIEISA-N 0 0 160.172 2.504 10 30 AFEERN c1ccc2c(C[C@H]3CO3)cccc2c1 6118669 169477571 /nfs/dbraw/zinc/47/75/71/169477571.db2.gz SLWOPZBLNKPZCQ-LBPRGKRZSA-N 0 0 184.238 2.781 10 30 AFEERN c1ccc2c(C[C@@H]3CO3)cccc2c1 6118661 169477810 /nfs/dbraw/zinc/47/78/10/169477810.db2.gz SLWOPZBLNKPZCQ-GFCCVEGCSA-N 0 0 184.238 2.781 10 30 AFEERN CC(C)(C)/C=N/[S@@](=O)C(C)(C)C 136993385 343983384 /nfs/dbraw/zinc/98/33/84/343983384.db2.gz KSDPTRLKNUQIOO-OFFHKIPUSA-N 0 0 189.324 2.566 10 30 AFEERN C=CC(=O)c1cccc2ncccc12 137154236 343983809 /nfs/dbraw/zinc/98/38/09/343983809.db2.gz UOJOREWXJVEXOU-UHFFFAOYSA-N 0 0 183.210 2.604 10 30 AFEERN C=CC(=O)C1CCC(F)(F)CC1 137152036 343983833 /nfs/dbraw/zinc/98/38/33/343983833.db2.gz RQFOCNJXDDVHAD-UHFFFAOYSA-N 0 0 174.190 2.567 10 30 AFEERN C=CCOc1cc(C)ccc1OC 137284270 343984475 /nfs/dbraw/zinc/98/44/75/343984475.db2.gz VFAHLXZVAOSIGP-UHFFFAOYSA-N 0 0 178.231 2.568 10 30 AFEERN N#Cc1cccc([C@@H]2C=CC(=O)CC2)c1 139547224 343995262 /nfs/dbraw/zinc/99/52/62/343995262.db2.gz SQNNAHURRDJHSA-LLVKDONJSA-N 0 0 197.237 2.561 10 30 AFEERN CCN(CC)c1cccc(C)c1C#N 138633235 343989870 /nfs/dbraw/zinc/98/98/70/343989870.db2.gz GXGIQYWYDFHYPU-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN CC/C(C)=C1\CCCCC1=O 142474350 344012937 /nfs/dbraw/zinc/01/29/37/344012937.db2.gz RSHIZIUSBPANAE-CMDGGOBGSA-N 0 0 152.237 2.856 10 30 AFEERN C=C1CN1[C@@H](C)c1ccccc1 143127943 344016550 /nfs/dbraw/zinc/01/65/50/344016550.db2.gz PQJGBMOVBHWIEE-NUHJPDEHSA-N 0 0 159.232 2.577 10 30 AFEERN C/C(=N\O)c1c(F)cccc1Cl 144305111 344026234 /nfs/dbraw/zinc/02/62/34/344026234.db2.gz YKJOTRAZTYWEMP-VZUCSPMQSA-N 0 0 187.601 2.677 10 30 AFEERN CC#Cc1ccc(Br)cc1 116811414 170997757 /nfs/dbraw/zinc/99/77/57/170997757.db2.gz ZXEYXWFEAUAXQG-UHFFFAOYSA-N 0 0 195.059 2.821 10 30 in-vitro AFEERN CC(=O)/C=C/CCC(C)C 2010383 171003410 /nfs/dbraw/zinc/00/34/10/171003410.db2.gz QFSMRIFNMXHJQK-FNORWQNLSA-N 0 0 140.226 2.568 10 30 endogenous,in-man AFEERN CC(C)c1cccc(CC=O)c1 1997120 171003645 /nfs/dbraw/zinc/00/36/45/171003645.db2.gz PLBFBQRBPDVZMR-UHFFFAOYSA-N 0 0 162.232 2.551 10 30 AFEERN N#CC(C#N)Cc1ccccc1Cl 2006865 171003826 /nfs/dbraw/zinc/00/38/26/171003826.db2.gz YETVIAIVJSRDFR-UHFFFAOYSA-N 0 0 190.633 2.546 10 30 AFEERN N#CC(C#N)Cc1ccc(Cl)cc1 2033130 171004393 /nfs/dbraw/zinc/00/43/93/171004393.db2.gz KZVZSAZGEKLWOJ-UHFFFAOYSA-N 0 0 190.633 2.546 10 30 AFEERN CC(C)=CCC/C(C)=C/COCC=O 2384614 171005353 /nfs/dbraw/zinc/00/53/53/171005353.db2.gz LAUVMIDRJMQUQL-KPKJPENVSA-N 0 0 196.290 2.895 10 30 AFEERN CC/C=C/CC(C)(C)C=O 2528302 171006806 /nfs/dbraw/zinc/00/68/06/171006806.db2.gz RNRXOJVNGVIIBM-AATRIKPKSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)CC(=C)C 2528305 171006900 /nfs/dbraw/zinc/00/69/00/171006900.db2.gz ANKJYUSZUBOYDV-UHFFFAOYSA-N 0 0 96.173 2.529 10 30 AFEERN C=C[C@@](C)(C=O)CC=C(C)C 2575088 171007861 /nfs/dbraw/zinc/00/78/61/171007861.db2.gz FGBSITKWTRVADL-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN C=CC(=O)Cc1ccccc1Cl 2579467 171008103 /nfs/dbraw/zinc/00/81/03/171008103.db2.gz DQSHVFFTOOLVEO-UHFFFAOYSA-N 0 0 180.634 2.638 10 30 AFEERN C=CC(=O)Cc1cc(C)cc(C)c1 2579497 171008113 /nfs/dbraw/zinc/00/81/13/171008113.db2.gz PTOZFQSMVVKVPA-UHFFFAOYSA-N 0 0 174.243 2.601 10 30 AFEERN C=CC(=O)Cc1ccc(Cl)cc1 2579469 171008140 /nfs/dbraw/zinc/00/81/40/171008140.db2.gz ILJJXOCSOHBLJH-UHFFFAOYSA-N 0 0 180.634 2.638 10 30 AFEERN C=CC(=O)Cc1cccc(Cl)c1 2579468 171008320 /nfs/dbraw/zinc/00/83/20/171008320.db2.gz TXRYFOOOYWNOIK-UHFFFAOYSA-N 0 0 180.634 2.638 10 30 AFEERN C=CC(=O)Cc1ccc(C)c(C)c1 2579493 171008341 /nfs/dbraw/zinc/00/83/41/171008341.db2.gz SOMIMONNVWSGER-UHFFFAOYSA-N 0 0 174.243 2.601 10 30 AFEERN N#CCCCC(F)(F)C(F)(F)F 2540399 171009595 /nfs/dbraw/zinc/00/95/95/171009595.db2.gz HMHJMLOBKIRLHB-UHFFFAOYSA-N 0 0 187.111 2.878 10 30 AFEERN C=CCCc1nn(C)c2ccccc12 148277985 344052052 /nfs/dbraw/zinc/05/20/52/344052052.db2.gz XLJUZFSYSUJFCM-UHFFFAOYSA-N 0 0 186.258 2.692 10 30 AFEERN C=CCNc1nsc2ccccc12 148257552 344052270 /nfs/dbraw/zinc/05/22/70/344052270.db2.gz SAQLSPYWQIRYNI-UHFFFAOYSA-N 0 0 190.271 2.894 10 30 AFEERN CC(=O)/C=C/C=C\c1ccccc1 5105574 171015615 /nfs/dbraw/zinc/01/56/15/171015615.db2.gz PRNUCJKOERXADE-ZUVZAJTGSA-N 0 0 172.227 2.845 10 30 AFEERN C=C(C)[C@@H](C=O)CC=C(C)C 5158876 171015658 /nfs/dbraw/zinc/01/56/58/171015658.db2.gz PAIVGFRXYIGODL-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN C=C[C@](C)(C=O)CC=C(C)C 5158901 171015661 /nfs/dbraw/zinc/01/56/61/171015661.db2.gz FGBSITKWTRVADL-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN CC(C)=CC/C=C(/C)CC=O 5158505 171015871 /nfs/dbraw/zinc/01/58/71/171015871.db2.gz OJLMARCQPSGYNE-POHAHGRESA-N 0 0 152.237 2.878 10 30 AFEERN N#CCC1=Cc2ccccc2CC1 5341468 171016460 /nfs/dbraw/zinc/01/64/60/171016460.db2.gz QTADNCWTDKLYQH-UHFFFAOYSA-N 0 0 169.227 2.930 10 30 AFEERN CC1(C)[C@H]2CC=C(CCC=O)[C@@H]1C2 5765692 171017984 /nfs/dbraw/zinc/01/79/84/171017984.db2.gz DDFGFKGJBOILQZ-QWRGUYRKSA-N 0 0 178.275 2.958 10 30 AFEERN CC1(C)[C@H]2CC=C(CC=O)[C@@H]1C2 5765690 171018040 /nfs/dbraw/zinc/01/80/40/171018040.db2.gz BLKPFVWYBFDTPX-UWVGGRQHSA-N 0 0 164.248 2.568 10 30 biogenic,in-vitro AFEERN CC(=O)/C=C/c1ccccc1C 6071847 171018719 /nfs/dbraw/zinc/01/87/19/171018719.db2.gz WPSNJCPNIUVDHW-BQYQJAHWSA-N 0 0 160.216 2.597 10 30 AFEERN CC(=O)/C=C/[C@H](C)c1ccccc1 6019946 171018826 /nfs/dbraw/zinc/01/88/26/171018826.db2.gz ALFALFNFEGCXJO-DDXVTDLHSA-N 0 0 174.243 2.935 10 30 AFEERN CC(=O)/C=C/[C@@H](C)c1ccccc1 6032392 171019003 /nfs/dbraw/zinc/01/90/03/171019003.db2.gz ALFALFNFEGCXJO-AAXQSMANSA-N 0 0 174.243 2.935 10 30 AFEERN CC(=O)/C=C/c1cccc(C)c1 6071539 171019220 /nfs/dbraw/zinc/01/92/20/171019220.db2.gz MMKNUEPXVVBSGX-VOTSOKGWSA-N 0 0 160.216 2.597 10 30 AFEERN O/N=C/C(Cl)=C\c1ccccc1 8552814 171021470 /nfs/dbraw/zinc/02/14/70/171021470.db2.gz PJQVZKMPNJAPOM-QHAIXMIYSA-N 0 0 181.622 2.726 10 30 AFEERN C=C(C)C(=O)C1CCCCC1 8689917 171021817 /nfs/dbraw/zinc/02/18/17/171021817.db2.gz VLSWOEJMZXSMQF-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)c1cccc(OCC#N)c1 11834402 171023809 /nfs/dbraw/zinc/02/38/09/171023809.db2.gz SVRAWAJULLUNHP-UHFFFAOYSA-N 0 0 175.231 2.712 10 30 AFEERN N#CCCCn1ccc2cc(N)ccc21 36949969 171024952 /nfs/dbraw/zinc/02/49/52/171024952.db2.gz ONYBYZIIGORYIL-UHFFFAOYSA-N 0 0 199.257 2.527 10 30 AFEERN CCC1CCC(C[C@@H]2CO2)CC1 148380169 344054422 /nfs/dbraw/zinc/05/44/22/344054422.db2.gz CMJJKJSUVKFBID-VQXHTEKXSA-N 0 0 168.280 2.992 10 30 AFEERN O=C1C=C(c2cccc(O)c2)CCC1 12480108 171025787 /nfs/dbraw/zinc/02/57/87/171025787.db2.gz GDLILFYGISDSBR-UHFFFAOYSA-N 0 0 188.226 2.529 10 30 AFEERN N#CCCCSc1ccc(N)cc1 37182522 171027743 /nfs/dbraw/zinc/02/77/43/171027743.db2.gz XWRMEFBHQZTRAF-UHFFFAOYSA-N 0 0 192.287 2.665 10 30 AFEERN N#CCCCn1ccc2ccc(N)cc21 37222385 171028131 /nfs/dbraw/zinc/02/81/31/171028131.db2.gz NWOCAMLHZLTOPS-UHFFFAOYSA-N 0 0 199.257 2.527 10 30 AFEERN CC(C)=CC/C=C(\C)CC=O 15120277 171029025 /nfs/dbraw/zinc/02/90/25/171029025.db2.gz OJLMARCQPSGYNE-UXBLZVDNSA-N 0 0 152.237 2.878 10 30 endogenous,in-man AFEERN O=C1C=C(Cc2ccccc2)CCC1 15773540 171029576 /nfs/dbraw/zinc/02/95/76/171029576.db2.gz KOXOMBOOVTWPNC-UHFFFAOYSA-N 0 0 186.254 2.909 10 30 AFEERN CCN(CC)[C@@H](C#N)c1ccsc1 37355377 171030707 /nfs/dbraw/zinc/03/07/07/171030707.db2.gz XAVHRBBFTDAGTM-JTQLQIEISA-N 0 0 194.303 2.655 10 30 AFEERN CC(C)=CCC(C)(C)CC=O 17474299 171031753 /nfs/dbraw/zinc/03/17/53/171031753.db2.gz QWBRMOIHXYKAFG-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN CC(=O)/C=C(\C)CC(C)(C)C 17410601 171031880 /nfs/dbraw/zinc/03/18/80/171031880.db2.gz YQNTTZALAZYHKN-SOFGYWHQSA-N 0 0 154.253 2.958 10 30 AFEERN N#CC/C=C/c1ccccc1 19480083 171034095 /nfs/dbraw/zinc/03/40/95/171034095.db2.gz CQWHLNCODHOFCT-XBXARRHUSA-N 0 0 143.189 2.613 10 30 AFEERN SCCOc1cccc(Cl)c1 19415257 171034136 /nfs/dbraw/zinc/03/41/36/171034136.db2.gz AVAIVJFPWLPIJK-UHFFFAOYSA-N 0 0 188.679 2.649 10 30 AFEERN N#CCCOc1cccc(Cl)c1 19423409 171034162 /nfs/dbraw/zinc/03/41/62/171034162.db2.gz MFVLVUAWWFSZMB-UHFFFAOYSA-N 0 0 181.622 2.632 10 30 AFEERN SCCOc1ccc(Cl)cc1 19420742 171034177 /nfs/dbraw/zinc/03/41/77/171034177.db2.gz XMRBBCLFFFQZDK-UHFFFAOYSA-N 0 0 188.679 2.649 10 30 AFEERN SCCOc1ccccc1Cl 19415889 171034188 /nfs/dbraw/zinc/03/41/88/171034188.db2.gz YZYRALINECMDMC-UHFFFAOYSA-N 0 0 188.679 2.649 10 30 AFEERN N#CCCCOCc1ccccc1 19432659 171034343 /nfs/dbraw/zinc/03/43/43/171034343.db2.gz LCXIBFQKPWBUSG-UHFFFAOYSA-N 0 0 175.231 2.507 10 30 AFEERN SC/C=C/c1ccccc1 19420805 171034513 /nfs/dbraw/zinc/03/45/13/171034513.db2.gz BTPCKWYKRLIVJX-QPJJXVBHSA-N 0 0 150.246 2.630 10 30 AFEERN N#C[C@H](c1cccs1)C1CC1 19728938 171034887 /nfs/dbraw/zinc/03/48/87/171034887.db2.gz CUWZWGYVSIXJQV-QMMMGPOBSA-N 0 0 163.245 2.765 10 30 AFEERN N#C[C@@H](c1cccs1)C1CC1 19728939 171034893 /nfs/dbraw/zinc/03/48/93/171034893.db2.gz CUWZWGYVSIXJQV-MRVPVSSYSA-N 0 0 163.245 2.765 10 30 AFEERN N#C[C@@H](c1ccc(F)cc1)C1CC1 19728957 171034915 /nfs/dbraw/zinc/03/49/15/171034915.db2.gz INCYKXNPANWMIF-LLVKDONJSA-N 0 0 175.206 2.843 10 30 AFEERN CC(C)c1cccc(OC[C@H]2CO2)c1 19514965 171035023 /nfs/dbraw/zinc/03/50/23/171035023.db2.gz QXZRQBKRDAWMJD-LBPRGKRZSA-N 0 0 192.258 2.588 10 30 AFEERN Cc1ccc2[nH]c(C)c(CC#N)c2c1 19725615 171035080 /nfs/dbraw/zinc/03/50/80/171035080.db2.gz IGDCGIWEFWBZDI-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN N#C[C@H](c1ccc(F)cc1)C1CC1 19728956 171035330 /nfs/dbraw/zinc/03/53/30/171035330.db2.gz INCYKXNPANWMIF-NSHDSACASA-N 0 0 175.206 2.843 10 30 AFEERN N#CCC(=O)c1cc(Cl)ccc1F 19509820 171035426 /nfs/dbraw/zinc/03/54/26/171035426.db2.gz VANOIBPCHZYGTP-UHFFFAOYSA-N 0 0 197.596 2.575 10 30 AFEERN CC(C)(C)SCCCC#N 19870221 171036477 /nfs/dbraw/zinc/03/64/77/171036477.db2.gz WQEBNAYUPVMWID-UHFFFAOYSA-N 0 0 157.282 2.822 10 30 AFEERN CC(C)(C)Sc1ncccc1C#N 19870137 171036650 /nfs/dbraw/zinc/03/66/50/171036650.db2.gz SVJRFVFWTOMEPP-UHFFFAOYSA-N 0 0 192.287 2.844 10 30 AFEERN Cc1ccccc1[C@H](C#N)NC(C)C 19987141 171037136 /nfs/dbraw/zinc/03/71/36/171037136.db2.gz JOBBXPKFBHRHJX-LBPRGKRZSA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccccc1[C@@H](C#N)NC(C)C 19987146 171037150 /nfs/dbraw/zinc/03/71/50/171037150.db2.gz JOBBXPKFBHRHJX-GFCCVEGCSA-N 0 0 188.274 2.558 10 30 AFEERN CC(=O)/C=C/C(Cl)(Cl)Cl 20216360 171037618 /nfs/dbraw/zinc/03/76/18/171037618.db2.gz WYTWCHDMETZZSN-NSCUHMNNSA-N 0 0 187.453 2.502 10 30 AFEERN N#CC1(NC2CCCCC2)CCCC1 20177788 171037981 /nfs/dbraw/zinc/03/79/81/171037981.db2.gz AJISZDXYMQRGRL-UHFFFAOYSA-N 0 0 192.306 2.745 10 30 AFEERN N#CC1(NC2CCCC2)CCCCC1 20177891 171038119 /nfs/dbraw/zinc/03/81/19/171038119.db2.gz MEJDCBFTEVFVOR-UHFFFAOYSA-N 0 0 192.306 2.745 10 30 AFEERN N#CCCOc1cccc2cccnc12 20296954 171038678 /nfs/dbraw/zinc/03/86/78/171038678.db2.gz SOOODXKZMQDMRB-UHFFFAOYSA-N 0 0 198.225 2.527 10 30 AFEERN CC(C)c1cccc(NCC#N)c1 20364598 171038813 /nfs/dbraw/zinc/03/88/13/171038813.db2.gz YVWFOFZQRORFLF-UHFFFAOYSA-N 0 0 174.247 2.745 10 30 AFEERN N#Cc1ccc(Oc2ccccc2)o1 20274442 171038850 /nfs/dbraw/zinc/03/88/50/171038850.db2.gz INUCJLACHYMABW-UHFFFAOYSA-N 0 0 185.182 2.944 10 30 AFEERN N#CCCCNc1c(F)cccc1F 20359449 171038934 /nfs/dbraw/zinc/03/89/34/171038934.db2.gz JHYUZIBRWCFUBY-UHFFFAOYSA-N 0 0 196.200 2.680 10 30 AFEERN C=C[C@@](C)(CC=O)CCCC(C)(C)O 22005342 171041087 /nfs/dbraw/zinc/04/10/87/171041087.db2.gz RMSSTDDQDYGBHH-GFCCVEGCSA-N 0 0 198.306 2.709 10 30 AFEERN O=C(/C=C/C(F)(F)F)c1ccco1 21998929 171041390 /nfs/dbraw/zinc/04/13/90/171041390.db2.gz NKRCCWBKHLLDJW-ONEGZZNKSA-N 0 0 190.120 2.581 10 30 AFEERN c1ccc([C@@H]2CC[C@@H]3O[C@@H]3C2)cc1 22175595 171041936 /nfs/dbraw/zinc/04/19/36/171041936.db2.gz KQNIOTJMXWFGHV-GRYCIOLGSA-N 0 0 174.243 2.722 10 30 AFEERN C=CCCC(=O)c1ccc(OC)cc1 38234832 171044036 /nfs/dbraw/zinc/04/40/36/171044036.db2.gz IFCIFYPGYHSAOT-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=CCCCCO[C@@H]1CCCCO1 38338741 171044180 /nfs/dbraw/zinc/04/41/80/171044180.db2.gz AAEDJRNOIMZNCN-NSHDSACASA-N 0 0 184.279 2.886 10 30 AFEERN C=CCCCC[C@@H](O)C(C)C 38415885 171044304 /nfs/dbraw/zinc/04/43/04/171044304.db2.gz NCQCMDMRWUAELP-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCCCO[C@H]1CCCCO1 38338743 171044407 /nfs/dbraw/zinc/04/44/07/171044407.db2.gz AAEDJRNOIMZNCN-LLVKDONJSA-N 0 0 184.279 2.886 10 30 AFEERN C=CCCCC[C@H](O)C(C)C 38415886 171044522 /nfs/dbraw/zinc/04/45/22/171044522.db2.gz NCQCMDMRWUAELP-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN CC(=O)/C=C/c1cc(C)c(O)c(C)c1 26378088 171045365 /nfs/dbraw/zinc/04/53/65/171045365.db2.gz PIVDVDIWHFLDEO-SNAWJCMRSA-N 0 0 190.242 2.611 10 30 AFEERN C=CCCCC(OCC)OCC 38879934 171045902 /nfs/dbraw/zinc/04/59/02/171045902.db2.gz WRDVRNIPMDDMJM-UHFFFAOYSA-N 0 0 172.268 2.742 10 30 AFEERN C=CCCC(=O)c1ccc(C)o1 38810146 171046093 /nfs/dbraw/zinc/04/60/93/171046093.db2.gz MNUVHHDWMZFDQY-UHFFFAOYSA-N 0 0 164.204 2.737 10 30 AFEERN CCCCc1ccc(N/C=N/O)cc1 26820674 171046097 /nfs/dbraw/zinc/04/60/97/171046097.db2.gz BQPCBRFOSWMALO-UHFFFAOYSA-N 0 0 192.262 2.859 10 30 AFEERN C=CCCCCC[C@@H](O)CC 39647590 171046596 /nfs/dbraw/zinc/04/65/96/171046596.db2.gz YCDLGAFLEUBSPU-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN N#CCCCCCCCn1ccnc1 39320294 171046632 /nfs/dbraw/zinc/04/66/32/171046632.db2.gz IZBHHQXNLMSWOR-UHFFFAOYSA-N 0 0 191.278 2.747 10 30 AFEERN C=CCCCCC[C@H](O)CC 39647591 171046708 /nfs/dbraw/zinc/04/67/08/171046708.db2.gz YCDLGAFLEUBSPU-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN SC1(S)CCCCC1 31554236 171048343 /nfs/dbraw/zinc/04/83/43/171048343.db2.gz VSARMWHOISBCGR-UHFFFAOYSA-N 0 0 148.296 2.506 10 30 AFEERN C=C(C)CC(=O)CC(C)(C)C 17410160 171048527 /nfs/dbraw/zinc/04/85/27/171048527.db2.gz YYWJJWANGZMEIW-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1ccccc1NC[C@H](C)C#N 32006804 171049267 /nfs/dbraw/zinc/04/92/67/171049267.db2.gz NEOYZFBLQMULNZ-SECBINFHSA-N 0 0 174.247 2.567 10 30 AFEERN N#CCCNc1ccc(F)c(Cl)c1 32009672 171049354 /nfs/dbraw/zinc/04/93/54/171049354.db2.gz HQZHYKMHRVLLOI-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN Cc1ccccc1C1=CC(=O)CC1 32006650 171049409 /nfs/dbraw/zinc/04/94/09/171049409.db2.gz ARGFNNRWWWPVQO-UHFFFAOYSA-N 0 0 172.227 2.741 10 30 AFEERN Cc1ccccc1N[C@@H](C)CC#N 32006795 171049434 /nfs/dbraw/zinc/04/94/34/171049434.db2.gz JXMUWQNFVGZYJC-JTQLQIEISA-N 0 0 174.247 2.709 10 30 AFEERN Cc1ccccc1NC[C@@H](C)C#N 32006806 171049540 /nfs/dbraw/zinc/04/95/40/171049540.db2.gz NEOYZFBLQMULNZ-VIFPVBQESA-N 0 0 174.247 2.567 10 30 AFEERN O=C1C=C(c2ccccc2F)CC1 32006860 171049624 /nfs/dbraw/zinc/04/96/24/171049624.db2.gz RSXBJPATXJJIGG-UHFFFAOYSA-N 0 0 176.190 2.572 10 30 AFEERN O=C1C=C(c2ccc(F)cc2)CC1 32006862 171049722 /nfs/dbraw/zinc/04/97/22/171049722.db2.gz CIMXUOWIPKPUKE-UHFFFAOYSA-N 0 0 176.190 2.572 10 30 AFEERN O=C(/C=C\Cl)c1ccccc1 31771043 171049745 /nfs/dbraw/zinc/04/97/45/171049745.db2.gz MHZUGELJKUYWQA-SREVYHEPSA-N 0 0 166.607 2.622 10 30 AFEERN Cc1ccccc1N[C@H](C)CC#N 32006797 171049784 /nfs/dbraw/zinc/04/97/84/171049784.db2.gz JXMUWQNFVGZYJC-SNVBAGLBSA-N 0 0 174.247 2.709 10 30 AFEERN CC(=O)/C=C/Sc1ccccc1 33706384 171051299 /nfs/dbraw/zinc/05/12/99/171051299.db2.gz IUDATFOKAOFQMH-BQYQJAHWSA-N 0 0 178.256 2.881 10 30 AFEERN CC(C)(C)C(=O)/C=C/c1ccncc1 33827744 171051478 /nfs/dbraw/zinc/05/14/78/171051478.db2.gz DBVYOBSHXGTDLT-SNAWJCMRSA-N 0 0 189.258 2.710 10 30 AFEERN CCC/C=C/C(=O)CCC 33821173 171051655 /nfs/dbraw/zinc/05/16/55/171051655.db2.gz HKLWIJVPORVEGF-SOFGYWHQSA-N 0 0 140.226 2.712 10 30 AFEERN CC(=O)/C=C(/C)c1ccccc1 33845837 171052303 /nfs/dbraw/zinc/05/23/03/171052303.db2.gz XURWDTLVUCJELJ-HJWRWDBZSA-N 0 0 160.216 2.679 10 30 AFEERN N#CC1(Sc2ccccc2)CC1 34077758 171052948 /nfs/dbraw/zinc/05/29/48/171052948.db2.gz DZLUPDJANJRYQC-UHFFFAOYSA-N 0 0 175.256 2.835 10 30 AFEERN N#Cc1ccc2sc(C=O)cc2c1 34091273 171053028 /nfs/dbraw/zinc/05/30/28/171053028.db2.gz WCTIDZVDTNFABJ-UHFFFAOYSA-N 0 0 187.223 2.585 10 30 AFEERN C=CC(=O)C12CC3CC(CC(C3)C1)C2 34154007 171053144 /nfs/dbraw/zinc/05/31/44/171053144.db2.gz HNHDHMKSKXZBCA-UHFFFAOYSA-N 0 0 190.286 2.958 10 30 AFEERN CC(C)/C=N\C(=O)OC(C)(C)C 34353940 171055112 /nfs/dbraw/zinc/05/51/12/171055112.db2.gz CDEBYRMCHGSDLL-POHAHGRESA-N 0 0 171.240 2.648 10 30 AFEERN SCCc1ccccc1Cl 34353767 171055143 /nfs/dbraw/zinc/05/51/43/171055143.db2.gz TZMSNXHKWBFVME-UHFFFAOYSA-N 0 0 172.680 2.812 10 30 AFEERN Cc1ccccc1[C@H](O)C(C)(C)C#N 34450021 171055629 /nfs/dbraw/zinc/05/56/29/171055629.db2.gz CFFSUDHNJWUFAD-NSHDSACASA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccccc1[C@@H](O)C(C)(C)C#N 34450023 171055887 /nfs/dbraw/zinc/05/58/87/171055887.db2.gz CFFSUDHNJWUFAD-LLVKDONJSA-N 0 0 189.258 2.578 10 30 AFEERN CC(C)=C/C=C1\SC=CC1=O 34616100 171056411 /nfs/dbraw/zinc/05/64/11/171056411.db2.gz SDZJTNBZSVZPNX-WTKPLQERSA-N 0 0 166.245 2.666 10 30 AFEERN N#Cc1ccccc1NCC1CCC1 34653217 171057157 /nfs/dbraw/zinc/05/71/57/171057157.db2.gz IUMFPWIUSBIPKM-UHFFFAOYSA-N 0 0 186.258 2.770 10 30 AFEERN N#CCCOC/C=C/c1ccccc1 34958444 171057217 /nfs/dbraw/zinc/05/72/17/171057217.db2.gz XTDIDVXUBHNUPB-XBXARRHUSA-N 0 0 187.242 2.630 10 30 AFEERN N#CC1(NC2CC2)CCCCCCC1 34973907 171057322 /nfs/dbraw/zinc/05/73/22/171057322.db2.gz MQBBSBZDKIZIGM-UHFFFAOYSA-N 0 0 192.306 2.745 10 30 AFEERN N#CCCNc1cc(Cl)ccc1F 35083598 171058518 /nfs/dbraw/zinc/05/85/18/171058518.db2.gz BKEUJDDZOFBQEZ-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN N#CCCCn1ccc2ccccc21 36459161 171061579 /nfs/dbraw/zinc/06/15/79/171061579.db2.gz QKEGGVSLKQLKNP-UHFFFAOYSA-N 0 0 184.242 2.945 10 30 AFEERN CCCCc1cc(C#N)c(N)s1 36673610 171061590 /nfs/dbraw/zinc/06/15/90/171061590.db2.gz DZFKPGAPDQDOEW-UHFFFAOYSA-N 0 0 180.276 2.545 10 30 AFEERN CC(C)=C1CC[C@@H](C)[C@H](C)C1=O 36458806 171061804 /nfs/dbraw/zinc/06/18/04/171061804.db2.gz ZGWZVNJXOIXFSX-BDAKNGLRSA-N 0 0 166.264 2.958 10 30 AFEERN N#C[C@@H](C(=O)C1CCC1)c1ccccc1 36930348 171062221 /nfs/dbraw/zinc/06/22/21/171062221.db2.gz OKLWFEZHLCUFET-GFCCVEGCSA-N 0 0 199.253 2.663 10 30 AFEERN CCNc1ccc(C(C)(C)C#N)cc1 36922333 171062435 /nfs/dbraw/zinc/06/24/35/171062435.db2.gz KOVMVGOSHIWMIF-UHFFFAOYSA-N 0 0 188.274 2.920 10 30 AFEERN C=C(C)[C@@H]1CC=C(C2OCCO2)CC1 38996553 171063104 /nfs/dbraw/zinc/06/31/04/171063104.db2.gz NLJONZHBAFEYSN-SNVBAGLBSA-N 0 0 194.274 2.662 10 30 AFEERN N#CC1(N2CCCC2)CCCCCC1 37355470 171063875 /nfs/dbraw/zinc/06/38/75/171063875.db2.gz HJSOPYLMRGCUBB-UHFFFAOYSA-N 0 0 192.306 2.699 10 30 AFEERN N#C[C@@H](C1CCCCC1)N1CCCC1 37355521 171064227 /nfs/dbraw/zinc/06/42/27/171064227.db2.gz LEMBZNMGBLJSAK-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN N#CC1(Nc2ccccc2)CCC1 37935417 171066200 /nfs/dbraw/zinc/06/62/00/171066200.db2.gz MDYFDIFVLPSKNL-UHFFFAOYSA-N 0 0 172.231 2.545 10 30 AFEERN CCCCCCCC(=O)[C@@H](O)CC 73164475 171066406 /nfs/dbraw/zinc/06/64/06/171066406.db2.gz QCXZLPPMMJTYLV-JTQLQIEISA-N 0 0 186.295 2.687 10 30 AFEERN CCCCCCCC(=O)[C@H](O)CC 73160794 171066537 /nfs/dbraw/zinc/06/65/37/171066537.db2.gz QCXZLPPMMJTYLV-SNVBAGLBSA-N 0 0 186.295 2.687 10 30 AFEERN N#CC1(NCC2CC2)CCCCCC1 37946804 171067053 /nfs/dbraw/zinc/06/70/53/171067053.db2.gz MKMCYWSPRNDKJV-UHFFFAOYSA-N 0 0 192.306 2.603 10 30 AFEERN Cc1ccccc1NC1(C#N)CCC1 37938090 171067070 /nfs/dbraw/zinc/06/70/70/171067070.db2.gz SDHLDGWLUYYIPU-UHFFFAOYSA-N 0 0 186.258 2.853 10 30 AFEERN N#CC1(Nc2cccc(F)c2)CCC1 37937133 171067110 /nfs/dbraw/zinc/06/71/10/171067110.db2.gz YEIHCYGIYPISEU-UHFFFAOYSA-N 0 0 190.221 2.684 10 30 AFEERN N#CC1(Nc2ccc(F)cc2)CCC1 37935924 171067154 /nfs/dbraw/zinc/06/71/54/171067154.db2.gz KLQYFUWVEIOWOM-UHFFFAOYSA-N 0 0 190.221 2.684 10 30 AFEERN N#CC1(Nc2ccccc2F)CCC1 37939035 171067330 /nfs/dbraw/zinc/06/73/30/171067330.db2.gz OBPSGDYDLPXARC-UHFFFAOYSA-N 0 0 190.221 2.684 10 30 AFEERN N#CC1(NC2CCCCCC2)CCC1 37970332 171067432 /nfs/dbraw/zinc/06/74/32/171067432.db2.gz WNHQYZCRWPCETJ-UHFFFAOYSA-N 0 0 192.306 2.745 10 30 AFEERN CC(=O)C[C@H](C)C1(C=O)CCCCC1 75599462 171068066 /nfs/dbraw/zinc/06/80/66/171068066.db2.gz ZFKRDMMTFVZPBV-JTQLQIEISA-N 0 0 196.290 2.751 10 30 AFEERN CC(=O)C[C@@H](C)C1(C=O)CCCCC1 75599464 171068119 /nfs/dbraw/zinc/06/81/19/171068119.db2.gz ZFKRDMMTFVZPBV-SNVBAGLBSA-N 0 0 196.290 2.751 10 30 AFEERN N#CC1(N2CCCCCC2)CCCC1 38086174 171068276 /nfs/dbraw/zinc/06/82/76/171068276.db2.gz WKKWXUALGKGCEV-UHFFFAOYSA-N 0 0 192.306 2.699 10 30 AFEERN SCC[C@H]1CCCc2cccnc21 38337478 171069037 /nfs/dbraw/zinc/06/90/37/171069037.db2.gz VPTGQGXGXJTGGJ-SNVBAGLBSA-N 0 0 193.315 2.821 10 30 AFEERN O=C1C=C(CCc2ccccc2)CC1 38338769 171069338 /nfs/dbraw/zinc/06/93/38/171069338.db2.gz JEYCCLDUUZGRLF-UHFFFAOYSA-N 0 0 186.254 2.909 10 30 AFEERN SCC[C@@H]1CCCc2cccnc21 38337477 171069588 /nfs/dbraw/zinc/06/95/88/171069588.db2.gz VPTGQGXGXJTGGJ-JTQLQIEISA-N 0 0 193.315 2.821 10 30 AFEERN CC(C)=C1CC[C@@H](C)[C@@H](C)C1=O 38582931 171070241 /nfs/dbraw/zinc/07/02/41/171070241.db2.gz ZGWZVNJXOIXFSX-RKDXNWHRSA-N 0 0 166.264 2.958 10 30 AFEERN O=C(/C=C/c1ccccc1F)C1CC1 38804740 171070526 /nfs/dbraw/zinc/07/05/26/171070526.db2.gz PXDYVTZESFQAEF-BQYQJAHWSA-N 0 0 190.217 2.818 10 30 AFEERN [N-]=[N+]=Nc1sccc1C=O 38915983 171070741 /nfs/dbraw/zinc/07/07/41/171070741.db2.gz XMKBQONYMVKEKQ-UHFFFAOYSA-N 0 0 153.166 2.502 10 30 AFEERN SCCSCc1ccccc1 38860389 171070894 /nfs/dbraw/zinc/07/08/94/171070894.db2.gz VZXMYFJZZWWXDO-UHFFFAOYSA-N 0 0 184.329 2.850 10 30 AFEERN CC(C)=C1CC[C@@H](C)[C@H]1C=O 39062341 171072351 /nfs/dbraw/zinc/07/23/51/171072351.db2.gz HYEFBISLRAHOFL-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@H]1CCC(C)=C1C(C)=O 39071661 171072796 /nfs/dbraw/zinc/07/27/96/171072796.db2.gz OEJLHXWXJGHAQF-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C[C@@H](C)CC)C(C)=O 39069070 171073088 /nfs/dbraw/zinc/07/30/88/171073088.db2.gz ZEPJCMZHBLODIA-ZETCQYMHSA-N 0 0 140.226 2.568 10 30 AFEERN COC1(C#N)CCCCCCC1 39089649 171074019 /nfs/dbraw/zinc/07/40/19/171074019.db2.gz LETSZVSINMWWJB-UHFFFAOYSA-N 0 0 167.252 2.639 10 30 AFEERN F[C@@H]1O[C@]1(F)C1CCCCC1 39088954 171074067 /nfs/dbraw/zinc/07/40/67/171074067.db2.gz COFKXKRBVYWYPH-HTQZYQBOSA-N 0 0 162.179 2.558 10 30 AFEERN N#CC/C=C\c1ccc(F)cc1 39088870 171074344 /nfs/dbraw/zinc/07/43/44/171074344.db2.gz BKDAEXXOGAJEGU-IWQZZHSRSA-N 0 0 161.179 2.753 10 30 AFEERN F[C@@H]1O[C@@]1(F)C1CCCCC1 39088955 171074490 /nfs/dbraw/zinc/07/44/90/171074490.db2.gz COFKXKRBVYWYPH-SFYZADRCSA-N 0 0 162.179 2.558 10 30 AFEERN N#CCCCc1ccc(F)cc1 39089006 171074494 /nfs/dbraw/zinc/07/44/94/171074494.db2.gz JEZGIAVMNVLFAC-UHFFFAOYSA-N 0 0 163.195 2.672 10 30 AFEERN CC(C)=C1CC=C(/C=N\O)CC1 39104045 171074631 /nfs/dbraw/zinc/07/46/31/171074631.db2.gz AOOJSQSMMGEZSE-XFFZJAGNSA-N 0 0 165.236 2.893 10 30 AFEERN CC(C)c1cccc2c1[C@@H]1O[C@@H]1C2 39104725 171074647 /nfs/dbraw/zinc/07/46/47/171074647.db2.gz JFIQWRRWDCWJHW-ZYHUDNBSSA-N 0 0 174.243 2.806 10 30 AFEERN CC(C)=C1CC(C)=C(C)C1=O 39103028 171074659 /nfs/dbraw/zinc/07/46/59/171074659.db2.gz IYXGHSZMSAMSGL-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(C)=C1C=CC(=C(C)C)C1=O 39103812 171074684 /nfs/dbraw/zinc/07/46/84/171074684.db2.gz PBWIQCVVXCXFPI-UHFFFAOYSA-N 0 0 162.232 2.798 10 30 AFEERN CC(C)c1cccc2c1[C@H]1O[C@H]1C2 39104726 171075030 /nfs/dbraw/zinc/07/50/30/171075030.db2.gz JFIQWRRWDCWJHW-JQWIXIFHSA-N 0 0 174.243 2.806 10 30 AFEERN O=C1C=C(OC2CCCCC2)CCC1 39119236 171075972 /nfs/dbraw/zinc/07/59/72/171075972.db2.gz IRHUNFUWWPEIBG-UHFFFAOYSA-N 0 0 194.274 2.973 10 30 AFEERN COC1=CC(=O)[C@H](C(C)(C)C)CC1 39119337 171076299 /nfs/dbraw/zinc/07/62/99/171076299.db2.gz OKMUPQDWWXJPJP-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN COC1=CC(=O)[C@@H](C(C)(C)C)CC1 39119339 171076372 /nfs/dbraw/zinc/07/63/72/171076372.db2.gz OKMUPQDWWXJPJP-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN N#CC(F)(F)Sc1ccccc1 39168675 171076930 /nfs/dbraw/zinc/07/69/30/171076930.db2.gz WRMXFPVDKGIGAL-UHFFFAOYSA-N 0 0 185.198 2.895 10 30 AFEERN CCC/C=N/C(=O)c1ccccc1 39136825 171076935 /nfs/dbraw/zinc/07/69/35/171076935.db2.gz AFLVYHRGVVIMAL-FMIVXFBMSA-N 0 0 175.231 2.698 10 30 AFEERN SCCSC1CCCCC1 39251341 171077450 /nfs/dbraw/zinc/07/74/50/171077450.db2.gz SITRHIYWGAHLBB-UHFFFAOYSA-N 0 0 176.350 2.982 10 30 AFEERN C=C(C)C(=O)CCCCC 39250316 171077556 /nfs/dbraw/zinc/07/75/56/171077556.db2.gz BQJMIUVBCXHAHY-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN N#CCC1C2CC3CC(C2)CC1C3 39248584 171077568 /nfs/dbraw/zinc/07/75/68/171077568.db2.gz VMOQPWKALNDRAR-UHFFFAOYSA-N 0 0 175.275 2.972 10 30 AFEERN O=C1C=Cc2c(Cl)csc21 39294598 171077983 /nfs/dbraw/zinc/07/79/83/171077983.db2.gz JIBUSJKFEZHSKV-UHFFFAOYSA-N 0 0 170.620 2.611 10 30 AFEERN CC1(C#N)CCCCCC1 39318624 171078090 /nfs/dbraw/zinc/07/80/90/171078090.db2.gz YLEQPKOYISNXLP-UHFFFAOYSA-N 0 0 137.226 2.870 10 30 AFEERN O=C1C=C(c2ccccc2O)CCC1 39298569 171078094 /nfs/dbraw/zinc/07/80/94/171078094.db2.gz ZKRWZSFUIKHVCY-UHFFFAOYSA-N 0 0 188.226 2.529 10 30 AFEERN CC(=O)/C=C/c1ccc(C)s1 39258562 171078277 /nfs/dbraw/zinc/07/82/77/171078277.db2.gz JFIKTYJLTAXRNJ-HWKANZROSA-N 0 0 166.245 2.659 10 30 AFEERN C/C=C/CCC[C@@H](C)C=O 39409474 171078843 /nfs/dbraw/zinc/07/88/43/171078843.db2.gz VBAUMYRIIBIDHL-CDAZIORVSA-N 0 0 140.226 2.568 10 30 AFEERN N#CCCCCOCc1ccccc1 39438452 171078848 /nfs/dbraw/zinc/07/88/48/171078848.db2.gz GIACUJPVGHEXPE-UHFFFAOYSA-N 0 0 189.258 2.897 10 30 AFEERN CC(=O)/C=C/c1c(C)cccc1C 39386837 171078898 /nfs/dbraw/zinc/07/88/98/171078898.db2.gz RYPTVGIUNNOQJF-BQYQJAHWSA-N 0 0 174.243 2.906 10 30 AFEERN C[C@@H]1CC/C(=N/O)c2ccccc21 39414455 171078956 /nfs/dbraw/zinc/07/89/56/171078956.db2.gz VTXPMOXBXCAZHL-RWKJSZNZSA-N 0 0 175.231 2.762 10 30 AFEERN C/C=C/CCC[C@H](C)C=O 39409475 171079037 /nfs/dbraw/zinc/07/90/37/171079037.db2.gz VBAUMYRIIBIDHL-NWALNABHSA-N 0 0 140.226 2.568 10 30 AFEERN C[C@H]1CC/C(=N/O)c2ccccc21 39414456 171079048 /nfs/dbraw/zinc/07/90/48/171079048.db2.gz VTXPMOXBXCAZHL-WYNUBKAASA-N 0 0 175.231 2.762 10 30 AFEERN CC(C)=C(C)[C@@]1(C)OC1(C)C 39650910 171079271 /nfs/dbraw/zinc/07/92/71/171079271.db2.gz DIHICKLSRCCNHN-SNVBAGLBSA-N 0 0 154.253 2.910 10 30 AFEERN C=CCCCC1=CC(=O)CC1 39647901 171079494 /nfs/dbraw/zinc/07/94/94/171079494.db2.gz VMRUMXUBPHCDQM-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(C)=C(C)[C@]1(C)OC1(C)C 39650911 171079625 /nfs/dbraw/zinc/07/96/25/171079625.db2.gz DIHICKLSRCCNHN-JTQLQIEISA-N 0 0 154.253 2.910 10 30 AFEERN C=CC(=O)CC1CCCCC1 39642978 171079732 /nfs/dbraw/zinc/07/97/32/171079732.db2.gz FUDGKOYKGKOYJB-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN N#CCCOC1CCCCCC1 40228010 171080325 /nfs/dbraw/zinc/08/03/25/171080325.db2.gz FEYRHCOBBBDOBC-UHFFFAOYSA-N 0 0 167.252 2.639 10 30 AFEERN C=CC(=C)C1CCCC1 140635175 171080341 /nfs/dbraw/zinc/08/03/41/171080341.db2.gz ZNLAFZOEKDTLMY-UHFFFAOYSA-N 0 0 122.211 2.919 10 30 AFEERN N#CCCCNc1cccc(F)c1F 40230768 171080783 /nfs/dbraw/zinc/08/07/83/171080783.db2.gz SKWIZOGCOGMQRX-UHFFFAOYSA-N 0 0 196.200 2.680 10 30 AFEERN Cc1ccccc1N[C@H](C#N)C(C)C 41049473 171082322 /nfs/dbraw/zinc/08/23/22/171082322.db2.gz ZFFVCWHWRJMVKH-GFCCVEGCSA-N 0 0 188.274 2.955 10 30 AFEERN Cc1ccccc1N[C@H](C#N)C1CC1 41047362 171082431 /nfs/dbraw/zinc/08/24/31/171082431.db2.gz MAQYHFIXIKHKNQ-GFCCVEGCSA-N 0 0 186.258 2.709 10 30 AFEERN Cc1ccccc1[C@@H]1C[C@H]1C#N 41167346 171082469 /nfs/dbraw/zinc/08/24/69/171082469.db2.gz KJLDLHXBVYRXPG-GXSJLCMTSA-N 0 0 157.216 2.622 10 30 AFEERN N#C[C@H](Nc1cccc(F)c1)C1CC1 41047353 171082477 /nfs/dbraw/zinc/08/24/77/171082477.db2.gz NVEGWZMFIWLYSL-NSHDSACASA-N 0 0 190.221 2.540 10 30 AFEERN N#C[C@H](Nc1ccc(F)cc1)C1CC1 41047343 171082557 /nfs/dbraw/zinc/08/25/57/171082557.db2.gz NUUJKHPETCRIDG-NSHDSACASA-N 0 0 190.221 2.540 10 30 AFEERN Cc1ccccc1N[C@@H](C#N)C1CC1 41047361 171082561 /nfs/dbraw/zinc/08/25/61/171082561.db2.gz MAQYHFIXIKHKNQ-LBPRGKRZSA-N 0 0 186.258 2.709 10 30 AFEERN N#CCCCc1cccs1 41167135 171082577 /nfs/dbraw/zinc/08/25/77/171082577.db2.gz NSWIBIOVBFEYTO-UHFFFAOYSA-N 0 0 151.234 2.594 10 30 AFEERN N#C[C@@H](Nc1ccccc1F)C1CC1 41047370 171082600 /nfs/dbraw/zinc/08/26/00/171082600.db2.gz MSNQGFUKVSTIAF-LLVKDONJSA-N 0 0 190.221 2.540 10 30 AFEERN Cc1ccccc1[C@@H]1C[C@@H]1C#N 41167342 171082623 /nfs/dbraw/zinc/08/26/23/171082623.db2.gz KJLDLHXBVYRXPG-MWLCHTKSSA-N 0 0 157.216 2.622 10 30 AFEERN Cc1ccccc1N[C@@H](C#N)C(C)C 41049472 171082634 /nfs/dbraw/zinc/08/26/34/171082634.db2.gz ZFFVCWHWRJMVKH-LBPRGKRZSA-N 0 0 188.274 2.955 10 30 AFEERN N#C[C@@H](Nc1ccc(F)cc1)C1CC1 41047344 171082678 /nfs/dbraw/zinc/08/26/78/171082678.db2.gz NUUJKHPETCRIDG-LLVKDONJSA-N 0 0 190.221 2.540 10 30 AFEERN N#C[C@@H](Nc1cccc(F)c1)C1CC1 41047354 171082696 /nfs/dbraw/zinc/08/26/96/171082696.db2.gz NVEGWZMFIWLYSL-LLVKDONJSA-N 0 0 190.221 2.540 10 30 AFEERN N#C[C@H](Nc1ccccc1F)C1CC1 41047369 171082719 /nfs/dbraw/zinc/08/27/19/171082719.db2.gz MSNQGFUKVSTIAF-NSHDSACASA-N 0 0 190.221 2.540 10 30 AFEERN COc1ccccc1[C@@H](C#N)C(C)C 41204565 171083160 /nfs/dbraw/zinc/08/31/60/171083160.db2.gz JLNNRZYUVLTFNK-NSHDSACASA-N 0 0 189.258 2.958 10 30 AFEERN Cc1ccccc1[C@H](C#N)CC#N 41168305 171083286 /nfs/dbraw/zinc/08/32/86/171083286.db2.gz XXDCJEWSSJULCB-JTQLQIEISA-N 0 0 170.215 2.516 10 30 AFEERN Cc1ccccc1OCC(C)(C)C#N 41204645 171083301 /nfs/dbraw/zinc/08/33/01/171083301.db2.gz NMWFHXTUOBHDJG-UHFFFAOYSA-N 0 0 189.258 2.924 10 30 AFEERN Cc1ccccc1[C@@H](C#N)CC#N 41168307 171083493 /nfs/dbraw/zinc/08/34/93/171083493.db2.gz XXDCJEWSSJULCB-SNVBAGLBSA-N 0 0 170.215 2.516 10 30 AFEERN C=C[C@@H]1OC1(C(C)C)C(C)C 39103253 171083874 /nfs/dbraw/zinc/08/38/74/171083874.db2.gz NGQOUDCWCTWXCI-VIFPVBQESA-N 0 0 154.253 2.622 10 30 AFEERN N#CCCC(=O)c1ccc(Cl)s1 41210077 171084093 /nfs/dbraw/zinc/08/40/93/171084093.db2.gz XMTCMVRFHBMIPS-UHFFFAOYSA-N 0 0 199.662 2.888 10 30 AFEERN C=C[C@H]1OC1(C(C)C)C(C)C 39103254 171084098 /nfs/dbraw/zinc/08/40/98/171084098.db2.gz NGQOUDCWCTWXCI-SECBINFHSA-N 0 0 154.253 2.622 10 30 AFEERN N#CCCNc1ccc(Cl)cc1F 42221190 171086024 /nfs/dbraw/zinc/08/60/24/171086024.db2.gz AJLRLLDLFJGUEF-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN N#CCCNc1ccc(Cl)c(F)c1 42580114 171086702 /nfs/dbraw/zinc/08/67/02/171086702.db2.gz RQJWUSHLDBRGOJ-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN Cc1ccccc1C(=O)C[C@@H](C)C#N 43368287 171087068 /nfs/dbraw/zinc/08/70/68/171087068.db2.gz PJUICYHTERXHIU-SECBINFHSA-N 0 0 187.242 2.728 10 30 AFEERN Cc1ccccc1C(=O)C[C@H](C)C#N 43368288 171087122 /nfs/dbraw/zinc/08/71/22/171087122.db2.gz PJUICYHTERXHIU-VIFPVBQESA-N 0 0 187.242 2.728 10 30 AFEERN CC(=O)/C=C/Sc1ccc(O)cc1 43071496 171087183 /nfs/dbraw/zinc/08/71/83/171087183.db2.gz BMACTJGPAGQQPO-VOTSOKGWSA-N 0 0 194.255 2.587 10 30 AFEERN Cc1ccc(C#N)c(SC(C)C)n1 43400922 171087220 /nfs/dbraw/zinc/08/72/20/171087220.db2.gz XLJQQZFZVBMRFZ-UHFFFAOYSA-N 0 0 192.287 2.762 10 30 AFEERN N#CCC1=Cc2ccccc2C1 44369910 171089513 /nfs/dbraw/zinc/08/95/13/171089513.db2.gz ROOBQCPKKXWNKS-UHFFFAOYSA-N 0 0 155.200 2.540 10 30 AFEERN N#CC/C=C/c1ccccc1CC#N 44371410 171089694 /nfs/dbraw/zinc/08/96/94/171089694.db2.gz RPKXGSBKTWUFHT-XVNBXDOJSA-N 0 0 182.226 2.680 10 30 AFEERN N#CC/C=C/c1ccc(CC#N)cc1 44371421 171089812 /nfs/dbraw/zinc/08/98/12/171089812.db2.gz DYRFKMITYOZVDR-HNQUOIGGSA-N 0 0 182.226 2.680 10 30 AFEERN N#CCCCCc1nc2ccccc2[nH]1 44550793 171090664 /nfs/dbraw/zinc/09/06/64/171090664.db2.gz PBBQJYCBNGAGBS-UHFFFAOYSA-N 0 0 199.257 2.799 10 30 AFEERN SCCc1nc2ccccc2s1 45238126 171092113 /nfs/dbraw/zinc/09/21/13/171092113.db2.gz OWYFOPWBBHKOLP-UHFFFAOYSA-N 0 0 195.312 2.769 10 30 AFEERN N#Cc1c(F)cccc1-c1ccncc1 47212953 171093132 /nfs/dbraw/zinc/09/31/32/171093132.db2.gz PJFJDSXJOCMYAF-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1c(F)cccc1-c1cccnc1 47212951 171093150 /nfs/dbraw/zinc/09/31/50/171093150.db2.gz ADZFXJJLGAMILO-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cccc(-c2ccccc2)c1N 47203520 171093295 /nfs/dbraw/zinc/09/32/95/171093295.db2.gz LPRPDNZXGBMWAK-UHFFFAOYSA-N 0 0 194.237 2.807 10 30 AFEERN CC(C)c1cnc(C(C)C)c(C#N)n1 45814590 171093493 /nfs/dbraw/zinc/09/34/93/171093493.db2.gz HLYUWIBVBNAYTQ-UHFFFAOYSA-N 0 0 189.262 2.595 10 30 AFEERN Cc1ccccc1C(=O)[C@H](C)CC#N 48258980 171093786 /nfs/dbraw/zinc/09/37/86/171093786.db2.gz GKCWAVGSUHJAAQ-SNVBAGLBSA-N 0 0 187.242 2.728 10 30 AFEERN CC(=O)/C=C/Cc1c[nH]c2ccccc12 40423001 171093847 /nfs/dbraw/zinc/09/38/47/171093847.db2.gz YUVYQIGZURGQFH-SNAWJCMRSA-N 0 0 199.253 2.856 10 30 AFEERN Cc1ccccc1[C@@H](C)N[C@H](C)C#N 47826458 171093976 /nfs/dbraw/zinc/09/39/76/171093976.db2.gz GHGDZESCSBJDIB-GHMZBOCLSA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccccc1[C@H](C)N[C@H](C)C#N 47826460 171094071 /nfs/dbraw/zinc/09/40/71/171094071.db2.gz GHGDZESCSBJDIB-MNOVXSKESA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccccc1[C@@H](C)N[C@@H](C)C#N 47826454 171094240 /nfs/dbraw/zinc/09/42/40/171094240.db2.gz GHGDZESCSBJDIB-WDEREUQCSA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccccc1C(=O)[C@@H](C)CC#N 48258978 171094255 /nfs/dbraw/zinc/09/42/55/171094255.db2.gz GKCWAVGSUHJAAQ-JTQLQIEISA-N 0 0 187.242 2.728 10 30 AFEERN Cc1ccccc1[C@H](C)N[C@@H](C)C#N 47826455 171094331 /nfs/dbraw/zinc/09/43/31/171094331.db2.gz GHGDZESCSBJDIB-QWRGUYRKSA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccccc1[C@@H](O)[C@H](C)CC#N 49806407 171094922 /nfs/dbraw/zinc/09/49/22/171094922.db2.gz YAXNRSVPHWGZNO-PWSUYJOCSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccccc1N(C)C[C@H](C)C#N 49806303 171094978 /nfs/dbraw/zinc/09/49/78/171094978.db2.gz VDWDBTSBKBIENG-SNVBAGLBSA-N 0 0 188.274 2.591 10 30 AFEERN Cc1ccccc1[C@@H](O)[C@@H](C)CC#N 49806405 171095034 /nfs/dbraw/zinc/09/50/34/171095034.db2.gz YAXNRSVPHWGZNO-JQWIXIFHSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccccc1[C@H](O)C[C@@H](C)C#N 49806408 171095038 /nfs/dbraw/zinc/09/50/38/171095038.db2.gz PXQKNEOOPXVWJV-BXKDBHETSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccccc1[C@@H](O)C[C@@H](C)C#N 49806409 171095067 /nfs/dbraw/zinc/09/50/67/171095067.db2.gz PXQKNEOOPXVWJV-SKDRFNHKSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccccc1[C@H](O)C[C@H](C)C#N 49806410 171095094 /nfs/dbraw/zinc/09/50/94/171095094.db2.gz PXQKNEOOPXVWJV-JOYOIKCWSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccccc1[C@H](O)[C@H](C)CC#N 49806406 171095101 /nfs/dbraw/zinc/09/51/01/171095101.db2.gz YAXNRSVPHWGZNO-ZYHUDNBSSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccccc1[C@@H](O)C[C@H](C)C#N 49806411 171095105 /nfs/dbraw/zinc/09/51/05/171095105.db2.gz PXQKNEOOPXVWJV-CABZTGNLSA-N 0 0 189.258 2.578 10 30 AFEERN N#CC(C#N)Cc1cccc(Cl)c1 49806628 171095116 /nfs/dbraw/zinc/09/51/16/171095116.db2.gz GICVRZNMESRSHW-UHFFFAOYSA-N 0 0 190.633 2.546 10 30 AFEERN Cc1ccccc1[C@H](O)[C@@H](C)CC#N 49806404 171095132 /nfs/dbraw/zinc/09/51/32/171095132.db2.gz YAXNRSVPHWGZNO-CMPLNLGQSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccccc1N(C)C[C@@H](C)C#N 49806302 171095285 /nfs/dbraw/zinc/09/52/85/171095285.db2.gz VDWDBTSBKBIENG-JTQLQIEISA-N 0 0 188.274 2.591 10 30 AFEERN N#C[C@@H](NC1CCCC1)C1CCCC1 50272582 171095548 /nfs/dbraw/zinc/09/55/48/171095548.db2.gz RNILTRLNDSTZNM-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN CC(C)(C)C(=O)C1=CCCC1 50325041 171095554 /nfs/dbraw/zinc/09/55/54/171095554.db2.gz WFPHPXKAJRCLMY-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN N#C[C@H](NC1CCCC1)C1CCCC1 50272583 171095762 /nfs/dbraw/zinc/09/57/62/171095762.db2.gz RNILTRLNDSTZNM-LBPRGKRZSA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@@H](C)C(=O)C1=CCCC1 50325125 171096061 /nfs/dbraw/zinc/09/60/61/171096061.db2.gz IROKJGSJZUMAIB-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1ccc(C#N)cc1NCC(F)F 50430397 171096637 /nfs/dbraw/zinc/09/66/37/171096637.db2.gz SPIHHYXIESYDSU-UHFFFAOYSA-N 0 0 196.200 2.544 10 30 AFEERN Cc1ccc(C#N)cc1-n1cccc1 50436643 171096768 /nfs/dbraw/zinc/09/67/68/171096768.db2.gz BVZHFMCNBRAQPM-UHFFFAOYSA-N 0 0 182.226 2.657 10 30 AFEERN N#CCCCCn1ncc2ccccc21 50525894 171097042 /nfs/dbraw/zinc/09/70/42/171097042.db2.gz KUIAJURDMBKVFV-UHFFFAOYSA-N 0 0 199.257 2.730 10 30 AFEERN Cc1ccc(C#N)c(OCC(C)C)c1 51598328 171097244 /nfs/dbraw/zinc/09/72/44/171097244.db2.gz CYPTXZLKQMXSJW-UHFFFAOYSA-N 0 0 189.258 2.902 10 30 AFEERN Cc1ccc(C#N)c(N(C)C(C)C)c1 51597272 171097261 /nfs/dbraw/zinc/09/72/61/171097261.db2.gz HTDJXPDWFJDBBT-UHFFFAOYSA-N 0 0 188.274 2.711 10 30 AFEERN Cc1ccc(C#N)c(OC(C)C)c1 51598341 171097269 /nfs/dbraw/zinc/09/72/69/171097269.db2.gz JPRDSJPGAMYBOR-UHFFFAOYSA-N 0 0 175.231 2.654 10 30 AFEERN Cc1ccc(C#N)c(NCC2CC2)c1 51578665 171097289 /nfs/dbraw/zinc/09/72/89/171097289.db2.gz PSGLCYXNHFIUCA-UHFFFAOYSA-N 0 0 186.258 2.689 10 30 AFEERN Cc1ccc(C#N)c(OCC2CC2)c1 51598403 171097314 /nfs/dbraw/zinc/09/73/14/171097314.db2.gz NAPRXPOXCOMAGG-UHFFFAOYSA-N 0 0 187.242 2.656 10 30 AFEERN Cc1ccc(C#N)c(OC2CCC2)c1 51598530 171097332 /nfs/dbraw/zinc/09/73/32/171097332.db2.gz UPVARXMJHTVRHN-UHFFFAOYSA-N 0 0 187.242 2.798 10 30 AFEERN Cc1ccc(C#N)c(NC2CCC2)c1 52211314 171097847 /nfs/dbraw/zinc/09/78/47/171097847.db2.gz FWWFVIOCFDSASV-UHFFFAOYSA-N 0 0 186.258 2.831 10 30 AFEERN Cc1ccc(C#N)c(N[C@H]2C[C@@H]2C)c1 52290350 171098513 /nfs/dbraw/zinc/09/85/13/171098513.db2.gz CIDQTIVJNUFOSH-ONGXEEELSA-N 0 0 186.258 2.687 10 30 AFEERN C/C=C/CC1=C(C)CCC1=O 87492914 171098530 /nfs/dbraw/zinc/09/85/30/171098530.db2.gz IVLCENBZDYVJPA-ONEGZZNKSA-N 0 0 150.221 2.632 10 30 AFEERN Cc1ccc(C#N)c(N[C@@H]2C[C@H]2C)c1 52290352 171098598 /nfs/dbraw/zinc/09/85/98/171098598.db2.gz CIDQTIVJNUFOSH-MWLCHTKSSA-N 0 0 186.258 2.687 10 30 AFEERN Cc1ccc(C#N)c(N[C@@H]2C[C@@H]2C)c1 52290348 171098678 /nfs/dbraw/zinc/09/86/78/171098678.db2.gz CIDQTIVJNUFOSH-GXSJLCMTSA-N 0 0 186.258 2.687 10 30 AFEERN Cc1ccc(C#N)c(N[C@H]2C[C@H]2C)c1 52290355 171098862 /nfs/dbraw/zinc/09/88/62/171098862.db2.gz CIDQTIVJNUFOSH-KOLCDFICSA-N 0 0 186.258 2.687 10 30 AFEERN N#C[C@@H]1CC(=O)c2cc(Cl)ccc21 57488446 171099887 /nfs/dbraw/zinc/09/98/87/171099887.db2.gz BNDKLNLZHZWEFD-LURJTMIESA-N 0 0 191.617 2.534 10 30 AFEERN SCCc1ccc2c(c1)CCC2 57936111 171099900 /nfs/dbraw/zinc/09/99/00/171099900.db2.gz PLNQDFUNSLVKMD-UHFFFAOYSA-N 0 0 178.300 2.648 10 30 AFEERN N#C[C@@H]1CC(=O)c2cccc(Cl)c21 57488449 171100325 /nfs/dbraw/zinc/10/03/25/171100325.db2.gz ZEZUJLJSICDPIK-LURJTMIESA-N 0 0 191.617 2.534 10 30 AFEERN Fc1ccc(CCCS)cc1 58518413 171100727 /nfs/dbraw/zinc/10/07/27/171100727.db2.gz ATIITIVZBZSORA-UHFFFAOYSA-N 0 0 170.252 2.688 10 30 AFEERN CC(=O)/C=C/c1sccc1C 58003840 171100985 /nfs/dbraw/zinc/10/09/85/171100985.db2.gz UVUNLUJLQHILSW-ONEGZZNKSA-N 0 0 166.245 2.659 10 30 AFEERN Cc1ccccc1CCCS 58518136 171101066 /nfs/dbraw/zinc/10/10/66/171101066.db2.gz IGSZAJWGVRVUQO-UHFFFAOYSA-N 0 0 166.289 2.857 10 30 AFEERN SCCCc1cccs1 58517776 171101093 /nfs/dbraw/zinc/10/10/93/171101093.db2.gz KNOQPNRCJCEBPD-UHFFFAOYSA-N 0 0 158.291 2.611 10 30 AFEERN Cc1ccccc1CC(C)(C#N)C#N 58520334 171101658 /nfs/dbraw/zinc/10/16/58/171101658.db2.gz ZFAYXQOMSXDOFC-UHFFFAOYSA-N 0 0 184.242 2.591 10 30 AFEERN N#CC1(c2nccs2)CCCCC1 62152418 171102565 /nfs/dbraw/zinc/10/25/65/171102565.db2.gz IZMRWXHFZTWNLX-UHFFFAOYSA-N 0 0 192.287 2.869 10 30 AFEERN CNc1ccc(C(C)(C)C#N)cc1 62796726 171103709 /nfs/dbraw/zinc/10/37/09/171103709.db2.gz JPRDTXFJBFZALI-UHFFFAOYSA-N 0 0 174.247 2.529 10 30 AFEERN Fc1ccc(C#Cc2ccncc2)cc1 90558095 171105515 /nfs/dbraw/zinc/10/55/15/171105515.db2.gz SNRLXGAYOSNQDX-UHFFFAOYSA-N 0 0 197.212 2.621 10 30 AFEERN C=C(Cc1c[nH]c2ccccc12)C(C)=O 90756216 171105825 /nfs/dbraw/zinc/10/58/25/171105825.db2.gz WBIQLAGLOAPOFE-UHFFFAOYSA-N 0 0 199.253 2.856 10 30 AFEERN Cc1ccc2[nH]cc(C(=O)CC#N)c2c1 70453484 171105995 /nfs/dbraw/zinc/10/59/95/171105995.db2.gz NTPBHRWPOFDYII-UHFFFAOYSA-N 0 0 198.225 2.573 10 30 AFEERN CC(=O)/C=C/c1cc(C)cc(C)c1 70586479 171106352 /nfs/dbraw/zinc/10/63/52/171106352.db2.gz PCFYIQMDJNXXDZ-SNAWJCMRSA-N 0 0 174.243 2.906 10 30 AFEERN CC(=O)/C=C/c1cc(C)ccc1C 70586481 171106418 /nfs/dbraw/zinc/10/64/18/171106418.db2.gz VUNZNMCBJQBBMT-VOTSOKGWSA-N 0 0 174.243 2.906 10 30 AFEERN CC(=O)/C=C/c1ccc(C)cc1C 70586461 171106447 /nfs/dbraw/zinc/10/64/47/171106447.db2.gz CDMRZWHEBWVEOH-FNORWQNLSA-N 0 0 174.243 2.906 10 30 AFEERN CC(=O)/C=C/c1ccc(F)c(F)c1 70586483 171106464 /nfs/dbraw/zinc/10/64/64/171106464.db2.gz BVMBIDOZJLNWKF-NSCUHMNNSA-N 0 0 182.169 2.567 10 30 AFEERN CC(=O)/C=C/c1ccc(F)cc1F 70586497 171106470 /nfs/dbraw/zinc/10/64/70/171106470.db2.gz GHLZMZVZIRWHQY-NSCUHMNNSA-N 0 0 182.169 2.567 10 30 AFEERN CC(=O)/C=C/c1ccc(C)c(C)c1 70586455 171106770 /nfs/dbraw/zinc/10/67/70/171106770.db2.gz SSIDFJIMQWCDNK-FNORWQNLSA-N 0 0 174.243 2.906 10 30 AFEERN CC(=O)/C=C/c1cccc(C)c1C 70586447 171106771 /nfs/dbraw/zinc/10/67/71/171106771.db2.gz QQVPXVAMJCHTRS-BQYQJAHWSA-N 0 0 174.243 2.906 10 30 AFEERN SCCCCc1ccco1 71495589 171107193 /nfs/dbraw/zinc/10/71/93/171107193.db2.gz ZEJUGFPKOUGHQA-UHFFFAOYSA-N 0 0 156.250 2.532 10 30 AFEERN N#CC1(c2ccc(Cl)s2)CC1 71257285 171107229 /nfs/dbraw/zinc/10/72/29/171107229.db2.gz KHMYZYTYFJWNRP-UHFFFAOYSA-N 0 0 183.663 2.957 10 30 AFEERN O=C1C=C(c2cccc(F)c2)CC1 71496984 171108134 /nfs/dbraw/zinc/10/81/34/171108134.db2.gz AAIPVTRFHCSYDJ-UHFFFAOYSA-N 0 0 176.190 2.572 10 30 AFEERN [N-]=[N+]=Nc1nc2ccccc2o1 71773048 171108434 /nfs/dbraw/zinc/10/84/34/171108434.db2.gz ZXDAKOWPKIKOOW-UHFFFAOYSA-N 0 0 160.136 2.770 10 30 AFEERN Cc1cc(C)cc([C@@]2(C)CO2)c1 148616257 344056439 /nfs/dbraw/zinc/05/64/39/344056439.db2.gz QWYVKKNDXWBJGV-LLVKDONJSA-N 0 0 162.232 2.549 10 30 AFEERN [N-]=[N+]=Nc1nnc(-c2ccccc2)o1 75484440 171111395 /nfs/dbraw/zinc/11/13/95/171111395.db2.gz UECBWUDTWQFZEK-UHFFFAOYSA-N 0 0 187.162 2.678 10 30 AFEERN N#Cc1ccc(Oc2ccncc2)cc1 73313631 171111899 /nfs/dbraw/zinc/11/18/99/171111899.db2.gz JJRURZUTCNAXKT-UHFFFAOYSA-N 0 0 196.209 2.746 10 30 AFEERN [N-]=[N+]=Nc1nnc(-c2cccs2)o1 75484437 171112126 /nfs/dbraw/zinc/11/21/26/171112126.db2.gz OUCTUQAVSOXIDF-UHFFFAOYSA-N 0 0 193.191 2.740 10 30 AFEERN CC(C)=C1CC[C@@H](C#N)C1 75524980 171112259 /nfs/dbraw/zinc/11/22/59/171112259.db2.gz SZIUIOJLCALYSZ-MRVPVSSYSA-N 0 0 135.210 2.646 10 30 AFEERN C/C=C/CC(C)(C)C#N 75520752 171112297 /nfs/dbraw/zinc/11/22/97/171112297.db2.gz VPVPGBLFNPCLOY-SNAWJCMRSA-N 0 0 123.199 2.502 10 30 AFEERN C=C(C)[C@@H](C)C(C)(C)C#N 75525765 171112324 /nfs/dbraw/zinc/11/23/24/171112324.db2.gz NSJZTEMHBMVZJG-MRVPVSSYSA-N 0 0 137.226 2.748 10 30 AFEERN CCC/C=C/CCC#N 75520880 171112335 /nfs/dbraw/zinc/11/23/35/171112335.db2.gz VITUUPSBMLBWTN-SNAWJCMRSA-N 0 0 123.199 2.646 10 30 AFEERN CC(C)=C(C)CC(C)(C)C=O 75541807 171112440 /nfs/dbraw/zinc/11/24/40/171112440.db2.gz ZTOQTLCPNHABBJ-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN CC(C)=C1CC[C@@H](CC=O)C1 75539706 171112522 /nfs/dbraw/zinc/11/25/22/171112522.db2.gz SKQPAZVBABDPMY-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CC/C=C/[C@@H]1CC=CC[C@@H]1C=O 75546305 171112948 /nfs/dbraw/zinc/11/29/48/171112948.db2.gz DOIROHKQXAYZDF-NNPIPJJVSA-N 0 0 164.248 2.734 10 30 AFEERN CC(C)(C)[C@@H](C#N)c1ccc[nH]1 75545466 171112955 /nfs/dbraw/zinc/11/29/55/171112955.db2.gz RCYIKEGAGOXMQM-QMMMGPOBSA-N 0 0 162.236 2.668 10 30 AFEERN CC/C=C/[C@H]1CC=CC[C@H]1C=O 75546313 171113037 /nfs/dbraw/zinc/11/30/37/171113037.db2.gz DOIROHKQXAYZDF-LUSJXZINSA-N 0 0 164.248 2.734 10 30 AFEERN CC/C=C/[C@@H]1CC=CC[C@H]1C=O 75546311 171113048 /nfs/dbraw/zinc/11/30/48/171113048.db2.gz DOIROHKQXAYZDF-MFFLNWJUSA-N 0 0 164.248 2.734 10 30 AFEERN CC(C)(C)[C@@H](CC#N)CCC#N 75546434 171113059 /nfs/dbraw/zinc/11/30/59/171113059.db2.gz KCFVTZMUKHMNEJ-SECBINFHSA-N 0 0 164.252 2.866 10 30 AFEERN CC/C=C/[C@H]1CC=CC[C@@H]1C=O 75546309 171113075 /nfs/dbraw/zinc/11/30/75/171113075.db2.gz DOIROHKQXAYZDF-YBGSMITQSA-N 0 0 164.248 2.734 10 30 AFEERN N#CCC(CC#N)c1ccccc1 75559740 171113219 /nfs/dbraw/zinc/11/32/19/171113219.db2.gz PTYUGKRGFBYREI-UHFFFAOYSA-N 0 0 170.215 2.598 10 30 AFEERN N#Cc1ccc([C@H]2C=CCC2)c(N)c1 75576605 171113675 /nfs/dbraw/zinc/11/36/75/171113675.db2.gz HDDRROHUIRFCLR-JTQLQIEISA-N 0 0 184.242 2.574 10 30 AFEERN C[C@H]1CC[C@@H](C(C)(C)C#N)C(=O)C1 75569508 171113682 /nfs/dbraw/zinc/11/36/82/171113682.db2.gz IAZHGWOCMDEPHK-DTWKUNHWSA-N 0 0 179.263 2.541 10 30 AFEERN N#Cc1ccc2cc(C=O)ccc2c1 75570527 171113684 /nfs/dbraw/zinc/11/36/84/171113684.db2.gz WKUDIPHFBLCTFN-UHFFFAOYSA-N 0 0 181.194 2.524 10 30 AFEERN N#Cc1ccc2cc(C=O)sc2c1 75577658 171113749 /nfs/dbraw/zinc/11/37/49/171113749.db2.gz FHEDZQXIAKWOMX-UHFFFAOYSA-N 0 0 187.223 2.585 10 30 AFEERN N#C[C@@H](c1ccccc1)n1cccc1 75575997 171113779 /nfs/dbraw/zinc/11/37/79/171113779.db2.gz MXNLLDBWAKFVRU-LBPRGKRZSA-N 0 0 182.226 2.601 10 30 AFEERN N#Cc1ccc2sc(C#N)cc2c1 75576515 171113832 /nfs/dbraw/zinc/11/38/32/171113832.db2.gz JCIYKDKYRCSDGH-UHFFFAOYSA-N 0 0 184.223 2.645 10 30 AFEERN N#Cc1ccc([C@@H]2C=CCC2)c(N)c1 75576606 171113865 /nfs/dbraw/zinc/11/38/65/171113865.db2.gz HDDRROHUIRFCLR-SNVBAGLBSA-N 0 0 184.242 2.574 10 30 AFEERN N#C[C@H](c1ccccc1)n1cccc1 75575996 171113940 /nfs/dbraw/zinc/11/39/40/171113940.db2.gz MXNLLDBWAKFVRU-GFCCVEGCSA-N 0 0 182.226 2.601 10 30 AFEERN CC(C)=CC(=O)c1ccc(C#N)cc1 75576888 171113959 /nfs/dbraw/zinc/11/39/59/171113959.db2.gz AJOWBHDEGSYALW-UHFFFAOYSA-N 0 0 185.226 2.707 10 30 AFEERN N#Cc1nc(-c2ccccc2)cs1 75847082 171115276 /nfs/dbraw/zinc/11/52/76/171115276.db2.gz XVZKWIUQEQRQLV-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN O=C1C=C(c2ccc(O)cc2)CCC1 75864702 171115787 /nfs/dbraw/zinc/11/57/87/171115787.db2.gz NRYNHGSQLCSDQM-UHFFFAOYSA-N 0 0 188.226 2.529 10 30 AFEERN O=C1C=C(c2ccccc2F)CCC1 75864636 171115807 /nfs/dbraw/zinc/11/58/07/171115807.db2.gz DKHRECZLOVECNL-UHFFFAOYSA-N 0 0 190.217 2.962 10 30 AFEERN O=C1C=C(c2cccc(F)c2)CCC1 75864707 171115982 /nfs/dbraw/zinc/11/59/82/171115982.db2.gz KXHIRWQTWSZRBK-UHFFFAOYSA-N 0 0 190.217 2.962 10 30 AFEERN O=C1C=C(c2ccc(F)cc2)CCC1 75864706 171115989 /nfs/dbraw/zinc/11/59/89/171115989.db2.gz MJBJTBWDJFLDKJ-UHFFFAOYSA-N 0 0 190.217 2.962 10 30 AFEERN N#CC1(c2c(F)ccc(F)c2F)CC1 75934309 171116318 /nfs/dbraw/zinc/11/63/18/171116318.db2.gz DCXFUQHHKKSWNT-UHFFFAOYSA-N 0 0 197.159 2.659 10 30 AFEERN N#CC1(c2ccc(F)c(F)c2F)CC1 75934307 171116339 /nfs/dbraw/zinc/11/63/39/171116339.db2.gz YZRIEBZOCCROFY-UHFFFAOYSA-N 0 0 197.159 2.659 10 30 AFEERN O=C1C=C(c2ccc3c(c2)CCC3)CC1 77296352 171120314 /nfs/dbraw/zinc/12/03/14/171120314.db2.gz ZEFXKHPFKSYIRE-UHFFFAOYSA-N 0 0 198.265 2.922 10 30 AFEERN O=C1C=C(c2ccc(F)c(F)c2)CC1 77278554 171120355 /nfs/dbraw/zinc/12/03/55/171120355.db2.gz RUHTZQKSGBGSGC-UHFFFAOYSA-N 0 0 194.180 2.711 10 30 AFEERN O=C1C=C(c2ccc(F)cc2F)CC1 77278560 171120468 /nfs/dbraw/zinc/12/04/68/171120468.db2.gz RREYYXQRSPGUIN-UHFFFAOYSA-N 0 0 194.180 2.711 10 30 AFEERN O=C1C=C(c2cc(F)ccc2F)CC1 77278549 171120724 /nfs/dbraw/zinc/12/07/24/171120724.db2.gz GHZWJGMZZWPAHJ-UHFFFAOYSA-N 0 0 194.180 2.711 10 30 AFEERN N#Cc1ccccc1CC(F)(F)F 83276193 171130215 /nfs/dbraw/zinc/13/02/15/171130215.db2.gz VOZUHRBBUQYQJK-UHFFFAOYSA-N 0 0 185.148 2.663 10 30 AFEERN C/C=C(/C)[C@]1(C)C=CC(=O)CC1 83333089 171130700 /nfs/dbraw/zinc/13/07/00/171130700.db2.gz CXDRAURUIKECGK-KSHIFHCESA-N 0 0 164.248 2.878 10 30 AFEERN C/C=C(/C)[C@@]1(C)C=CC(=O)CC1 83333085 171130794 /nfs/dbraw/zinc/13/07/94/171130794.db2.gz CXDRAURUIKECGK-NJHLSQGMSA-N 0 0 164.248 2.878 10 30 AFEERN CCCCCCCC(O)=CC=O 86036047 171132165 /nfs/dbraw/zinc/13/21/65/171132165.db2.gz FPWYXHKGPQQAAG-UHFFFAOYSA-N 0 0 170.252 2.505 10 30 AFEERN C=C[C@](C)(C#N)Cc1ccccc1 86864374 171133134 /nfs/dbraw/zinc/13/31/34/171133134.db2.gz UKLOORXNVRHFRM-LBPRGKRZSA-N 0 0 171.243 2.945 10 30 AFEERN C=C[C@@](C)(C#N)Cc1ccccc1 86864376 171133422 /nfs/dbraw/zinc/13/34/22/171133422.db2.gz UKLOORXNVRHFRM-GFCCVEGCSA-N 0 0 171.243 2.945 10 30 AFEERN C#C[C@@H](C)Nc1cccc(Cl)c1 34589388 171134956 /nfs/dbraw/zinc/13/49/56/171134956.db2.gz BAIOSIYJYRVIAF-MRVPVSSYSA-N 0 0 179.650 2.774 10 30 AFEERN N#Cc1ccc(OC2CC2)cc1Cl 95736156 171137989 /nfs/dbraw/zinc/13/79/89/171137989.db2.gz WAYIAMSRALUFDK-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN N#Cc1ccc(OC2CC2)c(Cl)c1 95736112 171138057 /nfs/dbraw/zinc/13/80/57/171138057.db2.gz WBABGUZNMOOOBZ-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN N#Cc1ccccc1Cc1ccncc1 95934947 171140509 /nfs/dbraw/zinc/14/05/09/171140509.db2.gz IRGBLOQYAVZMJU-UHFFFAOYSA-N 0 0 194.237 2.544 10 30 AFEERN N#Cc1ccccc1C1CCC(=O)CC1 95917577 171140656 /nfs/dbraw/zinc/14/06/56/171140656.db2.gz ZVLBJKNGHKHYDG-UHFFFAOYSA-N 0 0 199.253 2.785 10 30 AFEERN N#Cc1nc2cc3ccccc3cc2[nH]1 95923179 171140699 /nfs/dbraw/zinc/14/06/99/171140699.db2.gz USQZDBQDACGOBP-UHFFFAOYSA-N 0 0 193.209 2.588 10 30 AFEERN C#CC(=O)/C=C/CCCCCC 96914848 171142682 /nfs/dbraw/zinc/14/26/82/171142682.db2.gz GMDASBWUUSIEDT-MDZDMXLPSA-N 0 0 164.248 2.715 10 30 AFEERN C/C=C/C(=O)c1ccc(C)cc1 100198659 171144183 /nfs/dbraw/zinc/14/41/83/171144183.db2.gz MBUPPCVGQPATEI-ONEGZZNKSA-N 0 0 160.216 2.754 10 30 AFEERN C/C=C\C(=O)CCCCC 100824169 171145505 /nfs/dbraw/zinc/14/55/05/171145505.db2.gz WTAYWTBOEQYGOG-DAXSKMNVSA-N 0 0 140.226 2.712 10 30 endogenous,in-man AFEERN CC(O)=C1Sc2ccccc2C1=O 101153735 171146040 /nfs/dbraw/zinc/14/60/40/171146040.db2.gz REPSGRJZLXGWHO-POHAHGRESA-N 0 0 192.239 2.765 10 30 AFEERN CCCN[C@@H](C#N)c1ccc(C)s1 41675134 171146320 /nfs/dbraw/zinc/14/63/20/171146320.db2.gz JJECOWRCNJVYRK-VIFPVBQESA-N 0 0 194.303 2.621 10 30 AFEERN CCON=CNc1ccc(Cl)cc1 103183452 171146621 /nfs/dbraw/zinc/14/66/21/171146621.db2.gz BHEHUDADFHVGMF-UHFFFAOYSA-N 0 0 198.653 2.732 10 30 AFEERN CCON=CNc1ccc(CC)cc1 103184678 171146710 /nfs/dbraw/zinc/14/67/10/171146710.db2.gz DHEPTYXYAVYAER-UHFFFAOYSA-N 0 0 192.262 2.641 10 30 AFEERN CCCN[C@@H](C#N)c1sccc1C 41673257 171146781 /nfs/dbraw/zinc/14/67/81/171146781.db2.gz PIHPHNSQVMTNSW-VIFPVBQESA-N 0 0 194.303 2.621 10 30 AFEERN CCON=CNc1cccc(Cl)c1 103183450 171146889 /nfs/dbraw/zinc/14/68/89/171146889.db2.gz YFGQVUFZJFSCEG-UHFFFAOYSA-N 0 0 198.653 2.732 10 30 AFEERN N#CCCCCNc1ccc(F)cc1 42221096 171147088 /nfs/dbraw/zinc/14/70/88/171147088.db2.gz CRWJLFXLAOWJCO-UHFFFAOYSA-N 0 0 192.237 2.931 10 30 AFEERN N#CCCCCn1cnc2ccccc21 42214058 171147126 /nfs/dbraw/zinc/14/71/26/171147126.db2.gz STHKTENZCCUQIU-UHFFFAOYSA-N 0 0 199.257 2.730 10 30 AFEERN N#CCCCCNc1cccc(F)c1 42221114 171147158 /nfs/dbraw/zinc/14/71/58/171147158.db2.gz LUDSZWJBVMZGGX-UHFFFAOYSA-N 0 0 192.237 2.931 10 30 AFEERN CCCCCCCC(=O)N1CC=CC1 103289808 171147180 /nfs/dbraw/zinc/14/71/80/171147180.db2.gz ADEZFTIPKSHFFD-UHFFFAOYSA-N 0 0 195.306 2.745 10 30 AFEERN N#CCCCCNc1ccccc1F 42221139 171147190 /nfs/dbraw/zinc/14/71/90/171147190.db2.gz ZLFQQDHOOFVAEE-UHFFFAOYSA-N 0 0 192.237 2.931 10 30 AFEERN N#CCCCCNc1ccccc1 42221071 171147258 /nfs/dbraw/zinc/14/72/58/171147258.db2.gz CZAVMJPXGANFMN-UHFFFAOYSA-N 0 0 174.247 2.792 10 30 AFEERN C/C=C/C(=O)CCCCC 104520302 171148158 /nfs/dbraw/zinc/14/81/58/171148158.db2.gz WTAYWTBOEQYGOG-QPJJXVBHSA-N 0 0 140.226 2.712 10 30 AFEERN C=C(Cl)CNc1cccc(C#N)c1 37488538 171150494 /nfs/dbraw/zinc/15/04/94/171150494.db2.gz RLAYKKHUUMYBGJ-UHFFFAOYSA-N 0 0 192.649 2.723 10 30 AFEERN C=CCCC(=O)C(C)(C)C 37479158 171150821 /nfs/dbraw/zinc/15/08/21/171150821.db2.gz HZLPMSTYCRBXKN-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(Cl)CNc1cccc(F)c1 37488452 171151072 /nfs/dbraw/zinc/15/10/72/171151072.db2.gz AIYPZHREMPSTTH-UHFFFAOYSA-N 0 0 185.629 2.990 10 30 AFEERN O=C(/C=C/c1ccccc1)c1ncco1 44138769 171152063 /nfs/dbraw/zinc/15/20/63/171152063.db2.gz RXICMXQZDIALTJ-VOTSOKGWSA-N 0 0 199.209 2.571 10 30 AFEERN N#CCCCCNc1ccccc1C#N 49578376 171153676 /nfs/dbraw/zinc/15/36/76/171153676.db2.gz XWQZAZABNCSMBQ-UHFFFAOYSA-N 0 0 199.257 2.664 10 30 AFEERN N#CCCCOCCc1cccs1 49585472 171153895 /nfs/dbraw/zinc/15/38/95/171153895.db2.gz KPQVYOFNTPMQQS-UHFFFAOYSA-N 0 0 195.287 2.611 10 30 AFEERN Cc1ccnc(C#C[Si](C)(C)C)c1 197976043 171153914 /nfs/dbraw/zinc/15/39/14/171153914.db2.gz GXVFLGYSDANOJO-UHFFFAOYSA-N 0 0 189.334 2.619 10 30 AFEERN Cc1ccc(C#C[Si](C)(C)C)nc1 197976051 171154051 /nfs/dbraw/zinc/15/40/51/171154051.db2.gz PBDNIOPZROFNME-UHFFFAOYSA-N 0 0 189.334 2.619 10 30 AFEERN N#CCCCCOC1CCCC1 49579509 171154160 /nfs/dbraw/zinc/15/41/60/171154160.db2.gz IKPXVPWIRSPPGU-UHFFFAOYSA-N 0 0 167.252 2.639 10 30 AFEERN C=Cc1cc(OC)c(C#N)cc1Cl 113484781 171154255 /nfs/dbraw/zinc/15/42/55/171154255.db2.gz RYUZCURUPKSJNB-UHFFFAOYSA-N 0 0 193.633 2.863 10 30 AFEERN N#CCCCCOCc1cccs1 49585469 171154479 /nfs/dbraw/zinc/15/44/79/171154479.db2.gz SFMGHXDNZVNCII-UHFFFAOYSA-N 0 0 195.287 2.959 10 30 AFEERN N#Cc1ccc2[nH]cc(Cl)c2c1 113744209 171154533 /nfs/dbraw/zinc/15/45/33/171154533.db2.gz FFWYOXSEMHRRRB-UHFFFAOYSA-N 0 0 176.606 2.693 10 30 AFEERN Cc1ccc(C#N)cc1N[C@H](C)CC#N 50430288 171155685 /nfs/dbraw/zinc/15/56/85/171155685.db2.gz RKPVANGEJIHIHM-SNVBAGLBSA-N 0 0 199.257 2.581 10 30 AFEERN Cc1ccc(C#N)cc1NCCCC#N 50430408 171155971 /nfs/dbraw/zinc/15/59/71/171155971.db2.gz PYQAQQFIRBSABA-UHFFFAOYSA-N 0 0 199.257 2.582 10 30 AFEERN Cc1ccc(C#N)cc1N[C@@H](C)CC#N 50430287 171156174 /nfs/dbraw/zinc/15/61/74/171156174.db2.gz RKPVANGEJIHIHM-JTQLQIEISA-N 0 0 199.257 2.581 10 30 AFEERN C#Cc1ccccc1C(=C)C 238158796 171156783 /nfs/dbraw/zinc/15/67/83/171156783.db2.gz LLCKZTOGPILQFY-UHFFFAOYSA-N 0 0 142.201 2.701 10 30 AFEERN CC#CCC(=O)CCc1ccccc1 51664604 171159587 /nfs/dbraw/zinc/15/95/87/171159587.db2.gz SDOLMESMKGADRH-UHFFFAOYSA-N 0 0 186.254 2.602 10 30 AFEERN C#Cc1cccc(NCc2ccc[nH]2)c1 51787838 171160607 /nfs/dbraw/zinc/16/06/07/171160607.db2.gz SBMZSZFAUQPBPP-UHFFFAOYSA-N 0 0 196.253 2.608 10 30 AFEERN N#CCCCOCC1CCCCC1 52154002 171161772 /nfs/dbraw/zinc/16/17/72/171161772.db2.gz NJDFRZXGFLDFLW-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN CCCCCCCC#CC(=O)OC 1565361 171162868 /nfs/dbraw/zinc/16/28/68/171162868.db2.gz UQRQXBZUSCNTDJ-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN CN(C)c1ccc(C#N)c2ccccc12 2548554 171163579 /nfs/dbraw/zinc/16/35/79/171163579.db2.gz GQDLLSLZYHAFOX-UHFFFAOYSA-N 0 0 196.253 2.777 10 30 AFEERN C#CC(=O)CCCCCCC 102990825 171163826 /nfs/dbraw/zinc/16/38/26/171163826.db2.gz UWEKKSOZSXKQOQ-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN CCCCCCCCC(=O)N(C)C 2042272 171163972 /nfs/dbraw/zinc/16/39/72/171163972.db2.gz DMLHJLWUADABON-UHFFFAOYSA-N 0 0 185.311 2.825 10 30 AFEERN CCCCCC=C=CC(=O)CC 102988327 171163974 /nfs/dbraw/zinc/16/39/74/171163974.db2.gz ACWSFNKGFMESBC-UHFFFAOYSA-N 0 0 166.264 2.939 10 30 AFEERN C=C[C@@](C)(O)CCCCCC 5820505 171164960 /nfs/dbraw/zinc/16/49/60/171164960.db2.gz CXFWZMIYAODOSX-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN CCCCCCCC(=O)COC 106880202 171165016 /nfs/dbraw/zinc/16/50/16/171165016.db2.gz GLDAMPBWQGDRLN-UHFFFAOYSA-N 0 0 172.268 2.562 10 30 AFEERN CC(C)c1cccc(OCCC=O)c1 11569661 171167101 /nfs/dbraw/zinc/16/71/01/171167101.db2.gz PMSHOSWKPLNDMH-UHFFFAOYSA-N 0 0 192.258 2.778 10 30 AFEERN N#Cc1ccc2[nH]c3cnccc3c2c1 13535827 171167133 /nfs/dbraw/zinc/16/71/33/171167133.db2.gz HYOYTXXNDDYLMC-UHFFFAOYSA-N 0 0 193.209 2.588 10 30 AFEERN CC(C)c1ccccc1OCCC=O 11569660 171167148 /nfs/dbraw/zinc/16/71/48/171167148.db2.gz WGRNVSDAXJWCRU-UHFFFAOYSA-N 0 0 192.258 2.778 10 30 AFEERN O=C(/C=C\c1ccc[nH]1)c1ccccc1 17212282 171167560 /nfs/dbraw/zinc/16/75/60/171167560.db2.gz IROAIBYOOAEFGE-HJWRWDBZSA-N 0 0 197.237 2.911 10 30 AFEERN C=C(CCO)CCC=C(C)C 14592334 171167705 /nfs/dbraw/zinc/16/77/05/171167705.db2.gz LPYYZHAEKPCIHA-UHFFFAOYSA-N 0 0 154.253 2.671 10 30 AFEERN N#CCCCSc1ccccc1N 19433890 171168004 /nfs/dbraw/zinc/16/80/04/171168004.db2.gz USLURRIIZBUMBL-UHFFFAOYSA-N 0 0 192.287 2.665 10 30 AFEERN N#CCCCOC1CCCCC1 19440410 171168031 /nfs/dbraw/zinc/16/80/31/171168031.db2.gz PMTZZJHJCBFHEE-UHFFFAOYSA-N 0 0 167.252 2.639 10 30 AFEERN N#CCCOCc1ccccc1Cl 19510840 171168070 /nfs/dbraw/zinc/16/80/70/171168070.db2.gz BEJDGXSLKQJHOG-UHFFFAOYSA-N 0 0 195.649 2.770 10 30 AFEERN CC(C)c1cccc(OC[C@@H]2CO2)c1 19514963 171168079 /nfs/dbraw/zinc/16/80/79/171168079.db2.gz QXZRQBKRDAWMJD-GFCCVEGCSA-N 0 0 192.258 2.588 10 30 AFEERN Cc1ccccc1OCCCC#N 19504754 171168244 /nfs/dbraw/zinc/16/82/44/171168244.db2.gz XWEJKMMGCAAVKS-UHFFFAOYSA-N 0 0 175.231 2.678 10 30 AFEERN Cc1ccccc1[C@H](C)NCCC#N 20199767 171168712 /nfs/dbraw/zinc/16/87/12/171168712.db2.gz ASGQNQDXWMWGHP-NSHDSACASA-N 0 0 188.274 2.559 10 30 AFEERN N#Cc1ccccc1Nc1cccnc1 20076150 171169140 /nfs/dbraw/zinc/16/91/40/171169140.db2.gz DHAVATDFMRBBSI-UHFFFAOYSA-N 0 0 195.225 2.697 10 30 AFEERN Cc1ccc2[nH]cc(CCC#N)c2c1 82588060 171173283 /nfs/dbraw/zinc/17/32/83/171173283.db2.gz YDASLGMVNGTFMO-UHFFFAOYSA-N 0 0 184.242 2.933 10 30 AFEERN C=CCCCCC[C@H](C)O 38362862 171173810 /nfs/dbraw/zinc/17/38/10/171173810.db2.gz VMDNDMBRUXRQCH-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN C=CCCCC(=O)CCC 38292402 171174012 /nfs/dbraw/zinc/17/40/12/171174012.db2.gz FMNAXAISJAGCLV-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN C=CCCCCC[C@@H](C)O 38362863 171174088 /nfs/dbraw/zinc/17/40/88/171174088.db2.gz VMDNDMBRUXRQCH-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN CCCC#Cc1cccs1 38292469 171174343 /nfs/dbraw/zinc/17/43/43/171174343.db2.gz MMDWHPHICBPCGZ-UHFFFAOYSA-N 0 0 150.246 2.900 10 30 AFEERN C=CCCCC(=O)C(C)C 38759441 171174874 /nfs/dbraw/zinc/17/48/74/171174874.db2.gz KLFROKDWFAMUPS-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCCCCC(=O)C(C)C 38759787 171174890 /nfs/dbraw/zinc/17/48/90/171174890.db2.gz IVVUJASDVUMJGS-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=CCOC(=O)/C=C/CCCCC 38647596 171174917 /nfs/dbraw/zinc/17/49/17/171174917.db2.gz ZXSSSENGZAYAMP-CMDGGOBGSA-N 0 0 182.263 2.852 10 30 AFEERN C#Cc1cccc(OC)c1C(C)C 39104797 171175441 /nfs/dbraw/zinc/17/54/41/171175441.db2.gz BFOYRBQMVSCGFS-UHFFFAOYSA-N 0 0 174.243 2.800 10 30 AFEERN CC(C)(C)C#Cc1ccco1 39049629 171175916 /nfs/dbraw/zinc/17/59/16/171175916.db2.gz CTWMFVWKLUDPNR-UHFFFAOYSA-N 0 0 148.205 2.677 10 30 AFEERN C=C[C@@](C)(CCC)C(C)=O 39069024 171176285 /nfs/dbraw/zinc/17/62/85/171176285.db2.gz OJWHHZPLGDKUSM-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)[C@@H](C)CCC(C)=O 39069047 171176341 /nfs/dbraw/zinc/17/63/41/171176341.db2.gz BDUFMAYMJLDPIH-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN CCC#Cc1ccc(CC)o1 39049719 171177230 /nfs/dbraw/zinc/17/72/30/171177230.db2.gz XMDBUZMJQDBUOX-UHFFFAOYSA-N 0 0 148.205 2.604 10 30 AFEERN C=C(C)C#Cc1cccs1 39049652 171177625 /nfs/dbraw/zinc/17/76/25/171177625.db2.gz SFXZIMBARIIKRN-UHFFFAOYSA-N 0 0 148.230 2.676 10 30 AFEERN Cc1ccc2[nH]cc(C#N)c2c1C 83271494 171180135 /nfs/dbraw/zinc/18/01/35/171180135.db2.gz JBVJFIDBQGZOOP-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN Cc1ccc2[nH]c(C#N)c(C)c2c1 83271489 171180324 /nfs/dbraw/zinc/18/03/24/171180324.db2.gz BIVWJNXWHJTNEJ-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN N#Cc1ccc2c(c1)SCCC2 83272402 171180477 /nfs/dbraw/zinc/18/04/77/171180477.db2.gz PDFROHLRCQEAHZ-UHFFFAOYSA-N 0 0 175.256 2.597 10 30 AFEERN N#Cc1nsc2ccc(Cl)cc12 83279878 171180794 /nfs/dbraw/zinc/18/07/94/171180794.db2.gz KEESJEGTNSEPQH-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN CCOC(=O)C[C@@H](C#N)C(CC)CC 21988597 171181692 /nfs/dbraw/zinc/18/16/92/171181692.db2.gz MPDSXSGAQJSEAF-JTQLQIEISA-N 0 0 197.278 2.516 10 30 AFEERN Cc1ccc(C#Cc2cccnc2)cc1 22010235 171181798 /nfs/dbraw/zinc/18/17/98/171181798.db2.gz CKDROIPOXMERQX-UHFFFAOYSA-N 0 0 193.249 2.790 10 30 AFEERN Cc1ccc(C#Cc2ccncc2)cc1 5330705 171183038 /nfs/dbraw/zinc/18/30/38/171183038.db2.gz KQURJNNHHQTUIX-UHFFFAOYSA-N 0 0 193.249 2.790 10 30 AFEERN N#CC/C=C/c1ccc(F)cc1 83593232 171183152 /nfs/dbraw/zinc/18/31/52/171183152.db2.gz BKDAEXXOGAJEGU-HNQUOIGGSA-N 0 0 161.179 2.753 10 30 AFEERN COc1ccccc1[C@@H](C=O)C(C)C 32008546 171183621 /nfs/dbraw/zinc/18/36/21/171183621.db2.gz CAVRLGYMSDTLOW-NSHDSACASA-N 0 0 192.258 2.634 10 30 AFEERN C=C(C)C(=C)COc1cccnc1 39089925 171183696 /nfs/dbraw/zinc/18/36/96/171183696.db2.gz DMAUVFJMKZARPR-UHFFFAOYSA-N 0 0 175.231 2.593 10 30 AFEERN N#C[C@H](Nc1ccccc1)c1ccoc1 29057590 171183707 /nfs/dbraw/zinc/18/37/07/171183707.db2.gz SGPSPSXJZYPPAA-LBPRGKRZSA-N 0 0 198.225 2.956 10 30 AFEERN N#C[C@@H](Nc1ccccc1)c1ccoc1 29057586 171184010 /nfs/dbraw/zinc/18/40/10/171184010.db2.gz SGPSPSXJZYPPAA-GFCCVEGCSA-N 0 0 198.225 2.956 10 30 AFEERN C=CCCCC(=O)c1ccco1 32302480 171184351 /nfs/dbraw/zinc/18/43/51/171184351.db2.gz AFTUQMXNVYPAJO-UHFFFAOYSA-N 0 0 164.204 2.819 10 30 AFEERN O=C(/C=C\c1ccccc1)c1ccc[nH]1 33745823 171184517 /nfs/dbraw/zinc/18/45/17/171184517.db2.gz GLNFFMZPELBRRR-HJWRWDBZSA-N 0 0 197.237 2.911 10 30 AFEERN C=CCCCC(=O)C(C)(C)C 34060493 171184805 /nfs/dbraw/zinc/18/48/05/171184805.db2.gz PIILHJPPYAOSQN-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=CCCC(=O)c1cccc(F)c1 34519097 171184922 /nfs/dbraw/zinc/18/49/22/171184922.db2.gz YUDMTWJZDGNVDZ-UHFFFAOYSA-N 0 0 178.206 2.975 10 30 AFEERN C#Cc1cccc(NCc2ccoc2)c1 34017043 171184988 /nfs/dbraw/zinc/18/49/88/171184988.db2.gz MAVYXGPQFNANEI-UHFFFAOYSA-N 0 0 197.237 2.873 10 30 AFEERN O=C(/C=C\c1ccco1)c1ccc[nH]1 96241067 171185907 /nfs/dbraw/zinc/18/59/07/171185907.db2.gz JXGIDPRCYAENDG-WAYWQWQTSA-N 0 0 187.198 2.504 10 30 AFEERN C#CCCCn1c(C)nc2ccccc21 95921941 171186071 /nfs/dbraw/zinc/18/60/71/171186071.db2.gz HCEMPSNLHFSJTI-UHFFFAOYSA-N 0 0 198.269 2.758 10 30 AFEERN C#C[C@@H](O)/C=C/CCCCCC 96914849 171186139 /nfs/dbraw/zinc/18/61/39/171186139.db2.gz XSEMXLZWKDTMJS-PBQZMEPESA-N 0 0 166.264 2.507 10 30 AFEERN CCC#Cc1cccs1 39049172 171187209 /nfs/dbraw/zinc/18/72/09/171187209.db2.gz OXIKBEQWLMURSJ-UHFFFAOYSA-N 0 0 136.219 2.510 10 30 AFEERN C=C[C@](C)(CCC)C(C)=O 39069023 171188637 /nfs/dbraw/zinc/18/86/37/171188637.db2.gz OJWHHZPLGDKUSM-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN C#C[C@@H](C)Nc1cccc(OCC)c1 39271017 171188759 /nfs/dbraw/zinc/18/87/59/171188759.db2.gz CJOXOXFIZICKQQ-SNVBAGLBSA-N 0 0 189.258 2.519 10 30 AFEERN C=C(C)CC(=O)C(C)(C)C 39271485 171188788 /nfs/dbraw/zinc/18/87/88/171188788.db2.gz ABRVUJHLVSXGLA-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C#C[C@@H](C)Nc1ccc(OCC)cc1 39271019 171188851 /nfs/dbraw/zinc/18/88/51/171188851.db2.gz NDVLDYXJSDCGCN-SNVBAGLBSA-N 0 0 189.258 2.519 10 30 AFEERN C=C(Br)Cc1ccccn1 43209581 171189592 /nfs/dbraw/zinc/18/95/92/171189592.db2.gz MNZOZLXGFSXGHH-UHFFFAOYSA-N 0 0 198.063 2.533 10 30 AFEERN C=Cc1[nH]c2ccccc2c1CC#N 32297365 171190479 /nfs/dbraw/zinc/19/04/79/171190479.db2.gz XVFXRPMBSBRKGC-UHFFFAOYSA-N 0 0 182.226 2.877 10 30 AFEERN CC#CCC(=O)c1ccc(C)c(F)c1 51664577 171192287 /nfs/dbraw/zinc/19/22/87/171192287.db2.gz PBZOHTDOTODZRK-UHFFFAOYSA-N 0 0 190.217 2.730 10 30 AFEERN C=C(C)CNc1cccc(C#N)c1 49136908 171192875 /nfs/dbraw/zinc/19/28/75/171192875.db2.gz DJULMJQQYRMVNH-UHFFFAOYSA-N 0 0 172.231 2.546 10 30 AFEERN CC#CCSc1ccc(N)cc1C 51663944 171193112 /nfs/dbraw/zinc/19/31/12/171193112.db2.gz BEWIUWNXPWRKNG-UHFFFAOYSA-N 0 0 191.299 2.693 10 30 AFEERN CC#CC[C@@H]1CCCCCC1=O 51664271 171193139 /nfs/dbraw/zinc/19/31/39/171193139.db2.gz WQJBYBGACLYRGC-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN CC#CCC(=O)c1cccc(Cl)c1 51664529 171193198 /nfs/dbraw/zinc/19/31/98/171193198.db2.gz YGESUXPHBWAGFD-UHFFFAOYSA-N 0 0 192.645 2.936 10 30 AFEERN CC#CC[C@@H]1C[C@H](CC)CC[C@@H]1O 51666249 171193213 /nfs/dbraw/zinc/19/32/13/171193213.db2.gz OZYGLRGNDBRSBJ-UTUOFQBUSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CCC(=O)[C@H]1CCC[C@@H](C)C1 51664638 171193246 /nfs/dbraw/zinc/19/32/46/171193246.db2.gz GQDXJJCGYHHJAB-MNOVXSKESA-N 0 0 178.275 2.795 10 30 AFEERN CC#CCNc1ccc2c(c1)CCC2 51662932 171193265 /nfs/dbraw/zinc/19/32/65/171193265.db2.gz GZBBMWFXXIHUNJ-UHFFFAOYSA-N 0 0 185.270 2.611 10 30 AFEERN CC#CCC(=O)Cc1cccc(C)c1 51664624 171193275 /nfs/dbraw/zinc/19/32/75/171193275.db2.gz NNLFIWIZTXCELO-UHFFFAOYSA-N 0 0 186.254 2.520 10 30 AFEERN CC#CCNc1cc(F)ccc1C 51663008 171193315 /nfs/dbraw/zinc/19/33/15/171193315.db2.gz FMDZYMRCXVHFOF-UHFFFAOYSA-N 0 0 177.222 2.569 10 30 AFEERN CC#CCC(=O)[C@H]1CCC[C@H](C)C1 51664634 171193352 /nfs/dbraw/zinc/19/33/52/171193352.db2.gz GQDXJJCGYHHJAB-QWRGUYRKSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CC[C@@H]1CCc2ccccc2C1=O 51664263 171193386 /nfs/dbraw/zinc/19/33/86/171193386.db2.gz QBXFJAFPNICBKH-GFCCVEGCSA-N 0 0 198.265 2.845 10 30 AFEERN CC#CCC(=O)c1ccc(F)c(F)c1 51664544 171193497 /nfs/dbraw/zinc/19/34/97/171193497.db2.gz OWGFNGLFOMGWSA-UHFFFAOYSA-N 0 0 194.180 2.561 10 30 AFEERN CC#CCSc1ccc(C)cc1N 51663943 171193549 /nfs/dbraw/zinc/19/35/49/171193549.db2.gz DNGSUSOMWQCVNM-UHFFFAOYSA-N 0 0 191.299 2.693 10 30 AFEERN CC#CC[C@@H]1C[C@H](CCC)CC[C@@H]1O 51666257 171193758 /nfs/dbraw/zinc/19/37/58/171193758.db2.gz KISAQZHMJVGKAX-UPJWGTAASA-N 0 0 194.318 2.977 10 30 AFEERN CC#CCNc1ccc(F)cc1C 51663025 171193763 /nfs/dbraw/zinc/19/37/63/171193763.db2.gz GOLWUJUPEIYDMB-UHFFFAOYSA-N 0 0 177.222 2.569 10 30 AFEERN CC#CC[C@@H](O)c1ccccc1Cl 51664900 171193839 /nfs/dbraw/zinc/19/38/39/171193839.db2.gz VNDAOUIETYJIMX-LLVKDONJSA-N 0 0 194.661 2.787 10 30 AFEERN CC#CCC(=O)c1ccccc1Cl 51664643 171193856 /nfs/dbraw/zinc/19/38/56/171193856.db2.gz CHVQDTMFEAWDHV-UHFFFAOYSA-N 0 0 192.645 2.936 10 30 AFEERN CC#CC[C@@H](O)c1ccc(F)c(C)c1 51664803 171193857 /nfs/dbraw/zinc/19/38/57/171193857.db2.gz GRGKCTOCEDSKAL-GFCCVEGCSA-N 0 0 192.233 2.581 10 30 AFEERN CC#CCC(=O)c1cccc(C)c1 51664572 171193860 /nfs/dbraw/zinc/19/38/60/171193860.db2.gz VQSJWCVXGKSGDZ-UHFFFAOYSA-N 0 0 172.227 2.591 10 30 AFEERN CC#CC[C@@H]1C[C@@H](CC)CCC1=O 51664283 171193867 /nfs/dbraw/zinc/19/38/67/171193867.db2.gz QTUXAHFYDOOCQD-WDEREUQCSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CCC(=O)c1ccc(F)c(C)c1 51664593 171193935 /nfs/dbraw/zinc/19/39/35/171193935.db2.gz ONLAKXLEDCHAIE-UHFFFAOYSA-N 0 0 190.217 2.730 10 30 AFEERN CC#CC[C@@H]1C[C@@H](CC)CC[C@@H]1O 51666251 171193965 /nfs/dbraw/zinc/19/39/65/171193965.db2.gz OZYGLRGNDBRSBJ-TUAOUCFPSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CCC(=O)C1CCCCC1 51664579 171194056 /nfs/dbraw/zinc/19/40/56/171194056.db2.gz HFUHZHCDEIZONA-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN CC#CCNc1cccc(OCC)c1 51663611 171194156 /nfs/dbraw/zinc/19/41/56/171194156.db2.gz GTPKSTNPXOAEEO-UHFFFAOYSA-N 0 0 189.258 2.521 10 30 AFEERN CC#CCC(=O)Cc1ccc(C)cc1 51752703 171194177 /nfs/dbraw/zinc/19/41/77/171194177.db2.gz QZJBKRGAKSXLFS-UHFFFAOYSA-N 0 0 186.254 2.520 10 30 AFEERN CC#CCNc1ccc(SC)cc1 51662874 171194290 /nfs/dbraw/zinc/19/42/90/171194290.db2.gz UMGXOQDMOGESRB-UHFFFAOYSA-N 0 0 191.299 2.844 10 30 AFEERN CC#CCSc1ccc(N)cc1F 51663945 171194590 /nfs/dbraw/zinc/19/45/90/171194590.db2.gz YKLXIRQMPHWRLL-UHFFFAOYSA-N 0 0 195.262 2.523 10 30 AFEERN O=C1C=C(c2c[nH]c3ccccc23)CC1 77296248 171195789 /nfs/dbraw/zinc/19/57/89/171195789.db2.gz GXEHNDTWEBUKOS-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN C=CCCC/C=C/C 60218989 171197159 /nfs/dbraw/zinc/19/71/59/171197159.db2.gz RJUCIROUEDJQIB-GQCTYLIASA-N 0 0 110.200 2.919 10 30 AFEERN C=CCCCC[C@H]1C[C@@H](C)OC1=O 95936419 171198209 /nfs/dbraw/zinc/19/82/09/171198209.db2.gz PMODLNGPCAQUDP-ZJUUUORDSA-N 0 0 182.263 2.684 10 30 AFEERN N#Cc1ccc2cccc(Cl)c2n1 62567437 171198217 /nfs/dbraw/zinc/19/82/17/171198217.db2.gz DEULPCXPQZIKQZ-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN N#CCCC[C@@H]1COc2ccccc21 62719620 171198261 /nfs/dbraw/zinc/19/82/61/171198261.db2.gz CDXBYESXBDRANA-SNVBAGLBSA-N 0 0 187.242 2.856 10 30 AFEERN C=CCCCC[C@H]1C[C@H](C)OC1=O 95936420 171198317 /nfs/dbraw/zinc/19/83/17/171198317.db2.gz PMODLNGPCAQUDP-UWVGGRQHSA-N 0 0 182.263 2.684 10 30 AFEERN C#Cc1ccccc1C(C)C 62605395 171198370 /nfs/dbraw/zinc/19/83/70/171198370.db2.gz WHDJBWFKMSCTKZ-UHFFFAOYSA-N 0 0 144.217 2.791 10 30 AFEERN C=CCCCC[C@@H]1C[C@@H](C)OC1=O 95936421 171198382 /nfs/dbraw/zinc/19/83/82/171198382.db2.gz PMODLNGPCAQUDP-NXEZZACHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCCC[C@@H]1C[C@H](C)OC1=O 95936422 171198442 /nfs/dbraw/zinc/19/84/42/171198442.db2.gz PMODLNGPCAQUDP-VHSXEESVSA-N 0 0 182.263 2.684 10 30 AFEERN CCS/C=C/C#CC1(O)CCCC1 62720393 171198538 /nfs/dbraw/zinc/19/85/38/171198538.db2.gz KVPQXZGHQYNJGR-UXBLZVDNSA-N 0 0 196.315 2.562 10 30 AFEERN N#CCCC[C@H]1COc2ccccc21 62719621 171198579 /nfs/dbraw/zinc/19/85/79/171198579.db2.gz CDXBYESXBDRANA-JTQLQIEISA-N 0 0 187.242 2.856 10 30 AFEERN C=C(C)[C@@H]1CC=C[C@H](OC(=O)CC)C1 96341955 171198893 /nfs/dbraw/zinc/19/88/93/171198893.db2.gz SVZZHKOCCFOVSY-MNOVXSKESA-N 0 0 194.274 2.851 10 30 AFEERN N#CCC(=O)c1ccc(Cl)c(F)c1 96330804 171199419 /nfs/dbraw/zinc/19/94/19/171199419.db2.gz XGQSPQDQOKUKRN-UHFFFAOYSA-N 0 0 197.596 2.575 10 30 AFEERN C=C(Br)Cc1ccco1 96543356 171199505 /nfs/dbraw/zinc/19/95/05/171199505.db2.gz AHQJNAPQGSTKRR-UHFFFAOYSA-N 0 0 187.036 2.731 10 30 AFEERN CC(C)C(=O)/C=C/c1ccccc1O 66252454 171200306 /nfs/dbraw/zinc/20/03/06/171200306.db2.gz UDADFGGJNXJEEN-BQYQJAHWSA-N 0 0 190.242 2.631 10 30 AFEERN C=C(CO)[C@H](C)CC(C)(C)C 6036130 171205370 /nfs/dbraw/zinc/20/53/70/171205370.db2.gz XSBHPGJXCJMNNT-MRVPVSSYSA-N 0 0 156.269 2.607 10 30 AFEERN Cc1ccc(C#Cc2ccco2)cc1 6788085 171205452 /nfs/dbraw/zinc/20/54/52/171205452.db2.gz BZZBSSICQMBWBX-UHFFFAOYSA-N 0 0 182.222 2.988 10 30 AFEERN C=C(CO)[C@@H](C)CC(C)(C)C 6020390 171205470 /nfs/dbraw/zinc/20/54/70/171205470.db2.gz XSBHPGJXCJMNNT-QMMMGPOBSA-N 0 0 156.269 2.607 10 30 AFEERN CC#CC[C@@]1(C)CCC[C@@H](C)C1=O 104843232 171205756 /nfs/dbraw/zinc/20/57/56/171205756.db2.gz AIFMESQWOARHIX-PWSUYJOCSA-N 0 0 178.275 2.795 10 30 AFEERN C#C/C=C/[C@@]1(C)O[C@H]1c1ccccc1 104836458 171205833 /nfs/dbraw/zinc/20/58/33/171205833.db2.gz SOQYRGKXDPDFKT-MHQKNSOOSA-N 0 0 184.238 2.706 10 30 AFEERN C=C(C)[C@@H]1CCC(C)(C)C(=O)C1 104843081 171205958 /nfs/dbraw/zinc/20/59/58/171205958.db2.gz LYQLSAZMYDEZEP-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C#C/C=C/[C@@]1(C)O[C@@H]1c1ccccc1 104836462 171205981 /nfs/dbraw/zinc/20/59/81/171205981.db2.gz SOQYRGKXDPDFKT-YVGJYECESA-N 0 0 184.238 2.706 10 30 AFEERN C=C(C)[C@@H](O)/C=C/c1ccc(C)cc1 7992205 171206162 /nfs/dbraw/zinc/20/61/62/171206162.db2.gz WEVCHXQJLPJWKZ-XEHSLEBBSA-N 0 0 188.270 2.945 10 30 AFEERN C=C(C)CC#CC1(O)CCCCC1 104839031 171206166 /nfs/dbraw/zinc/20/61/66/171206166.db2.gz KSDGXYCEOMLYEY-UHFFFAOYSA-N 0 0 178.275 2.651 10 30 AFEERN C#C/C=C/[C@]1(C)O[C@H]1c1ccccc1 104836455 171206243 /nfs/dbraw/zinc/20/62/43/171206243.db2.gz SOQYRGKXDPDFKT-HSGAWUPJSA-N 0 0 184.238 2.706 10 30 AFEERN C=C[C@@]1(C)CC(=O)c2c(C)coc2C1 104837213 171206323 /nfs/dbraw/zinc/20/63/23/171206323.db2.gz VDXZDDRBYOWKSI-LBPRGKRZSA-N 0 0 190.242 2.909 10 30 AFEERN CC#CC[C@@]1(C)CCC[C@H](C)C1=O 104843225 171206331 /nfs/dbraw/zinc/20/63/31/171206331.db2.gz AIFMESQWOARHIX-JQWIXIFHSA-N 0 0 178.275 2.795 10 30 AFEERN C#C/C=C/[C@]1(C)O[C@@H]1c1ccccc1 104836460 171206340 /nfs/dbraw/zinc/20/63/40/171206340.db2.gz SOQYRGKXDPDFKT-NDOSXNEKSA-N 0 0 184.238 2.706 10 30 AFEERN C=CCCCCC(=O)CC 14614433 171206926 /nfs/dbraw/zinc/20/69/26/171206926.db2.gz URHJFGWIPKNQFW-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 endogenous,in-man AFEERN CC(C)(C)C(=O)C#Cc1ccccc1 1723674 171207470 /nfs/dbraw/zinc/20/74/70/171207470.db2.gz QXGIWMOPVOXYCX-UHFFFAOYSA-N 0 0 186.254 2.653 10 30 AFEERN C=C[C@@](C)(O)CCCC(=C)C 1846005 171207785 /nfs/dbraw/zinc/20/77/85/171207785.db2.gz GYJHTGZQPKPEOT-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN C=C(C)CC(=O)CC(C)C 2018409 171207867 /nfs/dbraw/zinc/20/78/67/171207867.db2.gz UGCUIZGVVHHZJB-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@@H](C)C(C)(C)C 2169062 171208007 /nfs/dbraw/zinc/20/80/07/171208007.db2.gz BOPVNOMJIDZBQB-SSDOTTSWSA-N 0 0 112.216 2.855 10 30 AFEERN C=C(C)C#C[C@](C)(O)CCC(C)C 2390343 171208077 /nfs/dbraw/zinc/20/80/77/171208077.db2.gz PJHQIDULUZCWAP-LBPRGKRZSA-N 0 0 180.291 2.753 10 30 AFEERN C=C(COC(C)=O)[C@@H]1CC=C(C)CC1 1850635 171208190 /nfs/dbraw/zinc/20/81/90/171208190.db2.gz BCTDJPZNMXPMIA-GFCCVEGCSA-N 0 0 194.274 2.852 10 30 endogenous,in-man AFEERN C=C(COC(C)=O)[C@H]1CC=C(C)CC1 1850636 171208237 /nfs/dbraw/zinc/20/82/37/171208237.db2.gz BCTDJPZNMXPMIA-LBPRGKRZSA-N 0 0 194.274 2.852 10 30 endogenous,in-man AFEERN C=C[C@@](C)(O)CCCCC 2014865 171208243 /nfs/dbraw/zinc/20/82/43/171208243.db2.gz DRKRLMZMGTWUSQ-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN C#Cc1cccc(N[C@H](C)CC)c1 19877013 171211410 /nfs/dbraw/zinc/21/14/10/171211410.db2.gz OFMMISMGCCQSKF-SNVBAGLBSA-N 0 0 173.259 2.878 10 30 AFEERN C#Cc1cccc(N[C@@H](C)CC)c1 19877014 171211534 /nfs/dbraw/zinc/21/15/34/171211534.db2.gz OFMMISMGCCQSKF-JTQLQIEISA-N 0 0 173.259 2.878 10 30 AFEERN C=C[C@H]1OCc2ccccc2C1=C 21990733 171212006 /nfs/dbraw/zinc/21/20/06/171212006.db2.gz VLXPAOHSIIIWNV-GFCCVEGCSA-N 0 0 172.227 2.785 10 30 AFEERN CC(C)(C)C#CC(=O)c1ccccc1 22004610 171212070 /nfs/dbraw/zinc/21/20/70/171212070.db2.gz JKMPVFBNTHUBPK-UHFFFAOYSA-N 0 0 186.254 2.919 10 30 AFEERN C=CCCC(=O)CC(C)C 34189365 171212589 /nfs/dbraw/zinc/21/25/89/171212589.db2.gz HWLPNLZRMCBRAY-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN CCCC=C=CC(=O)CC(C)C 114161745 171212825 /nfs/dbraw/zinc/21/28/25/171212825.db2.gz VTFJUBNBAXMEKQ-UHFFFAOYSA-N 0 0 166.264 2.795 10 30 AFEERN C=CCCC(=O)CCC(C)C 34592644 171212887 /nfs/dbraw/zinc/21/28/87/171212887.db2.gz DSEHQDJMNWGZGU-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN N#CCCSC1CCCCC1 2455566 171213083 /nfs/dbraw/zinc/21/30/83/171213083.db2.gz FBYOMRVKPJDZKX-UHFFFAOYSA-N 0 0 169.293 2.966 10 30 AFEERN C=C(c1ncnc2[nH]ccc12)C(C)C 35993899 171213160 /nfs/dbraw/zinc/21/31/60/171213160.db2.gz CKIFLZBNHIELTM-UHFFFAOYSA-N 0 0 187.246 2.627 10 30 AFEERN N#CCC(CC#N)c1ccc(F)cc1 39375602 171078677 /nfs/dbraw/zinc/07/86/77/171078677.db2.gz XHLODBNPRXHRSJ-UHFFFAOYSA-N 0 0 188.205 2.737 10 30 AFEERN C=CC(=O)C=C1CCCCC1 39393207 171078680 /nfs/dbraw/zinc/07/86/80/171078680.db2.gz BYNGCOYMHJLARI-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(C)C(=O)/C=C/c1ccco1 39391837 171078782 /nfs/dbraw/zinc/07/87/82/171078782.db2.gz VYMFKEHZNHXQIN-AATRIKPKSA-N 0 0 164.204 2.518 10 30 AFEERN N#C[C@@H](Cc1ccc[nH]1)c1ccccc1 169329390 171213873 /nfs/dbraw/zinc/21/38/73/171213873.db2.gz CKLUUAOHJNZYIP-GFCCVEGCSA-N 0 0 196.253 2.865 10 30 AFEERN CC(C)=CC(=O)c1coc(C)c1 14684948 171215763 /nfs/dbraw/zinc/21/57/63/171215763.db2.gz WHHCRTQLINGYSY-UHFFFAOYSA-N 0 0 164.204 2.737 10 30 biogenic AFEERN CC(C)=CCC/C(C)=N\O 100532761 171215774 /nfs/dbraw/zinc/21/57/74/171215774.db2.gz UUTIAUFCXVFAOM-HJWRWDBZSA-N 0 0 141.214 2.583 10 30 AFEERN SCCSc1ccccc1 26509739 171215899 /nfs/dbraw/zinc/21/58/99/171215899.db2.gz HABQRYRMGGTZFS-UHFFFAOYSA-N 0 0 170.302 2.709 10 30 AFEERN CC#CCCC(=O)c1ccccc1 33961507 171216968 /nfs/dbraw/zinc/21/69/68/171216968.db2.gz KDMUYVQXLBQBFM-UHFFFAOYSA-N 0 0 172.227 2.673 10 30 AFEERN CCC#Cc1cc(C(C)=O)c(C)o1 196080744 171218871 /nfs/dbraw/zinc/21/88/71/171218871.db2.gz DSJMERKWHFBYEF-UHFFFAOYSA-N 0 0 176.215 2.552 10 30 AFEERN C=CC(=O)CCCc1ccc(C)o1 196550371 171218881 /nfs/dbraw/zinc/21/88/81/171218881.db2.gz CVUJLLVUNJFYKJ-UHFFFAOYSA-N 0 0 178.231 2.666 10 30 AFEERN CC(C)C(=NO)c1ccccc1 252423470 171219549 /nfs/dbraw/zinc/21/95/49/171219549.db2.gz XGGRPWHGTGIDPM-UHFFFAOYSA-N 0 0 163.220 2.521 10 30 AFEERN C/C=C(/C(C)=NO)c1ccccc1 257352302 171220187 /nfs/dbraw/zinc/22/01/87/171220187.db2.gz KHJVFWLAELGGJA-KPDHMRMMSA-N 0 0 175.231 2.940 10 30 AFEERN O=C(/C=C/c1ccccn1)c1ccco1 3929782 171221190 /nfs/dbraw/zinc/22/11/90/171221190.db2.gz MZNSPBQAXMYNKW-VOTSOKGWSA-N 0 0 199.209 2.571 10 30 AFEERN Cc1ccc2[nH]c(CC#N)cc2c1 1732267 171221313 /nfs/dbraw/zinc/22/13/13/171221313.db2.gz PINLIEOJKBJVIF-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN C=C[C@@](C)(CC=C(C)C)C(=O)OC 5158899 171221661 /nfs/dbraw/zinc/22/16/61/171221661.db2.gz XMOTZXPRFDJZPA-NSHDSACASA-N 0 0 182.263 2.708 10 30 AFEERN C=CC(=C)CC[C@@H]1OC1(C)C 5762677 171221727 /nfs/dbraw/zinc/22/17/27/171221727.db2.gz DQGZGGZXMOFHLB-VIFPVBQESA-N 0 0 152.237 2.686 10 30 AFEERN C=C[C@](C)(CC=C(C)C)C(=O)OC 5158862 171221850 /nfs/dbraw/zinc/22/18/50/171221850.db2.gz XMOTZXPRFDJZPA-LLVKDONJSA-N 0 0 182.263 2.708 10 30 AFEERN C=CC(=C)CC[C@H]1OC1(C)C 5765551 171221895 /nfs/dbraw/zinc/22/18/95/171221895.db2.gz DQGZGGZXMOFHLB-SECBINFHSA-N 0 0 152.237 2.686 10 30 biogenic,in-vitro AFEERN CC(=O)/C=C/c1ccc(N)cc1Cl 83254992 171223187 /nfs/dbraw/zinc/22/31/87/171223187.db2.gz CTDPEYSKXNLHMM-NSCUHMNNSA-N 0 0 195.649 2.524 10 30 AFEERN CC(=O)/C=C/c1ccc(Cl)c(N)c1 83254984 171223202 /nfs/dbraw/zinc/22/32/02/171223202.db2.gz UFAQYFFFDBGJDY-NSCUHMNNSA-N 0 0 195.649 2.524 10 30 AFEERN CC(=O)/C=C/c1cc(N)ccc1Cl 83254990 171223244 /nfs/dbraw/zinc/22/32/44/171223244.db2.gz QJFRZUSUJSXRSI-NSCUHMNNSA-N 0 0 195.649 2.524 10 30 AFEERN C=C(C)[C@@H](O)[C@@H](C)c1ccccc1 86020262 171223464 /nfs/dbraw/zinc/22/34/64/171223464.db2.gz PDIUSCOUFAVFTC-CMPLNLGQSA-N 0 0 176.259 2.727 10 30 AFEERN C#Cc1cccc2sccc12 89195301 171224092 /nfs/dbraw/zinc/22/40/92/171224092.db2.gz QNIPYSRYYARLNY-UHFFFAOYSA-N 0 0 158.225 2.883 10 30 AFEERN CC(=O)/C=C/c1cnc2ccccc2c1 90756175 171224862 /nfs/dbraw/zinc/22/48/62/171224862.db2.gz PECQMBYMPKIUNA-VOTSOKGWSA-N 0 0 197.237 2.837 10 30 AFEERN CC(C)/C=C\C(=O)c1ccoc1 111486410 171225471 /nfs/dbraw/zinc/22/54/71/171225471.db2.gz XEYCZVQIOJGCNL-ARJAWSKDSA-N 0 0 164.204 2.675 10 30 AFEERN C=C[C@@]1(C)CC[C@@H](C(C)C)O1 104846226 171225501 /nfs/dbraw/zinc/22/55/01/171225501.db2.gz GPVKUNYYWAKDRY-UWVGGRQHSA-N 0 0 154.253 2.766 10 30 AFEERN C=C[C@@]1(C)CC[C@H](C(C)C)O1 104846230 171225738 /nfs/dbraw/zinc/22/57/38/171225738.db2.gz GPVKUNYYWAKDRY-ZJUUUORDSA-N 0 0 154.253 2.766 10 30 AFEERN C=CC#Cc1cc2ccccc2[nH]1 34638650 171226124 /nfs/dbraw/zinc/22/61/24/171226124.db2.gz KYGBYSYZILUWLC-UHFFFAOYSA-N 0 0 167.211 2.705 10 30 AFEERN N#Cc1ccc2c(ccn2C2CC2)c1 34843305 171226531 /nfs/dbraw/zinc/22/65/31/171226531.db2.gz PNVRXYWRGGJUTM-UHFFFAOYSA-N 0 0 182.226 2.848 10 30 AFEERN CC1(C)CCCC2=CC(=O)C[C@H]21 149585682 344068110 /nfs/dbraw/zinc/06/81/10/344068110.db2.gz YWMIGFGRCNWQPL-SNVBAGLBSA-N 0 0 164.248 2.712 10 30 AFEERN CC1(C)CCCC2=CC(=O)C[C@@H]21 149585864 344068155 /nfs/dbraw/zinc/06/81/55/344068155.db2.gz YWMIGFGRCNWQPL-JTQLQIEISA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc2[nH]c(C(=O)CC#N)cc2c1 150019095 344075605 /nfs/dbraw/zinc/07/56/05/344075605.db2.gz UOKIHYDDGJYIOF-UHFFFAOYSA-N 0 0 198.225 2.573 10 30 AFEERN C=C(C)CC(=O)c1cc(F)ccc1N 150031246 344075655 /nfs/dbraw/zinc/07/56/55/344075655.db2.gz GZGUDVWWRZQBLT-UHFFFAOYSA-N 0 0 193.221 2.557 10 30 AFEERN CC[C@@](C)(C#N)Cc1cncs1 157048982 344099498 /nfs/dbraw/zinc/09/94/98/344099498.db2.gz PSOYNLQCXWCJDA-SECBINFHSA-N 0 0 180.276 2.625 10 30 AFEERN Fc1cccc(CS)c1Cl 157073444 344100046 /nfs/dbraw/zinc/10/00/46/344100046.db2.gz SJHRLZFTGCMURY-UHFFFAOYSA-N 0 0 176.643 2.909 10 30 AFEERN CC(=O)C=C1C[C@@H](C)C[C@H](C)C1 157306255 344103068 /nfs/dbraw/zinc/10/30/68/344103068.db2.gz GJNWCRPFTSNHMZ-IUCAKERBSA-N 0 0 166.264 2.958 10 30 AFEERN CC12C[C@@H]3C[C@H](C1)CC(C=O)(C3)C2 158823377 344133738 /nfs/dbraw/zinc/13/37/38/344133738.db2.gz BOZHMTCDMWMLGZ-ZYANWLCNSA-N 0 0 178.275 2.792 10 30 AFEERN C=C(C)[C@](C)(O)C1CCCCC1 159326330 344142624 /nfs/dbraw/zinc/14/26/24/344142624.db2.gz NWTVNFBMOSYEIE-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C=C(C)CC[C@@H]1CCCC1=O 159958345 344155495 /nfs/dbraw/zinc/15/54/95/344155495.db2.gz MSNVXILFUJAXDK-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cccc(F)c1NC[C@H](C)C#N 160314039 344162577 /nfs/dbraw/zinc/16/25/77/344162577.db2.gz QMPVBAMYUKPYNV-MRVPVSSYSA-N 0 0 192.237 2.706 10 30 AFEERN C=C(C)CNc1ccc(Cl)cn1 160390646 344164427 /nfs/dbraw/zinc/16/44/27/344164427.db2.gz BQEWJCLVZOHCAF-UHFFFAOYSA-N 0 0 182.654 2.723 10 30 AFEERN C[C@@H]1C[C@]1(C#N)c1cccc(F)c1 160872864 344179482 /nfs/dbraw/zinc/17/94/82/344179482.db2.gz AYVPYDPOFVPMAE-LDYMZIIASA-N 0 0 175.206 2.627 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)c1cccc(F)c1 160872639 344179487 /nfs/dbraw/zinc/17/94/87/344179487.db2.gz AYVPYDPOFVPMAE-KCJUWKMLSA-N 0 0 175.206 2.627 10 30 AFEERN C[C@H]1C[C@@]1(C#N)c1cccc(F)c1 160872762 344179492 /nfs/dbraw/zinc/17/94/92/344179492.db2.gz AYVPYDPOFVPMAE-KWQFWETISA-N 0 0 175.206 2.627 10 30 AFEERN CC#CCCC(=O)c1cccs1 160902963 344180295 /nfs/dbraw/zinc/18/02/95/344180295.db2.gz BNCDCRJXIFBIOR-UHFFFAOYSA-N 0 0 178.256 2.734 10 30 AFEERN CC#CCC[C@H](O)c1ccccc1C 160971670 344182144 /nfs/dbraw/zinc/18/21/44/344182144.db2.gz TXWLINJCAINGLM-ZDUSSCGKSA-N 0 0 188.270 2.832 10 30 AFEERN CC#CCC[C@@H](O)c1ccccc1C 160971786 344182405 /nfs/dbraw/zinc/18/24/05/344182405.db2.gz TXWLINJCAINGLM-CYBMUJFWSA-N 0 0 188.270 2.832 10 30 AFEERN C#CCCC[C@@H]1CCCCCC1=O 160992314 344182606 /nfs/dbraw/zinc/18/26/06/344182606.db2.gz OEKGZHDKMUYSTQ-LLVKDONJSA-N 0 0 178.275 2.939 10 30 AFEERN C#CCC[C@@](C)(O)c1cccc(C)c1 160610523 344171545 /nfs/dbraw/zinc/17/15/45/344171545.db2.gz PUAHHJIZEJCLQS-CYBMUJFWSA-N 0 0 188.270 2.616 10 30 AFEERN C=C(C)C(=O)C1CCC(F)(F)CC1 161114331 344185034 /nfs/dbraw/zinc/18/50/34/344185034.db2.gz JNUJNXLEWCGVIU-UHFFFAOYSA-N 0 0 188.217 2.957 10 30 AFEERN CC(C)=CC(=O)c1cncc(C)c1 161095298 344185040 /nfs/dbraw/zinc/18/50/40/344185040.db2.gz GEDVXVQAGQLVHE-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN CC(C)=CC(=O)c1csc(C)n1 161094929 344185041 /nfs/dbraw/zinc/18/50/41/344185041.db2.gz LFHWSQUQGIGKPK-UHFFFAOYSA-N 0 0 181.260 2.600 10 30 AFEERN N#CC#Cc1c(Cl)cccc1Cl 161208548 344187288 /nfs/dbraw/zinc/18/72/88/344187288.db2.gz GLTVMCUDEVHJCO-UHFFFAOYSA-N 0 0 196.036 2.868 10 30 AFEERN Cc1ccc(C#CC#N)cc1Cl 161221638 344187300 /nfs/dbraw/zinc/18/73/00/344187300.db2.gz XUBMGISUSUUZIW-UHFFFAOYSA-N 0 0 175.618 2.524 10 30 AFEERN C#CCCn1ccc2c(F)cccc21 161010290 344183457 /nfs/dbraw/zinc/18/34/57/344183457.db2.gz BJEPLKBYFSUBHX-UHFFFAOYSA-N 0 0 187.217 2.804 10 30 AFEERN C#CCCCNc1ccc(F)cc1F 161048508 344183911 /nfs/dbraw/zinc/18/39/11/344183911.db2.gz XULTVWMSNVHSNA-UHFFFAOYSA-N 0 0 195.212 2.790 10 30 AFEERN CC(C)=CC(=O)c1ccc(C)nc1 161081331 344184308 /nfs/dbraw/zinc/18/43/08/344184308.db2.gz FSHUKPZGNNMOGW-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN CC#CCCC1(O)C[C@@H](C)C[C@H](C)C1 161496782 344192402 /nfs/dbraw/zinc/19/24/02/344192402.db2.gz NQZQPZSRCMHBSQ-RYUDHWBXSA-N 0 0 194.318 2.977 10 30 AFEERN N#CC#Cc1cccc2ccccc12 161214024 344187309 /nfs/dbraw/zinc/18/73/09/344187309.db2.gz SZMVVCKMZKMQMI-UHFFFAOYSA-N 0 0 177.206 2.715 10 30 AFEERN C=CC(=O)c1cc(C)cc(F)c1 162537880 344209574 /nfs/dbraw/zinc/20/95/74/344209574.db2.gz UQCHEVPJMGVHKM-UHFFFAOYSA-N 0 0 164.179 2.503 10 30 AFEERN c1ccc2sc([C@H]3CO3)cc2c1 162634825 344211712 /nfs/dbraw/zinc/21/17/12/344211712.db2.gz AVJYCMPTDPTFOI-MRVPVSSYSA-N 0 0 176.240 2.973 10 30 AFEERN C#CCCC[C@@H]1C[C@@H](C)CCC1=O 163148859 344219962 /nfs/dbraw/zinc/21/99/62/344219962.db2.gz KXQVDPKMFFJUPI-WDEREUQCSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCCC[C@@H]1C[C@H](C)CCC1=O 163148741 344219965 /nfs/dbraw/zinc/21/99/65/344219965.db2.gz KXQVDPKMFFJUPI-GHMZBOCLSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCCC[C@H]1C[C@@H](C)CCC1=O 163149106 344219966 /nfs/dbraw/zinc/21/99/66/344219966.db2.gz KXQVDPKMFFJUPI-QWRGUYRKSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCCC[C@]1(O)CC[C@@H](C)C[C@H]1C 163254775 344220921 /nfs/dbraw/zinc/22/09/21/344220921.db2.gz JWWHIDPXEASBTH-UPJWGTAASA-N 0 0 194.318 2.977 10 30 AFEERN C#CC[C@H](O)c1cc(Cl)ccc1F 163280134 344221530 /nfs/dbraw/zinc/22/15/30/344221530.db2.gz WRPANJIPHWVNHE-JTQLQIEISA-N 0 0 198.624 2.536 10 30 AFEERN C=C[C@@H](O)c1ccc(Cl)cc1F 163274229 344221577 /nfs/dbraw/zinc/22/15/77/344221577.db2.gz CTOVVZVHKATDOM-SECBINFHSA-N 0 0 186.613 2.699 10 30 AFEERN C[C@@H](C(=O)C1=CCCC1)C1CC1 163394533 344222871 /nfs/dbraw/zinc/22/28/71/344222871.db2.gz DUFVLWSNIFHNKI-MRVPVSSYSA-N 0 0 164.248 2.712 10 30 AFEERN CO[C@H](C#N)c1cc(Cl)ccc1F 163793080 344230260 /nfs/dbraw/zinc/23/02/60/344230260.db2.gz CIAJQUPOQKUTGI-SECBINFHSA-N 0 0 199.612 2.690 10 30 AFEERN CO[C@@H](C#N)c1cc(Cl)ccc1F 163792957 344230283 /nfs/dbraw/zinc/23/02/83/344230283.db2.gz CIAJQUPOQKUTGI-VIFPVBQESA-N 0 0 199.612 2.690 10 30 AFEERN ON=C1CCC(OCC2CCC2)CC1 164189637 344239472 /nfs/dbraw/zinc/23/94/72/344239472.db2.gz JOUNCGQZXFDHKT-UHFFFAOYSA-N 0 0 197.278 2.576 10 30 AFEERN C=C(CCO)c1cccc(Cl)c1 166076536 344274411 /nfs/dbraw/zinc/27/44/11/344274411.db2.gz KZNAOIRNAJHXCL-UHFFFAOYSA-N 0 0 182.650 2.736 10 30 AFEERN C=C(CC)C[C@]1(C)CC[C@H](O)C1 167213343 344300145 /nfs/dbraw/zinc/30/01/45/344300145.db2.gz FYDOVDJHUXSSHX-QWRGUYRKSA-N 0 0 168.280 2.894 10 30 AFEERN C[C@H]1CC[C@]2(CO2)c2ccccc21 167535781 344307943 /nfs/dbraw/zinc/30/79/43/344307943.db2.gz QUVBQHMTPQSPCY-CABZTGNLSA-N 0 0 174.243 2.809 10 30 AFEERN C=C=CC(=O)c1sccc1Cl 167698146 344311962 /nfs/dbraw/zinc/31/19/62/344311962.db2.gz IUKCYESLHBDUAU-UHFFFAOYSA-N 0 0 184.647 2.608 10 30 AFEERN C=CC(=O)c1cc(C)c(C)s1 167360459 344303602 /nfs/dbraw/zinc/30/36/02/344303602.db2.gz HVVSOJZFCZCIAI-UHFFFAOYSA-N 0 0 166.245 2.734 10 30 AFEERN C#CCCC(=O)c1ccc(Cl)s1 168274279 344326980 /nfs/dbraw/zinc/32/69/80/344326980.db2.gz OMKSCQIKNMRSIH-UHFFFAOYSA-N 0 0 198.674 2.998 10 30 AFEERN C=C1CCc2c1ccc(F)c2C#N 168358442 344329288 /nfs/dbraw/zinc/32/92/88/344329288.db2.gz LFPRGVJQRMHSNF-UHFFFAOYSA-N 0 0 173.190 2.657 10 30 AFEERN C=C(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 169173805 344347711 /nfs/dbraw/zinc/34/77/11/344347711.db2.gz KOCISKGKBXGBDL-NWDGAFQWSA-N 0 0 186.254 2.935 10 30 AFEERN C=C(C)C(=O)c1sccc1C 169169621 344347713 /nfs/dbraw/zinc/34/77/13/344347713.db2.gz JUZDGWXIIHVYHC-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN C=C(C)C(=O)c1ccc(C)cc1F 169184376 344347744 /nfs/dbraw/zinc/34/77/44/344347744.db2.gz MAKHSEXCUAHWFG-UHFFFAOYSA-N 0 0 178.206 2.893 10 30 AFEERN C=C(C)C(=O)C(C)(C)CC 169188969 344348244 /nfs/dbraw/zinc/34/82/44/344348244.db2.gz MKJYNUZMXDPZRE-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC(=O)c1sccc1CC 168968275 344341620 /nfs/dbraw/zinc/34/16/20/344341620.db2.gz IWCCXSKWVIXJGX-UHFFFAOYSA-N 0 0 166.245 2.679 10 30 AFEERN CC[C@@H](C)Nc1ccc(C#N)c(F)c1 168983365 344341652 /nfs/dbraw/zinc/34/16/52/344341652.db2.gz MBBBNRRFDSILST-MRVPVSSYSA-N 0 0 192.237 2.908 10 30 AFEERN C=C1CN=C(/C=C/c2ccccc2)O1 169601290 344351259 /nfs/dbraw/zinc/35/12/59/344351259.db2.gz UVRYEENQHAABMG-BQYQJAHWSA-N 0 0 185.226 2.642 10 30 AFEERN CC1CCC2(CC1)OC2(C)C 196241215 344356453 /nfs/dbraw/zinc/35/64/53/344356453.db2.gz MGTUJQFOHCTEJN-UHFFFAOYSA-N 0 0 154.253 2.744 10 30 AFEERN C=CCc1ccc(O)c(O)c1CC=C 196415533 344357348 /nfs/dbraw/zinc/35/73/48/344357348.db2.gz BUUFRRYYYJLJGC-UHFFFAOYSA-N 0 0 190.242 2.555 10 30 AFEERN Cc1cc(/N=C/c2ccccc2)no1 196677999 344358416 /nfs/dbraw/zinc/35/84/16/344358416.db2.gz DLGCOYBYNOPXEU-XYOKQWHBSA-N 0 0 186.214 2.734 10 30 AFEERN O=C1C=CC(=Cc2ccccc2)C1 204824519 344369968 /nfs/dbraw/zinc/36/99/68/344369968.db2.gz YPHNAPQTDPXQMB-FLIBITNWSA-N 0 0 170.211 2.599 10 30 AFEERN CC/C=C\C[C@H](O)C#C[Si](C)(C)C 209501106 344376961 /nfs/dbraw/zinc/37/69/61/344376961.db2.gz GVAYSBNDWCTGHW-ZADCQDASSA-N 0 0 196.366 2.584 10 30 AFEERN CC(C)=CCC[C@H](C)[C@H]1CO1 210169537 344377103 /nfs/dbraw/zinc/37/71/03/344377103.db2.gz GLYYRWADVSGYMW-VHSXEESVSA-N 0 0 154.253 2.768 10 30 AFEERN CC1(C)[C@H]2CC[C@@H](CC#N)[C@@H]1C2 214938051 344384459 /nfs/dbraw/zinc/38/44/59/344384459.db2.gz SMLXBNXTLBODMZ-GUBZILKMSA-N 0 0 163.264 2.972 10 30 AFEERN FC(F)(F)c1ncccc1CS 217564096 344403460 /nfs/dbraw/zinc/40/34/60/344403460.db2.gz HMDMWVXKHQGOCV-UHFFFAOYSA-N 0 0 193.193 2.530 10 30 AFEERN CCSc1cc(C#N)cc(Cl)n1 215565124 344390288 /nfs/dbraw/zinc/39/02/88/344390288.db2.gz TWHJUSSGSZYQFQ-UHFFFAOYSA-N 0 0 198.678 2.719 10 30 AFEERN CC[C@](C)(C#N)[C@@]1(O)CCC[C@@H](C)C1 218193489 344410688 /nfs/dbraw/zinc/41/06/88/344410688.db2.gz AGQBOJKAYWIMOX-IJLUTSLNSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)[C@](C)(O)[C@]1(C#N)CC[C@@H](C)C1 218246795 344410720 /nfs/dbraw/zinc/41/07/20/344410720.db2.gz XBZVPSLNUGGMRQ-GRYCIOLGSA-N 0 0 195.306 2.723 10 30 AFEERN CCCC/C(=N/[N+](=O)[O-])C(C)(C)C 219785352 344428474 /nfs/dbraw/zinc/42/84/74/344428474.db2.gz CUPRIUNGNCPPLP-NTMALXAHSA-N 0 0 186.255 2.855 10 30 AFEERN C=C(C)[C@]1(O)CC[C@@H](C)C[C@@H]1C 219896929 344428992 /nfs/dbraw/zinc/42/89/92/344428992.db2.gz XVRCAONICMTGLG-OUAUKWLOSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@]1(O)CCC[C@@H](C)[C@@H]1C 219896644 344429023 /nfs/dbraw/zinc/42/90/23/344429023.db2.gz BXHWLFJEOKMUIC-OUAUKWLOSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1cccc(C#N)c1N[C@H]1C[C@@H]1C 221048849 344437677 /nfs/dbraw/zinc/43/76/77/344437677.db2.gz VOMQRUHOIUOBRY-ONGXEEELSA-N 0 0 186.258 2.687 10 30 AFEERN Cc1cccc(C#N)c1NCC(F)F 221090910 344438146 /nfs/dbraw/zinc/43/81/46/344438146.db2.gz LUUHMQMDPHRYJG-UHFFFAOYSA-N 0 0 196.200 2.544 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@]1(O)[C@H](C)C#N 222164192 344449562 /nfs/dbraw/zinc/44/95/62/344449562.db2.gz IOIXZIBUEDFXDT-HOSYDEDBSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]1CC[C@@H](C)[C@@](Cl)(C#N)C1 222386203 344451904 /nfs/dbraw/zinc/45/19/04/344451904.db2.gz NLFCHWIUIZGXGS-HLTSFMKQSA-N 0 0 171.671 2.944 10 30 AFEERN C[C@H]1C[C@H](C)CC[C@@]1(Cl)C#N 222385951 344451906 /nfs/dbraw/zinc/45/19/06/344451906.db2.gz NAWYMXHLCAAKOL-HRDYMLBCSA-N 0 0 171.671 2.944 10 30 AFEERN CSc1cc(F)cc(F)c1C#N 221794510 344446225 /nfs/dbraw/zinc/44/62/25/344446225.db2.gz QIRCLCNMEWCMSX-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CC[C@H](C#N)N1CC[C@@H]2CCCC[C@@H]21 226563246 344506841 /nfs/dbraw/zinc/50/68/41/344506841.db2.gz XXEGDCATJWOPGT-TUAOUCFPSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@H](C#N)C(=O)[C@H]1CCCC1(C)C 226593279 344507799 /nfs/dbraw/zinc/50/77/99/344507799.db2.gz NHKAZKDVGYGXHS-RKDXNWHRSA-N 0 0 179.263 2.541 10 30 AFEERN CC#CC[C@H](O)[C@H]1CCCC1(C)C 226912053 344516886 /nfs/dbraw/zinc/51/68/86/344516886.db2.gz WHHRPMYGMMVDRJ-MNOVXSKESA-N 0 0 180.291 2.587 10 30 AFEERN CC#CC[C@H](O)[C@@H]1CCCC1(C)C 226912044 344516964 /nfs/dbraw/zinc/51/69/64/344516964.db2.gz WHHRPMYGMMVDRJ-QWRGUYRKSA-N 0 0 180.291 2.587 10 30 AFEERN Cc1ccc(Cl)c(NCCC#N)c1 227557066 344534947 /nfs/dbraw/zinc/53/49/47/344534947.db2.gz FHDKIWBMVOBXCV-UHFFFAOYSA-N 0 0 194.665 2.974 10 30 AFEERN C=CCCNc1cccc(Cl)n1 227559547 344534957 /nfs/dbraw/zinc/53/49/57/344534957.db2.gz CIQSSRDDBHYLTC-UHFFFAOYSA-N 0 0 182.654 2.723 10 30 AFEERN C=C(C)C[C@@H](O)c1ncc(C)cc1C 227562273 344534961 /nfs/dbraw/zinc/53/49/61/344534961.db2.gz DOKRFHDDWBOYPH-LLVKDONJSA-N 0 0 191.274 2.698 10 30 AFEERN CC(C)=CC(=O)c1ncc(C)cc1C 227561406 344534966 /nfs/dbraw/zinc/53/49/66/344534966.db2.gz YHULFKZWAPNKSN-UHFFFAOYSA-N 0 0 189.258 2.847 10 30 AFEERN C=C(C)C[C@H](O)c1ncc(C)cc1C 227562280 344535013 /nfs/dbraw/zinc/53/50/13/344535013.db2.gz DOKRFHDDWBOYPH-NSHDSACASA-N 0 0 191.274 2.698 10 30 AFEERN C[C@H](C#N)CC(=O)[C@H]1CCC[C@@H](C)C1 227573249 344535945 /nfs/dbraw/zinc/53/59/45/344535945.db2.gz XYEPAHLDOXFEGN-VWYCJHECSA-N 0 0 193.290 2.932 10 30 AFEERN CC(C)N(C)c1cc(F)cc(C#N)c1 227605521 344536405 /nfs/dbraw/zinc/53/64/05/344536405.db2.gz UBEAIKCMRKMWQX-UHFFFAOYSA-N 0 0 192.237 2.542 10 30 AFEERN C[C@H]1C[C@H]1Nc1cc(F)cc(C#N)c1 227616100 344536934 /nfs/dbraw/zinc/53/69/34/344536934.db2.gz AOLZUAAXNASCFF-WRWORJQWSA-N 0 0 190.221 2.518 10 30 AFEERN C#CCCC[C@]1(O)CC[C@@H](C)C[C@@H]1C 227904762 344549944 /nfs/dbraw/zinc/54/99/44/344549944.db2.gz JWWHIDPXEASBTH-AGIUHOORSA-N 0 0 194.318 2.977 10 30 AFEERN C[C@@H](Nc1ccccc1C#N)C(F)F 228480738 344562471 /nfs/dbraw/zinc/56/24/71/344562471.db2.gz SOBYSYKVVXZXLB-SSDOTTSWSA-N 0 0 196.200 2.624 10 30 AFEERN C[C@@H](Nc1ccc(C#N)cc1)C(F)F 228481157 344562489 /nfs/dbraw/zinc/56/24/89/344562489.db2.gz SXGRCOHVHDDZSA-SSDOTTSWSA-N 0 0 196.200 2.624 10 30 AFEERN C[C@H](Nc1ccccc1C#N)C(F)F 228480743 344562491 /nfs/dbraw/zinc/56/24/91/344562491.db2.gz SOBYSYKVVXZXLB-ZETCQYMHSA-N 0 0 196.200 2.624 10 30 AFEERN C#Cc1cccc(N[C@@H](C)C(F)F)c1 228477193 344562494 /nfs/dbraw/zinc/56/24/94/344562494.db2.gz STYRALWTFHVZHK-QMMMGPOBSA-N 0 0 195.212 2.733 10 30 AFEERN C[C@H](Nc1ccc(C#N)cc1)C(F)F 228481163 344562502 /nfs/dbraw/zinc/56/25/02/344562502.db2.gz SXGRCOHVHDDZSA-ZETCQYMHSA-N 0 0 196.200 2.624 10 30 AFEERN C=CC[C@H](O)[C@@H]1CC[C@H](C)[C@@H](C)C1 229087467 344581470 /nfs/dbraw/zinc/58/14/70/344581470.db2.gz NNNIFWHCTOSODK-YFKTTZPYSA-N 0 0 182.307 2.996 10 30 AFEERN C=CC[C@H](C)Nc1nccnc1Cl 229326271 344591830 /nfs/dbraw/zinc/59/18/30/344591830.db2.gz DNASORWZNPSOKA-ZETCQYMHSA-N 0 0 197.669 2.507 10 30 AFEERN C=C(C)CC[C@H]1CCC(=O)C1 229092017 344582106 /nfs/dbraw/zinc/58/21/06/344582106.db2.gz KVSZASYJDMGGDQ-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)CC(=O)C1=CCCC1 229479499 344597438 /nfs/dbraw/zinc/59/74/38/344597438.db2.gz PJKFMOBPJZUILI-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CCC(=O)C1=CC[C@H](C)CC1 229478935 344597451 /nfs/dbraw/zinc/59/74/51/344597451.db2.gz ZWVYEKKNKYYGJE-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C(C)=C/C(C)(C)C 229479183 344597476 /nfs/dbraw/zinc/59/74/76/344597476.db2.gz BXLDZLQMKWGWCC-VOTSOKGWSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC(=O)C=C1CCCCC1 229481032 344597478 /nfs/dbraw/zinc/59/74/78/344597478.db2.gz JQMVFHWGRFWVPT-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(=O)/C(C)=C/c1ccc(C)o1 229488420 344597862 /nfs/dbraw/zinc/59/78/62/344597862.db2.gz CGONAXDFNMAWNY-VOTSOKGWSA-N 0 0 164.204 2.580 10 30 AFEERN C/C=C/C(=O)c1ccccc1F 229488283 344597969 /nfs/dbraw/zinc/59/79/69/344597969.db2.gz ZQOBESJMZHICGX-GORDUTHDSA-N 0 0 164.179 2.585 10 30 AFEERN CCC[C@H](C)C1=CC(=O)CC1 229498781 344598176 /nfs/dbraw/zinc/59/81/76/344598176.db2.gz KAGPFSYQDJWYMT-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN C#C[C@H](CC)Nc1cccc(C)c1 229506749 344598849 /nfs/dbraw/zinc/59/88/49/344598849.db2.gz DGHSHPXACLDDLT-LLVKDONJSA-N 0 0 173.259 2.819 10 30 AFEERN C#C[C@@H](CC)Nc1cccc(F)c1 229509551 344598948 /nfs/dbraw/zinc/59/89/48/344598948.db2.gz BZXMVQOYBDHIBN-JTQLQIEISA-N 0 0 177.222 2.649 10 30 AFEERN C#C[C@H](CC)Nc1cc(F)ccc1F 229508368 344598988 /nfs/dbraw/zinc/59/89/88/344598988.db2.gz IUZICGPPBUFZFV-SECBINFHSA-N 0 0 195.212 2.789 10 30 AFEERN C#C[C@@H](CC)Nc1cc(F)ccc1F 229508359 344598995 /nfs/dbraw/zinc/59/89/95/344598995.db2.gz IUZICGPPBUFZFV-VIFPVBQESA-N 0 0 195.212 2.789 10 30 AFEERN C#C[C@H](C)Nc1cc(F)c(F)cc1F 229528979 344600671 /nfs/dbraw/zinc/60/06/71/344600671.db2.gz STJPZGJOHODVEK-LURJTMIESA-N 0 0 199.175 2.538 10 30 AFEERN C#C[C@H](C)Nc1cc(F)cc(F)c1F 229529019 344600708 /nfs/dbraw/zinc/60/07/08/344600708.db2.gz PGJBJTPFSSZNOX-LURJTMIESA-N 0 0 199.175 2.538 10 30 AFEERN CC[C@@H]1CCC[C@]1(C#N)N1CCCC1 229663200 344609588 /nfs/dbraw/zinc/60/95/88/344609588.db2.gz UTVMUMZBLKOCRI-VXGBXAGGSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@@H]1CCC[C@@]1(C#N)N1CCCC1 229663183 344609774 /nfs/dbraw/zinc/60/97/74/344609774.db2.gz UTVMUMZBLKOCRI-NEPJUHHUSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@H]1CCC/C1=C/C(C)=O 229679882 344611290 /nfs/dbraw/zinc/61/12/90/344611290.db2.gz AEGAMMJHJPEPJL-CBFJXKFUSA-N 0 0 152.237 2.712 10 30 AFEERN CC#CCC[C@@]1(O)CCC[C@H]1CC 229695036 344611931 /nfs/dbraw/zinc/61/19/31/344611931.db2.gz DMKADMBAJYYMMD-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN CC[C@@H]1CCC[C@@]1(O)C1(C#N)CCC1 229707736 344612166 /nfs/dbraw/zinc/61/21/66/344612166.db2.gz PLUUNLCWPOJPJL-PWSUYJOCSA-N 0 0 193.290 2.621 10 30 AFEERN C=C(C)[C@@]1(O)CCC[C@H]1CC 229698706 344612349 /nfs/dbraw/zinc/61/23/49/344612349.db2.gz MDVHIPXWYVBLRL-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)[C@]1(O)CCC[C@H]1CC 229698695 344612352 /nfs/dbraw/zinc/61/23/52/344612352.db2.gz MDVHIPXWYVBLRL-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN C#CC[C@H](C)Nc1ccnc(Cl)c1 229734225 344613086 /nfs/dbraw/zinc/61/30/86/344613086.db2.gz XFSUFHWRJWKBON-QMMMGPOBSA-N 0 0 194.665 2.559 10 30 AFEERN C[C@](Cl)(C#N)CC1CCC1 229753006 344614049 /nfs/dbraw/zinc/61/40/49/344614049.db2.gz PFAYVYURMUHTBJ-MRVPVSSYSA-N 0 0 157.644 2.698 10 30 AFEERN C[C@](O)(CC1CCC1)C1(C#N)CCC1 229767018 344615614 /nfs/dbraw/zinc/61/56/14/344615614.db2.gz YKFSMWZWLMGWGS-NSHDSACASA-N 0 0 193.290 2.621 10 30 AFEERN C#C[C@@H](CC)Nc1ccncc1Cl 230000414 344622835 /nfs/dbraw/zinc/62/28/35/344622835.db2.gz MNIFFHUUOQBPCS-QMMMGPOBSA-N 0 0 194.665 2.559 10 30 AFEERN C#C[C@@H](C)Nc1cc(F)cc(Cl)c1 230001864 344623544 /nfs/dbraw/zinc/62/35/44/344623544.db2.gz QPDARSUXAQOEIW-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](CCC)Nc1ccc(C)cn1 230004150 344623587 /nfs/dbraw/zinc/62/35/87/344623587.db2.gz CVYNIJWETRMRJJ-NSHDSACASA-N 0 0 188.274 2.604 10 30 AFEERN C#C[C@H](CCC)Nc1ccc(C)cn1 230004157 344623599 /nfs/dbraw/zinc/62/35/99/344623599.db2.gz CVYNIJWETRMRJJ-LLVKDONJSA-N 0 0 188.274 2.604 10 30 AFEERN C#C[C@@H](CC)Nc1ncccc1Cl 229998814 344622782 /nfs/dbraw/zinc/62/27/82/344622782.db2.gz HEIPKDWWMYMEGN-QMMMGPOBSA-N 0 0 194.665 2.559 10 30 AFEERN C#C[C@H](CC)Nc1ccncc1Cl 230000419 344622806 /nfs/dbraw/zinc/62/28/06/344622806.db2.gz MNIFFHUUOQBPCS-MRVPVSSYSA-N 0 0 194.665 2.559 10 30 AFEERN C#C[C@@H](CC)Nc1ccc(Cl)cn1 229998985 344622815 /nfs/dbraw/zinc/62/28/15/344622815.db2.gz UNEJBFAAEVEWOW-VIFPVBQESA-N 0 0 194.665 2.559 10 30 AFEERN C#C[C@H](CC)Nc1ccnc(Cl)c1 230021014 344624282 /nfs/dbraw/zinc/62/42/82/344624282.db2.gz YGYWMUQAIPFBLA-MRVPVSSYSA-N 0 0 194.665 2.559 10 30 AFEERN C#C[C@@H](CC)Nc1ccnc(Cl)c1 230021008 344624301 /nfs/dbraw/zinc/62/43/01/344624301.db2.gz YGYWMUQAIPFBLA-QMMMGPOBSA-N 0 0 194.665 2.559 10 30 AFEERN Cc1cc(F)cc2ccc(C#N)nc12 230093140 344626266 /nfs/dbraw/zinc/62/62/66/344626266.db2.gz NPJXTBKURZPUMP-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN Cc1cc2ccc(C#N)nc2cc1F 230093280 344626294 /nfs/dbraw/zinc/62/62/94/344626294.db2.gz PNOHHISRGGHKJS-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN Cc1ccc(F)c2nc(C#N)ccc12 230093120 344626296 /nfs/dbraw/zinc/62/62/96/344626296.db2.gz DMDMIYXLNRPOEN-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN C=C(C)CC1=C[C@H](O)CCCC1 230172320 344628047 /nfs/dbraw/zinc/62/80/47/344628047.db2.gz DAYMHOQFXIKPHC-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN C=CCCC1=C[C@@H](O)CCCC1 230174984 344628057 /nfs/dbraw/zinc/62/80/57/344628057.db2.gz KWWOVAAREMIVJB-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN C=CCCC1=C[C@H](O)CCCC1 230174989 344628098 /nfs/dbraw/zinc/62/80/98/344628098.db2.gz KWWOVAAREMIVJB-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@@H](C#N)N1CC[C@@H](C(C)(C)C)C1 230258160 344630037 /nfs/dbraw/zinc/63/00/37/344630037.db2.gz XZRQNCRPIFAAOB-MNOVXSKESA-N 0 0 194.322 2.657 10 30 AFEERN Cc1ccc(C[C@H](C)C=O)cc1F 230278578 344630345 /nfs/dbraw/zinc/63/03/45/344630345.db2.gz PAILDPMPQRZOCD-QMMMGPOBSA-N 0 0 180.222 2.512 10 30 AFEERN Cc1ccc(C[C@@H](C)C=O)cc1F 230278572 344630392 /nfs/dbraw/zinc/63/03/92/344630392.db2.gz PAILDPMPQRZOCD-MRVPVSSYSA-N 0 0 180.222 2.512 10 30 AFEERN C=C(C)CC1=C[C@@H](O)CCCC1 230172184 344628179 /nfs/dbraw/zinc/62/81/79/344628179.db2.gz DAYMHOQFXIKPHC-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)[C@@H]1CCC[C@@]2(CO2)C1 231017749 344647806 /nfs/dbraw/zinc/64/78/06/344647806.db2.gz FZWULOWGPPLAJN-ZJUUUORDSA-N 0 0 154.253 2.602 10 30 AFEERN CC(C)[C@H](C)S[C@H](C)C#N 231193147 344649577 /nfs/dbraw/zinc/64/95/77/344649577.db2.gz GDMUVTFVRQJUCD-SFYZADRCSA-N 0 0 157.282 2.676 10 30 AFEERN C[C@H](C#N)Nc1cc(F)ccc1Cl 231817451 344661618 /nfs/dbraw/zinc/66/16/18/344661618.db2.gz ROWJDFQBNMTEDW-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN CC[C@@H](C)[C@@H](C#N)c1cccc(N)c1 232275050 344673317 /nfs/dbraw/zinc/67/33/17/344673317.db2.gz KGWYVLAYMBAGHW-BXKDBHETSA-N 0 0 188.274 2.922 10 30 AFEERN Cc1ccc(Cl)c(N[C@@H](C)C#N)c1 232243874 344673328 /nfs/dbraw/zinc/67/33/28/344673328.db2.gz YRMJXFRGRVEURJ-QMMMGPOBSA-N 0 0 194.665 2.972 10 30 AFEERN CC(C)[C@H](C#N)c1cccc(N)c1 232275148 344673756 /nfs/dbraw/zinc/67/37/56/344673756.db2.gz UBDZJZGQLNZUIL-NSHDSACASA-N 0 0 174.247 2.532 10 30 AFEERN CC[C@H](C)[C@@H](C#N)c1cccc(N)c1 232275052 344673773 /nfs/dbraw/zinc/67/37/73/344673773.db2.gz KGWYVLAYMBAGHW-JOYOIKCWSA-N 0 0 188.274 2.922 10 30 AFEERN CC=CC(=O)Cc1ccc(F)cc1F 232472766 344679444 /nfs/dbraw/zinc/67/94/44/344679444.db2.gz YMFPIZCKJFBFCN-NSCUHMNNSA-N 0 0 196.196 2.653 10 30 AFEERN CC(=O)C=C1CC(C(C)C)C1 232555183 344682398 /nfs/dbraw/zinc/68/23/98/344682398.db2.gz FHZJXFWWKZWLRA-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCCNc1nccc2occc12 232600943 344685241 /nfs/dbraw/zinc/68/52/41/344685241.db2.gz HPFSQZWQXFABEY-UHFFFAOYSA-N 0 0 188.230 2.816 10 30 AFEERN CC(=O)/C=C(/C)c1cccc(F)c1F 232628916 344686259 /nfs/dbraw/zinc/68/62/59/344686259.db2.gz FEPFQQOGUJVJMH-SREVYHEPSA-N 0 0 196.196 2.957 10 30 AFEERN CC=C=CC(=O)C1=CC[C@H](C)CC1 232651806 344687034 /nfs/dbraw/zinc/68/70/34/344687034.db2.gz ZNNDFIBKNCUSOP-JTQLQIEISA-N 0 0 176.259 2.715 10 30 AFEERN CCCN[C@]1(C#N)CC(C)(C)C[C@@H]1C 233193861 344699738 /nfs/dbraw/zinc/69/97/38/344699738.db2.gz RCGUOUIJXDUPMW-JQWIXIFHSA-N 0 0 194.322 2.704 10 30 AFEERN CCO[C@]1(C#N)CC(C)(C)C[C@H]1C 233784530 344704377 /nfs/dbraw/zinc/70/43/77/344704377.db2.gz ALHUYTQCRNTOCL-KOLCDFICSA-N 0 0 181.279 2.741 10 30 AFEERN C/C=C/C(=O)c1cccc(OCC)c1 233772580 344704381 /nfs/dbraw/zinc/70/43/81/344704381.db2.gz LIBNOTFSNHBKRC-ZZXKWVIFSA-N 0 0 190.242 2.844 10 30 AFEERN CCO[C@@]1(C#N)CC(C)(C)C[C@H]1C 233755949 344704404 /nfs/dbraw/zinc/70/44/04/344704404.db2.gz ALHUYTQCRNTOCL-MWLCHTKSSA-N 0 0 181.279 2.741 10 30 AFEERN C=CC(=O)c1ccc(Cl)c(OC)c1 234811918 344728422 /nfs/dbraw/zinc/72/84/22/344728422.db2.gz ZOJMBDPRLKWDHX-UHFFFAOYSA-N 0 0 196.633 2.717 10 30 AFEERN C=C[C@H](C)Nc1cc(OC)ccc1F 234863207 344729680 /nfs/dbraw/zinc/72/96/80/344729680.db2.gz XSYBKYBUXWICCX-QMMMGPOBSA-N 0 0 195.237 2.821 10 30 AFEERN C=C[C@@H](C)Nc1ccc(F)cc1 235241083 344737716 /nfs/dbraw/zinc/73/77/16/344737716.db2.gz RIKCVGJTXRFASR-MRVPVSSYSA-N 0 0 165.211 2.812 10 30 AFEERN C=C[C@@H](C)Nc1ccccc1N(C)C 235243412 344737719 /nfs/dbraw/zinc/73/77/19/344737719.db2.gz QRMBEKUJCGGMGV-SNVBAGLBSA-N 0 0 190.290 2.739 10 30 AFEERN C/C=C/C(=O)c1ccc(OC)cc1C 234822830 344728839 /nfs/dbraw/zinc/72/88/39/344728839.db2.gz MCEAUJHPOGBCLF-SNAWJCMRSA-N 0 0 190.242 2.762 10 30 AFEERN C#CCC[C@]1(O)CC(C)(C)C[C@H]1C 235273468 344739402 /nfs/dbraw/zinc/73/94/02/344739402.db2.gz MMXZQVMVHJKBIL-PWSUYJOCSA-N 0 0 180.291 2.587 10 30 AFEERN C=CC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 235274728 344740004 /nfs/dbraw/zinc/74/00/04/344740004.db2.gz ZEQQIYSZUFJRNW-KXUCPTDWSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H](C)Nc1ccccc1N(C)C 235536166 344752910 /nfs/dbraw/zinc/75/29/10/344752910.db2.gz QRMBEKUJCGGMGV-JTQLQIEISA-N 0 0 190.290 2.739 10 30 AFEERN C[C@H]1CC(C)(C)C[C@]1(Cl)C#N 235603317 344758713 /nfs/dbraw/zinc/75/87/13/344758713.db2.gz FDBJDEGDSDGRRP-CBAPKCEASA-N 0 0 171.671 2.944 10 30 AFEERN C#CCC[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1 235622745 344760139 /nfs/dbraw/zinc/76/01/39/344760139.db2.gz INCXPOROELZDRW-WXHSDQCUSA-N 0 0 192.302 2.753 10 30 AFEERN C=CC(=O)c1cc(C)c(F)c(C)c1 235739581 344764969 /nfs/dbraw/zinc/76/49/69/344764969.db2.gz DCVWFRSFBSDFNL-UHFFFAOYSA-N 0 0 178.206 2.811 10 30 AFEERN Cc1c(F)cc(C#N)cc1NC1CC1 235759543 344765654 /nfs/dbraw/zinc/76/56/54/344765654.db2.gz SWZCQWPWANELIX-UHFFFAOYSA-N 0 0 190.221 2.580 10 30 AFEERN C=CC(=O)c1c(C)cccc1C 235763598 344765665 /nfs/dbraw/zinc/76/56/65/344765665.db2.gz BXIHMGNQAPFTHI-UHFFFAOYSA-N 0 0 160.216 2.672 10 30 AFEERN Cc1ccc(NCC(F)F)c(C#N)c1 235759519 344765718 /nfs/dbraw/zinc/76/57/18/344765718.db2.gz LMZXSNPGVWUXQY-UHFFFAOYSA-N 0 0 196.200 2.544 10 30 AFEERN C=CCCNc1cc(C)c(F)cc1N 235769565 344765980 /nfs/dbraw/zinc/76/59/80/344765980.db2.gz LGJMBQHEJXJWJV-UHFFFAOYSA-N 0 0 194.253 2.704 10 30 AFEERN C=CC(=O)c1c[nH]c2cccc(C)c12 235767678 344766043 /nfs/dbraw/zinc/76/60/43/344766043.db2.gz TZQHLLCBLXPWEA-UHFFFAOYSA-N 0 0 185.226 2.845 10 30 AFEERN N#CC1(Nc2cccc(Cl)c2)CC1 236047268 344771846 /nfs/dbraw/zinc/77/18/46/344771846.db2.gz BBNYJCFXCYSHSC-UHFFFAOYSA-N 0 0 192.649 2.808 10 30 AFEERN C=CC(=O)Cc1ccc(Cl)cc1F 236138581 344775268 /nfs/dbraw/zinc/77/52/68/344775268.db2.gz LMUSFCIIDCPLOE-UHFFFAOYSA-N 0 0 198.624 2.777 10 30 AFEERN CCCC=C=CC(=O)c1ccco1 32302475 190610632 /nfs/dbraw/zinc/61/06/32/190610632.db2.gz XEFGMANESJQNHF-UHFFFAOYSA-N 0 0 176.215 2.656 10 30 AFEERN C#CCC(=O)c1ccc(Cl)c(F)c1 236173914 344776228 /nfs/dbraw/zinc/77/62/28/344776228.db2.gz CYSLDOISGFSRLI-UHFFFAOYSA-N 0 0 196.608 2.685 10 30 AFEERN C=CC(=O)c1ccc(Cl)c(F)c1 236173769 344776271 /nfs/dbraw/zinc/77/62/71/344776271.db2.gz XYPSOXBKBUQQSX-UHFFFAOYSA-N 0 0 184.597 2.848 10 30 AFEERN O=C(Cc1cccs1)C1=CCCC1 236402733 344784285 /nfs/dbraw/zinc/78/42/85/344784285.db2.gz FFIKDMZCGBPNBF-UHFFFAOYSA-N 0 0 192.283 2.970 10 30 AFEERN C#CCCC(=O)C=C1CCCCC1 236396045 344784337 /nfs/dbraw/zinc/78/43/37/344784337.db2.gz ICIUUBYCOWMKPV-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN O=C(Cc1ccco1)C1=CCCC1 236402339 344784366 /nfs/dbraw/zinc/78/43/66/344784366.db2.gz MGUXEBISQXZMJK-UHFFFAOYSA-N 0 0 176.215 2.502 10 30 AFEERN C=C[C@H](O)CC#CCCCCCC 238192747 344795278 /nfs/dbraw/zinc/79/52/78/344795278.db2.gz CKSNTAWBMRQSGC-LBPRGKRZSA-N 0 0 180.291 2.897 10 30 AFEERN CC(=O)C=C(C(C)C)C(C)C 238185201 344795315 /nfs/dbraw/zinc/79/53/15/344795315.db2.gz NXVJFHNIXGDJJJ-UHFFFAOYSA-N 0 0 154.253 2.814 10 30 AFEERN CC1CCC(n2cc(C#N)cn2)CC1 238206790 344795743 /nfs/dbraw/zinc/79/57/43/344795743.db2.gz OZPJKRYLSNABKS-UHFFFAOYSA-N 0 0 189.262 2.506 10 30 AFEERN COc1ccc(C(F)F)cc1C#N 238356046 344802746 /nfs/dbraw/zinc/80/27/46/344802746.db2.gz PLRQNXSKCFTWIP-UHFFFAOYSA-N 0 0 183.157 2.504 10 30 AFEERN COc1ccc(C(F)F)c(C#N)c1 238355307 344802747 /nfs/dbraw/zinc/80/27/47/344802747.db2.gz NDZGJWBNIFSNOY-UHFFFAOYSA-N 0 0 183.157 2.504 10 30 AFEERN CC[C@@](C)(C=O)c1ccc(OC)cc1 238287491 344799118 /nfs/dbraw/zinc/79/91/18/344799118.db2.gz BUDCNOLHYWZLMG-LBPRGKRZSA-N 0 0 192.258 2.562 10 30 AFEERN C=C[C@H](C)CNc1ccccc1 238428699 344806305 /nfs/dbraw/zinc/80/63/05/344806305.db2.gz AVMICCZSERVUAD-JTQLQIEISA-N 0 0 161.248 2.921 10 30 AFEERN C[C@@](C#N)(Nc1ccccc1)C(F)F 238438017 344806790 /nfs/dbraw/zinc/80/67/90/344806790.db2.gz JWUVPEMUVZERKN-JTQLQIEISA-N 0 0 196.200 2.646 10 30 AFEERN C=CC[C@H]1C[C@@H](C)C(=O)C=C1C 238451512 344807194 /nfs/dbraw/zinc/80/71/94/344807194.db2.gz PYDDSRVUUSBMEU-ZJUUUORDSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@H]1C[C@H]1COc1ccccc1C#N 238449897 344807207 /nfs/dbraw/zinc/80/72/07/344807207.db2.gz FLIZIFOERKOPLH-ONGXEEELSA-N 0 0 187.242 2.593 10 30 AFEERN C[C@@H]1C[C@H]1COc1ccccc1C#N 238460230 344807580 /nfs/dbraw/zinc/80/75/80/344807580.db2.gz FLIZIFOERKOPLH-KOLCDFICSA-N 0 0 187.242 2.593 10 30 AFEERN Cc1cc(C(F)F)ccc1C#N 238511823 344810182 /nfs/dbraw/zinc/81/01/82/344810182.db2.gz HPGWENWELXWVFL-UHFFFAOYSA-N 0 0 167.158 2.804 10 30 AFEERN Cc1c(C#N)cccc1C(F)F 238521027 344810598 /nfs/dbraw/zinc/81/05/98/344810598.db2.gz DIJKHBDMCYHUQQ-UHFFFAOYSA-N 0 0 167.158 2.804 10 30 AFEERN Cc1ccc(C#N)cc1C(F)F 238544407 344812134 /nfs/dbraw/zinc/81/21/34/344812134.db2.gz KTTSRECKYSZTPM-UHFFFAOYSA-N 0 0 167.158 2.804 10 30 AFEERN N#CCc1cc(O)c2ccccc2c1 238684506 344819006 /nfs/dbraw/zinc/81/90/06/344819006.db2.gz WGMDWFPHWIMTCV-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN CCCN[C@]1(C#N)CCC[C@H](C)[C@H]1C 250823436 344841952 /nfs/dbraw/zinc/84/19/52/344841952.db2.gz OZNSAZLXFBVHKW-TUAOUCFPSA-N 0 0 194.322 2.704 10 30 AFEERN c1ccc([C@@H]2CC[C@H]3O[C@H]3C2)cc1 250810204 344841961 /nfs/dbraw/zinc/84/19/61/344841961.db2.gz KQNIOTJMXWFGHV-UTUOFQBUSA-N 0 0 174.243 2.722 10 30 AFEERN CCCN[C@]1(C#N)CC[C@H](C)C[C@H]1C 250888833 344842926 /nfs/dbraw/zinc/84/29/26/344842926.db2.gz WFGCVEBJNBGICR-TUAOUCFPSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H](C#N)N(C)[C@H](C)c1ccccc1 251055175 344845320 /nfs/dbraw/zinc/84/53/20/344845320.db2.gz TVVMILIFAHGHKN-GHMZBOCLSA-N 0 0 188.274 2.591 10 30 AFEERN CCCN[C@]1(C#N)C[C@@H](C)C[C@@H](C)C1 250824334 344841894 /nfs/dbraw/zinc/84/18/94/344841894.db2.gz PCOHCYZSFWISSM-GDNZZTSVSA-N 0 0 194.322 2.704 10 30 AFEERN CCCN[C@]1(C#N)CCC[C@@H](C)[C@H]1C 250823442 344841920 /nfs/dbraw/zinc/84/19/20/344841920.db2.gz OZNSAZLXFBVHKW-UTUOFQBUSA-N 0 0 194.322 2.704 10 30 AFEERN CCC[C@@H](C)C[N@H+](CC)C[C@H](C)C#N 251270338 344850925 /nfs/dbraw/zinc/85/09/25/344850925.db2.gz FAPYLGLEXGRETP-VXGBXAGGSA-N 0 0 196.338 2.904 10 30 AFEERN CCC[C@H](C)C[N@H+](CC)C[C@H](C)C#N 251270335 344850950 /nfs/dbraw/zinc/85/09/50/344850950.db2.gz FAPYLGLEXGRETP-NWDGAFQWSA-N 0 0 196.338 2.904 10 30 AFEERN CCC[C@@H]1CCCCN1[C@H](C)C#N 251282368 344851489 /nfs/dbraw/zinc/85/14/89/344851489.db2.gz FGLJTTKFTPWIMG-GHMZBOCLSA-N 0 0 180.295 2.553 10 30 AFEERN CC(C)N[C@]1(C#N)CC[C@@H](C)[C@H](C)C1 251715032 344868019 /nfs/dbraw/zinc/86/80/19/344868019.db2.gz IHEDZGIKYMNKKB-IJLUTSLNSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H]1CC(C)(C)CCC1=NO 251782991 344873177 /nfs/dbraw/zinc/87/31/77/344873177.db2.gz FPLNYAIWCPHJRV-SSDOTTSWSA-N 0 0 155.241 2.663 10 30 AFEERN C[C@@H]1CC[C@@H](C#N)C[C@H]1C 251975535 344882858 /nfs/dbraw/zinc/88/28/58/344882858.db2.gz YJVGNQLRSCOXHP-IWSPIJDZSA-N 0 0 137.226 2.582 10 30 AFEERN CC(C)C(=NO)c1cccs1 252440407 344896922 /nfs/dbraw/zinc/89/69/22/344896922.db2.gz DXKDJJMXWQZEDB-UHFFFAOYSA-N 0 0 169.249 2.582 10 30 AFEERN CC1(C)CCCC(=NO)CC1 252686088 344908382 /nfs/dbraw/zinc/90/83/82/344908382.db2.gz XCADGNYPRWQVMR-UHFFFAOYSA-N 0 0 155.241 2.807 10 30 AFEERN CC(C)=CC(=O)[C@@H]1[C@H]2CCCC[C@H]21 252703314 344909761 /nfs/dbraw/zinc/90/97/61/344909761.db2.gz UEBBSWFYKNVYHA-IAZYJMLFSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@H](C[C@@H]2CO2)C1 252717338 344910348 /nfs/dbraw/zinc/91/03/48/344910348.db2.gz BABYNCBZGPZMCN-VPOLOUISSA-N 0 0 168.280 2.848 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@H](C[C@H]2CO2)C1 252717339 344910355 /nfs/dbraw/zinc/91/03/55/344910355.db2.gz BABYNCBZGPZMCN-ZDCRXTMVSA-N 0 0 168.280 2.848 10 30 AFEERN C[C@@H]1CC[C@H](C[C@@H]2CO2)C[C@H]1C 252722640 344910361 /nfs/dbraw/zinc/91/03/61/344910361.db2.gz RCWZABCSSPISRP-CHWFTXMASA-N 0 0 168.280 2.848 10 30 AFEERN CC#CCC[C@]1(O)C[C@@H](C)C[C@@H](C)C1 252832339 344915466 /nfs/dbraw/zinc/91/54/66/344915466.db2.gz NQZQPZSRCMHBSQ-CLLJXQQHSA-N 0 0 194.318 2.977 10 30 AFEERN CC[C@@H]1CCCCCN1[C@H](C)C#N 252879647 344917905 /nfs/dbraw/zinc/91/79/05/344917905.db2.gz YXVYWXQRFCCHED-GHMZBOCLSA-N 0 0 180.295 2.553 10 30 AFEERN ON=C(c1ccc(Cl)cc1)C1CC1 254297959 344935565 /nfs/dbraw/zinc/93/55/65/344935565.db2.gz ZAWYKLRZLXIEGC-UHFFFAOYSA-N 0 0 195.649 2.928 10 30 AFEERN N#Cc1ccc(-c2cscn2)s1 259674030 344950278 /nfs/dbraw/zinc/95/02/78/344950278.db2.gz KSEQKADDWPPWND-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN CC(COc1c(C)cccc1C)=NO 257351322 344941646 /nfs/dbraw/zinc/94/16/46/344941646.db2.gz DJQNMCARGAAZBX-UHFFFAOYSA-N 0 0 193.246 2.532 10 30 AFEERN C/C=C\C=Nc1cnc2ccccn12 257351488 344941654 /nfs/dbraw/zinc/94/16/54/344941654.db2.gz FJWJBUREXNPYHU-UCUMMZLBSA-N 0 0 185.230 2.613 10 30 AFEERN CC(C)(C)C#CCC(=O)CC1CC1 300719719 344983467 /nfs/dbraw/zinc/98/34/67/344983467.db2.gz BBHVRBWBAVHMPV-UHFFFAOYSA-N 0 0 178.275 2.795 10 30 AFEERN CC=CC(=O)C=C=CC(C)(C)C 300824925 345003052 /nfs/dbraw/zinc/00/30/52/345003052.db2.gz ZRBJPDRLVUEPND-FNORWQNLSA-N 0 0 164.248 2.571 10 30 AFEERN Cc1cccc(NCC#N)c1Cl 300828806 345003059 /nfs/dbraw/zinc/00/30/59/345003059.db2.gz CAMAKYLIUQAWML-UHFFFAOYSA-N 0 0 180.638 2.584 10 30 AFEERN N#CC[C@@H](O)C1CCCCCCC1 300794452 344999346 /nfs/dbraw/zinc/99/93/46/344999346.db2.gz CPINVUXSASHMHQ-LLVKDONJSA-N 0 0 181.279 2.621 10 30 AFEERN C=C[C@H](C)Nc1ccc2c(c1)COC2 300923247 345013699 /nfs/dbraw/zinc/01/36/99/345013699.db2.gz ZQPLZEHNHFBJTN-VIFPVBQESA-N 0 0 189.258 2.703 10 30 AFEERN CCc1cc(NCCC#N)ccc1C 300928591 345014267 /nfs/dbraw/zinc/01/42/67/345014267.db2.gz VODYGMKCRDSLML-UHFFFAOYSA-N 0 0 188.274 2.883 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CCC(F)(F)C1 300968822 345019958 /nfs/dbraw/zinc/01/99/58/345019958.db2.gz WPPBSIZXPLKEET-MRVPVSSYSA-N 0 0 188.217 2.957 10 30 AFEERN CC(C)[C@@H](O)C[C@]1(C#N)CC[C@@H](C)C1 306149911 345038999 /nfs/dbraw/zinc/03/89/99/345038999.db2.gz CDWPRNXBACZLBA-WOPDTQHZSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@]1(C=O)CC[C@H](c2cccs2)O1 306151616 345041681 /nfs/dbraw/zinc/04/16/81/345041681.db2.gz HOFRUPHXSFTMSX-PSASIEDQSA-N 0 0 196.271 2.557 10 30 AFEERN C[C@@H]1CC[C@](C#N)(c2ccncc2)C1 306152647 345043285 /nfs/dbraw/zinc/04/32/85/345043285.db2.gz AKPKKFVRFPZISF-PWSUYJOCSA-N 0 0 186.258 2.663 10 30 AFEERN C[C@H]1CC[C@@](C#N)(c2ccncc2)C1 306152643 345043291 /nfs/dbraw/zinc/04/32/91/345043291.db2.gz AKPKKFVRFPZISF-CMPLNLGQSA-N 0 0 186.258 2.663 10 30 AFEERN C[C@@H]([C@H](O)C(C)(C)C#N)C(C)(C)C 306153041 345043854 /nfs/dbraw/zinc/04/38/54/345043854.db2.gz HGQJBJHBSQBHNQ-IUCAKERBSA-N 0 0 183.295 2.579 10 30 AFEERN C[C@H]([C@H](O)C(C)(C)C#N)C(C)(C)C 306153037 345043883 /nfs/dbraw/zinc/04/38/83/345043883.db2.gz HGQJBJHBSQBHNQ-BDAKNGLRSA-N 0 0 183.295 2.579 10 30 AFEERN CC#CC[C@@H](O)[C@H]1CC[C@H](CC)CC1 306162725 345054076 /nfs/dbraw/zinc/05/40/76/345054076.db2.gz WSKGFDDVJXAZNO-JHJVBQTASA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)[C@]1(C)CCC[C@H](CC#N)O1 306166999 345057672 /nfs/dbraw/zinc/05/76/72/345057672.db2.gz VBTWIMQQOSEQCB-MNOVXSKESA-N 0 0 181.279 2.884 10 30 AFEERN C[C@@H](O)CCC1(C#N)CCCCC1 306177291 345067718 /nfs/dbraw/zinc/06/77/18/345067718.db2.gz XLLPAEQVGKNFHA-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN C[C@H](C=O)Cc1ccc2cnccc2c1 306193492 345083582 /nfs/dbraw/zinc/08/35/82/345083582.db2.gz LOSJWIIAZSTCFF-JTQLQIEISA-N 0 0 199.253 2.612 10 30 AFEERN C[C@@H](C=O)Cc1ccc2cnccc2c1 306194068 345083604 /nfs/dbraw/zinc/08/36/04/345083604.db2.gz LOSJWIIAZSTCFF-SNVBAGLBSA-N 0 0 199.253 2.612 10 30 AFEERN C#CCCCn1cc(C)c(C)c1C 306217394 345108896 /nfs/dbraw/zinc/10/88/96/345108896.db2.gz JTZOQUVIQRKPJQ-UHFFFAOYSA-N 0 0 175.275 2.827 10 30 AFEERN C[C@@H]1CC[C@]1(C#N)NC1CCCCC1 306221787 345114233 /nfs/dbraw/zinc/11/42/33/345114233.db2.gz JQXACXIYIJLYOO-ZYHUDNBSSA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@](C)(C#N)N1CC2(CCCC2)C1 306225002 345118212 /nfs/dbraw/zinc/11/82/12/345118212.db2.gz LKADKWKUFRARBV-LLVKDONJSA-N 0 0 192.306 2.555 10 30 AFEERN Cc1ccc([C@H]2CC[C@H](CC#N)O2)o1 306209394 345098853 /nfs/dbraw/zinc/09/88/53/345098853.db2.gz SLMZSPXUSCTJFJ-MWLCHTKSSA-N 0 0 191.230 2.722 10 30 AFEERN Cc1sccc1[C@H]1CC(=O)C=CO1 306239226 345132042 /nfs/dbraw/zinc/13/20/42/345132042.db2.gz MXRMCNQNTGPXEP-SNVBAGLBSA-N 0 0 194.255 2.601 10 30 AFEERN Cc1sccc1[C@@H]1CC(=O)C=CO1 306239225 345132249 /nfs/dbraw/zinc/13/22/49/345132249.db2.gz MXRMCNQNTGPXEP-JTQLQIEISA-N 0 0 194.255 2.601 10 30 AFEERN CCO[C@@]1(C=O)CCC(C)(C)C[C@@H]1C 306243339 345135641 /nfs/dbraw/zinc/13/56/41/345135641.db2.gz OHCYXIFYJMZSBA-CMPLNLGQSA-N 0 0 198.306 2.807 10 30 AFEERN CCCNc1cc(C)cc(C#N)c1 306247454 345139328 /nfs/dbraw/zinc/13/93/28/345139328.db2.gz SQOWBNNPRCRGJM-UHFFFAOYSA-N 0 0 174.247 2.689 10 30 AFEERN O=CC1=C(O)C2(CCCCC2)CC1 306228347 345121227 /nfs/dbraw/zinc/12/12/27/345121227.db2.gz DZCUFPRSNMNSRL-HJWRWDBZSA-N 0 0 180.247 2.742 10 30 AFEERN CC1(C)CCC(C[C@](C)(O)C=O)CC1 306261541 345152246 /nfs/dbraw/zinc/15/22/46/345152246.db2.gz WLTMRNFPCMASBN-LBPRGKRZSA-N 0 0 198.306 2.543 10 30 AFEERN CC#C[C@@H](O)c1cc(Cl)ccc1F 306275976 345163492 /nfs/dbraw/zinc/16/34/92/345163492.db2.gz DHYZYWUJFSNJRT-SNVBAGLBSA-N 0 0 198.624 2.536 10 30 AFEERN CC#CCSCc1cnc(C)s1 306276815 345164145 /nfs/dbraw/zinc/16/41/45/345164145.db2.gz FHIITHCJDUYUIT-UHFFFAOYSA-N 0 0 197.328 2.708 10 30 AFEERN C#CCC(=O)c1cc(F)ccc1Cl 306334284 345210575 /nfs/dbraw/zinc/21/05/75/345210575.db2.gz UIENOSZAFXAORN-UHFFFAOYSA-N 0 0 196.608 2.685 10 30 AFEERN Cc1nccc(N=[N+]=[N-])c1Cl 306349251 345223117 /nfs/dbraw/zinc/22/31/17/345223117.db2.gz KZSBSKVZSWYNLY-UHFFFAOYSA-N 0 0 168.587 2.985 10 30 AFEERN CC#C[C@]1(O)CCCC[C@H]1C(C)C 306360512 345230714 /nfs/dbraw/zinc/23/07/14/345230714.db2.gz MROIYYSIQBCMAY-RYUDHWBXSA-N 0 0 180.291 2.587 10 30 AFEERN O=CCCc1csc(Cl)c1 306426909 345284256 /nfs/dbraw/zinc/28/42/56/345284256.db2.gz IFUPAISLMWHWCF-UHFFFAOYSA-N 0 0 174.652 2.533 10 30 AFEERN CC(C)(C)[C@H]1CC[C@](C)(CC#N)O1 306434308 345293786 /nfs/dbraw/zinc/29/37/86/345293786.db2.gz ZPBZTQWCIWQXFN-MWLCHTKSSA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)(C)[C@@H]1CC[C@](C)(CC#N)O1 306434306 345293941 /nfs/dbraw/zinc/29/39/41/345293941.db2.gz ZPBZTQWCIWQXFN-GXSJLCMTSA-N 0 0 181.279 2.884 10 30 AFEERN C#CC[C@@]1(C#N)CCC[C@@H](C)C1 306452355 345312766 /nfs/dbraw/zinc/31/27/66/345312766.db2.gz VBPQMAVTYWMZCE-GHMZBOCLSA-N 0 0 161.248 2.730 10 30 AFEERN C#CC[C@]1(C#N)CCC[C@H](C)C1 306452357 345312822 /nfs/dbraw/zinc/31/28/22/345312822.db2.gz VBPQMAVTYWMZCE-QWRGUYRKSA-N 0 0 161.248 2.730 10 30 AFEERN C=CCSc1ccc(C#N)c(C)n1 306452961 345313214 /nfs/dbraw/zinc/31/32/14/345313214.db2.gz HSDJALMCVKZSHF-UHFFFAOYSA-N 0 0 190.271 2.540 10 30 AFEERN C=C(C(=O)c1ccoc1)C(F)(F)F 306455261 345314940 /nfs/dbraw/zinc/31/49/40/345314940.db2.gz NSANCMKDWUHAOW-UHFFFAOYSA-N 0 0 190.120 2.581 10 30 AFEERN CC(C)O[C@]1(C=O)CC[C@@H](C)[C@@H](C)C1 306462149 345321816 /nfs/dbraw/zinc/32/18/16/345321816.db2.gz GZCHBQWCEKCBFS-GRYCIOLGSA-N 0 0 198.306 2.805 10 30 AFEERN CC(C)O[C@]1(C=O)CC[C@H](C)[C@H](C)C1 306462154 345322259 /nfs/dbraw/zinc/32/22/59/345322259.db2.gz GZCHBQWCEKCBFS-QJPTWQEYSA-N 0 0 198.306 2.805 10 30 AFEERN CC(C)O[C@]1(C=O)CC[C@H](C)[C@@H](C)C1 306462156 345322266 /nfs/dbraw/zinc/32/22/66/345322266.db2.gz GZCHBQWCEKCBFS-SDDRHHMPSA-N 0 0 198.306 2.805 10 30 AFEERN CCC1(C[C@]2(C#N)CCCN2)CCC1 306468854 345331321 /nfs/dbraw/zinc/33/13/21/345331321.db2.gz OHXKDBFAYHOJDL-LBPRGKRZSA-N 0 0 192.306 2.603 10 30 AFEERN CC(C)[C@@H](C)Nc1ccc(C#N)o1 306493418 345366733 /nfs/dbraw/zinc/36/67/33/345366733.db2.gz ZBBKHRNJKIMMJN-MRVPVSSYSA-N 0 0 178.235 2.608 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)CCC[C@@H]1C 306518337 345389768 /nfs/dbraw/zinc/38/97/68/345389768.db2.gz CZAFGBGQVKHJRY-XPUUQOCRSA-N 0 0 194.196 2.656 10 30 AFEERN CC[C@@H](C)c1ncc(C#N)c(Cl)n1 306530920 345402727 /nfs/dbraw/zinc/40/27/27/345402727.db2.gz KCYGUPDUSHCXHW-ZCFIWIBFSA-N 0 0 195.653 2.515 10 30 AFEERN CC[C@@H](C)Sc1ccncc1C#N 306561449 345437746 /nfs/dbraw/zinc/43/77/46/345437746.db2.gz BUVRHBBXOUXSON-MRVPVSSYSA-N 0 0 192.287 2.844 10 30 AFEERN CC[C@H](C)Sc1ccncc1C#N 306561450 345437779 /nfs/dbraw/zinc/43/77/79/345437779.db2.gz BUVRHBBXOUXSON-QMMMGPOBSA-N 0 0 192.287 2.844 10 30 AFEERN CC1(C)CC[C@]2(CC[C@](C)(C=O)O2)C1 306563959 345440262 /nfs/dbraw/zinc/44/02/62/345440262.db2.gz PYEPUNJNUQXOSQ-NEPJUHHUSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@@]1(c2cccc(C)c2)CO1 306581594 345458783 /nfs/dbraw/zinc/45/87/83/345458783.db2.gz ZNQBCVLWFYGJJE-NSHDSACASA-N 0 0 162.232 2.631 10 30 AFEERN C=C(C)C[C@@H](O)c1cnc(C)cc1C 306588547 345465635 /nfs/dbraw/zinc/46/56/35/345465635.db2.gz VWRPCBZZPHKUNJ-GFCCVEGCSA-N 0 0 191.274 2.698 10 30 AFEERN CC(C)(C#N)Cc1ccnc(Cl)c1 306637333 345505552 /nfs/dbraw/zinc/50/55/52/345505552.db2.gz BJMKLFGEFHGCRG-UHFFFAOYSA-N 0 0 194.665 2.827 10 30 AFEERN CC(C)[C@@H](C)[C@H](C#N)N1CCCCC1 306697826 345553541 /nfs/dbraw/zinc/55/35/41/345553541.db2.gz CUEQNBXDUFXBLI-NEPJUHHUSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)=CC(=O)C1CC(F)(F)C1 306746249 345589075 /nfs/dbraw/zinc/58/90/75/345589075.db2.gz JUNZDAVTIUVSSQ-UHFFFAOYSA-N 0 0 174.190 2.567 10 30 AFEERN C=CCC[C@@]1(O)CCc2ccccc21 306812196 345630953 /nfs/dbraw/zinc/63/09/53/345630953.db2.gz YPBIZYVRZQWVOM-CYBMUJFWSA-N 0 0 188.270 2.787 10 30 AFEERN CCN(C)N=C1CCC2(CC1)CC2 306859523 345663049 /nfs/dbraw/zinc/66/30/49/345663049.db2.gz CWDHBLKFFPXTEO-UHFFFAOYSA-N 0 0 180.295 2.648 10 30 AFEERN C[C@@H](C=O)[C@@H]1CC2CCC1CC2 306954418 345717335 /nfs/dbraw/zinc/71/73/35/345717335.db2.gz ODDUAPHWPJZORQ-PMUOWJKOSA-N 0 0 166.264 2.648 10 30 AFEERN C[C@]1([C@@H]2CC3CCC2CC3)CO1 306958318 345718929 /nfs/dbraw/zinc/71/89/29/345718929.db2.gz VJEKFIBFTDLPCU-JPPWEJMLSA-N 0 0 166.264 2.602 10 30 AFEERN CSc1cc(F)c(C#N)c(F)c1 307003142 345745408 /nfs/dbraw/zinc/74/54/08/345745408.db2.gz DAEDQGJXPSKAFS-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CC#CCC[C@@]1(C#N)CCCS1 307012510 345752259 /nfs/dbraw/zinc/75/22/59/345752259.db2.gz KWOUEYCHJNXPFA-JTQLQIEISA-N 0 0 179.288 2.579 10 30 AFEERN C=C(C)CNc1ncc(Cl)s1 307035105 345768483 /nfs/dbraw/zinc/76/84/83/345768483.db2.gz NGUSAHSDCWAPTO-UHFFFAOYSA-N 0 0 188.683 2.785 10 30 AFEERN COC[C@H](C)C1(C#N)CCC(C)CC1 307071088 345792867 /nfs/dbraw/zinc/79/28/67/345792867.db2.gz WOCYZLKPGMCQKY-CXQJBGSLSA-N 0 0 195.306 2.989 10 30 AFEERN C[C@H]([C@H](O)C1(C#N)CCC1)C(C)(C)C 307179912 345869982 /nfs/dbraw/zinc/86/99/82/345869982.db2.gz KWLVYRBAWFELFP-ZJUUUORDSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@]1(C=O)CC[C@@H](c2ccsc2)O1 307184110 345872399 /nfs/dbraw/zinc/87/23/99/345872399.db2.gz DWKGWLFWHNIRTJ-VHSXEESVSA-N 0 0 196.271 2.557 10 30 AFEERN CC#CCSc1ccc(C)cn1 307205616 345889962 /nfs/dbraw/zinc/88/99/62/345889962.db2.gz GTNGYUMDOJLYMA-UHFFFAOYSA-N 0 0 177.272 2.505 10 30 AFEERN Cc1ccc(CC#N)c(F)c1Cl 307186545 345874161 /nfs/dbraw/zinc/87/41/61/345874161.db2.gz MGGMFBNWYRTVPD-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN CC[C@@H](C)C(=O)c1ccc(C#N)cc1 307192939 345878435 /nfs/dbraw/zinc/87/84/35/345878435.db2.gz MRCSIRWYSVXLFK-SECBINFHSA-N 0 0 187.242 2.787 10 30 AFEERN C=C[C@H](C)Nc1ccc(C)cc1OC 307235911 345912122 /nfs/dbraw/zinc/91/21/22/345912122.db2.gz FYFIAGSSGQZJAW-JTQLQIEISA-N 0 0 191.274 2.990 10 30 AFEERN CC(C)OC[C@]1(C#N)CCC[C@@H]1C 307250781 345922538 /nfs/dbraw/zinc/92/25/38/345922538.db2.gz PWJXMKDUPFDZKT-WDEREUQCSA-N 0 0 181.279 2.741 10 30 AFEERN O=C(C1=CCCCC1)c1ccns1 307272755 345939783 /nfs/dbraw/zinc/93/97/83/345939783.db2.gz OALNSHRMKPCXKR-UHFFFAOYSA-N 0 0 193.271 2.826 10 30 AFEERN CC#CCC[C@@H](O)c1ccsc1C 307277103 345942476 /nfs/dbraw/zinc/94/24/76/345942476.db2.gz ZNHZQDKFJLODRN-LLVKDONJSA-N 0 0 194.299 2.893 10 30 AFEERN CC(C)(C)c1ccnc(N=[N+]=[N-])n1 307301761 345956602 /nfs/dbraw/zinc/95/66/02/345956602.db2.gz UQHGOEQAOYXLSY-UHFFFAOYSA-N 0 0 177.211 2.716 10 30 AFEERN Cc1cc(C(=O)C2=CCCC2)sn1 307297672 345954204 /nfs/dbraw/zinc/95/42/04/345954204.db2.gz UZSBMPITTXCUTG-UHFFFAOYSA-N 0 0 193.271 2.745 10 30 AFEERN CC(C)(F)C(=O)C1=CCCCC1 307309751 345962411 /nfs/dbraw/zinc/96/24/11/345962411.db2.gz XTMOGQJLCRNBMU-UHFFFAOYSA-N 0 0 170.227 2.804 10 30 AFEERN C[C@]1(C(=O)C2=CCCCC2)C[C@H]1F 307339241 345981307 /nfs/dbraw/zinc/98/13/07/345981307.db2.gz WCBCGEQIQLWXRW-KOLCDFICSA-N 0 0 182.238 2.804 10 30 AFEERN C[C@H](C(=O)C1=CCCC1)C(C)(F)F 307342707 345983200 /nfs/dbraw/zinc/98/32/00/345983200.db2.gz WHUASFZCXBTZDV-SSDOTTSWSA-N 0 0 188.217 2.957 10 30 AFEERN C[C@@H](C(=O)C1=CCCC1)C(C)(F)F 307342708 345983208 /nfs/dbraw/zinc/98/32/08/345983208.db2.gz WHUASFZCXBTZDV-ZETCQYMHSA-N 0 0 188.217 2.957 10 30 AFEERN CC#CCCC1=CC(=O)C[C@@H](C)C1 307427433 346034781 /nfs/dbraw/zinc/03/47/81/346034781.db2.gz GOUAYRGOSYECGY-JTQLQIEISA-N 0 0 176.259 2.715 10 30 AFEERN C[C@@H]1CCCC[C@]1(C=O)C1CC1 307435568 346038595 /nfs/dbraw/zinc/03/85/95/346038595.db2.gz OCHKLANRIBUUBS-MWLCHTKSSA-N 0 0 166.264 2.792 10 30 AFEERN N#CC1(C2CC2)Cc2ccccc2C1 307440389 346041167 /nfs/dbraw/zinc/04/11/67/346041167.db2.gz YETOVCUWTMMPAM-UHFFFAOYSA-N 0 0 183.254 2.705 10 30 AFEERN Cc1cscc1N[C@@H](C)CC#N 307511583 346083157 /nfs/dbraw/zinc/08/31/57/346083157.db2.gz CFQIMFUVDUNMET-QMMMGPOBSA-N 0 0 180.276 2.771 10 30 AFEERN O=C1C=C(CC2=CCCC2)CC1 307514596 346085163 /nfs/dbraw/zinc/08/51/63/346085163.db2.gz TWCFBQDYRCQKBX-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN N#CC1(CC2(O)CCCC2)CCCC1 307540979 346101402 /nfs/dbraw/zinc/10/14/02/346101402.db2.gz XAIRHOWLDDVMJA-UHFFFAOYSA-N 0 0 193.290 2.766 10 30 AFEERN C1CCC2(C1)CCCC[C@@]21CO1 307582081 346127296 /nfs/dbraw/zinc/12/72/96/346127296.db2.gz UEVMAMRMWMOITI-LLVKDONJSA-N 0 0 166.264 2.890 10 30 AFEERN C1CCC2(C1)CCCC[C@]21CO1 307582082 346127304 /nfs/dbraw/zinc/12/73/04/346127304.db2.gz UEVMAMRMWMOITI-NSHDSACASA-N 0 0 166.264 2.890 10 30 AFEERN CO[C@H](C#N)C1CCC(C(C)C)CC1 307615447 346148607 /nfs/dbraw/zinc/14/86/07/346148607.db2.gz MONJEVVEJAZGKG-HTAVTVPLSA-N 0 0 195.306 2.987 10 30 AFEERN C/C(=C\Cl)C[C@]1(C#N)CCCCN1 307675576 346176999 /nfs/dbraw/zinc/17/69/99/346176999.db2.gz GKVCJUJWAHNVMG-PCYYEKQGSA-N 0 0 198.697 2.555 10 30 AFEERN Cc1sccc1C1=CCCC1=O 307675552 346177004 /nfs/dbraw/zinc/17/70/04/346177004.db2.gz GHCISQCMAVBKTO-UHFFFAOYSA-N 0 0 178.256 2.803 10 30 AFEERN C/C(=C\Cl)C[C@@]1(C#N)CCCCN1 307675578 346177022 /nfs/dbraw/zinc/17/70/22/346177022.db2.gz GKVCJUJWAHNVMG-TTZKWOQHSA-N 0 0 198.697 2.555 10 30 AFEERN Cc1cc(C(=O)C2=COCC2)cs1 307718229 346200844 /nfs/dbraw/zinc/20/08/44/346200844.db2.gz KXJDPMMZQOHISE-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN C=CCS[C@H]1CCCC[C@@H]1C#N 307747997 346217832 /nfs/dbraw/zinc/21/78/32/346217832.db2.gz AUSPYULIJPOOBZ-ZJUUUORDSA-N 0 0 181.304 2.988 10 30 AFEERN CC(=O)/C(C)=C\[C@@H]1CCCSC1 307962266 346242550 /nfs/dbraw/zinc/24/25/50/346242550.db2.gz NAWIYUKEVJDUPL-ZEBCKKTISA-N 0 0 184.304 2.665 10 30 AFEERN CC(=NN)[C@H](C)C1CCCCC1 307962952 346242551 /nfs/dbraw/zinc/24/25/51/346242551.db2.gz NOFIKPPSSBRKPN-QMMMGPOBSA-N 0 0 168.284 2.537 10 30 AFEERN C=C(C)[C@H](CO)SCC=C(C)C 307964874 346243422 /nfs/dbraw/zinc/24/34/22/346243422.db2.gz QEPQLJUYLALNTG-JTQLQIEISA-N 0 0 186.320 2.623 10 30 AFEERN ON=C1CCCCC12CCCC2 307970219 346244527 /nfs/dbraw/zinc/24/45/27/346244527.db2.gz WSINDGIWLUFRBV-UHFFFAOYSA-N 0 0 167.252 2.951 10 30 AFEERN ON=C(Cl)c1coc2ccccc12 308148345 346261389 /nfs/dbraw/zinc/26/13/89/346261389.db2.gz DUDAGJCLFQVRLA-UHFFFAOYSA-N 0 0 195.605 2.807 10 30 AFEERN CC(C)CON=C1C[C@H]2C=CC[C@H]12 308169172 346265545 /nfs/dbraw/zinc/26/55/45/346265545.db2.gz YVLZRBNLVVNTRC-ZJUUUORDSA-N 0 0 179.263 2.611 10 30 AFEERN C=C(CC)CSCCn1cccn1 308172093 346266147 /nfs/dbraw/zinc/26/61/47/346266147.db2.gz CRQWPNCRYLHMME-UHFFFAOYSA-N 0 0 196.319 2.583 10 30 AFEERN C/C(=C/Cl)C[C@@]1(C#N)CCCCN1 308203783 346269647 /nfs/dbraw/zinc/26/96/47/346269647.db2.gz GKVCJUJWAHNVMG-UJICNMFASA-N 0 0 198.697 2.555 10 30 AFEERN C=CCCC(=O)N[C@@H](CC)C(C)C 308244832 346274536 /nfs/dbraw/zinc/27/45/36/346274536.db2.gz UTUMFARIPWYOTH-JTQLQIEISA-N 0 0 183.295 2.503 10 30 AFEERN C=CCCCCCN(C)C(=O)CC 308249584 346276106 /nfs/dbraw/zinc/27/61/06/346276106.db2.gz AKUXZJDRFJVTDH-UHFFFAOYSA-N 0 0 183.295 2.601 10 30 AFEERN C=CCCC(=O)N(CC)CCCC 308325927 346290026 /nfs/dbraw/zinc/29/00/26/346290026.db2.gz FKMSXCJDQBHFRU-UHFFFAOYSA-N 0 0 183.295 2.601 10 30 AFEERN CC/C=C\C(=O)c1cc(F)ncc1F 308611371 346315499 /nfs/dbraw/zinc/31/54/99/346315499.db2.gz YOUHCRYSAZICQT-ARJAWSKDSA-N 0 0 197.184 2.509 10 30 AFEERN CC(C)(C)NN=C[C@H]1CC=CCC1 393723673 346583337 /nfs/dbraw/zinc/58/33/37/346583337.db2.gz NZCDJCQXWPXCOP-JTQLQIEISA-N 0 0 180.295 2.717 10 30 AFEERN C[C@@H]1C(=NOC2CCCC2)C[C@H]1C 393920716 346583908 /nfs/dbraw/zinc/58/39/08/346583908.db2.gz GPOAHXGLKHENLQ-BDAKNGLRSA-N 0 0 181.279 2.978 10 30 AFEERN C=CCCCSCc1ncccn1 394290560 346584342 /nfs/dbraw/zinc/58/43/42/346584342.db2.gz NIMVRENDSGCGEM-UHFFFAOYSA-N 0 0 194.303 2.676 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403778494 346639011 /nfs/dbraw/zinc/63/90/11/346639011.db2.gz WYTCJNQUVHMWPY-GMTAPVOTSA-N 0 0 178.275 2.958 10 30 AFEERN CCN(CC#N)CCC(C)(C)C1CC1 406043306 346677678 /nfs/dbraw/zinc/67/76/78/346677678.db2.gz SKRANYJSQLXFSD-UHFFFAOYSA-N 0 0 194.322 2.658 10 30 AFEERN CCCCC#CC#CC(=O)CCC 584637635 346738617 /nfs/dbraw/zinc/73/86/17/346738617.db2.gz RAZIWQQQCQSWDB-UHFFFAOYSA-N 0 0 176.259 2.553 10 30 AFEERN C/C=C1/C(=O)c2ccccc2[C@@H]1OC 584609889 346726019 /nfs/dbraw/zinc/72/60/19/346726019.db2.gz MMLJICIUMWTASB-CPWLGJMPSA-N 0 0 188.226 2.517 10 30 AFEERN C=C(c1cccc(F)c1)C1(O)CCC1 584612942 346728509 /nfs/dbraw/zinc/72/85/09/346728509.db2.gz XMZONWFBEFLLIS-UHFFFAOYSA-N 0 0 192.233 2.754 10 30 AFEERN C=C(C)[C@H](CO)S[C@H](C)C(C)C 590726896 346790283 /nfs/dbraw/zinc/79/02/83/346790283.db2.gz GOHMBVZBCUIVBW-ZJUUUORDSA-N 0 0 188.336 2.701 10 30 AFEERN C=CCN1C[C@H](C)Cc2ccccc21 591379508 346813174 /nfs/dbraw/zinc/81/31/74/346813174.db2.gz BOMINOUIYXNPCI-LLVKDONJSA-N 0 0 187.286 2.871 10 30 AFEERN C=C1CCN(C(=O)CCCCC)CC1 591062789 346803130 /nfs/dbraw/zinc/80/31/30/346803130.db2.gz AEDFKDRIXCNFNT-UHFFFAOYSA-N 0 0 195.306 2.745 10 30 AFEERN C=CCCC[C@H](C)N1CC(C)(C#N)C1 593980411 346843058 /nfs/dbraw/zinc/84/30/58/346843058.db2.gz BVBJUEVRJBRZQV-NSHDSACASA-N 0 0 192.306 2.577 10 30 AFEERN N#CCN1CCCC[C@H]1CC1CCC1 595868054 346869772 /nfs/dbraw/zinc/86/97/72/346869772.db2.gz RDRUGHQLYLEBCF-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN CCN(CCCC1CCC1)[C@@H](C)C#N 595817207 346865535 /nfs/dbraw/zinc/86/55/35/346865535.db2.gz IBISNGWZNYGJPT-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN Cc1ccccc1CC1CC(C=O)C1 606302095 346977139 /nfs/dbraw/zinc/97/71/39/346977139.db2.gz BDZWDNAIPOREGF-UHFFFAOYSA-N 0 0 188.270 2.763 10 30 AFEERN CC#CCN1CC2(CC2)c2ccccc21 607735308 346995713 /nfs/dbraw/zinc/99/57/13/346995713.db2.gz DKJCURKBJWDVPR-UHFFFAOYSA-N 0 0 197.281 2.562 10 30 AFEERN CC(C)=CCN1CCC[C@](C)(C#N)C1 612166127 347046132 /nfs/dbraw/zinc/04/61/32/347046132.db2.gz ASRAMSUJBUFWMC-GFCCVEGCSA-N 0 0 192.306 2.578 10 30 AFEERN Cc1cccc(CS[C@H](C)C=O)c1 616571613 347099821 /nfs/dbraw/zinc/09/98/21/347099821.db2.gz HWWVVXNDIDXRTM-SNVBAGLBSA-N 0 0 194.299 2.816 10 30 AFEERN C[C@@H]1C[C@@H]1C(=O)C1=CCCCC1 50324843 351553443 /nfs/dbraw/zinc/55/34/43/351553443.db2.gz WWNABGGOTAJRRQ-SCZZXKLOSA-N 0 0 164.248 2.712 10 30 AFEERN CCc1cc(CC#N)c(F)cc1F 258024297 351857590 /nfs/dbraw/zinc/85/75/90/351857590.db2.gz OHVRJQBZKMUVJY-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN C=C(C)CSCCc1cccnc1 308343026 352049271 /nfs/dbraw/zinc/04/92/71/352049271.db2.gz SGGBHYLWMUUHKU-UHFFFAOYSA-N 0 0 193.315 2.933 10 30 AFEERN C=C(C)C(C)(C)C(=O)N1[C@H](C)C[C@H]1C 335087334 352089111 /nfs/dbraw/zinc/08/91/11/352089111.db2.gz UHDGPLRBXUKLNR-NXEZZACHSA-N 0 0 195.306 2.598 10 30 AFEERN O=C1C=CCC/C1=C/c1ccccc1 1587411 229141479 /nfs/dbraw/zinc/14/14/79/229141479.db2.gz CZJKWOZAWZLOBF-BENRWUELSA-N 0 0 184.238 2.989 10 30 AFEERN C=C(C)[C@H](O)c1cc(Cl)ccc1N 575505729 352432450 /nfs/dbraw/zinc/43/24/50/352432450.db2.gz SVCNBWHLAJQADS-JTQLQIEISA-N 0 0 197.665 2.532 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCCSCC1 575483975 352324850 /nfs/dbraw/zinc/32/48/50/352324850.db2.gz GZWVTLMRMWGMOF-SECBINFHSA-N 0 0 184.304 2.665 10 30 AFEERN N#CC1(C[C@H]2CO2)CCCCCC1 575536984 352587710 /nfs/dbraw/zinc/58/77/10/352587710.db2.gz JBIVZKPNNVTBSO-JTQLQIEISA-N 0 0 179.263 2.639 10 30 AFEERN SCC1C2CC3CC(C2)CC1C3 575592673 352839304 /nfs/dbraw/zinc/83/93/04/352839304.db2.gz AROSWWCDUIVJQK-UHFFFAOYSA-N 0 0 182.332 2.989 10 30 AFEERN CCOc1cc(C)cc(C#N)c1CC 575669934 352884780 /nfs/dbraw/zinc/88/47/80/352884780.db2.gz BNZMEDOWGLPAAT-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1c(C#N)ccc(CC)c1F 575669835 352884854 /nfs/dbraw/zinc/88/48/54/352884854.db2.gz AHYVWIQWVBRLPE-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1c(C)ccc(C#N)c1F 575671004 352885253 /nfs/dbraw/zinc/88/52/53/352885253.db2.gz OUYFNPPTRQQUJQ-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1c(C#N)cc(F)cc1CC 575670592 352885256 /nfs/dbraw/zinc/88/52/56/352885256.db2.gz OCTREWMVHDTMKH-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1c(C)ccc(C#N)c1CC 575670958 352885258 /nfs/dbraw/zinc/88/52/58/352885258.db2.gz QEGSKJZTFGMTOS-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1cc(CC)c(C#N)cc1F 575670562 352885260 /nfs/dbraw/zinc/88/52/60/352885260.db2.gz MBTGCDYYLACJSX-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(F)cc(CC)c1C#N 575670623 352885262 /nfs/dbraw/zinc/88/52/62/352885262.db2.gz PLZGRVVYNICHBX-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(C#N)c(F)cc1CC 575670603 352885264 /nfs/dbraw/zinc/88/52/64/352885264.db2.gz OIMHUIQMNSLLJI-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1c(C#N)ccc(C)c1F 575670857 352885266 /nfs/dbraw/zinc/88/52/66/352885266.db2.gz NNADNQKNQCGEAF-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1ccc(F)c(C#N)c1CC 575670600 352885268 /nfs/dbraw/zinc/88/52/68/352885268.db2.gz OHOIKCQKULUJSJ-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(CC)cc(C)c1C#N 575670561 352885539 /nfs/dbraw/zinc/88/55/39/352885539.db2.gz MBPWKJDTGBXTLD-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1cc(CC#N)c(C)cc1C 575697191 352889008 /nfs/dbraw/zinc/88/90/08/352889008.db2.gz YEUZXTGLXMTDNX-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCOc1c(C)cc(F)cc1CC#N 575696894 352889013 /nfs/dbraw/zinc/88/90/13/352889013.db2.gz PBPZAMPVPGYYHF-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CSc1cc(F)c(C)cc1CC#N 575710158 352892563 /nfs/dbraw/zinc/89/25/63/352892563.db2.gz QIYKAWDXNRFHLG-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN N#CCCSC[C@H]1C[C@@H]2C[C@@H]2C1 596022131 352922784 /nfs/dbraw/zinc/92/27/84/352922784.db2.gz RVFDDXXWHJFFIU-ILWJIGKKSA-N 0 0 181.304 2.679 10 30 AFEERN CCOc1ccc(F)c(CC)c1C#N 575671622 352886121 /nfs/dbraw/zinc/88/61/21/352886121.db2.gz ZNYBUBQEQWNGCT-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1c(C)cc(C#N)cc1F 575671939 352886126 /nfs/dbraw/zinc/88/61/26/352886126.db2.gz ZLCBSDVYMJLLHE-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCc1c(F)ccc(C)c1C#N 575671578 352886132 /nfs/dbraw/zinc/88/61/32/352886132.db2.gz VAGKMGHJYROLFU-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCc1ccc(C)c(C)c1C#N 575671613 352886134 /nfs/dbraw/zinc/88/61/34/352886134.db2.gz NCRJSVOOKZYAGH-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN CCOc1cc(C#N)cc(C)c1C 575671324 352886141 /nfs/dbraw/zinc/88/61/41/352886141.db2.gz IJDXWBRZIMTTBV-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCOc1ccc(C#N)c(CC)c1F 575671367 352886148 /nfs/dbraw/zinc/88/61/48/352886148.db2.gz WZJXZLCQQHFASP-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1c(C)cc(C)cc1C#N 575671841 352886149 /nfs/dbraw/zinc/88/61/49/352886149.db2.gz PGGCKMHNCQOUSW-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN CCOc1cc(C#N)c(C)cc1C 575671532 352886152 /nfs/dbraw/zinc/88/61/52/352886152.db2.gz LUPYWMYECFLOGT-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCc1cc(C)c(C#N)cc1C 575672124 352886154 /nfs/dbraw/zinc/88/61/54/352886154.db2.gz XHKYHYGDYXCHHY-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN CCOc1cc(C#N)cc(C)c1CC 575671526 352886157 /nfs/dbraw/zinc/88/61/57/352886157.db2.gz YKZGWAPLJSBHNV-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1ccc(C)c(C#N)c1C 575672044 352886159 /nfs/dbraw/zinc/88/61/59/352886159.db2.gz VFKCLZLTSGLNAV-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN CCc1c(C)ccc(F)c1C#N 575671423 352886164 /nfs/dbraw/zinc/88/61/64/352886164.db2.gz RSAMZDQAYHDHSQ-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCc1c(F)ccc(C#N)c1C 575671512 352886167 /nfs/dbraw/zinc/88/61/67/352886167.db2.gz SYSZBEBUYJDIFO-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1c(CC)ccc(C#N)c1F 575671504 352886170 /nfs/dbraw/zinc/88/61/70/352886170.db2.gz YJPLKFTWYBKZJF-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1c(C)cc(F)cc1C#N 575671413 352886172 /nfs/dbraw/zinc/88/61/72/352886172.db2.gz ROPHPKMFKQDFLD-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CC1(C)CC(Cn2ccc(C#N)c2)C1 530163509 266962885 /nfs/dbraw/zinc/96/28/85/266962885.db2.gz OFWHGPULZDMWQO-UHFFFAOYSA-N 0 0 188.274 2.796 10 30 AFEERN C=C(C)C1CCC(C=O)CC1 32164949 290744189 /nfs/dbraw/zinc/74/41/89/290744189.db2.gz AOVAKEPXEOVCEW-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 biogenic,in-vitro AFEERN C=C/C=C/C=C/C#CC#C/C=C/C 86002137 290744743 /nfs/dbraw/zinc/74/47/43/290744743.db2.gz ASVIELUINMCNMW-FSNIPRKGSA-N 0 0 168.239 2.868 10 30 biogenic,in-vitro AFEERN CC(=O)/C=C/c1ccc2cc[nH]c2c1 14517364 290745297 /nfs/dbraw/zinc/74/52/97/290745297.db2.gz HCEGIXNDCJEVTE-NSCUHMNNSA-N 0 0 185.226 2.770 10 30 biogenic,in-vitro AFEERN C=CC(=C)CC(=O)C=C(C)C 33950770 290745324 /nfs/dbraw/zinc/74/53/24/290745324.db2.gz RPDIIOSMVGHNKJ-UHFFFAOYSA-N 0 0 150.221 2.654 10 30 biogenic,in-vitro AFEERN C=CCCC/C=C\COC 32184041 325598492 /nfs/dbraw/zinc/59/84/92/325598492.db2.gz MIJJHRIQVWIQGL-FPLPWBNLSA-N 0 0 140.226 2.545 10 30 AFEERN C=C(C)[C@@H]1CC(=O)[C@H](C)[C@H](CC#N)C1 33855889 325598842 /nfs/dbraw/zinc/59/88/42/325598842.db2.gz QQPHRURVHPZOGV-MXWKQRLJSA-N 0 0 191.274 2.708 10 30 AFEERN C=CC[C@@H](C)N(C)C(=O)OC(C)(C)C 34580534 325599425 /nfs/dbraw/zinc/59/94/25/325599425.db2.gz MGFRWLSGAABYES-SECBINFHSA-N 0 0 199.294 2.818 10 30 AFEERN CC[C@](F)(C#N)c1ccc(OC)cc1 260965413 325638628 /nfs/dbraw/zinc/63/86/28/325638628.db2.gz ONJJXKZVGIJSBV-NSHDSACASA-N 0 0 193.221 2.794 10 30 AFEERN CC[C@@](F)(C#N)c1ccc(OC)cc1 260965412 325638683 /nfs/dbraw/zinc/63/86/83/325638683.db2.gz ONJJXKZVGIJSBV-LLVKDONJSA-N 0 0 193.221 2.794 10 30 AFEERN C=C(C)CN1CCC[C@H]1C(F)(F)F 528668968 325659616 /nfs/dbraw/zinc/65/96/16/325659616.db2.gz GPKQKVFJGHFYRA-QMMMGPOBSA-N 0 0 193.212 2.589 10 30 AFEERN CC(C)=C1CC[C@@H](C)C/C1=N\O 83816 342925884 /nfs/dbraw/zinc/92/58/84/342925884.db2.gz FXBOSCKBLTVABQ-IRXCETGXSA-N 0 0 167.252 2.973 10 30 AFEERN Cc1ccc(C[C@@H](C)C=O)c(C)c1 1589917 342949813 /nfs/dbraw/zinc/94/98/13/342949813.db2.gz ZCBYIAQXEDBIPK-SNVBAGLBSA-N 0 0 176.259 2.681 10 30 AFEERN Cc1cc(C)c(C[C@@H](C)C=O)cc1C 1589919 342950031 /nfs/dbraw/zinc/95/00/31/342950031.db2.gz GTLPUMIAMHGIOF-SECBINFHSA-N 0 0 190.286 2.989 10 30 AFEERN CCCCCC/C=C/[N+](=O)[O-] 1619044 342952161 /nfs/dbraw/zinc/95/21/61/342952161.db2.gz PGQZCAQEOAEPDW-BQYQJAHWSA-N 0 0 157.213 2.747 10 30 AFEERN C#C[C@H](O)CCCCCCCC 1691440 342959109 /nfs/dbraw/zinc/95/91/09/342959109.db2.gz ZZZWCMWSJIFAPR-NSHDSACASA-N 0 0 168.280 2.731 10 30 AFEERN CCCCC#CC(C)C 1765453 342964483 /nfs/dbraw/zinc/96/44/83/342964483.db2.gz VGZZDWCLCYQULT-UHFFFAOYSA-N 0 0 124.227 2.836 10 30 AFEERN C#C[C@@H](O)CCCCCCCC 2043936 342969278 /nfs/dbraw/zinc/96/92/78/342969278.db2.gz ZZZWCMWSJIFAPR-LLVKDONJSA-N 0 0 168.280 2.731 10 30 AFEERN Cc1cc(C)c(C[C@H](C)C=O)cc1C 2046167 342969429 /nfs/dbraw/zinc/96/94/29/342969429.db2.gz GTLPUMIAMHGIOF-VIFPVBQESA-N 0 0 190.286 2.989 10 30 AFEERN C=CCSc1ccc(OC)cc1 2166317 342970375 /nfs/dbraw/zinc/97/03/75/342970375.db2.gz IAJVECTYOITICG-UHFFFAOYSA-N 0 0 180.272 2.973 10 30 AFEERN CCCCCCCc1c(C)[nH][nH]c1=O 2148262 342969973 /nfs/dbraw/zinc/96/99/73/342969973.db2.gz QQDFYUMPZQQGTL-UHFFFAOYSA-N 0 0 196.294 2.937 10 30 AFEERN O=C(C#Cc1ccccc1)C1CCCC1 2245591 342971398 /nfs/dbraw/zinc/97/13/98/342971398.db2.gz KJTRCWKWDPQMKX-UHFFFAOYSA-N 0 0 198.265 2.797 10 30 AFEERN O=CC1(c2ccc(Cl)cc2)CCC1 2511437 342973278 /nfs/dbraw/zinc/97/32/78/342973278.db2.gz HYPLSMDRWCMCHA-UHFFFAOYSA-N 0 0 194.661 2.961 10 30 AFEERN C=C(C)C(=O)O[C@@H](C)C(C)(C)C 2571947 342977959 /nfs/dbraw/zinc/97/79/59/342977959.db2.gz RAHRPJDILCRAIC-QMMMGPOBSA-N 0 0 170.252 2.540 10 30 AFEERN CCCC[C@H](C)CC#N 2578909 342978435 /nfs/dbraw/zinc/97/84/35/342978435.db2.gz FNVNYWLQBGDZSC-QMMMGPOBSA-N 0 0 125.215 2.726 10 30 in-vitro AFEERN CC1=C(C)[C@@]2(C)C(C)(C)[C@@]2(C)C1=O 3122133 342980659 /nfs/dbraw/zinc/98/06/59/342980659.db2.gz SONHFFYISNVFJL-NWDGAFQWSA-N 0 0 178.275 2.958 10 30 AFEERN CC1=C(C)[C@]2(C)C(C)(C)[C@]2(C)C1=O 3122134 342980745 /nfs/dbraw/zinc/98/07/45/342980745.db2.gz SONHFFYISNVFJL-NEPJUHHUSA-N 0 0 178.275 2.958 10 30 AFEERN CC[C@](C)(C#N)Nc1ccccc1 3953335 342986127 /nfs/dbraw/zinc/98/61/27/342986127.db2.gz FAGMYHXNXCHFQR-LLVKDONJSA-N 0 0 174.247 2.791 10 30 AFEERN C=C(C)C[C@@H]1C[C@H](C)CC[C@H]1O 4759281 342995068 /nfs/dbraw/zinc/99/50/68/342995068.db2.gz RJWSHKYEBSYMIS-GMTAPVOTSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C[C@@H]1C[C@@H](C)CC[C@H]1O 4759282 342995088 /nfs/dbraw/zinc/99/50/88/342995088.db2.gz RJWSHKYEBSYMIS-HBNTYKKESA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C(=O)N(CC)c1ccccc1 4772979 342995235 /nfs/dbraw/zinc/99/52/35/342995235.db2.gz NIRIUIGSENVXCN-UHFFFAOYSA-N 0 0 189.258 2.616 10 30 AFEERN COc1cccc(/C=N/C(C)(C)C)c1 4800395 342995894 /nfs/dbraw/zinc/99/58/94/342995894.db2.gz ISJBBPIBIMOREO-UKTHLTGXSA-N 0 0 191.274 2.913 10 30 AFEERN CC1(C)C[C@]2(C)C[C@H]1C/C2=N\O 5003302 342997940 /nfs/dbraw/zinc/99/79/40/342997940.db2.gz IDTJZQDNQDVVPG-RZIOALPKSA-N 0 0 167.252 2.663 10 30 AFEERN CC(=O)/C=C/CCc1ccccc1 5159252 342999088 /nfs/dbraw/zinc/99/90/88/342999088.db2.gz PHEPHOADHFLZJS-FNORWQNLSA-N 0 0 174.243 2.764 10 30 endogenous,in-man AFEERN CC1(C)[C@H]2CC[C@@H](CS)[C@@H]1C2 5138357 342999176 /nfs/dbraw/zinc/99/91/76/342999176.db2.gz KJBPNJMAGDDRRN-CIUDSAMLSA-N 0 0 170.321 2.989 10 30 AFEERN O=CCC/C=C/CC/C=C/CCC=O 5178452 342999530 /nfs/dbraw/zinc/99/95/30/342999530.db2.gz CIGZZLYQLQLUQO-GGWOSOGESA-N 0 0 194.274 2.837 10 30 AFEERN C/C(=N\O)c1ccc(Cl)c(C)c1 5212282 342999824 /nfs/dbraw/zinc/99/98/24/342999824.db2.gz IATJKQVFMOCJJE-YRNVUSSQSA-N 0 0 183.638 2.847 10 30 AFEERN C[C@H]1/C(=N/O)C[C@H]2C[C@@H]1C2(C)C 5356346 343001634 /nfs/dbraw/zinc/00/16/34/343001634.db2.gz PLKZJFBLYSCGKF-IEQDEWSTSA-N 0 0 167.252 2.519 10 30 AFEERN C/C=C(\C)C(=O)c1ccccc1 5566286 343004925 /nfs/dbraw/zinc/00/49/25/343004925.db2.gz AXOYGHVXGWFROM-YCRREMRBSA-N 0 0 160.216 2.836 10 30 AFEERN CCC(C)N=Nc1ccccc1 5761793 343007987 /nfs/dbraw/zinc/00/79/87/343007987.db2.gz BPAJPMUNAALLEK-PKNBQFBNSA-N 0 0 162.236 2.884 10 30 AFEERN CC1=CC[C@H]([C@H](C)CC=O)CC1 5767135 343008200 /nfs/dbraw/zinc/00/82/00/343008200.db2.gz VJYFMQREUJXCQV-MNOVXSKESA-N 0 0 166.264 2.958 10 30 endogenous,in-man AFEERN CC1=CC[C@@H]([C@H](C)CC=O)CC1 5767269 343008267 /nfs/dbraw/zinc/00/82/67/343008267.db2.gz VJYFMQREUJXCQV-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 endogenous,in-man AFEERN CC1=CC[C@H]([C@]2(C)CO2)CC1 5767133 343008315 /nfs/dbraw/zinc/00/83/15/343008315.db2.gz PJGRMBOWSWHGDV-UWVGGRQHSA-N 0 0 152.237 2.522 10 30 AFEERN CC1=CC[C@H]([C@@H](C)CC=O)CC1 5767121 343008415 /nfs/dbraw/zinc/00/84/15/343008415.db2.gz VJYFMQREUJXCQV-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 endogenous,in-man AFEERN CC1=CC[C@H]([C@@]2(C)CO2)CC1 5767145 343008434 /nfs/dbraw/zinc/00/84/34/343008434.db2.gz PJGRMBOWSWHGDV-VHSXEESVSA-N 0 0 152.237 2.522 10 30 AFEERN CC1=CC[C@@H]([C@]2(C)CO2)CC1 5767268 343008435 /nfs/dbraw/zinc/00/84/35/343008435.db2.gz PJGRMBOWSWHGDV-ZJUUUORDSA-N 0 0 152.237 2.522 10 30 AFEERN CC1=CC[C@@H]([C@@H](C)CC=O)CC1 5767255 343008442 /nfs/dbraw/zinc/00/84/42/343008442.db2.gz VJYFMQREUJXCQV-WDEREUQCSA-N 0 0 166.264 2.958 10 30 endogenous,in-man AFEERN CCCCC/C(=N/F)N(F)F 5819943 343008543 /nfs/dbraw/zinc/00/85/43/343008543.db2.gz JKIUGGISFUBFGD-POHAHGRESA-N 0 0 168.162 2.921 10 30 AFEERN N#Cc1ccc(-c2ccccc2)cc1N 5939301 343010094 /nfs/dbraw/zinc/01/00/94/343010094.db2.gz GJYGLOUBZCWQSV-UHFFFAOYSA-N 0 0 194.237 2.807 10 30 AFEERN CN(C)/C=N/c1ccccc1Cl 5957187 343010396 /nfs/dbraw/zinc/01/03/96/343010396.db2.gz APKRGIKHQYEHGV-YRNVUSSQSA-N 0 0 182.654 2.561 10 30 AFEERN CC(C)/N=C/c1cc(Cl)ccc1O 5962443 343010558 /nfs/dbraw/zinc/01/05/58/343010558.db2.gz ZGJIQLPOMUZOHQ-WUXMJOGZSA-N 0 0 197.665 2.873 10 30 AFEERN C=C(C)[C@H]1CCC(C)(C)C(=O)[C@H]1C#N 6022359 343011212 /nfs/dbraw/zinc/01/12/12/343011212.db2.gz AEQYOGXRKORXFQ-ZJUUUORDSA-N 0 0 191.274 2.708 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1C=O 6030979 343011491 /nfs/dbraw/zinc/01/14/91/343011491.db2.gz AUABNXZOGNPUSY-OUAUKWLOSA-N 0 0 168.280 2.894 10 30 AFEERN C[C@H]1C[C@@H](C=O)CC(C)(C)C1 6066603 343011828 /nfs/dbraw/zinc/01/18/28/343011828.db2.gz XOKRGEQPFOCUDY-DTWKUNHWSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@H]1C[C@@H]2CCCCC2=CC1=O 6038001 343011904 /nfs/dbraw/zinc/01/19/04/343011904.db2.gz XOJADZURPUVMRO-IUCAKERBSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1C[C@H]2CCCCC2=CC1=O 6066676 343011950 /nfs/dbraw/zinc/01/19/50/343011950.db2.gz XOJADZURPUVMRO-DTWKUNHWSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)[C@@H]1CC(=O)[C@H](C)[C@@H](CC#N)C1 6183287 343013253 /nfs/dbraw/zinc/01/32/53/343013253.db2.gz QQPHRURVHPZOGV-VWYCJHECSA-N 0 0 191.274 2.708 10 30 AFEERN CC#CCSc1ccccc1 6820243 343016817 /nfs/dbraw/zinc/01/68/17/343016817.db2.gz HWIFKHZSFBGZSH-UHFFFAOYSA-N 0 0 162.257 2.802 10 30 AFEERN CC#CCOc1cccc2cccnc12 6820204 343016830 /nfs/dbraw/zinc/01/68/30/343016830.db2.gz BJJVCTTWFUBYJX-UHFFFAOYSA-N 0 0 197.237 2.637 10 30 AFEERN Cc1ccc(OCCS)cc1C 6858604 343016866 /nfs/dbraw/zinc/01/68/66/343016866.db2.gz OORDQAYFSNJCRA-UHFFFAOYSA-N 0 0 182.288 2.612 10 30 AFEERN C(=N/c1cccnc1)\c1ccccc1 9138582 343021120 /nfs/dbraw/zinc/02/11/20/343021120.db2.gz YPWDHECWYRGVHR-NTEUORMPSA-N 0 0 182.226 2.832 10 30 AFEERN C[C@H](C#N)Oc1ccccc1Cl 11834502 343024982 /nfs/dbraw/zinc/02/49/82/343024982.db2.gz CKBVUNOUKCRCLN-SSDOTTSWSA-N 0 0 181.622 2.631 10 30 AFEERN Cc1cc(C)c(C)c(O[C@H](C)C#N)c1 11834510 343024984 /nfs/dbraw/zinc/02/49/84/343024984.db2.gz HGXJMOJJCMNLBG-SNVBAGLBSA-N 0 0 189.258 2.903 10 30 AFEERN C[C@H](C#N)Oc1ccc(Cl)cc1 11834602 343025051 /nfs/dbraw/zinc/02/50/51/343025051.db2.gz VQMQNRPHRAGWFY-SSDOTTSWSA-N 0 0 181.622 2.631 10 30 AFEERN Cc1ccc(O[C@@H](C)C#N)cc1C 11834491 343025069 /nfs/dbraw/zinc/02/50/69/343025069.db2.gz DFGJMTRZKAJEQV-JTQLQIEISA-N 0 0 175.231 2.594 10 30 AFEERN CCc1ccccc1O[C@@H](C)C#N 11834622 343025103 /nfs/dbraw/zinc/02/51/03/343025103.db2.gz ROHJYPJSEIGHQK-VIFPVBQESA-N 0 0 175.231 2.540 10 30 AFEERN Cc1ccc(O[C@@H](C)C#N)c(C)c1 11834494 343025157 /nfs/dbraw/zinc/02/51/57/343025157.db2.gz DUPQAKDVZQOYRB-JTQLQIEISA-N 0 0 175.231 2.594 10 30 AFEERN CCc1ccccc1O[C@H](C)C#N 11834623 343025173 /nfs/dbraw/zinc/02/51/73/343025173.db2.gz ROHJYPJSEIGHQK-SECBINFHSA-N 0 0 175.231 2.540 10 30 AFEERN Cc1cc(C)c(C)c(O[C@@H](C)C#N)c1 11834512 343025199 /nfs/dbraw/zinc/02/51/99/343025199.db2.gz HGXJMOJJCMNLBG-JTQLQIEISA-N 0 0 189.258 2.903 10 30 AFEERN CC/N=C\c1c(O)ccc2ccccc12 13406278 343034637 /nfs/dbraw/zinc/03/46/37/343034637.db2.gz HPTRMLDYMAIMCF-ZROIWOOFSA-N 0 0 199.253 2.984 10 30 AFEERN C#CCCCCCCCC(=O)OC 13434150 343034711 /nfs/dbraw/zinc/03/47/11/343034711.db2.gz SXKMLYGXKLNTRS-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN CCCC[C@@H]1C=CC(=O)C=CC1 13380459 343034728 /nfs/dbraw/zinc/03/47/28/343034728.db2.gz MNURSSRQBKQLKF-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN CC[C@H](C)/C(=N/O)c1ccccc1 13466728 343035359 /nfs/dbraw/zinc/03/53/59/343035359.db2.gz ZWXGJRIWYWRUFF-ASGQQMQCSA-N 0 0 177.247 2.911 10 30 AFEERN CC[C@@H]1O[C@H]1c1ccccc1 13523657 343035602 /nfs/dbraw/zinc/03/56/02/343035602.db2.gz BAFMBHJRYJBYQD-UWVGGRQHSA-N 0 0 148.205 2.537 10 30 AFEERN CC[C@@H]1O[C@@H]1c1ccccc1 13548635 343036169 /nfs/dbraw/zinc/03/61/69/343036169.db2.gz BAFMBHJRYJBYQD-VHSXEESVSA-N 0 0 148.205 2.537 10 30 AFEERN CCC[C@@H]1O[C@H]1c1ccccc1 13551422 343036390 /nfs/dbraw/zinc/03/63/90/343036390.db2.gz VGLOFKUDCAPVAL-QWRGUYRKSA-N 0 0 162.232 2.927 10 30 AFEERN C=CC(=C)CCC(=O)C(C)C 14592341 343039346 /nfs/dbraw/zinc/03/93/46/343039346.db2.gz IYFQOCPXUHQIMN-UHFFFAOYSA-N 0 0 152.237 2.734 10 30 AFEERN CCC(=O)/C=C/CC(C)C 14592605 343039415 /nfs/dbraw/zinc/03/94/15/343039415.db2.gz JNSOSJJMBWJCEH-FNORWQNLSA-N 0 0 140.226 2.568 10 30 AFEERN CC(C)=CCC/C(C)=N/O 14591972 343039477 /nfs/dbraw/zinc/03/94/77/343039477.db2.gz UUTIAUFCXVFAOM-CMDGGOBGSA-N 0 0 141.214 2.583 10 30 AFEERN C=C(C)C(=O)O[C@H](C)C(C)(C)C 14592985 343039552 /nfs/dbraw/zinc/03/95/52/343039552.db2.gz RAHRPJDILCRAIC-MRVPVSSYSA-N 0 0 170.252 2.540 10 30 AFEERN C#CCCCCCCC[C@H](C)O 14825690 343040220 /nfs/dbraw/zinc/04/02/20/343040220.db2.gz JABCLRYFJKECEZ-NSHDSACASA-N 0 0 168.280 2.731 10 30 AFEERN C/C(CCc1ccccc1)=N\N(C)C 16978682 343045573 /nfs/dbraw/zinc/04/55/73/343045573.db2.gz NJQZGGIAEUAGQI-ACCUITESSA-N 0 0 190.290 2.557 10 30 AFEERN CCC(C)(C)Nc1ccc(C#N)cn1 19503883 343056534 /nfs/dbraw/zinc/05/65/34/343056534.db2.gz YNPSECAAVUMFIF-UHFFFAOYSA-N 0 0 189.262 2.554 10 30 AFEERN CC[C@H](C#N)c1cccs1 19728875 343059045 /nfs/dbraw/zinc/05/90/45/343059045.db2.gz PLEZZVAPAOWLIV-SSDOTTSWSA-N 0 0 151.234 2.765 10 30 AFEERN CCC(C)(C)Nc1ncccc1C#N 19802152 343060860 /nfs/dbraw/zinc/06/08/60/343060860.db2.gz LEISKORMAHACIU-UHFFFAOYSA-N 0 0 189.262 2.554 10 30 AFEERN C=C(C)C(=O)N(C)c1ccc(C)cc1 19799587 343060997 /nfs/dbraw/zinc/06/09/97/343060997.db2.gz TUDMLNSYYKMWQN-UHFFFAOYSA-N 0 0 189.258 2.534 10 30 AFEERN CC(C)(C)C#C[C@@H]1CCCC[C@H]1O 19865676 343062652 /nfs/dbraw/zinc/06/26/52/343062652.db2.gz NXDYEHPXVZAJBF-WDEREUQCSA-N 0 0 180.291 2.587 10 30 AFEERN C=CCO[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CC=C[C@H]21 19878377 343063039 /nfs/dbraw/zinc/06/30/39/343063039.db2.gz CJBBUKCSNYALMD-SYLRKERUSA-N 0 0 190.286 2.790 10 30 AFEERN CCn1ccc2c(C#N)cccc21 20215434 343069487 /nfs/dbraw/zinc/06/94/87/343069487.db2.gz WJZZIJRDXNPFNS-UHFFFAOYSA-N 0 0 170.215 2.533 10 30 AFEERN O=C1CCCC2=C1CCCC2 20918507 343074718 /nfs/dbraw/zinc/07/47/18/343074718.db2.gz ASDAEGDBNVKHND-UHFFFAOYSA-N 0 0 150.221 2.610 10 30 AFEERN CC(C)Oc1ccc([C@H]2CO2)cc1 22166284 343079805 /nfs/dbraw/zinc/07/98/05/343079805.db2.gz CSDLCRWFAMYPEB-LLVKDONJSA-N 0 0 178.231 2.545 10 30 AFEERN Cc1cc(C)c([C@@H]2CO2)c(C)c1 22210496 343080622 /nfs/dbraw/zinc/08/06/22/343080622.db2.gz WEXXWJBYFYLNTK-JTQLQIEISA-N 0 0 162.232 2.683 10 30 AFEERN Cc1cc(C)c([C@H]2CO2)c(C)c1 22210499 343080650 /nfs/dbraw/zinc/08/06/50/343080650.db2.gz WEXXWJBYFYLNTK-SNVBAGLBSA-N 0 0 162.232 2.683 10 30 AFEERN CCC(C)(C)C1CCC(N)(C#N)CC1 22220301 343081104 /nfs/dbraw/zinc/08/11/04/343081104.db2.gz YLJWVEKHLYRVOO-UHFFFAOYSA-N 0 0 194.322 2.834 10 30 AFEERN C[C@H]1CC(=O)C2=C(C1)OC(C)(C)C=C2 26897669 343090832 /nfs/dbraw/zinc/09/08/32/343090832.db2.gz QGPRNWZHXLFVBS-QMMMGPOBSA-N 0 0 192.258 2.605 10 30 AFEERN C=C(OCCCC)C1=CC(=O)CCC1 26896809 343090917 /nfs/dbraw/zinc/09/09/17/343090917.db2.gz IAYIGWQPZHVGGA-UHFFFAOYSA-N 0 0 194.274 2.996 10 30 AFEERN Cc1ccc([C@H](C)C=O)cc1C 32006095 343095651 /nfs/dbraw/zinc/09/56/51/343095651.db2.gz NDBYYXUPCHLAHB-SNVBAGLBSA-N 0 0 162.232 2.606 10 30 AFEERN Cc1cccc(N[C@@H](C)CC#N)c1 32006798 343095679 /nfs/dbraw/zinc/09/56/79/343095679.db2.gz FIVODIXKAMTYDV-JTQLQIEISA-N 0 0 174.247 2.709 10 30 AFEERN Cc1ccc(NC[C@@H](C)C#N)cc1 32006812 343095697 /nfs/dbraw/zinc/09/56/97/343095697.db2.gz ODUUDCDAOAPNEG-JTQLQIEISA-N 0 0 174.247 2.567 10 30 AFEERN Cc1cccc(N[C@H](C)CC#N)c1 32006800 343095738 /nfs/dbraw/zinc/09/57/38/343095738.db2.gz FIVODIXKAMTYDV-SNVBAGLBSA-N 0 0 174.247 2.709 10 30 AFEERN Cc1ccc(N[C@H](C)CC#N)cc1 32006803 343095739 /nfs/dbraw/zinc/09/57/39/343095739.db2.gz AWZWUBCVTGOQSK-SNVBAGLBSA-N 0 0 174.247 2.709 10 30 AFEERN C[C@H](CC#N)Nc1cccc(F)c1 32007093 343096085 /nfs/dbraw/zinc/09/60/85/343096085.db2.gz YRLSONISMWAILT-MRVPVSSYSA-N 0 0 178.210 2.540 10 30 AFEERN C[C@H](CC#N)Nc1ccccc1F 32007087 343096184 /nfs/dbraw/zinc/09/61/84/343096184.db2.gz ICWDUNFJGOESJF-MRVPVSSYSA-N 0 0 178.210 2.540 10 30 AFEERN CCc1ccc(C2=CC(=O)CC2)cc1 32007902 343096262 /nfs/dbraw/zinc/09/62/62/343096262.db2.gz GKYKIDALCKRCIZ-UHFFFAOYSA-N 0 0 186.254 2.995 10 30 AFEERN CCc1ccc(N[C@H](C)CC#N)cc1 32008132 343096285 /nfs/dbraw/zinc/09/62/85/343096285.db2.gz IOKKNMGAEDSPNE-SNVBAGLBSA-N 0 0 188.274 2.963 10 30 AFEERN Cc1ccc(NC[C@@H](C)C#N)cc1C 32008142 343096292 /nfs/dbraw/zinc/09/62/92/343096292.db2.gz GJQKWUCJEJHEPT-VIFPVBQESA-N 0 0 188.274 2.875 10 30 AFEERN Cc1ccc(NC[C@H](C)C#N)cc1C 32008140 343096303 /nfs/dbraw/zinc/09/63/03/343096303.db2.gz GJQKWUCJEJHEPT-SECBINFHSA-N 0 0 188.274 2.875 10 30 AFEERN Cc1cccc(NC[C@H](C)C#N)c1C 32008150 343096374 /nfs/dbraw/zinc/09/63/74/343096374.db2.gz KAPZCLYYCPNJME-SECBINFHSA-N 0 0 188.274 2.875 10 30 AFEERN CCc1ccccc1N[C@@H](C)CC#N 32008127 343096402 /nfs/dbraw/zinc/09/64/02/343096402.db2.gz AGRUUHDAYPHULH-JTQLQIEISA-N 0 0 188.274 2.963 10 30 AFEERN CCc1ccc(N[C@@H](C)CC#N)cc1 32008130 343096416 /nfs/dbraw/zinc/09/64/16/343096416.db2.gz IOKKNMGAEDSPNE-JTQLQIEISA-N 0 0 188.274 2.963 10 30 AFEERN Cc1ccc(NC[C@@H](C)C#N)c(C)c1 32008135 343096469 /nfs/dbraw/zinc/09/64/69/343096469.db2.gz JFPHSAVRVFLBKQ-JTQLQIEISA-N 0 0 188.274 2.875 10 30 AFEERN Cc1cccc(NC[C@@H](C)C#N)c1C 32008151 343096512 /nfs/dbraw/zinc/09/65/12/343096512.db2.gz KAPZCLYYCPNJME-VIFPVBQESA-N 0 0 188.274 2.875 10 30 AFEERN CCc1ccccc1N[C@H](C)CC#N 32008129 343096532 /nfs/dbraw/zinc/09/65/32/343096532.db2.gz AGRUUHDAYPHULH-SNVBAGLBSA-N 0 0 188.274 2.963 10 30 AFEERN Cc1c(Cl)cccc1NCCC#N 32009109 343096718 /nfs/dbraw/zinc/09/67/18/343096718.db2.gz KGIZBJLKQDEVCI-UHFFFAOYSA-N 0 0 194.665 2.974 10 30 AFEERN C[C@H](C#N)CNc1ccccc1Cl 32009123 343096741 /nfs/dbraw/zinc/09/67/41/343096741.db2.gz OROINXVAHAGRDN-MRVPVSSYSA-N 0 0 194.665 2.912 10 30 AFEERN C[C@H](C#N)CNc1ccc(Cl)cc1 32009129 343096756 /nfs/dbraw/zinc/09/67/56/343096756.db2.gz GYBOIVAFAWUXJC-MRVPVSSYSA-N 0 0 194.665 2.912 10 30 AFEERN C[C@H](C#N)CNc1cccc(Cl)c1 32009126 343096853 /nfs/dbraw/zinc/09/68/53/343096853.db2.gz YNPNPOYAJQOEQS-MRVPVSSYSA-N 0 0 194.665 2.912 10 30 AFEERN Cc1ccc(Cl)cc1NCCC#N 32009111 343096931 /nfs/dbraw/zinc/09/69/31/343096931.db2.gz XIFZOYZZWFUAQV-UHFFFAOYSA-N 0 0 194.665 2.974 10 30 AFEERN CC(C)CC(=O)C#Cc1ccccc1 32151462 343098523 /nfs/dbraw/zinc/09/85/23/343098523.db2.gz YSNUZHGXXPVDOQ-UHFFFAOYSA-N 0 0 186.254 2.653 10 30 AFEERN CC1=CC[C@@H]([C@@H](C)C=O)CC1 32152207 343098543 /nfs/dbraw/zinc/09/85/43/343098543.db2.gz UMEJBWOWZDRULR-VHSXEESVSA-N 0 0 152.237 2.568 10 30 in-man AFEERN CC1=CC[C@H]([C@@H](C)C=O)CC1 32152198 343098605 /nfs/dbraw/zinc/09/86/05/343098605.db2.gz UMEJBWOWZDRULR-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 in-man AFEERN CC1=CC[C@H]([C@H](C)C=O)CC1 32152202 343098684 /nfs/dbraw/zinc/09/86/84/343098684.db2.gz UMEJBWOWZDRULR-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 in-man AFEERN C=C[C@@H](C)CC[C@@H]1OC1(C)C 32165035 343099313 /nfs/dbraw/zinc/09/93/13/343099313.db2.gz IQTYEDULQISSGT-BDAKNGLRSA-N 0 0 154.253 2.766 10 30 AFEERN C=CCS[C@@H](C)C(C)C 32163266 343099322 /nfs/dbraw/zinc/09/93/22/343099322.db2.gz AVHRBMFFYICAIH-QMMMGPOBSA-N 0 0 144.283 2.950 10 30 AFEERN C=C[C@@H](C)CC[C@H]1OC1(C)C 32165039 343099325 /nfs/dbraw/zinc/09/93/25/343099325.db2.gz IQTYEDULQISSGT-RKDXNWHRSA-N 0 0 154.253 2.766 10 30 AFEERN C[C@@H]1CCC[C@@]2(C)C=CC(=O)C=C12 32165011 343099370 /nfs/dbraw/zinc/09/93/70/343099370.db2.gz SPNLYFPIWOEXSG-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@H](C)CC[C@H]1OC1(C)C 32165040 343099399 /nfs/dbraw/zinc/09/93/99/343099399.db2.gz IQTYEDULQISSGT-DTWKUNHWSA-N 0 0 154.253 2.766 10 30 AFEERN C=CCS[C@H](C)C(C)C 32163264 343099537 /nfs/dbraw/zinc/09/95/37/343099537.db2.gz AVHRBMFFYICAIH-MRVPVSSYSA-N 0 0 144.283 2.950 10 30 AFEERN Cc1nc(N=[N+]=[N-])sc1C 32211998 343101030 /nfs/dbraw/zinc/10/10/30/343101030.db2.gz KYHKEAJIBRHLJZ-UHFFFAOYSA-N 0 0 154.198 2.702 10 30 AFEERN C=C[C@H](C)[C@H](O)c1ccc(OC)cc1 32175507 343099721 /nfs/dbraw/zinc/09/97/21/343099721.db2.gz QQEONWFRCYNKAA-CABZTGNLSA-N 0 0 192.258 2.551 10 30 AFEERN C=C[C@@H](C)[C@H](O)c1ccc(OC)cc1 32175518 343099814 /nfs/dbraw/zinc/09/98/14/343099814.db2.gz QQEONWFRCYNKAA-SKDRFNHKSA-N 0 0 192.258 2.551 10 30 AFEERN C=C[C@H](C)[C@@H](O)c1ccc(OC)cc1 32175513 343099833 /nfs/dbraw/zinc/09/98/33/343099833.db2.gz QQEONWFRCYNKAA-JOYOIKCWSA-N 0 0 192.258 2.551 10 30 AFEERN C=CCSCCC(C)C 32183042 343100093 /nfs/dbraw/zinc/10/00/93/343100093.db2.gz HRXAJCHKZNYTMX-UHFFFAOYSA-N 0 0 144.283 2.952 10 30 AFEERN C=CCOc1ccc2ccccc2n1 32209251 343100945 /nfs/dbraw/zinc/10/09/45/343100945.db2.gz BCPYWLSHRUGNEM-UHFFFAOYSA-N 0 0 185.226 2.800 10 30 AFEERN CC(=O)c1ccc(C#N)c2ccccc12 32221453 343101311 /nfs/dbraw/zinc/10/13/11/343101311.db2.gz BTPRXQUUNYLAEO-UHFFFAOYSA-N 0 0 195.221 2.914 10 30 AFEERN C=C1CC[C@H]2C(=O)CCCC[C@@H]12 32225327 343101429 /nfs/dbraw/zinc/10/14/29/343101429.db2.gz FLBJFMPLOSSBSV-VHSXEESVSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CC[C@@H]2C(=O)CCCC[C@@H]12 32225328 343101478 /nfs/dbraw/zinc/10/14/78/343101478.db2.gz FLBJFMPLOSSBSV-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CC[C@H]2C(=O)CCCC[C@H]12 32225325 343101689 /nfs/dbraw/zinc/10/16/89/343101689.db2.gz FLBJFMPLOSSBSV-NXEZZACHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CC[C@@H]2C(=O)CCCC[C@H]12 32225326 343101705 /nfs/dbraw/zinc/10/17/05/343101705.db2.gz FLBJFMPLOSSBSV-ZJUUUORDSA-N 0 0 164.248 2.712 10 30 AFEERN CCc1nc2ccc(C#N)cc2s1 32297490 343102015 /nfs/dbraw/zinc/10/20/15/343102015.db2.gz RTRRDOOYJQCUQJ-UHFFFAOYSA-N 0 0 188.255 2.730 10 30 AFEERN C=C(C)[C@@H]1CC=C(C)C(=O)[C@H]1C 32302695 343102190 /nfs/dbraw/zinc/10/21/90/343102190.db2.gz HDVXRNIZHQRLBD-UWVGGRQHSA-N 0 0 164.248 2.734 10 30 AFEERN Nc1ccccc1/N=C/c1ccco1 32703931 343103294 /nfs/dbraw/zinc/10/32/94/343103294.db2.gz OOMNWULKFVHYMZ-MDWZMJQESA-N 0 0 186.214 2.612 10 30 AFEERN Cc1ccc(C(=O)C[C@@H](C)C#N)cc1 33426688 343104571 /nfs/dbraw/zinc/10/45/71/343104571.db2.gz MQJZPLQDJYHPIF-SNVBAGLBSA-N 0 0 187.242 2.728 10 30 AFEERN Cc1ccc(C(=O)[C@H](C)CC#N)cc1 33426630 343104628 /nfs/dbraw/zinc/10/46/28/343104628.db2.gz UOZDCPBRDBVWRK-SNVBAGLBSA-N 0 0 187.242 2.728 10 30 AFEERN Cc1ccc(C(=O)C[C@H](C)C#N)cc1 33426687 343104764 /nfs/dbraw/zinc/10/47/64/343104764.db2.gz MQJZPLQDJYHPIF-JTQLQIEISA-N 0 0 187.242 2.728 10 30 AFEERN C[C@H](C=O)[C@@H](C)c1ccccc1 33638527 343105747 /nfs/dbraw/zinc/10/57/47/343105747.db2.gz SMEMYAIGCRAVQX-NXEZZACHSA-N 0 0 162.232 2.625 10 30 AFEERN C[C@H](c1ccccc1)[C@@H](C)C=O 33638528 343105912 /nfs/dbraw/zinc/10/59/12/343105912.db2.gz SMEMYAIGCRAVQX-UWVGGRQHSA-N 0 0 162.232 2.625 10 30 AFEERN CCCCC(C)(C)C#N 33687866 343106329 /nfs/dbraw/zinc/10/63/29/343106329.db2.gz ALPYASKKLVCYNW-UHFFFAOYSA-N 0 0 124.207 2.541 10 30 AFEERN CC/C=C/C(=O)CCCC 33842413 343107240 /nfs/dbraw/zinc/10/72/40/343107240.db2.gz FRMKAKWKXLDSSR-FNORWQNLSA-N 0 0 140.226 2.712 10 30 in-man AFEERN C[C@@H]1C[C@H]2O[C@H]2c2ccccc21 34060564 343109482 /nfs/dbraw/zinc/10/94/82/343109482.db2.gz IZNGDDRULOMPPT-ONOSFVFSSA-N 0 0 160.216 2.634 10 30 AFEERN C=C(C)[C@H]1CC(=O)[C@@H](C)[C@H](C)C1 34104229 343110491 /nfs/dbraw/zinc/11/04/91/343110491.db2.gz PDQZUYSZUDHVRQ-KXUCPTDWSA-N 0 0 166.264 2.814 10 30 AFEERN CC(=O)C=C1CCC(C)CC1 34102217 343110567 /nfs/dbraw/zinc/11/05/67/343110567.db2.gz LKBDIXOCYYCIQO-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)[C@H]1CC(=O)[C@H](C)[C@H](C)C1 34104228 343110637 /nfs/dbraw/zinc/11/06/37/343110637.db2.gz PDQZUYSZUDHVRQ-OPRDCNLKSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)[C@@H](C=O)Cc1ccccc1 34140139 343111600 /nfs/dbraw/zinc/11/16/00/343111600.db2.gz GDYFTBPYBQUEOT-GFCCVEGCSA-N 0 0 176.259 2.700 10 30 AFEERN CC(C)CC1=CCCCC1=O 34156123 343112087 /nfs/dbraw/zinc/11/20/87/343112087.db2.gz KBBPYOTVCICPTN-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN N#CC[C@H](O)c1ccc2ccccc2c1 34183854 343112824 /nfs/dbraw/zinc/11/28/24/343112824.db2.gz MHUBDEWQYBFREA-ZDUSSCGKSA-N 0 0 197.237 2.787 10 30 AFEERN C#C[C@@H](O)C/C=C\CCCCC 34206242 343113664 /nfs/dbraw/zinc/11/36/64/343113664.db2.gz BTXDZAHJSMJEOX-TYBABMIJSA-N 0 0 166.264 2.507 10 30 AFEERN C#C[C@H](O)C/C=C\CCCCC 34206243 343113814 /nfs/dbraw/zinc/11/38/14/343113814.db2.gz BTXDZAHJSMJEOX-IQQGHNRFSA-N 0 0 166.264 2.507 10 30 AFEERN C[C@H](C#N)C(=O)c1ccc(Cl)cc1 34226852 343114224 /nfs/dbraw/zinc/11/42/24/343114224.db2.gz IDKINCLRNZKFSI-SSDOTTSWSA-N 0 0 193.633 2.682 10 30 AFEERN C[C@H](C=O)SC1CCCCC1 34252974 343114617 /nfs/dbraw/zinc/11/46/17/343114617.db2.gz SGMLPZVHBWLXEA-MRVPVSSYSA-N 0 0 172.293 2.640 10 30 AFEERN C=C(C)CCC(C)(C)C#N 34354554 343117139 /nfs/dbraw/zinc/11/71/39/343117139.db2.gz UISVVEJXBLDQHO-UHFFFAOYSA-N 0 0 137.226 2.892 10 30 AFEERN C=C(Cl)Cc1cc(F)ccc1O 34371880 343117698 /nfs/dbraw/zinc/11/76/98/343117698.db2.gz UJAJBDHNZJKCDD-UHFFFAOYSA-N 0 0 186.613 2.826 10 30 AFEERN C=C1CC(C)(C)c2ccc(N)cc21 34406280 343118083 /nfs/dbraw/zinc/11/80/83/343118083.db2.gz PGVXTMJBSCEFFT-UHFFFAOYSA-N 0 0 173.259 2.963 10 30 AFEERN C=CC[C@H](c1ccccc1)[C@@H](C)O 34402042 343118091 /nfs/dbraw/zinc/11/80/91/343118091.db2.gz GZHVHEZCHNQOAR-PWSUYJOCSA-N 0 0 176.259 2.727 10 30 AFEERN C=CC[C@H](c1ccccc1)[C@H](C)O 34402040 343118139 /nfs/dbraw/zinc/11/81/39/343118139.db2.gz GZHVHEZCHNQOAR-JQWIXIFHSA-N 0 0 176.259 2.727 10 30 AFEERN C=CC[C@@H](c1ccccc1)[C@@H](C)O 34402038 343118257 /nfs/dbraw/zinc/11/82/57/343118257.db2.gz GZHVHEZCHNQOAR-ZYHUDNBSSA-N 0 0 176.259 2.727 10 30 AFEERN C=CC[C@@H](c1ccccc1)[C@H](C)O 34402036 343118259 /nfs/dbraw/zinc/11/82/59/343118259.db2.gz GZHVHEZCHNQOAR-CMPLNLGQSA-N 0 0 176.259 2.727 10 30 AFEERN CC1(C)C=Cc2cc(C#N)ccc2C1=O 34412556 343118628 /nfs/dbraw/zinc/11/86/28/343118628.db2.gz HNJAVMPQVNBBDK-UHFFFAOYSA-N 0 0 197.237 2.794 10 30 AFEERN CC1(C)CCc2cc(C#N)ccc2C1=O 34412545 343118684 /nfs/dbraw/zinc/11/86/84/343118684.db2.gz MWKDZSYRBOUYPS-UHFFFAOYSA-N 0 0 199.253 2.713 10 30 AFEERN Cc1cc(C)c(CC#N)c(C)c1CC#N 34480746 343120141 /nfs/dbraw/zinc/12/01/41/343120141.db2.gz MUYZQKWYTIHYFR-UHFFFAOYSA-N 0 0 198.269 2.744 10 30 AFEERN CCCC#Cc1ccc(OC)cc1 34479407 343120170 /nfs/dbraw/zinc/12/01/70/343120170.db2.gz YKPBDKUWBHMBCB-UHFFFAOYSA-N 0 0 174.243 2.847 10 30 AFEERN Cc1ccc2c(c1)CCC(CC=O)=C2 34500492 343120644 /nfs/dbraw/zinc/12/06/44/343120644.db2.gz MXBQNGMSEBAKIT-UHFFFAOYSA-N 0 0 186.254 2.914 10 30 AFEERN C=CCOP(=O)(C=C)OCC=C 34514149 343120664 /nfs/dbraw/zinc/12/06/64/343120664.db2.gz YPIICIGIYMCLPJ-UHFFFAOYSA-N 0 0 188.163 2.728 10 30 AFEERN C=C[C@H](C)[C@@H](O)C1CCCCC1 34540369 343121388 /nfs/dbraw/zinc/12/13/88/343121388.db2.gz DTRSBSFLBIIIIC-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN N#CC1(c2c[nH]c3ccccc23)CC1 34541986 343121452 /nfs/dbraw/zinc/12/14/52/343121452.db2.gz QURNDJMKRAFDHE-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN Cc1ccc(-c2ncccc2C#N)cc1 34541285 343121470 /nfs/dbraw/zinc/12/14/70/343121470.db2.gz WKYMCASWMULILP-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CCCCC#Cc1cccnc1 34541245 343121479 /nfs/dbraw/zinc/12/14/79/343121479.db2.gz UYYFVVKGFWYLGM-UHFFFAOYSA-N 0 0 159.232 2.623 10 30 AFEERN C=C[C@@](C)(CO)CCC=C(C)C 34545751 343121513 /nfs/dbraw/zinc/12/15/13/343121513.db2.gz DREYBWCZMNKFAO-LLVKDONJSA-N 0 0 168.280 2.917 10 30 AFEERN O/N=C/c1ccc(-c2cccnc2)cc1 34566028 343121846 /nfs/dbraw/zinc/12/18/46/343121846.db2.gz XPUDQKNTOOWINE-RIYZIHGNSA-N 0 0 198.225 2.557 10 30 AFEERN CC(C)[C@@H](C#N)C(=O)c1ccccc1 34583260 343122571 /nfs/dbraw/zinc/12/25/71/343122571.db2.gz ABDAVEXHUNVRLE-LLVKDONJSA-N 0 0 187.242 2.665 10 30 AFEERN CC(C)[C@H](C#N)C(=O)c1ccccc1 34583262 343122666 /nfs/dbraw/zinc/12/26/66/343122666.db2.gz ABDAVEXHUNVRLE-NSHDSACASA-N 0 0 187.242 2.665 10 30 AFEERN C[C@@H](C=O)/C=C/c1ccccc1 34599133 343123066 /nfs/dbraw/zinc/12/30/66/343123066.db2.gz WWKYHTRCYYCAPU-QROSGCPLSA-N 0 0 160.216 2.535 10 30 AFEERN C=C[C@H](OC(=O)OC)c1ccccc1 34596956 343123097 /nfs/dbraw/zinc/12/30/97/343123097.db2.gz IGJCFANLTFTISG-JTQLQIEISA-N 0 0 192.214 2.697 10 30 AFEERN C[C@H](C=O)/C=C/c1ccccc1 34599132 343123114 /nfs/dbraw/zinc/12/31/14/343123114.db2.gz WWKYHTRCYYCAPU-JARNTUPDSA-N 0 0 160.216 2.535 10 30 AFEERN CC#CCSCCc1ccccc1 34596934 343123211 /nfs/dbraw/zinc/12/32/11/343123211.db2.gz IZGNHBBLGLWQAU-UHFFFAOYSA-N 0 0 190.311 2.986 10 30 AFEERN CCCC#Cc1cccc(OC)c1 34599302 343123223 /nfs/dbraw/zinc/12/32/23/343123223.db2.gz QNAVHKQZVKQPHI-UHFFFAOYSA-N 0 0 174.243 2.847 10 30 AFEERN C#CC1(OCC=C)CCCCC1 34617919 343123540 /nfs/dbraw/zinc/12/35/40/343123540.db2.gz WNYDQGSRAIRCQE-UHFFFAOYSA-N 0 0 164.248 2.525 10 30 AFEERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC#N 34618964 343123718 /nfs/dbraw/zinc/12/37/18/343123718.db2.gz LQGJYDISZJRZPB-GRYCIOLGSA-N 0 0 195.306 2.987 10 30 AFEERN C=CC[C@@](C)(O)CCCC 34621660 343123724 /nfs/dbraw/zinc/12/37/24/343123724.db2.gz IHBUZZYYHXJOSE-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC#N 34618959 343123763 /nfs/dbraw/zinc/12/37/63/343123763.db2.gz LQGJYDISZJRZPB-IJLUTSLNSA-N 0 0 195.306 2.987 10 30 AFEERN C=CCOCc1ccc(F)cc1 34621882 343123802 /nfs/dbraw/zinc/12/38/02/343123802.db2.gz NVNBUELHUISUCG-UHFFFAOYSA-N 0 0 166.195 2.528 10 30 AFEERN C=CC(=C)[C@@H](O)C1CCCCC1 34621896 343123818 /nfs/dbraw/zinc/12/38/18/343123818.db2.gz CBPKITKNRGSKPI-LLVKDONJSA-N 0 0 166.264 2.670 10 30 AFEERN O=C1C=C[C@@H](c2ccccc2)CC1 34622004 343123855 /nfs/dbraw/zinc/12/38/55/343123855.db2.gz IMZKNYVHHFRIMH-LLVKDONJSA-N 0 0 172.227 2.689 10 30 AFEERN Cc1ccc(F)cc1C(C)(C)C=O 34769092 343125135 /nfs/dbraw/zinc/12/51/35/343125135.db2.gz AIHBPTWEQLZXKN-UHFFFAOYSA-N 0 0 180.222 2.611 10 30 AFEERN Cc1ccc(F)cc1C(C)(C)C#N 34769090 343125226 /nfs/dbraw/zinc/12/52/26/343125226.db2.gz IEFAQDLMDRYGDV-UHFFFAOYSA-N 0 0 177.222 2.935 10 30 AFEERN C=C[C@H](F)COCc1ccccc1 34826116 343125511 /nfs/dbraw/zinc/12/55/11/343125511.db2.gz CUINQSQYLRMZMQ-NSHDSACASA-N 0 0 180.222 2.727 10 30 AFEERN C[C@H]1C[C@H](OCC#N)CC(C)(C)C1 34958257 343126232 /nfs/dbraw/zinc/12/62/32/343126232.db2.gz FFVCKBGUHXCQFZ-UWVGGRQHSA-N 0 0 181.279 2.741 10 30 AFEERN CCCNC1(C#N)CCC(CC)CC1 34939521 343126261 /nfs/dbraw/zinc/12/62/61/343126261.db2.gz JUZRBAYAHVERKR-UHFFFAOYSA-N 0 0 194.322 2.849 10 30 AFEERN C[C@H]1C[C@@H](OCC#N)CC(C)(C)C1 34958259 343126278 /nfs/dbraw/zinc/12/62/78/343126278.db2.gz FFVCKBGUHXCQFZ-VHSXEESVSA-N 0 0 181.279 2.741 10 30 AFEERN C[C@H]1CC=CC[C@H]1COCCC#N 34958458 343126369 /nfs/dbraw/zinc/12/63/69/343126369.db2.gz IXYYHKNPGWPCFF-QWRGUYRKSA-N 0 0 179.263 2.519 10 30 AFEERN CCCNC1(C#N)CCCCCC1 34939507 343126455 /nfs/dbraw/zinc/12/64/55/343126455.db2.gz ZIWJDOOAAKOJFV-UHFFFAOYSA-N 0 0 180.295 2.603 10 30 AFEERN CC1(C)C[C@H]2O[C@H]2c2ccccc21 34963774 343126734 /nfs/dbraw/zinc/12/67/34/343126734.db2.gz SQFWJPCNZUITHF-MNOVXSKESA-N 0 0 174.243 2.808 10 30 AFEERN CC[C@H](C)n1c(C)c(C)c(C#N)c1N 34976251 343126937 /nfs/dbraw/zinc/12/69/37/343126937.db2.gz NHDNXELERLLISZ-ZETCQYMHSA-N 0 0 191.278 2.530 10 30 AFEERN CCCCSc1ccc(C#N)cn1 35176019 343129336 /nfs/dbraw/zinc/12/93/36/343129336.db2.gz DGXYOQAEAUKCPI-UHFFFAOYSA-N 0 0 192.287 2.845 10 30 AFEERN C[C@H]1C=C[C@H]2CCCC[C@@H]2[C@H]1C=O 35962297 343139988 /nfs/dbraw/zinc/13/99/88/343139988.db2.gz NJWBSBXNPXUFOL-USZNOCQGSA-N 0 0 178.275 2.814 10 30 AFEERN Cc1cc(C)c([C@H](C)C=O)c(C)c1 36156290 343140710 /nfs/dbraw/zinc/14/07/10/343140710.db2.gz XVHRMXVOEASTFV-LLVKDONJSA-N 0 0 176.259 2.914 10 30 AFEERN Cc1ccc([C@H](C)C=O)c(C)c1 36156204 343140727 /nfs/dbraw/zinc/14/07/27/343140727.db2.gz BIGVJTXTQGHWKY-SNVBAGLBSA-N 0 0 162.232 2.606 10 30 AFEERN Cc1ccc([C@]2(C)CO2)c(C)c1 36156206 343140749 /nfs/dbraw/zinc/14/07/49/343140749.db2.gz KIYQSOZXFHEHDH-NSHDSACASA-N 0 0 162.232 2.549 10 30 AFEERN Cc1ccc([C@@H](C)C=O)c(C)c1 36156202 343140795 /nfs/dbraw/zinc/14/07/95/343140795.db2.gz BIGVJTXTQGHWKY-JTQLQIEISA-N 0 0 162.232 2.606 10 30 AFEERN Cc1ccc([C@@]2(C)CO2)c(C)c1 36156208 343140894 /nfs/dbraw/zinc/14/08/94/343140894.db2.gz KIYQSOZXFHEHDH-LLVKDONJSA-N 0 0 162.232 2.549 10 30 AFEERN Cc1cc(C)c([C@@H](C)C=O)c(C)c1 36156288 343140972 /nfs/dbraw/zinc/14/09/72/343140972.db2.gz XVHRMXVOEASTFV-NSHDSACASA-N 0 0 176.259 2.914 10 30 AFEERN CC(C)Oc1ccc(C#N)cc1Cl 36198577 343141590 /nfs/dbraw/zinc/14/15/90/343141590.db2.gz LEJWXCQABFWGER-UHFFFAOYSA-N 0 0 195.649 2.999 10 30 AFEERN Cc1cc(C)cc(CCC#N)c1 36203725 343141681 /nfs/dbraw/zinc/14/16/81/343141681.db2.gz ZWTRLDMHBYMRKN-UHFFFAOYSA-N 0 0 159.232 2.760 10 30 AFEERN CC(C)Oc1ccc(Cl)cc1C#N 36193311 343141690 /nfs/dbraw/zinc/14/16/90/343141690.db2.gz HYEGQQVEKMESNZ-UHFFFAOYSA-N 0 0 195.649 2.999 10 30 AFEERN C=CC[C@@H](OC(C)=O)c1cccs1 36372816 343144571 /nfs/dbraw/zinc/14/45/71/343144571.db2.gz ZFYRSTOWLCYESN-SECBINFHSA-N 0 0 196.271 2.928 10 30 AFEERN C=C(Cl)CC1(O)CCCCC1 36404394 343145025 /nfs/dbraw/zinc/14/50/25/343145025.db2.gz SIQFJEAXGUQUSJ-UHFFFAOYSA-N 0 0 174.671 2.824 10 30 AFEERN CCCCC[C@H](C=O)CC 36419684 343145121 /nfs/dbraw/zinc/14/51/21/343145121.db2.gz XGFJTLRIXGSGFE-SECBINFHSA-N 0 0 142.242 2.792 10 30 AFEERN C=CCOc1ccc(C=C)cc1 36419824 343145226 /nfs/dbraw/zinc/14/52/26/343145226.db2.gz ZSZUAWYMYCAJNX-UHFFFAOYSA-N 0 0 160.216 2.894 10 30 AFEERN Cc1ccc([C@@H]2OCC[C@H]2C#N)cc1 36437079 343145256 /nfs/dbraw/zinc/14/52/56/343145256.db2.gz FVCKRICSVVBWBS-RYUDHWBXSA-N 0 0 187.242 2.596 10 30 AFEERN CCCCC[C@@H](C=O)CC 36419685 343145310 /nfs/dbraw/zinc/14/53/10/343145310.db2.gz XGFJTLRIXGSGFE-VIFPVBQESA-N 0 0 142.242 2.792 10 30 AFEERN Cc1cccc([C@H]2CC(=O)C=CO2)c1 36437091 343145316 /nfs/dbraw/zinc/14/53/16/343145316.db2.gz WXLAYSQZJCFZHH-GFCCVEGCSA-N 0 0 188.226 2.539 10 30 AFEERN CC/C=N/OCc1ccccc1 36437810 343145544 /nfs/dbraw/zinc/14/55/44/343145544.db2.gz MOXRPDYXBJFKCX-DHZHZOJOSA-N 0 0 163.220 2.599 10 30 AFEERN C=CC[C@@H]1CCC[C@@]1(O)C(=C)C 36448053 343145677 /nfs/dbraw/zinc/14/56/77/343145677.db2.gz ZGMQDOYNNIAPAE-GHMZBOCLSA-N 0 0 166.264 2.670 10 30 AFEERN C=CCOC1CCCCC1 36447820 343145659 /nfs/dbraw/zinc/14/56/59/343145659.db2.gz CDXZRBLOGJXGTN-UHFFFAOYSA-N 0 0 140.226 2.522 10 30 AFEERN C=C(C)[C@@H]1CC=C(C)C(=O)[C@@H]1C 36448028 343145774 /nfs/dbraw/zinc/14/57/74/343145774.db2.gz HDVXRNIZHQRLBD-ZJUUUORDSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@H](C#N)CNc1ccc(F)cc1F 36668965 343147093 /nfs/dbraw/zinc/14/70/93/343147093.db2.gz YCMINQSADWJGIE-SSDOTTSWSA-N 0 0 196.200 2.536 10 30 AFEERN Cc1ccc(F)cc1NC[C@@H](C)C#N 36668973 343147160 /nfs/dbraw/zinc/14/71/60/343147160.db2.gz XBNWSLKPYUJRQV-QMMMGPOBSA-N 0 0 192.237 2.706 10 30 AFEERN C[C@H](C#N)CNc1cc(F)cc(F)c1 36669018 343147217 /nfs/dbraw/zinc/14/72/17/343147217.db2.gz WWLSAUMCGLQOSJ-SSDOTTSWSA-N 0 0 196.200 2.536 10 30 AFEERN Cc1ccc(F)cc1NC[C@H](C)C#N 36668975 343147342 /nfs/dbraw/zinc/14/73/42/343147342.db2.gz XBNWSLKPYUJRQV-MRVPVSSYSA-N 0 0 192.237 2.706 10 30 AFEERN CC[C@H](CC#N)Nc1ccc(F)cc1 36679704 343147534 /nfs/dbraw/zinc/14/75/34/343147534.db2.gz QUDJCBZFFYCDMH-SNVBAGLBSA-N 0 0 192.237 2.930 10 30 AFEERN CC[C@@H](CC#N)Nc1cccc(F)c1 36679635 343147662 /nfs/dbraw/zinc/14/76/62/343147662.db2.gz DQQYNNLRQONBKV-JTQLQIEISA-N 0 0 192.237 2.930 10 30 AFEERN CC[C@@H](CC#N)Nc1ccc(F)cc1 36679703 343147781 /nfs/dbraw/zinc/14/77/81/343147781.db2.gz QUDJCBZFFYCDMH-JTQLQIEISA-N 0 0 192.237 2.930 10 30 AFEERN Cc1ccc(NCCC#N)c(Cl)c1 36723423 343148093 /nfs/dbraw/zinc/14/80/93/343148093.db2.gz KKINQTSYVPGQLF-UHFFFAOYSA-N 0 0 194.665 2.974 10 30 AFEERN N#CCCNc1ccc(F)cc1Cl 36723438 343148608 /nfs/dbraw/zinc/14/86/08/343148608.db2.gz CDPOEXMJLRHUKQ-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN N#CCCNc1cccc(Cl)c1F 36723458 343148654 /nfs/dbraw/zinc/14/86/54/343148654.db2.gz IWZQCEDYQYWRLM-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN C=CCCOc1ccc(C#N)cc1F 36886916 343152754 /nfs/dbraw/zinc/15/27/54/343152754.db2.gz GFGMJSXTBLNNND-UHFFFAOYSA-N 0 0 191.205 2.652 10 30 AFEERN C#CCOc1cc2ccccc2cc1O 36897025 343153479 /nfs/dbraw/zinc/15/34/79/343153479.db2.gz PYPJCJNUZNKYFO-UHFFFAOYSA-N 0 0 198.221 2.557 10 30 AFEERN CC[C@H](C#N)C(=O)c1ccccc1C 36916039 343154232 /nfs/dbraw/zinc/15/42/32/343154232.db2.gz FUUVRDGWEQTRMP-SNVBAGLBSA-N 0 0 187.242 2.728 10 30 AFEERN CC[C@H](C#N)C(=O)C1CCCCC1 36916091 343154234 /nfs/dbraw/zinc/15/42/34/343154234.db2.gz MDRDYDNKXZGBFN-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@H](C#N)C(=O)c1cc(C)oc1C 36915897 343154262 /nfs/dbraw/zinc/15/42/62/343154262.db2.gz MZZQWECZOHKNDR-SECBINFHSA-N 0 0 191.230 2.629 10 30 AFEERN CC[C@H](C#N)C(=O)c1cccc(F)c1 36916047 343154356 /nfs/dbraw/zinc/15/43/56/343154356.db2.gz AKMSICHXMYQEQO-MRVPVSSYSA-N 0 0 191.205 2.558 10 30 AFEERN CC[C@H](C#N)C(=O)c1ccccc1F 36916023 343154398 /nfs/dbraw/zinc/15/43/98/343154398.db2.gz QHAYWWGWIHMITH-MRVPVSSYSA-N 0 0 191.205 2.558 10 30 AFEERN CC[C@H](C#N)C(=O)c1ccc(C)s1 36915989 343154420 /nfs/dbraw/zinc/15/44/20/343154420.db2.gz JXYOXKSLPODWSM-MRVPVSSYSA-N 0 0 193.271 2.789 10 30 AFEERN CC(C)NC1(C#N)CCCCCC1 36924676 343154677 /nfs/dbraw/zinc/15/46/77/343154677.db2.gz YZNLXLPFHGAEIE-UHFFFAOYSA-N 0 0 180.295 2.601 10 30 AFEERN CCC1CCC(C#N)(NC(C)C)CC1 36924731 343154794 /nfs/dbraw/zinc/15/47/94/343154794.db2.gz CDGYMFRJTQPJKB-UHFFFAOYSA-N 0 0 194.322 2.847 10 30 AFEERN CCc1ccc(C(=O)[C@@H](C)C#N)cc1 36935072 343155101 /nfs/dbraw/zinc/15/51/01/343155101.db2.gz PWRCNPCAMFDADB-VIFPVBQESA-N 0 0 187.242 2.591 10 30 AFEERN Cc1ccc(C)c(C(=O)[C@@H](C)C#N)c1 36935085 343155027 /nfs/dbraw/zinc/15/50/27/343155027.db2.gz BOFZHNIYXHOBQG-JTQLQIEISA-N 0 0 187.242 2.646 10 30 AFEERN C[C@H](C#N)C(=O)c1ccccc1Cl 36935058 343155062 /nfs/dbraw/zinc/15/50/62/343155062.db2.gz SXVLNHXCDBCTDA-SSDOTTSWSA-N 0 0 193.633 2.682 10 30 AFEERN CCc1ccc(C(=O)[C@H](C)C#N)cc1 36935074 343155098 /nfs/dbraw/zinc/15/50/98/343155098.db2.gz PWRCNPCAMFDADB-SECBINFHSA-N 0 0 187.242 2.591 10 30 AFEERN Cc1ccc(NC[C@H](C)C#N)cc1F 36985011 343156640 /nfs/dbraw/zinc/15/66/40/343156640.db2.gz QSZOMQWXVFJPRZ-MRVPVSSYSA-N 0 0 192.237 2.706 10 30 AFEERN Cc1ccc(NC[C@@H](C)C#N)cc1F 36985010 343156912 /nfs/dbraw/zinc/15/69/12/343156912.db2.gz QSZOMQWXVFJPRZ-QMMMGPOBSA-N 0 0 192.237 2.706 10 30 AFEERN C[C@H](C#N)CSC(C)(C)C 36984866 343156914 /nfs/dbraw/zinc/15/69/14/343156914.db2.gz VCSBNNYJNSRINE-SSDOTTSWSA-N 0 0 157.282 2.678 10 30 AFEERN C[C@H](C#N)CSc1cccs1 36986693 343156954 /nfs/dbraw/zinc/15/69/54/343156954.db2.gz YGYGUIOZSUSWIF-SSDOTTSWSA-N 0 0 183.301 3.000 10 30 AFEERN CCc1cc(OCC#N)ccc1Cl 37022109 343157326 /nfs/dbraw/zinc/15/73/26/343157326.db2.gz IYOHJYNBGYMITB-UHFFFAOYSA-N 0 0 195.649 2.805 10 30 AFEERN CC[C@H](C)Nc1ccc(CC#N)cc1 37071395 343157897 /nfs/dbraw/zinc/15/78/97/343157897.db2.gz IWTCTWHZADCSCO-JTQLQIEISA-N 0 0 188.274 2.963 10 30 AFEERN Cc1c(F)cc(C#N)cc1NC(C)C 37089349 343159248 /nfs/dbraw/zinc/15/92/48/343159248.db2.gz VXYCHHMGBNNJAQ-UHFFFAOYSA-N 0 0 192.237 2.826 10 30 AFEERN CCc1ccc([C@@H]2O[C@H]2C)cc1 37224321 343162621 /nfs/dbraw/zinc/16/26/21/343162621.db2.gz AOTVDYPAAKMGNK-GZMMTYOYSA-N 0 0 162.232 2.709 10 30 AFEERN CCc1ccc([C@@H]2O[C@@H]2C)cc1 37224323 343162702 /nfs/dbraw/zinc/16/27/02/343162702.db2.gz AOTVDYPAAKMGNK-LDYMZIIASA-N 0 0 162.232 2.709 10 30 AFEERN Cc1ccc([C@H](C)C#N)c(C)c1 37245451 343163754 /nfs/dbraw/zinc/16/37/54/343163754.db2.gz FVFZMEKGYKBQTR-SNVBAGLBSA-N 0 0 159.232 2.931 10 30 AFEERN Cc1cccc([C@@H](C)NCCC#N)c1 37240254 343163796 /nfs/dbraw/zinc/16/37/96/343163796.db2.gz ZHGGGJBJKVGMOV-LLVKDONJSA-N 0 0 188.274 2.559 10 30 AFEERN CC(C)N[C@@](C)(C#N)C1CCCCC1 37367015 343166402 /nfs/dbraw/zinc/16/64/02/343166402.db2.gz YKUBCYPMSVNWSB-LBPRGKRZSA-N 0 0 194.322 2.847 10 30 AFEERN C[C@](C#N)(NC1CC1)C1CCCCC1 37367019 343166523 /nfs/dbraw/zinc/16/65/23/343166523.db2.gz GBAFCBKZWLNLRG-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN CC(C)N[C@](C)(C#N)C1CCCCC1 37367017 343166556 /nfs/dbraw/zinc/16/65/56/343166556.db2.gz YKUBCYPMSVNWSB-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN OCCC#Cc1cccc2ccccc12 37470406 343169883 /nfs/dbraw/zinc/16/98/83/343169883.db2.gz IVFBJLHDTBIBCJ-UHFFFAOYSA-N 0 0 196.249 2.574 10 30 AFEERN CC(C)Nc1ccc(C#N)cc1F 37507364 343172335 /nfs/dbraw/zinc/17/23/35/343172335.db2.gz IUBHDVFDUKSMEN-UHFFFAOYSA-N 0 0 178.210 2.518 10 30 AFEERN CC[C@H](C#N)C(=O)c1ccc(C)cc1 37507699 343172489 /nfs/dbraw/zinc/17/24/89/343172489.db2.gz UIPYZZYXJDTIAJ-SNVBAGLBSA-N 0 0 187.242 2.728 10 30 AFEERN CCC(=O)c1c[nH]c2ccc(C#N)cc12 37632625 343172907 /nfs/dbraw/zinc/17/29/07/343172907.db2.gz DCAIVASWKPENIL-UHFFFAOYSA-N 0 0 198.225 2.632 10 30 AFEERN CC(C)Sc1ccc(C#N)cc1N 37685017 343173699 /nfs/dbraw/zinc/17/36/99/343173699.db2.gz ZEJOYKXDVAEFNC-UHFFFAOYSA-N 0 0 192.287 2.641 10 30 AFEERN CC(C)S[C@@H]1CCC[C@@H]1C#N 37685682 343174063 /nfs/dbraw/zinc/17/40/63/343174063.db2.gz CIRVUTAGXFBYOG-RKDXNWHRSA-N 0 0 169.293 2.820 10 30 AFEERN CC(C)S[C@@H]1CCC[C@H]1C#N 37685686 343174140 /nfs/dbraw/zinc/17/41/40/343174140.db2.gz CIRVUTAGXFBYOG-DTWKUNHWSA-N 0 0 169.293 2.820 10 30 AFEERN CC(C)S[C@H]1CCC[C@H]1C#N 37685688 343174143 /nfs/dbraw/zinc/17/41/43/343174143.db2.gz CIRVUTAGXFBYOG-IUCAKERBSA-N 0 0 169.293 2.820 10 30 AFEERN CC(C)S[C@H]1CCC[C@@H]1C#N 37685684 343174179 /nfs/dbraw/zinc/17/41/79/343174179.db2.gz CIRVUTAGXFBYOG-BDAKNGLRSA-N 0 0 169.293 2.820 10 30 AFEERN CCSc1ccc(C#N)cc1C 37733104 343176791 /nfs/dbraw/zinc/17/67/91/343176791.db2.gz HAHATRAGCPOEEN-UHFFFAOYSA-N 0 0 177.272 2.979 10 30 AFEERN CCCC1CCC(C#N)(N(C)C)CC1 37743290 343177044 /nfs/dbraw/zinc/17/70/44/343177044.db2.gz JULXKZNOWFUUGY-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN C[C@H](C#N)Nc1ccccc1Cl 37853320 343178692 /nfs/dbraw/zinc/17/86/92/343178692.db2.gz VRDUGEALWXSYTO-SSDOTTSWSA-N 0 0 180.638 2.664 10 30 AFEERN Cc1ccc(F)c(N[C@H](C)CC#N)c1 37871334 343179451 /nfs/dbraw/zinc/17/94/51/343179451.db2.gz SYZNZMGFMRVWSD-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN CCc1cccc(N[C@H](C)CC#N)c1 37871276 343179309 /nfs/dbraw/zinc/17/93/09/343179309.db2.gz IOOWAODQLWQHMA-SNVBAGLBSA-N 0 0 188.274 2.963 10 30 AFEERN Cc1ccc(F)cc1N[C@@H](C)CC#N 37871259 343179318 /nfs/dbraw/zinc/17/93/18/343179318.db2.gz ZHTKVAHKBBJCSO-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN C[C@H](CC#N)Nc1cc(F)cc(F)c1 37871274 343179325 /nfs/dbraw/zinc/17/93/25/343179325.db2.gz USXJWKXUYBJPBR-SSDOTTSWSA-N 0 0 196.200 2.679 10 30 AFEERN Cc1ccc(F)cc1N[C@H](C)CC#N 37871260 343179369 /nfs/dbraw/zinc/17/93/69/343179369.db2.gz ZHTKVAHKBBJCSO-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN Cc1ccc(N[C@@H](C)CC#N)c(F)c1 37871325 343179376 /nfs/dbraw/zinc/17/93/76/343179376.db2.gz OEDIAAVQPFIUTB-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN Cc1ccc(F)c(N[C@@H](C)CC#N)c1 37871333 343179389 /nfs/dbraw/zinc/17/93/89/343179389.db2.gz SYZNZMGFMRVWSD-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN Cc1ccc(N[C@H](C)CC#N)c(F)c1 37871326 343179409 /nfs/dbraw/zinc/17/94/09/343179409.db2.gz OEDIAAVQPFIUTB-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN C[C@H](CC#N)Nc1ccc(F)c(F)c1 37871236 343179411 /nfs/dbraw/zinc/17/94/11/343179411.db2.gz FHMNDGLHUQCLGE-SSDOTTSWSA-N 0 0 196.200 2.679 10 30 AFEERN Cc1cc(F)ccc1N[C@@H](C)CC#N 37871271 343179436 /nfs/dbraw/zinc/17/94/36/343179436.db2.gz ZNXDZVQPGOAAQM-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN Cc1cc(F)ccc1N[C@H](C)CC#N 37871272 343179442 /nfs/dbraw/zinc/17/94/42/343179442.db2.gz ZNXDZVQPGOAAQM-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN C[C@](C#N)(Nc1ccccc1)C1CC1 37935318 343181953 /nfs/dbraw/zinc/18/19/53/343181953.db2.gz QKXSIDZDEVLLKK-GFCCVEGCSA-N 0 0 186.258 2.791 10 30 AFEERN CC[C@H](C#N)Nc1ccccc1C 37938049 343182448 /nfs/dbraw/zinc/18/24/48/343182448.db2.gz IFXYJJVBHJGLBF-SNVBAGLBSA-N 0 0 174.247 2.709 10 30 AFEERN Cc1cccc(NC2(C#N)CCC2)c1 37936870 343182484 /nfs/dbraw/zinc/18/24/84/343182484.db2.gz LGHXDPFLZKDNOG-UHFFFAOYSA-N 0 0 186.258 2.853 10 30 AFEERN C[C@H](C#N)Nc1cccc(Cl)c1 37937338 343182602 /nfs/dbraw/zinc/18/26/02/343182602.db2.gz GKAIVZNMPSOXRT-SSDOTTSWSA-N 0 0 180.638 2.664 10 30 AFEERN CC[C@H](C#N)Nc1cccc(F)c1 37937092 343182672 /nfs/dbraw/zinc/18/26/72/343182672.db2.gz RRCAULVDZBRJFU-SECBINFHSA-N 0 0 178.210 2.540 10 30 AFEERN CC[C@H](C#N)Nc1cccc(C)c1 37936829 343182693 /nfs/dbraw/zinc/18/26/93/343182693.db2.gz VAAWPLSBLBUMFH-SNVBAGLBSA-N 0 0 174.247 2.709 10 30 AFEERN CC[C@](C)(C#N)NC1CCCCCC1 37970281 343182892 /nfs/dbraw/zinc/18/28/92/343182892.db2.gz DBOBEPNWRUIMMK-GFCCVEGCSA-N 0 0 194.322 2.991 10 30 AFEERN CC[C@@](C)(C#N)NC1CCCCCC1 37970280 343183132 /nfs/dbraw/zinc/18/31/32/343183132.db2.gz DBOBEPNWRUIMMK-LBPRGKRZSA-N 0 0 194.322 2.991 10 30 AFEERN CC[C@H](C)N[C@@]1(C#N)CCCC[C@@H]1C 38064259 343183893 /nfs/dbraw/zinc/18/38/93/343183893.db2.gz QNHQXEWWLSBUSD-SDDRHHMPSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)NC1(C#N)CCCCCC1 38064571 343183938 /nfs/dbraw/zinc/18/39/38/343183938.db2.gz AWVQGCMNTABBNH-NSHDSACASA-N 0 0 194.322 2.991 10 30 AFEERN CS[C@@H]1C[C@H](C)CC[C@H]1C#N 38063660 343183943 /nfs/dbraw/zinc/18/39/43/343183943.db2.gz PWYBYGSIODUCIY-HRDYMLBCSA-N 0 0 169.293 2.678 10 30 AFEERN CC[C@H](C)N[C@]1(C#N)CCCC[C@@H]1C 38064257 343184007 /nfs/dbraw/zinc/18/40/07/343184007.db2.gz QNHQXEWWLSBUSD-SRVKXCTJSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)N[C@]1(C#N)CCC[C@H](C)C1 38064273 343184038 /nfs/dbraw/zinc/18/40/38/343184038.db2.gz QBXAHTMACAZSRU-SDDRHHMPSA-N 0 0 194.322 2.847 10 30 AFEERN CS[C@@H]1C[C@@H](C)CC[C@H]1C#N 38063661 343184071 /nfs/dbraw/zinc/18/40/71/343184071.db2.gz PWYBYGSIODUCIY-XHNCKOQMSA-N 0 0 169.293 2.678 10 30 AFEERN CC(C)c1ccc(C#CCCO)cc1 38064131 343184107 /nfs/dbraw/zinc/18/41/07/343184107.db2.gz IBMJTTUNZSIFRY-UHFFFAOYSA-N 0 0 188.270 2.544 10 30 AFEERN CC[C@@](C)(C#N)N1CCCCCC1 38086088 343184387 /nfs/dbraw/zinc/18/43/87/343184387.db2.gz OIDQMXZOXWLIQQ-NSHDSACASA-N 0 0 180.295 2.555 10 30 AFEERN CC[C@](C)(C#N)N1CCCCCC1 38086089 343184580 /nfs/dbraw/zinc/18/45/80/343184580.db2.gz OIDQMXZOXWLIQQ-LLVKDONJSA-N 0 0 180.295 2.555 10 30 AFEERN O=C(C1=CCCC1)C1CCCC1 38220397 343185564 /nfs/dbraw/zinc/18/55/64/343185564.db2.gz AYPKFGMIXNFNTC-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C=C(C)[C@]1(C)Cc2ccccc2O1 38234384 343185896 /nfs/dbraw/zinc/18/58/96/343185896.db2.gz HPIAGBFMTMBOJO-LBPRGKRZSA-N 0 0 174.243 2.956 10 30 AFEERN C=CCSc1ccccc1C#N 38265947 343186220 /nfs/dbraw/zinc/18/62/20/343186220.db2.gz CZKXXFHIZRGMQI-UHFFFAOYSA-N 0 0 175.256 2.836 10 30 AFEERN Cc1ccccc1[C@@H](C=O)C(C)C 38276416 343186548 /nfs/dbraw/zinc/18/65/48/343186548.db2.gz GELYZVXVAXOQNI-LBPRGKRZSA-N 0 0 176.259 2.934 10 30 AFEERN Cc1ccccc1[C@H](C=O)C(C)C 38276417 343186607 /nfs/dbraw/zinc/18/66/07/343186607.db2.gz GELYZVXVAXOQNI-GFCCVEGCSA-N 0 0 176.259 2.934 10 30 AFEERN CCC(=O)C=C1CCCCC1 38338383 343187516 /nfs/dbraw/zinc/18/75/16/343187516.db2.gz GIENIORYLYUEIR-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CCCC[C@H](C)CCC=O 38391908 343188284 /nfs/dbraw/zinc/18/82/84/343188284.db2.gz GRRNPXSTCFOUCZ-VIFPVBQESA-N 0 0 142.242 2.792 10 30 AFEERN C=CCCC1=C(C)C(=O)CC1 38433758 343188286 /nfs/dbraw/zinc/18/82/86/343188286.db2.gz XMUGGVRVCICQBV-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(C)=CCC[C@@H](C)[C@H]1CO1 38433811 343188329 /nfs/dbraw/zinc/18/83/29/343188329.db2.gz GLYYRWADVSGYMW-NXEZZACHSA-N 0 0 154.253 2.768 10 30 AFEERN CC(C)[C@@H](C)C1=CC(=O)CCC1 38433952 343188529 /nfs/dbraw/zinc/18/85/29/343188529.db2.gz FAPGUFWBDURBCX-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@H](O)c1ccccc1 38433898 343188676 /nfs/dbraw/zinc/18/86/76/343188676.db2.gz HAQYIWOAJSLKHP-NSHDSACASA-N 0 0 162.232 2.686 10 30 AFEERN CC(C)[C@H](C)C1=CC(=O)CCC1 38433953 343188733 /nfs/dbraw/zinc/18/87/33/343188733.db2.gz FAPGUFWBDURBCX-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN N#CCCCSCc1ccccn1 38523649 343188970 /nfs/dbraw/zinc/18/89/70/343188970.db2.gz PZXJUIHJDCYGFG-UHFFFAOYSA-N 0 0 192.287 2.619 10 30 AFEERN C=CC(=O)c1ccc(CC)s1 38582923 343189333 /nfs/dbraw/zinc/18/93/33/343189333.db2.gz XSYWNYJZERJWIL-UHFFFAOYSA-N 0 0 166.245 2.679 10 30 AFEERN C=CCOCc1ccccc1C 38582816 343189430 /nfs/dbraw/zinc/18/94/30/343189430.db2.gz YEFYIMZWODTQJO-UHFFFAOYSA-N 0 0 162.232 2.698 10 30 AFEERN C=CCC(C)(C)CCOC(C)=O 38810229 343191021 /nfs/dbraw/zinc/19/10/21/343191021.db2.gz YBCWLOUXHZCIPT-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=CCOc1cccc(C)c1C 38881470 343191444 /nfs/dbraw/zinc/19/14/44/343191444.db2.gz BQXFWSBPQNPAAG-UHFFFAOYSA-N 0 0 162.232 2.868 10 30 AFEERN C=CC[C@H](OCOC)c1ccccc1 38866522 343191541 /nfs/dbraw/zinc/19/15/41/343191541.db2.gz PFVXQPVTIHZXHJ-LBPRGKRZSA-N 0 0 192.258 2.924 10 30 AFEERN C[C@H](C#N)n1ccc2ccccc21 38886624 343192028 /nfs/dbraw/zinc/19/20/28/343192028.db2.gz ZMZJKWMMKHTQAJ-SECBINFHSA-N 0 0 170.215 2.726 10 30 AFEERN N#Cc1ccc(-c2ccccc2)c(N)c1 38950768 343192240 /nfs/dbraw/zinc/19/22/40/343192240.db2.gz HOLBCGCUHJDUQJ-UHFFFAOYSA-N 0 0 194.237 2.807 10 30 AFEERN C#CC(=O)O[C@@H](C)CCCCCC 38916408 343192246 /nfs/dbraw/zinc/19/22/46/343192246.db2.gz RHHOLLNCXVFDIN-JTQLQIEISA-N 0 0 182.263 2.522 10 30 AFEERN Cc1ccc2c(c1)C=C(CC=O)CC2 38950288 343192404 /nfs/dbraw/zinc/19/24/04/343192404.db2.gz CDPFBQRAOYVDEH-UHFFFAOYSA-N 0 0 186.254 2.914 10 30 AFEERN C=C[C@H](CC(=O)OC)c1ccccc1 38973805 343192486 /nfs/dbraw/zinc/19/24/86/343192486.db2.gz IFSXZCHDQCEJHG-SNVBAGLBSA-N 0 0 190.242 2.519 10 30 AFEERN CCc1cc(C#N)cc(CC)c1F 38996047 343192511 /nfs/dbraw/zinc/19/25/11/343192511.db2.gz QRXDVQLWFDGFBO-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN Cc1ccc([C@@H]2CC(=O)C=CO2)cc1 38973736 343192583 /nfs/dbraw/zinc/19/25/83/343192583.db2.gz YJGHLPFFDKDTOU-LBPRGKRZSA-N 0 0 188.226 2.539 10 30 AFEERN C=C[C@@H](C)Nc1ccc(C)cc1 38973107 343192642 /nfs/dbraw/zinc/19/26/42/343192642.db2.gz UUAKZCYBLBLYHY-SNVBAGLBSA-N 0 0 161.248 2.981 10 30 AFEERN C#CCc1nc(-c2ccccc2)oc1C 38996668 343192970 /nfs/dbraw/zinc/19/29/70/343192970.db2.gz YFYDKKBZBXKZPR-UHFFFAOYSA-N 0 0 197.237 2.826 10 30 AFEERN C=C=CC(=O)c1ccccc1Cl 39038710 343193166 /nfs/dbraw/zinc/19/31/66/343193166.db2.gz CNUGJGGIIBASLS-UHFFFAOYSA-N 0 0 178.618 2.864 10 30 AFEERN Cc1ccc2c(c1)c(CC#N)cn2C 39038872 343193211 /nfs/dbraw/zinc/19/32/11/343193211.db2.gz XQBZSWANOXKPQP-UHFFFAOYSA-N 0 0 184.242 2.553 10 30 AFEERN O=C1CCCCC2=C1CCC2 39074156 343196182 /nfs/dbraw/zinc/19/61/82/343196182.db2.gz OLJRBKILAOTYOI-UHFFFAOYSA-N 0 0 150.221 2.610 10 30 AFEERN C[C@H](C#N)CCOc1ccccc1 39089914 343197670 /nfs/dbraw/zinc/19/76/70/343197670.db2.gz JWLCCNBLJBINGT-JTQLQIEISA-N 0 0 175.231 2.615 10 30 AFEERN CC/C=N/c1ccccc1OC 39089513 343197790 /nfs/dbraw/zinc/19/77/90/343197790.db2.gz HLTAPMOHCGGCTI-DHZHZOJOSA-N 0 0 163.220 2.808 10 30 AFEERN CC/N=C(/C)Oc1ccc(OC)cc1 39090474 343198047 /nfs/dbraw/zinc/19/80/47/343198047.db2.gz YWKHSQRHBVHTDR-XFXZXTDPSA-N 0 0 193.246 2.512 10 30 AFEERN Cc1ccc(C(C)C)cc1C#N 39103646 343198817 /nfs/dbraw/zinc/19/88/17/343198817.db2.gz AXUQXIAZJAVGEU-UHFFFAOYSA-N 0 0 159.232 2.990 10 30 AFEERN Cc1c(C#N)cccc1C(C)C 39103615 343199004 /nfs/dbraw/zinc/19/90/04/343199004.db2.gz GIHWPJUNJCVENC-UHFFFAOYSA-N 0 0 159.232 2.990 10 30 AFEERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]12CO2 39104302 343199196 /nfs/dbraw/zinc/19/91/96/343199196.db2.gz BJPUHZQRGZKFJL-OUAUKWLOSA-N 0 0 168.280 2.848 10 30 AFEERN CC(C)[C@@H]1CC[C@@H](C)C[C@]12CO2 39104241 343199242 /nfs/dbraw/zinc/19/92/42/343199242.db2.gz BJPUHZQRGZKFJL-VWYCJHECSA-N 0 0 168.280 2.848 10 30 AFEERN CC(C)c1cccc2c1C[C@H]1O[C@@H]21 39104730 343199250 /nfs/dbraw/zinc/19/92/50/343199250.db2.gz CXUXDHFEPQOXTL-NEPJUHHUSA-N 0 0 174.243 2.806 10 30 AFEERN CC(C)c1ccc(CC#N)cc1O 39104840 343199262 /nfs/dbraw/zinc/19/92/62/343199262.db2.gz IHYGDIHJTWHLKP-UHFFFAOYSA-N 0 0 175.231 2.582 10 30 AFEERN CCCC[C@@H]1CC2=C(OCCC2)C1=O 39112402 343199686 /nfs/dbraw/zinc/19/96/86/343199686.db2.gz MVKZZKYMTHXGJU-SECBINFHSA-N 0 0 194.274 2.830 10 30 AFEERN CC1=C(c2ccc(C#N)cc2)C(=O)CC1 39112589 343199693 /nfs/dbraw/zinc/19/96/93/343199693.db2.gz CJJGDVPOPXDNRI-UHFFFAOYSA-N 0 0 197.237 2.695 10 30 AFEERN CC(C)(C#N)c1ccc2c(c1)CCC2=O 39112682 343199701 /nfs/dbraw/zinc/19/97/01/343199701.db2.gz IDWZRJQMSBEVIW-UHFFFAOYSA-N 0 0 199.253 2.617 10 30 AFEERN C/C=C(/C(C)=O)c1ccccc1 39116105 343201486 /nfs/dbraw/zinc/20/14/86/343201486.db2.gz UXFXCNFARIKLBE-JYOAFUTRSA-N 0 0 160.216 2.679 10 30 AFEERN CCCCC#Cc1nc(C)cnc1C 39115335 343201569 /nfs/dbraw/zinc/20/15/69/343201569.db2.gz TXRSNNFYBGECLH-UHFFFAOYSA-N 0 0 188.274 2.635 10 30 AFEERN Cc1cc2c(C#N)cccc2o1 39136473 343204449 /nfs/dbraw/zinc/20/44/49/343204449.db2.gz HHLAKQNKQYAJFL-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN Cc1cc2cccc(C#N)c2o1 39136472 343204569 /nfs/dbraw/zinc/20/45/69/343204569.db2.gz NOJRLJQQXHCONT-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN C[C@]1(CC=O)CCc2ccccc2C1 39185351 343205168 /nfs/dbraw/zinc/20/51/68/343205168.db2.gz GIDJTOBYSRLXHM-CYBMUJFWSA-N 0 0 188.270 2.771 10 30 AFEERN CCc1cc(C#N)c(F)c(CC)c1 39168487 343205212 /nfs/dbraw/zinc/20/52/12/343205212.db2.gz PUTYZDNAGMWUOF-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN C[C@@]1(CC=O)CCc2ccccc2C1 39185352 343205528 /nfs/dbraw/zinc/20/55/28/343205528.db2.gz GIDJTOBYSRLXHM-ZDUSSCGKSA-N 0 0 188.270 2.771 10 30 AFEERN CC/C=C/C(=O)c1cccs1 39213470 343206501 /nfs/dbraw/zinc/20/65/01/343206501.db2.gz WAIMEURHSJOCHT-HWKANZROSA-N 0 0 166.245 2.897 10 30 AFEERN CCC[C@H]1O[C@H]1c1ccccc1 39218493 343206642 /nfs/dbraw/zinc/20/66/42/343206642.db2.gz VGLOFKUDCAPVAL-MNOVXSKESA-N 0 0 162.232 2.927 10 30 AFEERN CCC[C@@H]1O[C@@H]1c1ccccc1 39218494 343206613 /nfs/dbraw/zinc/20/66/13/343206613.db2.gz VGLOFKUDCAPVAL-WDEREUQCSA-N 0 0 162.232 2.927 10 30 AFEERN CC(=O)/C=C/C1=CCCCC1 39233354 343207187 /nfs/dbraw/zinc/20/71/87/343207187.db2.gz GBYRHQUMJCEHRY-BQYQJAHWSA-N 0 0 150.221 2.632 10 30 AFEERN CC(C)Cc1ccc(C#N)c(Cl)n1 39239478 343207363 /nfs/dbraw/zinc/20/73/63/343207363.db2.gz DLWNSWQKGJZWIP-UHFFFAOYSA-N 0 0 194.665 2.805 10 30 AFEERN C=C(C)C[C@@H]1CCCC(=O)C1 39247594 343208134 /nfs/dbraw/zinc/20/81/34/343208134.db2.gz ZQAMIZCYCZELLA-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@@H](CC=O)c1ccccc1 39251883 343208438 /nfs/dbraw/zinc/20/84/38/343208438.db2.gz VEUKSXBNXUPLKJ-JTQLQIEISA-N 0 0 162.232 2.769 10 30 AFEERN CCCCCc1ccc(O)c(C#N)c1 39252571 343208384 /nfs/dbraw/zinc/20/83/84/343208384.db2.gz MJYBXQVLUPBGPR-UHFFFAOYSA-N 0 0 189.258 2.997 10 30 AFEERN CC[C@H](CC=O)c1ccccc1 39251884 343208541 /nfs/dbraw/zinc/20/85/41/343208541.db2.gz VEUKSXBNXUPLKJ-SNVBAGLBSA-N 0 0 162.232 2.769 10 30 AFEERN C#C[C@H](O)c1cccc2ccccc12 39260473 343209029 /nfs/dbraw/zinc/20/90/29/343209029.db2.gz YQFFHWHTTIHIHA-ZDUSSCGKSA-N 0 0 182.222 2.506 10 30 AFEERN CC(=O)C1=CCCC(C)(C)C1 39262021 343209042 /nfs/dbraw/zinc/20/90/42/343209042.db2.gz NZMDEABOJIQLEP-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CCC(=O)C1=CCCCCC1 39274201 343209407 /nfs/dbraw/zinc/20/94/07/343209407.db2.gz MBWQQJZYVMJXPO-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN C=CC[C@H](C=O)CCCC 39278654 343209682 /nfs/dbraw/zinc/20/96/82/343209682.db2.gz WETZKCYDNJTUEU-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN O=C(/C=C/Cl)C1CCCCC1 39294836 343210040 /nfs/dbraw/zinc/21/00/40/343210040.db2.gz VFDBEIXMEAOVAY-VOTSOKGWSA-N 0 0 172.655 2.888 10 30 AFEERN C[C@H](C=O)SCc1ccccc1 39310944 343210261 /nfs/dbraw/zinc/21/02/61/343210261.db2.gz JLZOWHWCPBTIQF-SECBINFHSA-N 0 0 180.272 2.507 10 30 AFEERN COc1ccc2ccc(CC#N)cc2c1 39311992 343210371 /nfs/dbraw/zinc/21/03/71/343210371.db2.gz CDTVYCUGKWKOJB-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN Cc1ccc(C2=CCCC2=O)cc1 39318084 343210517 /nfs/dbraw/zinc/21/05/17/343210517.db2.gz LNYPMBCVVODDCN-UHFFFAOYSA-N 0 0 172.227 2.741 10 30 AFEERN C=C[C@@H]1C[C@H]1[C@H](O)c1ccccc1 39363507 343211085 /nfs/dbraw/zinc/21/10/85/343211085.db2.gz NPHCVSATUAWSGW-YUSALJHKSA-N 0 0 174.243 2.542 10 30 AFEERN CC(=O)/C=C/[C@@H]1CCCC[C@H]1C 39348911 343211100 /nfs/dbraw/zinc/21/11/00/343211100.db2.gz SGYFIJBSSQKXLE-KLCSSHHSSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C/[C@@H]1CCCC[C@@H]1C 39348912 343211131 /nfs/dbraw/zinc/21/11/31/343211131.db2.gz SGYFIJBSSQKXLE-QARYBLBWSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H]1C[C@@H]1[C@H](O)c1ccccc1 39363505 343211269 /nfs/dbraw/zinc/21/12/69/343211269.db2.gz NPHCVSATUAWSGW-ADEWGFFLSA-N 0 0 174.243 2.542 10 30 AFEERN CC(=O)/C=C/[C@H]1CCCC[C@@H]1C 39348910 343211275 /nfs/dbraw/zinc/21/12/75/343211275.db2.gz SGYFIJBSSQKXLE-PRXIFDQHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C/CC(C)(C)C 39348717 343211329 /nfs/dbraw/zinc/21/13/29/343211329.db2.gz ODIWAYIMVVHHLK-AATRIKPKSA-N 0 0 140.226 2.568 10 30 AFEERN C(#C[C@H]1CCCS1)c1ccccc1 39377270 343211480 /nfs/dbraw/zinc/21/14/80/343211480.db2.gz VBCGUTYLZKUABO-GFCCVEGCSA-N 0 0 188.295 2.934 10 30 AFEERN C=CCCCCCCOC 39398636 343211767 /nfs/dbraw/zinc/21/17/67/343211767.db2.gz MGVCWOCAHANLPF-UHFFFAOYSA-N 0 0 142.242 2.769 10 30 AFEERN CCCCCC#CCC(OC)OC 39399945 343211953 /nfs/dbraw/zinc/21/19/53/343211953.db2.gz JHDCYFBUCHCNQD-UHFFFAOYSA-N 0 0 184.279 2.579 10 30 AFEERN C=Cc1ccc(CS)cc1 39416099 343212115 /nfs/dbraw/zinc/21/21/15/343212115.db2.gz QOJXAPSXKQKFKS-UHFFFAOYSA-N 0 0 150.246 2.759 10 30 AFEERN C/C=C/c1ccc(C#N)cc1 39424465 343212694 /nfs/dbraw/zinc/21/26/94/343212694.db2.gz DTFJDKQVJTWWAB-NSCUHMNNSA-N 0 0 143.189 2.591 10 30 AFEERN C=CCSC[C@@H](C)CC 39596917 343213180 /nfs/dbraw/zinc/21/31/80/343213180.db2.gz GFEWYUVDSGJQRM-QMMMGPOBSA-N 0 0 144.283 2.952 10 30 AFEERN Cc1cc(C#N)c(N)c2ccccc12 39629684 343213228 /nfs/dbraw/zinc/21/32/28/343213228.db2.gz JMEDIWLINNPLNH-UHFFFAOYSA-N 0 0 182.226 2.602 10 30 AFEERN C=CCSC[C@H](C)CC 39596915 343213360 /nfs/dbraw/zinc/21/33/60/343213360.db2.gz GFEWYUVDSGJQRM-MRVPVSSYSA-N 0 0 144.283 2.952 10 30 AFEERN C=C[C@H](OCC)c1ccccc1 39642437 343213560 /nfs/dbraw/zinc/21/35/60/343213560.db2.gz VIZGOLRFGWSFHS-NSHDSACASA-N 0 0 162.232 2.950 10 30 AFEERN Cc1cc(N=[N+]=[N-])cc(C)n1 39643193 343213680 /nfs/dbraw/zinc/21/36/80/343213680.db2.gz APONQBFEXJSEBW-UHFFFAOYSA-N 0 0 148.169 2.640 10 30 AFEERN CCCCC(=O)c1cccc(C#N)c1 39642006 343213683 /nfs/dbraw/zinc/21/36/83/343213683.db2.gz VTKVADYYUUUURL-UHFFFAOYSA-N 0 0 187.242 2.931 10 30 AFEERN C=C[C@@H](OCC)c1ccccc1 39642439 343213710 /nfs/dbraw/zinc/21/37/10/343213710.db2.gz VIZGOLRFGWSFHS-LLVKDONJSA-N 0 0 162.232 2.950 10 30 AFEERN CC1(C)CCCC(C)(C)N1CC#N 39644684 343213723 /nfs/dbraw/zinc/21/37/23/343213723.db2.gz ALSNSNXGGOXHTA-UHFFFAOYSA-N 0 0 180.295 2.553 10 30 AFEERN Cc1ccc(C2=CC(=O)CCC2)cn1 39642887 343213797 /nfs/dbraw/zinc/21/37/97/343213797.db2.gz GOLUZAVNHGKCCL-UHFFFAOYSA-N 0 0 187.242 2.526 10 30 AFEERN Cc1cnoc1-c1ccc(C#N)cc1 39956235 343214396 /nfs/dbraw/zinc/21/43/96/343214396.db2.gz HWEHTKURJMQXKR-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C[C@H](C#N)CNc1cccc(F)c1F 40230605 343216023 /nfs/dbraw/zinc/21/60/23/343216023.db2.gz UFBRTBNOQVIKOX-SSDOTTSWSA-N 0 0 196.200 2.536 10 30 AFEERN C[C@H](CC#N)Sc1nccs1 40676892 343221231 /nfs/dbraw/zinc/22/12/31/343221231.db2.gz AGSZYIYUUHBYIV-ZCFIWIBFSA-N 0 0 184.289 2.537 10 30 AFEERN CC[C@H](CC#N)n1nc(C)c(C)c1C 40729992 343222575 /nfs/dbraw/zinc/22/25/75/343222575.db2.gz FGCVDHRMKXATSC-LLVKDONJSA-N 0 0 191.278 2.673 10 30 AFEERN CCc1c(C)nn([C@@H](C)CC#N)c1C 40732584 343222586 /nfs/dbraw/zinc/22/25/86/343222586.db2.gz DYCIAUQGDBZMNX-QMMMGPOBSA-N 0 0 191.278 2.537 10 30 AFEERN CC(C)Sc1ccc(N)cc1C#N 41021822 343225711 /nfs/dbraw/zinc/22/57/11/343225711.db2.gz NYZOMEWJQISQNI-UHFFFAOYSA-N 0 0 192.287 2.641 10 30 AFEERN CC(C)[C@H](C#N)C(=O)c1cccs1 41045696 343226622 /nfs/dbraw/zinc/22/66/22/343226622.db2.gz DHVZUFZEJNXGTD-QMMMGPOBSA-N 0 0 193.271 2.727 10 30 AFEERN CC(C)[C@@H](C#N)C(=O)C1CCCCC1 41045721 343226721 /nfs/dbraw/zinc/22/67/21/343226721.db2.gz HMQVVWHHMIUWGA-LLVKDONJSA-N 0 0 193.290 2.932 10 30 AFEERN CC(C)[C@@H](C#N)C(=O)c1cccs1 41045695 343226853 /nfs/dbraw/zinc/22/68/53/343226853.db2.gz DHVZUFZEJNXGTD-MRVPVSSYSA-N 0 0 193.271 2.727 10 30 AFEERN CC(C)[C@H](C#N)Nc1cccc(F)c1 41049465 343227029 /nfs/dbraw/zinc/22/70/29/343227029.db2.gz MWCVKCCIMXJZKB-NSHDSACASA-N 0 0 192.237 2.786 10 30 AFEERN Cc1ccc(N[C@H](C#N)C2CC2)cc1 41047342 343227057 /nfs/dbraw/zinc/22/70/57/343227057.db2.gz QFOGDZYVKBUUHZ-GFCCVEGCSA-N 0 0 186.258 2.709 10 30 AFEERN Cc1cccc(N[C@H](C#N)C(C)C)c1 41049463 343227124 /nfs/dbraw/zinc/22/71/24/343227124.db2.gz ZHQAOAYUTXBDBF-GFCCVEGCSA-N 0 0 188.274 2.955 10 30 AFEERN CC(C)[C@H](C#N)NC1CCCCCC1 41049510 343227178 /nfs/dbraw/zinc/22/71/78/343227178.db2.gz YZAAKDFASUYPHW-LBPRGKRZSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)[C@H](C#N)Nc1ccccc1F 41049481 343227183 /nfs/dbraw/zinc/22/71/83/343227183.db2.gz LRKIBXOTUGNXCB-NSHDSACASA-N 0 0 192.237 2.786 10 30 AFEERN CC(C)[C@@H](C#N)Nc1ccccc1F 41049480 343227193 /nfs/dbraw/zinc/22/71/93/343227193.db2.gz LRKIBXOTUGNXCB-LLVKDONJSA-N 0 0 192.237 2.786 10 30 AFEERN Cc1cccc(N[C@@H](C#N)C(C)C)c1 41049462 343227243 /nfs/dbraw/zinc/22/72/43/343227243.db2.gz ZHQAOAYUTXBDBF-LBPRGKRZSA-N 0 0 188.274 2.955 10 30 AFEERN CC(C)[C@@H](C#N)NC1CCCCCC1 41049509 343227314 /nfs/dbraw/zinc/22/73/14/343227314.db2.gz YZAAKDFASUYPHW-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)[C@H](C#N)N1CCCCCC1 41050467 343227425 /nfs/dbraw/zinc/22/74/25/343227425.db2.gz RHLSXSNCWNVFPA-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@H](C)[C@@H](C#N)N1CCCCCC1 41050465 343227758 /nfs/dbraw/zinc/22/77/58/343227758.db2.gz RHLSXSNCWNVFPA-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)(C)[C@H](C#N)NC1CCCCC1 41051759 343228110 /nfs/dbraw/zinc/22/81/10/343228110.db2.gz KJRCDBQTPPGUMX-NSHDSACASA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)(C)[C@@H](C#N)NC1CCCCC1 41051758 343228272 /nfs/dbraw/zinc/22/82/72/343228272.db2.gz KJRCDBQTPPGUMX-LLVKDONJSA-N 0 0 194.322 2.847 10 30 AFEERN CCc1ccc([C@H](C)C#N)s1 41062373 343230082 /nfs/dbraw/zinc/23/00/82/343230082.db2.gz FOTGKHUPLSTCLR-SSDOTTSWSA-N 0 0 165.261 2.938 10 30 AFEERN CCc1ccc([C@@H](C)C#N)s1 41062372 343230201 /nfs/dbraw/zinc/23/02/01/343230201.db2.gz FOTGKHUPLSTCLR-ZETCQYMHSA-N 0 0 165.261 2.938 10 30 AFEERN Cc1ccc2c(c1)[C@@H](C#N)CC2 41167388 343230462 /nfs/dbraw/zinc/23/04/62/343230462.db2.gz NWPNTWIBLREJTJ-SNVBAGLBSA-N 0 0 157.216 2.548 10 30 AFEERN Cc1occc1C(=O)[C@@H](C#N)C(C)C 41076224 343230515 /nfs/dbraw/zinc/23/05/15/343230515.db2.gz KEZCFKRRJJBKLO-JTQLQIEISA-N 0 0 191.230 2.567 10 30 AFEERN Cc1occc1C(=O)[C@H](C#N)C(C)C 41076225 343230647 /nfs/dbraw/zinc/23/06/47/343230647.db2.gz KEZCFKRRJJBKLO-SNVBAGLBSA-N 0 0 191.230 2.567 10 30 AFEERN Cc1ccc2c(c1)[C@@H](C#N)CCC2 41168453 343231109 /nfs/dbraw/zinc/23/11/09/343231109.db2.gz FVWIBRSAZCPNTD-LLVKDONJSA-N 0 0 171.243 2.939 10 30 AFEERN Cc1ccc(C)c(C(=O)CCC#N)c1 41203884 343231808 /nfs/dbraw/zinc/23/18/08/343231808.db2.gz NDISGTJRNUQPHJ-UHFFFAOYSA-N 0 0 187.242 2.790 10 30 AFEERN SCCCCOc1ccccc1 41202170 343231841 /nfs/dbraw/zinc/23/18/41/343231841.db2.gz SERSNCMFICEPJS-UHFFFAOYSA-N 0 0 182.288 2.775 10 30 AFEERN Cc1cccc(OCCS)c1C 41202189 343231843 /nfs/dbraw/zinc/23/18/43/343231843.db2.gz NGRMQVUFHZDEDM-UHFFFAOYSA-N 0 0 182.288 2.612 10 30 AFEERN CCCN(C)[C@@H](C#N)c1ccccc1 41204258 343232199 /nfs/dbraw/zinc/23/21/99/343232199.db2.gz IWXQFSUMXTVMLF-LBPRGKRZSA-N 0 0 188.274 2.593 10 30 AFEERN Cc1cccc(OCC(C)(C)C#N)c1 41204649 343232297 /nfs/dbraw/zinc/23/22/97/343232297.db2.gz KXQWVSQDSUEZBG-UHFFFAOYSA-N 0 0 189.258 2.924 10 30 AFEERN CCCN(C)[C@H](C#N)c1ccccc1 41204260 343232307 /nfs/dbraw/zinc/23/23/07/343232307.db2.gz IWXQFSUMXTVMLF-GFCCVEGCSA-N 0 0 188.274 2.593 10 30 AFEERN CC1(C)CC/C(=N\O)c2ccccc21 41204735 343232374 /nfs/dbraw/zinc/23/23/74/343232374.db2.gz BGFOUGWGRFOSQN-ACCUITESSA-N 0 0 189.258 2.936 10 30 AFEERN Cc1ccc(C)c(OCCS)c1C 41207414 343232416 /nfs/dbraw/zinc/23/24/16/343232416.db2.gz FUCGBFWDIDIKAK-UHFFFAOYSA-N 0 0 196.315 2.920 10 30 AFEERN Cc1cc(C)c(OCCS)c(C)c1 41207416 343232619 /nfs/dbraw/zinc/23/26/19/343232619.db2.gz XLHWYNVVZLTAKB-UHFFFAOYSA-N 0 0 196.315 2.920 10 30 AFEERN C=CCSc1nnc(C(C)(C)C)o1 41369466 343234377 /nfs/dbraw/zinc/23/43/77/343234377.db2.gz BPIXOUXMWXEPDW-UHFFFAOYSA-N 0 0 198.291 2.645 10 30 AFEERN C#CCOc1cc(C)c(Cl)c(C)c1 41639635 343235414 /nfs/dbraw/zinc/23/54/14/343235414.db2.gz MZRBQFYJSWXZBB-UHFFFAOYSA-N 0 0 194.661 2.969 10 30 AFEERN C#CCOc1cc(C)cc(C)c1C 41639606 343235653 /nfs/dbraw/zinc/23/56/53/343235653.db2.gz MPQPQTKRSNWPLR-UHFFFAOYSA-N 0 0 174.243 2.624 10 30 AFEERN C=CC[C@H](O)c1cccc(OCC)c1 42394647 343241308 /nfs/dbraw/zinc/24/13/08/343241308.db2.gz VPCIFHURHSEZPS-LBPRGKRZSA-N 0 0 192.258 2.695 10 30 AFEERN C/C=C/C(=O)c1ccc(F)c(C)c1 42394609 343241332 /nfs/dbraw/zinc/24/13/32/343241332.db2.gz SXOWLDQMGJZAMX-ONEGZZNKSA-N 0 0 178.206 2.893 10 30 AFEERN C=CC[C@@H](O)c1cccc(OCC)c1 42394643 343241386 /nfs/dbraw/zinc/24/13/86/343241386.db2.gz VPCIFHURHSEZPS-GFCCVEGCSA-N 0 0 192.258 2.695 10 30 AFEERN C=CCC(=O)c1ccsc1 42394537 343241394 /nfs/dbraw/zinc/24/13/94/343241394.db2.gz VUZDSHAKJDXZCB-UHFFFAOYSA-N 0 0 152.218 2.507 10 30 AFEERN C/C=C/C(=O)c1cccc(F)c1 42394510 343241508 /nfs/dbraw/zinc/24/15/08/343241508.db2.gz WOPWSMAIPHYDJK-DUXPYHPUSA-N 0 0 164.179 2.585 10 30 AFEERN C/C=C/C(=O)c1ccc(C)c(F)c1 42394586 343241511 /nfs/dbraw/zinc/24/15/11/343241511.db2.gz ZDVYTCHOHVOVHG-ONEGZZNKSA-N 0 0 178.206 2.893 10 30 AFEERN Cc1cccc(C(=O)CCC#N)c1C 43314365 343250977 /nfs/dbraw/zinc/25/09/77/343250977.db2.gz WXUQVDVPKXPSSH-UHFFFAOYSA-N 0 0 187.242 2.790 10 30 AFEERN Cc1c(F)cccc1NCCCC#N 43321146 343251449 /nfs/dbraw/zinc/25/14/49/343251449.db2.gz ASPCPRVIXKCSJF-UHFFFAOYSA-N 0 0 192.237 2.850 10 30 AFEERN Cc1cc(C)cc(C(=O)CCC#N)c1 43393012 343252055 /nfs/dbraw/zinc/25/20/55/343252055.db2.gz PPEPYHBJXKQGMW-UHFFFAOYSA-N 0 0 187.242 2.790 10 30 AFEERN CCCC[C@@H](C=O)CCC 43502315 343252698 /nfs/dbraw/zinc/25/26/98/343252698.db2.gz IREORVYCKDQFMD-VIFPVBQESA-N 0 0 142.242 2.792 10 30 AFEERN Cc1ccc(CC=O)c2ccccc12 43502295 343252771 /nfs/dbraw/zinc/25/27/71/343252771.db2.gz RIMHEDCYZLIDRX-UHFFFAOYSA-N 0 0 184.238 2.890 10 30 AFEERN C=CCc1c(C)cc(OC)cc1OC 43505103 343252826 /nfs/dbraw/zinc/25/28/26/343252826.db2.gz KELZLWWBMAVOLU-UHFFFAOYSA-N 0 0 192.258 2.741 10 30 AFEERN CCCC[C@H](C=O)CCC 43502313 343252841 /nfs/dbraw/zinc/25/28/41/343252841.db2.gz IREORVYCKDQFMD-SECBINFHSA-N 0 0 142.242 2.792 10 30 AFEERN C=CCc1cncc2ccccc12 43505131 343252859 /nfs/dbraw/zinc/25/28/59/343252859.db2.gz YHLHMQZWRMDKDR-UHFFFAOYSA-N 0 0 169.227 2.963 10 30 AFEERN Cc1ccc2ccccc2c1CC=O 43502293 343252866 /nfs/dbraw/zinc/25/28/66/343252866.db2.gz HTQMJYFMWYWJML-UHFFFAOYSA-N 0 0 184.238 2.890 10 30 AFEERN C=CCc1cc(F)c(F)cc1OC 43505095 343252880 /nfs/dbraw/zinc/25/28/80/343252880.db2.gz NWIIRCPQUFWYQA-UHFFFAOYSA-N 0 0 184.185 2.702 10 30 AFEERN CCc1ccc(N[C@H](C)C#N)cc1 43514484 343253035 /nfs/dbraw/zinc/25/30/35/343253035.db2.gz GCLNSAYEOQEXLU-SECBINFHSA-N 0 0 174.247 2.573 10 30 AFEERN CCc1ccc(N[C@@H](C)C#N)cc1 43514483 343253147 /nfs/dbraw/zinc/25/31/47/343253147.db2.gz GCLNSAYEOQEXLU-VIFPVBQESA-N 0 0 174.247 2.573 10 30 AFEERN C[C@H](C#N)NC1CCCCCCC1 43514234 343253175 /nfs/dbraw/zinc/25/31/75/343253175.db2.gz OLEXLVADOSJNTJ-SNVBAGLBSA-N 0 0 180.295 2.601 10 30 AFEERN Cc1cc(C)cc(N[C@@H](C)C#N)c1 43514473 343253218 /nfs/dbraw/zinc/25/32/18/343253218.db2.gz CNHBBRDOMBNTDK-JTQLQIEISA-N 0 0 174.247 2.627 10 30 AFEERN Cc1ccc(N[C@H](C)C#N)cc1Cl 43514030 343253267 /nfs/dbraw/zinc/25/32/67/343253267.db2.gz ITBOJPFBVMNKAA-MRVPVSSYSA-N 0 0 194.665 2.972 10 30 AFEERN Cc1ccc(N[C@H](C)C#N)cc1C 43514416 343253276 /nfs/dbraw/zinc/25/32/76/343253276.db2.gz CPHYOERBUYDZPK-SNVBAGLBSA-N 0 0 174.247 2.627 10 30 AFEERN Cc1ccc(N[C@@H](C)C#N)cc1C 43514415 343253333 /nfs/dbraw/zinc/25/33/33/343253333.db2.gz CPHYOERBUYDZPK-JTQLQIEISA-N 0 0 174.247 2.627 10 30 AFEERN Cc1ccc([C@@H](C)N[C@@H](C)C#N)cc1 43515537 343253546 /nfs/dbraw/zinc/25/35/46/343253546.db2.gz TZFHZCUHUZHHLS-WDEREUQCSA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccc([C@H](C)N[C@@H](C)C#N)cc1 43515538 343253617 /nfs/dbraw/zinc/25/36/17/343253617.db2.gz TZFHZCUHUZHHLS-QWRGUYRKSA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccc([C@@H](C)N[C@H](C)C#N)cc1 43515539 343253641 /nfs/dbraw/zinc/25/36/41/343253641.db2.gz TZFHZCUHUZHHLS-GHMZBOCLSA-N 0 0 188.274 2.558 10 30 AFEERN Cc1ccc([C@H](C)N[C@H](C)C#N)s1 43515442 343253670 /nfs/dbraw/zinc/25/36/70/343253670.db2.gz UQNMIFGEZPPUDL-APPZFPTMSA-N 0 0 194.303 2.619 10 30 AFEERN Cc1ccc([C@@H](C)N[C@H](C)C#N)s1 43515441 343253679 /nfs/dbraw/zinc/25/36/79/343253679.db2.gz UQNMIFGEZPPUDL-VXNVDRBHSA-N 0 0 194.303 2.619 10 30 AFEERN C[C@H](C#N)Nc1ccc(Cl)c(F)c1 43515401 343253688 /nfs/dbraw/zinc/25/36/88/343253688.db2.gz SKBGHSYTMQEDCY-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN Cc1ccc([C@@H](C)N[C@@H](C)C#N)s1 43515439 343253701 /nfs/dbraw/zinc/25/37/01/343253701.db2.gz UQNMIFGEZPPUDL-IONNQARKSA-N 0 0 194.303 2.619 10 30 AFEERN C[C@H](C#N)Nc1cc(Cl)ccc1F 43514840 343253708 /nfs/dbraw/zinc/25/37/08/343253708.db2.gz RMEHRZHTFMETEV-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN C[C@H](C#N)Nc1ccc(F)cc1Cl 43514778 343253722 /nfs/dbraw/zinc/25/37/22/343253722.db2.gz UWGWVQDPKCPLJM-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN Cc1cc(N)ccc1S[C@@H](C)C#N 43516625 343253957 /nfs/dbraw/zinc/25/39/57/343253957.db2.gz XCSALKYGKLKNBV-QMMMGPOBSA-N 0 0 192.287 2.581 10 30 AFEERN Cc1ccc(S[C@H](C)C#N)c(N)c1 43516618 343254087 /nfs/dbraw/zinc/25/40/87/343254087.db2.gz SQHWXOPWHZQOOP-MRVPVSSYSA-N 0 0 192.287 2.581 10 30 AFEERN Cc1cc(N)ccc1S[C@H](C)C#N 43516626 343254106 /nfs/dbraw/zinc/25/41/06/343254106.db2.gz XCSALKYGKLKNBV-MRVPVSSYSA-N 0 0 192.287 2.581 10 30 AFEERN Cc1ccc(S[C@@H](C)C#N)c(N)c1 43516617 343254108 /nfs/dbraw/zinc/25/41/08/343254108.db2.gz SQHWXOPWHZQOOP-QMMMGPOBSA-N 0 0 192.287 2.581 10 30 AFEERN C[C@H](C#N)OCc1ccccc1Cl 43522527 343254278 /nfs/dbraw/zinc/25/42/78/343254278.db2.gz XVSRUCVIGLDVGX-MRVPVSSYSA-N 0 0 195.649 2.769 10 30 AFEERN Cc1cccc(S[C@H](C)C#N)c1 43522816 343254469 /nfs/dbraw/zinc/25/44/69/343254469.db2.gz AGUUVGPGTCDCLE-SECBINFHSA-N 0 0 177.272 2.999 10 30 AFEERN Cc1cccc(S[C@@H](C)C#N)c1 43522814 343254490 /nfs/dbraw/zinc/25/44/90/343254490.db2.gz AGUUVGPGTCDCLE-VIFPVBQESA-N 0 0 177.272 2.999 10 30 AFEERN C[C@@H](C#N)OCc1ccccc1Cl 43522525 343254524 /nfs/dbraw/zinc/25/45/24/343254524.db2.gz XVSRUCVIGLDVGX-QMMMGPOBSA-N 0 0 195.649 2.769 10 30 AFEERN CCc1ccccc1N[C@H](C#N)CC 43539302 343254633 /nfs/dbraw/zinc/25/46/33/343254633.db2.gz SKWYANLXVOWKKB-NSHDSACASA-N 0 0 188.274 2.963 10 30 AFEERN CC[C@H](C#N)Nc1cc(F)cc(F)c1 43539337 343254643 /nfs/dbraw/zinc/25/46/43/343254643.db2.gz HSOFGFAKLSJHOF-SECBINFHSA-N 0 0 196.200 2.679 10 30 AFEERN CC[C@H](C#N)Nc1ccc(C)cc1F 43539525 343254647 /nfs/dbraw/zinc/25/46/47/343254647.db2.gz QNMOJNVVOFCAQT-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@H](C#N)Nc1ccc(C)c(F)c1 43539301 343254709 /nfs/dbraw/zinc/25/47/09/343254709.db2.gz LVQFMJZCEGUCAE-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@H](C#N)Nc1cc(F)ccc1F 43539177 343254791 /nfs/dbraw/zinc/25/47/91/343254791.db2.gz DCWJZFJLCZNDKD-MRVPVSSYSA-N 0 0 196.200 2.679 10 30 AFEERN CC[C@H](C#N)Nc1ccc(F)cc1C 43539331 343254835 /nfs/dbraw/zinc/25/48/35/343254835.db2.gz JYQXUMCJASLTKJ-SNVBAGLBSA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@H](C#N)Nc1cc(F)ccc1C 43539295 343254865 /nfs/dbraw/zinc/25/48/65/343254865.db2.gz HUEZWPVWBZNOLS-SNVBAGLBSA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@H](C#N)NC1CCCCCCC1 43539193 343254882 /nfs/dbraw/zinc/25/48/82/343254882.db2.gz WUFHAXBXUNESBZ-LLVKDONJSA-N 0 0 194.322 2.991 10 30 AFEERN CC[C@@H](C#N)N(C)C1CCCCCC1 43556383 343255061 /nfs/dbraw/zinc/25/50/61/343255061.db2.gz LYNRVKUIWZCJGE-NSHDSACASA-N 0 0 194.322 2.943 10 30 AFEERN CC[C@@H](C#N)N(C)C1CCC(C)CC1 43556560 343255086 /nfs/dbraw/zinc/25/50/86/343255086.db2.gz UDCBHRHADJOSNT-CXQJBGSLSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H](C#N)Sc1ccccc1N 43542923 343255188 /nfs/dbraw/zinc/25/51/88/343255188.db2.gz VKYPPLIUFCXEHN-MRVPVSSYSA-N 0 0 192.287 2.663 10 30 AFEERN CC[C@H](C#N)N(C)[C@@H]1CCC[C@H](C)C1 43556603 343255227 /nfs/dbraw/zinc/25/52/27/343255227.db2.gz OSVPUXKDKGEJSY-QJPTWQEYSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H](C#N)N(C)C1CCC(C)CC1 43556561 343255302 /nfs/dbraw/zinc/25/53/02/343255302.db2.gz UDCBHRHADJOSNT-MOENNCHZSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H](C#N)N(C)C1CCCCCC1 43556385 343255310 /nfs/dbraw/zinc/25/53/10/343255310.db2.gz LYNRVKUIWZCJGE-LLVKDONJSA-N 0 0 194.322 2.943 10 30 AFEERN CC[C@H](C#N)Sc1ccc(N)cc1 43542937 343255317 /nfs/dbraw/zinc/25/53/17/343255317.db2.gz LILZEHWDJFIRAH-SECBINFHSA-N 0 0 192.287 2.663 10 30 AFEERN CC[C@H](C#N)N(C)[C@@H]1CCCC[C@@H]1C 43556784 343255329 /nfs/dbraw/zinc/25/53/29/343255329.db2.gz ORGPMQZAJJPVTF-QJPTWQEYSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H](C#N)Oc1ccccc1F 43556997 343255489 /nfs/dbraw/zinc/25/54/89/343255489.db2.gz CGAWCQLYOYGEMG-MRVPVSSYSA-N 0 0 179.194 2.507 10 30 AFEERN CC[C@H](C#N)Oc1cc(C)ccc1C 43557012 343255505 /nfs/dbraw/zinc/25/55/05/343255505.db2.gz AWROHWVKHAWQOK-LLVKDONJSA-N 0 0 189.258 2.984 10 30 AFEERN CC[C@@H](C#N)Oc1ccccc1F 43556995 343255534 /nfs/dbraw/zinc/25/55/34/343255534.db2.gz CGAWCQLYOYGEMG-QMMMGPOBSA-N 0 0 179.194 2.507 10 30 AFEERN CC[C@@H](C#N)OCc1ccccc1 43556917 343255715 /nfs/dbraw/zinc/25/57/15/343255715.db2.gz SCZOFXXLMOASEI-NSHDSACASA-N 0 0 175.231 2.505 10 30 AFEERN CCc1c(C)nn([C@@H](C#N)CC)c1C 43556905 343255816 /nfs/dbraw/zinc/25/58/16/343255816.db2.gz FLTORAQJGRWOFP-SNVBAGLBSA-N 0 0 191.278 2.537 10 30 AFEERN CC[C@H](C#N)Oc1ccc(C)c(C)c1 43557016 343255844 /nfs/dbraw/zinc/25/58/44/343255844.db2.gz BHYSDRFXXTUHPM-LLVKDONJSA-N 0 0 189.258 2.984 10 30 AFEERN CCc1ccc(C(=O)[C@H](C)C#N)s1 43640102 343257824 /nfs/dbraw/zinc/25/78/24/343257824.db2.gz JCDZJZQPCQRVEK-SSDOTTSWSA-N 0 0 193.271 2.653 10 30 AFEERN CCc1ccc(C(=O)[C@@H](C)C#N)s1 43640101 343257853 /nfs/dbraw/zinc/25/78/53/343257853.db2.gz JCDZJZQPCQRVEK-ZETCQYMHSA-N 0 0 193.271 2.653 10 30 AFEERN C=C(C)C[C@@H]1C[C@H](C)CCC1=O 43651909 343258070 /nfs/dbraw/zinc/25/80/70/343258070.db2.gz KKIPCTDIKLLDQX-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@H]1CCCCCC1=O 43650031 343258112 /nfs/dbraw/zinc/25/81/12/343258112.db2.gz KKUWEFZPJVESAD-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C[C@H]1C[C@@H](C)CCC1=O 43651912 343258119 /nfs/dbraw/zinc/25/81/19/343258119.db2.gz KKIPCTDIKLLDQX-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C[C@H]1C[C@H](C)CCC1=O 43651911 343258123 /nfs/dbraw/zinc/25/81/23/343258123.db2.gz KKIPCTDIKLLDQX-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C#CC[C@@H]1C[C@@H](CCC)CC[C@H]1O 43660986 343258728 /nfs/dbraw/zinc/25/87/28/343258728.db2.gz OWJUTWNXCHANCN-QJPTWQEYSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 43661194 343258731 /nfs/dbraw/zinc/25/87/31/343258731.db2.gz ZEJWDFWIMNEXFP-IJLUTSLNSA-N 0 0 194.318 2.833 10 30 AFEERN C#CC[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O 43661191 343258799 /nfs/dbraw/zinc/25/87/99/343258799.db2.gz ZEJWDFWIMNEXFP-UTUOFQBUSA-N 0 0 194.318 2.833 10 30 AFEERN C#CC[C@@H]1C[C@H](CCC)CC[C@@H]1O 43660980 343258843 /nfs/dbraw/zinc/25/88/43/343258843.db2.gz OWJUTWNXCHANCN-UTUOFQBUSA-N 0 0 180.291 2.587 10 30 AFEERN Cc1c(C(C)(C)C)sc(C#N)c1N 44273684 343263195 /nfs/dbraw/zinc/26/31/95/343263195.db2.gz AWMARJAIDDTVBO-UHFFFAOYSA-N 0 0 194.303 2.808 10 30 AFEERN Cc1ccc(Cl)cc1CC#N 44368968 343263906 /nfs/dbraw/zinc/26/39/06/343263906.db2.gz RXBXGHSRAJCLCJ-UHFFFAOYSA-N 0 0 165.623 2.715 10 30 AFEERN Cc1ccc(CC#N)cc1Cl 44368329 343263924 /nfs/dbraw/zinc/26/39/24/343263924.db2.gz JVOMTMUTPSGLTA-UHFFFAOYSA-N 0 0 165.623 2.715 10 30 AFEERN Cc1cc(Cl)cc(CC#N)c1 44370738 343264259 /nfs/dbraw/zinc/26/42/59/343264259.db2.gz RUYGBTMQYNFGQM-UHFFFAOYSA-N 0 0 165.623 2.715 10 30 AFEERN C#Cc1cccc(NC2CCC2)c1 44479823 343266116 /nfs/dbraw/zinc/26/61/16/343266116.db2.gz ICPIWPCKBCDNFL-UHFFFAOYSA-N 0 0 171.243 2.632 10 30 AFEERN CCc1nc2c(C#N)cccc2s1 45235844 343271654 /nfs/dbraw/zinc/27/16/54/343271654.db2.gz AHDQNQOZPJTARO-UHFFFAOYSA-N 0 0 188.255 2.730 10 30 AFEERN C[C@@H](C#N)OCCCc1ccccc1 45627744 343272044 /nfs/dbraw/zinc/27/20/44/343272044.db2.gz OBPNVPNVAOWYAX-NSHDSACASA-N 0 0 189.258 2.548 10 30 AFEERN N#Cc1ccnc(-c2ccc(F)cc2)c1 47203942 343273263 /nfs/dbraw/zinc/27/32/63/343273263.db2.gz RNVPFIDQIFJLMP-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C=CC[C@H]1CCC[C@@]1(O)C(=C)C 48523843 343274493 /nfs/dbraw/zinc/27/44/93/343274493.db2.gz ZGMQDOYNNIAPAE-WDEREUQCSA-N 0 0 166.264 2.670 10 30 AFEERN C[C@H](C#N)Sc1ccc(F)c(F)c1 48484437 343274559 /nfs/dbraw/zinc/27/45/59/343274559.db2.gz LEMADNVVKXGJQQ-ZCFIWIBFSA-N 0 0 199.225 2.969 10 30 AFEERN Cc1ccccc1N(C)CCCC#N 49986531 343277736 /nfs/dbraw/zinc/27/77/36/343277736.db2.gz HNGNIHJNABZDNE-UHFFFAOYSA-N 0 0 188.274 2.735 10 30 AFEERN Cc1cc(Cl)cc(C)c1OCC=O 50160547 343278674 /nfs/dbraw/zinc/27/86/74/343278674.db2.gz SCTFOLOYZOAUHE-UHFFFAOYSA-N 0 0 198.649 2.535 10 30 AFEERN Cc1ccc(C(=O)C2=CCCC2)o1 50325266 343281310 /nfs/dbraw/zinc/28/13/10/343281310.db2.gz RANQDSZARGSUPV-UHFFFAOYSA-N 0 0 176.215 2.881 10 30 AFEERN O=C(C1=CCCCCC1)C1CC1 50325322 343281327 /nfs/dbraw/zinc/28/13/27/343281327.db2.gz IXDMZZBNXFWWNQ-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CC[C@H](C)C(=O)C1=CCCC1 50325127 343281362 /nfs/dbraw/zinc/28/13/62/343281362.db2.gz IROKJGSJZUMAIB-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H]1C[C@H]1C(=O)C1=CCCCC1 50324847 343281433 /nfs/dbraw/zinc/28/14/33/343281433.db2.gz WWNABGGOTAJRRQ-WCBMZHEXSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1C[C@@H]1C(=O)C1=CCCCC1 50324845 343281442 /nfs/dbraw/zinc/28/14/42/343281442.db2.gz WWNABGGOTAJRRQ-WPRPVWTQSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccoc1C(=O)C1=CCCC1 50325254 343281494 /nfs/dbraw/zinc/28/14/94/343281494.db2.gz ZIMXHVFIFCGQSL-UHFFFAOYSA-N 0 0 176.215 2.881 10 30 AFEERN C[C@H](C#N)N1CCC(C(C)(C)C)CC1 50347055 343282215 /nfs/dbraw/zinc/28/22/15/343282215.db2.gz IENVRRRSWXSPIO-SNVBAGLBSA-N 0 0 194.322 2.657 10 30 AFEERN N#Cc1cccc(COC2CCC2)c1 50520445 343283362 /nfs/dbraw/zinc/28/33/62/343283362.db2.gz IMUVAVNNABIRNH-UHFFFAOYSA-N 0 0 187.242 2.627 10 30 AFEERN Cc1cc(C#N)ccc1OC1CCC1 50520432 343283460 /nfs/dbraw/zinc/28/34/60/343283460.db2.gz IKBOVAXSEPWNMX-UHFFFAOYSA-N 0 0 187.242 2.798 10 30 AFEERN C=CCNc1ccc2c(c1)CCC2 50521783 343283469 /nfs/dbraw/zinc/28/34/69/343283469.db2.gz VBLBGRCQQKQBHD-UHFFFAOYSA-N 0 0 173.259 2.773 10 30 AFEERN C=CCNc1ccc(C)c(F)c1 50521788 343283614 /nfs/dbraw/zinc/28/36/14/343283614.db2.gz DSYRMHMFDAFGPP-UHFFFAOYSA-N 0 0 165.211 2.732 10 30 AFEERN C=CCNc1ccc(OC)c(C)c1 50522185 343283914 /nfs/dbraw/zinc/28/39/14/343283914.db2.gz VDQXABDUJFXVHI-UHFFFAOYSA-N 0 0 177.247 2.602 10 30 AFEERN CC[C@H](C#N)n1ncc2ccccc21 50525900 343283939 /nfs/dbraw/zinc/28/39/39/343283939.db2.gz LNHZJHFWPQSDKJ-SNVBAGLBSA-N 0 0 185.230 2.511 10 30 AFEERN C[C@H](CC#N)n1ncc2ccccc21 50525892 343283992 /nfs/dbraw/zinc/28/39/92/343283992.db2.gz ZEPHLMDKPRIISJ-SECBINFHSA-N 0 0 185.230 2.511 10 30 AFEERN Cc1cc(F)ccc1C(=O)CCC#N 50568862 343284767 /nfs/dbraw/zinc/28/47/67/343284767.db2.gz RHHSAEWAMINSKV-UHFFFAOYSA-N 0 0 191.205 2.621 10 30 AFEERN CC[C@H](C)c1ccc(C#N)c(NC)n1 50871306 343286791 /nfs/dbraw/zinc/28/67/91/343286791.db2.gz LLIYXCYEQOYJBI-QMMMGPOBSA-N 0 0 189.262 2.508 10 30 AFEERN O=C(C1=CCCCC1)[C@@H]1CCCCO1 50960454 343287045 /nfs/dbraw/zinc/28/70/45/343287045.db2.gz JMECISCLEUJLLX-NSHDSACASA-N 0 0 194.274 2.625 10 30 AFEERN O=C(C1=CCCCC1)[C@H]1CCCCO1 50960456 343287055 /nfs/dbraw/zinc/28/70/55/343287055.db2.gz JMECISCLEUJLLX-LLVKDONJSA-N 0 0 194.274 2.625 10 30 AFEERN C#CCC(=O)c1ccc(Cl)cc1 51074305 343288107 /nfs/dbraw/zinc/28/81/07/343288107.db2.gz HTVXAJXWSAIUQB-UHFFFAOYSA-N 0 0 178.618 2.546 10 30 AFEERN C#CCC(=O)c1ccccc1Cl 51074371 343288625 /nfs/dbraw/zinc/28/86/25/343288625.db2.gz NXWXYTACHGEMAS-UHFFFAOYSA-N 0 0 178.618 2.546 10 30 AFEERN C#CC[C@@H](O)c1ccc(C(C)C)cc1 51074389 343288646 /nfs/dbraw/zinc/28/86/46/343288646.db2.gz XHWIJMFHHVLFKP-CYBMUJFWSA-N 0 0 188.270 2.867 10 30 AFEERN C#CC[C@H](O)c1ccc(C(C)C)cc1 51074390 343288699 /nfs/dbraw/zinc/28/86/99/343288699.db2.gz XHWIJMFHHVLFKP-ZDUSSCGKSA-N 0 0 188.270 2.867 10 30 AFEERN C[C@@H](C#N)C(=O)c1ccc(Cl)s1 51172149 343288866 /nfs/dbraw/zinc/28/88/66/343288866.db2.gz RQJHPIIJCIATTO-YFKPBYRVSA-N 0 0 199.662 2.744 10 30 AFEERN C[C@H](C#N)C(=O)c1ccc(Cl)s1 51172151 343289042 /nfs/dbraw/zinc/28/90/42/343289042.db2.gz RQJHPIIJCIATTO-RXMQYKEDSA-N 0 0 199.662 2.744 10 30 AFEERN CCCN(C)c1cc(C)ccc1C#N 51597601 343290192 /nfs/dbraw/zinc/29/01/92/343290192.db2.gz TZKIEPGCPDPLLM-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN Cc1ccc(C#N)c(NCC(C)C)c1 51578632 343290196 /nfs/dbraw/zinc/29/01/96/343290196.db2.gz XPQYSVBQOWUMCF-UHFFFAOYSA-N 0 0 188.274 2.935 10 30 AFEERN CC[C@H](C)Nc1ccc(F)c(C#N)c1 51634995 343290406 /nfs/dbraw/zinc/29/04/06/343290406.db2.gz AOIJFMIXFKBKRD-QMMMGPOBSA-N 0 0 192.237 2.908 10 30 AFEERN CC#CCNc1cccc(SC)c1 51662813 343290484 /nfs/dbraw/zinc/29/04/84/343290484.db2.gz IBQMRSDTJMZPSY-UHFFFAOYSA-N 0 0 191.299 2.844 10 30 AFEERN CC#CCNc1ccc(C)cc1C 51662785 343290519 /nfs/dbraw/zinc/29/05/19/343290519.db2.gz HNYLISLLBMLZRC-UHFFFAOYSA-N 0 0 173.259 2.739 10 30 AFEERN CC#CCNc1cccc(F)c1C 51663641 343290799 /nfs/dbraw/zinc/29/07/99/343290799.db2.gz BGLGZQWDYWMZOA-UHFFFAOYSA-N 0 0 177.222 2.569 10 30 AFEERN CC#CC[C@@H](O)c1ccc(Cl)cc1 51664680 343291021 /nfs/dbraw/zinc/29/10/21/343291021.db2.gz JYEAMWDRVUCBKS-LLVKDONJSA-N 0 0 194.661 2.787 10 30 AFEERN CC#CC[C@@H](O)C1CCC(C)CC1 51664892 343291037 /nfs/dbraw/zinc/29/10/37/343291037.db2.gz RKCYSFCVDDZWDA-HTAVTVPLSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CCC(=O)Cc1ccccc1C 51664621 343291047 /nfs/dbraw/zinc/29/10/47/343291047.db2.gz AHDCOKXRJVXOJO-UHFFFAOYSA-N 0 0 186.254 2.520 10 30 AFEERN CC#CCC(=O)c1ccccc1C 51664570 343291050 /nfs/dbraw/zinc/29/10/50/343291050.db2.gz WYFWNOHARKSNJF-UHFFFAOYSA-N 0 0 172.227 2.591 10 30 AFEERN CC#CC[C@@H]1C[C@@H](CCC)CC[C@H]1O 51666263 343291059 /nfs/dbraw/zinc/29/10/59/343291059.db2.gz KISAQZHMJVGKAX-YNEHKIRRSA-N 0 0 194.318 2.977 10 30 AFEERN CC#CC[C@H](O)[C@H]1CCC[C@H](C)C1 51664886 343291088 /nfs/dbraw/zinc/29/10/88/343291088.db2.gz CIVJPRQMMOPHCH-SRVKXCTJSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CC[C@@H]1C[C@@H](CCC)CC[C@@H]1O 51666259 343291094 /nfs/dbraw/zinc/29/10/94/343291094.db2.gz KISAQZHMJVGKAX-XQQFMLRXSA-N 0 0 194.318 2.977 10 30 AFEERN CC#CCC(=O)[C@@H]1CCC[C@H](C)C1 51664632 343291112 /nfs/dbraw/zinc/29/11/12/343291112.db2.gz GQDXJJCGYHHJAB-WDEREUQCSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CCC(=O)[C@@H]1CCC[C@@H](C)C1 51664636 343291117 /nfs/dbraw/zinc/29/11/17/343291117.db2.gz GQDXJJCGYHHJAB-GHMZBOCLSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CC[C@@H](O)c1cccc(Cl)c1 51664699 343291126 /nfs/dbraw/zinc/29/11/26/343291126.db2.gz ZZWSMMWLOGFTMZ-LLVKDONJSA-N 0 0 194.661 2.787 10 30 AFEERN CC#CC[C@@H]1C[C@H](CC)CC[C@H]1O 51666253 343291129 /nfs/dbraw/zinc/29/11/29/343291129.db2.gz OZYGLRGNDBRSBJ-IJLUTSLNSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CCC(=O)c1ccc(CC)cc1 51664546 343291135 /nfs/dbraw/zinc/29/11/35/343291135.db2.gz YEWAMXZYWRYEGT-UHFFFAOYSA-N 0 0 186.254 2.845 10 30 AFEERN CC#CC[C@@H]1C[C@H](CCC)CC[C@H]1O 51666261 343291151 /nfs/dbraw/zinc/29/11/51/343291151.db2.gz KISAQZHMJVGKAX-JHJVBQTASA-N 0 0 194.318 2.977 10 30 AFEERN CC#CC[C@@H](O)c1ccc(CC)cc1 51664730 343291163 /nfs/dbraw/zinc/29/11/63/343291163.db2.gz UBCJSEJUBBUJQY-CYBMUJFWSA-N 0 0 188.270 2.696 10 30 AFEERN CC#CCC(=O)C1CCC(C)CC1 51664640 343291185 /nfs/dbraw/zinc/29/11/85/343291185.db2.gz NOIXRORLZXHING-UHFFFAOYSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CC[C@H](O)[C@@H]1CCC[C@H](C)C1 51664883 343291187 /nfs/dbraw/zinc/29/11/87/343291187.db2.gz CIVJPRQMMOPHCH-TUAOUCFPSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CC[C@@H]1C[C@@H](CC)CC[C@H]1O 51666255 343291191 /nfs/dbraw/zinc/29/11/91/343291191.db2.gz OZYGLRGNDBRSBJ-QJPTWQEYSA-N 0 0 180.291 2.587 10 30 AFEERN CCC(=O)CCC#Cc1ccccc1 51814631 343293989 /nfs/dbraw/zinc/29/39/89/343293989.db2.gz IHEXYLSZVIABFA-UHFFFAOYSA-N 0 0 186.254 2.797 10 30 AFEERN Cc1c(C#N)oc2c(F)cc(F)cc12 52068734 343299452 /nfs/dbraw/zinc/29/94/52/343299452.db2.gz QFVWCJSVZTZBRB-UHFFFAOYSA-N 0 0 193.152 2.891 10 30 AFEERN Cc1cc(C)c2oc(C#N)cc2c1 52068822 343299523 /nfs/dbraw/zinc/29/95/23/343299523.db2.gz WLEHEMIAVVCCLG-UHFFFAOYSA-N 0 0 171.199 2.921 10 30 AFEERN C=C[C@H](C)[C@@H]1Cc2ccccc2C1=O 52143364 343301322 /nfs/dbraw/zinc/30/13/22/343301322.db2.gz BGUYCZDSTLYQRN-CABZTGNLSA-N 0 0 186.254 2.864 10 30 AFEERN C=C[C@@H](C)[C@@H]1CCCCCC1=O 52143396 343301368 /nfs/dbraw/zinc/30/13/68/343301368.db2.gz KVZGYNZJZMPPKC-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H](C)Oc1ccccc1C(C)=O 52142222 343301374 /nfs/dbraw/zinc/30/13/74/343301374.db2.gz FHCQSQBFWMJIDW-SECBINFHSA-N 0 0 190.242 2.843 10 30 AFEERN C=C[C@H](C)Oc1ccccc1C(C)=O 52142219 343301398 /nfs/dbraw/zinc/30/13/98/343301398.db2.gz FHCQSQBFWMJIDW-VIFPVBQESA-N 0 0 190.242 2.843 10 30 AFEERN C=C[C@H](C)Oc1cccc(C#N)c1 52142192 343301402 /nfs/dbraw/zinc/30/14/02/343301402.db2.gz TVESXPWYORKHOU-VIFPVBQESA-N 0 0 173.215 2.512 10 30 AFEERN CC#CCC(=O)c1cc(F)ccc1C 52138536 343301404 /nfs/dbraw/zinc/30/14/04/343301404.db2.gz XGSGRAHLCYFQLF-UHFFFAOYSA-N 0 0 190.217 2.730 10 30 AFEERN C=C[C@@H](C)Oc1ccc(C#N)cc1 52142189 343301405 /nfs/dbraw/zinc/30/14/05/343301405.db2.gz RFLMBPRTTJDJIU-SECBINFHSA-N 0 0 173.215 2.512 10 30 AFEERN C=C[C@H](C)[C@@H]1CCCCCC1=O 52143393 343301413 /nfs/dbraw/zinc/30/14/13/343301413.db2.gz KVZGYNZJZMPPKC-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H](C)[C@@H]1C[C@H](C)CCC1=O 52143403 343301446 /nfs/dbraw/zinc/30/14/46/343301446.db2.gz VGSRHFNZRGLHHI-UTLUCORTSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@@H](C)[C@H]1Cc2ccccc2C1=O 52143371 343301448 /nfs/dbraw/zinc/30/14/48/343301448.db2.gz BGUYCZDSTLYQRN-BXKDBHETSA-N 0 0 186.254 2.864 10 30 AFEERN C=C[C@@H](C)[C@@H]1Cc2ccccc2C1=O 52143367 343301482 /nfs/dbraw/zinc/30/14/82/343301482.db2.gz BGUYCZDSTLYQRN-SKDRFNHKSA-N 0 0 186.254 2.864 10 30 AFEERN C=C[C@H](C)Oc1ccc(C#N)cc1 52142187 343301535 /nfs/dbraw/zinc/30/15/35/343301535.db2.gz RFLMBPRTTJDJIU-VIFPVBQESA-N 0 0 173.215 2.512 10 30 AFEERN C=C[C@H](C)[C@H]1CCCCCC1=O 52143398 343301537 /nfs/dbraw/zinc/30/15/37/343301537.db2.gz KVZGYNZJZMPPKC-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H](C)[C@H]1C[C@H](C)CCC1=O 52143408 343301545 /nfs/dbraw/zinc/30/15/45/343301545.db2.gz VGSRHFNZRGLHHI-KXUCPTDWSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@H]1C[C@@H]1Nc1ccc(C#N)cc1F 52291436 343304564 /nfs/dbraw/zinc/30/45/64/343304564.db2.gz MSILOJLTIRGOIE-CPCISQLKSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@H]1C[C@H]1Nc1ccc(C#N)cc1F 52291440 343304614 /nfs/dbraw/zinc/30/46/14/343304614.db2.gz MSILOJLTIRGOIE-WRWORJQWSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@H](C#N)N(C)C1CCCCCC1 52684719 343306594 /nfs/dbraw/zinc/30/65/94/343306594.db2.gz TUYUMADSHPXAPX-SNVBAGLBSA-N 0 0 180.295 2.553 10 30 AFEERN CC(C)C(=O)[C@@H](C#N)c1cccs1 52902526 343311436 /nfs/dbraw/zinc/31/14/36/343311436.db2.gz RAKYBFAESLBUKG-QMMMGPOBSA-N 0 0 193.271 2.580 10 30 AFEERN CC(C)C(=O)[C@H](C#N)c1cccs1 52902527 343311549 /nfs/dbraw/zinc/31/15/49/343311549.db2.gz RAKYBFAESLBUKG-MRVPVSSYSA-N 0 0 193.271 2.580 10 30 AFEERN CC(C)Oc1cccc(Cl)c1C#N 52909062 343312026 /nfs/dbraw/zinc/31/20/26/343312026.db2.gz ILAMHHJKNVSYSK-UHFFFAOYSA-N 0 0 195.649 2.999 10 30 AFEERN C=CCOc1cccc(Cl)c1C#N 52909108 343312041 /nfs/dbraw/zinc/31/20/41/343312041.db2.gz ZAGFIXSGJDSOTA-UHFFFAOYSA-N 0 0 193.633 2.776 10 30 AFEERN C#CCOc1ccc(C)cc1Cl 53278352 343313743 /nfs/dbraw/zinc/31/37/43/343313743.db2.gz DPSYEXQOIAJVHK-UHFFFAOYSA-N 0 0 180.634 2.660 10 30 AFEERN C[C@H](C#N)C(=O)C1CCCCCC1 53714855 343315078 /nfs/dbraw/zinc/31/50/78/343315078.db2.gz SAJSWQYPFNZEKO-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@@H](C#N)C(=O)C1CCCCCC1 53714854 343315264 /nfs/dbraw/zinc/31/52/64/343315264.db2.gz SAJSWQYPFNZEKO-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C[C@](C#N)(C1CCCC1)N1CCCC1 54082297 343317805 /nfs/dbraw/zinc/31/78/05/343317805.db2.gz MSLDXIYZDUTKJC-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@](Cl)(C#N)C1CCCC1 54082342 343317931 /nfs/dbraw/zinc/31/79/31/343317931.db2.gz BDKIWEFSSDCDFT-QMMMGPOBSA-N 0 0 157.644 2.698 10 30 AFEERN C[C@@](C#N)(C1CCCC1)N1CCCC1 54082296 343317948 /nfs/dbraw/zinc/31/79/48/343317948.db2.gz MSLDXIYZDUTKJC-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@@](Cl)(C#N)C1CCCC1 54082340 343317954 /nfs/dbraw/zinc/31/79/54/343317954.db2.gz BDKIWEFSSDCDFT-MRVPVSSYSA-N 0 0 157.644 2.698 10 30 AFEERN Cc1ccc(O[C@@H](C)C#N)c(Cl)c1 54351215 343322063 /nfs/dbraw/zinc/32/20/63/343322063.db2.gz ASEWTRRYTQQPLY-QMMMGPOBSA-N 0 0 195.649 2.939 10 30 AFEERN Cc1ccc(O[C@H](C)C#N)c(Cl)c1 54351219 343322109 /nfs/dbraw/zinc/32/21/09/343322109.db2.gz ASEWTRRYTQQPLY-MRVPVSSYSA-N 0 0 195.649 2.939 10 30 AFEERN CCC(C)(C)c1cc(N)c(C#N)s1 54404432 343323303 /nfs/dbraw/zinc/32/33/03/343323303.db2.gz RSAIZMCCKNLBCM-UHFFFAOYSA-N 0 0 194.303 2.890 10 30 AFEERN CC(C)C1CCC(C#N)(N(C)C)CC1 54557603 343325895 /nfs/dbraw/zinc/32/58/95/343325895.db2.gz PLNVGOKKEPXCHF-UHFFFAOYSA-N 0 0 194.322 2.657 10 30 AFEERN C#CC[C@H]1C[C@@H](C(C)C)CCC1=O 54629827 343326991 /nfs/dbraw/zinc/32/69/91/343326991.db2.gz WHGZNIZJFHKKEB-QWRGUYRKSA-N 0 0 178.275 2.651 10 30 AFEERN C#CC[C@@H]1C[C@H](C(C)C)CCC1=O 54629821 343327055 /nfs/dbraw/zinc/32/70/55/343327055.db2.gz WHGZNIZJFHKKEB-GHMZBOCLSA-N 0 0 178.275 2.651 10 30 AFEERN C#CC[C@@H]1C[C@@H](C(C)C)CCC1=O 54629823 343327151 /nfs/dbraw/zinc/32/71/51/343327151.db2.gz WHGZNIZJFHKKEB-WDEREUQCSA-N 0 0 178.275 2.651 10 30 AFEERN C#CC[C@H]1C[C@H](C(C)C)CCC1=O 54629826 343327184 /nfs/dbraw/zinc/32/71/84/343327184.db2.gz WHGZNIZJFHKKEB-MNOVXSKESA-N 0 0 178.275 2.651 10 30 AFEERN C#CCS[C@@H]1CCC[C@H](C)C1 54694369 343327700 /nfs/dbraw/zinc/32/77/00/343327700.db2.gz ZKQONSRKXXFUNM-VHSXEESVSA-N 0 0 168.305 2.932 10 30 AFEERN C#CCS[C@@H]1CCC[C@@H](C)C1 54694366 343327882 /nfs/dbraw/zinc/32/78/82/343327882.db2.gz ZKQONSRKXXFUNM-NXEZZACHSA-N 0 0 168.305 2.932 10 30 AFEERN C#CCS[C@H]1CCC[C@H](C)C1 54694365 343327903 /nfs/dbraw/zinc/32/79/03/343327903.db2.gz ZKQONSRKXXFUNM-UWVGGRQHSA-N 0 0 168.305 2.932 10 30 AFEERN C#CCS[C@H]1CCC[C@@H](C)C1 54694363 343327930 /nfs/dbraw/zinc/32/79/30/343327930.db2.gz ZKQONSRKXXFUNM-ZJUUUORDSA-N 0 0 168.305 2.932 10 30 AFEERN CC[C@H](C#N)Oc1cc(F)cc(F)c1 54933074 343331726 /nfs/dbraw/zinc/33/17/26/343331726.db2.gz GXQCATIKQAMHMS-SECBINFHSA-N 0 0 197.184 2.646 10 30 AFEERN N#Cc1cc2c(F)cc(F)cc2o1 54932587 343331827 /nfs/dbraw/zinc/33/18/27/343331827.db2.gz WCAXEQCGFRYNIG-UHFFFAOYSA-N 0 0 179.125 2.583 10 30 AFEERN CC[C@@H](C#N)Oc1cc(F)cc(F)c1 54933073 343331884 /nfs/dbraw/zinc/33/18/84/343331884.db2.gz GXQCATIKQAMHMS-VIFPVBQESA-N 0 0 197.184 2.646 10 30 AFEERN c1ccc2c(c1)CCCC[C@@]21CO1 55026910 343332545 /nfs/dbraw/zinc/33/25/45/343332545.db2.gz RSWBRZKXGOSTRI-GFCCVEGCSA-N 0 0 174.243 2.639 10 30 AFEERN c1ccc2c(c1)CCCC[C@]21CO1 55026911 343332687 /nfs/dbraw/zinc/33/26/87/343332687.db2.gz RSWBRZKXGOSTRI-LBPRGKRZSA-N 0 0 174.243 2.639 10 30 AFEERN C#CCSCc1cccc(C)c1 54966237 343332730 /nfs/dbraw/zinc/33/27/30/343332730.db2.gz ATWRXCNLLQSEOZ-UHFFFAOYSA-N 0 0 176.284 2.861 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)C[C@@]12CO2 55027042 343333035 /nfs/dbraw/zinc/33/30/35/343333035.db2.gz BJPUHZQRGZKFJL-GMTAPVOTSA-N 0 0 168.280 2.848 10 30 AFEERN CCc1ccc([C@@]2(CC)CO2)cc1 55032462 343333269 /nfs/dbraw/zinc/33/32/69/343333269.db2.gz ISNDSEDGZSAACM-GFCCVEGCSA-N 0 0 176.259 2.885 10 30 AFEERN CCc1ccc([C@]2(CC)CO2)cc1 55032460 343333323 /nfs/dbraw/zinc/33/33/23/343333323.db2.gz ISNDSEDGZSAACM-LBPRGKRZSA-N 0 0 176.259 2.885 10 30 AFEERN CC[C@@]1(c2ccc(C)cc2)CO1 55032347 343333362 /nfs/dbraw/zinc/33/33/62/343333362.db2.gz KCGKNPGUPYANDW-NSHDSACASA-N 0 0 162.232 2.631 10 30 AFEERN CC(C)C[C@]1(c2ccccc2)CO1 55032504 343333492 /nfs/dbraw/zinc/33/34/92/343333492.db2.gz QFQJWAAZNFCLQJ-GFCCVEGCSA-N 0 0 176.259 2.958 10 30 AFEERN CC[C@]1(c2ccc(C)cc2)CO1 55032344 343333520 /nfs/dbraw/zinc/33/35/20/343333520.db2.gz KCGKNPGUPYANDW-LLVKDONJSA-N 0 0 162.232 2.631 10 30 AFEERN CSc1ccc(/C(C)=N/O)cc1 57324206 343336549 /nfs/dbraw/zinc/33/65/49/343336549.db2.gz YSHAJQXZRQKQPJ-JXMROGBWSA-N 0 0 181.260 2.607 10 30 AFEERN CCC/C(=N/O)c1ccccc1 57324279 343336846 /nfs/dbraw/zinc/33/68/46/343336846.db2.gz JDFNNPHDXMUFHJ-KHPPLWFESA-N 0 0 163.220 2.665 10 30 AFEERN N#CCCCSC1CCCC1 57406854 343337162 /nfs/dbraw/zinc/33/71/62/343337162.db2.gz GRYLEGUUFYLDHQ-UHFFFAOYSA-N 0 0 169.293 2.966 10 30 AFEERN Cc1cc(Cl)ccc1N[C@H](C)C#N 57489580 343337550 /nfs/dbraw/zinc/33/75/50/343337550.db2.gz BPNFCGGGRGTQGN-MRVPVSSYSA-N 0 0 194.665 2.972 10 30 AFEERN Cc1cc(Cl)ccc1N[C@@H](C)C#N 57489577 343337596 /nfs/dbraw/zinc/33/75/96/343337596.db2.gz BPNFCGGGRGTQGN-QMMMGPOBSA-N 0 0 194.665 2.972 10 30 AFEERN C[C@H](C#N)Nc1ccc(F)c(Cl)c1 57490497 343337746 /nfs/dbraw/zinc/33/77/46/343337746.db2.gz WQSQIESKJPEELL-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN C[C@@H](C#N)CSC1CCCC1 58443046 343339519 /nfs/dbraw/zinc/33/95/19/343339519.db2.gz BAYJRYWUFPEVIT-QMMMGPOBSA-N 0 0 169.293 2.822 10 30 AFEERN C[C@H](C#N)CSC1CCCC1 58443043 343339706 /nfs/dbraw/zinc/33/97/06/343339706.db2.gz BAYJRYWUFPEVIT-MRVPVSSYSA-N 0 0 169.293 2.822 10 30 AFEERN CC(C)CN(C)c1cccc(C#N)c1 59184014 343342434 /nfs/dbraw/zinc/34/24/34/343342434.db2.gz PWMOQHGAQJMHBC-UHFFFAOYSA-N 0 0 188.274 2.650 10 30 AFEERN C/C=C/CN(C)c1cccc(C#N)c1 59183992 343342681 /nfs/dbraw/zinc/34/26/81/343342681.db2.gz BASZGMWNSJDJRT-ONEGZZNKSA-N 0 0 186.258 2.571 10 30 AFEERN C=C(C)CN(C)c1cccc(C#N)c1 59183976 343342741 /nfs/dbraw/zinc/34/27/41/343342741.db2.gz COZOCWGFGYZYLY-UHFFFAOYSA-N 0 0 186.258 2.571 10 30 AFEERN CC(C)(C)C(C)(C)C#N 59208887 343343030 /nfs/dbraw/zinc/34/30/30/343343030.db2.gz MOSJNBGPCBBNCG-UHFFFAOYSA-N 0 0 125.215 2.582 10 30 AFEERN C=CCCc1ccsc1 59217451 343343268 /nfs/dbraw/zinc/34/32/68/343343268.db2.gz QPJDEBNABBGBKS-UHFFFAOYSA-N 0 0 138.235 2.867 10 30 AFEERN C=C(C)/C=C/CC 59305422 343343663 /nfs/dbraw/zinc/34/36/63/343343663.db2.gz KUFLEYZWYCAZCC-AATRIKPKSA-N 0 0 96.173 2.529 10 30 AFEERN CCCCCCC=C=CC(C)=O 59245711 343343776 /nfs/dbraw/zinc/34/37/76/343343776.db2.gz QPYADGGBCPWJTK-UHFFFAOYSA-N 0 0 166.264 2.939 10 30 AFEERN C=C(C)C(=O)OCc1cccc(C)c1 59318022 343344015 /nfs/dbraw/zinc/34/40/15/343344015.db2.gz URIOHGXETKQAEG-UHFFFAOYSA-N 0 0 190.242 2.614 10 30 AFEERN C[C@@H](C#N)O[C@H](C)c1ccccc1 59369410 343344339 /nfs/dbraw/zinc/34/43/39/343344339.db2.gz MWGRUQDWBVLUIW-VHSXEESVSA-N 0 0 175.231 2.676 10 30 AFEERN C[C@@H](C#N)O[C@@H](C)c1ccccc1 59369405 343344431 /nfs/dbraw/zinc/34/44/31/343344431.db2.gz MWGRUQDWBVLUIW-UWVGGRQHSA-N 0 0 175.231 2.676 10 30 AFEERN COc1cccc2c1CCC[C@H]2C#N 59429590 343344644 /nfs/dbraw/zinc/34/46/44/343344644.db2.gz ZABVBTPROSFSNH-VIFPVBQESA-N 0 0 187.242 2.639 10 30 AFEERN COc1cccc2c1CCC[C@@H]2C#N 59429589 343344721 /nfs/dbraw/zinc/34/47/21/343344721.db2.gz ZABVBTPROSFSNH-SECBINFHSA-N 0 0 187.242 2.639 10 30 AFEERN SCCCCOCc1ccccc1 59521085 343345356 /nfs/dbraw/zinc/34/53/56/343345356.db2.gz MCBAHMQTACGYRD-UHFFFAOYSA-N 0 0 196.315 2.913 10 30 AFEERN CSC[C@@H](C#N)c1ccccc1 59566267 343345736 /nfs/dbraw/zinc/34/57/36/343345736.db2.gz UGHICTDNXMQNCW-SNVBAGLBSA-N 0 0 177.272 2.657 10 30 AFEERN CSC[C@H](C#N)c1ccccc1 59566269 343345842 /nfs/dbraw/zinc/34/58/42/343345842.db2.gz UGHICTDNXMQNCW-JTQLQIEISA-N 0 0 177.272 2.657 10 30 AFEERN CC/C=C\C/C=C\CCC=O 59727319 343347217 /nfs/dbraw/zinc/34/72/17/343347217.db2.gz MZLGFRRNMCCNBB-CWWKMNTPSA-N 0 0 152.237 2.878 10 30 AFEERN CCCCCC/C=C\CCO 59724843 343347230 /nfs/dbraw/zinc/34/72/30/343347230.db2.gz MTIJDFJGPCJFKE-FPLPWBNLSA-N 0 0 156.269 2.895 10 30 endogenous,in-man AFEERN C/C(=N\O)c1cc(C)ccc1Cl 60083999 343350427 /nfs/dbraw/zinc/35/04/27/343350427.db2.gz UAMQSCNYJGXYIX-YRNVUSSQSA-N 0 0 183.638 2.847 10 30 AFEERN CC#CCC/C=C(\C)CCC=O 60081079 343350588 /nfs/dbraw/zinc/35/05/88/343350588.db2.gz QHUIUBOZCIGHHA-DHZHZOJOSA-N 0 0 164.248 2.715 10 30 AFEERN O=CCCc1cc2ccccc2o1 60111246 343351218 /nfs/dbraw/zinc/35/12/18/343351218.db2.gz KZFSMPIQGQWDOM-UHFFFAOYSA-N 0 0 174.199 2.564 10 30 AFEERN N#Cc1ccc(C(F)F)c(F)c1F 60149870 343351466 /nfs/dbraw/zinc/35/14/66/343351466.db2.gz INZVPNFWYMCMED-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN CC(C)C(C)(C)CCC#N 60248026 343352085 /nfs/dbraw/zinc/35/20/85/343352085.db2.gz BWVYVVULWLVWBA-UHFFFAOYSA-N 0 0 139.242 2.972 10 30 AFEERN C=C(C)C(=O)c1ccc(N(C)C)cc1 60254472 343352563 /nfs/dbraw/zinc/35/25/63/343352563.db2.gz MSYFDEPGHQOKAR-UHFFFAOYSA-N 0 0 189.258 2.511 10 30 AFEERN C=C(C)CCC(=O)OC(C)(C)C 60295181 343352787 /nfs/dbraw/zinc/35/27/87/343352787.db2.gz IGVOOVOMGZONNY-UHFFFAOYSA-N 0 0 170.252 2.684 10 30 AFEERN COc1ccc(/C=C/CCC=O)cc1 60294557 343352934 /nfs/dbraw/zinc/35/29/34/343352934.db2.gz KLISBOGZHUDFCL-HWKANZROSA-N 0 0 190.242 2.688 10 30 AFEERN C#CC1(O)CCC(C(C)(C)CC)CC1 60268990 343352947 /nfs/dbraw/zinc/35/29/47/343352947.db2.gz DOJFOVGXYDQZLV-UHFFFAOYSA-N 0 0 194.318 2.977 10 30 AFEERN Cc1cc(C)c(CCC=O)c(C)c1 60710461 343353716 /nfs/dbraw/zinc/35/37/16/343353716.db2.gz ZKIPEUIKAACMKE-UHFFFAOYSA-N 0 0 176.259 2.743 10 30 AFEERN CC[C@@H](C#N)Nc1ccc(F)c(C)c1 61097672 343354927 /nfs/dbraw/zinc/35/49/27/343354927.db2.gz KQZMRCDKZNAFHH-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@H](C#N)Nc1ccc(F)c(C)c1 61097673 343354980 /nfs/dbraw/zinc/35/49/80/343354980.db2.gz KQZMRCDKZNAFHH-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN Cc1cc(NC[C@H](C)C#N)ccc1F 61097099 343355070 /nfs/dbraw/zinc/35/50/70/343355070.db2.gz XQHROJJPMPVCNH-MRVPVSSYSA-N 0 0 192.237 2.706 10 30 AFEERN Cc1cc(NC[C@@H](C)C#N)ccc1F 61097097 343355085 /nfs/dbraw/zinc/35/50/85/343355085.db2.gz XQHROJJPMPVCNH-QMMMGPOBSA-N 0 0 192.237 2.706 10 30 AFEERN Cc1cc(NCCCC#N)ccc1F 61096750 343355174 /nfs/dbraw/zinc/35/51/74/343355174.db2.gz OXPVPYZVIYCPTO-UHFFFAOYSA-N 0 0 192.237 2.850 10 30 AFEERN CC#CCNc1cc(F)cc(F)c1F 61095671 343355194 /nfs/dbraw/zinc/35/51/94/343355194.db2.gz XSDKHUFJMDZUEW-UHFFFAOYSA-N 0 0 199.175 2.539 10 30 AFEERN N#CCc1csc(C2CCCC2)n1 61798147 343363383 /nfs/dbraw/zinc/36/33/83/343363383.db2.gz DRIDLIBTWDNQFN-UHFFFAOYSA-N 0 0 192.287 2.867 10 30 AFEERN CC(C)CSc1ccnc(C#N)c1 61815518 343364078 /nfs/dbraw/zinc/36/40/78/343364078.db2.gz XWINFWJJFIAHIM-UHFFFAOYSA-N 0 0 192.287 2.701 10 30 AFEERN CC(C)(C)C[C@@H](C#N)N1CCCCC1 61840634 343364941 /nfs/dbraw/zinc/36/49/41/343364941.db2.gz WJOOAZHFCWKWRF-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)(C)C[C@H](C#N)N1CCCCC1 61840635 343364978 /nfs/dbraw/zinc/36/49/78/343364978.db2.gz WJOOAZHFCWKWRF-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN C#CC[C@H](O)c1ccc(F)cc1Cl 61845859 343365645 /nfs/dbraw/zinc/36/56/45/343365645.db2.gz XUBKRRYQVOAYHZ-JTQLQIEISA-N 0 0 198.624 2.536 10 30 AFEERN CCN(C)c1ccc(C#N)c(Cl)c1 61850808 343365682 /nfs/dbraw/zinc/36/56/82/343365682.db2.gz ZFDVZWHHWPCUKQ-UHFFFAOYSA-N 0 0 194.665 2.668 10 30 AFEERN C#CCC(=O)c1ccc(F)cc1Cl 61845605 343365865 /nfs/dbraw/zinc/36/58/65/343365865.db2.gz SJQLOZWXFGLMBH-UHFFFAOYSA-N 0 0 196.608 2.685 10 30 AFEERN C#CC[C@@H](O)c1ccc(F)cc1Cl 61845860 343365887 /nfs/dbraw/zinc/36/58/87/343365887.db2.gz XUBKRRYQVOAYHZ-SNVBAGLBSA-N 0 0 198.624 2.536 10 30 AFEERN N#CCCCCSC1CCOCC1 62054418 343370246 /nfs/dbraw/zinc/37/02/46/343370246.db2.gz UOMFEHBRHHSDRX-UHFFFAOYSA-N 0 0 199.319 2.592 10 30 AFEERN O=C(C1=CCCCC1)c1cscn1 62354685 343373745 /nfs/dbraw/zinc/37/37/45/343373745.db2.gz UGDARHJBWIDTOE-UHFFFAOYSA-N 0 0 193.271 2.826 10 30 AFEERN Cc1ccc2ccn(CCC=O)c2c1 62542617 343374618 /nfs/dbraw/zinc/37/46/18/343374618.db2.gz MSMSANQVTFDMHS-UHFFFAOYSA-N 0 0 187.242 2.539 10 30 AFEERN Cc1ccccc1CSCCC=O 62547098 343374719 /nfs/dbraw/zinc/37/47/19/343374719.db2.gz YGJUJOUWRAWDRC-UHFFFAOYSA-N 0 0 194.299 2.817 10 30 AFEERN Cc1cccc(CSCCC=O)c1 62547116 343374787 /nfs/dbraw/zinc/37/47/87/343374787.db2.gz SUFHJGMEUHCAOE-UHFFFAOYSA-N 0 0 194.299 2.817 10 30 AFEERN Cc1cc2ccccc2n1CCC=O 62542426 343374835 /nfs/dbraw/zinc/37/48/35/343374835.db2.gz SVFSGBKUCIEPGB-UHFFFAOYSA-N 0 0 187.242 2.539 10 30 AFEERN O=CCCSc1ccccc1F 62546705 343374926 /nfs/dbraw/zinc/37/49/26/343374926.db2.gz NXVDHKHZLBQSPK-UHFFFAOYSA-N 0 0 184.235 2.507 10 30 AFEERN CC[C@H](C)Oc1cccc(F)c1C#N 62567717 343376421 /nfs/dbraw/zinc/37/64/21/343376421.db2.gz ZOZYLVRSWJLPCH-QMMMGPOBSA-N 0 0 193.221 2.875 10 30 AFEERN C#Cc1cccc2ccc(C)nc12 62605433 343376728 /nfs/dbraw/zinc/37/67/28/343376728.db2.gz LKLYFOJMPZBURW-UHFFFAOYSA-N 0 0 167.211 2.525 10 30 AFEERN C#Cc1ccc(SC(F)F)cc1 62605340 343376740 /nfs/dbraw/zinc/37/67/40/343376740.db2.gz LWXSJVSCSJMRPO-UHFFFAOYSA-N 0 0 184.210 2.983 10 30 AFEERN C#Cc1ccc(C)c(C(F)(F)F)c1 62605449 343376749 /nfs/dbraw/zinc/37/67/49/343376749.db2.gz HQIJMKGALWPHKN-UHFFFAOYSA-N 0 0 184.160 2.995 10 30 AFEERN CC[C@@H](C#N)Oc1cccc(F)c1F 62614840 343376790 /nfs/dbraw/zinc/37/67/90/343376790.db2.gz USUYVWNRRLZSME-ZETCQYMHSA-N 0 0 197.184 2.646 10 30 AFEERN C#Cc1ccccc1CCC 62605446 343376865 /nfs/dbraw/zinc/37/68/65/343376865.db2.gz LCACDTHKDBXXRO-UHFFFAOYSA-N 0 0 144.217 2.620 10 30 AFEERN C#Cc1cc(Cl)ccc1C 62605391 343376897 /nfs/dbraw/zinc/37/68/97/343376897.db2.gz QQHSALVTGUSGAV-UHFFFAOYSA-N 0 0 150.608 2.630 10 30 AFEERN C#Cc1cccc(O[C@H](C)CC)c1 62605415 343377040 /nfs/dbraw/zinc/37/70/40/343377040.db2.gz YKDQKPRCRJXPSV-SNVBAGLBSA-N 0 0 174.243 2.845 10 30 AFEERN CC[C@H](C#N)Oc1cccc(F)c1F 62614841 343377048 /nfs/dbraw/zinc/37/70/48/343377048.db2.gz USUYVWNRRLZSME-SSDOTTSWSA-N 0 0 197.184 2.646 10 30 AFEERN C#Cc1cccc(O[C@@H](C)CC)c1 62605417 343377069 /nfs/dbraw/zinc/37/70/69/343377069.db2.gz YKDQKPRCRJXPSV-JTQLQIEISA-N 0 0 174.243 2.845 10 30 AFEERN CC#CCC(=O)C1(c2ccccc2)CC1 62780504 343379870 /nfs/dbraw/zinc/37/98/70/343379870.db2.gz DXOKUQRKWCNHFS-UHFFFAOYSA-N 0 0 198.265 2.701 10 30 AFEERN C#CC[C@H](O)c1ccc(Cl)cc1F 62785575 343380150 /nfs/dbraw/zinc/38/01/50/343380150.db2.gz ZUVYFZDIJYQORF-JTQLQIEISA-N 0 0 198.624 2.536 10 30 AFEERN C#CC[C@@H](O)c1ccc(Cl)cc1F 62785576 343380163 /nfs/dbraw/zinc/38/01/63/343380163.db2.gz ZUVYFZDIJYQORF-SNVBAGLBSA-N 0 0 198.624 2.536 10 30 AFEERN CCN(C)c1cc(Cl)ccc1C#N 62789876 343380198 /nfs/dbraw/zinc/38/01/98/343380198.db2.gz UYAONXILWOSZSI-UHFFFAOYSA-N 0 0 194.665 2.668 10 30 AFEERN C=C=CC(=O)c1cc2ccccc2o1 62797240 343380204 /nfs/dbraw/zinc/38/02/04/343380204.db2.gz KYYSIMCDZOFWAN-UHFFFAOYSA-N 0 0 184.194 2.639 10 30 AFEERN C=C=CC(=O)c1ccc(Cl)cc1F 62785304 343380229 /nfs/dbraw/zinc/38/02/29/343380229.db2.gz OWJISFZOEOTJHJ-UHFFFAOYSA-N 0 0 196.608 2.685 10 30 AFEERN C#CCC(=O)c1ccc(F)c(Cl)c1 62791779 343380242 /nfs/dbraw/zinc/38/02/42/343380242.db2.gz UCDPOCXJBMOXCF-UHFFFAOYSA-N 0 0 196.608 2.685 10 30 AFEERN CCN(C)c1ccc(C#N)cc1Cl 62793629 343380307 /nfs/dbraw/zinc/38/03/07/343380307.db2.gz NRHZBFPVYJXTQB-UHFFFAOYSA-N 0 0 194.665 2.668 10 30 AFEERN CSc1cc(Cl)ccc1C#N 62790309 343380314 /nfs/dbraw/zinc/38/03/14/343380314.db2.gz FKVIHYIDJOIHFQ-UHFFFAOYSA-N 0 0 183.663 2.934 10 30 AFEERN CC[C@H](C#N)N1CCC(C)(CC)CC1 62953777 343388238 /nfs/dbraw/zinc/38/82/38/343388238.db2.gz FCQGNVFBRMVLBI-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@H](C#N)N1CCC(C)(CC)CC1 62953776 343388375 /nfs/dbraw/zinc/38/83/75/343388375.db2.gz FCQGNVFBRMVLBI-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)C(=N)Nc1c(F)cccc1F 62989470 343392495 /nfs/dbraw/zinc/39/24/95/343392495.db2.gz RVPBWSUDSCHAFS-UHFFFAOYSA-N 0 0 198.216 2.610 10 30 AFEERN C#CC[C@]1(O)CCCC[C@@H]1C(C)(C)C 63076700 343400903 /nfs/dbraw/zinc/40/09/03/343400903.db2.gz BXDGMBGMLPMGKR-YPMHNXCESA-N 0 0 194.318 2.977 10 30 AFEERN C#CC[C@@]1(O)CCCC[C@H]1C(C)(C)C 63076697 343400919 /nfs/dbraw/zinc/40/09/19/343400919.db2.gz BXDGMBGMLPMGKR-WCQYABFASA-N 0 0 194.318 2.977 10 30 AFEERN C#CCC1(O)CCC(CCC)CC1 63076680 343400979 /nfs/dbraw/zinc/40/09/79/343400979.db2.gz BTRXFDMPSNWERF-UHFFFAOYSA-N 0 0 180.291 2.731 10 30 AFEERN CC=CC(=O)c1ccc2ccccc2n1 63075554 343401065 /nfs/dbraw/zinc/40/10/65/343401065.db2.gz LASXRRCGUYMASZ-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN C#CC[C@]1(O)CCCC[C@H]1C(C)(C)C 63076699 343401072 /nfs/dbraw/zinc/40/10/72/343401072.db2.gz BXDGMBGMLPMGKR-AAEUAGOBSA-N 0 0 194.318 2.977 10 30 AFEERN C#CC[C@@]1(O)CCCC[C@@H]1C(C)(C)C 63076698 343401095 /nfs/dbraw/zinc/40/10/95/343401095.db2.gz BXDGMBGMLPMGKR-DGCLKSJQSA-N 0 0 194.318 2.977 10 30 AFEERN Cc1cc2ccccc2nc1CC#N 63107191 343403160 /nfs/dbraw/zinc/40/31/60/343403160.db2.gz JEWSHPHJEJXQFR-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN C=CCn1cc(C)c(C)c1C 68944346 343415855 /nfs/dbraw/zinc/41/58/55/343415855.db2.gz KSJAVYDQYDKEEI-UHFFFAOYSA-N 0 0 149.237 2.599 10 30 AFEERN Cc1cn(CCCC#N)c(C)c1C 68944340 343415859 /nfs/dbraw/zinc/41/58/59/343415859.db2.gz ZFNPAPOGGBPXAI-UHFFFAOYSA-N 0 0 176.263 2.717 10 30 AFEERN CC=CC(=O)c1nccc2ccccc12 68958847 343417999 /nfs/dbraw/zinc/41/79/99/343417999.db2.gz QCHMNHYXOUBEKI-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN FC(F)(F)[C@H]1CCC[C@]2(CO2)C1 69387845 343425351 /nfs/dbraw/zinc/42/53/51/343425351.db2.gz APAABXPITXQFRB-NKWVEPMBSA-N 0 0 180.169 2.508 10 30 AFEERN FC(F)(F)[C@@H]1CCC[C@]2(CO2)C1 69387850 343425367 /nfs/dbraw/zinc/42/53/67/343425367.db2.gz APAABXPITXQFRB-RNFRBKRXSA-N 0 0 180.169 2.508 10 30 AFEERN FC(F)(F)[C@@H]1CCC[C@@]2(CO2)C1 69387839 343425375 /nfs/dbraw/zinc/42/53/75/343425375.db2.gz APAABXPITXQFRB-RQJHMYQMSA-N 0 0 180.169 2.508 10 30 AFEERN FC(F)(F)[C@H]1CCC[C@@]2(CO2)C1 69387836 343425444 /nfs/dbraw/zinc/42/54/44/343425444.db2.gz APAABXPITXQFRB-BQBZGAKWSA-N 0 0 180.169 2.508 10 30 AFEERN Cc1ccsc1[C@H](C)C#N 69636558 343429616 /nfs/dbraw/zinc/42/96/16/343429616.db2.gz GKHPQRKNTQVZFK-SSDOTTSWSA-N 0 0 151.234 2.684 10 30 AFEERN Cc1ccsc1[C@@H](C)C#N 69636555 343430078 /nfs/dbraw/zinc/43/00/78/343430078.db2.gz GKHPQRKNTQVZFK-ZETCQYMHSA-N 0 0 151.234 2.684 10 30 AFEERN C#CC(C)(C)Nc1ccc(Cl)cn1 69682074 343433320 /nfs/dbraw/zinc/43/33/20/343433320.db2.gz VUBBRBJZPFOAMT-UHFFFAOYSA-N 0 0 194.665 2.559 10 30 AFEERN C#CC(C)(C)Nc1nc(CC)cs1 69682100 343433822 /nfs/dbraw/zinc/43/38/22/343433822.db2.gz JHTWKXCENCJXAT-UHFFFAOYSA-N 0 0 194.303 2.529 10 30 AFEERN C#CC(C)(C)Nc1ncccc1Cl 69682371 343433853 /nfs/dbraw/zinc/43/38/53/343433853.db2.gz HXTCXTPSTCGQJX-UHFFFAOYSA-N 0 0 194.665 2.559 10 30 AFEERN CC(C)[C@H](C)C(=O)C1=CCCC1 69685663 343434194 /nfs/dbraw/zinc/43/41/94/343434194.db2.gz KVCUMOUIYZRBKF-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)[C@@H](C)C(=O)C1=CCCC1 69685659 343434258 /nfs/dbraw/zinc/43/42/58/343434258.db2.gz KVCUMOUIYZRBKF-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccsc1[C@H]1CC(=O)C=CO1 69850414 343447914 /nfs/dbraw/zinc/44/79/14/343447914.db2.gz XRJZMAJWMPTQDI-SECBINFHSA-N 0 0 194.255 2.601 10 30 AFEERN Cc1cccc([C@@H]2CC(=O)C=CO2)c1 69850324 343447921 /nfs/dbraw/zinc/44/79/21/343447921.db2.gz WXLAYSQZJCFZHH-LBPRGKRZSA-N 0 0 188.226 2.539 10 30 AFEERN C[C@@H](C#N)C(=O)c1coc2ccccc12 69910520 343455710 /nfs/dbraw/zinc/45/57/10/343455710.db2.gz FEXRGUUPJJJSBS-QMMMGPOBSA-N 0 0 199.209 2.775 10 30 AFEERN C[C@H](C#N)C(=O)c1coc2ccccc12 69910521 343455732 /nfs/dbraw/zinc/45/57/32/343455732.db2.gz FEXRGUUPJJJSBS-MRVPVSSYSA-N 0 0 199.209 2.775 10 30 AFEERN N#CCC(=O)c1coc2ccccc12 69910519 343455961 /nfs/dbraw/zinc/45/59/61/343455961.db2.gz BSHVNKUMLZKBMG-UHFFFAOYSA-N 0 0 185.182 2.529 10 30 AFEERN CC[C@@H](C#N)N1CCCCC[C@@H]1C 69944839 343459447 /nfs/dbraw/zinc/45/94/47/343459447.db2.gz RVOGPASXMDDGFS-QWRGUYRKSA-N 0 0 180.295 2.553 10 30 AFEERN CC[C@H](C#N)N1CCCCC[C@@H]1C 69944840 343459632 /nfs/dbraw/zinc/45/96/32/343459632.db2.gz RVOGPASXMDDGFS-WDEREUQCSA-N 0 0 180.295 2.553 10 30 AFEERN SCc1ccc2c(c1)CCC2 70063440 343472777 /nfs/dbraw/zinc/47/27/77/343472777.db2.gz USBNCGCHJNRRSF-UHFFFAOYSA-N 0 0 164.273 2.605 10 30 AFEERN C#CCCNc1ccc(CC)cc1 70159535 343475482 /nfs/dbraw/zinc/47/54/82/343475482.db2.gz GZBOMSIQTBHHGH-UHFFFAOYSA-N 0 0 173.259 2.684 10 30 AFEERN C#CCCNc1ccc(SC)cc1 70159618 343475505 /nfs/dbraw/zinc/47/55/05/343475505.db2.gz BDXMMDOQDAYNKJ-UHFFFAOYSA-N 0 0 191.299 2.844 10 30 AFEERN C#CCCNc1ccc(C)cc1C 70159569 343475509 /nfs/dbraw/zinc/47/55/09/343475509.db2.gz HVRNMHPAVIMKLK-UHFFFAOYSA-N 0 0 173.259 2.739 10 30 AFEERN C#CCCNc1cccc(SC)c1 70159483 343475561 /nfs/dbraw/zinc/47/55/61/343475561.db2.gz FGMYZOPYWBEMIQ-UHFFFAOYSA-N 0 0 191.299 2.844 10 30 AFEERN C#CCCNc1ccc(C)c(C)c1 70159476 343475620 /nfs/dbraw/zinc/47/56/20/343475620.db2.gz AWAAMKFKBMCUSS-UHFFFAOYSA-N 0 0 173.259 2.739 10 30 AFEERN C#CCCNc1cc(C)ccc1F 70159633 343475659 /nfs/dbraw/zinc/47/56/59/343475659.db2.gz WZXGIMRMLUKPQB-UHFFFAOYSA-N 0 0 177.222 2.569 10 30 AFEERN C#CCCNc1ccc(C)cc1F 70159625 343475731 /nfs/dbraw/zinc/47/57/31/343475731.db2.gz AVWPFZFNYWGVFC-UHFFFAOYSA-N 0 0 177.222 2.569 10 30 AFEERN C=C(C)COc1ccccc1F 70233606 343484630 /nfs/dbraw/zinc/48/46/30/343484630.db2.gz CSOSQXUZONVCET-UHFFFAOYSA-N 0 0 166.195 2.781 10 30 AFEERN CC[C@@H]1CCC[C@H](C#N)C1 70562449 343491747 /nfs/dbraw/zinc/49/17/47/343491747.db2.gz ITBZIKGCEDYYOO-BDAKNGLRSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@@H]1CCC[C@@H](C#N)C1 70562451 343491670 /nfs/dbraw/zinc/49/16/70/343491670.db2.gz ITBZIKGCEDYYOO-RKDXNWHRSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@@H]1CCC[C@@](C#N)(NC2CC2)C1 70563195 343491728 /nfs/dbraw/zinc/49/17/28/343491728.db2.gz SSWSVRUNBDJRCE-ZYHUDNBSSA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@H]1CCC[C@H](C#N)C1 70562450 343491731 /nfs/dbraw/zinc/49/17/31/343491731.db2.gz ITBZIKGCEDYYOO-IUCAKERBSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@H]1CCC[C@@](C#N)(NC2CC2)C1 70563196 343491740 /nfs/dbraw/zinc/49/17/40/343491740.db2.gz SSWSVRUNBDJRCE-CMPLNLGQSA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@@H]1CCC[C@](C#N)(NC2CC2)C1 70563197 343491756 /nfs/dbraw/zinc/49/17/56/343491756.db2.gz SSWSVRUNBDJRCE-PWSUYJOCSA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@H]1CCC[C@](C#N)(NC2CC2)C1 70563198 343491803 /nfs/dbraw/zinc/49/18/03/343491803.db2.gz SSWSVRUNBDJRCE-JQWIXIFHSA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@H]1CCC[C@@H](C#N)C1 70562452 343491899 /nfs/dbraw/zinc/49/18/99/343491899.db2.gz ITBZIKGCEDYYOO-DTWKUNHWSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@H]1CCC[C@]2(CC(=O)C=CO2)C1 70563881 343492326 /nfs/dbraw/zinc/49/23/26/343492326.db2.gz GJIVMTGVVLIXGH-CMPLNLGQSA-N 0 0 194.274 2.829 10 30 AFEERN CC[C@@H]1CCC[C@H](O[C@@H](C)C#N)C1 70564470 343492347 /nfs/dbraw/zinc/49/23/47/343492347.db2.gz AGUOOQFTCSBQGX-AXFHLTTASA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@H]1CCC[C@@]2(CC(=O)C=CO2)C1 70563883 343492354 /nfs/dbraw/zinc/49/23/54/343492354.db2.gz GJIVMTGVVLIXGH-JQWIXIFHSA-N 0 0 194.274 2.829 10 30 AFEERN CC[C@@H]1CCC[C@H](N(C)[C@@H](C)C#N)C1 70565106 343492762 /nfs/dbraw/zinc/49/27/62/343492762.db2.gz GKQNKBZHSYHTPE-TUAOUCFPSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@@H]1CCC[C@@H](N(C)[C@@H](C)C#N)C1 70565108 343492969 /nfs/dbraw/zinc/49/29/69/343492969.db2.gz GKQNKBZHSYHTPE-QJPTWQEYSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H]1CCC[C@@H](CC=O)C1 70567373 343493268 /nfs/dbraw/zinc/49/32/68/343493268.db2.gz WVOJINYIVAIHDX-UWVGGRQHSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@@H]1CCC[C@@H](CC=O)C1 70567372 343493285 /nfs/dbraw/zinc/49/32/85/343493285.db2.gz WVOJINYIVAIHDX-ZJUUUORDSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@@H]1CCC[C@H](CC=O)C1 70567370 343493311 /nfs/dbraw/zinc/49/33/11/343493311.db2.gz WVOJINYIVAIHDX-NXEZZACHSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@H]1CCC[C@H](CC=O)C1 70567371 343493449 /nfs/dbraw/zinc/49/34/49/343493449.db2.gz WVOJINYIVAIHDX-VHSXEESVSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@@H]1CCCC[C@]1(C#N)NC(C)C 70568450 343493701 /nfs/dbraw/zinc/49/37/01/343493701.db2.gz NCLGHOFZKWPNHH-VXGBXAGGSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@@H]1CCCC[C@@]1(C#N)NC(C)C 70568448 343493733 /nfs/dbraw/zinc/49/37/33/343493733.db2.gz NCLGHOFZKWPNHH-NEPJUHHUSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H]1CCCC[C@]1(C#N)NC(C)C 70568451 343493814 /nfs/dbraw/zinc/49/38/14/343493814.db2.gz NCLGHOFZKWPNHH-NWDGAFQWSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H]1CCCC[C@@]1(C#N)NC(C)C 70568449 343493896 /nfs/dbraw/zinc/49/38/96/343493896.db2.gz NCLGHOFZKWPNHH-RYUDHWBXSA-N 0 0 194.322 2.847 10 30 AFEERN C#CCC[C@@]1(O)CCCC[C@@H]1CC 70568737 343494020 /nfs/dbraw/zinc/49/40/20/343494020.db2.gz SBRTYVZEBYRJGL-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCC[C@]1(O)CCCC[C@@H]1CC 70568739 343494122 /nfs/dbraw/zinc/49/41/22/343494122.db2.gz SBRTYVZEBYRJGL-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN CC[C@@H]1CCCC[C@]12CC(=O)C=CO2 70569064 343494144 /nfs/dbraw/zinc/49/41/44/343494144.db2.gz BKFKQZGBGYYWMN-PWSUYJOCSA-N 0 0 194.274 2.829 10 30 AFEERN CC[C@H]1CCCC[C@@]12CC(=O)C=CO2 70569063 343494165 /nfs/dbraw/zinc/49/41/65/343494165.db2.gz BKFKQZGBGYYWMN-CMPLNLGQSA-N 0 0 194.274 2.829 10 30 AFEERN CC[C@@H]1CCCC[C@@]12CC(=O)C=CO2 70569062 343494226 /nfs/dbraw/zinc/49/42/26/343494226.db2.gz BKFKQZGBGYYWMN-ZYHUDNBSSA-N 0 0 194.274 2.829 10 30 AFEERN CC[C@H]1CCCC[C@]12CC(=O)C=CO2 70569065 343494268 /nfs/dbraw/zinc/49/42/68/343494268.db2.gz BKFKQZGBGYYWMN-JQWIXIFHSA-N 0 0 194.274 2.829 10 30 AFEERN C#CCC[C@]1(O)CCCC[C@H]1CC 70568738 343494279 /nfs/dbraw/zinc/49/42/79/343494279.db2.gz SBRTYVZEBYRJGL-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCC[C@@]1(O)CCCC[C@H]1CC 70568736 343494282 /nfs/dbraw/zinc/49/42/82/343494282.db2.gz SBRTYVZEBYRJGL-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN CC(C)(C)c1ccccc1NCC#N 70569840 343494390 /nfs/dbraw/zinc/49/43/90/343494390.db2.gz ZXXHPWALGBWWJS-UHFFFAOYSA-N 0 0 188.274 2.920 10 30 AFEERN CC(=O)/C=C/c1cc(C)sc1C 70586459 343496980 /nfs/dbraw/zinc/49/69/80/343496980.db2.gz UQJPALFAVDRMNB-SNAWJCMRSA-N 0 0 180.272 2.967 10 30 AFEERN CC(=O)/C=C/c1ccc(F)cc1C 70586492 343497046 /nfs/dbraw/zinc/49/70/46/343497046.db2.gz UPJYQTQEFDJONX-ONEGZZNKSA-N 0 0 178.206 2.736 10 30 AFEERN CC(=O)/C=C/c1ccc(C)c(F)c1 70586468 343497058 /nfs/dbraw/zinc/49/70/58/343497058.db2.gz UJPCKAOENKSHIU-GQCTYLIASA-N 0 0 178.206 2.736 10 30 AFEERN CC(=O)/C=C/c1cccc(F)c1F 70586494 343497095 /nfs/dbraw/zinc/49/70/95/343497095.db2.gz MKEUOCRXHSAZHE-AATRIKPKSA-N 0 0 182.169 2.567 10 30 AFEERN CC(=O)/C=C/c1ccc(Cl)o1 70586505 343497180 /nfs/dbraw/zinc/49/71/80/343497180.db2.gz CSZQBJURAOKDPM-NSCUHMNNSA-N 0 0 170.595 2.535 10 30 AFEERN CC(=O)/C=C/c1ccc(F)c(C)c1 70586456 343497255 /nfs/dbraw/zinc/49/72/55/343497255.db2.gz NTFPLLMPEQZHMP-ONEGZZNKSA-N 0 0 178.206 2.736 10 30 AFEERN CC(=O)/C=C/c1c(F)cccc1F 70586496 343497375 /nfs/dbraw/zinc/49/73/75/343497375.db2.gz BLVPHVLDBNYNNO-AATRIKPKSA-N 0 0 182.169 2.567 10 30 AFEERN CC(C)(C)[C@H]1CCCN(CC#N)CC1 70587738 343497880 /nfs/dbraw/zinc/49/78/80/343497880.db2.gz CKGFWVVMGGDCHC-NSHDSACASA-N 0 0 194.322 2.658 10 30 AFEERN CC(C)(C)[C@@H]1CCCN(CC#N)CC1 70587737 343497928 /nfs/dbraw/zinc/49/79/28/343497928.db2.gz CKGFWVVMGGDCHC-LLVKDONJSA-N 0 0 194.322 2.658 10 30 AFEERN C#Cc1cccc(NCCC=C)c1 70591200 343498485 /nfs/dbraw/zinc/49/84/85/343498485.db2.gz FDKGIYNKOXOCSB-UHFFFAOYSA-N 0 0 171.243 2.656 10 30 AFEERN CC#CCSc1cc(N)cc(F)c1 70588951 343498668 /nfs/dbraw/zinc/49/86/68/343498668.db2.gz RBFUCBNKBWDILP-UHFFFAOYSA-N 0 0 195.262 2.523 10 30 AFEERN C=CCCNc1ccc(F)cc1F 70591411 343499158 /nfs/dbraw/zinc/49/91/58/343499158.db2.gz HOFXBKFMURKAQY-UHFFFAOYSA-N 0 0 183.201 2.953 10 30 AFEERN C=CCCNc1ccccc1C#N 70591377 343499202 /nfs/dbraw/zinc/49/92/02/343499202.db2.gz BCEADUZMZDVNHC-UHFFFAOYSA-N 0 0 172.231 2.546 10 30 AFEERN C=CCCCOc1ccc(O)cc1 70592904 343499423 /nfs/dbraw/zinc/49/94/23/343499423.db2.gz VMZSHRFMFQARBW-UHFFFAOYSA-N 0 0 178.231 2.737 10 30 AFEERN C=CCCC(=O)c1ccc(F)cc1 70593423 343499427 /nfs/dbraw/zinc/49/94/27/343499427.db2.gz IAUOTWNIAKGHEF-UHFFFAOYSA-N 0 0 178.206 2.975 10 30 AFEERN C=CCCN(C)c1ccc(C#N)cc1 70592555 343499459 /nfs/dbraw/zinc/49/94/59/343499459.db2.gz DFYXNIOMYXFOST-UHFFFAOYSA-N 0 0 186.258 2.571 10 30 AFEERN C=CCCC(=O)c1cccs1 70593427 343499490 /nfs/dbraw/zinc/49/94/90/343499490.db2.gz UMQJUMQJBPQOLL-UHFFFAOYSA-N 0 0 166.245 2.897 10 30 AFEERN C=CCC[C@H](O)c1ccc(C)cc1 70593652 343499493 /nfs/dbraw/zinc/49/94/93/343499493.db2.gz YEPHMNQDHBUULF-LBPRGKRZSA-N 0 0 176.259 2.995 10 30 AFEERN C=CCCCOc1ccccc1C#N 70592571 343499512 /nfs/dbraw/zinc/49/95/12/343499512.db2.gz ASVDMRFWLXAOFL-UHFFFAOYSA-N 0 0 187.242 2.903 10 30 AFEERN C=CCC[C@@H](O)c1ccc(C)cc1 70593651 343499534 /nfs/dbraw/zinc/49/95/34/343499534.db2.gz YEPHMNQDHBUULF-GFCCVEGCSA-N 0 0 176.259 2.995 10 30 AFEERN C=CCCCOc1ccc(C#N)cc1 70592568 343499568 /nfs/dbraw/zinc/49/95/68/343499568.db2.gz AHKNEOKEUBDIKH-UHFFFAOYSA-N 0 0 187.242 2.903 10 30 AFEERN C=CCC[C@@H](O)c1ccccc1F 70593932 343499663 /nfs/dbraw/zinc/49/96/63/343499663.db2.gz XCFRCLCOGSBNMO-LLVKDONJSA-N 0 0 180.222 2.825 10 30 AFEERN C=CCCC(=O)c1ccccc1F 70593576 343499672 /nfs/dbraw/zinc/49/96/72/343499672.db2.gz PZSDQSFUJAZWKW-UHFFFAOYSA-N 0 0 178.206 2.975 10 30 AFEERN C=CCC[C@H](O)c1cccc(F)c1 70593635 343499676 /nfs/dbraw/zinc/49/96/76/343499676.db2.gz HSRKWRGLIHIUTB-NSHDSACASA-N 0 0 180.222 2.825 10 30 AFEERN C=CCC[C@H](O)c1ccccc1C 70593720 343499681 /nfs/dbraw/zinc/49/96/81/343499681.db2.gz JKHFGPIIELVJAH-LBPRGKRZSA-N 0 0 176.259 2.995 10 30 AFEERN C=CCC[C@@H](O)c1cccc(OC)c1 70593619 343499692 /nfs/dbraw/zinc/49/96/92/343499692.db2.gz UKPKUWLRGOPVET-GFCCVEGCSA-N 0 0 192.258 2.695 10 30 AFEERN C=CCCCOc1cccc(C#N)c1 70592569 343499756 /nfs/dbraw/zinc/49/97/56/343499756.db2.gz DTZKWJGFSFNHBL-UHFFFAOYSA-N 0 0 187.242 2.903 10 30 AFEERN C=CCC[C@H](O)c1cccc(C)c1 70593724 343499759 /nfs/dbraw/zinc/49/97/59/343499759.db2.gz KVMOFQZNJJPJHV-LBPRGKRZSA-N 0 0 176.259 2.995 10 30 AFEERN C=CCC[C@@H](O)c1cccc(C)c1 70593723 343499769 /nfs/dbraw/zinc/49/97/69/343499769.db2.gz KVMOFQZNJJPJHV-GFCCVEGCSA-N 0 0 176.259 2.995 10 30 AFEERN C=CCC[C@H](O)c1cccc(OC)c1 70593620 343499772 /nfs/dbraw/zinc/49/97/72/343499772.db2.gz UKPKUWLRGOPVET-LBPRGKRZSA-N 0 0 192.258 2.695 10 30 AFEERN C=CCC[C@H](O)c1ccccc1F 70593931 343499780 /nfs/dbraw/zinc/49/97/80/343499780.db2.gz XCFRCLCOGSBNMO-NSHDSACASA-N 0 0 180.222 2.825 10 30 AFEERN C=CCCC(=O)c1ccccc1OC 70593414 343499784 /nfs/dbraw/zinc/49/97/84/343499784.db2.gz WWFDRAAXNPAISU-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=CCCC(=O)c1cccc(OC)c1 70593418 343499787 /nfs/dbraw/zinc/49/97/87/343499787.db2.gz RTMUTPLAEKUPML-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=CCC[C@@H](O)c1cccc(F)c1 70593636 343499794 /nfs/dbraw/zinc/49/97/94/343499794.db2.gz HSRKWRGLIHIUTB-LLVKDONJSA-N 0 0 180.222 2.825 10 30 AFEERN Cc1cc(N)ccc1SCCC#N 70601875 343501415 /nfs/dbraw/zinc/50/14/15/343501415.db2.gz QIQVCDDKOYZCAI-UHFFFAOYSA-N 0 0 192.287 2.583 10 30 AFEERN Cc1ccc(SCCC#N)c(N)c1 70601874 343501499 /nfs/dbraw/zinc/50/14/99/343501499.db2.gz BHIWGTRNXRMKKV-UHFFFAOYSA-N 0 0 192.287 2.583 10 30 AFEERN CC[C@@H](C#N)N1CCC[C@@H](CC)CC1 70613469 343502837 /nfs/dbraw/zinc/50/28/37/343502837.db2.gz AARQGLQRXUQUQG-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@H]1CCCN([C@@H](C)C#N)CC1 70613480 343502866 /nfs/dbraw/zinc/50/28/66/343502866.db2.gz DSJVJOMXYBZWCA-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@H]1CCCN([C@H](C#N)CC)CC1 70613470 343502873 /nfs/dbraw/zinc/50/28/73/343502873.db2.gz AARQGLQRXUQUQG-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@@H]1CCCN([C@@H](C)C#N)CC1 70613479 343503126 /nfs/dbraw/zinc/50/31/26/343503126.db2.gz DSJVJOMXYBZWCA-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN C=CCSc1cc(N)cc(F)c1 70621997 343505112 /nfs/dbraw/zinc/50/51/12/343505112.db2.gz UNRBYPAGEIHKGE-UHFFFAOYSA-N 0 0 183.251 2.686 10 30 AFEERN CC[C@@H](C#N)NC1CCC(C)(C)CC1 70623413 343506084 /nfs/dbraw/zinc/50/60/84/343506084.db2.gz RTKJKABENWHFGX-JTQLQIEISA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)NC1(C#N)CCC(C)(C)CC1 70623224 343506168 /nfs/dbraw/zinc/50/61/68/343506168.db2.gz DAXRBKZKGRFWTK-UHFFFAOYSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C#N)NC1CCC(C)(C)CC1 70623414 343506348 /nfs/dbraw/zinc/50/63/48/343506348.db2.gz RTKJKABENWHFGX-SNVBAGLBSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)N[C@]1(C#N)CCCC(C)(C)C1 70629102 343508661 /nfs/dbraw/zinc/50/86/61/343508661.db2.gz HJOLIXNRPCIYAU-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN CC1(C)CCC[C@](C#N)(NC2CC2)C1 70629105 343508725 /nfs/dbraw/zinc/50/87/25/343508725.db2.gz NNEPMKGYUSDCRN-LBPRGKRZSA-N 0 0 192.306 2.601 10 30 AFEERN CC(C)N[C@@]1(C#N)CCCC(C)(C)C1 70629103 343508789 /nfs/dbraw/zinc/50/87/89/343508789.db2.gz HJOLIXNRPCIYAU-LBPRGKRZSA-N 0 0 194.322 2.847 10 30 AFEERN CCCN[C@@]1(C#N)CCCC(C)(C)C1 70629101 343508804 /nfs/dbraw/zinc/50/88/04/343508804.db2.gz LJZSZPHTMNTATF-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN CCO/C=C1/CC(C)(C)CCC1=O 70654404 343520412 /nfs/dbraw/zinc/52/04/12/343520412.db2.gz HXOQNZPZEIXDAN-HJWRWDBZSA-N 0 0 182.263 2.686 10 30 AFEERN N#C[C@H]1CCCN1CC1CCCCC1 70662409 343521935 /nfs/dbraw/zinc/52/19/35/343521935.db2.gz WUZWQFMRJYLWEX-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN N#C[C@@H]1CCCN1CC1CCCCC1 70662410 343522051 /nfs/dbraw/zinc/52/20/51/343522051.db2.gz WUZWQFMRJYLWEX-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN Cc1ccc([C@H]2OCC[C@@H]2C#N)s1 70672530 343523380 /nfs/dbraw/zinc/52/33/80/343523380.db2.gz VHNMASPYGPWAIJ-SCZZXKLOSA-N 0 0 193.271 2.658 10 30 AFEERN Cc1ccsc1[C@H]1OCC[C@H]1C#N 70672300 343523325 /nfs/dbraw/zinc/52/33/25/343523325.db2.gz BIRVPSUQDHXKQQ-IUCAKERBSA-N 0 0 193.271 2.658 10 30 AFEERN Cc1ccc([C@H]2OCC[C@H]2C#N)cc1 70672345 343523329 /nfs/dbraw/zinc/52/33/29/343523329.db2.gz FVCKRICSVVBWBS-NWDGAFQWSA-N 0 0 187.242 2.596 10 30 AFEERN Cc1ccc([C@@H]2OCC[C@H]2C#N)s1 70672528 343523352 /nfs/dbraw/zinc/52/33/52/343523352.db2.gz VHNMASPYGPWAIJ-WCBMZHEXSA-N 0 0 193.271 2.658 10 30 AFEERN N#C[C@H]1CCCO[C@H]1c1ccsc1 70672761 343523362 /nfs/dbraw/zinc/52/33/62/343523362.db2.gz YAJVPIYSAFDLMM-PSASIEDQSA-N 0 0 193.271 2.739 10 30 AFEERN Cc1ccccc1[C@@H]1OCC[C@@H]1C#N 70672064 343523372 /nfs/dbraw/zinc/52/33/72/343523372.db2.gz LIRSUKLMAQYXSD-ZYHUDNBSSA-N 0 0 187.242 2.596 10 30 AFEERN Cc1ccsc1[C@@H]1OCC[C@@H]1C#N 70672308 343523383 /nfs/dbraw/zinc/52/33/83/343523383.db2.gz BIRVPSUQDHXKQQ-RKDXNWHRSA-N 0 0 193.271 2.658 10 30 AFEERN Cc1ccc([C@@H]2OCC[C@@H]2C#N)s1 70672535 343523391 /nfs/dbraw/zinc/52/33/91/343523391.db2.gz VHNMASPYGPWAIJ-PSASIEDQSA-N 0 0 193.271 2.658 10 30 AFEERN Cc1ccc([C@H]2OCC[C@H]2C#N)s1 70672526 343523400 /nfs/dbraw/zinc/52/34/00/343523400.db2.gz VHNMASPYGPWAIJ-WPRPVWTQSA-N 0 0 193.271 2.658 10 30 AFEERN Cc1ccc([C@H]2OCC[C@@H]2C#N)cc1 70672348 343523402 /nfs/dbraw/zinc/52/34/02/343523402.db2.gz FVCKRICSVVBWBS-VXGBXAGGSA-N 0 0 187.242 2.596 10 30 AFEERN N#C[C@H]1CCCO[C@@H]1c1ccsc1 70672757 343523419 /nfs/dbraw/zinc/52/34/19/343523419.db2.gz YAJVPIYSAFDLMM-SCZZXKLOSA-N 0 0 193.271 2.739 10 30 AFEERN Cc1ccsc1[C@H]1OCC[C@@H]1C#N 70672305 343523439 /nfs/dbraw/zinc/52/34/39/343523439.db2.gz BIRVPSUQDHXKQQ-BDAKNGLRSA-N 0 0 193.271 2.658 10 30 AFEERN Cc1ccc([C@@H]2OCC[C@@H]2C#N)cc1 70672349 343523525 /nfs/dbraw/zinc/52/35/25/343523525.db2.gz FVCKRICSVVBWBS-NEPJUHHUSA-N 0 0 187.242 2.596 10 30 AFEERN Cc1ccsc1[C@@H]1OCC[C@H]1C#N 70672302 343523541 /nfs/dbraw/zinc/52/35/41/343523541.db2.gz BIRVPSUQDHXKQQ-DTWKUNHWSA-N 0 0 193.271 2.658 10 30 AFEERN N#C[C@@H]1CCCO[C@H]1c1ccsc1 70672755 343523546 /nfs/dbraw/zinc/52/35/46/343523546.db2.gz YAJVPIYSAFDLMM-WCBMZHEXSA-N 0 0 193.271 2.739 10 30 AFEERN N#C[C@@H]1CCCO[C@@H]1c1ccsc1 70672754 343523567 /nfs/dbraw/zinc/52/35/67/343523567.db2.gz YAJVPIYSAFDLMM-WPRPVWTQSA-N 0 0 193.271 2.739 10 30 AFEERN C#CCC[C@]1(O)CCCC(C)(C)C1 70684127 343524223 /nfs/dbraw/zinc/52/42/23/343524223.db2.gz XYJZXDZUMOYVQD-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCC[C@@]1(O)CCCC(C)(C)C1 70684123 343524489 /nfs/dbraw/zinc/52/44/89/343524489.db2.gz XYJZXDZUMOYVQD-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN CC1(C)CCC[C@@]2(CC(=O)C=CO2)C1 70684735 343524606 /nfs/dbraw/zinc/52/46/06/343524606.db2.gz XLMWFYKFPGVVQO-GFCCVEGCSA-N 0 0 194.274 2.829 10 30 AFEERN CC1(C)CCC[C@]2(CC(=O)C=CO2)C1 70684732 343524614 /nfs/dbraw/zinc/52/46/14/343524614.db2.gz XLMWFYKFPGVVQO-LBPRGKRZSA-N 0 0 194.274 2.829 10 30 AFEERN C=CCC[C@@H]1CCCC(=O)C1 70737493 343527228 /nfs/dbraw/zinc/52/72/28/343527228.db2.gz RPHSBKFTOZOTRQ-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC[C@H]1CCCC(=O)C1 70737495 343527338 /nfs/dbraw/zinc/52/73/38/343527338.db2.gz RPHSBKFTOZOTRQ-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H]1CCC[C@@H](CCC=O)C1 70738976 343527554 /nfs/dbraw/zinc/52/75/54/343527554.db2.gz VKHXHRZSJCTHEO-UWVGGRQHSA-N 0 0 154.253 2.792 10 30 AFEERN C[C@@H]1CCC[C@H](CCC=O)C1 70738970 343527609 /nfs/dbraw/zinc/52/76/09/343527609.db2.gz VKHXHRZSJCTHEO-NXEZZACHSA-N 0 0 154.253 2.792 10 30 AFEERN C[C@@H]1CCC[C@@H](CCC=O)C1 70738975 343527778 /nfs/dbraw/zinc/52/77/78/343527778.db2.gz VKHXHRZSJCTHEO-ZJUUUORDSA-N 0 0 154.253 2.792 10 30 AFEERN C[C@H]1CCC[C@H](CCC=O)C1 70738973 343527830 /nfs/dbraw/zinc/52/78/30/343527830.db2.gz VKHXHRZSJCTHEO-VHSXEESVSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@H]1CC[C@@](C#N)(N2CCCC2)C1 70766232 343529810 /nfs/dbraw/zinc/52/98/10/343529810.db2.gz IHFQAMUSABUSFR-NWDGAFQWSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@@H]1CC[C@](C#N)(N2CCCC2)C1 70766235 343529944 /nfs/dbraw/zinc/52/99/44/343529944.db2.gz IHFQAMUSABUSFR-NEPJUHHUSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@H]1CC[C@](C#N)(N2CCCC2)C1 70766238 343529952 /nfs/dbraw/zinc/52/99/52/343529952.db2.gz IHFQAMUSABUSFR-RYUDHWBXSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)(N2CCCC2)C1 70766229 343529982 /nfs/dbraw/zinc/52/99/82/343529982.db2.gz IHFQAMUSABUSFR-VXGBXAGGSA-N 0 0 192.306 2.555 10 30 AFEERN C=CCC[C@H]1CCCC[C@H](O)C1 70776877 343531642 /nfs/dbraw/zinc/53/16/42/343531642.db2.gz DQJKWWUOJRZPEM-QWRGUYRKSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC[C@H]1CCCC[C@@H](O)C1 70776885 343531620 /nfs/dbraw/zinc/53/16/20/343531620.db2.gz DQJKWWUOJRZPEM-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC[C@@H]1CCCC[C@@H](O)C1 70776882 343531692 /nfs/dbraw/zinc/53/16/92/343531692.db2.gz DQJKWWUOJRZPEM-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC[C@H]1CCC[C@H](O)C1 70774756 343531696 /nfs/dbraw/zinc/53/16/96/343531696.db2.gz WICZAZFCWYTYIK-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC[C@@H]1CCCC[C@H](O)C1 70776875 343531698 /nfs/dbraw/zinc/53/16/98/343531698.db2.gz DQJKWWUOJRZPEM-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN C=CC[C@@H]1CCCC[C@@H](O)C1 70776100 343531815 /nfs/dbraw/zinc/53/18/15/343531815.db2.gz YPSYVCPQVJCSAT-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN CC[C@@H](C#N)Oc1cc(F)ccc1F 70819974 343533269 /nfs/dbraw/zinc/53/32/69/343533269.db2.gz NRUXGOKXLYISSY-QMMMGPOBSA-N 0 0 197.184 2.646 10 30 AFEERN CC[C@H](C#N)Oc1cc(F)ccc1F 70819976 343533353 /nfs/dbraw/zinc/53/33/53/343533353.db2.gz NRUXGOKXLYISSY-MRVPVSSYSA-N 0 0 197.184 2.646 10 30 AFEERN CC1=C[C@@H](C(C)(C)C=O)CC1 75539690 343577483 /nfs/dbraw/zinc/57/74/83/343577483.db2.gz SVDLNNVLBMXPTF-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN O=C(CCC#Cc1ccccc1)C1CC1 71002851 343547794 /nfs/dbraw/zinc/54/77/94/343547794.db2.gz ZSNTWYWFAYQXTQ-UHFFFAOYSA-N 0 0 198.265 2.797 10 30 AFEERN Cc1cc(O)c(C(C)C)cc1C#N 71455978 343552782 /nfs/dbraw/zinc/55/27/82/343552782.db2.gz SXCADHDLBXEZOX-UHFFFAOYSA-N 0 0 175.231 2.696 10 30 AFEERN Cc1ccc(CCCCC=O)cc1 71425435 343552936 /nfs/dbraw/zinc/55/29/36/343552936.db2.gz RDPZNVZYPBIZFR-UHFFFAOYSA-N 0 0 176.259 2.907 10 30 AFEERN Cc1cc(C)c([C@@H]2CO2)cc1C 71495689 343554511 /nfs/dbraw/zinc/55/45/11/343554511.db2.gz ZKCKVHGFBLQIMN-NSHDSACASA-N 0 0 162.232 2.683 10 30 AFEERN Cc1cc(C)c([C@H]2CO2)cc1C 71495690 343554700 /nfs/dbraw/zinc/55/47/00/343554700.db2.gz ZKCKVHGFBLQIMN-LLVKDONJSA-N 0 0 162.232 2.683 10 30 AFEERN CC(C)c1ccc([C@H](N)CC#N)cc1 71500281 343555062 /nfs/dbraw/zinc/55/50/62/343555062.db2.gz SMZAUXVXSQAYGJ-GFCCVEGCSA-N 0 0 188.274 2.723 10 30 AFEERN CC(C)c1ccc([C@@H](N)CC#N)cc1 71500283 343555167 /nfs/dbraw/zinc/55/51/67/343555167.db2.gz SMZAUXVXSQAYGJ-LBPRGKRZSA-N 0 0 188.274 2.723 10 30 AFEERN CCN(CC)c1ccc(F)cc1C#N 71506085 343555613 /nfs/dbraw/zinc/55/56/13/343555613.db2.gz SXEUNFVTVZMVDZ-UHFFFAOYSA-N 0 0 192.237 2.544 10 30 AFEERN CC(C)(C)Nc1ccc(F)cc1C#N 71506086 343555745 /nfs/dbraw/zinc/55/57/45/343555745.db2.gz IQHZTNRXISBDRD-UHFFFAOYSA-N 0 0 192.237 2.908 10 30 AFEERN CCCc1ccc(C#N)c(Cl)n1 72204493 343561228 /nfs/dbraw/zinc/56/12/28/343561228.db2.gz GECFYNPZPHWNHO-UHFFFAOYSA-N 0 0 180.638 2.559 10 30 AFEERN CC1=C[C@H](C(C)(C)C=O)CC1 75539688 343577310 /nfs/dbraw/zinc/57/73/10/343577310.db2.gz SVDLNNVLBMXPTF-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc([C@H](C)CC=O)cc1 75545414 343577337 /nfs/dbraw/zinc/57/73/37/343577337.db2.gz FHIWJBQSAPYCSB-SNVBAGLBSA-N 0 0 162.232 2.688 10 30 AFEERN C[C@H]1c2ccccc2CC[C@@H]1C#N 75561379 343577819 /nfs/dbraw/zinc/57/78/19/343577819.db2.gz XLZXMUYALHKPDG-MWLCHTKSSA-N 0 0 171.243 2.876 10 30 AFEERN C[C@H]1c2ccccc2CC[C@H]1C#N 75561392 343577947 /nfs/dbraw/zinc/57/79/47/343577947.db2.gz XLZXMUYALHKPDG-KOLCDFICSA-N 0 0 171.243 2.876 10 30 AFEERN Cc1cc(C#N)c2ccccc2c1C#N 75580775 343577949 /nfs/dbraw/zinc/57/79/49/343577949.db2.gz UOCZDJCRNFTUQO-UHFFFAOYSA-N 0 0 192.221 2.892 10 30 AFEERN CC1(C)[C@@H](C#N)[C@@]2(C)CC[C@@H]1C2 75772015 343578024 /nfs/dbraw/zinc/57/80/24/343578024.db2.gz OHWRGMHXQWAJAZ-KKZNHRDASA-N 0 0 163.264 2.972 10 30 AFEERN Cc1ncc(C#N)cc1-c1ccccc1 75596705 343578388 /nfs/dbraw/zinc/57/83/88/343578388.db2.gz NXLHNUIZWXYTIC-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CC(C)c1n[nH]c2ccc(C#N)cc12 76190328 343579542 /nfs/dbraw/zinc/57/95/42/343579542.db2.gz MKGXCTFIQWCCFL-UHFFFAOYSA-N 0 0 185.230 2.558 10 30 AFEERN CCCCCCCSCC=O 78315150 343582357 /nfs/dbraw/zinc/58/23/57/343582357.db2.gz NOVGFDLWSBAEMA-UHFFFAOYSA-N 0 0 174.309 2.889 10 30 AFEERN C#C[C@@]1(C)CCCN1c1ccccc1 78408380 343583181 /nfs/dbraw/zinc/58/31/81/343583181.db2.gz NPJZBCVOWDMJBP-ZDUSSCGKSA-N 0 0 185.270 2.679 10 30 AFEERN CCCCCCCCOCOC 79601854 343590030 /nfs/dbraw/zinc/59/00/30/343590030.db2.gz YVWYUOPDUSDKMG-UHFFFAOYSA-N 0 0 174.284 2.967 10 30 AFEERN C=C(CC)C/C=C/C 80343769 343591538 /nfs/dbraw/zinc/59/15/38/343591538.db2.gz HXLAPKDQPVDUSQ-GQCTYLIASA-N 0 0 110.200 2.919 10 30 AFEERN C1CCC(=NN2CCCCC2)CC1 80775665 343591645 /nfs/dbraw/zinc/59/16/45/343591645.db2.gz MNAWRZTWCAAIEW-UHFFFAOYSA-N 0 0 180.295 2.792 10 30 AFEERN C=C/C=C(/C(C)=O)c1ccccc1 80533546 343591953 /nfs/dbraw/zinc/59/19/53/343591953.db2.gz GUBSJGKOZNQPQJ-GHXNOFRVSA-N 0 0 172.227 2.845 10 30 AFEERN C=C[C@H](C)C#Cc1ccccc1 81954166 343594535 /nfs/dbraw/zinc/59/45/35/343594535.db2.gz OUUFFFBTCQBIIQ-NSHDSACASA-N 0 0 156.228 2.860 10 30 AFEERN O=CCc1cc2ccccc2s1 82014094 343594624 /nfs/dbraw/zinc/59/46/24/343594624.db2.gz RZTQKESTDPQKHS-UHFFFAOYSA-N 0 0 176.240 2.643 10 30 AFEERN C=C[C@@H](C)C#Cc1ccccc1 81954167 343594651 /nfs/dbraw/zinc/59/46/51/343594651.db2.gz OUUFFFBTCQBIIQ-LLVKDONJSA-N 0 0 156.228 2.860 10 30 AFEERN C[C@@H]1C[C@@H]1Nc1cccc(F)c1C#N 82403780 343601704 /nfs/dbraw/zinc/60/17/04/343601704.db2.gz BARDQXPHECCSMS-HQJQHLMTSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@H]1C[C@@H]1Nc1cccc(F)c1C#N 82403781 343601729 /nfs/dbraw/zinc/60/17/29/343601729.db2.gz BARDQXPHECCSMS-CPCISQLKSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@@H]1C[C@H]1Nc1cccc(F)c1C#N 82403783 343601782 /nfs/dbraw/zinc/60/17/82/343601782.db2.gz BARDQXPHECCSMS-RDDDGLTNSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@H]1C[C@H]1Nc1cccc(F)c1C#N 82403784 343602017 /nfs/dbraw/zinc/60/20/17/343602017.db2.gz BARDQXPHECCSMS-WRWORJQWSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@H]1C[C@@H]1Nc1ccc(F)cc1C#N 82516502 343605115 /nfs/dbraw/zinc/60/51/15/343605115.db2.gz QLSQLNGEUTXNQP-CPCISQLKSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@@H]1C[C@@H]1Nc1ccc(F)cc1C#N 82516501 343605476 /nfs/dbraw/zinc/60/54/76/343605476.db2.gz QLSQLNGEUTXNQP-HQJQHLMTSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@H]1C[C@H]1Nc1ccc(F)cc1C#N 82516504 343605873 /nfs/dbraw/zinc/60/58/73/343605873.db2.gz QLSQLNGEUTXNQP-WRWORJQWSA-N 0 0 190.221 2.518 10 30 AFEERN CCCN(C)c1ccc(F)cc1C#N 82522820 343605876 /nfs/dbraw/zinc/60/58/76/343605876.db2.gz GUGHLVATVYHGLB-UHFFFAOYSA-N 0 0 192.237 2.544 10 30 AFEERN Cc1nc2cc(CC#N)ccc2s1 82588200 343607506 /nfs/dbraw/zinc/60/75/06/343607506.db2.gz YYQUWRYNQFKWFW-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN C=C(C)COc1ccc(C#N)c(F)c1 82644283 343609239 /nfs/dbraw/zinc/60/92/39/343609239.db2.gz AFSWEKWXIIGPOQ-UHFFFAOYSA-N 0 0 191.205 2.652 10 30 AFEERN CC(C)SCc1ccnc(C#N)c1 82668877 343609762 /nfs/dbraw/zinc/60/97/62/343609762.db2.gz JURZIGUVJWIQNI-UHFFFAOYSA-N 0 0 192.287 2.595 10 30 AFEERN CC[C@@H](C)CC[C@@H](C)C=O 82762968 343611888 /nfs/dbraw/zinc/61/18/88/343611888.db2.gz CCCSTKKILBGFFR-RKDXNWHRSA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@H](C)CC[C@@H](C)C=O 82762969 343611939 /nfs/dbraw/zinc/61/19/39/343611939.db2.gz CCCSTKKILBGFFR-DTWKUNHWSA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@H](C)CC[C@H](C)C=O 82762971 343611971 /nfs/dbraw/zinc/61/19/71/343611971.db2.gz CCCSTKKILBGFFR-IUCAKERBSA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@@H](C)CC[C@H](C)C=O 82762970 343612145 /nfs/dbraw/zinc/61/21/45/343612145.db2.gz CCCSTKKILBGFFR-BDAKNGLRSA-N 0 0 142.242 2.648 10 30 AFEERN C=CCCOc1ccc(C#N)c(F)c1 82821903 343612967 /nfs/dbraw/zinc/61/29/67/343612967.db2.gz DVHPDLGRDIQGGI-UHFFFAOYSA-N 0 0 191.205 2.652 10 30 AFEERN CC#CCOc1ccccc1Cl 82865142 343614511 /nfs/dbraw/zinc/61/45/11/343614511.db2.gz BWBARITTXMLQCZ-UHFFFAOYSA-N 0 0 180.634 2.742 10 30 AFEERN C=CCCOc1cccc(C)c1 82865217 343614726 /nfs/dbraw/zinc/61/47/26/343614726.db2.gz IFPNNBLFLQDKAH-UHFFFAOYSA-N 0 0 162.232 2.950 10 30 AFEERN CC#CCOc1cc(C)ccc1F 82940181 343615257 /nfs/dbraw/zinc/61/52/57/343615257.db2.gz DOMNXBAUSVDVBF-UHFFFAOYSA-N 0 0 178.206 2.536 10 30 AFEERN C=CC[C@@H]1CCc2ccccc2N1 83389321 343619335 /nfs/dbraw/zinc/61/93/35/343619335.db2.gz SKVKLIVRXCNENZ-LLVKDONJSA-N 0 0 173.259 2.989 10 30 AFEERN C=CC[C@H]1CCc2ccccc2N1 83389322 343619432 /nfs/dbraw/zinc/61/94/32/343619432.db2.gz SKVKLIVRXCNENZ-NSHDSACASA-N 0 0 173.259 2.989 10 30 AFEERN CC1(C)CC(=O)C=C(C2CC2)C1 83546709 343621502 /nfs/dbraw/zinc/62/15/02/343621502.db2.gz FQTAOBYNUBUJLV-UHFFFAOYSA-N 0 0 164.248 2.712 10 30 AFEERN CCSCCC(C)(C)C#N 83640621 343622358 /nfs/dbraw/zinc/62/23/58/343622358.db2.gz DUBNFSDHWUGPEK-UHFFFAOYSA-N 0 0 157.282 2.679 10 30 AFEERN CSCCCC(C)(C)C#N 83642800 343623322 /nfs/dbraw/zinc/62/33/22/343623322.db2.gz CDCBUZONSFEUEX-UHFFFAOYSA-N 0 0 157.282 2.679 10 30 AFEERN C[C@]1(C#N)CCCc2ccccc21 83775727 343624198 /nfs/dbraw/zinc/62/41/98/343624198.db2.gz NYHVRJJOGMZJKX-GFCCVEGCSA-N 0 0 171.243 2.804 10 30 AFEERN C[C@@]1(C#N)CCCc2ccccc21 83775728 343624231 /nfs/dbraw/zinc/62/42/31/343624231.db2.gz NYHVRJJOGMZJKX-LBPRGKRZSA-N 0 0 171.243 2.804 10 30 AFEERN C=C[C@H](O)c1ccc(C)cc1C 83813541 343624519 /nfs/dbraw/zinc/62/45/19/343624519.db2.gz GFWJVQHEIUSXMV-NSHDSACASA-N 0 0 162.232 2.523 10 30 AFEERN C=C[C@@H](O)c1ccc(C)cc1C 83813539 343624667 /nfs/dbraw/zinc/62/46/67/343624667.db2.gz GFWJVQHEIUSXMV-LLVKDONJSA-N 0 0 162.232 2.523 10 30 AFEERN N#CCN(CCC1CC1)C1CCCC1 83926697 343628603 /nfs/dbraw/zinc/62/86/03/343628603.db2.gz FQYNOOFLBCOTRW-UHFFFAOYSA-N 0 0 192.306 2.555 10 30 AFEERN COc1cccc([C@H](C)CC#N)c1 83963738 343628843 /nfs/dbraw/zinc/62/88/43/343628843.db2.gz IGPPDAQPUBQLCG-SECBINFHSA-N 0 0 175.231 2.712 10 30 AFEERN COc1cccc([C@@H](C)CC#N)c1 83963737 343628846 /nfs/dbraw/zinc/62/88/46/343628846.db2.gz IGPPDAQPUBQLCG-VIFPVBQESA-N 0 0 175.231 2.712 10 30 AFEERN Cc1cc(C)cc([C@H](C)C#N)c1 84329552 343634090 /nfs/dbraw/zinc/63/40/90/343634090.db2.gz SMOOFCKTFSMXGE-SNVBAGLBSA-N 0 0 159.232 2.931 10 30 AFEERN CC[C@@H](C)C[C@H](C=O)CC 84324873 343634181 /nfs/dbraw/zinc/63/41/81/343634181.db2.gz QSRGAHQDGULVLG-RKDXNWHRSA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@H](C)C[C@@H](C=O)CC 84324880 343634218 /nfs/dbraw/zinc/63/42/18/343634218.db2.gz QSRGAHQDGULVLG-IUCAKERBSA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@H](C)C[C@H](C=O)CC 84324875 343634225 /nfs/dbraw/zinc/63/42/25/343634225.db2.gz QSRGAHQDGULVLG-DTWKUNHWSA-N 0 0 142.242 2.648 10 30 AFEERN C[C@H](C#N)c1cccc(Cl)c1 84330721 343634646 /nfs/dbraw/zinc/63/46/46/343634646.db2.gz NEWHNNIYSLMQJW-SSDOTTSWSA-N 0 0 165.623 2.967 10 30 AFEERN N#C[C@@H](Cc1ccccc1)C1CC1 84332052 343634665 /nfs/dbraw/zinc/63/46/65/343634665.db2.gz FYAUEAIKXMDFOE-GFCCVEGCSA-N 0 0 171.243 2.779 10 30 AFEERN N#CC1(C2CCCC2)CCC1 84426548 343636259 /nfs/dbraw/zinc/63/62/59/343636259.db2.gz VFJPSNCNMXIDQR-UHFFFAOYSA-N 0 0 149.237 2.870 10 30 AFEERN C=CCCOc1ccc(F)cc1 84437880 343636911 /nfs/dbraw/zinc/63/69/11/343636911.db2.gz FUWJXDGQFPAHOO-UHFFFAOYSA-N 0 0 166.195 2.781 10 30 AFEERN C=CCCOc1ccccc1F 84437877 343637160 /nfs/dbraw/zinc/63/71/60/343637160.db2.gz CIPGYAJDADSZSF-UHFFFAOYSA-N 0 0 166.195 2.781 10 30 AFEERN C=CCN(CC=C)c1cccc(C#N)c1 84858455 343638047 /nfs/dbraw/zinc/63/80/47/343638047.db2.gz KEFCZJWHZMLWDF-UHFFFAOYSA-N 0 0 198.269 2.737 10 30 AFEERN C=C(CC)CN(CC#N)C1CCCC1 85059129 343639314 /nfs/dbraw/zinc/63/93/14/343639314.db2.gz DNMORNQGKZHGOF-UHFFFAOYSA-N 0 0 192.306 2.721 10 30 AFEERN Cc1ccc([C@@H](O)C(C)(C)C#N)cc1 85886747 343647573 /nfs/dbraw/zinc/64/75/73/343647573.db2.gz UQQVDQQRKUKICA-LLVKDONJSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccc([C@H](O)C(C)(C)C#N)cc1 85886743 343647651 /nfs/dbraw/zinc/64/76/51/343647651.db2.gz UQQVDQQRKUKICA-NSHDSACASA-N 0 0 189.258 2.578 10 30 AFEERN C=C1C=C[C@H]2C[C@@H]1C2(C)C 85774403 343647692 /nfs/dbraw/zinc/64/76/92/343647692.db2.gz YOQFOABVDRBYCG-IUCAKERBSA-N 0 0 134.222 2.775 10 30 AFEERN C=C(C)[C@H](O)C1CCCCC1 86019592 343649114 /nfs/dbraw/zinc/64/91/14/343649114.db2.gz PPSDVAOWFJXKJT-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)CCC[C@@H](O)C(C)C 86064166 343649140 /nfs/dbraw/zinc/64/91/40/343649140.db2.gz DAFDIDSPMBWPSY-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)[C@](O)(CC)c1ccccc1 86018393 343649143 /nfs/dbraw/zinc/64/91/43/343649143.db2.gz GWBLZKQNOGWWQC-GFCCVEGCSA-N 0 0 176.259 2.860 10 30 AFEERN C=C(C)[C@@H](O)C1CCCCC1 86019596 343649175 /nfs/dbraw/zinc/64/91/75/343649175.db2.gz PPSDVAOWFJXKJT-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)[C@H](O)c1cc(C)cc(C)c1 86020002 343649198 /nfs/dbraw/zinc/64/91/98/343649198.db2.gz FVCAWGRLVQENTK-LBPRGKRZSA-N 0 0 176.259 2.913 10 30 AFEERN C=C(C)CCC[C@H](O)C(C)C 86064169 343649222 /nfs/dbraw/zinc/64/92/22/343649222.db2.gz DAFDIDSPMBWPSY-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)C[C@@H](O)c1cccc(C)c1 86059798 343649267 /nfs/dbraw/zinc/64/92/67/343649267.db2.gz VQHSHXUJNSWOSH-GFCCVEGCSA-N 0 0 176.259 2.995 10 30 AFEERN C=C(C)C[C@H](O)c1ccccc1C 86059796 343649317 /nfs/dbraw/zinc/64/93/17/343649317.db2.gz SWYBVUFSFAGIFL-LBPRGKRZSA-N 0 0 176.259 2.995 10 30 AFEERN C=C(C)C[C@@H](O)c1ccc(C)cc1 86059732 343649371 /nfs/dbraw/zinc/64/93/71/343649371.db2.gz JORWLZGJPVELLX-GFCCVEGCSA-N 0 0 176.259 2.995 10 30 AFEERN C=C(C)[C@@H](O)c1cc(C)cc(C)c1 86020000 343649406 /nfs/dbraw/zinc/64/94/06/343649406.db2.gz FVCAWGRLVQENTK-GFCCVEGCSA-N 0 0 176.259 2.913 10 30 AFEERN C=C(C)CCCC(=O)C(C)C 86063525 343649424 /nfs/dbraw/zinc/64/94/24/343649424.db2.gz QBISHAWRNIZNAW-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=CC[C@H](O)c1ccc(C)s1 86712766 343654250 /nfs/dbraw/zinc/65/42/50/343654250.db2.gz LLFMMSAPSGUZDC-QMMMGPOBSA-N 0 0 168.261 2.666 10 30 AFEERN CC1=N[C@](C)([C@@H](C)S)S[C@@H]1C 86862033 343656156 /nfs/dbraw/zinc/65/61/56/343656156.db2.gz JONCGZCLRCTNMQ-PRJMDXOYSA-N 0 0 189.349 2.617 10 30 AFEERN CC1=N[C@](C)([C@@H](C)S)S[C@H]1C 86862035 343656230 /nfs/dbraw/zinc/65/62/30/343656230.db2.gz JONCGZCLRCTNMQ-RNJXMRFFSA-N 0 0 189.349 2.617 10 30 AFEERN CC(C)[C@@H](C)Oc1ccc(C#N)cc1 87469245 343661405 /nfs/dbraw/zinc/66/14/05/343661405.db2.gz RNUORGKNJUCXFA-SNVBAGLBSA-N 0 0 189.258 2.982 10 30 AFEERN CC(C)[C@H](C)Oc1ccc(C#N)cc1 87469246 343661417 /nfs/dbraw/zinc/66/14/17/343661417.db2.gz RNUORGKNJUCXFA-JTQLQIEISA-N 0 0 189.258 2.982 10 30 AFEERN N#CC1(c2cccnc2)CCCCC1 87617361 343662745 /nfs/dbraw/zinc/66/27/45/343662745.db2.gz JRUUKWFSWAHVDA-UHFFFAOYSA-N 0 0 186.258 2.807 10 30 AFEERN N#Cc1ccc(Cl)cc1NCCF 87775273 343663867 /nfs/dbraw/zinc/66/38/67/343663867.db2.gz MQZMAIAQKXNVHZ-UHFFFAOYSA-N 0 0 198.628 2.593 10 30 AFEERN N#Cc1ccc(NCCF)cc1Cl 87774721 343664098 /nfs/dbraw/zinc/66/40/98/343664098.db2.gz WSEGGSROCCPRKD-UHFFFAOYSA-N 0 0 198.628 2.593 10 30 AFEERN CC#CCOc1c(C)cc(C#N)cc1C 88154472 343668401 /nfs/dbraw/zinc/66/84/01/343668401.db2.gz FZQKWSCHCMLJKZ-UHFFFAOYSA-N 0 0 199.253 2.577 10 30 AFEERN CCCCCCCn1ccnc1C=O 88379530 343671092 /nfs/dbraw/zinc/67/10/92/343671092.db2.gz CRNDJMDTCXWNNG-UHFFFAOYSA-N 0 0 194.278 2.666 10 30 AFEERN C[C@H](C#N)c1cccc2cc[nH]c12 89209243 343673308 /nfs/dbraw/zinc/67/33/08/343673308.db2.gz UBJDRFJRXILFJP-MRVPVSSYSA-N 0 0 170.215 2.795 10 30 AFEERN Cc1ccc2[nH]ccc2c1CC#N 89204309 343673377 /nfs/dbraw/zinc/67/33/77/343673377.db2.gz HYMSJTDDODLOOY-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN CCC/C(=N/O)c1ccc(OC)cc1 90415959 343675496 /nfs/dbraw/zinc/67/54/96/343675496.db2.gz GVAYHXYGYSLCPC-QXMHVHEDSA-N 0 0 193.246 2.674 10 30 AFEERN C=CCCOc1cccc(F)c1F 90557794 343676444 /nfs/dbraw/zinc/67/64/44/343676444.db2.gz CTAPJHSTGJZLIA-UHFFFAOYSA-N 0 0 184.185 2.920 10 30 AFEERN C=C(C)[C@H]1CCCCCC1=O 90755902 343676893 /nfs/dbraw/zinc/67/68/93/343676893.db2.gz OKPIVKGFRSJJAF-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C#C/C=C/C(=C)C 90755781 343677067 /nfs/dbraw/zinc/67/70/67/343677067.db2.gz FOYBSZFNGFTKSB-FNORWQNLSA-N 0 0 132.206 2.698 10 30 AFEERN CCc1ccc(CCC=O)c(C)c1 95938110 343691658 /nfs/dbraw/zinc/69/16/58/343691658.db2.gz VGYYUVHXLLZKCR-UHFFFAOYSA-N 0 0 176.259 2.689 10 30 AFEERN C/C=C\C(=O)c1ccc(F)cc1 96096110 343694551 /nfs/dbraw/zinc/69/45/51/343694551.db2.gz RWXBVDXHQHMYOF-IHWYPQMZSA-N 0 0 164.179 2.585 10 30 AFEERN Cc1cc(C)c(C#N)c(Cl)c1 97694384 343703197 /nfs/dbraw/zinc/70/31/97/343703197.db2.gz RGRIMYCTVVTBBK-UHFFFAOYSA-N 0 0 165.623 2.829 10 30 AFEERN CC(C)c1ccc(/C=N\O)cc1 100082474 343710836 /nfs/dbraw/zinc/71/08/36/343710836.db2.gz NVKXBDITZDURNJ-XFFZJAGNSA-N 0 0 163.220 2.618 10 30 AFEERN C=C(C)[C@@H]1CCCCCC1=O 100219809 343712950 /nfs/dbraw/zinc/71/29/50/343712950.db2.gz OKPIVKGFRSJJAF-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@H](C)/C(=N\O)c1ccccc1 100243166 343713741 /nfs/dbraw/zinc/71/37/41/343713741.db2.gz ZWXGJRIWYWRUFF-QZOQKNACSA-N 0 0 177.247 2.911 10 30 AFEERN CC(C)c1ccc(C(=O)C#N)cc1 100268219 343714195 /nfs/dbraw/zinc/71/41/95/343714195.db2.gz WEXGGTBLMXOLQU-UHFFFAOYSA-N 0 0 173.215 2.516 10 30 AFEERN CCCCCCC[C@H](CCO)OC 100253827 343714204 /nfs/dbraw/zinc/71/42/04/343714204.db2.gz FVSDHZHOJJXJTA-LLVKDONJSA-N 0 0 188.311 2.744 10 30 AFEERN CCCCCCCCN(C)C(C)=O 100295942 343715153 /nfs/dbraw/zinc/71/51/53/343715153.db2.gz ZQIMLTGSNPWLOO-UHFFFAOYSA-N 0 0 185.311 2.825 10 30 AFEERN CCCCCCCCCOCCO 100312755 343715407 /nfs/dbraw/zinc/71/54/07/343715407.db2.gz IVVIWWSNOHDUFQ-UHFFFAOYSA-N 0 0 188.311 2.746 10 30 AFEERN CC/N=C/c1c(O)ccc2ccccc12 100361170 343715962 /nfs/dbraw/zinc/71/59/62/343715962.db2.gz HPTRMLDYMAIMCF-NTEUORMPSA-N 0 0 199.253 2.984 10 30 AFEERN C=C(C)[C@H](C)C(=O)C(C)(C)C 101069523 343722594 /nfs/dbraw/zinc/72/25/94/343722594.db2.gz BBWANVSATBDGOP-QMMMGPOBSA-N 0 0 154.253 2.814 10 30 AFEERN Cc1csc(CC#N)c1Cl 102995999 343726476 /nfs/dbraw/zinc/72/64/76/343726476.db2.gz XYGSWMLGQLRHBM-UHFFFAOYSA-N 0 0 171.652 2.776 10 30 AFEERN C=C(C)[C@@H]1CC[C@@](C)(OC(C)=O)[C@H]1C 104369265 343731053 /nfs/dbraw/zinc/73/10/53/343731053.db2.gz NKWCOKZUKIEZAR-ZMLRMANQSA-N 0 0 196.290 2.930 10 30 AFEERN CC[C@H](C)/C=N/[S@@](=O)C(C)(C)C 104504482 343731819 /nfs/dbraw/zinc/73/18/19/343731819.db2.gz IPGDRYLIWASROP-CASNXGGPSA-N 0 0 189.324 2.566 10 30 AFEERN CC[C@@H](C)/C=N/[S@@](=O)C(C)(C)C 104504478 343731832 /nfs/dbraw/zinc/73/18/32/343731832.db2.gz IPGDRYLIWASROP-AGPUYFDWSA-N 0 0 189.324 2.566 10 30 AFEERN CCCC/C=N/[S@@](=O)C(C)(C)C 104504472 343731846 /nfs/dbraw/zinc/73/18/46/343731846.db2.gz LUXHRMWIRCPVFJ-ZJNQMXKESA-N 0 0 189.324 2.710 10 30 AFEERN CC[C@H](C)/C=N/[S@](=O)C(C)(C)C 104504489 343732079 /nfs/dbraw/zinc/73/20/79/343732079.db2.gz IPGDRYLIWASROP-CNFGCUPESA-N 0 0 189.324 2.566 10 30 AFEERN CCCC/C=N/[S@](=O)C(C)(C)C 104504475 343732082 /nfs/dbraw/zinc/73/20/82/343732082.db2.gz LUXHRMWIRCPVFJ-OANVXVOSSA-N 0 0 189.324 2.710 10 30 AFEERN CC[C@@H](C)/C=N/[S@](=O)C(C)(C)C 104504485 343732121 /nfs/dbraw/zinc/73/21/21/343732121.db2.gz IPGDRYLIWASROP-YJCPHQGFSA-N 0 0 189.324 2.566 10 30 AFEERN C=C[C@H](C)[C@H](C)C=C 104526222 343732442 /nfs/dbraw/zinc/73/24/42/343732442.db2.gz BKVALJGAKNDDJJ-OCAPTIKFSA-N 0 0 110.200 2.631 10 30 AFEERN C=C[C@H](C)[C@@H](C)C=C 104526220 343732586 /nfs/dbraw/zinc/73/25/86/343732586.db2.gz BKVALJGAKNDDJJ-YUMQZZPRSA-N 0 0 110.200 2.631 10 30 AFEERN C=C[C@@H](C)[C@H](C)C=C 104526228 343732630 /nfs/dbraw/zinc/73/26/30/343732630.db2.gz BKVALJGAKNDDJJ-HTQZYQBOSA-N 0 0 110.200 2.631 10 30 AFEERN C=C[C@@H](CC)C(C)C 111346551 343754179 /nfs/dbraw/zinc/75/41/79/343754179.db2.gz DTNALCAUPPLROB-QMMMGPOBSA-N 0 0 112.216 2.855 10 30 AFEERN C=C(C)c1ccc(NC)cc1 104605973 343734170 /nfs/dbraw/zinc/73/41/70/343734170.db2.gz LXYQXPSZLDWJEV-UHFFFAOYSA-N 0 0 147.221 2.761 10 30 AFEERN CCCCCCC[C@H](C)NC(C)=O 105406092 343736492 /nfs/dbraw/zinc/73/64/92/343736492.db2.gz LSPANCZXVXNZEA-JTQLQIEISA-N 0 0 185.311 2.872 10 30 AFEERN CC/C(=N/O)c1ccc(Cl)cc1 105626206 343736565 /nfs/dbraw/zinc/73/65/65/343736565.db2.gz JOHMPLNVDHNKFD-LUAWRHEFSA-N 0 0 183.638 2.928 10 30 AFEERN CC(C)(C)C(O)=CC(=O)C(F)(F)F 106262541 343737720 /nfs/dbraw/zinc/73/77/20/343737720.db2.gz HXFREJUPDFVQIA-XQRVVYSFSA-N 0 0 196.168 2.606 10 30 AFEERN CCCCCCC(=O)C=C(C)O 106262526 343737755 /nfs/dbraw/zinc/73/77/55/343737755.db2.gz JEAWAHUJCMGGAN-HJWRWDBZSA-N 0 0 170.252 2.988 10 30 AFEERN CC(=O)/C=C(/C)C(C)(C)C 106607104 343738815 /nfs/dbraw/zinc/73/88/15/343738815.db2.gz LPARYLNSXBSISE-SREVYHEPSA-N 0 0 140.226 2.568 10 30 AFEERN O=CC1(C2CCCCC2)CCOCC1 106873411 343739257 /nfs/dbraw/zinc/73/92/57/343739257.db2.gz BHPIIZZABONTCZ-UHFFFAOYSA-N 0 0 196.290 2.562 10 30 AFEERN N#CC#Cc1ccc(Cl)c(Cl)c1 106872797 343739288 /nfs/dbraw/zinc/73/92/88/343739288.db2.gz QMRABQFGOPWPFR-UHFFFAOYSA-N 0 0 196.036 2.868 10 30 AFEERN CCC[C@@H](C=O)CC(C)C 107156924 343744889 /nfs/dbraw/zinc/74/48/89/343744889.db2.gz DBGDPSNNYBETGJ-SECBINFHSA-N 0 0 142.242 2.648 10 30 AFEERN CCC[C@H](C=O)CC(C)C 107156921 343745029 /nfs/dbraw/zinc/74/50/29/343745029.db2.gz DBGDPSNNYBETGJ-VIFPVBQESA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@@H](C=O)c1ccccc1C 107159837 343745331 /nfs/dbraw/zinc/74/53/31/343745331.db2.gz YEUHHLOINOULTR-JTQLQIEISA-N 0 0 162.232 2.688 10 30 AFEERN CC[C@@H](C=O)c1cccc(F)c1 107161055 343745396 /nfs/dbraw/zinc/74/53/96/343745396.db2.gz IAPRUTZQXVMXIH-QMMMGPOBSA-N 0 0 166.195 2.518 10 30 AFEERN Cc1cccc([C@@H](C)CC=O)c1 107159814 343745516 /nfs/dbraw/zinc/74/55/16/343745516.db2.gz DBOHOOKUJUYJBX-JTQLQIEISA-N 0 0 162.232 2.688 10 30 AFEERN CC[C@H](C=O)c1ccccc1C 107159840 343745545 /nfs/dbraw/zinc/74/55/45/343745545.db2.gz YEUHHLOINOULTR-SNVBAGLBSA-N 0 0 162.232 2.688 10 30 AFEERN CC[C@H](C=O)c1cccc(F)c1 107161058 343745558 /nfs/dbraw/zinc/74/55/58/343745558.db2.gz IAPRUTZQXVMXIH-MRVPVSSYSA-N 0 0 166.195 2.518 10 30 AFEERN Cc1cccc([C@H](C)CC=O)c1 107159817 343745588 /nfs/dbraw/zinc/74/55/88/343745588.db2.gz DBOHOOKUJUYJBX-SNVBAGLBSA-N 0 0 162.232 2.688 10 30 AFEERN Cc1cc(C)cc([C@@H](C)C=O)c1 107159825 343745600 /nfs/dbraw/zinc/74/56/00/343745600.db2.gz LYDDJPHNCOMYTR-JTQLQIEISA-N 0 0 162.232 2.606 10 30 AFEERN CC[C@@H](C=O)Cc1ccc(C)cc1 107165209 343745834 /nfs/dbraw/zinc/74/58/34/343745834.db2.gz HSBWTKBBRVANPD-LLVKDONJSA-N 0 0 176.259 2.763 10 30 AFEERN CC[C@H](C=O)CCc1ccccc1 107165178 343745964 /nfs/dbraw/zinc/74/59/64/343745964.db2.gz OHLUVCWKHWZFDS-NSHDSACASA-N 0 0 176.259 2.844 10 30 AFEERN CC[C@H](C=O)Cc1ccc(C)cc1 107165207 343746130 /nfs/dbraw/zinc/74/61/30/343746130.db2.gz HSBWTKBBRVANPD-NSHDSACASA-N 0 0 176.259 2.763 10 30 AFEERN CC[C@@H](C=O)CCc1ccccc1 107165182 343746132 /nfs/dbraw/zinc/74/61/32/343746132.db2.gz OHLUVCWKHWZFDS-LLVKDONJSA-N 0 0 176.259 2.844 10 30 AFEERN C[C@H](C=O)Cc1ccc2c(c1)CCC2 107173905 343746680 /nfs/dbraw/zinc/74/66/80/343746680.db2.gz LCQRZZVTIYKEKZ-JTQLQIEISA-N 0 0 188.270 2.553 10 30 AFEERN C[C@@H](C=O)Cc1ccc2c(c1)CCC2 107173907 343746808 /nfs/dbraw/zinc/74/68/08/343746808.db2.gz LCQRZZVTIYKEKZ-SNVBAGLBSA-N 0 0 188.270 2.553 10 30 AFEERN CC(C)c1ccccc1CC=O 107327679 343749148 /nfs/dbraw/zinc/74/91/48/343749148.db2.gz CGDFQBIWWHKHCN-UHFFFAOYSA-N 0 0 162.232 2.551 10 30 AFEERN C=CC[C@@H]1C=CCC1 111332042 343754339 /nfs/dbraw/zinc/75/43/39/343754339.db2.gz VWGHETFSGHHDRB-MRVPVSSYSA-N 0 0 108.184 2.529 10 30 AFEERN N#Cc1c[nH]c(F)c1-c1ccccc1 112971868 343756142 /nfs/dbraw/zinc/75/61/42/343756142.db2.gz SVEYNKBGMBXKPX-UHFFFAOYSA-N 0 0 186.189 2.692 10 30 AFEERN C=C(C)C(=O)Oc1ccccc1CC 113210097 343757723 /nfs/dbraw/zinc/75/77/23/343757723.db2.gz SSGLEMWHDJHHNH-UHFFFAOYSA-N 0 0 190.242 2.731 10 30 AFEERN C#CC(C)(C)c1ccc(F)cc1 113274331 343758177 /nfs/dbraw/zinc/75/81/77/343758177.db2.gz AXLCDWYLYUOJAM-UHFFFAOYSA-N 0 0 162.207 2.737 10 30 AFEERN CC[C@H](C)C(C)(C)C#N 113555005 343759254 /nfs/dbraw/zinc/75/92/54/343759254.db2.gz OBUNXJYSQKJXSQ-ZETCQYMHSA-N 0 0 125.215 2.582 10 30 AFEERN CC(=O)c1ccc(C2(C#N)CCC2)cc1 113538183 343759417 /nfs/dbraw/zinc/75/94/17/343759417.db2.gz JIUJDPYXIMYHKM-UHFFFAOYSA-N 0 0 199.253 2.834 10 30 AFEERN C=C(C)c1cccc(C2OCCO2)c1 113541891 343759434 /nfs/dbraw/zinc/75/94/34/343759434.db2.gz UGQQFPCOJFHOBX-UHFFFAOYSA-N 0 0 190.242 2.765 10 30 AFEERN C=CCc1c(C)ccc2c1ccc[n+]2[O-] 113816539 343760248 /nfs/dbraw/zinc/76/02/48/343760248.db2.gz PZYYZYJWGJOXRP-UHFFFAOYSA-N 0 0 199.253 2.510 10 30 AFEERN C#CCOc1cccc2c1CCCC2 113820911 343760442 /nfs/dbraw/zinc/76/04/42/343760442.db2.gz CVBSELIAEINQTL-UHFFFAOYSA-N 0 0 186.254 2.577 10 30 AFEERN O/N=C/c1ccc(-c2ccccn2)cc1 113983974 343760710 /nfs/dbraw/zinc/76/07/10/343760710.db2.gz HXUIEGIVOLCDBZ-NTEUORMPSA-N 0 0 198.225 2.557 10 30 AFEERN CC(C)(C)C#Cc1ccc(C#N)cc1 113986861 343761005 /nfs/dbraw/zinc/76/10/05/343761005.db2.gz XWIGNDNNNOAXFE-UHFFFAOYSA-N 0 0 183.254 2.956 10 30 AFEERN C/C=C\CCCCC#N 113997861 343761032 /nfs/dbraw/zinc/76/10/32/343761032.db2.gz USXILEVHWYGLKS-IHWYPQMZSA-N 0 0 123.199 2.646 10 30 AFEERN C=C(C)c1ccncc1Br 114026396 343761642 /nfs/dbraw/zinc/76/16/42/343761642.db2.gz QOWQCISJGFIFBJ-UHFFFAOYSA-N 0 0 198.063 2.877 10 30 AFEERN SC[C@H]1CCC[C@@H](CS)C1 114285410 343762054 /nfs/dbraw/zinc/76/20/54/343762054.db2.gz IDMCXJRWHDUNRT-OCAPTIKFSA-N 0 0 176.350 2.652 10 30 AFEERN CC(=O)c1cccc([C@@H](C)C#N)c1 114403226 343762461 /nfs/dbraw/zinc/76/24/61/343762461.db2.gz UORAHYVJWIQFAO-QMMMGPOBSA-N 0 0 173.215 2.516 10 30 AFEERN CC(=O)c1cccc([C@H](C)C#N)c1 114403228 343762809 /nfs/dbraw/zinc/76/28/09/343762809.db2.gz UORAHYVJWIQFAO-MRVPVSSYSA-N 0 0 173.215 2.516 10 30 AFEERN CCCCCCCC(=O)OF 114349441 343762861 /nfs/dbraw/zinc/76/28/61/343762861.db2.gz QVWTVJHDWLMMTC-UHFFFAOYSA-N 0 0 162.204 2.775 10 30 AFEERN C=CCCCC[C@@H]1COC(C)(C)O1 114646853 343763442 /nfs/dbraw/zinc/76/34/42/343763442.db2.gz HVQDBEDUGJLECU-SNVBAGLBSA-N 0 0 184.279 2.884 10 30 AFEERN C=CCCCC[C@H]1COC(C)(C)O1 114646855 343763479 /nfs/dbraw/zinc/76/34/79/343763479.db2.gz HVQDBEDUGJLECU-JTQLQIEISA-N 0 0 184.279 2.884 10 30 AFEERN CCCCCC#CC1CC1 114661617 343763850 /nfs/dbraw/zinc/76/38/50/343763850.db2.gz LFCWCOMYSKIRCQ-UHFFFAOYSA-N 0 0 136.238 2.980 10 30 AFEERN C=C(C)C(C)=C(C)C 114706662 343764103 /nfs/dbraw/zinc/76/41/03/343764103.db2.gz CUAOCFVIXYPQCH-UHFFFAOYSA-N 0 0 110.200 2.919 10 30 AFEERN C=CCCC[C@@H]1CCC[C@@]1(C)O 114769320 343764172 /nfs/dbraw/zinc/76/41/72/343764172.db2.gz DBXJQNJHJBZMQK-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)[C@H](C#N)c1ccc(Cl)nc1 114769685 343764313 /nfs/dbraw/zinc/76/43/13/343764313.db2.gz KCDOYYZFQXSBHT-VIFPVBQESA-N 0 0 194.665 2.998 10 30 AFEERN CC(C)[C@@H](C#N)c1ccc(Cl)nc1 114769683 343764425 /nfs/dbraw/zinc/76/44/25/343764425.db2.gz KCDOYYZFQXSBHT-SECBINFHSA-N 0 0 194.665 2.998 10 30 AFEERN C=C/C=C/C(=O)c1ccccc1 114822151 343764955 /nfs/dbraw/zinc/76/49/55/343764955.db2.gz VQMPPKIHOBTQQK-YCRREMRBSA-N 0 0 158.200 2.612 10 30 AFEERN C[C@@H]1CC[C@H](CC=O)C1(C)C 116087605 343768353 /nfs/dbraw/zinc/76/83/53/343768353.db2.gz QHEPENBPYBTHHJ-RKDXNWHRSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@H]1CC[C@@H](CC=O)C1(C)C 116087602 343768361 /nfs/dbraw/zinc/76/83/61/343768361.db2.gz QHEPENBPYBTHHJ-IUCAKERBSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@H]1CC[C@H](CC=O)C1(C)C 116087606 343768549 /nfs/dbraw/zinc/76/85/49/343768549.db2.gz QHEPENBPYBTHHJ-DTWKUNHWSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@@H]1CC[C@@H](CC=O)C1(C)C 116087598 343768575 /nfs/dbraw/zinc/76/85/75/343768575.db2.gz QHEPENBPYBTHHJ-BDAKNGLRSA-N 0 0 154.253 2.648 10 30 AFEERN Fc1ccc(C#Cc2cccnc2)cc1 116297734 343768887 /nfs/dbraw/zinc/76/88/87/343768887.db2.gz SNNFAXICQGRHBK-UHFFFAOYSA-N 0 0 197.212 2.621 10 30 AFEERN Fc1cncc(C#Cc2ccccc2)c1 116290705 343769218 /nfs/dbraw/zinc/76/92/18/343769218.db2.gz PPBLYHGQVQKIRK-UHFFFAOYSA-N 0 0 197.212 2.621 10 30 AFEERN Cc1cncc(C#Cc2ccccc2)c1 116293323 343769221 /nfs/dbraw/zinc/76/92/21/343769221.db2.gz YPBXYJPXEJDANQ-UHFFFAOYSA-N 0 0 193.249 2.790 10 30 AFEERN C=C[C@H](C)[C@@H]1CCc2cccnc21 116880003 343770826 /nfs/dbraw/zinc/77/08/26/343770826.db2.gz KPPKTJBSYYJJHO-ONGXEEELSA-N 0 0 173.259 2.934 10 30 AFEERN CCCCCCC[C@@H](CCO)OC 116790181 343770840 /nfs/dbraw/zinc/77/08/40/343770840.db2.gz FVSDHZHOJJXJTA-NSHDSACASA-N 0 0 188.311 2.744 10 30 AFEERN C=C[C@H](C)[C@H]1CCc2cccnc21 116880006 343771327 /nfs/dbraw/zinc/77/13/27/343771327.db2.gz KPPKTJBSYYJJHO-GXSJLCMTSA-N 0 0 173.259 2.934 10 30 AFEERN C=CC(C)(C)c1ccc2c(c1)OCO2 116989256 343771507 /nfs/dbraw/zinc/77/15/07/343771507.db2.gz UDIDTFDXKLLBKF-UHFFFAOYSA-N 0 0 190.242 2.879 10 30 AFEERN C=CCc1c(CCC)ccc(O)c1O 116985698 343771633 /nfs/dbraw/zinc/77/16/33/343771633.db2.gz JMLWJHMLCCHRGC-UHFFFAOYSA-N 0 0 192.258 2.779 10 30 AFEERN CC(C)c1cc(C#N)cc2ncoc12 116966578 343771713 /nfs/dbraw/zinc/77/17/13/343771713.db2.gz NAYKLIMNROBQOL-UHFFFAOYSA-N 0 0 186.214 2.823 10 30 AFEERN C=C[C@@H](C)[C@@H]1CCc2cccnc21 116880004 343771728 /nfs/dbraw/zinc/77/17/28/343771728.db2.gz KPPKTJBSYYJJHO-KOLCDFICSA-N 0 0 173.259 2.934 10 30 AFEERN C=C[C@@H](C)[C@H]1CCc2cccnc21 116880007 343771810 /nfs/dbraw/zinc/77/18/10/343771810.db2.gz KPPKTJBSYYJJHO-MWLCHTKSSA-N 0 0 173.259 2.934 10 30 AFEERN C=CCc1cc(O)c(O)cc1CC=C 116987435 343771891 /nfs/dbraw/zinc/77/18/91/343771891.db2.gz HUPKYJVMFZEFOA-UHFFFAOYSA-N 0 0 190.242 2.555 10 30 AFEERN CC1C[C@@H]2CC(=NO)C[C@H](C1)C2 117312730 343772531 /nfs/dbraw/zinc/77/25/31/343772531.db2.gz AZKMSJJVLVNYCJ-CBLAIPOGSA-N 0 0 167.252 2.663 10 30 AFEERN CC(C)=CC(=O)CC(C)(C)C 118422406 343775644 /nfs/dbraw/zinc/77/56/44/343775644.db2.gz QYOSUFGWQDQDSN-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN CC/C=C\CC1=CCCC1=O 118597424 343775938 /nfs/dbraw/zinc/77/59/38/343775938.db2.gz ZRPXEBBESHWNJZ-ARJAWSKDSA-N 0 0 150.221 2.632 10 30 AFEERN CO/N=C(\C)C1=CCCCC1 118589336 343776109 /nfs/dbraw/zinc/77/61/09/343776109.db2.gz DZZMTJGIEOJJOQ-CSKARUKUSA-N 0 0 153.225 2.509 10 30 AFEERN CC(=O)/C(C)=C/c1ccc(C)cc1 118901305 343777316 /nfs/dbraw/zinc/77/73/16/343777316.db2.gz AASOLBGKGINRHX-CSKARUKUSA-N 0 0 174.243 2.987 10 30 AFEERN CC(C)C[C@@H](O)c1cccc(C#N)c1 126837298 343797986 /nfs/dbraw/zinc/79/79/86/343797986.db2.gz OORCXTUJIHAMIF-GFCCVEGCSA-N 0 0 189.258 2.638 10 30 AFEERN CC(C)C[C@H](O)c1cccc(C#N)c1 126837095 343798157 /nfs/dbraw/zinc/79/81/57/343798157.db2.gz OORCXTUJIHAMIF-LBPRGKRZSA-N 0 0 189.258 2.638 10 30 AFEERN C=C(Cl)CNc1ccc(C)cn1 127196163 343806856 /nfs/dbraw/zinc/80/68/56/343806856.db2.gz GEYNRRASNMIQIA-UHFFFAOYSA-N 0 0 182.654 2.554 10 30 AFEERN C#CC[C@H](C)Nc1ccc(Cl)cn1 127323091 343809659 /nfs/dbraw/zinc/80/96/59/343809659.db2.gz PYMKOYXODQRERE-QMMMGPOBSA-N 0 0 194.665 2.559 10 30 AFEERN C#CC[C@@H](C)Nc1ccc(Cl)cn1 127323322 343809802 /nfs/dbraw/zinc/80/98/02/343809802.db2.gz PYMKOYXODQRERE-MRVPVSSYSA-N 0 0 194.665 2.559 10 30 AFEERN [N-]=[N+]=Nc1cc(Cl)nnc1Cl 127362539 343810868 /nfs/dbraw/zinc/81/08/68/343810868.db2.gz BACFLYWCAHAHMV-UHFFFAOYSA-N 0 0 189.993 2.725 10 30 AFEERN CC[C@H](C)[C@@](C)(Br)C#N 127605653 343815097 /nfs/dbraw/zinc/81/50/97/343815097.db2.gz OPTRGNWAHDBSBA-BQBZGAKWSA-N 0 0 190.084 2.710 10 30 AFEERN CC[C@@H](C)[C@](C)(Br)C#N 127604962 343815105 /nfs/dbraw/zinc/81/51/05/343815105.db2.gz OPTRGNWAHDBSBA-RNFRBKRXSA-N 0 0 190.084 2.710 10 30 AFEERN CC[C@@H](C)[C@@](C)(Br)C#N 127605416 343815156 /nfs/dbraw/zinc/81/51/56/343815156.db2.gz OPTRGNWAHDBSBA-RQJHMYQMSA-N 0 0 190.084 2.710 10 30 AFEERN CC[C@H](C)[C@](C)(Br)C#N 127605184 343815226 /nfs/dbraw/zinc/81/52/26/343815226.db2.gz OPTRGNWAHDBSBA-NKWVEPMBSA-N 0 0 190.084 2.710 10 30 AFEERN [N-]=[N+]=Nc1ccc2c(n1)CCC2 127686184 343816900 /nfs/dbraw/zinc/81/69/00/343816900.db2.gz MAGWAJWSYRBBQF-UHFFFAOYSA-N 0 0 160.180 2.512 10 30 AFEERN C=CCC(=O)c1ccc2cccnc2c1 128160136 343825717 /nfs/dbraw/zinc/82/57/17/343825717.db2.gz MQFFFGKXFOHGLZ-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN C=CCC(=O)c1sccc1C 128176253 343825924 /nfs/dbraw/zinc/82/59/24/343825924.db2.gz GAKAFFASVGIVBH-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN C=CCC(=O)c1csc(C)c1 128170093 343825957 /nfs/dbraw/zinc/82/59/57/343825957.db2.gz RXSLORRAUVPGNX-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN N#Cc1nccn1C1CCCCCC1 128489245 343832927 /nfs/dbraw/zinc/83/29/27/343832927.db2.gz XHQCJUZBFXVLKK-UHFFFAOYSA-N 0 0 189.262 2.650 10 30 AFEERN C1CCCC(C[C@@H]2CO2)CC1 129065829 343843883 /nfs/dbraw/zinc/84/38/83/343843883.db2.gz LCOKQCLHDKIYLT-SNVBAGLBSA-N 0 0 154.253 2.746 10 30 AFEERN C1CCCC(C[C@H]2CO2)CC1 129066061 343843966 /nfs/dbraw/zinc/84/39/66/343843966.db2.gz LCOKQCLHDKIYLT-JTQLQIEISA-N 0 0 154.253 2.746 10 30 AFEERN Cc1cccc(C(=O)CC#N)c1Cl 129112869 343844249 /nfs/dbraw/zinc/84/42/49/343844249.db2.gz KMRMSRFYHJZRGV-UHFFFAOYSA-N 0 0 193.633 2.745 10 30 AFEERN C=CCc1cc(F)cc(C)c1O 129301249 343847434 /nfs/dbraw/zinc/84/74/34/343847434.db2.gz AFUNDAOBSQQESG-UHFFFAOYSA-N 0 0 166.195 2.568 10 30 AFEERN C=CC[NH2+][C@H]1CCc2ccc(C)cc21 129358675 343848573 /nfs/dbraw/zinc/84/85/73/343848573.db2.gz TXBROSLQBFBHMR-ZDUSSCGKSA-N 0 0 187.286 2.758 10 30 AFEERN C=C(C)[C@]1(O)CCc2ccc(C)cc21 129407760 343849093 /nfs/dbraw/zinc/84/90/93/343849093.db2.gz IEIJTGDPRILAJJ-CYBMUJFWSA-N 0 0 188.270 2.705 10 30 AFEERN C=C(C)[C@@]1(O)CCc2ccc(C)cc21 129407975 343849184 /nfs/dbraw/zinc/84/91/84/343849184.db2.gz IEIJTGDPRILAJJ-ZDUSSCGKSA-N 0 0 188.270 2.705 10 30 AFEERN Cc1ccc2c(c1)[C@](Cl)(C#N)CC2 129426240 343849919 /nfs/dbraw/zinc/84/99/19/343849919.db2.gz HBLVNAHVRDPCPA-LLVKDONJSA-N 0 0 191.661 2.899 10 30 AFEERN C=C1CCc2ccc(C)cc21 129461631 343850473 /nfs/dbraw/zinc/85/04/73/343850473.db2.gz ROUQMBFHSNDGBW-UHFFFAOYSA-N 0 0 144.217 2.954 10 30 AFEERN N#C[C@@H]1CCCC[C@@H]1C(F)(F)F 129523893 343852642 /nfs/dbraw/zinc/85/26/42/343852642.db2.gz IQRYBZIABZCUKF-BQBZGAKWSA-N 0 0 177.169 2.879 10 30 AFEERN N#C[C@@H]1CCCC[C@H]1C(F)(F)F 129524098 343852526 /nfs/dbraw/zinc/85/25/26/343852526.db2.gz IQRYBZIABZCUKF-NKWVEPMBSA-N 0 0 177.169 2.879 10 30 AFEERN N#C[C@H]1CCCC[C@@H]1C(F)(F)F 129524292 343852576 /nfs/dbraw/zinc/85/25/76/343852576.db2.gz IQRYBZIABZCUKF-RQJHMYQMSA-N 0 0 177.169 2.879 10 30 AFEERN N#C[C@H]1CCCC[C@H]1C(F)(F)F 129524521 343852660 /nfs/dbraw/zinc/85/26/60/343852660.db2.gz IQRYBZIABZCUKF-RNFRBKRXSA-N 0 0 177.169 2.879 10 30 AFEERN N#C[C@H](c1cccnc1)C1CCCC1 129599161 343853680 /nfs/dbraw/zinc/85/36/80/343853680.db2.gz CUZPECSMAYXXBX-LBPRGKRZSA-N 0 0 186.258 2.879 10 30 AFEERN N#C[C@@H](c1ccccn1)C1CCCC1 129598952 343853683 /nfs/dbraw/zinc/85/36/83/343853683.db2.gz SCITVNVNJSTDIT-LLVKDONJSA-N 0 0 186.258 2.879 10 30 AFEERN N#C[C@@H](c1ccncc1)C1CCCC1 129599875 343853701 /nfs/dbraw/zinc/85/37/01/343853701.db2.gz SXBLUEYLAPGJDY-GFCCVEGCSA-N 0 0 186.258 2.879 10 30 AFEERN N#C[C@@H](c1cccnc1)C1CCCC1 129599395 343853704 /nfs/dbraw/zinc/85/37/04/343853704.db2.gz CUZPECSMAYXXBX-GFCCVEGCSA-N 0 0 186.258 2.879 10 30 AFEERN CCS[C@@H](C#N)C1CCCC1 129591148 343853715 /nfs/dbraw/zinc/85/37/15/343853715.db2.gz NBHLDOZDMSOHAK-VIFPVBQESA-N 0 0 169.293 2.822 10 30 AFEERN C#CC[C@H](C)Nc1ccncc1Cl 129625814 343854173 /nfs/dbraw/zinc/85/41/73/343854173.db2.gz SJZDXZKXKQYDCT-QMMMGPOBSA-N 0 0 194.665 2.559 10 30 AFEERN C#CC[C@@H](C)Nc1ccncc1Cl 129626050 343854246 /nfs/dbraw/zinc/85/42/46/343854246.db2.gz SJZDXZKXKQYDCT-MRVPVSSYSA-N 0 0 194.665 2.559 10 30 AFEERN CCC(C)(C)Oc1cccnc1C#N 130125597 343862403 /nfs/dbraw/zinc/86/24/03/343862403.db2.gz XYTVMYAMHRURSM-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN CCCCCOc1cccnc1C#N 130133770 343863445 /nfs/dbraw/zinc/86/34/45/343863445.db2.gz ZECZQRPAKAXNKX-UHFFFAOYSA-N 0 0 190.246 2.522 10 30 AFEERN C#CC[C@H](C)Nc1ncccc1Cl 130277370 343865499 /nfs/dbraw/zinc/86/54/99/343865499.db2.gz IJANANHFBSNJGB-QMMMGPOBSA-N 0 0 194.665 2.559 10 30 AFEERN C#CC[C@@H](C)Nc1ncccc1Cl 130277607 343865629 /nfs/dbraw/zinc/86/56/29/343865629.db2.gz IJANANHFBSNJGB-MRVPVSSYSA-N 0 0 194.665 2.559 10 30 AFEERN C#Cc1cc(C)nc2ccccc12 130330627 343867054 /nfs/dbraw/zinc/86/70/54/343867054.db2.gz ZNFBZSPTPLPFKG-UHFFFAOYSA-N 0 0 167.211 2.525 10 30 AFEERN C#C[C@@H]([NH2+]C)c1cc(C)cc(Cl)c1 130324019 343867063 /nfs/dbraw/zinc/86/70/63/343867063.db2.gz JJAWWMCFAWFZLN-LLVKDONJSA-N 0 0 193.677 2.542 10 30 AFEERN C#C[C@H]([NH2+]C)c1cc(C)cc(Cl)c1 130324236 343867099 /nfs/dbraw/zinc/86/70/99/343867099.db2.gz JJAWWMCFAWFZLN-NSHDSACASA-N 0 0 193.677 2.542 10 30 AFEERN C=C[C@H]([NH2+]C)c1sccc1Cl 130502423 343869340 /nfs/dbraw/zinc/86/93/40/343869340.db2.gz MRYGAJYRCWIUPX-ZETCQYMHSA-N 0 0 187.695 2.848 10 30 AFEERN C=C[C@@H]([NH2+]C)c1sccc1Cl 130502649 343869382 /nfs/dbraw/zinc/86/93/82/343869382.db2.gz MRYGAJYRCWIUPX-SSDOTTSWSA-N 0 0 187.695 2.848 10 30 AFEERN C=C[C@@H]([NH2+]C)c1cc(C)cc(C)c1 130518410 343869792 /nfs/dbraw/zinc/86/97/92/343869792.db2.gz FWBGJDZYVNBFMP-GFCCVEGCSA-N 0 0 175.275 2.750 10 30 AFEERN C=C[C@H]([NH2+]C)c1cc(C)cc(C)c1 130518651 343869835 /nfs/dbraw/zinc/86/98/35/343869835.db2.gz FWBGJDZYVNBFMP-LBPRGKRZSA-N 0 0 175.275 2.750 10 30 AFEERN C=C[C@@H](F)c1cccc2c1NCC2 130584635 343870274 /nfs/dbraw/zinc/87/02/74/343870274.db2.gz HSBRMEOTTUJZNW-SNVBAGLBSA-N 0 0 177.222 2.851 10 30 AFEERN C=C[C@H](F)c1cccc2c1NCC2 130584426 343870401 /nfs/dbraw/zinc/87/04/01/343870401.db2.gz HSBRMEOTTUJZNW-JTQLQIEISA-N 0 0 177.222 2.851 10 30 AFEERN C#Cc1ccc(C)cc1Br 130597869 343870878 /nfs/dbraw/zinc/87/08/78/343870878.db2.gz UESKTOOBVQXNFQ-UHFFFAOYSA-N 0 0 195.059 2.739 10 30 AFEERN C#CC[C@@H](C)Nc1nc(C)c(C)s1 130614899 343870982 /nfs/dbraw/zinc/87/09/82/343870982.db2.gz OAXIKAFBUXFBJM-SSDOTTSWSA-N 0 0 194.303 2.584 10 30 AFEERN CC(C)Sc1cc(C#N)ccc1N 130632859 343871518 /nfs/dbraw/zinc/87/15/18/343871518.db2.gz WLJZEXZDKBRUBZ-UHFFFAOYSA-N 0 0 192.287 2.641 10 30 AFEERN Cc1ccc(C#N)c(OCC(F)F)c1 130627610 343871586 /nfs/dbraw/zinc/87/15/86/343871586.db2.gz AWEQIBHFAUOKAN-UHFFFAOYSA-N 0 0 197.184 2.511 10 30 AFEERN C=C[C@H](C)Nc1cccc([N+](=O)[O-])c1 130661399 343871896 /nfs/dbraw/zinc/87/18/96/343871896.db2.gz MCAFTWSOSDWTBX-QMMMGPOBSA-N 0 0 192.218 2.581 10 30 AFEERN C=C[C@@H](C)Nc1cccc([N+](=O)[O-])c1 130661634 343871962 /nfs/dbraw/zinc/87/19/62/343871962.db2.gz MCAFTWSOSDWTBX-MRVPVSSYSA-N 0 0 192.218 2.581 10 30 AFEERN C[C@H](C#N)Oc1cccc(Cl)c1F 130657409 343872007 /nfs/dbraw/zinc/87/20/07/343872007.db2.gz AJNDDLZOWDMDQG-ZCFIWIBFSA-N 0 0 199.612 2.770 10 30 AFEERN C[C@@H](C#N)Oc1cccc(Cl)c1F 130657196 343872230 /nfs/dbraw/zinc/87/22/30/343872230.db2.gz AJNDDLZOWDMDQG-LURJTMIESA-N 0 0 199.612 2.770 10 30 AFEERN C=C(Cl)CNc1cc(C)ccn1 131070589 343879756 /nfs/dbraw/zinc/87/97/56/343879756.db2.gz LVVZFBMGNBAENL-UHFFFAOYSA-N 0 0 182.654 2.554 10 30 AFEERN CC(C)Sc1cccc(C#N)c1N 131153054 343880660 /nfs/dbraw/zinc/88/06/60/343880660.db2.gz IOCXRAVYRZXURV-UHFFFAOYSA-N 0 0 192.287 2.641 10 30 AFEERN C=C(C)[C@H]([NH2+]C)c1ccc(C)s1 131302420 343883184 /nfs/dbraw/zinc/88/31/84/343883184.db2.gz HNGPQCZLKKBPOA-JTQLQIEISA-N 0 0 181.304 2.893 10 30 AFEERN C=C(C)[C@@H]([NH3+])c1cccc(C)c1F 131296268 343883367 /nfs/dbraw/zinc/88/33/67/343883367.db2.gz UOQJCYTXFTXYDP-LLVKDONJSA-N 0 0 179.238 2.710 10 30 AFEERN C=C(C)[C@H]([NH3+])c1cccc(C)c1F 131296475 343883477 /nfs/dbraw/zinc/88/34/77/343883477.db2.gz UOQJCYTXFTXYDP-NSHDSACASA-N 0 0 179.238 2.710 10 30 AFEERN C=C(C)[C@@H]([NH2+]C)c1ccc(C)s1 131302210 343883535 /nfs/dbraw/zinc/88/35/35/343883535.db2.gz HNGPQCZLKKBPOA-SNVBAGLBSA-N 0 0 181.304 2.893 10 30 AFEERN C=C(C)[C@@H]([NH3+])c1sccc1C 131406845 343885307 /nfs/dbraw/zinc/88/53/07/343885307.db2.gz HXSRNBWYALFAOB-MRVPVSSYSA-N 0 0 167.277 2.632 10 30 AFEERN C=C(C)[C@@H]([NH3+])c1cc(C)c(C)s1 131436033 343885387 /nfs/dbraw/zinc/88/53/87/343885387.db2.gz QISACKSNGRXARZ-SNVBAGLBSA-N 0 0 181.304 2.941 10 30 AFEERN C=C(C)[C@H]([NH3+])c1sccc1Cl 131430408 343885408 /nfs/dbraw/zinc/88/54/08/343885408.db2.gz ZQWQGKCYVFQFLR-ZETCQYMHSA-N 0 0 187.695 2.977 10 30 AFEERN C=C(C)[C@H]([NH3+])c1sccc1C 131407012 343885435 /nfs/dbraw/zinc/88/54/35/343885435.db2.gz HXSRNBWYALFAOB-QMMMGPOBSA-N 0 0 167.277 2.632 10 30 AFEERN C=C(C)[C@H]([NH3+])c1cc(C)c(C)s1 131436248 343885440 /nfs/dbraw/zinc/88/54/40/343885440.db2.gz QISACKSNGRXARZ-JTQLQIEISA-N 0 0 181.304 2.941 10 30 AFEERN C=C(C)[C@@H]([NH3+])c1sccc1Cl 131430626 343885485 /nfs/dbraw/zinc/88/54/85/343885485.db2.gz ZQWQGKCYVFQFLR-SSDOTTSWSA-N 0 0 187.695 2.977 10 30 AFEERN CSCCC1(C#N)CCCC1 131643358 343887100 /nfs/dbraw/zinc/88/71/00/343887100.db2.gz FLWVGVVTXIAIAP-UHFFFAOYSA-N 0 0 169.293 2.823 10 30 AFEERN CSCC[C@@]1(C#N)CCCS1 131684463 343887544 /nfs/dbraw/zinc/88/75/44/343887544.db2.gz FFZRLOPFAIACLT-MRVPVSSYSA-N 0 0 187.333 2.529 10 30 AFEERN COc1ccc(C)cc1C(F)(F)C#N 131729523 343887548 /nfs/dbraw/zinc/88/75/48/343887548.db2.gz BERCGZXEFSJPAN-UHFFFAOYSA-N 0 0 197.184 2.619 10 30 AFEERN CSCC[C@]1(C#N)CCCS1 131684266 343887573 /nfs/dbraw/zinc/88/75/73/343887573.db2.gz FFZRLOPFAIACLT-QMMMGPOBSA-N 0 0 187.333 2.529 10 30 AFEERN CCOc1ccc(C(F)(F)C#N)cc1 131731215 343887578 /nfs/dbraw/zinc/88/75/78/343887578.db2.gz JUVMOHDFUQZSNZ-UHFFFAOYSA-N 0 0 197.184 2.701 10 30 AFEERN Cc1ccc(C(F)(F)C#N)cc1C 131733069 343888210 /nfs/dbraw/zinc/88/82/10/343888210.db2.gz NFALQCBBZHQIIW-UHFFFAOYSA-N 0 0 181.185 2.919 10 30 AFEERN CC[C@@H](C)SC(F)(F)C#N 131734779 343888243 /nfs/dbraw/zinc/88/82/43/343888243.db2.gz NCQKTVDICIIVJH-RXMQYKEDSA-N 0 0 165.208 2.634 10 30 AFEERN N#CC(F)(F)SC1CCCC1 131735183 343888312 /nfs/dbraw/zinc/88/83/12/343888312.db2.gz KQVRTGJOZNAQFH-UHFFFAOYSA-N 0 0 177.219 2.779 10 30 AFEERN CC(C)(C)SC(F)(F)C#N 131734330 343888409 /nfs/dbraw/zinc/88/84/09/343888409.db2.gz ITQOTAOSOBRPFN-UHFFFAOYSA-N 0 0 165.208 2.634 10 30 AFEERN CC[C@H](C)SC(F)(F)C#N 131734984 343888460 /nfs/dbraw/zinc/88/84/60/343888460.db2.gz NCQKTVDICIIVJH-YFKPBYRVSA-N 0 0 165.208 2.634 10 30 AFEERN CC(C)CCc1ccc(N)c(C#N)c1 131848100 343889275 /nfs/dbraw/zinc/88/92/75/343889275.db2.gz BIFHLIGRFTZSSO-UHFFFAOYSA-N 0 0 188.274 2.729 10 30 AFEERN CC(C)CCc1cccc(C#N)c1N 131848745 343889382 /nfs/dbraw/zinc/88/93/82/343889382.db2.gz IFRCWKWFBQPLBV-UHFFFAOYSA-N 0 0 188.274 2.729 10 30 AFEERN CC[C@H](C)c1ccc(N)c(C#N)c1 131837156 343889405 /nfs/dbraw/zinc/88/94/05/343889405.db2.gz FXAHGCSZQBIQSZ-QMMMGPOBSA-N 0 0 174.247 2.654 10 30 AFEERN CC[C@@H](C)c1ccc(N)c(C#N)c1 131836943 343889445 /nfs/dbraw/zinc/88/94/45/343889445.db2.gz FXAHGCSZQBIQSZ-MRVPVSSYSA-N 0 0 174.247 2.654 10 30 AFEERN CS[C@H](C)c1cccc(N)c1C#N 131860496 343889725 /nfs/dbraw/zinc/88/97/25/343889725.db2.gz NOWSAQYHQVLVAQ-SSDOTTSWSA-N 0 0 192.287 2.564 10 30 AFEERN CS[C@@H](C)c1cccc(N)c1C#N 131860310 343889933 /nfs/dbraw/zinc/88/99/33/343889933.db2.gz NOWSAQYHQVLVAQ-ZETCQYMHSA-N 0 0 192.287 2.564 10 30 AFEERN O=CCc1cc2cccc(Cl)c2o1 131850035 343889940 /nfs/dbraw/zinc/88/99/40/343889940.db2.gz RKTDPTWPGDRLEA-UHFFFAOYSA-N 0 0 194.617 2.828 10 30 AFEERN C#Cc1cc2cc(C)ccc2o1 131897983 343890578 /nfs/dbraw/zinc/89/05/78/343890578.db2.gz PXUYQHWRYBFMEM-UHFFFAOYSA-N 0 0 156.184 2.723 10 30 AFEERN C=CCCNc1ccc(F)cc1C#N 131904156 343890583 /nfs/dbraw/zinc/89/05/83/343890583.db2.gz VGSRJXQKRWXTGL-UHFFFAOYSA-N 0 0 190.221 2.685 10 30 AFEERN C=C(C)CNc1ccc(F)cc1C#N 131902628 343890709 /nfs/dbraw/zinc/89/07/09/343890709.db2.gz SGLORFRZDGFQSL-UHFFFAOYSA-N 0 0 190.221 2.685 10 30 AFEERN N#CC1(Cc2ccoc2)CCC1 132086438 343893837 /nfs/dbraw/zinc/89/38/37/343893837.db2.gz AANISBMHBRRHHC-UHFFFAOYSA-N 0 0 161.204 2.516 10 30 AFEERN N#CC1(Cc2ccoc2)CCCC1 132085388 343893941 /nfs/dbraw/zinc/89/39/41/343893941.db2.gz BKWHTJWVFNAOMX-UHFFFAOYSA-N 0 0 175.231 2.906 10 30 AFEERN Fc1ccc2oc(C[C@@H]3CO3)cc2c1 132104535 343894049 /nfs/dbraw/zinc/89/40/49/343894049.db2.gz PQJBXNSJMBLOSG-SNVBAGLBSA-N 0 0 192.189 2.513 10 30 AFEERN Fc1ccc2oc(C[C@H]3CO3)cc2c1 132104764 343894058 /nfs/dbraw/zinc/89/40/58/343894058.db2.gz PQJBXNSJMBLOSG-JTQLQIEISA-N 0 0 192.189 2.513 10 30 AFEERN N#C[C@@]1(Cc2ccoc2)CCCS1 132098120 343894066 /nfs/dbraw/zinc/89/40/66/343894066.db2.gz HGVCCVYOGUMGAL-JTQLQIEISA-N 0 0 193.271 2.611 10 30 AFEERN N#C[C@]1(Cc2ccoc2)CCCS1 132098301 343894116 /nfs/dbraw/zinc/89/41/16/343894116.db2.gz HGVCCVYOGUMGAL-SNVBAGLBSA-N 0 0 193.271 2.611 10 30 AFEERN CC(C)c1cnc(Cl)c(C#N)c1 132383101 343897383 /nfs/dbraw/zinc/89/73/83/343897383.db2.gz KNPLYUIUKUPTPJ-UHFFFAOYSA-N 0 0 180.638 2.730 10 30 AFEERN CC[C@@H](C)OC1CCC(=NO)CC1 132529467 343899808 /nfs/dbraw/zinc/89/98/08/343899808.db2.gz PSDIKTFDSHIYFM-HNHGDDPOSA-N 0 0 185.267 2.574 10 30 AFEERN CC[C@H](C)OC1CCC(=NO)CC1 132529653 343900219 /nfs/dbraw/zinc/90/02/19/343900219.db2.gz PSDIKTFDSHIYFM-PEHGTWAWSA-N 0 0 185.267 2.574 10 30 AFEERN C=C(C)CC(=O)c1ccncc1C 132783554 343904243 /nfs/dbraw/zinc/90/42/43/343904243.db2.gz RXYAPMLCSXXIFX-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C=C[C@](C)(O)c1cc(C)cc(C)c1 133403913 343918163 /nfs/dbraw/zinc/91/81/63/343918163.db2.gz OVKVTXWUTAYQPB-LBPRGKRZSA-N 0 0 176.259 2.697 10 30 AFEERN C=C[C@@](C)(O)c1cc(C)cc(C)c1 133403820 343918414 /nfs/dbraw/zinc/91/84/14/343918414.db2.gz OVKVTXWUTAYQPB-GFCCVEGCSA-N 0 0 176.259 2.697 10 30 AFEERN C=CCOc1cc(Cl)ncc1C 133467954 343919377 /nfs/dbraw/zinc/91/93/77/343919377.db2.gz YDKOQPAKRICNMW-UHFFFAOYSA-N 0 0 183.638 2.608 10 30 AFEERN CC#CCC[C@@H]1CCCCC1=O 133666524 343924219 /nfs/dbraw/zinc/92/42/19/343924219.db2.gz IONAZAWYUNKGRJ-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN CC#CCC[C@H]1CCCC(=O)C1 133669615 343924371 /nfs/dbraw/zinc/92/43/71/343924371.db2.gz PMAMAUXOZUXYSD-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN CC#CCC[C@@H]1CCCCCC1=O 133669854 343924377 /nfs/dbraw/zinc/92/43/77/343924377.db2.gz NJLJGRLYKOTMJE-LLVKDONJSA-N 0 0 178.275 2.939 10 30 AFEERN CCC[C@@H](C)Nc1cnccc1C#N 133763388 343926257 /nfs/dbraw/zinc/92/62/57/343926257.db2.gz SQOOGWCFCFXVPK-SECBINFHSA-N 0 0 189.262 2.554 10 30 AFEERN C=C[C@H](C)Nc1cc(C)ccc1N 133985156 343931020 /nfs/dbraw/zinc/93/10/20/343931020.db2.gz NCTPSEIFWHEGBX-VIFPVBQESA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@@H](C)Nc1ccc(N)cc1Cl 133984958 343931183 /nfs/dbraw/zinc/93/11/83/343931183.db2.gz SFTGKJZQMAVJTC-SSDOTTSWSA-N 0 0 196.681 2.909 10 30 AFEERN C=C[C@H](C)Nc1ccc(N)cc1Cl 133984738 343931186 /nfs/dbraw/zinc/93/11/86/343931186.db2.gz SFTGKJZQMAVJTC-ZETCQYMHSA-N 0 0 196.681 2.909 10 30 AFEERN CC[C@H]1CCCCCN1[C@@H](C)C#N 134361253 343941242 /nfs/dbraw/zinc/94/12/42/343941242.db2.gz YXVYWXQRFCCHED-QWRGUYRKSA-N 0 0 180.295 2.553 10 30 AFEERN CC[C@@H]1CCCCCN1[C@@H](C)C#N 134361232 343941456 /nfs/dbraw/zinc/94/14/56/343941456.db2.gz YXVYWXQRFCCHED-WDEREUQCSA-N 0 0 180.295 2.553 10 30 AFEERN C[C@@H](C#N)Oc1ccc(Cl)c(F)c1 134371681 343941912 /nfs/dbraw/zinc/94/19/12/343941912.db2.gz AMKYBXNIWPLOJY-LURJTMIESA-N 0 0 199.612 2.770 10 30 AFEERN CCc1cccnc1C(=O)C=C(C)C 134613333 343947402 /nfs/dbraw/zinc/94/74/02/343947402.db2.gz VYTGFRHTJAHUFF-UHFFFAOYSA-N 0 0 189.258 2.793 10 30 AFEERN C=CC[C@H](C)Nc1ccc(C#N)cc1 134716176 343948401 /nfs/dbraw/zinc/94/84/01/343948401.db2.gz HMXJZEPQYAZYHO-JTQLQIEISA-N 0 0 186.258 2.935 10 30 AFEERN C=CC[C@@H](C)Nc1ccc(C#N)cc1 134716192 343948684 /nfs/dbraw/zinc/94/86/84/343948684.db2.gz HMXJZEPQYAZYHO-SNVBAGLBSA-N 0 0 186.258 2.935 10 30 AFEERN CC[C@H](C#N)N1CC[C@H]2CCCC[C@@H]21 134820962 343949866 /nfs/dbraw/zinc/94/98/66/343949866.db2.gz XXEGDCATJWOPGT-UTUOFQBUSA-N 0 0 192.306 2.553 10 30 AFEERN C#C[C@@H](C)Nc1ccc(Cl)cc1 135065233 343954210 /nfs/dbraw/zinc/95/42/10/343954210.db2.gz JYOVITKLKSYKCP-MRVPVSSYSA-N 0 0 179.650 2.774 10 30 AFEERN C#C[C@@H](C)Nc1ccccc1Cl 135065393 343954288 /nfs/dbraw/zinc/95/42/88/343954288.db2.gz CBERUJCUZUFROI-MRVPVSSYSA-N 0 0 179.650 2.774 10 30 AFEERN C#C[C@H](C)Nc1ccc(Cl)cc1 135065210 343954357 /nfs/dbraw/zinc/95/43/57/343954357.db2.gz JYOVITKLKSYKCP-QMMMGPOBSA-N 0 0 179.650 2.774 10 30 AFEERN C#CC(C)(C)Oc1cccc(Cl)n1 135118916 343955238 /nfs/dbraw/zinc/95/52/38/343955238.db2.gz PRHJKGVZTVRPDE-UHFFFAOYSA-N 0 0 195.649 2.526 10 30 AFEERN C=CCNc1c(C)cccc1F 135093512 343954888 /nfs/dbraw/zinc/95/48/88/343954888.db2.gz GFEHHQRZCGOXJB-UHFFFAOYSA-N 0 0 165.211 2.732 10 30 AFEERN C#CC(C)(C)Oc1ccnc(Cl)c1 135119044 343955413 /nfs/dbraw/zinc/95/54/13/343955413.db2.gz PQELWTAXILUPFB-UHFFFAOYSA-N 0 0 195.649 2.526 10 30 AFEERN C#C[C@H](C)Nc1ccc(C)c(C)c1 135162526 343955587 /nfs/dbraw/zinc/95/55/87/343955587.db2.gz SPBVRLRNRJOTQH-NSHDSACASA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@H](C)Nc1cc(C)cc(C)c1 135163321 343955650 /nfs/dbraw/zinc/95/56/50/343955650.db2.gz XBDIPVOPJAREGY-NSHDSACASA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@H](C)Nc1ccc(SC)cc1 135160648 343955654 /nfs/dbraw/zinc/95/56/54/343955654.db2.gz SRDNEVVLFISQCW-VIFPVBQESA-N 0 0 191.299 2.842 10 30 AFEERN C#C[C@@H](C)Nc1cc(C)cc(C)c1 135163337 343955657 /nfs/dbraw/zinc/95/56/57/343955657.db2.gz XBDIPVOPJAREGY-LLVKDONJSA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@@H](C)Nc1ccc(F)c(F)c1F 135160948 343955659 /nfs/dbraw/zinc/95/56/59/343955659.db2.gz IZGFQWQAKSZEHW-ZCFIWIBFSA-N 0 0 199.175 2.538 10 30 AFEERN C#C[C@@H](C)Nc1cc(F)ccc1C 135163387 343955685 /nfs/dbraw/zinc/95/56/85/343955685.db2.gz YFKHYYSPILIFKD-SECBINFHSA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@@H](C)Nc1ccc(C)c(C)c1 135162544 343955688 /nfs/dbraw/zinc/95/56/88/343955688.db2.gz SPBVRLRNRJOTQH-LLVKDONJSA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@@H](C)Nc1cccc(SC)c1 135159547 343955690 /nfs/dbraw/zinc/95/56/90/343955690.db2.gz IIYOXDBUYJIKAI-SECBINFHSA-N 0 0 191.299 2.842 10 30 AFEERN C#C[C@@H](C)Nc1ccc(SC)cc1 135160669 343955724 /nfs/dbraw/zinc/95/57/24/343955724.db2.gz SRDNEVVLFISQCW-SECBINFHSA-N 0 0 191.299 2.842 10 30 AFEERN C#C[C@H](C)Nc1ccc(C)cc1C 135159022 343955746 /nfs/dbraw/zinc/95/57/46/343955746.db2.gz YDRGRZZYVQDQQQ-NSHDSACASA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@H](C)Nc1ccc(CC)cc1 135163454 343955749 /nfs/dbraw/zinc/95/57/49/343955749.db2.gz WWLOGGGTSKDKCY-JTQLQIEISA-N 0 0 173.259 2.683 10 30 AFEERN C#C[C@@H](C)Nc1ccc(C)cc1C 135159043 343955751 /nfs/dbraw/zinc/95/57/51/343955751.db2.gz YDRGRZZYVQDQQQ-LLVKDONJSA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@H](C)Nc1cc(F)ccc1C 135163366 343955805 /nfs/dbraw/zinc/95/58/05/343955805.db2.gz YFKHYYSPILIFKD-VIFPVBQESA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@H](C)Nc1ccc(F)c(F)c1F 135160928 343955807 /nfs/dbraw/zinc/95/58/07/343955807.db2.gz IZGFQWQAKSZEHW-LURJTMIESA-N 0 0 199.175 2.538 10 30 AFEERN C#C[C@@H](C)Nc1ccc(F)cc1C 135163756 343956135 /nfs/dbraw/zinc/95/61/35/343956135.db2.gz XUNDKCJVRNVHQP-SECBINFHSA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@@H](C)Nc1ccccc1CC 135163569 343956050 /nfs/dbraw/zinc/95/60/50/343956050.db2.gz YOSJYESCQXSPGC-SNVBAGLBSA-N 0 0 173.259 2.683 10 30 AFEERN C#C[C@@H](C)Nc1cc(C)ccc1C 135164164 343956054 /nfs/dbraw/zinc/95/60/54/343956054.db2.gz LKEXGNMDEAIXRU-LLVKDONJSA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@H](C)Nc1ccc(Cl)cc1F 135168238 343956058 /nfs/dbraw/zinc/95/60/58/343956058.db2.gz WNLMJLCYVKNZBQ-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@H](C)Nc1ccc(C)cc1F 135164718 343956082 /nfs/dbraw/zinc/95/60/82/343956082.db2.gz OQKHUEUFUGUHCA-VIFPVBQESA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@H](C)Nc1ccccc1CC 135163547 343956115 /nfs/dbraw/zinc/95/61/15/343956115.db2.gz YOSJYESCQXSPGC-JTQLQIEISA-N 0 0 173.259 2.683 10 30 AFEERN C#C[C@@H](C)Nc1cccc(C)c1C 135164118 343956128 /nfs/dbraw/zinc/95/61/28/343956128.db2.gz CXQCFPCSHQZCEC-SNVBAGLBSA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@H](C)Nc1ccc(F)cc1C 135163735 343956155 /nfs/dbraw/zinc/95/61/55/343956155.db2.gz XUNDKCJVRNVHQP-VIFPVBQESA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@H](C)Nc1cc(Cl)ccc1F 135166090 343956170 /nfs/dbraw/zinc/95/61/70/343956170.db2.gz NXIXVWVRHMGBTQ-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](C)Nc1ccc(Cl)cc1F 135168260 343956173 /nfs/dbraw/zinc/95/61/73/343956173.db2.gz WNLMJLCYVKNZBQ-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@H](C)Nc1ccc(Cl)c(F)c1 135168100 343956187 /nfs/dbraw/zinc/95/61/87/343956187.db2.gz DCTPYCBILAJUAV-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](C)Nc1ccc(C)c(F)c1 135163521 343956196 /nfs/dbraw/zinc/95/61/96/343956196.db2.gz HZKZRIXBWBOXAA-SECBINFHSA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@H](C)Nc1cccc(CC)c1 135163822 343956201 /nfs/dbraw/zinc/95/62/01/343956201.db2.gz XFOZWZMITSRDND-JTQLQIEISA-N 0 0 173.259 2.683 10 30 AFEERN C#C[C@H](C)Nc1cccc(F)c1C 135168466 343956217 /nfs/dbraw/zinc/95/62/17/343956217.db2.gz PGLKKQPZAUYIJS-QMMMGPOBSA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@H](C)Nc1cccc(Cl)c1F 135164942 343956238 /nfs/dbraw/zinc/95/62/38/343956238.db2.gz TUWAGNIAADLDND-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@H](C)Nc1cc(C)ccc1C 135164142 343956242 /nfs/dbraw/zinc/95/62/42/343956242.db2.gz LKEXGNMDEAIXRU-NSHDSACASA-N 0 0 173.259 2.737 10 30 AFEERN C#C[C@H](C)Nc1ccc(F)cc1Cl 135165569 343956249 /nfs/dbraw/zinc/95/62/49/343956249.db2.gz ZASZUXBGXYCLTB-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](C)Nc1ccc(F)cc1Cl 135165592 343956259 /nfs/dbraw/zinc/95/62/59/343956259.db2.gz ZASZUXBGXYCLTB-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](C)Nc1ccc(Cl)c(F)c1 135168122 343956288 /nfs/dbraw/zinc/95/62/88/343956288.db2.gz DCTPYCBILAJUAV-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](C)Nc1cccc(F)c1C 135168483 343956295 /nfs/dbraw/zinc/95/62/95/343956295.db2.gz PGLKKQPZAUYIJS-MRVPVSSYSA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@@H](C)Nc1ccc(C)cc1F 135164736 343956314 /nfs/dbraw/zinc/95/63/14/343956314.db2.gz OQKHUEUFUGUHCA-SECBINFHSA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@@H](C)Nc1cccc(CC)c1 135163841 343956322 /nfs/dbraw/zinc/95/63/22/343956322.db2.gz XFOZWZMITSRDND-SNVBAGLBSA-N 0 0 173.259 2.683 10 30 AFEERN C#C[C@H](C)Nc1cc(C)ccc1F 135164897 343956325 /nfs/dbraw/zinc/95/63/25/343956325.db2.gz VRXPDSGKDSFHAY-VIFPVBQESA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@@H](C)Nc1cccc(Cl)c1F 135164963 343956336 /nfs/dbraw/zinc/95/63/36/343956336.db2.gz TUWAGNIAADLDND-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](C)Nc1cc(Cl)ccc1F 135166110 343956338 /nfs/dbraw/zinc/95/63/38/343956338.db2.gz NXIXVWVRHMGBTQ-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@H](C)Nc1ccc(F)c(Cl)c1 135172861 343956458 /nfs/dbraw/zinc/95/64/58/343956458.db2.gz FFPAYTSGSGJODK-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@H](C)Nc1cc(C)cc(F)c1 135171510 343956472 /nfs/dbraw/zinc/95/64/72/343956472.db2.gz VQLLEMDGQPVPJI-VIFPVBQESA-N 0 0 177.222 2.568 10 30 AFEERN Cc1ccnc(SC(C)C)c1C#N 135179516 343956486 /nfs/dbraw/zinc/95/64/86/343956486.db2.gz YTBZBWFGMFOQDZ-UHFFFAOYSA-N 0 0 192.287 2.762 10 30 AFEERN C#C[C@@H](C)Nc1ccc(F)c(C)c1 135169493 343956510 /nfs/dbraw/zinc/95/65/10/343956510.db2.gz FLYXTWNNMAKLOT-SECBINFHSA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@H](C)Nc1ccc(F)c(C)c1 135169473 343956534 /nfs/dbraw/zinc/95/65/34/343956534.db2.gz FLYXTWNNMAKLOT-VIFPVBQESA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@@H](C)Nc1cc(C)cc(F)c1 135171529 343956560 /nfs/dbraw/zinc/95/65/60/343956560.db2.gz VQLLEMDGQPVPJI-SECBINFHSA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@@H](C)Nc1ccc(F)c(Cl)c1 135172877 343956840 /nfs/dbraw/zinc/95/68/40/343956840.db2.gz FFPAYTSGSGJODK-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN Cc1cccc(F)c1N[C@H](C)CC#N 135238580 343957838 /nfs/dbraw/zinc/95/78/38/343957838.db2.gz WXJMVHYEQHJLLW-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN C[C@H](C#N)Nc1c(F)cccc1Cl 135248727 343957901 /nfs/dbraw/zinc/95/79/01/343957901.db2.gz LOKMLWXBFZHMDH-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN CC[C@H](C#N)Oc1ccc(F)c(C)c1 135347382 343959692 /nfs/dbraw/zinc/95/96/92/343959692.db2.gz SJSDCDMNCMQDFX-SECBINFHSA-N 0 0 193.221 2.815 10 30 AFEERN CC[C@@H](C#N)Oc1ccc(F)c(C)c1 135347363 343959779 /nfs/dbraw/zinc/95/97/79/343959779.db2.gz SJSDCDMNCMQDFX-VIFPVBQESA-N 0 0 193.221 2.815 10 30 AFEERN CC(C)=CC(=O)c1cc(F)ccc1N 135359325 343960153 /nfs/dbraw/zinc/96/01/53/343960153.db2.gz TUEKWYJXALRRAO-UHFFFAOYSA-N 0 0 193.221 2.557 10 30 AFEERN CC[C@H]1CCC/C1=C\C(C)=O 135373914 343960626 /nfs/dbraw/zinc/96/06/26/343960626.db2.gz AEGAMMJHJPEPJL-HZAKCSEPSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@@H]1CCC/C1=C\C(C)=O 135373897 343960670 /nfs/dbraw/zinc/96/06/70/343960670.db2.gz AEGAMMJHJPEPJL-YIXGCBLDSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C=C(/C)CC1CCC1 135378568 343960843 /nfs/dbraw/zinc/96/08/43/343960843.db2.gz UYCXLSLOGXMVCE-VURMDHGXSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)Cn1cc2c(c1)C(=O)CCC2 135393476 343961292 /nfs/dbraw/zinc/96/12/92/343961292.db2.gz ZODTYRKXHVZENF-UHFFFAOYSA-N 0 0 189.258 2.583 10 30 AFEERN C=C(C)C(=O)c1ccc(N)c(Cl)c1 135420148 343962483 /nfs/dbraw/zinc/96/24/83/343962483.db2.gz AYKLNFABAPXISY-UHFFFAOYSA-N 0 0 195.649 2.681 10 30 AFEERN CC(C)=CC(=O)c1cccc(N)c1C 135431880 343962888 /nfs/dbraw/zinc/96/28/88/343962888.db2.gz IPQZAHUGITXIHI-UHFFFAOYSA-N 0 0 189.258 2.726 10 30 AFEERN CC(C)=CC(=O)c1cccc(F)c1N 135429204 343962934 /nfs/dbraw/zinc/96/29/34/343962934.db2.gz CLIVQIRCWGMFCE-UHFFFAOYSA-N 0 0 193.221 2.557 10 30 AFEERN C=C(C)C(=O)c1cc(N)cc(Cl)c1 135429050 343962981 /nfs/dbraw/zinc/96/29/81/343962981.db2.gz UZDJXFWKPRGEBE-UHFFFAOYSA-N 0 0 195.649 2.681 10 30 AFEERN Cc1cc(NC2(C)CC2)ccc1C#N 135572967 343965408 /nfs/dbraw/zinc/96/54/08/343965408.db2.gz VWAYUIFLSWUYAZ-UHFFFAOYSA-N 0 0 186.258 2.831 10 30 AFEERN CC1(Nc2ccccc2C#N)CC1 135572583 343965410 /nfs/dbraw/zinc/96/54/10/343965410.db2.gz SRKTWOWZGADSNN-UHFFFAOYSA-N 0 0 172.231 2.523 10 30 AFEERN C=C[C@H](C)Nc1ccc(C#N)c(C)c1 135557198 343965503 /nfs/dbraw/zinc/96/55/03/343965503.db2.gz HBYKFFLQONUSDV-JTQLQIEISA-N 0 0 186.258 2.853 10 30 AFEERN CC1(Nc2ccc(C#N)cc2)CC1 135572382 343965511 /nfs/dbraw/zinc/96/55/11/343965511.db2.gz OJMKDMHRYSPNEI-UHFFFAOYSA-N 0 0 172.231 2.523 10 30 AFEERN CC[C@@H]1CCc2sc(N)c(C#N)c21 135567601 343965519 /nfs/dbraw/zinc/96/55/19/343965519.db2.gz HEAUUGJQYKOOEE-ZCFIWIBFSA-N 0 0 192.287 2.642 10 30 AFEERN CC[C@H]1CCc2sc(N)c(C#N)c21 135567618 343965533 /nfs/dbraw/zinc/96/55/33/343965533.db2.gz HEAUUGJQYKOOEE-LURJTMIESA-N 0 0 192.287 2.642 10 30 AFEERN C/C=C/C(=O)SC(C)(C)C 135695098 343966518 /nfs/dbraw/zinc/96/65/18/343966518.db2.gz FUCHQRWHHKFAHY-AATRIKPKSA-N 0 0 158.266 2.621 10 30 AFEERN CC(C)(C#N)c1ncccc1Cl 135733633 343966880 /nfs/dbraw/zinc/96/68/80/343966880.db2.gz ORKLWVONXIMCQX-UHFFFAOYSA-N 0 0 180.638 2.536 10 30 AFEERN C=C(C)[C@H](C)C(=O)c1ccco1 135760626 343967383 /nfs/dbraw/zinc/96/73/83/343967383.db2.gz WGNCXGIIBJVYLT-QMMMGPOBSA-N 0 0 164.204 2.675 10 30 AFEERN CC(C)CSc1cnccc1C#N 135771911 343967429 /nfs/dbraw/zinc/96/74/29/343967429.db2.gz KAIJFVXZRCKQBP-UHFFFAOYSA-N 0 0 192.287 2.701 10 30 AFEERN CC[C@@H](C)Sc1cnccc1C#N 135771573 343967454 /nfs/dbraw/zinc/96/74/54/343967454.db2.gz AJPYWNOIYBAVRF-MRVPVSSYSA-N 0 0 192.287 2.844 10 30 AFEERN CC[C@H](C)Sc1cnccc1C#N 135771613 343967617 /nfs/dbraw/zinc/96/76/17/343967617.db2.gz AJPYWNOIYBAVRF-QMMMGPOBSA-N 0 0 192.287 2.844 10 30 AFEERN C=C(C)[C@@H](C)C(=O)c1ccco1 135760655 343967632 /nfs/dbraw/zinc/96/76/32/343967632.db2.gz WGNCXGIIBJVYLT-MRVPVSSYSA-N 0 0 164.204 2.675 10 30 AFEERN CS/C=C/C(=O)c1ccccc1 135889286 343970227 /nfs/dbraw/zinc/97/02/27/343970227.db2.gz QWBAQSSFENOOBQ-BQYQJAHWSA-N 0 0 178.256 2.746 10 30 AFEERN N#Cc1ccc2c3ccccc3ccn12 135930668 343972127 /nfs/dbraw/zinc/97/21/27/343972127.db2.gz KGBPYGZYKFDCCL-UHFFFAOYSA-N 0 0 192.221 2.964 10 30 AFEERN C/C=C/C#Cc1ccccc1 136012373 343973572 /nfs/dbraw/zinc/97/35/72/343973572.db2.gz QVQOBKYOTOJCOZ-NSCUHMNNSA-N 0 0 142.201 2.614 10 30 AFEERN C#C[C@H](CC=C)c1ccccc1 136056110 343974109 /nfs/dbraw/zinc/97/41/09/343974109.db2.gz ARAHABXZPMNQDG-LLVKDONJSA-N 0 0 156.228 2.980 10 30 AFEERN C=C[C@@H](OC(C)=O)c1cccs1 136158673 343975905 /nfs/dbraw/zinc/97/59/05/343975905.db2.gz TVPAGOAMCMWSCD-MRVPVSSYSA-N 0 0 182.244 2.538 10 30 AFEERN Cl/C=C/C#Cc1ccccc1 136262241 343978718 /nfs/dbraw/zinc/97/87/18/343978718.db2.gz JDSKJYPUGMIYIU-WEVVVXLNSA-N 0 0 162.619 2.791 10 30 AFEERN O=C1CCCC=C1c1ccsc1 136362393 343980218 /nfs/dbraw/zinc/98/02/18/343980218.db2.gz ABCPHJMXQVJQSH-UHFFFAOYSA-N 0 0 178.256 2.885 10 30 AFEERN C=Cc1ccnc2ccc(C#N)cc12 136351979 343980270 /nfs/dbraw/zinc/98/02/70/343980270.db2.gz GJXKAWCHHBZQIU-UHFFFAOYSA-N 0 0 180.210 2.749 10 30 AFEERN O/N=C(\Cl)C1CCCCC1 136476256 343980882 /nfs/dbraw/zinc/98/08/82/343980882.db2.gz NNKVOGOHPCCQAQ-CLFYSBASSA-N 0 0 161.632 2.593 10 30 AFEERN C=CC/C(Cl)=C/Cl 136510678 343980993 /nfs/dbraw/zinc/98/09/93/343980993.db2.gz ZPFIKYJCIMWUCX-PLNGDYQASA-N 0 0 137.009 2.882 10 30 AFEERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1C=O 136446164 343981104 /nfs/dbraw/zinc/98/11/04/343981104.db2.gz HZLIGOCFHWFFPX-IQJOONFLSA-N 0 0 166.264 2.648 10 30 AFEERN C=C1CCCC[C@@H]1CC(=O)OCC 136481078 343981183 /nfs/dbraw/zinc/98/11/83/343981183.db2.gz RHOOZRFFRFNOEM-SNVBAGLBSA-N 0 0 182.263 2.686 10 30 AFEERN C=C1CCCC[C@H]1CC(=O)OCC 136481044 343981192 /nfs/dbraw/zinc/98/11/92/343981192.db2.gz RHOOZRFFRFNOEM-JTQLQIEISA-N 0 0 182.263 2.686 10 30 AFEERN O=C1CCCC=C1c1cccs1 136659655 343981414 /nfs/dbraw/zinc/98/14/14/343981414.db2.gz UQMIJOXJSWJIHQ-UHFFFAOYSA-N 0 0 178.256 2.885 10 30 AFEERN Cc1cc(NCC(F)F)ccc1C#N 136600362 343981545 /nfs/dbraw/zinc/98/15/45/343981545.db2.gz OUPNGXXDPODWRC-UHFFFAOYSA-N 0 0 196.200 2.544 10 30 AFEERN C=CCC(CC)(CC)C(=O)OCC 136655875 343981597 /nfs/dbraw/zinc/98/15/97/343981597.db2.gz KUZOXZACVOVOTD-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C=CC/[NH+]=C(\C)c1ccc(OC)cc1 136705745 343981790 /nfs/dbraw/zinc/98/17/90/343981790.db2.gz LCGMHLCXHJFQAT-JLHYYAGUSA-N 0 0 189.258 2.690 10 30 AFEERN Cl/C=C\C#Cc1ccccc1 136857834 343982288 /nfs/dbraw/zinc/98/22/88/343982288.db2.gz JDSKJYPUGMIYIU-UITAMQMPSA-N 0 0 162.619 2.791 10 30 AFEERN O=CCCCOc1ccc(Cl)cc1 136957015 343982672 /nfs/dbraw/zinc/98/26/72/343982672.db2.gz FYSFGMQJPVJPHY-UHFFFAOYSA-N 0 0 198.649 2.698 10 30 AFEERN CCCCCCCC#C[C@H](C)O 136942938 343982858 /nfs/dbraw/zinc/98/28/58/343982858.db2.gz FIZJSLMCPXWLQG-NSHDSACASA-N 0 0 168.280 2.731 10 30 AFEERN C=C=CC(=O)CCCCCCC 136944208 343982889 /nfs/dbraw/zinc/98/28/89/343982889.db2.gz LUQIDGFLCQNYBC-UHFFFAOYSA-N 0 0 166.264 2.939 10 30 AFEERN C=C[C@@H]1OC(=O)O[C@H]1CCCCC 136959991 343982897 /nfs/dbraw/zinc/98/28/97/343982897.db2.gz NUQUFSQKUQPLLG-IUCAKERBSA-N 0 0 184.235 2.657 10 30 AFEERN C[C@@H]1CC/C(=N\O)c2ccccc21 136927223 343982964 /nfs/dbraw/zinc/98/29/64/343982964.db2.gz VTXPMOXBXCAZHL-MDBUJETNSA-N 0 0 175.231 2.762 10 30 AFEERN C[C@H]1CC/C(=N\O)c2ccccc21 136927270 343982986 /nfs/dbraw/zinc/98/29/86/343982986.db2.gz VTXPMOXBXCAZHL-BVKVCPRXSA-N 0 0 175.231 2.762 10 30 AFEERN C=CCCC#CCCC=C 137030858 343983290 /nfs/dbraw/zinc/98/32/90/343983290.db2.gz RCTBSNOGDCORSP-UHFFFAOYSA-N 0 0 134.222 2.922 10 30 AFEERN [N-]=[N+]=Nc1ncc2ccccc2n1 136990843 343983291 /nfs/dbraw/zinc/98/32/91/343983291.db2.gz JTDSEMZTDGHRGJ-UHFFFAOYSA-N 0 0 171.163 2.572 10 30 AFEERN C=C(C)C[C@](C)(O)c1ccccc1 137064965 343983773 /nfs/dbraw/zinc/98/37/73/343983773.db2.gz VJGFUNQPXOVPMS-LBPRGKRZSA-N 0 0 176.259 2.860 10 30 AFEERN C=C(C)C(=O)C1=CCCCC1 137210754 343984074 /nfs/dbraw/zinc/98/40/74/343984074.db2.gz OXDPWVZSVXPOIM-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C/C=C/C(=O)C1CCCCC1 137178701 343984112 /nfs/dbraw/zinc/98/41/12/343984112.db2.gz ALDHJXOGPRINCX-QHHAFSJGSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC(=O)[C@H]1CCCc2sccc21 137157208 343984123 /nfs/dbraw/zinc/98/41/23/343984123.db2.gz DXFLWISUMNSMCI-QMMMGPOBSA-N 0 0 192.283 2.923 10 30 AFEERN O=C1CCCC2=C1Cc1ccccc12 137160707 343984177 /nfs/dbraw/zinc/98/41/77/343984177.db2.gz BYFOPLGTVIBWCM-UHFFFAOYSA-N 0 0 184.238 2.749 10 30 AFEERN C=CC(=O)[C@@H]1CCCc2sccc21 137157169 343984192 /nfs/dbraw/zinc/98/41/92/343984192.db2.gz DXFLWISUMNSMCI-MRVPVSSYSA-N 0 0 192.283 2.923 10 30 AFEERN C=C(C)[C@@H]1CC=C(C)CC(=O)C1 137241954 343984227 /nfs/dbraw/zinc/98/42/27/343984227.db2.gz JKEINBCAXMJXMS-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@H](C)OCc1ccccc1 137310170 343984651 /nfs/dbraw/zinc/98/46/51/343984651.db2.gz REMWNMSFHRBOIU-JTQLQIEISA-N 0 0 162.232 2.778 10 30 AFEERN O/N=C(\Cl)CCc1ccccc1 137331691 343984700 /nfs/dbraw/zinc/98/47/00/343984700.db2.gz ZMGCIMRAOFROLM-LUAWRHEFSA-N 0 0 183.638 2.646 10 30 AFEERN C/C(=N\C(C)(C)C)[C@H](C)Cl 137466028 343985853 /nfs/dbraw/zinc/98/58/53/343985853.db2.gz DXWKOZITUNKANS-AJNUETJASA-N 0 0 161.676 2.873 10 30 AFEERN C=C[C@](C)(O)C1CCCCC1 137452392 343985980 /nfs/dbraw/zinc/98/59/80/343985980.db2.gz WAJABEZAZNBIGG-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@@H](CC(=O)OC)c1ccccc1 137481543 343986043 /nfs/dbraw/zinc/98/60/43/343986043.db2.gz IFSXZCHDQCEJHG-JTQLQIEISA-N 0 0 190.242 2.519 10 30 AFEERN C=C[C@@](C)(O)C1CCCCC1 137452346 343986052 /nfs/dbraw/zinc/98/60/52/343986052.db2.gz WAJABEZAZNBIGG-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C/C=C\C#CCCCC 137652854 343986275 /nfs/dbraw/zinc/98/62/75/343986275.db2.gz VSLJPTWFNWRVBG-HYXAFXHYSA-N 0 0 122.211 2.756 10 30 AFEERN CCCCCC/C=C(\C)CO 137635042 343986401 /nfs/dbraw/zinc/98/64/01/343986401.db2.gz QQYNAKSGWRFPOD-CSKARUKUSA-N 0 0 156.269 2.895 10 30 AFEERN CC#Cc1ccc2ccccc2n1 137823556 343986697 /nfs/dbraw/zinc/98/66/97/343986697.db2.gz GBDRZSPKZQHIHI-UHFFFAOYSA-N 0 0 167.211 2.606 10 30 AFEERN COc1ccc(/C=C(\F)C(C)=O)cc1 137717224 343986904 /nfs/dbraw/zinc/98/69/04/343986904.db2.gz LFPMTOSBGDNGOI-XFFZJAGNSA-N 0 0 194.205 2.595 10 30 AFEERN C=CCC(=C=C(C)C)C(=O)OCC 137848929 343987218 /nfs/dbraw/zinc/98/72/18/343987218.db2.gz YOFSTLQBEDZTTB-UHFFFAOYSA-N 0 0 180.247 2.617 10 30 AFEERN CC(=O)/N=C/C1CCCCCCC1 137931251 343987416 /nfs/dbraw/zinc/98/74/16/343987416.db2.gz UVQSLOGBLLOZRB-FMIVXFBMSA-N 0 0 181.279 2.964 10 30 AFEERN c1ccc2c(c1)CC[C@@H](C[C@@H]1CO1)C2 138024948 343987533 /nfs/dbraw/zinc/98/75/33/343987533.db2.gz KHZKGJKAFHCISB-ZWNOBZJWSA-N 0 0 188.270 2.580 10 30 AFEERN C#CCCC[C@H]1CCCC(=O)C1 137993853 343987656 /nfs/dbraw/zinc/98/76/56/343987656.db2.gz VYWWFVDHSHCSAL-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN C#CCCC[C@@H]1CCCC(=O)C1 137993762 343987659 /nfs/dbraw/zinc/98/76/59/343987659.db2.gz VYWWFVDHSHCSAL-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN c1ccc2c(c1)CC[C@H](C[C@@H]1CO1)C2 138024851 343987747 /nfs/dbraw/zinc/98/77/47/343987747.db2.gz KHZKGJKAFHCISB-GXFFZTMASA-N 0 0 188.270 2.580 10 30 AFEERN c1ccc2c(c1)CC[C@@H](C[C@H]1CO1)C2 138025137 343987773 /nfs/dbraw/zinc/98/77/73/343987773.db2.gz KHZKGJKAFHCISB-MFKMUULPSA-N 0 0 188.270 2.580 10 30 AFEERN c1ccc2c(c1)CC[C@H](C[C@H]1CO1)C2 138025063 343987867 /nfs/dbraw/zinc/98/78/67/343987867.db2.gz KHZKGJKAFHCISB-GWCFXTLKSA-N 0 0 188.270 2.580 10 30 AFEERN O=CCC(=O)c1cccc(Cl)c1 138044526 343987978 /nfs/dbraw/zinc/98/79/78/343987978.db2.gz ADEJHMDMELDWDZ-PLNGDYQASA-N 0 0 182.606 2.594 10 30 AFEERN C=CCC1=CC(=O)CCCC1 138167028 343988362 /nfs/dbraw/zinc/98/83/62/343988362.db2.gz HSBGSZUTLREINR-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=CCCOc1ccc(C)cc1OC 138599979 343989230 /nfs/dbraw/zinc/98/92/30/343989230.db2.gz AYKMCYIHGYKBOJ-UHFFFAOYSA-N 0 0 192.258 2.959 10 30 AFEERN C[C@@H]1CCCCC[C@@H]1S 138537829 343989233 /nfs/dbraw/zinc/98/92/33/343989233.db2.gz YHUXNRHNZZFCIP-SFYZADRCSA-N 0 0 144.283 2.885 10 30 AFEERN C[C@H]1CCCCC[C@@H]1S 138537960 343989375 /nfs/dbraw/zinc/98/93/75/343989375.db2.gz YHUXNRHNZZFCIP-YUMQZZPRSA-N 0 0 144.283 2.885 10 30 AFEERN C[C@@H]1CCCCC[C@H]1S 138538076 343989443 /nfs/dbraw/zinc/98/94/43/343989443.db2.gz YHUXNRHNZZFCIP-HTQZYQBOSA-N 0 0 144.283 2.885 10 30 AFEERN C[C@H]1CCCCC[C@H]1S 138538163 343989478 /nfs/dbraw/zinc/98/94/78/343989478.db2.gz YHUXNRHNZZFCIP-JGVFFNPUSA-N 0 0 144.283 2.885 10 30 AFEERN CCCCCC(=O)/C=C/Cl 138785298 343990627 /nfs/dbraw/zinc/99/06/27/343990627.db2.gz YLTBAANDCZGTCR-VOTSOKGWSA-N 0 0 160.644 2.888 10 30 AFEERN CCCC[C@H]1C=CC(=O)C=CC1 138862317 343991021 /nfs/dbraw/zinc/99/10/21/343991021.db2.gz MNURSSRQBKQLKF-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C=CCc1cc2cc(OC)ccc2[nH]1 138998450 343992279 /nfs/dbraw/zinc/99/22/79/343992279.db2.gz VNESCIKAFIAJAJ-UHFFFAOYSA-N 0 0 187.242 2.905 10 30 AFEERN CNc1ccccc1/C=C/CC#N 139093310 343993173 /nfs/dbraw/zinc/99/31/73/343993173.db2.gz JKDNZYNEGHRHQP-QPJJXVBHSA-N 0 0 172.231 2.655 10 30 AFEERN SC1(S)CCCCCC1 139280176 343993793 /nfs/dbraw/zinc/99/37/93/343993793.db2.gz VPLVMGPXDIWPOT-UHFFFAOYSA-N 0 0 162.323 2.897 10 30 AFEERN N#Cc1cccc([C@H]2C=CC(=O)CC2)c1 139547101 343995411 /nfs/dbraw/zinc/99/54/11/343995411.db2.gz SQNNAHURRDJHSA-NSHDSACASA-N 0 0 197.237 2.561 10 30 AFEERN CCc1cc(C)c(C)cc1C#N 139720113 343996251 /nfs/dbraw/zinc/99/62/51/343996251.db2.gz DIYUIGZPOVDFSF-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN COc1cccc(C#C/C=C/Cl)c1 139726743 343996396 /nfs/dbraw/zinc/99/63/96/343996396.db2.gz MIJWDYWWBVNITJ-FPYGCLRLSA-N 0 0 192.645 2.799 10 30 AFEERN Cc1ccncc1-c1cccc(C#N)c1 139872071 343996648 /nfs/dbraw/zinc/99/66/48/343996648.db2.gz AHEVTHNZDVVQBC-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN C=C[C@H](C)CCC[C@H](C)CO 139942818 343996976 /nfs/dbraw/zinc/99/69/76/343996976.db2.gz JHKNBWMXFBYOJB-UWVGGRQHSA-N 0 0 156.269 2.607 10 30 AFEERN CCCCCCCC#C[C@@H](C)O 139948654 343997322 /nfs/dbraw/zinc/99/73/22/343997322.db2.gz FIZJSLMCPXWLQG-LLVKDONJSA-N 0 0 168.280 2.731 10 30 AFEERN C=CC(=O)/C=C(\C)c1ccccc1 140048071 343997762 /nfs/dbraw/zinc/99/77/62/343997762.db2.gz SHFGZMUIAYLFCX-MDZDMXLPSA-N 0 0 172.227 2.845 10 30 AFEERN Cc1ccc([C@@H]2CO2)c(Cl)c1 140053747 343997912 /nfs/dbraw/zinc/99/79/12/343997912.db2.gz LZRZXJCKJNDERK-VIFPVBQESA-N 0 0 168.623 2.720 10 30 AFEERN Cc1ccc([C@H]2CO2)c(Cl)c1 140053880 343997943 /nfs/dbraw/zinc/99/79/43/343997943.db2.gz LZRZXJCKJNDERK-SECBINFHSA-N 0 0 168.623 2.720 10 30 AFEERN C#CC/C=C/c1ccccc1 140066911 343998013 /nfs/dbraw/zinc/99/80/13/343998013.db2.gz PWLGUSZNGUQWLW-VMPITWQZSA-N 0 0 142.201 2.723 10 30 AFEERN C=C/C=C/CCCCCC=O 140182822 343998273 /nfs/dbraw/zinc/99/82/73/343998273.db2.gz UNBLTBJLUIYXKO-ONEGZZNKSA-N 0 0 152.237 2.878 10 30 AFEERN C#CC=C=C1CCCCC1 140131262 343998554 /nfs/dbraw/zinc/99/85/54/343998554.db2.gz RFSWIORAMKIHKI-UHFFFAOYSA-N 0 0 132.206 2.665 10 30 AFEERN C#CCCCc1cccc(OC)c1 140196022 343998977 /nfs/dbraw/zinc/99/89/77/343998977.db2.gz HXSKLVCSGXPOLS-UHFFFAOYSA-N 0 0 174.243 2.651 10 30 AFEERN C#C[C@]1(C)CCCN1c1ccccc1 140483659 344000695 /nfs/dbraw/zinc/00/06/95/344000695.db2.gz NPJZBCVOWDMJBP-CYBMUJFWSA-N 0 0 185.270 2.679 10 30 AFEERN CC(=O)/C=C(/C)c1ccccc1C 140653856 344001248 /nfs/dbraw/zinc/00/12/48/344001248.db2.gz TYJNIJPRMMVFHU-NTMALXAHSA-N 0 0 174.243 2.987 10 30 AFEERN CC[C@H](CC=O)C(C)(C)C 140770918 344001557 /nfs/dbraw/zinc/00/15/57/344001557.db2.gz YRMBTGYCESXOES-MRVPVSSYSA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@@H](CC=O)C(C)(C)C 140770758 344001655 /nfs/dbraw/zinc/00/16/55/344001655.db2.gz YRMBTGYCESXOES-QMMMGPOBSA-N 0 0 142.242 2.648 10 30 AFEERN O=C1C=CC/C1=C\c1ccccc1 140855580 344002035 /nfs/dbraw/zinc/00/20/35/344002035.db2.gz XJNABKYFQUIPIV-PKNBQFBNSA-N 0 0 170.211 2.599 10 30 AFEERN CC(F)=CC(=O)c1ccccc1 140946511 344002565 /nfs/dbraw/zinc/00/25/65/344002565.db2.gz AFNRWGZBZKNNAY-FPLPWBNLSA-N 0 0 164.179 2.743 10 30 AFEERN C=C(CCCO)c1ccc(F)cc1 140901459 344002582 /nfs/dbraw/zinc/00/25/82/344002582.db2.gz HCAVNEYUNXBVRK-UHFFFAOYSA-N 0 0 180.222 2.611 10 30 AFEERN CC=CC(=O)Cc1ccc(C)cc1 140962378 344003043 /nfs/dbraw/zinc/00/30/43/344003043.db2.gz UUFHWRTVYCYLQS-ONEGZZNKSA-N 0 0 174.243 2.683 10 30 AFEERN FC(F)(CS)c1ccccc1 141109530 344003415 /nfs/dbraw/zinc/00/34/15/344003415.db2.gz AIEXXBXDADNWLR-UHFFFAOYSA-N 0 0 174.215 2.708 10 30 AFEERN CC(C)(C#N)CCc1ccncc1 141085773 344003432 /nfs/dbraw/zinc/00/34/32/344003432.db2.gz CSVILCZVBOAYTM-UHFFFAOYSA-N 0 0 174.247 2.564 10 30 AFEERN C[C@](Cl)(C#N)Cc1ccccc1F 141341525 344005274 /nfs/dbraw/zinc/00/52/74/344005274.db2.gz QGTZIMJEMDAUMJ-SNVBAGLBSA-N 0 0 197.640 2.889 10 30 AFEERN C[C@@](Cl)(C#N)Cc1ccccc1F 141341713 344005483 /nfs/dbraw/zinc/00/54/83/344005483.db2.gz QGTZIMJEMDAUMJ-JTQLQIEISA-N 0 0 197.640 2.889 10 30 AFEERN N#Cc1ccccc1-c1ccc[nH]1 141471094 344006288 /nfs/dbraw/zinc/00/62/88/344006288.db2.gz VTLTXZKFOFYGBC-UHFFFAOYSA-N 0 0 168.199 2.553 10 30 AFEERN Fc1ccc(CS)c(F)c1F 141493330 344006410 /nfs/dbraw/zinc/00/64/10/344006410.db2.gz BLTCJXMLDOKBSA-UHFFFAOYSA-N 0 0 178.178 2.534 10 30 AFEERN CSC(SC)=C1CCCC1=O 141587191 344006771 /nfs/dbraw/zinc/00/67/71/344006771.db2.gz DXSAIEPLUJQFEQ-UHFFFAOYSA-N 0 0 188.317 2.677 10 30 AFEERN CC[C@H]1CCCC2=CC(=O)C[C@@H]21 141672058 344007328 /nfs/dbraw/zinc/00/73/28/344007328.db2.gz BBBTWWJMNGHJRM-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@@]1(C=O)CCc2ccccc21 141728319 344007679 /nfs/dbraw/zinc/00/76/79/344007679.db2.gz AYRVROJKBGTXHU-ZDUSSCGKSA-N 0 0 186.254 2.646 10 30 AFEERN COc1ccccc1/C=N/C(C)(C)C 141750871 344007689 /nfs/dbraw/zinc/00/76/89/344007689.db2.gz NFSJHPSQXQVYCF-UKTHLTGXSA-N 0 0 191.274 2.913 10 30 AFEERN C[C@](Cl)(C#N)Cc1ccc(F)cc1 141747590 344007795 /nfs/dbraw/zinc/00/77/95/344007795.db2.gz QNDSZFCDSAOZDJ-SNVBAGLBSA-N 0 0 197.640 2.889 10 30 AFEERN C=CC[C@]1(C=O)CCc2ccccc21 141728139 344007848 /nfs/dbraw/zinc/00/78/48/344007848.db2.gz AYRVROJKBGTXHU-CYBMUJFWSA-N 0 0 186.254 2.646 10 30 AFEERN COc1cccc(/C=C(\C)C(C)=O)c1 141747113 344007881 /nfs/dbraw/zinc/00/78/81/344007881.db2.gz GOBMAUPLYLVBSP-VQHVLOKHSA-N 0 0 190.242 2.688 10 30 AFEERN C[C@@](Cl)(C#N)Cc1ccc(F)cc1 141747778 344007981 /nfs/dbraw/zinc/00/79/81/344007981.db2.gz QNDSZFCDSAOZDJ-JTQLQIEISA-N 0 0 197.640 2.889 10 30 AFEERN C=C(C)C(=O)Oc1cc(C)ccc1C 141801334 344008371 /nfs/dbraw/zinc/00/83/71/344008371.db2.gz DRUJNEBAVKDCJJ-UHFFFAOYSA-N 0 0 190.242 2.785 10 30 AFEERN C=C(c1ccc(N)cc1)C(F)(F)F 141838936 344008374 /nfs/dbraw/zinc/00/83/74/344008374.db2.gz GVACGYFSBJBPBK-UHFFFAOYSA-N 0 0 187.164 2.844 10 30 AFEERN CC(=O)/C=C/c1cc(C)ccc1F 141920784 344008628 /nfs/dbraw/zinc/00/86/28/344008628.db2.gz IJVCHVWZTZYZGU-SNAWJCMRSA-N 0 0 178.206 2.736 10 30 AFEERN CC(=O)/C=C(/C)c1ccc(F)cc1 141847434 344008893 /nfs/dbraw/zinc/00/88/93/344008893.db2.gz OITUOWQCSZHCJV-FPLPWBNLSA-N 0 0 178.206 2.818 10 30 AFEERN COc1cc(CC#N)c2ccccc2c1 142007461 344009076 /nfs/dbraw/zinc/00/90/76/344009076.db2.gz VFGLFCQLSQFZOF-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN CCC(C#N)(CC)c1cccc(N)c1 142042152 344009713 /nfs/dbraw/zinc/00/97/13/344009713.db2.gz ZTLKLFXANHREOH-UHFFFAOYSA-N 0 0 188.274 2.850 10 30 AFEERN CC1(C)[C@H](C=O)[C@H]1c1ccccc1 142056873 344009766 /nfs/dbraw/zinc/00/97/66/344009766.db2.gz OINGCCQKBAJZBU-GHMZBOCLSA-N 0 0 174.243 2.625 10 30 AFEERN CC1(C)[C@@H](c2ccccc2)[C@H]1C=O 142056451 344009926 /nfs/dbraw/zinc/00/99/26/344009926.db2.gz OINGCCQKBAJZBU-MNOVXSKESA-N 0 0 174.243 2.625 10 30 AFEERN CC1(C)[C@@H](C=O)[C@H]1c1ccccc1 142056634 344009837 /nfs/dbraw/zinc/00/98/37/344009837.db2.gz OINGCCQKBAJZBU-WDEREUQCSA-N 0 0 174.243 2.625 10 30 AFEERN CC1(C)[C@@H](C=O)[C@@H]1c1ccccc1 142056260 344009853 /nfs/dbraw/zinc/00/98/53/344009853.db2.gz OINGCCQKBAJZBU-QWRGUYRKSA-N 0 0 174.243 2.625 10 30 AFEERN CC(=O)/C(C)=C/CC(C)C 142075177 344009928 /nfs/dbraw/zinc/00/99/28/344009928.db2.gz SEWIYDKGNVLHPH-SOFGYWHQSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCCCC1=CCCO1 142300203 344011443 /nfs/dbraw/zinc/01/14/43/344011443.db2.gz PUYSXOQHOUEGPE-UHFFFAOYSA-N 0 0 138.210 2.647 10 30 AFEERN N#CCC1(c2ccccn2)CCCC1 142262336 344011542 /nfs/dbraw/zinc/01/15/42/344011542.db2.gz YLEJUHFERCEUEL-UHFFFAOYSA-N 0 0 186.258 2.807 10 30 AFEERN C=CC(=O)c1ccccc1SC 142337050 344011777 /nfs/dbraw/zinc/01/17/77/344011777.db2.gz XMZISRCNNMDONI-UHFFFAOYSA-N 0 0 178.256 2.777 10 30 AFEERN C#Cc1ccc(Oc2ccccc2)nc1 142332266 344011908 /nfs/dbraw/zinc/01/19/08/344011908.db2.gz BZKCBQXDQXYVTE-UHFFFAOYSA-N 0 0 195.221 2.855 10 30 AFEERN C=CCC[C@@H](C)C[C@@H](O)CC 142314125 344011919 /nfs/dbraw/zinc/01/19/19/344011919.db2.gz KBUOCIXRGYZBSJ-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC[C@H](C)C[C@@H](O)CC 142313723 344011974 /nfs/dbraw/zinc/01/19/74/344011974.db2.gz KBUOCIXRGYZBSJ-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN N#Cc1ccc(C2CCC2)cc1 142468752 344012312 /nfs/dbraw/zinc/01/23/12/344012312.db2.gz KLJSCSFXQUQSFT-UHFFFAOYSA-N 0 0 157.216 2.826 10 30 AFEERN N#Cc1cccc2[nH]c(C3CC3)cc12 142431565 344012314 /nfs/dbraw/zinc/01/23/14/344012314.db2.gz FXCXRIKNIFNOER-UHFFFAOYSA-N 0 0 182.226 2.917 10 30 AFEERN C=CCc1c(OC)ccc2ncccc12 142418834 344012407 /nfs/dbraw/zinc/01/24/07/344012407.db2.gz BSAPXLDXPKEIIM-UHFFFAOYSA-N 0 0 199.253 2.972 10 30 AFEERN C=CC(=O)c1ccc(C=C)cc1 142687953 344013889 /nfs/dbraw/zinc/01/38/89/344013889.db2.gz DFFSMKAALYDNCS-UHFFFAOYSA-N 0 0 158.200 2.698 10 30 AFEERN C=CCOc1cc(C)cc(OC)c1 142675225 344014008 /nfs/dbraw/zinc/01/40/08/344014008.db2.gz WYJNGSVHDIDVFY-UHFFFAOYSA-N 0 0 178.231 2.568 10 30 AFEERN CCc1cc(-c2cccc(C#N)c2)n[nH]1 142971247 344016199 /nfs/dbraw/zinc/01/61/99/344016199.db2.gz DJJOCHSIKWEPQC-UHFFFAOYSA-N 0 0 197.241 2.511 10 30 AFEERN C/C(=N\O)[C@@H](C)c1ccccc1 143099617 344016586 /nfs/dbraw/zinc/01/65/86/344016586.db2.gz KPDVLXUTABDCAH-ITCPUHJZSA-N 0 0 163.220 2.640 10 30 AFEERN C/C=C/C(=O)C1CCC(C)CC1 143042946 344016614 /nfs/dbraw/zinc/01/66/14/344016614.db2.gz WRUGHDGVGBZWIU-ONEGZZNKSA-N 0 0 166.264 2.958 10 30 AFEERN C/C(=N\O)[C@H](C)c1ccccc1 143099206 344016670 /nfs/dbraw/zinc/01/66/70/344016670.db2.gz KPDVLXUTABDCAH-QMIUEANQSA-N 0 0 163.220 2.640 10 30 AFEERN O=C1CCC=C1c1ccc(F)cc1 143151657 344017359 /nfs/dbraw/zinc/01/73/59/344017359.db2.gz UAYJICPAZRFGTD-UHFFFAOYSA-N 0 0 176.190 2.572 10 30 AFEERN C=C[C@@H](C)OCc1ccccc1 143131852 344017439 /nfs/dbraw/zinc/01/74/39/344017439.db2.gz REMWNMSFHRBOIU-SNVBAGLBSA-N 0 0 162.232 2.778 10 30 AFEERN C=C(C)C[C@]1(C#N)CCCCC1=O 143206862 344017656 /nfs/dbraw/zinc/01/76/56/344017656.db2.gz IAHCPCMYHVIFAC-NSHDSACASA-N 0 0 177.247 2.606 10 30 AFEERN C=C(C)C[C@@]1(C#N)CCCCC1=O 143207066 344017719 /nfs/dbraw/zinc/01/77/19/344017719.db2.gz IAHCPCMYHVIFAC-LLVKDONJSA-N 0 0 177.247 2.606 10 30 AFEERN N#C[C@@]1([C@@H]2C=CCCC2)CCCC1=O 143206247 344017795 /nfs/dbraw/zinc/01/77/95/344017795.db2.gz APMZBOLYTRRTEM-ZYHUDNBSSA-N 0 0 189.258 2.606 10 30 AFEERN N#C[C@]1([C@H]2C=CCCC2)CCCC1=O 143206441 344017811 /nfs/dbraw/zinc/01/78/11/344017811.db2.gz APMZBOLYTRRTEM-JQWIXIFHSA-N 0 0 189.258 2.606 10 30 AFEERN N#C[C@]1([C@@H]2C=CCCC2)CCCC1=O 143206644 344017905 /nfs/dbraw/zinc/01/79/05/344017905.db2.gz APMZBOLYTRRTEM-PWSUYJOCSA-N 0 0 189.258 2.606 10 30 AFEERN N#C[C@@]1([C@H]2C=CCCC2)CCCC1=O 143206046 344017924 /nfs/dbraw/zinc/01/79/24/344017924.db2.gz APMZBOLYTRRTEM-CMPLNLGQSA-N 0 0 189.258 2.606 10 30 AFEERN CC1=N[C@](C)([C@H](C)S)S[C@H]1C 143232206 344018016 /nfs/dbraw/zinc/01/80/16/344018016.db2.gz JONCGZCLRCTNMQ-FXQIFTODSA-N 0 0 189.349 2.617 10 30 AFEERN N#CCC1=CCCc2ccc(O)cc21 143427012 344018749 /nfs/dbraw/zinc/01/87/49/344018749.db2.gz GGIZWHGYBIOVIK-UHFFFAOYSA-N 0 0 185.226 2.635 10 30 AFEERN CC(C)[C@H]1C=COC2=C1C(=O)CCC2 143427883 344019222 /nfs/dbraw/zinc/01/92/22/344019222.db2.gz LUCYVBLUFJXGCZ-SECBINFHSA-N 0 0 192.258 2.810 10 30 AFEERN CC(C)[C@@H]1C=COC2=C1C(=O)CCC2 143427675 344019362 /nfs/dbraw/zinc/01/93/62/344019362.db2.gz LUCYVBLUFJXGCZ-VIFPVBQESA-N 0 0 192.258 2.810 10 30 AFEERN CC[C@@H](C)/C=C(/C)C(C)=O 143665267 344020867 /nfs/dbraw/zinc/02/08/67/344020867.db2.gz IGGLXFFDERYJLU-QHRPWQPMSA-N 0 0 140.226 2.568 10 30 AFEERN CC1(C)C=COC2=C1C(=O)CCC2 143734473 344021405 /nfs/dbraw/zinc/02/14/05/344021405.db2.gz UPCMZKPPWQFNAK-UHFFFAOYSA-N 0 0 178.231 2.564 10 30 AFEERN CC[C@H](C)/C=C(/C)C(C)=O 143665482 344021473 /nfs/dbraw/zinc/02/14/73/344021473.db2.gz IGGLXFFDERYJLU-VQKCLUMFSA-N 0 0 140.226 2.568 10 30 AFEERN SC[C@@H]1CC2CCC1CC2 143682374 344021557 /nfs/dbraw/zinc/02/15/57/344021557.db2.gz PUHFFRZYQXRODL-HACHORDNSA-N 0 0 156.294 2.743 10 30 AFEERN SC[C@H]1CC2CCC1CC2 143682560 344021594 /nfs/dbraw/zinc/02/15/94/344021594.db2.gz PUHFFRZYQXRODL-AMDVSUOASA-N 0 0 156.294 2.743 10 30 AFEERN O=C(/C=C/Cl)c1cccs1 143810195 344021953 /nfs/dbraw/zinc/02/19/53/344021953.db2.gz ZZRASWTURDFOBF-ONEGZZNKSA-N 0 0 172.636 2.683 10 30 AFEERN CCC(C)(C)CCS 143813210 344022333 /nfs/dbraw/zinc/02/23/33/344022333.db2.gz UFIACSXHRQTJDY-UHFFFAOYSA-N 0 0 132.272 2.743 10 30 AFEERN C=CCc1cc(O)c(O)cc1CCC 143868957 344022882 /nfs/dbraw/zinc/02/28/82/344022882.db2.gz PKWGBCYANQJDIA-UHFFFAOYSA-N 0 0 192.258 2.779 10 30 AFEERN Cc1ccc2[n-]cc([S+](C)C)c2c1 144027698 344023902 /nfs/dbraw/zinc/02/39/02/344023902.db2.gz VDEWZUAPFQFYAW-UHFFFAOYSA-N 0 0 192.307 2.713 10 30 AFEERN CCCNc1cc(F)cc(C#N)c1 144148366 344024603 /nfs/dbraw/zinc/02/46/03/344024603.db2.gz KDVDONJPYMXJNJ-UHFFFAOYSA-N 0 0 178.210 2.519 10 30 AFEERN C=C(CC1CCCC1)C(=O)OCC 144166200 344024984 /nfs/dbraw/zinc/02/49/84/344024984.db2.gz LQSULMAHWNFDKJ-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(CC)CCCl 145566579 344034527 /nfs/dbraw/zinc/03/45/27/344034527.db2.gz NKNHUTQVCNUDBR-UHFFFAOYSA-N 0 0 118.607 2.582 10 30 AFEERN CC1(C)CC[C@@]2(F)C=CC(=O)C=C12 144398770 344026540 /nfs/dbraw/zinc/02/65/40/344026540.db2.gz LOTOVULHKDWQQB-NSHDSACASA-N 0 0 180.222 2.580 10 30 AFEERN C=CCc1cc(F)c(C#N)c(F)c1 144407761 344026772 /nfs/dbraw/zinc/02/67/72/344026772.db2.gz QQJNTZYPOUFRDZ-UHFFFAOYSA-N 0 0 179.169 2.565 10 30 AFEERN C=C(C)Cc1cccc(C)c1O 144449439 344027194 /nfs/dbraw/zinc/02/71/94/344027194.db2.gz YMLSAFHFFFGWNF-UHFFFAOYSA-N 0 0 162.232 2.819 10 30 AFEERN O/N=C(/CC1CC1)c1ccccc1 144534919 344027764 /nfs/dbraw/zinc/02/77/64/344027764.db2.gz AWEHICKDJYFMOK-QXMHVHEDSA-N 0 0 175.231 2.665 10 30 AFEERN Cc1cc(C#N)cc(OC(C)C)c1 144645766 344028449 /nfs/dbraw/zinc/02/84/49/344028449.db2.gz KABCQLOTMBBFCL-UHFFFAOYSA-N 0 0 175.231 2.654 10 30 AFEERN N#CCc1cccc2ccc(O)cc12 144776554 344029228 /nfs/dbraw/zinc/02/92/28/344029228.db2.gz HIJPGWKHVWYNRF-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN Cc1ccc(C#N)cc1OC(C)C 144761730 344029402 /nfs/dbraw/zinc/02/94/02/344029402.db2.gz KKJILDCGCVHXMF-UHFFFAOYSA-N 0 0 175.231 2.654 10 30 AFEERN Cc1cccc(C#N)c1C(F)(F)F 144920827 344030084 /nfs/dbraw/zinc/03/00/84/344030084.db2.gz UHILDNKHGFRDJO-UHFFFAOYSA-N 0 0 185.148 2.886 10 30 AFEERN Cc1ccc([C@]2(C#N)C[C@@H]2C)cc1 144904455 344030123 /nfs/dbraw/zinc/03/01/23/344030123.db2.gz QNRDCUPZRDXBDV-JQWIXIFHSA-N 0 0 171.243 2.796 10 30 AFEERN Cc1ccc([C@]2(C#N)C[C@H]2C)cc1 144904236 344030414 /nfs/dbraw/zinc/03/04/14/344030414.db2.gz QNRDCUPZRDXBDV-PWSUYJOCSA-N 0 0 171.243 2.796 10 30 AFEERN C(=C/Cc1ccccc1)\CC[C@@H]1CO1 145014798 344030754 /nfs/dbraw/zinc/03/07/54/344030754.db2.gz WVGPHFIQKFQYMR-ADQTWTKMSA-N 0 0 188.270 2.964 10 30 AFEERN C(=C/Cc1ccccc1)\CC[C@H]1CO1 145015038 344030795 /nfs/dbraw/zinc/03/07/95/344030795.db2.gz WVGPHFIQKFQYMR-NDRDAGNVSA-N 0 0 188.270 2.964 10 30 AFEERN Cc1cccc(C(F)(F)F)c1C#N 145184563 344031307 /nfs/dbraw/zinc/03/13/07/344031307.db2.gz YIGZMLMYHLITNR-UHFFFAOYSA-N 0 0 185.148 2.886 10 30 AFEERN C=CCc1c(O)cc(C)c2[nH]ccc12 145193405 344031892 /nfs/dbraw/zinc/03/18/92/344031892.db2.gz MJSSJABRHJQGFR-UHFFFAOYSA-N 0 0 187.242 2.910 10 30 AFEERN CCNc1ccc2cc(C#N)ccc2n1 145221669 344031923 /nfs/dbraw/zinc/03/19/23/344031923.db2.gz FXIZXJVSHGTULP-UHFFFAOYSA-N 0 0 197.241 2.538 10 30 AFEERN Cc1cnc(SC(C)C)c(C#N)c1 145259820 344031939 /nfs/dbraw/zinc/03/19/39/344031939.db2.gz KNCQLLWCHRMIFM-UHFFFAOYSA-N 0 0 192.287 2.762 10 30 AFEERN C=C(CC(C)(C)C)C(=O)OCC 145260006 344032274 /nfs/dbraw/zinc/03/22/74/344032274.db2.gz NBEZMDHFVPJSAZ-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=C(C)c1ccc(CC(C)=O)cc1 145276319 344032386 /nfs/dbraw/zinc/03/23/86/344032386.db2.gz TVGLWNZVSLRMQX-UHFFFAOYSA-N 0 0 174.243 2.851 10 30 AFEERN C=CCCC(=O)N(C)c1ccccc1 145319602 344032816 /nfs/dbraw/zinc/03/28/16/344032816.db2.gz CPWSGXRIBSIKBT-UHFFFAOYSA-N 0 0 189.258 2.616 10 30 AFEERN N#Cc1cccc(Cc2ccccc2)n1 145485074 344033895 /nfs/dbraw/zinc/03/38/95/344033895.db2.gz BXWPZEQQHDNSLE-UHFFFAOYSA-N 0 0 194.237 2.544 10 30 AFEERN C#CC(=O)c1cccc(Cl)c1Cl 145677108 344035037 /nfs/dbraw/zinc/03/50/37/344035037.db2.gz XPLZFZLXZFKBSX-UHFFFAOYSA-N 0 0 199.036 2.809 10 30 AFEERN CC/C(=N\O)c1cccc(Cl)c1 145744195 344035675 /nfs/dbraw/zinc/03/56/75/344035675.db2.gz KXFNMSPCPATVRL-PKNBQFBNSA-N 0 0 183.638 2.928 10 30 AFEERN C=CCC[C@@H]1CCC[C@@]1(C)O 145791856 344036195 /nfs/dbraw/zinc/03/61/95/344036195.db2.gz PWGSDRAZGXUDNE-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN O=C(/C=C/Cl)CC1CCCC1 145907668 344036770 /nfs/dbraw/zinc/03/67/70/344036770.db2.gz BUFOKFDWCKXBSC-AATRIKPKSA-N 0 0 172.655 2.888 10 30 AFEERN C1CC[C@@H]2C[C@@]3(CC[C@H]2C1)CO3 145932347 344037128 /nfs/dbraw/zinc/03/71/28/344037128.db2.gz FPFVZIDENANHLL-MXWKQRLJSA-N 0 0 166.264 2.746 10 30 AFEERN C=C(Cl)CC1(C=O)CCCC1 146024762 344037978 /nfs/dbraw/zinc/03/79/78/344037978.db2.gz PCJIPUHTNUEWNF-UHFFFAOYSA-N 0 0 172.655 2.888 10 30 AFEERN C=CC[C@H]1OCCc2ccccc21 146067917 344038205 /nfs/dbraw/zinc/03/82/05/344038205.db2.gz OVQDDHWDLPQFIW-GFCCVEGCSA-N 0 0 174.243 2.877 10 30 AFEERN CCc1c(C)ccc(C#N)c1C 146069550 344038349 /nfs/dbraw/zinc/03/83/49/344038349.db2.gz BKSNSKVOZNFAPG-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN C=CC[C@@H]1OCCc2ccccc21 146067688 344038384 /nfs/dbraw/zinc/03/83/84/344038384.db2.gz OVQDDHWDLPQFIW-LBPRGKRZSA-N 0 0 174.243 2.877 10 30 AFEERN C=CC[C@@]1(C)CCC[C@@H](C)C1=O 146323438 344040025 /nfs/dbraw/zinc/04/00/25/344040025.db2.gz BTMGAPAMMSLTAU-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)Oc1ccc(C)cc1C 146216265 344040266 /nfs/dbraw/zinc/04/02/66/344040266.db2.gz OHOVTLYUQRNORQ-UHFFFAOYSA-N 0 0 190.242 2.785 10 30 AFEERN C=CC[C@]1(C)CCC[C@@H](C)C1=O 146323240 344040344 /nfs/dbraw/zinc/04/03/44/344040344.db2.gz BTMGAPAMMSLTAU-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)C/C=N/N1CCCCC1 146361266 344040855 /nfs/dbraw/zinc/04/08/55/344040855.db2.gz KIRURKKVGBJLSV-YRNVUSSQSA-N 0 0 168.284 2.504 10 30 AFEERN CCCCCCC[C@H](O)CC(C)=O 146752240 344041837 /nfs/dbraw/zinc/04/18/37/344041837.db2.gz KLKLCNBOUOUUHB-NSHDSACASA-N 0 0 186.295 2.687 10 30 AFEERN C=C[C@H]1CCCCCCCC(=O)O1 146797706 344042133 /nfs/dbraw/zinc/04/21/33/344042133.db2.gz VWLGQBQCQCDPMA-JTQLQIEISA-N 0 0 182.263 2.829 10 30 AFEERN CCCCCCC[C@@H](O)CC(C)=O 146752040 344042248 /nfs/dbraw/zinc/04/22/48/344042248.db2.gz KLKLCNBOUOUUHB-LLVKDONJSA-N 0 0 186.295 2.687 10 30 AFEERN C=C(C)c1ccc(C)cc1[N+](=O)[O-] 147603498 344044688 /nfs/dbraw/zinc/04/46/88/344044688.db2.gz IFLGRXHOWHCHMI-UHFFFAOYSA-N 0 0 177.203 2.936 10 30 AFEERN C=CCOc1cccc(C=C)c1 147737167 344045055 /nfs/dbraw/zinc/04/50/55/344045055.db2.gz VLAUSEDQEXMOFD-UHFFFAOYSA-N 0 0 160.216 2.894 10 30 AFEERN C=CCCc1nc(C)c(C)s1 148281988 344052066 /nfs/dbraw/zinc/05/20/66/344052066.db2.gz YPVKBSSOTCDZDX-UHFFFAOYSA-N 0 0 167.277 2.879 10 30 AFEERN C=CCc1ccc2cccnc2c1 148284633 344052222 /nfs/dbraw/zinc/05/22/22/344052222.db2.gz LGVCDQKGBZEUCF-UHFFFAOYSA-N 0 0 169.227 2.963 10 30 AFEERN C=CCc1occc1Br 148301695 344052345 /nfs/dbraw/zinc/05/23/45/344052345.db2.gz CEBIAFZBPSPRRA-UHFFFAOYSA-N 0 0 187.036 2.771 10 30 AFEERN C=CCc1cccc2[nH]ccc12 148297983 344052512 /nfs/dbraw/zinc/05/25/12/344052512.db2.gz BTMKQCRBWGWSTG-UHFFFAOYSA-N 0 0 157.216 2.896 10 30 AFEERN C=CC[C@@H]1CCO[C@@]2(CCSC2)C1 148292116 344052545 /nfs/dbraw/zinc/05/25/45/344052545.db2.gz LGTNHMKWGVZFHD-MNOVXSKESA-N 0 0 198.331 2.865 10 30 AFEERN C=CC[C@H]1CCO[C@@]2(CCSC2)C1 148292366 344052598 /nfs/dbraw/zinc/05/25/98/344052598.db2.gz LGTNHMKWGVZFHD-QWRGUYRKSA-N 0 0 198.331 2.865 10 30 AFEERN C=CC[C@H]1CCO[C@]2(CCSC2)C1 148291946 344052691 /nfs/dbraw/zinc/05/26/91/344052691.db2.gz LGTNHMKWGVZFHD-WDEREUQCSA-N 0 0 198.331 2.865 10 30 AFEERN C=CCCc1cn2ccsc2n1 148292785 344052729 /nfs/dbraw/zinc/05/27/29/344052729.db2.gz WUVFGHVDAXBIFQ-UHFFFAOYSA-N 0 0 178.260 2.514 10 30 AFEERN C=CC[C@@H]1CCO[C@]2(CCSC2)C1 148291761 344052797 /nfs/dbraw/zinc/05/27/97/344052797.db2.gz LGTNHMKWGVZFHD-GHMZBOCLSA-N 0 0 198.331 2.865 10 30 AFEERN COc1cccc2c(CC#N)cccc12 148341686 344053089 /nfs/dbraw/zinc/05/30/89/344053089.db2.gz FETQTTWTUSJQKA-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN C[C@@H]1CCC[C@@H](C[C@@H]2CO2)C1 148328637 344053178 /nfs/dbraw/zinc/05/31/78/344053178.db2.gz NMAJPDVOXAYQFN-OPRDCNLKSA-N 0 0 154.253 2.602 10 30 AFEERN CC1CCC(C[C@@H]2CO2)CC1 148337923 344053222 /nfs/dbraw/zinc/05/32/22/344053222.db2.gz PBAGGJSCSPVQCP-UDNWOFFPSA-N 0 0 154.253 2.602 10 30 AFEERN CC1CCC(C[C@H]2CO2)CC1 148338142 344053308 /nfs/dbraw/zinc/05/33/08/344053308.db2.gz PBAGGJSCSPVQCP-RTBKNWGFSA-N 0 0 154.253 2.602 10 30 AFEERN C[C@@H]1CCC[C@H](C[C@@H]2CO2)C1 148328203 344053359 /nfs/dbraw/zinc/05/33/59/344053359.db2.gz NMAJPDVOXAYQFN-KXUCPTDWSA-N 0 0 154.253 2.602 10 30 AFEERN C[C@H]1C[C@@H](C[C@@H]2CO2)CC[C@H]1C 148359571 344053736 /nfs/dbraw/zinc/05/37/36/344053736.db2.gz RCWZABCSSPISRP-VPOLOUISSA-N 0 0 168.280 2.848 10 30 AFEERN c1cc(C[C@H]2CO2)c2sccc2c1 148365679 344053757 /nfs/dbraw/zinc/05/37/57/344053757.db2.gz QDBFJZREUHAKSE-JTQLQIEISA-N 0 0 190.267 2.843 10 30 AFEERN Cc1cc(C)c(C[C@@H]2CO2)cc1C 148346631 344053762 /nfs/dbraw/zinc/05/37/62/344053762.db2.gz MLNWZZZTRFBJLK-GFCCVEGCSA-N 0 0 176.259 2.553 10 30 AFEERN c1cc(C[C@@H]2CO2)c2sccc2c1 148365464 344053785 /nfs/dbraw/zinc/05/37/85/344053785.db2.gz QDBFJZREUHAKSE-SNVBAGLBSA-N 0 0 190.267 2.843 10 30 AFEERN C[C@H]1CC(C[C@@H]2CO2)C[C@H](C)C1 148359354 344053814 /nfs/dbraw/zinc/05/38/14/344053814.db2.gz BABYNCBZGPZMCN-FXPVBKGRSA-N 0 0 168.280 2.848 10 30 AFEERN c1cc2c(cc1CC[C@@H]1CO1)CCC2 148358575 344053836 /nfs/dbraw/zinc/05/38/36/344053836.db2.gz NYDWTMVUDPFCAJ-CYBMUJFWSA-N 0 0 188.270 2.507 10 30 AFEERN CC(C)c1ccc(C[C@H]2CO2)cc1 148369233 344053838 /nfs/dbraw/zinc/05/38/38/344053838.db2.gz NGXLBOQJHDRHLD-LBPRGKRZSA-N 0 0 176.259 2.751 10 30 AFEERN N#Cc1ccc2cccc-2cc1C#N 148369504 344053840 /nfs/dbraw/zinc/05/38/40/344053840.db2.gz UKVSPHKRFGOICF-UHFFFAOYSA-N 0 0 178.194 2.535 10 30 AFEERN Cc1cc(C)c(C[C@H]2CO2)cc1C 148346759 344053858 /nfs/dbraw/zinc/05/38/58/344053858.db2.gz MLNWZZZTRFBJLK-LBPRGKRZSA-N 0 0 176.259 2.553 10 30 AFEERN c1cc2c(cc1CC[C@H]1CO1)CCC2 148358769 344053874 /nfs/dbraw/zinc/05/38/74/344053874.db2.gz NYDWTMVUDPFCAJ-ZDUSSCGKSA-N 0 0 188.270 2.507 10 30 AFEERN CC(C)c1ccc(C[C@@H]2CO2)cc1 148368984 344053878 /nfs/dbraw/zinc/05/38/78/344053878.db2.gz NGXLBOQJHDRHLD-GFCCVEGCSA-N 0 0 176.259 2.751 10 30 AFEERN CCC1CCC(C[C@H]2CO2)CC1 148380346 344054269 /nfs/dbraw/zinc/05/42/69/344054269.db2.gz CMJJKJSUVKFBID-ILDUYXDCSA-N 0 0 168.280 2.992 10 30 AFEERN CC(=O)[C@](C)(C#N)C1CCCCC1 148539704 344055057 /nfs/dbraw/zinc/05/50/57/344055057.db2.gz NZEAVTKXKHZRPL-NSHDSACASA-N 0 0 179.263 2.686 10 30 AFEERN Cc1c(Cl)cc(F)cc1C#N 148540406 344055442 /nfs/dbraw/zinc/05/54/42/344055442.db2.gz NCFIHGLUVDKSOX-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CC(=O)[C@@](C)(C#N)C1CCCCC1 148539505 344055430 /nfs/dbraw/zinc/05/54/30/344055430.db2.gz NZEAVTKXKHZRPL-LLVKDONJSA-N 0 0 179.263 2.686 10 30 AFEERN Cc1cc(C)cc([C@]2(C)CO2)c1 148616017 344056398 /nfs/dbraw/zinc/05/63/98/344056398.db2.gz QWYVKKNDXWBJGV-NSHDSACASA-N 0 0 162.232 2.549 10 30 AFEERN C=C(Cl)COc1ccc(N)cc1C 148775059 344058466 /nfs/dbraw/zinc/05/84/66/344058466.db2.gz OVDZXHHGISSLHI-UHFFFAOYSA-N 0 0 197.665 2.709 10 30 AFEERN C#Cc1cccc(-c2cccnc2F)c1 148874802 344059818 /nfs/dbraw/zinc/05/98/18/344059818.db2.gz HAMITBFHAHYBOB-UHFFFAOYSA-N 0 0 197.212 2.869 10 30 AFEERN CC(=O)/C=C/c1cccc2cc[nH]c12 148881365 344059853 /nfs/dbraw/zinc/05/98/53/344059853.db2.gz DGUYDJHJOXRIPH-AATRIKPKSA-N 0 0 185.226 2.770 10 30 AFEERN CC(=O)/C=C1\CCC[C@H](C)C1 156206248 344081856 /nfs/dbraw/zinc/08/18/56/344081856.db2.gz SYWCBIXITCYCQY-VKHJRQFRSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1ccc(C#N)c2ccoc12 149027477 344061136 /nfs/dbraw/zinc/06/11/36/344061136.db2.gz CVRUJIMUIOVAOP-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN C=CCOc1cccc(OCC)c1 149400635 344065080 /nfs/dbraw/zinc/06/50/80/344065080.db2.gz AZDOCQCOLICPIE-UHFFFAOYSA-N 0 0 178.231 2.650 10 30 AFEERN C=CC(=O)C1=CC(C)(C)CCC1 149521477 344067069 /nfs/dbraw/zinc/06/70/69/344067069.db2.gz XZWHSBDPNPBBRK-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN O/N=C1/C=C2c3ccccc3C[C@H]2CC1 149532248 344067081 /nfs/dbraw/zinc/06/70/81/344067081.db2.gz RFSDBGIAVGTFSG-PIYPRNMZSA-N 0 0 199.253 2.866 10 30 AFEERN [N-]=[N+]=Nc1ncc(Cl)cc1[N+](=O)[O-] 149623256 344068595 /nfs/dbraw/zinc/06/85/95/344068595.db2.gz YXUXNHHZEYMJNT-UHFFFAOYSA-N 0 0 199.557 2.585 10 30 AFEERN CC(=O)/C=C/c1cc(F)ccc1C 149646609 344068980 /nfs/dbraw/zinc/06/89/80/344068980.db2.gz LLKVPIIIRFPAGP-SNAWJCMRSA-N 0 0 178.206 2.736 10 30 AFEERN C#CCOc1ccc(/C=C/C)cc1 149684573 344069583 /nfs/dbraw/zinc/06/95/83/344069583.db2.gz CVBJBHPZSNPKER-HWKANZROSA-N 0 0 172.227 2.732 10 30 AFEERN CC[C@@H](C#N)N[C@H]1CCCC(C)(C)C1 149835348 344072047 /nfs/dbraw/zinc/07/20/47/344072047.db2.gz ZGMXKMOCPYJUOP-QWRGUYRKSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@@H](C#N)N[C@@H]1CCCC(C)(C)C1 149834920 344072123 /nfs/dbraw/zinc/07/21/23/344072123.db2.gz ZGMXKMOCPYJUOP-WDEREUQCSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C#N)N[C@H]1CCCC(C)(C)C1 149835545 344072270 /nfs/dbraw/zinc/07/22/70/344072270.db2.gz ZGMXKMOCPYJUOP-MNOVXSKESA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CCCC(C)(C)C1 149835120 344072329 /nfs/dbraw/zinc/07/23/29/344072329.db2.gz ZGMXKMOCPYJUOP-GHMZBOCLSA-N 0 0 194.322 2.847 10 30 AFEERN N#CCCc1ccccc1CCC#N 149862560 344072750 /nfs/dbraw/zinc/07/27/50/344072750.db2.gz HONWARVNDRPINK-UHFFFAOYSA-N 0 0 184.242 2.599 10 30 AFEERN CC[C@](C)(C=O)c1ccc(C)cc1 149890389 344072790 /nfs/dbraw/zinc/07/27/90/344072790.db2.gz WHVIYJPKJVMWJH-GFCCVEGCSA-N 0 0 176.259 2.862 10 30 AFEERN CC[C@@](C)(C=O)c1ccc(C)cc1 149890167 344072830 /nfs/dbraw/zinc/07/28/30/344072830.db2.gz WHVIYJPKJVMWJH-LBPRGKRZSA-N 0 0 176.259 2.862 10 30 AFEERN CCCCCC/C=C\NC(C)=O 149944108 344073873 /nfs/dbraw/zinc/07/38/73/344073873.db2.gz QFUNXSPGJRGKKO-HJWRWDBZSA-N 0 0 169.268 2.607 10 30 AFEERN O=C(/C=C/C1CC1)c1ccccc1 150169288 344077829 /nfs/dbraw/zinc/07/78/29/344077829.db2.gz DZYCSXSDUGIBRN-CMDGGOBGSA-N 0 0 172.227 2.836 10 30 AFEERN C=CC[C@H]1CCCC(=O)[C@@H]1C 150197274 344078481 /nfs/dbraw/zinc/07/84/81/344078481.db2.gz SKYMZUNOSFRPGL-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cccc(C(F)F)c1C#N 150294982 344079207 /nfs/dbraw/zinc/07/92/07/344079207.db2.gz GWBCNSNQDAVEND-UHFFFAOYSA-N 0 0 167.158 2.804 10 30 AFEERN CC(C)=CC(=O)C1=CCCC1 150288963 344079249 /nfs/dbraw/zinc/07/92/49/344079249.db2.gz XIQZWXRTLOQFCQ-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(=O)/C=C(/C)C1CCCC1 157304419 344103138 /nfs/dbraw/zinc/10/31/38/344103138.db2.gz GQXSGKMFNRTMDT-FPLPWBNLSA-N 0 0 152.237 2.712 10 30 AFEERN FC(F)c1ccc([C@@H]2CO2)cc1 155912475 344080466 /nfs/dbraw/zinc/08/04/66/344080466.db2.gz YHBKLEUDZYYCSG-QMMMGPOBSA-N 0 0 170.158 2.696 10 30 AFEERN FC(F)c1ccc([C@H]2CO2)cc1 155912601 344080473 /nfs/dbraw/zinc/08/04/73/344080473.db2.gz YHBKLEUDZYYCSG-MRVPVSSYSA-N 0 0 170.158 2.696 10 30 AFEERN C=C(CC(C)=O)c1cccs1 156206525 344081600 /nfs/dbraw/zinc/08/16/00/344081600.db2.gz ZXXDOGDFYKPBOJ-SREVYHEPSA-N 0 0 166.245 2.740 10 30 AFEERN CC(=O)/C=C1\CCC[C@@H](C)C1 156206136 344081647 /nfs/dbraw/zinc/08/16/47/344081647.db2.gz SYWCBIXITCYCQY-RYGSOJJJSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C=C(\C)CC(C)C 156204944 344081679 /nfs/dbraw/zinc/08/16/79/344081679.db2.gz XOTICVNHWPZNJX-SOFGYWHQSA-N 0 0 140.226 2.568 10 30 AFEERN CC(=O)C=C1CCCCCC1 156205440 344081722 /nfs/dbraw/zinc/08/17/22/344081722.db2.gz GYYCRFFALODOOR-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CC(=O)/C=C1\CCCC[C@@H]1C 156205306 344081799 /nfs/dbraw/zinc/08/17/99/344081799.db2.gz XVHMWYPQYBWYLB-VKHJRQFRSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@@H](C)/C(C)=C/C(C)=O 156205570 344081898 /nfs/dbraw/zinc/08/18/98/344081898.db2.gz YUDLCGLDGITZFO-UQBZRGDZSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@H](C)/C(C)=C/C(C)=O 156205690 344081979 /nfs/dbraw/zinc/08/19/79/344081979.db2.gz YUDLCGLDGITZFO-DGUDBNDOSA-N 0 0 140.226 2.568 10 30 AFEERN CC(=O)/C=C1\CCCC[C@H]1C 156205180 344082056 /nfs/dbraw/zinc/08/20/56/344082056.db2.gz XVHMWYPQYBWYLB-RYGSOJJJSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)C=C(C)c1ccc(C)o1 156206374 344082070 /nfs/dbraw/zinc/08/20/70/344082070.db2.gz VSEONUVPHWIUGT-SREVYHEPSA-N 0 0 164.204 2.580 10 30 AFEERN FC(F)c1cccc([C@@H]2CO2)c1 156368072 344083733 /nfs/dbraw/zinc/08/37/33/344083733.db2.gz SYHRRRMOWCNAOA-QMMMGPOBSA-N 0 0 170.158 2.696 10 30 AFEERN FC(F)c1cccc([C@H]2CO2)c1 156368201 344084061 /nfs/dbraw/zinc/08/40/61/344084061.db2.gz SYHRRRMOWCNAOA-MRVPVSSYSA-N 0 0 170.158 2.696 10 30 AFEERN Cc1cc([C@H]2CO2)cc(C)c1F 156611703 344091730 /nfs/dbraw/zinc/09/17/30/344091730.db2.gz BDOGQDDNNWMXKW-SECBINFHSA-N 0 0 166.195 2.514 10 30 AFEERN CC(C)(c1ccc(F)cc1)[C@@H]1CO1 156609236 344091774 /nfs/dbraw/zinc/09/17/74/344091774.db2.gz CCDPGQMQJYMABT-JTQLQIEISA-N 0 0 180.222 2.502 10 30 AFEERN CC(C)(c1ccc(F)cc1)[C@H]1CO1 156614774 344091796 /nfs/dbraw/zinc/09/17/96/344091796.db2.gz CCDPGQMQJYMABT-SNVBAGLBSA-N 0 0 180.222 2.502 10 30 AFEERN CSc1ccc([C@@H]2CO2)cc1F 156605484 344091803 /nfs/dbraw/zinc/09/18/03/344091803.db2.gz JVBVJNCBLWMCCV-QMMMGPOBSA-N 0 0 184.235 2.619 10 30 AFEERN CSc1ccc([C@H]2CO2)cc1F 156611864 344091871 /nfs/dbraw/zinc/09/18/71/344091871.db2.gz JVBVJNCBLWMCCV-MRVPVSSYSA-N 0 0 184.235 2.619 10 30 AFEERN c1cc(-c2ccc([C@@H]3CO3)cc2)ccn1 156609637 344092186 /nfs/dbraw/zinc/09/21/86/344092186.db2.gz ZEEBFCIHIBBRPU-ZDUSSCGKSA-N 0 0 197.237 2.820 10 30 AFEERN Cc1cc([C@@H]2CO2)cc(C)c1F 156605317 344092189 /nfs/dbraw/zinc/09/21/89/344092189.db2.gz BDOGQDDNNWMXKW-VIFPVBQESA-N 0 0 166.195 2.514 10 30 AFEERN c1cc(-c2ccc([C@H]3CO3)cc2)ccn1 156615163 344092308 /nfs/dbraw/zinc/09/23/08/344092308.db2.gz ZEEBFCIHIBBRPU-CYBMUJFWSA-N 0 0 197.237 2.820 10 30 AFEERN CC[C@](C)(C#N)Cc1cncs1 157048837 344099458 /nfs/dbraw/zinc/09/94/58/344099458.db2.gz PSOYNLQCXWCJDA-VIFPVBQESA-N 0 0 180.276 2.625 10 30 AFEERN CC/C(=C/C(C)=O)C(C)C 157302309 344102897 /nfs/dbraw/zinc/10/28/97/344102897.db2.gz JOAXUKFWALHOKS-TWGQIWQCSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@@H]1CC/C(=C\C(C)=O)C1 157311909 344102953 /nfs/dbraw/zinc/10/29/53/344102953.db2.gz ANMGCLRJOVYWSF-ZFZMKPAXSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C=C1\CC[C@H](C)C[C@H]1C 157310445 344102958 /nfs/dbraw/zinc/10/29/58/344102958.db2.gz NVVAWGNHQIWMHG-VSLZQQBHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C1/CSCC(C)(C)C1 157311243 344102962 /nfs/dbraw/zinc/10/29/62/344102962.db2.gz SXVRORFGJVSDJC-RUDMXATFSA-N 0 0 184.304 2.665 10 30 AFEERN CC(=O)/C=C1\CC[C@H](C)C[C@@H]1C 157310736 344102972 /nfs/dbraw/zinc/10/29/72/344102972.db2.gz NVVAWGNHQIWMHG-GVKBMILNSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H]1CC/C(=C\C(C)=O)C1 157312073 344103002 /nfs/dbraw/zinc/10/30/02/344103002.db2.gz ANMGCLRJOVYWSF-CMWXKVOJSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C=C1/CCCC1(C)C 157304741 344103013 /nfs/dbraw/zinc/10/30/13/344103013.db2.gz BKKPKWQBKWDELU-CLFYSBASSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C=C(/C)c1ccsc1 157304280 344103024 /nfs/dbraw/zinc/10/30/24/344103024.db2.gz DSTYGYXIRPAVQS-ALCCZGGFSA-N 0 0 166.245 2.740 10 30 AFEERN CC(=O)C=C1C[C@@H](C)C[C@@H](C)C1 157306123 344103088 /nfs/dbraw/zinc/10/30/88/344103088.db2.gz GJNWCRPFTSNHMZ-DTORHVGOSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)C=C1C[C@H](C)C[C@@H](C)C1 157306389 344103113 /nfs/dbraw/zinc/10/31/13/344103113.db2.gz GJNWCRPFTSNHMZ-RKDXNWHRSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C1/CCC(C)(C)C1 157304903 344103126 /nfs/dbraw/zinc/10/31/26/344103126.db2.gz MFOWBOSEDFVTFE-TWGQIWQCSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C=C1\CC[C@H](C)[C@H](C)C1 157309667 344103134 /nfs/dbraw/zinc/10/31/34/344103134.db2.gz NWKPUARIOZRQBH-VSLZQQBHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C1\CC[C@H](C)[C@@H](C)C1 157309387 344103219 /nfs/dbraw/zinc/10/32/19/344103219.db2.gz NWKPUARIOZRQBH-GVKBMILNSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C1\CCC[C@H](C)[C@H]1C 157312561 344103225 /nfs/dbraw/zinc/10/32/25/344103225.db2.gz DFSXSMUWRVHXMY-AOGJEOPKSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C1/C[C@H](C)CC[C@@H]1C 157300309 344103256 /nfs/dbraw/zinc/10/32/56/344103256.db2.gz PSNDNKQUWGRDAW-VDEVDEQPSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C1\CCC[C@H](C)[C@@H]1C 157312855 344103816 /nfs/dbraw/zinc/10/38/16/344103816.db2.gz DFSXSMUWRVHXMY-NXOHHNNKSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C(/C)c1cccc(F)c1 157700851 344111624 /nfs/dbraw/zinc/11/16/24/344111624.db2.gz FJADISHQMIYCAC-VURMDHGXSA-N 0 0 178.206 2.818 10 30 AFEERN CC(=O)/C=C(/C)c1cccc(C)c1 157700693 344111741 /nfs/dbraw/zinc/11/17/41/344111741.db2.gz GEWAWNBBZBHTRH-NTMALXAHSA-N 0 0 174.243 2.987 10 30 AFEERN CC(=O)/C=C(/C)c1ccc(C)cc1 157700462 344112008 /nfs/dbraw/zinc/11/20/08/344112008.db2.gz CEBXTGRMONBOSE-NTMALXAHSA-N 0 0 174.243 2.987 10 30 AFEERN CC#CCCNc1cccc(F)c1 157764522 344113450 /nfs/dbraw/zinc/11/34/50/344113450.db2.gz NHQRHIHMEPSCFL-UHFFFAOYSA-N 0 0 177.222 2.651 10 30 AFEERN CC#CCCNc1ccc(OC)cc1 157771815 344113453 /nfs/dbraw/zinc/11/34/53/344113453.db2.gz MQAQMRKMVASLQU-UHFFFAOYSA-N 0 0 189.258 2.521 10 30 AFEERN CC#CCCNc1ccccc1C 157763291 344113472 /nfs/dbraw/zinc/11/34/72/344113472.db2.gz WUMGHNYCLWRYEF-UHFFFAOYSA-N 0 0 173.259 2.820 10 30 AFEERN CC#CCCNc1cccc(C)c1 157771155 344113541 /nfs/dbraw/zinc/11/35/41/344113541.db2.gz AEWNZNJRFUPVBE-UHFFFAOYSA-N 0 0 173.259 2.820 10 30 AFEERN CC#CCCNc1ccc(F)cc1 157763892 344113606 /nfs/dbraw/zinc/11/36/06/344113606.db2.gz GOSNUAKVJRNKQT-UHFFFAOYSA-N 0 0 177.222 2.651 10 30 AFEERN CC#CCCNc1ccccc1F 157765040 344113647 /nfs/dbraw/zinc/11/36/47/344113647.db2.gz SDGLCBHWOIHAPO-UHFFFAOYSA-N 0 0 177.222 2.651 10 30 AFEERN CC#CCCNc1ccc(C)cc1 157771647 344113667 /nfs/dbraw/zinc/11/36/67/344113667.db2.gz AXLMJUOJAKVPTM-UHFFFAOYSA-N 0 0 173.259 2.820 10 30 AFEERN CC#CCCNc1cc(F)cc(F)c1 157768690 344113749 /nfs/dbraw/zinc/11/37/49/344113749.db2.gz JTSYSOPRFZDPKL-UHFFFAOYSA-N 0 0 195.212 2.790 10 30 AFEERN CC#CCCNc1cccc(F)c1C 157777025 344114396 /nfs/dbraw/zinc/11/43/96/344114396.db2.gz VSXZXNQDBSDNOS-UHFFFAOYSA-N 0 0 191.249 2.959 10 30 AFEERN CC#CCCNc1ccc(F)c(C)c1 157775770 344114327 /nfs/dbraw/zinc/11/43/27/344114327.db2.gz DDGWQLAXAOSHTA-UHFFFAOYSA-N 0 0 191.249 2.959 10 30 AFEERN C=C=CC(=O)c1cc2cc(C)ccc2o1 158215463 344122102 /nfs/dbraw/zinc/12/21/02/344122102.db2.gz YIOCXMKGCGHWGX-UHFFFAOYSA-N 0 0 198.221 2.947 10 30 AFEERN C=C(C)[C@H](C#N)Nc1ccccc1C 158870831 344134134 /nfs/dbraw/zinc/13/41/34/344134134.db2.gz YJYHHCWFBLLOIK-LBPRGKRZSA-N 0 0 186.258 2.875 10 30 AFEERN C=C(C)[C@H](C#N)Nc1ccccc1 158867745 344134202 /nfs/dbraw/zinc/13/42/02/344134202.db2.gz MPPAQNUOBWALIY-NSHDSACASA-N 0 0 172.231 2.567 10 30 AFEERN C=C(C)[C@@H](C#N)Nc1ccccc1C 158870938 344134397 /nfs/dbraw/zinc/13/43/97/344134397.db2.gz YJYHHCWFBLLOIK-GFCCVEGCSA-N 0 0 186.258 2.875 10 30 AFEERN C=C(C)[C@@H](C#N)Nc1ccccc1 158867605 344134413 /nfs/dbraw/zinc/13/44/13/344134413.db2.gz MPPAQNUOBWALIY-LLVKDONJSA-N 0 0 172.231 2.567 10 30 AFEERN CC#CCC(=O)CC1CCSCC1 159047870 344137416 /nfs/dbraw/zinc/13/74/16/344137416.db2.gz DDLHGRPAGJUYLT-UHFFFAOYSA-N 0 0 196.315 2.502 10 30 AFEERN C=C(C)[C@@](C)(O)C1CCCCC1 159326473 344142521 /nfs/dbraw/zinc/14/25/21/344142521.db2.gz NWTVNFBMOSYEIE-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN COC1(C(=O)C=C(C)C)CCCCC1 159389828 344143390 /nfs/dbraw/zinc/14/33/90/344143390.db2.gz LYHSEKTYOQNGNL-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN C=CC(=O)C1(OC)CCC(C)(C)CC1 159457927 344145128 /nfs/dbraw/zinc/14/51/28/344145128.db2.gz XQTGVWUXDQFVRA-UHFFFAOYSA-N 0 0 196.290 2.727 10 30 AFEERN C#Cc1nc(NC(C)(C)C)sc1C 159695825 344150272 /nfs/dbraw/zinc/15/02/72/344150272.db2.gz UNSGPZUZBHQGJS-UHFFFAOYSA-N 0 0 194.303 2.643 10 30 AFEERN C#Cc1nc(NCC(C)C)sc1C 159696114 344150301 /nfs/dbraw/zinc/15/03/01/344150301.db2.gz GXICIVHBWLRHQE-UHFFFAOYSA-N 0 0 194.303 2.501 10 30 AFEERN N#CC1(Cc2cncs2)CCCC1 159808204 344152742 /nfs/dbraw/zinc/15/27/42/344152742.db2.gz UUQFEJYQNYLKMA-UHFFFAOYSA-N 0 0 192.287 2.770 10 30 AFEERN C=C(C)C[C@@]1(C)CCC(=O)C1 159949467 344154893 /nfs/dbraw/zinc/15/48/93/344154893.db2.gz HOCDTUMNMQHROC-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC[C@@]1(C)CCC(=O)C1 159948032 344154900 /nfs/dbraw/zinc/15/49/00/344154900.db2.gz UZICREAEFNQIFR-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC(=O)C(CC)CC 159950835 344154969 /nfs/dbraw/zinc/15/49/69/344154969.db2.gz YNQKEQKGNNDAAJ-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)CCC1=CC(=O)CC1 159948947 344155034 /nfs/dbraw/zinc/15/50/34/344155034.db2.gz QOQUNNMNCDZLTM-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=C(C)C[C@]1(C)CCC(=O)C1 159949339 344155128 /nfs/dbraw/zinc/15/51/28/344155128.db2.gz HOCDTUMNMQHROC-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC[C@]1(C)CCC(=O)C1 159948125 344155133 /nfs/dbraw/zinc/15/51/33/344155133.db2.gz UZICREAEFNQIFR-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)CC[C@H]1CCCC1=O 159958480 344155519 /nfs/dbraw/zinc/15/55/19/344155519.db2.gz MSNVXILFUJAXDK-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H]1CC[C@H](C(=O)C2=COCCC2)C1 160019910 344156464 /nfs/dbraw/zinc/15/64/64/344156464.db2.gz VNTBTDIMHPAZML-UWVGGRQHSA-N 0 0 194.274 2.686 10 30 AFEERN O=C(C1=COCCC1)c1cccs1 160003832 344156528 /nfs/dbraw/zinc/15/65/28/344156528.db2.gz ZEBLVJZNHVWIJF-UHFFFAOYSA-N 0 0 194.255 2.625 10 30 AFEERN O=C(C1=COCCC1)c1ccsc1 160005105 344156582 /nfs/dbraw/zinc/15/65/82/344156582.db2.gz GJLOEDXIHNKIAB-UHFFFAOYSA-N 0 0 194.255 2.625 10 30 AFEERN C[C@H]1CC[C@@H](C(=O)C2=COCCC2)C1 160020197 344156713 /nfs/dbraw/zinc/15/67/13/344156713.db2.gz VNTBTDIMHPAZML-VHSXEESVSA-N 0 0 194.274 2.686 10 30 AFEERN O=C(C1=COCCC1)c1ccccc1 160006364 344156729 /nfs/dbraw/zinc/15/67/29/344156729.db2.gz MTGLESQGUODINN-UHFFFAOYSA-N 0 0 188.226 2.564 10 30 AFEERN C[C@@H]1CC[C@H](C(=O)C2=COCCC2)C1 160019852 344156744 /nfs/dbraw/zinc/15/67/44/344156744.db2.gz VNTBTDIMHPAZML-ZJUUUORDSA-N 0 0 194.274 2.686 10 30 AFEERN C[C@@H]1CC[C@@H](C(=O)C2=COCCC2)C1 160020111 344156847 /nfs/dbraw/zinc/15/68/47/344156847.db2.gz VNTBTDIMHPAZML-NXEZZACHSA-N 0 0 194.274 2.686 10 30 AFEERN CC[C@@H](C)SC1=CC(=O)CC1 160269248 344161541 /nfs/dbraw/zinc/16/15/41/344161541.db2.gz XRCUSTVMAWTNJO-SSDOTTSWSA-N 0 0 170.277 2.765 10 30 AFEERN CC[C@H](C)SC1=CC(=O)CC1 160269330 344161614 /nfs/dbraw/zinc/16/16/14/344161614.db2.gz XRCUSTVMAWTNJO-ZETCQYMHSA-N 0 0 170.277 2.765 10 30 AFEERN O=C1C=C(SC2CCCC2)CC1 160280163 344161621 /nfs/dbraw/zinc/16/16/21/344161621.db2.gz CULHQFDQDRTWQV-UHFFFAOYSA-N 0 0 182.288 2.909 10 30 AFEERN CC(C)(C)SC1=CC(=O)CC1 160269656 344161746 /nfs/dbraw/zinc/16/17/46/344161746.db2.gz UROMYPGNSFTULL-UHFFFAOYSA-N 0 0 170.277 2.765 10 30 AFEERN CC(C)CSC1=CC(=O)CC1 160273949 344161769 /nfs/dbraw/zinc/16/17/69/344161769.db2.gz QNMXBGUYSQGVMO-UHFFFAOYSA-N 0 0 170.277 2.622 10 30 AFEERN C=C(C)CNc1cc(Cl)ccc1N 160294260 344161942 /nfs/dbraw/zinc/16/19/42/344161942.db2.gz RIEZQHDUQBZETM-UHFFFAOYSA-N 0 0 196.681 2.910 10 30 AFEERN C=C(C)CNc1cccc(N)c1C 160295478 344161955 /nfs/dbraw/zinc/16/19/55/344161955.db2.gz QQKQCQZWXPODKS-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C=C(C)CNc1cc(F)cc(F)c1N 160291181 344161966 /nfs/dbraw/zinc/16/19/66/344161966.db2.gz PINNMOXWDCZZHM-UHFFFAOYSA-N 0 0 198.216 2.535 10 30 AFEERN C=C(C)CNc1c(C)cccc1N 160293446 344162009 /nfs/dbraw/zinc/16/20/09/344162009.db2.gz BESIHSHTNSYQAU-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C=C(C)CNc1cc(N)ccc1C 160295919 344162064 /nfs/dbraw/zinc/16/20/64/344162064.db2.gz KEKZSIBRHFTPOH-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C=C(C)CNc1ccc(N)c(C)c1 160288196 344162124 /nfs/dbraw/zinc/16/21/24/344162124.db2.gz YAOJGKAUHGEWJI-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C=C(C)CNc1ccc(C)c(N)c1 160293977 344162169 /nfs/dbraw/zinc/16/21/69/344162169.db2.gz QJYPQIADECXWMY-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C=C(C)CNc1cccc(Cl)c1N 160296035 344162201 /nfs/dbraw/zinc/16/22/01/344162201.db2.gz USKGFFRWEMSNEZ-UHFFFAOYSA-N 0 0 196.681 2.910 10 30 AFEERN C=C(C)CNc1ccc(C)cc1N 160289780 344162209 /nfs/dbraw/zinc/16/22/09/344162209.db2.gz BFOLTDWZSMTDEG-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C=C(C)CNc1ccc(N)cc1Cl 160291491 344162212 /nfs/dbraw/zinc/16/22/12/344162212.db2.gz QAYDWDNFCADAOC-UHFFFAOYSA-N 0 0 196.681 2.910 10 30 AFEERN C=C(C)CNc1cc(C)ccc1N 160290491 344162224 /nfs/dbraw/zinc/16/22/24/344162224.db2.gz CVLODMKWKRBERA-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C=C(C)CNc1cc(C)cc(N)c1 160290774 344162230 /nfs/dbraw/zinc/16/22/30/344162230.db2.gz PKHOGDDMXXZNSK-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C=C(C)CNc1ccc(Cl)cc1N 160288780 344162238 /nfs/dbraw/zinc/16/22/38/344162238.db2.gz MGQHGFXHEABCMP-UHFFFAOYSA-N 0 0 196.681 2.910 10 30 AFEERN C=C(C)CNc1c(N)cccc1Cl 160294401 344162241 /nfs/dbraw/zinc/16/22/41/344162241.db2.gz RFCICPPVTYSSMI-UHFFFAOYSA-N 0 0 196.681 2.910 10 30 AFEERN C=C(C)CNc1ccc(N)cc1C 160290069 344162323 /nfs/dbraw/zinc/16/23/23/344162323.db2.gz FRWWJQFFJHTTFF-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN Cc1cccc(F)c1NC[C@@H](C)C#N 160313911 344162897 /nfs/dbraw/zinc/16/28/97/344162897.db2.gz QMPVBAMYUKPYNV-QMMMGPOBSA-N 0 0 192.237 2.706 10 30 AFEERN N#CCCNc1c(F)cccc1Cl 160380179 344163966 /nfs/dbraw/zinc/16/39/66/344163966.db2.gz IGALFLCVELIQAO-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN C=C(C)CNc1ccc(C#N)c(F)c1 160381231 344164115 /nfs/dbraw/zinc/16/41/15/344164115.db2.gz KRYAELKLSPCVNU-UHFFFAOYSA-N 0 0 190.221 2.685 10 30 AFEERN C=C(C)[C@](O)(CC)c1ccccc1F 160396007 344164284 /nfs/dbraw/zinc/16/42/84/344164284.db2.gz SXASBIVLPMDQNS-GFCCVEGCSA-N 0 0 194.249 2.999 10 30 AFEERN C=C(C)CNc1ncccc1Cl 160388467 344164289 /nfs/dbraw/zinc/16/42/89/344164289.db2.gz NCNBDRAWFJOUIN-UHFFFAOYSA-N 0 0 182.654 2.723 10 30 AFEERN C=C(C)[C@@](O)(CC)c1ccccc1F 160395890 344164591 /nfs/dbraw/zinc/16/45/91/344164591.db2.gz SXASBIVLPMDQNS-LBPRGKRZSA-N 0 0 194.249 2.999 10 30 AFEERN C=C(C)CNc1ccncc1Cl 160390105 344164629 /nfs/dbraw/zinc/16/46/29/344164629.db2.gz GNAQJALYXGZNLC-UHFFFAOYSA-N 0 0 182.654 2.723 10 30 AFEERN C=C[C@@](O)(CC)c1ccccc1F 160394923 344164637 /nfs/dbraw/zinc/16/46/37/344164637.db2.gz UZSRDFFTFHCHPN-LLVKDONJSA-N 0 0 180.222 2.609 10 30 AFEERN C=C[C@](O)(CC)c1ccccc1F 160394783 344164650 /nfs/dbraw/zinc/16/46/50/344164650.db2.gz UZSRDFFTFHCHPN-NSHDSACASA-N 0 0 180.222 2.609 10 30 AFEERN C#CCC1(O)CC(C)(C)CC(C)(C)C1 160444486 344166223 /nfs/dbraw/zinc/16/62/23/344166223.db2.gz VQPVZJICLXPEES-UHFFFAOYSA-N 0 0 194.318 2.977 10 30 AFEERN CCCCCCn1cccc1C#N 160450152 344166240 /nfs/dbraw/zinc/16/62/40/344166240.db2.gz VHHMAVVCESLSJK-UHFFFAOYSA-N 0 0 176.263 2.940 10 30 AFEERN CC1(C)CC(C)(C)CC(O)(CC#N)C1 160450049 344166334 /nfs/dbraw/zinc/16/63/34/344166334.db2.gz OEVLMSKCJGFJJY-UHFFFAOYSA-N 0 0 195.306 2.867 10 30 AFEERN CNC1(C#N)CC(C)(C)CC(C)(C)C1 160443619 344166409 /nfs/dbraw/zinc/16/64/09/344166409.db2.gz FGBZGTGFDDYGRS-UHFFFAOYSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)(C)CCn1cccc1C#N 160442903 344166518 /nfs/dbraw/zinc/16/65/18/344166518.db2.gz GSENHMQCEHKTSX-UHFFFAOYSA-N 0 0 176.263 2.796 10 30 AFEERN CC(=O)/C=C(/C)c1ccc(F)c(F)c1 160488324 344166815 /nfs/dbraw/zinc/16/68/15/344166815.db2.gz YSSIZQORCFXBDG-ALCCZGGFSA-N 0 0 196.196 2.957 10 30 AFEERN CC(=O)/C=C1/CCCc2occc21 160486000 344167122 /nfs/dbraw/zinc/16/71/22/344167122.db2.gz LTFHNYIRNDKDPM-CLFYSBASSA-N 0 0 176.215 2.588 10 30 AFEERN CC(=O)/C=C(/C)c1ccccc1F 160478905 344167170 /nfs/dbraw/zinc/16/71/70/344167170.db2.gz XQKLEMGENVDMNL-FPLPWBNLSA-N 0 0 178.206 2.818 10 30 AFEERN CC(=O)/C=C(/C)c1cc(C)oc1C 160480280 344167224 /nfs/dbraw/zinc/16/72/24/344167224.db2.gz GLGNZBRDMOMCLX-ALCCZGGFSA-N 0 0 178.231 2.889 10 30 AFEERN CC1(C)CC(NCC#N)CC(C)(C)C1 160456444 344167237 /nfs/dbraw/zinc/16/72/37/344167237.db2.gz GESVVHALXPFRFG-UHFFFAOYSA-N 0 0 194.322 2.704 10 30 AFEERN C#CCC[C@](C)(O)c1cccc(C)c1 160610653 344171373 /nfs/dbraw/zinc/17/13/73/344171373.db2.gz PUAHHJIZEJCLQS-ZDUSSCGKSA-N 0 0 188.270 2.616 10 30 AFEERN C#CCCCNc1ccc(OC)cc1 160660934 344173160 /nfs/dbraw/zinc/17/31/60/344173160.db2.gz QFKFJYSETSFAQX-UHFFFAOYSA-N 0 0 189.258 2.521 10 30 AFEERN C#CC(=O)Cc1ccc2ccccc2c1 160707864 344174828 /nfs/dbraw/zinc/17/48/28/344174828.db2.gz QFWMXJWEEHECIX-UHFFFAOYSA-N 0 0 194.233 2.585 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CCCCS1 160764790 344177315 /nfs/dbraw/zinc/17/73/15/344177315.db2.gz BTOAZSHPVUSZBQ-JTQLQIEISA-N 0 0 184.304 2.807 10 30 AFEERN CC(C)=CC(=O)[C@H]1CCCCS1 160764924 344177318 /nfs/dbraw/zinc/17/73/18/344177318.db2.gz BTOAZSHPVUSZBQ-SNVBAGLBSA-N 0 0 184.304 2.807 10 30 AFEERN C=C(C)C[C@H](O)c1ccncc1Cl 160826404 344178910 /nfs/dbraw/zinc/17/89/10/344178910.db2.gz HHFPSWDJNWDBHU-JTQLQIEISA-N 0 0 197.665 2.735 10 30 AFEERN C=C(C)C[C@H](O)c1ccc(C)nc1C 160832498 344178836 /nfs/dbraw/zinc/17/88/36/344178836.db2.gz IUFMYYVXUSBNRM-LBPRGKRZSA-N 0 0 191.274 2.698 10 30 AFEERN C=C(C)C[C@@H](O)c1ccncc1Cl 160826520 344178919 /nfs/dbraw/zinc/17/89/19/344178919.db2.gz HHFPSWDJNWDBHU-SNVBAGLBSA-N 0 0 197.665 2.735 10 30 AFEERN C=C(C)C[C@@H](O)c1ccc(C)nc1C 160832392 344179058 /nfs/dbraw/zinc/17/90/58/344179058.db2.gz IUFMYYVXUSBNRM-GFCCVEGCSA-N 0 0 191.274 2.698 10 30 AFEERN C[C@H]1C[C@]1(C#N)c1cccc(F)c1 160872968 344179411 /nfs/dbraw/zinc/17/94/11/344179411.db2.gz AYVPYDPOFVPMAE-GZMMTYOYSA-N 0 0 175.206 2.627 10 30 AFEERN C[C@H]1C[C@@]1(C#N)SC(C)(C)C 160891964 344179611 /nfs/dbraw/zinc/17/96/11/344179611.db2.gz YSNXHHLMWJVYAF-CBAPKCEASA-N 0 0 169.293 2.820 10 30 AFEERN C[C@@H]1C[C@]1(C#N)c1ccc(F)cc1F 160886428 344179617 /nfs/dbraw/zinc/17/96/17/344179617.db2.gz LWVPFQDHROIDDB-RDDDGLTNSA-N 0 0 193.196 2.766 10 30 AFEERN C[C@@H]1C[C@]1(C#N)SC1CCCC1 160895275 344179668 /nfs/dbraw/zinc/17/96/68/344179668.db2.gz PUPFXPSTBWXICW-PSASIEDQSA-N 0 0 181.304 2.964 10 30 AFEERN C[C@@H]1C[C@]1(C#N)SC(C)(C)C 160892100 344179726 /nfs/dbraw/zinc/17/97/26/344179726.db2.gz YSNXHHLMWJVYAF-VXNVDRBHSA-N 0 0 169.293 2.820 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)c1ccc(F)cc1F 160886183 344179731 /nfs/dbraw/zinc/17/97/31/344179731.db2.gz LWVPFQDHROIDDB-HQJQHLMTSA-N 0 0 193.196 2.766 10 30 AFEERN Cc1ccc([C@@]2(C#N)C[C@H]2C)cc1 160876503 344179746 /nfs/dbraw/zinc/17/97/46/344179746.db2.gz QNRDCUPZRDXBDV-ZYHUDNBSSA-N 0 0 171.243 2.796 10 30 AFEERN Cc1ccc([C@@]2(C#N)C[C@@H]2C)cc1 160876353 344179762 /nfs/dbraw/zinc/17/97/62/344179762.db2.gz QNRDCUPZRDXBDV-CMPLNLGQSA-N 0 0 171.243 2.796 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)SC1CCCC1 160895025 344179770 /nfs/dbraw/zinc/17/97/70/344179770.db2.gz PUPFXPSTBWXICW-SCZZXKLOSA-N 0 0 181.304 2.964 10 30 AFEERN C[C@H]1C[C@]1(C#N)c1ccc(F)cc1F 160886556 344179776 /nfs/dbraw/zinc/17/97/76/344179776.db2.gz LWVPFQDHROIDDB-WRWORJQWSA-N 0 0 193.196 2.766 10 30 AFEERN C[C@H]1C[C@]1(C#N)SC(C)(C)C 160892239 344179783 /nfs/dbraw/zinc/17/97/83/344179783.db2.gz YSNXHHLMWJVYAF-IONNQARKSA-N 0 0 169.293 2.820 10 30 AFEERN C=C(C)[C@H](O)C1CCC(F)(F)CC1 160885502 344179785 /nfs/dbraw/zinc/17/97/85/344179785.db2.gz OIRMVGCGSAIVJJ-VIFPVBQESA-N 0 0 190.233 2.749 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)SC(C)(C)C 160891830 344179788 /nfs/dbraw/zinc/17/97/88/344179788.db2.gz YSNXHHLMWJVYAF-APPZFPTMSA-N 0 0 169.293 2.820 10 30 AFEERN C[C@H]1C[C@]1(C#N)SC1CCCC1 160895402 344179843 /nfs/dbraw/zinc/17/98/43/344179843.db2.gz PUPFXPSTBWXICW-WCBMZHEXSA-N 0 0 181.304 2.964 10 30 AFEERN C=C(C)[C@@H](O)C1CCC(F)(F)CC1 160885623 344179851 /nfs/dbraw/zinc/17/98/51/344179851.db2.gz OIRMVGCGSAIVJJ-SECBINFHSA-N 0 0 190.233 2.749 10 30 AFEERN C[C@H]1C[C@@]1(C#N)SC1CCCC1 160895158 344179870 /nfs/dbraw/zinc/17/98/70/344179870.db2.gz PUPFXPSTBWXICW-WPRPVWTQSA-N 0 0 181.304 2.964 10 30 AFEERN C[C@H]1C[C@@]1(C#N)c1ccc(F)cc1F 160886298 344179904 /nfs/dbraw/zinc/17/99/04/344179904.db2.gz LWVPFQDHROIDDB-CPCISQLKSA-N 0 0 193.196 2.766 10 30 AFEERN C=CC(=O)[C@H]1CSc2ccccc21 160930131 344180750 /nfs/dbraw/zinc/18/07/50/344180750.db2.gz WAJYLNWQSBFFPX-VIFPVBQESA-N 0 0 190.267 2.631 10 30 AFEERN C=CC(=O)[C@@H]1CSc2ccccc21 160930025 344180768 /nfs/dbraw/zinc/18/07/68/344180768.db2.gz WAJYLNWQSBFFPX-SECBINFHSA-N 0 0 190.267 2.631 10 30 AFEERN CC#CCCC(=O)c1ccccc1F 160918345 344180814 /nfs/dbraw/zinc/18/08/14/344180814.db2.gz KWODETUBFMTSOW-UHFFFAOYSA-N 0 0 190.217 2.812 10 30 AFEERN CC#CCC[C@@H](O)c1ccsc1 160968865 344181514 /nfs/dbraw/zinc/18/15/14/344181514.db2.gz CCCHHEJONASLFI-SNVBAGLBSA-N 0 0 180.272 2.585 10 30 AFEERN CC#CCC[C@@H](O)c1ccc(F)cc1 160965420 344181572 /nfs/dbraw/zinc/18/15/72/344181572.db2.gz LPAFTTGMTNUBHO-GFCCVEGCSA-N 0 0 192.233 2.663 10 30 AFEERN C#CCCOc1ccc(F)c(C)c1 160962595 344181575 /nfs/dbraw/zinc/18/15/75/344181575.db2.gz RIWOSFDRMVYFII-UHFFFAOYSA-N 0 0 178.206 2.536 10 30 AFEERN CC#CCC[C@H](O)c1ccc(F)cc1 160965302 344181579 /nfs/dbraw/zinc/18/15/79/344181579.db2.gz LPAFTTGMTNUBHO-LBPRGKRZSA-N 0 0 192.233 2.663 10 30 AFEERN CC#CCC[C@@H](O)c1ccc(C)cc1 160966673 344181706 /nfs/dbraw/zinc/18/17/06/344181706.db2.gz UJXHKDKDEUFTNF-CYBMUJFWSA-N 0 0 188.270 2.832 10 30 AFEERN CC#CCC[C@H](O)c1ccsc1 160968739 344181730 /nfs/dbraw/zinc/18/17/30/344181730.db2.gz CCCHHEJONASLFI-JTQLQIEISA-N 0 0 180.272 2.585 10 30 AFEERN CC#CCC[C@H](O)c1ccc(C)cc1 160966552 344181889 /nfs/dbraw/zinc/18/18/89/344181889.db2.gz UJXHKDKDEUFTNF-ZDUSSCGKSA-N 0 0 188.270 2.832 10 30 AFEERN C#CCCC[C@H]1CCCCCC1=O 160992443 344182928 /nfs/dbraw/zinc/18/29/28/344182928.db2.gz OEKGZHDKMUYSTQ-NSHDSACASA-N 0 0 178.275 2.939 10 30 AFEERN CC(C)=CC(=O)[C@@]1(C)CCCS1 161081202 344184508 /nfs/dbraw/zinc/18/45/08/344184508.db2.gz VXTYQCCKASETGF-SNVBAGLBSA-N 0 0 184.304 2.807 10 30 AFEERN CC(C)=CC(=O)[C@]1(C)CCCS1 161081076 344184530 /nfs/dbraw/zinc/18/45/30/344184530.db2.gz VXTYQCCKASETGF-JTQLQIEISA-N 0 0 184.304 2.807 10 30 AFEERN C#CCCCn1nc(C)c(Cl)c1C 161072288 344184591 /nfs/dbraw/zinc/18/45/91/344184591.db2.gz HCGSUOMZDGBIMG-UHFFFAOYSA-N 0 0 196.681 2.567 10 30 AFEERN CC(C)=CC(=O)c1scnc1C 161098193 344184903 /nfs/dbraw/zinc/18/49/03/344184903.db2.gz ZVPQVLLXQFWJQP-UHFFFAOYSA-N 0 0 181.260 2.600 10 30 AFEERN CC(C)=CC(=O)c1ccncc1Cl 161099298 344184913 /nfs/dbraw/zinc/18/49/13/344184913.db2.gz YESWLZGMSKJHDP-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN C=C(C)C(=O)c1cccc2ncccc12 161119674 344184969 /nfs/dbraw/zinc/18/49/69/344184969.db2.gz OTKPYHCKORBNOK-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN CC(C)=CC(=O)c1cccnc1C 161097225 344185176 /nfs/dbraw/zinc/18/51/76/344185176.db2.gz JYGQQTYKDJETAR-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C=C(C)C(=O)c1cccc(N(C)C)c1 161123018 344185834 /nfs/dbraw/zinc/18/58/34/344185834.db2.gz NHFUJEVJORHGSD-UHFFFAOYSA-N 0 0 189.258 2.511 10 30 AFEERN CC#CCCNc1cccc(OC)c1 161171707 344185938 /nfs/dbraw/zinc/18/59/38/344185938.db2.gz FWFKEELAYHMAAF-UHFFFAOYSA-N 0 0 189.258 2.521 10 30 AFEERN N#CC#Cc1ccc2ccccc2c1 161205189 344186521 /nfs/dbraw/zinc/18/65/21/344186521.db2.gz LULNKMSCJGACDS-UHFFFAOYSA-N 0 0 177.206 2.715 10 30 AFEERN N#CC#Cc1cc(Cl)cc(Cl)c1 161217705 344186946 /nfs/dbraw/zinc/18/69/46/344186946.db2.gz CNDPAXDOSGSIBD-UHFFFAOYSA-N 0 0 196.036 2.868 10 30 AFEERN N#CC#Cc1cc2ccccc2s1 161221232 344187237 /nfs/dbraw/zinc/18/72/37/344187237.db2.gz MVGCKQLRSZTQSS-UHFFFAOYSA-N 0 0 183.235 2.776 10 30 AFEERN CCCn1c(C)cc(CC#N)c1C 161237844 344187870 /nfs/dbraw/zinc/18/78/70/344187870.db2.gz UOTIKTBAMXQPON-UHFFFAOYSA-N 0 0 176.263 2.581 10 30 AFEERN CC#CCCNc1ccsc1 161278436 344188253 /nfs/dbraw/zinc/18/82/53/344188253.db2.gz VSLUZJRTHSGIIL-UHFFFAOYSA-N 0 0 165.261 2.573 10 30 AFEERN CC#CCCSc1cccc(N)c1 161355848 344189605 /nfs/dbraw/zinc/18/96/05/344189605.db2.gz FKWSERWEULFLPX-UHFFFAOYSA-N 0 0 191.299 2.774 10 30 AFEERN CC#CCCSc1ccc(N)cc1 161351381 344190017 /nfs/dbraw/zinc/19/00/17/344190017.db2.gz LLRQIMQSCVHDEE-UHFFFAOYSA-N 0 0 191.299 2.774 10 30 AFEERN CC#CCC[C@@H]1C[C@H](C)CCC1=O 161390328 344190505 /nfs/dbraw/zinc/19/05/05/344190505.db2.gz JFKGOANLISSLPA-GHMZBOCLSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CCC[C@@H]1C[C@@H](C)CCC1=O 161390598 344190696 /nfs/dbraw/zinc/19/06/96/344190696.db2.gz JFKGOANLISSLPA-WDEREUQCSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CCC[C@H]1C[C@@H](C)CCC1=O 161390731 344190770 /nfs/dbraw/zinc/19/07/70/344190770.db2.gz JFKGOANLISSLPA-QWRGUYRKSA-N 0 0 178.275 2.795 10 30 AFEERN O=CC1=C(O)CCC2(CCCC2)C1 161390061 344190811 /nfs/dbraw/zinc/19/08/11/344190811.db2.gz CKWRJBLQMXMKCT-HJWRWDBZSA-N 0 0 180.247 2.742 10 30 AFEERN CC#CCC[C@H]1C[C@H](C)CCC1=O 161390459 344190836 /nfs/dbraw/zinc/19/08/36/344190836.db2.gz JFKGOANLISSLPA-MNOVXSKESA-N 0 0 178.275 2.795 10 30 AFEERN Cc1cc(C(=O)C2=CCCC2)co1 161422845 344191416 /nfs/dbraw/zinc/19/14/16/344191416.db2.gz KOTNOIPSYGPTEC-UHFFFAOYSA-N 0 0 176.215 2.881 10 30 AFEERN CC#CCC[C@@H](O)c1ccc(C)s1 161481220 344191761 /nfs/dbraw/zinc/19/17/61/344191761.db2.gz GIUTZAJLWZMMTF-SNVBAGLBSA-N 0 0 194.299 2.893 10 30 AFEERN CC#CCC[C@H](O)c1ccc(C)s1 161481100 344192072 /nfs/dbraw/zinc/19/20/72/344192072.db2.gz GIUTZAJLWZMMTF-JTQLQIEISA-N 0 0 194.299 2.893 10 30 AFEERN CC#CCCC1(O)C[C@H](C)C[C@@H](C)C1 161496916 344192507 /nfs/dbraw/zinc/19/25/07/344192507.db2.gz NQZQPZSRCMHBSQ-VXGBXAGGSA-N 0 0 194.318 2.977 10 30 AFEERN CC#CCC[C@@](C)(O)C(C)(C)C 161522660 344192800 /nfs/dbraw/zinc/19/28/00/344192800.db2.gz PMCFHVZEHDWLSZ-LLVKDONJSA-N 0 0 168.280 2.587 10 30 AFEERN CC#CCC[C@](C)(O)C(C)(C)C 161522536 344193082 /nfs/dbraw/zinc/19/30/82/344193082.db2.gz PMCFHVZEHDWLSZ-NSHDSACASA-N 0 0 168.280 2.587 10 30 AFEERN CC#CCC[C@@H]1CCCCC[C@H]1O 161546561 344193298 /nfs/dbraw/zinc/19/32/98/344193298.db2.gz FDLNGIZHNOSPFW-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@@H]1CCCCC[C@@H]1O 161546334 344193397 /nfs/dbraw/zinc/19/33/97/344193397.db2.gz FDLNGIZHNOSPFW-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@H]1CCCCC[C@@H]1O 161546445 344193565 /nfs/dbraw/zinc/19/35/65/344193565.db2.gz FDLNGIZHNOSPFW-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@H]1CCCCC[C@H]1O 161546678 344193642 /nfs/dbraw/zinc/19/36/42/344193642.db2.gz FDLNGIZHNOSPFW-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@H]1Cc2ccccc2N1 161690601 344195873 /nfs/dbraw/zinc/19/58/73/344195873.db2.gz BZBUYIQUPCRELD-LBPRGKRZSA-N 0 0 185.270 2.827 10 30 AFEERN CC#CCC[C@@H]1Cc2ccccc2N1 161690463 344196020 /nfs/dbraw/zinc/19/60/20/344196020.db2.gz BZBUYIQUPCRELD-GFCCVEGCSA-N 0 0 185.270 2.827 10 30 AFEERN CC#CCC[C@@H]1CCCCC(=O)C1 161714050 344196493 /nfs/dbraw/zinc/19/64/93/344196493.db2.gz BBWYSIAJOHQRFC-LLVKDONJSA-N 0 0 178.275 2.939 10 30 AFEERN CC#CCC[C@H]1CCCCC(=O)C1 161714179 344196609 /nfs/dbraw/zinc/19/66/09/344196609.db2.gz BBWYSIAJOHQRFC-NSHDSACASA-N 0 0 178.275 2.939 10 30 AFEERN CC#CCC[C@@H]1CCCC[C@H](O)C1 161775886 344197306 /nfs/dbraw/zinc/19/73/06/344197306.db2.gz AHPTYNPCCONRFJ-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@@H]1CCCC[C@@H](O)C1 161776149 344197492 /nfs/dbraw/zinc/19/74/92/344197492.db2.gz AHPTYNPCCONRFJ-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@H]1CCCC[C@@H](O)C1 161776284 344197609 /nfs/dbraw/zinc/19/76/09/344197609.db2.gz AHPTYNPCCONRFJ-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@H]1CCCC[C@H](O)C1 161776024 344197614 /nfs/dbraw/zinc/19/76/14/344197614.db2.gz AHPTYNPCCONRFJ-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN C=C(C)[C@](C)(O)C1CCCC1 162067607 344202706 /nfs/dbraw/zinc/20/27/06/344202706.db2.gz SWZXDXSCTYRLJH-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)[C@@](C)(O)C1CCCC1 162067731 344203445 /nfs/dbraw/zinc/20/34/45/344203445.db2.gz SWZXDXSCTYRLJH-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN CC#CC[C@@H](O)c1cc(C)cc(F)c1 162559251 344209911 /nfs/dbraw/zinc/20/99/11/344209911.db2.gz HXDGLGDIGGGQJI-GFCCVEGCSA-N 0 0 192.233 2.581 10 30 AFEERN CC#CC[C@H](O)c1cc(C)cc(F)c1 162559149 344210032 /nfs/dbraw/zinc/21/00/32/344210032.db2.gz HXDGLGDIGGGQJI-LBPRGKRZSA-N 0 0 192.233 2.581 10 30 AFEERN CC#CCC(=O)c1cc(C)cc(F)c1 162544676 344210040 /nfs/dbraw/zinc/21/00/40/344210040.db2.gz LIYKAJMXBLTEFK-UHFFFAOYSA-N 0 0 190.217 2.730 10 30 AFEERN c1ccc2sc([C@@H]3CO3)cc2c1 162634730 344211673 /nfs/dbraw/zinc/21/16/73/344211673.db2.gz AVJYCMPTDPTFOI-QMMMGPOBSA-N 0 0 176.240 2.973 10 30 AFEERN C=C(C)C(=O)c1ccc(C)s1 162798236 344213857 /nfs/dbraw/zinc/21/38/57/344213857.db2.gz NRAVVQLVJAUOKK-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN CC(C)=CC(=O)c1ccc(C)o1 162798094 344213988 /nfs/dbraw/zinc/21/39/88/344213988.db2.gz AIJHBASUTFVGMS-UHFFFAOYSA-N 0 0 164.204 2.737 10 30 AFEERN CCC(C)(C)C(=O)C=C(C)C 162795983 344214160 /nfs/dbraw/zinc/21/41/60/344214160.db2.gz JJQAECBMJJGVQW-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C#CCCCNc1cc(C)ccc1F 163054318 344218552 /nfs/dbraw/zinc/21/85/52/344218552.db2.gz RJSFZOBLAWNADM-UHFFFAOYSA-N 0 0 191.249 2.959 10 30 AFEERN C=CCNc1cccc(Cl)c1N 163077144 344218798 /nfs/dbraw/zinc/21/87/98/344218798.db2.gz MNQLHSPZAZBPON-UHFFFAOYSA-N 0 0 182.654 2.520 10 30 AFEERN C#CCCCNc1ccsc1 163098665 344219360 /nfs/dbraw/zinc/21/93/60/344219360.db2.gz BGPQVWWOUAYBMP-UHFFFAOYSA-N 0 0 165.261 2.573 10 30 AFEERN C#CCCC[C@H]1Cc2ccccc2C1=O 163148351 344219610 /nfs/dbraw/zinc/21/96/10/344219610.db2.gz IZNJGPKILLOWJF-LBPRGKRZSA-N 0 0 198.265 2.845 10 30 AFEERN C#CCCC[C@@H]1Cc2ccccc2C1=O 163148222 344219827 /nfs/dbraw/zinc/21/98/27/344219827.db2.gz IZNJGPKILLOWJF-GFCCVEGCSA-N 0 0 198.265 2.845 10 30 AFEERN C#CCCC[C@H]1C[C@H](C)CCC1=O 163148980 344219925 /nfs/dbraw/zinc/21/99/25/344219925.db2.gz KXQVDPKMFFJUPI-MNOVXSKESA-N 0 0 178.275 2.795 10 30 AFEERN C#CCCC[C@]1(O)CCC[C@H](C)C1 163210500 344220233 /nfs/dbraw/zinc/22/02/33/344220233.db2.gz XYCJVKLGAMWOPU-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCC[C@]1(O)CCCC[C@H]1C 163211832 344220262 /nfs/dbraw/zinc/22/02/62/344220262.db2.gz XSRGGQARCSDMRE-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCC[C@]1(O)CCCC[C@@H]1C 163211953 344220332 /nfs/dbraw/zinc/22/03/32/344220332.db2.gz XSRGGQARCSDMRE-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCC[C@]1(O)CCC[C@@H](C)C1 163210394 344220400 /nfs/dbraw/zinc/22/04/00/344220400.db2.gz XYCJVKLGAMWOPU-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCCC1(O)CCC(C)CC1 163210754 344220415 /nfs/dbraw/zinc/22/04/15/344220415.db2.gz IRPZPJGIXXYTLL-UHFFFAOYSA-N 0 0 180.291 2.731 10 30 AFEERN CC1(C)CCC(OC[C@]2(C)CO2)CC1 163208254 344220439 /nfs/dbraw/zinc/22/04/39/344220439.db2.gz GHSRBBRMDGYXHH-GFCCVEGCSA-N 0 0 198.306 2.761 10 30 AFEERN C#CCCC[C@@]1(O)CCC[C@H](C)C1 163210315 344220490 /nfs/dbraw/zinc/22/04/90/344220490.db2.gz XYCJVKLGAMWOPU-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCC[C@@]1(O)CCCC[C@H]1C 163211637 344220559 /nfs/dbraw/zinc/22/05/59/344220559.db2.gz XSRGGQARCSDMRE-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCC[C@@]1(O)CCC[C@@H](C)C1 163210204 344220583 /nfs/dbraw/zinc/22/05/83/344220583.db2.gz XYCJVKLGAMWOPU-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCC[C@@]1(O)CCCC[C@@H]1C 163211733 344220605 /nfs/dbraw/zinc/22/06/05/344220605.db2.gz XSRGGQARCSDMRE-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN CC1(C)CCC(OC[C@@]2(C)CO2)CC1 163208353 344220630 /nfs/dbraw/zinc/22/06/30/344220630.db2.gz GHSRBBRMDGYXHH-LBPRGKRZSA-N 0 0 198.306 2.761 10 30 AFEERN C#CCCC[C@]1(O)CC[C@@H](C)[C@@H](C)C1 163253828 344220756 /nfs/dbraw/zinc/22/07/56/344220756.db2.gz MXIAFKPFHGEGOE-AGIUHOORSA-N 0 0 194.318 2.977 10 30 AFEERN C#CCCCC1(O)CCCCCC1 163213119 344220674 /nfs/dbraw/zinc/22/06/74/344220674.db2.gz NKDHOGSLHQASSJ-UHFFFAOYSA-N 0 0 180.291 2.875 10 30 AFEERN C#CCCC[C@]1(O)CCC[C@H](C)[C@H]1C 163254410 344220765 /nfs/dbraw/zinc/22/07/65/344220765.db2.gz JNAPZJIMCDQSBU-XQQFMLRXSA-N 0 0 194.318 2.977 10 30 AFEERN C#CCCC[C@]1(O)CC[C@H](C)[C@@H](C)C1 163253940 344220786 /nfs/dbraw/zinc/22/07/86/344220786.db2.gz MXIAFKPFHGEGOE-AVGNSLFASA-N 0 0 194.318 2.977 10 30 AFEERN C#CCCC[C@]1(O)CCCC1(C)C 163268520 344220789 /nfs/dbraw/zinc/22/07/89/344220789.db2.gz YJYNARPJFSIMKL-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCC[C@@]1(O)CCCC1(C)C 163268385 344220895 /nfs/dbraw/zinc/22/08/95/344220895.db2.gz YJYNARPJFSIMKL-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCC[C@]1(O)CCC[C@@H](C)[C@H]1C 163254311 344221074 /nfs/dbraw/zinc/22/10/74/344221074.db2.gz JNAPZJIMCDQSBU-UPJWGTAASA-N 0 0 194.318 2.977 10 30 AFEERN C#CCCC[C@]1(O)CC[C@H](C)C[C@H]1C 163254892 344221098 /nfs/dbraw/zinc/22/10/98/344221098.db2.gz JWWHIDPXEASBTH-XQQFMLRXSA-N 0 0 194.318 2.977 10 30 AFEERN C#CCCC[C@]1(O)CCC(C)(C)C1 163276200 344221361 /nfs/dbraw/zinc/22/13/61/344221361.db2.gz ALNJOTKJUGISHV-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN C#CCCC[C@@]1(O)CCC(C)(C)C1 163276071 344221559 /nfs/dbraw/zinc/22/15/59/344221559.db2.gz ALNJOTKJUGISHV-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN C=C[C@H](O)c1ccc(Cl)cc1F 163274112 344221667 /nfs/dbraw/zinc/22/16/67/344221667.db2.gz CTOVVZVHKATDOM-VIFPVBQESA-N 0 0 186.613 2.699 10 30 AFEERN C#CC[C@@H](O)c1cc(Cl)ccc1F 163280220 344221673 /nfs/dbraw/zinc/22/16/73/344221673.db2.gz WRPANJIPHWVNHE-SNVBAGLBSA-N 0 0 198.624 2.536 10 30 AFEERN C[C@H](C(=O)C1=CCCC1)C1CC1 163394414 344223169 /nfs/dbraw/zinc/22/31/69/344223169.db2.gz DUFVLWSNIFHNKI-QMMMGPOBSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)(C)CC(=O)C1=COCCC1 163489141 344224094 /nfs/dbraw/zinc/22/40/94/344224094.db2.gz PIAARPKRUPIPGR-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C#CCCC[C@@H]1C[C@H](C)CC[C@H]1O 163580820 344225142 /nfs/dbraw/zinc/22/51/42/344225142.db2.gz QDENIMWLOGOZNZ-IJLUTSLNSA-N 0 0 180.291 2.587 10 30 AFEERN C#CCCC[C@@H]1C[C@@H](C)CC[C@H]1O 163580924 344225261 /nfs/dbraw/zinc/22/52/61/344225261.db2.gz QDENIMWLOGOZNZ-QJPTWQEYSA-N 0 0 180.291 2.587 10 30 AFEERN C#CCCC[C@@H]1C[C@@H](C)CC[C@@H]1O 163580706 344225289 /nfs/dbraw/zinc/22/52/89/344225289.db2.gz QDENIMWLOGOZNZ-TUAOUCFPSA-N 0 0 180.291 2.587 10 30 AFEERN C#CCCC[C@@H]1C[C@H](C)CC[C@@H]1O 163580603 344225320 /nfs/dbraw/zinc/22/53/20/344225320.db2.gz QDENIMWLOGOZNZ-UTUOFQBUSA-N 0 0 180.291 2.587 10 30 AFEERN C#CCCC[C@H]1Cc2ccccc2N1 163643518 344226031 /nfs/dbraw/zinc/22/60/31/344226031.db2.gz RRTVENYKAZZOMZ-LBPRGKRZSA-N 0 0 185.270 2.827 10 30 AFEERN C#CCCC[C@H]1CCCCC(=O)C1 163663458 344226068 /nfs/dbraw/zinc/22/60/68/344226068.db2.gz SRQKWQNACGUVOX-NSHDSACASA-N 0 0 178.275 2.939 10 30 AFEERN C#CCCC[C@@H]1CCCCC(=O)C1 163663335 344226103 /nfs/dbraw/zinc/22/61/03/344226103.db2.gz SRQKWQNACGUVOX-LLVKDONJSA-N 0 0 178.275 2.939 10 30 AFEERN C#CCCC[C@@H]1Cc2ccccc2N1 163643387 344226207 /nfs/dbraw/zinc/22/62/07/344226207.db2.gz RRTVENYKAZZOMZ-GFCCVEGCSA-N 0 0 185.270 2.827 10 30 AFEERN C#CCCCCC[C@@H](O)C(C)C 163687509 344226708 /nfs/dbraw/zinc/22/67/08/344226708.db2.gz JYZOSMNOQHWJHD-LLVKDONJSA-N 0 0 168.280 2.587 10 30 AFEERN CC(C)OCc1cc(F)cc(C#N)c1 163714141 344227549 /nfs/dbraw/zinc/22/75/49/344227549.db2.gz NYGDEOQPHDJHFA-UHFFFAOYSA-N 0 0 193.221 2.622 10 30 AFEERN CC(C)=CC(=O)c1ccoc1C 163741887 344228632 /nfs/dbraw/zinc/22/86/32/344228632.db2.gz YYZRYTAFQBKEAS-UHFFFAOYSA-N 0 0 164.204 2.737 10 30 AFEERN C=C(C)C[C@H](O)c1ccoc1C 163753322 344228935 /nfs/dbraw/zinc/22/89/35/344228935.db2.gz NPRUROOVOVFKEA-JTQLQIEISA-N 0 0 166.220 2.588 10 30 AFEERN C=C(C)C[C@@H](O)c1ccoc1C 163753197 344228973 /nfs/dbraw/zinc/22/89/73/344228973.db2.gz NPRUROOVOVFKEA-SNVBAGLBSA-N 0 0 166.220 2.588 10 30 AFEERN CSCc1cc(F)cc(C#N)c1 163771668 344229598 /nfs/dbraw/zinc/22/95/98/344229598.db2.gz KUYPOGZPPANEGJ-UHFFFAOYSA-N 0 0 181.235 2.560 10 30 AFEERN CCSCc1cc(F)cc(C#N)c1 163765702 344229777 /nfs/dbraw/zinc/22/97/77/344229777.db2.gz JTKIQCJSMGLBIQ-UHFFFAOYSA-N 0 0 195.262 2.950 10 30 AFEERN CC#CCCC(=O)c1occc1C 163887292 344232388 /nfs/dbraw/zinc/23/23/88/344232388.db2.gz QBMRAZWRHPELFC-UHFFFAOYSA-N 0 0 176.215 2.574 10 30 AFEERN CC#CCCC(=O)c1ccoc1C 163887191 344232422 /nfs/dbraw/zinc/23/24/22/344232422.db2.gz MGBSLPSAGZFHLN-UHFFFAOYSA-N 0 0 176.215 2.574 10 30 AFEERN Cc1ccc(F)cc1CCC#N 163910997 344233338 /nfs/dbraw/zinc/23/33/38/344233338.db2.gz UMFCEVALVVSWPS-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN C#Cc1ccc(C2CCC2)cc1 164154355 344238363 /nfs/dbraw/zinc/23/83/63/344238363.db2.gz NEISARIZVXKMGI-UHFFFAOYSA-N 0 0 156.228 2.935 10 30 AFEERN ON=C1CCC(OC2CCCC2)CC1 164188136 344238934 /nfs/dbraw/zinc/23/89/34/344238934.db2.gz IICIJBNAEIDMIG-UHFFFAOYSA-N 0 0 197.278 2.718 10 30 AFEERN C=C(C)C(=O)c1ccccc1N(C)C 164334887 344242176 /nfs/dbraw/zinc/24/21/76/344242176.db2.gz RAXSDUXYGSYFGD-UHFFFAOYSA-N 0 0 189.258 2.511 10 30 AFEERN C=CCC(=O)C1(C)CCCC1 164374975 344243706 /nfs/dbraw/zinc/24/37/06/344243706.db2.gz GZNICMSDTUAABX-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H]1CC[C@@H](C=O)c2ccccc21 164425123 344244480 /nfs/dbraw/zinc/24/44/80/344244480.db2.gz GPUWUKYKUZNFOC-UWVGGRQHSA-N 0 0 174.243 2.866 10 30 AFEERN C[C@@H]1CC[C@H](C=O)c2ccccc21 164424753 344244568 /nfs/dbraw/zinc/24/45/68/344244568.db2.gz GPUWUKYKUZNFOC-NXEZZACHSA-N 0 0 174.243 2.866 10 30 AFEERN C[C@H]1CC[C@H](C=O)c2ccccc21 164424879 344244719 /nfs/dbraw/zinc/24/47/19/344244719.db2.gz GPUWUKYKUZNFOC-VHSXEESVSA-N 0 0 174.243 2.866 10 30 AFEERN C[C@@H]1CC[C@@H](C=O)c2ccccc21 164424984 344244766 /nfs/dbraw/zinc/24/47/66/344244766.db2.gz GPUWUKYKUZNFOC-ZJUUUORDSA-N 0 0 174.243 2.866 10 30 AFEERN CCC[C@H](C)C[NH2+]CC(C)(C)C#N 164697453 344250141 /nfs/dbraw/zinc/25/01/41/344250141.db2.gz XQCRNNDRLPIPJR-JTQLQIEISA-N 0 0 182.311 2.562 10 30 AFEERN CCC[C@@H](C)C[NH2+]CC(C)(C)C#N 164697359 344250172 /nfs/dbraw/zinc/25/01/72/344250172.db2.gz XQCRNNDRLPIPJR-SNVBAGLBSA-N 0 0 182.311 2.562 10 30 AFEERN CC(C)=CC(=O)c1cnccc1C 164825219 344253043 /nfs/dbraw/zinc/25/30/43/344253043.db2.gz SNWAPTYNRKEZAV-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C=C(C)C(=O)OCc1ccccc1C 164943550 344255102 /nfs/dbraw/zinc/25/51/02/344255102.db2.gz ZYNKDLMBQIFFQS-UHFFFAOYSA-N 0 0 190.242 2.614 10 30 AFEERN C#Cc1ccc(OC(F)F)c(C)c1 165055164 344257701 /nfs/dbraw/zinc/25/77/01/344257701.db2.gz APOWHEBRLZHCPW-UHFFFAOYSA-N 0 0 182.169 2.578 10 30 AFEERN C=C=CC(=O)c1cc(Cl)ccc1F 165088621 344258163 /nfs/dbraw/zinc/25/81/63/344258163.db2.gz YQZWXKHXBIHLPO-UHFFFAOYSA-N 0 0 196.608 2.685 10 30 AFEERN N#CCC(=O)c1cccc(F)c1Cl 165249675 344260524 /nfs/dbraw/zinc/26/05/24/344260524.db2.gz OZMBQHYLOVYCPZ-UHFFFAOYSA-N 0 0 197.596 2.575 10 30 AFEERN C=CCN(c1ccc(C#N)cc1)C1CC1 165348785 344262546 /nfs/dbraw/zinc/26/25/46/344262546.db2.gz FNJMQHQDHBYFCW-UHFFFAOYSA-N 0 0 198.269 2.713 10 30 AFEERN [N-]=[N+]=Nc1nc(Cl)cs1 165437628 344263852 /nfs/dbraw/zinc/26/38/52/344263852.db2.gz NNRNXILRDKZVDB-UHFFFAOYSA-N 0 0 160.589 2.738 10 30 AFEERN CNc1ccc(C#N)c2ccccc12 165537058 344266106 /nfs/dbraw/zinc/26/61/06/344266106.db2.gz BCCRNPQYANMORN-UHFFFAOYSA-N 0 0 182.226 2.753 10 30 AFEERN N#C[C@@H]1CCC=CCCC1 165587794 344266360 /nfs/dbraw/zinc/26/63/60/344266360.db2.gz FRCRJGJEOUZQTC-SECBINFHSA-N 0 0 135.210 2.646 10 30 AFEERN N#C[C@H]1CCC=CCCC1 165587658 344266482 /nfs/dbraw/zinc/26/64/82/344266482.db2.gz FRCRJGJEOUZQTC-VIFPVBQESA-N 0 0 135.210 2.646 10 30 AFEERN N#Cc1ccc(SC(F)F)cc1 165710237 344267755 /nfs/dbraw/zinc/26/77/55/344267755.db2.gz KMKCSCUIOKJJKC-UHFFFAOYSA-N 0 0 185.198 2.873 10 30 AFEERN CCn1cc(CC#N)c2ccccc21 165903615 344272419 /nfs/dbraw/zinc/27/24/19/344272419.db2.gz LRYZXQXQTXAWBW-UHFFFAOYSA-N 0 0 184.242 2.727 10 30 AFEERN Fc1ccc(Cl)c(CS)c1 165948827 344272692 /nfs/dbraw/zinc/27/26/92/344272692.db2.gz GPJFLTBGNBOUBV-UHFFFAOYSA-N 0 0 176.643 2.909 10 30 AFEERN O/N=C\c1cc2ccccc2s1 165963702 344272806 /nfs/dbraw/zinc/27/28/06/344272806.db2.gz UQRGZGDKRKOCTI-POHAHGRESA-N 0 0 177.228 2.709 10 30 AFEERN CC(C)(C)c1ccc(CC=O)s1 165980204 344273359 /nfs/dbraw/zinc/27/33/59/344273359.db2.gz DGYRUACFEVZDHC-UHFFFAOYSA-N 0 0 182.288 2.787 10 30 AFEERN C=C(C)Cc1ccc(C)cc1O 166074725 344274212 /nfs/dbraw/zinc/27/42/12/344274212.db2.gz QYLJSXJINNZPGN-UHFFFAOYSA-N 0 0 162.232 2.819 10 30 AFEERN CC(C)(C)c1ccc([C@H](N)C#N)s1 166120456 344274634 /nfs/dbraw/zinc/27/46/34/344274634.db2.gz HBCLJTKLDHWVHA-SSDOTTSWSA-N 0 0 194.303 2.569 10 30 AFEERN CC(C)(C)c1ccc([C@@H](N)C#N)s1 166120571 344274766 /nfs/dbraw/zinc/27/47/66/344274766.db2.gz HBCLJTKLDHWVHA-ZETCQYMHSA-N 0 0 194.303 2.569 10 30 AFEERN C=CC[C@@](C)(O)c1ccc(C)s1 166176715 344275909 /nfs/dbraw/zinc/27/59/09/344275909.db2.gz XKGYTHKKKGHKFP-SNVBAGLBSA-N 0 0 182.288 2.840 10 30 AFEERN C=CC[C@](C)(O)c1ccc(C)s1 166176843 344275997 /nfs/dbraw/zinc/27/59/97/344275997.db2.gz XKGYTHKKKGHKFP-JTQLQIEISA-N 0 0 182.288 2.840 10 30 AFEERN CC[C@H](C#N)N1CC[C@H](C(C)(C)C)C1 166192609 344276354 /nfs/dbraw/zinc/27/63/54/344276354.db2.gz XZRQNCRPIFAAOB-WDEREUQCSA-N 0 0 194.322 2.657 10 30 AFEERN CC[C@@H](C#N)N1CC[C@H](C(C)(C)C)C1 166192508 344276446 /nfs/dbraw/zinc/27/64/46/344276446.db2.gz XZRQNCRPIFAAOB-QWRGUYRKSA-N 0 0 194.322 2.657 10 30 AFEERN C#CCCCCCCCC=O 166223125 344277080 /nfs/dbraw/zinc/27/70/80/344277080.db2.gz NLWWQVPUYZRMKI-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN C=CCn1ccc2c(OC)cccc21 166426251 344281532 /nfs/dbraw/zinc/28/15/32/344281532.db2.gz GASXLIUUOZLNQK-UHFFFAOYSA-N 0 0 187.242 2.836 10 30 AFEERN CCCC[C@]1(C#N)CCCS1 166449204 344281864 /nfs/dbraw/zinc/28/18/64/344281864.db2.gz JABLNEMYESFVDT-SECBINFHSA-N 0 0 169.293 2.966 10 30 AFEERN CCCC[C@@]1(C#N)CCCS1 166449311 344282174 /nfs/dbraw/zinc/28/21/74/344282174.db2.gz JABLNEMYESFVDT-VIFPVBQESA-N 0 0 169.293 2.966 10 30 AFEERN C#CC(=O)c1ccc(Cl)cc1Cl 166596640 344285591 /nfs/dbraw/zinc/28/55/91/344285591.db2.gz VLRGTYFVBJHMJR-UHFFFAOYSA-N 0 0 199.036 2.809 10 30 AFEERN CC1(C)[C@H]2CC[C@H](CC#N)[C@@H]1C2 166784483 344289191 /nfs/dbraw/zinc/28/91/91/344289191.db2.gz SMLXBNXTLBODMZ-UTLUCORTSA-N 0 0 163.264 2.972 10 30 AFEERN CO/N=C(\C)c1ccc(C)cc1C 166870977 344291156 /nfs/dbraw/zinc/29/11/56/344291156.db2.gz MTIRSUNAJGSPMD-ZRDIBKRKSA-N 0 0 177.247 2.674 10 30 AFEERN C#CCCC[C@@]1(C)CCC(=O)C1 166870610 344291182 /nfs/dbraw/zinc/29/11/82/344291182.db2.gz MEPOCIJFYDEFCB-NSHDSACASA-N 0 0 164.248 2.549 10 30 AFEERN C#CCCC[C@]1(C)CCC(=O)C1 166870707 344291252 /nfs/dbraw/zinc/29/12/52/344291252.db2.gz MEPOCIJFYDEFCB-LLVKDONJSA-N 0 0 164.248 2.549 10 30 AFEERN CC#CCC[C@@]1(C)CCC(=O)C1 166870924 344291329 /nfs/dbraw/zinc/29/13/29/344291329.db2.gz REGHQOQWHREUPZ-NSHDSACASA-N 0 0 164.248 2.549 10 30 AFEERN CC#CCC[C@]1(C)CCC(=O)C1 166870834 344291368 /nfs/dbraw/zinc/29/13/68/344291368.db2.gz REGHQOQWHREUPZ-LLVKDONJSA-N 0 0 164.248 2.549 10 30 AFEERN CCC(CC)=N[S@@](=O)C(C)(C)C 167090852 344297098 /nfs/dbraw/zinc/29/70/98/344297098.db2.gz NEDGJWKNIJJCAL-GFCCVEGCSA-N 0 0 189.324 2.710 10 30 AFEERN CCC(CC)=N[S@](=O)C(C)(C)C 167090962 344297279 /nfs/dbraw/zinc/29/72/79/344297279.db2.gz NEDGJWKNIJJCAL-LBPRGKRZSA-N 0 0 189.324 2.710 10 30 AFEERN C=CCC[C@]1(C)CC[C@H](O)C1 167190233 344299609 /nfs/dbraw/zinc/29/96/09/344299609.db2.gz OTFQHWMOMWONIA-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC[C@]1(C)CC[C@@H](O)C1 167190375 344299633 /nfs/dbraw/zinc/29/96/33/344299633.db2.gz OTFQHWMOMWONIA-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC[C@@]1(C)CC[C@H](O)C1 167190141 344299732 /nfs/dbraw/zinc/29/97/32/344299732.db2.gz OTFQHWMOMWONIA-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC[C@@]1(C)CC[C@@H](O)C1 167190305 344299779 /nfs/dbraw/zinc/29/97/79/344299779.db2.gz OTFQHWMOMWONIA-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(CC)C[C@@]1(C)CC[C@@H](O)C1 167213638 344300185 /nfs/dbraw/zinc/30/01/85/344300185.db2.gz FYDOVDJHUXSSHX-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN C=C(CC)C[C@@]1(C)CC[C@H](O)C1 167213437 344300309 /nfs/dbraw/zinc/30/03/09/344300309.db2.gz FYDOVDJHUXSSHX-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN C=C(CC)C[C@]1(C)CC[C@@H](O)C1 167213539 344300393 /nfs/dbraw/zinc/30/03/93/344300393.db2.gz FYDOVDJHUXSSHX-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN C=CC(=O)c1cccc(F)c1Cl 167339286 344302780 /nfs/dbraw/zinc/30/27/80/344302780.db2.gz KXURGYIFUVMVMI-UHFFFAOYSA-N 0 0 184.597 2.848 10 30 AFEERN C=CC(=O)c1ccccc1CC 167340879 344302950 /nfs/dbraw/zinc/30/29/50/344302950.db2.gz UFDGHUCJYOUMJH-UHFFFAOYSA-N 0 0 160.216 2.618 10 30 AFEERN C=CC(=O)c1ccc(OC(F)F)cc1 167340062 344303081 /nfs/dbraw/zinc/30/30/81/344303081.db2.gz IDLZASDEPNMRFY-UHFFFAOYSA-N 0 0 198.168 2.657 10 30 AFEERN C=CC(=O)c1cc2c(s1)CCCC2 167339744 344303084 /nfs/dbraw/zinc/30/30/84/344303084.db2.gz QAFKCUYGTBKLKD-UHFFFAOYSA-N 0 0 192.283 2.996 10 30 AFEERN C=CC(=O)c1c(F)ccc(C)c1F 167341437 344303103 /nfs/dbraw/zinc/30/31/03/344303103.db2.gz DJACKZOPIHCPQI-UHFFFAOYSA-N 0 0 182.169 2.642 10 30 AFEERN C=CC(=O)Cc1cc(C)ccc1C 167357402 344303411 /nfs/dbraw/zinc/30/34/11/344303411.db2.gz PVGXUPPATBVQSZ-UHFFFAOYSA-N 0 0 174.243 2.601 10 30 AFEERN C=CC(=O)c1c(C)oc(C)c1C 167368917 344303482 /nfs/dbraw/zinc/30/34/82/344303482.db2.gz ATZKZAIHGQGLNX-UHFFFAOYSA-N 0 0 164.204 2.574 10 30 AFEERN C=CC(=O)C1(CC)CCCC1 167359506 344303655 /nfs/dbraw/zinc/30/36/55/344303655.db2.gz ABQINORPSLJWNP-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC(=O)c1cccc(OC(F)F)c1 167357733 344303656 /nfs/dbraw/zinc/30/36/56/344303656.db2.gz WAJCMWUEFAAISN-UHFFFAOYSA-N 0 0 198.168 2.657 10 30 AFEERN C=CC(=O)c1cccc(C)c1F 167378478 344303974 /nfs/dbraw/zinc/30/39/74/344303974.db2.gz LZGNDDDMGQACSU-UHFFFAOYSA-N 0 0 164.179 2.503 10 30 AFEERN C=CC(=O)c1cccc(OC(C)C)c1 167376307 344304004 /nfs/dbraw/zinc/30/40/04/344304004.db2.gz IEFHZFBGJCSKTD-UHFFFAOYSA-N 0 0 190.242 2.843 10 30 AFEERN C=CC(=O)c1cc(C)ccc1F 167371231 344304023 /nfs/dbraw/zinc/30/40/23/344304023.db2.gz DOANUJGIRPIOKV-UHFFFAOYSA-N 0 0 164.179 2.503 10 30 AFEERN C=CC[C@@H](O)c1cc(C)oc1C 167454244 344305246 /nfs/dbraw/zinc/30/52/46/344305246.db2.gz BBTTVIMOOXMSHT-SNVBAGLBSA-N 0 0 166.220 2.506 10 30 AFEERN C=CC[C@H](O)c1cc(C)oc1C 167454359 344305841 /nfs/dbraw/zinc/30/58/41/344305841.db2.gz BBTTVIMOOXMSHT-JTQLQIEISA-N 0 0 166.220 2.506 10 30 AFEERN C=C[C@]1(O)CC[C@H](C)c2ccccc21 167474206 344306216 /nfs/dbraw/zinc/30/62/16/344306216.db2.gz JWQNPVJVKQNQCV-GWCFXTLKSA-N 0 0 188.270 2.958 10 30 AFEERN C=C[C@@]1(O)CC[C@@H](C)c2ccccc21 167473890 344306282 /nfs/dbraw/zinc/30/62/82/344306282.db2.gz JWQNPVJVKQNQCV-ZWNOBZJWSA-N 0 0 188.270 2.958 10 30 AFEERN C=C[C@]1(O)CC[C@@H](C)c2ccccc21 167474104 344306386 /nfs/dbraw/zinc/30/63/86/344306386.db2.gz JWQNPVJVKQNQCV-MFKMUULPSA-N 0 0 188.270 2.958 10 30 AFEERN C=C[C@@]1(O)CC[C@H](C)c2ccccc21 167473994 344306426 /nfs/dbraw/zinc/30/64/26/344306426.db2.gz JWQNPVJVKQNQCV-GXFFZTMASA-N 0 0 188.270 2.958 10 30 AFEERN Cc1cccc(C)c1CCC#N 167472605 344306472 /nfs/dbraw/zinc/30/64/72/344306472.db2.gz AZPQZXRAYKEUKM-UHFFFAOYSA-N 0 0 159.232 2.760 10 30 AFEERN O=C(C1=CCCCO1)c1ccsc1 167501508 344306725 /nfs/dbraw/zinc/30/67/25/344306725.db2.gz ANSIPGBCECKINO-UHFFFAOYSA-N 0 0 194.255 2.625 10 30 AFEERN O=C(C1=CCCCO1)c1cccs1 167500440 344306824 /nfs/dbraw/zinc/30/68/24/344306824.db2.gz QUMSWUVPNMYIHE-UHFFFAOYSA-N 0 0 194.255 2.625 10 30 AFEERN O=C(C1=CCCCO1)c1ccccc1 167502572 344306844 /nfs/dbraw/zinc/30/68/44/344306844.db2.gz PHQRXEOBRHXSJE-UHFFFAOYSA-N 0 0 188.226 2.564 10 30 AFEERN C[C@H]1CC[C@@]2(CO2)c2ccccc21 167535549 344307179 /nfs/dbraw/zinc/30/71/79/344307179.db2.gz QUVBQHMTPQSPCY-JOYOIKCWSA-N 0 0 174.243 2.809 10 30 AFEERN C[C@@H]1CC[C@@]2(CO2)c2ccccc21 167535440 344307207 /nfs/dbraw/zinc/30/72/07/344307207.db2.gz QUVBQHMTPQSPCY-BXKDBHETSA-N 0 0 174.243 2.809 10 30 AFEERN C[C@@H]1CC[C@]2(CO2)c2ccccc21 167535661 344307667 /nfs/dbraw/zinc/30/76/67/344307667.db2.gz QUVBQHMTPQSPCY-SKDRFNHKSA-N 0 0 174.243 2.809 10 30 AFEERN CO[C@@H](C)CC1(C#N)CCCCC1 167655324 344310671 /nfs/dbraw/zinc/31/06/71/344310671.db2.gz FRMFIGDULNHDBP-JTQLQIEISA-N 0 0 181.279 2.885 10 30 AFEERN CO[C@H](C)CC1(C#N)CCCCC1 167655437 344310692 /nfs/dbraw/zinc/31/06/92/344310692.db2.gz FRMFIGDULNHDBP-SNVBAGLBSA-N 0 0 181.279 2.885 10 30 AFEERN C#CCC(=O)c1cc(C)cc(C)c1 167692336 344311535 /nfs/dbraw/zinc/31/15/35/344311535.db2.gz DTSHEZBHTXNFFA-UHFFFAOYSA-N 0 0 172.227 2.509 10 30 AFEERN C#CCC(=O)c1cccc(F)c1Cl 167693074 344311576 /nfs/dbraw/zinc/31/15/76/344311576.db2.gz XUUWRAHTSNEWSV-UHFFFAOYSA-N 0 0 196.608 2.685 10 30 AFEERN C#CCC(=O)CC1CCCCCC1 167693782 344311582 /nfs/dbraw/zinc/31/15/82/344311582.db2.gz LYLXEVNAYOQKIP-UHFFFAOYSA-N 0 0 178.275 2.939 10 30 AFEERN C#CCC(=O)c1ccc(Cl)c(C)c1 167708096 344312229 /nfs/dbraw/zinc/31/22/29/344312229.db2.gz PKISHSWIWWQVOR-UHFFFAOYSA-N 0 0 192.645 2.854 10 30 AFEERN C#CCC(=O)c1cc(C)cc(Cl)c1 167704623 344311944 /nfs/dbraw/zinc/31/19/44/344311944.db2.gz BDECVOUSGYEJGC-UHFFFAOYSA-N 0 0 192.645 2.854 10 30 AFEERN C#CCC(=O)c1cc(Cl)ccc1C 167702257 344312024 /nfs/dbraw/zinc/31/20/24/344312024.db2.gz HIIWQZZOWIZLDD-UHFFFAOYSA-N 0 0 192.645 2.854 10 30 AFEERN C#CCC(=O)c1cc(C)ccc1C 167702623 344312032 /nfs/dbraw/zinc/31/20/32/344312032.db2.gz MNMXADWFFDZLKJ-UHFFFAOYSA-N 0 0 172.227 2.509 10 30 AFEERN C=C=CC(=O)c1cc(C)c(C)s1 167705294 344312042 /nfs/dbraw/zinc/31/20/42/344312042.db2.gz HZVKTOXKNHRXNT-UHFFFAOYSA-N 0 0 178.256 2.571 10 30 AFEERN C=C=CC(=O)c1c(F)cccc1Cl 167705649 344312108 /nfs/dbraw/zinc/31/21/08/344312108.db2.gz ZFFWPMFIXQSPSJ-UHFFFAOYSA-N 0 0 196.608 2.685 10 30 AFEERN C#CCC(=O)c1cccc(C)c1C 167699692 344312136 /nfs/dbraw/zinc/31/21/36/344312136.db2.gz MGQXUSMJXPSISC-UHFFFAOYSA-N 0 0 172.227 2.509 10 30 AFEERN C#CCC(=O)c1cccc(C)c1Cl 167708336 344312169 /nfs/dbraw/zinc/31/21/69/344312169.db2.gz DHEDLWZYUADWCU-UHFFFAOYSA-N 0 0 192.645 2.854 10 30 AFEERN C=C=CC(=O)c1ccc(Cl)s1 167708918 344312225 /nfs/dbraw/zinc/31/22/25/344312225.db2.gz SANDTEGRWCLEAC-UHFFFAOYSA-N 0 0 184.647 2.608 10 30 AFEERN C#CCC(=O)c1ccc(C)c(Cl)c1 167714577 344312454 /nfs/dbraw/zinc/31/24/54/344312454.db2.gz ZLZOBLICKTZHAC-UHFFFAOYSA-N 0 0 192.645 2.854 10 30 AFEERN C#CCC(=O)c1ccc(C)c(C)c1 167714229 344312467 /nfs/dbraw/zinc/31/24/67/344312467.db2.gz ZYEJNCRCYGQHGZ-UHFFFAOYSA-N 0 0 172.227 2.509 10 30 AFEERN C#CCC(=O)CC1CCCCC1 167711501 344312490 /nfs/dbraw/zinc/31/24/90/344312490.db2.gz SDDKRNZPNQNUIT-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN C#CCC(=O)c1ccc(C)cc1C 167711271 344312663 /nfs/dbraw/zinc/31/26/63/344312663.db2.gz VZPRCXSCFOZVBQ-UHFFFAOYSA-N 0 0 172.227 2.509 10 30 AFEERN CC#CCC(=O)c1cc(C)ccc1C 167882497 344315918 /nfs/dbraw/zinc/31/59/18/344315918.db2.gz JOJSBSRVQLXUFT-UHFFFAOYSA-N 0 0 186.254 2.900 10 30 AFEERN CC=C=CC(=O)c1cc(C)c(C)s1 167885084 344315944 /nfs/dbraw/zinc/31/59/44/344315944.db2.gz NEFKYXCEFLZKTK-UHFFFAOYSA-N 0 0 192.283 2.961 10 30 AFEERN CC#CCC(=O)C1C(C)(C)C1(C)C 167878504 344315949 /nfs/dbraw/zinc/31/59/49/344315949.db2.gz NSRVOQFTPKESOG-UHFFFAOYSA-N 0 0 178.275 2.651 10 30 AFEERN CC#CCC(=O)C1(C)CCCC1 167877634 344315977 /nfs/dbraw/zinc/31/59/77/344315977.db2.gz VEHRNAKGTHFREE-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN CC=C=CC(=O)c1c(C)oc(C)c1C 167889586 344316010 /nfs/dbraw/zinc/31/60/10/344316010.db2.gz DLHFITMNAXOSKQ-UHFFFAOYSA-N 0 0 190.242 2.801 10 30 AFEERN CC=C=CC(=O)c1ccc(C)s1 167888406 344316047 /nfs/dbraw/zinc/31/60/47/344316047.db2.gz HXHSPOWCJAHRFF-UHFFFAOYSA-N 0 0 178.256 2.653 10 30 AFEERN CC#CCC(=O)c1ccccc1CC 167875440 344316218 /nfs/dbraw/zinc/31/62/18/344316218.db2.gz AUQINJCOPMYQOW-UHFFFAOYSA-N 0 0 186.254 2.845 10 30 AFEERN CC=C=CC(=O)c1sccc1Cl 167878620 344316274 /nfs/dbraw/zinc/31/62/74/344316274.db2.gz IWEJFCUYMYEVLM-UHFFFAOYSA-N 0 0 198.674 2.998 10 30 AFEERN CC=C=CC(=O)c1ccc(Cl)s1 167888897 344316303 /nfs/dbraw/zinc/31/63/03/344316303.db2.gz ACUTVQPDEXDVQQ-UHFFFAOYSA-N 0 0 198.674 2.998 10 30 AFEERN C=C(C)CC(=O)c1ccc(C)c(N)c1 167920729 344317121 /nfs/dbraw/zinc/31/71/21/344317121.db2.gz FCMIHVOFPBNPHF-UHFFFAOYSA-N 0 0 189.258 2.726 10 30 AFEERN C=C(C)CCOc1cccc(C#N)c1 167995441 344317992 /nfs/dbraw/zinc/31/79/92/344317992.db2.gz DLHYXROWJUBZSL-UHFFFAOYSA-N 0 0 187.242 2.903 10 30 AFEERN C=C(C)CCOc1ccccc1C#N 167997768 344318652 /nfs/dbraw/zinc/31/86/52/344318652.db2.gz XMUDADGEKBEYDJ-UHFFFAOYSA-N 0 0 187.242 2.903 10 30 AFEERN CSc1cc(F)c(CC#N)cc1C 168007347 344318665 /nfs/dbraw/zinc/31/86/65/344318665.db2.gz KDIMJTYQMGMDPN-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN C=C(Cl)CNc1cccc(C)n1 168012305 344318886 /nfs/dbraw/zinc/31/88/86/344318886.db2.gz PEPZHMYOUGQOFX-UHFFFAOYSA-N 0 0 182.654 2.554 10 30 AFEERN C=C(Cl)CNc1nc(C)cs1 168011068 344319016 /nfs/dbraw/zinc/31/90/16/344319016.db2.gz VNDQEDYEMAOKJT-UHFFFAOYSA-N 0 0 188.683 2.616 10 30 AFEERN C=C(Cl)CNc1ncccc1C 168016182 344319146 /nfs/dbraw/zinc/31/91/46/344319146.db2.gz MLQGUFLQQSWHBY-UHFFFAOYSA-N 0 0 182.654 2.554 10 30 AFEERN O=C(C1=CCCO1)C1CCCCCC1 168095272 344320906 /nfs/dbraw/zinc/32/09/06/344320906.db2.gz AYLLNTWNCNHJLJ-UHFFFAOYSA-N 0 0 194.274 2.830 10 30 AFEERN Cc1cscc1C(=O)C1=CCCO1 168104663 344320980 /nfs/dbraw/zinc/32/09/80/344320980.db2.gz VFBQHWYLCUVMBV-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN C=C1c2ccccc2OC[C@H]1C 168120849 344321054 /nfs/dbraw/zinc/32/10/54/344321054.db2.gz CVDKCIIBNPFUPY-MRVPVSSYSA-N 0 0 160.216 2.728 10 30 AFEERN C=C1c2ccccc2OC[C@@H]1C 168120949 344321150 /nfs/dbraw/zinc/32/11/50/344321150.db2.gz CVDKCIIBNPFUPY-QMMMGPOBSA-N 0 0 160.216 2.728 10 30 AFEERN O=C(C=C1CCCCC1)C1=CCCO1 168113556 344321313 /nfs/dbraw/zinc/32/13/13/344321313.db2.gz NJRCTERBQCUASN-UHFFFAOYSA-N 0 0 192.258 2.750 10 30 AFEERN C=C(Cl)CNc1cccc(N)c1C 168167094 344322433 /nfs/dbraw/zinc/32/24/33/344322433.db2.gz NUMQEOLMMNGCIQ-UHFFFAOYSA-N 0 0 196.681 2.742 10 30 AFEERN C=C(Cl)CNc1cc(C)cc(N)c1 168170638 344322929 /nfs/dbraw/zinc/32/29/29/344322929.db2.gz FMIUVPFOSBKMHC-UHFFFAOYSA-N 0 0 196.681 2.742 10 30 AFEERN C=C(Cl)CNc1cc(C)ccc1N 168172213 344323103 /nfs/dbraw/zinc/32/31/03/344323103.db2.gz DWQSJQZVAFOCRB-UHFFFAOYSA-N 0 0 196.681 2.742 10 30 AFEERN C=C(Cl)CNc1ccc(C)cc1N 168170038 344323244 /nfs/dbraw/zinc/32/32/44/344323244.db2.gz PTLUZWPAMOJLGJ-UHFFFAOYSA-N 0 0 196.681 2.742 10 30 AFEERN C=C(Cl)CNc1cc(N)ccc1C 168179679 344323479 /nfs/dbraw/zinc/32/34/79/344323479.db2.gz JRNOLGAYJSGCFO-UHFFFAOYSA-N 0 0 196.681 2.742 10 30 AFEERN C=C(Cl)CNc1ccc(N)c(C)c1 168179463 344323498 /nfs/dbraw/zinc/32/34/98/344323498.db2.gz CCORZOJGZZRYEY-UHFFFAOYSA-N 0 0 196.681 2.742 10 30 AFEERN C=C(Cl)CNc1c(C)cccc1N 168180254 344323527 /nfs/dbraw/zinc/32/35/27/344323527.db2.gz UMLUUWCYHQRXOS-UHFFFAOYSA-N 0 0 196.681 2.742 10 30 AFEERN C=C(Cl)CNc1ccc(C)c(N)c1 168178729 344323655 /nfs/dbraw/zinc/32/36/55/344323655.db2.gz RQWQVNDWMFZCGH-UHFFFAOYSA-N 0 0 196.681 2.742 10 30 AFEERN C=C(C)CC(=O)c1ccc(N)c(C)c1 168194031 344324130 /nfs/dbraw/zinc/32/41/30/344324130.db2.gz ISTDPTLJSWPMST-UHFFFAOYSA-N 0 0 189.258 2.726 10 30 AFEERN CCCCCCCON=O 168249485 344326472 /nfs/dbraw/zinc/32/64/72/344326472.db2.gz IAHLQSRLEFUEMK-UHFFFAOYSA-N 0 0 145.202 2.655 10 30 AFEERN CC#CCSc1ccc(C=O)cc1 168238335 344326527 /nfs/dbraw/zinc/32/65/27/344326527.db2.gz IBFFFAFYWXVOFR-UHFFFAOYSA-N 0 0 190.267 2.615 10 30 AFEERN C#CCCC(=O)c1ccc(C)cc1F 168273145 344326792 /nfs/dbraw/zinc/32/67/92/344326792.db2.gz DTQOKQKJGADSDD-UHFFFAOYSA-N 0 0 190.217 2.730 10 30 AFEERN C#CCCC(=O)c1cccc(F)c1F 168267026 344326865 /nfs/dbraw/zinc/32/68/65/344326865.db2.gz SZENCZXFUQLDTR-UHFFFAOYSA-N 0 0 194.180 2.561 10 30 AFEERN C#CCCC(=O)c1cc(C)ccc1F 168276474 344326962 /nfs/dbraw/zinc/32/69/62/344326962.db2.gz NLVYHGXVVUXBON-UHFFFAOYSA-N 0 0 190.217 2.730 10 30 AFEERN C#CCCC(=O)C1(C)CCCC1 168264056 344327055 /nfs/dbraw/zinc/32/70/55/344327055.db2.gz BFIWGQZKZSCBKJ-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN C#CCCC(=O)c1cccc(C)c1F 168279967 344327117 /nfs/dbraw/zinc/32/71/17/344327117.db2.gz BVRMMPIVNNFCAQ-UHFFFAOYSA-N 0 0 190.217 2.730 10 30 AFEERN CCc1cccc(C2=CC(=O)CC2)c1 168294465 344327560 /nfs/dbraw/zinc/32/75/60/344327560.db2.gz JPNCVKMEYVMDRG-UHFFFAOYSA-N 0 0 186.254 2.995 10 30 AFEERN CCC1(C(=O)C2=CCCO2)CCCC1 168360879 344329223 /nfs/dbraw/zinc/32/92/23/344329223.db2.gz CHPNPUOMYPZOCI-UHFFFAOYSA-N 0 0 194.274 2.830 10 30 AFEERN Cc1ccc(C(=O)C2=CCCO2)s1 168360351 344329267 /nfs/dbraw/zinc/32/92/67/344329267.db2.gz OTRVAQVTRBIHPF-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN Cc1ccsc1C(=O)C1=CCCO1 168376528 344329275 /nfs/dbraw/zinc/32/92/75/344329275.db2.gz DQLCBLJWVPJAGJ-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN CCCc1cc(C#N)c(Cl)nc1C 168390718 344329984 /nfs/dbraw/zinc/32/99/84/344329984.db2.gz NZHDEMRBBZDREI-UHFFFAOYSA-N 0 0 194.665 2.868 10 30 AFEERN C=CCCNc1ccc(C)cc1N 168446486 344330679 /nfs/dbraw/zinc/33/06/79/344330679.db2.gz OYQYWUAWVCQOHC-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C=CCCNc1c(F)cc(N)cc1F 168443028 344330700 /nfs/dbraw/zinc/33/07/00/344330700.db2.gz QTKUVFLWOXFTQV-UHFFFAOYSA-N 0 0 198.216 2.535 10 30 AFEERN C=CCCNc1cccc(Cl)c1N 168456417 344331471 /nfs/dbraw/zinc/33/14/71/344331471.db2.gz RCMDPMZDCCWPCP-UHFFFAOYSA-N 0 0 196.681 2.910 10 30 AFEERN C#CC(=O)CC1CCCCCC1 168733462 344335647 /nfs/dbraw/zinc/33/56/47/344335647.db2.gz JRLQVWSNPKGCDD-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN C#CC(=O)c1cc2sccc2s1 168739241 344335980 /nfs/dbraw/zinc/33/59/80/344335980.db2.gz XJYVQJVNOBORPL-UHFFFAOYSA-N 0 0 192.264 2.779 10 30 AFEERN C#CC(=O)c1cc(Cl)cc(Cl)c1 168743621 344336083 /nfs/dbraw/zinc/33/60/83/344336083.db2.gz LZTSIKSKXSDPEZ-UHFFFAOYSA-N 0 0 199.036 2.809 10 30 AFEERN C#CC(=O)c1c(Cl)cccc1Cl 168741267 344336146 /nfs/dbraw/zinc/33/61/46/344336146.db2.gz NEVZXOKGCIBQLE-UHFFFAOYSA-N 0 0 199.036 2.809 10 30 AFEERN C#CC(=O)c1cc(Cl)ccc1Cl 168740978 344336199 /nfs/dbraw/zinc/33/61/99/344336199.db2.gz NJGQIKSEFMQDPJ-UHFFFAOYSA-N 0 0 199.036 2.809 10 30 AFEERN C#CC(=O)c1csc2ccccc12 168764658 344336415 /nfs/dbraw/zinc/33/64/15/344336415.db2.gz DWPVTIGGORESID-UHFFFAOYSA-N 0 0 186.235 2.717 10 30 AFEERN C#CC(=O)c1cc2ccccc2s1 168768783 344336681 /nfs/dbraw/zinc/33/66/81/344336681.db2.gz CWKKXLAUQJYACE-UHFFFAOYSA-N 0 0 186.235 2.717 10 30 AFEERN C=C[C@H](C)Nc1ccc(C(C)=O)cc1 168763713 344336706 /nfs/dbraw/zinc/33/67/06/344336706.db2.gz FZKKMQCGLRIUKR-VIFPVBQESA-N 0 0 189.258 2.876 10 30 AFEERN C=C[C@@H](C)Nc1ccc(C(C)=O)cc1 168763805 344336772 /nfs/dbraw/zinc/33/67/72/344336772.db2.gz FZKKMQCGLRIUKR-SECBINFHSA-N 0 0 189.258 2.876 10 30 AFEERN C=CCCNc1ccc(Cl)cn1 168864274 344338656 /nfs/dbraw/zinc/33/86/56/344338656.db2.gz POTGZLALNFMIIT-UHFFFAOYSA-N 0 0 182.654 2.723 10 30 AFEERN N#Cc1ccc(NCC2CC2)cc1F 168984085 344341422 /nfs/dbraw/zinc/34/14/22/344341422.db2.gz PSQUPRCGEHETFD-UHFFFAOYSA-N 0 0 190.221 2.519 10 30 AFEERN CCCNc1ccc(C#N)c(F)c1 168982825 344341537 /nfs/dbraw/zinc/34/15/37/344341537.db2.gz TUTJQQHQPRASOL-UHFFFAOYSA-N 0 0 178.210 2.519 10 30 AFEERN C=CC(=O)c1sccc1Cl 168969072 344341542 /nfs/dbraw/zinc/34/15/42/344341542.db2.gz ATCFIYHUMCFOHD-UHFFFAOYSA-N 0 0 172.636 2.770 10 30 AFEERN CC(C)(C)Nc1ccc(C#N)c(F)c1 168983023 344341548 /nfs/dbraw/zinc/34/15/48/344341548.db2.gz NKNBTPFBXBDZGG-UHFFFAOYSA-N 0 0 192.237 2.908 10 30 AFEERN C=CC(=O)c1cc(C)c(F)cc1F 168979477 344341592 /nfs/dbraw/zinc/34/15/92/344341592.db2.gz JAKWGJCKZROPAZ-UHFFFAOYSA-N 0 0 182.169 2.642 10 30 AFEERN CC[C@H](C)Nc1ccc(C#N)c(F)c1 168983451 344341684 /nfs/dbraw/zinc/34/16/84/344341684.db2.gz MBBBNRRFDSILST-QMMMGPOBSA-N 0 0 192.237 2.908 10 30 AFEERN CC(C)Nc1ccc(C#N)c(F)c1 168983161 344341759 /nfs/dbraw/zinc/34/17/59/344341759.db2.gz GTQLSKSPNWDRSH-UHFFFAOYSA-N 0 0 178.210 2.518 10 30 AFEERN CC(C)=CC(=O)[C@@H](C)C1CC1 169158461 344347354 /nfs/dbraw/zinc/34/73/54/344347354.db2.gz WDRZIXSPEQWHJS-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)c1cc2c(s1)CCC2 168984498 344341997 /nfs/dbraw/zinc/34/19/97/344341997.db2.gz HYQUNGHETUHPTL-UHFFFAOYSA-N 0 0 178.256 2.606 10 30 AFEERN C=CC(=O)c1ccccc1OC(F)F 168987611 344342006 /nfs/dbraw/zinc/34/20/06/344342006.db2.gz GVJXUSCQXSUHDT-UHFFFAOYSA-N 0 0 198.168 2.657 10 30 AFEERN N#Cc1ccc(NC2CCC2)cc1F 168994502 344342097 /nfs/dbraw/zinc/34/20/97/344342097.db2.gz WBLJZYVOHOJVRI-UHFFFAOYSA-N 0 0 190.221 2.662 10 30 AFEERN CCCCNc1ccc(C#N)c(F)c1 168984626 344342119 /nfs/dbraw/zinc/34/21/19/344342119.db2.gz SPTMTVSMXUOOCL-UHFFFAOYSA-N 0 0 192.237 2.909 10 30 AFEERN CC(C)N(C)c1ccc(C#N)c(F)c1 168985300 344342204 /nfs/dbraw/zinc/34/22/04/344342204.db2.gz DRVPFOFZXMJJCR-UHFFFAOYSA-N 0 0 192.237 2.542 10 30 AFEERN CCOCc1ccc(C#N)cc1Cl 169025677 344342874 /nfs/dbraw/zinc/34/28/74/344342874.db2.gz QPTYUECEZOBFFF-UHFFFAOYSA-N 0 0 195.649 2.748 10 30 AFEERN N#Cc1cccc2nc(Cl)ccc12 169034301 344342900 /nfs/dbraw/zinc/34/29/00/344342900.db2.gz GDHXEZNMQARBGM-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 in-vitro AFEERN C=CC[C@H](C)Nc1ccc(C)cc1N 169049382 344342906 /nfs/dbraw/zinc/34/29/06/344342906.db2.gz JQECZDJTQMSTGE-JTQLQIEISA-N 0 0 190.290 2.954 10 30 AFEERN C=CC[C@@H](C)Nc1ccc(C)cc1N 169049465 344342987 /nfs/dbraw/zinc/34/29/87/344342987.db2.gz JQECZDJTQMSTGE-SNVBAGLBSA-N 0 0 190.290 2.954 10 30 AFEERN C=CC[C@H](C)Nc1cccc(N)c1C 169044807 344343152 /nfs/dbraw/zinc/34/31/52/344343152.db2.gz VVBHWPZJFQISAZ-VIFPVBQESA-N 0 0 190.290 2.954 10 30 AFEERN C=CC[C@@H](C)Nc1cccc(N)c1C 169044891 344343199 /nfs/dbraw/zinc/34/31/99/344343199.db2.gz VVBHWPZJFQISAZ-SECBINFHSA-N 0 0 190.290 2.954 10 30 AFEERN CC#CC[C@H](O)c1cc(C)ccc1C 169070312 344343370 /nfs/dbraw/zinc/34/33/70/344343370.db2.gz LBJJWSAUAHSNGF-ZDUSSCGKSA-N 0 0 188.270 2.750 10 30 AFEERN CC#CC[C@@H](O)c1cc(C)ccc1C 169070392 344343401 /nfs/dbraw/zinc/34/34/01/344343401.db2.gz LBJJWSAUAHSNGF-CYBMUJFWSA-N 0 0 188.270 2.750 10 30 AFEERN CC#CC[C@@H](O)c1cc(C)c(C)s1 169075479 344343834 /nfs/dbraw/zinc/34/38/34/344343834.db2.gz BZWYZRVDGRGVKK-SNVBAGLBSA-N 0 0 194.299 2.812 10 30 AFEERN CC#CC[C@H](O)c1cc(C)cc(C)c1 169076106 344343871 /nfs/dbraw/zinc/34/38/71/344343871.db2.gz PRNUVUOZUGJLJX-ZDUSSCGKSA-N 0 0 188.270 2.750 10 30 AFEERN CC#CC[C@@H](O)c1cc(C)cc(C)c1 169076203 344344023 /nfs/dbraw/zinc/34/40/23/344344023.db2.gz PRNUVUOZUGJLJX-CYBMUJFWSA-N 0 0 188.270 2.750 10 30 AFEERN CC#CC[C@H](O)c1cc(C)c(C)s1 169075391 344344053 /nfs/dbraw/zinc/34/40/53/344344053.db2.gz BZWYZRVDGRGVKK-JTQLQIEISA-N 0 0 194.299 2.812 10 30 AFEERN C=CCn1ccc2c(F)cccc21 169149354 344346670 /nfs/dbraw/zinc/34/66/70/344346670.db2.gz HANSUSFMQUANMF-UHFFFAOYSA-N 0 0 175.206 2.966 10 30 AFEERN CC#CCn1ccc2c(F)cccc21 169150470 344346759 /nfs/dbraw/zinc/34/67/59/344346759.db2.gz FAUABFMNTOMNFR-UHFFFAOYSA-N 0 0 187.217 2.804 10 30 AFEERN CC(C)=CC(=O)[C@@H](C)C(C)C 169149434 344346785 /nfs/dbraw/zinc/34/67/85/344346785.db2.gz YSVUQSYTZYYGRO-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)=CC(=O)[C@H](C)C(C)C 169149348 344346824 /nfs/dbraw/zinc/34/68/24/344346824.db2.gz YSVUQSYTZYYGRO-SECBINFHSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)=CC(=O)[C@H](C)C1CC1 169158522 344347234 /nfs/dbraw/zinc/34/72/34/344347234.db2.gz WDRZIXSPEQWHJS-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)[C@H]1C[C@H]1c1ccccc1 169173884 344347719 /nfs/dbraw/zinc/34/77/19/344347719.db2.gz KOCISKGKBXGBDL-RYUDHWBXSA-N 0 0 186.254 2.935 10 30 AFEERN C=C(C)C(=O)C1(C)CCCC1 169173435 344347760 /nfs/dbraw/zinc/34/77/60/344347760.db2.gz ATZALCAWQHSFKH-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1 169173637 344347767 /nfs/dbraw/zinc/34/77/67/344347767.db2.gz KOCISKGKBXGBDL-VXGBXAGGSA-N 0 0 186.254 2.935 10 30 AFEERN C=C(C)C(=O)c1cccc(F)c1F 169177195 344347769 /nfs/dbraw/zinc/34/77/69/344347769.db2.gz VPCATSHJCUIAGZ-UHFFFAOYSA-N 0 0 182.169 2.724 10 30 AFEERN C=C(C)C(=O)C1C(C)(C)C1(C)C 169174319 344347796 /nfs/dbraw/zinc/34/77/96/344347796.db2.gz RJLQTNWGYIDURM-UHFFFAOYSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)C(=O)CC1CCCC1 169176192 344347875 /nfs/dbraw/zinc/34/78/75/344347875.db2.gz UHNNZEKSNGNTSX-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 169173715 344347947 /nfs/dbraw/zinc/34/79/47/344347947.db2.gz KOCISKGKBXGBDL-NEPJUHHUSA-N 0 0 186.254 2.935 10 30 AFEERN C=C(C)C(=O)c1cc(C)oc1C 169188584 344348252 /nfs/dbraw/zinc/34/82/52/344348252.db2.gz INROUQPGTCUNMB-UHFFFAOYSA-N 0 0 164.204 2.655 10 30 AFEERN C=C(C)C(=O)c1c(C)oc(C)c1C 169186184 344348397 /nfs/dbraw/zinc/34/83/97/344348397.db2.gz LOMRESNBZIPYKH-UHFFFAOYSA-N 0 0 178.231 2.964 10 30 AFEERN C=C(C)C(=O)c1cc(C)ccc1F 169188497 344348415 /nfs/dbraw/zinc/34/84/15/344348415.db2.gz LXXPFUPMWCCENB-UHFFFAOYSA-N 0 0 178.206 2.893 10 30 AFEERN C=C(C)C(=O)c1cc2c(s1)CCC2 169188214 344348511 /nfs/dbraw/zinc/34/85/11/344348511.db2.gz BWJKGZUNDRTIBW-UHFFFAOYSA-N 0 0 192.283 2.996 10 30 AFEERN C=C(C)C(=O)c1cccc(C)c1F 169191701 344348520 /nfs/dbraw/zinc/34/85/20/344348520.db2.gz DMKJDGVFKBWOGS-UHFFFAOYSA-N 0 0 178.206 2.893 10 30 AFEERN C=C(C)C(=O)c1ccc(F)c(OC)c1 169190541 344348526 /nfs/dbraw/zinc/34/85/26/344348526.db2.gz MQIBSMVMCYLDAM-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=C(C)C(=O)c1ccc(C)c(OC)c1 169188879 344348558 /nfs/dbraw/zinc/34/85/58/344348558.db2.gz IADOOFRCHWKZLB-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=C(C)C(=O)Cc1ccc(F)c(F)c1 169187281 344348562 /nfs/dbraw/zinc/34/85/62/344348562.db2.gz TWOOHTUFCQCJBP-UHFFFAOYSA-N 0 0 196.196 2.653 10 30 AFEERN C=CC(=O)Cc1cccc(Cl)c1F 169276224 344350274 /nfs/dbraw/zinc/35/02/74/344350274.db2.gz BLRXSKKUGBYEFQ-UHFFFAOYSA-N 0 0 198.624 2.777 10 30 AFEERN CCc1cc(C)cc(C)c1C#N 169288149 344350289 /nfs/dbraw/zinc/35/02/89/344350289.db2.gz NUMJHLGFQWODDW-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN CC(=O)C=C(C)Nc1ccccc1C 169504927 344350781 /nfs/dbraw/zinc/35/07/81/344350781.db2.gz XUEFXWDJSSIJMC-CSKARUKUSA-N 0 0 189.258 2.900 10 30 AFEERN COc1cccc2cccc(C#N)c12 169657311 344351253 /nfs/dbraw/zinc/35/12/53/344351253.db2.gz QDWKPSWUNDCNSK-UHFFFAOYSA-N 0 0 183.210 2.720 10 30 AFEERN CCC(=O)/C(C)=C/C(C)C 169622774 344351392 /nfs/dbraw/zinc/35/13/92/344351392.db2.gz VUMJIHQXYKJTLT-SOFGYWHQSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(CCCO)C[Si](C)(C)C 196043564 344355405 /nfs/dbraw/zinc/35/54/05/344355405.db2.gz YUBRJXDZKNDHGY-UHFFFAOYSA-N 0 0 172.344 2.653 10 30 AFEERN CC=CC(=O)C=Cc1ccccc1 196179196 344356072 /nfs/dbraw/zinc/35/60/72/344356072.db2.gz WNTBKRXISRLGBZ-MDZDMXLPSA-N 0 0 172.227 2.845 10 30 AFEERN CCCCCC1=CC(=O)C(C)(C)O1 196184966 344356145 /nfs/dbraw/zinc/35/61/45/344356145.db2.gz JEIOZFLUEQXBDV-UHFFFAOYSA-N 0 0 182.263 2.829 10 30 AFEERN C=CCc1ccc2c(c1)CCCN2 196230714 344356464 /nfs/dbraw/zinc/35/64/64/344356464.db2.gz NXSGQZCYTCHCBO-UHFFFAOYSA-N 0 0 173.259 2.773 10 30 AFEERN CC#CCCCC(=O)CCCC 196262606 344356595 /nfs/dbraw/zinc/35/65/95/344356595.db2.gz DHZROFAHVHPYQJ-UHFFFAOYSA-N 0 0 166.264 2.939 10 30 AFEERN C[Si](C)(C)C#CC(=O)C1CCCC1 196249678 344356626 /nfs/dbraw/zinc/35/66/26/344356626.db2.gz TZYGKMOBSVPBHR-UHFFFAOYSA-N 0 0 194.350 2.627 10 30 AFEERN CC(C)(C#N)[Si](C)(C)C 196228695 344356668 /nfs/dbraw/zinc/35/66/68/344356668.db2.gz GARDQTDJOGFUOQ-UHFFFAOYSA-N 0 0 141.290 2.628 10 30 AFEERN C=CCC1=C(C)CCCC1=O 196397651 344357410 /nfs/dbraw/zinc/35/74/10/344357410.db2.gz MBFGPYWVZXMLIT-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=C(C)c1ccccc1C(=O)OC 196551060 344357536 /nfs/dbraw/zinc/35/75/36/344357536.db2.gz ZRTBSJRQGAMIDB-UHFFFAOYSA-N 0 0 176.215 2.506 10 30 AFEERN C=CCCCCC[C@H](O)C=C 196538304 344357571 /nfs/dbraw/zinc/35/75/71/344357571.db2.gz GVXDYGKHBMJCIQ-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN C#CCCCC#C[Si](C)(C)C 196528838 344357627 /nfs/dbraw/zinc/35/76/27/344357627.db2.gz YYCRLDUPIYMRIF-UHFFFAOYSA-N 0 0 164.324 2.671 10 30 AFEERN C=CCCCCC[C@@H](O)C=C 196538311 344357745 /nfs/dbraw/zinc/35/77/45/344357745.db2.gz GVXDYGKHBMJCIQ-JTQLQIEISA-N 0 0 154.253 2.670 10 30 AFEERN C=C(F)[C@@H](OC)c1ccccc1 196684387 344358372 /nfs/dbraw/zinc/35/83/72/344358372.db2.gz JFEHVJIWKGSIKJ-SNVBAGLBSA-N 0 0 166.195 2.857 10 30 AFEERN C=C(F)[C@H](OC)c1ccccc1 196684398 344358394 /nfs/dbraw/zinc/35/83/94/344358394.db2.gz JFEHVJIWKGSIKJ-JTQLQIEISA-N 0 0 166.195 2.857 10 30 AFEERN C=C(C)[C@]1(C)CCCCC1=O 196803232 344358859 /nfs/dbraw/zinc/35/88/59/344358859.db2.gz VPKGJGGVCVXMAX-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)[C@@]1(C)CCCCC1=O 196803848 344358937 /nfs/dbraw/zinc/35/89/37/344358937.db2.gz VPKGJGGVCVXMAX-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN N#Cc1c(Cl)cncc1N=[N+]=[N-] 197089789 344359518 /nfs/dbraw/zinc/35/95/18/344359518.db2.gz DQDAWMSLYXEYSN-UHFFFAOYSA-N 0 0 179.570 2.548 10 30 AFEERN C#C[Si](C)(C)CC[Si](C)(C)C#C 197405847 344359819 /nfs/dbraw/zinc/35/98/19/344359819.db2.gz ZQBSWAPGKZOLHT-UHFFFAOYSA-N 0 0 194.426 2.748 10 30 AFEERN C#Cc1ccc(F)cc1C=C1CC1 198937080 344360686 /nfs/dbraw/zinc/36/06/86/344360686.db2.gz MLYCTSKIURFSEG-UHFFFAOYSA-N 0 0 172.202 2.984 10 30 AFEERN CC#C/C=C/c1ccccc1 198784038 344360858 /nfs/dbraw/zinc/36/08/58/344360858.db2.gz CSOYLUQEPRLWEK-VMPITWQZSA-N 0 0 142.201 2.723 10 30 AFEERN C=C(C)[C@@H]1CCCC[C@@H]1C(C)=O 199527114 344361108 /nfs/dbraw/zinc/36/11/08/344361108.db2.gz NECLGCRMJJREAQ-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@@H]1CCCC[C@H]1C(C)=O 199527141 344361284 /nfs/dbraw/zinc/36/12/84/344361284.db2.gz NECLGCRMJJREAQ-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@H]1CCCC[C@H]1C(C)=O 199527153 344361294 /nfs/dbraw/zinc/36/12/94/344361294.db2.gz NECLGCRMJJREAQ-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@H]1CCCC[C@@H]1C(C)=O 199527128 344361326 /nfs/dbraw/zinc/36/13/26/344361326.db2.gz NECLGCRMJJREAQ-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCOC(=O)OC(C)(C)C 199547443 344361328 /nfs/dbraw/zinc/36/13/28/344361328.db2.gz RACOLFGJPVTMBV-UHFFFAOYSA-N 0 0 172.224 2.514 10 30 AFEERN N#Cc1cccc(-c2ccc[nH]2)c1 200190514 344362918 /nfs/dbraw/zinc/36/29/18/344362918.db2.gz SSAKZQBYTNHLDZ-UHFFFAOYSA-N 0 0 168.199 2.553 10 30 AFEERN C=CCCOc1ccccc1OC 201105314 344364266 /nfs/dbraw/zinc/36/42/66/344364266.db2.gz BVEKDQKMVGZWET-UHFFFAOYSA-N 0 0 178.231 2.650 10 30 AFEERN C=CCCCCC[C@H](C)CO 201273993 344364573 /nfs/dbraw/zinc/36/45/73/344364573.db2.gz VEEHNOHXRWEFAL-JTQLQIEISA-N 0 0 156.269 2.751 10 30 AFEERN CC/C=C/c1ccccc1C#N 201110221 344364408 /nfs/dbraw/zinc/36/44/08/344364408.db2.gz SEECMEVLHANLBS-ZZXKWVIFSA-N 0 0 157.216 2.981 10 30 AFEERN C=CCCCCC[C@@H](C)CO 201274029 344364690 /nfs/dbraw/zinc/36/46/90/344364690.db2.gz VEEHNOHXRWEFAL-SNVBAGLBSA-N 0 0 156.269 2.751 10 30 AFEERN C#Cc1c(C)c(C)cc(C)c1C 201329651 344365267 /nfs/dbraw/zinc/36/52/67/344365267.db2.gz UMVNNFICWDBWPL-UHFFFAOYSA-N 0 0 158.244 2.902 10 30 AFEERN Cc1ccc(C(=O)CCCC=O)cc1 201612444 344365622 /nfs/dbraw/zinc/36/56/22/344365622.db2.gz KWWTWIADRCVCNQ-UHFFFAOYSA-N 0 0 190.242 2.547 10 30 AFEERN N#Cc1cccc(Oc2ccncc2)c1 201822963 344366125 /nfs/dbraw/zinc/36/61/25/344366125.db2.gz FRYZTLINQUHVQE-UHFFFAOYSA-N 0 0 196.209 2.746 10 30 AFEERN CC(C)c1ccccc1/C=N/O 202071880 344366513 /nfs/dbraw/zinc/36/65/13/344366513.db2.gz JNKXYQJHICDVBW-YRNVUSSQSA-N 0 0 163.220 2.618 10 30 AFEERN CCC#CCC#C[Si](C)(C)C 202839436 344367748 /nfs/dbraw/zinc/36/77/48/344367748.db2.gz BQMPHTOICGUUPH-UHFFFAOYSA-N 0 0 164.324 2.671 10 30 AFEERN C=C(CO)CCCc1ccccc1 204279986 344369297 /nfs/dbraw/zinc/36/92/97/344369297.db2.gz XJXWMOYAMWSZQS-UHFFFAOYSA-N 0 0 176.259 2.558 10 30 AFEERN O=C1C=CC(=Cc2ccccc2)C1 204824505 344369946 /nfs/dbraw/zinc/36/99/46/344369946.db2.gz YPHNAPQTDPXQMB-DHZHZOJOSA-N 0 0 170.211 2.599 10 30 AFEERN CC(=O)/C=C\c1cccc2cc[nH]c12 204741192 344370120 /nfs/dbraw/zinc/37/01/20/344370120.db2.gz DGUYDJHJOXRIPH-WAYWQWQTSA-N 0 0 185.226 2.770 10 30 AFEERN CCO/C=C/C#Cc1ccccc1 205392934 344371557 /nfs/dbraw/zinc/37/15/57/344371557.db2.gz OUURVDMTMVYFQL-YRNVUSSQSA-N 0 0 172.227 2.588 10 30 AFEERN C=CC[C@@H](OC(=O)C=C)C(C)(C)C 205523953 344373559 /nfs/dbraw/zinc/37/35/59/344373559.db2.gz IWDSXWOFMYZMJO-SECBINFHSA-N 0 0 182.263 2.706 10 30 AFEERN CCCCCC#C[C@@H](O)C(C)C 205603068 344373941 /nfs/dbraw/zinc/37/39/41/344373941.db2.gz ORHLHDTYSOUHAQ-LLVKDONJSA-N 0 0 168.280 2.587 10 30 AFEERN CC(=O)/C=C(\C)c1cccc(F)c1 205664529 344374040 /nfs/dbraw/zinc/37/40/40/344374040.db2.gz FJADISHQMIYCAC-SOFGYWHQSA-N 0 0 178.206 2.818 10 30 AFEERN N#CCCCCCO[C@H]1CCCCO1 205864423 344374499 /nfs/dbraw/zinc/37/44/99/344374499.db2.gz ZUBPVKFDOMZVRI-LLVKDONJSA-N 0 0 197.278 2.614 10 30 AFEERN N#CCCCCCO[C@@H]1CCCCO1 205864402 344374654 /nfs/dbraw/zinc/37/46/54/344374654.db2.gz ZUBPVKFDOMZVRI-NSHDSACASA-N 0 0 197.278 2.614 10 30 AFEERN CCC(=O)C=CNc1ccccc1 206627118 344375405 /nfs/dbraw/zinc/37/54/05/344375405.db2.gz FKIVRPSPGXGYAV-HJWRWDBZSA-N 0 0 175.231 2.591 10 30 AFEERN C/C=C/CNc1ccc(C#N)cc1 206518597 344375626 /nfs/dbraw/zinc/37/56/26/344375626.db2.gz QWCCFAKVGRXIIO-NSCUHMNNSA-N 0 0 172.231 2.546 10 30 AFEERN O=C(/C=C\C(F)(F)F)c1ccco1 206820494 344375680 /nfs/dbraw/zinc/37/56/80/344375680.db2.gz NKRCCWBKHLLDJW-ARJAWSKDSA-N 0 0 190.120 2.581 10 30 AFEERN C#CCn1ccnc1C1CCCCC1 207093252 344375970 /nfs/dbraw/zinc/37/59/70/344375970.db2.gz UXYORLLILXMSSA-UHFFFAOYSA-N 0 0 188.274 2.564 10 30 AFEERN C=CC(C)(C)[C@@](C)(O)C=C(C)C 207466994 344376025 /nfs/dbraw/zinc/37/60/25/344376025.db2.gz BWPZIRPWGXXZJJ-NSHDSACASA-N 0 0 168.280 2.916 10 30 AFEERN C=CCCCC#C[C@H](O)[Si](C)(C)C 207069327 344376040 /nfs/dbraw/zinc/37/60/40/344376040.db2.gz DWKBJRPQSVNQDH-LLVKDONJSA-N 0 0 196.366 2.584 10 30 AFEERN C=CC(C)(C)[C@](C)(O)C=C(C)C 207467034 344376190 /nfs/dbraw/zinc/37/61/90/344376190.db2.gz BWPZIRPWGXXZJJ-LLVKDONJSA-N 0 0 168.280 2.916 10 30 AFEERN C=CC[C@@H]1OC(=O)c2ccc(F)cc21 207991306 344376408 /nfs/dbraw/zinc/37/64/08/344376408.db2.gz NQPPUIURSOVPEQ-JTQLQIEISA-N 0 0 192.189 2.613 10 30 AFEERN Fc1ccccc1C#C/C=C\Cl 209133872 344376436 /nfs/dbraw/zinc/37/64/36/344376436.db2.gz RLYPYZTXIPMYJU-YWEYNIOJSA-N 0 0 180.609 2.930 10 30 AFEERN C=C[C@@H](OC(=O)CCC)C(C)(C)C 207868479 344376566 /nfs/dbraw/zinc/37/65/66/344376566.db2.gz HIFQTKQDDWDZOD-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@H]1OC(=O)c2ccc(F)cc21 207991263 344376700 /nfs/dbraw/zinc/37/67/00/344376700.db2.gz NQPPUIURSOVPEQ-SNVBAGLBSA-N 0 0 192.189 2.613 10 30 AFEERN CCCCCC/C=C/NC(C)=O 210477472 344377552 /nfs/dbraw/zinc/37/75/52/344377552.db2.gz QFUNXSPGJRGKKO-CMDGGOBGSA-N 0 0 169.268 2.607 10 30 AFEERN C=C1CC[C@H](C)C(C)(C)[C@@H]1CO 210964675 344377675 /nfs/dbraw/zinc/37/76/75/344377675.db2.gz KRHORKRMJWJXRW-VHSXEESVSA-N 0 0 168.280 2.607 10 30 AFEERN Cc1nc2ccc(CC#N)cc2s1 211726904 344378587 /nfs/dbraw/zinc/37/85/87/344378587.db2.gz QKYHHYUQVHUJTO-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN CCc1cnc(C#N)cc1C(C)C 211719052 344378739 /nfs/dbraw/zinc/37/87/39/344378739.db2.gz OUTHSWKTBHKDGZ-UHFFFAOYSA-N 0 0 174.247 2.639 10 30 AFEERN CC(C)/C=C/CCCC#N 211961418 344379621 /nfs/dbraw/zinc/37/96/21/344379621.db2.gz ZTBDLNFEKREFCZ-FNORWQNLSA-N 0 0 137.226 2.892 10 30 AFEERN CC[C@@H]1CCCC2=CC(=O)C[C@H]21 212663396 344380375 /nfs/dbraw/zinc/38/03/75/344380375.db2.gz BBBTWWJMNGHJRM-KCJUWKMLSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@H]1CCCC2=CC(=O)C[C@H]21 212663454 344380438 /nfs/dbraw/zinc/38/04/38/344380438.db2.gz BBBTWWJMNGHJRM-KWQFWETISA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@@H]1CCCC2=CC(=O)C[C@@H]21 212663525 344380460 /nfs/dbraw/zinc/38/04/60/344380460.db2.gz BBBTWWJMNGHJRM-LDYMZIIASA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)[C@@H]1CCCC[C@H]1C=O 214850955 344383596 /nfs/dbraw/zinc/38/35/96/344383596.db2.gz CGYYETREOLUZFR-UWVGGRQHSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)[C@@H]1CCCC[C@@H]1C=O 214850859 344383661 /nfs/dbraw/zinc/38/36/61/344383661.db2.gz CGYYETREOLUZFR-ZJUUUORDSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)[C@H]1CCCC[C@H]1C=O 214851005 344383696 /nfs/dbraw/zinc/38/36/96/344383696.db2.gz CGYYETREOLUZFR-VHSXEESVSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)[C@H]1CCCC[C@@H]1C=O 214850908 344383735 /nfs/dbraw/zinc/38/37/35/344383735.db2.gz CGYYETREOLUZFR-NXEZZACHSA-N 0 0 154.253 2.648 10 30 AFEERN N#C[C@]1(Cl)CCc2c(F)cccc21 215037311 344385190 /nfs/dbraw/zinc/38/51/90/344385190.db2.gz ANVSNGAAALHPBF-SNVBAGLBSA-N 0 0 195.624 2.730 10 30 AFEERN Cc1ccc(F)c(NCCC#N)c1F 215069248 344385313 /nfs/dbraw/zinc/38/53/13/344385313.db2.gz YHCYLKCPZYSIGU-UHFFFAOYSA-N 0 0 196.200 2.599 10 30 AFEERN C=CCNc1c(F)ccc(C)c1F 215069111 344385325 /nfs/dbraw/zinc/38/53/25/344385325.db2.gz XGFZYWUKJXLTKK-UHFFFAOYSA-N 0 0 183.201 2.871 10 30 AFEERN C=C1CCc2c(F)cccc21 215067214 344385374 /nfs/dbraw/zinc/38/53/74/344385374.db2.gz QIDJJFWPJIJXSZ-UHFFFAOYSA-N 0 0 148.180 2.785 10 30 AFEERN N#C[C@@]1(Cl)CCc2c(F)cccc21 215037261 344385496 /nfs/dbraw/zinc/38/54/96/344385496.db2.gz ANVSNGAAALHPBF-JTQLQIEISA-N 0 0 195.624 2.730 10 30 AFEERN CCC(=N)Nc1c(F)ccc(C)c1F 215085537 344385723 /nfs/dbraw/zinc/38/57/23/344385723.db2.gz HWTPNWDIUXNRDJ-UHFFFAOYSA-N 0 0 198.216 2.672 10 30 AFEERN C=C(C)[C@@]1(O)CCc2c(F)cccc21 215096179 344385756 /nfs/dbraw/zinc/38/57/56/344385756.db2.gz RIYRNXJOUKOHRI-LBPRGKRZSA-N 0 0 192.233 2.536 10 30 AFEERN C/C(=N\O)c1ccc(F)c(Cl)c1 215110461 344385830 /nfs/dbraw/zinc/38/58/30/344385830.db2.gz VQWDTHFWUJEILW-VZUCSPMQSA-N 0 0 187.601 2.677 10 30 AFEERN C=C(C)[C@]1(O)CCc2c(F)cccc21 215096131 344385876 /nfs/dbraw/zinc/38/58/76/344385876.db2.gz RIYRNXJOUKOHRI-GFCCVEGCSA-N 0 0 192.233 2.536 10 30 AFEERN Cc1cnccc1C#C[Si](C)(C)C 215545080 344390018 /nfs/dbraw/zinc/39/00/18/344390018.db2.gz JZEBKFGSLYUDMH-UHFFFAOYSA-N 0 0 189.334 2.619 10 30 AFEERN C[Si](C)(C)C/C=C/CCC=O 215600662 344390031 /nfs/dbraw/zinc/39/00/31/344390031.db2.gz KBQGCJGFHIUJOT-FNORWQNLSA-N 0 0 170.328 2.860 10 30 AFEERN C[Si](C)(C)C/C=C\CCC=O 215600617 344390171 /nfs/dbraw/zinc/39/01/71/344390171.db2.gz KBQGCJGFHIUJOT-ALCCZGGFSA-N 0 0 170.328 2.860 10 30 AFEERN C/C=C\COc1ccc(F)cc1C#N 215544389 344390294 /nfs/dbraw/zinc/39/02/94/344390294.db2.gz HYJXDUMHMVFVIH-IHWYPQMZSA-N 0 0 191.205 2.652 10 30 AFEERN O=C1CCC=C1C1=CCCCC1 215737915 344391587 /nfs/dbraw/zinc/39/15/87/344391587.db2.gz YDPNPIZROHONKY-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN N#Cc1cccc2[nH]cc(Cl)c12 215843660 344393505 /nfs/dbraw/zinc/39/35/05/344393505.db2.gz GUXUCLLRXQHCJK-UHFFFAOYSA-N 0 0 176.606 2.693 10 30 AFEERN CC[C@@](C)(C#N)C(C)C 221163411 344438715 /nfs/dbraw/zinc/43/87/15/344438715.db2.gz DSXASDNMIKEWSV-QMMMGPOBSA-N 0 0 125.215 2.582 10 30 AFEERN N#CCCOc1c(F)cccc1Cl 216291578 344396277 /nfs/dbraw/zinc/39/62/77/344396277.db2.gz WHUUJGLGQVTNCW-UHFFFAOYSA-N 0 0 199.612 2.772 10 30 AFEERN CC[C@H](C)N[C@]1(C#N)CCC[C@@H](C)C1 216558920 344397971 /nfs/dbraw/zinc/39/79/71/344397971.db2.gz QBXAHTMACAZSRU-GRYCIOLGSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)N[C@@]1(C#N)CCC[C@@H](C)C1 216559009 344398201 /nfs/dbraw/zinc/39/82/01/344398201.db2.gz QBXAHTMACAZSRU-WOPDTQHZSA-N 0 0 194.322 2.847 10 30 AFEERN Cc1cccc(C)c1C(F)(F)C#N 216649291 344398675 /nfs/dbraw/zinc/39/86/75/344398675.db2.gz NPHODTKDISPJFR-UHFFFAOYSA-N 0 0 181.185 2.919 10 30 AFEERN CC(=O)/C=C\c1ccc(F)cc1C 217127126 344400843 /nfs/dbraw/zinc/40/08/43/344400843.db2.gz UPJYQTQEFDJONX-ARJAWSKDSA-N 0 0 178.206 2.736 10 30 AFEERN C=C(C)[C@@H]1CCc2ccccc2N1 217479768 344401688 /nfs/dbraw/zinc/40/16/88/344401688.db2.gz HNUNARXIVMZQSG-NSHDSACASA-N 0 0 173.259 2.989 10 30 AFEERN C=C(C)[C@H]1CCc2ccccc2N1 217479858 344401952 /nfs/dbraw/zinc/40/19/52/344401952.db2.gz HNUNARXIVMZQSG-LLVKDONJSA-N 0 0 173.259 2.989 10 30 AFEERN Cc1c(C#N)cc(C)c2[nH]ccc12 217511282 344402356 /nfs/dbraw/zinc/40/23/56/344402356.db2.gz XPWBRSAZUGWESN-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN C/C(=N\O)c1ccc(Cl)cc1F 217586551 344403544 /nfs/dbraw/zinc/40/35/44/344403544.db2.gz WXDJROQLPVGKES-VZUCSPMQSA-N 0 0 187.601 2.677 10 30 AFEERN C[C@H](C#N)N1CCC[C@@H]2CCCC[C@H]21 217690207 344405063 /nfs/dbraw/zinc/40/50/63/344405063.db2.gz QVCMLGWRMKZVDS-GRYCIOLGSA-N 0 0 192.306 2.553 10 30 AFEERN CSc1ccccc1N[C@H](C)C#N 217701401 344405069 /nfs/dbraw/zinc/40/50/69/344405069.db2.gz LENCAZGUDOIUQP-MRVPVSSYSA-N 0 0 192.287 2.732 10 30 AFEERN CSc1ccccc1N[C@@H](C)C#N 217701314 344405146 /nfs/dbraw/zinc/40/51/46/344405146.db2.gz LENCAZGUDOIUQP-QMMMGPOBSA-N 0 0 192.287 2.732 10 30 AFEERN CC[C@@](C)(C#N)C1CCC1 218143000 344409606 /nfs/dbraw/zinc/40/96/06/344409606.db2.gz CADMQEATGBOREB-VIFPVBQESA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@](C)(C#N)C1CCC1 218143074 344409861 /nfs/dbraw/zinc/40/98/61/344409861.db2.gz CADMQEATGBOREB-SECBINFHSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)([C@@](C)(O)CC)C1 218244896 344410484 /nfs/dbraw/zinc/41/04/84/344410484.db2.gz PRDSBXBPQNKMSX-GRYCIOLGSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1CC[C@](C#N)([C@@](C)(O)CC)C1 218245032 344410525 /nfs/dbraw/zinc/41/05/25/344410525.db2.gz PRDSBXBPQNKMSX-WOPDTQHZSA-N 0 0 195.306 2.867 10 30 AFEERN CCCC/C(=N\OC)C(C)C 218188376 344410598 /nfs/dbraw/zinc/41/05/98/344410598.db2.gz KBPWKBJJEOIWLM-MDZDMXLPSA-N 0 0 157.257 2.835 10 30 AFEERN CC(C)[C@](C)(O)[C@@]1(C#N)CC[C@@H](C)C1 218246732 344410616 /nfs/dbraw/zinc/41/06/16/344410616.db2.gz XBZVPSLNUGGMRQ-WOPDTQHZSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@](C)(C#N)[C@]1(O)CCC[C@@H](C)C1 218193688 344410648 /nfs/dbraw/zinc/41/06/48/344410648.db2.gz AGQBOJKAYWIMOX-UTUOFQBUSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)[C@H](O)[C@]1(C#N)CCC[C@@H](C)C1 218347559 344411345 /nfs/dbraw/zinc/41/13/45/344411345.db2.gz RDNKHRRBWYXPJO-GRYCIOLGSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)[C@H](O)[C@@]1(C#N)CCC[C@@H](C)C1 218347489 344411363 /nfs/dbraw/zinc/41/13/63/344411363.db2.gz RDNKHRRBWYXPJO-WOPDTQHZSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)([C@@H](O)C(C)C)C1 218347961 344411391 /nfs/dbraw/zinc/41/13/91/344411391.db2.gz UIDGAMUPTYVYSP-GRYCIOLGSA-N 0 0 195.306 2.723 10 30 AFEERN O/N=C/Cc1ccc2ccccc2c1 218352019 344411482 /nfs/dbraw/zinc/41/14/82/344411482.db2.gz OVDJUMSTMCJOKC-MDWZMJQESA-N 0 0 185.226 2.842 10 30 AFEERN CC[C@@H]1CC[C@](C#N)([C@@H](O)C(C)C)C1 218348114 344411489 /nfs/dbraw/zinc/41/14/89/344411489.db2.gz UIDGAMUPTYVYSP-WOPDTQHZSA-N 0 0 195.306 2.723 10 30 AFEERN C#Cc1cccc2cc(CC#N)ccc12 218354907 344411549 /nfs/dbraw/zinc/41/15/49/344411549.db2.gz JZPVCDWXRCQLAG-UHFFFAOYSA-N 0 0 191.233 2.887 10 30 AFEERN Cc1cccc([C@]2(C#N)CCCO2)c1 218386956 344411795 /nfs/dbraw/zinc/41/17/95/344411795.db2.gz PSBGXAPJJFQENW-GFCCVEGCSA-N 0 0 187.242 2.524 10 30 AFEERN Cc1cccc([C@@]2(C#N)CCCO2)c1 218387031 344411806 /nfs/dbraw/zinc/41/18/06/344411806.db2.gz PSBGXAPJJFQENW-LBPRGKRZSA-N 0 0 187.242 2.524 10 30 AFEERN N#CC1(c2nc3ccccc3o2)CCC1 218363774 344411815 /nfs/dbraw/zinc/41/18/15/344411815.db2.gz LXXKUUYPZSEPAQ-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN C=CCn1cc(-c2ccccc2)cn1 218412949 344412275 /nfs/dbraw/zinc/41/22/75/344412275.db2.gz FUMKKZQIIJZEDT-UHFFFAOYSA-N 0 0 184.242 2.736 10 30 AFEERN CC[C@H](C)[C@H](O)[C@@]1(C#N)CC[C@@H](C)C1 218414713 344412303 /nfs/dbraw/zinc/41/23/03/344412303.db2.gz PPAZBDZJFKWZSW-RHYQMDGZSA-N 0 0 195.306 2.723 10 30 AFEERN CC(=O)/C(F)=C/c1ccccc1 218446307 344412402 /nfs/dbraw/zinc/41/24/02/344412402.db2.gz XDDXJGGYHTUEBA-YFHOEESVSA-N 0 0 164.179 2.586 10 30 AFEERN C=CC[Si]1(C)CCC1 218456552 344412651 /nfs/dbraw/zinc/41/26/51/344412651.db2.gz WTRJZQKLKYXWPR-UHFFFAOYSA-N 0 0 126.275 2.655 10 30 AFEERN CC[C@H](O)[C@]1(C#N)CCC[C@@H](CC)C1 218468681 344412659 /nfs/dbraw/zinc/41/26/59/344412659.db2.gz GJEJHLNPGFPHFP-GRYCIOLGSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](O)[C@@]1(C#N)CCC[C@@H](CC)C1 218468603 344412735 /nfs/dbraw/zinc/41/27/35/344412735.db2.gz GJEJHLNPGFPHFP-WOPDTQHZSA-N 0 0 195.306 2.867 10 30 AFEERN N#Cc1ccc2cc(Cl)cnc2c1 218458665 344412801 /nfs/dbraw/zinc/41/28/01/344412801.db2.gz NIDIJHACBKPKQP-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN CC(C)/C=N/c1cccc([N+](=O)[O-])c1 218504614 344413263 /nfs/dbraw/zinc/41/32/63/344413263.db2.gz RKFZDUJHTGTDQZ-YRNVUSSQSA-N 0 0 192.218 2.953 10 30 AFEERN CC[C@H]1CCCC[C@]1(O)[C@@H](C#N)CC 218520860 344413268 /nfs/dbraw/zinc/41/32/68/344413268.db2.gz JFOOOHCOZLNSTJ-QJPTWQEYSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1CCC[C@@](O)([C@@H](C#N)CC)C1 218516914 344413282 /nfs/dbraw/zinc/41/32/82/344413282.db2.gz YLJPERCUIQCBLN-UTUOFQBUSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H]1CCCC[C@@]1(O)[C@@H](C#N)CC 218520944 344413287 /nfs/dbraw/zinc/41/32/87/344413287.db2.gz JFOOOHCOZLNSTJ-TUAOUCFPSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)C1(O)C[C@H](C)C[C@@H](C)C1 218539070 344413342 /nfs/dbraw/zinc/41/33/42/344413342.db2.gz ZXTQBXHXLYPHDM-GMTAPVOTSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H]1CCC[C@](O)([C@@H](C#N)CC)C1 218516838 344413359 /nfs/dbraw/zinc/41/33/59/344413359.db2.gz YLJPERCUIQCBLN-IJLUTSLNSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CC[C@@H](C)[C@@](O)(C(C)(C)C#N)C1 218559925 344413514 /nfs/dbraw/zinc/41/35/14/344413514.db2.gz PJZUPKAUOAGPSV-CKYFFXLPSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1C[C@H](C)CC[C@@]1(O)C(C)(C)C#N 218552034 344413537 /nfs/dbraw/zinc/41/35/37/344413537.db2.gz UDOKZFQSMZNHGU-SCVCMEIPSA-N 0 0 195.306 2.723 10 30 AFEERN C/C=C\CN(C)c1cccc(C#N)c1 218575887 344413662 /nfs/dbraw/zinc/41/36/62/344413662.db2.gz BASZGMWNSJDJRT-ARJAWSKDSA-N 0 0 186.258 2.571 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CC[C@@H](C)C[C@@H]1C 218554017 344413667 /nfs/dbraw/zinc/41/36/67/344413667.db2.gz LJIKSABGPADJNM-KXNHARMFSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1CC[C@@H](C)C[C@]1(O)C(C)(C)C#N 218560085 344413692 /nfs/dbraw/zinc/41/36/92/344413692.db2.gz PJZUPKAUOAGPSV-JFGNBEQYSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1C[C@H](C)CC[C@]1(O)C(C)(C)C#N 218552191 344413693 /nfs/dbraw/zinc/41/36/93/344413693.db2.gz UDOKZFQSMZNHGU-JFGNBEQYSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CCC[C@@H](C)CC1 218591169 344413876 /nfs/dbraw/zinc/41/38/76/344413876.db2.gz KKPUHTWXVHKCMD-UTUOFQBUSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@@]1(O)CCC[C@@H](C)CC1 218591018 344414079 /nfs/dbraw/zinc/41/40/79/344414079.db2.gz KKPUHTWXVHKCMD-IJLUTSLNSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CCC[C@H]([C@@H](O)C(C)(C)C#N)C1 218621128 344414493 /nfs/dbraw/zinc/41/44/93/344414493.db2.gz RKNGBFOHEMHBBX-OUAUKWLOSA-N 0 0 195.306 2.723 10 30 AFEERN CCc1cc(C)c(C#N)cc1CC 218646054 344414503 /nfs/dbraw/zinc/41/45/03/344414503.db2.gz KWQNHSDCQLFMER-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN C[C@@H]1CCC[C@@H]([C@@H](O)C(C)(C)C#N)C1 218620960 344414547 /nfs/dbraw/zinc/41/45/47/344414547.db2.gz RKNGBFOHEMHBBX-GMTAPVOTSA-N 0 0 195.306 2.723 10 30 AFEERN Cc1cc(F)c(C#N)cc1Cl 218709695 344415246 /nfs/dbraw/zinc/41/52/46/344415246.db2.gz WDIGXIMKMFDYGF-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN O=CCc1cc(Cl)sc1Cl 218944702 344418293 /nfs/dbraw/zinc/41/82/93/344418293.db2.gz XPZLAKYNALZKNG-UHFFFAOYSA-N 0 0 195.070 2.796 10 30 AFEERN Cc1cccc(C(=O)/C=C/Cl)c1 218977347 344418651 /nfs/dbraw/zinc/41/86/51/344418651.db2.gz UQBMTCKNGNCXPB-AATRIKPKSA-N 0 0 180.634 2.930 10 30 AFEERN O=C1CCCCC/C1=C/Cl 219001715 344419228 /nfs/dbraw/zinc/41/92/28/344419228.db2.gz KPMJTRBDNFCJSZ-SREVYHEPSA-N 0 0 158.628 2.642 10 30 AFEERN O=C(/C=C/Cl)c1cccc(F)c1 219145280 344420645 /nfs/dbraw/zinc/42/06/45/344420645.db2.gz STVKDZYPWZYHOE-SNAWJCMRSA-N 0 0 184.597 2.761 10 30 AFEERN C#CCCCCOc1ccc(O)cc1 219247343 344421877 /nfs/dbraw/zinc/42/18/77/344421877.db2.gz KIDGUBFMOWOLAF-UHFFFAOYSA-N 0 0 190.242 2.575 10 30 AFEERN C[C@H](C#N)N1CCC[C@@H]2CCCC[C@@H]21 219457210 344424073 /nfs/dbraw/zinc/42/40/73/344424073.db2.gz QVCMLGWRMKZVDS-WOPDTQHZSA-N 0 0 192.306 2.553 10 30 AFEERN C=CC(=O)[C@@H]1CCCC[C@H]1C 219494224 344424582 /nfs/dbraw/zinc/42/45/82/344424582.db2.gz OCMVXVHMMQIBAS-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)[C@H]1CCCC[C@@H]1C 219494141 344424590 /nfs/dbraw/zinc/42/45/90/344424590.db2.gz OCMVXVHMMQIBAS-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)[C@H]1CCCC[C@H]1C 219494070 344424607 /nfs/dbraw/zinc/42/46/07/344424607.db2.gz OCMVXVHMMQIBAS-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)[C@@H]1CCCC[C@@H]1C 219494308 344424679 /nfs/dbraw/zinc/42/46/79/344424679.db2.gz OCMVXVHMMQIBAS-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCn1ccc2cc(C=O)ccc21 219808007 344428336 /nfs/dbraw/zinc/42/83/36/344428336.db2.gz RPZIGXHEKWNAEO-UHFFFAOYSA-N 0 0 185.226 2.640 10 30 AFEERN C=C(C)[C@]1(O)CC[C@H](C)C[C@@H]1C 219896997 344428754 /nfs/dbraw/zinc/42/87/54/344428754.db2.gz XVRCAONICMTGLG-GARJFASQSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@]1(O)CCC[C@H](C)[C@@H]1C 219896711 344428924 /nfs/dbraw/zinc/42/89/24/344428924.db2.gz BXHWLFJEOKMUIC-GARJFASQSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C[C@H](O)[C@H]1CC[C@@H](C)C1 219909091 344429316 /nfs/dbraw/zinc/42/93/16/344429316.db2.gz GBQMXRQKOUDGDS-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@H]1OC2(CCCC2)OC1(C)C 219935121 344429343 /nfs/dbraw/zinc/42/93/43/344429343.db2.gz ULJHYUUCCUUAJQ-SECBINFHSA-N 0 0 182.263 2.637 10 30 AFEERN C=C(C)C[C@H](O)[C@@H]1CC[C@@H](C)C1 219909056 344429496 /nfs/dbraw/zinc/42/94/96/344429496.db2.gz GBQMXRQKOUDGDS-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(c1ccccc1O)C(F)(F)F 219951918 344429507 /nfs/dbraw/zinc/42/95/07/344429507.db2.gz MJTZIZYEIVVEER-UHFFFAOYSA-N 0 0 188.148 2.968 10 30 AFEERN COCc1ccc(C2CC2)c(C#N)c1 220011799 344429912 /nfs/dbraw/zinc/42/99/12/344429912.db2.gz COBPJJMVVLDOSW-UHFFFAOYSA-N 0 0 187.242 2.582 10 30 AFEERN COCc1ccc(C(C)C)c(C#N)c1 220019940 344429985 /nfs/dbraw/zinc/42/99/85/344429985.db2.gz GIQPKUASIMZZTK-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN C#C[C@H](CC)Nc1ccccc1 220200696 344430937 /nfs/dbraw/zinc/43/09/37/344430937.db2.gz UZKWZYHIUNERJG-SNVBAGLBSA-N 0 0 159.232 2.510 10 30 AFEERN C#C[C@@H](CC)Nc1ccccc1 220200752 344430958 /nfs/dbraw/zinc/43/09/58/344430958.db2.gz UZKWZYHIUNERJG-JTQLQIEISA-N 0 0 159.232 2.510 10 30 AFEERN CCN(CC#N)C1C[C@H](C)C[C@@H](C)C1 220208056 344430993 /nfs/dbraw/zinc/43/09/93/344430993.db2.gz MZGCMFNIOXORFZ-GHMZBOCLSA-N 0 0 194.322 2.657 10 30 AFEERN C#CCC(=O)c1cccc(Cl)c1C 220249878 344431687 /nfs/dbraw/zinc/43/16/87/344431687.db2.gz ZNXQTMWCZQPMPA-UHFFFAOYSA-N 0 0 192.645 2.854 10 30 AFEERN CC(=CO)C(=O)c1ccc(Cl)cc1 220440276 344432430 /nfs/dbraw/zinc/43/24/30/344432430.db2.gz ZKHQBSNNFWIVRN-SREVYHEPSA-N 0 0 196.633 2.985 10 30 AFEERN CC[C@H](C#N)NC1C[C@H](C)C[C@@H](C)C1 220510333 344433267 /nfs/dbraw/zinc/43/32/67/344433267.db2.gz YBFSKBBAZKZBRE-GMTAPVOTSA-N 0 0 194.322 2.703 10 30 AFEERN CCCN[C@]1(C#N)CC[C@H](C)[C@@H](C)C1 220713720 344434820 /nfs/dbraw/zinc/43/48/20/344434820.db2.gz ODSREPFZQCBERX-SDDRHHMPSA-N 0 0 194.322 2.704 10 30 AFEERN CCCN[C@]1(C#N)CC[C@@H](C)[C@@H](C)C1 220713599 344435040 /nfs/dbraw/zinc/43/50/40/344435040.db2.gz ODSREPFZQCBERX-GRYCIOLGSA-N 0 0 194.322 2.704 10 30 AFEERN CCCNc1c(C)cccc1C#N 220980027 344436727 /nfs/dbraw/zinc/43/67/27/344436727.db2.gz IALKQXFODCHDFP-UHFFFAOYSA-N 0 0 174.247 2.689 10 30 AFEERN Cc1cccc(C#N)c1NC(C)C 220980568 344436969 /nfs/dbraw/zinc/43/69/69/344436969.db2.gz QOINVKRREQKJJU-UHFFFAOYSA-N 0 0 174.247 2.687 10 30 AFEERN Cc1cccc(C#N)c1NCC1CC1 220982461 344437008 /nfs/dbraw/zinc/43/70/08/344437008.db2.gz ARIWSPQWDAGOGE-UHFFFAOYSA-N 0 0 186.258 2.689 10 30 AFEERN Cc1cccc(C#N)c1NCC(C)C 220981160 344437036 /nfs/dbraw/zinc/43/70/36/344437036.db2.gz ZJPRSIOJPCJROJ-UHFFFAOYSA-N 0 0 188.274 2.935 10 30 AFEERN Cc1cccc(C#N)c1N[C@@H]1C[C@@H]1C 221048787 344437408 /nfs/dbraw/zinc/43/74/08/344437408.db2.gz VOMQRUHOIUOBRY-GXSJLCMTSA-N 0 0 186.258 2.687 10 30 AFEERN Cc1cccc(C#N)c1N[C@@H]1C[C@H]1C 221048914 344437483 /nfs/dbraw/zinc/43/74/83/344437483.db2.gz VOMQRUHOIUOBRY-MWLCHTKSSA-N 0 0 186.258 2.687 10 30 AFEERN Cc1cccc(C#N)c1N[C@H]1C[C@H]1C 221048975 344437618 /nfs/dbraw/zinc/43/76/18/344437618.db2.gz VOMQRUHOIUOBRY-KOLCDFICSA-N 0 0 186.258 2.687 10 30 AFEERN CCN(CC#N)[C@@H]1CC[C@@H](C)[C@@H](C)C1 221041705 344437673 /nfs/dbraw/zinc/43/76/73/344437673.db2.gz AGJVOPYOBHYTQL-GRYCIOLGSA-N 0 0 194.322 2.657 10 30 AFEERN Cc1cccc(C#N)c1OCC1CC1 221139835 344437957 /nfs/dbraw/zinc/43/79/57/344437957.db2.gz AGHTVCTWZOCMDT-UHFFFAOYSA-N 0 0 187.242 2.656 10 30 AFEERN CC[C@@H](C)[C@@](C)(C#N)CC 221154964 344438376 /nfs/dbraw/zinc/43/83/76/344438376.db2.gz PHVZLOIJMQIOOY-RKDXNWHRSA-N 0 0 139.242 2.972 10 30 AFEERN CC[C@](C)(C#N)C(C)C 221163463 344438383 /nfs/dbraw/zinc/43/83/83/344438383.db2.gz DSXASDNMIKEWSV-MRVPVSSYSA-N 0 0 125.215 2.582 10 30 AFEERN CC[C@H](C)[C@](C)(C#N)CC 221154901 344438536 /nfs/dbraw/zinc/43/85/36/344438536.db2.gz PHVZLOIJMQIOOY-IUCAKERBSA-N 0 0 139.242 2.972 10 30 AFEERN CC[C@H](C)[C@@](C)(C#N)CC 221155029 344438567 /nfs/dbraw/zinc/43/85/67/344438567.db2.gz PHVZLOIJMQIOOY-DTWKUNHWSA-N 0 0 139.242 2.972 10 30 AFEERN CC[C@@H](C)[C@](C)(C#N)CC 221154846 344438698 /nfs/dbraw/zinc/43/86/98/344438698.db2.gz PHVZLOIJMQIOOY-BDAKNGLRSA-N 0 0 139.242 2.972 10 30 AFEERN C/C=C/COc1c(C)cccc1C#N 221148209 344438726 /nfs/dbraw/zinc/43/87/26/344438726.db2.gz JTUZXPCENDHFNZ-ONEGZZNKSA-N 0 0 187.242 2.822 10 30 AFEERN CC[C@H]1CCCCN1[C@@H](C#N)CC 221319823 344441857 /nfs/dbraw/zinc/44/18/57/344441857.db2.gz YITPJRZJFARHOP-WDEREUQCSA-N 0 0 180.295 2.553 10 30 AFEERN CC[C@H](C#N)N(C)[C@@H]1CCC[C@@H](C)C1 221321691 344441962 /nfs/dbraw/zinc/44/19/62/344441962.db2.gz OSVPUXKDKGEJSY-IJLUTSLNSA-N 0 0 194.322 2.799 10 30 AFEERN N#C[C@@H]1CCCO[C@H]1[C@@H]1CC=CCC1 221405205 344442634 /nfs/dbraw/zinc/44/26/34/344442634.db2.gz NFMLBBZILKUQKY-WOPDTQHZSA-N 0 0 191.274 2.661 10 30 AFEERN N#C[C@@H]1CCCO[C@@H]1[C@@H]1CC=CCC1 221405096 344442650 /nfs/dbraw/zinc/44/26/50/344442650.db2.gz NFMLBBZILKUQKY-GRYCIOLGSA-N 0 0 191.274 2.661 10 30 AFEERN CCC[C@H](C)[C@@H]1OCCC[C@@H]1C#N 221405499 344442793 /nfs/dbraw/zinc/44/27/93/344442793.db2.gz BKKHNIUETDMDLA-AXFHLTTASA-N 0 0 181.279 2.741 10 30 AFEERN CCC[C@H](C)[C@H]1OCCC[C@@H]1C#N 221405608 344442937 /nfs/dbraw/zinc/44/29/37/344442937.db2.gz BKKHNIUETDMDLA-HBNTYKKESA-N 0 0 181.279 2.741 10 30 AFEERN C[C@H]1CC[C@@H](C)C[C@@H]1C#N 221666600 344445103 /nfs/dbraw/zinc/44/51/03/344445103.db2.gz GATFDVNPVSEJDR-HRDYMLBCSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@@H]1CC[C@@H](C)[C@@H](C#N)C1 221666486 344445105 /nfs/dbraw/zinc/44/51/05/344445105.db2.gz GATFDVNPVSEJDR-IWSPIJDZSA-N 0 0 137.226 2.582 10 30 AFEERN CC[C@@](C)(C=O)c1ccccc1C 221907300 344447433 /nfs/dbraw/zinc/44/74/33/344447433.db2.gz SSLJHIBLHTUZSI-LBPRGKRZSA-N 0 0 176.259 2.862 10 30 AFEERN CC[C@](C)(C=O)c1ccccc1C 221907361 344447459 /nfs/dbraw/zinc/44/74/59/344447459.db2.gz SSLJHIBLHTUZSI-GFCCVEGCSA-N 0 0 176.259 2.862 10 30 AFEERN CC(C)(C)[Si](C)(C)C#CCCCO 222022381 344448356 /nfs/dbraw/zinc/44/83/56/344448356.db2.gz NELDAYFLTVDMCW-UHFFFAOYSA-N 0 0 198.382 2.810 10 30 AFEERN CC(C)N[C@]1(C#N)CC[C@@H](C)C[C@@H]1C 222196396 344449587 /nfs/dbraw/zinc/44/95/87/344449587.db2.gz ZMUASIFGBQYATC-WOPDTQHZSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@@]1(O)[C@H](C)C#N 222164245 344449902 /nfs/dbraw/zinc/44/99/02/344449902.db2.gz IOIXZIBUEDFXDT-UMNHJUIQSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)N[C@]1(C#N)C[C@H](C)CC[C@@H]1C 222196617 344449909 /nfs/dbraw/zinc/44/99/09/344449909.db2.gz GCFMAHGLQCOIHF-WOPDTQHZSA-N 0 0 194.322 2.703 10 30 AFEERN CC(C)N[C@@]1(C#N)CC[C@@H](C)C[C@@H]1C 222196344 344449940 /nfs/dbraw/zinc/44/99/40/344449940.db2.gz ZMUASIFGBQYATC-GRYCIOLGSA-N 0 0 194.322 2.703 10 30 AFEERN C=CCC[C@@H]1OC(=O)c2ccccc21 222249671 344450610 /nfs/dbraw/zinc/45/06/10/344450610.db2.gz ZOSCOLADEXHWEX-NSHDSACASA-N 0 0 188.226 2.864 10 30 AFEERN C=CCC[C@H]1OC(=O)c2ccccc21 222249620 344450788 /nfs/dbraw/zinc/45/07/88/344450788.db2.gz ZOSCOLADEXHWEX-LLVKDONJSA-N 0 0 188.226 2.864 10 30 AFEERN C[C@H]1C[C@H](C)CC[C@]1(Cl)C#N 222386062 344451838 /nfs/dbraw/zinc/45/18/38/344451838.db2.gz NAWYMXHLCAAKOL-VGMNWLOBSA-N 0 0 171.671 2.944 10 30 AFEERN C[C@H]1CC[C@@H](C)C[C@]1(Cl)C#N 222386322 344451951 /nfs/dbraw/zinc/45/19/51/344451951.db2.gz NLFCHWIUIZGXGS-VGMNWLOBSA-N 0 0 171.671 2.944 10 30 AFEERN Cc1csc2c(N=[N+]=[N-])ncnc12 222406758 344452067 /nfs/dbraw/zinc/45/20/67/344452067.db2.gz UXHRKRSYSADJBZ-UHFFFAOYSA-N 0 0 191.219 2.942 10 30 AFEERN C=CCCCCCOC(=O)/C=C/C 222548779 344452793 /nfs/dbraw/zinc/45/27/93/344452793.db2.gz DPIXUQTVJPJOJM-RUDMXATFSA-N 0 0 182.263 2.852 10 30 AFEERN CCCCCC(=O)/C=C/N1CC=CC1 222495630 344452952 /nfs/dbraw/zinc/45/29/52/344452952.db2.gz ONBKMTXTCHCZPM-DHZHZOJOSA-N 0 0 193.290 2.521 10 30 AFEERN C=CCC[C@@H](C)COC(=O)/C=C/C 222548713 344453142 /nfs/dbraw/zinc/45/31/42/344453142.db2.gz MXUZWVYDVOOAGZ-BREXMAIKSA-N 0 0 182.263 2.708 10 30 AFEERN C=CCC[C@H](C)COC(=O)/C=C/C 222548648 344453169 /nfs/dbraw/zinc/45/31/69/344453169.db2.gz MXUZWVYDVOOAGZ-STUBTGCMSA-N 0 0 182.263 2.708 10 30 AFEERN Cc1cc(Cl)ccc1C(=O)CC#N 222615547 344453383 /nfs/dbraw/zinc/45/33/83/344453383.db2.gz HHRRCCMHCCEYJJ-UHFFFAOYSA-N 0 0 193.633 2.745 10 30 AFEERN C/C(=N\c1ccccn1)c1ccccn1 222866556 344454944 /nfs/dbraw/zinc/45/49/44/344454944.db2.gz CQYILACNMGFVJJ-XNTDXEJSSA-N 0 0 197.241 2.617 10 30 AFEERN CCc1cc(C#N)c(C)cc1C 223010229 344455913 /nfs/dbraw/zinc/45/59/13/344455913.db2.gz WHUACVQQQNYVJH-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN Fc1ccccc1C#Cc1ccccn1 223112717 344456853 /nfs/dbraw/zinc/45/68/53/344456853.db2.gz SEKOUBJVTDWMFO-UHFFFAOYSA-N 0 0 197.212 2.621 10 30 AFEERN C/C=C(\C)C(=O)CCCC 223279344 344458907 /nfs/dbraw/zinc/45/89/07/344458907.db2.gz AUZOXMRKEUMQSH-VMPITWQZSA-N 0 0 140.226 2.712 10 30 AFEERN CSCCCSCCCS 223297688 344459613 /nfs/dbraw/zinc/45/96/13/344459613.db2.gz JKYOFDLRNOXFQP-UHFFFAOYSA-N 0 0 196.406 2.793 10 30 AFEERN C=CCCC[C@]1(C)COC(C)(C)O1 223407996 344459807 /nfs/dbraw/zinc/45/98/07/344459807.db2.gz STCMZHIUPBFMCJ-LLVKDONJSA-N 0 0 184.279 2.884 10 30 AFEERN CC(=O)/C=C/[C@H](C)C(C)(C)C 223392052 344459815 /nfs/dbraw/zinc/45/98/15/344459815.db2.gz HHLOOWKQXRXIDZ-CZEYKFRCSA-N 0 0 154.253 2.814 10 30 AFEERN CC(=O)/C=C/[C@@H](C)C(C)(C)C 223392176 344460037 /nfs/dbraw/zinc/46/00/37/344460037.db2.gz HHLOOWKQXRXIDZ-HYDMIIDASA-N 0 0 154.253 2.814 10 30 AFEERN CCSc1cc(F)cc(C#N)c1 223369911 344460069 /nfs/dbraw/zinc/46/00/69/344460069.db2.gz VJQRBSWPKWTXTA-UHFFFAOYSA-N 0 0 181.235 2.809 10 30 AFEERN C=CCCC[C@@]1(C)COC(C)(C)O1 223408052 344460222 /nfs/dbraw/zinc/46/02/22/344460222.db2.gz STCMZHIUPBFMCJ-NSHDSACASA-N 0 0 184.279 2.884 10 30 AFEERN C#Cc1ccc2cnc(Cl)cc2c1 223645625 344461291 /nfs/dbraw/zinc/46/12/91/344461291.db2.gz BBEXOAMKLMWPHJ-UHFFFAOYSA-N 0 0 187.629 2.870 10 30 AFEERN C=C[C@H](OC(=O)CCC)C(C)(C)C 223692724 344461979 /nfs/dbraw/zinc/46/19/79/344461979.db2.gz HIFQTKQDDWDZOD-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@@H]1CCCC[C@H]1C=O 224028858 344465146 /nfs/dbraw/zinc/46/51/46/344465146.db2.gz ZRRBLAIBNWUXHE-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@](C)(C#N)c1cc(C)ccn1 224075134 344465634 /nfs/dbraw/zinc/46/56/34/344465634.db2.gz VXVRZVGQHZWNOC-LLVKDONJSA-N 0 0 174.247 2.581 10 30 AFEERN CC[C@@](C)(C#N)c1cc(C)ccn1 224075091 344465965 /nfs/dbraw/zinc/46/59/65/344465965.db2.gz VXVRZVGQHZWNOC-NSHDSACASA-N 0 0 174.247 2.581 10 30 AFEERN C/C=C/C(=O)C(C)(C)CC 224167714 344466282 /nfs/dbraw/zinc/46/62/82/344466282.db2.gz DFPZHPQSHVARTD-FNORWQNLSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCCC[C@H]1C 224198403 344466786 /nfs/dbraw/zinc/46/67/86/344466786.db2.gz IKSDPYOQTJFNNI-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)[C@H]1CCCC[C@@H]1C 224198355 344466894 /nfs/dbraw/zinc/46/68/94/344466894.db2.gz IKSDPYOQTJFNNI-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H]1CC[C@H](C)N1[C@@H](C#N)CC 224197099 344466925 /nfs/dbraw/zinc/46/69/25/344466925.db2.gz JWKFIBRTCQWSOO-GARJFASQSA-N 0 0 180.295 2.551 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCCC[C@@H]1C 224198430 344467010 /nfs/dbraw/zinc/46/70/10/344467010.db2.gz IKSDPYOQTJFNNI-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)[C@H]1CCCC[C@H]1C 224198318 344467100 /nfs/dbraw/zinc/46/71/00/344467100.db2.gz IKSDPYOQTJFNNI-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCN(C(=O)CC(C)(C)C)CC1 224201575 344467115 /nfs/dbraw/zinc/46/71/15/344467115.db2.gz HFJOQZYIAAYJDH-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN CC(C)(C#N)c1ncc(Cl)cc1F 224255614 344467518 /nfs/dbraw/zinc/46/75/18/344467518.db2.gz NIPIKUAXTOTLEK-UHFFFAOYSA-N 0 0 198.628 2.675 10 30 AFEERN O=C[C@@H]1CCC12CCCCC2 224767836 344472888 /nfs/dbraw/zinc/47/28/88/344472888.db2.gz FQRSHFYCYFFIQL-VIFPVBQESA-N 0 0 152.237 2.546 10 30 AFEERN O=C[C@H]1CCC12CCCCC2 224767795 344472986 /nfs/dbraw/zinc/47/29/86/344472986.db2.gz FQRSHFYCYFFIQL-SECBINFHSA-N 0 0 152.237 2.546 10 30 AFEERN CC1=CC(=O)C[C@H](CC(C)C)C1 224800778 344473365 /nfs/dbraw/zinc/47/33/65/344473365.db2.gz LFZNURWEYDCZJX-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(=O)C[C@@H](CC(C)C)C1 224800824 344473526 /nfs/dbraw/zinc/47/35/26/344473526.db2.gz LFZNURWEYDCZJX-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC(=O)c1ccc(N)cc1Cl 225040349 344475582 /nfs/dbraw/zinc/47/55/82/344475582.db2.gz YBEUARKSIHAMMP-UHFFFAOYSA-N 0 0 195.649 2.681 10 30 AFEERN CC/C(C)=C(\C)C(=O)SC 225322596 344479934 /nfs/dbraw/zinc/47/99/34/344479934.db2.gz QSLQPHZIEIQJLH-VOTSOKGWSA-N 0 0 158.266 2.622 10 30 AFEERN Cl/N=C/C1CCCCC1 225345366 344480055 /nfs/dbraw/zinc/48/00/55/344480055.db2.gz JCZIAYOSCOHQJA-RMKNXTFCSA-N 0 0 145.633 2.791 10 30 AFEERN N#Cc1cccc(SC(F)F)c1 225461988 344481945 /nfs/dbraw/zinc/48/19/45/344481945.db2.gz MHJYIMQFSSSYPG-UHFFFAOYSA-N 0 0 185.198 2.873 10 30 AFEERN CC#CC[C@H](O)[C@H]1CCC[C@@H](C)C1 225612409 344483561 /nfs/dbraw/zinc/48/35/61/344483561.db2.gz CIVJPRQMMOPHCH-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CC[C@H](O)[C@@H]1CCC[C@@H](C)C1 225612362 344483658 /nfs/dbraw/zinc/48/36/58/344483658.db2.gz CIVJPRQMMOPHCH-UTUOFQBUSA-N 0 0 180.291 2.587 10 30 AFEERN CCC[C@@H](C)C[C@]1(C)CO1 225692695 344484466 /nfs/dbraw/zinc/48/44/66/344484466.db2.gz COLYHWWPNJYKOZ-RKDXNWHRSA-N 0 0 142.242 2.602 10 30 AFEERN CCC[C@H](C)C[C@]1(C)CO1 225692720 344484484 /nfs/dbraw/zinc/48/44/84/344484484.db2.gz COLYHWWPNJYKOZ-DTWKUNHWSA-N 0 0 142.242 2.602 10 30 AFEERN CCC[C@H](C)C[C@@]1(C)CO1 225692780 344484549 /nfs/dbraw/zinc/48/45/49/344484549.db2.gz COLYHWWPNJYKOZ-IUCAKERBSA-N 0 0 142.242 2.602 10 30 AFEERN CCC[C@@H](C)C[C@@]1(C)CO1 225692751 344484581 /nfs/dbraw/zinc/48/45/81/344484581.db2.gz COLYHWWPNJYKOZ-BDAKNGLRSA-N 0 0 142.242 2.602 10 30 AFEERN CC(C)=CC[C@@]1(C#N)CCCC1=O 225826888 344488051 /nfs/dbraw/zinc/48/80/51/344488051.db2.gz DSWBEOZLKIUOKA-LLVKDONJSA-N 0 0 177.247 2.606 10 30 AFEERN CC(C)=CC[C@]1(C#N)CCCC1=O 225826866 344488273 /nfs/dbraw/zinc/48/82/73/344488273.db2.gz DSWBEOZLKIUOKA-NSHDSACASA-N 0 0 177.247 2.606 10 30 AFEERN SCCC1=CCCCC1 225904794 344489761 /nfs/dbraw/zinc/48/97/61/344489761.db2.gz IQRTYKYKIDVUKE-UHFFFAOYSA-N 0 0 142.267 2.807 10 30 AFEERN C[C@H](C#N)N1CCC[C@H]2CCCC[C@H]21 226107956 344492723 /nfs/dbraw/zinc/49/27/23/344492723.db2.gz QVCMLGWRMKZVDS-IJLUTSLNSA-N 0 0 192.306 2.553 10 30 AFEERN CCN(c1cccc(C#N)c1)C(C)C 226297772 344498072 /nfs/dbraw/zinc/49/80/72/344498072.db2.gz DGMWUZUHBSZQGQ-UHFFFAOYSA-N 0 0 188.274 2.793 10 30 AFEERN CC[C@@H](C#N)Oc1ccc(C)c(F)c1 226418477 344502253 /nfs/dbraw/zinc/50/22/53/344502253.db2.gz VZGXQMGABJFLHM-VIFPVBQESA-N 0 0 193.221 2.815 10 30 AFEERN CC[C@H](C#N)Oc1ccc(C)c(F)c1 226418482 344502436 /nfs/dbraw/zinc/50/24/36/344502436.db2.gz VZGXQMGABJFLHM-SECBINFHSA-N 0 0 193.221 2.815 10 30 AFEERN C=C(C)CC(=O)c1cc(C)ccc1N 226506681 344505099 /nfs/dbraw/zinc/50/50/99/344505099.db2.gz DCSYMQFJXUWOKC-UHFFFAOYSA-N 0 0 189.258 2.726 10 30 AFEERN C#Cc1ccc(C(F)(F)F)cc1C 226561783 344506258 /nfs/dbraw/zinc/50/62/58/344506258.db2.gz LZZXSZYINBRZTF-UHFFFAOYSA-N 0 0 184.160 2.995 10 30 AFEERN C[C@@H](C#N)C(=O)[C@H]1CCCC1(C)C 226593272 344507652 /nfs/dbraw/zinc/50/76/52/344507652.db2.gz NHKAZKDVGYGXHS-DTWKUNHWSA-N 0 0 179.263 2.541 10 30 AFEERN CC1(C)CCCC[C@@H]1C(=O)CC#N 226592051 344507704 /nfs/dbraw/zinc/50/77/04/344507704.db2.gz JARBKNJPRRQJIL-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@H](C#N)C(=O)[C@@H]1CCCC1(C)C 226593264 344507749 /nfs/dbraw/zinc/50/77/49/344507749.db2.gz NHKAZKDVGYGXHS-BDAKNGLRSA-N 0 0 179.263 2.541 10 30 AFEERN C[C@@H](C#N)C(=O)[C@@H]1CCCC1(C)C 226593259 344507759 /nfs/dbraw/zinc/50/77/59/344507759.db2.gz NHKAZKDVGYGXHS-IUCAKERBSA-N 0 0 179.263 2.541 10 30 AFEERN CC1(C)CCCC[C@H]1C(=O)CC#N 226592057 344507820 /nfs/dbraw/zinc/50/78/20/344507820.db2.gz JARBKNJPRRQJIL-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C=C(C)CC(=O)c1cccc(F)c1N 226773891 344513169 /nfs/dbraw/zinc/51/31/69/344513169.db2.gz OZBBIHSRXYBDDE-UHFFFAOYSA-N 0 0 193.221 2.557 10 30 AFEERN C=CCC(=O)[C@H]1CCC[C@H]1C 226780481 344513489 /nfs/dbraw/zinc/51/34/89/344513489.db2.gz LNTINTVBWKYVQR-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCC(=O)[C@@H]1CCC[C@H]1C 226780475 344513738 /nfs/dbraw/zinc/51/37/38/344513738.db2.gz LNTINTVBWKYVQR-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C#CCC(=O)[C@H]1CCCCC1(C)C 226778509 344513753 /nfs/dbraw/zinc/51/37/53/344513753.db2.gz WWZITDADTUHNBU-SNVBAGLBSA-N 0 0 178.275 2.795 10 30 AFEERN C#CCC(=O)[C@@H]1CCCCC1(C)C 226778503 344513754 /nfs/dbraw/zinc/51/37/54/344513754.db2.gz WWZITDADTUHNBU-JTQLQIEISA-N 0 0 178.275 2.795 10 30 AFEERN C=CCC(=O)[C@H]1CCC[C@@H]1C 226780469 344513764 /nfs/dbraw/zinc/51/37/64/344513764.db2.gz LNTINTVBWKYVQR-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN CC#CCC(=O)[C@H]1CCCC1(C)C 226780816 344513765 /nfs/dbraw/zinc/51/37/65/344513765.db2.gz BWGGUZDATZQRJB-SNVBAGLBSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CCC(=O)[C@@H]1CCCC1(C)C 226780811 344513776 /nfs/dbraw/zinc/51/37/76/344513776.db2.gz BWGGUZDATZQRJB-JTQLQIEISA-N 0 0 178.275 2.795 10 30 AFEERN C=CCC(=O)[C@@H]1CCC[C@@H]1C 226780465 344513788 /nfs/dbraw/zinc/51/37/88/344513788.db2.gz LNTINTVBWKYVQR-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)[C@H]1CCC[C@H]1C 226791154 344513924 /nfs/dbraw/zinc/51/39/24/344513924.db2.gz ZIHQRCWGRJLKFC-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)[C@H]1CCCCC1(C)C 226790381 344513928 /nfs/dbraw/zinc/51/39/28/344513928.db2.gz IPVAAPJNVRDENI-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1CCC[C@@H]1C(=O)C1=COCCC1 226796516 344513932 /nfs/dbraw/zinc/51/39/32/344513932.db2.gz CDDQPBSXNDURSO-KOLCDFICSA-N 0 0 194.274 2.686 10 30 AFEERN C=CC(=O)[C@@H]1CCCCC1(C)C 226790373 344513944 /nfs/dbraw/zinc/51/39/44/344513944.db2.gz IPVAAPJNVRDENI-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)[C@H]1CCCC1(C)C 226791166 344513947 /nfs/dbraw/zinc/51/39/47/344513947.db2.gz RYQUCEREHZCDSA-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)[C@H]1CCC[C@@H]1C 226791142 344513965 /nfs/dbraw/zinc/51/39/65/344513965.db2.gz ZIHQRCWGRJLKFC-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)[C@@H]1CCCC1(C)C 226790419 344514018 /nfs/dbraw/zinc/51/40/18/344514018.db2.gz AMBUXSVLWIDQMX-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCC[C@@H]1C 226791137 344514009 /nfs/dbraw/zinc/51/40/09/344514009.db2.gz ZIHQRCWGRJLKFC-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1CCC[C@@H]1C(=O)C1=COCCC1 226796520 344514028 /nfs/dbraw/zinc/51/40/28/344514028.db2.gz CDDQPBSXNDURSO-ONGXEEELSA-N 0 0 194.274 2.686 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCC[C@H]1C 226791148 344514045 /nfs/dbraw/zinc/51/40/45/344514045.db2.gz ZIHQRCWGRJLKFC-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)[C@H]1CCCC1(C)C 226790427 344514053 /nfs/dbraw/zinc/51/40/53/344514053.db2.gz AMBUXSVLWIDQMX-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CCC[C@H]1C(=O)C1=COCCC1 226796527 344514127 /nfs/dbraw/zinc/51/41/27/344514127.db2.gz CDDQPBSXNDURSO-MWLCHTKSSA-N 0 0 194.274 2.686 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCCC1(C)C 226791160 344514159 /nfs/dbraw/zinc/51/41/59/344514159.db2.gz RYQUCEREHZCDSA-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H]1CCC[C@H]1C(=O)C1=COCCC1 226796531 344514192 /nfs/dbraw/zinc/51/41/92/344514192.db2.gz CDDQPBSXNDURSO-GXSJLCMTSA-N 0 0 194.274 2.686 10 30 AFEERN CC1(C)CCC[C@H]1C(=O)C1=CCCO1 226801904 344514381 /nfs/dbraw/zinc/51/43/81/344514381.db2.gz QQPNQIVPZIHUMB-VIFPVBQESA-N 0 0 194.274 2.686 10 30 AFEERN CC1(C)CCC[C@@H]1C(=O)C1=CCCO1 226801893 344514396 /nfs/dbraw/zinc/51/43/96/344514396.db2.gz QQPNQIVPZIHUMB-SECBINFHSA-N 0 0 194.274 2.686 10 30 AFEERN CC#CC[C@@H](O)[C@@H]1CCCC1(C)C 226912041 344516868 /nfs/dbraw/zinc/51/68/68/344516868.db2.gz WHHRPMYGMMVDRJ-WDEREUQCSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CC[C@@H](O)[C@H]1CCCC1(C)C 226912047 344517023 /nfs/dbraw/zinc/51/70/23/344517023.db2.gz WHHRPMYGMMVDRJ-GHMZBOCLSA-N 0 0 180.291 2.587 10 30 AFEERN CC[C@@H]1CCCN([C@@H](C#N)CC)CC1 226983266 344518798 /nfs/dbraw/zinc/51/87/98/344518798.db2.gz AARQGLQRXUQUQG-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN C=CC[C@H](O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 227078080 344521646 /nfs/dbraw/zinc/52/16/46/344521646.db2.gz NNNIFWHCTOSODK-KXNHARMFSA-N 0 0 182.307 2.996 10 30 AFEERN Cc1cccc(OCCCC#N)c1F 227295683 344527948 /nfs/dbraw/zinc/52/79/48/344527948.db2.gz HIIXSQKXKQHZNO-UHFFFAOYSA-N 0 0 193.221 2.817 10 30 AFEERN CC[C@H](C)[C@H](O)[C@]1(C#N)CC[C@@H](C)C1 227303272 344528363 /nfs/dbraw/zinc/52/83/63/344528363.db2.gz PPAZBDZJFKWZSW-NOOOWODRSA-N 0 0 195.306 2.723 10 30 AFEERN C#CC[C@H](O)[C@H]1CCC[C@@H](CC)C1 227382260 344529860 /nfs/dbraw/zinc/52/98/60/344529860.db2.gz GXJJUADMIVGILK-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CC[C@H](O)[C@@H]1CCC[C@@H](CC)C1 227381025 344529872 /nfs/dbraw/zinc/52/98/72/344529872.db2.gz FLPGLQUAIGDVEB-UPJWGTAASA-N 0 0 194.318 2.977 10 30 AFEERN C#CC[C@H](O)[C@@H]1CCC[C@@H](CC)C1 227382253 344529927 /nfs/dbraw/zinc/52/99/27/344529927.db2.gz GXJJUADMIVGILK-UTUOFQBUSA-N 0 0 180.291 2.587 10 30 AFEERN CC#CC[C@H](O)[C@H]1CCC[C@@H](CC)C1 227381029 344529952 /nfs/dbraw/zinc/52/99/52/344529952.db2.gz FLPGLQUAIGDVEB-AGIUHOORSA-N 0 0 194.318 2.977 10 30 AFEERN C[C@H]1C[C@@H](OC[C@@]2(C)CO2)CC[C@H]1C 227534664 344533400 /nfs/dbraw/zinc/53/34/00/344533400.db2.gz UFGUCLHKYDMBAU-RHYQMDGZSA-N 0 0 198.306 2.617 10 30 AFEERN C=C(C)C[C@H](O)[C@H]1CC[C@H](C)C1 227576114 344535746 /nfs/dbraw/zinc/53/57/46/344535746.db2.gz GBQMXRQKOUDGDS-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN C[C@H](C#N)CC(=O)[C@@H]1CCC[C@@H](C)C1 227573241 344535772 /nfs/dbraw/zinc/53/57/72/344535772.db2.gz XYEPAHLDOXFEGN-OUAUKWLOSA-N 0 0 193.290 2.932 10 30 AFEERN C[C@@H]1CCC[C@H](C(=O)[C@H](C)CC#N)C1 227571311 344535998 /nfs/dbraw/zinc/53/59/98/344535998.db2.gz HAZGHCOVTZNGRB-MXWKQRLJSA-N 0 0 193.290 2.932 10 30 AFEERN C=C(C)C[C@H](O)[C@@H]1CC[C@H](C)C1 227576123 344536001 /nfs/dbraw/zinc/53/60/01/344536001.db2.gz GBQMXRQKOUDGDS-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C[C@@H]1CCC[C@@H](C(=O)[C@H](C)CC#N)C1 227571301 344536234 /nfs/dbraw/zinc/53/62/34/344536234.db2.gz HAZGHCOVTZNGRB-GMTAPVOTSA-N 0 0 193.290 2.932 10 30 AFEERN CC(C)Nc1cc(F)cc(C#N)c1 227603686 344536479 /nfs/dbraw/zinc/53/64/79/344536479.db2.gz GKIGLUDDBDONQC-UHFFFAOYSA-N 0 0 178.210 2.518 10 30 AFEERN CCN(CC)c1cc(F)cc(C#N)c1 227603643 344536570 /nfs/dbraw/zinc/53/65/70/344536570.db2.gz LKVMKFJBJUPWMH-UHFFFAOYSA-N 0 0 192.237 2.544 10 30 AFEERN CC(C)(C)Nc1cc(F)cc(C#N)c1 227603658 344536631 /nfs/dbraw/zinc/53/66/31/344536631.db2.gz DEKHYVILRGWGBK-UHFFFAOYSA-N 0 0 192.237 2.908 10 30 AFEERN CCCN(C)c1cc(F)cc(C#N)c1 227607475 344536739 /nfs/dbraw/zinc/53/67/39/344536739.db2.gz CQJGNPHFKCYGJU-UHFFFAOYSA-N 0 0 192.237 2.544 10 30 AFEERN C[C@@H]1C[C@H]1Nc1cc(F)cc(C#N)c1 227616095 344537195 /nfs/dbraw/zinc/53/71/95/344537195.db2.gz AOLZUAAXNASCFF-RDDDGLTNSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@@H]1C[C@@H]1Nc1cc(F)cc(C#N)c1 227616083 344537261 /nfs/dbraw/zinc/53/72/61/344537261.db2.gz AOLZUAAXNASCFF-HQJQHLMTSA-N 0 0 190.221 2.518 10 30 AFEERN C[C@H]1C[C@@H]1Nc1cc(F)cc(C#N)c1 227616088 344537301 /nfs/dbraw/zinc/53/73/01/344537301.db2.gz AOLZUAAXNASCFF-CPCISQLKSA-N 0 0 190.221 2.518 10 30 AFEERN C=C[C@H](C)Nc1cccc(C#N)c1 227629553 344540839 /nfs/dbraw/zinc/54/08/39/344540839.db2.gz HYEYHUVDZZQSOY-VIFPVBQESA-N 0 0 172.231 2.545 10 30 AFEERN CCCCOc1cc(F)cc(C#N)c1 227635036 344540872 /nfs/dbraw/zinc/54/08/72/344540872.db2.gz HWVWTUDMRPPQSD-UHFFFAOYSA-N 0 0 193.221 2.876 10 30 AFEERN CN(c1cccc(C#N)c1)C1CCC1 227630350 344540910 /nfs/dbraw/zinc/54/09/10/344540910.db2.gz RMSQECNHCJXYPY-UHFFFAOYSA-N 0 0 186.258 2.547 10 30 AFEERN CC1(Nc2cccc(C#N)c2)CC1 227629740 344540953 /nfs/dbraw/zinc/54/09/53/344540953.db2.gz RMMUJLPDXYSDJQ-UHFFFAOYSA-N 0 0 172.231 2.523 10 30 AFEERN C=C[C@@H](C)Nc1cccc(C#N)c1 227629546 344540986 /nfs/dbraw/zinc/54/09/86/344540986.db2.gz HYEYHUVDZZQSOY-SECBINFHSA-N 0 0 172.231 2.545 10 30 AFEERN C/C=C/CCNc1cccc(C#N)c1 227629137 344540997 /nfs/dbraw/zinc/54/09/97/344540997.db2.gz HBDBZWPYCUFPHG-NSCUHMNNSA-N 0 0 186.258 2.936 10 30 AFEERN C=C[C@@H]1C[C@H]1[C@@H](O)c1ccccc1 227658780 344542800 /nfs/dbraw/zinc/54/28/00/344542800.db2.gz NPHCVSATUAWSGW-JLLWLGSASA-N 0 0 174.243 2.542 10 30 AFEERN C=C[C@@H]1C[C@@H]1[C@@H](O)c1ccccc1 227658769 344542895 /nfs/dbraw/zinc/54/28/95/344542895.db2.gz NPHCVSATUAWSGW-USWWRNFRSA-N 0 0 174.243 2.542 10 30 AFEERN C=CCC(=O)c1ccsc1C 227775710 344547233 /nfs/dbraw/zinc/54/72/33/344547233.db2.gz POHMWFSICYXJME-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN Cc1sccc1C1=CC(=O)CC1 227854540 344548873 /nfs/dbraw/zinc/54/88/73/344548873.db2.gz OKIFPPIZDMMNFZ-UHFFFAOYSA-N 0 0 178.256 2.803 10 30 AFEERN C#CCCC[C@]1(O)CCC[C@H](C)[C@@H]1C 227904752 344549846 /nfs/dbraw/zinc/54/98/46/344549846.db2.gz JNAPZJIMCDQSBU-AVGNSLFASA-N 0 0 194.318 2.977 10 30 AFEERN C#CCCC[C@]1(O)CCC[C@@H](C)[C@@H]1C 227904744 344549892 /nfs/dbraw/zinc/54/98/92/344549892.db2.gz JNAPZJIMCDQSBU-AGIUHOORSA-N 0 0 194.318 2.977 10 30 AFEERN C#CCCC[C@]1(O)CC[C@H](C)C[C@@H]1C 227904769 344550043 /nfs/dbraw/zinc/55/00/43/344550043.db2.gz JWWHIDPXEASBTH-AVGNSLFASA-N 0 0 194.318 2.977 10 30 AFEERN CC[C@H](C#N)N1CC[C@@H]2CCCC[C@H]21 227977799 344553834 /nfs/dbraw/zinc/55/38/34/344553834.db2.gz XXEGDCATJWOPGT-QJPTWQEYSA-N 0 0 192.306 2.553 10 30 AFEERN CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1C=O 227991446 344554733 /nfs/dbraw/zinc/55/47/33/344554733.db2.gz HZLIGOCFHWFFPX-ATZCPNFKSA-N 0 0 166.264 2.648 10 30 AFEERN CCO[C@H](C#N)[C@@H]1CCC[C@@H](C)C1 228088194 344557049 /nfs/dbraw/zinc/55/70/49/344557049.db2.gz MHKPBSXQDZMBHW-GMTAPVOTSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@H](C#N)[C@H]1CCC[C@@H](C)C1 228088208 344557100 /nfs/dbraw/zinc/55/71/00/344557100.db2.gz MHKPBSXQDZMBHW-OUAUKWLOSA-N 0 0 181.279 2.741 10 30 AFEERN CO[C@]1(C#N)C[C@@H](C)CC[C@@H]1C(C)C 228088686 344557198 /nfs/dbraw/zinc/55/71/98/344557198.db2.gz UOVKDMUHYJIVES-TUAOUCFPSA-N 0 0 195.306 2.987 10 30 AFEERN CO[C@]1(C#N)C[C@H](C)CC[C@@H]1C(C)C 228088697 344557211 /nfs/dbraw/zinc/55/72/11/344557211.db2.gz UOVKDMUHYJIVES-UTUOFQBUSA-N 0 0 195.306 2.987 10 30 AFEERN CC/C(=C\C(C)=O)C(C)C 228124592 344557638 /nfs/dbraw/zinc/55/76/38/344557638.db2.gz JOAXUKFWALHOKS-RMKNXTFCSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@H]1CC/C(=C/C(C)=O)C1 228125427 344557652 /nfs/dbraw/zinc/55/76/52/344557652.db2.gz ANMGCLRJOVYWSF-LKJZUNMESA-N 0 0 152.237 2.712 10 30 AFEERN C#CC[C@H](O)[C@@H]1CCC[C@H](CC)C1 228108301 344557682 /nfs/dbraw/zinc/55/76/82/344557682.db2.gz GXJJUADMIVGILK-TUAOUCFPSA-N 0 0 180.291 2.587 10 30 AFEERN CC(=O)/C=C1\C[C@H](C)CC[C@H]1C 228124453 344557726 /nfs/dbraw/zinc/55/77/26/344557726.db2.gz PSNDNKQUWGRDAW-BGGKSXLFSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H]1CC/C(=C/C(C)=O)C1 228125409 344557817 /nfs/dbraw/zinc/55/78/17/344557817.db2.gz ANMGCLRJOVYWSF-WPVMNKCKSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C=C1/CC[C@H](C)[C@@H](C)C1 228125204 344557877 /nfs/dbraw/zinc/55/78/77/344557877.db2.gz NWKPUARIOZRQBH-AYKAQRMPSA-N 0 0 166.264 2.958 10 30 AFEERN CC#CC[C@H](O)[C@H]1CCC[C@H](CC)C1 228107753 344557882 /nfs/dbraw/zinc/55/78/82/344557882.db2.gz FLPGLQUAIGDVEB-AVGNSLFASA-N 0 0 194.318 2.977 10 30 AFEERN CC#CC[C@H](O)[C@@H]1CCC[C@H](CC)C1 228107761 344557899 /nfs/dbraw/zinc/55/78/99/344557899.db2.gz FLPGLQUAIGDVEB-XQQFMLRXSA-N 0 0 194.318 2.977 10 30 AFEERN C#CC[C@H](O)[C@H]1CCC[C@H](CC)C1 228108284 344557944 /nfs/dbraw/zinc/55/79/44/344557944.db2.gz GXJJUADMIVGILK-SRVKXCTJSA-N 0 0 180.291 2.587 10 30 AFEERN CC(=O)/C=C(/C)CC(C)C 228236150 344560122 /nfs/dbraw/zinc/56/01/22/344560122.db2.gz XOTICVNHWPZNJX-VURMDHGXSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@@H](C)/C(C)=C\C(C)=O 228236333 344560256 /nfs/dbraw/zinc/56/02/56/344560256.db2.gz YUDLCGLDGITZFO-QHRPWQPMSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@H](C)/C(C)=C\C(C)=O 228236343 344560350 /nfs/dbraw/zinc/56/03/50/344560350.db2.gz YUDLCGLDGITZFO-VQKCLUMFSA-N 0 0 140.226 2.568 10 30 AFEERN CC(=O)/C=C1/CCC[C@@H](C)C1 228239354 344560801 /nfs/dbraw/zinc/56/08/01/344560801.db2.gz SYWCBIXITCYCQY-FBHKUJJOSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C=C1/CCC[C@H](C)C1 228239364 344560818 /nfs/dbraw/zinc/56/08/18/344560818.db2.gz SYWCBIXITCYCQY-LRUQUBRESA-N 0 0 152.237 2.712 10 30 AFEERN C#Cc1cccc(N[C@H](C)C(F)F)c1 228477202 344562603 /nfs/dbraw/zinc/56/26/03/344562603.db2.gz STYRALWTFHVZHK-MRVPVSSYSA-N 0 0 195.212 2.733 10 30 AFEERN C#CCC[C@@H](O)c1ccc(C)cc1F 228647707 344565382 /nfs/dbraw/zinc/56/53/82/344565382.db2.gz QKPRAORCYWOSPA-GFCCVEGCSA-N 0 0 192.233 2.581 10 30 AFEERN C#CCC[C@H](O)c1ccc(C)cc1F 228647700 344565555 /nfs/dbraw/zinc/56/55/55/344565555.db2.gz QKPRAORCYWOSPA-LBPRGKRZSA-N 0 0 192.233 2.581 10 30 AFEERN C#CCC[C@H](O)c1cc(C)ccc1F 228646905 344565599 /nfs/dbraw/zinc/56/55/99/344565599.db2.gz DCZASPUIECTJQN-LBPRGKRZSA-N 0 0 192.233 2.581 10 30 AFEERN C#CCC[C@@H](O)c1cc(C)ccc1F 228646913 344565667 /nfs/dbraw/zinc/56/56/67/344565667.db2.gz DCZASPUIECTJQN-GFCCVEGCSA-N 0 0 192.233 2.581 10 30 AFEERN CC1([NH2+][C@H]2CCCC[C@H]2C#N)CCC1 228849090 344570506 /nfs/dbraw/zinc/57/05/06/344570506.db2.gz PCXWGDOLQQOQSK-QWRGUYRKSA-N 0 0 192.306 2.601 10 30 AFEERN CC1([NH2+][C@@H]2CCCC[C@H]2C#N)CCC1 228849083 344570596 /nfs/dbraw/zinc/57/05/96/344570596.db2.gz PCXWGDOLQQOQSK-WDEREUQCSA-N 0 0 192.306 2.601 10 30 AFEERN CC1([NH2+][C@H]2CCCC[C@@H]2C#N)CCC1 228849077 344570708 /nfs/dbraw/zinc/57/07/08/344570708.db2.gz PCXWGDOLQQOQSK-MNOVXSKESA-N 0 0 192.306 2.601 10 30 AFEERN CC1([NH2+][C@@H]2CCCC[C@@H]2C#N)CCC1 228849070 344570732 /nfs/dbraw/zinc/57/07/32/344570732.db2.gz PCXWGDOLQQOQSK-GHMZBOCLSA-N 0 0 192.306 2.601 10 30 AFEERN C#CC[C@H](C)n1c(C)cc(C=O)c1C 228966636 344578071 /nfs/dbraw/zinc/57/80/71/344578071.db2.gz BAWIHSLSWZSDJG-VIFPVBQESA-N 0 0 189.258 2.502 10 30 AFEERN C#CC[C@@H](C)n1c(C)cc(C=O)c1C 228966643 344578095 /nfs/dbraw/zinc/57/80/95/344578095.db2.gz BAWIHSLSWZSDJG-SECBINFHSA-N 0 0 189.258 2.502 10 30 AFEERN C=CCNc1ccc2ncsc2c1 229005162 344579456 /nfs/dbraw/zinc/57/94/56/344579456.db2.gz HYBORRZXOBFGRS-UHFFFAOYSA-N 0 0 190.271 2.894 10 30 AFEERN C=C(C)CC[C@@H]1CCC(=O)C1 229092006 344581931 /nfs/dbraw/zinc/58/19/31/344581931.db2.gz KVSZASYJDMGGDQ-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@H](C)Nc1ccccc1C#N 229227937 344586771 /nfs/dbraw/zinc/58/67/71/344586771.db2.gz MCZXWXJEOLOQMN-VIFPVBQESA-N 0 0 172.231 2.545 10 30 AFEERN C=C[C@@H](C)Nc1ccccc1C#N 229227928 344586826 /nfs/dbraw/zinc/58/68/26/344586826.db2.gz MCZXWXJEOLOQMN-SECBINFHSA-N 0 0 172.231 2.545 10 30 AFEERN C#CC(C)(C)Nc1cccc(Cl)n1 229303531 344590148 /nfs/dbraw/zinc/59/01/48/344590148.db2.gz JHAVVYFSVUXEDZ-UHFFFAOYSA-N 0 0 194.665 2.559 10 30 AFEERN C#CC(C)(C)Nc1ccnc(Cl)c1 229304260 344590244 /nfs/dbraw/zinc/59/02/44/344590244.db2.gz FIDIWXPEHZHVGM-UHFFFAOYSA-N 0 0 194.665 2.559 10 30 AFEERN C=C[C@H](C)Nc1cc(Cl)ccc1N 229316211 344590650 /nfs/dbraw/zinc/59/06/50/344590650.db2.gz YUAHVILQKIVIBE-ZETCQYMHSA-N 0 0 196.681 2.909 10 30 AFEERN C=C[C@H](C)Nc1ccc(C)cc1N 229315338 344590653 /nfs/dbraw/zinc/59/06/53/344590653.db2.gz JDFDQLWRZHSAMV-VIFPVBQESA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@@H](C)Nc1c(N)cccc1Cl 229314875 344590657 /nfs/dbraw/zinc/59/06/57/344590657.db2.gz KVNLXGIITBZQQD-SSDOTTSWSA-N 0 0 196.681 2.909 10 30 AFEERN SC[C@H]1CCC2(CCCCC2)O1 229315575 344590782 /nfs/dbraw/zinc/59/07/82/344590782.db2.gz YCJLRWTVPCQJSF-SECBINFHSA-N 0 0 186.320 2.798 10 30 AFEERN C=C[C@H](C)Nc1cccc(N)c1C 229314590 344590687 /nfs/dbraw/zinc/59/06/87/344590687.db2.gz LHJMXTUTVUREDA-QMMMGPOBSA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@@H](C)Nc1cccc(N)c1C 229314580 344590689 /nfs/dbraw/zinc/59/06/89/344590689.db2.gz LHJMXTUTVUREDA-MRVPVSSYSA-N 0 0 176.263 2.564 10 30 AFEERN N#CC[C@H]1CCC2(CCCCC2)O1 229314015 344590707 /nfs/dbraw/zinc/59/07/07/344590707.db2.gz VLODLLVMRCTGSB-SNVBAGLBSA-N 0 0 179.263 2.782 10 30 AFEERN SC[C@@H]1CCC2(CCCCC2)O1 229315564 344590761 /nfs/dbraw/zinc/59/07/61/344590761.db2.gz YCJLRWTVPCQJSF-VIFPVBQESA-N 0 0 186.320 2.798 10 30 AFEERN C=C[C@@H](C)Nc1ccc(Cl)cc1N 229316449 344590779 /nfs/dbraw/zinc/59/07/79/344590779.db2.gz ZGMBZIRXBCEQSJ-SSDOTTSWSA-N 0 0 196.681 2.909 10 30 AFEERN N#CC[C@@H]1CCC2(CCCCC2)O1 229314002 344590811 /nfs/dbraw/zinc/59/08/11/344590811.db2.gz VLODLLVMRCTGSB-JTQLQIEISA-N 0 0 179.263 2.782 10 30 AFEERN C=C[C@@H](C)Nc1ccc(N)cc1C 229314927 344590817 /nfs/dbraw/zinc/59/08/17/344590817.db2.gz LIUGFFQGVLREMJ-SECBINFHSA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@@H](C)Nc1cc(C)cc(N)c1 229315475 344590849 /nfs/dbraw/zinc/59/08/49/344590849.db2.gz WURFCJJATUPRAV-SECBINFHSA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@H](C)Nc1ccc(N)cc1C 229314938 344590878 /nfs/dbraw/zinc/59/08/78/344590878.db2.gz LIUGFFQGVLREMJ-VIFPVBQESA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@H](C)Nc1ccc(Cl)cc1N 229316458 344590922 /nfs/dbraw/zinc/59/09/22/344590922.db2.gz ZGMBZIRXBCEQSJ-ZETCQYMHSA-N 0 0 196.681 2.909 10 30 AFEERN C=C[C@H](C)Nc1c(N)cccc1Cl 229314885 344590930 /nfs/dbraw/zinc/59/09/30/344590930.db2.gz KVNLXGIITBZQQD-ZETCQYMHSA-N 0 0 196.681 2.909 10 30 AFEERN C=C[C@H](C)Nc1cc(C)cc(N)c1 229315485 344590949 /nfs/dbraw/zinc/59/09/49/344590949.db2.gz WURFCJJATUPRAV-VIFPVBQESA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@@H](C)Nc1ccc(C)cc1N 229315329 344590979 /nfs/dbraw/zinc/59/09/79/344590979.db2.gz JDFDQLWRZHSAMV-SECBINFHSA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@@H](C)Nc1cc(Cl)ccc1N 229316202 344591001 /nfs/dbraw/zinc/59/10/01/344591001.db2.gz YUAHVILQKIVIBE-SSDOTTSWSA-N 0 0 196.681 2.909 10 30 AFEERN C=C[C@@H](C)Nc1cc(N)ccc1C 229317276 344591171 /nfs/dbraw/zinc/59/11/71/344591171.db2.gz VBWFELDBOXZKJW-SECBINFHSA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@H](C)Nc1cc(N)ccc1C 229317286 344591235 /nfs/dbraw/zinc/59/12/35/344591235.db2.gz VBWFELDBOXZKJW-VIFPVBQESA-N 0 0 176.263 2.564 10 30 AFEERN C=CC[C@@H](C)Nc1ccnc(F)c1 229325477 344591237 /nfs/dbraw/zinc/59/12/37/344591237.db2.gz DURYMDHHVVSYBU-MRVPVSSYSA-N 0 0 180.226 2.597 10 30 AFEERN C=C[C@@H](C)Nc1ccc(N)c(C)c1 229317231 344591240 /nfs/dbraw/zinc/59/12/40/344591240.db2.gz FEDJVRHVMNETKQ-SECBINFHSA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@H](C)Nc1c(C)cccc1N 229317371 344591246 /nfs/dbraw/zinc/59/12/46/344591246.db2.gz CYHMLWKPSMGEAN-VIFPVBQESA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@@H](C)Nc1c(C)cccc1N 229317366 344591272 /nfs/dbraw/zinc/59/12/72/344591272.db2.gz CYHMLWKPSMGEAN-SECBINFHSA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@H](C)Nc1cccc(Cl)c1N 229317458 344591292 /nfs/dbraw/zinc/59/12/92/344591292.db2.gz GOQCEFJSMWVGQO-ZETCQYMHSA-N 0 0 196.681 2.909 10 30 AFEERN C=C[C@@H](C)Nc1cccc(Cl)c1N 229317451 344591321 /nfs/dbraw/zinc/59/13/21/344591321.db2.gz GOQCEFJSMWVGQO-SSDOTTSWSA-N 0 0 196.681 2.909 10 30 AFEERN C=CC[C@H](C)Nc1ccnc(F)c1 229325489 344591324 /nfs/dbraw/zinc/59/13/24/344591324.db2.gz DURYMDHHVVSYBU-QMMMGPOBSA-N 0 0 180.226 2.597 10 30 AFEERN C=C[C@@H](C)Nc1ccc(C)c(N)c1 229317084 344591376 /nfs/dbraw/zinc/59/13/76/344591376.db2.gz PDTZOAFBWIWYBQ-SECBINFHSA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@H](C)Nc1ccc(N)c(C)c1 229317239 344591393 /nfs/dbraw/zinc/59/13/93/344591393.db2.gz FEDJVRHVMNETKQ-VIFPVBQESA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@H](C)Nc1ccc(C)c(N)c1 229317091 344591427 /nfs/dbraw/zinc/59/14/27/344591427.db2.gz PDTZOAFBWIWYBQ-VIFPVBQESA-N 0 0 176.263 2.564 10 30 AFEERN CC#CCCNc1cccc(Cl)n1 229331124 344591795 /nfs/dbraw/zinc/59/17/95/344591795.db2.gz JBGXPKKABAYCQU-UHFFFAOYSA-N 0 0 194.665 2.560 10 30 AFEERN C=CC[C@@H](C)Nc1nccnc1Cl 229326260 344591796 /nfs/dbraw/zinc/59/17/96/344591796.db2.gz DNASORWZNPSOKA-SSDOTTSWSA-N 0 0 197.669 2.507 10 30 AFEERN C#CC[C@@H](C)Nc1cccc(Cl)n1 229327296 344591815 /nfs/dbraw/zinc/59/18/15/344591815.db2.gz ZKZPJGKJEUDIJA-MRVPVSSYSA-N 0 0 194.665 2.559 10 30 AFEERN C#CC[C@H](C)Nc1cccc(Cl)n1 229327306 344591824 /nfs/dbraw/zinc/59/18/24/344591824.db2.gz ZKZPJGKJEUDIJA-QMMMGPOBSA-N 0 0 194.665 2.559 10 30 AFEERN CC#CCCNc1ccnc(Cl)c1 229331859 344591838 /nfs/dbraw/zinc/59/18/38/344591838.db2.gz XXZLYLXBILUUCL-UHFFFAOYSA-N 0 0 194.665 2.560 10 30 AFEERN C=C(C)CNc1ccnc(Cl)c1 229342820 344591939 /nfs/dbraw/zinc/59/19/39/344591939.db2.gz BSPMHUZDFVPYGH-UHFFFAOYSA-N 0 0 182.654 2.723 10 30 AFEERN C=C(C)CNc1cccc(Cl)n1 229342035 344592040 /nfs/dbraw/zinc/59/20/40/344592040.db2.gz HHICWHAPCYCEDB-UHFFFAOYSA-N 0 0 182.654 2.723 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CCC[C@@H]1C 229479652 344597321 /nfs/dbraw/zinc/59/73/21/344597321.db2.gz ZQKCBHUHCGLHOE-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=CC(=O)[C@H]1CCC[C@H]1C 229479682 344597351 /nfs/dbraw/zinc/59/73/51/344597351.db2.gz ZQKCBHUHCGLHOE-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=CC(=O)[C@H]1CCC[C@@H]1C 229479661 344597356 /nfs/dbraw/zinc/59/73/56/344597356.db2.gz ZQKCBHUHCGLHOE-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CC1(C)C 229480173 344597390 /nfs/dbraw/zinc/59/73/90/344597390.db2.gz HNBWZORRTDHRDP-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CCC(=O)C1=CC[C@@H](C)CC1 229478924 344597406 /nfs/dbraw/zinc/59/74/06/344597406.db2.gz ZWVYEKKNKYYGJE-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)=CC(=O)[C@H]1CC1(C)C 229480185 344597409 /nfs/dbraw/zinc/59/74/09/344597409.db2.gz HNBWZORRTDHRDP-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CCC[C@H]1C 229479671 344597418 /nfs/dbraw/zinc/59/74/18/344597418.db2.gz ZQKCBHUHCGLHOE-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)c1sccc1C 229488298 344597764 /nfs/dbraw/zinc/59/77/64/344597764.db2.gz KOFILEYTIQETFM-ONEGZZNKSA-N 0 0 166.245 2.815 10 30 AFEERN CC(=O)/C(C)=C/c1cccs1 229488454 344597839 /nfs/dbraw/zinc/59/78/39/344597839.db2.gz ACFLWTOMQJUTOL-VOTSOKGWSA-N 0 0 166.245 2.740 10 30 AFEERN C=CC(=O)C1(C)CCCCC1 229488896 344597886 /nfs/dbraw/zinc/59/78/86/344597886.db2.gz OWQWQPLOVJHTJQ-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C(=O)c1csc(C)c1 229488441 344598080 /nfs/dbraw/zinc/59/80/80/344598080.db2.gz AZQZDJRFUDAAML-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN CCC[C@@H](C)C1=CC(=O)CC1 229498771 344598423 /nfs/dbraw/zinc/59/84/23/344598423.db2.gz KAGPFSYQDJWYMT-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN C#C[C@H](CC)Nc1cccc(F)c1 229509559 344598798 /nfs/dbraw/zinc/59/87/98/344598798.db2.gz BZXMVQOYBDHIBN-SNVBAGLBSA-N 0 0 177.222 2.649 10 30 AFEERN C#C[C@@H](CC)Nc1cccc(C)c1 229506741 344598833 /nfs/dbraw/zinc/59/88/33/344598833.db2.gz DGHSHPXACLDDLT-NSHDSACASA-N 0 0 173.259 2.819 10 30 AFEERN CC(=O)/C(C)=C/c1ccccc1F 229501937 344598868 /nfs/dbraw/zinc/59/88/68/344598868.db2.gz SXMACBRMGKIELX-BQYQJAHWSA-N 0 0 178.206 2.818 10 30 AFEERN CC(=O)/C(C)=C/c1cccc(F)c1 229501912 344598938 /nfs/dbraw/zinc/59/89/38/344598938.db2.gz GTGXUPIVPHIMLG-SOFGYWHQSA-N 0 0 178.206 2.818 10 30 AFEERN C#C[C@H](CC)Nc1ccc(C)cc1 229510515 344599395 /nfs/dbraw/zinc/59/93/95/344599395.db2.gz HSRSGHNYPKCWCY-LLVKDONJSA-N 0 0 173.259 2.819 10 30 AFEERN C#C[C@@H](CC)Nc1ccc(F)cc1 229509688 344599359 /nfs/dbraw/zinc/59/93/59/344599359.db2.gz BININWWZLLLJDU-JTQLQIEISA-N 0 0 177.222 2.649 10 30 AFEERN C#C[C@@H](CC)Nc1ccccc1C 229510602 344599361 /nfs/dbraw/zinc/59/93/61/344599361.db2.gz MZOHZJYLJPHSDD-NSHDSACASA-N 0 0 173.259 2.819 10 30 AFEERN C/C=C(\CC)C(=O)C(C)C 229511322 344599399 /nfs/dbraw/zinc/59/93/99/344599399.db2.gz MLNPAKISZYARNE-VMPITWQZSA-N 0 0 140.226 2.568 10 30 AFEERN C#C[C@@H](CC)Nc1ccc(C)cc1 229510507 344599430 /nfs/dbraw/zinc/59/94/30/344599430.db2.gz HSRSGHNYPKCWCY-NSHDSACASA-N 0 0 173.259 2.819 10 30 AFEERN C#C[C@@H](CC)Nc1ccccc1F 229509781 344599478 /nfs/dbraw/zinc/59/94/78/344599478.db2.gz NGWNPOUVSFLJDS-VIFPVBQESA-N 0 0 177.222 2.649 10 30 AFEERN C#C[C@H](CC)Nc1cc(F)cc(F)c1 229510236 344599540 /nfs/dbraw/zinc/59/95/40/344599540.db2.gz RTOLHKILXNISFT-SNVBAGLBSA-N 0 0 195.212 2.789 10 30 AFEERN C#C[C@@H](CC)Nc1cccc(OC)c1 229510454 344599570 /nfs/dbraw/zinc/59/95/70/344599570.db2.gz YJXUVNVZCSJRNQ-JTQLQIEISA-N 0 0 189.258 2.519 10 30 AFEERN C#C[C@H](CC)Nc1ccccc1C 229510611 344599584 /nfs/dbraw/zinc/59/95/84/344599584.db2.gz MZOHZJYLJPHSDD-LLVKDONJSA-N 0 0 173.259 2.819 10 30 AFEERN C#C[C@H](CC)Nc1cc(F)ccc1C 229509992 344599614 /nfs/dbraw/zinc/59/96/14/344599614.db2.gz YKTVKRBBVNFBKK-LLVKDONJSA-N 0 0 191.249 2.958 10 30 AFEERN C#C[C@H](CC)Nc1ccccc1F 229509791 344599619 /nfs/dbraw/zinc/59/96/19/344599619.db2.gz NGWNPOUVSFLJDS-SECBINFHSA-N 0 0 177.222 2.649 10 30 AFEERN C#C[C@H](CC)Nc1ccc(F)cc1 229509697 344599627 /nfs/dbraw/zinc/59/96/27/344599627.db2.gz BININWWZLLLJDU-SNVBAGLBSA-N 0 0 177.222 2.649 10 30 AFEERN C#C[C@@H](CC)Nc1cc(F)ccc1C 229509985 344599638 /nfs/dbraw/zinc/59/96/38/344599638.db2.gz YKTVKRBBVNFBKK-NSHDSACASA-N 0 0 191.249 2.958 10 30 AFEERN C#C[C@H](CC)Nc1cccc(OC)c1 229510463 344599680 /nfs/dbraw/zinc/59/96/80/344599680.db2.gz YJXUVNVZCSJRNQ-SNVBAGLBSA-N 0 0 189.258 2.519 10 30 AFEERN C#C[C@@H](CC)Nc1cc(F)cc(F)c1 229510225 344599728 /nfs/dbraw/zinc/59/97/28/344599728.db2.gz RTOLHKILXNISFT-JTQLQIEISA-N 0 0 195.212 2.789 10 30 AFEERN C#C[C@H](CC)Nc1cccc(F)c1F 229516245 344600083 /nfs/dbraw/zinc/60/00/83/344600083.db2.gz ZHHQUTYCIHNEGR-MRVPVSSYSA-N 0 0 195.212 2.789 10 30 AFEERN C#C[C@@H](CC)Nc1cccc(F)c1F 229516235 344600098 /nfs/dbraw/zinc/60/00/98/344600098.db2.gz ZHHQUTYCIHNEGR-QMMMGPOBSA-N 0 0 195.212 2.789 10 30 AFEERN C/C=C/C(=O)c1ccsc1 229521392 344600101 /nfs/dbraw/zinc/60/01/01/344600101.db2.gz QZOKPQXQGUAKKV-NSCUHMNNSA-N 0 0 152.218 2.507 10 30 AFEERN CC(=O)/C(C)=C/c1ccsc1 229523915 344600547 /nfs/dbraw/zinc/60/05/47/344600547.db2.gz SNZXPKKGVBHXBX-FNORWQNLSA-N 0 0 166.245 2.740 10 30 AFEERN C#C[C@@H](C)Nc1cc(F)cc(F)c1F 229529009 344600639 /nfs/dbraw/zinc/60/06/39/344600639.db2.gz PGJBJTPFSSZNOX-ZCFIWIBFSA-N 0 0 199.175 2.538 10 30 AFEERN C#C[C@@H](C)Nc1cc(F)c(F)cc1F 229528972 344600707 /nfs/dbraw/zinc/60/07/07/344600707.db2.gz STJPZGJOHODVEK-ZCFIWIBFSA-N 0 0 199.175 2.538 10 30 AFEERN C#C[C@H](CC)Nc1ccsc1 229540125 344601776 /nfs/dbraw/zinc/60/17/76/344601776.db2.gz HCRBDBZRZHNEJB-MRVPVSSYSA-N 0 0 165.261 2.572 10 30 AFEERN C#C[C@@H](CC)Nc1ccsc1 229540118 344601839 /nfs/dbraw/zinc/60/18/39/344601839.db2.gz HCRBDBZRZHNEJB-QMMMGPOBSA-N 0 0 165.261 2.572 10 30 AFEERN CC[C@H]1CCC[C@@]1(C#N)N1CCCC1 229663192 344609728 /nfs/dbraw/zinc/60/97/28/344609728.db2.gz UTVMUMZBLKOCRI-RYUDHWBXSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@H]1CCC[C@]1(C#N)N1CCCC1 229663209 344609808 /nfs/dbraw/zinc/60/98/08/344609808.db2.gz UTVMUMZBLKOCRI-NWDGAFQWSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@@H]1CCC/C1=C/C(C)=O 229679872 344611440 /nfs/dbraw/zinc/61/14/40/344611440.db2.gz AEGAMMJHJPEPJL-SBMLRHLQSA-N 0 0 152.237 2.712 10 30 AFEERN CC#CCC[C@]1(O)CCC[C@H]1CC 229695025 344611749 /nfs/dbraw/zinc/61/17/49/344611749.db2.gz DMKADMBAJYYMMD-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@]1(O)CCC[C@@H]1CC 229695030 344611788 /nfs/dbraw/zinc/61/17/88/344611788.db2.gz DMKADMBAJYYMMD-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@@]1(O)CCC[C@@H]1CC 229695042 344611793 /nfs/dbraw/zinc/61/17/93/344611793.db2.gz DMKADMBAJYYMMD-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN C=C(C)[C@]1(O)CCC[C@@H]1CC 229698701 344612176 /nfs/dbraw/zinc/61/21/76/344612176.db2.gz MDVHIPXWYVBLRL-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)[C@@]1(O)CCC[C@@H]1CC 229698712 344612227 /nfs/dbraw/zinc/61/22/27/344612227.db2.gz MDVHIPXWYVBLRL-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN CC[C@H]1CCC[C@]1(O)C1(C#N)CCC1 229707765 344612571 /nfs/dbraw/zinc/61/25/71/344612571.db2.gz PLUUNLCWPOJPJL-CMPLNLGQSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H]1CCC[C@@]1(O)C1(C#N)CCC1 229707748 344612579 /nfs/dbraw/zinc/61/25/79/344612579.db2.gz PLUUNLCWPOJPJL-JQWIXIFHSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@H]1CCC[C@]1(O)C1(C#N)CCC1 229707754 344612756 /nfs/dbraw/zinc/61/27/56/344612756.db2.gz PLUUNLCWPOJPJL-ZYHUDNBSSA-N 0 0 193.290 2.621 10 30 AFEERN CCSCc1ccc(F)c(C#N)c1 229721555 344612924 /nfs/dbraw/zinc/61/29/24/344612924.db2.gz YFJRDLQRQDCZTL-UHFFFAOYSA-N 0 0 195.262 2.950 10 30 AFEERN C#CC[C@@H](C)Nc1ccnc(Cl)c1 229734220 344613026 /nfs/dbraw/zinc/61/30/26/344613026.db2.gz XFSUFHWRJWKBON-MRVPVSSYSA-N 0 0 194.665 2.559 10 30 AFEERN C[C@@](Cl)(C#N)CC1CCC1 229753012 344614089 /nfs/dbraw/zinc/61/40/89/344614089.db2.gz PFAYVYURMUHTBJ-QMMMGPOBSA-N 0 0 157.644 2.698 10 30 AFEERN C=C(C)CC1CCC1 229756987 344615191 /nfs/dbraw/zinc/61/51/91/344615191.db2.gz VMPINFQCRYMTQB-UHFFFAOYSA-N 0 0 110.200 2.753 10 30 AFEERN C=C(C)CC[C@@H]1CC[C@H](O)[C@@H]1C 229780091 344615587 /nfs/dbraw/zinc/61/55/87/344615587.db2.gz APYCGSMMWJHYBZ-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C[C@@](O)(CC1CCC1)C1(C#N)CCC1 229767007 344615701 /nfs/dbraw/zinc/61/57/01/344615701.db2.gz YKFSMWZWLMGWGS-LLVKDONJSA-N 0 0 193.290 2.621 10 30 AFEERN C=C(C)CC[C@@H]1CC[C@@H](O)[C@@H]1C 229780082 344615723 /nfs/dbraw/zinc/61/57/23/344615723.db2.gz APYCGSMMWJHYBZ-GMTAPVOTSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1cc(C)nc(S[C@@H](C)C#N)c1 229851699 344618059 /nfs/dbraw/zinc/61/80/59/344618059.db2.gz GIOGHGPDZFHGAL-VIFPVBQESA-N 0 0 192.287 2.703 10 30 AFEERN Cc1cc(C)nc(S[C@H](C)C#N)c1 229851704 344618198 /nfs/dbraw/zinc/61/81/98/344618198.db2.gz GIOGHGPDZFHGAL-SECBINFHSA-N 0 0 192.287 2.703 10 30 AFEERN Cc1cc(C(C)C)nc(N=[N+]=[N-])n1 229932905 344620649 /nfs/dbraw/zinc/62/06/49/344620649.db2.gz INPAHOHXFVTSTB-UHFFFAOYSA-N 0 0 177.211 2.850 10 30 AFEERN O=CCCc1sccc1Cl 229948357 344620982 /nfs/dbraw/zinc/62/09/82/344620982.db2.gz XUVUDZJFRSWBBM-UHFFFAOYSA-N 0 0 174.652 2.533 10 30 AFEERN C[C@H](C=O)Cc1sccc1Cl 229948413 344621279 /nfs/dbraw/zinc/62/12/79/344621279.db2.gz SAKKBMMNXHWRKO-LURJTMIESA-N 0 0 188.679 2.779 10 30 AFEERN C[C@@H](C=O)Cc1sccc1Cl 229948406 344621352 /nfs/dbraw/zinc/62/13/52/344621352.db2.gz SAKKBMMNXHWRKO-ZCFIWIBFSA-N 0 0 188.679 2.779 10 30 AFEERN C=C(C)COc1cc(C#N)ccc1C 229950967 344621594 /nfs/dbraw/zinc/62/15/94/344621594.db2.gz CSDXRFFTIUODHP-UHFFFAOYSA-N 0 0 187.242 2.822 10 30 AFEERN C#C[C@H](CC)Nc1nc(C)c(C)s1 229998039 344622857 /nfs/dbraw/zinc/62/28/57/344622857.db2.gz FYYZHDXHYIIVPK-SECBINFHSA-N 0 0 194.303 2.584 10 30 AFEERN C#C[C@@H](CC)Nc1nc(C)c(C)s1 229998035 344622991 /nfs/dbraw/zinc/62/29/91/344622991.db2.gz FYYZHDXHYIIVPK-VIFPVBQESA-N 0 0 194.303 2.584 10 30 AFEERN C#C[C@H](CC)Nc1ncccc1Cl 229998818 344623020 /nfs/dbraw/zinc/62/30/20/344623020.db2.gz HEIPKDWWMYMEGN-MRVPVSSYSA-N 0 0 194.665 2.559 10 30 AFEERN C#C[C@H](CC)Nc1ccc(Cl)cn1 229998992 344623058 /nfs/dbraw/zinc/62/30/58/344623058.db2.gz UNEJBFAAEVEWOW-SECBINFHSA-N 0 0 194.665 2.559 10 30 AFEERN C#C[C@H](C)Nc1cc(F)cc(Cl)c1 230001868 344623167 /nfs/dbraw/zinc/62/31/67/344623167.db2.gz QPDARSUXAQOEIW-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN N#CCCNc1cc(F)cc(Cl)c1 230004043 344623208 /nfs/dbraw/zinc/62/32/08/344623208.db2.gz VERBCHAMZRFXGF-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN C[C@H](C#N)Nc1cc(F)cc(Cl)c1 230001892 344623298 /nfs/dbraw/zinc/62/32/98/344623298.db2.gz PAIRCYUWNNKFQZ-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN C[C@@H](C#N)Nc1cc(F)cc(Cl)c1 230001887 344623476 /nfs/dbraw/zinc/62/34/76/344623476.db2.gz PAIRCYUWNNKFQZ-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C#C[C@H](CC)Nc1cccc(Cl)n1 230020532 344623978 /nfs/dbraw/zinc/62/39/78/344623978.db2.gz SGEPMYTVZHUFPX-MRVPVSSYSA-N 0 0 194.665 2.559 10 30 AFEERN C#C[C@@H](CC)Nc1cccc(Cl)n1 230020528 344623983 /nfs/dbraw/zinc/62/39/83/344623983.db2.gz SGEPMYTVZHUFPX-QMMMGPOBSA-N 0 0 194.665 2.559 10 30 AFEERN CCC(C)(C)c1ccc(N)c(C#N)c1 230031030 344624936 /nfs/dbraw/zinc/62/49/36/344624936.db2.gz RXWRMVNXLRCSIN-UHFFFAOYSA-N 0 0 188.274 2.828 10 30 AFEERN C=CC[C@H](C)Nc1ccnc(Cl)n1 230147662 344626885 /nfs/dbraw/zinc/62/68/85/344626885.db2.gz NQWVKLDJKIHENW-ZETCQYMHSA-N 0 0 197.669 2.507 10 30 AFEERN C=CC[C@@H](C)Nc1ccnc(Cl)n1 230147657 344627098 /nfs/dbraw/zinc/62/70/98/344627098.db2.gz NQWVKLDJKIHENW-SSDOTTSWSA-N 0 0 197.669 2.507 10 30 AFEERN CC#CCCC1=CC(=O)CCCC1 230162856 344627428 /nfs/dbraw/zinc/62/74/28/344627428.db2.gz KVNDBEQXPPEZQI-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN O=C1C=C(c2ccoc2)CCCC1 230164159 344627546 /nfs/dbraw/zinc/62/75/46/344627546.db2.gz DQZIPQMXUZCRHB-UHFFFAOYSA-N 0 0 176.215 2.806 10 30 AFEERN O=C1C=C(C2CCC2)CCCC1 230162715 344627556 /nfs/dbraw/zinc/62/75/56/344627556.db2.gz INMNRQMLBXZYGT-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN O=C1C=C(c2ccco2)CCCC1 230163049 344627775 /nfs/dbraw/zinc/62/77/75/344627775.db2.gz IKVXAAUZXOQXEO-UHFFFAOYSA-N 0 0 176.215 2.806 10 30 AFEERN CC[C@H](C#N)N1CC[C@@H](C(C)(C)C)C1 230258166 344629749 /nfs/dbraw/zinc/62/97/49/344629749.db2.gz XZRQNCRPIFAAOB-GHMZBOCLSA-N 0 0 194.322 2.657 10 30 AFEERN CC#CCCOc1cc(F)ccc1C 230402873 344635010 /nfs/dbraw/zinc/63/50/10/344635010.db2.gz AXTICJAREJPQSI-UHFFFAOYSA-N 0 0 192.233 2.926 10 30 AFEERN CC(=O)/C(C)=C/c1cncc(Cl)c1 230452692 344636736 /nfs/dbraw/zinc/63/67/36/344636736.db2.gz RFWXWJSITHFRBO-XVNBXDOJSA-N 0 0 195.649 2.727 10 30 AFEERN C#CC[C@]1(O)CCC[C@H](CC(C)C)C1 230784994 344643022 /nfs/dbraw/zinc/64/30/22/344643022.db2.gz FPGKIIYXEHITLB-OLZOCXBDSA-N 0 0 194.318 2.977 10 30 AFEERN C#CC[C@@]1(O)CCC[C@@H](CC(C)C)C1 230784987 344643065 /nfs/dbraw/zinc/64/30/65/344643065.db2.gz FPGKIIYXEHITLB-QWHCGFSZSA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)C[C@H]1CCC[C@]2(CO2)C1 230792137 344643075 /nfs/dbraw/zinc/64/30/75/344643075.db2.gz ITBZPNGGWGKPJW-GHMZBOCLSA-N 0 0 168.280 2.992 10 30 AFEERN CC(C)C[C@@H]1CCC[C@]2(CO2)C1 230792136 344643211 /nfs/dbraw/zinc/64/32/11/344643211.db2.gz ITBZPNGGWGKPJW-WDEREUQCSA-N 0 0 168.280 2.992 10 30 AFEERN C#CC[C@]1(O)CCC[C@@H](CC(C)C)C1 230784989 344643280 /nfs/dbraw/zinc/64/32/80/344643280.db2.gz FPGKIIYXEHITLB-STQMWFEESA-N 0 0 194.318 2.977 10 30 AFEERN C#CC[C@@]1(O)CCC[C@H](CC(C)C)C1 230784991 344643327 /nfs/dbraw/zinc/64/33/27/344643327.db2.gz FPGKIIYXEHITLB-CHWSQXEVSA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)C[C@H]1CCC[C@@]2(CO2)C1 230792134 344643344 /nfs/dbraw/zinc/64/33/44/344643344.db2.gz ITBZPNGGWGKPJW-MNOVXSKESA-N 0 0 168.280 2.992 10 30 AFEERN CC(C)C[C@@H]1CCC[C@@]2(CO2)C1 230792132 344643386 /nfs/dbraw/zinc/64/33/86/344643386.db2.gz ITBZPNGGWGKPJW-QWRGUYRKSA-N 0 0 168.280 2.992 10 30 AFEERN CC(C)[C@H]1CCC[C@@]2(CO2)C1 231017751 344647730 /nfs/dbraw/zinc/64/77/30/344647730.db2.gz FZWULOWGPPLAJN-UWVGGRQHSA-N 0 0 154.253 2.602 10 30 AFEERN CC(C)[C@H]1CCC[C@]2(CO2)C1 231017755 344647777 /nfs/dbraw/zinc/64/77/77/344647777.db2.gz FZWULOWGPPLAJN-VHSXEESVSA-N 0 0 154.253 2.602 10 30 AFEERN CC(C)[C@@H]1CCC[C@]2(CO2)C1 231017753 344647791 /nfs/dbraw/zinc/64/77/91/344647791.db2.gz FZWULOWGPPLAJN-NXEZZACHSA-N 0 0 154.253 2.602 10 30 AFEERN CC(C)[C@@H](C)S[C@@H](C)C#N 231193116 344649568 /nfs/dbraw/zinc/64/95/68/344649568.db2.gz GDMUVTFVRQJUCD-JGVFFNPUSA-N 0 0 157.282 2.676 10 30 AFEERN CC(C)[C@@H](C)S[C@H](C)C#N 231193138 344649543 /nfs/dbraw/zinc/64/95/43/344649543.db2.gz GDMUVTFVRQJUCD-HTQZYQBOSA-N 0 0 157.282 2.676 10 30 AFEERN CC(C)[C@@H](C)SCCC#N 231192452 344649549 /nfs/dbraw/zinc/64/95/49/344649549.db2.gz CDXHRTVOSACDDP-MRVPVSSYSA-N 0 0 157.282 2.678 10 30 AFEERN CC(C)[C@H](C)S[C@@H](C)C#N 231193127 344649558 /nfs/dbraw/zinc/64/95/58/344649558.db2.gz GDMUVTFVRQJUCD-YUMQZZPRSA-N 0 0 157.282 2.676 10 30 AFEERN CC(C)[C@H](C)SCCC#N 231192460 344649647 /nfs/dbraw/zinc/64/96/47/344649647.db2.gz CDXHRTVOSACDDP-QMMMGPOBSA-N 0 0 157.282 2.678 10 30 AFEERN [N-]=[N+]=Nc1cccnc1Br 231444526 344653427 /nfs/dbraw/zinc/65/34/27/344653427.db2.gz IUHCKTZHEDFNMX-UHFFFAOYSA-N 0 0 199.011 2.786 10 30 AFEERN N#CCCOc1cccc2cocc12 231528905 344654090 /nfs/dbraw/zinc/65/40/90/344654090.db2.gz ROQZLJMIBVYQAP-UHFFFAOYSA-N 0 0 187.198 2.725 10 30 AFEERN N#CCCOc1ccc2cocc2c1 231528877 344654303 /nfs/dbraw/zinc/65/43/03/344654303.db2.gz OQIWQODPSLGMGU-UHFFFAOYSA-N 0 0 187.198 2.725 10 30 AFEERN C=C(CS)CSCCC 231635802 344655512 /nfs/dbraw/zinc/65/55/12/344655512.db2.gz GHZHHQGIAJSREU-UHFFFAOYSA-N 0 0 162.323 2.616 10 30 AFEERN C=CC(=O)c1ccc(C)c(F)c1F 231726600 344658146 /nfs/dbraw/zinc/65/81/46/344658146.db2.gz VOIRQXNUVYWHSJ-UHFFFAOYSA-N 0 0 182.169 2.642 10 30 AFEERN CC(=O)/C(C)=C/c1ccc(F)cc1F 231746454 344658562 /nfs/dbraw/zinc/65/85/62/344658562.db2.gz RSRAVJJIHOZJIC-FNORWQNLSA-N 0 0 196.196 2.957 10 30 AFEERN CC(=O)/C(C)=C/c1sc(C)nc1C 231745839 344658613 /nfs/dbraw/zinc/65/86/13/344658613.db2.gz YURMUPVCQKXYKF-AATRIKPKSA-N 0 0 195.287 2.752 10 30 AFEERN CC(=O)/C(C)=C/C1CCCC1 231746369 344658640 /nfs/dbraw/zinc/65/86/40/344658640.db2.gz ICCSWBGHBRJJFO-BQYQJAHWSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)/C(C)=C/c1cccc(C#N)c1 231745913 344658647 /nfs/dbraw/zinc/65/86/47/344658647.db2.gz CLJQPAOBIQGLMF-RMKNXTFCSA-N 0 0 185.226 2.551 10 30 AFEERN CC(=O)/C(C)=C/c1ccc(Cl)o1 231746495 344658674 /nfs/dbraw/zinc/65/86/74/344658674.db2.gz QQUPWVIEAQAAAK-AATRIKPKSA-N 0 0 184.622 2.925 10 30 AFEERN CC(=O)/C(C)=C/c1occc1C 231746279 344658704 /nfs/dbraw/zinc/65/87/04/344658704.db2.gz UTIAAAMJQPXUBB-SOFGYWHQSA-N 0 0 164.204 2.580 10 30 AFEERN N#CCCNc1cc(F)ccc1Cl 231818418 344661495 /nfs/dbraw/zinc/66/14/95/344661495.db2.gz WMZHVDDKUWIRST-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN C#C[C@H](C)Nc1cc(F)ccc1Cl 231817602 344661500 /nfs/dbraw/zinc/66/15/00/344661500.db2.gz ZZLQTPFGILQFFV-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN C#C[C@@H](C)Nc1cc(F)ccc1Cl 231817600 344661597 /nfs/dbraw/zinc/66/15/97/344661597.db2.gz ZZLQTPFGILQFFV-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN C[C@@H](C#N)Nc1cc(F)ccc1Cl 231817449 344661645 /nfs/dbraw/zinc/66/16/45/344661645.db2.gz ROWJDFQBNMTEDW-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C=C(C)CC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 231970960 344667629 /nfs/dbraw/zinc/66/76/29/344667629.db2.gz DTLDFSRTOSAWAL-GMOBBJLQSA-N 0 0 196.290 2.581 10 30 AFEERN C/C(=C/Cl)Cn1cccc1C#N 232010704 344669678 /nfs/dbraw/zinc/66/96/78/344669678.db2.gz JQTUTDPVMQYLGL-YVMONPNESA-N 0 0 180.638 2.502 10 30 AFEERN CC(C)=CC(=O)CC1CCC1 232176816 344672966 /nfs/dbraw/zinc/67/29/66/344672966.db2.gz ZGNOVMXUIGHDFN-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C#C[C@H](C)Nc1ccccc1SC 232273625 344673366 /nfs/dbraw/zinc/67/33/66/344673366.db2.gz OAKZDXBLYKPEEG-VIFPVBQESA-N 0 0 191.299 2.842 10 30 AFEERN C#C[C@@H](C)Nc1ccccc1SC 232273623 344673389 /nfs/dbraw/zinc/67/33/89/344673389.db2.gz OAKZDXBLYKPEEG-SECBINFHSA-N 0 0 191.299 2.842 10 30 AFEERN Cc1ccc(Cl)c(NCC#N)c1 232243106 344673463 /nfs/dbraw/zinc/67/34/63/344673463.db2.gz GISXZEOLEKNCJD-UHFFFAOYSA-N 0 0 180.638 2.584 10 30 AFEERN Cc1ccc(Cl)c(N[C@H](C)C#N)c1 232243875 344673511 /nfs/dbraw/zinc/67/35/11/344673511.db2.gz YRMJXFRGRVEURJ-MRVPVSSYSA-N 0 0 194.665 2.972 10 30 AFEERN CC(C)[C@@H](C#N)c1cccc(N)c1 232275146 344673705 /nfs/dbraw/zinc/67/37/05/344673705.db2.gz UBDZJZGQLNZUIL-LLVKDONJSA-N 0 0 174.247 2.532 10 30 AFEERN CC[C@@H](C)[C@H](C#N)c1cccc(N)c1 232275053 344673716 /nfs/dbraw/zinc/67/37/16/344673716.db2.gz KGWYVLAYMBAGHW-SKDRFNHKSA-N 0 0 188.274 2.922 10 30 AFEERN CC[C@H](C)[C@H](C#N)c1cccc(N)c1 232275055 344673870 /nfs/dbraw/zinc/67/38/70/344673870.db2.gz KGWYVLAYMBAGHW-CABZTGNLSA-N 0 0 188.274 2.922 10 30 AFEERN C=CCc1ccc(C)c(F)c1O 232318491 344675242 /nfs/dbraw/zinc/67/52/42/344675242.db2.gz SLWMJLBGXGYRPS-UHFFFAOYSA-N 0 0 166.195 2.568 10 30 AFEERN C=C[C@@H](C)Oc1ccc(C#N)cc1F 232364050 344675968 /nfs/dbraw/zinc/67/59/68/344675968.db2.gz RYZIEJXJOYCOAW-MRVPVSSYSA-N 0 0 191.205 2.651 10 30 AFEERN C=C[C@H](C)Oc1ccc(C#N)cc1F 232364051 344676006 /nfs/dbraw/zinc/67/60/06/344676006.db2.gz RYZIEJXJOYCOAW-QMMMGPOBSA-N 0 0 191.205 2.651 10 30 AFEERN C=CC(=O)c1cccc2cnccc12 232451213 344676973 /nfs/dbraw/zinc/67/69/73/344676973.db2.gz HRCRGNQULLLNMQ-UHFFFAOYSA-N 0 0 183.210 2.604 10 30 AFEERN CC#CCC[C@@H](O)c1ccoc1Cl 232451786 344677421 /nfs/dbraw/zinc/67/74/21/344677421.db2.gz MHUAVKFKGJCZMC-SECBINFHSA-N 0 0 198.649 2.770 10 30 AFEERN C=C(C)C[C@H](O)c1ncccc1Cl 232462304 344677753 /nfs/dbraw/zinc/67/77/53/344677753.db2.gz MMEUNORBDBTKIX-VIFPVBQESA-N 0 0 197.665 2.735 10 30 AFEERN CC#CCC[C@H](O)c1ccoc1Cl 232461941 344677889 /nfs/dbraw/zinc/67/78/89/344677889.db2.gz MHUAVKFKGJCZMC-VIFPVBQESA-N 0 0 198.649 2.770 10 30 AFEERN C=C(C)CNc1cccc(C)c1N 232464097 344678034 /nfs/dbraw/zinc/67/80/34/344678034.db2.gz XOJUNWKHJIJQLT-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN C/C=C/C(=O)CC1CCCC1 232471163 344679316 /nfs/dbraw/zinc/67/93/16/344679316.db2.gz MRBIMLFZLMNCPP-GORDUTHDSA-N 0 0 152.237 2.712 10 30 AFEERN C/C=C/C(=O)C[C@H]1Cc2ccccc21 232471961 344679412 /nfs/dbraw/zinc/67/94/12/344679412.db2.gz RIQSBXFMZHXFME-XGQHYKRYSA-N 0 0 186.254 2.862 10 30 AFEERN CC=CC(=O)Cc1cc(F)ccc1F 232472303 344679422 /nfs/dbraw/zinc/67/94/22/344679422.db2.gz YGAMBVLZKVZVIC-NSCUHMNNSA-N 0 0 196.196 2.653 10 30 AFEERN C#Cc1cccc(NC/C=C/C)c1 232470878 344679429 /nfs/dbraw/zinc/67/94/29/344679429.db2.gz YQLUSRPTZGOZTH-HWKANZROSA-N 0 0 171.243 2.656 10 30 AFEERN C/C=C/C(=O)C[C@@H]1Cc2ccccc21 232471889 344679458 /nfs/dbraw/zinc/67/94/58/344679458.db2.gz RIQSBXFMZHXFME-DGXRNCNBSA-N 0 0 186.254 2.862 10 30 AFEERN C/C=C/CNc1ccc(F)cc1C#N 232470753 344679480 /nfs/dbraw/zinc/67/94/80/344679480.db2.gz FIRDBGLFYFOLNN-NSCUHMNNSA-N 0 0 190.221 2.685 10 30 AFEERN C/C=C/CNc1cc(C#N)ccc1C 232469905 344679502 /nfs/dbraw/zinc/67/95/02/344679502.db2.gz NHKMDXVOVYZTCA-ONEGZZNKSA-N 0 0 186.258 2.855 10 30 AFEERN CC=CC(=O)Cc1cccc(F)c1 232472890 344679515 /nfs/dbraw/zinc/67/95/15/344679515.db2.gz RDXVEZQBGAIOAU-DUXPYHPUSA-N 0 0 178.206 2.513 10 30 AFEERN CC(C)(C#N)CCCCn1ccnc1 232528299 344680780 /nfs/dbraw/zinc/68/07/80/344680780.db2.gz DPTHPKRBASSDCQ-UHFFFAOYSA-N 0 0 191.278 2.603 10 30 AFEERN C/C=C/C(=O)[C@H]1CCC[C@@H](C)C1 232559755 344682658 /nfs/dbraw/zinc/68/26/58/344682658.db2.gz NQQPRKQXKGVSIJ-AEJJFCSLSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)[C@H]1CCC[C@H](C)C1 232559824 344682683 /nfs/dbraw/zinc/68/26/83/344682683.db2.gz NQQPRKQXKGVSIJ-GMRPRLDHSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCC[C@H](C)C1 232559050 344682780 /nfs/dbraw/zinc/68/27/80/344682780.db2.gz NQQPRKQXKGVSIJ-AETUYUCGSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCC[C@@H](C)C1 232558975 344682791 /nfs/dbraw/zinc/68/27/91/344682791.db2.gz NQQPRKQXKGVSIJ-OTIHIVFHSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)c1ccc(F)cc1F 232561676 344682918 /nfs/dbraw/zinc/68/29/18/344682918.db2.gz CFSRYSGIBIDXCK-NSCUHMNNSA-N 0 0 182.169 2.724 10 30 AFEERN C/C=C/C(=O)c1c(F)cccc1F 232560929 344682922 /nfs/dbraw/zinc/68/29/22/344682922.db2.gz OJLDEXBTYMOINL-DUXPYHPUSA-N 0 0 182.169 2.724 10 30 AFEERN C/C=C/C(=O)c1ccsc1C 232562544 344682943 /nfs/dbraw/zinc/68/29/43/344682943.db2.gz FYRRDXCBKRVPFX-ONEGZZNKSA-N 0 0 166.245 2.815 10 30 AFEERN C/C=C/C(=O)c1cc(C)ccc1F 232561035 344682968 /nfs/dbraw/zinc/68/29/68/344682968.db2.gz PAGQKHFCHHHAAM-ONEGZZNKSA-N 0 0 178.206 2.893 10 30 AFEERN C/C=C/C(=O)c1cccc(F)c1F 232561913 344682981 /nfs/dbraw/zinc/68/29/81/344682981.db2.gz MYHSDEXEIZHVRD-DUXPYHPUSA-N 0 0 182.169 2.724 10 30 AFEERN C/C=C/C(=O)c1cc(F)ccc1F 232561277 344683002 /nfs/dbraw/zinc/68/30/02/344683002.db2.gz BFZPIXPMYNMBEY-NSCUHMNNSA-N 0 0 182.169 2.724 10 30 AFEERN CC(C)=CC(=O)c1ccnc(C)c1 232563178 344683025 /nfs/dbraw/zinc/68/30/25/344683025.db2.gz MJXOGWPJONOZET-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C/C=C/C(=O)c1csc(C)c1 232563149 344683034 /nfs/dbraw/zinc/68/30/34/344683034.db2.gz JFGONSQYBHKAJF-ONEGZZNKSA-N 0 0 166.245 2.815 10 30 AFEERN C=C(C)[C@@](C)(O)c1cccc(F)c1F 232562706 344683073 /nfs/dbraw/zinc/68/30/73/344683073.db2.gz CLXKBUMNPYGGNL-LLVKDONJSA-N 0 0 198.212 2.748 10 30 AFEERN C/C=C/C(=O)c1ccc(C)s1 232561468 344683085 /nfs/dbraw/zinc/68/30/85/344683085.db2.gz WRFIGPVSMUVMTN-ONEGZZNKSA-N 0 0 166.245 2.815 10 30 AFEERN CC(C)=CC(=O)c1sc(C)nc1C 232564005 344683226 /nfs/dbraw/zinc/68/32/26/344683226.db2.gz GAXZQYOYVRCMQM-UHFFFAOYSA-N 0 0 195.287 2.909 10 30 AFEERN CC(C)=CC(=O)c1ncccc1Cl 232563925 344683300 /nfs/dbraw/zinc/68/33/00/344683300.db2.gz FFMLSKUIRCCANA-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN CC(C)=CC(=O)c1cnc(C)s1 232563456 344683307 /nfs/dbraw/zinc/68/33/07/344683307.db2.gz GYFLEFABHVTIPQ-UHFFFAOYSA-N 0 0 181.260 2.600 10 30 AFEERN C=C(C)[C@](C)(O)c1cccc(F)c1F 232568961 344683629 /nfs/dbraw/zinc/68/36/29/344683629.db2.gz CLXKBUMNPYGGNL-NSHDSACASA-N 0 0 198.212 2.748 10 30 AFEERN C=C(C)C(=O)C[C@@H]1Cc2ccccc21 232573193 344683887 /nfs/dbraw/zinc/68/38/87/344683887.db2.gz AATPPPRVJNDXJX-NSHDSACASA-N 0 0 186.254 2.862 10 30 AFEERN C=C(C)C(=O)C[C@H]1Cc2ccccc21 232573343 344683997 /nfs/dbraw/zinc/68/39/97/344683997.db2.gz AATPPPRVJNDXJX-LLVKDONJSA-N 0 0 186.254 2.862 10 30 AFEERN C=C(C)CC(=O)[C@@H]1CC1(C)C 232583324 344684292 /nfs/dbraw/zinc/68/42/92/344684292.db2.gz LSTWNVULBABHLH-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)CC(=O)[C@H]1CC1(C)C 232583706 344684307 /nfs/dbraw/zinc/68/43/07/344684307.db2.gz LSTWNVULBABHLH-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)C(=O)C1=CC[C@@H](C)CC1 232583944 344684329 /nfs/dbraw/zinc/68/43/29/344684329.db2.gz SHVUNFNDJKYTGF-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)c1cccc2cnccc12 232580078 344684366 /nfs/dbraw/zinc/68/43/66/344684366.db2.gz DTCAGABCQCAVJO-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN C=C(C)C(=O)c1ccsc1C 232580386 344684381 /nfs/dbraw/zinc/68/43/81/344684381.db2.gz DNJKGOFCWJPJOU-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN C=C(C)C(=O)c1sc(C)nc1C 232581036 344684438 /nfs/dbraw/zinc/68/44/38/344684438.db2.gz NXQWSKDEZYJVGM-UHFFFAOYSA-N 0 0 181.260 2.519 10 30 AFEERN C=C(C)C(=O)c1ccc(Cl)o1 232579566 344684459 /nfs/dbraw/zinc/68/44/59/344684459.db2.gz NPYJXIFBKWPGJB-UHFFFAOYSA-N 0 0 170.595 2.692 10 30 AFEERN C=C(C)C(=O)c1ccoc1Cl 232580340 344684477 /nfs/dbraw/zinc/68/44/77/344684477.db2.gz KMZCZVXWVWLBOK-UHFFFAOYSA-N 0 0 170.595 2.692 10 30 AFEERN C=C(C)C(=O)c1ccc2cccnc2c1 232581519 344684498 /nfs/dbraw/zinc/68/44/98/344684498.db2.gz LLUSCCYCAOKETD-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN CC(C)C(=O)C1=CC[C@H](C)CC1 232583972 344684509 /nfs/dbraw/zinc/68/45/09/344684509.db2.gz SHVUNFNDJKYTGF-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCCCCn1ccnc1C#N 232592679 344684730 /nfs/dbraw/zinc/68/47/30/344684730.db2.gz ZAUKKEOHJHIXBF-UHFFFAOYSA-N 0 0 189.262 2.501 10 30 AFEERN Cc1ccc(NCC(C)C)c(C#N)c1 232602200 344685569 /nfs/dbraw/zinc/68/55/69/344685569.db2.gz GXGSZWDFWWNTKM-UHFFFAOYSA-N 0 0 188.274 2.935 10 30 AFEERN CC(=O)/C=C/c1cc(F)cc(F)c1 232629500 344686376 /nfs/dbraw/zinc/68/63/76/344686376.db2.gz XNOKYNMFEIQFOM-NSCUHMNNSA-N 0 0 182.169 2.567 10 30 AFEERN Cc1ccc(N(C)C(C)C)c(C#N)c1 232632742 344686628 /nfs/dbraw/zinc/68/66/28/344686628.db2.gz WFIVPQSMONWFOF-UHFFFAOYSA-N 0 0 188.274 2.711 10 30 AFEERN CC=C=CC(=O)C=C1CCCCC1 232652127 344686839 /nfs/dbraw/zinc/68/68/39/344686839.db2.gz GVCZKVSKCCBNOC-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN CC#CCC(=O)[C@@H](C)c1ccccc1 232652682 344686887 /nfs/dbraw/zinc/68/68/87/344686887.db2.gz QGHWTENZCGRHCI-NSHDSACASA-N 0 0 186.254 2.773 10 30 AFEERN CC=C=CC(=O)c1ccc(Cl)o1 232655002 344686965 /nfs/dbraw/zinc/68/69/65/344686965.db2.gz MUSWXABIJOGCFY-UHFFFAOYSA-N 0 0 182.606 2.529 10 30 AFEERN CC=C=CC(=O)C1=CCCCCC1 232651722 344686981 /nfs/dbraw/zinc/68/69/81/344686981.db2.gz VALVEDFIHJUBBR-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN CC=C=CC(=O)C1=CC[C@@H](C)CC1 232651772 344687039 /nfs/dbraw/zinc/68/70/39/344687039.db2.gz ZNNDFIBKNCUSOP-SNVBAGLBSA-N 0 0 176.259 2.715 10 30 AFEERN CC=C=CC(=O)c1ccoc1Cl 232655511 344687152 /nfs/dbraw/zinc/68/71/52/344687152.db2.gz QLIVXVRHXIZYFW-UHFFFAOYSA-N 0 0 182.606 2.529 10 30 AFEERN CC#CCC(=O)C1(C)CCCCC1 232651333 344687159 /nfs/dbraw/zinc/68/71/59/344687159.db2.gz UDQZYBORYIGNEO-UHFFFAOYSA-N 0 0 178.275 2.939 10 30 AFEERN CC#CCC(=O)[C@H](C)c1ccccc1 232653536 344687182 /nfs/dbraw/zinc/68/71/82/344687182.db2.gz QGHWTENZCGRHCI-LLVKDONJSA-N 0 0 186.254 2.773 10 30 AFEERN Cc1ccc(NC(C)C)c(C#N)c1 232671430 344687359 /nfs/dbraw/zinc/68/73/59/344687359.db2.gz QLFBWDWJKVDWED-UHFFFAOYSA-N 0 0 174.247 2.687 10 30 AFEERN Cc1cccc(NC(C)C)c1C#N 232672336 344687602 /nfs/dbraw/zinc/68/76/02/344687602.db2.gz ITLSRUDBHWFBAN-UHFFFAOYSA-N 0 0 174.247 2.687 10 30 AFEERN CC(C)N[C@@]1(C#N)CC(C)(C)C[C@H]1C 232681767 344687956 /nfs/dbraw/zinc/68/79/56/344687956.db2.gz LNUBCCJUNNLXHQ-ZYHUDNBSSA-N 0 0 194.322 2.703 10 30 AFEERN CC(C)N[C@@]1(C#N)CC(C)(C)C[C@@H]1C 232681734 344688116 /nfs/dbraw/zinc/68/81/16/344688116.db2.gz LNUBCCJUNNLXHQ-CMPLNLGQSA-N 0 0 194.322 2.703 10 30 AFEERN C=CC(=O)c1ccccc1OC(C)C 232690519 344688177 /nfs/dbraw/zinc/68/81/77/344688177.db2.gz HGOLUJLVUZRRER-UHFFFAOYSA-N 0 0 190.242 2.843 10 30 AFEERN CC/C=C/C(=O)C1CCCC1 232785208 344690497 /nfs/dbraw/zinc/69/04/97/344690497.db2.gz WMTWGMVAHPIBKD-FPYGCLRLSA-N 0 0 152.237 2.712 10 30 AFEERN C/C=C(\CC)C(=O)C1CCC1 232794151 344690771 /nfs/dbraw/zinc/69/07/71/344690771.db2.gz JTMAIUKPEUWEIT-FPYGCLRLSA-N 0 0 152.237 2.712 10 30 AFEERN C/C=C(\CC)C(=O)C(C)(C)C 232793481 344690789 /nfs/dbraw/zinc/69/07/89/344690789.db2.gz PVOKBBZSPDHJDQ-SOFGYWHQSA-N 0 0 154.253 2.958 10 30 AFEERN CC1(C)C[C@@H]1C(=O)C1=CCCC1 232791851 344690826 /nfs/dbraw/zinc/69/08/26/344690826.db2.gz KNWNZQPKVFXACE-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN C/C=C(\CC)C(=O)C1=CCCCO1 232793842 344690913 /nfs/dbraw/zinc/69/09/13/344690913.db2.gz PHCMBICCJOBJEP-YCRREMRBSA-N 0 0 180.247 2.606 10 30 AFEERN C#CCC(=O)C1(C)CCCCC1 232805272 344691810 /nfs/dbraw/zinc/69/18/10/344691810.db2.gz CDRJBULYLIRCCZ-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN CC/C=C/C(=O)c1cncc(C)c1 232802711 344691879 /nfs/dbraw/zinc/69/18/79/344691879.db2.gz BOMQWILASYPETE-SNAWJCMRSA-N 0 0 175.231 2.539 10 30 AFEERN CC1(CNc2ccccc2C#N)CC1 232807334 344691891 /nfs/dbraw/zinc/69/18/91/344691891.db2.gz PVNQOTVHHUJDNL-UHFFFAOYSA-N 0 0 186.258 2.770 10 30 AFEERN CC/C=C/C(=O)c1ccsc1 232802535 344691983 /nfs/dbraw/zinc/69/19/83/344691983.db2.gz ZHWSPJMLYLCFAI-ONEGZZNKSA-N 0 0 166.245 2.897 10 30 AFEERN CC1(C(=O)C2=CCCCC2)CC1 232809295 344692361 /nfs/dbraw/zinc/69/23/61/344692361.db2.gz XWGBWVIZPWWHLD-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CC1CC(C#N)(Nc2ccccc2)C1 232855149 344694771 /nfs/dbraw/zinc/69/47/71/344694771.db2.gz MPWRYOIJJFNHRT-UHFFFAOYSA-N 0 0 186.258 2.791 10 30 AFEERN CCC(=O)c1c[nH]c2cc(C#N)ccc12 232856623 344694868 /nfs/dbraw/zinc/69/48/68/344694868.db2.gz IWBZRCPHMCOOFL-UHFFFAOYSA-N 0 0 198.225 2.632 10 30 AFEERN CC1(C)C[C@H]1C(=O)C1=CCCC1 232898146 344696704 /nfs/dbraw/zinc/69/67/04/344696704.db2.gz KNWNZQPKVFXACE-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN CCCN(C)c1ccc(C)cc1C#N 233008465 344698848 /nfs/dbraw/zinc/69/88/48/344698848.db2.gz DGTXQDNRLLJJHO-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN CCCNc1ccc(C#N)c(F)c1F 233196917 344699717 /nfs/dbraw/zinc/69/97/17/344699717.db2.gz IDNQIWUYQBWQIP-UHFFFAOYSA-N 0 0 196.200 2.658 10 30 AFEERN CCC[C@@H](C)N1CCCC[C@@H]1C#N 233276340 344699721 /nfs/dbraw/zinc/69/97/21/344699721.db2.gz MXXKFWPVEJQKJL-GHMZBOCLSA-N 0 0 180.295 2.553 10 30 AFEERN CCCNc1ccc(C)cc1C#N 233197578 344699737 /nfs/dbraw/zinc/69/97/37/344699737.db2.gz YJHFLPXBZVCUGF-UHFFFAOYSA-N 0 0 174.247 2.689 10 30 AFEERN CCCN[C@@]1(C#N)CC(C)(C)C[C@@H]1C 233149641 344699748 /nfs/dbraw/zinc/69/97/48/344699748.db2.gz RCGUOUIJXDUPMW-CMPLNLGQSA-N 0 0 194.322 2.704 10 30 AFEERN CCCN[C@@]1(C#N)CC(C)(C)C[C@H]1C 233149642 344699832 /nfs/dbraw/zinc/69/98/32/344699832.db2.gz RCGUOUIJXDUPMW-ZYHUDNBSSA-N 0 0 194.322 2.704 10 30 AFEERN CCCN[C@]1(C#N)CC(C)(C)C[C@H]1C 233193863 344699871 /nfs/dbraw/zinc/69/98/71/344699871.db2.gz RCGUOUIJXDUPMW-PWSUYJOCSA-N 0 0 194.322 2.704 10 30 AFEERN CCCNc1cccc(C)c1C#N 233195192 344699898 /nfs/dbraw/zinc/69/98/98/344699898.db2.gz MMIMKKLLRUQHLR-UHFFFAOYSA-N 0 0 174.247 2.689 10 30 AFEERN CCC[C@H](C)N1CCCC[C@@H]1C#N 233334725 344700604 /nfs/dbraw/zinc/70/06/04/344700604.db2.gz MXXKFWPVEJQKJL-WDEREUQCSA-N 0 0 180.295 2.553 10 30 AFEERN CCC[C@](Br)(C#N)CC 233311951 344700638 /nfs/dbraw/zinc/70/06/38/344700638.db2.gz NPPBMTIQOKJLFC-ZETCQYMHSA-N 0 0 190.084 2.854 10 30 AFEERN C=C(C)[C@](O)(CC)CCC 233315985 344700820 /nfs/dbraw/zinc/70/08/20/344700820.db2.gz UQFBYGIFHTWQTG-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN C=C(C)[C@@](O)(CC)CCC 233362852 344701286 /nfs/dbraw/zinc/70/12/86/344701286.db2.gz UQFBYGIFHTWQTG-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN CCC[C@@](Br)(C#N)CC 233414385 344701691 /nfs/dbraw/zinc/70/16/91/344701691.db2.gz NPPBMTIQOKJLFC-SSDOTTSWSA-N 0 0 190.084 2.854 10 30 AFEERN CCN(CC)c1ccc(C)cc1C#N 233450773 344702062 /nfs/dbraw/zinc/70/20/62/344702062.db2.gz HQOUXTQPRNFYOZ-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN CCO[C@]1(C#N)CC(C)(C)C[C@@H]1C 233784517 344704326 /nfs/dbraw/zinc/70/43/26/344704326.db2.gz ALHUYTQCRNTOCL-ONGXEEELSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@@]1(C#N)CC(C)(C)C[C@@H]1C 233755939 344704347 /nfs/dbraw/zinc/70/43/47/344704347.db2.gz ALHUYTQCRNTOCL-GXSJLCMTSA-N 0 0 181.279 2.741 10 30 AFEERN CC[C@@H]1C[C@H]1Nc1cccc(C#N)c1 233915193 344706569 /nfs/dbraw/zinc/70/65/69/344706569.db2.gz UHTMFFRGGLOARH-ZYHUDNBSSA-N 0 0 186.258 2.769 10 30 AFEERN CC[C@@H]1C[C@@H]1Nc1cccc(C#N)c1 233918996 344706696 /nfs/dbraw/zinc/70/66/96/344706696.db2.gz UHTMFFRGGLOARH-PWSUYJOCSA-N 0 0 186.258 2.769 10 30 AFEERN CC[C@@](C)(O)C(=O)C1=CCCCCC1 233957522 344708771 /nfs/dbraw/zinc/70/87/71/344708771.db2.gz MPVWZFUJLHNKLW-GFCCVEGCSA-N 0 0 196.290 2.607 10 30 AFEERN C/C=C(/CC)C(=O)C=C(C)C 234109318 344712591 /nfs/dbraw/zinc/71/25/91/344712591.db2.gz JQCGPZCKWOYTJF-UITAMQMPSA-N 0 0 152.237 2.878 10 30 AFEERN C=CC(=O)c1cccc(CC)c1 234131690 344712966 /nfs/dbraw/zinc/71/29/66/344712966.db2.gz PHRKSLWWAIWICC-UHFFFAOYSA-N 0 0 160.216 2.618 10 30 AFEERN CC[C@](C)(O)C(=O)C1=CCCCCC1 234125397 344713160 /nfs/dbraw/zinc/71/31/60/344713160.db2.gz MPVWZFUJLHNKLW-LBPRGKRZSA-N 0 0 196.290 2.607 10 30 AFEERN CC[C@H]1C[C@H]1Nc1cccc(C#N)c1 234133198 344713443 /nfs/dbraw/zinc/71/34/43/344713443.db2.gz UHTMFFRGGLOARH-CMPLNLGQSA-N 0 0 186.258 2.769 10 30 AFEERN CC[C@H]1C[C@@H]1Nc1cccc(C#N)c1 234141718 344713840 /nfs/dbraw/zinc/71/38/40/344713840.db2.gz UHTMFFRGGLOARH-JQWIXIFHSA-N 0 0 186.258 2.769 10 30 AFEERN CO[C@@H](C#N)c1ccc(F)cc1Cl 234722375 344725695 /nfs/dbraw/zinc/72/56/95/344725695.db2.gz LEIYYBJBVOODJJ-VIFPVBQESA-N 0 0 199.612 2.690 10 30 AFEERN CO[C@H](C#N)c1ccc(F)cc1Cl 234767469 344727144 /nfs/dbraw/zinc/72/71/44/344727144.db2.gz LEIYYBJBVOODJJ-SECBINFHSA-N 0 0 199.612 2.690 10 30 AFEERN C=CC(=O)c1ccc(C)c(C)c1OC 234796400 344728059 /nfs/dbraw/zinc/72/80/59/344728059.db2.gz CWZVUXYLAMQSND-UHFFFAOYSA-N 0 0 190.242 2.681 10 30 AFEERN C=C[C@H](C)Nc1ccc(F)c(OC)c1 234828119 344728924 /nfs/dbraw/zinc/72/89/24/344728924.db2.gz LJXKXAIPWOJNQH-QMMMGPOBSA-N 0 0 195.237 2.821 10 30 AFEERN C=C[C@@H](C)Nc1ccc(F)c(OC)c1 234833950 344729224 /nfs/dbraw/zinc/72/92/24/344729224.db2.gz LJXKXAIPWOJNQH-MRVPVSSYSA-N 0 0 195.237 2.821 10 30 AFEERN C=C[C@@H](C)Nc1cc(C)ccc1OC 234829112 344729265 /nfs/dbraw/zinc/72/92/65/344729265.db2.gz LQCQLESZZKHDTG-SNVBAGLBSA-N 0 0 191.274 2.990 10 30 AFEERN C/C=C/C(=O)c1cc(C)ccc1OC 234840409 344729429 /nfs/dbraw/zinc/72/94/29/344729429.db2.gz VYIGBCZLPJYLDZ-SNAWJCMRSA-N 0 0 190.242 2.762 10 30 AFEERN C=C[C@H](C)Nc1ccc(OC)cc1C 234872509 344729864 /nfs/dbraw/zinc/72/98/64/344729864.db2.gz GCIQSENQBCBKIU-JTQLQIEISA-N 0 0 191.274 2.990 10 30 AFEERN C=C[C@H](C)Nc1cc(C)ccc1OC 234867768 344729923 /nfs/dbraw/zinc/72/99/23/344729923.db2.gz LQCQLESZZKHDTG-JTQLQIEISA-N 0 0 191.274 2.990 10 30 AFEERN C=C(C)C(=O)c1cccc(OC)c1F 234872404 344729979 /nfs/dbraw/zinc/72/99/79/344729979.db2.gz UQMKUZZNWSNFQP-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=C[C@@H](C)Nc1cc(OC)ccc1F 234863459 344729993 /nfs/dbraw/zinc/72/99/93/344729993.db2.gz XSYBKYBUXWICCX-MRVPVSSYSA-N 0 0 195.237 2.821 10 30 AFEERN C=C(C)C(=O)c1ccc(OC)cc1C 234879081 344730119 /nfs/dbraw/zinc/73/01/19/344730119.db2.gz JLZNHDSGSLQTPY-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=C[C@@H](C)Nc1cccc(OC)c1 234887920 344730251 /nfs/dbraw/zinc/73/02/51/344730251.db2.gz KMCWOJOXHKTKOA-SECBINFHSA-N 0 0 177.247 2.682 10 30 AFEERN C=C[C@@H](C)Nc1ccc(OC)cc1C 234877806 344730324 /nfs/dbraw/zinc/73/03/24/344730324.db2.gz GCIQSENQBCBKIU-SNVBAGLBSA-N 0 0 191.274 2.990 10 30 AFEERN C/C=C/C(=O)c1cccc(OC)c1F 234881291 344730335 /nfs/dbraw/zinc/73/03/35/344730335.db2.gz PADSNZLZQGLVRF-HWKANZROSA-N 0 0 194.205 2.593 10 30 AFEERN C=C[C@H](C)Nc1cccc(OC)c1 234886757 344730364 /nfs/dbraw/zinc/73/03/64/344730364.db2.gz KMCWOJOXHKTKOA-VIFPVBQESA-N 0 0 177.247 2.682 10 30 AFEERN C[C@@H](C#N)C(=O)C1(C)CCCCC1 235067061 344732425 /nfs/dbraw/zinc/73/24/25/344732425.db2.gz IJPQQBLIHNTLLG-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C=CC[C@H](C)Nc1cccc(C)c1N 235078327 344732457 /nfs/dbraw/zinc/73/24/57/344732457.db2.gz VSVVWPWPKWMNJQ-JTQLQIEISA-N 0 0 190.290 2.954 10 30 AFEERN Cc1cccc(C)c1C(=O)[C@@H](C)C#N 235071505 344732536 /nfs/dbraw/zinc/73/25/36/344732536.db2.gz HKGPFQRVKITWQT-JTQLQIEISA-N 0 0 187.242 2.646 10 30 AFEERN C=C[C@@H](C)Nc1cccc(F)c1 235214682 344736056 /nfs/dbraw/zinc/73/60/56/344736056.db2.gz XHPUFEXUSPBCIG-MRVPVSSYSA-N 0 0 165.211 2.812 10 30 AFEERN C=C[C@@H](C)Nc1ccc(CC#N)cc1 235212044 344736075 /nfs/dbraw/zinc/73/60/75/344736075.db2.gz ZGNUGNPICRGPHD-SNVBAGLBSA-N 0 0 186.258 2.739 10 30 AFEERN C=C[C@@H](C)Nc1cccc(F)c1F 235216707 344736261 /nfs/dbraw/zinc/73/62/61/344736261.db2.gz ZKWSEOLQEJDBQE-SSDOTTSWSA-N 0 0 183.201 2.951 10 30 AFEERN C=C[C@@H](C)Nc1ccsc1 235226633 344736549 /nfs/dbraw/zinc/73/65/49/344736549.db2.gz NPXVVLWZDXQGPC-SSDOTTSWSA-N 0 0 153.250 2.735 10 30 AFEERN C=C[C@@H](C)Nc1cc(C#N)ccc1C 235230350 344736574 /nfs/dbraw/zinc/73/65/74/344736574.db2.gz LSEOHISWGZJLKM-SNVBAGLBSA-N 0 0 186.258 2.853 10 30 AFEERN C#C[C@@H](C)Nc1cc(F)c(C)cc1F 235226305 344736584 /nfs/dbraw/zinc/73/65/84/344736584.db2.gz UAVDRALRKCVDIV-MRVPVSSYSA-N 0 0 195.212 2.707 10 30 AFEERN C=C[C@@H](C)Nc1ccc(F)c(F)c1 235238675 344737023 /nfs/dbraw/zinc/73/70/23/344737023.db2.gz VDJMVYQMFTYEPP-SSDOTTSWSA-N 0 0 183.201 2.951 10 30 AFEERN C#Cc1cccc(N[C@H](C)C=C)c1 235239591 344737080 /nfs/dbraw/zinc/73/70/80/344737080.db2.gz PTIHPEGBXJIAHI-SNVBAGLBSA-N 0 0 171.243 2.654 10 30 AFEERN C=C[C@@H](C)Nc1cc(F)cc(F)c1 235234177 344737145 /nfs/dbraw/zinc/73/71/45/344737145.db2.gz DDBCBRLBLRLRRD-SSDOTTSWSA-N 0 0 183.201 2.951 10 30 AFEERN C=C[C@@H](C)Nc1ccccc1F 235240480 344737160 /nfs/dbraw/zinc/73/71/60/344737160.db2.gz KVQSVGJYLJZATM-MRVPVSSYSA-N 0 0 165.211 2.812 10 30 AFEERN C=C[C@@H](C)Nc1cc(F)ccc1F 235239597 344737195 /nfs/dbraw/zinc/73/71/95/344737195.db2.gz HJXZNVTYPCXCDK-SSDOTTSWSA-N 0 0 183.201 2.951 10 30 AFEERN C=C[C@@H](C)Nc1ccc(F)cc1F 235245013 344737467 /nfs/dbraw/zinc/73/74/67/344737467.db2.gz KFKNXPPMYOQVQU-SSDOTTSWSA-N 0 0 183.201 2.951 10 30 AFEERN C=C[C@@H](C)Nc1cccc(C)c1 235245933 344737505 /nfs/dbraw/zinc/73/75/05/344737505.db2.gz SYPUDWUKOCGOLD-SNVBAGLBSA-N 0 0 161.248 2.981 10 30 AFEERN C=C[C@@H](C)Nc1cccc(C)c1N 235258372 344738029 /nfs/dbraw/zinc/73/80/29/344738029.db2.gz BOGUVLJJVYDCNJ-SECBINFHSA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@@H](C)Nc1c(F)cccc1F 235259959 344738399 /nfs/dbraw/zinc/73/83/99/344738399.db2.gz PNBFVBOHJURKBC-SSDOTTSWSA-N 0 0 183.201 2.951 10 30 AFEERN C=CC(=O)C1C[C@@H](C)C[C@H](C)C1 235265709 344738917 /nfs/dbraw/zinc/73/89/17/344738917.db2.gz DGRBFJBRGZRAQL-IUCAKERBSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@@]1(Cl)C#N 235265519 344739151 /nfs/dbraw/zinc/73/91/51/344739151.db2.gz FDBJDEGDSDGRRP-VXNVDRBHSA-N 0 0 171.671 2.944 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@@]1(O)C(C)(C)C#N 235271329 344739349 /nfs/dbraw/zinc/73/93/49/344739349.db2.gz HQJUDOGWMKGKGM-SKDRFNHKSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@@H]1C#N 235278956 344739979 /nfs/dbraw/zinc/73/99/79/344739979.db2.gz VUZGSDLPEPMVQL-HTQZYQBOSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H]1CC=C(C(=O)C2CC2)CC1 235286836 344740721 /nfs/dbraw/zinc/74/07/21/344740721.db2.gz OJUTXMIOUORJAG-QMMMGPOBSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@H]1C#N 235291245 344741410 /nfs/dbraw/zinc/74/14/10/344741410.db2.gz VUZGSDLPEPMVQL-SFYZADRCSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@]1(O)C(C)(C)C#N 235341222 344744334 /nfs/dbraw/zinc/74/43/34/344744334.db2.gz HQJUDOGWMKGKGM-BXKDBHETSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@]1(Cl)C#N 235336922 344744364 /nfs/dbraw/zinc/74/43/64/344744364.db2.gz FDBJDEGDSDGRRP-APPZFPTMSA-N 0 0 171.671 2.944 10 30 AFEERN C#CCC[C@@]1(O)CC(C)(C)C[C@H]1C 235342397 344744489 /nfs/dbraw/zinc/74/44/89/344744489.db2.gz MMXZQVMVHJKBIL-ZYHUDNBSSA-N 0 0 180.291 2.587 10 30 AFEERN CC(=O)/C=C1\CC(C)(C)C[C@H]1C 235354174 344745853 /nfs/dbraw/zinc/74/58/53/344745853.db2.gz SNUNLLZXXXFJBS-LLIKBPFYSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)C1=CC[C@H](C)CC1 235376997 344746894 /nfs/dbraw/zinc/74/68/94/344746894.db2.gz VLUNNRWPWAQMNO-VIFPVBQESA-N 0 0 164.248 2.878 10 30 AFEERN C[C@H](C#N)C(=O)C1(C)CCCCC1 235417010 344749032 /nfs/dbraw/zinc/74/90/32/344749032.db2.gz IJPQQBLIHNTLLG-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN Cc1cccc(C)c1C(=O)[C@H](C)C#N 235420568 344749037 /nfs/dbraw/zinc/74/90/37/344749037.db2.gz HKGPFQRVKITWQT-SNVBAGLBSA-N 0 0 187.242 2.646 10 30 AFEERN C=CC[C@@H](C)Nc1cccc(C)c1N 235428966 344749462 /nfs/dbraw/zinc/74/94/62/344749462.db2.gz VSVVWPWPKWMNJQ-SNVBAGLBSA-N 0 0 190.290 2.954 10 30 AFEERN C=CC[C@@](C)(O)c1cccc(F)c1F 235423700 344749504 /nfs/dbraw/zinc/74/95/04/344749504.db2.gz GXYULIBHVDZKRQ-LLVKDONJSA-N 0 0 198.212 2.748 10 30 AFEERN C=C[C@H](C)Nc1ccc(F)c(F)c1 235526989 344752509 /nfs/dbraw/zinc/75/25/09/344752509.db2.gz VDJMVYQMFTYEPP-ZETCQYMHSA-N 0 0 183.201 2.951 10 30 AFEERN C#Cc1cccc(N[C@@H](C)C=C)c1 235530328 344752512 /nfs/dbraw/zinc/75/25/12/344752512.db2.gz PTIHPEGBXJIAHI-JTQLQIEISA-N 0 0 171.243 2.654 10 30 AFEERN C=C[C@H](C)Nc1ccc(F)cc1 235529222 344752669 /nfs/dbraw/zinc/75/26/69/344752669.db2.gz RIKCVGJTXRFASR-QMMMGPOBSA-N 0 0 165.211 2.812 10 30 AFEERN C=C[C@H](C)Nc1cc(F)ccc1F 235524607 344752710 /nfs/dbraw/zinc/75/27/10/344752710.db2.gz HJXZNVTYPCXCDK-ZETCQYMHSA-N 0 0 183.201 2.951 10 30 AFEERN C=C[C@H](C)Nc1ccc(F)cc1F 235532682 344752964 /nfs/dbraw/zinc/75/29/64/344752964.db2.gz KFKNXPPMYOQVQU-ZETCQYMHSA-N 0 0 183.201 2.951 10 30 AFEERN C=C[C@H](C)Nc1cccc(C)c1 235535719 344753186 /nfs/dbraw/zinc/75/31/86/344753186.db2.gz SYPUDWUKOCGOLD-JTQLQIEISA-N 0 0 161.248 2.981 10 30 AFEERN C=C[C@H](C)Nc1ccccc1F 235534237 344753227 /nfs/dbraw/zinc/75/32/27/344753227.db2.gz KVQSVGJYLJZATM-QMMMGPOBSA-N 0 0 165.211 2.812 10 30 AFEERN C=C[C@H](C)Nc1c(F)cccc1F 235542493 344753422 /nfs/dbraw/zinc/75/34/22/344753422.db2.gz PNBFVBOHJURKBC-ZETCQYMHSA-N 0 0 183.201 2.951 10 30 AFEERN C=C[C@H](C)Nc1cccc(C)c1N 235540468 344753449 /nfs/dbraw/zinc/75/34/49/344753449.db2.gz BOGUVLJJVYDCNJ-VIFPVBQESA-N 0 0 176.263 2.564 10 30 AFEERN C=C[C@H](C)Nc1ccc(CC#N)cc1 235548619 344753809 /nfs/dbraw/zinc/75/38/09/344753809.db2.gz ZGNUGNPICRGPHD-JTQLQIEISA-N 0 0 186.258 2.739 10 30 AFEERN C=C[C@H](C)Nc1cccc(F)c1 235550726 344753855 /nfs/dbraw/zinc/75/38/55/344753855.db2.gz XHPUFEXUSPBCIG-QMMMGPOBSA-N 0 0 165.211 2.812 10 30 AFEERN C=C(C)C(=O)C1=CC[C@@H](C)CC1 235547086 344754072 /nfs/dbraw/zinc/75/40/72/344754072.db2.gz VLUNNRWPWAQMNO-SECBINFHSA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@H](C)Nc1cccc(F)c1F 235553646 344754300 /nfs/dbraw/zinc/75/43/00/344754300.db2.gz ZKWSEOLQEJDBQE-ZETCQYMHSA-N 0 0 183.201 2.951 10 30 AFEERN C[C@H]1CC(C)(C)C[C@@]1(Cl)C#N 235559354 344754921 /nfs/dbraw/zinc/75/49/21/344754921.db2.gz FDBJDEGDSDGRRP-IONNQARKSA-N 0 0 171.671 2.944 10 30 AFEERN C[C@H]1CC(C)(C)C[C@@]1(O)C(C)(C)C#N 235561807 344755266 /nfs/dbraw/zinc/75/52/66/344755266.db2.gz HQJUDOGWMKGKGM-CABZTGNLSA-N 0 0 195.306 2.723 10 30 AFEERN C=CC(=O)C1C[C@H](C)C[C@@H](C)C1 235562707 344755334 /nfs/dbraw/zinc/75/53/34/344755334.db2.gz DGRBFJBRGZRAQL-RKDXNWHRSA-N 0 0 166.264 2.814 10 30 AFEERN C#CCC[C@]1(O)CC(C)(C)C[C@@H]1C 235562680 344755420 /nfs/dbraw/zinc/75/54/20/344755420.db2.gz MMXZQVMVHJKBIL-JQWIXIFHSA-N 0 0 180.291 2.587 10 30 AFEERN C=CC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 235568700 344755819 /nfs/dbraw/zinc/75/58/19/344755819.db2.gz ZEQQIYSZUFJRNW-LPEHRKFASA-N 0 0 166.264 2.814 10 30 AFEERN C[C@H]1CC(C)(C)C[C@H]1C#N 235570448 344756323 /nfs/dbraw/zinc/75/63/23/344756323.db2.gz VUZGSDLPEPMVQL-YUMQZZPRSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H]1CC(C)(C)C[C@@H]1C#N 235582435 344757616 /nfs/dbraw/zinc/75/76/16/344757616.db2.gz VUZGSDLPEPMVQL-JGVFFNPUSA-N 0 0 137.226 2.582 10 30 AFEERN C#CCC[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1 235602156 344758903 /nfs/dbraw/zinc/75/89/03/344758903.db2.gz INCXPOROELZDRW-RTXFEEFZSA-N 0 0 192.302 2.753 10 30 AFEERN C[C@H]1CC(C)(C)C[C@]1(O)C(C)(C)C#N 235608318 344759232 /nfs/dbraw/zinc/75/92/32/344759232.db2.gz HQJUDOGWMKGKGM-JOYOIKCWSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]1CC=C(C(=O)C2CC2)CC1 235613579 344759718 /nfs/dbraw/zinc/75/97/18/344759718.db2.gz OJUTXMIOUORJAG-MRVPVSSYSA-N 0 0 164.248 2.712 10 30 AFEERN C#CCC[C@@]1(O)CC(C)(C)C[C@@H]1C 235609724 344759829 /nfs/dbraw/zinc/75/98/29/344759829.db2.gz MMXZQVMVHJKBIL-CMPLNLGQSA-N 0 0 180.291 2.587 10 30 AFEERN CC(=O)/C=C1\CC(C)(C)C[C@@H]1C 235627126 344760104 /nfs/dbraw/zinc/76/01/04/344760104.db2.gz SNUNLLZXXXFJBS-SMSHQHMSSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@](C)(O)c1cccc(F)c1F 235721189 344764322 /nfs/dbraw/zinc/76/43/22/344764322.db2.gz GXYULIBHVDZKRQ-NSHDSACASA-N 0 0 198.212 2.748 10 30 AFEERN C=CC(=O)c1cc(C)sc1C 235739495 344764712 /nfs/dbraw/zinc/76/47/12/344764712.db2.gz RSWALPKASLHKOR-UHFFFAOYSA-N 0 0 166.245 2.734 10 30 AFEERN C=CC(=O)c1c(C)cc(F)cc1C 235738940 344764804 /nfs/dbraw/zinc/76/48/04/344764804.db2.gz AMSWHXHPYCFQGH-UHFFFAOYSA-N 0 0 178.206 2.811 10 30 AFEERN C=CC(=O)c1c(C)cc(C)cc1F 235743778 344765325 /nfs/dbraw/zinc/76/53/25/344765325.db2.gz JKOGXVQCMCMQLQ-UHFFFAOYSA-N 0 0 178.206 2.811 10 30 AFEERN C=CC(=O)c1sc(C)cc1C 235743816 344765378 /nfs/dbraw/zinc/76/53/78/344765378.db2.gz PDJABLSMHMFENT-UHFFFAOYSA-N 0 0 166.245 2.734 10 30 AFEERN C#CCC(=O)c1c(C)cccc1C 235763633 344765572 /nfs/dbraw/zinc/76/55/72/344765572.db2.gz ZIRWARZGVANOIH-UHFFFAOYSA-N 0 0 172.227 2.509 10 30 AFEERN Cc1ccc([C@H](O)CC#N)cc1Cl 235757158 344765740 /nfs/dbraw/zinc/76/57/40/344765740.db2.gz LZYMATLYXZLKSS-SNVBAGLBSA-N 0 0 195.649 2.596 10 30 AFEERN C=C(Cl)CNc1cccc(C)c1N 235782233 344766265 /nfs/dbraw/zinc/76/62/65/344766265.db2.gz AMMHEDPXYJJJQO-UHFFFAOYSA-N 0 0 196.681 2.742 10 30 AFEERN Cc1cccc(NCC(F)F)c1C#N 235782446 344766281 /nfs/dbraw/zinc/76/62/81/344766281.db2.gz QNBDTTAWRSRRMH-UHFFFAOYSA-N 0 0 196.200 2.544 10 30 AFEERN C#CCC(=O)c1ccc(C)cc1Cl 235783504 344766354 /nfs/dbraw/zinc/76/63/54/344766354.db2.gz IKVPIWZOIBLDKD-UHFFFAOYSA-N 0 0 192.645 2.854 10 30 AFEERN Cc1ccc(C(=O)CC#N)c(Cl)c1 235784052 344766419 /nfs/dbraw/zinc/76/64/19/344766419.db2.gz ZFEKINGVYLQJCT-UHFFFAOYSA-N 0 0 193.633 2.745 10 30 AFEERN C=CC(=O)Cc1ccc(C)cc1Cl 235794250 344766597 /nfs/dbraw/zinc/76/65/97/344766597.db2.gz ZAZNXPXDSMLAHO-UHFFFAOYSA-N 0 0 194.661 2.946 10 30 AFEERN C#CCC(=O)c1ccc(Cl)cc1C 235796763 344767111 /nfs/dbraw/zinc/76/71/11/344767111.db2.gz FSHUYBSUQFOLQT-UHFFFAOYSA-N 0 0 192.645 2.854 10 30 AFEERN Cc1ccc([C@@H](O)CC#N)cc1Cl 235804878 344767270 /nfs/dbraw/zinc/76/72/70/344767270.db2.gz LZYMATLYXZLKSS-JTQLQIEISA-N 0 0 195.649 2.596 10 30 AFEERN Cc1occc1SC1=CC(=O)CC1 235810279 344767486 /nfs/dbraw/zinc/76/74/86/344767486.db2.gz WJXYLPZTZYYPCN-UHFFFAOYSA-N 0 0 194.255 2.927 10 30 AFEERN Cc1occc1SCCC#N 235812759 344767761 /nfs/dbraw/zinc/76/77/61/344767761.db2.gz AUDUGLQDRRSOAC-UHFFFAOYSA-N 0 0 167.233 2.594 10 30 AFEERN Cc1occc1SCCS 235819904 344768054 /nfs/dbraw/zinc/76/80/54/344768054.db2.gz MPFRPYPHRVEIKR-UHFFFAOYSA-N 0 0 174.290 2.610 10 30 AFEERN C#CC(=O)c1scc(C)c1Cl 235825589 344768066 /nfs/dbraw/zinc/76/80/66/344768066.db2.gz SYPUYLQNQNQLNU-UHFFFAOYSA-N 0 0 184.647 2.526 10 30 AFEERN Cc1csc(C(=O)CC#N)c1Cl 235825816 344768121 /nfs/dbraw/zinc/76/81/21/344768121.db2.gz ZMTISNDJMJWGDD-UHFFFAOYSA-N 0 0 199.662 2.806 10 30 AFEERN C=C=CC(=O)c1scc(C)c1Cl 235825773 344768157 /nfs/dbraw/zinc/76/81/57/344768157.db2.gz JFMPQLILIKMAME-UHFFFAOYSA-N 0 0 198.674 2.916 10 30 AFEERN C=CC(=O)c1cc(F)c(C)cc1F 235867441 344769216 /nfs/dbraw/zinc/76/92/16/344769216.db2.gz DBQXRYRKHCXJCG-UHFFFAOYSA-N 0 0 182.169 2.642 10 30 AFEERN Cc1ccc(OCC2CC2)c(C#N)c1 235863018 344769225 /nfs/dbraw/zinc/76/92/25/344769225.db2.gz ZJAGQPCJYWNNMJ-UHFFFAOYSA-N 0 0 187.242 2.656 10 30 AFEERN N#Cc1ccccc1NC/C=C/Cl 236016249 344771462 /nfs/dbraw/zinc/77/14/62/344771462.db2.gz MDGUHTYMZRKEDL-ZZXKWVIFSA-N 0 0 192.649 2.723 10 30 AFEERN N#Cc1ccnc(N=[N+]=[N-])c1Cl 236031240 344771469 /nfs/dbraw/zinc/77/14/69/344771469.db2.gz ZZDCGFODYWNPKT-UHFFFAOYSA-N 0 0 179.570 2.548 10 30 AFEERN N#CC1(Nc2ccccc2Cl)CC1 236051863 344771742 /nfs/dbraw/zinc/77/17/42/344771742.db2.gz JPULYEXSRNPGFO-UHFFFAOYSA-N 0 0 192.649 2.808 10 30 AFEERN CC=CC(=O)c1ccc(Cl)o1 236042497 344771807 /nfs/dbraw/zinc/77/18/07/344771807.db2.gz FPPXQJUIVDPIAR-UHFFFAOYSA-N 0 0 170.595 2.692 10 30 AFEERN C=CC(=O)Cc1ccc(Cl)s1 236044936 344771856 /nfs/dbraw/zinc/77/18/56/344771856.db2.gz QTLZQWSZUJUAKZ-UHFFFAOYSA-N 0 0 186.663 2.699 10 30 AFEERN CC=CC(=O)c1ccoc1Cl 236035770 344771857 /nfs/dbraw/zinc/77/18/57/344771857.db2.gz WGEALVCESFJDND-UHFFFAOYSA-N 0 0 170.595 2.692 10 30 AFEERN N#Cc1ccc(Cl)c(NC2CC2)c1 236039677 344771859 /nfs/dbraw/zinc/77/18/59/344771859.db2.gz CCMWCICTHYOUJX-UHFFFAOYSA-N 0 0 192.649 2.786 10 30 AFEERN [N-]=[N+]=Nc1ncc([N+](=O)[O-])cc1Cl 236051071 344771864 /nfs/dbraw/zinc/77/18/64/344771864.db2.gz WEGNLDXKMANNBR-UHFFFAOYSA-N 0 0 199.557 2.585 10 30 AFEERN N#CC1(Nc2ccc(Cl)cc2)CC1 236055913 344772045 /nfs/dbraw/zinc/77/20/45/344772045.db2.gz CLYHZYQHHYIXSL-UHFFFAOYSA-N 0 0 192.649 2.808 10 30 AFEERN N#Cc1cc(NC2CC2)ccc1Cl 236056061 344772127 /nfs/dbraw/zinc/77/21/27/344772127.db2.gz YZHBKCOLQOOTGG-UHFFFAOYSA-N 0 0 192.649 2.786 10 30 AFEERN O=C(C1=CCCCCC1)C(F)F 236124749 344774670 /nfs/dbraw/zinc/77/46/70/344774670.db2.gz LYAKUXRKOBBEBC-UHFFFAOYSA-N 0 0 174.190 2.711 10 30 AFEERN O=C(C1=CCCCC1)C(F)(F)Cl 236124328 344774671 /nfs/dbraw/zinc/77/46/71/344774671.db2.gz JFLUDCFXTOUKKR-UHFFFAOYSA-N 0 0 194.608 2.888 10 30 AFEERN C=CC(=O)c1cc(F)ccc1Cl 236137052 344775404 /nfs/dbraw/zinc/77/54/04/344775404.db2.gz ARNMXTUGXOMGGE-UHFFFAOYSA-N 0 0 184.597 2.848 10 30 AFEERN O=C(C1=CCCC1)C(F)(F)C(F)F 236147752 344775596 /nfs/dbraw/zinc/77/55/96/344775596.db2.gz KHHNEAYAIPGSLJ-UHFFFAOYSA-N 0 0 196.143 2.566 10 30 AFEERN [N-]=[N+]=Nc1nccc2occc12 236184877 344777145 /nfs/dbraw/zinc/77/71/45/344777145.db2.gz LWRVOCGGCAZFSG-UHFFFAOYSA-N 0 0 160.136 2.770 10 30 AFEERN Cc1cc(Cl)c(C#N)cc1F 238494087 344809330 /nfs/dbraw/zinc/80/93/30/344809330.db2.gz CIRJKTDSAWJMMZ-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN O=C(C1=CCCCC1)c1cncs1 236392953 344784066 /nfs/dbraw/zinc/78/40/66/344784066.db2.gz JVHNLTDLLCXANR-UHFFFAOYSA-N 0 0 193.271 2.826 10 30 AFEERN O=C(C1=CCCCC1)[C@@H]1CCSC1 236399587 344784306 /nfs/dbraw/zinc/78/43/06/344784306.db2.gz BFEWLYVVOVNQCE-SNVBAGLBSA-N 0 0 196.315 2.809 10 30 AFEERN O=C(C=C1CCCCC1)C1=CCCO1 236405149 344784308 /nfs/dbraw/zinc/78/43/08/344784308.db2.gz RUTYDFNRSZUHSR-UHFFFAOYSA-N 0 0 192.258 2.750 10 30 AFEERN O=C(C1=CCCCC1)[C@@H]1CCCS1 236397629 344784343 /nfs/dbraw/zinc/78/43/43/344784343.db2.gz WSBLREIDTBLFQP-JTQLQIEISA-N 0 0 196.315 2.952 10 30 AFEERN O=C(C=C1CCCCC1)C1CC1 236405160 344784440 /nfs/dbraw/zinc/78/44/40/344784440.db2.gz HRIOUDZGRFJSLM-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN O=C(C1=CCCCC1)[C@H]1CCCS1 236398407 344784509 /nfs/dbraw/zinc/78/45/09/344784509.db2.gz WSBLREIDTBLFQP-SNVBAGLBSA-N 0 0 196.315 2.952 10 30 AFEERN C=C(C)CC1(C)C=CC(=O)C=C1 238077763 344792494 /nfs/dbraw/zinc/79/24/94/344792494.db2.gz BNGZRAUEHRBYOI-UHFFFAOYSA-N 0 0 162.232 2.654 10 30 AFEERN C=C(C)C(=O)C=C1CCCC1 238059754 344792536 /nfs/dbraw/zinc/79/25/36/344792536.db2.gz RFAPFBILYHFCIQ-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(=O)CCC(C)(C)CCC#N 238092461 344793165 /nfs/dbraw/zinc/79/31/65/344793165.db2.gz JEMCSEPIHFPABR-UHFFFAOYSA-N 0 0 167.252 2.686 10 30 AFEERN CC(C)C1=CC(=O)C[C@@H](C)C1 238106949 344793180 /nfs/dbraw/zinc/79/31/80/344793180.db2.gz KLAFTIVCYMLWNT-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)C1=CC(=O)C[C@H](C)C1 238107006 344793284 /nfs/dbraw/zinc/79/32/84/344793284.db2.gz KLAFTIVCYMLWNT-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)Cc1cc(O)ccc1C 238106922 344793314 /nfs/dbraw/zinc/79/33/14/344793314.db2.gz DVZJNAGHNMHZTK-UHFFFAOYSA-N 0 0 162.232 2.819 10 30 AFEERN CC(C)(C)c1cc(O)ccc1C#N 238120419 344793708 /nfs/dbraw/zinc/79/37/08/344793708.db2.gz GQEBWPNLSKDUGD-UHFFFAOYSA-N 0 0 175.231 2.561 10 30 AFEERN C=C(C)[C@]1(C)CCCC(=O)C1 238153468 344793928 /nfs/dbraw/zinc/79/39/28/344793928.db2.gz PYDFESBJERUXQL-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)=CC(=O)CC1CC=CC1 238134295 344794220 /nfs/dbraw/zinc/79/42/20/344794220.db2.gz RGOSLYIGXQBFNK-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)c1cc(Cl)ccc1N 238157125 344794721 /nfs/dbraw/zinc/79/47/21/344794721.db2.gz LGMSDRBZEFBXJU-UHFFFAOYSA-N 0 0 167.639 2.955 10 30 AFEERN C=C[C@@H](O)CC#CCCCCCC 238192886 344795227 /nfs/dbraw/zinc/79/52/27/344795227.db2.gz CKSNTAWBMRQSGC-GFCCVEGCSA-N 0 0 180.291 2.897 10 30 AFEERN C=C[C@H](O)C/C=C/CCCC 238191250 344795307 /nfs/dbraw/zinc/79/53/07/344795307.db2.gz WVXZWZUPAZXFOX-JARNTUPDSA-N 0 0 154.253 2.670 10 30 AFEERN C=C[C@@H](O)C/C=C/CCCC 238191536 344795382 /nfs/dbraw/zinc/79/53/82/344795382.db2.gz WVXZWZUPAZXFOX-QROSGCPLSA-N 0 0 154.253 2.670 10 30 AFEERN CC(C)[C@@H](C)C1=CC(=O)CC1 238196080 344795387 /nfs/dbraw/zinc/79/53/87/344795387.db2.gz MWUWCXASUBSTGT-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CC1(C)CCCCC(C=O)=C1O 238200622 344795702 /nfs/dbraw/zinc/79/57/02/344795702.db2.gz WTDYBBRNKRNFQB-BQYQJAHWSA-N 0 0 168.236 2.598 10 30 AFEERN C=CC[C@H]1CCCC(=O)C1(C)C 238205111 344795878 /nfs/dbraw/zinc/79/58/78/344795878.db2.gz BSFMLHQULXLWJM-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC(/C=C/CO)(CC)CC 238205917 344795979 /nfs/dbraw/zinc/79/59/79/344795979.db2.gz AWWQZKYBBZDJGZ-VQHVLOKHSA-N 0 0 168.280 2.917 10 30 AFEERN CCC1=CC(=O)C(C)(C)CC1 238239058 344796448 /nfs/dbraw/zinc/79/64/48/344796448.db2.gz ZBEDSYHBRAHNNQ-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@@H]1CCCC(=O)C1(C)C 238233841 344796558 /nfs/dbraw/zinc/79/65/58/344796558.db2.gz BSFMLHQULXLWJM-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C#Cc1ccccc1C1(C)CC1 238242494 344796979 /nfs/dbraw/zinc/79/69/79/344796979.db2.gz SKXUXSOAJBNISJ-UHFFFAOYSA-N 0 0 156.228 2.719 10 30 AFEERN CC[C@](C)(C=O)c1ccc(OC)cc1 238275939 344798541 /nfs/dbraw/zinc/79/85/41/344798541.db2.gz BUDCNOLHYWZLMG-GFCCVEGCSA-N 0 0 192.258 2.562 10 30 AFEERN C=C[C@]1(CC)CCCCC1=O 238274976 344798610 /nfs/dbraw/zinc/79/86/10/344798610.db2.gz NPXODIVOWOZNEM-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN COc1ccc(C#N)c(C(F)F)c1 238340683 344801878 /nfs/dbraw/zinc/80/18/78/344801878.db2.gz OLNKJEPTXORMAG-UHFFFAOYSA-N 0 0 183.157 2.504 10 30 AFEERN COc1ccc(C#N)cc1C(F)F 238342589 344801951 /nfs/dbraw/zinc/80/19/51/344801951.db2.gz RTMZNPRPWPBXPA-UHFFFAOYSA-N 0 0 183.157 2.504 10 30 AFEERN COc1c(C#N)cccc1C(F)F 238344334 344801976 /nfs/dbraw/zinc/80/19/76/344801976.db2.gz HOFZGLVEMRRWPY-UHFFFAOYSA-N 0 0 183.157 2.504 10 30 AFEERN COc1cc(C(F)F)ccc1C#N 238348422 344802417 /nfs/dbraw/zinc/80/24/17/344802417.db2.gz CDTVVTCSHBHOTN-UHFFFAOYSA-N 0 0 183.157 2.504 10 30 AFEERN COc1cccc(C(F)F)c1C#N 238364104 344803250 /nfs/dbraw/zinc/80/32/50/344803250.db2.gz BFWMDUZMMODZJU-UHFFFAOYSA-N 0 0 183.157 2.504 10 30 AFEERN COc1cccc(C#N)c1C(F)F 238360626 344803293 /nfs/dbraw/zinc/80/32/93/344803293.db2.gz OKKYINZVHHRMEH-UHFFFAOYSA-N 0 0 183.157 2.504 10 30 AFEERN C=C[C@@H](C)CNc1ccccc1 238366938 344803655 /nfs/dbraw/zinc/80/36/55/344803655.db2.gz AVMICCZSERVUAD-SNVBAGLBSA-N 0 0 161.248 2.921 10 30 AFEERN C=C[C@H](C)[C@@H](O)c1ccccc1OC 238373363 344804000 /nfs/dbraw/zinc/80/40/00/344804000.db2.gz AZPZEHFJDAXOPM-JOYOIKCWSA-N 0 0 192.258 2.551 10 30 AFEERN C[C@@H](O)c1ccc(C#N)c2ccccc12 238386923 344804712 /nfs/dbraw/zinc/80/47/12/344804712.db2.gz OHRZUUVEFYNMBI-SECBINFHSA-N 0 0 197.237 2.765 10 30 AFEERN COc1cc(CC#N)cc2ccccc12 238392464 344804871 /nfs/dbraw/zinc/80/48/71/344804871.db2.gz QENIFLDOAVYOBH-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN C[C@@H]1CCCC[C@H]1n1cc(C#N)cn1 238395813 344805071 /nfs/dbraw/zinc/80/50/71/344805071.db2.gz ZSLJVMXHYUYYLM-MWLCHTKSSA-N 0 0 189.262 2.506 10 30 AFEERN COc1cccc2cccc(CC#N)c12 238405673 344805665 /nfs/dbraw/zinc/80/56/65/344805665.db2.gz AUQLFPKVJUTAOB-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN COc1cc2ccccc2cc1CC#N 238404569 344805695 /nfs/dbraw/zinc/80/56/95/344805695.db2.gz IYRHSNSUWLVSOW-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN C=CC[C@@H]1C[C@@H](C)C(=O)C=C1C 238423917 344805955 /nfs/dbraw/zinc/80/59/55/344805955.db2.gz PYDDSRVUUSBMEU-NXEZZACHSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@H]1CCCC[C@@H]1n1cc(C#N)cn1 238429180 344806510 /nfs/dbraw/zinc/80/65/10/344806510.db2.gz ZSLJVMXHYUYYLM-ONGXEEELSA-N 0 0 189.262 2.506 10 30 AFEERN C[C@H]1CCCC[C@H]1n1cc(C#N)cn1 238438467 344806651 /nfs/dbraw/zinc/80/66/51/344806651.db2.gz ZSLJVMXHYUYYLM-GXSJLCMTSA-N 0 0 189.262 2.506 10 30 AFEERN C[C@H](O)c1ccc(C#N)c2ccccc12 238438557 344806705 /nfs/dbraw/zinc/80/67/05/344806705.db2.gz OHRZUUVEFYNMBI-VIFPVBQESA-N 0 0 197.237 2.765 10 30 AFEERN C=CC[C@H]1C[C@H](C)C(=O)C=C1C 238438075 344806839 /nfs/dbraw/zinc/80/68/39/344806839.db2.gz PYDDSRVUUSBMEU-UWVGGRQHSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H]1C[C@@H]1COc1ccccc1C#N 238436157 344806865 /nfs/dbraw/zinc/80/68/65/344806865.db2.gz FLIZIFOERKOPLH-MWLCHTKSSA-N 0 0 187.242 2.593 10 30 AFEERN Cc1ccc(C(F)F)cc1C#N 238448076 344807155 /nfs/dbraw/zinc/80/71/55/344807155.db2.gz DRTZSYBCJXFUSR-UHFFFAOYSA-N 0 0 167.158 2.804 10 30 AFEERN C#CC(=O)[C@@]1(C)CC[C@H](C)C1(C)C 238450132 344807162 /nfs/dbraw/zinc/80/71/62/344807162.db2.gz MBYLAUJIWOTDJW-JOYOIKCWSA-N 0 0 178.275 2.651 10 30 AFEERN Cc1ccc(C(F)F)c(C#N)c1 238447354 344807167 /nfs/dbraw/zinc/80/71/67/344807167.db2.gz QCJVFFHZWGAASQ-UHFFFAOYSA-N 0 0 167.158 2.804 10 30 AFEERN Cc1cc(C)c(C)c(O[C@@H](C)C=O)c1 238465567 344807804 /nfs/dbraw/zinc/80/78/04/344807804.db2.gz HHAURBUAYZLISC-JTQLQIEISA-N 0 0 192.258 2.578 10 30 AFEERN C[C@](C#N)(Nc1ccccc1)C(F)F 238461029 344807843 /nfs/dbraw/zinc/80/78/43/344807843.db2.gz JWUVPEMUVZERKN-SNVBAGLBSA-N 0 0 196.200 2.646 10 30 AFEERN C[C@@H]1CCCC[C@@H]1n1cc(C#N)cn1 238460635 344807898 /nfs/dbraw/zinc/80/78/98/344807898.db2.gz ZSLJVMXHYUYYLM-KOLCDFICSA-N 0 0 189.262 2.506 10 30 AFEERN Cc1ccnc(C)c1N=[N+]=[N-] 238467856 344808067 /nfs/dbraw/zinc/80/80/67/344808067.db2.gz SPGURVWFJPCVOE-UHFFFAOYSA-N 0 0 148.169 2.640 10 30 AFEERN C#CC(=O)[C@]1(C)CC[C@H](C)C1(C)C 238489438 344808932 /nfs/dbraw/zinc/80/89/32/344808932.db2.gz MBYLAUJIWOTDJW-CABZTGNLSA-N 0 0 178.275 2.651 10 30 AFEERN Cc1c(F)ccc(CC#N)c1Cl 238487981 344809007 /nfs/dbraw/zinc/80/90/07/344809007.db2.gz MHYCDMOIJUEHAK-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN Cc1cccc(C#N)c1C(F)F 238499587 344809684 /nfs/dbraw/zinc/80/96/84/344809684.db2.gz DRJJYMFRULOGJD-UHFFFAOYSA-N 0 0 167.158 2.804 10 30 AFEERN C=CC[C@@H]1C[C@H](C)C(=O)C=C1C 238498939 344809702 /nfs/dbraw/zinc/80/97/02/344809702.db2.gz PYDDSRVUUSBMEU-VHSXEESVSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@H]1C[C@@H]1COc1ccccc1C#N 238508407 344810094 /nfs/dbraw/zinc/81/00/94/344810094.db2.gz FLIZIFOERKOPLH-GXSJLCMTSA-N 0 0 187.242 2.593 10 30 AFEERN [N-]=[N+]=Nc1cncc(Cl)c1 238512466 344810139 /nfs/dbraw/zinc/81/01/39/344810139.db2.gz ZMXCPGBIRFTWQM-UHFFFAOYSA-N 0 0 154.560 2.677 10 30 AFEERN Cc1cc2ccnc(N=[N+]=[N-])c2[nH]1 238513558 344810220 /nfs/dbraw/zinc/81/02/20/344810220.db2.gz BSHCFIVFYYNLEQ-UHFFFAOYSA-N 0 0 173.179 2.813 10 30 AFEERN C=C(Cl)Cc1cccc(C)c1O 238517317 344810415 /nfs/dbraw/zinc/81/04/15/344810415.db2.gz DXAACWZMCHCHDW-UHFFFAOYSA-N 0 0 182.650 2.996 10 30 AFEERN Cc1cc(CC#N)c2ncccc2c1 238522441 344810441 /nfs/dbraw/zinc/81/04/41/344810441.db2.gz HVRCOEXOWVTVJB-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN C=CCC[C@H](O)C(=C)[Si](C)(C)C 238519077 344810444 /nfs/dbraw/zinc/81/04/44/344810444.db2.gz AXZFLEXPNUYQEY-JTQLQIEISA-N 0 0 184.355 2.747 10 30 AFEERN C=CCC[C@@H](O)C(=C)[Si](C)(C)C 238519211 344810463 /nfs/dbraw/zinc/81/04/63/344810463.db2.gz AXZFLEXPNUYQEY-SNVBAGLBSA-N 0 0 184.355 2.747 10 30 AFEERN C=CCCCc1cccc(C)n1 238518198 344810491 /nfs/dbraw/zinc/81/04/91/344810491.db2.gz LJKWJNBSWLORIT-UHFFFAOYSA-N 0 0 161.248 2.899 10 30 AFEERN O=C1CCC=C1c1cccc(F)c1 238529997 344811074 /nfs/dbraw/zinc/81/10/74/344811074.db2.gz NUAJDJMZIBPPQN-UHFFFAOYSA-N 0 0 176.190 2.572 10 30 AFEERN Cc1ccc(C#N)c(C(F)F)c1 238541820 344812103 /nfs/dbraw/zinc/81/21/03/344812103.db2.gz KXXGRNQKZSPGGZ-UHFFFAOYSA-N 0 0 167.158 2.804 10 30 AFEERN Cc1cccc2c1C=C(CC=O)CC2 238550356 344812345 /nfs/dbraw/zinc/81/23/45/344812345.db2.gz HWMPYYJIQSSCJG-UHFFFAOYSA-N 0 0 186.254 2.914 10 30 AFEERN N#Cc1sc(Cl)nc1C1CC1 238561737 344812972 /nfs/dbraw/zinc/81/29/72/344812972.db2.gz BVKSPGLRPSMIFY-UHFFFAOYSA-N 0 0 184.651 2.546 10 30 AFEERN N#Cc1cccc2cnc(Cl)cc12 238555970 344813035 /nfs/dbraw/zinc/81/30/35/344813035.db2.gz GPFAFOKCDSBGKH-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN N#Cc1cccc(F)c1C(F)F 238577173 344813761 /nfs/dbraw/zinc/81/37/61/344813761.db2.gz AOOWNWLVPQFVAN-UHFFFAOYSA-N 0 0 171.121 2.635 10 30 AFEERN N#Cc1cc(F)c2ccccc2c1 238578533 344814251 /nfs/dbraw/zinc/81/42/51/344814251.db2.gz JGLDIHIESHQJKY-UHFFFAOYSA-N 0 0 171.174 2.851 10 30 AFEERN N#Cc1cccc2ccc(F)cc12 238622442 344816081 /nfs/dbraw/zinc/81/60/81/344816081.db2.gz HJYLJZNRJNAURD-UHFFFAOYSA-N 0 0 171.174 2.851 10 30 AFEERN C=C(c1ccccc1N)C(F)(F)F 238638166 344816652 /nfs/dbraw/zinc/81/66/52/344816652.db2.gz KJQMWXVBLBVNJB-UHFFFAOYSA-N 0 0 187.164 2.844 10 30 AFEERN N#CCc1cccc2cc(O)ccc12 238666992 344817850 /nfs/dbraw/zinc/81/78/50/344817850.db2.gz SNCQOHCLTOVKRU-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN C=CC1(CO)CCCCCC1 238696066 344819704 /nfs/dbraw/zinc/81/97/04/344819704.db2.gz AZVGHNNHXZLZQO-UHFFFAOYSA-N 0 0 154.253 2.505 10 30 AFEERN C=C[C@H](O)CC=C1CCCCC1 238698669 344820085 /nfs/dbraw/zinc/82/00/85/344820085.db2.gz QVGCMZOEVIXEBJ-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN C=CCC(F)(F)[C@@H](O)c1ccccc1 238704845 344820679 /nfs/dbraw/zinc/82/06/79/344820679.db2.gz OCNPOLSWLANCTQ-JTQLQIEISA-N 0 0 198.212 2.931 10 30 AFEERN C=C1C=Cc2ccccc2[C@H](O)C1 238710430 344821127 /nfs/dbraw/zinc/82/11/27/344821127.db2.gz NRGWIJBBDFBJIT-GFCCVEGCSA-N 0 0 172.227 2.693 10 30 AFEERN N#CCc1ccc(O)c2ccccc12 238715251 344821160 /nfs/dbraw/zinc/82/11/60/344821160.db2.gz DYTXJCXNUZRQRT-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN N#CCc1cc(O)cc2ccccc12 238717585 344821628 /nfs/dbraw/zinc/82/16/28/344821628.db2.gz CQPCHYKUMVYKRA-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN C=CCC(F)(F)[C@H](O)c1ccccc1 238718660 344821668 /nfs/dbraw/zinc/82/16/68/344821668.db2.gz OCNPOLSWLANCTQ-SNVBAGLBSA-N 0 0 198.212 2.931 10 30 AFEERN C=C1C=Cc2ccccc2[C@@H](O)C1 238722524 344821696 /nfs/dbraw/zinc/82/16/96/344821696.db2.gz NRGWIJBBDFBJIT-LBPRGKRZSA-N 0 0 172.227 2.693 10 30 AFEERN C#CCOc1cccc2c(O)cccc12 238726264 344822094 /nfs/dbraw/zinc/82/20/94/344822094.db2.gz WNKMUNOWRCCLNM-UHFFFAOYSA-N 0 0 198.221 2.557 10 30 AFEERN N#CCc1cccc2c(O)cccc12 238726139 344822143 /nfs/dbraw/zinc/82/21/43/344822143.db2.gz IVRFEARRVNVYOO-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN N#CCc1cccc2cccc(O)c12 238726553 344822175 /nfs/dbraw/zinc/82/21/75/344822175.db2.gz WCVKSEONLOZOEB-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN CCC[C@@H](C=O)c1ccc(F)cc1 238794849 344822527 /nfs/dbraw/zinc/82/25/27/344822527.db2.gz SUBLOPPQBZFCBD-JTQLQIEISA-N 0 0 180.222 2.908 10 30 AFEERN C#CC(=O)[C@]1(C)CC[C@@H](C)C1(C)C 238803497 344822759 /nfs/dbraw/zinc/82/27/59/344822759.db2.gz MBYLAUJIWOTDJW-SKDRFNHKSA-N 0 0 178.275 2.651 10 30 AFEERN C#CC(=O)[C@@]1(C)CC[C@@H](C)C1(C)C 238804478 344822972 /nfs/dbraw/zinc/82/29/72/344822972.db2.gz MBYLAUJIWOTDJW-BXKDBHETSA-N 0 0 178.275 2.651 10 30 AFEERN CCN(CC#N)[C@@H]1CC[C@@H](C)[C@H](C)C1 249849510 344827828 /nfs/dbraw/zinc/82/78/28/344827828.db2.gz AGJVOPYOBHYTQL-IJLUTSLNSA-N 0 0 194.322 2.657 10 30 AFEERN CCN(CC#N)[C@@H]1CC[C@H](C)[C@@H](C)C1 249849514 344828124 /nfs/dbraw/zinc/82/81/24/344828124.db2.gz AGJVOPYOBHYTQL-SDDRHHMPSA-N 0 0 194.322 2.657 10 30 AFEERN CCN(CC#N)[C@@H]1C[C@@H](C)C[C@@H](C)C1 249991222 344828544 /nfs/dbraw/zinc/82/85/44/344828544.db2.gz MZGCMFNIOXORFZ-GDNZZTSVSA-N 0 0 194.322 2.657 10 30 AFEERN CCCN[C@]1(C#N)CC[C@@H](C)C[C@H]1C 250888834 344842757 /nfs/dbraw/zinc/84/27/57/344842757.db2.gz WFGCVEBJNBGICR-UTUOFQBUSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H](C#N)N1CCC[C@H]1C1CCCC1 251022177 344844254 /nfs/dbraw/zinc/84/42/54/344844254.db2.gz DUNHPPLYYDWHKT-PWSUYJOCSA-N 0 0 192.306 2.553 10 30 AFEERN O=C(C1=CCCC1)[C@@H]1[C@H]2CCC[C@H]21 251020043 344844334 /nfs/dbraw/zinc/84/43/34/344844334.db2.gz DZODMQQSXFUTIR-URLYPYJESA-N 0 0 176.259 2.712 10 30 AFEERN C[C@@H](C#N)N1CCC[C@H]1C1CCCC1 251022174 344844309 /nfs/dbraw/zinc/84/43/09/344844309.db2.gz DUNHPPLYYDWHKT-JQWIXIFHSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@@H](C#N)N(C)[C@H](C)c1ccccc1 251055178 344845754 /nfs/dbraw/zinc/84/57/54/344845754.db2.gz TVVMILIFAHGHKN-WDEREUQCSA-N 0 0 188.274 2.591 10 30 AFEERN CC[C@H](C#N)N(C)[C@H]1CCC[C@@H](C)C1 251226096 344849822 /nfs/dbraw/zinc/84/98/22/344849822.db2.gz OSVPUXKDKGEJSY-UTUOFQBUSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H](C#N)N(C)[C@H]1CCCC[C@H]1C 251226042 344849910 /nfs/dbraw/zinc/84/99/10/344849910.db2.gz ORGPMQZAJJPVTF-UTUOFQBUSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H](C#N)N(C)[C@H]1CCC[C@H](C)C1 251226095 344850102 /nfs/dbraw/zinc/85/01/02/344850102.db2.gz OSVPUXKDKGEJSY-TUAOUCFPSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H](C#N)N(C)[C@H]1CCCC[C@@H]1C 251226039 344850125 /nfs/dbraw/zinc/85/01/25/344850125.db2.gz ORGPMQZAJJPVTF-TUAOUCFPSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H](C#N)N(C)[C@@H]1CCCC[C@H]1C 251226035 344850144 /nfs/dbraw/zinc/85/01/44/344850144.db2.gz ORGPMQZAJJPVTF-IJLUTSLNSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@@H](C#N)N1CCCCC[C@H]1C 251236648 344850508 /nfs/dbraw/zinc/85/05/08/344850508.db2.gz RVOGPASXMDDGFS-MNOVXSKESA-N 0 0 180.295 2.553 10 30 AFEERN CC[C@H](C#N)N1CCCCC[C@H]1C 251236644 344850561 /nfs/dbraw/zinc/85/05/61/344850561.db2.gz RVOGPASXMDDGFS-GHMZBOCLSA-N 0 0 180.295 2.553 10 30 AFEERN CCC[C@@H]1CCCN([C@H](C)C#N)CC1 251277600 344850887 /nfs/dbraw/zinc/85/08/87/344850887.db2.gz DSJVJOMXYBZWCA-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@H](C#N)N[C@H]1CCCCC[C@H]1C 251259150 344850893 /nfs/dbraw/zinc/85/08/93/344850893.db2.gz XSZMESUCCCDDGW-UTUOFQBUSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C#N)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 251259383 344850895 /nfs/dbraw/zinc/85/08/95/344850895.db2.gz YBFSKBBAZKZBRE-KXNHARMFSA-N 0 0 194.322 2.703 10 30 AFEERN CC[C@@H](C#N)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 251259386 344850984 /nfs/dbraw/zinc/85/09/84/344850984.db2.gz YBFSKBBAZKZBRE-WHOHXGKFSA-N 0 0 194.322 2.703 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CCCCC[C@H]1C 251259147 344851031 /nfs/dbraw/zinc/85/10/31/344851031.db2.gz XSZMESUCCCDDGW-IJLUTSLNSA-N 0 0 194.322 2.847 10 30 AFEERN CCC[C@H]1CCCN([C@H](C)C#N)CC1 251277598 344851072 /nfs/dbraw/zinc/85/10/72/344851072.db2.gz DSJVJOMXYBZWCA-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@H]1CCCCN1[C@H](C)C#N 251282374 344851457 /nfs/dbraw/zinc/85/14/57/344851457.db2.gz FGLJTTKFTPWIMG-MNOVXSKESA-N 0 0 180.295 2.553 10 30 AFEERN CC(C)[C@@H]1CCCCC1=NO 251320929 344851922 /nfs/dbraw/zinc/85/19/22/344851922.db2.gz MDURGSNPGQJTHQ-QMMMGPOBSA-N 0 0 155.241 2.663 10 30 AFEERN CC(C)[C@H]1CCCCC1=NO 251320925 344851971 /nfs/dbraw/zinc/85/19/71/344851971.db2.gz MDURGSNPGQJTHQ-MRVPVSSYSA-N 0 0 155.241 2.663 10 30 AFEERN CC[C@@H]1CCC[C@H](O[C@H](C)C#N)C1 251528800 344855698 /nfs/dbraw/zinc/85/56/98/344855698.db2.gz AGUOOQFTCSBQGX-MXWKQRLJSA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@H]1CCCN([C@@H](C#N)CC)CC1 251522920 344855836 /nfs/dbraw/zinc/85/58/36/344855836.db2.gz AARQGLQRXUQUQG-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@H]1CCC[C@@H](O[C@H](C)C#N)C1 251528790 344855930 /nfs/dbraw/zinc/85/59/30/344855930.db2.gz AGUOOQFTCSBQGX-GMTAPVOTSA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@H](C#N)N1[C@@H](C)CC[C@H]1CC 251590713 344859190 /nfs/dbraw/zinc/85/91/90/344859190.db2.gz JWKFIBRTCQWSOO-HBNTYKKESA-N 0 0 180.295 2.551 10 30 AFEERN CC[C@H](C#N)N1[C@H](C)CC[C@H]1CC 251590707 344859346 /nfs/dbraw/zinc/85/93/46/344859346.db2.gz JWKFIBRTCQWSOO-GMTAPVOTSA-N 0 0 180.295 2.551 10 30 AFEERN CC[C@H]1CC[C@@H](C)N1[C@@H](C#N)CC 251590717 344859457 /nfs/dbraw/zinc/85/94/57/344859457.db2.gz JWKFIBRTCQWSOO-OUAUKWLOSA-N 0 0 180.295 2.551 10 30 AFEERN CC[C@@H]1CCC[C@H](N(C)[C@H](C)C#N)C1 251649516 344863543 /nfs/dbraw/zinc/86/35/43/344863543.db2.gz GKQNKBZHSYHTPE-UTUOFQBUSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@@H]1CCC[C@@H](N(C)[C@H](C)C#N)C1 251649512 344863568 /nfs/dbraw/zinc/86/35/68/344863568.db2.gz GKQNKBZHSYHTPE-IJLUTSLNSA-N 0 0 194.322 2.799 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)C[C@]12CO2 251704767 344867110 /nfs/dbraw/zinc/86/71/10/344867110.db2.gz BJPUHZQRGZKFJL-MXWKQRLJSA-N 0 0 168.280 2.848 10 30 AFEERN CC(C)N[C@]1(C#N)CC[C@H](C)[C@H](C)C1 251715035 344867924 /nfs/dbraw/zinc/86/79/24/344867924.db2.gz IHEDZGIKYMNKKB-QJPTWQEYSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H]1CC[C@](Cl)(C#N)C[C@H]1C 251731472 344869257 /nfs/dbraw/zinc/86/92/57/344869257.db2.gz IXUOFMFELYSYQI-IWSPIJDZSA-N 0 0 171.671 2.944 10 30 AFEERN C[C@@H]1CC[C@@](Cl)(C#N)C[C@H]1C 251731470 344869285 /nfs/dbraw/zinc/86/92/85/344869285.db2.gz IXUOFMFELYSYQI-HLTSFMKQSA-N 0 0 171.671 2.944 10 30 AFEERN C[C@@H]1CC[C@@H](OCCS)C[C@H]1C 251759992 344871218 /nfs/dbraw/zinc/87/12/18/344871218.db2.gz KDFNUCXAADPRNV-OPRDCNLKSA-N 0 0 188.336 2.758 10 30 AFEERN C[C@@H]1CC[C@H](OCCS)C[C@H]1C 251759987 344871492 /nfs/dbraw/zinc/87/14/92/344871492.db2.gz KDFNUCXAADPRNV-BBBLOLIVSA-N 0 0 188.336 2.758 10 30 AFEERN C[C@H]1CC(C)(C)CCC1=NO 251782993 344873280 /nfs/dbraw/zinc/87/32/80/344873280.db2.gz FPLNYAIWCPHJRV-ZETCQYMHSA-N 0 0 155.241 2.663 10 30 AFEERN C[C@H]1CC(N(C)[C@H](C)C#N)C[C@H](C)C1 251794645 344873937 /nfs/dbraw/zinc/87/39/37/344873937.db2.gz GBBHUMAPBLUPLC-GMTAPVOTSA-N 0 0 194.322 2.655 10 30 AFEERN CC(C)N[C@]1(C#N)C[C@H](C)CC[C@H]1C 251795752 344873962 /nfs/dbraw/zinc/87/39/62/344873962.db2.gz GCFMAHGLQCOIHF-UTUOFQBUSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@H](N(C)[C@@H](C)C#N)C1 251794650 344873973 /nfs/dbraw/zinc/87/39/73/344873973.db2.gz GBBHUMAPBLUPLC-WHOHXGKFSA-N 0 0 194.322 2.655 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@H](N(C)[C@H](C)C#N)C1 251794648 344874003 /nfs/dbraw/zinc/87/40/03/344874003.db2.gz GBBHUMAPBLUPLC-KXNHARMFSA-N 0 0 194.322 2.655 10 30 AFEERN C[C@@H]1CC[C@H](OC[C@]2(C)CO2)C[C@H]1C 251914251 344879793 /nfs/dbraw/zinc/87/97/93/344879793.db2.gz UFGUCLHKYDMBAU-WISYIIOYSA-N 0 0 198.306 2.617 10 30 AFEERN C[C@@H]1CCC[C@H](SC[C@H]2CO2)C1 251918474 344879824 /nfs/dbraw/zinc/87/98/24/344879824.db2.gz UMUDDFZLYAANPQ-BBBLOLIVSA-N 0 0 186.320 2.697 10 30 AFEERN CC[C@H](C#N)N1CCCC[C@H]1CC 251918934 344880155 /nfs/dbraw/zinc/88/01/55/344880155.db2.gz YITPJRZJFARHOP-GHMZBOCLSA-N 0 0 180.295 2.553 10 30 AFEERN C[C@@H]1CCC[C@@H](SC[C@H]2CO2)C1 251918477 344880201 /nfs/dbraw/zinc/88/02/01/344880201.db2.gz UMUDDFZLYAANPQ-OPRDCNLKSA-N 0 0 186.320 2.697 10 30 AFEERN C[C@@H]1CC[C@H](OC[C@@]2(C)CO2)C[C@H]1C 251914254 344880221 /nfs/dbraw/zinc/88/02/21/344880221.db2.gz UFGUCLHKYDMBAU-WYUUTHIRSA-N 0 0 198.306 2.617 10 30 AFEERN C[C@@H]1CC[C@H](CC=O)C[C@H]1C 251948964 344882038 /nfs/dbraw/zinc/88/20/38/344882038.db2.gz WPWVKWWXBLCEQS-OPRDCNLKSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@@H]1CC[C@@H](CC=O)C[C@H]1C 251948962 344882112 /nfs/dbraw/zinc/88/21/12/344882112.db2.gz WPWVKWWXBLCEQS-BBBLOLIVSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@H]1[C@H](C)CCC[C@H]1C#N 251945198 344882150 /nfs/dbraw/zinc/88/21/50/344882150.db2.gz WHZGICUYVOAGRF-VGMNWLOBSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@@H]1[C@@H](C#N)CCC[C@H]1C 251945197 344882273 /nfs/dbraw/zinc/88/22/73/344882273.db2.gz WHZGICUYVOAGRF-HRDYMLBCSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@@H]1CC[C@H](C#N)C[C@H]1C 251975534 344882631 /nfs/dbraw/zinc/88/26/31/344882631.db2.gz YJVGNQLRSCOXHP-HLTSFMKQSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H](C#N)CC(=O)[C@@H]1CCC[C@H](C)C1 251966732 344882649 /nfs/dbraw/zinc/88/26/49/344882649.db2.gz XYEPAHLDOXFEGN-GARJFASQSA-N 0 0 193.290 2.932 10 30 AFEERN C[C@H](C#N)CC(=O)[C@H]1CCC[C@H](C)C1 251966729 344882800 /nfs/dbraw/zinc/88/28/00/344882800.db2.gz XYEPAHLDOXFEGN-DCAQKATOSA-N 0 0 193.290 2.932 10 30 AFEERN C[C@@H]1CC[C@@](C#N)(C[C@H]2CCCO2)C1 252088143 344883885 /nfs/dbraw/zinc/88/38/85/344883885.db2.gz GTTLWEADFHRNEV-UTUOFQBUSA-N 0 0 193.290 2.885 10 30 AFEERN C[C@@H]1CC[C@](C#N)(C[C@H]2CCCO2)C1 252088142 344884053 /nfs/dbraw/zinc/88/40/53/344884053.db2.gz GTTLWEADFHRNEV-IJLUTSLNSA-N 0 0 193.290 2.885 10 30 AFEERN C[C@H](C#N)[C@@]1(O)CCC(C)(C)C[C@H]1C 252102577 344884927 /nfs/dbraw/zinc/88/49/27/344884927.db2.gz IOIXZIBUEDFXDT-CKYFFXLPSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H](C#N)[C@]1(O)CCC(C)(C)C[C@H]1C 252102579 344885400 /nfs/dbraw/zinc/88/54/00/344885400.db2.gz IOIXZIBUEDFXDT-FOGDFJRCSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@H](OCCC#N)C1 252165963 344888983 /nfs/dbraw/zinc/88/89/83/344888983.db2.gz QMBDVENJBSKTKK-URLYPYJESA-N 0 0 181.279 2.741 10 30 AFEERN CO[C@]1(C#N)C[C@H](C)CC[C@H]1C(C)C 252187964 344890653 /nfs/dbraw/zinc/89/06/53/344890653.db2.gz UOVKDMUHYJIVES-WOPDTQHZSA-N 0 0 195.306 2.987 10 30 AFEERN CO[C@]1(C#N)C[C@@H](C)CC[C@H]1C(C)C 252187963 344890661 /nfs/dbraw/zinc/89/06/61/344890661.db2.gz UOVKDMUHYJIVES-SRVKXCTJSA-N 0 0 195.306 2.987 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@H](OCCS)C1 252201292 344891696 /nfs/dbraw/zinc/89/16/96/344891696.db2.gz WIKLALPNGJNBBI-MYJAWHEDSA-N 0 0 188.336 2.758 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@]2(CC(=O)C=CO2)C1 252210173 344892207 /nfs/dbraw/zinc/89/22/07/344892207.db2.gz XYERFCYXGOMWAP-PEGIJTEDSA-N 0 0 194.274 2.684 10 30 AFEERN CCC(C)(C)[C@@H]1CC[C@H]2O[C@H]2C1 252364508 344893739 /nfs/dbraw/zinc/89/37/39/344893739.db2.gz MYCXMTSERDWHNH-BBBLOLIVSA-N 0 0 168.280 2.990 10 30 AFEERN CCCCCCC(C)=NO 252338844 344893966 /nfs/dbraw/zinc/89/39/66/344893966.db2.gz GZRPVYSKBVDCBV-UHFFFAOYSA-N 0 0 143.230 2.807 10 30 AFEERN CC[C@H](C)N[C@@]1(C#N)CCCC[C@H]1C 252386452 344894367 /nfs/dbraw/zinc/89/43/67/344894367.db2.gz QNHQXEWWLSBUSD-GRYCIOLGSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)N[C@]1(C#N)CCCC[C@H]1C 252386453 344894385 /nfs/dbraw/zinc/89/43/85/344894385.db2.gz QNHQXEWWLSBUSD-WOPDTQHZSA-N 0 0 194.322 2.847 10 30 AFEERN CC(=NO)c1cc2ccccc2o1 252370080 344894456 /nfs/dbraw/zinc/89/44/56/344894456.db2.gz ODADWVAESHXVQX-UHFFFAOYSA-N 0 0 175.187 2.631 10 30 AFEERN CC(=NO)c1cc(C)ccc1C 252369975 344894462 /nfs/dbraw/zinc/89/44/62/344894462.db2.gz KDLGEBUJVZKLMM-UHFFFAOYSA-N 0 0 163.220 2.502 10 30 AFEERN CC(=NO)c1ccc(F)c(Cl)c1 252426716 344895396 /nfs/dbraw/zinc/89/53/96/344895396.db2.gz VQWDTHFWUJEILW-UHFFFAOYSA-N 0 0 187.601 2.677 10 30 AFEERN ON=C1CCCCc2ccccc21 252469961 344899012 /nfs/dbraw/zinc/89/90/12/344899012.db2.gz ADICYZCHPFSRFC-UHFFFAOYSA-N 0 0 175.231 2.591 10 30 AFEERN ON=C1CCC[C@H](C(F)(F)F)C1 252472781 344898983 /nfs/dbraw/zinc/89/89/83/344898983.db2.gz QRDBEVXFSSCNQS-YFKPBYRVSA-N 0 0 181.157 2.569 10 30 AFEERN ON=C1CCC[C@@H](C(F)(F)F)C1 252472780 344899036 /nfs/dbraw/zinc/89/90/36/344899036.db2.gz QRDBEVXFSSCNQS-RXMQYKEDSA-N 0 0 181.157 2.569 10 30 AFEERN O=C(C1=CCCC1)[C@H]1C[C@@H]2C[C@@H]2C1 252476269 344899472 /nfs/dbraw/zinc/89/94/72/344899472.db2.gz QCVRHARYAKHALM-JGPRNRPPSA-N 0 0 176.259 2.712 10 30 AFEERN C[C@@H]1CC[C@@](O)(C(C)(C)C#N)C[C@H]1C 252546142 344901006 /nfs/dbraw/zinc/90/10/06/344901006.db2.gz KECJRESXXUXOPS-FOGDFJRCSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CCCC[C@H]1CC 252545292 344901014 /nfs/dbraw/zinc/90/10/14/344901014.db2.gz JFOOOHCOZLNSTJ-UTUOFQBUSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CC[C@H](C)C[C@H]1C 252547288 344901077 /nfs/dbraw/zinc/90/10/77/344901077.db2.gz LJIKSABGPADJNM-QCNOEVLYSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@H](C)[C@H](O)[C@@]1(C#N)CC[C@H](C)C1 252551406 344901112 /nfs/dbraw/zinc/90/11/12/344901112.db2.gz PPAZBDZJFKWZSW-BJDJZHNGSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@H](C#N)[C@@]1(O)CCCC[C@H]1CC 252545291 344901182 /nfs/dbraw/zinc/90/11/82/344901182.db2.gz JFOOOHCOZLNSTJ-IJLUTSLNSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CC[C@@H](C)C[C@H]1C 252547287 344901244 /nfs/dbraw/zinc/90/12/44/344901244.db2.gz LJIKSABGPADJNM-KKOKHZNYSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]1CC[C@](O)(C(C)(C)C#N)C[C@H]1C 252546141 344901445 /nfs/dbraw/zinc/90/14/45/344901445.db2.gz KECJRESXXUXOPS-CKYFFXLPSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@](O)(C(C)(C)C#N)C1 252556697 344901760 /nfs/dbraw/zinc/90/17/60/344901760.db2.gz TUZDJYXTMWAGDQ-PEGIJTEDSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1[C@H](C)CCC[C@]1(O)C(C)(C)C#N 252559083 344901894 /nfs/dbraw/zinc/90/18/94/344901894.db2.gz UYXDFMOUNWKZLG-JFGNBEQYSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1[C@H](C)CCC[C@@]1(O)C(C)(C)C#N 252559084 344901930 /nfs/dbraw/zinc/90/19/30/344901930.db2.gz UYXDFMOUNWKZLG-SCVCMEIPSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@](C)(C#N)[C@@]1(O)CCCC[C@H]1C 252559788 344901961 /nfs/dbraw/zinc/90/19/61/344901961.db2.gz VIPVLBZWTMTEJJ-IJLUTSLNSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@](C)(C#N)[C@]1(O)CCCC[C@H]1C 252559790 344902062 /nfs/dbraw/zinc/90/20/62/344902062.db2.gz VIPVLBZWTMTEJJ-UTUOFQBUSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@]1(O)C[C@@H](C)C[C@@H](C)C1 252566906 344902148 /nfs/dbraw/zinc/90/21/48/344902148.db2.gz ZXTQBXHXLYPHDM-WRWGMCAJSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H](C#N)[C@]1(O)C[C@@H](C)C[C@@H](C)C1 252566905 344902400 /nfs/dbraw/zinc/90/24/00/344902400.db2.gz ZXTQBXHXLYPHDM-USZNOCQGSA-N 0 0 195.306 2.723 10 30 AFEERN CCC[C@H](C#N)[C@@]1(O)CCCC[C@H]1C 252599590 344904266 /nfs/dbraw/zinc/90/42/66/344904266.db2.gz KWULPQPGPMJFCI-IJLUTSLNSA-N 0 0 195.306 2.867 10 30 AFEERN CCC[C@H](C#N)[C@]1(O)CCCC[C@H]1C 252599591 344904308 /nfs/dbraw/zinc/90/43/08/344904308.db2.gz KWULPQPGPMJFCI-UTUOFQBUSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1cccc(N=Cc2ccccn2)n1 252608312 344904651 /nfs/dbraw/zinc/90/46/51/344904651.db2.gz HISAECYBTFBPNG-UHFFFAOYSA-N 0 0 197.241 2.536 10 30 AFEERN CSc1ccsc1C(C)=NO 252612279 344905050 /nfs/dbraw/zinc/90/50/50/344905050.db2.gz IRNVTBHNALDBFS-UHFFFAOYSA-N 0 0 187.289 2.668 10 30 AFEERN C(=Nc1nccs1)c1ccccc1 252627779 344905453 /nfs/dbraw/zinc/90/54/53/344905453.db2.gz SBGSQYOYJARUKS-UHFFFAOYSA-N 0 0 188.255 2.894 10 30 AFEERN ON=C1CCCc2ccc(Cl)cc21 252617184 344905509 /nfs/dbraw/zinc/90/55/09/344905509.db2.gz KNWZLQDFUWEVLX-UHFFFAOYSA-N 0 0 195.649 2.855 10 30 AFEERN C=C(C)[C@]1(O)C[C@@H](C)C[C@@H](C)C1 252641634 344905829 /nfs/dbraw/zinc/90/58/29/344905829.db2.gz LZVDVHCQXKKMBE-JGPRNRPPSA-N 0 0 168.280 2.750 10 30 AFEERN CC1(C)C(C=NO)=Nc2ccccc21 252635188 344905889 /nfs/dbraw/zinc/90/58/89/344905889.db2.gz WUUPFUBUULEJMQ-UHFFFAOYSA-N 0 0 188.230 2.510 10 30 AFEERN C[C@H]1CC(C[C@H]2CO2)C[C@H](C)C1 252717337 344910007 /nfs/dbraw/zinc/91/00/07/344910007.db2.gz BABYNCBZGPZMCN-KKZNHRDASA-N 0 0 168.280 2.848 10 30 AFEERN C[C@@H]1CCC[C@H](C[C@H]2CO2)C1 252721372 344910317 /nfs/dbraw/zinc/91/03/17/344910317.db2.gz NMAJPDVOXAYQFN-UTLUCORTSA-N 0 0 154.253 2.602 10 30 AFEERN C[C@@H]1CCC[C@@H](C[C@H]2CO2)C1 252721371 344910325 /nfs/dbraw/zinc/91/03/25/344910325.db2.gz NMAJPDVOXAYQFN-BBBLOLIVSA-N 0 0 154.253 2.602 10 30 AFEERN C[C@@H]1CC[C@H](C[C@H]2CO2)C[C@H]1C 252722642 344910332 /nfs/dbraw/zinc/91/03/32/344910332.db2.gz RCWZABCSSPISRP-ZNSHCXBVSA-N 0 0 168.280 2.848 10 30 AFEERN C[C@H]1C[C@@H](C[C@H]2CO2)CC[C@H]1C 252722641 344910333 /nfs/dbraw/zinc/91/03/33/344910333.db2.gz RCWZABCSSPISRP-RCWTZXSCSA-N 0 0 168.280 2.848 10 30 AFEERN CC(=O)/C=C1/CCC[C@H](C)[C@@H]1C 252761219 344913118 /nfs/dbraw/zinc/91/31/18/344913118.db2.gz DFSXSMUWRVHXMY-QPUYFAPQSA-N 0 0 166.264 2.958 10 30 AFEERN C#CCCC[C@]1(O)CC[C@@H](C)[C@H](C)C1 252761444 344913216 /nfs/dbraw/zinc/91/32/16/344913216.db2.gz MXIAFKPFHGEGOE-UPJWGTAASA-N 0 0 194.318 2.977 10 30 AFEERN C#CCCC[C@]1(O)CC[C@H](C)[C@H](C)C1 252761446 344913245 /nfs/dbraw/zinc/91/32/45/344913245.db2.gz MXIAFKPFHGEGOE-XQQFMLRXSA-N 0 0 194.318 2.977 10 30 AFEERN CC(=O)/C=C1/CC[C@H](C)C[C@H]1C 252783390 344913962 /nfs/dbraw/zinc/91/39/62/344913962.db2.gz NVVAWGNHQIWMHG-AGNDYLJSSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C1/CC[C@H](C)[C@H](C)C1 252783405 344913975 /nfs/dbraw/zinc/91/39/75/344913975.db2.gz NWKPUARIOZRQBH-AGNDYLJSSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)/C=C1\C[C@H](C)CC[C@@H]1C 252786603 344914295 /nfs/dbraw/zinc/91/42/95/344914295.db2.gz PSNDNKQUWGRDAW-RENQFVIFSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H]1CCCCCN1[C@H](C)C#N 252879648 344917814 /nfs/dbraw/zinc/91/78/14/344917814.db2.gz YXVYWXQRFCCHED-MNOVXSKESA-N 0 0 180.295 2.553 10 30 AFEERN C=C(C)CC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 252897753 344918236 /nfs/dbraw/zinc/91/82/36/344918236.db2.gz DTLDFSRTOSAWAL-SVDPJWKOSA-N 0 0 196.290 2.581 10 30 AFEERN C=C(C)CC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 252897754 344918246 /nfs/dbraw/zinc/91/82/46/344918246.db2.gz DTLDFSRTOSAWAL-WDCWCFNPSA-N 0 0 196.290 2.581 10 30 AFEERN C=C(C)CC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 252897755 344918314 /nfs/dbraw/zinc/91/83/14/344918314.db2.gz DTLDFSRTOSAWAL-WYFGTUCQSA-N 0 0 196.290 2.581 10 30 AFEERN CC(C)=CC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 252903520 344918621 /nfs/dbraw/zinc/91/86/21/344918621.db2.gz OSCMLIXIKMWBCG-ILWJIGKKSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)=CC(=O)[C@@H]1[C@H]2CCC[C@H]21 252907142 344918710 /nfs/dbraw/zinc/91/87/10/344918710.db2.gz VYDLSKOLPBSWTP-JZYVYDRUSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 252907499 344918731 /nfs/dbraw/zinc/91/87/31/344918731.db2.gz WOYGPRHRUMTQPZ-MYJAWHEDSA-N 0 0 164.248 2.568 10 30 AFEERN CC#CCCC(=O)[C@@H]1[C@H]2CCCC[C@H]21 252907367 344918813 /nfs/dbraw/zinc/91/88/13/344918813.db2.gz WIHLBUIMXJHTAJ-PJXYFTJBSA-N 0 0 190.286 2.795 10 30 AFEERN C=CC[C@H](O)[C@@H]1CC[C@@H](C)[C@H](C)C1 253174915 344928976 /nfs/dbraw/zinc/92/89/76/344928976.db2.gz NNNIFWHCTOSODK-KKOKHZNYSA-N 0 0 182.307 2.996 10 30 AFEERN C=CC[C@H](O)[C@@H]1CC[C@H](C)[C@H](C)C1 253174916 344929292 /nfs/dbraw/zinc/92/92/92/344929292.db2.gz NNNIFWHCTOSODK-QCNOEVLYSA-N 0 0 182.307 2.996 10 30 AFEERN C=C(C)CC[C@@H]1CC[C@@H](O)[C@H]1C 253199824 344931387 /nfs/dbraw/zinc/93/13/87/344931387.db2.gz APYCGSMMWJHYBZ-HBNTYKKESA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)CC[C@@H]1CC[C@H](O)[C@H]1C 253199821 344931443 /nfs/dbraw/zinc/93/14/43/344931443.db2.gz APYCGSMMWJHYBZ-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN CCC(=NO)c1ccc(C)cc1 253624257 344934983 /nfs/dbraw/zinc/93/49/83/344934983.db2.gz KJRGLBSIKSRFMS-UHFFFAOYSA-N 0 0 163.220 2.583 10 30 AFEERN Oc1ccc(C=Nc2cccnc2)cc1 254291046 344935626 /nfs/dbraw/zinc/93/56/26/344935626.db2.gz HUTAHNQWKMSIDM-UHFFFAOYSA-N 0 0 198.225 2.538 10 30 AFEERN Fc1ccc(N=Cc2ccc[nH]2)cc1 254494739 344935821 /nfs/dbraw/zinc/93/58/21/344935821.db2.gz ZEBZFAJDJJCLBF-UHFFFAOYSA-N 0 0 188.205 2.904 10 30 AFEERN Cc1ccc(C=NNC(C)(C)C)s1 254573207 344935828 /nfs/dbraw/zinc/93/58/28/344935828.db2.gz POQILTRIYYMHQO-UHFFFAOYSA-N 0 0 196.319 2.779 10 30 AFEERN ON=C1CCC/C1=C/c1ccco1 254608721 344935950 /nfs/dbraw/zinc/93/59/50/344935950.db2.gz UGOKDRQCTOLNPS-NWRSUYGVSA-N 0 0 177.203 2.677 10 30 AFEERN Oc1ccccc1C=Nc1cccnc1 254567307 344935973 /nfs/dbraw/zinc/93/59/73/344935973.db2.gz RJMOGSGZQSAJDH-UHFFFAOYSA-N 0 0 198.225 2.538 10 30 AFEERN ON=C1CCC/C1=C\c1ccco1 254608720 344936113 /nfs/dbraw/zinc/93/61/13/344936113.db2.gz UGOKDRQCTOLNPS-FNARNRNOSA-N 0 0 177.203 2.677 10 30 AFEERN CCc1oc2ccccc2c1C=NO 254746350 344936368 /nfs/dbraw/zinc/93/63/68/344936368.db2.gz BUKQODPEAREPPX-UHFFFAOYSA-N 0 0 189.214 2.803 10 30 AFEERN CCc1cccc2c(C=NO)c[nH]c12 254756967 344936370 /nfs/dbraw/zinc/93/63/70/344936370.db2.gz QAIIYIRPHUYFQF-UHFFFAOYSA-N 0 0 188.230 2.538 10 30 AFEERN CC(=NO)c1ccc(Cl)cc1C 256162269 344940912 /nfs/dbraw/zinc/94/09/12/344940912.db2.gz AXKVQFBYXXVUIE-UHFFFAOYSA-N 0 0 183.638 2.847 10 30 AFEERN ON=C(c1ccccc1)C1CCC1 256664535 344941048 /nfs/dbraw/zinc/94/10/48/344941048.db2.gz KQTHGCNQSZBRLK-UHFFFAOYSA-N 0 0 175.231 2.665 10 30 AFEERN C/C=C/C=Nc1cnc2ccccn12 257351489 344941481 /nfs/dbraw/zinc/94/14/81/344941481.db2.gz FJWJBUREXNPYHU-ZVMGRCLESA-N 0 0 185.230 2.613 10 30 AFEERN Cc1cc(C)c(C(Cl)=NO)c(C)c1 257353526 344941813 /nfs/dbraw/zinc/94/18/13/344941813.db2.gz RSBLFMOUHJTMKH-UHFFFAOYSA-N 0 0 197.665 2.986 10 30 AFEERN ON=C/C(Cl)=C\c1ccccc1 257353105 344941858 /nfs/dbraw/zinc/94/18/58/344941858.db2.gz PJQVZKMPNJAPOM-IXPCETKVSA-N 0 0 181.622 2.726 10 30 AFEERN ON=C/C(Cl)=C/c1ccccc1 257353106 344941878 /nfs/dbraw/zinc/94/18/78/344941878.db2.gz PJQVZKMPNJAPOM-MIEAQYGASA-N 0 0 181.622 2.726 10 30 AFEERN N#CC1(C(=O)c2ccccc2)CCC1 259073409 344947258 /nfs/dbraw/zinc/94/72/58/344947258.db2.gz DRXSNPVJXSUNGZ-UHFFFAOYSA-N 0 0 185.226 2.563 10 30 AFEERN N#Cc1ccc(N2CCC[C@H]3C[C@H]32)cc1 259931048 344951386 /nfs/dbraw/zinc/95/13/86/344951386.db2.gz FJSBGJDXMOFBLV-WCQYABFASA-N 0 0 198.269 2.547 10 30 AFEERN N#Cc1ccc(N2CCC[C@@H]3C[C@@H]32)cc1 259931051 344951676 /nfs/dbraw/zinc/95/16/76/344951676.db2.gz FJSBGJDXMOFBLV-YPMHNXCESA-N 0 0 198.269 2.547 10 30 AFEERN CC(C)SCc1nc(C#N)cs1 259937906 344952118 /nfs/dbraw/zinc/95/21/18/344952118.db2.gz DRMJIJXXPDTHAB-UHFFFAOYSA-N 0 0 198.316 2.656 10 30 AFEERN CSCc1ccc(C#N)c(F)c1 260752639 344953357 /nfs/dbraw/zinc/95/33/57/344953357.db2.gz GPYQDYSOSHHASQ-UHFFFAOYSA-N 0 0 181.235 2.560 10 30 AFEERN N#CC[C@H](F)C1CCCCC1 260936057 344954100 /nfs/dbraw/zinc/95/41/00/344954100.db2.gz YBMZPOSPWKKKNS-VIFPVBQESA-N 0 0 155.216 2.818 10 30 AFEERN CSCc1ccc(C)c(C#N)c1 260846965 344954164 /nfs/dbraw/zinc/95/41/64/344954164.db2.gz TWMRSAWMWMQUHH-UHFFFAOYSA-N 0 0 177.272 2.730 10 30 AFEERN N#CCN(c1ccccc1)C1CCC1 261143153 344954748 /nfs/dbraw/zinc/95/47/48/344954748.db2.gz QEJQNIJGGLWURL-UHFFFAOYSA-N 0 0 186.258 2.569 10 30 AFEERN CC1=Cc2cc(C)cn2C(C)(C)C1=O 261492828 344956321 /nfs/dbraw/zinc/95/63/21/344956321.db2.gz HJXZAMIEKAPBTH-UHFFFAOYSA-N 0 0 189.258 2.518 10 30 AFEERN C#CCC[C@H](O)[C@H]1CC(C)=C[C@H](C)C1 300011279 344961956 /nfs/dbraw/zinc/96/19/56/344961956.db2.gz INCXPOROELZDRW-UHTWSYAYSA-N 0 0 192.302 2.753 10 30 AFEERN C#CCC[C@H](O)[C@@H]1CC(C)=C[C@H](C)C1 300011277 344962164 /nfs/dbraw/zinc/96/21/64/344962164.db2.gz INCXPOROELZDRW-DRZSPHRISA-N 0 0 192.302 2.753 10 30 AFEERN C=CC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 300036822 344964669 /nfs/dbraw/zinc/96/46/69/344964669.db2.gz DGRBFJBRGZRAQL-MYJAWHEDSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 300041566 344965358 /nfs/dbraw/zinc/96/53/58/344965358.db2.gz ZEQQIYSZUFJRNW-OPRDCNLKSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 300041565 344965662 /nfs/dbraw/zinc/96/56/62/344965662.db2.gz ZEQQIYSZUFJRNW-IVZWLZJFSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)N[C@]1(C#N)CC(C)(C)C[C@H]1C 300062119 344969733 /nfs/dbraw/zinc/96/97/33/344969733.db2.gz LNUBCCJUNNLXHQ-PWSUYJOCSA-N 0 0 194.322 2.703 10 30 AFEERN CC(C)N[C@]1(C#N)CC(C)(C)C[C@@H]1C 300062118 344969971 /nfs/dbraw/zinc/96/99/71/344969971.db2.gz LNUBCCJUNNLXHQ-JQWIXIFHSA-N 0 0 194.322 2.703 10 30 AFEERN C=CC(=O)C[C@H]1CCC(F)(F)C1 300747907 344987541 /nfs/dbraw/zinc/98/75/41/344987541.db2.gz DTAZUFMGHKOVBF-SSDOTTSWSA-N 0 0 174.190 2.567 10 30 AFEERN CCC[C@H](C)N1CCCC[C@H]1C#N 300348009 344974916 /nfs/dbraw/zinc/97/49/16/344974916.db2.gz MXXKFWPVEJQKJL-QWRGUYRKSA-N 0 0 180.295 2.553 10 30 AFEERN CCC[C@@H](C)N1CCCC[C@H]1C#N 300348008 344974961 /nfs/dbraw/zinc/97/49/61/344974961.db2.gz MXXKFWPVEJQKJL-MNOVXSKESA-N 0 0 180.295 2.553 10 30 AFEERN N#C[C@H]1CCCN1CCC1CCCC1 300719022 344983428 /nfs/dbraw/zinc/98/34/28/344983428.db2.gz AQURQRNQUSCSBB-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN N#C[C@@H]1CCCN1CCC1CCCC1 300719023 344983442 /nfs/dbraw/zinc/98/34/42/344983442.db2.gz AQURQRNQUSCSBB-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN CC(C)(C)C#CC[C@H]1CCCC1=O 300727712 344983837 /nfs/dbraw/zinc/98/38/37/344983837.db2.gz DRDAGARVCOJEOH-SNVBAGLBSA-N 0 0 178.275 2.795 10 30 AFEERN CC(C)(C)C#CC[C@@H]1CCCC1=O 300727710 344984051 /nfs/dbraw/zinc/98/40/51/344984051.db2.gz DRDAGARVCOJEOH-JTQLQIEISA-N 0 0 178.275 2.795 10 30 AFEERN CC(C)(C)C#CC[C@@H]1CCC[C@@H](O)C1 300728026 344984153 /nfs/dbraw/zinc/98/41/53/344984153.db2.gz DTIHAMGCSXFZIT-NWDGAFQWSA-N 0 0 194.318 2.977 10 30 AFEERN CC(=O)C1(CC#CC(C)(C)C)CC1 300732084 344984186 /nfs/dbraw/zinc/98/41/86/344984186.db2.gz FYROJFBLCZNKMP-UHFFFAOYSA-N 0 0 178.275 2.795 10 30 AFEERN CC(C)(C)C#CC[C@H]1CCC[C@H](O)C1 300728025 344984268 /nfs/dbraw/zinc/98/42/68/344984268.db2.gz DTIHAMGCSXFZIT-NEPJUHHUSA-N 0 0 194.318 2.977 10 30 AFEERN C=C(C)C(=O)C=C=CC(C)(C)C 300729317 344984384 /nfs/dbraw/zinc/98/43/84/344984384.db2.gz FDSNADMORRXPMA-UHFFFAOYSA-N 0 0 164.248 2.571 10 30 AFEERN CC(C)(C)C#CCC(=O)C1(C)CC1 300731426 344984446 /nfs/dbraw/zinc/98/44/46/344984446.db2.gz FTRGAYFKTPWMEZ-UHFFFAOYSA-N 0 0 178.275 2.795 10 30 AFEERN CC(C)(C)C#CC[C@@H]1CCC[C@H](O)C1 300728027 344984476 /nfs/dbraw/zinc/98/44/76/344984476.db2.gz DTIHAMGCSXFZIT-RYUDHWBXSA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)(C)C#CC[C@H]1CCC[C@@H](O)C1 300728028 344984503 /nfs/dbraw/zinc/98/45/03/344984503.db2.gz DTIHAMGCSXFZIT-VXGBXAGGSA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)(C)C#CCC(=O)C(F)(F)F 300736288 344984761 /nfs/dbraw/zinc/98/47/61/344984761.db2.gz HGARRRYWGWCOMK-UHFFFAOYSA-N 0 0 192.180 2.557 10 30 AFEERN CC[C@@H](O)[C@H](C)CC#CC(C)(C)C 300733420 344984793 /nfs/dbraw/zinc/98/47/93/344984793.db2.gz GKQFEJHXNPXXQL-GHMZBOCLSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@H](O)[C@@H](C)CC#CC(C)(C)C 300733422 344984805 /nfs/dbraw/zinc/98/48/05/344984805.db2.gz GKQFEJHXNPXXQL-QWRGUYRKSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@@H](O)[C@@H](C)CC#CC(C)(C)C 300733423 344984817 /nfs/dbraw/zinc/98/48/17/344984817.db2.gz GKQFEJHXNPXXQL-WDEREUQCSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@H](O)[C@H](C)CC#CC(C)(C)C 300733421 344984847 /nfs/dbraw/zinc/98/48/47/344984847.db2.gz GKQFEJHXNPXXQL-MNOVXSKESA-N 0 0 182.307 2.833 10 30 AFEERN CC(C)(C)C#CC[C@@H]1CCC(=O)C1 300734552 344984916 /nfs/dbraw/zinc/98/49/16/344984916.db2.gz GUSMGYXBQNLDMK-SNVBAGLBSA-N 0 0 178.275 2.795 10 30 AFEERN CC(C)(C)C#CC[C@H]1CCC(=O)C1 300734549 344985059 /nfs/dbraw/zinc/98/50/59/344985059.db2.gz GUSMGYXBQNLDMK-JTQLQIEISA-N 0 0 178.275 2.795 10 30 AFEERN CC(C)=CC(=O)C=C=CC(C)(C)C 300740704 344985221 /nfs/dbraw/zinc/98/52/21/344985221.db2.gz IICHQHJVLSAZFQ-UHFFFAOYSA-N 0 0 178.275 2.961 10 30 AFEERN CC(C)(C)C#CCC1=C[C@H](O)CCC1 300744695 344986382 /nfs/dbraw/zinc/98/63/82/344986382.db2.gz JFEGLIMNLJSXRF-GFCCVEGCSA-N 0 0 192.302 2.897 10 30 AFEERN CC(C)(C)C#CCC1=C[C@@H](O)CCC1 300744696 344986468 /nfs/dbraw/zinc/98/64/68/344986468.db2.gz JFEGLIMNLJSXRF-LBPRGKRZSA-N 0 0 192.302 2.897 10 30 AFEERN CC[C@@H](CC#CC(C)(C)C)[C@H](C)O 300745732 344986852 /nfs/dbraw/zinc/98/68/52/344986852.db2.gz JLHQMVUFQCOLBG-QWRGUYRKSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@H](CC#CC(C)(C)C)[C@@H](C)O 300745730 344987025 /nfs/dbraw/zinc/98/70/25/344987025.db2.gz JLHQMVUFQCOLBG-GHMZBOCLSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@@H](CC#CC(C)(C)C)[C@@H](C)O 300745731 344987070 /nfs/dbraw/zinc/98/70/70/344987070.db2.gz JLHQMVUFQCOLBG-MNOVXSKESA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@H](CC#CC(C)(C)C)[C@H](C)O 300745733 344987201 /nfs/dbraw/zinc/98/72/01/344987201.db2.gz JLHQMVUFQCOLBG-WDEREUQCSA-N 0 0 182.307 2.833 10 30 AFEERN C=CC(=O)C[C@@H]1CCC(F)(F)C1 300747909 344987347 /nfs/dbraw/zinc/98/73/47/344987347.db2.gz DTAZUFMGHKOVBF-ZETCQYMHSA-N 0 0 174.190 2.567 10 30 AFEERN CC(C)(C)C#CCC1=C[C@H](O)CC1 300747488 344987575 /nfs/dbraw/zinc/98/75/75/344987575.db2.gz JWLXCIUFECRGGJ-LLVKDONJSA-N 0 0 178.275 2.507 10 30 AFEERN CC(C)(C)C#CCC1=C[C@@H](O)CC1 300747489 344987617 /nfs/dbraw/zinc/98/76/17/344987617.db2.gz JWLXCIUFECRGGJ-NSHDSACASA-N 0 0 178.275 2.507 10 30 AFEERN CC(C)(C)C#CCC(=O)C1CCC1 300749926 344988163 /nfs/dbraw/zinc/98/81/63/344988163.db2.gz KTVABHBSNRORAU-UHFFFAOYSA-N 0 0 178.275 2.795 10 30 AFEERN CC(C)(C)C#CC[C@@H](O)c1ccco1 300752821 344989068 /nfs/dbraw/zinc/98/90/68/344989068.db2.gz LQPUDUOESSSURZ-SNVBAGLBSA-N 0 0 192.258 2.753 10 30 AFEERN CC(C)(C)C#CC[C@H](O)c1ccco1 300752820 344989172 /nfs/dbraw/zinc/98/91/72/344989172.db2.gz LQPUDUOESSSURZ-JTQLQIEISA-N 0 0 192.258 2.753 10 30 AFEERN CC[C@H](C)[C@@H](O)CC#CC(C)(C)C 300754098 344989452 /nfs/dbraw/zinc/98/94/52/344989452.db2.gz LZDRLHWEAUSVOK-QWRGUYRKSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@@H](C)[C@H](O)CC#CC(C)(C)C 300754095 344989455 /nfs/dbraw/zinc/98/94/55/344989455.db2.gz LZDRLHWEAUSVOK-GHMZBOCLSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@H](C)[C@H](O)CC#CC(C)(C)C 300754100 344989502 /nfs/dbraw/zinc/98/95/02/344989502.db2.gz LZDRLHWEAUSVOK-WDEREUQCSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@@H](C)[C@@H](O)CC#CC(C)(C)C 300754096 344989725 /nfs/dbraw/zinc/98/97/25/344989725.db2.gz LZDRLHWEAUSVOK-MNOVXSKESA-N 0 0 182.307 2.833 10 30 AFEERN FC1(F)CCC[C@H](CS)C1 300758223 344990703 /nfs/dbraw/zinc/99/07/03/344990703.db2.gz LAMNANLWPDVQJI-LURJTMIESA-N 0 0 166.236 2.742 10 30 AFEERN FC1(F)CCC[C@@H](CS)C1 300758225 344990751 /nfs/dbraw/zinc/99/07/51/344990751.db2.gz LAMNANLWPDVQJI-ZCFIWIBFSA-N 0 0 166.236 2.742 10 30 AFEERN C=C(C)CNc1cc(OC)ccc1C 300764538 344992360 /nfs/dbraw/zinc/99/23/60/344992360.db2.gz PLFBEGSHVNHKEC-UHFFFAOYSA-N 0 0 191.274 2.992 10 30 AFEERN C#CCNc1ccc(C)c(CC)c1 300765553 344992976 /nfs/dbraw/zinc/99/29/76/344992976.db2.gz DIJWGKBEJOQMPP-UHFFFAOYSA-N 0 0 173.259 2.603 10 30 AFEERN CC(=O)CCCC#CC(C)(C)C 300768760 344994347 /nfs/dbraw/zinc/99/43/47/344994347.db2.gz PGBCKMHPDLBTEN-UHFFFAOYSA-N 0 0 166.264 2.795 10 30 AFEERN CC#CCCNc1cccc(C)c1F 300774039 344995667 /nfs/dbraw/zinc/99/56/67/344995667.db2.gz KMGNXOMMVIDACI-UHFFFAOYSA-N 0 0 191.249 2.959 10 30 AFEERN [N-]=[N+]=Nc1cncc(Br)c1 300775487 344995750 /nfs/dbraw/zinc/99/57/50/344995750.db2.gz SKFWXAKDLWYXQO-UHFFFAOYSA-N 0 0 199.011 2.786 10 30 AFEERN C[C@H](C1CC1)[C@H](O)CC#CC(C)(C)C 300777277 344996005 /nfs/dbraw/zinc/99/60/05/344996005.db2.gz QWRKOVNIXVZTNW-ZYHUDNBSSA-N 0 0 194.318 2.833 10 30 AFEERN C[C@@H](C1CC1)[C@H](O)CC#CC(C)(C)C 300777267 344996102 /nfs/dbraw/zinc/99/61/02/344996102.db2.gz QWRKOVNIXVZTNW-CMPLNLGQSA-N 0 0 194.318 2.833 10 30 AFEERN C[C@H](C1CC1)[C@@H](O)CC#CC(C)(C)C 300777274 344996186 /nfs/dbraw/zinc/99/61/86/344996186.db2.gz QWRKOVNIXVZTNW-PWSUYJOCSA-N 0 0 194.318 2.833 10 30 AFEERN C[C@@H](C1CC1)[C@@H](O)CC#CC(C)(C)C 300777271 344996213 /nfs/dbraw/zinc/99/62/13/344996213.db2.gz QWRKOVNIXVZTNW-JQWIXIFHSA-N 0 0 194.318 2.833 10 30 AFEERN C=CC(=O)[C@@H]1CCCC(F)(F)C1 300782938 344996960 /nfs/dbraw/zinc/99/69/60/344996960.db2.gz VNVFXHOYOXDFPW-SSDOTTSWSA-N 0 0 174.190 2.567 10 30 AFEERN C=CC(=O)[C@H]1CCCC(F)(F)C1 300782941 344997099 /nfs/dbraw/zinc/99/70/99/344997099.db2.gz VNVFXHOYOXDFPW-ZETCQYMHSA-N 0 0 174.190 2.567 10 30 AFEERN CC(C)(C)CCCn1ccnc1C#N 300786697 344997524 /nfs/dbraw/zinc/99/75/24/344997524.db2.gz XZOQSQJYZAIIKB-UHFFFAOYSA-N 0 0 191.278 2.581 10 30 AFEERN C=C(C)C(=O)[C@H]1CCC(F)(F)C1 300789961 344998192 /nfs/dbraw/zinc/99/81/92/344998192.db2.gz XOIAMKWFHYLPOB-ZETCQYMHSA-N 0 0 174.190 2.567 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCC(F)(F)C1 300789958 344998367 /nfs/dbraw/zinc/99/83/67/344998367.db2.gz XOIAMKWFHYLPOB-SSDOTTSWSA-N 0 0 174.190 2.567 10 30 AFEERN CC(C)(C)C#CCC1=CC(=O)CC1 300788891 344998430 /nfs/dbraw/zinc/99/84/30/344998430.db2.gz STNBPDZKYOPJSJ-UHFFFAOYSA-N 0 0 176.259 2.715 10 30 AFEERN CC(C)C[C@H](O)CC#CC(C)(C)C 300794853 344999388 /nfs/dbraw/zinc/99/93/88/344999388.db2.gz UNNZTZKNBDHTJF-LLVKDONJSA-N 0 0 182.307 2.833 10 30 AFEERN N#CC[C@H](O)C1CCCCCCC1 300794453 344999427 /nfs/dbraw/zinc/99/94/27/344999427.db2.gz CPINVUXSASHMHQ-NSHDSACASA-N 0 0 181.279 2.621 10 30 AFEERN CC(C)C[C@@H](O)CC#CC(C)(C)C 300794854 344999455 /nfs/dbraw/zinc/99/94/55/344999455.db2.gz UNNZTZKNBDHTJF-NSHDSACASA-N 0 0 182.307 2.833 10 30 AFEERN CC(C)(C)C#CCOc1cccnc1 300801099 344999916 /nfs/dbraw/zinc/99/99/16/344999916.db2.gz VKEBOJJXGJOHEK-UHFFFAOYSA-N 0 0 189.258 2.510 10 30 AFEERN CC(=O)[C@H](C)CC#CC(C)(C)C 300799506 344999940 /nfs/dbraw/zinc/99/99/40/344999940.db2.gz VEWWKVLVKKODLS-SECBINFHSA-N 0 0 166.264 2.651 10 30 AFEERN CC(=O)[C@@H](C)CC#CC(C)(C)C 300799507 344999947 /nfs/dbraw/zinc/99/99/47/344999947.db2.gz VEWWKVLVKKODLS-VIFPVBQESA-N 0 0 166.264 2.651 10 30 AFEERN CC(C)(C)C#CC[C@]1(C)CC[C@@H](O)C1 300808044 345000487 /nfs/dbraw/zinc/00/04/87/345000487.db2.gz WVFKVPAKCUJNJB-DGCLKSJQSA-N 0 0 194.318 2.977 10 30 AFEERN C[C@H]1C[C@H]1C(=O)CC#CC(C)(C)C 300805147 345000505 /nfs/dbraw/zinc/00/05/05/345000505.db2.gz WFUTULYZTYQKPK-VHSXEESVSA-N 0 0 178.275 2.651 10 30 AFEERN CC(C)(C)C#CC[C@@]1(C)CC[C@@H](O)C1 300808046 345000532 /nfs/dbraw/zinc/00/05/32/345000532.db2.gz WVFKVPAKCUJNJB-YPMHNXCESA-N 0 0 194.318 2.977 10 30 AFEERN C[C@H]1C[C@@H]1C(=O)CC#CC(C)(C)C 300805146 345000657 /nfs/dbraw/zinc/00/06/57/345000657.db2.gz WFUTULYZTYQKPK-UWVGGRQHSA-N 0 0 178.275 2.651 10 30 AFEERN CC(C)(C)C#CC[C@H](O)C1CCC1 300806376 345000670 /nfs/dbraw/zinc/00/06/70/345000670.db2.gz WLRFGVUPMIJVDZ-NSHDSACASA-N 0 0 180.291 2.587 10 30 AFEERN C[C@@H]1C[C@@H]1C(=O)CC#CC(C)(C)C 300805148 345000673 /nfs/dbraw/zinc/00/06/73/345000673.db2.gz WFUTULYZTYQKPK-ZJUUUORDSA-N 0 0 178.275 2.651 10 30 AFEERN CC(C)(C)C#CC[C@@H](O)C1CCC1 300806374 345000685 /nfs/dbraw/zinc/00/06/85/345000685.db2.gz WLRFGVUPMIJVDZ-LLVKDONJSA-N 0 0 180.291 2.587 10 30 AFEERN CC(C)(C)C#CC[C@]1(C)CC[C@H](O)C1 300808045 345000690 /nfs/dbraw/zinc/00/06/90/345000690.db2.gz WVFKVPAKCUJNJB-WCQYABFASA-N 0 0 194.318 2.977 10 30 AFEERN C[C@@H]1C[C@H]1C(=O)CC#CC(C)(C)C 300805145 345000705 /nfs/dbraw/zinc/00/07/05/345000705.db2.gz WFUTULYZTYQKPK-NXEZZACHSA-N 0 0 178.275 2.651 10 30 AFEERN CC(C)(C)C#CC[C@@]1(C)CC[C@H](O)C1 300808043 345000772 /nfs/dbraw/zinc/00/07/72/345000772.db2.gz WVFKVPAKCUJNJB-AAEUAGOBSA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)C(=O)CC#CC(C)(C)C 300823052 345002531 /nfs/dbraw/zinc/00/25/31/345002531.db2.gz ZLWDYOYOLHVSPJ-UHFFFAOYSA-N 0 0 166.264 2.651 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCCC(F)(F)C1 300866537 345007565 /nfs/dbraw/zinc/00/75/65/345007565.db2.gz JKSRQVZRFJDUGS-MRVPVSSYSA-N 0 0 188.217 2.957 10 30 AFEERN C=C(C)C(=O)[C@H]1CCCC(F)(F)C1 300866541 345007628 /nfs/dbraw/zinc/00/76/28/345007628.db2.gz JKSRQVZRFJDUGS-QMMMGPOBSA-N 0 0 188.217 2.957 10 30 AFEERN Cc1cccc(N[C@H](C)C#N)c1Cl 300881582 345008529 /nfs/dbraw/zinc/00/85/29/345008529.db2.gz MVOKYYLBKPPHNY-MRVPVSSYSA-N 0 0 194.665 2.972 10 30 AFEERN Cc1cccc(N[C@@H](C)C#N)c1Cl 300881583 345008792 /nfs/dbraw/zinc/00/87/92/345008792.db2.gz MVOKYYLBKPPHNY-QMMMGPOBSA-N 0 0 194.665 2.972 10 30 AFEERN Cc1cccc(NC[C@H](C)C#N)c1F 300889352 345009172 /nfs/dbraw/zinc/00/91/72/345009172.db2.gz BGFAXJJDTHCLMG-MRVPVSSYSA-N 0 0 192.237 2.706 10 30 AFEERN Cc1cccc(NC[C@@H](C)C#N)c1F 300889353 345009368 /nfs/dbraw/zinc/00/93/68/345009368.db2.gz BGFAXJJDTHCLMG-QMMMGPOBSA-N 0 0 192.237 2.706 10 30 AFEERN C#C[C@@H](C)Nc1ccc(CC)c(C)c1 300889627 345009804 /nfs/dbraw/zinc/00/98/04/345009804.db2.gz OHLRZQFEOLOBTF-LLVKDONJSA-N 0 0 187.286 2.991 10 30 AFEERN C#C[C@H](C)Nc1ccc(CC)c(C)c1 300889631 345009827 /nfs/dbraw/zinc/00/98/27/345009827.db2.gz OHLRZQFEOLOBTF-NSHDSACASA-N 0 0 187.286 2.991 10 30 AFEERN Cc1ccc2ccc(C#N)nc2c1F 300899241 345010349 /nfs/dbraw/zinc/01/03/49/345010349.db2.gz CPSWDLCQXOCGTK-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN Cc1cccc(NCCC#N)c1Cl 300906991 345011956 /nfs/dbraw/zinc/01/19/56/345011956.db2.gz RCCBXVRTYYOBKI-UHFFFAOYSA-N 0 0 194.665 2.974 10 30 AFEERN C[C@@H](C#N)[C@H](O)C1CCCCCCC1 300910425 345012434 /nfs/dbraw/zinc/01/24/34/345012434.db2.gz XQONRNUHPYOAAB-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H](C#N)[C@@H](O)C1CCCCCCC1 300910422 345012439 /nfs/dbraw/zinc/01/24/39/345012439.db2.gz XQONRNUHPYOAAB-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H](C#N)[C@H](O)C1CCCCCCC1 300910427 345012505 /nfs/dbraw/zinc/01/25/05/345012505.db2.gz XQONRNUHPYOAAB-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H](C#N)[C@@H](O)C1CCCCCCC1 300910429 345012553 /nfs/dbraw/zinc/01/25/53/345012553.db2.gz XQONRNUHPYOAAB-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@@H](C)Nc1ccc2c(c1)COC2 300923242 345013856 /nfs/dbraw/zinc/01/38/56/345013856.db2.gz ZQPLZEHNHFBJTN-SECBINFHSA-N 0 0 189.258 2.703 10 30 AFEERN CC(C)=CC(=O)[C@H]1CCC(F)(F)C1 300968825 345019853 /nfs/dbraw/zinc/01/98/53/345019853.db2.gz WPPBSIZXPLKEET-QMMMGPOBSA-N 0 0 188.217 2.957 10 30 AFEERN C#C[C@@H](Nc1nc(C)cs1)C(C)C 300967657 345019860 /nfs/dbraw/zinc/01/98/60/345019860.db2.gz RRTYQAZPOIKCDA-SECBINFHSA-N 0 0 194.303 2.521 10 30 AFEERN C#C[C@H](Nc1nc(C)cs1)C(C)C 300967659 345019900 /nfs/dbraw/zinc/01/99/00/345019900.db2.gz RRTYQAZPOIKCDA-VIFPVBQESA-N 0 0 194.303 2.521 10 30 AFEERN C#C[C@H](C)Nc1cccc(C)c1F 301005463 345024470 /nfs/dbraw/zinc/02/44/70/345024470.db2.gz YXIFXKHBNWEDEY-VIFPVBQESA-N 0 0 177.222 2.568 10 30 AFEERN C#C[C@@H](C)Nc1cccc(C)c1F 301005461 345024591 /nfs/dbraw/zinc/02/45/91/345024591.db2.gz YXIFXKHBNWEDEY-SECBINFHSA-N 0 0 177.222 2.568 10 30 AFEERN C[C@H]1CCC[C@@H](SC[C@H]2CO2)C1 301051428 345034533 /nfs/dbraw/zinc/03/45/33/345034533.db2.gz UMUDDFZLYAANPQ-IVZWLZJFSA-N 0 0 186.320 2.697 10 30 AFEERN C[C@H]1CCC[C@H](SC[C@H]2CO2)C1 301051427 345034638 /nfs/dbraw/zinc/03/46/38/345034638.db2.gz UMUDDFZLYAANPQ-AEJSXWLSSA-N 0 0 186.320 2.697 10 30 AFEERN CC(C)[C@H](O)C[C@@]1(C#N)CC[C@@H](C)C1 306149899 345039088 /nfs/dbraw/zinc/03/90/88/345039088.db2.gz CDWPRNXBACZLBA-IJLUTSLNSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)[C@H](O)C[C@]1(C#N)CC[C@@H](C)C1 306149904 345039128 /nfs/dbraw/zinc/03/91/28/345039128.db2.gz CDWPRNXBACZLBA-UTUOFQBUSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)[C@@H](O)C[C@@]1(C#N)CC[C@@H](C)C1 306149894 345039146 /nfs/dbraw/zinc/03/91/46/345039146.db2.gz CDWPRNXBACZLBA-GRYCIOLGSA-N 0 0 195.306 2.723 10 30 AFEERN C#CCCNc1ccsc1Cl 306151257 345040902 /nfs/dbraw/zinc/04/09/02/345040902.db2.gz AOLGVXXECAJSOM-UHFFFAOYSA-N 0 0 185.679 2.837 10 30 AFEERN C[C@@]1(C=O)CC[C@@H](c2cccs2)O1 306151619 345041357 /nfs/dbraw/zinc/04/13/57/345041357.db2.gz HOFRUPHXSFTMSX-WPRPVWTQSA-N 0 0 196.271 2.557 10 30 AFEERN C[C@]1(C=O)CC[C@@H](c2cccs2)O1 306151618 345041559 /nfs/dbraw/zinc/04/15/59/345041559.db2.gz HOFRUPHXSFTMSX-WCBMZHEXSA-N 0 0 196.271 2.557 10 30 AFEERN C[C@@]1(C=O)CC[C@H](c2cccs2)O1 306151617 345041646 /nfs/dbraw/zinc/04/16/46/345041646.db2.gz HOFRUPHXSFTMSX-SCZZXKLOSA-N 0 0 196.271 2.557 10 30 AFEERN C[C@@H]1CC[C@@](C#N)(c2ccncc2)C1 306152650 345043264 /nfs/dbraw/zinc/04/32/64/345043264.db2.gz AKPKKFVRFPZISF-ZYHUDNBSSA-N 0 0 186.258 2.663 10 30 AFEERN C[C@H]1CC[C@](C#N)(c2ccncc2)C1 306152645 345043266 /nfs/dbraw/zinc/04/32/66/345043266.db2.gz AKPKKFVRFPZISF-JQWIXIFHSA-N 0 0 186.258 2.663 10 30 AFEERN C[C@@H]([C@@H](O)C(C)(C)C#N)C(C)(C)C 306153039 345043723 /nfs/dbraw/zinc/04/37/23/345043723.db2.gz HGQJBJHBSQBHNQ-DTWKUNHWSA-N 0 0 183.295 2.579 10 30 AFEERN SCc1nc(Cl)ccc1Cl 306153088 345043789 /nfs/dbraw/zinc/04/37/89/345043789.db2.gz CXVVMBLTQHHVOT-UHFFFAOYSA-N 0 0 194.086 2.818 10 30 AFEERN C[C@H]([C@@H](O)C(C)(C)C#N)C(C)(C)C 306153044 345043828 /nfs/dbraw/zinc/04/38/28/345043828.db2.gz HGQJBJHBSQBHNQ-RKDXNWHRSA-N 0 0 183.295 2.579 10 30 AFEERN C=C(CC)CNc1ccc(C)cc1N 306154845 345045859 /nfs/dbraw/zinc/04/58/59/345045859.db2.gz BLUURZVYYKGSHY-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN CC1(CN2CCC[C@H]2C#N)CCCC1 306157217 345047838 /nfs/dbraw/zinc/04/78/38/345047838.db2.gz JNFFVXPSIFNTCE-NSHDSACASA-N 0 0 192.306 2.555 10 30 AFEERN CC1(CN2CCC[C@@H]2C#N)CCCC1 306157215 345047779 /nfs/dbraw/zinc/04/77/79/345047779.db2.gz JNFFVXPSIFNTCE-LLVKDONJSA-N 0 0 192.306 2.555 10 30 AFEERN CC(C)[C@@]1(C#N)CCC(C)(C)C1=O 306159641 345050038 /nfs/dbraw/zinc/05/00/38/345050038.db2.gz LNRBRLZQTDUUHW-NSHDSACASA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)[C@]1(C#N)CCC(C)(C)C1=O 306159631 345050053 /nfs/dbraw/zinc/05/00/53/345050053.db2.gz LNRBRLZQTDUUHW-LLVKDONJSA-N 0 0 179.263 2.541 10 30 AFEERN C=C(CC)CNc1ccc(C)cn1 306159608 345050066 /nfs/dbraw/zinc/05/00/66/345050066.db2.gz FJUNDMLNZGWHLO-UHFFFAOYSA-N 0 0 176.263 2.768 10 30 AFEERN CC(C)(C#N)CCc1cccnc1 306162399 345053941 /nfs/dbraw/zinc/05/39/41/345053941.db2.gz NTKIDVLTESLKJT-UHFFFAOYSA-N 0 0 174.247 2.564 10 30 AFEERN CC(C)CN=Nc1ccc(Cl)nc1 306163249 345054379 /nfs/dbraw/zinc/05/43/79/345054379.db2.gz RJUFTLFUEHHIMQ-LFYBBSHMSA-N 0 0 197.669 2.789 10 30 AFEERN CC#CC[C@H](O)[C@H]1CC[C@H](CC)CC1 306162724 345054474 /nfs/dbraw/zinc/05/44/74/345054474.db2.gz WSKGFDDVJXAZNO-AVGNSLFASA-N 0 0 194.318 2.977 10 30 AFEERN C=CCSCCCCF 306163640 345054908 /nfs/dbraw/zinc/05/49/08/345054908.db2.gz HQEVWNZIHMWVBR-UHFFFAOYSA-N 0 0 148.246 2.655 10 30 AFEERN C=CC(=O)C(C)(C)C(C)(C)C 306164510 345055779 /nfs/dbraw/zinc/05/57/79/345055779.db2.gz BNMOAYXVICMUFI-UHFFFAOYSA-N 0 0 154.253 2.814 10 30 AFEERN N#CC1(CCCO)CCCCCC1 306165272 345056508 /nfs/dbraw/zinc/05/65/08/345056508.db2.gz OWMQCGRRCJOJLX-UHFFFAOYSA-N 0 0 181.279 2.623 10 30 AFEERN CC(C)[C@@]1(C)CCC[C@@H](CC#N)O1 306167004 345057667 /nfs/dbraw/zinc/05/76/67/345057667.db2.gz VBTWIMQQOSEQCB-WDEREUQCSA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)[C@]1(C)CCC[C@@H](CC#N)O1 306167002 345057695 /nfs/dbraw/zinc/05/76/95/345057695.db2.gz VBTWIMQQOSEQCB-QWRGUYRKSA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)[C@@]1(C)CCC[C@H](CC#N)O1 306166995 345057707 /nfs/dbraw/zinc/05/77/07/345057707.db2.gz VBTWIMQQOSEQCB-GHMZBOCLSA-N 0 0 181.279 2.884 10 30 AFEERN C=C(C)C(=O)c1cccc(F)c1C 306166790 345057832 /nfs/dbraw/zinc/05/78/32/345057832.db2.gz IVHYPLDCOKXHAR-UHFFFAOYSA-N 0 0 178.206 2.893 10 30 AFEERN CC(C)=CC(=O)c1ccccc1C#N 306171392 345063450 /nfs/dbraw/zinc/06/34/50/345063450.db2.gz AWFMRBORCDXFFH-UHFFFAOYSA-N 0 0 185.226 2.707 10 30 AFEERN C[C@H]1CC(=O)C=C(c2ccoc2)C1 306175353 345065782 /nfs/dbraw/zinc/06/57/82/345065782.db2.gz MTSUAMNJPNOXKJ-MRVPVSSYSA-N 0 0 176.215 2.662 10 30 AFEERN C[C@@H]1CC(=O)C=C(c2ccoc2)C1 306175356 345065818 /nfs/dbraw/zinc/06/58/18/345065818.db2.gz MTSUAMNJPNOXKJ-QMMMGPOBSA-N 0 0 176.215 2.662 10 30 AFEERN O=C1CCC=C1c1ccccc1F 306175641 345066073 /nfs/dbraw/zinc/06/60/73/345066073.db2.gz XEIGTKNETXDXGJ-UHFFFAOYSA-N 0 0 176.190 2.572 10 30 AFEERN Cc1cc(CC2=CC(=O)CC2)cs1 306175300 345066176 /nfs/dbraw/zinc/06/61/76/345066176.db2.gz MRJZPWMDARLSQE-UHFFFAOYSA-N 0 0 192.283 2.888 10 30 AFEERN C=C(CC)CNc1cccc(N)c1C 306175667 345066789 /nfs/dbraw/zinc/06/67/89/345066789.db2.gz MYXGBKTVTBZDOT-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C[C@H](O)CCC1(C#N)CCCCC1 306177290 345067629 /nfs/dbraw/zinc/06/76/29/345067629.db2.gz XLLPAEQVGKNFHA-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN CCCNc1cccc(CC#N)c1 306177195 345067767 /nfs/dbraw/zinc/06/77/67/345067767.db2.gz ONOIULKYRKLLLP-UHFFFAOYSA-N 0 0 174.247 2.575 10 30 AFEERN N#Cc1ccc(NCC2CCC2)s1 306178505 345069565 /nfs/dbraw/zinc/06/95/65/345069565.db2.gz PUNGBQVVXHGDMG-UHFFFAOYSA-N 0 0 192.287 2.832 10 30 AFEERN C[C@@]1(C=O)CC[C@@](C)(C2CCCC2)O1 306178929 345070008 /nfs/dbraw/zinc/07/00/08/345070008.db2.gz HVSJRHNMWCSROK-RYUDHWBXSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@]1(C=O)CC[C@](C)(C2CCCC2)O1 306178931 345070013 /nfs/dbraw/zinc/07/00/13/345070013.db2.gz HVSJRHNMWCSROK-VXGBXAGGSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@@]1(C2CCCC2)CC[C@](C)(C=O)O1 306178927 345070055 /nfs/dbraw/zinc/07/00/55/345070055.db2.gz HVSJRHNMWCSROK-NEPJUHHUSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@@]1(C=O)CC[C@](C)(C2CCCC2)O1 306178928 345070073 /nfs/dbraw/zinc/07/00/73/345070073.db2.gz HVSJRHNMWCSROK-NWDGAFQWSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@@]1(C=O)CC[C@](C)(CC2CCC2)O1 306178917 345070099 /nfs/dbraw/zinc/07/00/99/345070099.db2.gz HUNDLLJDJWLTHB-NEPJUHHUSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@]1(C=O)CC[C@](C)(CC2CCC2)O1 306178921 345070101 /nfs/dbraw/zinc/07/01/01/345070101.db2.gz HUNDLLJDJWLTHB-VXGBXAGGSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@@]1(CC2CCC2)CC[C@](C)(C=O)O1 306178918 345070131 /nfs/dbraw/zinc/07/01/31/345070131.db2.gz HUNDLLJDJWLTHB-NWDGAFQWSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@@]1(C=O)CC[C@@](C)(CC2CCC2)O1 306178920 345070253 /nfs/dbraw/zinc/07/02/53/345070253.db2.gz HUNDLLJDJWLTHB-RYUDHWBXSA-N 0 0 196.290 2.703 10 30 AFEERN O=C[C@H]1CC[C@H](C2CCCCCC2)O1 306179917 345071289 /nfs/dbraw/zinc/07/12/89/345071289.db2.gz IXXRIMUUDMCDFC-VXGBXAGGSA-N 0 0 196.290 2.703 10 30 AFEERN C=C[C@@H](C)Nc1cccc(CC#N)c1 306179777 345071332 /nfs/dbraw/zinc/07/13/32/345071332.db2.gz REFDWGDWECIZII-SNVBAGLBSA-N 0 0 186.258 2.739 10 30 AFEERN O=C[C@H]1CC[C@@H](C2CCCCCC2)O1 306179914 345071389 /nfs/dbraw/zinc/07/13/89/345071389.db2.gz IXXRIMUUDMCDFC-NEPJUHHUSA-N 0 0 196.290 2.703 10 30 AFEERN C=C[C@H](C)Nc1cccc(CC#N)c1 306179776 345071561 /nfs/dbraw/zinc/07/15/61/345071561.db2.gz REFDWGDWECIZII-JTQLQIEISA-N 0 0 186.258 2.739 10 30 AFEERN O=C[C@@H]1CC[C@@H](C2CCCCCC2)O1 306179916 345071620 /nfs/dbraw/zinc/07/16/20/345071620.db2.gz IXXRIMUUDMCDFC-RYUDHWBXSA-N 0 0 196.290 2.703 10 30 AFEERN O=C[C@@H]1CC[C@H](C2CCCCCC2)O1 306179915 345071625 /nfs/dbraw/zinc/07/16/25/345071625.db2.gz IXXRIMUUDMCDFC-NWDGAFQWSA-N 0 0 196.290 2.703 10 30 AFEERN CON=C1CC(c2ccccc2)C1 306182891 345074157 /nfs/dbraw/zinc/07/41/57/345074157.db2.gz APWJADNXIXQIOK-UHFFFAOYSA-N 0 0 175.231 2.566 10 30 AFEERN Cc1ccc(C2=CCCC2=O)s1 306183726 345074705 /nfs/dbraw/zinc/07/47/05/345074705.db2.gz BTPUTEXAASIMIZ-UHFFFAOYSA-N 0 0 178.256 2.803 10 30 AFEERN CC#CCSCc1ccco1 306185403 345075675 /nfs/dbraw/zinc/07/56/75/345075675.db2.gz ACJGUMBKPKSTEJ-UHFFFAOYSA-N 0 0 166.245 2.536 10 30 AFEERN C=CC(=O)C(C)(C)C1CCC1 306184441 345075717 /nfs/dbraw/zinc/07/57/17/345075717.db2.gz PKDDSNCLJNMOJB-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN O=C[C@@]1(CC2CCCCC2)CCOC1 306185989 345076134 /nfs/dbraw/zinc/07/61/34/345076134.db2.gz AZQYYMQYFDBTBJ-LBPRGKRZSA-N 0 0 196.290 2.562 10 30 AFEERN C[C@H]1CC[C@@H](CC2(C=O)CCCC2)O1 306185892 345076195 /nfs/dbraw/zinc/07/61/95/345076195.db2.gz ASTDOMVUKUXGBN-QWRGUYRKSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@@H]1CC[C@@H](CC2(C=O)CCCC2)O1 306185889 345076219 /nfs/dbraw/zinc/07/62/19/345076219.db2.gz ASTDOMVUKUXGBN-MNOVXSKESA-N 0 0 196.290 2.703 10 30 AFEERN C[C@@H]1CC[C@H](CC2(C=O)CCCC2)O1 306185888 345076262 /nfs/dbraw/zinc/07/62/62/345076262.db2.gz ASTDOMVUKUXGBN-GHMZBOCLSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@H]1CC[C@H](CC2(C=O)CCCC2)O1 306185894 345076266 /nfs/dbraw/zinc/07/62/66/345076266.db2.gz ASTDOMVUKUXGBN-WDEREUQCSA-N 0 0 196.290 2.703 10 30 AFEERN O=C[C@]1(CC2CCCCC2)CCOC1 306185988 345076284 /nfs/dbraw/zinc/07/62/84/345076284.db2.gz AZQYYMQYFDBTBJ-GFCCVEGCSA-N 0 0 196.290 2.562 10 30 AFEERN CCC1(C)CCC(=NOC)CC1 306187101 345077195 /nfs/dbraw/zinc/07/71/95/345077195.db2.gz AEVOTEDDLSOCLU-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN C#CCNc1ccc(/C=C/C)cc1 306187021 345077262 /nfs/dbraw/zinc/07/72/62/345077262.db2.gz NOABBYPJJDBDIM-HWKANZROSA-N 0 0 171.243 2.765 10 30 AFEERN CCc1cc(CC)nc(N=[N+]=[N-])n1 306187692 345078104 /nfs/dbraw/zinc/07/81/04/345078104.db2.gz DGYPNQUSRSEQLV-UHFFFAOYSA-N 0 0 177.211 2.543 10 30 AFEERN C=CC(=O)C[C@@H]1CCC[C@@H](C)C1 306187945 345078343 /nfs/dbraw/zinc/07/83/43/345078343.db2.gz BLTDNNMGJVVFAU-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=O)C[C@H]1CCC[C@H](C)C1 306187947 345078504 /nfs/dbraw/zinc/07/85/04/345078504.db2.gz BLTDNNMGJVVFAU-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=O)C[C@@H]1CCC[C@H](C)C1 306187949 345078507 /nfs/dbraw/zinc/07/85/07/345078507.db2.gz BLTDNNMGJVVFAU-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=O)C[C@H]1CCC[C@@H](C)C1 306187951 345078662 /nfs/dbraw/zinc/07/86/62/345078662.db2.gz BLTDNNMGJVVFAU-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)c1cccc(F)c1OC 306189456 345079682 /nfs/dbraw/zinc/07/96/82/345079682.db2.gz VKTRCHDIHMIYES-HWKANZROSA-N 0 0 194.205 2.593 10 30 AFEERN C=C(C)[C@@](C)(O)c1cccc(C)c1 306190324 345080049 /nfs/dbraw/zinc/08/00/49/345080049.db2.gz GKGXSVPOPBHSSF-GFCCVEGCSA-N 0 0 176.259 2.779 10 30 AFEERN C=C(C)[C@](C)(O)c1cccc(C)c1 306190325 345080238 /nfs/dbraw/zinc/08/02/38/345080238.db2.gz GKGXSVPOPBHSSF-LBPRGKRZSA-N 0 0 176.259 2.779 10 30 AFEERN CCC[C@H](C)[C@@]1(C#N)CCCC1=O 306190882 345080621 /nfs/dbraw/zinc/08/06/21/345080621.db2.gz GYKDHASNKLCIIC-ONGXEEELSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@@H](C)[C@@]1(C#N)CCCC1=O 306190880 345080751 /nfs/dbraw/zinc/08/07/51/345080751.db2.gz GYKDHASNKLCIIC-KOLCDFICSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@H](C)[C@]1(C#N)CCCC1=O 306190879 345080892 /nfs/dbraw/zinc/08/08/92/345080892.db2.gz GYKDHASNKLCIIC-GXSJLCMTSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@@H](C)[C@]1(C#N)CCCC1=O 306190881 345080936 /nfs/dbraw/zinc/08/09/36/345080936.db2.gz GYKDHASNKLCIIC-MWLCHTKSSA-N 0 0 179.263 2.686 10 30 AFEERN C=CCN1CCc2c(C)cccc21 306191281 345081467 /nfs/dbraw/zinc/08/14/67/345081467.db2.gz FZVZDQWDWRGUIY-UHFFFAOYSA-N 0 0 173.259 2.544 10 30 AFEERN CC(C)(C)C#CCC(=O)C(C)(C)F 306192223 345082590 /nfs/dbraw/zinc/08/25/90/345082590.db2.gz IZMZHFSXHPGZCH-UHFFFAOYSA-N 0 0 184.254 2.743 10 30 AFEERN CC[C@@](C)(C#N)c1ccc(Cl)cn1 306195062 345084443 /nfs/dbraw/zinc/08/44/43/345084443.db2.gz XXGLPIAAVQQKFL-JTQLQIEISA-N 0 0 194.665 2.926 10 30 AFEERN CC[C@](C)(C#N)c1ccc(Cl)cn1 306195063 345084648 /nfs/dbraw/zinc/08/46/48/345084648.db2.gz XXGLPIAAVQQKFL-SNVBAGLBSA-N 0 0 194.665 2.926 10 30 AFEERN C=CCNc1c(N)ccc(Cl)c1C 306199138 345087997 /nfs/dbraw/zinc/08/79/97/345087997.db2.gz RCZDHOMARSMYRJ-UHFFFAOYSA-N 0 0 196.681 2.829 10 30 AFEERN CC[C@@](C)(C#N)CC(F)F 306198990 345088045 /nfs/dbraw/zinc/08/80/45/345088045.db2.gz ZMZOLMWJYZVJIA-SSDOTTSWSA-N 0 0 147.168 2.581 10 30 AFEERN C[C@@H]1CC(=O)C=C(c2ccco2)C1 306199397 345088047 /nfs/dbraw/zinc/08/80/47/345088047.db2.gz SVAYLSVULLOXPC-QMMMGPOBSA-N 0 0 176.215 2.662 10 30 AFEERN C[C@H]1CC(=O)C=C(c2ccco2)C1 306199395 345088152 /nfs/dbraw/zinc/08/81/52/345088152.db2.gz SVAYLSVULLOXPC-MRVPVSSYSA-N 0 0 176.215 2.662 10 30 AFEERN CC[C@](C)(C#N)CC(F)F 306198991 345088139 /nfs/dbraw/zinc/08/81/39/345088139.db2.gz ZMZOLMWJYZVJIA-ZETCQYMHSA-N 0 0 147.168 2.581 10 30 AFEERN C#Cc1nc(C(C)C)[nH]c(=S)c1C 306200205 345089193 /nfs/dbraw/zinc/08/91/93/345089193.db2.gz OHCWITCBKXCOFU-UHFFFAOYSA-N 0 0 192.287 2.552 10 30 AFEERN C[C@@]1(c2ccoc2)CC[C@@H](CC#N)O1 306205266 345094307 /nfs/dbraw/zinc/09/43/07/345094307.db2.gz OJBLLDYYAUCQIQ-QWRGUYRKSA-N 0 0 191.230 2.587 10 30 AFEERN C[C@]1(c2ccoc2)CC[C@@H](CC#N)O1 306205267 345094317 /nfs/dbraw/zinc/09/43/17/345094317.db2.gz OJBLLDYYAUCQIQ-WDEREUQCSA-N 0 0 191.230 2.587 10 30 AFEERN C[C@@]1(c2ccoc2)CC[C@H](CC#N)O1 306205265 345094523 /nfs/dbraw/zinc/09/45/23/345094523.db2.gz OJBLLDYYAUCQIQ-MNOVXSKESA-N 0 0 191.230 2.587 10 30 AFEERN C[C@]1(c2ccoc2)CC[C@H](CC#N)O1 306205264 345094587 /nfs/dbraw/zinc/09/45/87/345094587.db2.gz OJBLLDYYAUCQIQ-GHMZBOCLSA-N 0 0 191.230 2.587 10 30 AFEERN CC#CCCSC/C=C/C 306205898 345095374 /nfs/dbraw/zinc/09/53/74/345095374.db2.gz HNXMKKPAHMXZTN-GQCTYLIASA-N 0 0 154.278 2.709 10 30 AFEERN Cc1ccc([C@@H]2CC[C@H](CC#N)O2)o1 306209393 345098907 /nfs/dbraw/zinc/09/89/07/345098907.db2.gz SLMZSPXUSCTJFJ-KOLCDFICSA-N 0 0 191.230 2.722 10 30 AFEERN Cc1ccc([C@H]2CC[C@@H](CC#N)O2)o1 306209390 345098975 /nfs/dbraw/zinc/09/89/75/345098975.db2.gz SLMZSPXUSCTJFJ-GXSJLCMTSA-N 0 0 191.230 2.722 10 30 AFEERN Cc1ccc([C@@H]2CC[C@@H](CC#N)O2)o1 306209395 345098996 /nfs/dbraw/zinc/09/89/96/345098996.db2.gz SLMZSPXUSCTJFJ-ONGXEEELSA-N 0 0 191.230 2.722 10 30 AFEERN Cc1ccccc1CC1(C=O)CCC1 306213673 345104044 /nfs/dbraw/zinc/10/40/44/345104044.db2.gz LVPZFTIOCRLFBT-UHFFFAOYSA-N 0 0 188.270 2.907 10 30 AFEERN CC1(C[C@@]2(C#N)CCOC2)CCCC1 306215140 345106290 /nfs/dbraw/zinc/10/62/90/345106290.db2.gz OEYNSUCRBZCTNN-GFCCVEGCSA-N 0 0 193.290 2.887 10 30 AFEERN CC1(C[C@]2(C#N)CCOC2)CCCC1 306215141 345106670 /nfs/dbraw/zinc/10/66/70/345106670.db2.gz OEYNSUCRBZCTNN-LBPRGKRZSA-N 0 0 193.290 2.887 10 30 AFEERN N#C[C@@]1(CC2CCC2)CCCCC1=O 306216915 345108127 /nfs/dbraw/zinc/10/81/27/345108127.db2.gz JHAZADXXHNLPOX-LBPRGKRZSA-N 0 0 191.274 2.830 10 30 AFEERN N#C[C@]1(CC2CCC2)CCCCC1=O 306216914 345108266 /nfs/dbraw/zinc/10/82/66/345108266.db2.gz JHAZADXXHNLPOX-GFCCVEGCSA-N 0 0 191.274 2.830 10 30 AFEERN CO[C@@H](C#N)C1CCC(C)(C)CC1 306218121 345110014 /nfs/dbraw/zinc/11/00/14/345110014.db2.gz LAMKMAXUSSDGEF-JTQLQIEISA-N 0 0 181.279 2.741 10 30 AFEERN CO[C@H](C#N)C1CCC(C)(C)CC1 306218122 345110212 /nfs/dbraw/zinc/11/02/12/345110212.db2.gz LAMKMAXUSSDGEF-SNVBAGLBSA-N 0 0 181.279 2.741 10 30 AFEERN C[C@@H](C=O)Cc1ccsc1Cl 306219260 345111238 /nfs/dbraw/zinc/11/12/38/345111238.db2.gz SMFMXWGCOLSBIR-ZCFIWIBFSA-N 0 0 188.679 2.779 10 30 AFEERN C[C@H](C=O)Cc1ccsc1Cl 306219259 345111450 /nfs/dbraw/zinc/11/14/50/345111450.db2.gz SMFMXWGCOLSBIR-LURJTMIESA-N 0 0 188.679 2.779 10 30 AFEERN CC(C)(O)CC1(C=O)CCCCCC1 306219327 345111914 /nfs/dbraw/zinc/11/19/14/345111914.db2.gz SRXHGCSZAVEFTP-UHFFFAOYSA-N 0 0 198.306 2.687 10 30 AFEERN CC1(C[C@@]2(C=O)CCOC2)CCCC1 306220694 345113632 /nfs/dbraw/zinc/11/36/32/345113632.db2.gz VGFMEKNUARAHHD-GFCCVEGCSA-N 0 0 196.290 2.562 10 30 AFEERN CC(C)C(O)(C(C)C)C1(C#N)CCC1 306220835 345113643 /nfs/dbraw/zinc/11/36/43/345113643.db2.gz OVGHORFOMHFXNI-UHFFFAOYSA-N 0 0 195.306 2.723 10 30 AFEERN CC1(C[C@]2(C=O)CCOC2)CCCC1 306220696 345113650 /nfs/dbraw/zinc/11/36/50/345113650.db2.gz VGFMEKNUARAHHD-LBPRGKRZSA-N 0 0 196.290 2.562 10 30 AFEERN C[C@@H]1CC[C@@]1(C#N)NC1CCCCC1 306221778 345114149 /nfs/dbraw/zinc/11/41/49/345114149.db2.gz JQXACXIYIJLYOO-PWSUYJOCSA-N 0 0 192.306 2.601 10 30 AFEERN C[C@@H]1CC[C@]1(C#N)N1CCCCCC1 306221495 345114189 /nfs/dbraw/zinc/11/41/89/345114189.db2.gz WAELJKQXVKDFSB-VXGBXAGGSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@H]1CC[C@@]1(C#N)N1CCCCCC1 306221494 345114267 /nfs/dbraw/zinc/11/42/67/345114267.db2.gz WAELJKQXVKDFSB-RYUDHWBXSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@H]1CC[C@@]1(C#N)NC1CCCCC1 306221770 345114280 /nfs/dbraw/zinc/11/42/80/345114280.db2.gz JQXACXIYIJLYOO-JQWIXIFHSA-N 0 0 192.306 2.601 10 30 AFEERN C[C@H]1CC[C@]1(C#N)NC1CCCCC1 306221761 345114310 /nfs/dbraw/zinc/11/43/10/345114310.db2.gz JQXACXIYIJLYOO-CMPLNLGQSA-N 0 0 192.306 2.601 10 30 AFEERN C[C@@H]1CC[C@@]1(C#N)N1CCCCCC1 306221492 345114332 /nfs/dbraw/zinc/11/43/32/345114332.db2.gz WAELJKQXVKDFSB-NEPJUHHUSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@H]1CC[C@]1(C#N)N1CCCCCC1 306221493 345114342 /nfs/dbraw/zinc/11/43/42/345114342.db2.gz WAELJKQXVKDFSB-NWDGAFQWSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@]1(C2CCC2)CCC[C@@H](C=O)O1 306222948 345115879 /nfs/dbraw/zinc/11/58/79/345115879.db2.gz YAUXLJMGWZDSLF-NWDGAFQWSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@]1(C2CCC2)CCC[C@H](C=O)O1 306222950 345115904 /nfs/dbraw/zinc/11/59/04/345115904.db2.gz YAUXLJMGWZDSLF-VXGBXAGGSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@@]1(C2CCC2)CCC[C@H](C=O)O1 306222947 345115916 /nfs/dbraw/zinc/11/59/16/345115916.db2.gz YAUXLJMGWZDSLF-NEPJUHHUSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@@]1(C2CCC2)CCC[C@@H](C=O)O1 306222949 345116071 /nfs/dbraw/zinc/11/60/71/345116071.db2.gz YAUXLJMGWZDSLF-RYUDHWBXSA-N 0 0 196.290 2.703 10 30 AFEERN COC[C@H](C)[C@]1(C#N)CCC[C@H](C)C1 306224592 345117604 /nfs/dbraw/zinc/11/76/04/345117604.db2.gz UKWWSFHFRKJCKJ-SDDRHHMPSA-N 0 0 195.306 2.989 10 30 AFEERN COC[C@H](C)[C@@]1(C#N)CCC[C@@H](C)C1 306224594 345117591 /nfs/dbraw/zinc/11/75/91/345117591.db2.gz UKWWSFHFRKJCKJ-WOPDTQHZSA-N 0 0 195.306 2.989 10 30 AFEERN COC[C@H](C)[C@]1(C#N)CCC[C@@H](C)C1 306224590 345117617 /nfs/dbraw/zinc/11/76/17/345117617.db2.gz UKWWSFHFRKJCKJ-GRYCIOLGSA-N 0 0 195.306 2.989 10 30 AFEERN COC[C@H](C)[C@@]1(C#N)CCC[C@H](C)C1 306224593 345117729 /nfs/dbraw/zinc/11/77/29/345117729.db2.gz UKWWSFHFRKJCKJ-SRVKXCTJSA-N 0 0 195.306 2.989 10 30 AFEERN CC[C@@](C)(C#N)N1CC2(CCCC2)C1 306225004 345118272 /nfs/dbraw/zinc/11/82/72/345118272.db2.gz LKADKWKUFRARBV-NSHDSACASA-N 0 0 192.306 2.555 10 30 AFEERN C=CCc1cc(Cl)cc(F)c1O 306225940 345119695 /nfs/dbraw/zinc/11/96/95/345119695.db2.gz FQKUMUNYDQHXHD-UHFFFAOYSA-N 0 0 186.613 2.913 10 30 AFEERN COC[C@H](C)C1(C#N)CCCCC1 306228179 345121220 /nfs/dbraw/zinc/12/12/20/345121220.db2.gz HWFHVSYHGVCTOT-JTQLQIEISA-N 0 0 181.279 2.743 10 30 AFEERN COC[C@@H](C)C1(C#N)CCCCC1 306228181 345121480 /nfs/dbraw/zinc/12/14/80/345121480.db2.gz HWFHVSYHGVCTOT-SNVBAGLBSA-N 0 0 181.279 2.743 10 30 AFEERN Cc1nc(SC(C)C)ccc1C#N 306229993 345123060 /nfs/dbraw/zinc/12/30/60/345123060.db2.gz KPISKRMDBBZMSS-UHFFFAOYSA-N 0 0 192.287 2.762 10 30 AFEERN C=C(C(F)(F)F)[C@@](C)(O)C1(C)CC1 306231486 345125139 /nfs/dbraw/zinc/12/51/39/345125139.db2.gz LRWVCXGCQTXPBG-MRVPVSSYSA-N 0 0 194.196 2.656 10 30 AFEERN C=C(C(F)(F)F)[C@](C)(O)C1(C)CC1 306232234 345126051 /nfs/dbraw/zinc/12/60/51/345126051.db2.gz LRWVCXGCQTXPBG-QMMMGPOBSA-N 0 0 194.196 2.656 10 30 AFEERN Cc1cc(C2(C#N)CCCC2)ccn1 306232940 345126619 /nfs/dbraw/zinc/12/66/19/345126619.db2.gz MNKLRWXVHOKMGM-UHFFFAOYSA-N 0 0 186.258 2.725 10 30 AFEERN CCC1(CC)CC[C@@H](CC#N)O1 306233823 345126993 /nfs/dbraw/zinc/12/69/93/345126993.db2.gz FLYAWCFWZNZDDA-VIFPVBQESA-N 0 0 167.252 2.638 10 30 AFEERN CCC1(CC)CC[C@H](CC#N)O1 306233822 345127183 /nfs/dbraw/zinc/12/71/83/345127183.db2.gz FLYAWCFWZNZDDA-SECBINFHSA-N 0 0 167.252 2.638 10 30 AFEERN N#Cc1cccc(Cl)c1NC1CC1 306235907 345128573 /nfs/dbraw/zinc/12/85/73/345128573.db2.gz DXAZWORWUQORNR-UHFFFAOYSA-N 0 0 192.649 2.786 10 30 AFEERN CC[C@@](C)(C#N)c1ncccc1Cl 306236831 345129832 /nfs/dbraw/zinc/12/98/32/345129832.db2.gz PNVYOAURUMFQTK-JTQLQIEISA-N 0 0 194.665 2.926 10 30 AFEERN CC[C@](C)(C#N)c1ncccc1Cl 306236832 345129943 /nfs/dbraw/zinc/12/99/43/345129943.db2.gz PNVYOAURUMFQTK-SNVBAGLBSA-N 0 0 194.665 2.926 10 30 AFEERN C[C@@H]1CCC[C@@](C=O)(CC(C)(C)O)C1 306237425 345130351 /nfs/dbraw/zinc/13/03/51/345130351.db2.gz LUPCIQJTBCMJQI-PWSUYJOCSA-N 0 0 198.306 2.543 10 30 AFEERN C[C@@H]1CCC[C@](C=O)(CC(C)(C)O)C1 306237434 345130399 /nfs/dbraw/zinc/13/03/99/345130399.db2.gz LUPCIQJTBCMJQI-ZYHUDNBSSA-N 0 0 198.306 2.543 10 30 AFEERN C[C@H]1CCC[C@](C=O)(CC(C)(C)O)C1 306237409 345130455 /nfs/dbraw/zinc/13/04/55/345130455.db2.gz LUPCIQJTBCMJQI-CMPLNLGQSA-N 0 0 198.306 2.543 10 30 AFEERN C[C@H]1CCC[C@@](C=O)(CC(C)(C)O)C1 306237417 345130551 /nfs/dbraw/zinc/13/05/51/345130551.db2.gz LUPCIQJTBCMJQI-JQWIXIFHSA-N 0 0 198.306 2.543 10 30 AFEERN CC(C)(C)c1cc(N=[N+]=[N-])ncn1 306238528 345131565 /nfs/dbraw/zinc/13/15/65/345131565.db2.gz JBJLTBNIYUIHNK-UHFFFAOYSA-N 0 0 177.211 2.716 10 30 AFEERN Clc1ccc(N=NC2CCC2)cn1 306242936 345134899 /nfs/dbraw/zinc/13/48/99/345134899.db2.gz BBMJHZGEXCTMPZ-UHFFFAOYSA-N 0 0 195.653 2.687 10 30 AFEERN CCO[C@]1(C=O)CCC(C)(C)C[C@@H]1C 306243341 345135270 /nfs/dbraw/zinc/13/52/70/345135270.db2.gz OHCYXIFYJMZSBA-JQWIXIFHSA-N 0 0 198.306 2.807 10 30 AFEERN CCO[C@@]1(C=O)CCC(C)(C)C[C@H]1C 306243348 345135342 /nfs/dbraw/zinc/13/53/42/345135342.db2.gz OHCYXIFYJMZSBA-ZYHUDNBSSA-N 0 0 198.306 2.807 10 30 AFEERN CCO[C@]1(C=O)CCC(C)(C)C[C@H]1C 306243345 345135646 /nfs/dbraw/zinc/13/56/46/345135646.db2.gz OHCYXIFYJMZSBA-PWSUYJOCSA-N 0 0 198.306 2.807 10 30 AFEERN CCC1CCC(C(=O)[C@@H](C)C#N)CC1 306245236 345136951 /nfs/dbraw/zinc/13/69/51/345136951.db2.gz UXFNCJOREJZQLH-WHXUTIOJSA-N 0 0 193.290 2.932 10 30 AFEERN CCC1CCC(C(=O)[C@H](C)C#N)CC1 306245233 345137135 /nfs/dbraw/zinc/13/71/35/345137135.db2.gz UXFNCJOREJZQLH-KPPDAEKUSA-N 0 0 193.290 2.932 10 30 AFEERN O=CCCc1ccsc1Cl 306246310 345138274 /nfs/dbraw/zinc/13/82/74/345138274.db2.gz QZPNHGXEMWSYLA-UHFFFAOYSA-N 0 0 174.652 2.533 10 30 AFEERN CC(C)=CC(=O)c1cc(C)ns1 306247203 345138922 /nfs/dbraw/zinc/13/89/22/345138922.db2.gz XGIMBHHZZOEQHT-UHFFFAOYSA-N 0 0 181.260 2.600 10 30 AFEERN CCC[C@]1(C)CC[C@@H](CC#N)O1 306250813 345142469 /nfs/dbraw/zinc/14/24/69/345142469.db2.gz SMJFDRFHVBRKDR-VHSXEESVSA-N 0 0 167.252 2.638 10 30 AFEERN CCC[C@@]1(C)CC[C@@H](CC#N)O1 306250812 345142485 /nfs/dbraw/zinc/14/24/85/345142485.db2.gz SMJFDRFHVBRKDR-UWVGGRQHSA-N 0 0 167.252 2.638 10 30 AFEERN CCC[C@]1(C)CC[C@H](CC#N)O1 306250811 345142618 /nfs/dbraw/zinc/14/26/18/345142618.db2.gz SMJFDRFHVBRKDR-NXEZZACHSA-N 0 0 167.252 2.638 10 30 AFEERN CCC[C@@]1(C)CC[C@H](CC#N)O1 306250814 345142674 /nfs/dbraw/zinc/14/26/74/345142674.db2.gz SMJFDRFHVBRKDR-ZJUUUORDSA-N 0 0 167.252 2.638 10 30 AFEERN CCc1ccccc1C1=CC(=O)CC1 306250668 345142678 /nfs/dbraw/zinc/14/26/78/345142678.db2.gz YJCBKDPFRVPKOT-UHFFFAOYSA-N 0 0 186.254 2.995 10 30 AFEERN C[C@]1(CC#N)CC[C@H](C2CCC2)O1 306252267 345143546 /nfs/dbraw/zinc/14/35/46/345143546.db2.gz AAHCNEJWMFTVRB-GHMZBOCLSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@]1(CC#N)CC[C@@H](C2CCC2)O1 306252270 345143726 /nfs/dbraw/zinc/14/37/26/345143726.db2.gz AAHCNEJWMFTVRB-WDEREUQCSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@]1(CC#N)CC[C@@H](C2CCC2)O1 306252269 345143730 /nfs/dbraw/zinc/14/37/30/345143730.db2.gz AAHCNEJWMFTVRB-QWRGUYRKSA-N 0 0 179.263 2.638 10 30 AFEERN C=C(C)CC(=O)c1cc(N)ccc1F 306251922 345143790 /nfs/dbraw/zinc/14/37/90/345143790.db2.gz LUFMDILDLZYKQL-UHFFFAOYSA-N 0 0 193.221 2.557 10 30 AFEERN C[C@@]1(CC#N)CC[C@H](C2CCC2)O1 306252268 345143906 /nfs/dbraw/zinc/14/39/06/345143906.db2.gz AAHCNEJWMFTVRB-MNOVXSKESA-N 0 0 179.263 2.638 10 30 AFEERN CCO[C@]1(C=O)CCC[C@@H](C)CC1 306254069 345145295 /nfs/dbraw/zinc/14/52/95/345145295.db2.gz TVSOCGICQSUSKU-GHMZBOCLSA-N 0 0 184.279 2.561 10 30 AFEERN CCO[C@]1(C=O)CCC[C@H](C)CC1 306254074 345145296 /nfs/dbraw/zinc/14/52/96/345145296.db2.gz TVSOCGICQSUSKU-WDEREUQCSA-N 0 0 184.279 2.561 10 30 AFEERN CCO[C@@]1(C=O)CCC[C@@H](C)CC1 306254072 345145301 /nfs/dbraw/zinc/14/53/01/345145301.db2.gz TVSOCGICQSUSKU-MNOVXSKESA-N 0 0 184.279 2.561 10 30 AFEERN CCO[C@@]1(C=O)CCC[C@H](C)CC1 306254073 345145527 /nfs/dbraw/zinc/14/55/27/345145527.db2.gz TVSOCGICQSUSKU-QWRGUYRKSA-N 0 0 184.279 2.561 10 30 AFEERN C[C@]1(CC#N)CC[C@](C)(C2CC2)O1 306256152 345147468 /nfs/dbraw/zinc/14/74/68/345147468.db2.gz WEURGSQCTBSLEC-GHMZBOCLSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@]1(CC#N)CC[C@](C)(C2CC2)O1 306256155 345147505 /nfs/dbraw/zinc/14/75/05/345147505.db2.gz WEURGSQCTBSLEC-WDEREUQCSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@]1(C2CC2)CC[C@](C)(CC#N)O1 306256153 345147515 /nfs/dbraw/zinc/14/75/15/345147515.db2.gz WEURGSQCTBSLEC-MNOVXSKESA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@]1(CC#N)CC[C@@](C)(C2CC2)O1 306256154 345147653 /nfs/dbraw/zinc/14/76/53/345147653.db2.gz WEURGSQCTBSLEC-QWRGUYRKSA-N 0 0 179.263 2.638 10 30 AFEERN C=NOC(=O)Nc1ccccc1Cl 306258528 345149118 /nfs/dbraw/zinc/14/91/18/345149118.db2.gz RTNQSTMVIWDGDV-UHFFFAOYSA-N 0 0 198.609 2.504 10 30 AFEERN [N-]=[N+]=Nc1ncc2ccsc2n1 306258619 345149332 /nfs/dbraw/zinc/14/93/32/345149332.db2.gz SCIRNYLPICLQEO-UHFFFAOYSA-N 0 0 177.192 2.633 10 30 AFEERN N#C[C@@]1(CCC2CC2)CCCS1 306261351 345151597 /nfs/dbraw/zinc/15/15/97/345151597.db2.gz VYGRJKGBKFJZCN-JTQLQIEISA-N 0 0 181.304 2.966 10 30 AFEERN N#C[C@]1(CCC2CC2)CCCS1 306261352 345151692 /nfs/dbraw/zinc/15/16/92/345151692.db2.gz VYGRJKGBKFJZCN-SNVBAGLBSA-N 0 0 181.304 2.966 10 30 AFEERN CC1(C)CCC(C[C@@](C)(O)C=O)CC1 306261540 345152307 /nfs/dbraw/zinc/15/23/07/345152307.db2.gz WLTMRNFPCMASBN-GFCCVEGCSA-N 0 0 198.306 2.543 10 30 AFEERN Cc1cc(C(F)F)cc(F)c1C#N 306273368 345161023 /nfs/dbraw/zinc/16/10/23/345161023.db2.gz ZFBTUBSQLJMICH-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN CC#C[C@H](O)c1cc(Cl)ccc1F 306275975 345163560 /nfs/dbraw/zinc/16/35/60/345163560.db2.gz DHYZYWUJFSNJRT-JTQLQIEISA-N 0 0 198.624 2.536 10 30 AFEERN CC(C)=CC(=O)c1cncc(Cl)c1 306281820 345167006 /nfs/dbraw/zinc/16/70/06/345167006.db2.gz XYEPZIQYLKMIBT-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN CC[C@](C)(C#N)c1ccncc1Cl 306282132 345167106 /nfs/dbraw/zinc/16/71/06/345167106.db2.gz YOFKQKWLZKCIPN-SNVBAGLBSA-N 0 0 194.665 2.926 10 30 AFEERN CC[C@@](C)(C#N)c1ccncc1Cl 306282131 345167168 /nfs/dbraw/zinc/16/71/68/345167168.db2.gz YOFKQKWLZKCIPN-JTQLQIEISA-N 0 0 194.665 2.926 10 30 AFEERN C=C(C)CSCCCF 306283077 345167543 /nfs/dbraw/zinc/16/75/43/345167543.db2.gz BFXXPZFUEMSVPR-UHFFFAOYSA-N 0 0 148.246 2.655 10 30 AFEERN C=C(C)C(=O)c1cc(F)cc(OC)c1 306286040 345169699 /nfs/dbraw/zinc/16/96/99/345169699.db2.gz KCNIMHACXKBIHM-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN CC(C)N=Nc1ccc(Cl)nc1 306288943 345171646 /nfs/dbraw/zinc/17/16/46/345171646.db2.gz NQSSSIXHCDZLPQ-UHFFFAOYSA-N 0 0 183.642 2.543 10 30 AFEERN CC#CCSCc1ccccc1 306292681 345174920 /nfs/dbraw/zinc/17/49/20/345174920.db2.gz VUUIBYYIAXACTH-UHFFFAOYSA-N 0 0 176.284 2.943 10 30 AFEERN N#Cc1ccc(NC2CCCC2)s1 306293520 345175407 /nfs/dbraw/zinc/17/54/07/345175407.db2.gz URPRZANRDJVZPQ-UHFFFAOYSA-N 0 0 192.287 2.974 10 30 AFEERN C[C@H](C=O)c1c(F)cccc1Cl 306295339 345176679 /nfs/dbraw/zinc/17/66/79/345176679.db2.gz HUBFCBKQHHPAEZ-ZCFIWIBFSA-N 0 0 186.613 2.782 10 30 AFEERN C[C@@H](C=O)c1c(F)cccc1Cl 306295337 345176734 /nfs/dbraw/zinc/17/67/34/345176734.db2.gz HUBFCBKQHHPAEZ-LURJTMIESA-N 0 0 186.613 2.782 10 30 AFEERN C=CC(=O)CC1(C)CCCC1 306304453 345184208 /nfs/dbraw/zinc/18/42/08/345184208.db2.gz GRXQCYPDUFSMHZ-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC1(CC2(C#N)CCOCC2)CCC1 306307282 345187495 /nfs/dbraw/zinc/18/74/95/345187495.db2.gz KAIAFNBPQAKRJQ-UHFFFAOYSA-N 0 0 193.290 2.887 10 30 AFEERN CN[C@H](C#N)C1CCC(C(C)C)CC1 306309922 345189218 /nfs/dbraw/zinc/18/92/18/345189218.db2.gz LTSBZJKNDWJALJ-HTAVTVPLSA-N 0 0 194.322 2.560 10 30 AFEERN CN[C@@H](C#N)C1CCC(C(C)C)CC1 306309923 345189635 /nfs/dbraw/zinc/18/96/35/345189635.db2.gz LTSBZJKNDWJALJ-MCIGGMRASA-N 0 0 194.322 2.560 10 30 AFEERN C#CCSC[C@@H]1CC1(Cl)Cl 306322105 345199346 /nfs/dbraw/zinc/19/93/46/345199346.db2.gz NZZKZNMZUHACML-LURJTMIESA-N 0 0 195.114 2.547 10 30 AFEERN C#CCSC[C@H]1CC1(Cl)Cl 306322107 345199579 /nfs/dbraw/zinc/19/95/79/345199579.db2.gz NZZKZNMZUHACML-ZCFIWIBFSA-N 0 0 195.114 2.547 10 30 AFEERN O=CC1=C(O)C2(CCCC2)CCC1 306323132 345200706 /nfs/dbraw/zinc/20/07/06/345200706.db2.gz LVZLUTZRTDQJIR-HJWRWDBZSA-N 0 0 180.247 2.742 10 30 AFEERN CC(C)CSc1ccncc1C#N 306325919 345203189 /nfs/dbraw/zinc/20/31/89/345203189.db2.gz OZUTWRIULFBSGE-UHFFFAOYSA-N 0 0 192.287 2.701 10 30 AFEERN COc1ccc(C2=CC(=O)CC2)s1 306326131 345203687 /nfs/dbraw/zinc/20/36/87/345203687.db2.gz IPDATBBEQMZJNX-UHFFFAOYSA-N 0 0 194.255 2.503 10 30 AFEERN CC[C@H](C)[C@@H](C)C1(C#N)CCOCC1 306330297 345207434 /nfs/dbraw/zinc/20/74/34/345207434.db2.gz DQZXATDCCFMICV-WDEREUQCSA-N 0 0 195.306 2.989 10 30 AFEERN CC[C@H](C)[C@H](C)C1(C#N)CCOCC1 306330291 345207492 /nfs/dbraw/zinc/20/74/92/345207492.db2.gz DQZXATDCCFMICV-QWRGUYRKSA-N 0 0 195.306 2.989 10 30 AFEERN CC[C@@H](C)[C@@H](C)C1(C#N)CCOCC1 306330278 345207533 /nfs/dbraw/zinc/20/75/33/345207533.db2.gz DQZXATDCCFMICV-GHMZBOCLSA-N 0 0 195.306 2.989 10 30 AFEERN CC[C@@H](C)[C@H](C)C1(C#N)CCOCC1 306330285 345207550 /nfs/dbraw/zinc/20/75/50/345207550.db2.gz DQZXATDCCFMICV-MNOVXSKESA-N 0 0 195.306 2.989 10 30 AFEERN Cc1cc(C2=CCCCC2=O)sn1 306332562 345209530 /nfs/dbraw/zinc/20/95/30/345209530.db2.gz QPXSYCUNRDWSAX-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN CC[C@H]1CCC[C@](C=O)(OC)CC1 306333488 345209705 /nfs/dbraw/zinc/20/97/05/345209705.db2.gz HUPGKBYJUATDJD-QWRGUYRKSA-N 0 0 184.279 2.561 10 30 AFEERN CC[C@@H]1CCC[C@@](C=O)(OC)CC1 306333484 345209650 /nfs/dbraw/zinc/20/96/50/345209650.db2.gz HUPGKBYJUATDJD-GHMZBOCLSA-N 0 0 184.279 2.561 10 30 AFEERN C=C(C)CC(=O)c1cc(C)cc(N)c1 306333036 345209713 /nfs/dbraw/zinc/20/97/13/345209713.db2.gz DMMTVMRSELMZRF-UHFFFAOYSA-N 0 0 189.258 2.726 10 30 AFEERN CC[C@H]1CCC[C@@](C=O)(OC)CC1 306333491 345210117 /nfs/dbraw/zinc/21/01/17/345210117.db2.gz HUPGKBYJUATDJD-WDEREUQCSA-N 0 0 184.279 2.561 10 30 AFEERN CC[C@@H]1CCC[C@](C=O)(OC)CC1 306333486 345210141 /nfs/dbraw/zinc/21/01/41/345210141.db2.gz HUPGKBYJUATDJD-MNOVXSKESA-N 0 0 184.279 2.561 10 30 AFEERN CC(=O)/C(C)=C/[C@]1(C)CCCS1 306337132 345213160 /nfs/dbraw/zinc/21/31/60/345213160.db2.gz HTIDLBSRINLSQS-JARNTUPDSA-N 0 0 184.304 2.807 10 30 AFEERN CC(=O)/C(C)=C/[C@@]1(C)CCCS1 306337134 345213167 /nfs/dbraw/zinc/21/31/67/345213167.db2.gz HTIDLBSRINLSQS-QROSGCPLSA-N 0 0 184.304 2.807 10 30 AFEERN CC#CCSC[C@@H]1CCO[C@@H](C)C1 306337974 345213524 /nfs/dbraw/zinc/21/35/24/345213524.db2.gz IJSNGINGGNHFBC-WDEREUQCSA-N 0 0 198.331 2.558 10 30 AFEERN CC#CCSC[C@H]1CCO[C@H](C)C1 306337972 345213558 /nfs/dbraw/zinc/21/35/58/345213558.db2.gz IJSNGINGGNHFBC-MNOVXSKESA-N 0 0 198.331 2.558 10 30 AFEERN CC#CCSC[C@H]1CCO[C@@H](C)C1 306337973 345213611 /nfs/dbraw/zinc/21/36/11/345213611.db2.gz IJSNGINGGNHFBC-QWRGUYRKSA-N 0 0 198.331 2.558 10 30 AFEERN CC#CCSC[C@@H]1CCO[C@H](C)C1 306337971 345213862 /nfs/dbraw/zinc/21/38/62/345213862.db2.gz IJSNGINGGNHFBC-GHMZBOCLSA-N 0 0 198.331 2.558 10 30 AFEERN N#CCN[C@@H]1CCCC12CCCCC2 306338757 345214004 /nfs/dbraw/zinc/21/40/04/345214004.db2.gz JLNMKULXQSNZMI-LLVKDONJSA-N 0 0 192.306 2.603 10 30 AFEERN N#CCN[C@H]1CCCC12CCCCC2 306338758 345214332 /nfs/dbraw/zinc/21/43/32/345214332.db2.gz JLNMKULXQSNZMI-NSHDSACASA-N 0 0 192.306 2.603 10 30 AFEERN C[C@](C#N)(NC1CCCC1)C1CCC1 306340631 345215267 /nfs/dbraw/zinc/21/52/67/345215267.db2.gz LPDVVZFPMRZNDX-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN C/C=C/C1=C(C)C(=O)CCC1 306341437 345215890 /nfs/dbraw/zinc/21/58/90/345215890.db2.gz XMSDLEHGPXVAMK-HWKANZROSA-N 0 0 150.221 2.632 10 30 AFEERN CC[C@@]1(C)CC[C@@](C)(CC#N)O1 306343377 345217084 /nfs/dbraw/zinc/21/70/84/345217084.db2.gz CRPCIYXXAYHBRI-UWVGGRQHSA-N 0 0 167.252 2.638 10 30 AFEERN CC[C@]1(C)CC[C@](C)(CC#N)O1 306343375 345217313 /nfs/dbraw/zinc/21/73/13/345217313.db2.gz CRPCIYXXAYHBRI-NXEZZACHSA-N 0 0 167.252 2.638 10 30 AFEERN CC[C@]1(C)CC[C@@](C)(CC#N)O1 306343381 345217214 /nfs/dbraw/zinc/21/72/14/345217214.db2.gz CRPCIYXXAYHBRI-ZJUUUORDSA-N 0 0 167.252 2.638 10 30 AFEERN CC[C@@]1(C)CC[C@](C)(CC#N)O1 306343379 345217287 /nfs/dbraw/zinc/21/72/87/345217287.db2.gz CRPCIYXXAYHBRI-VHSXEESVSA-N 0 0 167.252 2.638 10 30 AFEERN CC#C[C@](C)(O)c1ccc(Cl)cc1 306348081 345221816 /nfs/dbraw/zinc/22/18/16/345221816.db2.gz GFQBNTXSRSZUOF-NSHDSACASA-N 0 0 194.661 2.571 10 30 AFEERN CC#C[C@@](C)(O)c1ccc(Cl)cc1 306348080 345221858 /nfs/dbraw/zinc/22/18/58/345221858.db2.gz GFQBNTXSRSZUOF-LLVKDONJSA-N 0 0 194.661 2.571 10 30 AFEERN C=C(C)[C@H]([NH3+])c1csc(Cl)c1 306352346 345224981 /nfs/dbraw/zinc/22/49/81/345224981.db2.gz ZZXCCYCUGQXPCK-QMMMGPOBSA-N 0 0 187.695 2.977 10 30 AFEERN C=C(C)[C@@H]([NH3+])c1csc(Cl)c1 306352345 345225076 /nfs/dbraw/zinc/22/50/76/345225076.db2.gz ZZXCCYCUGQXPCK-MRVPVSSYSA-N 0 0 187.695 2.977 10 30 AFEERN CO[C@@]1(C=O)CCCC[C@H]1C(C)(C)C 306354434 345226407 /nfs/dbraw/zinc/22/64/07/345226407.db2.gz QXCPRSGBSVQFHD-CMPLNLGQSA-N 0 0 198.306 2.807 10 30 AFEERN CO[C@]1(C=O)CCCC[C@@H]1C(C)(C)C 306354449 345226415 /nfs/dbraw/zinc/22/64/15/345226415.db2.gz QXCPRSGBSVQFHD-PWSUYJOCSA-N 0 0 198.306 2.807 10 30 AFEERN CO[C@@]1(C=O)CCCC[C@@H]1C(C)(C)C 306354456 345226552 /nfs/dbraw/zinc/22/65/52/345226552.db2.gz QXCPRSGBSVQFHD-ZYHUDNBSSA-N 0 0 198.306 2.807 10 30 AFEERN CO[C@]1(C=O)CCCC[C@H]1C(C)(C)C 306354440 345226556 /nfs/dbraw/zinc/22/65/56/345226556.db2.gz QXCPRSGBSVQFHD-JQWIXIFHSA-N 0 0 198.306 2.807 10 30 AFEERN CC#C[C@@]1(O)CCCC[C@@H]1C(C)C 306360513 345230633 /nfs/dbraw/zinc/23/06/33/345230633.db2.gz MROIYYSIQBCMAY-VXGBXAGGSA-N 0 0 180.291 2.587 10 30 AFEERN CC#C[C@]1(O)CCCC[C@@H]1C(C)C 306360510 345230655 /nfs/dbraw/zinc/23/06/55/345230655.db2.gz MROIYYSIQBCMAY-NEPJUHHUSA-N 0 0 180.291 2.587 10 30 AFEERN CC#C[C@@]1(O)CCCC[C@H]1C(C)C 306360511 345230829 /nfs/dbraw/zinc/23/08/29/345230829.db2.gz MROIYYSIQBCMAY-NWDGAFQWSA-N 0 0 180.291 2.587 10 30 AFEERN CCC#C[C@H](C)SC[C@@H]1CCCO1 306364241 345234294 /nfs/dbraw/zinc/23/42/94/345234294.db2.gz GCJWEDXHZKNADT-QWRGUYRKSA-N 0 0 198.331 2.701 10 30 AFEERN C=CC(=O)Cc1csc(Cl)c1 306364346 345234298 /nfs/dbraw/zinc/23/42/98/345234298.db2.gz AIAVYFBXTQLLOA-UHFFFAOYSA-N 0 0 186.663 2.699 10 30 AFEERN CCC#C[C@H](C)SC[C@H]1CCCO1 306364250 345234554 /nfs/dbraw/zinc/23/45/54/345234554.db2.gz GCJWEDXHZKNADT-WDEREUQCSA-N 0 0 198.331 2.701 10 30 AFEERN CCC#C[C@@H](C)SC[C@@H]1CCCO1 306364237 345234583 /nfs/dbraw/zinc/23/45/83/345234583.db2.gz GCJWEDXHZKNADT-MNOVXSKESA-N 0 0 198.331 2.701 10 30 AFEERN CCC#C[C@@H](C)SC[C@H]1CCCO1 306364229 345234605 /nfs/dbraw/zinc/23/46/05/345234605.db2.gz GCJWEDXHZKNADT-GHMZBOCLSA-N 0 0 198.331 2.701 10 30 AFEERN C=CCN(C)c1cc(C)cc(C)c1 306365673 345235519 /nfs/dbraw/zinc/23/55/19/345235519.db2.gz FDFVHEXSOVQNIN-UHFFFAOYSA-N 0 0 175.275 2.926 10 30 AFEERN C=C[C@](O)(CC)c1cccc(C)c1 306366899 345236209 /nfs/dbraw/zinc/23/62/09/345236209.db2.gz BDGJANGJDGQWAF-LBPRGKRZSA-N 0 0 176.259 2.779 10 30 AFEERN C=C[C@@](O)(CC)c1cccc(C)c1 306366897 345236225 /nfs/dbraw/zinc/23/62/25/345236225.db2.gz BDGJANGJDGQWAF-GFCCVEGCSA-N 0 0 176.259 2.779 10 30 AFEERN C[C@@]1(CC2CCC2)CCC[C@@H](C=O)O1 306371099 345239622 /nfs/dbraw/zinc/23/96/22/345239622.db2.gz CECZQXOFIRPUFL-RYUDHWBXSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@]1(CC2CCC2)CCC[C@@H](C=O)O1 306371097 345239627 /nfs/dbraw/zinc/23/96/27/345239627.db2.gz CECZQXOFIRPUFL-NWDGAFQWSA-N 0 0 196.290 2.703 10 30 AFEERN C=CCNc1nc(C2CC2)cs1 306371510 345239631 /nfs/dbraw/zinc/23/96/31/345239631.db2.gz OHEJFUHXQIUNJZ-UHFFFAOYSA-N 0 0 180.276 2.618 10 30 AFEERN C[C@@]1(CC2CCC2)CCC[C@H](C=O)O1 306371095 345239751 /nfs/dbraw/zinc/23/97/51/345239751.db2.gz CECZQXOFIRPUFL-NEPJUHHUSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@]1(CC2CCC2)CCC[C@H](C=O)O1 306371100 345239828 /nfs/dbraw/zinc/23/98/28/345239828.db2.gz CECZQXOFIRPUFL-VXGBXAGGSA-N 0 0 196.290 2.703 10 30 AFEERN CC/C(=C\C(C)=O)[C@@H]1C[C@H]1C 306382769 345248460 /nfs/dbraw/zinc/24/84/60/345248460.db2.gz UNJQYELSRIUIJK-AEADIODBSA-N 0 0 152.237 2.568 10 30 AFEERN CC/C(=C\C(C)=O)[C@@H]1C[C@@H]1C 306382770 345248593 /nfs/dbraw/zinc/24/85/93/345248593.db2.gz UNJQYELSRIUIJK-INKHSBSNSA-N 0 0 152.237 2.568 10 30 AFEERN CCSCC#Cc1ccc(F)cc1 306385904 345250751 /nfs/dbraw/zinc/25/07/51/345250751.db2.gz XPYSNDDQXDZNMF-UHFFFAOYSA-N 0 0 194.274 2.930 10 30 AFEERN CCC1(C(=O)C=C(C)C)CC1 306385855 345250786 /nfs/dbraw/zinc/25/07/86/345250786.db2.gz RYICNVZBJVABLQ-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)[C@]1(C)CC[C@@](C)(CC#N)O1 306388727 345252469 /nfs/dbraw/zinc/25/24/69/345252469.db2.gz PDINDUHZWAAYKR-QWRGUYRKSA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)[C@]1(C)CC[C@](C)(CC#N)O1 306388726 345252506 /nfs/dbraw/zinc/25/25/06/345252506.db2.gz PDINDUHZWAAYKR-MNOVXSKESA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)[C@@]1(C)CC[C@@](C)(CC#N)O1 306388728 345252546 /nfs/dbraw/zinc/25/25/46/345252546.db2.gz PDINDUHZWAAYKR-WDEREUQCSA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)[C@@]1(C)CC[C@](C)(CC#N)O1 306388725 345252648 /nfs/dbraw/zinc/25/26/48/345252648.db2.gz PDINDUHZWAAYKR-GHMZBOCLSA-N 0 0 181.279 2.884 10 30 AFEERN C[C@]1(C2CC2)CCC[C@@H](CC#N)O1 306391263 345254169 /nfs/dbraw/zinc/25/41/69/345254169.db2.gz ABBJNLFCZVIKEX-WDEREUQCSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@]1(C2CC2)CCC[C@H](CC#N)O1 306391232 345254196 /nfs/dbraw/zinc/25/41/96/345254196.db2.gz ABBJNLFCZVIKEX-GHMZBOCLSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@]1(C2CC2)CCC[C@@H](CC#N)O1 306391254 345254294 /nfs/dbraw/zinc/25/42/94/345254294.db2.gz ABBJNLFCZVIKEX-QWRGUYRKSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@]1(C2CC2)CCC[C@H](CC#N)O1 306391244 345254330 /nfs/dbraw/zinc/25/43/30/345254330.db2.gz ABBJNLFCZVIKEX-MNOVXSKESA-N 0 0 179.263 2.638 10 30 AFEERN CC(C)CON=C1CCSCC1 306391424 345254863 /nfs/dbraw/zinc/25/48/63/345254863.db2.gz DERCXKBCMCLYBB-UHFFFAOYSA-N 0 0 187.308 2.542 10 30 AFEERN CCC(CC)C1(C#N)CC1 306392010 345254917 /nfs/dbraw/zinc/25/49/17/345254917.db2.gz ATPYVUTUOFNLJQ-UHFFFAOYSA-N 0 0 137.226 2.726 10 30 AFEERN CCCC(=O)c1cccc(F)c1C#N 306394136 345256381 /nfs/dbraw/zinc/25/63/81/345256381.db2.gz GHLQHQULAFTXSJ-UHFFFAOYSA-N 0 0 191.205 2.680 10 30 AFEERN Cc1nccc(C2(C#N)CC2)c1Cl 306399736 345261091 /nfs/dbraw/zinc/26/10/91/345261091.db2.gz MGEBSCPRBSRWLB-UHFFFAOYSA-N 0 0 192.649 2.599 10 30 AFEERN C[C@@H]([C@H]1CC(=O)C=CO1)C(C)(C)C 306405097 345264867 /nfs/dbraw/zinc/26/48/67/345264867.db2.gz JJFNOAGLPIZLJF-WCBMZHEXSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@@H]([C@@H]1CC(=O)C=CO1)C(C)(C)C 306405098 345264831 /nfs/dbraw/zinc/26/48/31/345264831.db2.gz JJFNOAGLPIZLJF-WPRPVWTQSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@H]([C@@H]1CC(=O)C=CO1)C(C)(C)C 306405095 345264901 /nfs/dbraw/zinc/26/49/01/345264901.db2.gz JJFNOAGLPIZLJF-SCZZXKLOSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@H]([C@H]1CC(=O)C=CO1)C(C)(C)C 306405094 345264905 /nfs/dbraw/zinc/26/49/05/345264905.db2.gz JJFNOAGLPIZLJF-PSASIEDQSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@@H](C#N)C(=O)c1csc(Cl)c1 306414840 345273158 /nfs/dbraw/zinc/27/31/58/345273158.db2.gz PCTOZZLPMLCXKU-YFKPBYRVSA-N 0 0 199.662 2.744 10 30 AFEERN C[C@H](C#N)C(=O)c1csc(Cl)c1 306414839 345273307 /nfs/dbraw/zinc/27/33/07/345273307.db2.gz PCTOZZLPMLCXKU-RXMQYKEDSA-N 0 0 199.662 2.744 10 30 AFEERN CCc1cc(N=[N+]=[N-])ccn1 306417233 345275188 /nfs/dbraw/zinc/27/51/88/345275188.db2.gz XZGVFTXSUGTGOE-UHFFFAOYSA-N 0 0 148.169 2.586 10 30 AFEERN O=C(C1=CCCCC1)c1ccsn1 306417815 345275840 /nfs/dbraw/zinc/27/58/40/345275840.db2.gz YYZUSWGRJSFSCT-UHFFFAOYSA-N 0 0 193.271 2.826 10 30 AFEERN N#Cc1ccc(NCc2ccccc2)o1 306418270 345276051 /nfs/dbraw/zinc/27/60/51/345276051.db2.gz SZMFBHSPZFXQLZ-UHFFFAOYSA-N 0 0 198.225 2.763 10 30 AFEERN CC=CC(=O)c1cc(C)cs1 306418883 345276721 /nfs/dbraw/zinc/27/67/21/345276721.db2.gz UYAUWNXMLWGNBJ-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN CC#C[C@H](O)c1ccc(C)c(Cl)c1 306419902 345277196 /nfs/dbraw/zinc/27/71/96/345277196.db2.gz YAXYDXXKOOZVJG-NSHDSACASA-N 0 0 194.661 2.705 10 30 AFEERN CC#C[C@@H](O)c1ccc(C)c(Cl)c1 306419901 345277228 /nfs/dbraw/zinc/27/72/28/345277228.db2.gz YAXYDXXKOOZVJG-LLVKDONJSA-N 0 0 194.661 2.705 10 30 AFEERN C/C=C/C[C@@]1(C#N)CCCCC1=O 306421448 345278486 /nfs/dbraw/zinc/27/84/86/345278486.db2.gz HDIRTORNAMEZAF-VUDBWIFFSA-N 0 0 177.247 2.606 10 30 AFEERN C/C=C/C[C@]1(C#N)CCCCC1=O 306421435 345278652 /nfs/dbraw/zinc/27/86/52/345278652.db2.gz HDIRTORNAMEZAF-KXMPLOMGSA-N 0 0 177.247 2.606 10 30 AFEERN CC(C)=CC(=O)C#Cc1ccccc1 306424616 345281688 /nfs/dbraw/zinc/28/16/88/345281688.db2.gz IPKSOUDQDJBXLH-UHFFFAOYSA-N 0 0 184.238 2.573 10 30 AFEERN C=C(Cl)CNc1ncc(C)s1 306425906 345282878 /nfs/dbraw/zinc/28/28/78/345282878.db2.gz HQEBHOMHNCGRIY-UHFFFAOYSA-N 0 0 188.683 2.616 10 30 AFEERN N#CC1(CCO)CCCCCCC1 306425882 345283250 /nfs/dbraw/zinc/28/32/50/345283250.db2.gz HNRKTWJJZWDTQV-UHFFFAOYSA-N 0 0 181.279 2.623 10 30 AFEERN C/C(CC1CCCCC1)=N\O 306431121 345289663 /nfs/dbraw/zinc/28/96/63/345289663.db2.gz KKIFOLWHBGNWSQ-CSKARUKUSA-N 0 0 155.241 2.807 10 30 AFEERN CC(C)(C)[C@@H]1CC[C@@](C)(CC#N)O1 306434309 345293631 /nfs/dbraw/zinc/29/36/31/345293631.db2.gz ZPBZTQWCIWQXFN-ONGXEEELSA-N 0 0 181.279 2.884 10 30 AFEERN CC#C[C@@H](O)c1ccc(C2CC2)cc1 306434162 345293838 /nfs/dbraw/zinc/29/38/38/345293838.db2.gz ZFHXIVXWOFKFIP-CYBMUJFWSA-N 0 0 186.254 2.621 10 30 AFEERN CC(C)(C)[C@H]1CC[C@@](C)(CC#N)O1 306434307 345293857 /nfs/dbraw/zinc/29/38/57/345293857.db2.gz ZPBZTQWCIWQXFN-KOLCDFICSA-N 0 0 181.279 2.884 10 30 AFEERN CC#C[C@H](O)c1ccc(C2CC2)cc1 306434163 345294016 /nfs/dbraw/zinc/29/40/16/345294016.db2.gz ZFHXIVXWOFKFIP-ZDUSSCGKSA-N 0 0 186.254 2.621 10 30 AFEERN C=CCC[C@@]1(C#N)CCCS1 306435150 345294995 /nfs/dbraw/zinc/29/49/95/345294995.db2.gz AVWSPCATUSMSMN-VIFPVBQESA-N 0 0 167.277 2.742 10 30 AFEERN C=CCC[C@]1(C#N)CCCS1 306435147 345295036 /nfs/dbraw/zinc/29/50/36/345295036.db2.gz AVWSPCATUSMSMN-SECBINFHSA-N 0 0 167.277 2.742 10 30 AFEERN CC#CCSc1ccccc1OC 306435621 345295780 /nfs/dbraw/zinc/29/57/80/345295780.db2.gz FWDKQZLDSSRKNB-UHFFFAOYSA-N 0 0 192.283 2.811 10 30 AFEERN CC#CCNc1ccsc1Cl 306435804 345296418 /nfs/dbraw/zinc/29/64/18/345296418.db2.gz BSPFCVFPVJOBIV-UHFFFAOYSA-N 0 0 185.679 2.837 10 30 AFEERN CC(F)=CC(=O)c1ccccc1 306439643 345299794 /nfs/dbraw/zinc/29/97/94/345299794.db2.gz AFNRWGZBZKNNAY-BQYQJAHWSA-N 0 0 164.179 2.743 10 30 AFEERN CC#CC[C@H](O)C(C)(C)C1CCC1 306440919 345301332 /nfs/dbraw/zinc/30/13/32/345301332.db2.gz OEEFREFBRYSELN-NSHDSACASA-N 0 0 180.291 2.587 10 30 AFEERN CC#CC[C@@H](O)C(C)(C)C1CCC1 306440918 345301372 /nfs/dbraw/zinc/30/13/72/345301372.db2.gz OEEFREFBRYSELN-LLVKDONJSA-N 0 0 180.291 2.587 10 30 AFEERN CCC[C@@H](C)C1(C#N)CC1 306441691 345302139 /nfs/dbraw/zinc/30/21/39/345302139.db2.gz UERQMJGTDGRKOC-MRVPVSSYSA-N 0 0 137.226 2.726 10 30 AFEERN CCC[C@H](C)C1(C#N)CC1 306441692 345302185 /nfs/dbraw/zinc/30/21/85/345302185.db2.gz UERQMJGTDGRKOC-QMMMGPOBSA-N 0 0 137.226 2.726 10 30 AFEERN C[C@H]1CC(=O)C=C(C2CCC2)C1 306446221 345305624 /nfs/dbraw/zinc/30/56/24/345305624.db2.gz ABMVKSZVNFXMBD-MRVPVSSYSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1CC(=O)C=C(C2CCC2)C1 306446222 345305622 /nfs/dbraw/zinc/30/56/22/345305622.db2.gz ABMVKSZVNFXMBD-QMMMGPOBSA-N 0 0 164.248 2.712 10 30 AFEERN N#Cc1cccnc1SC1CCC1 306446027 345305647 /nfs/dbraw/zinc/30/56/47/345305647.db2.gz UIFUSJDDGPYWSE-UHFFFAOYSA-N 0 0 190.271 2.598 10 30 AFEERN CC(C)CN=Nc1cc(Cl)ccn1 306446102 345305748 /nfs/dbraw/zinc/30/57/48/345305748.db2.gz UPCLIWDYZZTHKZ-WUXMJOGZSA-N 0 0 197.669 2.789 10 30 AFEERN O=C1CCCC=C1C1=CCCC1 306447550 345307341 /nfs/dbraw/zinc/30/73/41/345307341.db2.gz FHXAGPVXAQTKPK-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN C=CCSc1ccc(C)c(N)c1 306447648 345307364 /nfs/dbraw/zinc/30/73/64/345307364.db2.gz FWBDBUZVEIKVOL-UHFFFAOYSA-N 0 0 179.288 2.855 10 30 AFEERN CC[C@@H](C)C1=CC(=O)C[C@H](C)C1 306447926 345307965 /nfs/dbraw/zinc/30/79/65/345307965.db2.gz GNOSLQXUZLCJBE-RKDXNWHRSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C)C1=CC(=O)C[C@H](C)C1 306447923 345308110 /nfs/dbraw/zinc/30/81/10/345308110.db2.gz GNOSLQXUZLCJBE-BDAKNGLRSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H](C)C1=CC(=O)C[C@@H](C)C1 306447924 345308122 /nfs/dbraw/zinc/30/81/22/345308122.db2.gz GNOSLQXUZLCJBE-DTWKUNHWSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C)C1=CC(=O)C[C@@H](C)C1 306447925 345308144 /nfs/dbraw/zinc/30/81/44/345308144.db2.gz GNOSLQXUZLCJBE-IUCAKERBSA-N 0 0 166.264 2.958 10 30 AFEERN CC#CCCC1(C#N)CCCC1 306448417 345308814 /nfs/dbraw/zinc/30/88/14/345308814.db2.gz IDWLMWPSHSIJNO-UHFFFAOYSA-N 0 0 161.248 2.874 10 30 AFEERN CC(=O)[C@@](C)(C#N)C/C(C)=C/Cl 306449436 345309451 /nfs/dbraw/zinc/30/94/51/345309451.db2.gz MLRDHMOOCKKLAS-VPIOIWJLSA-N 0 0 185.654 2.638 10 30 AFEERN CC(=O)[C@](C)(C#N)C/C(C)=C/Cl 306449435 345309456 /nfs/dbraw/zinc/30/94/56/345309456.db2.gz MLRDHMOOCKKLAS-IWGCBNPKSA-N 0 0 185.654 2.638 10 30 AFEERN CSC1(/C=C(/C)C(C)=O)CCC1 306449441 345309510 /nfs/dbraw/zinc/30/95/10/345309510.db2.gz MOVODVMSPFZNES-FPLPWBNLSA-N 0 0 184.304 2.807 10 30 AFEERN C=C(C)CC(=O)c1ccc(C)c(C)n1 306449681 345310192 /nfs/dbraw/zinc/31/01/92/345310192.db2.gz BDZKUIMFDZRINJ-UHFFFAOYSA-N 0 0 189.258 2.847 10 30 AFEERN O=CC1(C[C@H]2CCCO2)CCCCC1 306450539 345311116 /nfs/dbraw/zinc/31/11/16/345311116.db2.gz COUHYOUMRJYKBQ-LLVKDONJSA-N 0 0 196.290 2.705 10 30 AFEERN O=CC1(C[C@@H]2CCCO2)CCCCC1 306450540 345311240 /nfs/dbraw/zinc/31/12/40/345311240.db2.gz COUHYOUMRJYKBQ-NSHDSACASA-N 0 0 196.290 2.705 10 30 AFEERN C(CON=C1CCC1)=C1CCC1 306451520 345312093 /nfs/dbraw/zinc/31/20/93/345312093.db2.gz SLNGNTAMXODENZ-UHFFFAOYSA-N 0 0 165.236 2.653 10 30 AFEERN C#CC[C@@]1(C#N)CCC[C@H](C)C1 306452358 345312693 /nfs/dbraw/zinc/31/26/93/345312693.db2.gz VBPQMAVTYWMZCE-WDEREUQCSA-N 0 0 161.248 2.730 10 30 AFEERN C#CC[C@]1(C#N)CCC[C@@H](C)C1 306452356 345312748 /nfs/dbraw/zinc/31/27/48/345312748.db2.gz VBPQMAVTYWMZCE-MNOVXSKESA-N 0 0 161.248 2.730 10 30 AFEERN C#CCCC[C@@]1(C#N)CCCS1 306453463 345313576 /nfs/dbraw/zinc/31/35/76/345313576.db2.gz JMCRZRGWAFLXEF-JTQLQIEISA-N 0 0 179.288 2.579 10 30 AFEERN C#CCCC[C@]1(C#N)CCCS1 306453464 345313676 /nfs/dbraw/zinc/31/36/76/345313676.db2.gz JMCRZRGWAFLXEF-SNVBAGLBSA-N 0 0 179.288 2.579 10 30 AFEERN CC(C)CC1=CC(=O)C[C@H](C)C1 306454103 345314043 /nfs/dbraw/zinc/31/40/43/345314043.db2.gz YZACUNOGWYENPZ-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@](C)(O)C#Cc1sccc1C 306453864 345314145 /nfs/dbraw/zinc/31/41/45/345314145.db2.gz KNFLIQULJKZORS-LLVKDONJSA-N 0 0 194.299 2.569 10 30 AFEERN CC(C)CC1=CC(=O)C[C@@H](C)C1 306454105 345314154 /nfs/dbraw/zinc/31/41/54/345314154.db2.gz YZACUNOGWYENPZ-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@](C)(O)C#Cc1sccc1C 306453865 345314156 /nfs/dbraw/zinc/31/41/56/345314156.db2.gz KNFLIQULJKZORS-NSHDSACASA-N 0 0 194.299 2.569 10 30 AFEERN C/C(=N\O)c1c(C)cccc1C 306454589 345314502 /nfs/dbraw/zinc/31/45/02/345314502.db2.gz MBTHQVHQXMSGFL-PKNBQFBNSA-N 0 0 163.220 2.502 10 30 AFEERN C=C[C@@H](C)N1CC[C@@H](C)C(F)(F)C1 306459741 345319121 /nfs/dbraw/zinc/31/91/21/345319121.db2.gz BKYAHFLGPBJSHI-RKDXNWHRSA-N 0 0 189.249 2.538 10 30 AFEERN C=C[C@H](C)N1CC[C@H](C)C(F)(F)C1 306459738 345319324 /nfs/dbraw/zinc/31/93/24/345319324.db2.gz BKYAHFLGPBJSHI-IUCAKERBSA-N 0 0 189.249 2.538 10 30 AFEERN C=C[C@H](C)N1CC[C@@H](C)C(F)(F)C1 306459729 345319367 /nfs/dbraw/zinc/31/93/67/345319367.db2.gz BKYAHFLGPBJSHI-BDAKNGLRSA-N 0 0 189.249 2.538 10 30 AFEERN C=C[C@@H](C)N1CC[C@H](C)C(F)(F)C1 306459735 345319386 /nfs/dbraw/zinc/31/93/86/345319386.db2.gz BKYAHFLGPBJSHI-DTWKUNHWSA-N 0 0 189.249 2.538 10 30 AFEERN C/C=C/C(=O)[C@@H]1[C@H]2CCCC[C@H]21 306460043 345319854 /nfs/dbraw/zinc/31/98/54/345319854.db2.gz HKUHMVHGUSELTD-XSJUWWFESA-N 0 0 164.248 2.568 10 30 AFEERN C=CCSCc1nccs1 306461679 345320840 /nfs/dbraw/zinc/32/08/40/345320840.db2.gz DWIJVAHFXYSXKM-UHFFFAOYSA-N 0 0 171.290 2.562 10 30 AFEERN CC1(CC[C@H]2CO2)CCCC1 306461381 345320849 /nfs/dbraw/zinc/32/08/49/345320849.db2.gz INPKOTSRMRTAMD-VIFPVBQESA-N 0 0 154.253 2.746 10 30 AFEERN CC1(CC[C@@H]2CO2)CCCC1 306461380 345320939 /nfs/dbraw/zinc/32/09/39/345320939.db2.gz INPKOTSRMRTAMD-SECBINFHSA-N 0 0 154.253 2.746 10 30 AFEERN CC(C)O[C@]1(C=O)CC[C@@H](C)[C@H](C)C1 306462152 345321799 /nfs/dbraw/zinc/32/17/99/345321799.db2.gz GZCHBQWCEKCBFS-IJLUTSLNSA-N 0 0 198.306 2.805 10 30 AFEERN CC(C)=CC(=O)c1ccc(C)c(C)n1 306462541 345322216 /nfs/dbraw/zinc/32/22/16/345322216.db2.gz HUDASLLNBFPSFI-UHFFFAOYSA-N 0 0 189.258 2.847 10 30 AFEERN CC(C)[C@@H](C)[C@H](C#N)c1ccccn1 306463979 345324021 /nfs/dbraw/zinc/32/40/21/345324021.db2.gz AEZXGZJSSOKBPE-MNOVXSKESA-N 0 0 188.274 2.981 10 30 AFEERN CC(C)[C@@H](C)[C@@H](C#N)c1ccccn1 306463978 345324072 /nfs/dbraw/zinc/32/40/72/345324072.db2.gz AEZXGZJSSOKBPE-GHMZBOCLSA-N 0 0 188.274 2.981 10 30 AFEERN CC1(C(=O)[C@H](C#N)c2ccccc2)CC1 306463713 345324138 /nfs/dbraw/zinc/32/41/38/345324138.db2.gz INDUWXPCEHLBGX-LLVKDONJSA-N 0 0 199.253 2.663 10 30 AFEERN CC1(C(=O)[C@@H](C#N)c2ccccc2)CC1 306463715 345324180 /nfs/dbraw/zinc/32/41/80/345324180.db2.gz INDUWXPCEHLBGX-NSHDSACASA-N 0 0 199.253 2.663 10 30 AFEERN CC(C)[C@H](C)[C@H](C#N)c1ccccn1 306463980 345324449 /nfs/dbraw/zinc/32/44/49/345324449.db2.gz AEZXGZJSSOKBPE-QWRGUYRKSA-N 0 0 188.274 2.981 10 30 AFEERN CC(C)[C@H](C)[C@@H](C#N)c1ccccn1 306463981 345324596 /nfs/dbraw/zinc/32/45/96/345324596.db2.gz AEZXGZJSSOKBPE-WDEREUQCSA-N 0 0 188.274 2.981 10 30 AFEERN CC(C)[C@H](C)[C@]1(C#N)CCCC1=O 306464620 345324859 /nfs/dbraw/zinc/32/48/59/345324859.db2.gz AUBFAXZNLRHWCY-GXSJLCMTSA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)[C@@H](C)[C@]1(C#N)CCCC1=O 306464622 345324875 /nfs/dbraw/zinc/32/48/75/345324875.db2.gz AUBFAXZNLRHWCY-MWLCHTKSSA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)[C@H](C)[C@@]1(C#N)CCCC1=O 306464623 345324901 /nfs/dbraw/zinc/32/49/01/345324901.db2.gz AUBFAXZNLRHWCY-ONGXEEELSA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)[C@@H](C)[C@@]1(C#N)CCCC1=O 306464621 345324978 /nfs/dbraw/zinc/32/49/78/345324978.db2.gz AUBFAXZNLRHWCY-KOLCDFICSA-N 0 0 179.263 2.541 10 30 AFEERN C/C=C/C(=O)[C@H](C)C(C)(C)C 306468086 345329023 /nfs/dbraw/zinc/32/90/23/345329023.db2.gz RNXPYRKVKAZJIE-CZEYKFRCSA-N 0 0 154.253 2.814 10 30 AFEERN C/C=C/C(=O)[C@@H](C)C(C)(C)C 306468087 345329358 /nfs/dbraw/zinc/32/93/58/345329358.db2.gz RNXPYRKVKAZJIE-HYDMIIDASA-N 0 0 154.253 2.814 10 30 AFEERN C=CC(=O)Cc1sccc1Cl 306468512 345330446 /nfs/dbraw/zinc/33/04/46/345330446.db2.gz SMPTYSKHOGPSFN-UHFFFAOYSA-N 0 0 186.663 2.699 10 30 AFEERN CO[C@@]1(C=O)CCCC(C)(C)CC1 306469308 345331884 /nfs/dbraw/zinc/33/18/84/345331884.db2.gz PDZCPSHZPPLFLZ-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN C=C(C)C[C@]1(C#N)CCCS1 306468869 345331208 /nfs/dbraw/zinc/33/12/08/345331208.db2.gz SYUWDHPAFHRIMI-VIFPVBQESA-N 0 0 167.277 2.742 10 30 AFEERN C=C(C)C[C@@]1(C#N)CCCS1 306468868 345331256 /nfs/dbraw/zinc/33/12/56/345331256.db2.gz SYUWDHPAFHRIMI-SECBINFHSA-N 0 0 167.277 2.742 10 30 AFEERN CCC1(C[C@@]2(C#N)CCCN2)CCC1 306468853 345331293 /nfs/dbraw/zinc/33/12/93/345331293.db2.gz OHXKDBFAYHOJDL-GFCCVEGCSA-N 0 0 192.306 2.603 10 30 AFEERN CO[C@]1(C=O)CCCC(C)(C)CC1 306469307 345331975 /nfs/dbraw/zinc/33/19/75/345331975.db2.gz PDZCPSHZPPLFLZ-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN C=C(C)CCn1ccc(Cl)n1 306470517 345333619 /nfs/dbraw/zinc/33/36/19/345333619.db2.gz XMQDROUPAOJCBN-UHFFFAOYSA-N 0 0 170.643 2.503 10 30 AFEERN Cc1cc(F)ccc1CC1(C=O)CC1 306470438 345333656 /nfs/dbraw/zinc/33/36/56/345333656.db2.gz QQBYUNNAQIAMLY-UHFFFAOYSA-N 0 0 192.233 2.656 10 30 AFEERN CC(C)=CCS[C@@H](C)C#N 306472675 345336165 /nfs/dbraw/zinc/33/61/65/345336165.db2.gz FKWSJLSXXGJKRJ-QMMMGPOBSA-N 0 0 155.266 2.598 10 30 AFEERN CC(C)=CCS[C@H](C)C#N 306472673 345336372 /nfs/dbraw/zinc/33/63/72/345336372.db2.gz FKWSJLSXXGJKRJ-MRVPVSSYSA-N 0 0 155.266 2.598 10 30 AFEERN CC(C)(C=O)C[C@@H]1Cc2ccccc21 306474005 345338107 /nfs/dbraw/zinc/33/81/07/345338107.db2.gz VFYYYSDZDVZIMI-NSHDSACASA-N 0 0 188.270 2.942 10 30 AFEERN CC(C)(C=O)C[C@H]1Cc2ccccc21 306474004 345338364 /nfs/dbraw/zinc/33/83/64/345338364.db2.gz VFYYYSDZDVZIMI-LLVKDONJSA-N 0 0 188.270 2.942 10 30 AFEERN C=C[C@H](C)C1(C=O)CCCC1 306474340 345338837 /nfs/dbraw/zinc/33/88/37/345338837.db2.gz VPFVNNARYJANEL-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H](C)C1(C=O)CCCC1 306474339 345338857 /nfs/dbraw/zinc/33/88/57/345338857.db2.gz VPFVNNARYJANEL-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C#CCSCc1ccc(F)cc1 306474562 345339464 /nfs/dbraw/zinc/33/94/64/345339464.db2.gz GLWCEUPMNIVRHJ-UHFFFAOYSA-N 0 0 180.247 2.692 10 30 AFEERN CCNc1c(Cl)cccc1C#N 306475064 345339859 /nfs/dbraw/zinc/33/98/59/345339859.db2.gz HCPJKORDILODHY-UHFFFAOYSA-N 0 0 180.638 2.643 10 30 AFEERN Cc1ccsc1C(=O)C1=COCC1 306475062 345339949 /nfs/dbraw/zinc/33/99/49/345339949.db2.gz HCEOOLSQCFJYSS-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN C=C(C)CCSCC#CC 306475324 345340396 /nfs/dbraw/zinc/34/03/96/345340396.db2.gz RGSYUXSEVRZGBD-UHFFFAOYSA-N 0 0 154.278 2.709 10 30 AFEERN C/C=C/C[C@](C)(C#N)CC 306475975 345341581 /nfs/dbraw/zinc/34/15/81/345341581.db2.gz UGKBYWUADXJRGN-OTQAPUNGSA-N 0 0 137.226 2.892 10 30 AFEERN C/C=C/C[C@@](C)(C#N)CC 306475974 345341622 /nfs/dbraw/zinc/34/16/22/345341622.db2.gz UGKBYWUADXJRGN-DNQSNQRASA-N 0 0 137.226 2.892 10 30 AFEERN Cc1cc(F)ccc1CC(C)(C)C=O 306476523 345342158 /nfs/dbraw/zinc/34/21/58/345342158.db2.gz YFFFOSTUZZBQFN-UHFFFAOYSA-N 0 0 194.249 2.902 10 30 AFEERN C=CC(=O)[C@H]1CC2CCC1CC2 306480775 345348432 /nfs/dbraw/zinc/34/84/32/345348432.db2.gz NOLGYLJDOVQIOB-RTBKNWGFSA-N 0 0 164.248 2.568 10 30 AFEERN C=CC(=O)[C@@H]1CC2CCC1CC2 306480776 345348749 /nfs/dbraw/zinc/34/87/49/345348749.db2.gz NOLGYLJDOVQIOB-UDNWOFFPSA-N 0 0 164.248 2.568 10 30 AFEERN CCc1csc([C@](C)(C#N)CC)n1 306484363 345353376 /nfs/dbraw/zinc/35/33/76/345353376.db2.gz QADJMMSRIIKCBD-JTQLQIEISA-N 0 0 194.303 2.897 10 30 AFEERN C=C(C)CSc1ncccc1C#N 306484550 345353497 /nfs/dbraw/zinc/35/34/97/345353497.db2.gz GDWFWDPDCGIAGQ-UHFFFAOYSA-N 0 0 190.271 2.621 10 30 AFEERN CCc1csc([C@@](C)(C#N)CC)n1 306484364 345353506 /nfs/dbraw/zinc/35/35/06/345353506.db2.gz QADJMMSRIIKCBD-SNVBAGLBSA-N 0 0 194.303 2.897 10 30 AFEERN C=C(Cl)CN1CCCC[C@H](F)C1 306487104 345357073 /nfs/dbraw/zinc/35/70/73/345357073.db2.gz SWSWITRPDIHZIN-VIFPVBQESA-N 0 0 191.677 2.563 10 30 AFEERN C=C(Cl)CN1CCCC[C@@H](F)C1 306487103 345357241 /nfs/dbraw/zinc/35/72/41/345357241.db2.gz SWSWITRPDIHZIN-SECBINFHSA-N 0 0 191.677 2.563 10 30 AFEERN CC[C@@]1(C2CC2)CC[C@H](CC#N)O1 306487672 345357631 /nfs/dbraw/zinc/35/76/31/345357631.db2.gz UGOZNFHFMFLOPX-MNOVXSKESA-N 0 0 179.263 2.638 10 30 AFEERN CC[C@]1(C2CC2)CC[C@H](CC#N)O1 306487668 345357739 /nfs/dbraw/zinc/35/77/39/345357739.db2.gz UGOZNFHFMFLOPX-GHMZBOCLSA-N 0 0 179.263 2.638 10 30 AFEERN CC[C@]1(C2CC2)CC[C@@H](CC#N)O1 306487679 345357842 /nfs/dbraw/zinc/35/78/42/345357842.db2.gz UGOZNFHFMFLOPX-WDEREUQCSA-N 0 0 179.263 2.638 10 30 AFEERN CC[C@@]1(C2CC2)CC[C@@H](CC#N)O1 306487675 345357857 /nfs/dbraw/zinc/35/78/57/345357857.db2.gz UGOZNFHFMFLOPX-QWRGUYRKSA-N 0 0 179.263 2.638 10 30 AFEERN C#CCC(=O)C(C)(C)C(C)(C)C 306487755 345358191 /nfs/dbraw/zinc/35/81/91/345358191.db2.gz UKDZCDFNAADMPS-UHFFFAOYSA-N 0 0 166.264 2.651 10 30 AFEERN CC[C@H](C)ON=C1CCSCC1 306488457 345358895 /nfs/dbraw/zinc/35/88/95/345358895.db2.gz VCWGINRJDBBRIR-QMMMGPOBSA-N 0 0 187.308 2.685 10 30 AFEERN CC[C@@H](C)ON=C1CCSCC1 306488456 345358918 /nfs/dbraw/zinc/35/89/18/345358918.db2.gz VCWGINRJDBBRIR-MRVPVSSYSA-N 0 0 187.308 2.685 10 30 AFEERN C=C(C)[C@@H](O)C(C)(C)C1CCC1 306489170 345360125 /nfs/dbraw/zinc/36/01/25/345360125.db2.gz LBROBGBQOCABBC-SNVBAGLBSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@H](O)C(C)(C)C1CCC1 306489169 345360199 /nfs/dbraw/zinc/36/01/99/345360199.db2.gz LBROBGBQOCABBC-JTQLQIEISA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C(=O)c1cccc(F)c1OC 306491736 345364289 /nfs/dbraw/zinc/36/42/89/345364289.db2.gz WLQQPNBZLFRFLW-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN CC#C[C@@]1(O)CCCCC12CCCC2 306492236 345364799 /nfs/dbraw/zinc/36/47/99/345364799.db2.gz PPXFIBJMGMBPRQ-CYBMUJFWSA-N 0 0 192.302 2.875 10 30 AFEERN CC#C[C@]1(O)CCCCC12CCCC2 306492237 345364816 /nfs/dbraw/zinc/36/48/16/345364816.db2.gz PPXFIBJMGMBPRQ-ZDUSSCGKSA-N 0 0 192.302 2.875 10 30 AFEERN CC(C)[C@H](C)Nc1ccc(C#N)o1 306493421 345366492 /nfs/dbraw/zinc/36/64/92/345366492.db2.gz ZBBKHRNJKIMMJN-QMMMGPOBSA-N 0 0 178.235 2.608 10 30 AFEERN CCC[C@H](C#N)C1CCC1 306495375 345369092 /nfs/dbraw/zinc/36/90/92/345369092.db2.gz VGTJIPLFZNXOKG-SECBINFHSA-N 0 0 137.226 2.726 10 30 AFEERN CCC[C@@H](C#N)C1CCC1 306495376 345369124 /nfs/dbraw/zinc/36/91/24/345369124.db2.gz VGTJIPLFZNXOKG-VIFPVBQESA-N 0 0 137.226 2.726 10 30 AFEERN C=CCNc1ccc2sncc2c1 306496079 345370101 /nfs/dbraw/zinc/37/01/01/345370101.db2.gz WTIWYYNEJDOBOV-UHFFFAOYSA-N 0 0 190.271 2.894 10 30 AFEERN C/C=C/C(=O)C1=CC[C@H](C)CC1 306505779 345379492 /nfs/dbraw/zinc/37/94/92/345379492.db2.gz FUPMOAKRDJDROM-NWALNABHSA-N 0 0 164.248 2.878 10 30 AFEERN C/C=C/C(=O)C1=CC[C@@H](C)CC1 306505777 345379562 /nfs/dbraw/zinc/37/95/62/345379562.db2.gz FUPMOAKRDJDROM-CDAZIORVSA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@@H](C)Sc1nc(C)cc(C)n1 306508642 345380778 /nfs/dbraw/zinc/38/07/78/345380778.db2.gz ANGGQLBUHDAWGC-SECBINFHSA-N 0 0 194.303 2.760 10 30 AFEERN C=C[C@H](C)Sc1nc(C)cc(C)n1 306508643 345380781 /nfs/dbraw/zinc/38/07/81/345380781.db2.gz ANGGQLBUHDAWGC-VIFPVBQESA-N 0 0 194.303 2.760 10 30 AFEERN Cc1csc(C(=O)C2=COCC2)c1 306509755 345381973 /nfs/dbraw/zinc/38/19/73/345381973.db2.gz CCHOQHJTNIZXMA-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN CC#C[C@@H](O)c1ccc(Cl)cc1F 306510023 345382026 /nfs/dbraw/zinc/38/20/26/345382026.db2.gz KICXBMNTJQBYET-SNVBAGLBSA-N 0 0 198.624 2.536 10 30 AFEERN CC#C[C@H](O)c1ccc(Cl)cc1F 306510022 345382061 /nfs/dbraw/zinc/38/20/61/345382061.db2.gz KICXBMNTJQBYET-JTQLQIEISA-N 0 0 198.624 2.536 10 30 AFEERN C=C(C)C(=O)[C@@H]1CC2CCC1CC2 306514378 345385243 /nfs/dbraw/zinc/38/52/43/345385243.db2.gz UJTJMEKOZFZFDG-VQXHTEKXSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)C(=O)[C@H]1CC2CCC1CC2 306514377 345385438 /nfs/dbraw/zinc/38/54/38/345385438.db2.gz UJTJMEKOZFZFDG-ILDUYXDCSA-N 0 0 178.275 2.958 10 30 AFEERN N#Cc1cc(F)c(F)c(C(F)F)c1 306514757 345385452 /nfs/dbraw/zinc/38/54/52/345385452.db2.gz BGZBBNWXFDXZHW-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN Cc1cc(F)c(CC#N)c(Cl)c1 306516197 345387576 /nfs/dbraw/zinc/38/75/76/345387576.db2.gz BFESUFCKXWJDAW-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN C#CCNc1cc(Cl)c(C)cc1F 306516392 345387622 /nfs/dbraw/zinc/38/76/22/345387622.db2.gz XWOVHWCBPGWMBM-UHFFFAOYSA-N 0 0 197.640 2.833 10 30 AFEERN C#CCOc1cc(F)c(C)cc1Cl 306518093 345389095 /nfs/dbraw/zinc/38/90/95/345389095.db2.gz BNVKHCWAEFZYBK-UHFFFAOYSA-N 0 0 198.624 2.800 10 30 AFEERN C=C(C(F)(F)F)[C@@]1(O)CCC[C@@H]1C 306518330 345389840 /nfs/dbraw/zinc/38/98/40/345389840.db2.gz CZAFGBGQVKHJRY-POYBYMJQSA-N 0 0 194.196 2.656 10 30 AFEERN C=C(C(F)(F)F)[C@@]1(O)CCC[C@H]1C 306518325 345389871 /nfs/dbraw/zinc/38/98/71/345389871.db2.gz CZAFGBGQVKHJRY-HTRCEHHLSA-N 0 0 194.196 2.656 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)CCC[C@H]1C 306518335 345389940 /nfs/dbraw/zinc/38/99/40/345389940.db2.gz CZAFGBGQVKHJRY-SVRRBLITSA-N 0 0 194.196 2.656 10 30 AFEERN CC(=O)/C=C/c1csc(C)c1 306518552 345390031 /nfs/dbraw/zinc/39/00/31/345390031.db2.gz BWFDXZKNEAJUFL-ONEGZZNKSA-N 0 0 166.245 2.659 10 30 AFEERN C=C(C)[C@@H](O)c1ccc(N)cc1Cl 306518766 345390575 /nfs/dbraw/zinc/39/05/75/345390575.db2.gz HKUQAZAWRUDWJU-SNVBAGLBSA-N 0 0 197.665 2.532 10 30 AFEERN C=C(C)[C@H](O)c1ccc(N)cc1Cl 306518765 345390617 /nfs/dbraw/zinc/39/06/17/345390617.db2.gz HKUQAZAWRUDWJU-JTQLQIEISA-N 0 0 197.665 2.532 10 30 AFEERN C=C1CCCN(c2ncc(C)s2)C1 306519136 345390644 /nfs/dbraw/zinc/39/06/44/345390644.db2.gz IFLLBCIAYNXSOV-UHFFFAOYSA-N 0 0 194.303 2.608 10 30 AFEERN C=C(C)CN(C)c1c(C)cccc1N 306521596 345393650 /nfs/dbraw/zinc/39/36/50/345393650.db2.gz NLHUWHLSUXABGV-UHFFFAOYSA-N 0 0 190.290 2.590 10 30 AFEERN C=CCNc1nc(C2CC2)c(C)s1 306521711 345393670 /nfs/dbraw/zinc/39/36/70/345393670.db2.gz GNFSMZUOVHLGLM-UHFFFAOYSA-N 0 0 194.303 2.927 10 30 AFEERN N#Cc1c(C(F)F)ccc(F)c1F 306522438 345394312 /nfs/dbraw/zinc/39/43/12/345394312.db2.gz PXIDSQLCDUXVNZ-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN N#Cc1cc(F)cc(F)c1C(F)F 306523911 345395880 /nfs/dbraw/zinc/39/58/80/345395880.db2.gz VZHMNCYAKPVHCL-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN C=C(C)CN(C)c1cccc(N)c1C 306523869 345395902 /nfs/dbraw/zinc/39/59/02/345395902.db2.gz VQCMSYDKMMUMQR-UHFFFAOYSA-N 0 0 190.290 2.590 10 30 AFEERN CC1([C@H](C#N)NC2CC2)CCCCC1 306523970 345396081 /nfs/dbraw/zinc/39/60/81/345396081.db2.gz WKVVKKCZYUJEET-NSHDSACASA-N 0 0 192.306 2.601 10 30 AFEERN CC1([C@@H](C#N)NC2CC2)CCCCC1 306523969 345396251 /nfs/dbraw/zinc/39/62/51/345396251.db2.gz WKVVKKCZYUJEET-LLVKDONJSA-N 0 0 192.306 2.601 10 30 AFEERN C=C(C)CN(C)c1cccc(C)c1N 306524159 345396410 /nfs/dbraw/zinc/39/64/10/345396410.db2.gz XKZGSVWSAVNKTG-UHFFFAOYSA-N 0 0 190.290 2.590 10 30 AFEERN C=C(C)CN(C)c1cc(C)ccc1N 306524668 345397258 /nfs/dbraw/zinc/39/72/58/345397258.db2.gz ZNURTCVNVIJMDJ-UHFFFAOYSA-N 0 0 190.290 2.590 10 30 AFEERN CC#C[C@H](O)[C@H](C)C1CCCCC1 306525397 345397620 /nfs/dbraw/zinc/39/76/20/345397620.db2.gz PXSLWJUHBJXQGU-PWSUYJOCSA-N 0 0 180.291 2.587 10 30 AFEERN CC#C[C@@H](O)[C@H](C)C1CCCCC1 306525398 345397625 /nfs/dbraw/zinc/39/76/25/345397625.db2.gz PXSLWJUHBJXQGU-ZYHUDNBSSA-N 0 0 180.291 2.587 10 30 AFEERN CC#C[C@@H](O)[C@@H](C)C1CCCCC1 306525395 345397687 /nfs/dbraw/zinc/39/76/87/345397687.db2.gz PXSLWJUHBJXQGU-CMPLNLGQSA-N 0 0 180.291 2.587 10 30 AFEERN CC#C[C@H](O)[C@@H](C)C1CCCCC1 306525396 345397734 /nfs/dbraw/zinc/39/77/34/345397734.db2.gz PXSLWJUHBJXQGU-JQWIXIFHSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(C)C[C@@H](O)c1cc(C)cc(N)c1 306529823 345401299 /nfs/dbraw/zinc/40/12/99/345401299.db2.gz IPXGMRQAPDECOP-GFCCVEGCSA-N 0 0 191.274 2.577 10 30 AFEERN C=C(C)C[C@H](O)c1cc(C)cc(N)c1 306529824 345401413 /nfs/dbraw/zinc/40/14/13/345401413.db2.gz IPXGMRQAPDECOP-LBPRGKRZSA-N 0 0 191.274 2.577 10 30 AFEERN CC[C@H](C)ON=C1CCCC1 306530421 345401982 /nfs/dbraw/zinc/40/19/82/345401982.db2.gz DKOPCHHPLURUNF-QMMMGPOBSA-N 0 0 155.241 2.732 10 30 AFEERN C=C(CC)C[C@@]1(C#N)CCCCC1=O 306530449 345401960 /nfs/dbraw/zinc/40/19/60/345401960.db2.gz DNDXGVLIKGFFFA-GFCCVEGCSA-N 0 0 191.274 2.996 10 30 AFEERN C=C(CC)C[C@]1(C#N)CCCCC1=O 306530450 345402065 /nfs/dbraw/zinc/40/20/65/345402065.db2.gz DNDXGVLIKGFFFA-LBPRGKRZSA-N 0 0 191.274 2.996 10 30 AFEERN CC[C@@H](C)ON=C1CCCC1 306530420 345402123 /nfs/dbraw/zinc/40/21/23/345402123.db2.gz DKOPCHHPLURUNF-MRVPVSSYSA-N 0 0 155.241 2.732 10 30 AFEERN CC[C@H](C)c1ncc(C#N)c(Cl)n1 306530919 345402607 /nfs/dbraw/zinc/40/26/07/345402607.db2.gz KCYGUPDUSHCXHW-LURJTMIESA-N 0 0 195.653 2.515 10 30 AFEERN C=C(C(=O)C1CCCC1)C(F)(F)F 306533602 345405866 /nfs/dbraw/zinc/40/58/66/345405866.db2.gz NLGHRTYTMJRHDN-UHFFFAOYSA-N 0 0 192.180 2.864 10 30 AFEERN CC#CCOc1cc(F)c(F)cc1C 306533770 345406455 /nfs/dbraw/zinc/40/64/55/345406455.db2.gz HWFVDTLOWOXNJC-UHFFFAOYSA-N 0 0 196.196 2.675 10 30 AFEERN C=CCNc1cc(C#N)cc(F)c1C 306533741 345406533 /nfs/dbraw/zinc/40/65/33/345406533.db2.gz DEGWUUVUIVIFAE-UHFFFAOYSA-N 0 0 190.221 2.604 10 30 AFEERN CC(C)[C@H](C)n1cccc1C#N 306534424 345406848 /nfs/dbraw/zinc/40/68/48/345406848.db2.gz IXFAVWMDWDIHBA-VIFPVBQESA-N 0 0 162.236 2.577 10 30 AFEERN CC(C)[C@@H](C)n1cccc1C#N 306534423 345407226 /nfs/dbraw/zinc/40/72/26/345407226.db2.gz IXFAVWMDWDIHBA-SECBINFHSA-N 0 0 162.236 2.577 10 30 AFEERN CCC[C@@H]1CCC[C@H](CC#N)O1 306535981 345408784 /nfs/dbraw/zinc/40/87/84/345408784.db2.gz PYMWCHPGVWGDBX-NXEZZACHSA-N 0 0 167.252 2.638 10 30 AFEERN CCC[C@@H]1CCC[C@@H](CC#N)O1 306535987 345408833 /nfs/dbraw/zinc/40/88/33/345408833.db2.gz PYMWCHPGVWGDBX-ZJUUUORDSA-N 0 0 167.252 2.638 10 30 AFEERN CCC[C@H]1CCC[C@H](CC#N)O1 306535985 345408970 /nfs/dbraw/zinc/40/89/70/345408970.db2.gz PYMWCHPGVWGDBX-VHSXEESVSA-N 0 0 167.252 2.638 10 30 AFEERN CCC[C@H]1CCC[C@@H](CC#N)O1 306535983 345409010 /nfs/dbraw/zinc/40/90/10/345409010.db2.gz PYMWCHPGVWGDBX-UWVGGRQHSA-N 0 0 167.252 2.638 10 30 AFEERN CC[C@@H]1CCC[C@@](C#N)(C[C@H](C)O)C1 306536368 345409412 /nfs/dbraw/zinc/40/94/12/345409412.db2.gz KLRIBYABILTUIL-QJPTWQEYSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1CCC[C@](C#N)(C[C@H](C)O)C1 306536371 345409487 /nfs/dbraw/zinc/40/94/87/345409487.db2.gz KLRIBYABILTUIL-TUAOUCFPSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1CCC[C@](C#N)(C[C@@H](C)O)C1 306536374 345409596 /nfs/dbraw/zinc/40/95/96/345409596.db2.gz KLRIBYABILTUIL-UTUOFQBUSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1CCC[C@@](C#N)(C[C@@H](C)O)C1 306536366 345409686 /nfs/dbraw/zinc/40/96/86/345409686.db2.gz KLRIBYABILTUIL-IJLUTSLNSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1ccc(F)cc1CC1(C#N)CC1 306539595 345413937 /nfs/dbraw/zinc/41/39/37/345413937.db2.gz NKWYFWPMTGFSRX-UHFFFAOYSA-N 0 0 189.233 2.980 10 30 AFEERN C[C@@H](C#N)[C@H](O)C1CCC(C)(C)CC1 306548099 345422481 /nfs/dbraw/zinc/42/24/81/345422481.db2.gz CKCVBQSACXRAJE-ONGXEEELSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H](C#N)[C@H](O)C1CCC(C)(C)CC1 306548093 345422573 /nfs/dbraw/zinc/42/25/73/345422573.db2.gz CKCVBQSACXRAJE-KOLCDFICSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H](C#N)[C@@H](O)C1CCC(C)(C)CC1 306548090 345422585 /nfs/dbraw/zinc/42/25/85/345422585.db2.gz CKCVBQSACXRAJE-GXSJLCMTSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H](C#N)[C@@H](O)C1CCC(C)(C)CC1 306548096 345422625 /nfs/dbraw/zinc/42/26/25/345422625.db2.gz CKCVBQSACXRAJE-MWLCHTKSSA-N 0 0 195.306 2.723 10 30 AFEERN C#Cc1ccc(C(C)=O)c(Cl)c1 306548063 345422725 /nfs/dbraw/zinc/42/27/25/345422725.db2.gz BGIIHKPKRRRUPD-UHFFFAOYSA-N 0 0 178.618 2.524 10 30 AFEERN CC1(C)C[C@@H]1[C@](C)(Cl)C#N 306550404 345425968 /nfs/dbraw/zinc/42/59/68/345425968.db2.gz COQDJMTVFYQEJG-POYBYMJQSA-N 0 0 157.644 2.554 10 30 AFEERN CC1(C)C[C@H]1[C@](C)(Cl)C#N 306550401 345426100 /nfs/dbraw/zinc/42/61/00/345426100.db2.gz COQDJMTVFYQEJG-HTRCEHHLSA-N 0 0 157.644 2.554 10 30 AFEERN CC1(C)C[C@H]1[C@@](C)(Cl)C#N 306550406 345426109 /nfs/dbraw/zinc/42/61/09/345426109.db2.gz COQDJMTVFYQEJG-SVRRBLITSA-N 0 0 157.644 2.554 10 30 AFEERN CC1(C)C[C@@H]1[C@@](C)(Cl)C#N 306550408 345426140 /nfs/dbraw/zinc/42/61/40/345426140.db2.gz COQDJMTVFYQEJG-XPUUQOCRSA-N 0 0 157.644 2.554 10 30 AFEERN CC#C[C@@](C)(O)c1cc(C)cc(C)c1 306551308 345426649 /nfs/dbraw/zinc/42/66/49/345426649.db2.gz APJBDIZTYIWJQO-CYBMUJFWSA-N 0 0 188.270 2.534 10 30 AFEERN CC#C[C@](C)(O)c1cc(C)cc(C)c1 306551313 345426710 /nfs/dbraw/zinc/42/67/10/345426710.db2.gz APJBDIZTYIWJQO-ZDUSSCGKSA-N 0 0 188.270 2.534 10 30 AFEERN C[C@@H]1CCC[C@@](O)(C2(C#N)CC2)CC1 306551667 345426914 /nfs/dbraw/zinc/42/69/14/345426914.db2.gz JXGVWTMAWPWJMA-PWSUYJOCSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H]1CCC[C@](O)(C2(C#N)CC2)CC1 306551670 345426944 /nfs/dbraw/zinc/42/69/44/345426944.db2.gz JXGVWTMAWPWJMA-ZYHUDNBSSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H]1CCC[C@](O)(C2(C#N)CC2)CC1 306551663 345426992 /nfs/dbraw/zinc/42/69/92/345426992.db2.gz JXGVWTMAWPWJMA-CMPLNLGQSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H]1CCC[C@@](O)(C2(C#N)CC2)CC1 306551665 345427023 /nfs/dbraw/zinc/42/70/23/345427023.db2.gz JXGVWTMAWPWJMA-JQWIXIFHSA-N 0 0 193.290 2.621 10 30 AFEERN N#Cc1c(Cl)cccc1NCCF 306552165 345427464 /nfs/dbraw/zinc/42/74/64/345427464.db2.gz ASQPIPMPOLSXEF-UHFFFAOYSA-N 0 0 198.628 2.593 10 30 AFEERN C=C(C)C(=O)c1cc(CC)ccc1N 306553424 345429051 /nfs/dbraw/zinc/42/90/51/345429051.db2.gz BJTGJVBBXMRFKH-UHFFFAOYSA-N 0 0 189.258 2.590 10 30 AFEERN O=C[C@@H]1CCC[C@@H](c2cccs2)O1 306554009 345429365 /nfs/dbraw/zinc/42/93/65/345429365.db2.gz LGOLYEPRCZGDDO-IUCAKERBSA-N 0 0 196.271 2.557 10 30 AFEERN O=C[C@@H]1CCC[C@H](c2cccs2)O1 306554008 345429429 /nfs/dbraw/zinc/42/94/29/345429429.db2.gz LGOLYEPRCZGDDO-DTWKUNHWSA-N 0 0 196.271 2.557 10 30 AFEERN O=C[C@H]1CCC[C@@H](c2cccs2)O1 306554006 345429493 /nfs/dbraw/zinc/42/94/93/345429493.db2.gz LGOLYEPRCZGDDO-BDAKNGLRSA-N 0 0 196.271 2.557 10 30 AFEERN O=C[C@H]1CCC[C@H](c2cccs2)O1 306554010 345429769 /nfs/dbraw/zinc/42/97/69/345429769.db2.gz LGOLYEPRCZGDDO-RKDXNWHRSA-N 0 0 196.271 2.557 10 30 AFEERN CSc1cc(F)c(F)c(C#N)c1 306555722 345431236 /nfs/dbraw/zinc/43/12/36/345431236.db2.gz CRZMZXKOFNRNPP-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CC[C@@H](C#N)c1ccccc1C#N 306556597 345432305 /nfs/dbraw/zinc/43/23/05/345432305.db2.gz MWDAHPHANAUSJN-VIFPVBQESA-N 0 0 170.215 2.575 10 30 AFEERN CC[C@H](C#N)c1ccccc1C#N 306556596 345432501 /nfs/dbraw/zinc/43/25/01/345432501.db2.gz MWDAHPHANAUSJN-SECBINFHSA-N 0 0 170.215 2.575 10 30 AFEERN C=C(C)[C@](C)(O)CCCC 306562357 345437938 /nfs/dbraw/zinc/43/79/38/345437938.db2.gz UKCNORWFCPLNFD-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN C=C(C)[C@@](C)(O)CCCC 306562359 345437980 /nfs/dbraw/zinc/43/79/80/345437980.db2.gz UKCNORWFCPLNFD-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN CC1(C)CC[C@]2(CC[C@@](C)(C=O)O2)C1 306563961 345439926 /nfs/dbraw/zinc/43/99/26/345439926.db2.gz PYEPUNJNUQXOSQ-RYUDHWBXSA-N 0 0 196.290 2.703 10 30 AFEERN CC1(C)CC[C@@]2(CC[C@](C)(C=O)O2)C1 306563962 345439988 /nfs/dbraw/zinc/43/99/88/345439988.db2.gz PYEPUNJNUQXOSQ-VXGBXAGGSA-N 0 0 196.290 2.703 10 30 AFEERN CC1(C)CC[C@@]2(CC[C@@](C)(C=O)O2)C1 306563960 345440276 /nfs/dbraw/zinc/44/02/76/345440276.db2.gz PYEPUNJNUQXOSQ-NWDGAFQWSA-N 0 0 196.290 2.703 10 30 AFEERN C[C@@H]1CC[C@]1(O)C1(C#N)CCCCC1 306565582 345441746 /nfs/dbraw/zinc/44/17/46/345441746.db2.gz XWVPCWRAMAXFIV-ZYHUDNBSSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H]1CC[C@@]1(O)C1(C#N)CCCCC1 306565581 345441797 /nfs/dbraw/zinc/44/17/97/345441797.db2.gz XWVPCWRAMAXFIV-PWSUYJOCSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H]1CC[C@@]1(O)C1(C#N)CCCCC1 306565580 345441826 /nfs/dbraw/zinc/44/18/26/345441826.db2.gz XWVPCWRAMAXFIV-JQWIXIFHSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H]1CC[C@]1(O)C1(C#N)CCCCC1 306565579 345441847 /nfs/dbraw/zinc/44/18/47/345441847.db2.gz XWVPCWRAMAXFIV-CMPLNLGQSA-N 0 0 193.290 2.621 10 30 AFEERN Cc1cccnc1CC1(C#N)CCC1 306566295 345442983 /nfs/dbraw/zinc/44/29/83/345442983.db2.gz SFQYFQUMOAFHGO-UHFFFAOYSA-N 0 0 186.258 2.626 10 30 AFEERN C=CCN(C)c1cccc(C)c1C 306566626 345443079 /nfs/dbraw/zinc/44/30/79/345443079.db2.gz AVBRKYOPENNKMS-UHFFFAOYSA-N 0 0 175.275 2.926 10 30 AFEERN C[C@@H](C#N)C(=O)[C@H]1CC2CCC1CC2 306569581 345446482 /nfs/dbraw/zinc/44/64/82/345446482.db2.gz WYQYGXUTVPSTNO-PMUOWJKOSA-N 0 0 191.274 2.541 10 30 AFEERN C[C@H](C#N)C(=O)[C@@H]1CC2CCC1CC2 306569579 345446509 /nfs/dbraw/zinc/44/65/09/345446509.db2.gz WYQYGXUTVPSTNO-AGVGLQIMSA-N 0 0 191.274 2.541 10 30 AFEERN C[C@@H](C#N)C(=O)[C@@H]1CC2CCC1CC2 306569580 345446730 /nfs/dbraw/zinc/44/67/30/345446730.db2.gz WYQYGXUTVPSTNO-IDWGSYCQSA-N 0 0 191.274 2.541 10 30 AFEERN C[C@H](C#N)C(=O)[C@H]1CC2CCC1CC2 306569582 345446751 /nfs/dbraw/zinc/44/67/51/345446751.db2.gz WYQYGXUTVPSTNO-SFXRXQKFSA-N 0 0 191.274 2.541 10 30 AFEERN Cc1cc(F)c(F)cc1O[C@@H](C)C#N 306573748 345450662 /nfs/dbraw/zinc/45/06/62/345450662.db2.gz HRIJTABPQMXXKG-ZETCQYMHSA-N 0 0 197.184 2.564 10 30 AFEERN Cc1cc(F)c(F)cc1O[C@H](C)C#N 306573746 345450728 /nfs/dbraw/zinc/45/07/28/345450728.db2.gz HRIJTABPQMXXKG-SSDOTTSWSA-N 0 0 197.184 2.564 10 30 AFEERN Cc1c(F)ccc(Cl)c1CC#N 306574801 345451897 /nfs/dbraw/zinc/45/18/97/345451897.db2.gz ISESDBUYUBLJQR-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN CC[C@@](O)([C@@H]1CC1(C)C)C(C)(C)C#N 306577609 345455304 /nfs/dbraw/zinc/45/53/04/345455304.db2.gz LLUKWKGDGGJONC-BXKDBHETSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@](O)([C@@H]1CC1(C)C)C(C)(C)C#N 306577612 345455397 /nfs/dbraw/zinc/45/53/97/345455397.db2.gz LLUKWKGDGGJONC-SKDRFNHKSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@](O)([C@H]1CC1(C)C)C(C)(C)C#N 306577610 345455398 /nfs/dbraw/zinc/45/53/98/345455398.db2.gz LLUKWKGDGGJONC-CABZTGNLSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@](O)([C@H]1CC1(C)C)C(C)(C)C#N 306577611 345455459 /nfs/dbraw/zinc/45/54/59/345455459.db2.gz LLUKWKGDGGJONC-JOYOIKCWSA-N 0 0 195.306 2.723 10 30 AFEERN NN=C1CC(c2cccc(Cl)c2)C1 306581618 345458771 /nfs/dbraw/zinc/45/87/71/345458771.db2.gz ZQHJFUJSEVWIFN-UHFFFAOYSA-N 0 0 194.665 2.532 10 30 AFEERN CC[C@]1(c2cccc(C)c2)CO1 306581593 345458860 /nfs/dbraw/zinc/45/88/60/345458860.db2.gz ZNQBCVLWFYGJJE-LLVKDONJSA-N 0 0 162.232 2.631 10 30 AFEERN CC1CCC2(CC1)CC[C@@](C)(C=O)O2 306581991 345459224 /nfs/dbraw/zinc/45/92/24/345459224.db2.gz CPQIUQIXVKSRFA-CXQJBGSLSA-N 0 0 196.290 2.703 10 30 AFEERN CC1CCC2(CC1)CC[C@](C)(C=O)O2 306582001 345459321 /nfs/dbraw/zinc/45/93/21/345459321.db2.gz CPQIUQIXVKSRFA-MOENNCHZSA-N 0 0 196.290 2.703 10 30 AFEERN CCN(C)N=C1CCCCCC1 306583180 345460450 /nfs/dbraw/zinc/46/04/50/345460450.db2.gz CXZHLLSOOGVLFJ-UHFFFAOYSA-N 0 0 168.284 2.648 10 30 AFEERN CC/C(=C\C(C)=O)[C@@H]1CC1(C)C 306586020 345462615 /nfs/dbraw/zinc/46/26/15/345462615.db2.gz SYLFJQNPVCKVNE-ZKXNXJMVSA-N 0 0 166.264 2.958 10 30 AFEERN CC/C(=C\C(C)=O)[C@H]1CC1(C)C 306586017 345462673 /nfs/dbraw/zinc/46/26/73/345462673.db2.gz SYLFJQNPVCKVNE-OLKPEBQYSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)O[C@@](C)(C#N)[C@@H]1CC1(C)C 306586717 345463834 /nfs/dbraw/zinc/46/38/34/345463834.db2.gz RPTHDDHFXXSSHN-KOLCDFICSA-N 0 0 181.279 2.740 10 30 AFEERN CC(C)O[C@@](C)(C#N)[C@H]1CC1(C)C 306586719 345463846 /nfs/dbraw/zinc/46/38/46/345463846.db2.gz RPTHDDHFXXSSHN-ONGXEEELSA-N 0 0 181.279 2.740 10 30 AFEERN CC(C)O[C@](C)(C#N)[C@H]1CC1(C)C 306586716 345463851 /nfs/dbraw/zinc/46/38/51/345463851.db2.gz RPTHDDHFXXSSHN-GXSJLCMTSA-N 0 0 181.279 2.740 10 30 AFEERN CC(C)O[C@](C)(C#N)[C@@H]1CC1(C)C 306586718 345463912 /nfs/dbraw/zinc/46/39/12/345463912.db2.gz RPTHDDHFXXSSHN-MWLCHTKSSA-N 0 0 181.279 2.740 10 30 AFEERN CC1CC2(CCC[C@@H](CC#N)O2)C1 306587062 345464096 /nfs/dbraw/zinc/46/40/96/345464096.db2.gz LWXPAJPKAMPELH-YVNMAJEFSA-N 0 0 179.263 2.638 10 30 AFEERN CC1CC2(CCC[C@H](CC#N)O2)C1 306587061 345464103 /nfs/dbraw/zinc/46/41/03/345464103.db2.gz LWXPAJPKAMPELH-HSOILSAZSA-N 0 0 179.263 2.638 10 30 AFEERN C=C(C)[C@H](O)c1cccc(F)c1C 306587964 345465001 /nfs/dbraw/zinc/46/50/01/345465001.db2.gz SRGFCKNEKLCBCF-NSHDSACASA-N 0 0 180.222 2.744 10 30 AFEERN C=C(C)[C@@H](O)c1cccc(F)c1C 306587963 345465118 /nfs/dbraw/zinc/46/51/18/345465118.db2.gz SRGFCKNEKLCBCF-LLVKDONJSA-N 0 0 180.222 2.744 10 30 AFEERN C=C(C)C[C@H](O)c1cnc(C)cc1C 306588548 345465581 /nfs/dbraw/zinc/46/55/81/345465581.db2.gz VWRPCBZZPHKUNJ-LBPRGKRZSA-N 0 0 191.274 2.698 10 30 AFEERN NN=C1CC(c2ccccc2Cl)C1 306592044 345469202 /nfs/dbraw/zinc/46/92/02/345469202.db2.gz QONLHHAHJMMZCW-UHFFFAOYSA-N 0 0 194.665 2.532 10 30 AFEERN N#C[C@@H](CNc1ccccc1)C1CC1 306592216 345469253 /nfs/dbraw/zinc/46/92/53/345469253.db2.gz ZFSDRYXGNRVHDW-NSHDSACASA-N 0 0 186.258 2.648 10 30 AFEERN Clc1ccnc(N=NCC2CC2)c1 306591768 345469342 /nfs/dbraw/zinc/46/93/42/345469342.db2.gz QHHLSAWKGUPCJP-WUXMJOGZSA-N 0 0 195.653 2.543 10 30 AFEERN N#C[C@H](CNc1ccccc1)C1CC1 306592215 345469379 /nfs/dbraw/zinc/46/93/79/345469379.db2.gz ZFSDRYXGNRVHDW-LLVKDONJSA-N 0 0 186.258 2.648 10 30 AFEERN Cc1cc(F)c(Cl)c(CC#N)c1 306593045 345470514 /nfs/dbraw/zinc/47/05/14/345470514.db2.gz DMLVXXLHWLGEJF-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN CC[C@H]1C[C@H]1C(=O)C=C(C)C 306593697 345470784 /nfs/dbraw/zinc/47/07/84/345470784.db2.gz FAADCLSVAVJFIS-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@@H]1C[C@@H]1C(=O)C=C(C)C 306593696 345470786 /nfs/dbraw/zinc/47/07/86/345470786.db2.gz FAADCLSVAVJFIS-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CC[C@H]1Nc1ccc(C#N)cc1 306593847 345470811 /nfs/dbraw/zinc/47/08/11/345470811.db2.gz DJGUCBLEUHQGES-BXKDBHETSA-N 0 0 186.258 2.769 10 30 AFEERN C[C@H]1CC[C@H]1Nc1ccc(C#N)cc1 306593858 345470822 /nfs/dbraw/zinc/47/08/22/345470822.db2.gz DJGUCBLEUHQGES-JOYOIKCWSA-N 0 0 186.258 2.769 10 30 AFEERN CC[C@H]1C[C@@H]1C(=O)C=C(C)C 306593698 345470848 /nfs/dbraw/zinc/47/08/48/345470848.db2.gz FAADCLSVAVJFIS-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CC[C@@H]1Nc1ccc(C#N)cc1 306593865 345470849 /nfs/dbraw/zinc/47/08/49/345470849.db2.gz DJGUCBLEUHQGES-SKDRFNHKSA-N 0 0 186.258 2.769 10 30 AFEERN CC[C@@H]1C[C@H]1C(=O)C=C(C)C 306593699 345470905 /nfs/dbraw/zinc/47/09/05/345470905.db2.gz FAADCLSVAVJFIS-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1CC[C@@H]1Nc1ccc(C#N)cc1 306593852 345470913 /nfs/dbraw/zinc/47/09/13/345470913.db2.gz DJGUCBLEUHQGES-CABZTGNLSA-N 0 0 186.258 2.769 10 30 AFEERN Cc1csc(C(=O)C2=CCCO2)c1 306595199 345471940 /nfs/dbraw/zinc/47/19/40/345471940.db2.gz UAKIJOLGCNZZJO-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN CC(C)(C)CC[C@]1(C#N)CCCCN1 306595942 345472170 /nfs/dbraw/zinc/47/21/70/345472170.db2.gz MAVKQSNEAMUYCF-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN CC(C)(C)CC[C@@]1(C#N)CCCCN1 306595941 345472388 /nfs/dbraw/zinc/47/23/88/345472388.db2.gz MAVKQSNEAMUYCF-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN CC=CC(=O)[C@H](C)c1ccccc1 306599005 345475182 /nfs/dbraw/zinc/47/51/82/345475182.db2.gz QUUGXHQKYDVXIJ-KFEJWOFMSA-N 0 0 174.243 2.935 10 30 AFEERN CC=CC(=O)[C@@H](C)c1ccccc1 306599004 345475260 /nfs/dbraw/zinc/47/52/60/345475260.db2.gz QUUGXHQKYDVXIJ-HTZNOQTFSA-N 0 0 174.243 2.935 10 30 AFEERN CCC1(Nc2ccccc2C#N)CC1 306599529 345475742 /nfs/dbraw/zinc/47/57/42/345475742.db2.gz RNDWGRUSXYKNQY-UHFFFAOYSA-N 0 0 186.258 2.913 10 30 AFEERN C#CCNc1ccc(SC)c(F)c1 306600626 345477020 /nfs/dbraw/zinc/47/70/20/345477020.db2.gz ZYWIMGUYKDGCDW-UHFFFAOYSA-N 0 0 195.262 2.593 10 30 AFEERN CC[C@@H]1CCC[C@@]2(CC[C@@H](C=O)O2)C1 306602231 345477911 /nfs/dbraw/zinc/47/79/11/345477911.db2.gz VNITXAAZAFWSLH-GRYCIOLGSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@@H]1CCC[C@]2(CC[C@H](C=O)O2)C1 306602233 345478132 /nfs/dbraw/zinc/47/81/32/345478132.db2.gz VNITXAAZAFWSLH-UTUOFQBUSA-N 0 0 196.290 2.703 10 30 AFEERN C#CCCC(=O)c1cc(C)cs1 306602367 345478098 /nfs/dbraw/zinc/47/80/98/345478098.db2.gz LEFQCYQSMJHFRJ-UHFFFAOYSA-N 0 0 178.256 2.653 10 30 AFEERN CC[C@@H]1CCC[C@@]2(CC[C@H](C=O)O2)C1 306602232 345478128 /nfs/dbraw/zinc/47/81/28/345478128.db2.gz VNITXAAZAFWSLH-IJLUTSLNSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@@H]1CCC[C@]2(CC[C@@H](C=O)O2)C1 306602234 345478144 /nfs/dbraw/zinc/47/81/44/345478144.db2.gz VNITXAAZAFWSLH-WOPDTQHZSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@@H]1C[C@H]1C(=O)C1=CCCC1 306603334 345478968 /nfs/dbraw/zinc/47/89/68/345478968.db2.gz MHFXNPULLVYHSQ-PSASIEDQSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@@H]1C[C@@H]1C(=O)C1=CCCC1 306603335 345479092 /nfs/dbraw/zinc/47/90/92/345479092.db2.gz MHFXNPULLVYHSQ-SCZZXKLOSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@H]1C[C@@H]1C(=O)C1=CCCC1 306603338 345479112 /nfs/dbraw/zinc/47/91/12/345479112.db2.gz MHFXNPULLVYHSQ-WPRPVWTQSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@H]1C[C@H]1C(=O)C1=CCCC1 306603337 345479270 /nfs/dbraw/zinc/47/92/70/345479270.db2.gz MHFXNPULLVYHSQ-WCBMZHEXSA-N 0 0 164.248 2.712 10 30 AFEERN CC#CCC[C@@H](O)c1cc(C)cs1 306604643 345480081 /nfs/dbraw/zinc/48/00/81/345480081.db2.gz OPUCRLPDRJJSJA-SNVBAGLBSA-N 0 0 194.299 2.893 10 30 AFEERN CC#CCC[C@H](O)c1cc(C)cs1 306604642 345480402 /nfs/dbraw/zinc/48/04/02/345480402.db2.gz OPUCRLPDRJJSJA-JTQLQIEISA-N 0 0 194.299 2.893 10 30 AFEERN CC(=O)/C(C)=C/Cc1ccccc1 306613020 345486756 /nfs/dbraw/zinc/48/67/56/345486756.db2.gz JUVDIZAIVKPCAC-CSKARUKUSA-N 0 0 174.243 2.764 10 30 AFEERN CC(C)(C#N)c1ccc(C(F)F)cn1 306615373 345488662 /nfs/dbraw/zinc/48/86/62/345488662.db2.gz NKXCSNZZOYPULS-UHFFFAOYSA-N 0 0 196.200 2.820 10 30 AFEERN C/C=C/C(=O)c1ccc(OC)c(C)c1 306625002 345496528 /nfs/dbraw/zinc/49/65/28/345496528.db2.gz GKBMSRJAAFJLEI-SNAWJCMRSA-N 0 0 190.242 2.762 10 30 AFEERN Cc1sc(N)c(C#N)c1C(C)(C)C 306626379 345498204 /nfs/dbraw/zinc/49/82/04/345498204.db2.gz HTRHJTSKBGDLRC-UHFFFAOYSA-N 0 0 194.303 2.808 10 30 AFEERN CC[C@]1(C2CCCC2)CC[C@@H](C=O)O1 306627245 345498634 /nfs/dbraw/zinc/49/86/34/345498634.db2.gz IPBXWYGOAABMMK-NWDGAFQWSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@@]1(C2CCCC2)CC[C@H](C=O)O1 306627058 345498674 /nfs/dbraw/zinc/49/86/74/345498674.db2.gz IPBXWYGOAABMMK-NEPJUHHUSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@@]1(C2CCCC2)CC[C@@H](C=O)O1 306627246 345498696 /nfs/dbraw/zinc/49/86/96/345498696.db2.gz IPBXWYGOAABMMK-RYUDHWBXSA-N 0 0 196.290 2.703 10 30 AFEERN CC[C@]1(C2CCCC2)CC[C@H](C=O)O1 306627247 345498710 /nfs/dbraw/zinc/49/87/10/345498710.db2.gz IPBXWYGOAABMMK-VXGBXAGGSA-N 0 0 196.290 2.703 10 30 AFEERN CCO[C@H](C#N)C1(C)CCCCC1 306630082 345500822 /nfs/dbraw/zinc/50/08/22/345500822.db2.gz KMRODKIYTMRSMN-SNVBAGLBSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@@H](C#N)C1(C)CCCCC1 306630081 345500828 /nfs/dbraw/zinc/50/08/28/345500828.db2.gz KMRODKIYTMRSMN-JTQLQIEISA-N 0 0 181.279 2.885 10 30 AFEERN CCC#C[C@H](C)SCC1CC1 306630277 345500848 /nfs/dbraw/zinc/50/08/48/345500848.db2.gz CQQUSVIJMZBQGN-VIFPVBQESA-N 0 0 168.305 2.932 10 30 AFEERN CCC#C[C@@H](C)SCC1CC1 306630273 345501011 /nfs/dbraw/zinc/50/10/11/345501011.db2.gz CQQUSVIJMZBQGN-SECBINFHSA-N 0 0 168.305 2.932 10 30 AFEERN O=C1C=C(c2cscn2)CCCC1 306634080 345502547 /nfs/dbraw/zinc/50/25/47/345502547.db2.gz UMWMBOHZXHTGTP-UHFFFAOYSA-N 0 0 193.271 2.670 10 30 AFEERN O=C[C@]1(C2CCCCCC2)CCOC1 306636078 345504262 /nfs/dbraw/zinc/50/42/62/345504262.db2.gz ARAGNELTBCOWQF-GFCCVEGCSA-N 0 0 196.290 2.562 10 30 AFEERN Cc1cc(C#N)ccc1NC1(C)CC1 306636137 345504565 /nfs/dbraw/zinc/50/45/65/345504565.db2.gz ATNORRRRXZKAAM-UHFFFAOYSA-N 0 0 186.258 2.831 10 30 AFEERN O=C[C@@]1(C2CCCCCC2)CCOC1 306636079 345504598 /nfs/dbraw/zinc/50/45/98/345504598.db2.gz ARAGNELTBCOWQF-LBPRGKRZSA-N 0 0 196.290 2.562 10 30 AFEERN CCOc1ccc(C)c(C#N)c1C 306637405 345505540 /nfs/dbraw/zinc/50/55/40/345505540.db2.gz BQDFLDIHJJVVPJ-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN N#CCS[C@@H]1CCc2ccccc21 306639729 345507948 /nfs/dbraw/zinc/50/79/48/345507948.db2.gz OIQDCDXIHZYBCV-LLVKDONJSA-N 0 0 189.283 2.931 10 30 AFEERN N#CCS[C@H]1CCc2ccccc21 306639739 345508191 /nfs/dbraw/zinc/50/81/91/345508191.db2.gz OIQDCDXIHZYBCV-NSHDSACASA-N 0 0 189.283 2.931 10 30 AFEERN C/C(=C\Cl)C[C@]1(C#N)CCCC1=O 306645138 345513980 /nfs/dbraw/zinc/51/39/80/345513980.db2.gz BBARZVCZGSIRGB-PCGIRMHASA-N 0 0 197.665 2.782 10 30 AFEERN C/C(=C\Cl)C[C@@]1(C#N)CCCC1=O 306645146 345514157 /nfs/dbraw/zinc/51/41/57/345514157.db2.gz BBARZVCZGSIRGB-QEHWCHDUSA-N 0 0 197.665 2.782 10 30 AFEERN C=C(C)CN(C)c1ccccc1F 306644791 345514165 /nfs/dbraw/zinc/51/41/65/345514165.db2.gz AYVVIICOWYRMLC-UHFFFAOYSA-N 0 0 179.238 2.838 10 30 AFEERN CC(C)=CC(=O)CC1(C)CC1 306644839 345514315 /nfs/dbraw/zinc/51/43/15/345514315.db2.gz DWDYMUVERZMJNL-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C/C=C/CSCCCC#N 306648428 345516664 /nfs/dbraw/zinc/51/66/64/345516664.db2.gz CJFIITHWSUBKDN-NSCUHMNNSA-N 0 0 155.266 2.599 10 30 AFEERN Cc1cc(F)cc(CC#N)c1Cl 306654263 345520418 /nfs/dbraw/zinc/52/04/18/345520418.db2.gz JOYKMYZJUUIYLH-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN CC#C[C@@]1(O)CCCC[C@H]1C(C)(C)C 306657888 345522988 /nfs/dbraw/zinc/52/29/88/345522988.db2.gz IIVHPXJTZSCJKK-WCQYABFASA-N 0 0 194.318 2.977 10 30 AFEERN CC#C[C@]1(O)CCCC[C@H]1C(C)(C)C 306657885 345522999 /nfs/dbraw/zinc/52/29/99/345522999.db2.gz IIVHPXJTZSCJKK-AAEUAGOBSA-N 0 0 194.318 2.977 10 30 AFEERN CC#C[C@@]1(O)CCCC[C@@H]1C(C)(C)C 306657886 345523048 /nfs/dbraw/zinc/52/30/48/345523048.db2.gz IIVHPXJTZSCJKK-DGCLKSJQSA-N 0 0 194.318 2.977 10 30 AFEERN CC#C[C@]1(O)CCCC[C@@H]1C(C)(C)C 306657890 345523531 /nfs/dbraw/zinc/52/35/31/345523531.db2.gz IIVHPXJTZSCJKK-YPMHNXCESA-N 0 0 194.318 2.977 10 30 AFEERN Cc1nc(C2=CCCCC2=O)cs1 306661535 345526176 /nfs/dbraw/zinc/52/61/76/345526176.db2.gz OHRLAXNWNAEWJY-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN C=C(C)CNc1cc(C)c(C)cc1N 306665854 345528801 /nfs/dbraw/zinc/52/88/01/345528801.db2.gz ULAISEHIGWBTHP-UHFFFAOYSA-N 0 0 190.290 2.874 10 30 AFEERN N#Cc1c(F)cc(F)cc1C(F)F 306672279 345533912 /nfs/dbraw/zinc/53/39/12/345533912.db2.gz ACGCAVVKZLVIFE-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN C=CC(=O)c1cc(F)cc(Cl)c1 306673124 345534302 /nfs/dbraw/zinc/53/43/02/345534302.db2.gz CBCGTVDEJCVMIO-UHFFFAOYSA-N 0 0 184.597 2.848 10 30 AFEERN N#CC1(Cc2ccnc(Cl)c2)CC1 306673273 345534934 /nfs/dbraw/zinc/53/49/34/345534934.db2.gz NFKFOJLBCQZTIB-UHFFFAOYSA-N 0 0 192.649 2.581 10 30 AFEERN C[C@@H]1CCC[C@](C#N)([C@@H](C)[C@@H](C)O)C1 306675407 345537581 /nfs/dbraw/zinc/53/75/81/345537581.db2.gz SLQAJOILVYGXIN-KXNHARMFSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H](O)[C@H](C)[C@@]1(C#N)CCC[C@@H](C)C1 306675408 345537596 /nfs/dbraw/zinc/53/75/96/345537596.db2.gz SLQAJOILVYGXIN-RHYQMDGZSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]([C@@H](C)O)[C@@]1(C#N)CCC[C@@H](C)C1 306675406 345537622 /nfs/dbraw/zinc/53/76/22/345537622.db2.gz SLQAJOILVYGXIN-KKOKHZNYSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H](O)[C@@H](C)[C@@]1(C#N)CCC[C@@H](C)C1 306675409 345537783 /nfs/dbraw/zinc/53/77/83/345537783.db2.gz SLQAJOILVYGXIN-WYUUTHIRSA-N 0 0 195.306 2.723 10 30 AFEERN C=C(C)CCNc1ccc(C)cc1N 306678889 345541178 /nfs/dbraw/zinc/54/11/78/345541178.db2.gz AMNIUTYFNZNCNE-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C=C[C@H](O)c1csc(Cl)c1 306679513 345541549 /nfs/dbraw/zinc/54/15/49/345541549.db2.gz IGASRARSHMSSRQ-LURJTMIESA-N 0 0 174.652 2.621 10 30 AFEERN C=C[C@@H](O)c1csc(Cl)c1 306679514 345541795 /nfs/dbraw/zinc/54/17/95/345541795.db2.gz IGASRARSHMSSRQ-ZCFIWIBFSA-N 0 0 174.652 2.621 10 30 AFEERN CN(c1ccccc1C#N)C(C)(C)C 306682298 345544012 /nfs/dbraw/zinc/54/40/12/345544012.db2.gz QXLCZTKBMCEFKJ-UHFFFAOYSA-N 0 0 188.274 2.793 10 30 AFEERN C#C[C@@](C)(CC)Nc1nc(C)cs1 306683573 345545223 /nfs/dbraw/zinc/54/52/23/345545223.db2.gz WJNHGOKDNQBCIC-JTQLQIEISA-N 0 0 194.303 2.665 10 30 AFEERN C#C[C@](C)(CC)Nc1nc(C)cs1 306683574 345545324 /nfs/dbraw/zinc/54/53/24/345545324.db2.gz WJNHGOKDNQBCIC-SNVBAGLBSA-N 0 0 194.303 2.665 10 30 AFEERN C=CC(=C)[C@@H](O)c1ccc(C)cc1 306685379 345546265 /nfs/dbraw/zinc/54/62/65/345546265.db2.gz DYKYAXCDJVJETC-GFCCVEGCSA-N 0 0 174.243 2.771 10 30 AFEERN C/C=C/C(=O)c1cccc(N(C)C)c1 306684791 345546393 /nfs/dbraw/zinc/54/63/93/345546393.db2.gz BNILBXWRCDUQHO-GQCTYLIASA-N 0 0 189.258 2.511 10 30 AFEERN CC[C@H](C)C(=O)c1cccc(C#N)c1 306686053 345546848 /nfs/dbraw/zinc/54/68/48/345546848.db2.gz JTPRYMDXXWTIPI-VIFPVBQESA-N 0 0 187.242 2.787 10 30 AFEERN CC=CC(=O)c1sccc1F 306686115 345546942 /nfs/dbraw/zinc/54/69/42/345546942.db2.gz JWNCFUAJVTWZEO-UHFFFAOYSA-N 0 0 170.208 2.646 10 30 AFEERN CC[C@@H](C)C(=O)c1cccc(C#N)c1 306686050 345547015 /nfs/dbraw/zinc/54/70/15/345547015.db2.gz JTPRYMDXXWTIPI-SECBINFHSA-N 0 0 187.242 2.787 10 30 AFEERN C=CCN(C#N)c1cccc(Cl)c1 306687338 345547539 /nfs/dbraw/zinc/54/75/39/345547539.db2.gz HMVBAHXDOUODGU-UHFFFAOYSA-N 0 0 192.649 2.813 10 30 AFEERN CC(C)[C@H](C)[C@@H](C#N)N1CCCCC1 306697832 345553300 /nfs/dbraw/zinc/55/33/00/345553300.db2.gz CUEQNBXDUFXBLI-NWDGAFQWSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)[C@@H](C)[C@@H](C#N)N1CCCCC1 306697842 345553353 /nfs/dbraw/zinc/55/33/53/345553353.db2.gz CUEQNBXDUFXBLI-VXGBXAGGSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)[C@H](C)[C@H](C#N)N1CCCCC1 306697839 345553410 /nfs/dbraw/zinc/55/34/10/345553410.db2.gz CUEQNBXDUFXBLI-RYUDHWBXSA-N 0 0 194.322 2.657 10 30 AFEERN CC#C[C@@H](O)c1ccc(F)c(Cl)c1 306700315 345555428 /nfs/dbraw/zinc/55/54/28/345555428.db2.gz FNKCFTSERZLMSY-SNVBAGLBSA-N 0 0 198.624 2.536 10 30 AFEERN CC#C[C@H](O)c1ccc(F)c(Cl)c1 306700313 345555486 /nfs/dbraw/zinc/55/54/86/345555486.db2.gz FNKCFTSERZLMSY-JTQLQIEISA-N 0 0 198.624 2.536 10 30 AFEERN C=C(C)C(=O)CC1(C)CCC1 306704984 345558669 /nfs/dbraw/zinc/55/86/69/345558669.db2.gz HUYFTFUSDNBQPI-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN N#Cc1cc(C(F)F)c(F)cc1F 306706319 345559965 /nfs/dbraw/zinc/55/99/65/345559965.db2.gz QCELQNWSCZDQLR-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN CCC1CCC(C#N)(C[C@H](C)O)CC1 306707292 345560551 /nfs/dbraw/zinc/56/05/51/345560551.db2.gz JRKCWDAONHNDCT-UNXYVOJBSA-N 0 0 195.306 2.867 10 30 AFEERN CCC1CCC(C#N)(C[C@@H](C)O)CC1 306707294 345560632 /nfs/dbraw/zinc/56/06/32/345560632.db2.gz JRKCWDAONHNDCT-VOMCLLRMSA-N 0 0 195.306 2.867 10 30 AFEERN N#CC1(C[C@@H]2CCCCO2)CCC1 306707934 345561141 /nfs/dbraw/zinc/56/11/41/345561141.db2.gz NHLFJTJMAGXEQB-JTQLQIEISA-N 0 0 179.263 2.639 10 30 AFEERN N#CC1(C[C@H]2CCCCO2)CCC1 306707935 345561291 /nfs/dbraw/zinc/56/12/91/345561291.db2.gz NHLFJTJMAGXEQB-SNVBAGLBSA-N 0 0 179.263 2.639 10 30 AFEERN CC1(C)CC[C@](C#N)(CCCF)C1=O 306710469 345563346 /nfs/dbraw/zinc/56/33/46/345563346.db2.gz MUCHSTIOUNPKHX-NSHDSACASA-N 0 0 197.253 2.635 10 30 AFEERN C#Cc1ccc2ccccc2c1F 306710124 345563457 /nfs/dbraw/zinc/56/34/57/345563457.db2.gz QKONQZOOMHIODR-UHFFFAOYSA-N 0 0 170.186 2.960 10 30 AFEERN CC1(C)CC[C@@](C#N)(CCCF)C1=O 306710468 345563600 /nfs/dbraw/zinc/56/36/00/345563600.db2.gz MUCHSTIOUNPKHX-LLVKDONJSA-N 0 0 197.253 2.635 10 30 AFEERN C=C[C@@H](O)C1CCC(CC)CC1 306710912 345564087 /nfs/dbraw/zinc/56/40/87/345564087.db2.gz WARXMWDCGFQPTF-VQXHTEKXSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@H](O)C1CCC(CC)CC1 306710911 345564180 /nfs/dbraw/zinc/56/41/80/345564180.db2.gz WARXMWDCGFQPTF-ILDUYXDCSA-N 0 0 168.280 2.750 10 30 AFEERN CCSCc1cccc(F)c1C#N 306712104 345565298 /nfs/dbraw/zinc/56/52/98/345565298.db2.gz TVNIMNGMQLBOMZ-UHFFFAOYSA-N 0 0 195.262 2.950 10 30 AFEERN Cc1cc(NCC#N)c(Cl)cc1F 306719420 345571311 /nfs/dbraw/zinc/57/13/11/345571311.db2.gz YBTUQDRHWYSYRB-UHFFFAOYSA-N 0 0 198.628 2.723 10 30 AFEERN C[Si](C)(C)C[C@@]1(C#N)CCCC1=O 306725715 345575801 /nfs/dbraw/zinc/57/58/01/345575801.db2.gz KYQOPFODWXLSKP-JTQLQIEISA-N 0 0 195.338 2.588 10 30 AFEERN N#Cc1cccc(C2=CCCCC2=O)c1 306725357 345576346 /nfs/dbraw/zinc/57/63/46/345576346.db2.gz KHXSIUJHNXKJFK-UHFFFAOYSA-N 0 0 197.237 2.695 10 30 AFEERN C[Si](C)(C)C[C@]1(C#N)CCCC1=O 306725716 345576360 /nfs/dbraw/zinc/57/63/60/345576360.db2.gz KYQOPFODWXLSKP-SNVBAGLBSA-N 0 0 195.338 2.588 10 30 AFEERN CC#C[C@@H](O)c1c(F)cccc1Cl 306728334 345577783 /nfs/dbraw/zinc/57/77/83/345577783.db2.gz NNHKJVXXJNNYHI-SECBINFHSA-N 0 0 198.624 2.536 10 30 AFEERN C=CC[C@]1(C=O)CC[C@@H](C)C1 306728345 345577810 /nfs/dbraw/zinc/57/78/10/345577810.db2.gz NNKWTQCPSOQTJS-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@]1(C=O)CC[C@H](C)C1 306728343 345577858 /nfs/dbraw/zinc/57/78/58/345577858.db2.gz NNKWTQCPSOQTJS-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@]1(C=O)CC[C@H](C)C1 306728344 345577963 /nfs/dbraw/zinc/57/79/63/345577963.db2.gz NNKWTQCPSOQTJS-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN CC#C[C@H](O)c1c(F)cccc1Cl 306728335 345578086 /nfs/dbraw/zinc/57/80/86/345578086.db2.gz NNHKJVXXJNNYHI-VIFPVBQESA-N 0 0 198.624 2.536 10 30 AFEERN C=CC[C@@]1(C=O)CC[C@@H](C)C1 306728342 345578189 /nfs/dbraw/zinc/57/81/89/345578189.db2.gz NNKWTQCPSOQTJS-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN CCC[C@H](C)C1(C#N)CCOCC1 306731993 345580535 /nfs/dbraw/zinc/58/05/35/345580535.db2.gz RFKARGALXQFZED-JTQLQIEISA-N 0 0 181.279 2.743 10 30 AFEERN CCC[C@@H](C)C1(C#N)CCOCC1 306731994 345580745 /nfs/dbraw/zinc/58/07/45/345580745.db2.gz RFKARGALXQFZED-SNVBAGLBSA-N 0 0 181.279 2.743 10 30 AFEERN CCOC[C@]1(C#N)CCC[C@H](C)C1 306736249 345583785 /nfs/dbraw/zinc/58/37/85/345583785.db2.gz XGXIQDKMRDCZIB-WDEREUQCSA-N 0 0 181.279 2.743 10 30 AFEERN C=C(c1cccc(N)c1)C(F)(F)F 306735504 345583476 /nfs/dbraw/zinc/58/34/76/345583476.db2.gz PISLMXMGBJQPHU-UHFFFAOYSA-N 0 0 187.164 2.844 10 30 AFEERN CCOC[C@@]1(C#N)CCC[C@H](C)C1 306736247 345583673 /nfs/dbraw/zinc/58/36/73/345583673.db2.gz XGXIQDKMRDCZIB-QWRGUYRKSA-N 0 0 181.279 2.743 10 30 AFEERN CCOC[C@]1(C#N)CCC[C@@H](C)C1 306736242 345583718 /nfs/dbraw/zinc/58/37/18/345583718.db2.gz XGXIQDKMRDCZIB-GHMZBOCLSA-N 0 0 181.279 2.743 10 30 AFEERN CCOC[C@@]1(C#N)CCC[C@@H](C)C1 306736245 345583819 /nfs/dbraw/zinc/58/38/19/345583819.db2.gz XGXIQDKMRDCZIB-MNOVXSKESA-N 0 0 181.279 2.743 10 30 AFEERN CC#CCC(=O)c1csc(C)c1C 306736887 345583830 /nfs/dbraw/zinc/58/38/30/345583830.db2.gz QSULGARBRINAAO-UHFFFAOYSA-N 0 0 192.283 2.961 10 30 AFEERN CC/C=C/C(=O)c1cc(F)ncc1F 306737219 345584291 /nfs/dbraw/zinc/58/42/91/345584291.db2.gz YOUHCRYSAZICQT-ONEGZZNKSA-N 0 0 197.184 2.509 10 30 AFEERN N#CC1(C[C@H]2CCC[C@H](O)C2)CCC1 306737906 345584580 /nfs/dbraw/zinc/58/45/80/345584580.db2.gz ZRUQELMEVXCAJT-QWRGUYRKSA-N 0 0 193.290 2.621 10 30 AFEERN N#CC1(C[C@@H]2CCC[C@H](O)C2)CCC1 306737905 345584654 /nfs/dbraw/zinc/58/46/54/345584654.db2.gz ZRUQELMEVXCAJT-MNOVXSKESA-N 0 0 193.290 2.621 10 30 AFEERN N#CC1(C[C@@H]2CCC[C@@H](O)C2)CCC1 306737904 345584664 /nfs/dbraw/zinc/58/46/64/345584664.db2.gz ZRUQELMEVXCAJT-GHMZBOCLSA-N 0 0 193.290 2.621 10 30 AFEERN N#CC1(C[C@H]2CCC[C@@H](O)C2)CCC1 306737907 345584796 /nfs/dbraw/zinc/58/47/96/345584796.db2.gz ZRUQELMEVXCAJT-WDEREUQCSA-N 0 0 193.290 2.621 10 30 AFEERN COc1cccc(N=NC(C)C)c1 306751468 345591683 /nfs/dbraw/zinc/59/16/83/345591683.db2.gz HSKSWSWHRFHTJS-UHFFFAOYSA-N 0 0 178.235 2.503 10 30 AFEERN CC=C=CC(=O)c1csc(Cl)c1 306754883 345592959 /nfs/dbraw/zinc/59/29/59/345592959.db2.gz QCOCIAGRNHITLA-UHFFFAOYSA-N 0 0 198.674 2.998 10 30 AFEERN C=CCNc1ccsc1Cl 306757417 345593959 /nfs/dbraw/zinc/59/39/59/345593959.db2.gz RVZGCESHFBERJR-UHFFFAOYSA-N 0 0 173.668 2.999 10 30 AFEERN C1CCC2(CC1)CCC[C@]21CO1 306761486 345597166 /nfs/dbraw/zinc/59/71/66/345597166.db2.gz ZSMJZDUWILFJNY-NSHDSACASA-N 0 0 166.264 2.890 10 30 AFEERN C1CCC2(CC1)CCC[C@@]21CO1 306761485 345597220 /nfs/dbraw/zinc/59/72/20/345597220.db2.gz ZSMJZDUWILFJNY-LLVKDONJSA-N 0 0 166.264 2.890 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCCC[C@@H]1C 306761902 345597884 /nfs/dbraw/zinc/59/78/84/345597884.db2.gz GGZHVWKRPRJEFV-FAELLTOESA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCCC[C@H]1C 306761903 345597923 /nfs/dbraw/zinc/59/79/23/345597923.db2.gz GGZHVWKRPRJEFV-KJMWJQJQSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)[C@H]1CCCC[C@@H]1C 306761905 345597945 /nfs/dbraw/zinc/59/79/45/345597945.db2.gz GGZHVWKRPRJEFV-YEXVBOHQSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)[C@H]1CCCC[C@H]1C 306761904 345598034 /nfs/dbraw/zinc/59/80/34/345598034.db2.gz GGZHVWKRPRJEFV-OJKCRXNLSA-N 0 0 166.264 2.958 10 30 AFEERN Fc1ccccc1N=NC1CCC1 306762646 345598617 /nfs/dbraw/zinc/59/86/17/345598617.db2.gz UCYSMORYWXYIPK-UHFFFAOYSA-N 0 0 178.210 2.778 10 30 AFEERN Clc1cccnc1N=NC1CCC1 306763821 345599358 /nfs/dbraw/zinc/59/93/58/345599358.db2.gz GMTBATJOMMJVQJ-UHFFFAOYSA-N 0 0 195.653 2.687 10 30 AFEERN CC(=O)/C=C/C1(C)CCCC1 306769809 345603653 /nfs/dbraw/zinc/60/36/53/345603653.db2.gz ARIWRNYVEROZIK-VMPITWQZSA-N 0 0 152.237 2.712 10 30 AFEERN CC#CCC(=O)[C@H]1CCCC[C@H]1C 306772717 345604988 /nfs/dbraw/zinc/60/49/88/345604988.db2.gz SOVKQDVKCQPJIU-MNOVXSKESA-N 0 0 178.275 2.795 10 30 AFEERN CC#CCC(=O)[C@@H]1CCCC[C@H]1C 306772716 345605135 /nfs/dbraw/zinc/60/51/35/345605135.db2.gz SOVKQDVKCQPJIU-GHMZBOCLSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CCC(=O)[C@@H]1CCCC[C@@H]1C 306772719 345605372 /nfs/dbraw/zinc/60/53/72/345605372.db2.gz SOVKQDVKCQPJIU-WDEREUQCSA-N 0 0 178.275 2.795 10 30 AFEERN CC#CCC(=O)[C@H]1CCCC[C@@H]1C 306772718 345605415 /nfs/dbraw/zinc/60/54/15/345605415.db2.gz SOVKQDVKCQPJIU-QWRGUYRKSA-N 0 0 178.275 2.795 10 30 AFEERN C[C@@H]1CCCC[C@@H]1[C@H]1CC[C@@H](C=O)O1 306774939 345606186 /nfs/dbraw/zinc/60/61/86/345606186.db2.gz WGIBXROBAWWESF-NOOOWODRSA-N 0 0 196.290 2.559 10 30 AFEERN C[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@H](C=O)O1 306774942 345606248 /nfs/dbraw/zinc/60/62/48/345606248.db2.gz WGIBXROBAWWESF-WYUUTHIRSA-N 0 0 196.290 2.559 10 30 AFEERN C[C@@H]1CCCC[C@@H]1[C@H]1CC[C@H](C=O)O1 306774941 345606301 /nfs/dbraw/zinc/60/63/01/345606301.db2.gz WGIBXROBAWWESF-WISYIIOYSA-N 0 0 196.290 2.559 10 30 AFEERN C[C@@H]1CCCC[C@@H]1[C@@H]1CC[C@@H](C=O)O1 306774940 345606411 /nfs/dbraw/zinc/60/64/11/345606411.db2.gz WGIBXROBAWWESF-RHYQMDGZSA-N 0 0 196.290 2.559 10 30 AFEERN CC[C@@H](C)C(=O)c1ccccc1C#N 306775109 345606851 /nfs/dbraw/zinc/60/68/51/345606851.db2.gz WJYAKVRAONSOKU-SECBINFHSA-N 0 0 187.242 2.787 10 30 AFEERN CC[C@H](C)C(=O)c1ccccc1C#N 306775110 345606909 /nfs/dbraw/zinc/60/69/09/345606909.db2.gz WJYAKVRAONSOKU-VIFPVBQESA-N 0 0 187.242 2.787 10 30 AFEERN C#CC[C@@H](O)[C@H]1CC[C@H](CC)CC1 306780358 345609653 /nfs/dbraw/zinc/60/96/53/345609653.db2.gz CWKMCKRCYNEMRB-IJLUTSLNSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@H](O)[C@H]1CC[C@H](CC)CC1 306780366 345609681 /nfs/dbraw/zinc/60/96/81/345609681.db2.gz CWKMCKRCYNEMRB-SRVKXCTJSA-N 0 0 180.291 2.587 10 30 AFEERN Cc1cc(F)cc(CC#N)c1C 306782992 345611348 /nfs/dbraw/zinc/61/13/48/345611348.db2.gz KRQMXGIVMPZJOL-UHFFFAOYSA-N 0 0 163.195 2.509 10 30 AFEERN C/C=C(\CC)C(=O)c1cscn1 306785640 345613283 /nfs/dbraw/zinc/61/32/83/345613283.db2.gz OCUUAWVWJXXRAE-XVNBXDOJSA-N 0 0 181.260 2.682 10 30 AFEERN CC1([C@@H]2OCCC[C@@H]2C#N)CCCC1 306788234 345614840 /nfs/dbraw/zinc/61/48/40/345614840.db2.gz RODYMRGZBBFHQF-GHMZBOCLSA-N 0 0 193.290 2.885 10 30 AFEERN CC1([C@H]2OCCC[C@H]2C#N)CCCC1 306788236 345614863 /nfs/dbraw/zinc/61/48/63/345614863.db2.gz RODYMRGZBBFHQF-QWRGUYRKSA-N 0 0 193.290 2.885 10 30 AFEERN CC1([C@H]2OCCC[C@@H]2C#N)CCCC1 306788235 345614994 /nfs/dbraw/zinc/61/49/94/345614994.db2.gz RODYMRGZBBFHQF-MNOVXSKESA-N 0 0 193.290 2.885 10 30 AFEERN CC1([C@@H]2OCCC[C@H]2C#N)CCCC1 306788237 345615137 /nfs/dbraw/zinc/61/51/37/345615137.db2.gz RODYMRGZBBFHQF-WDEREUQCSA-N 0 0 193.290 2.885 10 30 AFEERN N#CC[C@@H]1CC[C@H](C2CCCC2)O1 306795161 345619719 /nfs/dbraw/zinc/61/97/19/345619719.db2.gz UNGXMOSRJQLUJO-WDEREUQCSA-N 0 0 179.263 2.638 10 30 AFEERN N#CC[C@H]1CC[C@@H](C2CCCC2)O1 306795159 345619755 /nfs/dbraw/zinc/61/97/55/345619755.db2.gz UNGXMOSRJQLUJO-MNOVXSKESA-N 0 0 179.263 2.638 10 30 AFEERN N#CC[C@H]1CC[C@H](C2CCCC2)O1 306795158 345619768 /nfs/dbraw/zinc/61/97/68/345619768.db2.gz UNGXMOSRJQLUJO-GHMZBOCLSA-N 0 0 179.263 2.638 10 30 AFEERN N#CC[C@@H]1CC[C@@H](C2CCCC2)O1 306795160 345619802 /nfs/dbraw/zinc/61/98/02/345619802.db2.gz UNGXMOSRJQLUJO-QWRGUYRKSA-N 0 0 179.263 2.638 10 30 AFEERN Cc1cocc1C1=CC(=O)C[C@H](C)C1 306795780 345620211 /nfs/dbraw/zinc/62/02/11/345620211.db2.gz GTRZEBSJEOGREO-MRVPVSSYSA-N 0 0 190.242 2.970 10 30 AFEERN Cc1cocc1C1=CC(=O)C[C@@H](C)C1 306795782 345620236 /nfs/dbraw/zinc/62/02/36/345620236.db2.gz GTRZEBSJEOGREO-QMMMGPOBSA-N 0 0 190.242 2.970 10 30 AFEERN CC/C(=C\C(C)=O)C1CCC1 306797693 345621759 /nfs/dbraw/zinc/62/17/59/345621759.db2.gz YYFNVERVQZFDIO-VQHVLOKHSA-N 0 0 152.237 2.712 10 30 AFEERN CCC(C)(C)/C=C(/C)C(C)=O 306800117 345622865 /nfs/dbraw/zinc/62/28/65/345622865.db2.gz NXYJUNNACBOLTA-FPLPWBNLSA-N 0 0 154.253 2.958 10 30 AFEERN C=CC(=O)c1csc2c1CCCC2 306802674 345624322 /nfs/dbraw/zinc/62/43/22/345624322.db2.gz UIWDOKABNXADHR-UHFFFAOYSA-N 0 0 192.283 2.996 10 30 AFEERN C#CCC(=O)c1csc(C)c1C 306804052 345624991 /nfs/dbraw/zinc/62/49/91/345624991.db2.gz WUWBVBBWAHXVBW-UHFFFAOYSA-N 0 0 178.256 2.571 10 30 AFEERN C=CCC[C@]1(O)CCc2ccccc21 306812197 345630845 /nfs/dbraw/zinc/63/08/45/345630845.db2.gz YPBIZYVRZQWVOM-ZDUSSCGKSA-N 0 0 188.270 2.787 10 30 AFEERN C=CC(=O)c1csc(Cl)c1 306812689 345631175 /nfs/dbraw/zinc/63/11/75/345631175.db2.gz ZWUIPWMMCYXVOK-UHFFFAOYSA-N 0 0 172.636 2.770 10 30 AFEERN C/C=C/C(=O)c1ccc(F)c(OC)c1 306815037 345632454 /nfs/dbraw/zinc/63/24/54/345632454.db2.gz BTQHCHPNPZCRTK-ONEGZZNKSA-N 0 0 194.205 2.593 10 30 AFEERN N#C[C@]1([C@@H]2C=CCCC2)CCCOC1 306818054 345633394 /nfs/dbraw/zinc/63/33/94/345633394.db2.gz DYTRFONMRYDXPZ-VXGBXAGGSA-N 0 0 191.274 2.663 10 30 AFEERN N#C[C@]1([C@H]2C=CCCC2)CCCOC1 306818052 345633419 /nfs/dbraw/zinc/63/34/19/345633419.db2.gz DYTRFONMRYDXPZ-NWDGAFQWSA-N 0 0 191.274 2.663 10 30 AFEERN N#C[C@@]1([C@@H]2C=CCCC2)CCCOC1 306818051 345633557 /nfs/dbraw/zinc/63/35/57/345633557.db2.gz DYTRFONMRYDXPZ-NEPJUHHUSA-N 0 0 191.274 2.663 10 30 AFEERN N#C[C@@]1([C@H]2C=CCCC2)CCCOC1 306818053 345633605 /nfs/dbraw/zinc/63/36/05/345633605.db2.gz DYTRFONMRYDXPZ-RYUDHWBXSA-N 0 0 191.274 2.663 10 30 AFEERN C/C=C/C[C@]1(C#N)CCC(C)(C)C1=O 306818867 345634376 /nfs/dbraw/zinc/63/43/76/345634376.db2.gz FYMDFXVIMAXAAQ-ZYOFXKKJSA-N 0 0 191.274 2.852 10 30 AFEERN C/C=C/C[C@@]1(C#N)CCC(C)(C)C1=O 306818865 345634645 /nfs/dbraw/zinc/63/46/45/345634645.db2.gz FYMDFXVIMAXAAQ-ITKZLYELSA-N 0 0 191.274 2.852 10 30 AFEERN C=CC[C@H](C)Nc1ccc(C)nc1 306819639 345635020 /nfs/dbraw/zinc/63/50/20/345635020.db2.gz HGKFPGLMHYLUBJ-JTQLQIEISA-N 0 0 176.263 2.767 10 30 AFEERN C=CC[C@@H](C)Nc1ccc(C)nc1 306819659 345635014 /nfs/dbraw/zinc/63/50/14/345635014.db2.gz HGKFPGLMHYLUBJ-SNVBAGLBSA-N 0 0 176.263 2.767 10 30 AFEERN CC1(C)CC[C@]1(C#N)NC1CCCC1 306820433 345635443 /nfs/dbraw/zinc/63/54/43/345635443.db2.gz DOSNIFSJUHCULI-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN CC1(C)CC[C@@]1(C#N)NC1CCCC1 306820435 345635457 /nfs/dbraw/zinc/63/54/57/345635457.db2.gz DOSNIFSJUHCULI-LBPRGKRZSA-N 0 0 192.306 2.601 10 30 AFEERN CC(C)=CC(=O)c1cccc(C#N)c1 306820329 345635749 /nfs/dbraw/zinc/63/57/49/345635749.db2.gz IRGFFVCYYVKXHZ-UHFFFAOYSA-N 0 0 185.226 2.707 10 30 AFEERN CC(C)C(C(C)C)[C@H]1CC(=O)C=CO1 306822280 345636737 /nfs/dbraw/zinc/63/67/37/345636737.db2.gz MYDFNKNJAITBKX-LLVKDONJSA-N 0 0 196.290 2.786 10 30 AFEERN CC(C)C(C(C)C)[C@@H]1CC(=O)C=CO1 306822281 345637103 /nfs/dbraw/zinc/63/71/03/345637103.db2.gz MYDFNKNJAITBKX-NSHDSACASA-N 0 0 196.290 2.786 10 30 AFEERN N#Cc1cc(F)c(F)cc1C(F)F 306823296 345638145 /nfs/dbraw/zinc/63/81/45/345638145.db2.gz SRCSQJBJDSUICO-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN Cc1ccc(F)c(C2=CCCC2=O)c1 306823817 345638870 /nfs/dbraw/zinc/63/88/70/345638870.db2.gz ROZLUYJJBIXDGC-UHFFFAOYSA-N 0 0 190.217 2.880 10 30 AFEERN N#Cc1cc(F)c(C(F)F)cc1F 306824794 345639471 /nfs/dbraw/zinc/63/94/71/345639471.db2.gz WJEYOLZRZJTJIE-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN Cc1cnccc1C1=CCCCC1=O 306825298 345640260 /nfs/dbraw/zinc/64/02/60/345640260.db2.gz WOQAWLDIXJPEIA-UHFFFAOYSA-N 0 0 187.242 2.526 10 30 AFEERN CC[C@](C)(O)C[C@]1(C#N)CC[C@H](C)C1 306826051 345640474 /nfs/dbraw/zinc/64/04/74/345640474.db2.gz YWWOUFJVVITYHO-SRVKXCTJSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@](C)(O)C[C@@]1(C#N)CC[C@@H](C)C1 306826049 345640732 /nfs/dbraw/zinc/64/07/32/345640732.db2.gz YWWOUFJVVITYHO-GRYCIOLGSA-N 0 0 195.306 2.867 10 30 AFEERN O=C1CCCC=C1c1cccc(F)c1 306826031 345640840 /nfs/dbraw/zinc/64/08/40/345640840.db2.gz YRQJIIYPZCHCNS-UHFFFAOYSA-N 0 0 190.217 2.962 10 30 AFEERN CC[C@](C)(O)C[C@@]1(C#N)CC[C@H](C)C1 306826050 345640865 /nfs/dbraw/zinc/64/08/65/345640865.db2.gz YWWOUFJVVITYHO-SDDRHHMPSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@](C)(O)C[C@]1(C#N)CC[C@@H](C)C1 306826052 345640882 /nfs/dbraw/zinc/64/08/82/345640882.db2.gz YWWOUFJVVITYHO-WOPDTQHZSA-N 0 0 195.306 2.867 10 30 AFEERN N#Cc1cc(F)cc(C(F)F)c1F 306834901 345647173 /nfs/dbraw/zinc/64/71/73/345647173.db2.gz QNFNVBYICUDZQZ-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN CC[C@@H]1CCC[C@H]([C@@H]2CO2)C1 306837971 345648733 /nfs/dbraw/zinc/64/87/33/345648733.db2.gz WUEJLZSRZLJHJE-UTLUCORTSA-N 0 0 154.253 2.602 10 30 AFEERN CC[C@@H]1CCC[C@H]([C@H]2CO2)C1 306837969 345648778 /nfs/dbraw/zinc/64/87/78/345648778.db2.gz WUEJLZSRZLJHJE-KXUCPTDWSA-N 0 0 154.253 2.602 10 30 AFEERN CC[C@@H]1CCC[C@@H]([C@H]2CO2)C1 306837970 345648851 /nfs/dbraw/zinc/64/88/51/345648851.db2.gz WUEJLZSRZLJHJE-OPRDCNLKSA-N 0 0 154.253 2.602 10 30 AFEERN CC[C@@H]1CCC[C@@H]([C@@H]2CO2)C1 306837968 345648906 /nfs/dbraw/zinc/64/89/06/345648906.db2.gz WUEJLZSRZLJHJE-BBBLOLIVSA-N 0 0 154.253 2.602 10 30 AFEERN C=C[C@H](C)Oc1cc(F)cc(C#N)c1 306846938 345654033 /nfs/dbraw/zinc/65/40/33/345654033.db2.gz KPFISACGVZDHPN-QMMMGPOBSA-N 0 0 191.205 2.651 10 30 AFEERN Cc1c(CC(C)C)sc(N)c1C#N 306846864 345654188 /nfs/dbraw/zinc/65/41/88/345654188.db2.gz KLVWMOWGJPWTPE-UHFFFAOYSA-N 0 0 194.303 2.709 10 30 AFEERN C=C[C@@H](C)Oc1cc(F)cc(C#N)c1 306846937 345654228 /nfs/dbraw/zinc/65/42/28/345654228.db2.gz KPFISACGVZDHPN-MRVPVSSYSA-N 0 0 191.205 2.651 10 30 AFEERN C[C@@H](C#N)C(=O)[C@@H]1CCC[C@@H](C)C1 306859289 345662793 /nfs/dbraw/zinc/66/27/93/345662793.db2.gz BNPZFSVDGJBIJS-KXUCPTDWSA-N 0 0 179.263 2.541 10 30 AFEERN C[C@@H](C#N)C(=O)[C@H]1CCC[C@@H](C)C1 306859292 345662928 /nfs/dbraw/zinc/66/29/28/345662928.db2.gz BNPZFSVDGJBIJS-UTLUCORTSA-N 0 0 179.263 2.541 10 30 AFEERN C[C@@H]1CCC[C@@H](C(=O)[C@H](C)C#N)C1 306859291 345662996 /nfs/dbraw/zinc/66/29/96/345662996.db2.gz BNPZFSVDGJBIJS-OPRDCNLKSA-N 0 0 179.263 2.541 10 30 AFEERN C[C@@H]1CCC[C@H](C(=O)[C@H](C)C#N)C1 306859288 345663036 /nfs/dbraw/zinc/66/30/36/345663036.db2.gz BNPZFSVDGJBIJS-BBBLOLIVSA-N 0 0 179.263 2.541 10 30 AFEERN N#CCCNc1cccc(C(F)F)c1 306859749 345663566 /nfs/dbraw/zinc/66/35/66/345663566.db2.gz DFIAGXLXTRXWJD-UHFFFAOYSA-N 0 0 196.200 2.950 10 30 AFEERN Cc1cc(N=[N+]=[N-])nc(C)c1C#N 306863333 345666334 /nfs/dbraw/zinc/66/63/34/345666334.db2.gz JVCRAHUEVAIPCS-UHFFFAOYSA-N 0 0 173.179 2.512 10 30 AFEERN CC[C@]1(C)CCC[C@@H](CC#N)O1 306883023 345679612 /nfs/dbraw/zinc/67/96/12/345679612.db2.gz OGZDNHUZLPBMNW-VHSXEESVSA-N 0 0 167.252 2.638 10 30 AFEERN C#Cc1cccc(CSC)c1 306872110 345671071 /nfs/dbraw/zinc/67/10/71/345671071.db2.gz ZITPDRBIEXRXRV-UHFFFAOYSA-N 0 0 162.257 2.531 10 30 AFEERN CC[C@@]1(C)CCC[C@@H](CC#N)O1 306883021 345679745 /nfs/dbraw/zinc/67/97/45/345679745.db2.gz OGZDNHUZLPBMNW-UWVGGRQHSA-N 0 0 167.252 2.638 10 30 AFEERN CC[C@]1(C)CCC[C@H](CC#N)O1 306883019 345679802 /nfs/dbraw/zinc/67/98/02/345679802.db2.gz OGZDNHUZLPBMNW-NXEZZACHSA-N 0 0 167.252 2.638 10 30 AFEERN CC[C@@]1(C)CCC[C@H](CC#N)O1 306883025 345679823 /nfs/dbraw/zinc/67/98/23/345679823.db2.gz OGZDNHUZLPBMNW-ZJUUUORDSA-N 0 0 167.252 2.638 10 30 AFEERN C=C[C@@H](O)C1(c2ccccc2)CCC1 306886570 345683085 /nfs/dbraw/zinc/68/30/85/345683085.db2.gz SPYZWBDWXVOWIR-GFCCVEGCSA-N 0 0 188.270 2.655 10 30 AFEERN C=C[C@H](O)C1(c2ccccc2)CCC1 306886572 345683371 /nfs/dbraw/zinc/68/33/71/345683371.db2.gz SPYZWBDWXVOWIR-LBPRGKRZSA-N 0 0 188.270 2.655 10 30 AFEERN C=C(C)CCNc1ccnc(F)c1 306887427 345683842 /nfs/dbraw/zinc/68/38/42/345683842.db2.gz UKPHBPVSNHAIPR-UHFFFAOYSA-N 0 0 180.226 2.599 10 30 AFEERN CC1=C(/C=C/C(C)C)CCC1=O 306899117 345690999 /nfs/dbraw/zinc/69/09/99/345690999.db2.gz ZGCMAQVGGRNRLD-SNAWJCMRSA-N 0 0 164.248 2.878 10 30 AFEERN CC[C@@H]1CCCC[C@H]1[C@H]1CO1 306992583 345739561 /nfs/dbraw/zinc/73/95/61/345739561.db2.gz WVMUIDSBSPAPDL-OPRDCNLKSA-N 0 0 154.253 2.602 10 30 AFEERN N#Cc1c(F)ccc(F)c1C(F)F 306905449 345693547 /nfs/dbraw/zinc/69/35/47/345693547.db2.gz XDLFMPUGGRJQDY-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN C=C([C@@H]1CCCC[C@H]1O)[Si](C)(C)C 306916827 345697573 /nfs/dbraw/zinc/69/75/73/345697573.db2.gz YHWWDMTUXWNTEM-WDEREUQCSA-N 0 0 198.382 2.971 10 30 AFEERN CC(F)(F)C(=O)C1=CCCCC1 306926898 345702576 /nfs/dbraw/zinc/70/25/76/345702576.db2.gz RMKKCHLWGRFSNE-UHFFFAOYSA-N 0 0 174.190 2.711 10 30 AFEERN CC(C)N=Nc1cccc(F)c1F 306927088 345702725 /nfs/dbraw/zinc/70/27/25/345702725.db2.gz SABUOBPMQUCVSK-UHFFFAOYSA-N 0 0 184.189 2.773 10 30 AFEERN C=CCN(C)c1cc(C)ccc1C 306929192 345704036 /nfs/dbraw/zinc/70/40/36/345704036.db2.gz AWFNZFXFHKKQSS-UHFFFAOYSA-N 0 0 175.275 2.926 10 30 AFEERN CC#CCSc1ccc(Cl)cn1 306932725 345705793 /nfs/dbraw/zinc/70/57/93/345705793.db2.gz CNFDHEVEXJNAER-UHFFFAOYSA-N 0 0 197.690 2.850 10 30 AFEERN CC(C)(C#N)Cc1ccc(Cl)nc1 306943880 345710520 /nfs/dbraw/zinc/71/05/20/345710520.db2.gz AJCXSGJREIIZBI-UHFFFAOYSA-N 0 0 194.665 2.827 10 30 AFEERN C[C@@H]1CCC[C@]12CC[C@H](CC#N)O2 306944200 345710531 /nfs/dbraw/zinc/71/05/31/345710531.db2.gz XCXUUULCYAIVHJ-MXWKQRLJSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@H]1CCC[C@@]12CC[C@@H](CC#N)O2 306944201 345710601 /nfs/dbraw/zinc/71/06/01/345710601.db2.gz XCXUUULCYAIVHJ-OUAUKWLOSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@H]1CCC[C@]12CC[C@@H](CC#N)O2 306944202 345710750 /nfs/dbraw/zinc/71/07/50/345710750.db2.gz XCXUUULCYAIVHJ-VWYCJHECSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@H]1CCC[C@@]12CC[C@H](CC#N)O2 306944199 345710871 /nfs/dbraw/zinc/71/08/71/345710871.db2.gz XCXUUULCYAIVHJ-GMTAPVOTSA-N 0 0 179.263 2.638 10 30 AFEERN CC(C)C1CCC([C@@H]2CO2)CC1 306946367 345712413 /nfs/dbraw/zinc/71/24/13/345712413.db2.gz LFQMZOBGNMVPTQ-ILDUYXDCSA-N 0 0 168.280 2.848 10 30 AFEERN CC(C)C1CCC([C@H]2CO2)CC1 306946368 345712799 /nfs/dbraw/zinc/71/27/99/345712799.db2.gz LFQMZOBGNMVPTQ-VQXHTEKXSA-N 0 0 168.280 2.848 10 30 AFEERN N#CC1(Cc2csc(Cl)n2)CC1 306947619 345713006 /nfs/dbraw/zinc/71/30/06/345713006.db2.gz QFWLPTQPZVNJJC-UHFFFAOYSA-N 0 0 198.678 2.643 10 30 AFEERN CC#CCSCc1c(C)noc1C 306952639 345715924 /nfs/dbraw/zinc/71/59/24/345715924.db2.gz HGASELXBVULXMI-UHFFFAOYSA-N 0 0 195.287 2.548 10 30 AFEERN Cc1cc([C@@H]2CC(=O)C=CO2)cs1 306954387 345717089 /nfs/dbraw/zinc/71/70/89/345717089.db2.gz OBNZEKMNIBEKHZ-JTQLQIEISA-N 0 0 194.255 2.601 10 30 AFEERN C[C@H](C=O)[C@H]1CC2CCC1CC2 306954416 345717095 /nfs/dbraw/zinc/71/70/95/345717095.db2.gz ODDUAPHWPJZORQ-AGVGLQIMSA-N 0 0 166.264 2.648 10 30 AFEERN Cc1cc([C@H]2CC(=O)C=CO2)cs1 306954388 345717122 /nfs/dbraw/zinc/71/71/22/345717122.db2.gz OBNZEKMNIBEKHZ-SNVBAGLBSA-N 0 0 194.255 2.601 10 30 AFEERN C[C@@H](C=O)[C@H]1CC2CCC1CC2 306954417 345717180 /nfs/dbraw/zinc/71/71/80/345717180.db2.gz ODDUAPHWPJZORQ-IDWGSYCQSA-N 0 0 166.264 2.648 10 30 AFEERN C[C@H](C=O)[C@@H]1CC2CCC1CC2 306954419 345717276 /nfs/dbraw/zinc/71/72/76/345717276.db2.gz ODDUAPHWPJZORQ-SFXRXQKFSA-N 0 0 166.264 2.648 10 30 AFEERN C[C@@]1([C@H]2CC3CCC2CC3)CO1 306958320 345718848 /nfs/dbraw/zinc/71/88/48/345718848.db2.gz VJEKFIBFTDLPCU-TVUZUIDESA-N 0 0 166.264 2.602 10 30 AFEERN C[C@]1([C@H]2CC3CCC2CC3)CO1 306958321 345718910 /nfs/dbraw/zinc/71/89/10/345718910.db2.gz VJEKFIBFTDLPCU-WFBLGPOFSA-N 0 0 166.264 2.602 10 30 AFEERN C[C@@]1([C@@H]2CC3CCC2CC3)CO1 306958319 345719046 /nfs/dbraw/zinc/71/90/46/345719046.db2.gz VJEKFIBFTDLPCU-LXKPXOPUSA-N 0 0 166.264 2.602 10 30 AFEERN Cc1scc(C(=O)[C@H](C)C#N)c1C 306964038 345722197 /nfs/dbraw/zinc/72/21/97/345722197.db2.gz DFNMLFKNYRNXSX-ZCFIWIBFSA-N 0 0 193.271 2.707 10 30 AFEERN Cc1scc(C(=O)[C@@H](C)C#N)c1C 306964037 345722206 /nfs/dbraw/zinc/72/22/06/345722206.db2.gz DFNMLFKNYRNXSX-LURJTMIESA-N 0 0 193.271 2.707 10 30 AFEERN Cc1cc(CC#N)cc(F)c1Cl 306975222 345728460 /nfs/dbraw/zinc/72/84/60/345728460.db2.gz NCMGKVMJHPFBOG-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN [N-]=[N+]=Nc1ccc(C(F)F)cn1 306975648 345728720 /nfs/dbraw/zinc/72/87/20/345728720.db2.gz ZWLYPKNBCKOBJM-UHFFFAOYSA-N 0 0 170.122 2.961 10 30 AFEERN CCC(CC)Nc1ccncc1C#N 306976035 345729631 /nfs/dbraw/zinc/72/96/31/345729631.db2.gz CETZSMZKJSNTAV-UHFFFAOYSA-N 0 0 189.262 2.554 10 30 AFEERN C=C(C)C(=O)c1cc(C)cs1 306978252 345730713 /nfs/dbraw/zinc/73/07/13/345730713.db2.gz AZEFDFKXJWKHAO-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN O=C1C=C(c2ccns2)CCCC1 306980482 345731968 /nfs/dbraw/zinc/73/19/68/345731968.db2.gz GUUQIASYLWBEHS-UHFFFAOYSA-N 0 0 193.271 2.670 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1[C@H]1CO1 306992582 345739495 /nfs/dbraw/zinc/73/94/95/345739495.db2.gz WVMUIDSBSPAPDL-KXUCPTDWSA-N 0 0 154.253 2.602 10 30 AFEERN C=CC(=O)c1cc(C)c(F)cc1C 306994467 345740131 /nfs/dbraw/zinc/74/01/31/345740131.db2.gz NOEXDXCEIOHXEN-UHFFFAOYSA-N 0 0 178.206 2.811 10 30 AFEERN N#C[C@]1(C/C=C/Cl)CCCCC1=O 306994579 345740473 /nfs/dbraw/zinc/74/04/73/345740473.db2.gz NZRGFAJVHCGVOI-KFEJWOFMSA-N 0 0 197.665 2.782 10 30 AFEERN N#C[C@@]1(C/C=C/Cl)CCCCC1=O 306994578 345740540 /nfs/dbraw/zinc/74/05/40/345740540.db2.gz NZRGFAJVHCGVOI-HTZNOQTFSA-N 0 0 197.665 2.782 10 30 AFEERN C[C@@H]1CCC[C@@H]([C@@]2(C#N)CCOC2)C1 307004415 345746330 /nfs/dbraw/zinc/74/63/30/345746330.db2.gz FAHQLBDNJCASHU-IJLUTSLNSA-N 0 0 193.290 2.743 10 30 AFEERN C[C@@H]1CCC[C@@H]([C@]2(C#N)CCOC2)C1 307004416 345746366 /nfs/dbraw/zinc/74/63/66/345746366.db2.gz FAHQLBDNJCASHU-UTUOFQBUSA-N 0 0 193.290 2.743 10 30 AFEERN C[C@@H]1CCC[C@H]([C@@]2(C#N)CCOC2)C1 307004413 345746385 /nfs/dbraw/zinc/74/63/85/345746385.db2.gz FAHQLBDNJCASHU-GRYCIOLGSA-N 0 0 193.290 2.743 10 30 AFEERN C[C@@H]1CCC[C@H]([C@]2(C#N)CCOC2)C1 307004417 345746389 /nfs/dbraw/zinc/74/63/89/345746389.db2.gz FAHQLBDNJCASHU-WOPDTQHZSA-N 0 0 193.290 2.743 10 30 AFEERN CN(C)[C@@H](C#N)CC1CCCCCC1 307004836 345746474 /nfs/dbraw/zinc/74/64/74/345746474.db2.gz DNISTJZMWYZPDI-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN N#CC1(c2ccc(F)cn2)CCCC1 307005021 345746630 /nfs/dbraw/zinc/74/66/30/345746630.db2.gz FHHHVAZRKHGWBM-UHFFFAOYSA-N 0 0 190.221 2.556 10 30 AFEERN C=CCCSC/C=C/C 307007211 345748093 /nfs/dbraw/zinc/74/80/93/345748093.db2.gz GDQYGZCYBVPAPL-GQCTYLIASA-N 0 0 142.267 2.872 10 30 AFEERN C#CC[C@@H](O)[C@H](C)C1CCCCC1 307010340 345750581 /nfs/dbraw/zinc/75/05/81/345750581.db2.gz IUDOGLPSNAXHBA-ZYHUDNBSSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@@H](O)[C@@H](C)C1CCCCC1 307010334 345750624 /nfs/dbraw/zinc/75/06/24/345750624.db2.gz IUDOGLPSNAXHBA-CMPLNLGQSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@H](O)[C@H](C)C1CCCCC1 307010338 345750725 /nfs/dbraw/zinc/75/07/25/345750725.db2.gz IUDOGLPSNAXHBA-PWSUYJOCSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@H](O)[C@@H](C)C1CCCCC1 307010336 345750762 /nfs/dbraw/zinc/75/07/62/345750762.db2.gz IUDOGLPSNAXHBA-JQWIXIFHSA-N 0 0 180.291 2.587 10 30 AFEERN CC(C)=NN[C@H]1CCCCC1(C)C 307012689 345752168 /nfs/dbraw/zinc/75/21/68/345752168.db2.gz LFLKTIDZBDBSMF-JTQLQIEISA-N 0 0 182.311 2.941 10 30 AFEERN [N-]=[N+]=Nc1c(Cl)cncc1[N+](=O)[O-] 307012993 345752209 /nfs/dbraw/zinc/75/22/09/345752209.db2.gz NDJMKZZWOVXENE-UHFFFAOYSA-N 0 0 199.557 2.585 10 30 AFEERN CC#CCC[C@]1(C#N)CCCS1 307012511 345752276 /nfs/dbraw/zinc/75/22/76/345752276.db2.gz KWOUEYCHJNXPFA-SNVBAGLBSA-N 0 0 179.288 2.579 10 30 AFEERN CC(C)=NN[C@@H]1CCCCC1(C)C 307012690 345752321 /nfs/dbraw/zinc/75/23/21/345752321.db2.gz LFLKTIDZBDBSMF-SNVBAGLBSA-N 0 0 182.311 2.941 10 30 AFEERN C=C(C)C[C@H]([NH3+])c1cc(C)c(C)o1 307013330 345752696 /nfs/dbraw/zinc/75/26/96/345752696.db2.gz NOROGMPCBWNSLP-JTQLQIEISA-N 0 0 179.263 2.862 10 30 AFEERN C=C(C)C[C@@H]([NH3+])c1cc(C)c(C)o1 307013332 345752932 /nfs/dbraw/zinc/75/29/32/345752932.db2.gz NOROGMPCBWNSLP-SNVBAGLBSA-N 0 0 179.263 2.862 10 30 AFEERN C=C(CC)Cn1nc(C)c(C)c1C 307015520 345753705 /nfs/dbraw/zinc/75/37/05/345753705.db2.gz NSSQAMGYEGGDQC-UHFFFAOYSA-N 0 0 178.279 2.775 10 30 AFEERN CCC#C[C@H](C)SC1CCOCC1 307015252 345753809 /nfs/dbraw/zinc/75/38/09/345753809.db2.gz NNTHBRFDJIWLHN-JTQLQIEISA-N 0 0 198.331 2.701 10 30 AFEERN CCC#C[C@@H](C)SC1CCOCC1 307015253 345753877 /nfs/dbraw/zinc/75/38/77/345753877.db2.gz NNTHBRFDJIWLHN-SNVBAGLBSA-N 0 0 198.331 2.701 10 30 AFEERN CCOCC1(C#N)CCC(C)CC1 307017128 345755700 /nfs/dbraw/zinc/75/57/00/345755700.db2.gz PPFRPPBZULFGNO-UHFFFAOYSA-N 0 0 181.279 2.743 10 30 AFEERN C=CC(=O)c1cccc(SC)c1 307021542 345758702 /nfs/dbraw/zinc/75/87/02/345758702.db2.gz BMFVIYCJGQTOSD-UHFFFAOYSA-N 0 0 178.256 2.777 10 30 AFEERN CC#C[C@@](O)(CC)c1cccc(C)c1 307022951 345759635 /nfs/dbraw/zinc/75/96/35/345759635.db2.gz DVRYSTWJJDBDEF-ZDUSSCGKSA-N 0 0 188.270 2.616 10 30 AFEERN [N-]=[N+]=Nc1noc2ccccc12 307022935 345759784 /nfs/dbraw/zinc/75/97/84/345759784.db2.gz DPZXHZJLHSDSSG-UHFFFAOYSA-N 0 0 160.136 2.770 10 30 AFEERN CC#C[C@](O)(CC)c1cccc(C)c1 307022950 345759709 /nfs/dbraw/zinc/75/97/09/345759709.db2.gz DVRYSTWJJDBDEF-CYBMUJFWSA-N 0 0 188.270 2.616 10 30 AFEERN CC/C(=C/C(C)=O)C(C)(C)C 307031216 345766633 /nfs/dbraw/zinc/76/66/33/345766633.db2.gz OSTMOKGBQSUVGA-CLFYSBASSA-N 0 0 154.253 2.958 10 30 AFEERN C=C[C@H](C)Nc1csc(Cl)n1 307031576 345766782 /nfs/dbraw/zinc/76/67/82/345766782.db2.gz KGYADUQMHPTKDT-YFKPBYRVSA-N 0 0 188.683 2.783 10 30 AFEERN C=C[C@@H](C)Nc1csc(Cl)n1 307031574 345766959 /nfs/dbraw/zinc/76/69/59/345766959.db2.gz KGYADUQMHPTKDT-RXMQYKEDSA-N 0 0 188.683 2.783 10 30 AFEERN COc1ccc(C2=CCCC2=O)s1 307032290 345767246 /nfs/dbraw/zinc/76/72/46/345767246.db2.gz RETLSTMWAQONBN-UHFFFAOYSA-N 0 0 194.255 2.503 10 30 AFEERN Clc1ccc(N=NCC2CC2)cn1 307033271 345767841 /nfs/dbraw/zinc/76/78/41/345767841.db2.gz LOLBKPGMGGOXJS-LFYBBSHMSA-N 0 0 195.653 2.543 10 30 AFEERN O=C(C1=CCCCC1)c1ccc[nH]1 307037133 345769835 /nfs/dbraw/zinc/76/98/35/345769835.db2.gz ZWSJFSMGQLWLCO-UHFFFAOYSA-N 0 0 175.231 2.698 10 30 AFEERN C=CCSCCC(=C)C 307037794 345770615 /nfs/dbraw/zinc/77/06/15/345770615.db2.gz FGARAQOQAMVXBE-UHFFFAOYSA-N 0 0 142.267 2.872 10 30 AFEERN C=CCNc1nc2c(s1)CC[C@H]2C 307043455 345774082 /nfs/dbraw/zinc/77/40/82/345774082.db2.gz DLIBZVGKKQVTQW-SSDOTTSWSA-N 0 0 194.303 2.791 10 30 AFEERN CC(C)=CC(=O)c1cocc1C 307042851 345774226 /nfs/dbraw/zinc/77/42/26/345774226.db2.gz MKHKBFRJZAGRBC-UHFFFAOYSA-N 0 0 164.204 2.737 10 30 AFEERN C=CCNc1nc2c(s1)CC[C@@H]2C 307043456 345774252 /nfs/dbraw/zinc/77/42/52/345774252.db2.gz DLIBZVGKKQVTQW-ZETCQYMHSA-N 0 0 194.303 2.791 10 30 AFEERN Cc1cocc1C(=O)C1=CCCC1 307042818 345774313 /nfs/dbraw/zinc/77/43/13/345774313.db2.gz MFYOSRSGPNVORL-UHFFFAOYSA-N 0 0 176.215 2.881 10 30 AFEERN CC#CCSc1ccc(C#N)cc1 307048699 345778127 /nfs/dbraw/zinc/77/81/27/345778127.db2.gz BKTXUGJSBJSVAT-UHFFFAOYSA-N 0 0 187.267 2.674 10 30 AFEERN CC(C)O[C@]1(C=O)C[C@@H](C)C[C@@H](C)C1 307052335 345779935 /nfs/dbraw/zinc/77/99/35/345779935.db2.gz ULNSNYWMZXDADD-GDNZZTSVSA-N 0 0 198.306 2.805 10 30 AFEERN CC(C)OC1(C=O)C[C@@H](C)C[C@H](C)C1 307052339 345780204 /nfs/dbraw/zinc/78/02/04/345780204.db2.gz ULNSNYWMZXDADD-QWRGUYRKSA-N 0 0 198.306 2.805 10 30 AFEERN CC(C)OC1(C=O)C[C@H](C)C[C@@H](C)C1 307052336 345780324 /nfs/dbraw/zinc/78/03/24/345780324.db2.gz ULNSNYWMZXDADD-GHMZBOCLSA-N 0 0 198.306 2.805 10 30 AFEERN CC1(C)CCCC[C@@]1(O)C1(C#N)CC1 307058423 345784302 /nfs/dbraw/zinc/78/43/02/345784302.db2.gz GCAGLRHFNGQZQR-LBPRGKRZSA-N 0 0 193.290 2.621 10 30 AFEERN CC1(C)CCCC[C@]1(O)C1(C#N)CC1 307058422 345784382 /nfs/dbraw/zinc/78/43/82/345784382.db2.gz GCAGLRHFNGQZQR-GFCCVEGCSA-N 0 0 193.290 2.621 10 30 AFEERN C#CC(=O)c1ccc2sccc2c1 307060117 345785605 /nfs/dbraw/zinc/78/56/05/345785605.db2.gz CYZNRCRJVYCCGS-UHFFFAOYSA-N 0 0 186.235 2.717 10 30 AFEERN CCCC(=O)c1ccc(C#N)c(F)c1 307062460 345787083 /nfs/dbraw/zinc/78/70/83/345787083.db2.gz OYZXJXOSPNRZMW-UHFFFAOYSA-N 0 0 191.205 2.680 10 30 AFEERN N#CC[C@]1(O)CCCCC12CCCC2 307061709 345787239 /nfs/dbraw/zinc/78/72/39/345787239.db2.gz LIWCEDBZJURMAI-GFCCVEGCSA-N 0 0 193.290 2.766 10 30 AFEERN N#CC[C@@]1(O)CCCCC12CCCC2 307061711 345787276 /nfs/dbraw/zinc/78/72/76/345787276.db2.gz LIWCEDBZJURMAI-LBPRGKRZSA-N 0 0 193.290 2.766 10 30 AFEERN N#CCNc1cccc(C(F)F)c1 307068128 345790978 /nfs/dbraw/zinc/79/09/78/345790978.db2.gz MCNIFCNZQTUVIR-UHFFFAOYSA-N 0 0 182.173 2.560 10 30 AFEERN C=C(C)C(=O)c1sccc1F 307069273 345791600 /nfs/dbraw/zinc/79/16/00/345791600.db2.gz SYHLBHAFXAVHHT-UHFFFAOYSA-N 0 0 170.208 2.646 10 30 AFEERN COC[C@@H](C)C1(C#N)CCC(C)CC1 307071089 345792706 /nfs/dbraw/zinc/79/27/06/345792706.db2.gz WOCYZLKPGMCQKY-MOENNCHZSA-N 0 0 195.306 2.989 10 30 AFEERN CC[C@H](C)C1(C#N)CCC1 307075146 345794974 /nfs/dbraw/zinc/79/49/74/345794974.db2.gz DZGBWNPLKRLUIX-QMMMGPOBSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@@H](C)C1(C#N)CCC1 307075145 345794998 /nfs/dbraw/zinc/79/49/98/345794998.db2.gz DZGBWNPLKRLUIX-MRVPVSSYSA-N 0 0 137.226 2.726 10 30 AFEERN C=CC(=O)c1cccc(F)c1C 307076831 345796429 /nfs/dbraw/zinc/79/64/29/345796429.db2.gz LTUDUEGTEUEHRO-UHFFFAOYSA-N 0 0 164.179 2.503 10 30 AFEERN C[C@@H](C#N)Nc1ccc(C(F)F)cc1 307080245 345797998 /nfs/dbraw/zinc/79/79/98/345797998.db2.gz OFHCMIKASIIQQM-ZETCQYMHSA-N 0 0 196.200 2.948 10 30 AFEERN C[C@H](C#N)Nc1ccc(C(F)F)cc1 307080243 345798028 /nfs/dbraw/zinc/79/80/28/345798028.db2.gz OFHCMIKASIIQQM-SSDOTTSWSA-N 0 0 196.200 2.948 10 30 AFEERN CC#C[C@@]1(O)CCC[C@H](CC)CC1 307080267 345798089 /nfs/dbraw/zinc/79/80/89/345798089.db2.gz IJTYCIJALQXTJH-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN CCC(C)(C)/C=C/C(C)=O 307080040 345798149 /nfs/dbraw/zinc/79/81/49/345798149.db2.gz RSSBZIDVGUCXQA-VOTSOKGWSA-N 0 0 140.226 2.568 10 30 AFEERN CC#C[C@]1(O)CCC[C@@H](CC)CC1 307080264 345798163 /nfs/dbraw/zinc/79/81/63/345798163.db2.gz IJTYCIJALQXTJH-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN CC#C[C@@]1(O)CCC[C@@H](CC)CC1 307080272 345798281 /nfs/dbraw/zinc/79/82/81/345798281.db2.gz IJTYCIJALQXTJH-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN CC#C[C@]1(O)CCC[C@H](CC)CC1 307080269 345798377 /nfs/dbraw/zinc/79/83/77/345798377.db2.gz IJTYCIJALQXTJH-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN N#Cc1cc(F)c(C(F)F)c(F)c1 307082506 345799972 /nfs/dbraw/zinc/79/99/72/345799972.db2.gz QFQMBZAJEIPPDK-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN Cc1c(F)cc(Cl)cc1CC#N 307090030 345804171 /nfs/dbraw/zinc/80/41/71/345804171.db2.gz VVPJXXMYCZZZOE-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN C[C@@H]1CC(=O)C=C(c2ccns2)C1 307090979 345804676 /nfs/dbraw/zinc/80/46/76/345804676.db2.gz QHSJYSPDZPNQQR-ZETCQYMHSA-N 0 0 193.271 2.526 10 30 AFEERN C[C@H]1CC(=O)C=C(c2ccns2)C1 307090978 345804872 /nfs/dbraw/zinc/80/48/72/345804872.db2.gz QHSJYSPDZPNQQR-SSDOTTSWSA-N 0 0 193.271 2.526 10 30 AFEERN CCO/C=C1/CCC2(CCCC2)C1=O 307091734 345805166 /nfs/dbraw/zinc/80/51/66/345805166.db2.gz YAXGZNYJUIDWBR-KTKRTIGZSA-N 0 0 194.274 2.830 10 30 AFEERN N#CCc1c(F)cc(F)cc1Cl 307097951 345808108 /nfs/dbraw/zinc/80/81/08/345808108.db2.gz FZJUCALREDMFNM-UHFFFAOYSA-N 0 0 187.576 2.684 10 30 AFEERN CC[C@H](C)[C@]1(C#N)CCCCC1=O 307098210 345808292 /nfs/dbraw/zinc/80/82/92/345808292.db2.gz DUNQBWXWHITMAD-GXSJLCMTSA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@H](C)[C@@]1(C#N)CCCCC1=O 307098213 345808524 /nfs/dbraw/zinc/80/85/24/345808524.db2.gz DUNQBWXWHITMAD-ONGXEEELSA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@@H](C)[C@@]1(C#N)CCCCC1=O 307098211 345808560 /nfs/dbraw/zinc/80/85/60/345808560.db2.gz DUNQBWXWHITMAD-KOLCDFICSA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@@H](C)[C@]1(C#N)CCCCC1=O 307098212 345808673 /nfs/dbraw/zinc/80/86/73/345808673.db2.gz DUNQBWXWHITMAD-MWLCHTKSSA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@@](C)(C#N)C[C@@H]1CCCCO1 307104763 345812262 /nfs/dbraw/zinc/81/22/62/345812262.db2.gz BISWAOVSPOGCTJ-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@](C)(C#N)C[C@@H]1CCCCO1 307104762 345812299 /nfs/dbraw/zinc/81/22/99/345812299.db2.gz BISWAOVSPOGCTJ-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@](C)(C#N)C[C@H]1CCCCO1 307104761 345812374 /nfs/dbraw/zinc/81/23/74/345812374.db2.gz BISWAOVSPOGCTJ-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@@](C)(C#N)C[C@H]1CCCCO1 307104760 345812413 /nfs/dbraw/zinc/81/24/13/345812413.db2.gz BISWAOVSPOGCTJ-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN CC1CCC(CN(C)[C@H](C)C#N)CC1 307108658 345814282 /nfs/dbraw/zinc/81/42/82/345814282.db2.gz MKFLMHMORQNMFP-MOENNCHZSA-N 0 0 194.322 2.657 10 30 AFEERN CSc1cc(C#N)cc(F)c1F 307108213 345814405 /nfs/dbraw/zinc/81/44/05/345814405.db2.gz IVAOFQCNSDKVAD-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CC1CCC(CN(C)[C@@H](C)C#N)CC1 307108656 345814448 /nfs/dbraw/zinc/81/44/48/345814448.db2.gz MKFLMHMORQNMFP-CXQJBGSLSA-N 0 0 194.322 2.657 10 30 AFEERN CC#CCC[C@](C)(O)C1CCCC1 307110129 345815494 /nfs/dbraw/zinc/81/54/94/345815494.db2.gz BPYDYKPODDHWBK-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@@](C)(O)C1CCCC1 307110128 345815527 /nfs/dbraw/zinc/81/55/27/345815527.db2.gz BPYDYKPODDHWBK-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN C=C(C)C(=O)[C@@H](C)C(C)(C)C 307116202 345818994 /nfs/dbraw/zinc/81/89/94/345818994.db2.gz FFOATAFPGOZOBU-MRVPVSSYSA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C)C(=O)[C@H](C)C(C)(C)C 307116203 345819081 /nfs/dbraw/zinc/81/90/81/345819081.db2.gz FFOATAFPGOZOBU-QMMMGPOBSA-N 0 0 154.253 2.814 10 30 AFEERN Cc1ccc(CC#N)c(F)c1C 307118657 345819634 /nfs/dbraw/zinc/81/96/34/345819634.db2.gz XFSNYRSBLGFEEQ-UHFFFAOYSA-N 0 0 163.195 2.509 10 30 AFEERN CSc1cc(C#N)c(F)cc1F 307119408 345820333 /nfs/dbraw/zinc/82/03/33/345820333.db2.gz ZHCHGYVOYOTLQQ-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN N#CC1(Cc2c(F)cccc2F)CC1 307124605 345823182 /nfs/dbraw/zinc/82/31/82/345823182.db2.gz RUUBBOKJEQLMTG-UHFFFAOYSA-N 0 0 193.196 2.811 10 30 AFEERN Cc1ccc(C(=O)C2=COCC2)s1 307124537 345823193 /nfs/dbraw/zinc/82/31/93/345823193.db2.gz RNLOUDAGJNFIKE-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN CC1(C)CCC(C#N)(CCCO)CC1 307127341 345825653 /nfs/dbraw/zinc/82/56/53/345825653.db2.gz CFPMJWPFAOOOTA-UHFFFAOYSA-N 0 0 195.306 2.869 10 30 AFEERN CC#CCC[C@]1(C)CCC[C@@]1(C)O 307133699 345829226 /nfs/dbraw/zinc/82/92/26/345829226.db2.gz YACTVUVLSGWPST-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@@]1(C)CCC[C@@]1(C)O 307133697 345829304 /nfs/dbraw/zinc/82/93/04/345829304.db2.gz YACTVUVLSGWPST-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@@]1(C)CCC[C@]1(C)O 307133698 345829432 /nfs/dbraw/zinc/82/94/32/345829432.db2.gz YACTVUVLSGWPST-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@]1(C)CCC[C@]1(C)O 307133696 345829461 /nfs/dbraw/zinc/82/94/61/345829461.db2.gz YACTVUVLSGWPST-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN C/C=C1\Cc2cc(C)ccc2C1=O 307137212 345832136 /nfs/dbraw/zinc/83/21/36/345832136.db2.gz WPXQATLDVWDHKT-YCRREMRBSA-N 0 0 172.227 2.680 10 30 AFEERN C=CCCSCC(=C)C 307138810 345833252 /nfs/dbraw/zinc/83/32/52/345833252.db2.gz CDNVONJDIIOOBI-UHFFFAOYSA-N 0 0 142.267 2.872 10 30 AFEERN CC[C@@]1(C2CCCC2)CC(=O)C=CO1 307140397 345834194 /nfs/dbraw/zinc/83/41/94/345834194.db2.gz CRENBGITMLNGQX-LBPRGKRZSA-N 0 0 194.274 2.829 10 30 AFEERN CC[C@]1(C2CCCC2)CC(=O)C=CO1 307140394 345834199 /nfs/dbraw/zinc/83/41/99/345834199.db2.gz CRENBGITMLNGQX-GFCCVEGCSA-N 0 0 194.274 2.829 10 30 AFEERN CC(C)N[C@H](C#N)[C@@H]1CCCC[C@@H]1C 307141295 345834497 /nfs/dbraw/zinc/83/44/97/345834497.db2.gz DHGPJTDQXXRNAP-QJPTWQEYSA-N 0 0 194.322 2.703 10 30 AFEERN CC(C)N[C@H](C#N)[C@@H]1CCCC[C@H]1C 307141294 345834519 /nfs/dbraw/zinc/83/45/19/345834519.db2.gz DHGPJTDQXXRNAP-IJLUTSLNSA-N 0 0 194.322 2.703 10 30 AFEERN CC(C)N[C@H](C#N)[C@H]1CCCC[C@H]1C 307141292 345834587 /nfs/dbraw/zinc/83/45/87/345834587.db2.gz DHGPJTDQXXRNAP-GRYCIOLGSA-N 0 0 194.322 2.703 10 30 AFEERN CC(C)N[C@H](C#N)[C@H]1CCCC[C@@H]1C 307141297 345834733 /nfs/dbraw/zinc/83/47/33/345834733.db2.gz DHGPJTDQXXRNAP-SDDRHHMPSA-N 0 0 194.322 2.703 10 30 AFEERN N#Cc1ccc(NO)c2ccccc12 307143210 345836526 /nfs/dbraw/zinc/83/65/26/345836526.db2.gz GKKRBFHLYOKXQL-UHFFFAOYSA-N 0 0 184.198 2.513 10 30 AFEERN C#CC(C)(C)Nc1ncc(C)cc1C 307148114 345841507 /nfs/dbraw/zinc/84/15/07/345841507.db2.gz IKRLLZOARUKFRS-UHFFFAOYSA-N 0 0 188.274 2.522 10 30 AFEERN CC#CCC(=O)c1csc(C)c1 307149354 345841868 /nfs/dbraw/zinc/84/18/68/345841868.db2.gz RMBXKGRDSYEXFS-UHFFFAOYSA-N 0 0 178.256 2.653 10 30 AFEERN C[C@@]1(CC2CC2)CC[C@@H](CC#N)O1 307151510 345844090 /nfs/dbraw/zinc/84/40/90/345844090.db2.gz DIIZWFWNSWSMNM-QWRGUYRKSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@]1(CC2CC2)CC[C@@H](CC#N)O1 307151511 345844190 /nfs/dbraw/zinc/84/41/90/345844190.db2.gz DIIZWFWNSWSMNM-WDEREUQCSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@]1(CC2CC2)CC[C@H](CC#N)O1 307151509 345844368 /nfs/dbraw/zinc/84/43/68/345844368.db2.gz DIIZWFWNSWSMNM-MNOVXSKESA-N 0 0 179.263 2.638 10 30 AFEERN C[C@]1(CC2CC2)CC[C@H](CC#N)O1 307151508 345844505 /nfs/dbraw/zinc/84/45/05/345844505.db2.gz DIIZWFWNSWSMNM-GHMZBOCLSA-N 0 0 179.263 2.638 10 30 AFEERN C=C(C)CC1=CC(=O)C[C@@H](C)C1 307153285 345845755 /nfs/dbraw/zinc/84/57/55/345845755.db2.gz AKQXUEYTPPGWDG-VIFPVBQESA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)CC1=CC(=O)C[C@H](C)C1 307153282 345845931 /nfs/dbraw/zinc/84/59/31/345845931.db2.gz AKQXUEYTPPGWDG-SECBINFHSA-N 0 0 164.248 2.878 10 30 AFEERN C=CCSCCCCC#N 307164476 345856136 /nfs/dbraw/zinc/85/61/36/345856136.db2.gz GOHXSLTVXDCREF-UHFFFAOYSA-N 0 0 155.266 2.599 10 30 AFEERN N#CC1(C[C@@H]2CCCC[C@H]2O)CCC1 307168020 345860182 /nfs/dbraw/zinc/86/01/82/345860182.db2.gz TYDFULCDYQHOJU-WDEREUQCSA-N 0 0 193.290 2.621 10 30 AFEERN N#CC1(C[C@H]2CCCC[C@@H]2O)CCC1 307168018 345860199 /nfs/dbraw/zinc/86/01/99/345860199.db2.gz TYDFULCDYQHOJU-MNOVXSKESA-N 0 0 193.290 2.621 10 30 AFEERN N#CC1(C[C@@H]2CCCC[C@@H]2O)CCC1 307168019 345860308 /nfs/dbraw/zinc/86/03/08/345860308.db2.gz TYDFULCDYQHOJU-QWRGUYRKSA-N 0 0 193.290 2.621 10 30 AFEERN N#CC1(C[C@H]2CCCC[C@H]2O)CCC1 307168017 345860442 /nfs/dbraw/zinc/86/04/42/345860442.db2.gz TYDFULCDYQHOJU-GHMZBOCLSA-N 0 0 193.290 2.621 10 30 AFEERN CC#CCC[C@@]1(O)CCCC12CCC2 307168957 345861573 /nfs/dbraw/zinc/86/15/73/345861573.db2.gz WPJUJALMGHVNNK-CYBMUJFWSA-N 0 0 192.302 2.875 10 30 AFEERN CC#CCC[C@]1(O)CCCC12CCC2 307168958 345861714 /nfs/dbraw/zinc/86/17/14/345861714.db2.gz WPJUJALMGHVNNK-ZDUSSCGKSA-N 0 0 192.302 2.875 10 30 AFEERN CC(C)(C#N)[C@]1(O)CCCC12CCC2 307169733 345862190 /nfs/dbraw/zinc/86/21/90/345862190.db2.gz YYVGZMFQUGRBQJ-GFCCVEGCSA-N 0 0 193.290 2.621 10 30 AFEERN CC(C)(C#N)[C@@]1(O)CCCC12CCC2 307169734 345862340 /nfs/dbraw/zinc/86/23/40/345862340.db2.gz YYVGZMFQUGRBQJ-LBPRGKRZSA-N 0 0 193.290 2.621 10 30 AFEERN Cc1cc(F)c(F)c2cc(C#N)oc12 307170513 345862856 /nfs/dbraw/zinc/86/28/56/345862856.db2.gz KPUPPXNNXRAPGL-UHFFFAOYSA-N 0 0 193.152 2.891 10 30 AFEERN C=C[C@@H](CO)c1ccc(Cl)cc1 307174097 345865400 /nfs/dbraw/zinc/86/54/00/345865400.db2.gz DMQFXGGWPVZTBY-QMMMGPOBSA-N 0 0 182.650 2.602 10 30 AFEERN CC[C@](C)(C#N)Cc1cccc(C)n1 307179237 345869054 /nfs/dbraw/zinc/86/90/54/345869054.db2.gz KDYAJOCZUJPWEB-LBPRGKRZSA-N 0 0 188.274 2.872 10 30 AFEERN CC[C@@](C)(C#N)Cc1cccc(C)n1 307179236 345869296 /nfs/dbraw/zinc/86/92/96/345869296.db2.gz KDYAJOCZUJPWEB-GFCCVEGCSA-N 0 0 188.274 2.872 10 30 AFEERN C[C@H]([C@@H](O)C1(C#N)CCC1)C(C)(C)C 307179909 345869635 /nfs/dbraw/zinc/86/96/35/345869635.db2.gz KWLVYRBAWFELFP-NXEZZACHSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]([C@H](O)C1(C#N)CCC1)C(C)(C)C 307179910 345869776 /nfs/dbraw/zinc/86/97/76/345869776.db2.gz KWLVYRBAWFELFP-UWVGGRQHSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]([C@@H](O)C1(C#N)CCC1)C(C)(C)C 307179911 345869935 /nfs/dbraw/zinc/86/99/35/345869935.db2.gz KWLVYRBAWFELFP-VHSXEESVSA-N 0 0 195.306 2.723 10 30 AFEERN C[Si](C)(C)C#CC1=CCCC1 307182082 345871153 /nfs/dbraw/zinc/87/11/53/345871153.db2.gz STCGGKZKNJVQGA-UHFFFAOYSA-N 0 0 164.324 2.978 10 30 AFEERN C[C@@]1(C=O)CC[C@@H](c2ccsc2)O1 307184109 345872282 /nfs/dbraw/zinc/87/22/82/345872282.db2.gz DWKGWLFWHNIRTJ-UWVGGRQHSA-N 0 0 196.271 2.557 10 30 AFEERN C[C@]1(C=O)CC[C@H](c2ccsc2)O1 307184108 345872354 /nfs/dbraw/zinc/87/23/54/345872354.db2.gz DWKGWLFWHNIRTJ-NXEZZACHSA-N 0 0 196.271 2.557 10 30 AFEERN C[C@@]1(C=O)CC[C@H](c2ccsc2)O1 307184111 345872642 /nfs/dbraw/zinc/87/26/42/345872642.db2.gz DWKGWLFWHNIRTJ-ZJUUUORDSA-N 0 0 196.271 2.557 10 30 AFEERN CC(C)(C)[C@@H]1CCC[C@@H](CC#N)O1 307186053 345873596 /nfs/dbraw/zinc/87/35/96/345873596.db2.gz KXPLYEMVKAKVNE-UWVGGRQHSA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)(C)[C@H]1CCC[C@@H](CC#N)O1 307186054 345873682 /nfs/dbraw/zinc/87/36/82/345873682.db2.gz KXPLYEMVKAKVNE-VHSXEESVSA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)(C)[C@@H]1CCC[C@H](CC#N)O1 307186055 345873707 /nfs/dbraw/zinc/87/37/07/345873707.db2.gz KXPLYEMVKAKVNE-ZJUUUORDSA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)(C)[C@H]1CCC[C@H](CC#N)O1 307186052 345873750 /nfs/dbraw/zinc/87/37/50/345873750.db2.gz KXPLYEMVKAKVNE-NXEZZACHSA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@@](C)(C#N)CC1CCC(O)CC1 307190492 345876637 /nfs/dbraw/zinc/87/66/37/345876637.db2.gz XVCCJDOJBWNJLZ-HTAVTVPLSA-N 0 0 195.306 2.867 10 30 AFEERN CC1(C)CCC([C@H]2CO2)CC1 307190747 345876725 /nfs/dbraw/zinc/87/67/25/345876725.db2.gz ZZZJDKVBALZUOJ-SECBINFHSA-N 0 0 154.253 2.602 10 30 AFEERN CC1(C)CCC([C@@H]2CO2)CC1 307190748 345876766 /nfs/dbraw/zinc/87/67/66/345876766.db2.gz ZZZJDKVBALZUOJ-VIFPVBQESA-N 0 0 154.253 2.602 10 30 AFEERN CC[C@](C)(C#N)CC1CCC(O)CC1 307190493 345876823 /nfs/dbraw/zinc/87/68/23/345876823.db2.gz XVCCJDOJBWNJLZ-MCIGGMRASA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C)C(=O)c1ccc(C#N)cc1 307192941 345878319 /nfs/dbraw/zinc/87/83/19/345878319.db2.gz MRCSIRWYSVXLFK-VIFPVBQESA-N 0 0 187.242 2.787 10 30 AFEERN C=C(C(=O)[C@@H]1CC1(C)C)C(F)(F)F 307193197 345879255 /nfs/dbraw/zinc/87/92/55/345879255.db2.gz FQBFCEFHDRXXPC-LURJTMIESA-N 0 0 192.180 2.720 10 30 AFEERN C=C(C(=O)[C@H]1CC1(C)C)C(F)(F)F 307193198 345879268 /nfs/dbraw/zinc/87/92/68/345879268.db2.gz FQBFCEFHDRXXPC-ZCFIWIBFSA-N 0 0 192.180 2.720 10 30 AFEERN C=CCN(C#N)c1ccccc1Cl 307202672 345887090 /nfs/dbraw/zinc/88/70/90/345887090.db2.gz GBIZHRYBSXEOJD-UHFFFAOYSA-N 0 0 192.649 2.813 10 30 AFEERN Clc1cccc(N=NCC2CC2)n1 307206039 345889803 /nfs/dbraw/zinc/88/98/03/345889803.db2.gz HFTFHBMNWCADAX-IZZDOVSWSA-N 0 0 195.653 2.543 10 30 AFEERN CCC(C)N=Nc1cccc(Cl)n1 307209981 345893227 /nfs/dbraw/zinc/89/32/27/345893227.db2.gz QHEHNVULGWOJJX-KPKJPENVSA-N 0 0 197.669 2.933 10 30 AFEERN N#CCCNc1ccsc1Cl 307220100 345900356 /nfs/dbraw/zinc/90/03/56/345900356.db2.gz HRGNAGWPZDQRRP-UHFFFAOYSA-N 0 0 186.667 2.727 10 30 AFEERN C#CCCN1C[C@@H](C)c2ccccc21 307225859 345903344 /nfs/dbraw/zinc/90/33/44/345903344.db2.gz FCADZWZLNSVHRV-LLVKDONJSA-N 0 0 185.270 2.633 10 30 AFEERN C#CCCN1C[C@H](C)c2ccccc21 307225860 345903588 /nfs/dbraw/zinc/90/35/88/345903588.db2.gz FCADZWZLNSVHRV-NSHDSACASA-N 0 0 185.270 2.633 10 30 AFEERN CC#CCSc1cccs1 307227954 345905519 /nfs/dbraw/zinc/90/55/19/345905519.db2.gz GIQNAUSZZAMVCA-UHFFFAOYSA-N 0 0 168.286 2.864 10 30 AFEERN N#CC1(C/C=C/Cl)CCC1 307230211 345907007 /nfs/dbraw/zinc/90/70/07/345907007.db2.gz BBZUHQOTPLHWPY-QHHAFSJGSA-N 0 0 155.628 2.823 10 30 AFEERN N#CC1(CC2CC(F)(F)C2)CC1 307231122 345908283 /nfs/dbraw/zinc/90/82/83/345908283.db2.gz DFDSXPVRLNOKAZ-UHFFFAOYSA-N 0 0 171.190 2.726 10 30 AFEERN C=C(C)CC(=O)C1CC(F)(F)C1 307231868 345908916 /nfs/dbraw/zinc/90/89/16/345908916.db2.gz DKFXOJQAPHMJGA-UHFFFAOYSA-N 0 0 174.190 2.567 10 30 AFEERN C=C[C@@H](C)Nc1ccc(C)cc1OC 307235916 345911935 /nfs/dbraw/zinc/91/19/35/345911935.db2.gz FYFIAGSSGQZJAW-SNVBAGLBSA-N 0 0 191.274 2.990 10 30 AFEERN N#CC[C@@H]1CC[C@]2(CCC[C@@H]3C[C@@H]32)O1 307236619 345912539 /nfs/dbraw/zinc/91/25/39/345912539.db2.gz NSQSFMLGIXLWAJ-RHYQMDGZSA-N 0 0 191.274 2.638 10 30 AFEERN N#CC[C@@H]1CC[C@]2(CCC[C@H]3C[C@H]32)O1 307236620 345912651 /nfs/dbraw/zinc/91/26/51/345912651.db2.gz NSQSFMLGIXLWAJ-YFKTTZPYSA-N 0 0 191.274 2.638 10 30 AFEERN CC[C@H](C)NN=C1CC(C)(C)C1 307236681 345913117 /nfs/dbraw/zinc/91/31/17/345913117.db2.gz GGWMNJXAPMJEIR-QMMMGPOBSA-N 0 0 168.284 2.551 10 30 AFEERN CC[C@@H](C)NN=C1CC(C)(C)C1 307236680 345913168 /nfs/dbraw/zinc/91/31/68/345913168.db2.gz GGWMNJXAPMJEIR-MRVPVSSYSA-N 0 0 168.284 2.551 10 30 AFEERN C=CCc1cc(C)c(F)cc1O 307237750 345913470 /nfs/dbraw/zinc/91/34/70/345913470.db2.gz FIROKRAPQNUBQK-UHFFFAOYSA-N 0 0 166.195 2.568 10 30 AFEERN Cc1ccsc1C1=CCCC1=O 307237791 345913642 /nfs/dbraw/zinc/91/36/42/345913642.db2.gz FJLYNLDZQYXGMV-UHFFFAOYSA-N 0 0 178.256 2.803 10 30 AFEERN C#CC(=O)c1cccc2ccsc12 307239155 345914655 /nfs/dbraw/zinc/91/46/55/345914655.db2.gz FZXAXKSPUMZYCZ-UHFFFAOYSA-N 0 0 186.235 2.717 10 30 AFEERN CC[C@@]1(C#N)CCC[C@H]1C 307240093 345915184 /nfs/dbraw/zinc/91/51/84/345915184.db2.gz HYHPKSGOIFVMHH-BDAKNGLRSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@@]1(C#N)CCC[C@@H]1C 307240096 345915287 /nfs/dbraw/zinc/91/52/87/345915287.db2.gz HYHPKSGOIFVMHH-IUCAKERBSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@]1(C#N)CCC[C@H]1C 307240098 345915343 /nfs/dbraw/zinc/91/53/43/345915343.db2.gz HYHPKSGOIFVMHH-RKDXNWHRSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@]1(C#N)CCC[C@@H]1C 307240095 345915405 /nfs/dbraw/zinc/91/54/05/345915405.db2.gz HYHPKSGOIFVMHH-DTWKUNHWSA-N 0 0 137.226 2.726 10 30 AFEERN FC1(F)CCCC[C@@H]1CS 307242593 345917016 /nfs/dbraw/zinc/91/70/16/345917016.db2.gz SCBLWKKNAPOIBI-ZCFIWIBFSA-N 0 0 166.236 2.742 10 30 AFEERN C#CC[C@]1(C#N)CCCC[C@@H]1C 307243144 345917074 /nfs/dbraw/zinc/91/70/74/345917074.db2.gz JWIVNRYIUSPGBO-WDEREUQCSA-N 0 0 161.248 2.730 10 30 AFEERN FC1(F)CCCC[C@H]1CS 307242590 345917146 /nfs/dbraw/zinc/91/71/46/345917146.db2.gz SCBLWKKNAPOIBI-LURJTMIESA-N 0 0 166.236 2.742 10 30 AFEERN C#CC[C@]1(C#N)CCCC[C@H]1C 307243139 345917242 /nfs/dbraw/zinc/91/72/42/345917242.db2.gz JWIVNRYIUSPGBO-GHMZBOCLSA-N 0 0 161.248 2.730 10 30 AFEERN C#CC[C@@]1(C#N)CCCC[C@@H]1C 307243142 345917268 /nfs/dbraw/zinc/91/72/68/345917268.db2.gz JWIVNRYIUSPGBO-QWRGUYRKSA-N 0 0 161.248 2.730 10 30 AFEERN C#CC[C@@]1(C#N)CCCC[C@H]1C 307243140 345917329 /nfs/dbraw/zinc/91/73/29/345917329.db2.gz JWIVNRYIUSPGBO-MNOVXSKESA-N 0 0 161.248 2.730 10 30 AFEERN COC[C@H](C)[C@]1(C#N)CCC[C@@H]1C 307245555 345918803 /nfs/dbraw/zinc/91/88/03/345918803.db2.gz MIKXHPYSCICIQB-DCAQKATOSA-N 0 0 181.279 2.599 10 30 AFEERN COC[C@H](C)[C@@]1(C#N)CCC[C@@H]1C 307245556 345918842 /nfs/dbraw/zinc/91/88/42/345918842.db2.gz MIKXHPYSCICIQB-GARJFASQSA-N 0 0 181.279 2.599 10 30 AFEERN N#CCNc1cccc2ccsc12 307245420 345918886 /nfs/dbraw/zinc/91/88/86/345918886.db2.gz VYRDGZQJBKHMLE-UHFFFAOYSA-N 0 0 188.255 2.837 10 30 AFEERN COC[C@H](C)[C@]1(C#N)CCC[C@H]1C 307245558 345919147 /nfs/dbraw/zinc/91/91/47/345919147.db2.gz MIKXHPYSCICIQB-VWYCJHECSA-N 0 0 181.279 2.599 10 30 AFEERN COC[C@H](C)[C@@]1(C#N)CCC[C@H]1C 307245557 345919181 /nfs/dbraw/zinc/91/91/81/345919181.db2.gz MIKXHPYSCICIQB-OUAUKWLOSA-N 0 0 181.279 2.599 10 30 AFEERN C[C@H]1CCC[C@]1(C#N)c1nccs1 307249998 345921960 /nfs/dbraw/zinc/92/19/60/345921960.db2.gz PDIGBQVGZUCUHY-WCBMZHEXSA-N 0 0 192.287 2.724 10 30 AFEERN C[C@@H]1CCC[C@]1(C#N)c1nccs1 307249996 345921975 /nfs/dbraw/zinc/92/19/75/345921975.db2.gz PDIGBQVGZUCUHY-PSASIEDQSA-N 0 0 192.287 2.724 10 30 AFEERN C[C@H]1CCC[C@@]1(C#N)c1nccs1 307249999 345922034 /nfs/dbraw/zinc/92/20/34/345922034.db2.gz PDIGBQVGZUCUHY-WPRPVWTQSA-N 0 0 192.287 2.724 10 30 AFEERN C=C(C)C(=O)c1ccc(N)cc1Cl 307250124 345922039 /nfs/dbraw/zinc/92/20/39/345922039.db2.gz LAIDKSZRZNJNPD-UHFFFAOYSA-N 0 0 195.649 2.681 10 30 AFEERN C[C@@H]1CCC[C@@]1(C#N)c1nccs1 307249997 345922239 /nfs/dbraw/zinc/92/22/39/345922239.db2.gz PDIGBQVGZUCUHY-SCZZXKLOSA-N 0 0 192.287 2.724 10 30 AFEERN CC(C)OC[C@]1(C#N)CCC[C@H]1C 307250778 345922540 /nfs/dbraw/zinc/92/25/40/345922540.db2.gz PWJXMKDUPFDZKT-GHMZBOCLSA-N 0 0 181.279 2.741 10 30 AFEERN CC(C)OC[C@@]1(C#N)CCC[C@H]1C 307250779 345922644 /nfs/dbraw/zinc/92/26/44/345922644.db2.gz PWJXMKDUPFDZKT-MNOVXSKESA-N 0 0 181.279 2.741 10 30 AFEERN CC(C)OC[C@@]1(C#N)CCC[C@@H]1C 307250780 345922813 /nfs/dbraw/zinc/92/28/13/345922813.db2.gz PWJXMKDUPFDZKT-QWRGUYRKSA-N 0 0 181.279 2.741 10 30 AFEERN Cc1nc(C(=O)C2=CCCC2)cs1 307252016 345923792 /nfs/dbraw/zinc/92/37/92/345923792.db2.gz RGACUGMNAKDMFD-UHFFFAOYSA-N 0 0 193.271 2.745 10 30 AFEERN C=CC[C@@]1(C#N)CCC[C@@H]1C 307254441 345925967 /nfs/dbraw/zinc/92/59/67/345925967.db2.gz XVWZPMYSOUUBBX-UWVGGRQHSA-N 0 0 149.237 2.892 10 30 AFEERN C=CC[C@]1(C#N)CCC[C@@H]1C 307254442 345926025 /nfs/dbraw/zinc/92/60/25/345926025.db2.gz XVWZPMYSOUUBBX-VHSXEESVSA-N 0 0 149.237 2.892 10 30 AFEERN C=CC[C@@]1(C#N)CCC[C@H]1C 307254443 345926094 /nfs/dbraw/zinc/92/60/94/345926094.db2.gz XVWZPMYSOUUBBX-ZJUUUORDSA-N 0 0 149.237 2.892 10 30 AFEERN C=CC[C@]1(C#N)CCC[C@H]1C 307254440 345926238 /nfs/dbraw/zinc/92/62/38/345926238.db2.gz XVWZPMYSOUUBBX-NXEZZACHSA-N 0 0 149.237 2.892 10 30 AFEERN C[C@@H]1CCC[C@](C#N)(CC(C)(C)O)C1 307255872 345927171 /nfs/dbraw/zinc/92/71/71/345927171.db2.gz DGQANAILBLJIDF-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CCC[C@@](C#N)(CC(C)(C)O)C1 307255864 345927311 /nfs/dbraw/zinc/92/73/11/345927311.db2.gz DGQANAILBLJIDF-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H]1CCC[C@@](C#N)(CC(C)(C)O)C1 307255853 345927399 /nfs/dbraw/zinc/92/73/99/345927399.db2.gz DGQANAILBLJIDF-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H]1CCC[C@](C#N)(CC(C)(C)O)C1 307255843 345927407 /nfs/dbraw/zinc/92/74/07/345927407.db2.gz DGQANAILBLJIDF-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN Clc1ccnc(N=NC2CCC2)c1 307257069 345928523 /nfs/dbraw/zinc/92/85/23/345928523.db2.gz DYZZUVGCKYOTAK-UHFFFAOYSA-N 0 0 195.653 2.687 10 30 AFEERN C#Cc1cc(Cl)c(O)cc1Cl 307259887 345931003 /nfs/dbraw/zinc/93/10/03/345931003.db2.gz DADOCNSCXOTPQS-UHFFFAOYSA-N 0 0 187.025 2.680 10 30 AFEERN CCSc1cc(C#N)c(N)cc1C 307260575 345931353 /nfs/dbraw/zinc/93/13/53/345931353.db2.gz MXKPHMJNQQCMIN-UHFFFAOYSA-N 0 0 192.287 2.561 10 30 AFEERN CC(C)(O)CC1(C#N)CCCCC1 307261061 345931526 /nfs/dbraw/zinc/93/15/26/345931526.db2.gz OPBGTZPLQSYJFY-UHFFFAOYSA-N 0 0 181.279 2.621 10 30 AFEERN C=C(C1=CCCCC1=O)C(F)(F)F 307261747 345932222 /nfs/dbraw/zinc/93/22/22/345932222.db2.gz VPSZTGYECMLOCK-UHFFFAOYSA-N 0 0 190.164 2.784 10 30 AFEERN C[C@@H]1CC[C@](C#N)(CC(F)F)C1 307263825 345933771 /nfs/dbraw/zinc/93/37/71/345933771.db2.gz WLVFPWWRPACDSN-VXNVDRBHSA-N 0 0 173.206 2.972 10 30 AFEERN C[C@H]1CC[C@](C#N)(CC(F)F)C1 307263824 345933895 /nfs/dbraw/zinc/93/38/95/345933895.db2.gz WLVFPWWRPACDSN-IONNQARKSA-N 0 0 173.206 2.972 10 30 AFEERN C[C@H]1CC[C@@](C#N)(CC(F)F)C1 307263823 345933898 /nfs/dbraw/zinc/93/38/98/345933898.db2.gz WLVFPWWRPACDSN-CBAPKCEASA-N 0 0 173.206 2.972 10 30 AFEERN C[C@@H]1CC[C@@](C#N)(CC(F)F)C1 307263822 345933975 /nfs/dbraw/zinc/93/39/75/345933975.db2.gz WLVFPWWRPACDSN-APPZFPTMSA-N 0 0 173.206 2.972 10 30 AFEERN CC#CCC[C@H](O)c1ccsc1C 307277104 345942268 /nfs/dbraw/zinc/94/22/68/345942268.db2.gz ZNHZQDKFJLODRN-NSHDSACASA-N 0 0 194.299 2.893 10 30 AFEERN C=CC(=O)c1csc(C)c1C 307279196 345943720 /nfs/dbraw/zinc/94/37/20/345943720.db2.gz WKHXRIRJCWHFPZ-UHFFFAOYSA-N 0 0 166.245 2.734 10 30 AFEERN CC(C)(C=O)[C@@H]1CCOC2(CCC2)C1 307282653 345945875 /nfs/dbraw/zinc/94/58/75/345945875.db2.gz IVIKWWFESBWVOK-SNVBAGLBSA-N 0 0 196.290 2.561 10 30 AFEERN CC(C)(C=O)[C@H]1CCOC2(CCC2)C1 307282652 345946029 /nfs/dbraw/zinc/94/60/29/345946029.db2.gz IVIKWWFESBWVOK-JTQLQIEISA-N 0 0 196.290 2.561 10 30 AFEERN CC(C)(C#N)CCC1CCOCC1 307283391 345946168 /nfs/dbraw/zinc/94/61/68/345946168.db2.gz JVWXTZWOPSFCKQ-UHFFFAOYSA-N 0 0 181.279 2.743 10 30 AFEERN O=C1C=C(c2ccsn2)CCCC1 307286057 345947608 /nfs/dbraw/zinc/94/76/08/345947608.db2.gz PZJVYWXEDCFGLV-UHFFFAOYSA-N 0 0 193.271 2.670 10 30 AFEERN C=C(C)C(=O)c1ccc(F)cc1OC 307289807 345949776 /nfs/dbraw/zinc/94/97/76/345949776.db2.gz ZKDCJKBORAZNRQ-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN CCC(C)N=Nc1ccc(Cl)nc1 307290419 345950423 /nfs/dbraw/zinc/95/04/23/345950423.db2.gz MYZWOWJVQMMABI-KPKJPENVSA-N 0 0 197.669 2.933 10 30 AFEERN CCc1ccccc1C1=CCCC1=O 307291090 345950738 /nfs/dbraw/zinc/95/07/38/345950738.db2.gz JFGJZQJJCGMVNJ-UHFFFAOYSA-N 0 0 186.254 2.995 10 30 AFEERN CC[C@@H]1CCC[C@@](C#N)([C@H](C)CO)C1 307295318 345952568 /nfs/dbraw/zinc/95/25/68/345952568.db2.gz NPJQGPPFTSFMBB-IJLUTSLNSA-N 0 0 195.306 2.725 10 30 AFEERN CC#CCSCCCC 307295623 345952821 /nfs/dbraw/zinc/95/28/21/345952821.db2.gz DGKNFNCONYYARF-UHFFFAOYSA-N 0 0 142.267 2.543 10 30 AFEERN CC[C@@H]1CCC[C@](C#N)([C@@H](C)CO)C1 307295338 345952869 /nfs/dbraw/zinc/95/28/69/345952869.db2.gz NPJQGPPFTSFMBB-TUAOUCFPSA-N 0 0 195.306 2.725 10 30 AFEERN CC[C@@H]1CCC[C@@](C#N)([C@@H](C)CO)C1 307295330 345952988 /nfs/dbraw/zinc/95/29/88/345952988.db2.gz NPJQGPPFTSFMBB-QJPTWQEYSA-N 0 0 195.306 2.725 10 30 AFEERN CC[C@@H]1CCC[C@](C#N)([C@H](C)CO)C1 307295347 345953018 /nfs/dbraw/zinc/95/30/18/345953018.db2.gz NPJQGPPFTSFMBB-UTUOFQBUSA-N 0 0 195.306 2.725 10 30 AFEERN Cc1ccc(F)cc1C1=CCCC1=O 307306533 345959986 /nfs/dbraw/zinc/95/99/86/345959986.db2.gz TUAHMXRNIBSTKS-UHFFFAOYSA-N 0 0 190.217 2.880 10 30 AFEERN CCOc1ccc(C)c(CC#N)c1C 307306860 345960046 /nfs/dbraw/zinc/96/00/46/345960046.db2.gz DIMWONVTYUEGCX-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN CC[C@H](C#N)Sc1ccc(C)cn1 307312107 345963538 /nfs/dbraw/zinc/96/35/38/345963538.db2.gz GIOPLRFDAJKOJZ-SECBINFHSA-N 0 0 192.287 2.784 10 30 AFEERN CC[C@H](C)c1cc(C#N)c(N)s1 307315872 345966211 /nfs/dbraw/zinc/96/62/11/345966211.db2.gz MPZFLIMRILOTIY-LURJTMIESA-N 0 0 180.276 2.715 10 30 AFEERN CC[C@@H](C)c1cc(C#N)c(N)s1 307315873 345966352 /nfs/dbraw/zinc/96/63/52/345966352.db2.gz MPZFLIMRILOTIY-ZCFIWIBFSA-N 0 0 180.276 2.715 10 30 AFEERN C=CCSc1cc(F)cc(C#N)c1 307317214 345967127 /nfs/dbraw/zinc/96/71/27/345967127.db2.gz OHJBTEKZNOLICO-UHFFFAOYSA-N 0 0 193.246 2.975 10 30 AFEERN Cc1cscc1NC[C@@H](C)C#N 307322325 345970119 /nfs/dbraw/zinc/97/01/19/345970119.db2.gz YQBDUMOUBPDGKC-ZETCQYMHSA-N 0 0 180.276 2.628 10 30 AFEERN Cc1cscc1NC[C@H](C)C#N 307322324 345970172 /nfs/dbraw/zinc/97/01/72/345970172.db2.gz YQBDUMOUBPDGKC-SSDOTTSWSA-N 0 0 180.276 2.628 10 30 AFEERN [N-]=[N+]=Nc1ccnc2cccnc12 307324261 345971524 /nfs/dbraw/zinc/97/15/24/345971524.db2.gz RUZLYXXOBMHXJH-UHFFFAOYSA-N 0 0 171.163 2.572 10 30 AFEERN COc1ccc(C#C/C=C\Cl)cc1 307325790 345972717 /nfs/dbraw/zinc/97/27/17/345972717.db2.gz MDRYPIZSZFTHSZ-OQFOIZHKSA-N 0 0 192.645 2.799 10 30 AFEERN CC(C)C[C@H](C)[C@]1(C#N)CCCC1=O 307333405 345977047 /nfs/dbraw/zinc/97/70/47/345977047.db2.gz BBZXENIPSZYXFY-CMPLNLGQSA-N 0 0 193.290 2.932 10 30 AFEERN CC(C)C[C@@H](C)[C@]1(C#N)CCCC1=O 307333409 345977114 /nfs/dbraw/zinc/97/71/14/345977114.db2.gz BBZXENIPSZYXFY-ZYHUDNBSSA-N 0 0 193.290 2.932 10 30 AFEERN CC(C)C[C@@H](C)[C@@]1(C#N)CCCC1=O 307333407 345977255 /nfs/dbraw/zinc/97/72/55/345977255.db2.gz BBZXENIPSZYXFY-PWSUYJOCSA-N 0 0 193.290 2.932 10 30 AFEERN CC(C)C[C@H](C)[C@@]1(C#N)CCCC1=O 307333406 345977310 /nfs/dbraw/zinc/97/73/10/345977310.db2.gz BBZXENIPSZYXFY-JQWIXIFHSA-N 0 0 193.290 2.932 10 30 AFEERN CC(=O)/C=C/c1ccsc1C 307333994 345977615 /nfs/dbraw/zinc/97/76/15/345977615.db2.gz LVAZOCTWJSRFIW-ONEGZZNKSA-N 0 0 166.245 2.659 10 30 AFEERN CC(C)=CC(=O)c1ccc(C)cn1 307334027 345977768 /nfs/dbraw/zinc/97/77/68/345977768.db2.gz CWXDADIWWBCFGV-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN CC(C)[C@@]1(C=O)CC[C@H](C)C1 307337358 345979388 /nfs/dbraw/zinc/97/93/88/345979388.db2.gz FYKSHKKRNBAQRC-UWVGGRQHSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)[C@]1(C=O)CC[C@@H](C)C1 307337356 345979419 /nfs/dbraw/zinc/97/94/19/345979419.db2.gz FYKSHKKRNBAQRC-NXEZZACHSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)[C@@]1(C=O)CC[C@@H](C)C1 307337360 345979425 /nfs/dbraw/zinc/97/94/25/345979425.db2.gz FYKSHKKRNBAQRC-ZJUUUORDSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)[C@]1(C=O)CC[C@H](C)C1 307337359 345979490 /nfs/dbraw/zinc/97/94/90/345979490.db2.gz FYKSHKKRNBAQRC-VHSXEESVSA-N 0 0 154.253 2.648 10 30 AFEERN Cc1cc(F)c(F)cc1OCCC#N 307339727 345981021 /nfs/dbraw/zinc/98/10/21/345981021.db2.gz ILGNNTMWWYHTAY-UHFFFAOYSA-N 0 0 197.184 2.566 10 30 AFEERN C[C@@]1(C(=O)C2=CCCCC2)C[C@H]1F 307339242 345981207 /nfs/dbraw/zinc/98/12/07/345981207.db2.gz WCBCGEQIQLWXRW-MWLCHTKSSA-N 0 0 182.238 2.804 10 30 AFEERN C[C@]1(C(=O)C2=CCCCC2)C[C@@H]1F 307339243 345981213 /nfs/dbraw/zinc/98/12/13/345981213.db2.gz WCBCGEQIQLWXRW-ONGXEEELSA-N 0 0 182.238 2.804 10 30 AFEERN C[C@@]1(C(=O)C2=CCCCC2)C[C@@H]1F 307339240 345981420 /nfs/dbraw/zinc/98/14/20/345981420.db2.gz WCBCGEQIQLWXRW-GXSJLCMTSA-N 0 0 182.238 2.804 10 30 AFEERN C=CCSc1cc(C)ncc1C#N 307339841 345981677 /nfs/dbraw/zinc/98/16/77/345981677.db2.gz WZHCYBQKZNWUHK-UHFFFAOYSA-N 0 0 190.271 2.540 10 30 AFEERN Cc1cc(Cl)cc(F)c1CC#N 307340578 345981949 /nfs/dbraw/zinc/98/19/49/345981949.db2.gz JALIGCPLZQVGIX-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN CC(=O)/C(C)=C/c1cc(C)[nH]c1C 307341077 345981953 /nfs/dbraw/zinc/98/19/53/345981953.db2.gz UUJLNEWPZZLTLL-FNORWQNLSA-N 0 0 177.247 2.624 10 30 AFEERN CC(C)=CC(=O)c1cc(F)ncc1F 307341938 345982632 /nfs/dbraw/zinc/98/26/32/345982632.db2.gz ZXIVOEBGVBPKFO-UHFFFAOYSA-N 0 0 197.184 2.509 10 30 AFEERN CCC1CCC(O)(C2(C#N)CC2)CC1 307346010 345984914 /nfs/dbraw/zinc/98/49/14/345984914.db2.gz LGTYOXVBOZUQGO-UHFFFAOYSA-N 0 0 193.290 2.621 10 30 AFEERN CCC[C@]1([C@@H]2CC2(C)C)CO1 307346514 345985386 /nfs/dbraw/zinc/98/53/86/345985386.db2.gz PDYZTUQKDGSWDK-PSASIEDQSA-N 0 0 154.253 2.602 10 30 AFEERN CCC[C@@]1([C@H]2CC2(C)C)CO1 307346520 345985412 /nfs/dbraw/zinc/98/54/12/345985412.db2.gz PDYZTUQKDGSWDK-WPRPVWTQSA-N 0 0 154.253 2.602 10 30 AFEERN CC(C)(C)C[C@]1(C)CC(=O)C=CO1 307347000 345985513 /nfs/dbraw/zinc/98/55/13/345985513.db2.gz XHPIRWCYDWQMCZ-NSHDSACASA-N 0 0 182.263 2.684 10 30 AFEERN CCC[C@]1([C@H]2CC2(C)C)CO1 307346518 345985533 /nfs/dbraw/zinc/98/55/33/345985533.db2.gz PDYZTUQKDGSWDK-WCBMZHEXSA-N 0 0 154.253 2.602 10 30 AFEERN CC(C)(C)C[C@@]1(C)CC(=O)C=CO1 307346999 345985565 /nfs/dbraw/zinc/98/55/65/345985565.db2.gz XHPIRWCYDWQMCZ-LLVKDONJSA-N 0 0 182.263 2.684 10 30 AFEERN CCC[C@@]1([C@@H]2CC2(C)C)CO1 307346516 345985569 /nfs/dbraw/zinc/98/55/69/345985569.db2.gz PDYZTUQKDGSWDK-SCZZXKLOSA-N 0 0 154.253 2.602 10 30 AFEERN SCc1cnc(Cl)cc1Cl 307352248 345988788 /nfs/dbraw/zinc/98/87/88/345988788.db2.gz VABZNWHMJDQMEG-UHFFFAOYSA-N 0 0 194.086 2.818 10 30 AFEERN C#CC[C@H](O)[C@@H]1CCCC[C@H]1CC 307356804 345991675 /nfs/dbraw/zinc/99/16/75/345991675.db2.gz ZWQKQUXNRCEOLM-UTUOFQBUSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@H](O)[C@H]1CCCC[C@@H]1CC 307356802 345991763 /nfs/dbraw/zinc/99/17/63/345991763.db2.gz ZWQKQUXNRCEOLM-SRVKXCTJSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@H](O)[C@H]1CCCC[C@H]1CC 307356805 345991790 /nfs/dbraw/zinc/99/17/90/345991790.db2.gz ZWQKQUXNRCEOLM-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@H](O)[C@@H]1CCCC[C@@H]1CC 307356803 345991934 /nfs/dbraw/zinc/99/19/34/345991934.db2.gz ZWQKQUXNRCEOLM-TUAOUCFPSA-N 0 0 180.291 2.587 10 30 AFEERN CC=C=CC(=O)c1cc(C)cs1 307358004 345992436 /nfs/dbraw/zinc/99/24/36/345992436.db2.gz XVMPGTQCCZDIEJ-UHFFFAOYSA-N 0 0 178.256 2.653 10 30 AFEERN CC(C)O[C@@]1(C#N)CC2CCC1CC2 307362215 345995044 /nfs/dbraw/zinc/99/50/44/345995044.db2.gz FYWIDVWPXVUOQH-HTAVTVPLSA-N 0 0 193.290 2.884 10 30 AFEERN CC(C)O[C@]1(C#N)CC2CCC1CC2 307362216 345995082 /nfs/dbraw/zinc/99/50/82/345995082.db2.gz FYWIDVWPXVUOQH-MCIGGMRASA-N 0 0 193.290 2.884 10 30 AFEERN C=CC[C@@H](C)Nc1c(N)cccc1F 307365479 345996931 /nfs/dbraw/zinc/99/69/31/345996931.db2.gz JUBSVGANFYWLTR-MRVPVSSYSA-N 0 0 194.253 2.784 10 30 AFEERN C=CC[C@H](C)Nc1c(N)cccc1F 307365480 345997083 /nfs/dbraw/zinc/99/70/83/345997083.db2.gz JUBSVGANFYWLTR-QMMMGPOBSA-N 0 0 194.253 2.784 10 30 AFEERN C=C(C)[C@H](O)c1ccc(Cl)cc1N 307367459 345998641 /nfs/dbraw/zinc/99/86/41/345998641.db2.gz OQLLNTUENGJTMM-JTQLQIEISA-N 0 0 197.665 2.532 10 30 AFEERN C=C(C)[C@@H](O)c1ccc(Cl)cc1N 307367460 345998520 /nfs/dbraw/zinc/99/85/20/345998520.db2.gz OQLLNTUENGJTMM-SNVBAGLBSA-N 0 0 197.665 2.532 10 30 AFEERN CC(=O)/C=C1/CC2CCC1CC2 307372253 346001271 /nfs/dbraw/zinc/00/12/71/346001271.db2.gz QOQQAPBOTRPPGY-WDZFZDKYSA-N 0 0 164.248 2.712 10 30 AFEERN Clc1cccc(N=NC2CCC2)n1 307371998 346001672 /nfs/dbraw/zinc/00/16/72/346001672.db2.gz UQWGAUVPUZBFJJ-UHFFFAOYSA-N 0 0 195.653 2.687 10 30 AFEERN CC[C@@H]1CCC[C@H]([C@H](O)[C@H](C)C#N)C1 307373424 346001861 /nfs/dbraw/zinc/00/18/61/346001861.db2.gz WOTZSYMNCQAFLF-WISYIIOYSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H]1CCC[C@H]([C@H](O)[C@@H](C)C#N)C1 307373423 346002238 /nfs/dbraw/zinc/00/22/38/346002238.db2.gz WOTZSYMNCQAFLF-WHOHXGKFSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H]1CCC[C@H]([C@@H](O)[C@@H](C)C#N)C1 307373422 346002260 /nfs/dbraw/zinc/00/22/60/346002260.db2.gz WOTZSYMNCQAFLF-USZNOCQGSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H]1CCC[C@H]([C@@H](O)[C@H](C)C#N)C1 307373425 346002275 /nfs/dbraw/zinc/00/22/75/346002275.db2.gz WOTZSYMNCQAFLF-WYUUTHIRSA-N 0 0 195.306 2.723 10 30 AFEERN Cc1cocc1C1=CCCCC1=O 307377320 346004241 /nfs/dbraw/zinc/00/42/41/346004241.db2.gz WUNNNKQPXCEEDW-UHFFFAOYSA-N 0 0 176.215 2.724 10 30 AFEERN C=C(Cl)CN(C)c1ccc(O)cc1 307379992 346005906 /nfs/dbraw/zinc/00/59/06/346005906.db2.gz ZJAUAFFGWSXGBD-UHFFFAOYSA-N 0 0 197.665 2.581 10 30 AFEERN Cc1cc2cc(C#N)oc2cc1F 307382411 346007032 /nfs/dbraw/zinc/00/70/32/346007032.db2.gz BRYPTNTYOSHAOS-UHFFFAOYSA-N 0 0 175.162 2.752 10 30 AFEERN C=C(C)[C@@H](O)[C@H](C)C(C)(C)C 307389220 346011104 /nfs/dbraw/zinc/01/11/04/346011104.db2.gz PZJUDEZBUCGOGQ-DTWKUNHWSA-N 0 0 156.269 2.606 10 30 AFEERN C=C(C)[C@@H](O)[C@@H](C)C(C)(C)C 307389222 346011165 /nfs/dbraw/zinc/01/11/65/346011165.db2.gz PZJUDEZBUCGOGQ-RKDXNWHRSA-N 0 0 156.269 2.606 10 30 AFEERN C=C(C)[C@H](O)[C@@H](C)C(C)(C)C 307389219 346011305 /nfs/dbraw/zinc/01/13/05/346011305.db2.gz PZJUDEZBUCGOGQ-BDAKNGLRSA-N 0 0 156.269 2.606 10 30 AFEERN C=C(C)[C@H](O)[C@H](C)C(C)(C)C 307389221 346011310 /nfs/dbraw/zinc/01/13/10/346011310.db2.gz PZJUDEZBUCGOGQ-IUCAKERBSA-N 0 0 156.269 2.606 10 30 AFEERN CCCc1cc(C#N)c(=S)[nH]c1C 307392442 346012903 /nfs/dbraw/zinc/01/29/03/346012903.db2.gz YMHZOSYGYIGRHW-UHFFFAOYSA-N 0 0 192.287 2.503 10 30 AFEERN C=CC(=O)c1c(F)cc(C)cc1F 307393411 346013778 /nfs/dbraw/zinc/01/37/78/346013778.db2.gz LUWKSOUUDOMHJU-UHFFFAOYSA-N 0 0 182.169 2.642 10 30 AFEERN CC#C[C@@](C)(O)[C@H]1CC2CCC1CC2 307397130 346016163 /nfs/dbraw/zinc/01/61/63/346016163.db2.gz QKHAMNVIJAPOPL-IFWUJCSASA-N 0 0 192.302 2.587 10 30 AFEERN CC#C[C@](C)(O)[C@@H]1CC2CCC1CC2 307397131 346016204 /nfs/dbraw/zinc/01/62/04/346016204.db2.gz QKHAMNVIJAPOPL-TUUUFIMRSA-N 0 0 192.302 2.587 10 30 AFEERN CC#C[C@@](C)(O)[C@@H]1CC2CCC1CC2 307397129 346016278 /nfs/dbraw/zinc/01/62/78/346016278.db2.gz QKHAMNVIJAPOPL-FIYWTHMPSA-N 0 0 192.302 2.587 10 30 AFEERN CC#C[C@](C)(O)[C@H]1CC2CCC1CC2 307397132 346016431 /nfs/dbraw/zinc/01/64/31/346016431.db2.gz QKHAMNVIJAPOPL-TYUFSLCMSA-N 0 0 192.302 2.587 10 30 AFEERN Cc1cc(C(=O)C2=CCCO2)cs1 307399536 346017846 /nfs/dbraw/zinc/01/78/46/346017846.db2.gz XBXNOKDNAVQWSV-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN C=CCC[C@@]1(O)CCCC1(C)C 307400132 346018400 /nfs/dbraw/zinc/01/84/00/346018400.db2.gz ZBJUXBCPFXXMJK-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC[C@]1(O)CCCC1(C)C 307400133 346018453 /nfs/dbraw/zinc/01/84/53/346018453.db2.gz ZBJUXBCPFXXMJK-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)C[C@@H](C)N1CCCC[C@@H]1C#N 307402692 346019897 /nfs/dbraw/zinc/01/98/97/346019897.db2.gz BWDLTMFREBYPKH-VXGBXAGGSA-N 0 0 194.322 2.799 10 30 AFEERN CC(C)C[C@H](C)N1CCCC[C@@H]1C#N 307402684 346019937 /nfs/dbraw/zinc/01/99/37/346019937.db2.gz BWDLTMFREBYPKH-NWDGAFQWSA-N 0 0 194.322 2.799 10 30 AFEERN CC(C)C[C@@H](C)N1CCCC[C@H]1C#N 307402678 346019968 /nfs/dbraw/zinc/01/99/68/346019968.db2.gz BWDLTMFREBYPKH-NEPJUHHUSA-N 0 0 194.322 2.799 10 30 AFEERN CC(C)C[C@H](C)N1CCCC[C@H]1C#N 307402688 346020064 /nfs/dbraw/zinc/02/00/64/346020064.db2.gz BWDLTMFREBYPKH-RYUDHWBXSA-N 0 0 194.322 2.799 10 30 AFEERN C/C=C/C(=O)c1cccc(F)c1C 307403999 346021561 /nfs/dbraw/zinc/02/15/61/346021561.db2.gz JFNRNYQWPKYGFZ-HWKANZROSA-N 0 0 178.206 2.893 10 30 AFEERN CC#CCSCCCCC 307405923 346023285 /nfs/dbraw/zinc/02/32/85/346023285.db2.gz CXWZSAPIOMFXFW-UHFFFAOYSA-N 0 0 156.294 2.933 10 30 AFEERN C#CCC[C@H](O)[C@@H]1CC2CCC1CC2 307407773 346024187 /nfs/dbraw/zinc/02/41/87/346024187.db2.gz OESNPONALNGSJL-TUUUFIMRSA-N 0 0 192.302 2.587 10 30 AFEERN C#CCC[C@H](O)[C@H]1CC2CCC1CC2 307407774 346024318 /nfs/dbraw/zinc/02/43/18/346024318.db2.gz OESNPONALNGSJL-TYUFSLCMSA-N 0 0 192.302 2.587 10 30 AFEERN C#CCC[C@@H](O)[C@@H]1CC2CCC1CC2 307407771 346024356 /nfs/dbraw/zinc/02/43/56/346024356.db2.gz OESNPONALNGSJL-FIYWTHMPSA-N 0 0 192.302 2.587 10 30 AFEERN C#CCC[C@@H](O)[C@H]1CC2CCC1CC2 307407772 346024397 /nfs/dbraw/zinc/02/43/97/346024397.db2.gz OESNPONALNGSJL-IFWUJCSASA-N 0 0 192.302 2.587 10 30 AFEERN Cc1nc(N=[N+]=[N-])c(Cl)cc1C#N 307409314 346025611 /nfs/dbraw/zinc/02/56/11/346025611.db2.gz FVLKJBFTXFXYKC-UHFFFAOYSA-N 0 0 193.597 2.857 10 30 AFEERN N#CC1(CCc2ccccn2)CCC1 307410506 346026847 /nfs/dbraw/zinc/02/68/47/346026847.db2.gz GQQHXJACZKUSQF-UHFFFAOYSA-N 0 0 186.258 2.708 10 30 AFEERN CC(C)C1(C#N)Cc2ccccc2C1 307411632 346027343 /nfs/dbraw/zinc/02/73/43/346027343.db2.gz QDOVOICYFFPHNO-UHFFFAOYSA-N 0 0 185.270 2.951 10 30 AFEERN CC#CCOc1ccc(Cl)cc1F 307413670 346027980 /nfs/dbraw/zinc/02/79/80/346027980.db2.gz HMRHTZHPBFUQAB-UHFFFAOYSA-N 0 0 198.624 2.881 10 30 AFEERN Cc1cc(F)cc(C#N)c1Cl 307416757 346029962 /nfs/dbraw/zinc/02/99/62/346029962.db2.gz ZIEMHXJTFWEJRX-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CC[C@@H](C)CC1(C#N)CC1 307426603 346034160 /nfs/dbraw/zinc/03/41/60/346034160.db2.gz XKUFJBYYMHDYEB-MRVPVSSYSA-N 0 0 137.226 2.726 10 30 AFEERN [N-]=[N+]=Nc1ncc2sccc2n1 307425604 346034214 /nfs/dbraw/zinc/03/42/14/346034214.db2.gz OZTNWNSKXDLPPJ-UHFFFAOYSA-N 0 0 177.192 2.633 10 30 AFEERN CC[C@H](C)CC1(C#N)CC1 307426605 346034261 /nfs/dbraw/zinc/03/42/61/346034261.db2.gz XKUFJBYYMHDYEB-QMMMGPOBSA-N 0 0 137.226 2.726 10 30 AFEERN CC#CCCC1=CC(=O)C[C@H](C)C1 307427434 346034718 /nfs/dbraw/zinc/03/47/18/346034718.db2.gz GOUAYRGOSYECGY-SNVBAGLBSA-N 0 0 176.259 2.715 10 30 AFEERN Cc1cc(F)cc(Cl)c1CC#N 307430385 346036207 /nfs/dbraw/zinc/03/62/07/346036207.db2.gz VRSJUJQQAXFXOR-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN Cc1nc(C2=CC(=O)CCC2)cs1 307431074 346036395 /nfs/dbraw/zinc/03/63/95/346036395.db2.gz XCRWZJIHNDPHME-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN O=C[C@H]1CCC[C@@H](c2ccsc2)O1 307433960 346037781 /nfs/dbraw/zinc/03/77/81/346037781.db2.gz LIRTWEHZEMMEJW-ZJUUUORDSA-N 0 0 196.271 2.557 10 30 AFEERN C[C@H]1C[C@@H]1c1ccc(C#N)c(Cl)n1 307434001 346037914 /nfs/dbraw/zinc/03/79/14/346037914.db2.gz LOKUGZPZQPPGCF-XPUUQOCRSA-N 0 0 192.649 2.730 10 30 AFEERN C[C@@H]1C[C@@H]1c1ccc(C#N)c(Cl)n1 307434000 346037951 /nfs/dbraw/zinc/03/79/51/346037951.db2.gz LOKUGZPZQPPGCF-SVRRBLITSA-N 0 0 192.649 2.730 10 30 AFEERN C[C@@H]1C[C@H]1c1ccc(C#N)c(Cl)n1 307433998 346037987 /nfs/dbraw/zinc/03/79/87/346037987.db2.gz LOKUGZPZQPPGCF-HTRCEHHLSA-N 0 0 192.649 2.730 10 30 AFEERN O=C[C@@H]1CCC[C@@H](c2ccsc2)O1 307433958 346038079 /nfs/dbraw/zinc/03/80/79/346038079.db2.gz LIRTWEHZEMMEJW-UWVGGRQHSA-N 0 0 196.271 2.557 10 30 AFEERN C[C@H]1C[C@H]1c1ccc(C#N)c(Cl)n1 307433999 346038121 /nfs/dbraw/zinc/03/81/21/346038121.db2.gz LOKUGZPZQPPGCF-POYBYMJQSA-N 0 0 192.649 2.730 10 30 AFEERN O=C[C@H]1CCC[C@H](c2ccsc2)O1 307433957 346038156 /nfs/dbraw/zinc/03/81/56/346038156.db2.gz LIRTWEHZEMMEJW-NXEZZACHSA-N 0 0 196.271 2.557 10 30 AFEERN O=C[C@@H]1CCC[C@H](c2ccsc2)O1 307433959 346038190 /nfs/dbraw/zinc/03/81/90/346038190.db2.gz LIRTWEHZEMMEJW-VHSXEESVSA-N 0 0 196.271 2.557 10 30 AFEERN C#C[C@H](CC)Nc1cscc1C 307434630 346038501 /nfs/dbraw/zinc/03/85/01/346038501.db2.gz MGGZKOKAJFVCMH-SECBINFHSA-N 0 0 179.288 2.880 10 30 AFEERN C[C@H]1CCCC[C@]1(C=O)C1CC1 307435566 346038537 /nfs/dbraw/zinc/03/85/37/346038537.db2.gz OCHKLANRIBUUBS-GXSJLCMTSA-N 0 0 166.264 2.792 10 30 AFEERN C[C@H]1CCCC[C@@]1(C=O)C1CC1 307435569 346038553 /nfs/dbraw/zinc/03/85/53/346038553.db2.gz OCHKLANRIBUUBS-ONGXEEELSA-N 0 0 166.264 2.792 10 30 AFEERN C#C[C@@H](CC)Nc1cscc1C 307434632 346038652 /nfs/dbraw/zinc/03/86/52/346038652.db2.gz MGGZKOKAJFVCMH-VIFPVBQESA-N 0 0 179.288 2.880 10 30 AFEERN C[C@@H]1CCCC[C@@]1(C=O)C1CC1 307435567 346038697 /nfs/dbraw/zinc/03/86/97/346038697.db2.gz OCHKLANRIBUUBS-KOLCDFICSA-N 0 0 166.264 2.792 10 30 AFEERN Cc1cccc(C)c1CC1(C=O)CC1 307446996 346045601 /nfs/dbraw/zinc/04/56/01/346045601.db2.gz XGKSVOJHRLPXAF-UHFFFAOYSA-N 0 0 188.270 2.825 10 30 AFEERN Cc1cocc1C1=CC(=O)CCC1 307448239 346046466 /nfs/dbraw/zinc/04/64/66/346046466.db2.gz YRSYSGRWZOZWEG-UHFFFAOYSA-N 0 0 176.215 2.724 10 30 AFEERN C#CCC[C@H](O)c1csc(C)c1 307452377 346048720 /nfs/dbraw/zinc/04/87/20/346048720.db2.gz SWTITAYAVANVIQ-JTQLQIEISA-N 0 0 180.272 2.503 10 30 AFEERN C#CCC[C@@H](O)c1csc(C)c1 307452378 346048879 /nfs/dbraw/zinc/04/88/79/346048879.db2.gz SWTITAYAVANVIQ-SNVBAGLBSA-N 0 0 180.272 2.503 10 30 AFEERN CCC[C@@H]1CC[C@](C)(CC#N)O1 307453751 346049747 /nfs/dbraw/zinc/04/97/47/346049747.db2.gz UMUIKBQACSAERX-NXEZZACHSA-N 0 0 167.252 2.638 10 30 AFEERN CCC[C@H]1CC[C@@](C)(CC#N)O1 307453752 346049813 /nfs/dbraw/zinc/04/98/13/346049813.db2.gz UMUIKBQACSAERX-UWVGGRQHSA-N 0 0 167.252 2.638 10 30 AFEERN CCC[C@@H]1CC[C@@](C)(CC#N)O1 307453754 346050040 /nfs/dbraw/zinc/05/00/40/346050040.db2.gz UMUIKBQACSAERX-ZJUUUORDSA-N 0 0 167.252 2.638 10 30 AFEERN CCC[C@H]1CC[C@](C)(CC#N)O1 307453753 346050058 /nfs/dbraw/zinc/05/00/58/346050058.db2.gz UMUIKBQACSAERX-VHSXEESVSA-N 0 0 167.252 2.638 10 30 AFEERN C#CCCCNc1cscc1C 307457134 346052269 /nfs/dbraw/zinc/05/22/69/346052269.db2.gz YSIVUJAMJHVWCK-UHFFFAOYSA-N 0 0 179.288 2.882 10 30 AFEERN CCCC1=CC(=O)C[C@@H](C)C1 307461002 346054199 /nfs/dbraw/zinc/05/41/99/346054199.db2.gz FSYUQAWXTWTDSE-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN CCCC1=CC(=O)C[C@H](C)C1 307461000 346054280 /nfs/dbraw/zinc/05/42/80/346054280.db2.gz FSYUQAWXTWTDSE-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN O=C(C1=CCCC1)C1CC(F)(F)C1 307463810 346055936 /nfs/dbraw/zinc/05/59/36/346055936.db2.gz GSPUGZPKOLAFFA-UHFFFAOYSA-N 0 0 186.201 2.711 10 30 AFEERN N#CC[C@@H]1CCCC2(CCCC2)O1 307470936 346059808 /nfs/dbraw/zinc/05/98/08/346059808.db2.gz WGMNGRTXVJLNKU-JTQLQIEISA-N 0 0 179.263 2.782 10 30 AFEERN N#CC[C@H]1CCCC2(CCCC2)O1 307470937 346060044 /nfs/dbraw/zinc/06/00/44/346060044.db2.gz WGMNGRTXVJLNKU-SNVBAGLBSA-N 0 0 179.263 2.782 10 30 AFEERN CC(C)(C)C#CCC(=O)C(C)(F)F 307471426 346060476 /nfs/dbraw/zinc/06/04/76/346060476.db2.gz RHHGUGCGVGFNFY-UHFFFAOYSA-N 0 0 188.217 2.650 10 30 AFEERN N#CC1(CCF)Cc2ccccc2C1 307483594 346067660 /nfs/dbraw/zinc/06/76/60/346067660.db2.gz HNQXPHJRLPVWFI-UHFFFAOYSA-N 0 0 189.233 2.655 10 30 AFEERN Cc1cscc1C(=O)C1=COCC1 307483767 346067664 /nfs/dbraw/zinc/06/76/64/346067664.db2.gz AGDTZRVDAMPLKM-UHFFFAOYSA-N 0 0 194.255 2.543 10 30 AFEERN N#Cc1ccc(NC2CCCC2)o1 307484522 346068171 /nfs/dbraw/zinc/06/81/71/346068171.db2.gz AXAKUDFXJJGYIN-UHFFFAOYSA-N 0 0 176.219 2.506 10 30 AFEERN C=C(CC)Cn1ccc(Cl)n1 307485735 346069250 /nfs/dbraw/zinc/06/92/50/346069250.db2.gz BHOPFTIGJDPKHP-UHFFFAOYSA-N 0 0 170.643 2.503 10 30 AFEERN CC[C@@](C)(C#N)c1nc(C)cs1 307488602 346070054 /nfs/dbraw/zinc/07/00/54/346070054.db2.gz FAZPWADYAIIWLA-VIFPVBQESA-N 0 0 180.276 2.643 10 30 AFEERN CC[C@](C)(C#N)c1nc(C)cs1 307488601 346070069 /nfs/dbraw/zinc/07/00/69/346070069.db2.gz FAZPWADYAIIWLA-SECBINFHSA-N 0 0 180.276 2.643 10 30 AFEERN C#CCNc1ccc(C(F)F)cc1 307487799 346070171 /nfs/dbraw/zinc/07/01/71/346070171.db2.gz OFHPNABDPBJPEJ-UHFFFAOYSA-N 0 0 181.185 2.669 10 30 AFEERN C[C@H]1CC(=O)C=C(c2ccsn2)C1 307493251 346072733 /nfs/dbraw/zinc/07/27/33/346072733.db2.gz QLFGQILYZODYMP-SSDOTTSWSA-N 0 0 193.271 2.526 10 30 AFEERN C[C@@H]1CC(=O)C=C(c2ccsn2)C1 307493253 346072943 /nfs/dbraw/zinc/07/29/43/346072943.db2.gz QLFGQILYZODYMP-ZETCQYMHSA-N 0 0 193.271 2.526 10 30 AFEERN Cc1cnc(N=[N+]=[N-])c(C)c1 307506322 346079900 /nfs/dbraw/zinc/07/99/00/346079900.db2.gz LQVCNLXJSHIUGJ-UHFFFAOYSA-N 0 0 148.169 2.640 10 30 AFEERN Cc1cscc1N[C@H](C)CC#N 307511580 346082952 /nfs/dbraw/zinc/08/29/52/346082952.db2.gz CFQIMFUVDUNMET-MRVPVSSYSA-N 0 0 180.276 2.771 10 30 AFEERN CC(C)CN=Nc1cccc(Cl)n1 307513087 346084095 /nfs/dbraw/zinc/08/40/95/346084095.db2.gz NIIXLMVLTKQCHJ-IZZDOVSWSA-N 0 0 197.669 2.789 10 30 AFEERN C#CCC1(C#N)CCC(C)CC1 307519678 346088542 /nfs/dbraw/zinc/08/85/42/346088542.db2.gz NWVAOAITXOEPLB-UHFFFAOYSA-N 0 0 161.248 2.730 10 30 AFEERN CC[C@@](C)(C#N)c1nc(C)c(C)s1 307519980 346088717 /nfs/dbraw/zinc/08/87/17/346088717.db2.gz OZNGUQDXIKTWQQ-JTQLQIEISA-N 0 0 194.303 2.951 10 30 AFEERN CC[C@](C)(C#N)c1nc(C)c(C)s1 307519982 346088757 /nfs/dbraw/zinc/08/87/57/346088757.db2.gz OZNGUQDXIKTWQQ-SNVBAGLBSA-N 0 0 194.303 2.951 10 30 AFEERN CC#C[C@@H](O)c1ccc(Cl)cc1C 307520480 346088890 /nfs/dbraw/zinc/08/88/90/346088890.db2.gz QREQWSYJMGDSEL-LLVKDONJSA-N 0 0 194.661 2.705 10 30 AFEERN CC#C[C@H](O)c1ccc(Cl)cc1C 307520481 346089006 /nfs/dbraw/zinc/08/90/06/346089006.db2.gz QREQWSYJMGDSEL-NSHDSACASA-N 0 0 194.661 2.705 10 30 AFEERN C=CCSCC(=C)CC 307524577 346091488 /nfs/dbraw/zinc/09/14/88/346091488.db2.gz DBTBBZRVPHBHAK-UHFFFAOYSA-N 0 0 142.267 2.872 10 30 AFEERN CC[C@H](CC#N)[N@@H+]1C[C@@H](C)CC1(C)C 307533273 346095939 /nfs/dbraw/zinc/09/59/39/346095939.db2.gz NEURHXQVDIDLKT-WDEREUQCSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@@H](CC#N)[N@@H+]1C[C@H](C)CC1(C)C 307533261 346095976 /nfs/dbraw/zinc/09/59/76/346095976.db2.gz NEURHXQVDIDLKT-MNOVXSKESA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@@H](CC#N)[N@@H+]1C[C@@H](C)CC1(C)C 307533267 346096022 /nfs/dbraw/zinc/09/60/22/346096022.db2.gz NEURHXQVDIDLKT-QWRGUYRKSA-N 0 0 194.322 2.799 10 30 AFEERN CC[C@H](CC#N)[N@@H+]1C[C@H](C)CC1(C)C 307533255 346096087 /nfs/dbraw/zinc/09/60/87/346096087.db2.gz NEURHXQVDIDLKT-GHMZBOCLSA-N 0 0 194.322 2.799 10 30 AFEERN CC1([C@@H]2CO2)CCCCCC1 307537609 346099091 /nfs/dbraw/zinc/09/90/91/346099091.db2.gz VGQIETBKRJHHFU-VIFPVBQESA-N 0 0 154.253 2.746 10 30 AFEERN CC1([C@H]2CO2)CCCCCC1 307537608 346099289 /nfs/dbraw/zinc/09/92/89/346099289.db2.gz VGQIETBKRJHHFU-SECBINFHSA-N 0 0 154.253 2.746 10 30 AFEERN CO[C@@H]1CCC[C@H](C2(C#N)CCC2)C1 307538983 346099516 /nfs/dbraw/zinc/09/95/16/346099516.db2.gz STEPOULPDOHZLX-WDEREUQCSA-N 0 0 193.290 2.885 10 30 AFEERN CO[C@H]1CCC[C@H](C2(C#N)CCC2)C1 307538981 346099834 /nfs/dbraw/zinc/09/98/34/346099834.db2.gz STEPOULPDOHZLX-QWRGUYRKSA-N 0 0 193.290 2.885 10 30 AFEERN CO[C@@H]1CCC[C@@H](C2(C#N)CCC2)C1 307538978 346099879 /nfs/dbraw/zinc/09/98/79/346099879.db2.gz STEPOULPDOHZLX-GHMZBOCLSA-N 0 0 193.290 2.885 10 30 AFEERN CO[C@H]1CCC[C@@H](C2(C#N)CCC2)C1 307538980 346099945 /nfs/dbraw/zinc/09/99/45/346099945.db2.gz STEPOULPDOHZLX-MNOVXSKESA-N 0 0 193.290 2.885 10 30 AFEERN CSc1cc(F)c(F)cc1C#N 307538866 346099995 /nfs/dbraw/zinc/09/99/95/346099995.db2.gz WWRMNUWGTVKFQE-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN CC(C)C(=O)c1ccc(C#N)c(F)c1 307542153 346102089 /nfs/dbraw/zinc/10/20/89/346102089.db2.gz YXGJREBUAZSUJM-UHFFFAOYSA-N 0 0 191.205 2.536 10 30 AFEERN N#Cc1c(F)ccc(C(F)F)c1F 307544980 346103931 /nfs/dbraw/zinc/10/39/31/346103931.db2.gz AALSCAYDELNEGX-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN COc1ccc(C#C/C=C/Cl)cc1 307546487 346104465 /nfs/dbraw/zinc/10/44/65/346104465.db2.gz MDRYPIZSZFTHSZ-YCRREMRBSA-N 0 0 192.645 2.799 10 30 AFEERN C/C=C/C(=O)c1ccc(F)cc1OC 307547039 346105275 /nfs/dbraw/zinc/10/52/75/346105275.db2.gz KYPOOEORVSXZEY-ONEGZZNKSA-N 0 0 194.205 2.593 10 30 AFEERN CCNc1cc(C#N)ccc1SC 307549722 346106930 /nfs/dbraw/zinc/10/69/30/346106930.db2.gz NTEARLVPPORJSK-UHFFFAOYSA-N 0 0 192.287 2.712 10 30 AFEERN CC(C)C1(C(C)C)CC(=O)C=CO1 307550794 346107166 /nfs/dbraw/zinc/10/71/66/346107166.db2.gz PCVBWYXPYFULDR-UHFFFAOYSA-N 0 0 182.263 2.540 10 30 AFEERN O=C1C=C(c2ccc[nH]2)CCCC1 307552844 346108189 /nfs/dbraw/zinc/10/81/89/346108189.db2.gz QQUAFMBQRIGZOU-UHFFFAOYSA-N 0 0 175.231 2.541 10 30 AFEERN C#C[C@H](C)Nc1ccsc1Cl 307551867 346108360 /nfs/dbraw/zinc/10/83/60/346108360.db2.gz UAMBTFIHAHUHNP-LURJTMIESA-N 0 0 185.679 2.835 10 30 AFEERN C#C[C@@H](C)Nc1ccsc1Cl 307551868 346108647 /nfs/dbraw/zinc/10/86/47/346108647.db2.gz UAMBTFIHAHUHNP-ZCFIWIBFSA-N 0 0 185.679 2.835 10 30 AFEERN C=CCOc1ccc(F)c(F)c1F 307553347 346108936 /nfs/dbraw/zinc/10/89/36/346108936.db2.gz RBJBLQODXUWECX-UHFFFAOYSA-N 0 0 188.148 2.669 10 30 AFEERN C=C(C)CSCC1(C#N)CC1 307557245 346111157 /nfs/dbraw/zinc/11/11/57/346111157.db2.gz BOFSWMCPVYZPPQ-UHFFFAOYSA-N 0 0 167.277 2.599 10 30 AFEERN C/C=C/C(=O)c1ccc(C)cc1F 307562632 346114039 /nfs/dbraw/zinc/11/40/39/346114039.db2.gz ZZFFTATVTVETHS-ONEGZZNKSA-N 0 0 178.206 2.893 10 30 AFEERN C#CCCCC1=C[C@@H](O)C[C@H](C)C1 307567509 346117308 /nfs/dbraw/zinc/11/73/08/346117308.db2.gz QSTWMMMSFBLLQZ-PWSUYJOCSA-N 0 0 178.275 2.507 10 30 AFEERN C#CCCCC1=C[C@H](O)C[C@@H](C)C1 307567507 346117555 /nfs/dbraw/zinc/11/75/55/346117555.db2.gz QSTWMMMSFBLLQZ-CMPLNLGQSA-N 0 0 178.275 2.507 10 30 AFEERN C#CCCCC1=C[C@H](O)C[C@H](C)C1 307567511 346117647 /nfs/dbraw/zinc/11/76/47/346117647.db2.gz QSTWMMMSFBLLQZ-ZYHUDNBSSA-N 0 0 178.275 2.507 10 30 AFEERN C#CCCCC1=C[C@@H](O)C[C@@H](C)C1 307567508 346117660 /nfs/dbraw/zinc/11/76/60/346117660.db2.gz QSTWMMMSFBLLQZ-JQWIXIFHSA-N 0 0 178.275 2.507 10 30 AFEERN C=C(C)[C@H](O)[C@@H]1CCc2ccccc21 307573220 346121297 /nfs/dbraw/zinc/12/12/97/346121297.db2.gz DUQPRWGMTIEBKB-OLZOCXBDSA-N 0 0 188.270 2.653 10 30 AFEERN C=C(C)[C@@H](O)[C@@H]1CCc2ccccc21 307573219 346121337 /nfs/dbraw/zinc/12/13/37/346121337.db2.gz DUQPRWGMTIEBKB-CHWSQXEVSA-N 0 0 188.270 2.653 10 30 AFEERN C=C(C)[C@H](O)[C@H]1CCc2ccccc21 307573224 346121415 /nfs/dbraw/zinc/12/14/15/346121415.db2.gz DUQPRWGMTIEBKB-STQMWFEESA-N 0 0 188.270 2.653 10 30 AFEERN C=C(C)[C@@H](O)[C@H]1CCc2ccccc21 307573221 346121557 /nfs/dbraw/zinc/12/15/57/346121557.db2.gz DUQPRWGMTIEBKB-QWHCGFSZSA-N 0 0 188.270 2.653 10 30 AFEERN C#CCNc1csc2ccccc12 307574489 346122613 /nfs/dbraw/zinc/12/26/13/346122613.db2.gz HHRCMYSGRUMDFS-UHFFFAOYSA-N 0 0 187.267 2.946 10 30 AFEERN C[C@@H]1CN(CCS)c2ccccc21 307576868 346124095 /nfs/dbraw/zinc/12/40/95/346124095.db2.gz ODOMXPZZDLFALH-SECBINFHSA-N 0 0 193.315 2.540 10 30 AFEERN S[C@H]1CCOC2(CCCCC2)C1 307576765 346124119 /nfs/dbraw/zinc/12/41/19/346124119.db2.gz KRIPBFGJJOVVFL-VIFPVBQESA-N 0 0 186.320 2.798 10 30 AFEERN S[C@@H]1CCOC2(CCCCC2)C1 307576764 346124293 /nfs/dbraw/zinc/12/42/93/346124293.db2.gz KRIPBFGJJOVVFL-SECBINFHSA-N 0 0 186.320 2.798 10 30 AFEERN C[C@H]1CN(CCS)c2ccccc21 307576869 346124397 /nfs/dbraw/zinc/12/43/97/346124397.db2.gz ODOMXPZZDLFALH-VIFPVBQESA-N 0 0 193.315 2.540 10 30 AFEERN C=C(C)CCn1cc(C)c(C#N)c1 307577541 346124724 /nfs/dbraw/zinc/12/47/24/346124724.db2.gz MDFTZKLMWDICRL-UHFFFAOYSA-N 0 0 174.247 2.634 10 30 AFEERN CO[C@@H](C=O)c1ccc(C)c(Cl)c1 307589335 346131956 /nfs/dbraw/zinc/13/19/56/346131956.db2.gz ADVYCODAEHBWAO-JTQLQIEISA-N 0 0 198.649 2.535 10 30 AFEERN CO[C@H](C=O)c1ccc(C)c(Cl)c1 307589337 346132219 /nfs/dbraw/zinc/13/22/19/346132219.db2.gz ADVYCODAEHBWAO-SNVBAGLBSA-N 0 0 198.649 2.535 10 30 AFEERN CC(=O)/C=C/c1cccc(C)c1F 307592413 346134247 /nfs/dbraw/zinc/13/42/47/346134247.db2.gz DYOIRVKUXIONAL-VOTSOKGWSA-N 0 0 178.206 2.736 10 30 AFEERN CC#CCCC1=C[C@@H](O)C[C@H](C)C1 307594747 346135715 /nfs/dbraw/zinc/13/57/15/346135715.db2.gz JGPCGHZCAIPNDY-PWSUYJOCSA-N 0 0 178.275 2.507 10 30 AFEERN CC#CCCC1=C[C@H](O)C[C@H](C)C1 307594748 346135835 /nfs/dbraw/zinc/13/58/35/346135835.db2.gz JGPCGHZCAIPNDY-ZYHUDNBSSA-N 0 0 178.275 2.507 10 30 AFEERN CC#CCCC1=C[C@@H](O)C[C@@H](C)C1 307594745 346135904 /nfs/dbraw/zinc/13/59/04/346135904.db2.gz JGPCGHZCAIPNDY-JQWIXIFHSA-N 0 0 178.275 2.507 10 30 AFEERN CC#CCCC1=C[C@H](O)C[C@@H](C)C1 307594744 346135911 /nfs/dbraw/zinc/13/59/11/346135911.db2.gz JGPCGHZCAIPNDY-CMPLNLGQSA-N 0 0 178.275 2.507 10 30 AFEERN C[C@H]1CC(=O)C=C(c2cscn2)C1 307601446 346140001 /nfs/dbraw/zinc/14/00/01/346140001.db2.gz UYFTUKKZGGQZHZ-SSDOTTSWSA-N 0 0 193.271 2.526 10 30 AFEERN C[C@@H]1CC(=O)C=C(c2cscn2)C1 307601447 346140068 /nfs/dbraw/zinc/14/00/68/346140068.db2.gz UYFTUKKZGGQZHZ-ZETCQYMHSA-N 0 0 193.271 2.526 10 30 AFEERN C[C@H](C#N)Nc1ccsc1Cl 307602934 346140844 /nfs/dbraw/zinc/14/08/44/346140844.db2.gz YBBNHDHDHUIVQB-RXMQYKEDSA-N 0 0 186.667 2.725 10 30 AFEERN C[C@@H](C#N)Nc1ccsc1Cl 307602935 346140862 /nfs/dbraw/zinc/14/08/62/346140862.db2.gz YBBNHDHDHUIVQB-YFKPBYRVSA-N 0 0 186.667 2.725 10 30 AFEERN C=CCSc1cc(C#N)cc(C)n1 307603199 346141049 /nfs/dbraw/zinc/14/10/49/346141049.db2.gz ZCRXWSSOXMQRMF-UHFFFAOYSA-N 0 0 190.271 2.540 10 30 AFEERN C#CCCOc1cc(F)ccc1Cl 307606476 346143103 /nfs/dbraw/zinc/14/31/03/346143103.db2.gz DPUPHTRUHRNHQC-UHFFFAOYSA-N 0 0 198.624 2.881 10 30 AFEERN CC(=O)/C(C)=C/c1ccoc1C 307609664 346145178 /nfs/dbraw/zinc/14/51/78/346145178.db2.gz FQMNJMBFCNOKII-VOTSOKGWSA-N 0 0 164.204 2.580 10 30 AFEERN C=CCNc1ccc(C(F)F)cc1N 307614358 346147980 /nfs/dbraw/zinc/14/79/80/346147980.db2.gz KXJQEJTYWGMDSR-UHFFFAOYSA-N 0 0 198.216 2.804 10 30 AFEERN CO[C@@H](C#N)C1CCC(C(C)C)CC1 307615448 346148518 /nfs/dbraw/zinc/14/85/18/346148518.db2.gz MONJEVVEJAZGKG-MCIGGMRASA-N 0 0 195.306 2.987 10 30 AFEERN C=CCSCc1cccnc1 307621273 346152350 /nfs/dbraw/zinc/15/23/50/346152350.db2.gz BRJFXKJRXXPFDW-UHFFFAOYSA-N 0 0 165.261 2.501 10 30 AFEERN Cc1c(Cl)ccc(CC=O)c1F 307627892 346156357 /nfs/dbraw/zinc/15/63/57/346156357.db2.gz SBTVWSFGYDPYFX-UHFFFAOYSA-N 0 0 186.613 2.529 10 30 AFEERN N#Cc1ccc(F)c(C(F)F)c1F 307652234 346166838 /nfs/dbraw/zinc/16/68/38/346166838.db2.gz NFTXIUXSOBBCAL-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN Cc1cc(F)c(Cl)c(C#N)c1 307650476 346166901 /nfs/dbraw/zinc/16/69/01/346166901.db2.gz KBNQMCYYDPOTKD-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CC(C)(C)C[C@@H]1CCC[C@@H](C=O)O1 307659693 346169677 /nfs/dbraw/zinc/16/96/77/346169677.db2.gz FCQCWFFRIYJNIE-UWVGGRQHSA-N 0 0 184.279 2.559 10 30 AFEERN CC(C)(C)C[C@@H]1CCC[C@H](C=O)O1 307659695 346169744 /nfs/dbraw/zinc/16/97/44/346169744.db2.gz FCQCWFFRIYJNIE-VHSXEESVSA-N 0 0 184.279 2.559 10 30 AFEERN CC(C)(C)C[C@H]1CCC[C@H](C=O)O1 307659691 346169792 /nfs/dbraw/zinc/16/97/92/346169792.db2.gz FCQCWFFRIYJNIE-NXEZZACHSA-N 0 0 184.279 2.559 10 30 AFEERN CC(C)(C)C[C@H]1CCC[C@@H](C=O)O1 307659698 346169954 /nfs/dbraw/zinc/16/99/54/346169954.db2.gz FCQCWFFRIYJNIE-ZJUUUORDSA-N 0 0 184.279 2.559 10 30 AFEERN C=COc1ccc(C#N)cc1Cl 307661625 346170360 /nfs/dbraw/zinc/17/03/60/346170360.db2.gz WCOBPZGVSSFRLX-UHFFFAOYSA-N 0 0 179.606 2.734 10 30 AFEERN Cc1cc(C#N)cc(F)c1Cl 307666941 346172877 /nfs/dbraw/zinc/17/28/77/346172877.db2.gz FUSFVUQEHYRXBJ-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CC(C)C(=O)c1cccc(F)c1C#N 307668130 346173468 /nfs/dbraw/zinc/17/34/68/346173468.db2.gz PSBAOCTXJVEXOT-UHFFFAOYSA-N 0 0 191.205 2.536 10 30 AFEERN O=C1CCC=C1c1cc(F)ccc1F 307669682 346174559 /nfs/dbraw/zinc/17/45/59/346174559.db2.gz OFHODZOORAIKBN-UHFFFAOYSA-N 0 0 194.180 2.711 10 30 AFEERN C=C[C@@H](O)C(C)(C)C(C)(C)C 307674540 346176303 /nfs/dbraw/zinc/17/63/03/346176303.db2.gz DEJYBDOHGBROSR-MRVPVSSYSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@H](O)C(C)(C)C(C)(C)C 307674541 346176380 /nfs/dbraw/zinc/17/63/80/346176380.db2.gz DEJYBDOHGBROSR-QMMMGPOBSA-N 0 0 156.269 2.606 10 30 AFEERN CCC(C)N=Nc1cc(Cl)ccn1 307677349 346178027 /nfs/dbraw/zinc/17/80/27/346178027.db2.gz IVCGDUOXEBJJRB-KPKJPENVSA-N 0 0 197.669 2.933 10 30 AFEERN C/C=C/C(=O)c1cc(F)cc(OC)c1 307678181 346178345 /nfs/dbraw/zinc/17/83/45/346178345.db2.gz KFPICAMAZXWNRI-ONEGZZNKSA-N 0 0 194.205 2.593 10 30 AFEERN CC#C[C@@H](O)c1ccccc1C1CC1 307683117 346180923 /nfs/dbraw/zinc/18/09/23/346180923.db2.gz GRPAAZYNQPZBPL-CYBMUJFWSA-N 0 0 186.254 2.621 10 30 AFEERN CC#C[C@H](O)c1ccccc1C1CC1 307683118 346181006 /nfs/dbraw/zinc/18/10/06/346181006.db2.gz GRPAAZYNQPZBPL-ZDUSSCGKSA-N 0 0 186.254 2.621 10 30 AFEERN CC[C@@H](C#N)SCC=C(C)C 307683263 346181282 /nfs/dbraw/zinc/18/12/82/346181282.db2.gz GVFJOWWYASNOBS-VIFPVBQESA-N 0 0 169.293 2.988 10 30 AFEERN C=CCCSCC(C)C 307684022 346181298 /nfs/dbraw/zinc/18/12/98/346181298.db2.gz IFSRDDDMOXMUTH-UHFFFAOYSA-N 0 0 144.283 2.952 10 30 AFEERN CC[C@H](C#N)SCC=C(C)C 307683262 346181394 /nfs/dbraw/zinc/18/13/94/346181394.db2.gz GVFJOWWYASNOBS-SECBINFHSA-N 0 0 169.293 2.988 10 30 AFEERN C=CC(=O)c1cc(OC)ccc1Cl 307683420 346181541 /nfs/dbraw/zinc/18/15/41/346181541.db2.gz ULCJYNWCQWYMSG-UHFFFAOYSA-N 0 0 196.633 2.717 10 30 AFEERN CC[C@]1(C(C)C)CCC[C@@H](C=O)O1 307684938 346182485 /nfs/dbraw/zinc/18/24/85/346182485.db2.gz WXWFTODSDIWYEP-WDEREUQCSA-N 0 0 184.279 2.559 10 30 AFEERN CC[C@]1(C(C)C)CCC[C@H](C=O)O1 307684935 346182539 /nfs/dbraw/zinc/18/25/39/346182539.db2.gz WXWFTODSDIWYEP-GHMZBOCLSA-N 0 0 184.279 2.559 10 30 AFEERN CC[C@@]1(C(C)C)CCC[C@H](C=O)O1 307684936 346182646 /nfs/dbraw/zinc/18/26/46/346182646.db2.gz WXWFTODSDIWYEP-MNOVXSKESA-N 0 0 184.279 2.559 10 30 AFEERN CC[C@@]1(C(C)C)CCC[C@@H](C=O)O1 307684937 346182667 /nfs/dbraw/zinc/18/26/67/346182667.db2.gz WXWFTODSDIWYEP-QWRGUYRKSA-N 0 0 184.279 2.559 10 30 AFEERN C#CCC(=O)c1csc(Cl)c1 307687343 346183433 /nfs/dbraw/zinc/18/34/33/346183433.db2.gz DRZJRZFPHMEUTL-UHFFFAOYSA-N 0 0 184.647 2.608 10 30 AFEERN CC(C)(C#N)COC1CCCCC1 307693653 346187581 /nfs/dbraw/zinc/18/75/81/346187581.db2.gz XRROPACHIWLQTB-UHFFFAOYSA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@@H](C)C(=O)C#Cc1ccccc1 307700736 346192419 /nfs/dbraw/zinc/19/24/19/346192419.db2.gz QUZQJKNRRZQEHE-LLVKDONJSA-N 0 0 186.254 2.653 10 30 AFEERN CC[C@H](C)C(=O)C#Cc1ccccc1 307700737 346192449 /nfs/dbraw/zinc/19/24/49/346192449.db2.gz QUZQJKNRRZQEHE-NSHDSACASA-N 0 0 186.254 2.653 10 30 AFEERN Cc1c(F)ccc(Cl)c1C#N 307714295 346198901 /nfs/dbraw/zinc/19/89/01/346198901.db2.gz DMNOLGZSSXKBAS-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CCC(CC)[C@]1(C#N)CCCC1=O 307719140 346201341 /nfs/dbraw/zinc/20/13/41/346201341.db2.gz MPTNYBGAGMBSPD-LLVKDONJSA-N 0 0 179.263 2.686 10 30 AFEERN CCC(CC)[C@@]1(C#N)CCCC1=O 307719141 346201409 /nfs/dbraw/zinc/20/14/09/346201409.db2.gz MPTNYBGAGMBSPD-NSHDSACASA-N 0 0 179.263 2.686 10 30 AFEERN Cc1cc(C2=CCCC2=O)cs1 307719695 346201503 /nfs/dbraw/zinc/20/15/03/346201503.db2.gz SFJVCLNYENCOAD-UHFFFAOYSA-N 0 0 178.256 2.803 10 30 AFEERN CCCC(=O)c1ccc(F)c(C#N)c1 307719932 346201630 /nfs/dbraw/zinc/20/16/30/346201630.db2.gz NXGUBJCENNCWDV-UHFFFAOYSA-N 0 0 191.205 2.680 10 30 AFEERN C/C=C/C(=O)CC1(C)CCC1 307721647 346202308 /nfs/dbraw/zinc/20/23/08/346202308.db2.gz QWZZAZSHZYYXTM-HWKANZROSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC(C)(C)CNc1ccnc(F)c1 307726017 346205017 /nfs/dbraw/zinc/20/50/17/346205017.db2.gz CMAKVADZHNJVHV-UHFFFAOYSA-N 0 0 194.253 2.845 10 30 AFEERN N#CC1(Cc2ccc(Cl)nc2)CC1 307728899 346206896 /nfs/dbraw/zinc/20/68/96/346206896.db2.gz IGFOWCSFHIXPBB-UHFFFAOYSA-N 0 0 192.649 2.581 10 30 AFEERN C=CCCCSCC=C 307730265 346207384 /nfs/dbraw/zinc/20/73/84/346207384.db2.gz HWNFVKOZNOMEOO-UHFFFAOYSA-N 0 0 142.267 2.872 10 30 AFEERN CC(=O)/C(C)=C/[C@H]1CCCSC1 307733331 346209779 /nfs/dbraw/zinc/20/97/79/346209779.db2.gz NAWIYUKEVJDUPL-QEHWCHDUSA-N 0 0 184.304 2.665 10 30 AFEERN CC(=O)/C(C)=C/[C@@H]1CCCSC1 307733330 346209843 /nfs/dbraw/zinc/20/98/43/346209843.db2.gz NAWIYUKEVJDUPL-PCGIRMHASA-N 0 0 184.304 2.665 10 30 AFEERN CC[C@@H](C#N)C(=O)c1csc(C)c1 307734918 346210437 /nfs/dbraw/zinc/21/04/37/346210437.db2.gz PSDKDDCVSWFSPJ-QMMMGPOBSA-N 0 0 193.271 2.789 10 30 AFEERN CC[C@H](C#N)C(=O)c1csc(C)c1 307734917 346210568 /nfs/dbraw/zinc/21/05/68/346210568.db2.gz PSDKDDCVSWFSPJ-MRVPVSSYSA-N 0 0 193.271 2.789 10 30 AFEERN Cc1cc(C2=CC(=O)CCC2)sn1 307737026 346211746 /nfs/dbraw/zinc/21/17/46/346211746.db2.gz TZISMACBCZUSBO-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN CC1=CC(=NOCC(C)C)CC1 307958056 346241494 /nfs/dbraw/zinc/24/14/94/346241494.db2.gz HSVWBUOGISCDHA-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN C=CCS[C@@H]1CCCC[C@H]1C#N 307747996 346217672 /nfs/dbraw/zinc/21/76/72/346217672.db2.gz AUSPYULIJPOOBZ-VHSXEESVSA-N 0 0 181.304 2.988 10 30 AFEERN C=CCS[C@@H]1CCCC[C@@H]1C#N 307747994 346217698 /nfs/dbraw/zinc/21/76/98/346217698.db2.gz AUSPYULIJPOOBZ-NXEZZACHSA-N 0 0 181.304 2.988 10 30 AFEERN C=CCS[C@H]1CCCC[C@H]1C#N 307747995 346217732 /nfs/dbraw/zinc/21/77/32/346217732.db2.gz AUSPYULIJPOOBZ-UWVGGRQHSA-N 0 0 181.304 2.988 10 30 AFEERN CC[C@](C)(C#N)c1cc(C)nc(C)c1 307752640 346222200 /nfs/dbraw/zinc/22/22/00/346222200.db2.gz SFLVGKAKIDEEOC-GFCCVEGCSA-N 0 0 188.274 2.890 10 30 AFEERN CC[C@@](C)(C#N)c1cc(C)nc(C)c1 307752641 346222439 /nfs/dbraw/zinc/22/24/39/346222439.db2.gz SFLVGKAKIDEEOC-LBPRGKRZSA-N 0 0 188.274 2.890 10 30 AFEERN C=CCSCc1csc(C)n1 307755077 346223565 /nfs/dbraw/zinc/22/35/65/346223565.db2.gz CGPJJIQUTWRTNS-UHFFFAOYSA-N 0 0 185.317 2.871 10 30 AFEERN C=CCSCCC1CC1 307755761 346224507 /nfs/dbraw/zinc/22/45/07/346224507.db2.gz FLHDLIWQOSVWCS-UHFFFAOYSA-N 0 0 142.267 2.706 10 30 AFEERN C=CCNc1cscc1C 307759538 346226246 /nfs/dbraw/zinc/22/62/46/346226246.db2.gz SCKPASHBSVQBKB-UHFFFAOYSA-N 0 0 153.250 2.654 10 30 AFEERN CC(=O)/C(C)=C\C(C)(C)C 307778733 346228415 /nfs/dbraw/zinc/22/84/15/346228415.db2.gz BXLDZLQMKWGWCC-SREVYHEPSA-N 0 0 140.226 2.568 10 30 AFEERN C/C=C\CSCCCC#N 307808061 346229073 /nfs/dbraw/zinc/22/90/73/346229073.db2.gz CJFIITHWSUBKDN-IHWYPQMZSA-N 0 0 155.266 2.599 10 30 AFEERN S[C@@H]1C=CCCCCC1 307812435 346229165 /nfs/dbraw/zinc/22/91/65/346229165.db2.gz OYUJBSCHAHWCHG-MRVPVSSYSA-N 0 0 142.267 2.805 10 30 AFEERN S[C@H]1C=CCCCCC1 307812436 346229190 /nfs/dbraw/zinc/22/91/90/346229190.db2.gz OYUJBSCHAHWCHG-QMMMGPOBSA-N 0 0 142.267 2.805 10 30 AFEERN CC#CCCSC/C=C\C 307827186 346229835 /nfs/dbraw/zinc/22/98/35/346229835.db2.gz HNXMKKPAHMXZTN-XQRVVYSFSA-N 0 0 154.278 2.709 10 30 AFEERN C/C=C\C[C@](C)(C#N)CC 307839204 346230022 /nfs/dbraw/zinc/23/00/22/346230022.db2.gz UGKBYWUADXJRGN-XTULLQBASA-N 0 0 137.226 2.892 10 30 AFEERN C/C=C\C[C@@](C)(C#N)CC 307839200 346230075 /nfs/dbraw/zinc/23/00/75/346230075.db2.gz UGKBYWUADXJRGN-RNEXMXFGSA-N 0 0 137.226 2.892 10 30 AFEERN C=CCCCS[C@H](C)C(C)=O 307854614 346230597 /nfs/dbraw/zinc/23/05/97/346230597.db2.gz CXVAPHMDKLKSPA-SECBINFHSA-N 0 0 172.293 2.663 10 30 AFEERN C=CCCCS[C@@H](C)C(C)=O 307854616 346230708 /nfs/dbraw/zinc/23/07/08/346230708.db2.gz CXVAPHMDKLKSPA-VIFPVBQESA-N 0 0 172.293 2.663 10 30 AFEERN N#CCCCCSCCCF 307857718 346230800 /nfs/dbraw/zinc/23/08/00/346230800.db2.gz DGKXNDCLXYJWQP-UHFFFAOYSA-N 0 0 175.272 2.773 10 30 AFEERN CC(C)=CCSCCCC#N 307861838 346231197 /nfs/dbraw/zinc/23/11/97/346231197.db2.gz HMNPCCMZYRHLDR-UHFFFAOYSA-N 0 0 169.293 2.990 10 30 AFEERN C/C=C\C(=O)c1ccsc1C 307891766 346232486 /nfs/dbraw/zinc/23/24/86/346232486.db2.gz FYRRDXCBKRVPFX-ARJAWSKDSA-N 0 0 166.245 2.815 10 30 AFEERN C/C=C\C(=O)c1ccc(C)s1 307902680 346233823 /nfs/dbraw/zinc/23/38/23/346233823.db2.gz WRFIGPVSMUVMTN-ARJAWSKDSA-N 0 0 166.245 2.815 10 30 AFEERN C=C(C)CCSCCOCC 307910635 346234294 /nfs/dbraw/zinc/23/42/94/346234294.db2.gz WAZYAOIKYMHGLX-UHFFFAOYSA-N 0 0 174.309 2.722 10 30 AFEERN C=C[C@@H](O)C/C=C\CCCC 307916435 346234801 /nfs/dbraw/zinc/23/48/01/346234801.db2.gz WVXZWZUPAZXFOX-GQYWMQPJSA-N 0 0 154.253 2.670 10 30 AFEERN C=C[C@H](O)C/C=C\CCCC 307916434 346234972 /nfs/dbraw/zinc/23/49/72/346234972.db2.gz WVXZWZUPAZXFOX-DMEOUFDRSA-N 0 0 154.253 2.670 10 30 AFEERN CC(C)(C)c1ccc(C=NO)s1 307914324 346235025 /nfs/dbraw/zinc/23/50/25/346235025.db2.gz SSGWOXPBYRWTFP-UHFFFAOYSA-N 0 0 183.276 2.854 10 30 AFEERN C=CCCS[C@@H](C)CCOC 307919081 346235408 /nfs/dbraw/zinc/23/54/08/346235408.db2.gz GEZPXMSLYRZXPR-VIFPVBQESA-N 0 0 174.309 2.721 10 30 AFEERN C=CCCS[C@H](C)CCOC 307919080 346235523 /nfs/dbraw/zinc/23/55/23/346235523.db2.gz GEZPXMSLYRZXPR-SECBINFHSA-N 0 0 174.309 2.721 10 30 AFEERN CC(=O)/C(C)=C\c1ccc(C)o1 307931454 346236738 /nfs/dbraw/zinc/23/67/38/346236738.db2.gz CGONAXDFNMAWNY-SREVYHEPSA-N 0 0 164.204 2.580 10 30 AFEERN C=C(CC)CSCC1(C#N)CC1 307939594 346237681 /nfs/dbraw/zinc/23/76/81/346237681.db2.gz BAARVAKIOUYFPI-UHFFFAOYSA-N 0 0 181.304 2.990 10 30 AFEERN C[C@H]1CCCC1=NOC/C=C/Cl 307942640 346238126 /nfs/dbraw/zinc/23/81/26/346238126.db2.gz DJDABQQRLZPZPN-FEQFWVDXSA-N 0 0 187.670 2.932 10 30 AFEERN C=C(C)CCS[C@@H]1CCO[C@H]1C 307941858 346238044 /nfs/dbraw/zinc/23/80/44/346238044.db2.gz CULGMPNSKBDMMD-VHSXEESVSA-N 0 0 186.320 2.863 10 30 AFEERN C=C(C)CCS[C@@H]1CCO[C@@H]1C 307941853 346238152 /nfs/dbraw/zinc/23/81/52/346238152.db2.gz CULGMPNSKBDMMD-NXEZZACHSA-N 0 0 186.320 2.863 10 30 AFEERN C/C=C\C(=O)c1ccccc1F 307941440 346238179 /nfs/dbraw/zinc/23/81/79/346238179.db2.gz ZQOBESJMZHICGX-DJWKRKHSSA-N 0 0 164.179 2.585 10 30 AFEERN C=C(C)CCS[C@H]1CCO[C@@H]1C 307941860 346238309 /nfs/dbraw/zinc/23/83/09/346238309.db2.gz CULGMPNSKBDMMD-ZJUUUORDSA-N 0 0 186.320 2.863 10 30 AFEERN C[C@@H]1CCCC1=NOC/C=C/Cl 307942641 346238384 /nfs/dbraw/zinc/23/83/84/346238384.db2.gz DJDABQQRLZPZPN-RCBHAVHDSA-N 0 0 187.670 2.932 10 30 AFEERN C=C(C)CCS[C@H]1CCO[C@H]1C 307941854 346238427 /nfs/dbraw/zinc/23/84/27/346238427.db2.gz CULGMPNSKBDMMD-UWVGGRQHSA-N 0 0 186.320 2.863 10 30 AFEERN C[C@@H]1CCCC1=NOC/C=C\Cl 307942642 346238430 /nfs/dbraw/zinc/23/84/30/346238430.db2.gz DJDABQQRLZPZPN-SFRKYATBSA-N 0 0 187.670 2.932 10 30 AFEERN C[C@H]1CCCC1=NOC/C=C\Cl 307942643 346238438 /nfs/dbraw/zinc/23/84/38/346238438.db2.gz DJDABQQRLZPZPN-VFNMNUIDSA-N 0 0 187.670 2.932 10 30 AFEERN C=CCSC[C@@H]1CCO[C@@H](C)C1 307945024 346238784 /nfs/dbraw/zinc/23/87/84/346238784.db2.gz HUPKDWWAZVKOQJ-VHSXEESVSA-N 0 0 186.320 2.721 10 30 AFEERN C=CCSC[C@H]1CCO[C@H](C)C1 307945025 346238867 /nfs/dbraw/zinc/23/88/67/346238867.db2.gz HUPKDWWAZVKOQJ-ZJUUUORDSA-N 0 0 186.320 2.721 10 30 AFEERN C=CCSC[C@@H]1CCO[C@H](C)C1 307945022 346238976 /nfs/dbraw/zinc/23/89/76/346238976.db2.gz HUPKDWWAZVKOQJ-NXEZZACHSA-N 0 0 186.320 2.721 10 30 AFEERN C=CCSC[C@H]1CCO[C@@H](C)C1 307945023 346239033 /nfs/dbraw/zinc/23/90/33/346239033.db2.gz HUPKDWWAZVKOQJ-UWVGGRQHSA-N 0 0 186.320 2.721 10 30 AFEERN CC[C@@H](C#N)SCCC(F)(F)F 307949226 346240191 /nfs/dbraw/zinc/24/01/91/346240191.db2.gz BANQCGLPUIYTCX-LURJTMIESA-N 0 0 197.225 2.974 10 30 AFEERN CC[C@H](C#N)SCCC(F)(F)F 307949228 346240317 /nfs/dbraw/zinc/24/03/17/346240317.db2.gz BANQCGLPUIYTCX-ZCFIWIBFSA-N 0 0 197.225 2.974 10 30 AFEERN C=CCCSC[C@@H]1CCCOC1 307954887 346240766 /nfs/dbraw/zinc/24/07/66/346240766.db2.gz DQYLXHRVEXOUQZ-SNVBAGLBSA-N 0 0 186.320 2.722 10 30 AFEERN C=CCCSC[C@H]1CCCOC1 307954876 346240897 /nfs/dbraw/zinc/24/08/97/346240897.db2.gz DQYLXHRVEXOUQZ-JTQLQIEISA-N 0 0 186.320 2.722 10 30 AFEERN C=CCCCSCC1(C#N)CC1 307958044 346241537 /nfs/dbraw/zinc/24/15/37/346241537.db2.gz HSDVOKHMHVRNLH-UHFFFAOYSA-N 0 0 181.304 2.990 10 30 AFEERN C=C(C)CCSCC1(C#N)CC1 307959551 346242003 /nfs/dbraw/zinc/24/20/03/346242003.db2.gz JHKHDJIYFNFWPX-UHFFFAOYSA-N 0 0 181.304 2.990 10 30 AFEERN C=CCCSCC1CCOCC1 307960887 346242075 /nfs/dbraw/zinc/24/20/75/346242075.db2.gz KXOAKENDVYFDSM-UHFFFAOYSA-N 0 0 186.320 2.722 10 30 AFEERN C=C(C)CCSCc1ccno1 307960869 346242133 /nfs/dbraw/zinc/24/21/33/346242133.db2.gz KWPCHGWMEJNSAL-UHFFFAOYSA-N 0 0 183.276 2.874 10 30 AFEERN C=C(CC)CSC1CCOCC1 307962580 346242507 /nfs/dbraw/zinc/24/25/07/346242507.db2.gz YIYBRZJUPCKQDN-UHFFFAOYSA-N 0 0 186.320 2.865 10 30 AFEERN CC(=O)/C(C)=C\[C@H]1CCCSC1 307962265 346242525 /nfs/dbraw/zinc/24/25/25/346242525.db2.gz NAWIYUKEVJDUPL-BJPMOSCESA-N 0 0 184.304 2.665 10 30 AFEERN CC(=O)[C@@](C)(C#N)C/C(C)=C\Cl 307961797 346242745 /nfs/dbraw/zinc/24/27/45/346242745.db2.gz MLRDHMOOCKKLAS-WILPJHFFSA-N 0 0 185.654 2.638 10 30 AFEERN CC(=O)[C@](C)(C#N)C/C(C)=C\Cl 307961796 346242813 /nfs/dbraw/zinc/24/28/13/346242813.db2.gz MLRDHMOOCKKLAS-PGBBXKAQSA-N 0 0 185.654 2.638 10 30 AFEERN CC(=NN)[C@@H](C)C1CCCCC1 307962951 346242834 /nfs/dbraw/zinc/24/28/34/346242834.db2.gz NOFIKPPSSBRKPN-MRVPVSSYSA-N 0 0 168.284 2.537 10 30 AFEERN CC#CCSCCC(C)(C)OC 307965663 346243084 /nfs/dbraw/zinc/24/30/84/346243084.db2.gz BSMMHOKPSJJQCQ-UHFFFAOYSA-N 0 0 186.320 2.558 10 30 AFEERN C=C(C)[C@@H](CO)SCC=C(C)C 307964875 346243211 /nfs/dbraw/zinc/24/32/11/346243211.db2.gz QEPQLJUYLALNTG-SNVBAGLBSA-N 0 0 186.320 2.623 10 30 AFEERN C=C(C)CCSC1CCOCC1 307965991 346243350 /nfs/dbraw/zinc/24/33/50/346243350.db2.gz RBMKLBCKOHRUEQ-UHFFFAOYSA-N 0 0 186.320 2.865 10 30 AFEERN C=C(C)CSCc1ccccn1 307967749 346243727 /nfs/dbraw/zinc/24/37/27/346243727.db2.gz TTYUNOCCHCVQOZ-UHFFFAOYSA-N 0 0 179.288 2.891 10 30 AFEERN C=CCCCSC1CCOCC1 307967009 346243805 /nfs/dbraw/zinc/24/38/05/346243805.db2.gz SBAFNEZRAPFFAW-UHFFFAOYSA-N 0 0 186.320 2.865 10 30 AFEERN C=C(C)CSCc1cc(C)on1 307967047 346243944 /nfs/dbraw/zinc/24/39/44/346243944.db2.gz SEQMCDWZGIHZNR-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN C=CCCSCc1ccccn1 307968683 346244275 /nfs/dbraw/zinc/24/42/75/346244275.db2.gz VGCFSMXUKXTRLP-UHFFFAOYSA-N 0 0 179.288 2.891 10 30 AFEERN CON=CC1CCC(C)(C)CC1 307968872 346244359 /nfs/dbraw/zinc/24/43/59/346244359.db2.gz FMYXLRRSRFUNDJ-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN C/C(=C\Cl)Cn1cccc1C#N 307977547 346246709 /nfs/dbraw/zinc/24/67/09/346246709.db2.gz JQTUTDPVMQYLGL-VMPITWQZSA-N 0 0 180.638 2.502 10 30 AFEERN C=CCSCC[C@@H]1CCCC1=O 307998602 346248816 /nfs/dbraw/zinc/24/88/16/346248816.db2.gz FFBXPSQCLJBFCT-VIFPVBQESA-N 0 0 184.304 2.665 10 30 AFEERN C=CCSCC[C@H]1CCCC1=O 307998601 346248865 /nfs/dbraw/zinc/24/88/65/346248865.db2.gz FFBXPSQCLJBFCT-SECBINFHSA-N 0 0 184.304 2.665 10 30 AFEERN CSC1(/C=C(\C)C(C)=O)CCC1 308006899 346249900 /nfs/dbraw/zinc/24/99/00/346249900.db2.gz MOVODVMSPFZNES-BQYQJAHWSA-N 0 0 184.304 2.807 10 30 AFEERN CCC(CCc1ccccc1)=NO 308057254 346252852 /nfs/dbraw/zinc/25/28/52/346252852.db2.gz RLPXQTSONCEXDE-UHFFFAOYSA-N 0 0 177.247 2.859 10 30 AFEERN C/C(CCCc1ccccc1)=N\O 308070790 346253611 /nfs/dbraw/zinc/25/36/11/346253611.db2.gz RHVHYJIWLIVADM-ZRDIBKRKSA-N 0 0 177.247 2.859 10 30 AFEERN CCC/C(Cc1ccccc1)=N\O 308076686 346254534 /nfs/dbraw/zinc/25/45/34/346254534.db2.gz VRWJYNUYTKNMGT-VAWYXSNFSA-N 0 0 177.247 2.859 10 30 AFEERN CC(=O)/C(C)=C\c1sc(C)nc1C 308119252 346257061 /nfs/dbraw/zinc/25/70/61/346257061.db2.gz YURMUPVCQKXYKF-WAYWQWQTSA-N 0 0 195.287 2.752 10 30 AFEERN C/C=C\C(=O)c1cc(F)ccc1F 308118369 346257123 /nfs/dbraw/zinc/25/71/23/346257123.db2.gz BFZPIXPMYNMBEY-IHWYPQMZSA-N 0 0 182.169 2.724 10 30 AFEERN C/C=C\C(=O)c1ccc(C)cc1F 308116535 346257223 /nfs/dbraw/zinc/25/72/23/346257223.db2.gz ZZFFTATVTVETHS-ARJAWSKDSA-N 0 0 178.206 2.893 10 30 AFEERN ON=C(Cl)c1ccccc1C1CC1 308121596 346257805 /nfs/dbraw/zinc/25/78/05/346257805.db2.gz KXNFWCIWDXNIHW-UHFFFAOYSA-N 0 0 195.649 2.939 10 30 AFEERN C/C(=C/Cl)C[C@]1(C#N)CCCC1=O 308129123 346258301 /nfs/dbraw/zinc/25/83/01/346258301.db2.gz BBARZVCZGSIRGB-ZEBCKKTISA-N 0 0 197.665 2.782 10 30 AFEERN C/C(=C/Cl)C[C@@]1(C#N)CCCC1=O 308129120 346258319 /nfs/dbraw/zinc/25/83/19/346258319.db2.gz BBARZVCZGSIRGB-BJPMOSCESA-N 0 0 197.665 2.782 10 30 AFEERN C=CCSCc1ncc(CC)o1 308136451 346258900 /nfs/dbraw/zinc/25/89/00/346258900.db2.gz DTCHJJFEWUMXGX-UHFFFAOYSA-N 0 0 183.276 2.656 10 30 AFEERN C/C=C(/CC)C(=O)C1=CCCCO1 308136920 346259390 /nfs/dbraw/zinc/25/93/90/346259390.db2.gz PHCMBICCJOBJEP-OQFOIZHKSA-N 0 0 180.247 2.606 10 30 AFEERN CC=CC(=O)Cc1cccc(F)c1 308139266 346259485 /nfs/dbraw/zinc/25/94/85/346259485.db2.gz RDXVEZQBGAIOAU-RQOWECAXSA-N 0 0 178.206 2.513 10 30 AFEERN CC(C)(C)CC=NN1CCCCC1 308138639 346259550 /nfs/dbraw/zinc/25/95/50/346259550.db2.gz GXNJPDNDMMITEM-UHFFFAOYSA-N 0 0 182.311 2.894 10 30 AFEERN C=CCC1(C(=O)OC(C)C)CCC1 308140551 346260104 /nfs/dbraw/zinc/26/01/04/346260104.db2.gz IEGDFHHXHNIHDD-UHFFFAOYSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCSCc1cccc(C)n1 308140441 346260156 /nfs/dbraw/zinc/26/01/56/346260156.db2.gz GYTZXQMSNRFEAZ-UHFFFAOYSA-N 0 0 179.288 2.809 10 30 AFEERN C=CCSCCc1scnc1C 308140996 346260337 /nfs/dbraw/zinc/26/03/37/346260337.db2.gz HEVKGTFPFKHMMQ-UHFFFAOYSA-N 0 0 199.344 2.913 10 30 AFEERN CC(C)[C@H](C)NN=C1CCC1(C)C 308144262 346260661 /nfs/dbraw/zinc/26/06/61/346260661.db2.gz KQZDJTMNWRWVDQ-VIFPVBQESA-N 0 0 182.311 2.797 10 30 AFEERN CC(C)[C@@H](C)NN=C1CCC1(C)C 308144261 346260790 /nfs/dbraw/zinc/26/07/90/346260790.db2.gz KQZDJTMNWRWVDQ-SECBINFHSA-N 0 0 182.311 2.797 10 30 AFEERN CCON=C1CCC[C@H]1C1CC1 308162061 346263991 /nfs/dbraw/zinc/26/39/91/346263991.db2.gz RVBULUUGKGBACU-VIFPVBQESA-N 0 0 167.252 2.589 10 30 AFEERN CCON=C1CCC[C@@H]1C1CC1 308162056 346264056 /nfs/dbraw/zinc/26/40/56/346264056.db2.gz RVBULUUGKGBACU-SECBINFHSA-N 0 0 167.252 2.589 10 30 AFEERN C/C=C\C(=O)c1c(F)cccc1F 308163300 346264780 /nfs/dbraw/zinc/26/47/80/346264780.db2.gz OJLDEXBTYMOINL-RQOWECAXSA-N 0 0 182.169 2.724 10 30 AFEERN CC(C)CON=C1C[C@H]2C=CC[C@@H]12 308169167 346265154 /nfs/dbraw/zinc/26/51/54/346265154.db2.gz YVLZRBNLVVNTRC-NXEZZACHSA-N 0 0 179.263 2.611 10 30 AFEERN CC(C)CON=C1C[C@@H]2C=CC[C@@H]12 308169170 346265387 /nfs/dbraw/zinc/26/53/87/346265387.db2.gz YVLZRBNLVVNTRC-VHSXEESVSA-N 0 0 179.263 2.611 10 30 AFEERN CC(C)CON=C1C[C@@H]2C=CC[C@H]12 308169168 346265480 /nfs/dbraw/zinc/26/54/80/346265480.db2.gz YVLZRBNLVVNTRC-UWVGGRQHSA-N 0 0 179.263 2.611 10 30 AFEERN FC1(C=NOC2CCCCC2)CC1 308187457 346267778 /nfs/dbraw/zinc/26/77/78/346267778.db2.gz KLHDQHGCYWMLDS-UHFFFAOYSA-N 0 0 185.242 2.824 10 30 AFEERN C=C(C)OC(=O)NCCC(C)(C)C 308196678 346268269 /nfs/dbraw/zinc/26/82/69/346268269.db2.gz RMUYSMXTFHAPII-UHFFFAOYSA-N 0 0 185.267 2.682 10 30 AFEERN C/C(=C/Cl)C[C@]1(C#N)CCCCN1 308203782 346269839 /nfs/dbraw/zinc/26/98/39/346269839.db2.gz GKVCJUJWAHNVMG-RNKPRXRFSA-N 0 0 198.697 2.555 10 30 AFEERN C=CCSCc1nccn1C(C)C 308220502 346271705 /nfs/dbraw/zinc/27/17/05/346271705.db2.gz BYESXQYDBHKYPX-UHFFFAOYSA-N 0 0 196.319 2.883 10 30 AFEERN C=CCCN(C)c1ccccc1F 308221289 346271832 /nfs/dbraw/zinc/27/18/32/346271832.db2.gz CNAPLXAPCXRYQD-UHFFFAOYSA-N 0 0 179.238 2.838 10 30 AFEERN C=CCCC(=O)N[C@H](CC)C(C)C 308244833 346274594 /nfs/dbraw/zinc/27/45/94/346274594.db2.gz UTUMFARIPWYOTH-SNVBAGLBSA-N 0 0 183.295 2.503 10 30 AFEERN C=CCCCN(C)Cc1cscn1 308250561 346275919 /nfs/dbraw/zinc/27/59/19/346275919.db2.gz FESSVBLJWFGNEM-UHFFFAOYSA-N 0 0 196.319 2.541 10 30 AFEERN C=CCSCc1ccn(C(C)C)n1 308251091 346275975 /nfs/dbraw/zinc/27/59/75/346275975.db2.gz HIVBTHUULZXXTQ-UHFFFAOYSA-N 0 0 196.319 2.883 10 30 AFEERN C[C@@H]1CCCC1=NN1CCCCC1 308249604 346276123 /nfs/dbraw/zinc/27/61/23/346276123.db2.gz ALOHAMUYACHSAH-SNVBAGLBSA-N 0 0 180.295 2.648 10 30 AFEERN C[C@H]1CCCC1=NN1CCCCC1 308249603 346276250 /nfs/dbraw/zinc/27/62/50/346276250.db2.gz ALOHAMUYACHSAH-JTQLQIEISA-N 0 0 180.295 2.648 10 30 AFEERN C=CCCCSCCn1ccnc1 308251621 346276883 /nfs/dbraw/zinc/27/68/83/346276883.db2.gz FWLAHWQVKQKXSX-UHFFFAOYSA-N 0 0 196.319 2.583 10 30 AFEERN CC(=NN1CCCCC1)C1CCC1 308260024 346278202 /nfs/dbraw/zinc/27/82/02/346278202.db2.gz MVWXGGBYIMWYPX-UHFFFAOYSA-N 0 0 180.295 2.648 10 30 AFEERN C[C@@H](CCC#N)SC1CCOCC1 308285449 346281505 /nfs/dbraw/zinc/28/15/05/346281505.db2.gz YRVZUJLSPWSLKO-VIFPVBQESA-N 0 0 199.319 2.591 10 30 AFEERN C[C@H](CCC#N)SC1CCOCC1 308285174 346281517 /nfs/dbraw/zinc/28/15/17/346281517.db2.gz YRVZUJLSPWSLKO-SECBINFHSA-N 0 0 199.319 2.591 10 30 AFEERN CCC(C)(C)C=NN1CCCCC1 308289027 346281894 /nfs/dbraw/zinc/28/18/94/346281894.db2.gz FWHADPYIVLMOPL-UHFFFAOYSA-N 0 0 182.311 2.894 10 30 AFEERN C=CCS[C@@H](C)c1cnc(C)cn1 308303409 346284677 /nfs/dbraw/zinc/28/46/77/346284677.db2.gz NEYSKEJPNDOVTJ-VIFPVBQESA-N 0 0 194.303 2.765 10 30 AFEERN C[C@H]1CC[C@@H](C=NNC(C)(C)C)C1 308304214 346284832 /nfs/dbraw/zinc/28/48/32/346284832.db2.gz NMSODJLWGLNOTR-VHSXEESVSA-N 0 0 182.311 2.797 10 30 AFEERN C=CCS[C@H](C)c1cnc(C)cn1 308303408 346284886 /nfs/dbraw/zinc/28/48/86/346284886.db2.gz NEYSKEJPNDOVTJ-SECBINFHSA-N 0 0 194.303 2.765 10 30 AFEERN C[C@@H]1CC[C@@H](C=NNC(C)(C)C)C1 308304212 346284889 /nfs/dbraw/zinc/28/48/89/346284889.db2.gz NMSODJLWGLNOTR-NXEZZACHSA-N 0 0 182.311 2.797 10 30 AFEERN C[C@@H]1CC[C@H](C=NNC(C)(C)C)C1 308304215 346284897 /nfs/dbraw/zinc/28/48/97/346284897.db2.gz NMSODJLWGLNOTR-ZJUUUORDSA-N 0 0 182.311 2.797 10 30 AFEERN C[C@H]1CC[C@H](C=NNC(C)(C)C)C1 308304213 346284988 /nfs/dbraw/zinc/28/49/88/346284988.db2.gz NMSODJLWGLNOTR-UWVGGRQHSA-N 0 0 182.311 2.797 10 30 AFEERN Cc1csc(N=NCC(C)(C)C)n1 308303708 346285066 /nfs/dbraw/zinc/28/50/66/346285066.db2.gz MIBHLWQWHARYGQ-UHFFFAOYSA-N 0 0 197.307 2.895 10 30 AFEERN CC#CCCSC[C@H]1CCCCO1 308324820 346288999 /nfs/dbraw/zinc/28/89/99/346288999.db2.gz DXVJWPDBEQUEFD-LLVKDONJSA-N 0 0 198.331 2.702 10 30 AFEERN CC#CCCSCC[C@H]1CCCO1 308323542 346289215 /nfs/dbraw/zinc/28/92/15/346289215.db2.gz DCVZFLICIAYXMV-LLVKDONJSA-N 0 0 198.331 2.702 10 30 AFEERN CC#CCCSC[C@@H]1CCCCO1 308324821 346289297 /nfs/dbraw/zinc/28/92/97/346289297.db2.gz DXVJWPDBEQUEFD-NSHDSACASA-N 0 0 198.331 2.702 10 30 AFEERN CC#CCCSCC[C@@H]1CCCO1 308323544 346289325 /nfs/dbraw/zinc/28/93/25/346289325.db2.gz DCVZFLICIAYXMV-NSHDSACASA-N 0 0 198.331 2.702 10 30 AFEERN CON=C(C)c1ccc(F)cc1C 308327761 346289731 /nfs/dbraw/zinc/28/97/31/346289731.db2.gz GPHIGIJTMRCBRF-UHFFFAOYSA-N 0 0 181.210 2.505 10 30 AFEERN C=CCN(CCCC)CC(F)(F)F 308328400 346289845 /nfs/dbraw/zinc/28/98/45/346289845.db2.gz HEDFKTYHJPPKFU-UHFFFAOYSA-N 0 0 195.228 2.837 10 30 AFEERN CC#CCCSCc1cc(C)no1 308326992 346289877 /nfs/dbraw/zinc/28/98/77/346289877.db2.gz HCKBLGJNUIASGX-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C=C(C)CCSCc1nnc(C)o1 308332879 346290485 /nfs/dbraw/zinc/29/04/85/346290485.db2.gz LTFNVLGZLWRMOQ-UHFFFAOYSA-N 0 0 198.291 2.577 10 30 AFEERN C=C(C)CCSCCn1cccn1 308330358 346290526 /nfs/dbraw/zinc/29/05/26/346290526.db2.gz KETYLRFKRQLPEU-UHFFFAOYSA-N 0 0 196.319 2.583 10 30 AFEERN CC#CCCSCc1ccccn1 308337233 346291081 /nfs/dbraw/zinc/29/10/81/346291081.db2.gz OPCYMEDRYZKHHO-UHFFFAOYSA-N 0 0 191.299 2.728 10 30 AFEERN CC(=O)/C=C(\C)c1ccc(F)c(F)c1 308347653 346291690 /nfs/dbraw/zinc/29/16/90/346291690.db2.gz YSSIZQORCFXBDG-FNORWQNLSA-N 0 0 196.196 2.957 10 30 AFEERN C=C(C)CCSCc1nc(C)no1 308347171 346291725 /nfs/dbraw/zinc/29/17/25/346291725.db2.gz WCNCRXSTSHPTOP-UHFFFAOYSA-N 0 0 198.291 2.577 10 30 AFEERN C=CCCSCc1ccnc(C)n1 308361550 346292620 /nfs/dbraw/zinc/29/26/20/346292620.db2.gz DTHCMRMKLXSOOJ-UHFFFAOYSA-N 0 0 194.303 2.594 10 30 AFEERN C=CCCSCCn1cc(C)cn1 308360484 346292746 /nfs/dbraw/zinc/29/27/46/346292746.db2.gz DDTPNPWVKYOEBN-UHFFFAOYSA-N 0 0 196.319 2.501 10 30 AFEERN C=CCCCSCc1noc(C)n1 308359688 346292728 /nfs/dbraw/zinc/29/27/28/346292728.db2.gz CSKDCTBUGKDSOS-UHFFFAOYSA-N 0 0 198.291 2.577 10 30 AFEERN Cc1cc(CSCCCC#N)no1 308371581 346294069 /nfs/dbraw/zinc/29/40/69/346294069.db2.gz LDJYCDMOFSPJMQ-UHFFFAOYSA-N 0 0 196.275 2.520 10 30 AFEERN C=CCCCOc1ccc(C)nc1 308377800 346294871 /nfs/dbraw/zinc/29/48/71/346294871.db2.gz OPBDTIFHKBAWFA-UHFFFAOYSA-N 0 0 177.247 2.735 10 30 AFEERN CON=Cc1c(C)cc(Cl)cc1C 308401731 346297993 /nfs/dbraw/zinc/29/79/93/346297993.db2.gz HIQAYRJEZRYNHF-UHFFFAOYSA-N 0 0 197.665 2.937 10 30 AFEERN C/C=C\CNc1cc(C#N)ccc1C 308400635 346298189 /nfs/dbraw/zinc/29/81/89/346298189.db2.gz NHKMDXVOVYZTCA-ARJAWSKDSA-N 0 0 186.258 2.855 10 30 AFEERN C/C=C\CCNc1cccc(C#N)c1 308410698 346300409 /nfs/dbraw/zinc/30/04/09/346300409.db2.gz HBDBZWPYCUFPHG-IHWYPQMZSA-N 0 0 186.258 2.936 10 30 AFEERN C=CCCCSCc1cnn(C)c1 308426204 346301728 /nfs/dbraw/zinc/30/17/28/346301728.db2.gz WYTBHMSZYGDTFF-UHFFFAOYSA-N 0 0 196.319 2.620 10 30 AFEERN C/C=C\C(=O)c1ccc(OC)cc1C 308435394 346303332 /nfs/dbraw/zinc/30/33/32/346303332.db2.gz MCEAUJHPOGBCLF-PLNGDYQASA-N 0 0 190.242 2.762 10 30 AFEERN C/C=C\C(=O)c1cccc(N(C)C)c1 308448875 346303897 /nfs/dbraw/zinc/30/38/97/346303897.db2.gz BNILBXWRCDUQHO-XQRVVYSFSA-N 0 0 189.258 2.511 10 30 AFEERN C/C=C\C(=O)c1cccc(OCC)c1 308443330 346304050 /nfs/dbraw/zinc/30/40/50/346304050.db2.gz LIBNOTFSNHBKRC-UTCJRWHESA-N 0 0 190.242 2.844 10 30 AFEERN C/C=C\C(=O)c1ccc(F)c(OC)c1 308448916 346304072 /nfs/dbraw/zinc/30/40/72/346304072.db2.gz BTQHCHPNPZCRTK-ARJAWSKDSA-N 0 0 194.205 2.593 10 30 AFEERN CN(CCC#N)[C@H]1C=CCCCCC1 308449749 346304313 /nfs/dbraw/zinc/30/43/13/346304313.db2.gz CTQUMMOLGSRSEJ-LBPRGKRZSA-N 0 0 192.306 2.721 10 30 AFEERN C/C=C\C(=O)c1ccc(OC)c(C)c1 308452274 346304363 /nfs/dbraw/zinc/30/43/63/346304363.db2.gz GKBMSRJAAFJLEI-PLNGDYQASA-N 0 0 190.242 2.762 10 30 AFEERN C/C=C\C(=O)c1ccccc1N(C)C 308453154 346304492 /nfs/dbraw/zinc/30/44/92/346304492.db2.gz HRSXDAPJZAGZHL-DAXSKMNVSA-N 0 0 189.258 2.511 10 30 AFEERN CN(CCC#N)[C@@H]1C=CCCCCC1 308449747 346304698 /nfs/dbraw/zinc/30/46/98/346304698.db2.gz CTQUMMOLGSRSEJ-GFCCVEGCSA-N 0 0 192.306 2.721 10 30 AFEERN C/C=C\C(=O)c1cccc(F)c1OC 308464347 346305095 /nfs/dbraw/zinc/30/50/95/346305095.db2.gz VKTRCHDIHMIYES-HYXAFXHYSA-N 0 0 194.205 2.593 10 30 AFEERN C=CCCC(=O)c1ccccc1C#N 308460700 346305150 /nfs/dbraw/zinc/30/51/50/346305150.db2.gz QAUMTFAAQCQPSM-UHFFFAOYSA-N 0 0 185.226 2.707 10 30 AFEERN C=CCCC(=O)c1cccc(C#N)c1 308461453 346305306 /nfs/dbraw/zinc/30/53/06/346305306.db2.gz RDAWETVOTXKLDY-UHFFFAOYSA-N 0 0 185.226 2.707 10 30 AFEERN C/C=C\C[C@]1(C#N)CCC(C)(C)C1=O 308517635 346310485 /nfs/dbraw/zinc/31/04/85/346310485.db2.gz FYMDFXVIMAXAAQ-QMAVJUDZSA-N 0 0 191.274 2.852 10 30 AFEERN C/C=C\C[C@@]1(C#N)CCC(C)(C)C1=O 308517636 346310600 /nfs/dbraw/zinc/31/06/00/346310600.db2.gz FYMDFXVIMAXAAQ-RXNFCKPNSA-N 0 0 191.274 2.852 10 30 AFEERN C=CC[C@@H](O)CCc1ccc(F)cc1 308625833 346316164 /nfs/dbraw/zinc/31/61/64/346316164.db2.gz LFVLXACMFHGSJV-GFCCVEGCSA-N 0 0 194.249 2.695 10 30 AFEERN CC(C)(C)CCCn1cc(C#N)cn1 308707274 346318218 /nfs/dbraw/zinc/31/82/18/346318218.db2.gz XDXRQPZLDILMDW-UHFFFAOYSA-N 0 0 191.278 2.581 10 30 AFEERN CCC[C@@H](NCC#N)C1CCCCC1 308717636 346318305 /nfs/dbraw/zinc/31/83/05/346318305.db2.gz BYRUUZFUSQKSSS-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN CCC[C@H](NCC#N)C1CCCCC1 308717642 346318487 /nfs/dbraw/zinc/31/84/87/346318487.db2.gz BYRUUZFUSQKSSS-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN CCNc1cc(C#N)nc2ccccc12 309052852 346319848 /nfs/dbraw/zinc/31/98/48/346319848.db2.gz RWHGNASNEPXMSS-UHFFFAOYSA-N 0 0 197.241 2.538 10 30 AFEERN CC[C@@H](C#N)SCCCSC 319872572 346322646 /nfs/dbraw/zinc/32/26/46/346322646.db2.gz IAKSLNPMZREWRM-QMMMGPOBSA-N 0 0 189.349 2.775 10 30 AFEERN CC[C@H](C#N)SCCCSC 319872569 346322804 /nfs/dbraw/zinc/32/28/04/346322804.db2.gz IAKSLNPMZREWRM-MRVPVSSYSA-N 0 0 189.349 2.775 10 30 AFEERN CC1(C)CC[C@H](n2cc(C#N)cn2)C1 335304188 346388420 /nfs/dbraw/zinc/38/84/20/346388420.db2.gz WWCZVMSGFSKWPY-JTQLQIEISA-N 0 0 189.262 2.506 10 30 AFEERN C=CCCC[C@@H](C)S[C@H](C)CO 379320575 346495728 /nfs/dbraw/zinc/49/57/28/346495728.db2.gz XHLCEGUWIFWFBV-NXEZZACHSA-N 0 0 188.336 2.845 10 30 AFEERN Cc1cnccc1SCCCC#N 378771536 346483979 /nfs/dbraw/zinc/48/39/79/346483979.db2.gz CHMDQLBYWZGSDQ-UHFFFAOYSA-N 0 0 192.287 2.786 10 30 AFEERN C=CCOCCSCC=C(C)C 378774137 346484014 /nfs/dbraw/zinc/48/40/14/346484014.db2.gz DJWBBXJORXZVRY-UHFFFAOYSA-N 0 0 186.320 2.888 10 30 AFEERN C[C@@H]1CC(=NNC2CCCC2)[C@@H]1C 378872281 346485981 /nfs/dbraw/zinc/48/59/81/346485981.db2.gz QTJBPQFEEUWVSM-RKDXNWHRSA-N 0 0 180.295 2.551 10 30 AFEERN C[C@H]1CC(=NNC2CCCC2)[C@@H]1C 378872279 346485991 /nfs/dbraw/zinc/48/59/91/346485991.db2.gz QTJBPQFEEUWVSM-DTWKUNHWSA-N 0 0 180.295 2.551 10 30 AFEERN C[C@@H]1C(=NNC2CCCC2)C[C@H]1C 378872278 346486210 /nfs/dbraw/zinc/48/62/10/346486210.db2.gz QTJBPQFEEUWVSM-BDAKNGLRSA-N 0 0 180.295 2.551 10 30 AFEERN C[C@H]1CC(=NNC2CCCC2)[C@H]1C 378872280 346486237 /nfs/dbraw/zinc/48/62/37/346486237.db2.gz QTJBPQFEEUWVSM-IUCAKERBSA-N 0 0 180.295 2.551 10 30 AFEERN N#CC1(C/C=C\Cl)CCC1 378974538 346487544 /nfs/dbraw/zinc/48/75/44/346487544.db2.gz BBZUHQOTPLHWPY-KXFIGUGUSA-N 0 0 155.628 2.823 10 30 AFEERN C=CCCSCc1nccs1 379148808 346489315 /nfs/dbraw/zinc/48/93/15/346489315.db2.gz BETKMQJBZSXRRB-UHFFFAOYSA-N 0 0 185.317 2.952 10 30 AFEERN Cc1cc(C(Cl)=NO)c(C)s1 379046679 346488654 /nfs/dbraw/zinc/48/86/54/346488654.db2.gz XOSFWQDCQTTXLU-UHFFFAOYSA-N 0 0 189.667 2.740 10 30 AFEERN C/C=C\CSCC1(C#N)CC1 379161928 346489345 /nfs/dbraw/zinc/48/93/45/346489345.db2.gz HJZQRXSBKQLOIR-IHWYPQMZSA-N 0 0 167.277 2.599 10 30 AFEERN C=C(CC)CSCCCOC 379160149 346489041 /nfs/dbraw/zinc/48/90/41/346489041.db2.gz GTQXUSKRBDVUTL-UHFFFAOYSA-N 0 0 174.309 2.722 10 30 AFEERN C=CCCSCCCOCC 379152761 346489288 /nfs/dbraw/zinc/48/92/88/346489288.db2.gz CUGFZFBMSKKSGX-UHFFFAOYSA-N 0 0 174.309 2.722 10 30 AFEERN CCON=C1CCCC1(C)C 379247955 346490880 /nfs/dbraw/zinc/49/08/80/346490880.db2.gz CJOCGFUKCGSPBY-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C=C(C)CCS[C@@H](C)C(C)=O 379254910 346490888 /nfs/dbraw/zinc/49/08/88/346490888.db2.gz IFYCOKPCJKIRLQ-VIFPVBQESA-N 0 0 172.293 2.663 10 30 AFEERN C=C(C)CCS[C@H](C)C(C)=O 379254909 346490929 /nfs/dbraw/zinc/49/09/29/346490929.db2.gz IFYCOKPCJKIRLQ-SECBINFHSA-N 0 0 172.293 2.663 10 30 AFEERN C=CCCCSCCOCC 379277988 346491516 /nfs/dbraw/zinc/49/15/16/346491516.db2.gz BCWALVYIUWKLCE-UHFFFAOYSA-N 0 0 174.309 2.722 10 30 AFEERN C=C(CC)CSCc1ccno1 379311101 346491939 /nfs/dbraw/zinc/49/19/39/346491939.db2.gz GNABPBWVTAKQAY-UHFFFAOYSA-N 0 0 183.276 2.874 10 30 AFEERN CCc1ccccc1C(Cl)=NO 379311464 346492694 /nfs/dbraw/zinc/49/26/94/346492694.db2.gz MNIVGTGUZMEWKU-UHFFFAOYSA-N 0 0 183.638 2.624 10 30 AFEERN C=CCSCCc1cccnc1 379316914 346494570 /nfs/dbraw/zinc/49/45/70/346494570.db2.gz CMLBUBJQBNAYBP-UHFFFAOYSA-N 0 0 179.288 2.543 10 30 AFEERN C=C(C)CCSCc1ccon1 379319831 346495114 /nfs/dbraw/zinc/49/51/14/346495114.db2.gz SPSGPGMFWFTHDQ-UHFFFAOYSA-N 0 0 183.276 2.874 10 30 AFEERN C=CCCC[C@H](C)S[C@H](C)CO 379320577 346495493 /nfs/dbraw/zinc/49/54/93/346495493.db2.gz XHLCEGUWIFWFBV-VHSXEESVSA-N 0 0 188.336 2.845 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OC(C)C 379321508 346495520 /nfs/dbraw/zinc/49/55/20/346495520.db2.gz COYSCPAWGGBXCH-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN C=CCCC[C@@H](C)S[C@@H](C)CO 379320578 346495755 /nfs/dbraw/zinc/49/57/55/346495755.db2.gz XHLCEGUWIFWFBV-ZJUUUORDSA-N 0 0 188.336 2.845 10 30 AFEERN C=CCCC[C@H](C)S[C@@H](C)CO 379320576 346495777 /nfs/dbraw/zinc/49/57/77/346495777.db2.gz XHLCEGUWIFWFBV-UWVGGRQHSA-N 0 0 188.336 2.845 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OC(C)C 379321507 346495908 /nfs/dbraw/zinc/49/59/08/346495908.db2.gz COYSCPAWGGBXCH-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)CSCC(=O)C(C)(C)C 379322112 346496156 /nfs/dbraw/zinc/49/61/56/346496156.db2.gz HANNYYSQUSXRDY-UHFFFAOYSA-N 0 0 186.320 2.911 10 30 AFEERN C=CCCSCc1cc(C)on1 379329264 346499496 /nfs/dbraw/zinc/49/94/96/346499496.db2.gz UBHBOGFKWKNCQR-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN C=C(C)[C@H](CO)SCC(C)(C)C 379330927 346499807 /nfs/dbraw/zinc/49/98/07/346499807.db2.gz YVWRGHUCJSVGKH-VIFPVBQESA-N 0 0 188.336 2.703 10 30 AFEERN C=C(C)[C@@H](CO)SCC(C)(C)C 379330926 346500124 /nfs/dbraw/zinc/50/01/24/346500124.db2.gz YVWRGHUCJSVGKH-SECBINFHSA-N 0 0 188.336 2.703 10 30 AFEERN C=CCCN(CCC)CC(F)F 379337933 346502881 /nfs/dbraw/zinc/50/28/81/346502881.db2.gz AEYCWZRAKQIEMZ-UHFFFAOYSA-N 0 0 177.238 2.540 10 30 AFEERN N#CCCCSCCOC1CCC1 379352134 346504131 /nfs/dbraw/zinc/50/41/31/346504131.db2.gz ALIRRBHFYHYFSN-UHFFFAOYSA-N 0 0 199.319 2.592 10 30 AFEERN ON=C(Cl)c1ccc(C2CC2)cc1 379346276 346504341 /nfs/dbraw/zinc/50/43/41/346504341.db2.gz VYWUHQJHXQHUEI-UHFFFAOYSA-N 0 0 195.649 2.939 10 30 AFEERN C=CCCCSCc1nc(C)no1 379353776 346505097 /nfs/dbraw/zinc/50/50/97/346505097.db2.gz GHKYAWPDHAORBQ-UHFFFAOYSA-N 0 0 198.291 2.577 10 30 AFEERN C=CCCSCc1cc(C)ncn1 379358352 346505652 /nfs/dbraw/zinc/50/56/52/346505652.db2.gz VDBYDHYPZGECOR-UHFFFAOYSA-N 0 0 194.303 2.594 10 30 AFEERN C=CCCCSCc1ccn(C)n1 379359550 346506582 /nfs/dbraw/zinc/50/65/82/346506582.db2.gz YZAWZZRJVWELCL-UHFFFAOYSA-N 0 0 196.319 2.620 10 30 AFEERN C=CCCCN(CC)CC(F)(F)F 379371707 346508631 /nfs/dbraw/zinc/50/86/31/346508631.db2.gz IHIKPNYFCWOIBN-UHFFFAOYSA-N 0 0 195.228 2.837 10 30 AFEERN C=C(C)CSCc1nccn1CC 379388149 346512629 /nfs/dbraw/zinc/51/26/29/346512629.db2.gz IYUZQTXYLFIIIZ-UHFFFAOYSA-N 0 0 196.319 2.712 10 30 AFEERN C=CCCSCc1nccn1CC 379390191 346513532 /nfs/dbraw/zinc/51/35/32/346513532.db2.gz NENPUMXJYURQIN-UHFFFAOYSA-N 0 0 196.319 2.712 10 30 AFEERN C=C(CC)CSCc1cnn(C)c1 379391836 346513932 /nfs/dbraw/zinc/51/39/32/346513932.db2.gz QMWIXMJAMSNGLG-UHFFFAOYSA-N 0 0 196.319 2.620 10 30 AFEERN C=C(C)CSCc1cc(C)ncn1 379393162 346514029 /nfs/dbraw/zinc/51/40/29/346514029.db2.gz UCYIIJNKSWMJQT-UHFFFAOYSA-N 0 0 194.303 2.594 10 30 AFEERN C=C(CC)CSCc1ncccn1 379393854 346514758 /nfs/dbraw/zinc/51/47/58/346514758.db2.gz VTMVLNHZASEGEW-UHFFFAOYSA-N 0 0 194.303 2.676 10 30 AFEERN C=C(C)CCSCc1ccnn1C 379393616 346514832 /nfs/dbraw/zinc/51/48/32/346514832.db2.gz VFPOGWIQFXPQDQ-UHFFFAOYSA-N 0 0 196.319 2.620 10 30 AFEERN C=CCCSCCc1cccnc1 379406180 346519023 /nfs/dbraw/zinc/51/90/23/346519023.db2.gz VTQXGIOCTWKRJW-UHFFFAOYSA-N 0 0 193.315 2.933 10 30 AFEERN C=C(C)CSCCn1cc(C)cn1 379406776 346520088 /nfs/dbraw/zinc/52/00/88/346520088.db2.gz XDIXGZGLKTZBAP-UHFFFAOYSA-N 0 0 196.319 2.501 10 30 AFEERN C=CCSCc1c(CC)noc1C 379411023 346520789 /nfs/dbraw/zinc/52/07/89/346520789.db2.gz HGYLYBXTEAKJJE-UHFFFAOYSA-N 0 0 197.303 2.965 10 30 AFEERN C=CCCC(=O)NC(C)(CC)CC 379415989 346522014 /nfs/dbraw/zinc/52/20/14/346522014.db2.gz QQQWEIDFVSSRLG-UHFFFAOYSA-N 0 0 183.295 2.648 10 30 AFEERN C=CCCCCCn1cc(C#N)cn1 379507958 346524188 /nfs/dbraw/zinc/52/41/88/346524188.db2.gz SZIRYXDYNVKJFT-UHFFFAOYSA-N 0 0 189.262 2.501 10 30 AFEERN C[C@H]1CC(=NOC2CCC2)[C@H]1C 382312513 346534187 /nfs/dbraw/zinc/53/41/87/346534187.db2.gz QLKPDEDXPOVSQZ-YUMQZZPRSA-N 0 0 167.252 2.587 10 30 AFEERN C[C@H]1CC(=NOC2CCC2)[C@@H]1C 382312509 346533895 /nfs/dbraw/zinc/53/38/95/346533895.db2.gz QLKPDEDXPOVSQZ-JGVFFNPUSA-N 0 0 167.252 2.587 10 30 AFEERN C[C@@H]1CC(=NOC2CCC2)[C@@H]1C 382312507 346533966 /nfs/dbraw/zinc/53/39/66/346533966.db2.gz QLKPDEDXPOVSQZ-HTQZYQBOSA-N 0 0 167.252 2.587 10 30 AFEERN C[C@@H]1C(=NOC2CCC2)C[C@H]1C 382312512 346534058 /nfs/dbraw/zinc/53/40/58/346534058.db2.gz QLKPDEDXPOVSQZ-SFYZADRCSA-N 0 0 167.252 2.587 10 30 AFEERN C=C(C)CSCCCCOC 388077206 346546014 /nfs/dbraw/zinc/54/60/14/346546014.db2.gz GYKBAASEMDRLFC-UHFFFAOYSA-N 0 0 174.309 2.722 10 30 AFEERN C=CCCSC/C=C\C 387851111 346546072 /nfs/dbraw/zinc/54/60/72/346546072.db2.gz GDQYGZCYBVPAPL-XQRVVYSFSA-N 0 0 142.267 2.872 10 30 AFEERN C=C(C)CCS[C@@H](C)COC 388129094 346546504 /nfs/dbraw/zinc/54/65/04/346546504.db2.gz RZFLSROQRYAAKY-VIFPVBQESA-N 0 0 174.309 2.721 10 30 AFEERN C=C(C)CCS[C@H](C)COC 388129083 346546728 /nfs/dbraw/zinc/54/67/28/346546728.db2.gz RZFLSROQRYAAKY-SECBINFHSA-N 0 0 174.309 2.721 10 30 AFEERN C=C(C)CCSCCCC#N 388121581 346546766 /nfs/dbraw/zinc/54/67/66/346546766.db2.gz LCTWRMLZUVMDPA-UHFFFAOYSA-N 0 0 169.293 2.990 10 30 AFEERN CC#CCCSCCCCF 388142347 346547366 /nfs/dbraw/zinc/54/73/66/346547366.db2.gz DKSMQDJWWPJXAS-UHFFFAOYSA-N 0 0 174.284 2.883 10 30 AFEERN C=CCSCCCn1ccnc1C 388202442 346547733 /nfs/dbraw/zinc/54/77/33/346547733.db2.gz BMOCAFWJIMEPQV-UHFFFAOYSA-N 0 0 196.319 2.501 10 30 AFEERN CCN(CC#N)C[C@@H](C)C(C)(C)C 388264290 346549006 /nfs/dbraw/zinc/54/90/06/346549006.db2.gz CEBJRXVHTHFBNV-SNVBAGLBSA-N 0 0 182.311 2.514 10 30 AFEERN CCN(CC#N)C[C@H](C)C(C)(C)C 388264289 346549100 /nfs/dbraw/zinc/54/91/00/346549100.db2.gz CEBJRXVHTHFBNV-JTQLQIEISA-N 0 0 182.311 2.514 10 30 AFEERN C=C(C)CCS[C@@H]1CCCOC1 388389180 346551722 /nfs/dbraw/zinc/55/17/22/346551722.db2.gz AZHUZTDOBUTNLD-SNVBAGLBSA-N 0 0 186.320 2.865 10 30 AFEERN C=C(C)CCS[C@H]1CCCOC1 388389177 346551787 /nfs/dbraw/zinc/55/17/87/346551787.db2.gz AZHUZTDOBUTNLD-JTQLQIEISA-N 0 0 186.320 2.865 10 30 AFEERN C=C(C)CCSC[C@H]1CCCO1 388416330 346553718 /nfs/dbraw/zinc/55/37/18/346553718.db2.gz FEHKORWAPIFCKN-SNVBAGLBSA-N 0 0 186.320 2.865 10 30 AFEERN C=C(C)CSCC1CCOCC1 388410395 346553737 /nfs/dbraw/zinc/55/37/37/346553737.db2.gz XJVKOBDFNZMXLX-UHFFFAOYSA-N 0 0 186.320 2.722 10 30 AFEERN C=C(C)CCSC[C@@H]1CCCO1 388416329 346553774 /nfs/dbraw/zinc/55/37/74/346553774.db2.gz FEHKORWAPIFCKN-JTQLQIEISA-N 0 0 186.320 2.865 10 30 AFEERN C=CCCCSCc1ccno1 388507485 346558180 /nfs/dbraw/zinc/55/81/80/346558180.db2.gz PNMWDMNJDNNGHL-UHFFFAOYSA-N 0 0 183.276 2.874 10 30 AFEERN C=CCSCc1cccc(OC)n1 388574776 346558840 /nfs/dbraw/zinc/55/88/40/346558840.db2.gz AQMRWHXQAOLRRL-UHFFFAOYSA-N 0 0 195.287 2.509 10 30 AFEERN CC#CCCSCc1cc(C)on1 388593835 346560101 /nfs/dbraw/zinc/56/01/01/346560101.db2.gz BSRAEUDFOZPJDB-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C=CCCN(CCC)CC(F)(F)F 388596035 346560893 /nfs/dbraw/zinc/56/08/93/346560893.db2.gz CUTSUOSJMMJKAH-UHFFFAOYSA-N 0 0 195.228 2.837 10 30 AFEERN C=C(C)CCSCc1ncccn1 388621940 346561430 /nfs/dbraw/zinc/56/14/30/346561430.db2.gz FSPNZYDBBDYNFA-UHFFFAOYSA-N 0 0 194.303 2.676 10 30 AFEERN C=CCSCc1cc(OC)ccn1 388623072 346561567 /nfs/dbraw/zinc/56/15/67/346561567.db2.gz GAEIFNPYVMQNKN-UHFFFAOYSA-N 0 0 195.287 2.509 10 30 AFEERN C=CCN(C)Cc1ccccc1Cl 388624808 346562084 /nfs/dbraw/zinc/56/20/84/346562084.db2.gz GMHFFTQBCONGKU-UHFFFAOYSA-N 0 0 195.693 2.958 10 30 AFEERN C=C(C)CCSCc1cnn(C)c1 388704678 346564410 /nfs/dbraw/zinc/56/44/10/346564410.db2.gz OBHXEUWEKQQKID-UHFFFAOYSA-N 0 0 196.319 2.620 10 30 AFEERN C=CCCOc1cc(F)ccc1F 388775374 346566401 /nfs/dbraw/zinc/56/64/01/346566401.db2.gz HVHNASHLPHMWBP-UHFFFAOYSA-N 0 0 184.185 2.920 10 30 AFEERN C=CCCCN(C)C(=O)CCCC 388853817 346569129 /nfs/dbraw/zinc/56/91/29/346569129.db2.gz BZKDVNXDQQCZFZ-UHFFFAOYSA-N 0 0 183.295 2.601 10 30 AFEERN C=C(C)CCSCc1ccn(C)n1 388939241 346569815 /nfs/dbraw/zinc/56/98/15/346569815.db2.gz WSDTXIRODAIEHC-UHFFFAOYSA-N 0 0 196.319 2.620 10 30 AFEERN C=C(C)CCSCCn1ccnc1 388931081 346570094 /nfs/dbraw/zinc/57/00/94/346570094.db2.gz UMEGBABTNZXTNH-UHFFFAOYSA-N 0 0 196.319 2.583 10 30 AFEERN N#CCN(CCCCF)C1CCCC1 389250052 346571437 /nfs/dbraw/zinc/57/14/37/346571437.db2.gz CDXFQSJOZACVFV-UHFFFAOYSA-N 0 0 198.285 2.504 10 30 AFEERN C=CCCNC(=O)C(C)(C)C(C)(C)C 389259426 346571688 /nfs/dbraw/zinc/57/16/88/346571688.db2.gz HJKVFDSURSDGBF-UHFFFAOYSA-N 0 0 197.322 2.751 10 30 AFEERN C=C(CC)CS[C@H]1CCO[C@H]1C 393322911 346574826 /nfs/dbraw/zinc/57/48/26/346574826.db2.gz GYAYDRIEZMFGSY-UWVGGRQHSA-N 0 0 186.320 2.863 10 30 AFEERN C=C(C)CCSC[C@@H]1CCOC1 393313162 346574895 /nfs/dbraw/zinc/57/48/95/346574895.db2.gz AYTHTXBVNFYHDH-SNVBAGLBSA-N 0 0 186.320 2.722 10 30 AFEERN C=C(C)CCSC[C@H]1CCOC1 393313160 346575047 /nfs/dbraw/zinc/57/50/47/346575047.db2.gz AYTHTXBVNFYHDH-JTQLQIEISA-N 0 0 186.320 2.722 10 30 AFEERN C=C(CC)CS[C@@H]1CCO[C@H]1C 393322914 346575222 /nfs/dbraw/zinc/57/52/22/346575222.db2.gz GYAYDRIEZMFGSY-VHSXEESVSA-N 0 0 186.320 2.863 10 30 AFEERN C=C(CC)CS[C@H]1CCO[C@@H]1C 393322977 346575243 /nfs/dbraw/zinc/57/52/43/346575243.db2.gz GYAYDRIEZMFGSY-ZJUUUORDSA-N 0 0 186.320 2.863 10 30 AFEERN C=C(CC)CS[C@@H]1CCO[C@@H]1C 393322909 346575251 /nfs/dbraw/zinc/57/52/51/346575251.db2.gz GYAYDRIEZMFGSY-NXEZZACHSA-N 0 0 186.320 2.863 10 30 AFEERN CC(C)=CCSCC1(C#N)CC1 393330478 346575879 /nfs/dbraw/zinc/57/58/79/346575879.db2.gz HSSIRXDBGRVQRV-UHFFFAOYSA-N 0 0 181.304 2.990 10 30 AFEERN CC(=NO)c1ccccc1OC(C)C 393554996 346578904 /nfs/dbraw/zinc/57/89/04/346578904.db2.gz PBBRJMJBJCWDMN-UHFFFAOYSA-N 0 0 193.246 2.672 10 30 AFEERN CC(=NOC(C)(C)C)c1ccco1 393713163 346581804 /nfs/dbraw/zinc/58/18/04/346581804.db2.gz FZKNJNWIPIFDDM-UHFFFAOYSA-N 0 0 181.235 2.819 10 30 AFEERN C=C(CC)CSCc1ccn(C)n1 393707373 346581959 /nfs/dbraw/zinc/58/19/59/346581959.db2.gz YWFSVDLHCOVRQE-UHFFFAOYSA-N 0 0 196.319 2.620 10 30 AFEERN C=C(C)CNN=C1CCC(C)(C)C1 393717098 346582756 /nfs/dbraw/zinc/58/27/56/346582756.db2.gz WSGBXVJQFREZBD-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN CC(C)(C)NN=C[C@@H]1CC=CCC1 393723674 346583143 /nfs/dbraw/zinc/58/31/43/346583143.db2.gz NZCDJCQXWPXCOP-SNVBAGLBSA-N 0 0 180.295 2.717 10 30 AFEERN CC(=Nn1cccc1)c1cccs1 393720871 346583184 /nfs/dbraw/zinc/58/31/84/346583184.db2.gz UKMQJVOLDSHJCL-UHFFFAOYSA-N 0 0 190.271 2.822 10 30 AFEERN C[C@@H]1CC(=NOC2CCCC2)[C@@H]1C 393920721 346583855 /nfs/dbraw/zinc/58/38/55/346583855.db2.gz GPOAHXGLKHENLQ-RKDXNWHRSA-N 0 0 181.279 2.978 10 30 AFEERN C[C@H]1CC(=NOC2CCCC2)[C@@H]1C 393920718 346583915 /nfs/dbraw/zinc/58/39/15/346583915.db2.gz GPOAHXGLKHENLQ-DTWKUNHWSA-N 0 0 181.279 2.978 10 30 AFEERN C[C@H]1CC(=NOC2CCCC2)[C@H]1C 393920720 346584248 /nfs/dbraw/zinc/58/42/48/346584248.db2.gz GPOAHXGLKHENLQ-IUCAKERBSA-N 0 0 181.279 2.978 10 30 AFEERN N#Cc1ccc(N2CCC3(CC3)C2)cc1 400437467 346601535 /nfs/dbraw/zinc/60/15/35/346601535.db2.gz HMVVGQLWZQFPOX-UHFFFAOYSA-N 0 0 198.269 2.549 10 30 AFEERN C[C@H](CS)CC(F)(F)F 402514392 346630421 /nfs/dbraw/zinc/63/04/21/346630421.db2.gz KFEZGHHRAMQSCJ-BYPYZUCNSA-N 0 0 158.188 2.505 10 30 AFEERN C[C@@H](CS)CC(F)(F)F 402514398 346630444 /nfs/dbraw/zinc/63/04/44/346630444.db2.gz KFEZGHHRAMQSCJ-SCSAIBSYSA-N 0 0 158.188 2.505 10 30 AFEERN C=CC(=O)c1cccc2cnsc12 402973341 346633545 /nfs/dbraw/zinc/63/35/45/346633545.db2.gz CMHFJSNENVJCHA-UHFFFAOYSA-N 0 0 189.239 2.665 10 30 AFEERN O=CC1(CC=C(Cl)Cl)CC1 403369372 346635800 /nfs/dbraw/zinc/63/58/00/346635800.db2.gz MGIOPHQZUMOFOA-UHFFFAOYSA-N 0 0 179.046 2.675 10 30 AFEERN CC(C)(C=O)CC=C(Cl)Cl 403347118 346635844 /nfs/dbraw/zinc/63/58/44/346635844.db2.gz HOOOUFXNMZDBSP-UHFFFAOYSA-N 0 0 181.062 2.921 10 30 AFEERN CC(=O)C=C1C[C@@H]2CC[C@H](C1)S2 403580418 346637345 /nfs/dbraw/zinc/63/73/45/346637345.db2.gz SOYMGZAZTNSJLQ-AOOOYVTPSA-N 0 0 182.288 2.560 10 30 AFEERN C=C(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403727958 346638266 /nfs/dbraw/zinc/63/82/66/346638266.db2.gz JQLKSEXLNZWKBB-OPRDCNLKSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403727951 346638329 /nfs/dbraw/zinc/63/83/29/346638329.db2.gz JQLKSEXLNZWKBB-AEJSXWLSSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403778491 346638993 /nfs/dbraw/zinc/63/89/93/346638993.db2.gz WYTCJNQUVHMWPY-AXFHLTTASA-N 0 0 178.275 2.958 10 30 AFEERN O=C(C1=CCCCC1)c1cnsc1 404665671 346648451 /nfs/dbraw/zinc/64/84/51/346648451.db2.gz YKCOSMJXEZALAN-UHFFFAOYSA-N 0 0 193.271 2.826 10 30 AFEERN O=C1C=C(c2cnsc2)CCCC1 404712043 346649658 /nfs/dbraw/zinc/64/96/58/346649658.db2.gz FCLMCSGTFVAAQD-UHFFFAOYSA-N 0 0 193.271 2.670 10 30 AFEERN C[C@H]1CC(=O)C=C(c2cnsc2)C1 404707958 346649713 /nfs/dbraw/zinc/64/97/13/346649713.db2.gz BSSSXHWVCJCWQJ-SSDOTTSWSA-N 0 0 193.271 2.526 10 30 AFEERN C[C@@H]1CC(=O)C=C(c2cnsc2)C1 404707959 346649746 /nfs/dbraw/zinc/64/97/46/346649746.db2.gz BSSSXHWVCJCWQJ-ZETCQYMHSA-N 0 0 193.271 2.526 10 30 AFEERN O=C(C1=CCCCCC1)C1CSC1 405072706 346656738 /nfs/dbraw/zinc/65/67/38/346656738.db2.gz GFWGYTODTDYHFF-UHFFFAOYSA-N 0 0 196.315 2.809 10 30 AFEERN CC(C)(C#N)CNc1ccsc1 405127168 346658260 /nfs/dbraw/zinc/65/82/60/346658260.db2.gz BIVSYXBYFPKKEK-UHFFFAOYSA-N 0 0 180.276 2.710 10 30 AFEERN C[C@@H]1CC[C@](C=O)([C@@H]2CCSC2)C1 405236879 346660220 /nfs/dbraw/zinc/66/02/20/346660220.db2.gz FEPPCFONIAQVNQ-MXWKQRLJSA-N 0 0 198.331 2.745 10 30 AFEERN C[C@@H]1CC[C@@](C=O)([C@@H]2CCSC2)C1 405236878 346660382 /nfs/dbraw/zinc/66/03/82/346660382.db2.gz FEPPCFONIAQVNQ-GMTAPVOTSA-N 0 0 198.331 2.745 10 30 AFEERN C[C@@H]1CC[C@@](C=O)([C@H]2CCSC2)C1 405236881 346660468 /nfs/dbraw/zinc/66/04/68/346660468.db2.gz FEPPCFONIAQVNQ-OUAUKWLOSA-N 0 0 198.331 2.745 10 30 AFEERN C[C@@H]1CC[C@](C=O)([C@H]2CCSC2)C1 405236883 346660534 /nfs/dbraw/zinc/66/05/34/346660534.db2.gz FEPPCFONIAQVNQ-VWYCJHECSA-N 0 0 198.331 2.745 10 30 AFEERN O=CC1([C@@H]2CCSC2)CCCCC1 405262379 346661390 /nfs/dbraw/zinc/66/13/90/346661390.db2.gz PMBJJEKHSOJRCI-SNVBAGLBSA-N 0 0 198.331 2.889 10 30 AFEERN C[C@@H]1CCC[C@]1(C=O)[C@@H]1CCSC1 405261651 346661601 /nfs/dbraw/zinc/66/16/01/346661601.db2.gz PAUUYWBACBUGRM-GMTAPVOTSA-N 0 0 198.331 2.745 10 30 AFEERN O=CC1([C@H]2CCSC2)CCCCC1 405262377 346661604 /nfs/dbraw/zinc/66/16/04/346661604.db2.gz PMBJJEKHSOJRCI-JTQLQIEISA-N 0 0 198.331 2.889 10 30 AFEERN C[C@@H]1CCC[C@@]1(C=O)[C@H]1CCSC1 405261656 346661690 /nfs/dbraw/zinc/66/16/90/346661690.db2.gz PAUUYWBACBUGRM-VWYCJHECSA-N 0 0 198.331 2.745 10 30 AFEERN C[C@@H]1CCC[C@]1(C=O)[C@H]1CCSC1 405261654 346661758 /nfs/dbraw/zinc/66/17/58/346661758.db2.gz PAUUYWBACBUGRM-OUAUKWLOSA-N 0 0 198.331 2.745 10 30 AFEERN C[C@@H]1CCC[C@@]1(C=O)[C@@H]1CCSC1 405261653 346661801 /nfs/dbraw/zinc/66/18/01/346661801.db2.gz PAUUYWBACBUGRM-MXWKQRLJSA-N 0 0 198.331 2.745 10 30 AFEERN CC(C)(CCS)C1CC1 406084654 346677772 /nfs/dbraw/zinc/67/77/72/346677772.db2.gz VOLQMYXLTVWXKL-UHFFFAOYSA-N 0 0 144.283 2.743 10 30 AFEERN C=CCOc1ccc(Cl)cc1 575154745 346713598 /nfs/dbraw/zinc/71/35/98/346713598.db2.gz IGPSQDOKZBMJQE-UHFFFAOYSA-N 0 0 167.615 2.569 10 30 AFEERN CC(=NO)C1CCC(F)(F)CC1 575431728 346715533 /nfs/dbraw/zinc/71/55/33/346715533.db2.gz YKLGJKDFPSTNGV-UHFFFAOYSA-N 0 0 177.194 2.662 10 30 AFEERN C=C1CC[C@]2(C=C(C)C=CC2=O)C1 584590632 346718729 /nfs/dbraw/zinc/71/87/29/346718729.db2.gz IXULDFAYUJIMCR-LBPRGKRZSA-N 0 0 174.243 2.798 10 30 AFEERN C=C1CC[C@@]2(C=C(C)C=CC2=O)C1 584590631 346718813 /nfs/dbraw/zinc/71/88/13/346718813.db2.gz IXULDFAYUJIMCR-GFCCVEGCSA-N 0 0 174.243 2.798 10 30 AFEERN C/C(=N\Cc1ccccc1)C(F)F 584595295 346719122 /nfs/dbraw/zinc/71/91/22/346719122.db2.gz AJZKCZBXGUUREN-MDWZMJQESA-N 0 0 183.201 2.913 10 30 AFEERN C=C(C)c1ccc(C(=O)OC)cc1F 584597943 346719310 /nfs/dbraw/zinc/71/93/10/346719310.db2.gz UZBJNQBKRMCTQY-UHFFFAOYSA-N 0 0 194.205 2.645 10 30 AFEERN C#Cc1cc(C)c2c(c1)CC(C)(C)O2 584597581 346719571 /nfs/dbraw/zinc/71/95/71/346719571.db2.gz JQQFECPQIIOJBU-UHFFFAOYSA-N 0 0 186.254 2.690 10 30 AFEERN C=C[C@@H](C)OP(OCC)OCC 584600051 346719675 /nfs/dbraw/zinc/71/96/75/346719675.db2.gz GXCUKLSEXNHFMP-MRVPVSSYSA-N 0 0 192.195 2.877 10 30 AFEERN C=Cc1cc(F)c(C#N)cc1C 584599597 346719694 /nfs/dbraw/zinc/71/96/94/346719694.db2.gz KCUAVOHSPQKSPA-UHFFFAOYSA-N 0 0 161.179 2.649 10 30 AFEERN CC12CCC(C)(CC1)C(C=O)=C2O 584599770 346719702 /nfs/dbraw/zinc/71/97/02/346719702.db2.gz OEVIQFJTOGVZGA-FPLPWBNLSA-N 0 0 180.247 2.598 10 30 AFEERN O=CC1=C(O)C2CCCC1CCC2 584599832 346719751 /nfs/dbraw/zinc/71/97/51/346719751.db2.gz RJYSBDHLJWVEEH-JXMROGBWSA-N 0 0 180.247 2.598 10 30 AFEERN C=Cc1c(F)cc(C#N)c(F)c1C 584599628 346719788 /nfs/dbraw/zinc/71/97/88/346719788.db2.gz MAVJJLICSAXEKL-UHFFFAOYSA-N 0 0 179.169 2.788 10 30 AFEERN C=C[C@H](C)OP(OCC)OCC 584600052 346719832 /nfs/dbraw/zinc/71/98/32/346719832.db2.gz GXCUKLSEXNHFMP-QMMMGPOBSA-N 0 0 192.195 2.877 10 30 AFEERN CCCC(=O)ON=C1CCCCC1 584601265 346720293 /nfs/dbraw/zinc/72/02/93/346720293.db2.gz HEZDSQLYGNLVAP-UHFFFAOYSA-N 0 0 183.251 2.650 10 30 AFEERN C[Si](C)(C)C#CC#CC1CCC1 584600559 346720373 /nfs/dbraw/zinc/72/03/73/346720373.db2.gz QOZBEXAQWSBAEP-UHFFFAOYSA-N 0 0 176.335 2.671 10 30 AFEERN CCCCSC#CC1CC1 584600459 346720462 /nfs/dbraw/zinc/72/04/62/346720462.db2.gz DBNXELDKYSEASI-UHFFFAOYSA-N 0 0 154.278 2.891 10 30 AFEERN CC1(C#CC#C[Si](C)(C)C)CC1 584603387 346722125 /nfs/dbraw/zinc/72/21/25/346722125.db2.gz SKBTZFLVWXNCQN-UHFFFAOYSA-N 0 0 176.335 2.671 10 30 AFEERN C=CCCC[C@@H]1C[C@H]1C(C)=O 584603563 346722141 /nfs/dbraw/zinc/72/21/41/346722141.db2.gz FQAKPVWFSYYQDS-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)C1=C(c2ccccc2)C1(F)F 584606803 346722624 /nfs/dbraw/zinc/72/26/24/346722624.db2.gz VPLYHBNLPVPYCL-UHFFFAOYSA-N 0 0 194.180 2.678 10 30 AFEERN C=CCC[C@@](C)(C=C)OC(=O)OC 584606338 346722846 /nfs/dbraw/zinc/72/28/46/346722846.db2.gz QTJQJKCSIIQEOL-SNVBAGLBSA-N 0 0 184.235 2.680 10 30 AFEERN C=CCC[C@](C)(C=C)OC(=O)OC 584606337 346722946 /nfs/dbraw/zinc/72/29/46/346722946.db2.gz QTJQJKCSIIQEOL-JTQLQIEISA-N 0 0 184.235 2.680 10 30 AFEERN C=C(C#Cc1ccccc1)CSC 584607038 346723289 /nfs/dbraw/zinc/72/32/89/346723289.db2.gz OSPLMEXGUTUOCQ-UHFFFAOYSA-N 0 0 188.295 2.957 10 30 AFEERN C=C(CCS)c1ccccc1CO 584607181 346723376 /nfs/dbraw/zinc/72/33/76/346723376.db2.gz DIJJRTKLNGDWMK-UHFFFAOYSA-N 0 0 194.299 2.512 10 30 AFEERN C/C(Cl)=N/c1ccc([N+](=O)[O-])cc1 584607123 346723413 /nfs/dbraw/zinc/72/34/13/346723413.db2.gz IRWSYOXFSIHIOP-POHAHGRESA-N 0 0 198.609 2.884 10 30 AFEERN C[C@@H]1C[C@H]2[C@@H](C[C@@H]1S)C2(C)C 584607251 346723528 /nfs/dbraw/zinc/72/35/28/346723528.db2.gz OUKKWRCQPXCAEV-XAVMHZPKSA-N 0 0 170.321 2.987 10 30 AFEERN CC#C[C@H](F)COCc1ccccc1 584607650 346723887 /nfs/dbraw/zinc/72/38/87/346723887.db2.gz ZBKFURMAVDSGRD-LBPRGKRZSA-N 0 0 192.233 2.565 10 30 AFEERN CC1=C[C@@H](CCC=O)CCC1 584607618 346723982 /nfs/dbraw/zinc/72/39/82/346723982.db2.gz UXUCMAUDBGPNSA-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN CC1=C[C@H](CCC=O)CCC1 584607617 346724005 /nfs/dbraw/zinc/72/40/05/346724005.db2.gz UXUCMAUDBGPNSA-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN CC#C[C@@H](F)COCc1ccccc1 584607649 346724052 /nfs/dbraw/zinc/72/40/52/346724052.db2.gz ZBKFURMAVDSGRD-GFCCVEGCSA-N 0 0 192.233 2.565 10 30 AFEERN C/N=C/c1ccccc1OC(C)C 584607863 346724112 /nfs/dbraw/zinc/72/41/12/346724112.db2.gz MHIMFAZOJRESMJ-XYOKQWHBSA-N 0 0 177.247 2.523 10 30 AFEERN C=CC[C@@H](C=C)[C@@H]1COC(C)(C)O1 584608466 346724350 /nfs/dbraw/zinc/72/43/50/346724350.db2.gz YRBPQPJXHIDFEH-ZJUUUORDSA-N 0 0 182.263 2.516 10 30 AFEERN C[C@@H](c1ccccc1)[C@@H](F)C#N 584608025 346724353 /nfs/dbraw/zinc/72/43/53/346724353.db2.gz FMOGUIGNKXNFFD-WPRPVWTQSA-N 0 0 163.195 2.652 10 30 AFEERN C#C[C@@](C)(OCC)c1ccccc1 584607986 346724365 /nfs/dbraw/zinc/72/43/65/346724365.db2.gz BBLUXDWWHPNQLR-GFCCVEGCSA-N 0 0 174.243 2.572 10 30 AFEERN C=C[C@H](CC)CP(=O)(OC)OC 584608413 346724390 /nfs/dbraw/zinc/72/43/90/346724390.db2.gz NJEMXZMMQNYKHI-MRVPVSSYSA-N 0 0 192.195 2.685 10 30 AFEERN C=C[C@@H](CC)CP(=O)(OC)OC 584608414 346724402 /nfs/dbraw/zinc/72/44/02/346724402.db2.gz NJEMXZMMQNYKHI-QMMMGPOBSA-N 0 0 192.195 2.685 10 30 AFEERN C#C[C@](C)(OCC)c1ccccc1 584607987 346724438 /nfs/dbraw/zinc/72/44/38/346724438.db2.gz BBLUXDWWHPNQLR-LBPRGKRZSA-N 0 0 174.243 2.572 10 30 AFEERN CCCCC[C@H]1OC=CC(=O)[C@H]1C 584608746 346724499 /nfs/dbraw/zinc/72/44/99/346724499.db2.gz XAPLSAGWPQKBDZ-MWLCHTKSSA-N 0 0 182.263 2.684 10 30 AFEERN C[C@H](c1ccccc1)[C@@H](F)C#N 584608023 346724555 /nfs/dbraw/zinc/72/45/55/346724555.db2.gz FMOGUIGNKXNFFD-SCZZXKLOSA-N 0 0 163.195 2.652 10 30 AFEERN C=CC[C@@H](C=C)[C@H]1COC(C)(C)O1 584608465 346724611 /nfs/dbraw/zinc/72/46/11/346724611.db2.gz YRBPQPJXHIDFEH-NXEZZACHSA-N 0 0 182.263 2.516 10 30 AFEERN C#CC1(C=C2CCCC2)CC1 584608388 346724653 /nfs/dbraw/zinc/72/46/53/346724653.db2.gz MOUJVMQYMAGKMB-UHFFFAOYSA-N 0 0 146.233 2.900 10 30 AFEERN CC(C)[C@](C)(C=O)c1ccsc1 584608696 346724656 /nfs/dbraw/zinc/72/46/56/346724656.db2.gz AVBPJVYQMPFHAM-JTQLQIEISA-N 0 0 182.288 2.861 10 30 AFEERN CC(C)=COCC#C[Si](C)(C)C 584608879 346724925 /nfs/dbraw/zinc/72/49/25/346724925.db2.gz XUMQOZZRGVXGFW-UHFFFAOYSA-N 0 0 182.339 2.808 10 30 AFEERN O/N=C/CC/C=C/c1ccccc1 584609099 346725044 /nfs/dbraw/zinc/72/50/44/346725044.db2.gz MZKNVJJWAFDCMD-GVZDZPAXSA-N 0 0 175.231 2.940 10 30 AFEERN C=C1CCC[C@]2(O)CCCC[C@@H]12 584609097 346725067 /nfs/dbraw/zinc/72/50/67/346725067.db2.gz LTZMNYCRGLDOBC-WDEREUQCSA-N 0 0 166.264 2.648 10 30 AFEERN CCCCC[C@@H]1OC=CC(=O)[C@@H]1C 584608865 346725157 /nfs/dbraw/zinc/72/51/57/346725157.db2.gz XAPLSAGWPQKBDZ-ONGXEEELSA-N 0 0 182.263 2.684 10 30 AFEERN CC[C@H](/C=N/O)c1ccc(OC)cc1 584609301 346725450 /nfs/dbraw/zinc/72/54/50/346725450.db2.gz GFKUUVCZFMYDPT-YXYQAXARSA-N 0 0 193.246 2.649 10 30 AFEERN C=C(C)CCCCCC[N+](=O)[O-] 584609302 346725460 /nfs/dbraw/zinc/72/54/60/346725460.db2.gz GJTGGJXDWIMGIW-UHFFFAOYSA-N 0 0 171.240 2.790 10 30 AFEERN CC[C@H](C)/C=N/N(C)c1ccccn1 584609234 346725491 /nfs/dbraw/zinc/72/54/91/346725491.db2.gz ARRHFKLDRGGSJY-YWEFTTLKSA-N 0 0 191.278 2.550 10 30 AFEERN CC[C@@H](/C=N/O)c1ccc(OC)cc1 584609300 346725533 /nfs/dbraw/zinc/72/55/33/346725533.db2.gz GFKUUVCZFMYDPT-KWINOFQJSA-N 0 0 193.246 2.649 10 30 AFEERN CC[C@@H](C)/C=N/N(C)c1ccccn1 584609233 346725551 /nfs/dbraw/zinc/72/55/51/346725551.db2.gz ARRHFKLDRGGSJY-QQMDNXKGSA-N 0 0 191.278 2.550 10 30 AFEERN Cc1ccccc1/C=C1\CCC1=O 584609331 346725555 /nfs/dbraw/zinc/72/55/55/346725555.db2.gz IKKZTQWKWWRTQR-DHZHZOJOSA-N 0 0 172.227 2.741 10 30 AFEERN CO/N=C1\CCCCC1(C)C 584609858 346725760 /nfs/dbraw/zinc/72/57/60/346725760.db2.gz HEMYBNKVEGURPK-CSKARUKUSA-N 0 0 155.241 2.589 10 30 AFEERN C=C(C)C/C(=N\O)c1ccccc1 584609779 346725772 /nfs/dbraw/zinc/72/57/72/346725772.db2.gz STWOWWAIUKTEAD-VAWYXSNFSA-N 0 0 175.231 2.831 10 30 AFEERN CCC/C(=N\OC)[C@@H](C)CC 584609807 346725779 /nfs/dbraw/zinc/72/57/79/346725779.db2.gz XXGWZQGYJZRBFW-VPOJCXOPSA-N 0 0 157.257 2.835 10 30 AFEERN C=C(C(C)=O)c1cc(C)cnc1Cl 584609841 346725780 /nfs/dbraw/zinc/72/57/80/346725780.db2.gz CWRQRBHNHMOYLP-UHFFFAOYSA-N 0 0 195.649 2.646 10 30 AFEERN C=C(C)/C(C)=N/OC(=O)C(C)(C)C 584609713 346725783 /nfs/dbraw/zinc/72/57/83/346725783.db2.gz QJLGDAXAOQMIOO-DHZHZOJOSA-N 0 0 183.251 2.528 10 30 AFEERN BrC#C/C=C/c1ccco1 584609698 346725785 /nfs/dbraw/zinc/72/57/85/346725785.db2.gz WXFKORIFJUIGRF-DAFODLJHSA-N 0 0 197.031 2.649 10 30 AFEERN C#C/C=C/C1=CCCCC1 584609704 346725809 /nfs/dbraw/zinc/72/58/09/346725809.db2.gz PGSHSMSCAFRITJ-XVNBXDOJSA-N 0 0 132.206 2.676 10 30 AFEERN C=CC/N=C(\C)c1ccc(C#N)cc1 584609804 346725879 /nfs/dbraw/zinc/72/58/79/346725879.db2.gz XRERDQHTNJURRC-GXDHUFHOSA-N 0 0 184.242 2.553 10 30 AFEERN CC/C=C/c1cc(OC)ccc1C#N 584609749 346725905 /nfs/dbraw/zinc/72/59/05/346725905.db2.gz YPYLPOTUPIBWCP-SNAWJCMRSA-N 0 0 187.242 2.990 10 30 AFEERN CCC/C(=N\OC)[C@H](C)CC 584609806 346725912 /nfs/dbraw/zinc/72/59/12/346725912.db2.gz XXGWZQGYJZRBFW-KGSKPCQNSA-N 0 0 157.257 2.835 10 30 AFEERN C/C=C(\C)C(=O)c1cccc(OC)c1 584609886 346725947 /nfs/dbraw/zinc/72/59/47/346725947.db2.gz MDEGRAUGABMAGZ-RUDMXATFSA-N 0 0 190.242 2.844 10 30 AFEERN CCO/N=C1\CCCC[C@@H]1C 584609855 346725975 /nfs/dbraw/zinc/72/59/75/346725975.db2.gz GGQKFLMCEPFDOT-VPOJCXOPSA-N 0 0 155.241 2.589 10 30 AFEERN CC(F)=CC(=O)Cc1ccccc1 584609611 346725977 /nfs/dbraw/zinc/72/59/77/346725977.db2.gz KRGVUJUWRLQHEZ-VQHVLOKHSA-N 0 0 178.206 2.672 10 30 AFEERN C=C(C)CCCCC#CCC[N+](=O)[O-] 584609594 346726001 /nfs/dbraw/zinc/72/60/01/346726001.db2.gz QYWOXDPIXYRBMO-UHFFFAOYSA-N 0 0 195.262 2.793 10 30 AFEERN CC(F)=CC(=O)c1cccc(F)c1 584609798 346726008 /nfs/dbraw/zinc/72/60/08/346726008.db2.gz WEVNNNFQQTUNCI-FNORWQNLSA-N 0 0 182.169 2.882 10 30 AFEERN C=C(Cc1ccccc1)/C(C)=N/OC 584609821 346726029 /nfs/dbraw/zinc/72/60/29/346726029.db2.gz ZQURRCKZIUUJEY-ACCUITESSA-N 0 0 189.258 2.808 10 30 AFEERN C/C=C1/C(=O)c2ccccc2[C@H]1OC 584609890 346726045 /nfs/dbraw/zinc/72/60/45/346726045.db2.gz MMLJICIUMWTASB-KJPDOOANSA-N 0 0 188.226 2.517 10 30 AFEERN C=C(C)/C=C/c1ccoc1 584609874 346726055 /nfs/dbraw/zinc/72/60/55/346726055.db2.gz KBJTYYISMSJKPM-ONEGZZNKSA-N 0 0 134.178 2.869 10 30 AFEERN C/C=C1\COc2ccc(C)cc2C1=O 584609785 346726070 /nfs/dbraw/zinc/72/60/70/346726070.db2.gz UOLAUAXQZVJVGH-YCRREMRBSA-N 0 0 188.226 2.516 10 30 AFEERN CCO/N=C1\CCCC[C@H]1C 584609854 346726085 /nfs/dbraw/zinc/72/60/85/346726085.db2.gz GGQKFLMCEPFDOT-KGSKPCQNSA-N 0 0 155.241 2.589 10 30 AFEERN C=CC(=O)C=CCCCCC 584610091 346726341 /nfs/dbraw/zinc/72/63/41/346726341.db2.gz PQNCNTBSMDFKIS-BQYQJAHWSA-N 0 0 152.237 2.878 10 30 AFEERN N#Cc1ccc(/C=C/C(F)(F)F)cn1 584610169 346726347 /nfs/dbraw/zinc/72/63/47/346726347.db2.gz UCOSIXOZDDMFOZ-ONEGZZNKSA-N 0 0 198.147 2.529 10 30 AFEERN C=CC/[NH+]=C(\C)c1ccc(C)cc1 584610118 346726380 /nfs/dbraw/zinc/72/63/80/346726380.db2.gz JHNNZQNIURNQTK-ACCUITESSA-N 0 0 173.259 2.990 10 30 AFEERN C=C(C)/C=C/C[C@H](C)[C@@H]1CO1 584610309 346726414 /nfs/dbraw/zinc/72/64/14/346726414.db2.gz BTSQJPHVLPJYKZ-AWAZDUCLSA-N 0 0 152.237 2.544 10 30 AFEERN C=C/C=C/CC(C)(C)C#N 584609922 346726422 /nfs/dbraw/zinc/72/64/22/346726422.db2.gz RXPPUVDXLLXGDX-AATRIKPKSA-N 0 0 135.210 2.668 10 30 AFEERN C=C(c1ccccc1)[C@H]1CCCO1 584610343 346726488 /nfs/dbraw/zinc/72/64/88/346726488.db2.gz WNOKVJONRBYECV-GFCCVEGCSA-N 0 0 174.243 2.879 10 30 AFEERN C#CCC(C)(C)C/C=C/C(C)=O 584610100 346726522 /nfs/dbraw/zinc/72/65/22/346726522.db2.gz QFFWLJGJOLOERG-VOTSOKGWSA-N 0 0 164.248 2.571 10 30 AFEERN C=CC/N=C(\C)c1ccccc1F 584610286 346726547 /nfs/dbraw/zinc/72/65/47/346726547.db2.gz XNDJQLHFQFNCEC-UKTHLTGXSA-N 0 0 177.222 2.821 10 30 AFEERN CCCC/N=C(\C)C(F)(F)F 584610211 346726631 /nfs/dbraw/zinc/72/66/31/346726631.db2.gz NPQGEIZYFRGDIN-IZZDOVSWSA-N 0 0 167.174 2.810 10 30 AFEERN CCCCC#C[C@@H](CC)OC(C)=O 584610578 346727153 /nfs/dbraw/zinc/72/71/53/346727153.db2.gz KXDSZSFXJRBUMQ-LLVKDONJSA-N 0 0 182.263 2.522 10 30 AFEERN C=C1CC=CC=C1N1c2ccn(C)c21 584610393 346727154 /nfs/dbraw/zinc/72/71/54/346727154.db2.gz PRDORILBOFQCGN-UHFFFAOYSA-N 0 0 184.242 2.877 10 30 AFEERN C=C(C)[C@@H]1CC2(CC2)OC(C)(C)O1 584610683 346727156 /nfs/dbraw/zinc/72/71/56/346727156.db2.gz CGWNHVDQINBGAG-VIFPVBQESA-N 0 0 182.263 2.637 10 30 AFEERN C=C[C@H](C)CCCCC(=O)OC 584610479 346727178 /nfs/dbraw/zinc/72/71/78/346727178.db2.gz WWVMFHHFAZKSMY-VIFPVBQESA-N 0 0 170.252 2.542 10 30 AFEERN C=C(c1ccccc1)[C@@H]1CCCO1 584611022 346727440 /nfs/dbraw/zinc/72/74/40/346727440.db2.gz WNOKVJONRBYECV-LBPRGKRZSA-N 0 0 174.243 2.879 10 30 AFEERN CCCOC(=O)C[C@@H](C#N)CC(C)C 584610885 346727777 /nfs/dbraw/zinc/72/77/77/346727777.db2.gz YJTWOZSKIZFHID-JTQLQIEISA-N 0 0 197.278 2.516 10 30 AFEERN COc1ccc(C(=O)C=C(C)F)cc1 584611020 346727808 /nfs/dbraw/zinc/72/78/08/346727808.db2.gz ANDJTWPYLYYMQI-FPLPWBNLSA-N 0 0 194.205 2.751 10 30 AFEERN CC[C@@H](/C=N\O)c1ccc(OC)cc1 584611098 346727968 /nfs/dbraw/zinc/72/79/68/346727968.db2.gz GFKUUVCZFMYDPT-RILYUOAZSA-N 0 0 193.246 2.649 10 30 AFEERN CC[C@H](/C=N\O)c1ccc(OC)cc1 584611099 346727970 /nfs/dbraw/zinc/72/79/70/346727970.db2.gz GFKUUVCZFMYDPT-ZPBHHCQCSA-N 0 0 193.246 2.649 10 30 AFEERN C#Cc1ccccc1/C=C\C 584611213 346727997 /nfs/dbraw/zinc/72/79/97/346727997.db2.gz ZCMRABXVJOJLHK-CLTKARDFSA-N 0 0 142.201 2.701 10 30 AFEERN C=CC/[NH+]=C(/C)c1ccccc1C 584611545 346728019 /nfs/dbraw/zinc/72/80/19/346728019.db2.gz IAEZAUUVBHJBAB-QBFSEMIESA-N 0 0 173.259 2.990 10 30 AFEERN CC(F)=CC(=O)c1cccc(F)c1 584611266 346728030 /nfs/dbraw/zinc/72/80/30/346728030.db2.gz WEVNNNFQQTUNCI-ALCCZGGFSA-N 0 0 182.169 2.882 10 30 AFEERN C=CC/C(C(=O)OCC)=C(\C)Cl 584611440 346728162 /nfs/dbraw/zinc/72/81/62/346728162.db2.gz HAJBTHQRMGLOKJ-FPLPWBNLSA-N 0 0 188.654 2.638 10 30 AFEERN CC(F)=CC(=O)Cc1ccccc1 584611539 346728179 /nfs/dbraw/zinc/72/81/79/346728179.db2.gz KRGVUJUWRLQHEZ-CLFYSBASSA-N 0 0 178.206 2.672 10 30 AFEERN C/C=C1\CSc2ccccc2C1=O 584611167 346728183 /nfs/dbraw/zinc/72/81/83/346728183.db2.gz OIOZRJHCILEUBB-KRXBUXKQSA-N 0 0 190.267 2.921 10 30 AFEERN C=CC/N=C(/C)c1ccccc1F 584611906 346728200 /nfs/dbraw/zinc/72/82/00/346728200.db2.gz XNDJQLHFQFNCEC-LCYFTJDESA-N 0 0 177.222 2.821 10 30 AFEERN C=CC(=O)C=CCCCCC 584611915 346728263 /nfs/dbraw/zinc/72/82/63/346728263.db2.gz PQNCNTBSMDFKIS-FPLPWBNLSA-N 0 0 152.237 2.878 10 30 AFEERN C=CC/[NH+]=C(/C)c1ccc(OC)cc1 584611584 346728272 /nfs/dbraw/zinc/72/82/72/346728272.db2.gz LCGMHLCXHJFQAT-RAXLEYEMSA-N 0 0 189.258 2.690 10 30 AFEERN C=C(c1ccc(F)cc1)C1(O)CCC1 584612902 346728558 /nfs/dbraw/zinc/72/85/58/346728558.db2.gz WIIFNAGCBJNMII-UHFFFAOYSA-N 0 0 192.233 2.754 10 30 AFEERN C=C(CC(C)C)C1(O)CCC1 584613416 346728606 /nfs/dbraw/zinc/72/86/06/346728606.db2.gz JGZOKZIGDIWBLO-UHFFFAOYSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC(F)(F)c1cccc([N+](=O)[O-])c1 584612869 346728668 /nfs/dbraw/zinc/72/86/68/346728668.db2.gz SQGVGDJBPZHFQE-UHFFFAOYSA-N 0 0 199.156 2.873 10 30 AFEERN COc1ccc(C#CC(F)F)c(C)c1 584613488 346728700 /nfs/dbraw/zinc/72/87/00/346728700.db2.gz KVKHIPMQTGBXSU-UHFFFAOYSA-N 0 0 196.196 2.620 10 30 AFEERN C#CCCCC=C=CC1CC1 584613619 346729122 /nfs/dbraw/zinc/72/91/22/346729122.db2.gz AXKWGHVKPNZJEC-UHFFFAOYSA-N 0 0 146.233 2.911 10 30 AFEERN C=C(C)c1cccc(OC)c1C(C)=O 584615679 346729247 /nfs/dbraw/zinc/72/92/47/346729247.db2.gz DYIBSBJHPMTLQI-UHFFFAOYSA-N 0 0 190.242 2.931 10 30 AFEERN C=CCOc1ccc(OCC)cc1C 584616588 346729851 /nfs/dbraw/zinc/72/98/51/346729851.db2.gz HEVWXGQWFWVXJO-UHFFFAOYSA-N 0 0 192.258 2.959 10 30 AFEERN C=CCc1cccc(C)c1[N+](=O)[O-] 584616566 346730159 /nfs/dbraw/zinc/73/01/59/346730159.db2.gz BVFYTEDRCDOEPM-UHFFFAOYSA-N 0 0 177.203 2.632 10 30 AFEERN C=C[C@@](C)(CO)C1CCCCC1 584624711 346732234 /nfs/dbraw/zinc/73/22/34/346732234.db2.gz JBJNXDPBNHVUDQ-NSHDSACASA-N 0 0 168.280 2.751 10 30 AFEERN Cc1cc2oc(C#N)cc2cc1F 584624969 346732236 /nfs/dbraw/zinc/73/22/36/346732236.db2.gz UPRWRSOQWKYFGT-UHFFFAOYSA-N 0 0 175.162 2.752 10 30 AFEERN C(=NNc1cccnc1)c1ccccc1 584624821 346732240 /nfs/dbraw/zinc/73/22/40/346732240.db2.gz VMVTYKCBPUYSPD-NTEUORMPSA-N 0 0 197.241 2.528 10 30 AFEERN C=C[C@](C)(CO)C1CCCCC1 584624708 346732297 /nfs/dbraw/zinc/73/22/97/346732297.db2.gz JBJNXDPBNHVUDQ-LLVKDONJSA-N 0 0 168.280 2.751 10 30 AFEERN C=C1CN=C(C2CCCCC2)O1 584624701 346732323 /nfs/dbraw/zinc/73/23/23/346732323.db2.gz HTZHOVBSJXXKHU-UHFFFAOYSA-N 0 0 165.236 2.509 10 30 AFEERN N#C[C@@H](c1ccccc1)c1ccc[nH]1 584627169 346733223 /nfs/dbraw/zinc/73/32/23/346733223.db2.gz MGAYUTGXYDEIQI-NSHDSACASA-N 0 0 182.226 2.670 10 30 AFEERN N#C[C@H](c1ccccc1)c1ccc[nH]1 584627168 346733278 /nfs/dbraw/zinc/73/32/78/346733278.db2.gz MGAYUTGXYDEIQI-LLVKDONJSA-N 0 0 182.226 2.670 10 30 AFEERN C=C[C@@](C)(CC(C)C)OC(=O)OC 584630687 346734759 /nfs/dbraw/zinc/73/47/59/346734759.db2.gz XZBRXCTVGBBQFU-JTQLQIEISA-N 0 0 186.251 2.760 10 30 AFEERN C=C[C@](C)(CC(C)C)OC(=O)OC 584630688 346734820 /nfs/dbraw/zinc/73/48/20/346734820.db2.gz XZBRXCTVGBBQFU-SNVBAGLBSA-N 0 0 186.251 2.760 10 30 AFEERN C=CC(=O)OC[C@@H](C=C)C(C)(C)C 584630419 346734871 /nfs/dbraw/zinc/73/48/71/346734871.db2.gz XBVKFYZGAOYGPP-SECBINFHSA-N 0 0 182.263 2.564 10 30 AFEERN Nc1cccc(C#CC(F)=C(F)F)c1 584630535 346734909 /nfs/dbraw/zinc/73/49/09/346734909.db2.gz PSKUBESMXQEWJH-UHFFFAOYSA-N 0 0 197.159 2.698 10 30 AFEERN C=C(C)Cc1c(F)cc(F)cc1C=O 584630589 346734948 /nfs/dbraw/zinc/73/49/48/346734948.db2.gz HDIWDORTVMSCQH-UHFFFAOYSA-N 0 0 196.196 2.896 10 30 AFEERN C=CC(=O)OC[C@H](C=C)C(C)(C)C 584630420 346734967 /nfs/dbraw/zinc/73/49/67/346734967.db2.gz XBVKFYZGAOYGPP-VIFPVBQESA-N 0 0 182.263 2.564 10 30 AFEERN C=C(C)Cc1c(F)cc(F)cc1C#N 584630632 346735068 /nfs/dbraw/zinc/73/50/68/346735068.db2.gz MEUPMFQZGUGHME-UHFFFAOYSA-N 0 0 193.196 2.955 10 30 AFEERN C#C[C@H](CCCCCC)OCOC 584630763 346735301 /nfs/dbraw/zinc/73/53/01/346735301.db2.gz DYRSHIHWGXVELG-LLVKDONJSA-N 0 0 184.279 2.579 10 30 AFEERN C[C@H](CC#N)[Si](C)(C)C 584630797 346735336 /nfs/dbraw/zinc/73/53/36/346735336.db2.gz KQVKPMOUKPZUPT-SSDOTTSWSA-N 0 0 141.290 2.628 10 30 AFEERN C[C@@H](CC#N)[Si](C)(C)C 584630798 346735448 /nfs/dbraw/zinc/73/54/48/346735448.db2.gz KQVKPMOUKPZUPT-ZETCQYMHSA-N 0 0 141.290 2.628 10 30 AFEERN C#C[C@@H](CCCCCC)OCOC 584630767 346735493 /nfs/dbraw/zinc/73/54/93/346735493.db2.gz DYRSHIHWGXVELG-NSHDSACASA-N 0 0 184.279 2.579 10 30 AFEERN C=C(C)Cc1cc(C)ccc1C=O 584636174 346738043 /nfs/dbraw/zinc/73/80/43/346738043.db2.gz MGBHCMALXIAXHR-UHFFFAOYSA-N 0 0 174.243 2.926 10 30 AFEERN C=C1CCCc2ccccc2NC1=O 584631585 346735876 /nfs/dbraw/zinc/73/58/76/346735876.db2.gz WZGRNCCFNUXPLV-UHFFFAOYSA-N 0 0 187.242 2.518 10 30 AFEERN C=C1C[C@@H]2CC=C[C@@H]2C1 584631502 346735939 /nfs/dbraw/zinc/73/59/39/346735939.db2.gz AEOLYVXBYIWYPD-BDAKNGLRSA-N 0 0 120.195 2.529 10 30 AFEERN Cc1cccnc1C#Cc1ccsc1 584631548 346736018 /nfs/dbraw/zinc/73/60/18/346736018.db2.gz MFAPKPNTECLOEG-UHFFFAOYSA-N 0 0 199.278 2.851 10 30 AFEERN CCCCCCC[C@@H]1OC1(C#N)C#N 584632735 346736509 /nfs/dbraw/zinc/73/65/09/346736509.db2.gz XKLYJOATPKXTFW-JTQLQIEISA-N 0 0 192.262 2.532 10 30 AFEERN CCCCCCC[C@H]1OC1(C#N)C#N 584632744 346736580 /nfs/dbraw/zinc/73/65/80/346736580.db2.gz XKLYJOATPKXTFW-SNVBAGLBSA-N 0 0 192.262 2.532 10 30 AFEERN CC(C)(O)C#C[Si](C)(C)C(C)(C)C 584634448 346736932 /nfs/dbraw/zinc/73/69/32/346736932.db2.gz BMJXACQAAAECIM-UHFFFAOYSA-N 0 0 198.382 2.808 10 30 AFEERN C=C(C)Cc1cc(F)ccc1C=O 584635956 346737367 /nfs/dbraw/zinc/73/73/67/346737367.db2.gz YZPWMSFEQVQFFP-UHFFFAOYSA-N 0 0 178.206 2.757 10 30 AFEERN C#CC1=CC[C@H](CC)CC1 584635885 346737501 /nfs/dbraw/zinc/73/75/01/346737501.db2.gz LMTTXHOMKWEQNB-JTQLQIEISA-N 0 0 134.222 2.756 10 30 AFEERN C=C1CCC(=O)c2ccccc21 584635991 346737638 /nfs/dbraw/zinc/73/76/38/346737638.db2.gz DNFNAUSSFGZYHH-UHFFFAOYSA-N 0 0 158.200 2.676 10 30 AFEERN C#CC1=CC[C@@H](CC)CC1 584635887 346737680 /nfs/dbraw/zinc/73/76/80/346737680.db2.gz LMTTXHOMKWEQNB-SNVBAGLBSA-N 0 0 134.222 2.756 10 30 AFEERN C=C(C)Cc1cc(OC)ccc1C#N 584636226 346737910 /nfs/dbraw/zinc/73/79/10/346737910.db2.gz ZNPYXCHPOBOFEY-UHFFFAOYSA-N 0 0 187.242 2.685 10 30 AFEERN C=C1CCC(=O)CC[C@H]1C(C)C 584636261 346737929 /nfs/dbraw/zinc/73/79/29/346737929.db2.gz IGUQRHXWQLKPMY-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCC(=O)CC[C@@H]1C(C)C 584636260 346738009 /nfs/dbraw/zinc/73/80/09/346738009.db2.gz IGUQRHXWQLKPMY-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cccc(C(=O)CCCC#N)c1 584638575 346738552 /nfs/dbraw/zinc/73/85/52/346738552.db2.gz NHWMJSPXHUOKMY-UHFFFAOYSA-N 0 0 187.242 2.872 10 30 AFEERN C=C=C(CCCC=O)C(C)C 584638900 346738843 /nfs/dbraw/zinc/73/88/43/346738843.db2.gz SWHWPEPCNUOODT-UHFFFAOYSA-N 0 0 152.237 2.723 10 30 AFEERN C=C1CC[C@@]2(C=CC=C(C)C2=O)C1 584640373 346739189 /nfs/dbraw/zinc/73/91/89/346739189.db2.gz VHCSQAPGYSKIEC-LBPRGKRZSA-N 0 0 174.243 2.798 10 30 AFEERN CC(C)=C(C)CCCC(=O)CC#N 584640273 346739334 /nfs/dbraw/zinc/73/93/34/346739334.db2.gz VZNMYRUTMBGBMO-UHFFFAOYSA-N 0 0 179.263 2.996 10 30 AFEERN C=C1CC[C@]2(C=CC=C(C)C2=O)C1 584640372 346739348 /nfs/dbraw/zinc/73/93/48/346739348.db2.gz VHCSQAPGYSKIEC-GFCCVEGCSA-N 0 0 174.243 2.798 10 30 AFEERN C=CCC/C=N/C(=O)OC(C)(C)C 584645202 346740654 /nfs/dbraw/zinc/74/06/54/346740654.db2.gz YKMPASYBZWZFEL-DHZHZOJOSA-N 0 0 183.251 2.959 10 30 AFEERN C#C[C@@](C)(O)CCC[C@H](C)CCC 584647506 346741213 /nfs/dbraw/zinc/74/12/13/346741213.db2.gz WXLWKWHSBRSLAD-VXGBXAGGSA-N 0 0 182.307 2.977 10 30 AFEERN C#C[C@@](C)(O)CCC[C@@H](C)CCC 584647503 346741217 /nfs/dbraw/zinc/74/12/17/346741217.db2.gz WXLWKWHSBRSLAD-NWDGAFQWSA-N 0 0 182.307 2.977 10 30 AFEERN CC(C)C#CC[Si](C)(C)C 584647427 346741222 /nfs/dbraw/zinc/74/12/22/346741222.db2.gz HWLMAPISHOTADL-UHFFFAOYSA-N 0 0 154.329 2.984 10 30 AFEERN C=C(CCCCCC)NC(C)=O 584647200 346741298 /nfs/dbraw/zinc/74/12/98/346741298.db2.gz DUUXQTRVJHCYCL-UHFFFAOYSA-N 0 0 169.268 2.607 10 30 AFEERN N#C[C@H](CC1CC1)c1cccnc1F 584647245 346741317 /nfs/dbraw/zinc/74/13/17/346741317.db2.gz OGLOMRPEFWNZHG-VIFPVBQESA-N 0 0 190.221 2.628 10 30 AFEERN C#C[C@](C)(O)CCC[C@H](C)CCC 584647501 346741327 /nfs/dbraw/zinc/74/13/27/346741327.db2.gz WXLWKWHSBRSLAD-NEPJUHHUSA-N 0 0 182.307 2.977 10 30 AFEERN C#C[C@](C)(O)CCC[C@@H](C)CCC 584647504 346741370 /nfs/dbraw/zinc/74/13/70/346741370.db2.gz WXLWKWHSBRSLAD-RYUDHWBXSA-N 0 0 182.307 2.977 10 30 AFEERN N#C[C@@H](CC1CC1)c1cccnc1F 584647244 346741490 /nfs/dbraw/zinc/74/14/90/346741490.db2.gz OGLOMRPEFWNZHG-SECBINFHSA-N 0 0 190.221 2.628 10 30 AFEERN CC(C)(C)/N=C(/C#N)c1ccccc1 584650011 346741981 /nfs/dbraw/zinc/74/19/81/346741981.db2.gz HHVSUIMYAZGDGC-KAMYIIQDSA-N 0 0 186.258 2.798 10 30 AFEERN C=C1C=C2C[C@H]3C[C@H]3C2=CC1 584652379 346742905 /nfs/dbraw/zinc/74/29/05/346742905.db2.gz QIBCFCQRECMSAK-GXSJLCMTSA-N 0 0 144.217 2.839 10 30 AFEERN C=C1C=C2C[C@@H]3C[C@@H]3C2=CC1 584652391 346742934 /nfs/dbraw/zinc/74/29/34/346742934.db2.gz QIBCFCQRECMSAK-KOLCDFICSA-N 0 0 144.217 2.839 10 30 AFEERN C#C[C@](C)(O)CCC[C@H](C)CC 584652024 346742953 /nfs/dbraw/zinc/74/29/53/346742953.db2.gz WWTZINRTYYWLMH-MNOVXSKESA-N 0 0 168.280 2.587 10 30 AFEERN C#C[C@@](C)(O)CCC[C@H](C)CC 584652021 346743006 /nfs/dbraw/zinc/74/30/06/346743006.db2.gz WWTZINRTYYWLMH-GHMZBOCLSA-N 0 0 168.280 2.587 10 30 AFEERN C#C[C@](C)(O)CCC[C@@H](C)CC 584652025 346743074 /nfs/dbraw/zinc/74/30/74/346743074.db2.gz WWTZINRTYYWLMH-QWRGUYRKSA-N 0 0 168.280 2.587 10 30 AFEERN C#C[C@@](C)(O)CCC[C@@H](C)CC 584652026 346743083 /nfs/dbraw/zinc/74/30/83/346743083.db2.gz WWTZINRTYYWLMH-WDEREUQCSA-N 0 0 168.280 2.587 10 30 AFEERN C=C/N=C/OC1CCCCC1 584657404 346743861 /nfs/dbraw/zinc/74/38/61/346743861.db2.gz UWMMAXVCGVSQJP-CSKARUKUSA-N 0 0 153.225 2.508 10 30 AFEERN C=C1[C@@H](C)CCC1(C)C 584657145 346743869 /nfs/dbraw/zinc/74/38/69/346743869.db2.gz UQWAKNKLQKXTSN-ZETCQYMHSA-N 0 0 124.227 2.999 10 30 AFEERN CO/N=C(\C)Cc1ccc(C)cc1 584657190 346743872 /nfs/dbraw/zinc/74/38/72/346743872.db2.gz JBOUYFVSDFXWSB-ZRDIBKRKSA-N 0 0 177.247 2.560 10 30 AFEERN C=C[C@@H]1[C@H]2CCCC[C@H]21 584657358 346743944 /nfs/dbraw/zinc/74/39/44/346743944.db2.gz ITKCHJWMYGIYOO-PSVAKVPMSA-N 0 0 122.211 2.609 10 30 AFEERN C=CC(=C)[C@@](C)(O)c1ccccc1 584657269 346743949 /nfs/dbraw/zinc/74/39/49/346743949.db2.gz LRVMTARXBGQLBS-GFCCVEGCSA-N 0 0 174.243 2.636 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@H]1C(=O)OCC 584657349 346743965 /nfs/dbraw/zinc/74/39/65/346743965.db2.gz HSBHAINSLMPXEP-VWYCJHECSA-N 0 0 196.290 2.788 10 30 AFEERN CCCCO/C=C/C1=CC(=O)CCC1 584657118 346744009 /nfs/dbraw/zinc/74/40/09/346744009.db2.gz NDBLTDIFJLQBBU-VQHVLOKHSA-N 0 0 194.274 2.996 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)[C@@H]1C(=O)OCC 584657348 346744017 /nfs/dbraw/zinc/74/40/17/346744017.db2.gz HSBHAINSLMPXEP-DCAQKATOSA-N 0 0 196.290 2.788 10 30 AFEERN C=C1[C@H](C)CCC1(C)C 584657144 346744080 /nfs/dbraw/zinc/74/40/80/346744080.db2.gz UQWAKNKLQKXTSN-SSDOTTSWSA-N 0 0 124.227 2.999 10 30 AFEERN C=CC(=C)[C@](C)(O)c1ccccc1 584657270 346744084 /nfs/dbraw/zinc/74/40/84/346744084.db2.gz LRVMTARXBGQLBS-LBPRGKRZSA-N 0 0 174.243 2.636 10 30 AFEERN C=C(C)[C@@H]1CC[C@]2(C)CC(=O)O[C@@H]2C1 584657545 346744391 /nfs/dbraw/zinc/74/43/91/346744391.db2.gz ACNRFAAJZDHPSA-CKYFFXLPSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@H]1CCC[C@@H]2C=CC[C@H](C=O)[C@@H]12 584657721 346744430 /nfs/dbraw/zinc/74/44/30/346744430.db2.gz FNNNWYULYUGBGO-QCNOEVLYSA-N 0 0 178.275 2.814 10 30 AFEERN C[C@H]1CCC[C@@H]2C=CC[C@H](C=O)[C@H]12 584657720 346744566 /nfs/dbraw/zinc/74/45/66/346744566.db2.gz FNNNWYULYUGBGO-IRCOFANPSA-N 0 0 178.275 2.814 10 30 AFEERN C=CCC[C@@H]1CC[C@H](CCCCO)O1 584657555 346744596 /nfs/dbraw/zinc/74/45/96/346744596.db2.gz BSWMXUVQHTYRTB-NEPJUHHUSA-N 0 0 198.306 2.663 10 30 AFEERN C=C[C@H](C)[C@H](ON)c1ccc(F)cc1 584658037 346744853 /nfs/dbraw/zinc/74/48/53/346744853.db2.gz KNKOQWZQCJUKLJ-KWQFWETISA-N 0 0 195.237 2.579 10 30 AFEERN C[C@H]1CCC[C@@H]2C=CC[C@@H](C=O)[C@H]12 584657722 346744916 /nfs/dbraw/zinc/74/49/16/346744916.db2.gz FNNNWYULYUGBGO-WHOHXGKFSA-N 0 0 178.275 2.814 10 30 AFEERN CSC(=O)/C=C(\C)C(C)(C)C 584658140 346745583 /nfs/dbraw/zinc/74/55/83/346745583.db2.gz IGGAAKWJYJBLAM-VOTSOKGWSA-N 0 0 172.293 2.868 10 30 AFEERN C=C[C@@H]1C2=CC=CC=CC[C@@H]21 584658214 346745472 /nfs/dbraw/zinc/74/54/72/346745472.db2.gz XJGBILOHUINKCR-MWLCHTKSSA-N 0 0 144.217 2.861 10 30 AFEERN C=C[C@@H]1C2=CC=CC=CC[C@H]21 584658210 346745526 /nfs/dbraw/zinc/74/55/26/346745526.db2.gz XJGBILOHUINKCR-KOLCDFICSA-N 0 0 144.217 2.861 10 30 AFEERN C=C[C@H]1C2=CC=CC=CC[C@H]21 584658216 346745551 /nfs/dbraw/zinc/74/55/51/346745551.db2.gz XJGBILOHUINKCR-ONGXEEELSA-N 0 0 144.217 2.861 10 30 AFEERN C=C[C@H]1C2=CC=CC=CC[C@@H]21 584658206 346745572 /nfs/dbraw/zinc/74/55/72/346745572.db2.gz XJGBILOHUINKCR-GXSJLCMTSA-N 0 0 144.217 2.861 10 30 AFEERN C=C[C@@]12OC(=O)[C@H](C)C[C@@H]1CC[C@H]2C 584659826 346746023 /nfs/dbraw/zinc/74/60/23/346746023.db2.gz VKAMQZDEZYFWSO-SVDPJWKOSA-N 0 0 194.274 2.540 10 30 AFEERN [N-]=[N+]=Nc1cccc(N=[N+]=[N-])n1 584660626 346746111 /nfs/dbraw/zinc/74/61/11/346746111.db2.gz YZRDEMLDWVSUDZ-UHFFFAOYSA-N 0 0 161.128 2.965 10 30 AFEERN CC[C@@H](C)[C@H]1O[C@H](CC=O)C=C[C@@H]1C 584659293 346746129 /nfs/dbraw/zinc/74/61/29/346746129.db2.gz LFTMEDGCUKSGOK-NOOOWODRSA-N 0 0 196.290 2.581 10 30 AFEERN Cc1ccc(C#C[Si](C)(C)C)o1 584660697 346746481 /nfs/dbraw/zinc/74/64/81/346746481.db2.gz FLXQSIHFRGMSIB-UHFFFAOYSA-N 0 0 178.307 2.817 10 30 AFEERN C#Cc1ccsc1C#CCCC 584660898 346746561 /nfs/dbraw/zinc/74/65/61/346746561.db2.gz UIADXBPMRSOKMM-UHFFFAOYSA-N 0 0 174.268 2.881 10 30 AFEERN C#CC(C)(C)OCc1ccc(C)cc1 584882488 346749603 /nfs/dbraw/zinc/74/96/03/346749603.db2.gz LZZLTGOBQMEZLJ-UHFFFAOYSA-N 0 0 188.270 2.923 10 30 AFEERN C#CC(C)(C)OCc1ccccc1F 584882579 346749613 /nfs/dbraw/zinc/74/96/13/346749613.db2.gz PIAVUZOYFDOGLI-UHFFFAOYSA-N 0 0 192.233 2.754 10 30 AFEERN C#CC(C)(C)OCc1cccc(C)c1 584882525 346749775 /nfs/dbraw/zinc/74/97/75/346749775.db2.gz MZYFXGGHIQQJSJ-UHFFFAOYSA-N 0 0 188.270 2.923 10 30 AFEERN C#CC(C)(C)OCc1ccc(F)cc1 584882606 346749853 /nfs/dbraw/zinc/74/98/53/346749853.db2.gz QWJWVYQDCNGJRD-UHFFFAOYSA-N 0 0 192.233 2.754 10 30 AFEERN C#CC(C)(C)OCc1ccccc1C 584882628 346749873 /nfs/dbraw/zinc/74/98/73/346749873.db2.gz RUNVTMKCPXHYJV-UHFFFAOYSA-N 0 0 188.270 2.923 10 30 AFEERN C#CC(C)(C)OCc1cccc(F)c1 584882629 346750508 /nfs/dbraw/zinc/75/05/08/346750508.db2.gz SDTJALQBGVDDOV-UHFFFAOYSA-N 0 0 192.233 2.754 10 30 AFEERN C=CCCC(=O)NCC1CCCCC1 588014651 346764396 /nfs/dbraw/zinc/76/43/96/346764396.db2.gz XPOUURKUMAIHFK-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCC(=O)NCCC1CCCC1 588022574 346764475 /nfs/dbraw/zinc/76/44/75/346764475.db2.gz GTMDKNWDTSVGFW-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCC(=O)N1CCC[C@@H]1C(C)C 588091604 346765252 /nfs/dbraw/zinc/76/52/52/346765252.db2.gz FFBOXSMJVPNMRY-LLVKDONJSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CCC(CC)CC1 588088074 346765273 /nfs/dbraw/zinc/76/52/73/346765273.db2.gz DBJPRWNLQREWMW-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCC(=O)N1CCC[C@H]1C(C)C 588091605 346765279 /nfs/dbraw/zinc/76/52/79/346765279.db2.gz FFBOXSMJVPNMRY-NSHDSACASA-N 0 0 195.306 2.600 10 30 AFEERN CC(C)CC1(C)CCN(CC#N)CC1 588977774 346768604 /nfs/dbraw/zinc/76/86/04/346768604.db2.gz HYKAMZQQYFDSJE-UHFFFAOYSA-N 0 0 194.322 2.658 10 30 AFEERN CN(CC#N)CCC1CCCCCC1 589158340 346769371 /nfs/dbraw/zinc/76/93/71/346769371.db2.gz HONSHILEIVICMG-UHFFFAOYSA-N 0 0 194.322 2.802 10 30 AFEERN Cc1cnccc1-c1ccccc1C#N 589962546 346774748 /nfs/dbraw/zinc/77/47/48/346774748.db2.gz WTLLMCHIYUEFRK-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN C=CCN(CCC#N)CCC(C)(C)C 590002908 346775543 /nfs/dbraw/zinc/77/55/43/346775543.db2.gz CYJCSLVVGSHSIE-UHFFFAOYSA-N 0 0 194.322 2.824 10 30 AFEERN C=CCN(CCC#N)CC1(C)CCC1 590050671 346776150 /nfs/dbraw/zinc/77/61/50/346776150.db2.gz AYOQZPMLUOLLMC-UHFFFAOYSA-N 0 0 192.306 2.578 10 30 AFEERN C=C(C)[C@@H](CO)SC1CCCC1 590709391 346787726 /nfs/dbraw/zinc/78/77/26/346787726.db2.gz ACJMIPCCQWESPE-SNVBAGLBSA-N 0 0 186.320 2.599 10 30 AFEERN C[C@@H](C#N)CN(C)CC1=CCCCC1 590690617 346787769 /nfs/dbraw/zinc/78/77/69/346787769.db2.gz KYNSVWSUSWSNIQ-NSHDSACASA-N 0 0 192.306 2.578 10 30 AFEERN C[C@H](C#N)CN(C)CC1=CCCCC1 590690616 346787787 /nfs/dbraw/zinc/78/77/87/346787787.db2.gz KYNSVWSUSWSNIQ-LLVKDONJSA-N 0 0 192.306 2.578 10 30 AFEERN C=C(C)[C@H](CO)SC1CCCC1 590709386 346787880 /nfs/dbraw/zinc/78/78/80/346787880.db2.gz ACJMIPCCQWESPE-JTQLQIEISA-N 0 0 186.320 2.599 10 30 AFEERN C=C(C)[C@H](CO)SC(CC)CC 590723738 346789541 /nfs/dbraw/zinc/78/95/41/346789541.db2.gz TXWNROKUTYYHCI-JTQLQIEISA-N 0 0 188.336 2.845 10 30 AFEERN C=C(C)[C@@H](CO)SC(CC)CC 590723739 346789587 /nfs/dbraw/zinc/78/95/87/346789587.db2.gz TXWNROKUTYYHCI-SNVBAGLBSA-N 0 0 188.336 2.845 10 30 AFEERN C=C(C)[C@H](CO)SC[C@H](C)CC 590726693 346789704 /nfs/dbraw/zinc/78/97/04/346789704.db2.gz CFSLDQBQYHFMQU-ZJUUUORDSA-N 0 0 188.336 2.703 10 30 AFEERN C=C(C)[C@H](CO)SC[C@@H](C)CC 590726691 346789738 /nfs/dbraw/zinc/78/97/38/346789738.db2.gz CFSLDQBQYHFMQU-UWVGGRQHSA-N 0 0 188.336 2.703 10 30 AFEERN C=C(C)[C@@H](CO)SC[C@@H](C)CC 590726692 346789755 /nfs/dbraw/zinc/78/97/55/346789755.db2.gz CFSLDQBQYHFMQU-VHSXEESVSA-N 0 0 188.336 2.703 10 30 AFEERN C=C(C)[C@@H](CO)SC[C@H](C)CC 590726690 346789778 /nfs/dbraw/zinc/78/97/78/346789778.db2.gz CFSLDQBQYHFMQU-NXEZZACHSA-N 0 0 188.336 2.703 10 30 AFEERN C=C(C)[C@H](CO)S[C@@H](C)C(C)C 590726894 346790227 /nfs/dbraw/zinc/79/02/27/346790227.db2.gz GOHMBVZBCUIVBW-UWVGGRQHSA-N 0 0 188.336 2.701 10 30 AFEERN C=C(C)[C@@H](CO)S[C@H](C)C(C)C 590726893 346790297 /nfs/dbraw/zinc/79/02/97/346790297.db2.gz GOHMBVZBCUIVBW-NXEZZACHSA-N 0 0 188.336 2.701 10 30 AFEERN C=C(C)[C@@H](CO)S[C@@H](C)C(C)C 590726895 346790327 /nfs/dbraw/zinc/79/03/27/346790327.db2.gz GOHMBVZBCUIVBW-VHSXEESVSA-N 0 0 188.336 2.701 10 30 AFEERN C=C(C)[C@H](CO)SCCCCC 590736734 346790831 /nfs/dbraw/zinc/79/08/31/346790831.db2.gz YVPBUDHWLVPURV-JTQLQIEISA-N 0 0 188.336 2.847 10 30 AFEERN C=C(C)[C@@H](CO)SCCCCC 590736735 346790982 /nfs/dbraw/zinc/79/09/82/346790982.db2.gz YVPBUDHWLVPURV-SNVBAGLBSA-N 0 0 188.336 2.847 10 30 AFEERN C=C(C)CSC1CCC1 590739801 346791791 /nfs/dbraw/zinc/79/17/91/346791791.db2.gz BYAOBVOCNJSJOJ-UHFFFAOYSA-N 0 0 142.267 2.848 10 30 AFEERN N#CCCCSc1ncccc1F 590743769 346792518 /nfs/dbraw/zinc/79/25/18/346792518.db2.gz UCSCGCNQSUZTIJ-UHFFFAOYSA-N 0 0 196.250 2.617 10 30 AFEERN C=C(C)CN(C)c1c(F)cccc1F 590927132 346797137 /nfs/dbraw/zinc/79/71/37/346797137.db2.gz FEYTVOWQJXJIBY-UHFFFAOYSA-N 0 0 197.228 2.977 10 30 AFEERN C[C@H]1C[C@@H](SCCC#N)C[C@@H](C)O1 591132959 346807133 /nfs/dbraw/zinc/80/71/33/346807133.db2.gz GKMYDRWZQHBULD-MYJAWHEDSA-N 0 0 199.319 2.589 10 30 AFEERN CC1(CSCCC#N)CCC1 591132963 346807159 /nfs/dbraw/zinc/80/71/59/346807159.db2.gz ICBDUKYNLCZRAZ-UHFFFAOYSA-N 0 0 169.293 2.823 10 30 AFEERN C=C(C)CCSCCC#N 591132945 346807214 /nfs/dbraw/zinc/80/72/14/346807214.db2.gz BHUCIVCPLGNTHK-UHFFFAOYSA-N 0 0 155.266 2.599 10 30 AFEERN Cc1ncsc1CSCCC#N 591132950 346807274 /nfs/dbraw/zinc/80/72/74/346807274.db2.gz DKVHYXCBMTWYQW-UHFFFAOYSA-N 0 0 198.316 2.598 10 30 AFEERN C[C@H]1C[C@H](SCCC#N)C[C@@H](C)O1 591132958 346807305 /nfs/dbraw/zinc/80/73/05/346807305.db2.gz GKMYDRWZQHBULD-ILWJIGKKSA-N 0 0 199.319 2.589 10 30 AFEERN C=C(CC)CSCCC#N 591133731 346807694 /nfs/dbraw/zinc/80/76/94/346807694.db2.gz DOQBTUBWFXHCGW-UHFFFAOYSA-N 0 0 155.266 2.599 10 30 AFEERN CC/C=C\CCSCCC#N 591133740 346807705 /nfs/dbraw/zinc/80/77/05/346807705.db2.gz HFADODUFHPNHEH-ARJAWSKDSA-N 0 0 169.293 2.990 10 30 AFEERN C[C@H](CSCCC#N)C(F)(F)F 591133757 346807706 /nfs/dbraw/zinc/80/77/06/346807706.db2.gz MNODGOALHOTAMU-ZCFIWIBFSA-N 0 0 197.225 2.832 10 30 AFEERN CC/C=C/CCSCCC#N 591133741 346807707 /nfs/dbraw/zinc/80/77/07/346807707.db2.gz HFADODUFHPNHEH-ONEGZZNKSA-N 0 0 169.293 2.990 10 30 AFEERN Cc1ccc(CSCCC#N)nc1 591133713 346807736 /nfs/dbraw/zinc/80/77/36/346807736.db2.gz ANOHNFRITBDYDU-UHFFFAOYSA-N 0 0 192.287 2.537 10 30 AFEERN C[C@@H](CSCCC#N)C(F)(F)F 591133756 346807740 /nfs/dbraw/zinc/80/77/40/346807740.db2.gz MNODGOALHOTAMU-LURJTMIESA-N 0 0 197.225 2.832 10 30 AFEERN Cc1ncc(CSCCC#N)s1 591133736 346807745 /nfs/dbraw/zinc/80/77/45/346807745.db2.gz FZKOWLIEALZLAT-UHFFFAOYSA-N 0 0 198.316 2.598 10 30 AFEERN COC1(CSCCC#N)CCCC1 591133737 346807751 /nfs/dbraw/zinc/80/77/51/346807751.db2.gz GJIPTKSFXYGVAU-UHFFFAOYSA-N 0 0 199.319 2.592 10 30 AFEERN N#CCCSCCOC1CCCC1 591133738 346807766 /nfs/dbraw/zinc/80/77/66/346807766.db2.gz GUGSXBRCNWVNHW-UHFFFAOYSA-N 0 0 199.319 2.592 10 30 AFEERN C[C@H](SCCC#N)c1cccnc1 591133916 346808191 /nfs/dbraw/zinc/80/81/91/346808191.db2.gz GELARYNCRUKNMF-VIFPVBQESA-N 0 0 192.287 2.789 10 30 AFEERN Cc1nc(CSCCC#N)cs1 591134182 346808419 /nfs/dbraw/zinc/80/84/19/346808419.db2.gz BGSADMRJLFUIMF-UHFFFAOYSA-N 0 0 198.316 2.598 10 30 AFEERN C[C@@H](SCCC#N)c1cccnc1 591133915 346808453 /nfs/dbraw/zinc/80/84/53/346808453.db2.gz GELARYNCRUKNMF-SECBINFHSA-N 0 0 192.287 2.789 10 30 AFEERN C=CCCC[C@H](C)SCCCO 591134322 346808501 /nfs/dbraw/zinc/80/85/01/346808501.db2.gz PALFDWODFKSNDP-JTQLQIEISA-N 0 0 188.336 2.847 10 30 AFEERN C=CCCC[C@@H](C)SCCCO 591134323 346808525 /nfs/dbraw/zinc/80/85/25/346808525.db2.gz PALFDWODFKSNDP-SNVBAGLBSA-N 0 0 188.336 2.847 10 30 AFEERN C=CCCCSCCC#N 591133914 346808578 /nfs/dbraw/zinc/80/85/78/346808578.db2.gz DTNIBMLOIIWPSV-UHFFFAOYSA-N 0 0 155.266 2.599 10 30 AFEERN Cc1ccc(OCCC#N)cc1Cl 591242827 346809588 /nfs/dbraw/zinc/80/95/88/346809588.db2.gz BENCEYDDSUCLFO-UHFFFAOYSA-N 0 0 195.649 2.941 10 30 AFEERN N#Cc1ccn(CC2=CCCCC2)c1 591366748 346811702 /nfs/dbraw/zinc/81/17/02/346811702.db2.gz DTZONCMQKIAGTR-UHFFFAOYSA-N 0 0 186.258 2.860 10 30 AFEERN CCCSCc1nc(C#N)cs1 591379852 346813098 /nfs/dbraw/zinc/81/30/98/346813098.db2.gz LEMFEBQZESNRQM-UHFFFAOYSA-N 0 0 198.316 2.658 10 30 AFEERN C=CCN1C[C@@H](C)Cc2ccccc21 591379509 346813352 /nfs/dbraw/zinc/81/33/52/346813352.db2.gz BOMINOUIYXNPCI-NSHDSACASA-N 0 0 187.286 2.871 10 30 AFEERN C=CCSCCC1CCOCC1 591382685 346813965 /nfs/dbraw/zinc/81/39/65/346813965.db2.gz BBHVWCLJROVFBM-UHFFFAOYSA-N 0 0 186.320 2.722 10 30 AFEERN C=CCSCc1ccnc(OC)c1 591382683 346813982 /nfs/dbraw/zinc/81/39/82/346813982.db2.gz AVWZNGFZQGTZPA-UHFFFAOYSA-N 0 0 195.287 2.509 10 30 AFEERN C/C=C\CSCC1(C#N)CCC1 591381733 346814015 /nfs/dbraw/zinc/81/40/15/346814015.db2.gz DJUVMAYHPPHRDG-IHWYPQMZSA-N 0 0 181.304 2.990 10 30 AFEERN C/C=C/CSCC1(C#N)CCC1 591381734 346814052 /nfs/dbraw/zinc/81/40/52/346814052.db2.gz DJUVMAYHPPHRDG-NSCUHMNNSA-N 0 0 181.304 2.990 10 30 AFEERN C=CCSCCc1cncs1 591382693 346814095 /nfs/dbraw/zinc/81/40/95/346814095.db2.gz GMWOEGPMIMEETP-UHFFFAOYSA-N 0 0 185.317 2.605 10 30 AFEERN C=C(C)CSC[C@H](CC)OC 591385760 346814285 /nfs/dbraw/zinc/81/42/85/346814285.db2.gz CPBRNFKTSRZRCS-VIFPVBQESA-N 0 0 174.309 2.721 10 30 AFEERN C=C(C)CSC[C@@H](CC)OC 591385759 346814496 /nfs/dbraw/zinc/81/44/96/346814496.db2.gz CPBRNFKTSRZRCS-SECBINFHSA-N 0 0 174.309 2.721 10 30 AFEERN C=C(C)CSC1CC(OCC)C1 591385746 346814570 /nfs/dbraw/zinc/81/45/70/346814570.db2.gz ATGRZNCGFDYJCM-UHFFFAOYSA-N 0 0 186.320 2.863 10 30 AFEERN C=C(C)CSCc1cn(C)nc1C 591385762 346814583 /nfs/dbraw/zinc/81/45/83/346814583.db2.gz FSRXVVMKCVRSIN-UHFFFAOYSA-N 0 0 196.319 2.538 10 30 AFEERN C=C(C)CCSCCc1cn[nH]c1 591391808 346815120 /nfs/dbraw/zinc/81/51/20/346815120.db2.gz JCTHOBNSWAYVLB-UHFFFAOYSA-N 0 0 196.319 2.652 10 30 AFEERN C=C(C)CSC[C@@H](OC)C1CC1 591622847 346818170 /nfs/dbraw/zinc/81/81/70/346818170.db2.gz NYERQPFSUDZXSN-SNVBAGLBSA-N 0 0 186.320 2.721 10 30 AFEERN C=CCCSC[C@H](OC)C1CC1 591622471 346818283 /nfs/dbraw/zinc/81/82/83/346818283.db2.gz HYMUHKUMQLXEOK-JTQLQIEISA-N 0 0 186.320 2.721 10 30 AFEERN CC#CCCSC[C@H](OC)C1CC1 591625121 346818395 /nfs/dbraw/zinc/81/83/95/346818395.db2.gz WWSNXOITRILVRS-NSHDSACASA-N 0 0 198.331 2.558 10 30 AFEERN C=CCCSC[C@@H](OC)C1CC1 591622472 346818402 /nfs/dbraw/zinc/81/84/02/346818402.db2.gz HYMUHKUMQLXEOK-SNVBAGLBSA-N 0 0 186.320 2.721 10 30 AFEERN CC#CCCSC[C@@H](OC)C1CC1 591625116 346818420 /nfs/dbraw/zinc/81/84/20/346818420.db2.gz WWSNXOITRILVRS-LLVKDONJSA-N 0 0 198.331 2.558 10 30 AFEERN C=C(C)CSC[C@H](OC)C1CC1 591622846 346818440 /nfs/dbraw/zinc/81/84/40/346818440.db2.gz NYERQPFSUDZXSN-JTQLQIEISA-N 0 0 186.320 2.721 10 30 AFEERN C=C(C)C(C)(C)C(=O)OC(C)C 591830921 346823471 /nfs/dbraw/zinc/82/34/71/346823471.db2.gz HYYBBDCXCKMVTR-UHFFFAOYSA-N 0 0 170.252 2.540 10 30 AFEERN N#CCCSCC1=CCCC1 592355101 346829832 /nfs/dbraw/zinc/82/98/32/346829832.db2.gz DCMIYTOUFPJHHL-UHFFFAOYSA-N 0 0 167.277 2.744 10 30 AFEERN C=CCSCCC[C@@H]1CCOC1 592452060 346831137 /nfs/dbraw/zinc/83/11/37/346831137.db2.gz AQURIDRWCSLBPQ-SNVBAGLBSA-N 0 0 186.320 2.722 10 30 AFEERN C=CCSCCc1cccc(C)n1 592452142 346831331 /nfs/dbraw/zinc/83/13/31/346831331.db2.gz DDIACBPMLGYVOV-UHFFFAOYSA-N 0 0 193.315 2.852 10 30 AFEERN C=CCSCCC[C@H]1CCOC1 592452057 346831413 /nfs/dbraw/zinc/83/14/13/346831413.db2.gz AQURIDRWCSLBPQ-JTQLQIEISA-N 0 0 186.320 2.722 10 30 AFEERN CC#CCSCC1=CCCC1 592459412 346831816 /nfs/dbraw/zinc/83/18/16/346831816.db2.gz DOXVELPZAXNHFK-UHFFFAOYSA-N 0 0 166.289 2.853 10 30 AFEERN CC#CCSCCC[C@@H]1CCOC1 592457502 346831944 /nfs/dbraw/zinc/83/19/44/346831944.db2.gz GMCHALGDGPLCQW-LLVKDONJSA-N 0 0 198.331 2.560 10 30 AFEERN CC#CCSCCC[C@H]1CCOC1 592457503 346832013 /nfs/dbraw/zinc/83/20/13/346832013.db2.gz GMCHALGDGPLCQW-NSHDSACASA-N 0 0 198.331 2.560 10 30 AFEERN C=CCCC[C@@H](C)N1CC(C)(C#N)C1 593980410 346842999 /nfs/dbraw/zinc/84/29/99/346842999.db2.gz BVBJUEVRJBRZQV-LLVKDONJSA-N 0 0 192.306 2.577 10 30 AFEERN C=C(C)CCSCCC(C)(C)O 594457657 346849047 /nfs/dbraw/zinc/84/90/47/346849047.db2.gz CPAMVSHDVPCEGK-UHFFFAOYSA-N 0 0 188.336 2.847 10 30 AFEERN C=C(C)CSCc1coc(C)n1 594559862 346849451 /nfs/dbraw/zinc/84/94/51/346849451.db2.gz XRQLGOSDEDGNAM-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN CC#CCCSCc1coc(C)n1 594569668 346849490 /nfs/dbraw/zinc/84/94/90/346849490.db2.gz HPPOUNNKNNWZEW-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C=CCCSCc1coc(C)n1 594558562 346849547 /nfs/dbraw/zinc/84/95/47/346849547.db2.gz DOENRONOVQQRLU-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN Cc1nc(CSCCCC#N)co1 594569695 346849668 /nfs/dbraw/zinc/84/96/68/346849668.db2.gz LLCOHYHGNBPJSI-UHFFFAOYSA-N 0 0 196.275 2.520 10 30 AFEERN CCC(C)(C)CCn1cc(C#N)cn1 594898716 346854111 /nfs/dbraw/zinc/85/41/11/346854111.db2.gz FOKNOHAHDWNXBL-UHFFFAOYSA-N 0 0 191.278 2.581 10 30 AFEERN CC(C)(CC#N)CSCCC#N 594903393 346854629 /nfs/dbraw/zinc/85/46/29/346854629.db2.gz BHLIUQSHXVVSSC-UHFFFAOYSA-N 0 0 182.292 2.573 10 30 AFEERN N#CCCSCCC1CCC1 594903544 346854792 /nfs/dbraw/zinc/85/47/92/346854792.db2.gz HDOUJIRLXDWYTR-UHFFFAOYSA-N 0 0 169.293 2.823 10 30 AFEERN N#Cc1cnccc1SC1CCC1 594909341 346855178 /nfs/dbraw/zinc/85/51/78/346855178.db2.gz UHMYVHNCWFUIOA-UHFFFAOYSA-N 0 0 190.271 2.598 10 30 AFEERN CN(CC#N)C[C@H]1CCCCC1(C)C 595303750 346857980 /nfs/dbraw/zinc/85/79/80/346857980.db2.gz BCHYEHRNVAQSPR-LLVKDONJSA-N 0 0 194.322 2.658 10 30 AFEERN CN(CC#N)C[C@@H]1CCCCC1(C)C 595303751 346858060 /nfs/dbraw/zinc/85/80/60/346858060.db2.gz BCHYEHRNVAQSPR-NSHDSACASA-N 0 0 194.322 2.658 10 30 AFEERN C=CCSCc1cncs1 596337862 346875385 /nfs/dbraw/zinc/87/53/85/346875385.db2.gz CRHUVPXQRAEXNP-UHFFFAOYSA-N 0 0 171.290 2.562 10 30 AFEERN C=CCN(CCC#N)CCC=C(C)C 595499952 346859674 /nfs/dbraw/zinc/85/96/74/346859674.db2.gz BAGCANMGPQXUTM-UHFFFAOYSA-N 0 0 192.306 2.744 10 30 AFEERN N#CCN1CCCC2(CCCC2)CC1 595641403 346860914 /nfs/dbraw/zinc/86/09/14/346860914.db2.gz KZDQZAOYFAXIMX-UHFFFAOYSA-N 0 0 192.306 2.556 10 30 AFEERN C[C@@H](C#N)N(CC1CCCC1)C1CC1 595709487 346862700 /nfs/dbraw/zinc/86/27/00/346862700.db2.gz FZZDGALKMWCVON-JTQLQIEISA-N 0 0 192.306 2.553 10 30 AFEERN C[C@H](C#N)N(CC1CCCC1)C1CC1 595709490 346862726 /nfs/dbraw/zinc/86/27/26/346862726.db2.gz FZZDGALKMWCVON-SNVBAGLBSA-N 0 0 192.306 2.553 10 30 AFEERN CC(C)CCCN(C1CC1)[C@H](C)C#N 595709137 346862739 /nfs/dbraw/zinc/86/27/39/346862739.db2.gz DVQHOCDXJFLMFG-LLVKDONJSA-N 0 0 194.322 2.799 10 30 AFEERN CC(C)CCCN(C1CC1)[C@@H](C)C#N 595709376 346862758 /nfs/dbraw/zinc/86/27/58/346862758.db2.gz DVQHOCDXJFLMFG-NSHDSACASA-N 0 0 194.322 2.799 10 30 AFEERN CCN(CC1CCCCC1)[C@@H](C)C#N 595811543 346864370 /nfs/dbraw/zinc/86/43/70/346864370.db2.gz DLZLTLUYWOIDCO-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CCC(C)(C)C)[C@H](C)C#N 595811767 346864380 /nfs/dbraw/zinc/86/43/80/346864380.db2.gz AJWLGHUZEJRHHF-SNVBAGLBSA-N 0 0 182.311 2.657 10 30 AFEERN CCN(CCC(C)(C)C)[C@@H](C)C#N 595811766 346864529 /nfs/dbraw/zinc/86/45/29/346864529.db2.gz AJWLGHUZEJRHHF-JTQLQIEISA-N 0 0 182.311 2.657 10 30 AFEERN CCN(CC1CCCCC1)[C@H](C)C#N 595811542 346864589 /nfs/dbraw/zinc/86/45/89/346864589.db2.gz DLZLTLUYWOIDCO-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CCC=C(C)C)[C@H](C)C#N 595817130 346865380 /nfs/dbraw/zinc/86/53/80/346865380.db2.gz GVOMZZNXBVWDAE-LLVKDONJSA-N 0 0 180.295 2.577 10 30 AFEERN CCN(CCCC1CCC1)[C@H](C)C#N 595817205 346865467 /nfs/dbraw/zinc/86/54/67/346865467.db2.gz IBISNGWZNYGJPT-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN CCN(CCC=C(C)C)[C@@H](C)C#N 595817131 346865495 /nfs/dbraw/zinc/86/54/95/346865495.db2.gz GVOMZZNXBVWDAE-NSHDSACASA-N 0 0 180.295 2.577 10 30 AFEERN CCC(CC)CCCN(C)CC#N 595829058 346866299 /nfs/dbraw/zinc/86/62/99/346866299.db2.gz GYMQZCKBVNZLDU-UHFFFAOYSA-N 0 0 182.311 2.658 10 30 AFEERN CCCCC[C@H]1CCCCN1CC#N 595870645 346869887 /nfs/dbraw/zinc/86/98/87/346869887.db2.gz IGSMDFMKGFVDMO-LBPRGKRZSA-N 0 0 194.322 2.945 10 30 AFEERN N#CCN1CCCC[C@@H]1CC1CCC1 595868053 346869989 /nfs/dbraw/zinc/86/99/89/346869989.db2.gz RDRUGHQLYLEBCF-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN CCCCC[C@@H]1CCCCN1CC#N 595870644 346870215 /nfs/dbraw/zinc/87/02/15/346870215.db2.gz IGSMDFMKGFVDMO-GFCCVEGCSA-N 0 0 194.322 2.945 10 30 AFEERN C=CCSCC[C@H]1CCCCO1 596338407 346875381 /nfs/dbraw/zinc/87/53/81/346875381.db2.gz PHLZHRVCRUFAKU-SNVBAGLBSA-N 0 0 186.320 2.865 10 30 AFEERN C=CCSC[C@H](OC)C1CCC1 596338662 346875481 /nfs/dbraw/zinc/87/54/81/346875481.db2.gz XCMYOQUFJHGBJP-JTQLQIEISA-N 0 0 186.320 2.721 10 30 AFEERN C=CCSCc1cc(C)nc(C)n1 596337904 346875517 /nfs/dbraw/zinc/87/55/17/346875517.db2.gz FDBNSPUPDULCCE-UHFFFAOYSA-N 0 0 194.303 2.513 10 30 AFEERN C=CCSCC[C@@H]1CCCCO1 596338406 346875525 /nfs/dbraw/zinc/87/55/25/346875525.db2.gz PHLZHRVCRUFAKU-JTQLQIEISA-N 0 0 186.320 2.865 10 30 AFEERN C=CCSC[C@@H](OC)C1CCC1 596338663 346875630 /nfs/dbraw/zinc/87/56/30/346875630.db2.gz XCMYOQUFJHGBJP-SNVBAGLBSA-N 0 0 186.320 2.721 10 30 AFEERN C=CCSC[C@H]1C[C@@H]2C[C@@H]2C1 596337998 346875664 /nfs/dbraw/zinc/87/56/64/346875664.db2.gz HWOJJDWGNWGTJY-ILWJIGKKSA-N 0 0 168.305 2.952 10 30 AFEERN C=CCCSCC1(CC#N)CC1 596341361 346875993 /nfs/dbraw/zinc/87/59/93/346875993.db2.gz DEHXRZZOWCJFLG-UHFFFAOYSA-N 0 0 181.304 2.990 10 30 AFEERN C=C(C)CS[C@@H]1COC(C)(C)C1 596347682 346876001 /nfs/dbraw/zinc/87/60/01/346876001.db2.gz NNKSFQDWALBKDV-VIFPVBQESA-N 0 0 186.320 2.863 10 30 AFEERN C=C(C)CS[C@H]1COC(C)(C)C1 596347681 346876010 /nfs/dbraw/zinc/87/60/10/346876010.db2.gz NNKSFQDWALBKDV-SECBINFHSA-N 0 0 186.320 2.863 10 30 AFEERN C=C(C)CSCC1(CC#N)CC1 596345958 346876026 /nfs/dbraw/zinc/87/60/26/346876026.db2.gz DKTIMKVRMKOTRU-UHFFFAOYSA-N 0 0 181.304 2.990 10 30 AFEERN C=C(C)CSCc1cncs1 596345265 346876058 /nfs/dbraw/zinc/87/60/58/346876058.db2.gz BAWVWWYVXWHZFT-UHFFFAOYSA-N 0 0 185.317 2.952 10 30 AFEERN C=CCCS[C@H]1COC(C)(C)C1 596343965 346876078 /nfs/dbraw/zinc/87/60/78/346876078.db2.gz ZAFHSMCAEWKEHK-SECBINFHSA-N 0 0 186.320 2.863 10 30 AFEERN C=CCCSCc1cncs1 596341693 346876107 /nfs/dbraw/zinc/87/61/07/346876107.db2.gz FXJSQGSCPCDIHS-UHFFFAOYSA-N 0 0 185.317 2.952 10 30 AFEERN C=CCCS[C@@H]1COC(C)(C)C1 596343966 346876163 /nfs/dbraw/zinc/87/61/63/346876163.db2.gz ZAFHSMCAEWKEHK-VIFPVBQESA-N 0 0 186.320 2.863 10 30 AFEERN C=C(C)CCSCC1(C)COC1 596361053 346876897 /nfs/dbraw/zinc/87/68/97/346876897.db2.gz OXNPGZCKFDANRD-UHFFFAOYSA-N 0 0 186.320 2.722 10 30 AFEERN CC#CCSCC[C@H]1CCCCO1 596389785 346877260 /nfs/dbraw/zinc/87/72/60/346877260.db2.gz INDGTXALJWWNTI-LLVKDONJSA-N 0 0 198.331 2.702 10 30 AFEERN CC#CCSCC[C@@H]1CCCCO1 596389786 346877459 /nfs/dbraw/zinc/87/74/59/346877459.db2.gz INDGTXALJWWNTI-NSHDSACASA-N 0 0 198.331 2.702 10 30 AFEERN CC#CCSC[C@@H](OC)C1CCC1 596416790 346877983 /nfs/dbraw/zinc/87/79/83/346877983.db2.gz DDXQIRJVXKGKQA-LLVKDONJSA-N 0 0 198.331 2.558 10 30 AFEERN CC#CCSC[C@H]1C[C@@H]2C[C@@H]2C1 596430061 346878019 /nfs/dbraw/zinc/87/80/19/346878019.db2.gz ULMBWFVYZKEBNT-JGPRNRPPSA-N 0 0 180.316 2.789 10 30 AFEERN CC#CCSC[C@H](OC)C1CCC1 596416791 346878042 /nfs/dbraw/zinc/87/80/42/346878042.db2.gz DDXQIRJVXKGKQA-NSHDSACASA-N 0 0 198.331 2.558 10 30 AFEERN CC12CC(CN1c1ccc(C#N)cc1)C2 596573947 346878825 /nfs/dbraw/zinc/87/88/25/346878825.db2.gz BCWPYDMSNNJPHX-UHFFFAOYSA-N 0 0 198.269 2.547 10 30 AFEERN N#CCSC[C@@H]1CC[C@H]2C[C@H]2C1 598717119 346899654 /nfs/dbraw/zinc/89/96/54/346899654.db2.gz LYPSUBVIRRGPTL-KXUCPTDWSA-N 0 0 181.304 2.679 10 30 AFEERN N#CCSC[C@@H]1CC[C@@H]2C[C@@H]2C1 598717118 346899670 /nfs/dbraw/zinc/89/96/70/346899670.db2.gz LYPSUBVIRRGPTL-BBBLOLIVSA-N 0 0 181.304 2.679 10 30 AFEERN C=CCSCc1ccc(OC)nc1 598731676 346899694 /nfs/dbraw/zinc/89/96/94/346899694.db2.gz LJRMNVMBPMRMLS-UHFFFAOYSA-N 0 0 195.287 2.509 10 30 AFEERN CCC[C@H](C)CCCN(C)CC#N 599281421 346902656 /nfs/dbraw/zinc/90/26/56/346902656.db2.gz SXPXSKYIEYLGSG-NSHDSACASA-N 0 0 182.311 2.658 10 30 AFEERN CCC[C@@H](C)CCCN(C)CC#N 599281420 346902751 /nfs/dbraw/zinc/90/27/51/346902751.db2.gz SXPXSKYIEYLGSG-LLVKDONJSA-N 0 0 182.311 2.658 10 30 AFEERN CCN(CC1CC(C)(C)C1)[C@@H](C)C#N 599474699 346903450 /nfs/dbraw/zinc/90/34/50/346903450.db2.gz BLXRYQWXRDPVBK-JTQLQIEISA-N 0 0 194.322 2.657 10 30 AFEERN CCN(CC1CC(C)(C)C1)[C@H](C)C#N 599474700 346903991 /nfs/dbraw/zinc/90/39/91/346903991.db2.gz BLXRYQWXRDPVBK-SNVBAGLBSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@H]1C[C@H]1COc1cccc(C#N)c1 600509336 346908328 /nfs/dbraw/zinc/90/83/28/346908328.db2.gz HVECRQFNHDOBFJ-ONGXEEELSA-N 0 0 187.242 2.593 10 30 AFEERN C[C@@H]1C[C@@H]1COc1cccc(C#N)c1 600509335 346908407 /nfs/dbraw/zinc/90/84/07/346908407.db2.gz HVECRQFNHDOBFJ-MWLCHTKSSA-N 0 0 187.242 2.593 10 30 AFEERN C[C@@H]1C[C@H]1COc1cccc(C#N)c1 600509334 346908592 /nfs/dbraw/zinc/90/85/92/346908592.db2.gz HVECRQFNHDOBFJ-KOLCDFICSA-N 0 0 187.242 2.593 10 30 AFEERN C[C@H]1C[C@@H]1COc1cccc(C#N)c1 600509327 346908605 /nfs/dbraw/zinc/90/86/05/346908605.db2.gz HVECRQFNHDOBFJ-GXSJLCMTSA-N 0 0 187.242 2.593 10 30 AFEERN Cc1cnccc1CSCCC#N 600553858 346910422 /nfs/dbraw/zinc/91/04/22/346910422.db2.gz APXUWFHWIZFGIM-UHFFFAOYSA-N 0 0 192.287 2.537 10 30 AFEERN CC1(C)C[C@@H](SCCCC#N)CO1 600568116 346910668 /nfs/dbraw/zinc/91/06/68/346910668.db2.gz HZRCHCTVLMTDOB-SECBINFHSA-N 0 0 199.319 2.591 10 30 AFEERN CC[C@H](C#N)SCc1ccccn1 600573692 346910674 /nfs/dbraw/zinc/91/06/74/346910674.db2.gz FIQYMPORZRNOTH-SNVBAGLBSA-N 0 0 192.287 2.617 10 30 AFEERN CC[C@@H](C#N)SCc1ccccn1 600573691 346910700 /nfs/dbraw/zinc/91/07/00/346910700.db2.gz FIQYMPORZRNOTH-JTQLQIEISA-N 0 0 192.287 2.617 10 30 AFEERN CC[C@H](C#N)S[C@H]1COC(C)(C)C1 600574281 346910753 /nfs/dbraw/zinc/91/07/53/346910753.db2.gz VDXDJXWURKENAU-RKDXNWHRSA-N 0 0 199.319 2.589 10 30 AFEERN CC#CCCS[C@H]1COC(C)(C)C1 600573725 346910800 /nfs/dbraw/zinc/91/08/00/346910800.db2.gz SPIKTVGMTJIZHQ-SNVBAGLBSA-N 0 0 198.331 2.701 10 30 AFEERN CC#CCCS[C@@H]1COC(C)(C)C1 600573724 346910825 /nfs/dbraw/zinc/91/08/25/346910825.db2.gz SPIKTVGMTJIZHQ-JTQLQIEISA-N 0 0 198.331 2.701 10 30 AFEERN CC[C@@H](C#N)S[C@@H]1COC(C)(C)C1 600574280 346910865 /nfs/dbraw/zinc/91/08/65/346910865.db2.gz VDXDJXWURKENAU-IUCAKERBSA-N 0 0 199.319 2.589 10 30 AFEERN CC1(C)C[C@H](SCCCC#N)CO1 600568521 346910886 /nfs/dbraw/zinc/91/08/86/346910886.db2.gz HZRCHCTVLMTDOB-VIFPVBQESA-N 0 0 199.319 2.591 10 30 AFEERN CC[C@H](C#N)S[C@@H]1COC(C)(C)C1 600574267 346911048 /nfs/dbraw/zinc/91/10/48/346911048.db2.gz VDXDJXWURKENAU-BDAKNGLRSA-N 0 0 199.319 2.589 10 30 AFEERN CC[C@@H](C#N)S[C@H]1COC(C)(C)C1 600574272 346911059 /nfs/dbraw/zinc/91/10/59/346911059.db2.gz VDXDJXWURKENAU-DTWKUNHWSA-N 0 0 199.319 2.589 10 30 AFEERN C[C@@H](C#N)SC[C@H]1C[C@@H]2C[C@@H]2C1 600576577 346911596 /nfs/dbraw/zinc/91/15/96/346911596.db2.gz CREIFTCASDUQFH-QEYWKRMJSA-N 0 0 181.304 2.678 10 30 AFEERN C[C@H](C#N)SC[C@H]1C[C@@H]2C[C@@H]2C1 600576568 346911635 /nfs/dbraw/zinc/91/16/35/346911635.db2.gz CREIFTCASDUQFH-DOLQZWNJSA-N 0 0 181.304 2.678 10 30 AFEERN C=CCSC[C@@H]1C[C@H]1C 600620838 346912000 /nfs/dbraw/zinc/91/20/00/346912000.db2.gz JETSWQQIPTXYAE-SFYZADRCSA-N 0 0 142.267 2.562 10 30 AFEERN C=CCCSC[C@H]1C[C@@H]1C 600621702 346912146 /nfs/dbraw/zinc/91/21/46/346912146.db2.gz BWQMUUMLTCLYLU-DTWKUNHWSA-N 0 0 156.294 2.952 10 30 AFEERN C=CCSC[C@H](OCC)C1CC1 600619795 346912162 /nfs/dbraw/zinc/91/21/62/346912162.db2.gz CQUSLGJLFPIHNV-JTQLQIEISA-N 0 0 186.320 2.721 10 30 AFEERN C=CCSC[C@H]1C[C@@H]1C 600620837 346912171 /nfs/dbraw/zinc/91/21/71/346912171.db2.gz JETSWQQIPTXYAE-JGVFFNPUSA-N 0 0 142.267 2.562 10 30 AFEERN C=CCSC[C@@H](OCC)C1CC1 600619796 346912241 /nfs/dbraw/zinc/91/22/41/346912241.db2.gz CQUSLGJLFPIHNV-SNVBAGLBSA-N 0 0 186.320 2.721 10 30 AFEERN C=CCCSC[C@@H]1C[C@@H]1C 600621703 346912314 /nfs/dbraw/zinc/91/23/14/346912314.db2.gz BWQMUUMLTCLYLU-IUCAKERBSA-N 0 0 156.294 2.952 10 30 AFEERN C=CCCSC[C@H]1C[C@H]1C 600621704 346912396 /nfs/dbraw/zinc/91/23/96/346912396.db2.gz BWQMUUMLTCLYLU-RKDXNWHRSA-N 0 0 156.294 2.952 10 30 AFEERN C=CCCSC[C@@H]1C[C@H]1C 600621686 346912439 /nfs/dbraw/zinc/91/24/39/346912439.db2.gz BWQMUUMLTCLYLU-BDAKNGLRSA-N 0 0 156.294 2.952 10 30 AFEERN C=CCSC[C@@H]1C[C@@H]1C 600620839 346912441 /nfs/dbraw/zinc/91/24/41/346912441.db2.gz JETSWQQIPTXYAE-YUMQZZPRSA-N 0 0 142.267 2.562 10 30 AFEERN C=CCSC[C@H]1C[C@H]1C 600620833 346912462 /nfs/dbraw/zinc/91/24/62/346912462.db2.gz JETSWQQIPTXYAE-HTQZYQBOSA-N 0 0 142.267 2.562 10 30 AFEERN C=C(C)CSC[C@@H]1C[C@H]1C 600624492 346912718 /nfs/dbraw/zinc/91/27/18/346912718.db2.gz ZGAGYBFQMMRTIF-BDAKNGLRSA-N 0 0 156.294 2.952 10 30 AFEERN C=C(C)CSC[C@H]1C[C@@H]1C 600624493 346912829 /nfs/dbraw/zinc/91/28/29/346912829.db2.gz ZGAGYBFQMMRTIF-DTWKUNHWSA-N 0 0 156.294 2.952 10 30 AFEERN C=C(C)CSC[C@H]1C[C@H]1C 600624495 346913015 /nfs/dbraw/zinc/91/30/15/346913015.db2.gz ZGAGYBFQMMRTIF-RKDXNWHRSA-N 0 0 156.294 2.952 10 30 AFEERN C=C(C)CSC[C@@H]1C[C@@H]1C 600624494 346913061 /nfs/dbraw/zinc/91/30/61/346913061.db2.gz ZGAGYBFQMMRTIF-IUCAKERBSA-N 0 0 156.294 2.952 10 30 AFEERN CC#CCSC[C@@H](OCC)C1CC1 600636791 346913534 /nfs/dbraw/zinc/91/35/34/346913534.db2.gz HZYWOOHSNAFEKC-LLVKDONJSA-N 0 0 198.331 2.558 10 30 AFEERN CC#CCSC[C@H](OCC)C1CC1 600636792 346913579 /nfs/dbraw/zinc/91/35/79/346913579.db2.gz HZYWOOHSNAFEKC-NSHDSACASA-N 0 0 198.331 2.558 10 30 AFEERN C=C(C)CCSC1CC(OC)C1 600632961 346913621 /nfs/dbraw/zinc/91/36/21/346913621.db2.gz ZWFUJRXUFCVDCC-UHFFFAOYSA-N 0 0 186.320 2.863 10 30 AFEERN C[C@H]1C[C@@H]1CSCCCC#N 600647815 346914173 /nfs/dbraw/zinc/91/41/73/346914173.db2.gz QQHCTTZVBYHXFD-DTWKUNHWSA-N 0 0 169.293 2.679 10 30 AFEERN C[C@@H]1C[C@@H]1CSCCCC#N 600647817 346914096 /nfs/dbraw/zinc/91/40/96/346914096.db2.gz QQHCTTZVBYHXFD-RKDXNWHRSA-N 0 0 169.293 2.679 10 30 AFEERN CC#CCCSC[C@@H]1C[C@H]1C 600644353 346914120 /nfs/dbraw/zinc/91/41/20/346914120.db2.gz GGJGZQAYPYOXFV-ZJUUUORDSA-N 0 0 168.305 2.789 10 30 AFEERN C[C@H]1C[C@H]1CSCCCC#N 600647816 346914153 /nfs/dbraw/zinc/91/41/53/346914153.db2.gz QQHCTTZVBYHXFD-IUCAKERBSA-N 0 0 169.293 2.679 10 30 AFEERN C[C@@H]1C[C@H]1CSCC1(C#N)CC1 600647866 346914160 /nfs/dbraw/zinc/91/41/60/346914160.db2.gz RGUHSGPGMIZCSQ-BDAKNGLRSA-N 0 0 181.304 2.679 10 30 AFEERN CC#CCCSC[C@H]1C[C@H]1C 600644350 346914185 /nfs/dbraw/zinc/91/41/85/346914185.db2.gz GGJGZQAYPYOXFV-NXEZZACHSA-N 0 0 168.305 2.789 10 30 AFEERN C[C@H]1C[C@H]1CSCC1(C#N)CC1 600647868 346914202 /nfs/dbraw/zinc/91/42/02/346914202.db2.gz RGUHSGPGMIZCSQ-IUCAKERBSA-N 0 0 181.304 2.679 10 30 AFEERN C[C@@H]1C[C@H]1CSCCCC#N 600647814 346914267 /nfs/dbraw/zinc/91/42/67/346914267.db2.gz QQHCTTZVBYHXFD-BDAKNGLRSA-N 0 0 169.293 2.679 10 30 AFEERN C[C@H]1C[C@@H]1CSCC1(C#N)CC1 600647867 346914300 /nfs/dbraw/zinc/91/43/00/346914300.db2.gz RGUHSGPGMIZCSQ-DTWKUNHWSA-N 0 0 181.304 2.679 10 30 AFEERN C[C@@H]1C[C@@H]1CSCC1(C#N)CC1 600647869 346914409 /nfs/dbraw/zinc/91/44/09/346914409.db2.gz RGUHSGPGMIZCSQ-RKDXNWHRSA-N 0 0 181.304 2.679 10 30 AFEERN CC#CCCSC[C@H]1C[C@@H]1C 600644352 346914351 /nfs/dbraw/zinc/91/43/51/346914351.db2.gz GGJGZQAYPYOXFV-VHSXEESVSA-N 0 0 168.305 2.789 10 30 AFEERN CC#CCCSC[C@@H]1C[C@@H]1C 600644351 346914401 /nfs/dbraw/zinc/91/44/01/346914401.db2.gz GGJGZQAYPYOXFV-UWVGGRQHSA-N 0 0 168.305 2.789 10 30 AFEERN C=CCN1CCc2cccc(CC)c21 600738662 346916670 /nfs/dbraw/zinc/91/66/70/346916670.db2.gz FBCTUMMDJMLECW-UHFFFAOYSA-N 0 0 187.286 2.798 10 30 AFEERN C=C(C)CSC[C@@H]1CCO[C@H]1C 601049885 346919887 /nfs/dbraw/zinc/91/98/87/346919887.db2.gz AGSJGLGBKHKXHL-UWVGGRQHSA-N 0 0 186.320 2.721 10 30 AFEERN C=C(C)CSC[C@@H]1CCO[C@@H]1C 601049887 346920089 /nfs/dbraw/zinc/92/00/89/346920089.db2.gz AGSJGLGBKHKXHL-ZJUUUORDSA-N 0 0 186.320 2.721 10 30 AFEERN C=CCSC[C@H]1CC(C)(C)CO1 601049396 346920135 /nfs/dbraw/zinc/92/01/35/346920135.db2.gz AYSWBBOATUJZCG-SECBINFHSA-N 0 0 186.320 2.721 10 30 AFEERN C=CCSC[C@@H]1CC(C)(C)CO1 601049397 346920199 /nfs/dbraw/zinc/92/01/99/346920199.db2.gz AYSWBBOATUJZCG-VIFPVBQESA-N 0 0 186.320 2.721 10 30 AFEERN C=C(C)CSC[C@H]1CCO[C@@H]1C 601049884 346920266 /nfs/dbraw/zinc/92/02/66/346920266.db2.gz AGSJGLGBKHKXHL-NXEZZACHSA-N 0 0 186.320 2.721 10 30 AFEERN C=C(C)CSC[C@H]1CCO[C@H]1C 601049886 346920298 /nfs/dbraw/zinc/92/02/98/346920298.db2.gz AGSJGLGBKHKXHL-VHSXEESVSA-N 0 0 186.320 2.721 10 30 AFEERN N#C[C@H](SC1CCCC1)C1CC1 601068518 346920650 /nfs/dbraw/zinc/92/06/50/346920650.db2.gz GEWNNNAHSDUGLI-JTQLQIEISA-N 0 0 181.304 2.964 10 30 AFEERN N#C[C@@H](SC1CCCC1)C1CC1 601068519 346920839 /nfs/dbraw/zinc/92/08/39/346920839.db2.gz GEWNNNAHSDUGLI-SNVBAGLBSA-N 0 0 181.304 2.964 10 30 AFEERN C=CCN(CC1CCCCC1)C(C)=O 601690667 346924474 /nfs/dbraw/zinc/92/44/74/346924474.db2.gz GXOTZXZSKPDNQU-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCN(CC(C)C)CC(F)(F)F 602238693 346929624 /nfs/dbraw/zinc/92/96/24/346929624.db2.gz CDMDDIZDKYFGIP-UHFFFAOYSA-N 0 0 195.228 2.693 10 30 AFEERN CCCCC1CC(C#N)C1 606302744 346977561 /nfs/dbraw/zinc/97/75/61/346977561.db2.gz UITXETSPOOSSNK-UHFFFAOYSA-N 0 0 137.226 2.726 10 30 AFEERN C=CCCC(=O)N[C@@H](C)C1CCCC1 603671556 346957541 /nfs/dbraw/zinc/95/75/41/346957541.db2.gz FKFXOENYRGAYDO-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCC(=O)N[C@H](C)C1CCCC1 603671557 346957654 /nfs/dbraw/zinc/95/76/54/346957654.db2.gz FKFXOENYRGAYDO-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCCOc1nc(C(C)C)no1 605077393 346967503 /nfs/dbraw/zinc/96/75/03/346967503.db2.gz AVVCGXLHCNNLGA-UHFFFAOYSA-N 0 0 196.250 2.538 10 30 AFEERN C=CCCCN(C)C(=O)CCC1CC1 605645371 346972418 /nfs/dbraw/zinc/97/24/18/346972418.db2.gz JSXXBFUBPZJNOV-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCCN(C)C(=O)C(C)(C)CC 605644982 346972428 /nfs/dbraw/zinc/97/24/28/346972428.db2.gz DMZKPIFHDAQHGX-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(C)C(=O)[C@@H](C)C(C)C 605645375 346972530 /nfs/dbraw/zinc/97/25/30/346972530.db2.gz KKJPJOPHMFWYPH-NSHDSACASA-N 0 0 197.322 2.703 10 30 AFEERN C=CCCCN(C)C(=O)[C@H](C)C(C)C 605645374 346972630 /nfs/dbraw/zinc/97/26/30/346972630.db2.gz KKJPJOPHMFWYPH-LLVKDONJSA-N 0 0 197.322 2.703 10 30 AFEERN C=CCCCN(C)C(=O)C(CC)CC 605645290 346972651 /nfs/dbraw/zinc/97/26/51/346972651.db2.gz SKZRVFUUVBXYTH-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(C)C(=O)CCCCC 605645292 346972768 /nfs/dbraw/zinc/97/27/68/346972768.db2.gz SYUFVUKHMQXCGI-UHFFFAOYSA-N 0 0 197.322 2.991 10 30 AFEERN C=CCCCN(C)C(=O)CC(C)(C)C 605646680 346972847 /nfs/dbraw/zinc/97/28/47/346972847.db2.gz SDDZNADERBLTSE-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(C)C(=O)[C@@H](C)CCC 605644963 346972884 /nfs/dbraw/zinc/97/28/84/346972884.db2.gz AHTYVEXVQXJZGF-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(C)C(=O)CCC(C)C 605645095 346972887 /nfs/dbraw/zinc/97/28/87/346972887.db2.gz BHGUSZXWOVLXOL-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(C)C(=O)[C@H](C)CCC 605644962 346972903 /nfs/dbraw/zinc/97/29/03/346972903.db2.gz AHTYVEXVQXJZGF-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(C)C(=O)C1CCCC1 605645341 346973025 /nfs/dbraw/zinc/97/30/25/346973025.db2.gz CGKFZGNJXPLXEJ-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN N#CC1CC(Cc2ccccc2)C1 606302234 346976912 /nfs/dbraw/zinc/97/69/12/346976912.db2.gz JDYHZIFITARMQZ-UHFFFAOYSA-N 0 0 171.243 2.779 10 30 AFEERN N#CC1CC(Cc2ccccc2F)C1 606302178 346977098 /nfs/dbraw/zinc/97/70/98/346977098.db2.gz GKCSBEBREFBVBT-UHFFFAOYSA-N 0 0 189.233 2.918 10 30 AFEERN Cc1ccc(CC2CC(C=O)C2)cc1 606302130 346977106 /nfs/dbraw/zinc/97/71/06/346977106.db2.gz CZHYFUWVDLCFFC-UHFFFAOYSA-N 0 0 188.270 2.763 10 30 AFEERN O=CC1CC(Cc2cccc(F)c2)C1 606302199 346977126 /nfs/dbraw/zinc/97/71/26/346977126.db2.gz HWJIKPCQVLXVAO-UHFFFAOYSA-N 0 0 192.233 2.593 10 30 AFEERN N#CC1CC(Cc2cccc(F)c2)C1 606302236 346977131 /nfs/dbraw/zinc/97/71/31/346977131.db2.gz JFGJXVAJFSZHKM-UHFFFAOYSA-N 0 0 189.233 2.918 10 30 AFEERN N#CC1CC(Cc2ccc(F)cc2)C1 606302517 346977586 /nfs/dbraw/zinc/97/75/86/346977586.db2.gz OBUUSJOJCCTUEU-UHFFFAOYSA-N 0 0 189.233 2.918 10 30 AFEERN O=CC1CC(Cc2ccccc2F)C1 606302580 346977656 /nfs/dbraw/zinc/97/76/56/346977656.db2.gz QRBBOFBTPZOELA-UHFFFAOYSA-N 0 0 192.233 2.593 10 30 AFEERN Cc1cccc(CC2CC(C=O)C2)c1 606302654 346977740 /nfs/dbraw/zinc/97/77/40/346977740.db2.gz RJFPWCYMIGNLPO-UHFFFAOYSA-N 0 0 188.270 2.763 10 30 AFEERN O=CC1CC(Cc2ccc(F)cc2)C1 606302808 346978031 /nfs/dbraw/zinc/97/80/31/346978031.db2.gz XTLFMYUXJGMQKR-UHFFFAOYSA-N 0 0 192.233 2.593 10 30 AFEERN CC(C)CC1CC(C(=O)CC#N)C1 606303032 346978065 /nfs/dbraw/zinc/97/80/65/346978065.db2.gz MNFYEHFWCMUGGM-UHFFFAOYSA-N 0 0 179.263 2.541 10 30 AFEERN CCCCC1CC(C(=O)CC#N)C1 606303904 346979855 /nfs/dbraw/zinc/97/98/55/346979855.db2.gz YHLWXBGWBXNRMG-UHFFFAOYSA-N 0 0 179.263 2.686 10 30 AFEERN N#C[C@@H]1C[C@H](F)C[C@H](C(F)(F)F)C1 606304146 346980575 /nfs/dbraw/zinc/98/05/75/346980575.db2.gz QDARBLOGLOSKEM-XVMARJQXSA-N 0 0 195.159 2.827 10 30 AFEERN N#C[C@H]1C[C@H](C(F)(F)F)C[C@H](F)C1 606304144 346980504 /nfs/dbraw/zinc/98/05/04/346980504.db2.gz QDARBLOGLOSKEM-LYFYHCNISA-N 0 0 195.159 2.827 10 30 AFEERN N#C[C@@H]1C[C@H](F)C[C@@H](C(F)(F)F)C1 606304143 346980518 /nfs/dbraw/zinc/98/05/18/346980518.db2.gz QDARBLOGLOSKEM-ACZMJKKPSA-N 0 0 195.159 2.827 10 30 AFEERN N#C[C@@H]1C[C@@H](F)C[C@H](C(F)(F)F)C1 606304145 346980621 /nfs/dbraw/zinc/98/06/21/346980621.db2.gz QDARBLOGLOSKEM-RRKCRQDMSA-N 0 0 195.159 2.827 10 30 AFEERN C=CCCN(C)c1ccccc1OC 606895846 346984751 /nfs/dbraw/zinc/98/47/51/346984751.db2.gz ABMGEPQSFQENKQ-UHFFFAOYSA-N 0 0 191.274 2.708 10 30 AFEERN C=CCCN(C)c1ccc(F)c(F)c1 606896994 346985251 /nfs/dbraw/zinc/98/52/51/346985251.db2.gz AVRKPLVMNCNZEA-UHFFFAOYSA-N 0 0 197.228 2.977 10 30 AFEERN C=CCCN1CCc2ccc(C)cc21 606897266 346985268 /nfs/dbraw/zinc/98/52/68/346985268.db2.gz AKHWDCIKVBAVGT-UHFFFAOYSA-N 0 0 187.286 2.934 10 30 AFEERN C=CCN1CC2(CC2)c2ccccc21 606898783 346986588 /nfs/dbraw/zinc/98/65/88/346986588.db2.gz WKXZJRLEKXPRBI-UHFFFAOYSA-N 0 0 185.270 2.724 10 30 AFEERN CC#CCN(C)c1cc(C)cc(C)c1 607724112 346991652 /nfs/dbraw/zinc/99/16/52/346991652.db2.gz CVMHSUILGWINHY-UHFFFAOYSA-N 0 0 187.286 2.763 10 30 AFEERN CC#CCN(CC)c1ccc(F)cc1 607724110 346991766 /nfs/dbraw/zinc/99/17/66/346991766.db2.gz BSEMKOPAQZRSCW-UHFFFAOYSA-N 0 0 191.249 2.675 10 30 AFEERN CC#CCN(c1ccccc1)C(C)C 607727324 346993009 /nfs/dbraw/zinc/99/30/09/346993009.db2.gz CIQGLBPIKCVRMO-UHFFFAOYSA-N 0 0 187.286 2.925 10 30 AFEERN C=C(C)CN(CC)C(=O)CC1CCC1 608110565 346999826 /nfs/dbraw/zinc/99/98/26/346999826.db2.gz AUYCYCRWLZGMIE-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCCN(C)C(=O)CC1CCC1 608138543 347000350 /nfs/dbraw/zinc/00/03/50/347000350.db2.gz ILVIXLSJVBWOSC-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN N#CCN(CC1CC1)C1CCCCC1 609040598 347016063 /nfs/dbraw/zinc/01/60/63/347016063.db2.gz CFMZEJBYKOPQQM-UHFFFAOYSA-N 0 0 192.306 2.555 10 30 AFEERN C=CCN(CC#N)CC1CCCCC1 609564265 347019174 /nfs/dbraw/zinc/01/91/74/347019174.db2.gz CSMPZYLAFMECJI-UHFFFAOYSA-N 0 0 192.306 2.578 10 30 AFEERN C=CCCCN(C#N)c1ccccc1 610651804 347028374 /nfs/dbraw/zinc/02/83/74/347028374.db2.gz GBSPWQQRYPKRRG-UHFFFAOYSA-N 0 0 186.258 2.940 10 30 AFEERN Cc1cn(Cc2ccccc2)cc1C#N 610725476 347029763 /nfs/dbraw/zinc/02/97/63/347029763.db2.gz TWGPMYUMZVXTEN-UHFFFAOYSA-N 0 0 196.253 2.717 10 30 AFEERN CC(C)=CCN(C[C@@H](C)C#N)C1CC1 611091540 347034849 /nfs/dbraw/zinc/03/48/49/347034849.db2.gz SSWXYNYGUFTTGI-NSHDSACASA-N 0 0 192.306 2.577 10 30 AFEERN C=C(CC)CN(C[C@H](C)C#N)C1CC1 611347548 347037832 /nfs/dbraw/zinc/03/78/32/347037832.db2.gz DLXHPMJRVJFSSP-LLVKDONJSA-N 0 0 192.306 2.577 10 30 AFEERN CCC(C)(C)CCn1ccnc1C#N 611290836 347036888 /nfs/dbraw/zinc/03/68/88/347036888.db2.gz YRUHMGDXVKGMBS-UHFFFAOYSA-N 0 0 191.278 2.581 10 30 AFEERN CC(C)(C)CN(CC#N)CC(C)(C)C 611407125 347037825 /nfs/dbraw/zinc/03/78/25/347037825.db2.gz BJGZBLQSDUVZRX-UHFFFAOYSA-N 0 0 196.338 2.904 10 30 AFEERN C=C(CC)CN(C[C@@H](C)C#N)C1CC1 611347562 347037885 /nfs/dbraw/zinc/03/78/85/347037885.db2.gz DLXHPMJRVJFSSP-NSHDSACASA-N 0 0 192.306 2.577 10 30 AFEERN CC(C)=CCN1CCC[C@@](C)(C#N)C1 612166128 347046094 /nfs/dbraw/zinc/04/60/94/347046094.db2.gz ASRAMSUJBUFWMC-LBPRGKRZSA-N 0 0 192.306 2.578 10 30 AFEERN CCN(CC#N)C[C@H]1CCCC[C@H]1C 612399045 347048146 /nfs/dbraw/zinc/04/81/46/347048146.db2.gz BNKFQJPOKZTCSR-VXGBXAGGSA-N 0 0 194.322 2.658 10 30 AFEERN CCN(CC#N)C[C@H]1CCCC[C@@H]1C 612399043 347048167 /nfs/dbraw/zinc/04/81/67/347048167.db2.gz BNKFQJPOKZTCSR-NWDGAFQWSA-N 0 0 194.322 2.658 10 30 AFEERN CCN(CC#N)C[C@@H]1CCCC[C@H]1C 612399042 347048226 /nfs/dbraw/zinc/04/82/26/347048226.db2.gz BNKFQJPOKZTCSR-NEPJUHHUSA-N 0 0 194.322 2.658 10 30 AFEERN CCN(CC#N)C[C@@H]1CCCC[C@@H]1C 612399044 347048273 /nfs/dbraw/zinc/04/82/73/347048273.db2.gz BNKFQJPOKZTCSR-RYUDHWBXSA-N 0 0 194.322 2.658 10 30 AFEERN C=C(C)COc1ccc(C)cc1OC 612842537 347052679 /nfs/dbraw/zinc/05/26/79/347052679.db2.gz GEWUHGYBRQJCHE-UHFFFAOYSA-N 0 0 192.258 2.959 10 30 AFEERN C=CCN1CCc2cc(F)c(F)cc21 613668570 347062941 /nfs/dbraw/zinc/06/29/41/347062941.db2.gz UWSKCGNKALBECC-UHFFFAOYSA-N 0 0 195.212 2.513 10 30 AFEERN C=CCCCNC(=O)[C@H]1CCC1(C)C 614209260 347068742 /nfs/dbraw/zinc/06/87/42/347068742.db2.gz GQGVLOAAVGTBCL-SNVBAGLBSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCNC(=O)[C@@H]1CCC1(C)C 614209259 347068819 /nfs/dbraw/zinc/06/88/19/347068819.db2.gz GQGVLOAAVGTBCL-JTQLQIEISA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)CCNC(=O)[C@H]1CCC1(C)C 615826140 347087873 /nfs/dbraw/zinc/08/78/73/347087873.db2.gz MLEUCFGTSGTRMQ-SNVBAGLBSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)CCNC(=O)[C@@H]1CCC1(C)C 615826135 347088055 /nfs/dbraw/zinc/08/80/55/347088055.db2.gz MLEUCFGTSGTRMQ-JTQLQIEISA-N 0 0 195.306 2.505 10 30 AFEERN C=C(CC)CNC(=O)[C@@H]1CCC1(C)C 616115646 347091475 /nfs/dbraw/zinc/09/14/75/347091475.db2.gz WSIMNSOTFPPNLI-JTQLQIEISA-N 0 0 195.306 2.505 10 30 AFEERN C[C@@H](C=O)Sc1ccccc1F 616570812 347098766 /nfs/dbraw/zinc/09/87/66/347098766.db2.gz CYILLYAXILGEAU-ZETCQYMHSA-N 0 0 184.235 2.505 10 30 AFEERN Cc1ccc(S[C@H](C)C=O)cc1C 616570904 347098810 /nfs/dbraw/zinc/09/88/10/347098810.db2.gz DUBKCIGGXHNAHN-SNVBAGLBSA-N 0 0 194.299 2.983 10 30 AFEERN C[C@H](C=O)Sc1ccccc1F 616570804 347098978 /nfs/dbraw/zinc/09/89/78/347098978.db2.gz CYILLYAXILGEAU-SSDOTTSWSA-N 0 0 184.235 2.505 10 30 AFEERN Cc1ccc(S[C@@H](C)C=O)cc1C 616570900 347098991 /nfs/dbraw/zinc/09/89/91/347098991.db2.gz DUBKCIGGXHNAHN-JTQLQIEISA-N 0 0 194.299 2.983 10 30 AFEERN Cc1ccccc1S[C@@H](C)C=O 616571616 347099657 /nfs/dbraw/zinc/09/96/57/347099657.db2.gz HXZNMGVRIUIHTQ-VIFPVBQESA-N 0 0 180.272 2.675 10 30 AFEERN Cc1cccc(CS[C@@H](C)C=O)c1 616571611 347099718 /nfs/dbraw/zinc/09/97/18/347099718.db2.gz HWWVVXNDIDXRTM-JTQLQIEISA-N 0 0 194.299 2.816 10 30 AFEERN Cc1ccccc1S[C@H](C)C=O 616571614 347099862 /nfs/dbraw/zinc/09/98/62/347099862.db2.gz HXZNMGVRIUIHTQ-SECBINFHSA-N 0 0 180.272 2.675 10 30 AFEERN C[C@H](C=O)Sc1ccc(F)cc1 616572082 347100352 /nfs/dbraw/zinc/10/03/52/347100352.db2.gz JKLLHRRQVDVUOG-SSDOTTSWSA-N 0 0 184.235 2.505 10 30 AFEERN C[C@@H](C=O)Sc1ccc(F)cc1 616572083 347100545 /nfs/dbraw/zinc/10/05/45/347100545.db2.gz JKLLHRRQVDVUOG-ZETCQYMHSA-N 0 0 184.235 2.505 10 30 AFEERN C[C@@H](C=O)Sc1cccc(F)c1 616573253 347101292 /nfs/dbraw/zinc/10/12/92/347101292.db2.gz QVWWIKQDSZUNTA-ZETCQYMHSA-N 0 0 184.235 2.505 10 30 AFEERN C[C@H](C=O)Sc1cccc(F)c1 616573251 347101372 /nfs/dbraw/zinc/10/13/72/347101372.db2.gz QVWWIKQDSZUNTA-SSDOTTSWSA-N 0 0 184.235 2.505 10 30 AFEERN Cc1ccccc1CS[C@@H](C)C=O 616573755 347101915 /nfs/dbraw/zinc/10/19/15/347101915.db2.gz UIGAISMEVUNXFG-JTQLQIEISA-N 0 0 194.299 2.816 10 30 AFEERN Cc1ccccc1CS[C@H](C)C=O 616573757 347101974 /nfs/dbraw/zinc/10/19/74/347101974.db2.gz UIGAISMEVUNXFG-SNVBAGLBSA-N 0 0 194.299 2.816 10 30 AFEERN Cc1ccc(S[C@@H](C)C=O)c(C)c1 616574363 347102409 /nfs/dbraw/zinc/10/24/09/347102409.db2.gz ZMSNRKHPYDWCKV-JTQLQIEISA-N 0 0 194.299 2.983 10 30 AFEERN Cc1ccc(S[C@H](C)C=O)c(C)c1 616574364 347102801 /nfs/dbraw/zinc/10/28/01/347102801.db2.gz ZMSNRKHPYDWCKV-SNVBAGLBSA-N 0 0 194.299 2.983 10 30 AFEERN C=CCCC(=O)N[C@H](C)C(C)(C)CC 617571413 347176666 /nfs/dbraw/zinc/17/66/66/347176666.db2.gz MHJFFSCNLCNWHE-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=CCCC(=O)N[C@@H](C)C(C)(C)CC 617571412 347176817 /nfs/dbraw/zinc/17/68/17/347176817.db2.gz MHJFFSCNLCNWHE-JTQLQIEISA-N 0 0 197.322 2.894 10 30 AFEERN C=CCCNC(=O)[C@@H](C)CC(C)(C)C 617617742 347178867 /nfs/dbraw/zinc/17/88/67/347178867.db2.gz RTFORDIVISECHH-JTQLQIEISA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCNC(=O)[C@H](C)CC(C)(C)C 617617743 347179031 /nfs/dbraw/zinc/17/90/31/347179031.db2.gz RTFORDIVISECHH-SNVBAGLBSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCNC(=O)CC(C)(C)CCC 617617611 347179142 /nfs/dbraw/zinc/17/91/42/347179142.db2.gz NPNYGJLOCYYMAG-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCNC(=O)CC1CC(C)(C)C1 617618611 347179729 /nfs/dbraw/zinc/17/97/29/347179729.db2.gz XDUHNRASRINCTI-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCNC(=O)CC1(C)CCCC1 617618543 347179753 /nfs/dbraw/zinc/17/97/53/347179753.db2.gz TXTKOZPJDHSJHM-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCNC(=O)CCCC(C)C 617619421 347180328 /nfs/dbraw/zinc/18/03/28/347180328.db2.gz VJONWOCCZCSHGY-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=CC[C@H]1CCCN(C(=O)CCC)C1 617789313 347184562 /nfs/dbraw/zinc/18/45/62/347184562.db2.gz FDDPZHFIBVCAPQ-NSHDSACASA-N 0 0 195.306 2.601 10 30 AFEERN C=CC[C@@H]1CCCN(C(=O)CCC)C1 617789312 347184662 /nfs/dbraw/zinc/18/46/62/347184662.db2.gz FDDPZHFIBVCAPQ-LLVKDONJSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)COc1ccc(C#N)c(C)c1 618062923 347186223 /nfs/dbraw/zinc/18/62/23/347186223.db2.gz BWGVMZNZZLLTBC-UHFFFAOYSA-N 0 0 187.242 2.822 10 30 AFEERN C=CCCCCCN(CC#N)C1CC1 618745866 347192099 /nfs/dbraw/zinc/19/20/99/347192099.db2.gz HDZMZKXSWCTOMX-UHFFFAOYSA-N 0 0 192.306 2.721 10 30 AFEERN C=CCCC(=O)N[C@](C)(CC)C1CC1 618953537 347195937 /nfs/dbraw/zinc/19/59/37/347195937.db2.gz NBAZSBGKYFLEBK-GFCCVEGCSA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCC(=O)N[C@@](C)(CC)C1CC1 618953539 347195940 /nfs/dbraw/zinc/19/59/40/347195940.db2.gz NBAZSBGKYFLEBK-LBPRGKRZSA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCN(C#N)c1cccc(F)c1 619550028 347202588 /nfs/dbraw/zinc/20/25/88/347202588.db2.gz HIMNIBJNBLQAEX-UHFFFAOYSA-N 0 0 190.221 2.689 10 30 AFEERN C=CCCC(=O)N[C@@H](C(C)C)C1CC1 620037576 347207233 /nfs/dbraw/zinc/20/72/33/347207233.db2.gz AVLXJFJUFDEYHD-LBPRGKRZSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCCC(=O)N[C@H](C(C)C)C1CC1 620037575 347207494 /nfs/dbraw/zinc/20/74/94/347207494.db2.gz AVLXJFJUFDEYHD-GFCCVEGCSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCN(CC)c1cccc(OC)c1 620505123 347213791 /nfs/dbraw/zinc/21/37/91/347213791.db2.gz AGXLIWSKYAJJFJ-UHFFFAOYSA-N 0 0 191.274 2.708 10 30 AFEERN C=CC(C)(C)C(=O)NC1CC(C)(C)C1 620735630 347216998 /nfs/dbraw/zinc/21/69/98/347216998.db2.gz DTDJJLYEPALECF-UHFFFAOYSA-N 0 0 195.306 2.503 10 30 AFEERN CC#CC[N@@H+]1Cc2ccccc2[C@@H]1C 621398588 347229307 /nfs/dbraw/zinc/22/93/07/347229307.db2.gz BLMUYFANOVRKGR-NSHDSACASA-N 0 0 185.270 2.587 10 30 AFEERN C=C(C)CN1CCc2ccc(C)cc21 622049085 347239215 /nfs/dbraw/zinc/23/92/15/347239215.db2.gz FXUHPIVEUMJYOP-UHFFFAOYSA-N 0 0 187.286 2.934 10 30 AFEERN C=CCN(C(=O)CC1CC1)C(C)(C)C 622943536 347250891 /nfs/dbraw/zinc/25/08/91/347250891.db2.gz GSVMMSYBJRFCOG-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(C)(C)NC(=O)C1=CCC1 622981376 347251194 /nfs/dbraw/zinc/25/11/94/347251194.db2.gz WZSGUGOJUCTUNO-UHFFFAOYSA-N 0 0 193.290 2.568 10 30 AFEERN C=CCN(C(=O)C1=CCC1)C(C)(C)C 622945158 347251317 /nfs/dbraw/zinc/25/13/17/347251317.db2.gz VBCHYEXYSOIIGU-UHFFFAOYSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC(C)(C)CCNC(=O)[C@@H](C)CC 628317273 347314456 /nfs/dbraw/zinc/31/44/56/347314456.db2.gz CJEZTOZGMBZKES-JTQLQIEISA-N 0 0 197.322 2.751 10 30 AFEERN C=CC(C)(C)CCNC(=O)[C@H](C)CC 628317274 347314700 /nfs/dbraw/zinc/31/47/00/347314700.db2.gz CJEZTOZGMBZKES-SNVBAGLBSA-N 0 0 197.322 2.751 10 30 AFEERN C=CC(C)(C)CCNC(=O)CC1CC1 628317321 347314704 /nfs/dbraw/zinc/31/47/04/347314704.db2.gz FFXYVZNHLSNJMR-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CC(C)(C)CCNC(=O)C1(C)CC1 628315660 347314754 /nfs/dbraw/zinc/31/47/54/347314754.db2.gz RMFPMWVQBPDADY-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CC(C)(C)CCNC(=O)CCC 628318725 347314796 /nfs/dbraw/zinc/31/47/96/347314796.db2.gz QFZZDEFDAGHPSR-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=CCCC(=O)NCCC(C)(C)C=C 628317108 347314806 /nfs/dbraw/zinc/31/48/06/347314806.db2.gz WEDAFVUDTDIZBN-UHFFFAOYSA-N 0 0 195.306 2.671 10 30 AFEERN C=CC(C)(C)CCNC(=O)CC(C)C 628318377 347314871 /nfs/dbraw/zinc/31/48/71/347314871.db2.gz BNPCKZJOZNALAO-UHFFFAOYSA-N 0 0 197.322 2.751 10 30 AFEERN C=CC(C)(C)CCNC(=O)C1CCC1 628318929 347314939 /nfs/dbraw/zinc/31/49/39/347314939.db2.gz ZSYLMWPKDOKCBN-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CC(C)(C)CCNC(=O)CCCC 628317691 347314941 /nfs/dbraw/zinc/31/49/41/347314941.db2.gz VEHKBUJXYIMLPX-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CC(C)(C)CCNC(=O)C(C)(C)C 628317545 347314990 /nfs/dbraw/zinc/31/49/90/347314990.db2.gz OCBKSQIJHLRZDM-UHFFFAOYSA-N 0 0 197.322 2.751 10 30 AFEERN C=CC[C@H]1CCN(C(=O)CCCC)C1 628484390 347319689 /nfs/dbraw/zinc/31/96/89/347319689.db2.gz LWVVEAYHDBOZQF-NSHDSACASA-N 0 0 195.306 2.601 10 30 AFEERN C=CC[C@@H]1CCN(C(=O)CCCC)C1 628484389 347319580 /nfs/dbraw/zinc/31/95/80/347319580.db2.gz LWVVEAYHDBOZQF-LLVKDONJSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)c1cnc(N(C)C)c(Cl)c1 629729797 347357091 /nfs/dbraw/zinc/35/70/91/347357091.db2.gz DMONZVHWDUFUBY-UHFFFAOYSA-N 0 0 196.681 2.834 10 30 AFEERN C=C(C)c1cnc(C(C)C)n1C 630052002 347359107 /nfs/dbraw/zinc/35/91/07/347359107.db2.gz HCVVZJWKDJHUHT-UHFFFAOYSA-N 0 0 164.252 2.577 10 30 AFEERN C=C1CC(C)(C(=O)NCCCCC)C1 630389286 347362195 /nfs/dbraw/zinc/36/21/95/347362195.db2.gz QLWCIQBFYUWVPC-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=C1CC(C)(C(=O)NCCC(C)C)C1 630407656 347364101 /nfs/dbraw/zinc/36/41/01/347364101.db2.gz LBICVIQDMWYTLQ-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCNC(=O)C[C@H](CC)C(C)(C)C 630409841 347364967 /nfs/dbraw/zinc/36/49/67/347364967.db2.gz IDQGYGGSNXASBW-JTQLQIEISA-N 0 0 197.322 2.751 10 30 AFEERN C=CCNC(=O)C[C@@H](CC)C(C)(C)C 630409842 347364992 /nfs/dbraw/zinc/36/49/92/347364992.db2.gz IDQGYGGSNXASBW-SNVBAGLBSA-N 0 0 197.322 2.751 10 30 AFEERN C=C1CC(C)(C(=O)NC(CC)CC)C1 630415152 347365620 /nfs/dbraw/zinc/36/56/20/347365620.db2.gz NNQITYLUHUCWDF-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCC(C)(C)CNC(=O)C(C)C 630441251 347366209 /nfs/dbraw/zinc/36/62/09/347366209.db2.gz WKDMYFIHQPECDR-UHFFFAOYSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCn1cc(C(C)(C)CC)nn1 630590609 347368704 /nfs/dbraw/zinc/36/87/04/347368704.db2.gz JYZNURFCPVLLON-UHFFFAOYSA-N 0 0 193.294 2.542 10 30 AFEERN C=C1CC(C)(C(=O)N[C@@H](C)CCC)C1 630645802 347369109 /nfs/dbraw/zinc/36/91/09/347369109.db2.gz SZWTWKPEQGJFBY-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=C1CC(C)(C(=O)N[C@H](C)CCC)C1 630645804 347369538 /nfs/dbraw/zinc/36/95/38/347369538.db2.gz SZWTWKPEQGJFBY-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=C1CC(C)(C(=O)N(C)CCCC)C1 630674422 347370205 /nfs/dbraw/zinc/37/02/05/347370205.db2.gz AXSVUSYMKFXBNM-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C1CC(C)(C(=O)N(CC)CCC)C1 630707963 347370546 /nfs/dbraw/zinc/37/05/46/347370546.db2.gz RAMGDRITEWGKNB-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C1CC(C)(C(=O)NCC(C)(C)C)C1 630813686 347372091 /nfs/dbraw/zinc/37/20/91/347372091.db2.gz ADNQVWBZCSXBDG-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCC(C)(C)CNC(=O)CC 632641205 347397710 /nfs/dbraw/zinc/39/77/10/347397710.db2.gz WKNSXEHCZSWFKL-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=CCCC(C)(C)CNC(=O)C1CC1 633963406 347406201 /nfs/dbraw/zinc/40/62/01/347406201.db2.gz JETONTGFVBKKKO-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCC(C)(C)CNC(=O)CCC 633963853 347406265 /nfs/dbraw/zinc/40/62/65/347406265.db2.gz VIBZHAZJQDPRIT-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCC(=O)NCCC(C)(C)CC 633967961 347406272 /nfs/dbraw/zinc/40/62/72/347406272.db2.gz RIZFGKKUHPEGGX-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCC(=O)N[C@@H](C)CC1CCC1 634367168 347412427 /nfs/dbraw/zinc/41/24/27/347412427.db2.gz CUUHSZCGBKUDPY-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCC(=O)N[C@H](C)CC1CCC1 634367169 347412500 /nfs/dbraw/zinc/41/25/00/347412500.db2.gz CUUHSZCGBKUDPY-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCOc1ccc2c(c1)CCO2 634555976 347414402 /nfs/dbraw/zinc/41/44/02/347414402.db2.gz AVEFQFLBNYABQM-UHFFFAOYSA-N 0 0 190.242 2.576 10 30 AFEERN C=CC[C@@H](C)NC(=O)CC(C)=C(C)C 635574149 347444117 /nfs/dbraw/zinc/44/41/17/347444117.db2.gz ANFJXQVCDOVTIF-LLVKDONJSA-N 0 0 195.306 2.814 10 30 AFEERN C=CC[C@H](C)NC(=O)CC(C)=C(C)C 635574154 347444137 /nfs/dbraw/zinc/44/41/37/347444137.db2.gz ANFJXQVCDOVTIF-NSHDSACASA-N 0 0 195.306 2.814 10 30 AFEERN C=C(C)CN(C)C(=O)CC(C)=C(C)C 635775737 347448655 /nfs/dbraw/zinc/44/86/55/347448655.db2.gz YPYZZMBEXIUQNN-UHFFFAOYSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCN(C)C(=O)CC(C)=C(C)C 635840027 347448960 /nfs/dbraw/zinc/44/89/60/347448960.db2.gz NDUZDEBIGILHGA-UHFFFAOYSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCCNC(=O)CC(C)=C(C)C 635871898 347450109 /nfs/dbraw/zinc/45/01/09/347450109.db2.gz IWSIWPZUEKWCHW-UHFFFAOYSA-N 0 0 195.306 2.815 10 30 AFEERN C=C(CC)CNC(=O)CC(C)=C(C)C 636006553 347452830 /nfs/dbraw/zinc/45/28/30/347452830.db2.gz LUHXBEUVTCMVBL-UHFFFAOYSA-N 0 0 195.306 2.815 10 30 AFEERN C=C(C)CCNC(=O)CC(C)=C(C)C 635986941 347452974 /nfs/dbraw/zinc/45/29/74/347452974.db2.gz HXRUHODVRBJAPU-UHFFFAOYSA-N 0 0 195.306 2.815 10 30 AFEERN C=CC[N@@H+](C)Cc1csc(C)c1C 639067300 347500654 /nfs/dbraw/zinc/50/06/54/347500654.db2.gz IIWUKBMKPVQUGI-UHFFFAOYSA-N 0 0 195.331 2.983 10 30 AFEERN C=C(C)CN(CC)CC(F)(F)CC 639444803 347517925 /nfs/dbraw/zinc/51/79/25/347517925.db2.gz OVFUPGUEJBJINW-UHFFFAOYSA-N 0 0 191.265 2.930 10 30 AFEERN C=CCN(CC=C)CC(F)(F)CC 639450552 347518024 /nfs/dbraw/zinc/51/80/24/347518024.db2.gz RTXNSFXODWCWHM-UHFFFAOYSA-N 0 0 189.249 2.706 10 30 AFEERN C=C1CCN(CC(F)(F)CC)CC1 639481956 347520701 /nfs/dbraw/zinc/52/07/01/347520701.db2.gz GIUPFGOOVHPAKR-UHFFFAOYSA-N 0 0 189.249 2.684 10 30 AFEERN C=CCCCN(C)CC(F)(F)CC 639501285 347521312 /nfs/dbraw/zinc/52/13/12/347521312.db2.gz QYADBUFECNNDLJ-UHFFFAOYSA-N 0 0 191.265 2.930 10 30 AFEERN C=CCN(CC(F)(F)CC)C1CC1 639559784 347524652 /nfs/dbraw/zinc/52/46/52/347524652.db2.gz SRLOWYNFBSXQKQ-UHFFFAOYSA-N 0 0 189.249 2.682 10 30 AFEERN C=C(C)CN(C)CC(F)(F)CC 639572328 347525679 /nfs/dbraw/zinc/52/56/79/347525679.db2.gz PCAWOIJOWAJGPG-UHFFFAOYSA-N 0 0 177.238 2.540 10 30 AFEERN C=CCCN(C)CC(F)(F)CC 639609485 347528318 /nfs/dbraw/zinc/52/83/18/347528318.db2.gz QEHNZBONAYLPSF-UHFFFAOYSA-N 0 0 177.238 2.540 10 30 AFEERN C=C(CC)CN(C)Cc1ccns1 639810389 347536431 /nfs/dbraw/zinc/53/64/31/347536431.db2.gz WUFPUHTYNVOJAW-UHFFFAOYSA-N 0 0 196.319 2.541 10 30 AFEERN C=CCN[C@@H](CF)c1ccc(F)cc1 640154264 347546856 /nfs/dbraw/zinc/54/68/56/347546856.db2.gz XZPNXGYSXKZGSV-NSHDSACASA-N 0 0 197.228 2.612 10 30 AFEERN C=CCCN1Cc2ccccc2CO1 640124489 347546880 /nfs/dbraw/zinc/54/68/80/347546880.db2.gz ASJPXVVITPXUHH-UHFFFAOYSA-N 0 0 189.258 2.510 10 30 AFEERN C=CCN[C@H](CF)c1ccc(F)cc1 640154259 347547140 /nfs/dbraw/zinc/54/71/40/347547140.db2.gz XZPNXGYSXKZGSV-LLVKDONJSA-N 0 0 197.228 2.612 10 30 AFEERN C=CCCCN1OC2CCC1CC2 640228377 347548409 /nfs/dbraw/zinc/54/84/09/347548409.db2.gz FRMNBEWHTQGRTG-UHFFFAOYSA-N 0 0 181.279 2.511 10 30 AFEERN C=C(CC)CN1OC2CCC1CC2 640231183 347549293 /nfs/dbraw/zinc/54/92/93/347549293.db2.gz YTSKGZMXHWKOPA-UHFFFAOYSA-N 0 0 181.279 2.511 10 30 AFEERN C=C(C)CCN1OC2CCC1CC2 640231185 347549444 /nfs/dbraw/zinc/54/94/44/347549444.db2.gz YZVUPYVSSLXZBN-UHFFFAOYSA-N 0 0 181.279 2.511 10 30 AFEERN C=CCCCCN1OC2CCC1CC2 640232799 347549953 /nfs/dbraw/zinc/54/99/53/347549953.db2.gz VXUOYDJDANYPJX-UHFFFAOYSA-N 0 0 195.306 2.901 10 30 AFEERN C=C(C)Cn1cc(C(C)(C)CC)nn1 640803395 347558127 /nfs/dbraw/zinc/55/81/27/347558127.db2.gz KTCMIIXBQHKOID-UHFFFAOYSA-N 0 0 193.294 2.542 10 30 AFEERN C=CCCCn1cc(C(C)(C)C)nn1 640938647 347559287 /nfs/dbraw/zinc/55/92/87/347559287.db2.gz DRBJOUFZROYKFR-UHFFFAOYSA-N 0 0 193.294 2.542 10 30 AFEERN C=C(C)CCn1cc(C(C)(C)C)nn1 641069356 347560808 /nfs/dbraw/zinc/56/08/08/347560808.db2.gz GUGPCGQKFKQTIB-UHFFFAOYSA-N 0 0 193.294 2.542 10 30 AFEERN C=CCCCN(C)c1ccncc1F 641386211 347571594 /nfs/dbraw/zinc/57/15/94/347571594.db2.gz XHNILCUIJHKPBT-UHFFFAOYSA-N 0 0 194.253 2.623 10 30 AFEERN C=CCCCSc1nnc(CC)o1 641561912 347576303 /nfs/dbraw/zinc/57/63/03/347576303.db2.gz GDMWXRCXYCFWFH-UHFFFAOYSA-N 0 0 198.291 2.690 10 30 AFEERN C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(F)F 641791385 347583829 /nfs/dbraw/zinc/58/38/29/347583829.db2.gz HPYWVUQZYRYVCB-DJLDLDEBSA-N 0 0 191.265 2.830 10 30 AFEERN C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(F)F 641791387 347583846 /nfs/dbraw/zinc/58/38/46/347583846.db2.gz HPYWVUQZYRYVCB-YIZRAAEISA-N 0 0 191.265 2.830 10 30 AFEERN C=CCC[C@H](CC)[NH2+][C@H](C)C(F)F 641791582 347583943 /nfs/dbraw/zinc/58/39/43/347583943.db2.gz KQUUTULEAHILHO-BDAKNGLRSA-N 0 0 191.265 2.974 10 30 AFEERN C=CCC[C@@H](CC)[NH2+][C@@H](C)C(F)F 641791583 347583958 /nfs/dbraw/zinc/58/39/58/347583958.db2.gz KQUUTULEAHILHO-DTWKUNHWSA-N 0 0 191.265 2.974 10 30 AFEERN C=CCC[C@H](CC)[NH2+][C@@H](C)C(F)F 641791584 347584001 /nfs/dbraw/zinc/58/40/01/347584001.db2.gz KQUUTULEAHILHO-IUCAKERBSA-N 0 0 191.265 2.974 10 30 AFEERN C=CCC[C@@H](CC)[NH2+][C@H](C)C(F)F 641791586 347584093 /nfs/dbraw/zinc/58/40/93/347584093.db2.gz KQUUTULEAHILHO-RKDXNWHRSA-N 0 0 191.265 2.974 10 30 AFEERN C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(F)F 641791386 347584209 /nfs/dbraw/zinc/58/42/09/347584209.db2.gz HPYWVUQZYRYVCB-XHNCKOQMSA-N 0 0 191.265 2.830 10 30 AFEERN C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(F)F 641791384 347584298 /nfs/dbraw/zinc/58/42/98/347584298.db2.gz HPYWVUQZYRYVCB-CIUDSAMLSA-N 0 0 191.265 2.830 10 30 AFEERN C=CCN(CC=C)C(=O)CCC(C)C 641953278 347587655 /nfs/dbraw/zinc/58/76/55/347587655.db2.gz GARQPFQFOBOTKX-UHFFFAOYSA-N 0 0 195.306 2.623 10 30 AFEERN C=CCCCCn1ccc(C)cc1=O 642184225 347590075 /nfs/dbraw/zinc/59/00/75/347590075.db2.gz DRFLUZXIZLWSSH-UHFFFAOYSA-N 0 0 191.274 2.513 10 30 AFEERN C=C(C)CCn1cnc(C(C)(C)C)n1 642337493 347593822 /nfs/dbraw/zinc/59/38/22/347593822.db2.gz PYYBDRIAHCWWNQ-UHFFFAOYSA-N 0 0 193.294 2.542 10 30 AFEERN C=CCCOc1cccc2c1OCC2 642446624 347595109 /nfs/dbraw/zinc/59/51/09/347595109.db2.gz FDCSPXYEIJEQNZ-UHFFFAOYSA-N 0 0 190.242 2.576 10 30 AFEERN C=C(C)COc1cccc(N(C)C)c1 642609076 347595851 /nfs/dbraw/zinc/59/58/51/347595851.db2.gz CCLQKPTXBPBAFQ-UHFFFAOYSA-N 0 0 191.274 2.708 10 30 AFEERN CC(C)=C1CC[C@H](C)C/C1=N\O 83812 351269747 /nfs/dbraw/zinc/26/97/47/351269747.db2.gz FXBOSCKBLTVABQ-PNLVODKCSA-N 0 0 167.252 2.973 10 30 AFEERN C=C(C)[C@@H]1CCC(C)(C)C(=O)[C@H]1C#N 343250 351276048 /nfs/dbraw/zinc/27/60/48/351276048.db2.gz AEQYOGXRKORXFQ-UWVGGRQHSA-N 0 0 191.274 2.708 10 30 AFEERN N#CCc1nc2cc(Cl)ccc2o1 401841 351279327 /nfs/dbraw/zinc/27/93/27/351279327.db2.gz QWFMBABODIAJPE-UHFFFAOYSA-N 0 0 192.605 2.547 10 30 AFEERN Cc1ccccc1NC(C)(C)C#N 3078005 351315809 /nfs/dbraw/zinc/31/58/09/351315809.db2.gz HLUGRNUEWDNGFJ-UHFFFAOYSA-N 0 0 174.247 2.709 10 30 AFEERN CC(C)CC1=CC(=O)CCC1 4802895 351334439 /nfs/dbraw/zinc/33/44/39/351334439.db2.gz YGKSCBVONDQGRG-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C#C[C@](C)(O)CCC(C)=C(C)C 5158132 351339999 /nfs/dbraw/zinc/33/99/99/351339999.db2.gz UOQFIGQMCWDDKX-NSHDSACASA-N 0 0 166.264 2.507 10 30 AFEERN CC(C)CCC1=CCCC1=O 5373411 351342647 /nfs/dbraw/zinc/34/26/47/351342647.db2.gz BVUSMSOTLWGFKV-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@@H]1C[C@@H](C=O)CC(C)(C)C1 6031478 351348698 /nfs/dbraw/zinc/34/86/98/351348698.db2.gz XOKRGEQPFOCUDY-RKDXNWHRSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@@H]1C[C@@H]2CCCCC2=CC1=O 6031409 351349100 /nfs/dbraw/zinc/34/91/00/351349100.db2.gz XOJADZURPUVMRO-BDAKNGLRSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)=CCC[C@@H](C)C#N 6036258 351349207 /nfs/dbraw/zinc/34/92/07/351349207.db2.gz BMVIJPTWXRECLB-SECBINFHSA-N 0 0 137.226 2.892 10 30 AFEERN C[C@@H]1C[C@H]2CCCCC2=CC1=O 6031543 351349348 /nfs/dbraw/zinc/34/93/48/351349348.db2.gz XOJADZURPUVMRO-RKDXNWHRSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@@H](C)/C(=N/O)c1ccccc1 13466726 351369051 /nfs/dbraw/zinc/36/90/51/351369051.db2.gz ZWXGJRIWYWRUFF-NPAAXYOMSA-N 0 0 177.247 2.911 10 30 AFEERN N#CC/C=C\c1ccccc1 14651517 351374824 /nfs/dbraw/zinc/37/48/24/351374824.db2.gz CQWHLNCODHOFCT-YWEYNIOJSA-N 0 0 143.189 2.613 10 30 AFEERN CC[C@@H](C=O)c1ccc(C)cc1 32006103 351424256 /nfs/dbraw/zinc/42/42/56/351424256.db2.gz RJFBTURJHRLRTG-JTQLQIEISA-N 0 0 162.232 2.688 10 30 AFEERN CC[C@@H](C=O)c1ccc(F)cc1 32006367 351424129 /nfs/dbraw/zinc/42/41/29/351424129.db2.gz AUBUGOPTRPNLFG-QMMMGPOBSA-N 0 0 166.195 2.518 10 30 AFEERN CC[C@@H](C=O)c1cc(C)ccc1C 32006906 351424398 /nfs/dbraw/zinc/42/43/98/351424398.db2.gz HZQYOYRMFDUWBU-NSHDSACASA-N 0 0 176.259 2.996 10 30 AFEERN CC(C)C(=O)c1ccc(F)c(C#N)c1 32008345 351425437 /nfs/dbraw/zinc/42/54/37/351425437.db2.gz IBZLCZGPIFYEDM-UHFFFAOYSA-N 0 0 191.205 2.536 10 30 AFEERN CC(C)C1=CC(=O)CC(C)(C)C1 32135337 351425688 /nfs/dbraw/zinc/42/56/88/351425688.db2.gz MYUGFXPFGVRZED-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN CCOc1ccc(C(C)(C)C=O)cc1 32202730 351427424 /nfs/dbraw/zinc/42/74/24/351427424.db2.gz BTCIFTQVULXRDT-UHFFFAOYSA-N 0 0 192.258 2.562 10 30 AFEERN CC(C)C/C=N/Cc1ccco1 33506287 351431571 /nfs/dbraw/zinc/43/15/71/351431571.db2.gz MXIKHMGQIAQRPG-IZZDOVSWSA-N 0 0 165.236 2.897 10 30 AFEERN C=C(C)[C@@H]1CC(=O)[C@@H](C)[C@@H](CC#N)C1 33855891 351432771 /nfs/dbraw/zinc/43/27/71/351432771.db2.gz QQPHRURVHPZOGV-DCAQKATOSA-N 0 0 191.274 2.708 10 30 AFEERN CCOc1ccc(C2(C#N)CC2)cc1 34084255 351435114 /nfs/dbraw/zinc/43/51/14/351435114.db2.gz ZOVYVLKSIXNOFW-UHFFFAOYSA-N 0 0 187.242 2.640 10 30 AFEERN CCS[C@H](C)C/C=C/C(C)=O 34222812 351436816 /nfs/dbraw/zinc/43/68/16/351436816.db2.gz WZHZGZNRMBGZCR-VUHVRTRXSA-N 0 0 172.293 2.663 10 30 AFEERN c1cc([C@@H]2CO2)c2occc2c1 34412657 351439522 /nfs/dbraw/zinc/43/95/22/351439522.db2.gz ZNILXSHYEVKFAU-VIFPVBQESA-N 0 0 160.172 2.504 10 30 AFEERN c1cc([C@H]2CO2)c2occc2c1 34412658 351439915 /nfs/dbraw/zinc/43/99/15/351439915.db2.gz ZNILXSHYEVKFAU-SECBINFHSA-N 0 0 160.172 2.504 10 30 AFEERN C/C(=N\C(C)(C)C)[C@@H](C)Cl 34448898 351440708 /nfs/dbraw/zinc/44/07/08/351440708.db2.gz DXWKOZITUNKANS-RSCIBMLMSA-N 0 0 161.676 2.873 10 30 AFEERN O=CCC1CCCCCCC1 34568574 351442607 /nfs/dbraw/zinc/44/26/07/351442607.db2.gz CHHFIOHFIVEZCL-UHFFFAOYSA-N 0 0 154.253 2.936 10 30 AFEERN CC(C)CSc1ncccc1C#N 34936679 351445990 /nfs/dbraw/zinc/44/59/90/351445990.db2.gz UQXVUNXXUIGEAW-UHFFFAOYSA-N 0 0 192.287 2.701 10 30 AFEERN C[C@@H]1CC=CC[C@@H]1COCCC#N 34958455 351446717 /nfs/dbraw/zinc/44/67/17/351446717.db2.gz IXYYHKNPGWPCFF-GHMZBOCLSA-N 0 0 179.263 2.519 10 30 AFEERN C[C@@H]1C[C@@H](OCC#N)CC(C)(C)C1 34958258 351446825 /nfs/dbraw/zinc/44/68/25/351446825.db2.gz FFVCKBGUHXCQFZ-NXEZZACHSA-N 0 0 181.279 2.741 10 30 AFEERN C[C@@H]1CC=CC[C@H]1COCCC#N 34958457 351446847 /nfs/dbraw/zinc/44/68/47/351446847.db2.gz IXYYHKNPGWPCFF-MNOVXSKESA-N 0 0 179.263 2.519 10 30 AFEERN CC[C@@H](C)n1c(C)c(C)c(C#N)c1N 34976249 351446927 /nfs/dbraw/zinc/44/69/27/351446927.db2.gz NHDNXELERLLISZ-SSDOTTSWSA-N 0 0 191.278 2.530 10 30 AFEERN CCOc1ccc(C#N)c(C)c1C 36200726 351455491 /nfs/dbraw/zinc/45/54/91/351455491.db2.gz VORYKBSOSFUWEF-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCOc1cc(C)c(C#N)c(C)c1 36199225 351455505 /nfs/dbraw/zinc/45/55/05/351455505.db2.gz WRQLOADCUHAPTA-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCOc1cc(C)c(C#N)cc1C 36200205 351455858 /nfs/dbraw/zinc/45/58/58/351455858.db2.gz RKNIYWVCDHNXRJ-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CC[C@@H](C#N)C(=O)c1ccc(C)s1 36915988 351460901 /nfs/dbraw/zinc/46/09/01/351460901.db2.gz JXYOXKSLPODWSM-QMMMGPOBSA-N 0 0 193.271 2.789 10 30 AFEERN CC[C@@H](C#N)C(=O)c1cc(C)oc1C 36915896 351460937 /nfs/dbraw/zinc/46/09/37/351460937.db2.gz MZZQWECZOHKNDR-VIFPVBQESA-N 0 0 191.230 2.629 10 30 AFEERN CC[C@@H](C#N)C(=O)c1cccc(C)c1 36916056 351461118 /nfs/dbraw/zinc/46/11/18/351461118.db2.gz WNTKFXVLXKLNEO-JTQLQIEISA-N 0 0 187.242 2.728 10 30 AFEERN CC[C@@H](C#N)C(=O)C1CCCCC1 36916090 351461134 /nfs/dbraw/zinc/46/11/34/351461134.db2.gz MDRDYDNKXZGBFN-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@@H](C#N)C(=O)c1ccccc1C 36916038 351461272 /nfs/dbraw/zinc/46/12/72/351461272.db2.gz FUUVRDGWEQTRMP-JTQLQIEISA-N 0 0 187.242 2.728 10 30 AFEERN CC[C@@H](C#N)C(=O)c1cccc(F)c1 36916046 351461362 /nfs/dbraw/zinc/46/13/62/351461362.db2.gz AKMSICHXMYQEQO-QMMMGPOBSA-N 0 0 191.205 2.558 10 30 AFEERN CC[C@@H](C#N)C(=O)c1ccccc1F 36916022 351461541 /nfs/dbraw/zinc/46/15/41/351461541.db2.gz QHAYWWGWIHMITH-QMMMGPOBSA-N 0 0 191.205 2.558 10 30 AFEERN CC[C@@H](C)Nc1ccc(CC#N)cc1 37071394 351462089 /nfs/dbraw/zinc/46/20/89/351462089.db2.gz IWTCTWHZADCSCO-SNVBAGLBSA-N 0 0 188.274 2.963 10 30 AFEERN CC(C)CC[C@@H](C)C#N 37245531 351464156 /nfs/dbraw/zinc/46/41/56/351464156.db2.gz BGNGUPQFAFEWPH-MRVPVSSYSA-N 0 0 125.215 2.582 10 30 AFEERN CC(C)CC[C@H](C)C#N 37245533 351464179 /nfs/dbraw/zinc/46/41/79/351464179.db2.gz BGNGUPQFAFEWPH-QMMMGPOBSA-N 0 0 125.215 2.582 10 30 AFEERN C[C@@H]1CCC[C@](C#N)(N2CCCC2)C1 37355623 351466471 /nfs/dbraw/zinc/46/64/71/351466471.db2.gz GIABHHBQTFGMNI-NEPJUHHUSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@@H]1CCC[C@@](C#N)(N2CCCC2)C1 37355621 351466683 /nfs/dbraw/zinc/46/66/83/351466683.db2.gz GIABHHBQTFGMNI-VXGBXAGGSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@@](C#N)(NC1CC1)C1CCCCC1 37367021 351466737 /nfs/dbraw/zinc/46/67/37/351466737.db2.gz GBAFCBKZWLNLRG-LBPRGKRZSA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@@H](C#N)C(=O)c1ccc(C)cc1 37507698 351470088 /nfs/dbraw/zinc/47/00/88/351470088.db2.gz UIPYZZYXJDTIAJ-JTQLQIEISA-N 0 0 187.242 2.728 10 30 AFEERN CC[C@@H](C)c1csc(CC#N)n1 37745363 351472891 /nfs/dbraw/zinc/47/28/91/351472891.db2.gz TVBRPLLRAAREEA-SSDOTTSWSA-N 0 0 180.276 2.723 10 30 AFEERN CC[C@](C#N)(C(C)C)N1CCCCC1 37755157 351473833 /nfs/dbraw/zinc/47/38/33/351473833.db2.gz ONZXRAAYMMMSIW-LBPRGKRZSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@](C#N)(C(C)C)N1CCCCC1 37755156 351474031 /nfs/dbraw/zinc/47/40/31/351474031.db2.gz ONZXRAAYMMMSIW-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@H](C#N)Nc1cccc(F)c1 37937091 351476567 /nfs/dbraw/zinc/47/65/67/351476567.db2.gz RRCAULVDZBRJFU-VIFPVBQESA-N 0 0 178.210 2.540 10 30 AFEERN CC(C)CN[C@@]1(C#N)CCC[C@H](C)C1 37939130 351476835 /nfs/dbraw/zinc/47/68/35/351476835.db2.gz WDUDTHMQULSWTF-RYUDHWBXSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)CN[C@@]1(C#N)CCC[C@@H](C)C1 37939129 351477067 /nfs/dbraw/zinc/47/70/67/351477067.db2.gz WDUDTHMQULSWTF-NEPJUHHUSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@@H](C#N)Nc1cccc(C)c1 37936828 351477218 /nfs/dbraw/zinc/47/72/18/351477218.db2.gz VAAWPLSBLBUMFH-JTQLQIEISA-N 0 0 174.247 2.709 10 30 AFEERN CC[C@@H](C#N)Nc1ccc(C)cc1 37935625 351477241 /nfs/dbraw/zinc/47/72/41/351477241.db2.gz GFWWSEUKWQGWBY-JTQLQIEISA-N 0 0 174.247 2.709 10 30 AFEERN CC(C)CN[C@]1(C#N)CCC[C@@H](C)C1 37939127 351477341 /nfs/dbraw/zinc/47/73/41/351477341.db2.gz WDUDTHMQULSWTF-VXGBXAGGSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@@H](C#N)Nc1ccc(F)cc1 37935882 351477372 /nfs/dbraw/zinc/47/73/72/351477372.db2.gz UBIQAFBGFZBUJQ-VIFPVBQESA-N 0 0 178.210 2.540 10 30 AFEERN CC(C)CN[C@]1(C#N)CCC[C@H](C)C1 37939128 351477415 /nfs/dbraw/zinc/47/74/15/351477415.db2.gz WDUDTHMQULSWTF-NWDGAFQWSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@@H](C#N)Nc1ccccc1C 37938048 351477437 /nfs/dbraw/zinc/47/74/37/351477437.db2.gz IFXYJJVBHJGLBF-JTQLQIEISA-N 0 0 174.247 2.709 10 30 AFEERN CC[C@@H](C#N)Nc1ccccc1F 37938993 351477446 /nfs/dbraw/zinc/47/74/46/351477446.db2.gz HPPFALYYCCIZNA-QMMMGPOBSA-N 0 0 178.210 2.540 10 30 AFEERN CC[C@@H](C)NC1(C#N)CCCCCC1 38064570 351478138 /nfs/dbraw/zinc/47/81/38/351478138.db2.gz AWVQGCMNTABBNH-LLVKDONJSA-N 0 0 194.322 2.991 10 30 AFEERN CC[C@@H](C)NC1(C#N)CCC(C)CC1 38064568 351478354 /nfs/dbraw/zinc/47/83/54/351478354.db2.gz VKKGOZRVIJVYPM-MOENNCHZSA-N 0 0 194.322 2.847 10 30 AFEERN C[C@@H]1C[C@@H]2O[C@@H]2c2ccccc21 38665444 351483144 /nfs/dbraw/zinc/48/31/44/351483144.db2.gz IZNGDDRULOMPPT-PPKCKEKNSA-N 0 0 160.216 2.634 10 30 AFEERN CC(C)C1=CC(=O)CCCC1 39103104 351491371 /nfs/dbraw/zinc/49/13/71/351491371.db2.gz QHLOIVQVCCQHHG-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN c1cc2ccc([C@@H]3CO3)cc2o1 39136342 351495550 /nfs/dbraw/zinc/49/55/50/351495550.db2.gz VRVYNDWPUZMBPY-JTQLQIEISA-N 0 0 160.172 2.504 10 30 AFEERN c1cc2ccc([C@H]3CO3)cc2o1 39136343 351495586 /nfs/dbraw/zinc/49/55/86/351495586.db2.gz VRVYNDWPUZMBPY-SNVBAGLBSA-N 0 0 160.172 2.504 10 30 AFEERN c1cc2cc([C@H]3CO3)ccc2o1 39136364 351496023 /nfs/dbraw/zinc/49/60/23/351496023.db2.gz RYINWKNRZGZPRE-SNVBAGLBSA-N 0 0 160.172 2.504 10 30 AFEERN CC[C@@H](C)C1=CC(=O)CCC1 39147501 351496698 /nfs/dbraw/zinc/49/66/98/351496698.db2.gz ZYOIWYRPGXRSIW-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)C/C(=N/O)c1ccccc1 39403314 351502042 /nfs/dbraw/zinc/50/20/42/351502042.db2.gz IZZGKDMJCDEZRA-QXMHVHEDSA-N 0 0 177.247 2.911 10 30 AFEERN Cc1ccc(F)c(CC=O)c1Cl 43502214 351530012 /nfs/dbraw/zinc/53/00/12/351530012.db2.gz IPNDLNBXMRCJIU-UHFFFAOYSA-N 0 0 186.613 2.529 10 30 AFEERN CC[C@@H](C#N)Nc1ccc(C)cc1F 43539524 351530625 /nfs/dbraw/zinc/53/06/25/351530625.db2.gz QNMOJNVVOFCAQT-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@@H](C#N)N1CCCC[C@@H]1CC 43556237 351530649 /nfs/dbraw/zinc/53/06/49/351530649.db2.gz YITPJRZJFARHOP-QWRGUYRKSA-N 0 0 180.295 2.553 10 30 AFEERN CC[C@@H](C#N)Nc1cc(F)ccc1F 43539176 351530738 /nfs/dbraw/zinc/53/07/38/351530738.db2.gz DCWJZFJLCZNDKD-QMMMGPOBSA-N 0 0 196.200 2.679 10 30 AFEERN CC[C@@H](C#N)Oc1cc(C)ccc1C 43557011 351530753 /nfs/dbraw/zinc/53/07/53/351530753.db2.gz AWROHWVKHAWQOK-NSHDSACASA-N 0 0 189.258 2.984 10 30 AFEERN CC[C@@H](C#N)Oc1ccc(C)c(C)c1 43557014 351530848 /nfs/dbraw/zinc/53/08/48/351530848.db2.gz BHYSDRFXXTUHPM-NSHDSACASA-N 0 0 189.258 2.984 10 30 AFEERN CC[C@@H](C#N)Nc1cc(F)ccc1C 43539294 351530905 /nfs/dbraw/zinc/53/09/05/351530905.db2.gz HUEZWPVWBZNOLS-JTQLQIEISA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@@H](C#N)Nc1ccc(F)cc1C 43539330 351531170 /nfs/dbraw/zinc/53/11/70/351531170.db2.gz JYQXUMCJASLTKJ-JTQLQIEISA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@@H](C#N)NC1CCCCCCC1 43539192 351531196 /nfs/dbraw/zinc/53/11/96/351531196.db2.gz WUFHAXBXUNESBZ-NSHDSACASA-N 0 0 194.322 2.991 10 30 AFEERN CC[C@@H](C#N)Nc1cc(F)cc(F)c1 43539336 351531210 /nfs/dbraw/zinc/53/12/10/351531210.db2.gz HSOFGFAKLSJHOF-VIFPVBQESA-N 0 0 196.200 2.679 10 30 AFEERN COc1ccc(S[C@H](C)C#N)cc1 47916718 351545541 /nfs/dbraw/zinc/54/55/41/351545541.db2.gz FDZVCGLYMPYCDH-MRVPVSSYSA-N 0 0 193.271 2.699 10 30 AFEERN COc1ccc(S[C@@H](C)C#N)cc1 47916716 351545886 /nfs/dbraw/zinc/54/58/86/351545886.db2.gz FDZVCGLYMPYCDH-QMMMGPOBSA-N 0 0 193.271 2.699 10 30 AFEERN C[C@@H]1C[C@H]1C(=O)C1=CCCCC1 50324846 351553430 /nfs/dbraw/zinc/55/34/30/351553430.db2.gz WWNABGGOTAJRRQ-PSASIEDQSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@@H](C#N)n1ncc2ccccc21 50525897 351554101 /nfs/dbraw/zinc/55/41/01/351554101.db2.gz LNHZJHFWPQSDKJ-JTQLQIEISA-N 0 0 185.230 2.511 10 30 AFEERN CC[C@@H](C)c1ccc(C#N)c(NC)n1 50871305 351555352 /nfs/dbraw/zinc/55/53/52/351555352.db2.gz LLIYXCYEQOYJBI-MRVPVSSYSA-N 0 0 189.262 2.508 10 30 AFEERN CC[C@@H](C)Nc1ccc(F)c(C#N)c1 51634994 351557550 /nfs/dbraw/zinc/55/75/50/351557550.db2.gz AOIJFMIXFKBKRD-MRVPVSSYSA-N 0 0 192.237 2.908 10 30 AFEERN CC#CCC(=O)c1ccc(C)cc1 51664527 351558325 /nfs/dbraw/zinc/55/83/25/351558325.db2.gz WEDMDZHMUSGTSI-UHFFFAOYSA-N 0 0 172.227 2.591 10 30 AFEERN CC#CCC(=O)c1ccc(Cl)cc1 51664520 351558368 /nfs/dbraw/zinc/55/83/68/351558368.db2.gz XWZGGGXKHCBVNO-UHFFFAOYSA-N 0 0 192.645 2.936 10 30 AFEERN CCOc1cccc(Cl)c1C#N 52909042 351569232 /nfs/dbraw/zinc/56/92/32/351569232.db2.gz MXJYARUABCVQLQ-UHFFFAOYSA-N 0 0 181.622 2.610 10 30 AFEERN COc1cccc(S[C@H](C)C#N)c1 54918272 351576167 /nfs/dbraw/zinc/57/61/67/351576167.db2.gz FUBKAHIUTRLJJK-MRVPVSSYSA-N 0 0 193.271 2.699 10 30 AFEERN COc1cccc(S[C@@H](C)C#N)c1 54918271 351576287 /nfs/dbraw/zinc/57/62/87/351576287.db2.gz FUBKAHIUTRLJJK-QMMMGPOBSA-N 0 0 193.271 2.699 10 30 AFEERN Cc1cccc(CSCC#N)c1 54965694 351576710 /nfs/dbraw/zinc/57/67/10/351576710.db2.gz CBPVRNBLFJOINW-UHFFFAOYSA-N 0 0 177.272 2.752 10 30 AFEERN CC[C@@H](C)Oc1cccc(F)c1C#N 62567715 351588943 /nfs/dbraw/zinc/58/89/43/351588943.db2.gz ZOZYLVRSWJLPCH-MRVPVSSYSA-N 0 0 193.221 2.875 10 30 AFEERN C[C@H](C#N)N1CCC2(CCCC2)CC1 62953854 351590944 /nfs/dbraw/zinc/59/09/44/351590944.db2.gz SHNPLVFWRSPXSG-LLVKDONJSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@@H](C#N)N1CCC2(CCCC2)CC1 62953853 351591022 /nfs/dbraw/zinc/59/10/22/351591022.db2.gz SHNPLVFWRSPXSG-NSHDSACASA-N 0 0 192.306 2.555 10 30 AFEERN C#CCNc1c(C)cccc1CC 68990813 351597186 /nfs/dbraw/zinc/59/71/86/351597186.db2.gz BWCQXAJQPOHAKS-UHFFFAOYSA-N 0 0 173.259 2.603 10 30 AFEERN C#CCNc1ccccc1SCC 68990931 351597442 /nfs/dbraw/zinc/59/74/42/351597442.db2.gz YGRQNANHYXRVDO-UHFFFAOYSA-N 0 0 191.299 2.844 10 30 AFEERN C=C(C)Cn1ccnc1C(C)C 69950218 351600782 /nfs/dbraw/zinc/60/07/82/351600782.db2.gz BIZZGBSVJNFGAQ-UHFFFAOYSA-N 0 0 164.252 2.583 10 30 AFEERN C[C@H](C#N)Sc1ccc(Cl)cn1 70203141 351602774 /nfs/dbraw/zinc/60/27/74/351602774.db2.gz ARAVSUYPOFAXBN-ZCFIWIBFSA-N 0 0 198.678 2.739 10 30 AFEERN C[C@@H](C#N)Sc1ccc(Cl)cn1 70203138 351602818 /nfs/dbraw/zinc/60/28/18/351602818.db2.gz ARAVSUYPOFAXBN-LURJTMIESA-N 0 0 198.678 2.739 10 30 AFEERN CCSc1ccc(C)cc1C#N 71454347 351610962 /nfs/dbraw/zinc/61/09/62/351610962.db2.gz PQHVASSMLYTHBI-UHFFFAOYSA-N 0 0 177.272 2.979 10 30 AFEERN C=C(C)Cn1ccc2ccccc2c1=O 71514354 351612967 /nfs/dbraw/zinc/61/29/67/351612967.db2.gz AQRRJTFNFAAUIS-UHFFFAOYSA-N 0 0 199.253 2.578 10 30 AFEERN COc1ccc2c(CC#N)cccc2c1 80927140 351632046 /nfs/dbraw/zinc/63/20/46/351632046.db2.gz SWHZTVGQHSGTBT-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN CCC(C)(C)Nc1cccc(C#N)n1 81615729 351633163 /nfs/dbraw/zinc/63/31/63/351633163.db2.gz DYDZKMWYBTXRLX-UHFFFAOYSA-N 0 0 189.262 2.554 10 30 AFEERN C[C@@H]1CC(C#N)C[C@H](C)C1 82830606 351642329 /nfs/dbraw/zinc/64/23/29/351642329.db2.gz JEZCNMKKLFSZFR-JVHMLUBASA-N 0 0 137.226 2.582 10 30 AFEERN CC(C)c1ccccc1N(C)CC#N 83966192 351648912 /nfs/dbraw/zinc/64/89/12/351648912.db2.gz GEYXJXLCUGGJFL-UHFFFAOYSA-N 0 0 188.274 2.770 10 30 AFEERN C[C@H](C#N)Sc1cccc(F)c1 87111989 351658630 /nfs/dbraw/zinc/65/86/30/351658630.db2.gz HEZGXBDAJPBRRQ-SSDOTTSWSA-N 0 0 181.235 2.830 10 30 AFEERN C[C@@H](C#N)Sc1cccc(F)c1 87111988 351659217 /nfs/dbraw/zinc/65/92/17/351659217.db2.gz HEZGXBDAJPBRRQ-ZETCQYMHSA-N 0 0 181.235 2.830 10 30 AFEERN [N-]=[N+]=Nc1ccc(Cl)cn1 87667380 351660842 /nfs/dbraw/zinc/66/08/42/351660842.db2.gz UAWAHMOAEOICGY-UHFFFAOYSA-N 0 0 154.560 2.677 10 30 AFEERN [N-]=[N+]=Nc1cnc2[nH]ccc2c1F 90366897 351664097 /nfs/dbraw/zinc/66/40/97/351664097.db2.gz DKIVJVRLZLDGIK-UHFFFAOYSA-N 0 0 177.142 2.644 10 30 AFEERN SCc1nc2ccccc2s1 95931673 351676461 /nfs/dbraw/zinc/67/64/61/351676461.db2.gz OTIQKQSVRZRATN-UHFFFAOYSA-N 0 0 181.285 2.726 10 30 AFEERN SCc1occ2ccccc12 95931672 351676517 /nfs/dbraw/zinc/67/65/17/351676517.db2.gz FUKSGYFDNKVUFH-UHFFFAOYSA-N 0 0 164.229 2.863 10 30 AFEERN CCS[C@@H](C)C/C=C\C(C)=O 95933178 351677163 /nfs/dbraw/zinc/67/71/63/351677163.db2.gz WZHZGZNRMBGZCR-UDIARPCQSA-N 0 0 172.293 2.663 10 30 AFEERN CCS[C@H](C)C/C=C\C(C)=O 95933179 351677406 /nfs/dbraw/zinc/67/74/06/351677406.db2.gz WZHZGZNRMBGZCR-SSJHQANKSA-N 0 0 172.293 2.663 10 30 AFEERN CC[C@@H](C)/C(=N\O)c1ccccc1 100243163 351693076 /nfs/dbraw/zinc/69/30/76/351693076.db2.gz ZWXGJRIWYWRUFF-JFJDQEMCSA-N 0 0 177.247 2.911 10 30 AFEERN CC(C)C1=CC[C@@H](C)C/C1=N/O 100267215 351693769 /nfs/dbraw/zinc/69/37/69/351693769.db2.gz NKTMRRGTDXWPOK-OZEWEUHLSA-N 0 0 167.252 2.829 10 30 AFEERN C=CCCCCCC[C@H](C)O 139837526 351744323 /nfs/dbraw/zinc/74/43/23/351744323.db2.gz JBAYWUMDFPCBDF-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN C=C(CC)Cn1cnc2c1CCCC2 124059491 351730233 /nfs/dbraw/zinc/73/02/33/351730233.db2.gz HBYJMASUNICDLC-UHFFFAOYSA-N 0 0 190.290 2.728 10 30 AFEERN C=C[C@H](C)Nc1ncnc2ccccc12 130634699 351735370 /nfs/dbraw/zinc/73/53/70/351735370.db2.gz RRGLHKAOGXSRPR-VIFPVBQESA-N 0 0 199.257 2.616 10 30 AFEERN C=C[C@@H](C)Nc1ncnc2ccccc12 130634903 351736305 /nfs/dbraw/zinc/73/63/05/351736305.db2.gz RRGLHKAOGXSRPR-SECBINFHSA-N 0 0 199.257 2.616 10 30 AFEERN O/N=C1/C=C2c3ccccc3C[C@@H]2CC1 149532444 351750200 /nfs/dbraw/zinc/75/02/00/351750200.db2.gz RFSDBGIAVGTFSG-AYDSOBSRSA-N 0 0 199.253 2.866 10 30 AFEERN C=C[C@@H](O)[Si](CC)(CC)CC 197056600 351777567 /nfs/dbraw/zinc/77/75/67/351777567.db2.gz UMYJWFCEFLAQPP-VIFPVBQESA-N 0 0 172.344 2.581 10 30 AFEERN C=C[C@H](O)[Si](CC)(CC)CC 197056609 351777821 /nfs/dbraw/zinc/77/78/21/351777821.db2.gz UMYJWFCEFLAQPP-SECBINFHSA-N 0 0 172.344 2.581 10 30 AFEERN C=CC[C@]1(C)CCC[C@H](C)C1=O 197154353 351778175 /nfs/dbraw/zinc/77/81/75/351778175.db2.gz BTMGAPAMMSLTAU-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@]1(C)CCC[C@H](C)C1=O 197154368 351778190 /nfs/dbraw/zinc/77/81/90/351778190.db2.gz BTMGAPAMMSLTAU-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@](C)(CC=O)CCCC(C)(C)O 197164173 351778207 /nfs/dbraw/zinc/77/82/07/351778207.db2.gz RMSSTDDQDYGBHH-LBPRGKRZSA-N 0 0 198.306 2.709 10 30 AFEERN C=CC[C@H]1CCC[C@H](C)O1 203261290 351782911 /nfs/dbraw/zinc/78/29/11/351782911.db2.gz IVHRWUFXMKDPFB-IUCAKERBSA-N 0 0 140.226 2.520 10 30 AFEERN COc1ccc(C#N)c2sccc12 203888510 351783745 /nfs/dbraw/zinc/78/37/45/351783745.db2.gz WPJKOIAWYYIZSU-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN C=C[C@@H](c1ccccc1)[C@@H](C)CO 205259749 351784474 /nfs/dbraw/zinc/78/44/74/351784474.db2.gz GMWLYTVDKYZZFO-CMPLNLGQSA-N 0 0 176.259 2.585 10 30 AFEERN C=CCCP(C)c1ccccc1 205245705 351784530 /nfs/dbraw/zinc/78/45/30/351784530.db2.gz VZOSYILAJWCGBV-UHFFFAOYSA-N 0 0 178.215 3.000 10 30 AFEERN C=C[C@@H]1OC2(CCCC2)OC1(C)C 205248493 351784665 /nfs/dbraw/zinc/78/46/65/351784665.db2.gz ULJHYUUCCUUAJQ-VIFPVBQESA-N 0 0 182.263 2.637 10 30 AFEERN C=C(C)N(CCCC)C(=O)OCC 214471849 351786170 /nfs/dbraw/zinc/78/61/70/351786170.db2.gz WIEAQJTUMKVZOQ-UHFFFAOYSA-N 0 0 185.267 2.779 10 30 AFEERN Cc1c(C#N)ccc(Cl)c1F 220106848 351791814 /nfs/dbraw/zinc/79/18/14/351791814.db2.gz AFWASQJXNHFWSC-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CC(=O)/C(C)=C/c1ccncc1Cl 220103705 351791928 /nfs/dbraw/zinc/79/19/28/351791928.db2.gz XWQXRKLEZJPWGC-FNORWQNLSA-N 0 0 195.649 2.727 10 30 AFEERN COc1ccc(CON=C(C)C)cc1 223511399 351795533 /nfs/dbraw/zinc/79/55/33/351795533.db2.gz PAUHINZYZZHROO-UHFFFAOYSA-N 0 0 193.246 2.608 10 30 AFEERN Cc1ccc(C)c(/C(Cl)=N/O)c1 226195915 351801661 /nfs/dbraw/zinc/80/16/61/351801661.db2.gz IUEPYGXIDUXCHM-LUAWRHEFSA-N 0 0 183.638 2.678 10 30 AFEERN C=CCNC(=O)[C@H]1CCCCC1(C)C 226622906 351802135 /nfs/dbraw/zinc/80/21/35/351802135.db2.gz LFQXEFUGPZMWHQ-SNVBAGLBSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCNC(=O)[C@@H]1CCCCC1(C)C 226622900 351802144 /nfs/dbraw/zinc/80/21/44/351802144.db2.gz LFQXEFUGPZMWHQ-JTQLQIEISA-N 0 0 195.306 2.505 10 30 AFEERN CCC(O)(CC)CCCCCC=O 231473551 351812441 /nfs/dbraw/zinc/81/24/41/351812441.db2.gz OCSZUVPZCDMFPH-UHFFFAOYSA-N 0 0 186.295 2.687 10 30 AFEERN C=C(C)C[C@@H](O)c1ncccc1Cl 232456924 351814565 /nfs/dbraw/zinc/81/45/65/351814565.db2.gz MMEUNORBDBTKIX-SECBINFHSA-N 0 0 197.665 2.735 10 30 AFEERN C#C[C@H](C)Nc1cc(F)c(C)cc1F 235516865 351816600 /nfs/dbraw/zinc/81/66/00/351816600.db2.gz UAVDRALRKCVDIV-QMMMGPOBSA-N 0 0 195.212 2.707 10 30 AFEERN C=C[C@H](C)Nc1cc(F)cc(F)c1 235520945 351816685 /nfs/dbraw/zinc/81/66/85/351816685.db2.gz DDBCBRLBLRLRRD-ZETCQYMHSA-N 0 0 183.201 2.951 10 30 AFEERN C=C[C@H](C)Nc1cc(C#N)ccc1C 235516485 351816699 /nfs/dbraw/zinc/81/66/99/351816699.db2.gz LSEOHISWGZJLKM-JTQLQIEISA-N 0 0 186.258 2.853 10 30 AFEERN C=C[C@H](C)Nc1ccsc1 235521884 351816736 /nfs/dbraw/zinc/81/67/36/351816736.db2.gz NPXVVLWZDXQGPC-ZETCQYMHSA-N 0 0 153.250 2.735 10 30 AFEERN Cc1cc(F)c(NCCC#N)cc1F 235881226 351817042 /nfs/dbraw/zinc/81/70/42/351817042.db2.gz UUCGNBZDDFRDLP-UHFFFAOYSA-N 0 0 196.200 2.599 10 30 AFEERN Cc1ccc(NC2CCC2)c(C#N)c1 235884984 351817103 /nfs/dbraw/zinc/81/71/03/351817103.db2.gz PSIMWZGVCTZOKZ-UHFFFAOYSA-N 0 0 186.258 2.831 10 30 AFEERN C=CCNc1cc(F)c(C)cc1F 235881135 351817467 /nfs/dbraw/zinc/81/74/67/351817467.db2.gz IQGPFSPASHZIJK-UHFFFAOYSA-N 0 0 183.201 2.871 10 30 AFEERN C=CC(=O)c1c[nH]c2ccc(C)cc12 235898451 351818101 /nfs/dbraw/zinc/81/81/01/351818101.db2.gz PQPFVVKEIMXLNN-UHFFFAOYSA-N 0 0 185.226 2.845 10 30 AFEERN CCOc1cc(CC#N)c(F)cc1C 238264237 351819466 /nfs/dbraw/zinc/81/94/66/351819466.db2.gz XUBMGCIVFHRJFE-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCC[C@H](C=O)c1ccc(F)cc1 238262945 351819472 /nfs/dbraw/zinc/81/94/72/351819472.db2.gz SUBLOPPQBZFCBD-SNVBAGLBSA-N 0 0 180.222 2.908 10 30 AFEERN CCOc1cc(CC)cc(C#N)c1F 238264360 351819620 /nfs/dbraw/zinc/81/96/20/351819620.db2.gz AZPVHBDIMFWLJU-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCCCc1ccc(/C=N/O)cc1 238264951 351819651 /nfs/dbraw/zinc/81/96/51/351819651.db2.gz UWZNOZQEMOSZQD-FMIVXFBMSA-N 0 0 177.247 2.837 10 30 AFEERN C=C[C@@]1(CC)CCCCC1=O 238308735 351820258 /nfs/dbraw/zinc/82/02/58/351820258.db2.gz NPXODIVOWOZNEM-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN ON=Cc1cccc2ccccc12 242473226 351827621 /nfs/dbraw/zinc/82/76/21/351827621.db2.gz FCTGROAUXINHMH-UHFFFAOYSA-N 0 0 171.199 2.648 10 30 AFEERN ON=C1CCCC#CCCCC1 242522364 351827813 /nfs/dbraw/zinc/82/78/13/351827813.db2.gz IPNXBIUNRHVWMX-UHFFFAOYSA-N 0 0 165.236 2.564 10 30 AFEERN ON=C1CCCSc2ccccc21 250864671 351833467 /nfs/dbraw/zinc/83/34/67/351833467.db2.gz VFJJDUKSHZJVKP-UHFFFAOYSA-N 0 0 193.271 2.751 10 30 AFEERN CC(C)c1ccc(C=NO)cc1 252370078 351838114 /nfs/dbraw/zinc/83/81/14/351838114.db2.gz NVKXBDITZDURNJ-UHFFFAOYSA-N 0 0 163.220 2.618 10 30 AFEERN ON=Cc1cc(Cl)cc(Cl)c1 252469966 351838356 /nfs/dbraw/zinc/83/83/56/351838356.db2.gz AVZFLLLFEIZFGB-UHFFFAOYSA-N 0 0 190.029 2.802 10 30 AFEERN CC1(C)C(=NO)[C@]2(C)CC[C@H]1C2 252462080 351838583 /nfs/dbraw/zinc/83/85/83/351838583.db2.gz POYGWXWGOBEMAT-OIBJUYFYSA-N 0 0 167.252 2.663 10 30 AFEERN CC(=NO)c1ccc(C)c(C)c1 252470035 351838657 /nfs/dbraw/zinc/83/86/57/351838657.db2.gz OXZFANMLYZGRGL-UHFFFAOYSA-N 0 0 163.220 2.502 10 30 AFEERN CCc1cc(CC#N)c(C)cc1F 257932837 351855365 /nfs/dbraw/zinc/85/53/65/351855365.db2.gz BVWVPZIQIXMLNW-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CSc1cc(CC#N)c(F)cc1C 257953880 351856005 /nfs/dbraw/zinc/85/60/05/351856005.db2.gz BDXAUXGNJKLQCH-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CCOc1c(C#N)ccc(C)c1C 257988610 351856655 /nfs/dbraw/zinc/85/66/55/351856655.db2.gz KJVHTJAVKYXYGL-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN Cc1cc(C#N)cc(F)c1C(F)F 257981418 351856688 /nfs/dbraw/zinc/85/66/88/351856688.db2.gz DRMSSARORFFQOV-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN COc1c(C#N)cc(C)cc1C(F)F 258030299 351857299 /nfs/dbraw/zinc/85/72/99/351857299.db2.gz IZADHPCOJCPLQG-UHFFFAOYSA-N 0 0 197.184 2.813 10 30 AFEERN N#CCc1cc(F)c(F)c(Cl)c1 258024655 351857427 /nfs/dbraw/zinc/85/74/27/351857427.db2.gz ILLQHXXDTUFLAN-UHFFFAOYSA-N 0 0 187.576 2.684 10 30 AFEERN CSc1ccc(C#N)c(F)c1F 258021543 351857454 /nfs/dbraw/zinc/85/74/54/351857454.db2.gz IELMTCXGVZIJLB-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN Cc1cc(F)c(Cl)cc1C#N 258012116 351857474 /nfs/dbraw/zinc/85/74/74/351857474.db2.gz NAPXFAJPICKSQV-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN Cc1cc(C#N)cc(Cl)c1F 257996990 351857476 /nfs/dbraw/zinc/85/74/76/351857476.db2.gz LIKFEWQUIDPALE-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CCc1cc(F)c(F)c(CC#N)c1 258021932 351857554 /nfs/dbraw/zinc/85/75/54/351857554.db2.gz ODECUBNIRQDZJI-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN CSc1cc(F)cc(C#N)c1F 258019127 351857648 /nfs/dbraw/zinc/85/76/48/351857648.db2.gz IAJMEUKOTMMUNO-UHFFFAOYSA-N 0 0 185.198 2.558 10 30 AFEERN Cc1cc(Cl)c(F)c(C#N)c1 258044408 351858020 /nfs/dbraw/zinc/85/80/20/351858020.db2.gz QKTZQQCGCONASC-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN Cc1cc(C#N)c(O)c(C(F)F)c1 258050541 351858187 /nfs/dbraw/zinc/85/81/87/351858187.db2.gz KRBNQIGTTHZRED-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN CCc1cc(C)c(C)c(CC#N)c1 258070518 351858434 /nfs/dbraw/zinc/85/84/34/351858434.db2.gz UNJMTOYTZJCDMX-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN Cc1cc(Cl)cc(C#N)c1F 258058327 351858462 /nfs/dbraw/zinc/85/84/62/351858462.db2.gz SIJWWAARQJWBRZ-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CCc1cc(C#N)c(C)cc1F 258070469 351858524 /nfs/dbraw/zinc/85/85/24/351858524.db2.gz UJXGBMLYBDKARW-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCc1ccc(F)c(CC#N)c1F 258056273 351858545 /nfs/dbraw/zinc/85/85/45/351858545.db2.gz SAKWAWIDCAFIPB-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN N#Cc1cc(C(F)F)cc(F)c1F 258126518 351859719 /nfs/dbraw/zinc/85/97/19/351859719.db2.gz RCYSXPDLOBXVMN-UHFFFAOYSA-N 0 0 189.111 2.774 10 30 AFEERN Cc1cc(C#N)cc(C(F)F)c1O 258171128 351860648 /nfs/dbraw/zinc/86/06/48/351860648.db2.gz VVOLDHRDGPIHRS-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1ccc(CC#N)c(Cl)c1F 258165869 351860700 /nfs/dbraw/zinc/86/07/00/351860700.db2.gz VMCWLHQMDJXRSL-UHFFFAOYSA-N 0 0 183.613 2.854 10 30 AFEERN N#C[C@]1(C2CCCCC2)CCCCN1 258564587 351864311 /nfs/dbraw/zinc/86/43/11/351864311.db2.gz FXNIWKMHZPFAJP-LBPRGKRZSA-N 0 0 192.306 2.603 10 30 AFEERN N#C[C@@]1(C2CCCCC2)CCCCN1 258564583 351864363 /nfs/dbraw/zinc/86/43/63/351864363.db2.gz FXNIWKMHZPFAJP-GFCCVEGCSA-N 0 0 192.306 2.603 10 30 AFEERN CC(C)CCC1(C#N)CC1 259120578 351869704 /nfs/dbraw/zinc/86/97/04/351869704.db2.gz LASJCZILVFNNFT-UHFFFAOYSA-N 0 0 137.226 2.726 10 30 AFEERN COc1cccc(CC2(C#N)CC2)c1 259120665 351869878 /nfs/dbraw/zinc/86/98/78/351869878.db2.gz LBTIPPWOABYKBT-UHFFFAOYSA-N 0 0 187.242 2.541 10 30 AFEERN Cc1cccc(CC2(C#N)CC2)c1 259137901 351870218 /nfs/dbraw/zinc/87/02/18/351870218.db2.gz MENCJIRJTCQMEX-UHFFFAOYSA-N 0 0 171.243 2.841 10 30 AFEERN CC(C)c1nc(CCS)cs1 259168810 351870509 /nfs/dbraw/zinc/87/05/09/351870509.db2.gz FIYHWPDRFMQNRT-UHFFFAOYSA-N 0 0 187.333 2.739 10 30 AFEERN CC(C)(C)c1nc(CCC#N)cs1 259319544 351872890 /nfs/dbraw/zinc/87/28/90/351872890.db2.gz OGFJDSCJIILBBV-UHFFFAOYSA-N 0 0 194.303 2.897 10 30 AFEERN N#CC1(C2CCCCC2)CCOCC1 259557350 351875840 /nfs/dbraw/zinc/87/58/40/351875840.db2.gz ABVCMBKGBIQGOX-UHFFFAOYSA-N 0 0 193.290 2.887 10 30 AFEERN N#Cc1sccc1C(F)(F)F 259553117 351876235 /nfs/dbraw/zinc/87/62/35/351876235.db2.gz BUOIGJPLJLIQSG-UHFFFAOYSA-N 0 0 177.150 2.639 10 30 AFEERN N#C[C@@]1(CC2CCCC2)CCCCN1 260029118 351882438 /nfs/dbraw/zinc/88/24/38/351882438.db2.gz HQZDHEMAWFLESM-LBPRGKRZSA-N 0 0 192.306 2.603 10 30 AFEERN N#C[C@]1(CC2CCCC2)CCCCN1 260029114 351882661 /nfs/dbraw/zinc/88/26/61/351882661.db2.gz HQZDHEMAWFLESM-GFCCVEGCSA-N 0 0 192.306 2.603 10 30 AFEERN Cc1ccccc1OCC1(C#N)CC1 260037258 351882811 /nfs/dbraw/zinc/88/28/11/351882811.db2.gz IAHRXGMHFWNPSA-UHFFFAOYSA-N 0 0 187.242 2.678 10 30 AFEERN N#Cc1ccc(C2CCC2)nc1Cl 260202526 351884080 /nfs/dbraw/zinc/88/40/80/351884080.db2.gz AANVTKXAEVFTQA-UHFFFAOYSA-N 0 0 192.649 2.874 10 30 AFEERN CC(C)O[C@](C)(C#N)C1CCCC1 260275580 351884379 /nfs/dbraw/zinc/88/43/79/351884379.db2.gz ZYEAAZSYJCXHBF-LLVKDONJSA-N 0 0 181.279 2.884 10 30 AFEERN Cc1cccc(OCC2(C#N)CC2)c1 260396288 351884991 /nfs/dbraw/zinc/88/49/91/351884991.db2.gz OFCMALFCSGVFRO-UHFFFAOYSA-N 0 0 187.242 2.678 10 30 AFEERN Cc1ccc(OCC2(C#N)CC2)cc1 260362157 351884992 /nfs/dbraw/zinc/88/49/92/351884992.db2.gz MIGPFDKHTCWJJQ-UHFFFAOYSA-N 0 0 187.242 2.678 10 30 AFEERN CC(C)O[C@@](C)(C#N)C1CCCC1 260275583 351885056 /nfs/dbraw/zinc/88/50/56/351885056.db2.gz ZYEAAZSYJCXHBF-NSHDSACASA-N 0 0 181.279 2.884 10 30 AFEERN N#Cc1ccc(CS)c(Cl)c1 260785046 351886280 /nfs/dbraw/zinc/88/62/80/351886280.db2.gz JSXPHWNYUVYWHQ-UHFFFAOYSA-N 0 0 183.663 2.641 10 30 AFEERN Cc1ccccc1N(CC#N)C(C)C 261035143 351888159 /nfs/dbraw/zinc/88/81/59/351888159.db2.gz BNDUSPUMMVIQFQ-UHFFFAOYSA-N 0 0 188.274 2.733 10 30 AFEERN Cc1c(C#N)ccc(F)c1Cl 261044896 351888399 /nfs/dbraw/zinc/88/83/99/351888399.db2.gz DKKNVYIIDZOEDZ-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN Cc1c(Cl)ccc(F)c1C#N 261124699 351888954 /nfs/dbraw/zinc/88/89/54/351888954.db2.gz JOUXDUQMMJTNGI-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CC1CCC(N(CC#N)C2CC2)CC1 261106348 351889016 /nfs/dbraw/zinc/88/90/16/351889016.db2.gz FWACGKITHAECFW-UHFFFAOYSA-N 0 0 192.306 2.553 10 30 AFEERN Cc1cc(Cl)c(F)cc1C#N 261129793 351889061 /nfs/dbraw/zinc/88/90/61/351889061.db2.gz LEHQIKOTFAACPS-UHFFFAOYSA-N 0 0 169.586 2.659 10 30 AFEERN CO[C@@H]1CCC[C@H](C(C)(C)C#N)C1 261158256 351889497 /nfs/dbraw/zinc/88/94/97/351889497.db2.gz VGUJFSGNUSLGJY-VHSXEESVSA-N 0 0 181.279 2.741 10 30 AFEERN CO[C@H]1CCC[C@@H](C(C)(C)C#N)C1 261158257 351889573 /nfs/dbraw/zinc/88/95/73/351889573.db2.gz VGUJFSGNUSLGJY-ZJUUUORDSA-N 0 0 181.279 2.741 10 30 AFEERN CO[C@@H]1CCC[C@@H](C(C)(C)C#N)C1 261158254 351889852 /nfs/dbraw/zinc/88/98/52/351889852.db2.gz VGUJFSGNUSLGJY-NXEZZACHSA-N 0 0 181.279 2.741 10 30 AFEERN CO[C@H]1CCC[C@H](C(C)(C)C#N)C1 261158255 351889866 /nfs/dbraw/zinc/88/98/66/351889866.db2.gz VGUJFSGNUSLGJY-UWVGGRQHSA-N 0 0 181.279 2.741 10 30 AFEERN N#CC1(C2CCOCC2)CCCCC1 261246562 351890245 /nfs/dbraw/zinc/89/02/45/351890245.db2.gz COYWBKQWTUCWNK-UHFFFAOYSA-N 0 0 193.290 2.887 10 30 AFEERN CCOc1c(F)cc(C)cc1CC#N 261240108 351890264 /nfs/dbraw/zinc/89/02/64/351890264.db2.gz ZQVAOMWCNBPOMG-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN Cc1ccc(C2(C#N)CCCC2)nc1 261241544 351890425 /nfs/dbraw/zinc/89/04/25/351890425.db2.gz AXKPVHRSSJCAEL-UHFFFAOYSA-N 0 0 186.258 2.725 10 30 AFEERN C[C@@H](O)CC1(C#N)CCCCCC1 261319776 351891244 /nfs/dbraw/zinc/89/12/44/351891244.db2.gz HIEITWRDQZHTGT-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN N#CCNc1ccc(C(F)F)cc1 261331392 351891249 /nfs/dbraw/zinc/89/12/49/351891249.db2.gz VDPDWRKCKRJQCJ-UHFFFAOYSA-N 0 0 182.173 2.560 10 30 AFEERN C[C@H](O)CC1(C#N)CCCCCC1 261319775 351891301 /nfs/dbraw/zinc/89/13/01/351891301.db2.gz HIEITWRDQZHTGT-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN C=C(C)CSc1ccccn1 306237882 351911799 /nfs/dbraw/zinc/91/17/99/351911799.db2.gz GDEUEDDIAAFZFO-UHFFFAOYSA-N 0 0 165.261 2.750 10 30 AFEERN C=CCNc1nccc2ccsc12 306286921 351916291 /nfs/dbraw/zinc/91/62/91/351916291.db2.gz GRCBVHSEZAGHOR-UHFFFAOYSA-N 0 0 190.271 2.894 10 30 AFEERN O=C(C#Cc1ccccc1)c1ccoc1 306314423 351919584 /nfs/dbraw/zinc/91/95/84/351919584.db2.gz PTPNKLUQMPBRAJ-UHFFFAOYSA-N 0 0 196.205 2.514 10 30 AFEERN CC(C)Nc1cccc(CC#N)c1 306400175 351925465 /nfs/dbraw/zinc/92/54/65/351925465.db2.gz ADJPDDJYRHRJIE-UHFFFAOYSA-N 0 0 174.247 2.573 10 30 AFEERN C[C@H](C#N)N1CCC2(CCCCC2)C1 306412692 351926967 /nfs/dbraw/zinc/92/69/67/351926967.db2.gz RDCWCPNGEKCMDV-LLVKDONJSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@@H](C#N)N1CCC2(CCCCC2)C1 306412693 351926985 /nfs/dbraw/zinc/92/69/85/351926985.db2.gz RDCWCPNGEKCMDV-NSHDSACASA-N 0 0 192.306 2.555 10 30 AFEERN C=C/C=C/C1=C(C)C(=O)CCC1 306437019 351929672 /nfs/dbraw/zinc/92/96/72/351929672.db2.gz DOJMOEPENVOFNV-GQCTYLIASA-N 0 0 162.232 2.798 10 30 AFEERN C=CCN1Cc2cccc(Cl)c2C1 306504960 351939043 /nfs/dbraw/zinc/93/90/43/351939043.db2.gz DTJIEFKNOJYYTA-UHFFFAOYSA-N 0 0 193.677 2.842 10 30 AFEERN C=CCNc1nc2c(F)cccc2o1 306676026 351955243 /nfs/dbraw/zinc/95/52/43/351955243.db2.gz UZRYBBYBQUCKLF-UHFFFAOYSA-N 0 0 192.193 2.565 10 30 AFEERN C=C(C)CCn1cc(Cl)cn1 306690005 351956469 /nfs/dbraw/zinc/95/64/69/351956469.db2.gz LPBYUHSOJKPBQQ-UHFFFAOYSA-N 0 0 170.643 2.503 10 30 AFEERN C=C(C)CCn1ncc(Cl)c1C 307126963 351988367 /nfs/dbraw/zinc/98/83/67/351988367.db2.gz BXKBORUKJMEUIN-UHFFFAOYSA-N 0 0 184.670 2.811 10 30 AFEERN C#CCC1(C#N)CCCCCC1 307521102 352019444 /nfs/dbraw/zinc/01/94/44/352019444.db2.gz SUAJUIFIBQQQLA-UHFFFAOYSA-N 0 0 161.248 2.874 10 30 AFEERN C=CCC1(C#N)CCCC1 307640555 352027930 /nfs/dbraw/zinc/02/79/30/352027930.db2.gz HJKDTJXEMIGUOH-UHFFFAOYSA-N 0 0 135.210 2.646 10 30 AFEERN C=CCCSc1nnc(C)s1 307640398 352027937 /nfs/dbraw/zinc/02/79/37/352027937.db2.gz FWZWLIWWEJYBMX-UHFFFAOYSA-N 0 0 186.305 2.515 10 30 AFEERN C/C=C/CSCC1(C#N)CC1 307640778 352028003 /nfs/dbraw/zinc/02/80/03/352028003.db2.gz HJZQRXSBKQLOIR-NSCUHMNNSA-N 0 0 167.277 2.599 10 30 AFEERN CC#CCSCCC(F)(F)F 307640943 352028088 /nfs/dbraw/zinc/02/80/88/352028088.db2.gz HYFIQPBWQHJTJX-UHFFFAOYSA-N 0 0 182.210 2.695 10 30 AFEERN CC[C@@H](C)[C@@]1(C#N)CCC(C)(C)C1=O 307757054 352039303 /nfs/dbraw/zinc/03/93/03/352039303.db2.gz JTKNAKGZYDLZAY-SKDRFNHKSA-N 0 0 193.290 2.932 10 30 AFEERN CC[C@H](C)[C@]1(C#N)CCC(C)(C)C1=O 307757053 352039352 /nfs/dbraw/zinc/03/93/52/352039352.db2.gz JTKNAKGZYDLZAY-JOYOIKCWSA-N 0 0 193.290 2.932 10 30 AFEERN CC[C@@H](C)[C@]1(C#N)CCC(C)(C)C1=O 307757051 352039648 /nfs/dbraw/zinc/03/96/48/352039648.db2.gz JTKNAKGZYDLZAY-BXKDBHETSA-N 0 0 193.290 2.932 10 30 AFEERN CC[C@H](C)[C@@]1(C#N)CCC(C)(C)C1=O 307757052 352039900 /nfs/dbraw/zinc/03/99/00/352039900.db2.gz JTKNAKGZYDLZAY-CABZTGNLSA-N 0 0 193.290 2.932 10 30 AFEERN CC#CCCSC[C@@H]1CCCOC1 308342931 352049399 /nfs/dbraw/zinc/04/93/99/352049399.db2.gz RZJXURMWDNNHGK-LLVKDONJSA-N 0 0 198.331 2.560 10 30 AFEERN CC#CCCSC[C@H]1CCCOC1 308342932 352049579 /nfs/dbraw/zinc/04/95/79/352049579.db2.gz RZJXURMWDNNHGK-NSHDSACASA-N 0 0 198.331 2.560 10 30 AFEERN C=C(C)CSCc1ccnc(C)n1 308338638 352049591 /nfs/dbraw/zinc/04/95/91/352049591.db2.gz PKNDQNBTWIOHHJ-UHFFFAOYSA-N 0 0 194.303 2.594 10 30 AFEERN C=CCN(C)C(=O)C1=CCCCCC1 334377387 352067124 /nfs/dbraw/zinc/06/71/24/352067124.db2.gz GAKNKDPKCDUKJZ-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=CC(C)(C)c1nc(C2(C)CC2)no1 334519824 352073886 /nfs/dbraw/zinc/07/38/86/352073886.db2.gz FZACSBPIHUELDU-UHFFFAOYSA-N 0 0 192.262 2.585 10 30 AFEERN C=CC(C)(C)c1nc([C@H]2C[C@@H]2C)no1 334534699 352074483 /nfs/dbraw/zinc/07/44/83/352074483.db2.gz WBKAWKRKSNHOJV-YUMQZZPRSA-N 0 0 192.262 2.657 10 30 AFEERN C=CC(C)(C)c1nc([C@H]2C[C@H]2C)no1 334534698 352074490 /nfs/dbraw/zinc/07/44/90/352074490.db2.gz WBKAWKRKSNHOJV-SFYZADRCSA-N 0 0 192.262 2.657 10 30 AFEERN C=CC(C)(C)c1nc([C@@H]2C[C@@H]2C)no1 334534697 352074691 /nfs/dbraw/zinc/07/46/91/352074691.db2.gz WBKAWKRKSNHOJV-JGVFFNPUSA-N 0 0 192.262 2.657 10 30 AFEERN C=CC(C)(C)c1nc([C@@H]2C[C@H]2C)no1 334534696 352074922 /nfs/dbraw/zinc/07/49/22/352074922.db2.gz WBKAWKRKSNHOJV-HTQZYQBOSA-N 0 0 192.262 2.657 10 30 AFEERN C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1C 334593700 352076213 /nfs/dbraw/zinc/07/62/13/352076213.db2.gz CVHICXHKLNRWQR-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CCC[C@@H](C)[C@H]1C 334593696 352076458 /nfs/dbraw/zinc/07/64/58/352076458.db2.gz CVHICXHKLNRWQR-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1C[C@@H](C)CC1(C)C 334630314 352077326 /nfs/dbraw/zinc/07/73/26/352077326.db2.gz GYZGTGRAGVRQIP-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1C[C@H](C)CC1(C)C 334630317 352077704 /nfs/dbraw/zinc/07/77/04/352077704.db2.gz GYZGTGRAGVRQIP-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN CC[C@@H](C#N)Sc1ncccc1F 334659431 352078281 /nfs/dbraw/zinc/07/82/81/352078281.db2.gz AOKQWXXZGTZSFW-ZETCQYMHSA-N 0 0 196.250 2.615 10 30 AFEERN CC[C@H](C#N)Sc1ncccc1F 334659430 352078353 /nfs/dbraw/zinc/07/83/53/352078353.db2.gz AOKQWXXZGTZSFW-SSDOTTSWSA-N 0 0 196.250 2.615 10 30 AFEERN C=CCCC(=O)N1CCCCC[C@H]1C 334747918 352081461 /nfs/dbraw/zinc/08/14/61/352081461.db2.gz GAQWZXIRMZGEES-LLVKDONJSA-N 0 0 195.306 2.744 10 30 AFEERN C=CCCC(=O)N1CCCCC[C@@H]1C 334747919 352081610 /nfs/dbraw/zinc/08/16/10/352081610.db2.gz GAQWZXIRMZGEES-NSHDSACASA-N 0 0 195.306 2.744 10 30 AFEERN CN(CC#N)[C@@H]1CCC[C@@H]1C(C)(C)C 334958583 352086614 /nfs/dbraw/zinc/08/66/14/352086614.db2.gz HBQKDMSNBVVOSP-WDEREUQCSA-N 0 0 194.322 2.657 10 30 AFEERN CN(CC#N)[C@H]1CCC[C@@H]1C(C)(C)C 334958582 352086670 /nfs/dbraw/zinc/08/66/70/352086670.db2.gz HBQKDMSNBVVOSP-QWRGUYRKSA-N 0 0 194.322 2.657 10 30 AFEERN CN(CC#N)[C@H]1CCC[C@H]1C(C)(C)C 334958581 352086675 /nfs/dbraw/zinc/08/66/75/352086675.db2.gz HBQKDMSNBVVOSP-MNOVXSKESA-N 0 0 194.322 2.657 10 30 AFEERN CN(CC#N)[C@@H]1CCC[C@H]1C(C)(C)C 334958580 352086681 /nfs/dbraw/zinc/08/66/81/352086681.db2.gz HBQKDMSNBVVOSP-GHMZBOCLSA-N 0 0 194.322 2.657 10 30 AFEERN C=C(C)C(C)(C)C(=O)N[C@@H]1CC1(C)C 335077618 352088512 /nfs/dbraw/zinc/08/85/12/352088512.db2.gz UTFLOAWXOQJIFV-SECBINFHSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C(C)(C)C(=O)N1[C@@H](C)C[C@H]1C 335087333 352088957 /nfs/dbraw/zinc/08/89/57/352088957.db2.gz UHDGPLRBXUKLNR-AOOOYVTPSA-N 0 0 195.306 2.598 10 30 AFEERN C=C(C)C(C)(C)C(=O)N1[C@@H](C)C[C@@H]1C 335087335 352089122 /nfs/dbraw/zinc/08/91/22/352089122.db2.gz UHDGPLRBXUKLNR-UWVGGRQHSA-N 0 0 195.306 2.598 10 30 AFEERN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H]1C 335111527 352089551 /nfs/dbraw/zinc/08/95/51/352089551.db2.gz FPJRDUNMXYRECC-ZJUUUORDSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H]1C 335111506 352089637 /nfs/dbraw/zinc/08/96/37/352089637.db2.gz FPJRDUNMXYRECC-UWVGGRQHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCCC(=O)N1CC(C)(C)C[C@@H]1C 335219504 352091896 /nfs/dbraw/zinc/09/18/96/352091896.db2.gz BIANYKFLTTXVHA-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CC(C)(C)C[C@H]1C 335219505 352091913 /nfs/dbraw/zinc/09/19/13/352091913.db2.gz BIANYKFLTTXVHA-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN N#C[C@@H]1CC[C@H](SC2CCC2)C1 335229032 352092007 /nfs/dbraw/zinc/09/20/07/352092007.db2.gz DNYPXXIZRYQSGI-SCZZXKLOSA-N 0 0 181.304 2.964 10 30 AFEERN N#C[C@H]1CC[C@@H](SC2CCC2)C1 335229036 352092230 /nfs/dbraw/zinc/09/22/30/352092230.db2.gz DNYPXXIZRYQSGI-WCBMZHEXSA-N 0 0 181.304 2.964 10 30 AFEERN CC1(C)C[C@@H](SCCC#N)CCO1 335233147 352092254 /nfs/dbraw/zinc/09/22/54/352092254.db2.gz HSWCXPNDCZVKTO-VIFPVBQESA-N 0 0 199.319 2.591 10 30 AFEERN N#C[C@H]1CC[C@H](SC2CCC2)C1 335229039 352092280 /nfs/dbraw/zinc/09/22/80/352092280.db2.gz DNYPXXIZRYQSGI-WPRPVWTQSA-N 0 0 181.304 2.964 10 30 AFEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C 335328591 352094809 /nfs/dbraw/zinc/09/48/09/352094809.db2.gz AJJNXNSOKGNFBH-JQWIXIFHSA-N 0 0 195.306 2.600 10 30 AFEERN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C 335328587 352094995 /nfs/dbraw/zinc/09/49/95/352094995.db2.gz AJJNXNSOKGNFBH-CMPLNLGQSA-N 0 0 195.306 2.600 10 30 AFEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C 335328592 352095316 /nfs/dbraw/zinc/09/53/16/352095316.db2.gz AJJNXNSOKGNFBH-PWSUYJOCSA-N 0 0 195.306 2.600 10 30 AFEERN C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C 335328595 352095384 /nfs/dbraw/zinc/09/53/84/352095384.db2.gz AJJNXNSOKGNFBH-ZYHUDNBSSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N1CCCCC1 335776627 352112426 /nfs/dbraw/zinc/11/24/26/352112426.db2.gz KDDKWLLZJMMYIT-NSHDSACASA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N1CCCCC1 335776626 352112750 /nfs/dbraw/zinc/11/27/50/352112750.db2.gz KDDKWLLZJMMYIT-LLVKDONJSA-N 0 0 195.306 2.601 10 30 AFEERN C[C@H]1CN(C(C)(C)C#N)CC(C)(C)C1 335862969 352116194 /nfs/dbraw/zinc/11/61/94/352116194.db2.gz BJXCBEPAEMYSBL-SNVBAGLBSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H]1CN(C(C)(C)C#N)CC(C)(C)C1 335862968 352116490 /nfs/dbraw/zinc/11/64/90/352116490.db2.gz BJXCBEPAEMYSBL-JTQLQIEISA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H](C#N)N1CC=C(C(C)(C)C)CC1 335990205 352121894 /nfs/dbraw/zinc/12/18/94/352121894.db2.gz SKIXCCARVFLTRM-JTQLQIEISA-N 0 0 192.306 2.577 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1C 336041705 352123469 /nfs/dbraw/zinc/12/34/69/352123469.db2.gz CZKWJRREGBWIQQ-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1C 336041708 352123682 /nfs/dbraw/zinc/12/36/82/352123682.db2.gz CZKWJRREGBWIQQ-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=C[C@@](C)(CC)C(=O)N1CCCCC1 336040430 352123863 /nfs/dbraw/zinc/12/38/63/352123863.db2.gz CKROMAJBJSZHDV-LBPRGKRZSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1C 336041707 352123875 /nfs/dbraw/zinc/12/38/75/352123875.db2.gz CZKWJRREGBWIQQ-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1C 336041706 352124001 /nfs/dbraw/zinc/12/40/01/352124001.db2.gz CZKWJRREGBWIQQ-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C[C@H]1CCN(C(C)(C)C#N)C[C@H](C)C1 336138471 352126912 /nfs/dbraw/zinc/12/69/12/352126912.db2.gz VHJJSNCQADQSTO-WDEREUQCSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@H]1C[C@@H](C)CCN(C(C)(C)C#N)C1 336138470 352126974 /nfs/dbraw/zinc/12/69/74/352126974.db2.gz VHJJSNCQADQSTO-QWRGUYRKSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)(C)[C@@H]1CCN(C(C)(C)C#N)C1 336137709 352127041 /nfs/dbraw/zinc/12/70/41/352127041.db2.gz GGMURVBHZVIKPF-SNVBAGLBSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H]1CCN(C(C)(C)C#N)C[C@H](C)C1 336138468 352127084 /nfs/dbraw/zinc/12/70/84/352127084.db2.gz VHJJSNCQADQSTO-GHMZBOCLSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)[C@H]1CCCN(C(C)(C)C#N)C1 336138530 352127114 /nfs/dbraw/zinc/12/71/14/352127114.db2.gz XVTRJNOTZBAURA-NSHDSACASA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)[C@@H]1CCCN(C(C)(C)C#N)C1 336138528 352127276 /nfs/dbraw/zinc/12/72/76/352127276.db2.gz XVTRJNOTZBAURA-LLVKDONJSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H]1CCN(C(C)(C)C#N)C[C@@H](C)C1 336138469 352127380 /nfs/dbraw/zinc/12/73/80/352127380.db2.gz VHJJSNCQADQSTO-MNOVXSKESA-N 0 0 194.322 2.657 10 30 AFEERN CC1(C)CCCCN(C(C)(C)C#N)C1 336136878 352127457 /nfs/dbraw/zinc/12/74/57/352127457.db2.gz WOFNICYYUQWSHK-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)(C)[C@H]1CCN(C(C)(C)C#N)C1 336137708 352127487 /nfs/dbraw/zinc/12/74/87/352127487.db2.gz GGMURVBHZVIKPF-JTQLQIEISA-N 0 0 194.322 2.657 10 30 AFEERN CC1(C)CCCN(C(C)(C)C#N)CC1 336191537 352129359 /nfs/dbraw/zinc/12/93/59/352129359.db2.gz ACERVJIGSNRQJF-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN C[C@@H]1CCN(C(C)(C)C#N)CC1(C)C 336348169 352137840 /nfs/dbraw/zinc/13/78/40/352137840.db2.gz FOOQJNRDYCAZHR-SNVBAGLBSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@H]1CCN(C(C)(C)C#N)CC1(C)C 336348168 352137858 /nfs/dbraw/zinc/13/78/58/352137858.db2.gz FOOQJNRDYCAZHR-JTQLQIEISA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)(C#N)CC[N@@H+]1CCC12CCC2 336355891 352138580 /nfs/dbraw/zinc/13/85/80/352138580.db2.gz LDRZQPAFWBIION-UHFFFAOYSA-N 0 0 192.306 2.555 10 30 AFEERN C=CCCC(=O)N1C[C@H](C)CC[C@@H]1C 336449727 352141031 /nfs/dbraw/zinc/14/10/31/352141031.db2.gz FWNBLLJQZAWXHX-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1C[C@@H](C)CC[C@@H]1C 336449728 352141140 /nfs/dbraw/zinc/14/11/40/352141140.db2.gz FWNBLLJQZAWXHX-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)Cn1ccc(-c2ccccn2)n1 336473139 352142969 /nfs/dbraw/zinc/14/29/69/352142969.db2.gz BBIIAFCPRHFDLS-UHFFFAOYSA-N 0 0 199.257 2.521 10 30 AFEERN CC[C@]1(C)CCCN(C(C)(C)C#N)C1 336541215 352144802 /nfs/dbraw/zinc/14/48/02/352144802.db2.gz XYJCUPILAAXYGC-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@]1(C)CCCN(C(C)(C)C#N)C1 336541216 352144817 /nfs/dbraw/zinc/14/48/17/352144817.db2.gz XYJCUPILAAXYGC-LBPRGKRZSA-N 0 0 194.322 2.801 10 30 AFEERN C=CCC(C)(C)C(=O)N1[C@H](C)C[C@H]1C 336583372 352149197 /nfs/dbraw/zinc/14/91/97/352149197.db2.gz DEDVMTUBENLQFC-NXEZZACHSA-N 0 0 195.306 2.598 10 30 AFEERN C=CCC(C)(C)C(=O)N1[C@@H](C)C[C@@H]1C 336583373 352149665 /nfs/dbraw/zinc/14/96/65/352149665.db2.gz DEDVMTUBENLQFC-UWVGGRQHSA-N 0 0 195.306 2.598 10 30 AFEERN Cc1ccc(SCCCC#N)nc1 379371172 352152944 /nfs/dbraw/zinc/15/29/44/352152944.db2.gz HLLYTAJBPJIKJB-UHFFFAOYSA-N 0 0 192.287 2.786 10 30 AFEERN C=CCSCCC(C)(C)OC 393640114 352154172 /nfs/dbraw/zinc/15/41/72/352154172.db2.gz UDRBMLBRGCOTLV-UHFFFAOYSA-N 0 0 174.309 2.721 10 30 AFEERN C=CCSCCCCCOC 393613991 352154174 /nfs/dbraw/zinc/15/41/74/352154174.db2.gz HWJGZEUETBZIOB-UHFFFAOYSA-N 0 0 174.309 2.722 10 30 AFEERN O=C(/C=C/Cl)c1ccsc1 575462810 352253221 /nfs/dbraw/zinc/25/32/21/352253221.db2.gz UVRDAZQBNXCEII-HNQUOIGGSA-N 0 0 172.636 2.683 10 30 AFEERN C=CCCN1CCC[C@H]1C(F)(F)F 528672599 352180369 /nfs/dbraw/zinc/18/03/69/352180369.db2.gz YVODBWFCQNGYAY-QMMMGPOBSA-N 0 0 193.212 2.589 10 30 AFEERN C=CCOc1ccc2ccccc2c1 575191124 352196038 /nfs/dbraw/zinc/19/60/38/352196038.db2.gz DNOLPRYSEJJQFC-UHFFFAOYSA-N 0 0 183.230 2.868 10 30 AFEERN C=CCOc1c(F)cccc1F 575191164 352196083 /nfs/dbraw/zinc/19/60/83/352196083.db2.gz JMZYYYKHZVHSRS-UHFFFAOYSA-N 0 0 169.150 2.596 10 30 AFEERN C=CCOc1ccccc1Cl 575191175 352196270 /nfs/dbraw/zinc/19/62/70/352196270.db2.gz KZRZXMZYMZOYBP-UHFFFAOYSA-N 0 0 167.615 2.569 10 30 AFEERN C=CCOC(C)(C)c1ccccc1 575182142 352196318 /nfs/dbraw/zinc/19/63/18/352196318.db2.gz NTAQDBRPPHYIFM-UHFFFAOYSA-N 0 0 175.251 2.823 10 30 AFEERN C=CCOc1ccc(F)cc1F 575191253 352196860 /nfs/dbraw/zinc/19/68/60/352196860.db2.gz UYTPASTZCXZIBI-UHFFFAOYSA-N 0 0 169.150 2.596 10 30 AFEERN C=CCCOc1ccc(Cl)cc1 575191327 352196937 /nfs/dbraw/zinc/19/69/37/352196937.db2.gz SYPKAUSXXNFCLQ-UHFFFAOYSA-N 0 0 181.642 2.959 10 30 AFEERN C=CCCOc1cccc(C)c1 575191337 352196970 /nfs/dbraw/zinc/19/69/70/352196970.db2.gz WYCLLMNQRVLBAN-UHFFFAOYSA-N 0 0 161.224 2.782 10 30 AFEERN C=CCCCOc1ccccc1 575191306 352196977 /nfs/dbraw/zinc/19/69/77/352196977.db2.gz IRIUOYQCCIMZFU-UHFFFAOYSA-N 0 0 161.224 2.782 10 30 AFEERN C=CCCOc1ccccc1F 575191318 352196995 /nfs/dbraw/zinc/19/69/95/352196995.db2.gz OQJGIBUNCQJQIJ-UHFFFAOYSA-N 0 0 165.187 2.689 10 30 AFEERN C=CCCOc1cccc(F)c1F 575191323 352197008 /nfs/dbraw/zinc/19/70/08/352197008.db2.gz QZEGEZPDWNYAFU-UHFFFAOYSA-N 0 0 183.177 2.987 10 30 AFEERN C=CCOc1cc(C)cc(C)c1 575191270 352197023 /nfs/dbraw/zinc/19/70/23/352197023.db2.gz WKVWFBDYAHVJAD-UHFFFAOYSA-N 0 0 161.224 2.782 10 30 AFEERN CCCCCCCC(=O)OCC 575242757 352197539 /nfs/dbraw/zinc/19/75/39/352197539.db2.gz KMUHNEZEZXQIGT-UHFFFAOYSA-N 0 0 171.260 2.724 10 30 AFEERN CC(C)COCC(C)(C)CC#N 575419680 352198370 /nfs/dbraw/zinc/19/83/70/352198370.db2.gz MPZXZWWBPDTMOF-UHFFFAOYSA-N 0 0 169.268 2.599 10 30 AFEERN CC(C)(CC#N)COCC(F)(F)F 575419673 352198382 /nfs/dbraw/zinc/19/83/82/352198382.db2.gz KGFXJZPWCDEVMO-UHFFFAOYSA-N 0 0 195.184 2.505 10 30 AFEERN CCCOc1cc(C)cc(C#N)c1 575422979 352198878 /nfs/dbraw/zinc/19/88/78/352198878.db2.gz OUBXJGZQGPFXLS-UHFFFAOYSA-N 0 0 175.231 2.656 10 30 AFEERN Cc1cc(C#N)cc(OCC(C)C)c1 575422365 352199146 /nfs/dbraw/zinc/19/91/46/352199146.db2.gz JOJNUYLAPSTRSA-UHFFFAOYSA-N 0 0 189.258 2.902 10 30 AFEERN N#Cc1ccc(-c2ccccc2)nc1F 575433705 352201579 /nfs/dbraw/zinc/20/15/79/352201579.db2.gz CYBUOQFYLCJXBK-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C#CCOc1cc(C)c(C)c(C)c1 575448952 352207456 /nfs/dbraw/zinc/20/74/56/352207456.db2.gz WLLNQZDTDYKSQC-UHFFFAOYSA-N 0 0 174.243 2.624 10 30 AFEERN CC(F)(F)C(C)(C)CS 575450492 352209845 /nfs/dbraw/zinc/20/98/45/352209845.db2.gz KNVROYVXQXEZLI-UHFFFAOYSA-N 0 0 154.225 2.598 10 30 AFEERN O=C(C=CCl)[C@H]1CCCC1(F)F 575450522 352210438 /nfs/dbraw/zinc/21/04/38/352210438.db2.gz VGZSCZLTZKUWCR-MXTDHUQFSA-N 0 0 194.608 2.743 10 30 AFEERN O=C(C=CCl)[C@@H]1CCCC1(F)F 575450523 352210639 /nfs/dbraw/zinc/21/06/39/352210639.db2.gz VGZSCZLTZKUWCR-QVQDZQDPSA-N 0 0 194.608 2.743 10 30 AFEERN CC(C)=CC(=O)C1CC(C)C1 575451243 352213277 /nfs/dbraw/zinc/21/32/77/352213277.db2.gz WHULOQHBNGBWOS-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN CC(Cl)=CC(=O)c1ccoc1 575451376 352213990 /nfs/dbraw/zinc/21/39/90/352213990.db2.gz WSEQIQODCZZIHJ-UHFFFAOYSA-N 0 0 170.595 2.605 10 30 AFEERN Cc1ncc(C(=O)C2=CCCC2)s1 575451660 352215528 /nfs/dbraw/zinc/21/55/28/352215528.db2.gz XZPKVUTUYZDOMW-UHFFFAOYSA-N 0 0 193.271 2.745 10 30 AFEERN C=C(C)Cc1c(C)ccc(F)c1O 575453069 352217833 /nfs/dbraw/zinc/21/78/33/352217833.db2.gz JHRHVKVXBDALLQ-UHFFFAOYSA-N 0 0 180.222 2.958 10 30 AFEERN C[C@H](S)Cc1ccsc1 575453234 352218668 /nfs/dbraw/zinc/21/86/68/352218668.db2.gz AEXRLHRUUPGFBU-LURJTMIESA-N 0 0 158.291 2.609 10 30 AFEERN C[C@@H](S)Cc1ccsc1 575453243 352218799 /nfs/dbraw/zinc/21/87/99/352218799.db2.gz AEXRLHRUUPGFBU-ZCFIWIBFSA-N 0 0 158.291 2.609 10 30 AFEERN C=C(C)Cc1c(F)ccc(F)c1[O-] 575454099 352223697 /nfs/dbraw/zinc/22/36/97/352223697.db2.gz QZVOIWLTZMLHGO-UHFFFAOYSA-N 0 0 184.185 2.789 10 30 AFEERN C=C(C)Cc1cc(C)c(F)cc1O 575456226 352228855 /nfs/dbraw/zinc/22/88/55/352228855.db2.gz JWKUQJVRRBERRM-UHFFFAOYSA-N 0 0 180.222 2.958 10 30 AFEERN C=C(Cl)CC(=O)C1CCCC1 575456096 352229123 /nfs/dbraw/zinc/22/91/23/352229123.db2.gz AWGPCMXXAVZVSZ-UHFFFAOYSA-N 0 0 172.655 2.888 10 30 AFEERN Cc1cc(Cl)cnc1N=[N+]=[N-] 575456334 352229679 /nfs/dbraw/zinc/22/96/79/352229679.db2.gz REGUKMFUFXASLA-UHFFFAOYSA-N 0 0 168.587 2.985 10 30 AFEERN Cc1ccc(C(=O)/C=C/Cl)cc1O 575457611 352233224 /nfs/dbraw/zinc/23/32/24/352233224.db2.gz SICGJSHZJKCDEQ-SNAWJCMRSA-N 0 0 196.633 2.636 10 30 AFEERN C/C=C/C(=O)c1ccc(N)c(Cl)c1 575458017 352234685 /nfs/dbraw/zinc/23/46/85/352234685.db2.gz UONQKOJKALZHTR-NSCUHMNNSA-N 0 0 195.649 2.681 10 30 AFEERN C[C@@H]1CC(=O)C=C(c2cncs2)C1 575458042 352234620 /nfs/dbraw/zinc/23/46/20/352234620.db2.gz VKEWAJMNPVBOAY-ZETCQYMHSA-N 0 0 193.271 2.526 10 30 AFEERN C[C@H]1CC(=O)C=C(c2cncs2)C1 575458041 352234666 /nfs/dbraw/zinc/23/46/66/352234666.db2.gz VKEWAJMNPVBOAY-SSDOTTSWSA-N 0 0 193.271 2.526 10 30 AFEERN C/C=C/C(=O)c1cc(N)cc(Cl)c1 575459060 352239381 /nfs/dbraw/zinc/23/93/81/352239381.db2.gz XXAAUOJAVISUDJ-NSCUHMNNSA-N 0 0 195.649 2.681 10 30 AFEERN C=C(Cl)C[C@@]1(C=O)CC1(C)C 575459427 352240597 /nfs/dbraw/zinc/24/05/97/352240597.db2.gz JTOQSEIYLUYUOT-VIFPVBQESA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)C[C@]1(C=O)CC1(C)C 575459426 352240634 /nfs/dbraw/zinc/24/06/34/352240634.db2.gz JTOQSEIYLUYUOT-SECBINFHSA-N 0 0 172.655 2.744 10 30 AFEERN C/C=C/C(=O)C1CCC(F)(F)CC1 575459486 352241364 /nfs/dbraw/zinc/24/13/64/352241364.db2.gz SEFNQWFOTLQKJC-NSCUHMNNSA-N 0 0 188.217 2.957 10 30 AFEERN C=CC(=O)Cc1ccsc1Cl 575460545 352243913 /nfs/dbraw/zinc/24/39/13/352243913.db2.gz GBZFFFRHBDPZEF-UHFFFAOYSA-N 0 0 186.663 2.699 10 30 AFEERN O=CCc1cc2cscc2s1 575460849 352244288 /nfs/dbraw/zinc/24/42/88/352244288.db2.gz BMASEFRWFVOAOH-UHFFFAOYSA-N 0 0 182.269 2.704 10 30 AFEERN C[C@H](S)Cc1cccs1 575461265 352246378 /nfs/dbraw/zinc/24/63/78/352246378.db2.gz SEQAMXBNOHIVGI-LURJTMIESA-N 0 0 158.291 2.609 10 30 AFEERN C[C@@H](S)Cc1cccs1 575461267 352246689 /nfs/dbraw/zinc/24/66/89/352246689.db2.gz SEQAMXBNOHIVGI-ZCFIWIBFSA-N 0 0 158.291 2.609 10 30 AFEERN Cc1ccc(C(=O)/C=C/Cl)s1 575461642 352248711 /nfs/dbraw/zinc/24/87/11/352248711.db2.gz SPWWLZDINZRDGX-SNAWJCMRSA-N 0 0 186.663 2.992 10 30 AFEERN CC#CCC(=O)[C@H]1CCCSCC1 575461817 352249583 /nfs/dbraw/zinc/24/95/83/352249583.db2.gz WPVNSZKQHISAMO-JTQLQIEISA-N 0 0 196.315 2.502 10 30 AFEERN CC#CCC(=O)[C@@H]1CCCSCC1 575461819 352249586 /nfs/dbraw/zinc/24/95/86/352249586.db2.gz WPVNSZKQHISAMO-SNVBAGLBSA-N 0 0 196.315 2.502 10 30 AFEERN CC(Cl)=CC(=O)c1ccco1 575462204 352250949 /nfs/dbraw/zinc/25/09/49/352250949.db2.gz VWMUMSSXDFMCAO-UHFFFAOYSA-N 0 0 170.595 2.605 10 30 AFEERN Cc1ccc(C(=O)/C=C/Cl)o1 575462562 352252417 /nfs/dbraw/zinc/25/24/17/352252417.db2.gz POWCEAPVECUKFU-SNAWJCMRSA-N 0 0 170.595 2.523 10 30 AFEERN C=C(C)[C@@H](O)c1ccc(Cl)c(N)c1 575463405 352254327 /nfs/dbraw/zinc/25/43/27/352254327.db2.gz YPJLNIAFBTUPHS-SNVBAGLBSA-N 0 0 197.665 2.532 10 30 AFEERN C=C(C)[C@H](O)c1ccc(Cl)c(N)c1 575463404 352254384 /nfs/dbraw/zinc/25/43/84/352254384.db2.gz YPJLNIAFBTUPHS-JTQLQIEISA-N 0 0 197.665 2.532 10 30 AFEERN O=C(/C=C/Cl)c1sccc1F 575463454 352255275 /nfs/dbraw/zinc/25/52/75/352255275.db2.gz GIXWDWFICXFDQV-HNQUOIGGSA-N 0 0 190.626 2.822 10 30 AFEERN O=C(C=CCl)Cc1ccsc1 575463670 352256033 /nfs/dbraw/zinc/25/60/33/352256033.db2.gz SEJJCVCFPBRLAJ-HNQUOIGGSA-N 0 0 186.663 2.612 10 30 AFEERN Cc1ncsc1C(=O)C1=CCCC1 575464192 352257534 /nfs/dbraw/zinc/25/75/34/352257534.db2.gz DKMLNMHTCBFEKK-UHFFFAOYSA-N 0 0 193.271 2.745 10 30 AFEERN CC(Cl)=CC(=O)C1=CCCC1 575464228 352258329 /nfs/dbraw/zinc/25/83/29/352258329.db2.gz UJXJOVPGCNOKDM-UHFFFAOYSA-N 0 0 170.639 2.808 10 30 AFEERN C=C(C1CCC(=O)CC1)C(F)(F)F 575464873 352260859 /nfs/dbraw/zinc/26/08/59/352260859.db2.gz JETACBMMFKHUKS-UHFFFAOYSA-N 0 0 192.180 2.864 10 30 AFEERN Cc1nc([C@H](C)S)sc1C 575465387 352262925 /nfs/dbraw/zinc/26/29/25/352262925.db2.gz JPNMCMVEQSRUKG-YFKPBYRVSA-N 0 0 173.306 2.751 10 30 AFEERN Cc1nc([C@@H](C)S)sc1C 575465385 352263295 /nfs/dbraw/zinc/26/32/95/352263295.db2.gz JPNMCMVEQSRUKG-RXMQYKEDSA-N 0 0 173.306 2.751 10 30 AFEERN C[C@H](S)c1ccc(Cl)cn1 575466033 352265944 /nfs/dbraw/zinc/26/59/44/352265944.db2.gz XLVKJSKLIHDCPW-YFKPBYRVSA-N 0 0 173.668 2.726 10 30 AFEERN C[C@@H](S)c1ccc(Cl)cn1 575466027 352266132 /nfs/dbraw/zinc/26/61/32/352266132.db2.gz XLVKJSKLIHDCPW-RXMQYKEDSA-N 0 0 173.668 2.726 10 30 AFEERN C=C(Cl)CC(=O)[C@@H]1CCCS1 575466642 352267423 /nfs/dbraw/zinc/26/74/23/352267423.db2.gz SKGOQDGCPUCPTQ-QMMMGPOBSA-N 0 0 190.695 2.594 10 30 AFEERN C=C(Cl)CC(=O)[C@H]1CCCS1 575466641 352267589 /nfs/dbraw/zinc/26/75/89/352267589.db2.gz SKGOQDGCPUCPTQ-MRVPVSSYSA-N 0 0 190.695 2.594 10 30 AFEERN C=C(Cl)C[C@@]1(C=O)CCCS1 575468855 352276324 /nfs/dbraw/zinc/27/63/24/352276324.db2.gz RXCYTFRYLZDVOS-MRVPVSSYSA-N 0 0 190.695 2.594 10 30 AFEERN C=C(Cl)C[C@]1(C=O)CCCS1 575468856 352277404 /nfs/dbraw/zinc/27/74/04/352277404.db2.gz RXCYTFRYLZDVOS-QMMMGPOBSA-N 0 0 190.695 2.594 10 30 AFEERN CC(C)c1nccnc1N=[N+]=[N-] 575469464 352279251 /nfs/dbraw/zinc/27/92/51/352279251.db2.gz SFOPGWJXDAAIJI-UHFFFAOYSA-N 0 0 163.184 2.542 10 30 AFEERN CCc1ccc(NCC#N)cc1Cl 575469357 352279690 /nfs/dbraw/zinc/27/96/90/352279690.db2.gz YDVCQANSYAJFAQ-UHFFFAOYSA-N 0 0 194.665 2.838 10 30 AFEERN CC(=O)C=C1CCC(F)(F)CC1 575469971 352281188 /nfs/dbraw/zinc/28/11/88/352281188.db2.gz UWUKXLNJYWPLTE-UHFFFAOYSA-N 0 0 174.190 2.711 10 30 AFEERN C=C(Cl)CC1=CC(=O)CCC1 575470648 352284098 /nfs/dbraw/zinc/28/40/98/352284098.db2.gz YVNQXPIGJDAEMP-UHFFFAOYSA-N 0 0 170.639 2.808 10 30 AFEERN O=C(C=CCl)Cc1cccs1 575471633 352287529 /nfs/dbraw/zinc/28/75/29/352287529.db2.gz FQTYFUSELABFGO-ONEGZZNKSA-N 0 0 186.663 2.612 10 30 AFEERN C/C=C/C(=O)c1ccc(Cl)cc1N 575472532 352291071 /nfs/dbraw/zinc/29/10/71/352291071.db2.gz XFCNZXRQTXTTTG-NSCUHMNNSA-N 0 0 195.649 2.681 10 30 AFEERN N#Cc1cc(NCCF)ccc1Cl 575478210 352294604 /nfs/dbraw/zinc/29/46/04/352294604.db2.gz ICYDCZDRXTVENO-UHFFFAOYSA-N 0 0 198.628 2.593 10 30 AFEERN C#C[C@H](C)Nc1cccc(F)c1Cl 575478269 352294623 /nfs/dbraw/zinc/29/46/23/352294623.db2.gz XQWSUZPOBKLXIJ-ZETCQYMHSA-N 0 0 197.640 2.913 10 30 AFEERN C[C@@H](C#N)Nc1cccc(F)c1Cl 575478266 352294808 /nfs/dbraw/zinc/29/48/08/352294808.db2.gz WZPSEBOHXQRORD-LURJTMIESA-N 0 0 198.628 2.803 10 30 AFEERN C#C[C@@H](C)Nc1cccc(F)c1Cl 575478268 352294805 /nfs/dbraw/zinc/29/48/05/352294805.db2.gz XQWSUZPOBKLXIJ-SSDOTTSWSA-N 0 0 197.640 2.913 10 30 AFEERN N#CCCNc1cccc(F)c1Cl 575478193 352294896 /nfs/dbraw/zinc/29/48/96/352294896.db2.gz CLNWLYVZDYBVEU-UHFFFAOYSA-N 0 0 198.628 2.805 10 30 AFEERN C[C@H](C#N)Nc1cccc(F)c1Cl 575478267 352294970 /nfs/dbraw/zinc/29/49/70/352294970.db2.gz WZPSEBOHXQRORD-ZCFIWIBFSA-N 0 0 198.628 2.803 10 30 AFEERN C#CCNc1cccc(C2CC2)c1 575478531 352296032 /nfs/dbraw/zinc/29/60/32/352296032.db2.gz BEWOJIMIAJZMOM-UHFFFAOYSA-N 0 0 171.243 2.609 10 30 AFEERN Cc1cc(NCC#N)cc(C)c1Cl 575482600 352316582 /nfs/dbraw/zinc/31/65/82/352316582.db2.gz XYQPNSCGOCEKEX-UHFFFAOYSA-N 0 0 194.665 2.892 10 30 AFEERN C=C(C)C(=O)[C@H]1CCCSCC1 575483980 352324975 /nfs/dbraw/zinc/32/49/75/352324975.db2.gz GZWVTLMRMWGMOF-VIFPVBQESA-N 0 0 184.304 2.665 10 30 AFEERN CC(=O)/C=C/[C@@H]1CC2CCC1CC2 575485992 352333401 /nfs/dbraw/zinc/33/34/01/352333401.db2.gz SYEINGOTMUMGOV-DXTUHDHZSA-N 0 0 178.275 2.958 10 30 AFEERN CC(=O)/C=C/[C@H]1CC2CCC1CC2 575485993 352333740 /nfs/dbraw/zinc/33/37/40/352333740.db2.gz SYEINGOTMUMGOV-PIPKHIOKSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)C(=O)C1CC2(CCC2)C1 575486835 352338962 /nfs/dbraw/zinc/33/89/62/352338962.db2.gz MTNVWWNAWURRHB-UHFFFAOYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)CNc1cncc(Cl)c1 575487262 352342016 /nfs/dbraw/zinc/34/20/16/352342016.db2.gz BGZVRSJQDGARRD-UHFFFAOYSA-N 0 0 182.654 2.723 10 30 AFEERN CCC(F)(F)C(=O)C=C(C)C 575487342 352342735 /nfs/dbraw/zinc/34/27/35/352342735.db2.gz NWOOASXTICNYQU-UHFFFAOYSA-N 0 0 162.179 2.567 10 30 AFEERN CC#CCC(=O)C1CC2(CCC2)C1 575487532 352343392 /nfs/dbraw/zinc/34/33/92/352343392.db2.gz UIRJFJWTWOQTJJ-UHFFFAOYSA-N 0 0 176.259 2.549 10 30 AFEERN C=C[C@H](C)Nc1cncc(Cl)c1 575487632 352344256 /nfs/dbraw/zinc/34/42/56/352344256.db2.gz DEELFASKZASUNB-ZETCQYMHSA-N 0 0 182.654 2.721 10 30 AFEERN C=C[C@@H](C)Nc1cncc(Cl)c1 575487631 352344268 /nfs/dbraw/zinc/34/42/68/352344268.db2.gz DEELFASKZASUNB-SSDOTTSWSA-N 0 0 182.654 2.721 10 30 AFEERN C#C[C@@H](CC)Nc1cncc(Cl)c1 575487674 352344584 /nfs/dbraw/zinc/34/45/84/352344584.db2.gz FULULAXRQNFJQW-VIFPVBQESA-N 0 0 194.665 2.559 10 30 AFEERN C#C[C@H](CC)Nc1cncc(Cl)c1 575487673 352344762 /nfs/dbraw/zinc/34/47/62/352344762.db2.gz FULULAXRQNFJQW-SECBINFHSA-N 0 0 194.665 2.559 10 30 AFEERN CC#CCCNc1cncc(Cl)c1 575487747 352344904 /nfs/dbraw/zinc/34/49/04/352344904.db2.gz HIFBPCXTNGSZFM-UHFFFAOYSA-N 0 0 194.665 2.560 10 30 AFEERN CC1CC(C(=O)C2=CCCC2)C1 575488022 352347018 /nfs/dbraw/zinc/34/70/18/352347018.db2.gz YGRLYJKSORSFAI-UHFFFAOYSA-N 0 0 164.248 2.712 10 30 AFEERN O=C(C1=CCCCC1)[C@@H]1CC12CC2 575488156 352347660 /nfs/dbraw/zinc/34/76/60/352347660.db2.gz PMMUBUZDNVCFLP-JTQLQIEISA-N 0 0 176.259 2.856 10 30 AFEERN O=C(C1=CCCCC1)[C@H]1CC12CC2 575488162 352347664 /nfs/dbraw/zinc/34/76/64/352347664.db2.gz PMMUBUZDNVCFLP-SNVBAGLBSA-N 0 0 176.259 2.856 10 30 AFEERN C=CCNc1cncc(Cl)c1C 575489094 352352010 /nfs/dbraw/zinc/35/20/10/352352010.db2.gz YIOYQYXXGMKVPT-UHFFFAOYSA-N 0 0 182.654 2.641 10 30 AFEERN CC[C@@H]1CCCCC[C@@H]1C=O 575490090 352355935 /nfs/dbraw/zinc/35/59/35/352355935.db2.gz VIJFNYLVNWISFJ-NXEZZACHSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@@H]1CCCCC[C@H]1C=O 575490093 352355947 /nfs/dbraw/zinc/35/59/47/352355947.db2.gz VIJFNYLVNWISFJ-ZJUUUORDSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@H]1CCCCC[C@@H]1C=O 575490092 352356026 /nfs/dbraw/zinc/35/60/26/352356026.db2.gz VIJFNYLVNWISFJ-VHSXEESVSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@H]1CCCCC[C@H]1C=O 575490091 352356133 /nfs/dbraw/zinc/35/61/33/352356133.db2.gz VIJFNYLVNWISFJ-UWVGGRQHSA-N 0 0 154.253 2.792 10 30 AFEERN Cc1ncc(C2=CC(=O)CCC2)s1 575490316 352356691 /nfs/dbraw/zinc/35/66/91/352356691.db2.gz CJZSNVURJLPYJK-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN C=C(C)CC(=O)C1CC(C)C1 575490819 352359499 /nfs/dbraw/zinc/35/94/99/352359499.db2.gz MKDAXFDWGGDDPM-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN C#C[C@@H]([NH3+])c1cc2cscc2s1 575491369 352362012 /nfs/dbraw/zinc/36/20/12/352362012.db2.gz AGAAZYPSEANIEV-SSDOTTSWSA-N 0 0 193.296 2.596 10 30 AFEERN Cc1ncc(C2=CCCCC2=O)s1 575491445 352362149 /nfs/dbraw/zinc/36/21/49/352362149.db2.gz WNQCIFKQBVWCMG-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN C=C(C)[C@H](O)c1cc(N)cc(Cl)c1 575492640 352369226 /nfs/dbraw/zinc/36/92/26/352369226.db2.gz BWXRPBQDJHNFCW-JTQLQIEISA-N 0 0 197.665 2.532 10 30 AFEERN C=C(C)[C@@H](O)c1cc(N)cc(Cl)c1 575492642 352369032 /nfs/dbraw/zinc/36/90/32/352369032.db2.gz BWXRPBQDJHNFCW-SNVBAGLBSA-N 0 0 197.665 2.532 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CCC[C@H]2C[C@H]21 575495874 352383157 /nfs/dbraw/zinc/38/31/57/352383157.db2.gz DKMWZELJJVXSCT-HBNTYKKESA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575495875 352383462 /nfs/dbraw/zinc/38/34/62/352383462.db2.gz DKMWZELJJVXSCT-MXWKQRLJSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 575496798 352387051 /nfs/dbraw/zinc/38/70/51/352387051.db2.gz SBLIRIDIHRIBTR-IVZWLZJFSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575496797 352387091 /nfs/dbraw/zinc/38/70/91/352387091.db2.gz SBLIRIDIHRIBTR-BBBLOLIVSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(C(=O)/C=C/Cl)c(C)o1 575500041 352404571 /nfs/dbraw/zinc/40/45/71/352404571.db2.gz CEZGMRHWJNGAOP-ONEGZZNKSA-N 0 0 184.622 2.832 10 30 AFEERN CC(=O)C=C(C)c1ccc(Cl)cn1 575500480 352407323 /nfs/dbraw/zinc/40/73/23/352407323.db2.gz RYZOBLGEHPAORM-ALCCZGGFSA-N 0 0 195.649 2.727 10 30 AFEERN Cc1occc1C(=O)/C=C/Cl 575500528 352407347 /nfs/dbraw/zinc/40/73/47/352407347.db2.gz GHSYOYUOFIFUEK-DUXPYHPUSA-N 0 0 170.595 2.523 10 30 AFEERN CC(C)=CC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 575500785 352409112 /nfs/dbraw/zinc/40/91/12/352409112.db2.gz OSCMLIXIKMWBCG-MYJAWHEDSA-N 0 0 164.248 2.568 10 30 AFEERN O=C(/C=C/Cl)c1ccc(Cl)o1 575501734 352413461 /nfs/dbraw/zinc/41/34/61/352413461.db2.gz PENCYVMDHYTFKR-ONEGZZNKSA-N 0 0 191.013 2.868 10 30 AFEERN Cc1ccsc1C(=O)/C=C/Cl 575501867 352414240 /nfs/dbraw/zinc/41/42/40/352414240.db2.gz QUZJYYUJOBUFRV-DUXPYHPUSA-N 0 0 186.663 2.992 10 30 AFEERN Cc1cccc(C(=O)/C=C/Cl)c1O 575502311 352417041 /nfs/dbraw/zinc/41/70/41/352417041.db2.gz VRUJCUMRAAQZFK-AATRIKPKSA-N 0 0 196.633 2.636 10 30 AFEERN Cc1ccc(O)c(C(=O)/C=C/Cl)c1 575502759 352418843 /nfs/dbraw/zinc/41/88/43/352418843.db2.gz YYGNAAWZADRBDE-SNAWJCMRSA-N 0 0 196.633 2.636 10 30 AFEERN O=C1C=C(CC2CC=CC2)CC1 575504335 352426848 /nfs/dbraw/zinc/42/68/48/352426848.db2.gz HSRGQDWFBQFFAH-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN CC(C)(C=O)CC1CC=CC1 575504603 352427523 /nfs/dbraw/zinc/42/75/23/352427523.db2.gz LEQQOAORKQRJQE-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)[C@H](C)C1CCC1 575504794 352428606 /nfs/dbraw/zinc/42/86/06/352428606.db2.gz OGKFCJXYVBMTFJ-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)[C@@H](C)C1CCC1 575504796 352429133 /nfs/dbraw/zinc/42/91/33/352429133.db2.gz OGKFCJXYVBMTFJ-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@H](O)c1cc(Cl)ccc1N 575505730 352432195 /nfs/dbraw/zinc/43/21/95/352432195.db2.gz SVCNBWHLAJQADS-SNVBAGLBSA-N 0 0 197.665 2.532 10 30 AFEERN CC(=O)C=C1CCC2(CC1)CC2 575510376 352459655 /nfs/dbraw/zinc/45/96/55/352459655.db2.gz BOXLUZSIOKFHEF-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C#CCC(=O)[C@H]1CCCC2(CC2)C1 575511170 352464731 /nfs/dbraw/zinc/46/47/31/352464731.db2.gz CECOUHOIQBPKOU-JTQLQIEISA-N 0 0 176.259 2.549 10 30 AFEERN C#CCC(=O)[C@@H]1CCCC2(CC2)C1 575511171 352464741 /nfs/dbraw/zinc/46/47/41/352464741.db2.gz CECOUHOIQBPKOU-SNVBAGLBSA-N 0 0 176.259 2.549 10 30 AFEERN C=CC(=O)C1CCC2(CC1)CC2 575511317 352465047 /nfs/dbraw/zinc/46/50/47/352465047.db2.gz CQQBJZYIMGVQJY-UHFFFAOYSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC(=O)[C@H]1CCCC2(CC2)C1 575511616 352467018 /nfs/dbraw/zinc/46/70/18/352467018.db2.gz GUUQIRBPVCKFIJ-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN C=CC(=O)[C@@H]1CCCC2(CC2)C1 575511614 352467164 /nfs/dbraw/zinc/46/71/64/352467164.db2.gz GUUQIRBPVCKFIJ-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN O=CC1=C(O)CC[C@H](C2CCC2)C1 575511761 352468636 /nfs/dbraw/zinc/46/86/36/352468636.db2.gz IAFLNDCATLVACA-CBFJXKFUSA-N 0 0 180.247 2.598 10 30 AFEERN C#CCC(=O)C1CCC2(CC1)CC2 575511812 352468744 /nfs/dbraw/zinc/46/87/44/352468744.db2.gz JJUQESOSXVCFPP-UHFFFAOYSA-N 0 0 176.259 2.549 10 30 AFEERN O=CC1=C(O)CC[C@@H](C2CCC2)C1 575511762 352468747 /nfs/dbraw/zinc/46/87/47/352468747.db2.gz IAFLNDCATLVACA-SBMLRHLQSA-N 0 0 180.247 2.598 10 30 AFEERN Cc1ccoc1C(=O)/C=C/Cl 575513472 352478172 /nfs/dbraw/zinc/47/81/72/352478172.db2.gz AQILCPXRXXCJKI-DUXPYHPUSA-N 0 0 170.595 2.523 10 30 AFEERN O=C(/C=C/Cl)[C@@H]1[C@H]2CCCC[C@H]21 575516678 352493189 /nfs/dbraw/zinc/49/31/89/352493189.db2.gz BPRJFWXLQYIHMC-YTJODXBGSA-N 0 0 184.666 2.744 10 30 AFEERN C=C(C)[C@@H](O)c1ccc(N)c(Cl)c1 575517055 352495285 /nfs/dbraw/zinc/49/52/85/352495285.db2.gz IEQRJRKTLPQRKP-SNVBAGLBSA-N 0 0 197.665 2.532 10 30 AFEERN C=C(C)[C@H](O)c1ccc(N)c(Cl)c1 575517054 352495502 /nfs/dbraw/zinc/49/55/02/352495502.db2.gz IEQRJRKTLPQRKP-JTQLQIEISA-N 0 0 197.665 2.532 10 30 AFEERN CC1(C(=O)/C=C/Cl)CCCC1 575517354 352496641 /nfs/dbraw/zinc/49/66/41/352496641.db2.gz MVGZXJIESXTQSI-QPJJXVBHSA-N 0 0 172.655 2.888 10 30 AFEERN C[C@H](C(=O)/C=C/Cl)C(C)(C)C 575517310 352496688 /nfs/dbraw/zinc/49/66/88/352496688.db2.gz LAJLFYWNWMRVAC-WEWAHIQMSA-N 0 0 174.671 2.990 10 30 AFEERN Cc1csc(C(=O)/C=C/Cl)c1 575517329 352496830 /nfs/dbraw/zinc/49/68/30/352496830.db2.gz MINIDAOSNAFQFH-NSCUHMNNSA-N 0 0 186.663 2.992 10 30 AFEERN C[C@@H](C(=O)/C=C/Cl)C(C)(C)C 575517311 352496970 /nfs/dbraw/zinc/49/69/70/352496970.db2.gz LAJLFYWNWMRVAC-XPPMVYLVSA-N 0 0 174.671 2.990 10 30 AFEERN Cc1ccc(C(=O)/C=C/Cl)c(C)n1 575517516 352497277 /nfs/dbraw/zinc/49/72/77/352497277.db2.gz ORKWEEVBWGJRDZ-AATRIKPKSA-N 0 0 195.649 2.634 10 30 AFEERN Cc1c(O)cccc1C(=O)/C=C/Cl 575517625 352498025 /nfs/dbraw/zinc/49/80/25/352498025.db2.gz ROVLZZJRLWJCPU-AATRIKPKSA-N 0 0 196.633 2.636 10 30 AFEERN CCC(C)(C)C(=O)/C=C/Cl 575517740 352498769 /nfs/dbraw/zinc/49/87/69/352498769.db2.gz SDMKYVBSNFBZPJ-AATRIKPKSA-N 0 0 160.644 2.744 10 30 AFEERN Cc1ncsc1C1=CC(=O)CCC1 575517889 352499081 /nfs/dbraw/zinc/49/90/81/352499081.db2.gz NMPYDJPRAGMSQI-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN Cc1ncsc1C1=CCCCC1=O 575517904 352499491 /nfs/dbraw/zinc/49/94/91/352499491.db2.gz OECOYYSECKENCZ-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN Cc1cc(C(=O)/C=C/Cl)ccc1O 575518057 352499715 /nfs/dbraw/zinc/49/97/15/352499715.db2.gz FZXGHIUOQVOYTO-SNAWJCMRSA-N 0 0 196.633 2.636 10 30 AFEERN CC1(C)C(C(=O)/C=C/Cl)C1(C)C 575518036 352499732 /nfs/dbraw/zinc/49/97/32/352499732.db2.gz ZSVIJNVYUGBETI-AATRIKPKSA-N 0 0 186.682 2.990 10 30 AFEERN O=C(C=CCl)[C@@H]1Cc2ccccc21 575518004 352499878 /nfs/dbraw/zinc/49/98/78/352499878.db2.gz ZPHPSAIZBRZUOH-BRAIEQGRSA-N 0 0 192.645 2.648 10 30 AFEERN Cc1ccc(O)cc1C(=O)/C=C/Cl 575518050 352499908 /nfs/dbraw/zinc/49/99/08/352499908.db2.gz DFTAZAIOOPWIEC-SNAWJCMRSA-N 0 0 196.633 2.636 10 30 AFEERN O=C(C=CCl)[C@H]1Cc2ccccc21 575518005 352500101 /nfs/dbraw/zinc/50/01/01/352500101.db2.gz ZPHPSAIZBRZUOH-PORFMDCZSA-N 0 0 192.645 2.648 10 30 AFEERN Cc1cc(C(=O)/C=C/Cl)cs1 575518082 352500138 /nfs/dbraw/zinc/50/01/38/352500138.db2.gz JGBQQDJBTNKPJA-NSCUHMNNSA-N 0 0 186.663 2.992 10 30 AFEERN Cc1cc(O)ccc1C(=O)/C=C/Cl 575518099 352500569 /nfs/dbraw/zinc/50/05/69/352500569.db2.gz KWASJZGJKOBTCU-SNAWJCMRSA-N 0 0 196.633 2.636 10 30 AFEERN CC(C)[C@@H](C)C(=O)/C=C/Cl 575518170 352500578 /nfs/dbraw/zinc/50/05/78/352500578.db2.gz NHNCDEVTQCLOCE-SMMXGFFBSA-N 0 0 160.644 2.600 10 30 AFEERN CC(C)[C@H](C)C(=O)/C=C/Cl 575518168 352500658 /nfs/dbraw/zinc/50/06/58/352500658.db2.gz NHNCDEVTQCLOCE-KPJROHGDSA-N 0 0 160.644 2.600 10 30 AFEERN O=C1C=C(c2cncs2)CCCC1 575518517 352503077 /nfs/dbraw/zinc/50/30/77/352503077.db2.gz XUOSUWNSWLTSFJ-UHFFFAOYSA-N 0 0 193.271 2.670 10 30 AFEERN O=C(/C=C/Cl)[C@@H]1CCC[C@@H]2C[C@@H]21 575520942 352513990 /nfs/dbraw/zinc/51/39/90/352513990.db2.gz JXGBRUKFRZBUQX-CAFNPDQUSA-N 0 0 184.666 2.744 10 30 AFEERN O=C(/C=C/Cl)[C@@]12CCCC[C@@H]1C2 575520814 352514072 /nfs/dbraw/zinc/51/40/72/352514072.db2.gz HYQYINOZGZXGJA-ROOOYKNVSA-N 0 0 184.666 2.888 10 30 AFEERN O=C(/C=C/Cl)[C@]12CCCC[C@H]1C2 575520813 352514188 /nfs/dbraw/zinc/51/41/88/352514188.db2.gz HYQYINOZGZXGJA-KMPJEGIHSA-N 0 0 184.666 2.888 10 30 AFEERN Cc1cscc1C(=O)/C=C/Cl 575520835 352514395 /nfs/dbraw/zinc/51/43/95/352514395.db2.gz IQPMCFLYCGOJCZ-NSCUHMNNSA-N 0 0 186.663 2.992 10 30 AFEERN O=C(/C=C/Cl)[C@@H]1CC[C@@H]2C[C@@H]2C1 575520962 352514796 /nfs/dbraw/zinc/51/47/96/352514796.db2.gz KHKWBSCLORIECI-LAMWZKMISA-N 0 0 184.666 2.744 10 30 AFEERN O=C(/C=C/Cl)[C@@H]1CC[C@H]2C[C@H]2C1 575520958 352514815 /nfs/dbraw/zinc/51/48/15/352514815.db2.gz KHKWBSCLORIECI-FWMNBOHYSA-N 0 0 184.666 2.744 10 30 AFEERN O=C(/C=C/Cl)[C@@H]1CCC[C@H]2C[C@H]21 575520948 352514825 /nfs/dbraw/zinc/51/48/25/352514825.db2.gz JXGBRUKFRZBUQX-VDVDPMKASA-N 0 0 184.666 2.744 10 30 AFEERN C[C@H](C(=O)/C=C/Cl)C1CCC1 575521131 352515246 /nfs/dbraw/zinc/51/52/46/352515246.db2.gz NVZQEDIBLKQHMJ-XPPMVYLVSA-N 0 0 172.655 2.744 10 30 AFEERN Cc1cc(C)nc(C(=O)/C=C/Cl)c1 575521168 352515311 /nfs/dbraw/zinc/51/53/11/352515311.db2.gz PAXHLTBIWHFZJG-ONEGZZNKSA-N 0 0 195.649 2.634 10 30 AFEERN C[C@@H](C(=O)/C=C/Cl)C1CCC1 575521130 352515321 /nfs/dbraw/zinc/51/53/21/352515321.db2.gz NVZQEDIBLKQHMJ-WEWAHIQMSA-N 0 0 172.655 2.744 10 30 AFEERN CC(C)C1(C(=O)/C=C/Cl)CC1 575521142 352515468 /nfs/dbraw/zinc/51/54/68/352515468.db2.gz OBUQCLIVZMNKKY-ZZXKWVIFSA-N 0 0 172.655 2.744 10 30 AFEERN O=C(/C=C/Cl)c1ccoc1Cl 575521281 352516024 /nfs/dbraw/zinc/51/60/24/352516024.db2.gz QZHNRLHITVLZEV-HNQUOIGGSA-N 0 0 191.013 2.868 10 30 AFEERN Cc1ccc(C(=O)/C=C/Cl)nc1C 575521419 352516822 /nfs/dbraw/zinc/51/68/22/352516822.db2.gz UMGRFVHTMYNURN-AATRIKPKSA-N 0 0 195.649 2.634 10 30 AFEERN C[C@@H]1CCC[C@H]1C(=O)/C=C/Cl 575521544 352517146 /nfs/dbraw/zinc/51/71/46/352517146.db2.gz YQTVQVFYERLQTH-ZZTMBZGHSA-N 0 0 172.655 2.744 10 30 AFEERN O=C(C=CCl)[C@@H]1CCC(F)(F)C1 575521482 352517138 /nfs/dbraw/zinc/51/71/38/352517138.db2.gz WXHRYXHGTKIKNL-QMVXTRQFSA-N 0 0 194.608 2.743 10 30 AFEERN C[C@H]1CCC[C@@H]1C(=O)/C=C/Cl 575521541 352517170 /nfs/dbraw/zinc/51/71/70/352517170.db2.gz YQTVQVFYERLQTH-JBGJSGBSSA-N 0 0 172.655 2.744 10 30 AFEERN Cc1cc(C(=O)/C=C/Cl)co1 575521504 352517209 /nfs/dbraw/zinc/51/72/09/352517209.db2.gz XPIVTNSJIABLHV-NSCUHMNNSA-N 0 0 170.595 2.523 10 30 AFEERN O=C(/C=C/Cl)[C@H]1CCCCS1 575521453 352517232 /nfs/dbraw/zinc/51/72/32/352517232.db2.gz WBWJLIQXCWOGTK-WTSVBCDHSA-N 0 0 190.695 2.594 10 30 AFEERN C[C@@H]1CCC[C@@H]1C(=O)/C=C/Cl 575521542 352517241 /nfs/dbraw/zinc/51/72/41/352517241.db2.gz YQTVQVFYERLQTH-KTERXBQFSA-N 0 0 172.655 2.744 10 30 AFEERN O=C(C=CCl)[C@H]1CCC(F)(F)C1 575521483 352517262 /nfs/dbraw/zinc/51/72/62/352517262.db2.gz WXHRYXHGTKIKNL-YMCITTDRSA-N 0 0 194.608 2.743 10 30 AFEERN O=C(/C=C/Cl)[C@@H]1CCCCS1 575521454 352517385 /nfs/dbraw/zinc/51/73/85/352517385.db2.gz WBWJLIQXCWOGTK-ZJELKQJVSA-N 0 0 190.695 2.594 10 30 AFEERN C[C@H]1CCC[C@H]1C(=O)/C=C/Cl 575521543 352517423 /nfs/dbraw/zinc/51/74/23/352517423.db2.gz YQTVQVFYERLQTH-LXBADBFVSA-N 0 0 172.655 2.744 10 30 AFEERN C[C@@]1(C(=O)/C=C/Cl)CCCS1 575521581 352518012 /nfs/dbraw/zinc/51/80/12/352518012.db2.gz ZRNPVHHLAKDPOC-WGAJWPLOSA-N 0 0 190.695 2.594 10 30 AFEERN C[C@]1(C(=O)/C=C/Cl)CCCS1 575521580 352518041 /nfs/dbraw/zinc/51/80/41/352518041.db2.gz ZRNPVHHLAKDPOC-RYEJSQLPSA-N 0 0 190.695 2.594 10 30 AFEERN C[C@@H](C(=O)C=CCl)C(C)(F)F 575521558 352518137 /nfs/dbraw/zinc/51/81/37/352518137.db2.gz ZBFWAMXYFGIWIO-BHYDHMSTSA-N 0 0 182.597 2.599 10 30 AFEERN C[C@H](C(=O)C=CCl)C(C)(F)F 575521559 352518169 /nfs/dbraw/zinc/51/81/69/352518169.db2.gz ZBFWAMXYFGIWIO-QLSVQJPWSA-N 0 0 182.597 2.599 10 30 AFEERN C=C(C)C(=O)c1cc(Cl)ccc1N 575525029 352532906 /nfs/dbraw/zinc/53/29/06/352532906.db2.gz XJAIRTAXQKQFGA-UHFFFAOYSA-N 0 0 195.649 2.681 10 30 AFEERN CC(=O)/C=C1/CCC12CCCC2 575527250 352542996 /nfs/dbraw/zinc/54/29/96/352542996.db2.gz GAJNDMXWZRFHDA-NTMALXAHSA-N 0 0 164.248 2.856 10 30 AFEERN CC#CCC(=O)[C@@]12CCCC[C@@H]1C2 575530008 352553778 /nfs/dbraw/zinc/55/37/78/352553778.db2.gz APEZCERUKLDOBF-ZYHUDNBSSA-N 0 0 176.259 2.549 10 30 AFEERN C=C(C)C(=O)C1(C(C)C)CC1 575529914 352553878 /nfs/dbraw/zinc/55/38/78/352553878.db2.gz GLNJRZAXZGPGIA-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN CC#CCC(=O)[C@]12CCCC[C@H]1C2 575530005 352554104 /nfs/dbraw/zinc/55/41/04/352554104.db2.gz APEZCERUKLDOBF-JQWIXIFHSA-N 0 0 176.259 2.549 10 30 AFEERN CC(C)=CC(=O)[C@]12CCC[C@H]1C2 575531154 352559573 /nfs/dbraw/zinc/55/95/73/352559573.db2.gz HELINVHCZFEJNU-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)=CC(=O)[C@@]12CCC[C@@H]1C2 575531152 352559601 /nfs/dbraw/zinc/55/96/01/352559601.db2.gz HELINVHCZFEJNU-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)C(=O)[C@@]12CCCC[C@@H]1C2 575532910 352568749 /nfs/dbraw/zinc/56/87/49/352568749.db2.gz PILMVDDNQXURKK-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)C(=O)[C@]12CCCC[C@H]1C2 575532911 352568751 /nfs/dbraw/zinc/56/87/51/352568751.db2.gz PILMVDDNQXURKK-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN O=C(C1=CCCC1)[C@]12CCC[C@H]1C2 575533080 352569246 /nfs/dbraw/zinc/56/92/46/352569246.db2.gz QQLZZLSGZVTUDX-JQWIXIFHSA-N 0 0 176.259 2.856 10 30 AFEERN O=C(C1=CCCC1)[C@@]12CCC[C@@H]1C2 575533189 352569780 /nfs/dbraw/zinc/56/97/80/352569780.db2.gz QQLZZLSGZVTUDX-ZYHUDNBSSA-N 0 0 176.259 2.856 10 30 AFEERN CC(=O)C=C1C[C@H]2CC[C@@H](C1)C2 575534455 352574831 /nfs/dbraw/zinc/57/48/31/352574831.db2.gz OWUVDZGMKLCADT-AOOOYVTPSA-N 0 0 164.248 2.712 10 30 AFEERN C#CC(=O)c1cc2cscc2s1 575535378 352579026 /nfs/dbraw/zinc/57/90/26/352579026.db2.gz XXDLHRRVOGNKFQ-UHFFFAOYSA-N 0 0 192.264 2.779 10 30 AFEERN CC1(C)C[C@@]1(C)C(=O)/C=C/Cl 575536293 352583509 /nfs/dbraw/zinc/58/35/09/352583509.db2.gz AKIAXIZZWJXJAZ-MOVJSRMASA-N 0 0 172.655 2.744 10 30 AFEERN CC1(C)C[C@]1(C)C(=O)/C=C/Cl 575536295 352583638 /nfs/dbraw/zinc/58/36/38/352583638.db2.gz AKIAXIZZWJXJAZ-XNPJLODASA-N 0 0 172.655 2.744 10 30 AFEERN CC[C@@H]1CCCCC[C@]12O[C@H]2C#N 575536761 352586220 /nfs/dbraw/zinc/58/62/20/352586220.db2.gz AHFLKYFBXJTNJW-VWYCJHECSA-N 0 0 179.263 2.638 10 30 AFEERN CC[C@@H]1CCCCC[C@]12O[C@@H]2C#N 575536759 352586259 /nfs/dbraw/zinc/58/62/59/352586259.db2.gz AHFLKYFBXJTNJW-MXWKQRLJSA-N 0 0 179.263 2.638 10 30 AFEERN CC[C@@H]1CCCCC[C@@]12O[C@H]2C#N 575536760 352586294 /nfs/dbraw/zinc/58/62/94/352586294.db2.gz AHFLKYFBXJTNJW-OUAUKWLOSA-N 0 0 179.263 2.638 10 30 AFEERN CC[C@@H]1CCCCC[C@@]12O[C@@H]2C#N 575536758 352586321 /nfs/dbraw/zinc/58/63/21/352586321.db2.gz AHFLKYFBXJTNJW-GMTAPVOTSA-N 0 0 179.263 2.638 10 30 AFEERN N#CC1(C[C@@H]2CO2)CCCCCC1 575536991 352587722 /nfs/dbraw/zinc/58/77/22/352587722.db2.gz JBIVZKPNNVTBSO-SNVBAGLBSA-N 0 0 179.263 2.639 10 30 AFEERN C=C(C)C(=O)[C@H]1CCCC12CC2 575540868 352605041 /nfs/dbraw/zinc/60/50/41/352605041.db2.gz BPVIRQHTYWRZLU-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCCC12CC2 575540869 352605089 /nfs/dbraw/zinc/60/50/89/352605089.db2.gz BPVIRQHTYWRZLU-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN CC#CCC(=O)[C@@H]1CCCC12CC2 575544805 352619435 /nfs/dbraw/zinc/61/94/35/352619435.db2.gz WYNSIROSCJQPNL-JTQLQIEISA-N 0 0 176.259 2.549 10 30 AFEERN CC#CCC(=O)[C@H]1CCCC12CC2 575544807 352619438 /nfs/dbraw/zinc/61/94/38/352619438.db2.gz WYNSIROSCJQPNL-SNVBAGLBSA-N 0 0 176.259 2.549 10 30 AFEERN C=C(Cl)CC(=O)[C@H]1CC1(C)C 575548481 352631308 /nfs/dbraw/zinc/63/13/08/352631308.db2.gz DUXMJWQHTAJJAY-SSDOTTSWSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)CC(=O)C(F)(F)Cl 575548483 352631383 /nfs/dbraw/zinc/63/13/83/352631383.db2.gz DUZTZOSTKRNKLF-UHFFFAOYSA-N 0 0 188.988 2.530 10 30 AFEERN C=C(Cl)CC(=O)[C@@H]1CC1(C)C 575548482 352631462 /nfs/dbraw/zinc/63/14/62/352631462.db2.gz DUXMJWQHTAJJAY-ZETCQYMHSA-N 0 0 172.655 2.744 10 30 AFEERN CC1(C)C[C@@]1(C=O)[C@@H]1C=CCCC1 575548607 352631886 /nfs/dbraw/zinc/63/18/86/352631886.db2.gz FDSFHVDHNXVOGA-ZYHUDNBSSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)C[C@]1(C=O)CC1(C)C 575548687 352631924 /nfs/dbraw/zinc/63/19/24/352631924.db2.gz FYIUJHQIOUOXRW-SNVBAGLBSA-N 0 0 154.253 2.648 10 30 AFEERN CC1(C)C[C@@]1(C=O)[C@H]1C=CCCC1 575548603 352632038 /nfs/dbraw/zinc/63/20/38/352632038.db2.gz FDSFHVDHNXVOGA-CMPLNLGQSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)C[C@@]1(C=O)CC1(C)C 575548686 352632226 /nfs/dbraw/zinc/63/22/26/352632226.db2.gz FYIUJHQIOUOXRW-JTQLQIEISA-N 0 0 154.253 2.648 10 30 AFEERN CC1(C)C[C@]1(C=O)[C@H]1C=CCCC1 575548604 352632180 /nfs/dbraw/zinc/63/21/80/352632180.db2.gz FDSFHVDHNXVOGA-JQWIXIFHSA-N 0 0 178.275 2.958 10 30 AFEERN CC1(C)C[C@]1(C=O)[C@@H]1C=CCCC1 575548605 352632345 /nfs/dbraw/zinc/63/23/45/352632345.db2.gz FDSFHVDHNXVOGA-PWSUYJOCSA-N 0 0 178.275 2.958 10 30 AFEERN CC1(C)C[C@@]1(C=O)C1CCCC1 575548841 352632896 /nfs/dbraw/zinc/63/28/96/352632896.db2.gz HTDHJSMIDBBKPF-LLVKDONJSA-N 0 0 166.264 2.792 10 30 AFEERN CC1(C)C[C@]1(C=O)C1CCCC1 575548842 352632971 /nfs/dbraw/zinc/63/29/71/352632971.db2.gz HTDHJSMIDBBKPF-NSHDSACASA-N 0 0 166.264 2.792 10 30 AFEERN C/C=C/C(=O)c1ccc(N)cc1Cl 575549321 352634004 /nfs/dbraw/zinc/63/40/04/352634004.db2.gz ILNIJAVUGZVPMJ-NSCUHMNNSA-N 0 0 195.649 2.681 10 30 AFEERN CC=CC(=O)[C@H]1CCC(F)(F)C1 575549369 352634065 /nfs/dbraw/zinc/63/40/65/352634065.db2.gz JSAJJFLZCYEZKZ-AIYRYJHASA-N 0 0 174.190 2.567 10 30 AFEERN C/C=C/C[C@@]1(C=O)CC1(C)C 575549255 352634072 /nfs/dbraw/zinc/63/40/72/352634072.db2.gz JRLPERDLCKGUQK-YEZKRMTDSA-N 0 0 152.237 2.568 10 30 AFEERN CC=CC(=O)[C@@H]1CCC(F)(F)C1 575549370 352634154 /nfs/dbraw/zinc/63/41/54/352634154.db2.gz JSAJJFLZCYEZKZ-TYWZFMJISA-N 0 0 174.190 2.567 10 30 AFEERN C/C=C/C[C@]1(C=O)CC1(C)C 575549254 352634206 /nfs/dbraw/zinc/63/42/06/352634206.db2.gz JRLPERDLCKGUQK-ORAHPGNNSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(Cl)CC(=O)C(C)(C)C 575549386 352634268 /nfs/dbraw/zinc/63/42/68/352634268.db2.gz JYQMMHGJHHCVQR-UHFFFAOYSA-N 0 0 160.644 2.744 10 30 AFEERN C/C=C/C(=O)c1cscc1C 575549547 352634977 /nfs/dbraw/zinc/63/49/77/352634977.db2.gz KPOACNQUCJPNAQ-ONEGZZNKSA-N 0 0 166.245 2.815 10 30 AFEERN CC(C)=CC(=O)C=C(C)Cl 575550012 352636798 /nfs/dbraw/zinc/63/67/98/352636798.db2.gz NMIZCFDRSDNWLS-UHFFFAOYSA-N 0 0 158.628 2.664 10 30 AFEERN C=C(C)C[C@@]1(C=O)CC1(C)C 575550182 352637465 /nfs/dbraw/zinc/63/74/65/352637465.db2.gz QAXDLSQQUZQVIJ-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C[C@]1(C=O)CC1(C)C 575550184 352637537 /nfs/dbraw/zinc/63/75/37/352637537.db2.gz QAXDLSQQUZQVIJ-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@H](C)[C@@]1(C=O)CC1(C)C 575550263 352637972 /nfs/dbraw/zinc/63/79/72/352637972.db2.gz QWCUJMDGXXGUFP-WPRPVWTQSA-N 0 0 154.253 2.648 10 30 AFEERN CC[C@H](C)[C@]1(C=O)CC1(C)C 575550259 352638061 /nfs/dbraw/zinc/63/80/61/352638061.db2.gz QWCUJMDGXXGUFP-WCBMZHEXSA-N 0 0 154.253 2.648 10 30 AFEERN CC[C@@H](C)[C@@]1(C=O)CC1(C)C 575550258 352638196 /nfs/dbraw/zinc/63/81/96/352638196.db2.gz QWCUJMDGXXGUFP-SCZZXKLOSA-N 0 0 154.253 2.648 10 30 AFEERN CC[C@@H](C)[C@]1(C=O)CC1(C)C 575550257 352638263 /nfs/dbraw/zinc/63/82/63/352638263.db2.gz QWCUJMDGXXGUFP-PSASIEDQSA-N 0 0 154.253 2.648 10 30 AFEERN C/C=C/C(=O)[C@@H]1CC[C@H](C)C1 575550928 352639975 /nfs/dbraw/zinc/63/99/75/352639975.db2.gz WEZYQJJVJFJYCV-DXMIZCBPSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@H]1CC[C@H](C)C1 575550930 352640102 /nfs/dbraw/zinc/64/01/02/352640102.db2.gz WEZYQJJVJFJYCV-FBFNWGNUSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@@H]1CC[C@@H](C)C1 575550931 352640250 /nfs/dbraw/zinc/64/02/50/352640250.db2.gz WEZYQJJVJFJYCV-HUGTUPKYSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@H]1CC[C@@H](C)C1 575550926 352640372 /nfs/dbraw/zinc/64/03/72/352640372.db2.gz WEZYQJJVJFJYCV-BKIAHZASSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@H]1CCCC(F)(F)C1 575551236 352640629 /nfs/dbraw/zinc/64/06/29/352640629.db2.gz WRFIEEQEBYFECS-KHVHVRLGSA-N 0 0 188.217 2.957 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCCC(F)(F)C1 575551235 352640712 /nfs/dbraw/zinc/64/07/12/352640712.db2.gz WRFIEEQEBYFECS-BYDTYLDUSA-N 0 0 188.217 2.957 10 30 AFEERN CC1(C)C[C@]1(C=O)C/C=C/Cl 575551667 352642937 /nfs/dbraw/zinc/64/29/37/352642937.db2.gz XJMWMGGNLNTHBH-SGRBOOSSSA-N 0 0 172.655 2.744 10 30 AFEERN C/C=C/C(=O)c1cccc(C)c1F 575551643 352642973 /nfs/dbraw/zinc/64/29/73/352642973.db2.gz ZYZLCAILEBJOQI-HWKANZROSA-N 0 0 178.206 2.893 10 30 AFEERN CC1(C)C[C@@]1(C=O)C/C=C/Cl 575551666 352643076 /nfs/dbraw/zinc/64/30/76/352643076.db2.gz XJMWMGGNLNTHBH-HYYFJVDXSA-N 0 0 172.655 2.744 10 30 AFEERN COc1cc(CS)ccc1Cl 575552892 352647086 /nfs/dbraw/zinc/64/70/86/352647086.db2.gz JXNZAAUOEHOYRG-UHFFFAOYSA-N 0 0 188.679 2.778 10 30 AFEERN C=C(Cl)C[C@@]1(C)CCC(=O)C1 575555974 352658320 /nfs/dbraw/zinc/65/83/20/352658320.db2.gz DTPRCXLNWMVFCL-SECBINFHSA-N 0 0 172.655 2.888 10 30 AFEERN C=C(Cl)C[C@@H]1CCC(=O)[C@H]1C 575556061 352658408 /nfs/dbraw/zinc/65/84/08/352658408.db2.gz GHPSZLQNYFNJFT-YUMQZZPRSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)C[C@H]1CCC(=O)[C@H]1C 575556058 352658463 /nfs/dbraw/zinc/65/84/63/352658463.db2.gz GHPSZLQNYFNJFT-JGVFFNPUSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)C[C@@H]1CCC(=O)[C@@H]1C 575556060 352658502 /nfs/dbraw/zinc/65/85/02/352658502.db2.gz GHPSZLQNYFNJFT-SFYZADRCSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)C[C@H]1CCC(=O)[C@@H]1C 575556056 352658524 /nfs/dbraw/zinc/65/85/24/352658524.db2.gz GHPSZLQNYFNJFT-HTQZYQBOSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)C[C@]1(C)CCC(=O)C1 575555975 352658647 /nfs/dbraw/zinc/65/86/47/352658647.db2.gz DTPRCXLNWMVFCL-VIFPVBQESA-N 0 0 172.655 2.888 10 30 AFEERN C=C(Cl)CC(=O)C1CC(C)C1 575557113 352662380 /nfs/dbraw/zinc/66/23/80/352662380.db2.gz DZWNWVYWBIAKQV-UHFFFAOYSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)CC(=O)[C@@]1(C)C[C@@H]1C 575557587 352664417 /nfs/dbraw/zinc/66/44/17/352664417.db2.gz ICSSSPXPBZTBFQ-RCOVLWMOSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)CC(=O)[C@]1(C)C[C@H]1C 575557583 352664479 /nfs/dbraw/zinc/66/44/79/352664479.db2.gz ICSSSPXPBZTBFQ-HZGVNTEJSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)CC(=O)[C@@]1(C)C[C@H]1C 575557586 352664534 /nfs/dbraw/zinc/66/45/34/352664534.db2.gz ICSSSPXPBZTBFQ-MUWHJKNJSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)CC(=O)[C@]1(C)C[C@@H]1C 575557585 352664548 /nfs/dbraw/zinc/66/45/48/352664548.db2.gz ICSSSPXPBZTBFQ-IMTBSYHQSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(Cl)C[C@@H]1CCCC(=O)C1 575558148 352666913 /nfs/dbraw/zinc/66/69/13/352666913.db2.gz RCDTWWTWEGOLCX-QMMMGPOBSA-N 0 0 172.655 2.888 10 30 AFEERN C=C(Cl)C[C@H]1CCCC(=O)C1 575558146 352667096 /nfs/dbraw/zinc/66/70/96/352667096.db2.gz RCDTWWTWEGOLCX-MRVPVSSYSA-N 0 0 172.655 2.888 10 30 AFEERN CC(C)=CC(=O)[C@@]1(C)CC1(C)C 575558207 352667618 /nfs/dbraw/zinc/66/76/18/352667618.db2.gz BSXHFSQJJVCLHI-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=CC(=O)[C@]1(C)CC1(C)C 575558212 352667796 /nfs/dbraw/zinc/66/77/96/352667796.db2.gz BSXHFSQJJVCLHI-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)[C@@]1(C)CC1(C)C 575558256 352667826 /nfs/dbraw/zinc/66/78/26/352667826.db2.gz BWPHHXFYRVFBMY-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)[C@]1(C)CC1(C)C 575558249 352667874 /nfs/dbraw/zinc/66/78/74/352667874.db2.gz BWPHHXFYRVFBMY-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)Cc1cccc(F)c1O 575558458 352668522 /nfs/dbraw/zinc/66/85/22/352668522.db2.gz RKUOWZDFLLKLIC-UHFFFAOYSA-N 0 0 166.195 2.650 10 30 AFEERN C=C(Cl)C[C@]1(C#N)CCCCC1=O 575558809 352670103 /nfs/dbraw/zinc/67/01/03/352670103.db2.gz UOCUGXLJPPFLBX-JTQLQIEISA-N 0 0 197.665 2.782 10 30 AFEERN C=C(Cl)C[C@@]1(C#N)CCCCC1=O 575558812 352670400 /nfs/dbraw/zinc/67/04/00/352670400.db2.gz UOCUGXLJPPFLBX-SNVBAGLBSA-N 0 0 197.665 2.782 10 30 AFEERN C=CCC(=O)[C@]1(C)CC1(C)C 575561646 352681863 /nfs/dbraw/zinc/68/18/63/352681863.db2.gz RHSHDRCHSWPKIU-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C=CCC(=O)[C@@]1(C)CC1(C)C 575561647 352682054 /nfs/dbraw/zinc/68/20/54/352682054.db2.gz RHSHDRCHSWPKIU-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)/C=C(\C(C)C)C1CC1 575562274 352685283 /nfs/dbraw/zinc/68/52/83/352685283.db2.gz XPFZUAOHUFKFOF-UXBLZVDNSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)/C=C(/C(C)C)C1CC1 575562273 352685490 /nfs/dbraw/zinc/68/54/90/352685490.db2.gz XPFZUAOHUFKFOF-POHAHGRESA-N 0 0 152.237 2.568 10 30 AFEERN C#C[C@@H](Nc1nccs1)C(C)(C)C 575562666 352687374 /nfs/dbraw/zinc/68/73/74/352687374.db2.gz APARBMDBNOXBSC-MRVPVSSYSA-N 0 0 194.303 2.603 10 30 AFEERN C#C[C@H](Nc1nccs1)C(C)(C)C 575562669 352687488 /nfs/dbraw/zinc/68/74/88/352687488.db2.gz APARBMDBNOXBSC-QMMMGPOBSA-N 0 0 194.303 2.603 10 30 AFEERN C=C(C)Cc1cc(F)cc(F)c1O 575563644 352691486 /nfs/dbraw/zinc/69/14/86/352691486.db2.gz RCIMJUQMPRKTSD-UHFFFAOYSA-N 0 0 184.185 2.789 10 30 AFEERN C=C(Cl)C[NH2+][C@]1(C)CC1(C)C 575563836 352692799 /nfs/dbraw/zinc/69/27/99/352692799.db2.gz WTNCSTPMAHGFKL-SECBINFHSA-N 0 0 173.687 2.517 10 30 AFEERN C=C(Cl)C[NH2+][C@@]1(C)CC1(C)C 575563838 352692912 /nfs/dbraw/zinc/69/29/12/352692912.db2.gz WTNCSTPMAHGFKL-VIFPVBQESA-N 0 0 173.687 2.517 10 30 AFEERN CC(C)(C)c1nccnc1N=[N+]=[N-] 575564805 352697844 /nfs/dbraw/zinc/69/78/44/352697844.db2.gz MJNGODQQYFVJLY-UHFFFAOYSA-N 0 0 177.211 2.716 10 30 AFEERN Cc1c(Cl)cncc1N=[N+]=[N-] 575564967 352698621 /nfs/dbraw/zinc/69/86/21/352698621.db2.gz WWRYDMTWBLVLBP-UHFFFAOYSA-N 0 0 168.587 2.985 10 30 AFEERN C=C(C)Cc1c(O)cc(F)cc1F 575565903 352704365 /nfs/dbraw/zinc/70/43/65/352704365.db2.gz BEYICFDHVSWQTQ-UHFFFAOYSA-N 0 0 184.185 2.789 10 30 AFEERN C[C@@H]1c2ccccc2C[C@H]1S 575566414 352707041 /nfs/dbraw/zinc/70/70/41/352707041.db2.gz RMYZWNOCZJBPED-GMSGAONNSA-N 0 0 164.273 2.645 10 30 AFEERN C[C@H]1c2ccccc2C[C@H]1S 575566420 352707109 /nfs/dbraw/zinc/70/71/09/352707109.db2.gz RMYZWNOCZJBPED-OIBJUYFYSA-N 0 0 164.273 2.645 10 30 AFEERN C[C@H]1c2ccccc2C[C@@H]1S 575566422 352707129 /nfs/dbraw/zinc/70/71/29/352707129.db2.gz RMYZWNOCZJBPED-XVKPBYJWSA-N 0 0 164.273 2.645 10 30 AFEERN C[C@@H]1c2ccccc2C[C@@H]1S 575566421 352707296 /nfs/dbraw/zinc/70/72/96/352707296.db2.gz RMYZWNOCZJBPED-XCBNKYQSSA-N 0 0 164.273 2.645 10 30 AFEERN Cc1cocc1C(=O)/C=C/Cl 575567986 352714367 /nfs/dbraw/zinc/71/43/67/352714367.db2.gz BDPXKZHWMRCKTQ-NSCUHMNNSA-N 0 0 170.595 2.523 10 30 AFEERN CC(C)=CC(=O)[C@]1(C)C[C@@H]1C 575569852 352722432 /nfs/dbraw/zinc/72/24/32/352722432.db2.gz DYEOUPJTQRAGIH-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)=CC(=O)[C@@]1(C)C[C@H]1C 575569847 352722577 /nfs/dbraw/zinc/72/25/77/352722577.db2.gz DYEOUPJTQRAGIH-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)=CC(=O)[C@]1(C)C[C@H]1C 575569839 352722646 /nfs/dbraw/zinc/72/26/46/352722646.db2.gz DYEOUPJTQRAGIH-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)=CC(=O)[C@@]1(C)C[C@@H]1C 575569856 352722717 /nfs/dbraw/zinc/72/27/17/352722717.db2.gz DYEOUPJTQRAGIH-WPRPVWTQSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)CC(=O)[C@]1(C)C[C@@H]1C 575571691 352731630 /nfs/dbraw/zinc/73/16/30/352731630.db2.gz KQBAFLOUYLQTND-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)CC(=O)[C@@]1(C)C[C@H]1C 575571689 352731632 /nfs/dbraw/zinc/73/16/32/352731632.db2.gz KQBAFLOUYLQTND-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)CC(=O)[C@]1(C)C[C@H]1C 575571687 352731763 /nfs/dbraw/zinc/73/17/63/352731763.db2.gz KQBAFLOUYLQTND-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)CC(=O)[C@@]1(C)C[C@@H]1C 575571693 352731896 /nfs/dbraw/zinc/73/18/96/352731896.db2.gz KQBAFLOUYLQTND-WPRPVWTQSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1C[C@]1(C)C(=O)C1=CCCC1 575575344 352750805 /nfs/dbraw/zinc/75/08/05/352750805.db2.gz GBTSLEZEPGLJAX-KWQFWETISA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1C[C@@]1(C)C(=O)C1=CCCC1 575575346 352750956 /nfs/dbraw/zinc/75/09/56/352750956.db2.gz GBTSLEZEPGLJAX-LDYMZIIASA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1C[C@@]1(C)C(=O)C1=CCCC1 575575342 352751086 /nfs/dbraw/zinc/75/10/86/352751086.db2.gz GBTSLEZEPGLJAX-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1C[C@]1(C)C(=O)C1=CCCC1 575575343 352751154 /nfs/dbraw/zinc/75/11/54/352751154.db2.gz GBTSLEZEPGLJAX-KCJUWKMLSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)(C(=O)/C=C/Cl)C(F)F 575575875 352753719 /nfs/dbraw/zinc/75/37/19/352753719.db2.gz OBUINLUNMWNNFI-ONEGZZNKSA-N 0 0 182.597 2.599 10 30 AFEERN O=C(C1=CCCC1)[C@@H]1C[C@@H]2C[C@@H]2C1 575576146 352755489 /nfs/dbraw/zinc/75/54/89/352755489.db2.gz QCVRHARYAKHALM-URLYPYJESA-N 0 0 176.259 2.712 10 30 AFEERN CC(=O)C=C(C)c1nc(C)c(C)s1 575577153 352760047 /nfs/dbraw/zinc/76/00/47/352760047.db2.gz FDZDOLXHBLUBPP-WAYWQWQTSA-N 0 0 195.287 2.752 10 30 AFEERN C/C=C/C(=O)c1ccc(Cl)c(N)c1 575577185 352760075 /nfs/dbraw/zinc/76/00/75/352760075.db2.gz FSJLMJUAJWPMAG-NSCUHMNNSA-N 0 0 195.649 2.681 10 30 AFEERN C=CCC(=O)C1CC(C)(C)C1 575577260 352760585 /nfs/dbraw/zinc/76/05/85/352760585.db2.gz PAAZMARKKGMURJ-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)C1CC(C)(C)C1 575577708 352763244 /nfs/dbraw/zinc/76/32/44/352763244.db2.gz QKQIUOZMRXCWQQ-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)c1cc(C)cs1 575578507 352767742 /nfs/dbraw/zinc/76/77/42/352767742.db2.gz BAOAFCVCCRLUIH-ONEGZZNKSA-N 0 0 166.245 2.815 10 30 AFEERN C/C=C/C(=O)c1cc2c(s1)CCC2 575578416 352767990 /nfs/dbraw/zinc/76/79/90/352767990.db2.gz AHHTZYHSLMMYNC-DUXPYHPUSA-N 0 0 192.283 2.996 10 30 AFEERN C/C=C/C(=O)c1ccc(Cl)o1 575578563 352768625 /nfs/dbraw/zinc/76/86/25/352768625.db2.gz DIBAGYCYHFNFLU-NSCUHMNNSA-N 0 0 170.595 2.692 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCC[C@H]2C[C@H]21 575578539 352768640 /nfs/dbraw/zinc/76/86/40/352768640.db2.gz CLQUHESGRXAYJW-OBOPWGGJSA-N 0 0 164.248 2.568 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575578538 352768668 /nfs/dbraw/zinc/76/86/68/352768668.db2.gz CLQUHESGRXAYJW-MHVMFOFASA-N 0 0 164.248 2.568 10 30 AFEERN C/C=C/C(=O)[C@]12CCCC[C@H]1C2 575579015 352770151 /nfs/dbraw/zinc/77/01/51/352770151.db2.gz HQTYTFKMLIIBKU-BOSSYBOBSA-N 0 0 164.248 2.712 10 30 AFEERN C/C=C/C(=O)C1(C(C)C)CC1 575579013 352770089 /nfs/dbraw/zinc/77/00/89/352770089.db2.gz HPJSSFNBOGSIQY-SNAWJCMRSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@@]12CCCC[C@@H]1C2 575579022 352770108 /nfs/dbraw/zinc/77/01/08/352770108.db2.gz HQTYTFKMLIIBKU-MYMNSTQQSA-N 0 0 164.248 2.712 10 30 AFEERN C/C=C/C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 575579290 352771317 /nfs/dbraw/zinc/77/13/17/352771317.db2.gz KTLDKEHTLXRIHZ-NOTVGZETSA-N 0 0 164.248 2.568 10 30 AFEERN C/C=C/C(=O)[C@H]1CCC[C@@H]1C 575579341 352771371 /nfs/dbraw/zinc/77/13/71/352771371.db2.gz LNKUWNWVPKAELT-KRALRXKRSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)c1sccc1F 575579278 352771702 /nfs/dbraw/zinc/77/17/02/352771702.db2.gz KOKTVGMRBWHWBL-NSCUHMNNSA-N 0 0 170.208 2.646 10 30 AFEERN C/C=C/C(=O)[C@H]1CCC[C@H]1C 575579342 352771648 /nfs/dbraw/zinc/77/16/48/352771648.db2.gz LNKUWNWVPKAELT-ZHBVTVBMSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCC[C@H]1C 575579343 352771650 /nfs/dbraw/zinc/77/16/50/352771650.db2.gz LNKUWNWVPKAELT-ZZDZINKYSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCC[C@@H]1C 575579340 352771726 /nfs/dbraw/zinc/77/17/26/352771726.db2.gz LNKUWNWVPKAELT-AFRAPRFESA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 575579288 352771730 /nfs/dbraw/zinc/77/17/30/352771730.db2.gz KTLDKEHTLXRIHZ-KETIJMSOSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)=CC(=O)C1CC(C)(C)C1 575579318 352771759 /nfs/dbraw/zinc/77/17/59/352771759.db2.gz XBAVLSSSDWITBI-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)c1c(C)oc(C)c1C 575579738 352772858 /nfs/dbraw/zinc/77/28/58/352772858.db2.gz MVYHMRXOOKVEEO-AATRIKPKSA-N 0 0 178.231 2.964 10 30 AFEERN C/C=C/C(=O)[C@]1(C)CC1(C)C 575579863 352773572 /nfs/dbraw/zinc/77/35/72/352773572.db2.gz PCFSTIAHVPMVGZ-PORFMDCZSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)C1C(C)(C)C1(C)C 575579858 352773646 /nfs/dbraw/zinc/77/36/46/352773646.db2.gz OXTGDGXAVMNJHW-VOTSOKGWSA-N 0 0 166.264 2.814 10 30 AFEERN C/C=C/C(=O)[C@@]1(C)CC1(C)C 575579861 352773697 /nfs/dbraw/zinc/77/36/97/352773697.db2.gz PCFSTIAHVPMVGZ-BRAIEQGRSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)c1sc(C)nc1C 575579760 352773991 /nfs/dbraw/zinc/77/39/91/352773991.db2.gz NBJVGSSGMJEFCB-SNAWJCMRSA-N 0 0 181.260 2.519 10 30 AFEERN C/C=C/C(=O)C1CC(C)(C)C1 575579871 352774314 /nfs/dbraw/zinc/77/43/14/352774314.db2.gz PEXPEXONSFFDNL-SNAWJCMRSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)c1cc(Cl)ccc1N 575579964 352774514 /nfs/dbraw/zinc/77/45/14/352774514.db2.gz PKXCRXGKYGYBQA-NSCUHMNNSA-N 0 0 195.649 2.681 10 30 AFEERN C/C=C/C(=O)C1(C)CCCC1 575580052 352774919 /nfs/dbraw/zinc/77/49/19/352774919.db2.gz SIRMBWZOKHTKMW-ZZXKWVIFSA-N 0 0 152.237 2.712 10 30 AFEERN C/C=C/C(=O)C1CC2(CCC2)C1 575579998 352774923 /nfs/dbraw/zinc/77/49/23/352774923.db2.gz QGIAINGSMLSFBI-DUXPYHPUSA-N 0 0 164.248 2.712 10 30 AFEERN C/C=C/C(=O)[C@H](C)C1CCC1 575580178 352775592 /nfs/dbraw/zinc/77/55/92/352775592.db2.gz VYSJKMOAPAQCHF-RYEJSQLPSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@@H](C)C1CCC1 575580179 352775655 /nfs/dbraw/zinc/77/56/55/352775655.db2.gz VYSJKMOAPAQCHF-WGAJWPLOSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@H]1CCCSCC1 575580149 352775659 /nfs/dbraw/zinc/77/56/59/352775659.db2.gz VNLWLGUGQDTVBB-LXOKAJLYSA-N 0 0 184.304 2.665 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCCSCC1 575580148 352775802 /nfs/dbraw/zinc/77/58/02/352775802.db2.gz VNLWLGUGQDTVBB-HDMKULJXSA-N 0 0 184.304 2.665 10 30 AFEERN CC(=O)/C(C)=C\[C@@H]1CC1(C)C 575580248 352776404 /nfs/dbraw/zinc/77/64/04/352776404.db2.gz XQLVZLGIRMEUSG-WILPJHFFSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCCC1(C)C 575580229 352776435 /nfs/dbraw/zinc/77/64/35/352776435.db2.gz XFHUHDRZCNUWEF-DNQSNQRASA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)[C@H]1CC2CCC1CC2 575580254 352776448 /nfs/dbraw/zinc/77/64/48/352776448.db2.gz YKRBFUKYTPQVBB-WTZWAXLMSA-N 0 0 178.275 2.958 10 30 AFEERN C/C=C/C(=O)[C@@H]1CC2CCC1CC2 575580253 352776502 /nfs/dbraw/zinc/77/65/02/352776502.db2.gz YKRBFUKYTPQVBB-GKHAXVIUSA-N 0 0 178.275 2.958 10 30 AFEERN CC(=O)/C(C)=C\[C@H]1CC1(C)C 575580246 352776531 /nfs/dbraw/zinc/77/65/31/352776531.db2.gz XQLVZLGIRMEUSG-PGBBXKAQSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)/C(C)=C/[C@@H]1CC1(C)C 575580247 352776550 /nfs/dbraw/zinc/77/65/50/352776550.db2.gz XQLVZLGIRMEUSG-VPIOIWJLSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)[C@H]1CCCC1(C)C 575580231 352776590 /nfs/dbraw/zinc/77/65/90/352776590.db2.gz XFHUHDRZCNUWEF-OTQAPUNGSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)[C@H]1CCCC12CC2 575580259 352776614 /nfs/dbraw/zinc/77/66/14/352776614.db2.gz YQJPKUQOBPGSMW-HDMKULJXSA-N 0 0 164.248 2.712 10 30 AFEERN C/C=C/C(=O)c1ccoc1Cl 575580252 352776616 /nfs/dbraw/zinc/77/66/16/352776616.db2.gz XZPGOIIOZDVQKO-NSCUHMNNSA-N 0 0 170.595 2.692 10 30 AFEERN C/C=C/C(=O)[C@@H]1CCCC12CC2 575580260 352776654 /nfs/dbraw/zinc/77/66/54/352776654.db2.gz YQJPKUQOBPGSMW-LXOKAJLYSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)/C(C)=C/[C@H]1CC1(C)C 575580245 352776656 /nfs/dbraw/zinc/77/66/56/352776656.db2.gz XQLVZLGIRMEUSG-IWGCBNPKSA-N 0 0 152.237 2.568 10 30 AFEERN CC1(C)CC(C(=O)/C=C/Cl)C1 575584909 352800083 /nfs/dbraw/zinc/80/00/83/352800083.db2.gz YSQRHJHAOSDQMO-ONEGZZNKSA-N 0 0 172.655 2.744 10 30 AFEERN C[C@@H]1CCCC[C@@H]1C1(C=O)CC1 575586438 352807414 /nfs/dbraw/zinc/80/74/14/352807414.db2.gz BTOJLOMSMFWDFB-ZJUUUORDSA-N 0 0 166.264 2.792 10 30 AFEERN C[C@@H]1CCCC[C@H]1C1(C=O)CC1 575586435 352807618 /nfs/dbraw/zinc/80/76/18/352807618.db2.gz BTOJLOMSMFWDFB-NXEZZACHSA-N 0 0 166.264 2.792 10 30 AFEERN C[C@H]1CCCC[C@H]1C1(C=O)CC1 575586437 352807658 /nfs/dbraw/zinc/80/76/58/352807658.db2.gz BTOJLOMSMFWDFB-VHSXEESVSA-N 0 0 166.264 2.792 10 30 AFEERN C[C@H]1CCCC[C@@H]1C1(C=O)CC1 575586436 352807664 /nfs/dbraw/zinc/80/76/64/352807664.db2.gz BTOJLOMSMFWDFB-UWVGGRQHSA-N 0 0 166.264 2.792 10 30 AFEERN C[C@@H]1CCCC[C@@H]1CCC=O 575589182 352821131 /nfs/dbraw/zinc/82/11/31/352821131.db2.gz ULWMHPGGACPRDW-NXEZZACHSA-N 0 0 154.253 2.792 10 30 AFEERN O=C(/C=C/Cl)[C@@H]1CCCC12CC2 575589043 352821308 /nfs/dbraw/zinc/82/13/08/352821308.db2.gz NQMMHVGIFXWQOG-DKCNVOGISA-N 0 0 184.666 2.888 10 30 AFEERN C[C@H]1CCCC[C@H]1CCC=O 575589186 352821316 /nfs/dbraw/zinc/82/13/16/352821316.db2.gz ULWMHPGGACPRDW-UWVGGRQHSA-N 0 0 154.253 2.792 10 30 AFEERN O=C(/C=C/Cl)[C@H]1CCCC12CC2 575589044 352821340 /nfs/dbraw/zinc/82/13/40/352821340.db2.gz NQMMHVGIFXWQOG-HOOMWESVSA-N 0 0 184.666 2.888 10 30 AFEERN C[C@@H]1CCCC[C@H]1CCC=O 575589196 352821381 /nfs/dbraw/zinc/82/13/81/352821381.db2.gz ULWMHPGGACPRDW-ZJUUUORDSA-N 0 0 154.253 2.792 10 30 AFEERN C[C@H]1CCCC[C@@H]1CCC=O 575589192 352821548 /nfs/dbraw/zinc/82/15/48/352821548.db2.gz ULWMHPGGACPRDW-VHSXEESVSA-N 0 0 154.253 2.792 10 30 AFEERN CC(C)(CS)CC(F)(F)F 575592717 352838848 /nfs/dbraw/zinc/83/88/48/352838848.db2.gz HBJHNRFRQSYNTQ-UHFFFAOYSA-N 0 0 172.215 2.895 10 30 AFEERN S[C@H]1CCC12CCCC2 575592742 352838972 /nfs/dbraw/zinc/83/89/72/352838972.db2.gz JSTLBQYOLSPSMQ-ZETCQYMHSA-N 0 0 142.267 2.639 10 30 AFEERN SC1CCC2(CC1)CC2 575592736 352839099 /nfs/dbraw/zinc/83/90/99/352839099.db2.gz IVNCPULBXLYQEK-UHFFFAOYSA-N 0 0 142.267 2.639 10 30 AFEERN S[C@@H]1CCC12CCCC2 575592740 352839133 /nfs/dbraw/zinc/83/91/33/352839133.db2.gz JSTLBQYOLSPSMQ-SSDOTTSWSA-N 0 0 142.267 2.639 10 30 AFEERN CCC(F)(F)C(C)(C)CS 575592744 352839295 /nfs/dbraw/zinc/83/92/95/352839295.db2.gz JSXSKMCPDIOYEW-UHFFFAOYSA-N 0 0 168.252 2.988 10 30 AFEERN CC(C)(CS)CC(F)F 575592719 352839313 /nfs/dbraw/zinc/83/93/13/352839313.db2.gz IAQLDQCPUZDTMS-UHFFFAOYSA-N 0 0 154.225 2.598 10 30 AFEERN S[C@@H]1CCCC[C@H]1C1CC1 575592908 352839804 /nfs/dbraw/zinc/83/98/04/352839804.db2.gz SOHNJYVWJMNXEI-DTWKUNHWSA-N 0 0 156.294 2.885 10 30 AFEERN S[C@H]1CCCC[C@H]1C1CC1 575592911 352839899 /nfs/dbraw/zinc/83/98/99/352839899.db2.gz SOHNJYVWJMNXEI-IUCAKERBSA-N 0 0 156.294 2.885 10 30 AFEERN C[C@H](S)CC1CCCC1 575592878 352840202 /nfs/dbraw/zinc/84/02/02/352840202.db2.gz QKIONQFMFOACMH-ZETCQYMHSA-N 0 0 144.283 2.885 10 30 AFEERN S[C@H]1CCCC[C@@H]1C1CC1 575592906 352840314 /nfs/dbraw/zinc/84/03/14/352840314.db2.gz SOHNJYVWJMNXEI-BDAKNGLRSA-N 0 0 156.294 2.885 10 30 AFEERN S[C@@H]1CCCC[C@@H]1C1CC1 575592914 352840363 /nfs/dbraw/zinc/84/03/63/352840363.db2.gz SOHNJYVWJMNXEI-RKDXNWHRSA-N 0 0 156.294 2.885 10 30 AFEERN C[C@@H](S)CC1CCCC1 575592876 352840420 /nfs/dbraw/zinc/84/04/20/352840420.db2.gz QKIONQFMFOACMH-SSDOTTSWSA-N 0 0 144.283 2.885 10 30 AFEERN CC(=O)/C(C)=C\[C@@H]1CC[C@@H]2C[C@@H]2C1 575593413 352843603 /nfs/dbraw/zinc/84/36/03/352843603.db2.gz DMXJAYKNACACFN-BRPIDBKMSA-N 0 0 178.275 2.958 10 30 AFEERN CC(=O)/C(C)=C/[C@@H]1CC[C@@H]2C[C@@H]2C1 575593415 352843655 /nfs/dbraw/zinc/84/36/55/352843655.db2.gz DMXJAYKNACACFN-PJNVQTKCSA-N 0 0 178.275 2.958 10 30 AFEERN CC(=O)/C(C)=C\C1C[C@@H]2C[C@@H]2C1 575593768 352845554 /nfs/dbraw/zinc/84/55/54/352845554.db2.gz PQTLGDOOOGXEOG-PVDLAEQMSA-N 0 0 164.248 2.568 10 30 AFEERN CC(=O)/C(C)=C/C1C[C@@H]2C[C@@H]2C1 575593771 352845672 /nfs/dbraw/zinc/84/56/72/352845672.db2.gz PQTLGDOOOGXEOG-YKUMJYOWSA-N 0 0 164.248 2.568 10 30 AFEERN CC(=O)/C=C/[C@@H]1CC[C@@H]2C[C@@H]2C1 575593848 352845701 /nfs/dbraw/zinc/84/57/01/352845701.db2.gz RSVOKEKLGYONSE-ZKEFAPGFSA-N 0 0 164.248 2.568 10 30 AFEERN CC(=O)/C=C/[C@@H]1CC[C@H]2C[C@H]2C1 575593846 352845809 /nfs/dbraw/zinc/84/58/09/352845809.db2.gz RSVOKEKLGYONSE-KZIHWKMUSA-N 0 0 164.248 2.568 10 30 AFEERN CCC(C)(C)C1=CC(=O)CC1 575595659 352855845 /nfs/dbraw/zinc/85/58/45/352855845.db2.gz RLPOPFTWIAAZQZ-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@H](C)Oc1nc(Cl)cs1 575595760 352856974 /nfs/dbraw/zinc/85/69/74/352856974.db2.gz DTUBNLAYXROMJD-YFKPBYRVSA-N 0 0 189.667 2.750 10 30 AFEERN C=C[C@@H](C)Oc1nc(Cl)cs1 575595759 352857051 /nfs/dbraw/zinc/85/70/51/352857051.db2.gz DTUBNLAYXROMJD-RXMQYKEDSA-N 0 0 189.667 2.750 10 30 AFEERN CC[C@@H](C)c1ccc(C#N)c(F)n1 575597959 352860918 /nfs/dbraw/zinc/86/09/18/352860918.db2.gz SBSBFOMERKTRRR-SSDOTTSWSA-N 0 0 178.210 2.606 10 30 AFEERN Cc1cc(C#N)c(F)nc1C(C)C 575597817 352861014 /nfs/dbraw/zinc/86/10/14/352861014.db2.gz XHNNRMYUPYETGB-UHFFFAOYSA-N 0 0 178.210 2.524 10 30 AFEERN CC[C@H](C)c1ccc(C#N)c(F)n1 575597960 352861053 /nfs/dbraw/zinc/86/10/53/352861053.db2.gz SBSBFOMERKTRRR-ZETCQYMHSA-N 0 0 178.210 2.606 10 30 AFEERN CCc1ccc([C@H]2C[C@@H]2/C=N/O)cc1 575601507 352864725 /nfs/dbraw/zinc/86/47/25/352864725.db2.gz CPCUNEDVAHJNFX-CDRMENOJSA-N 0 0 189.258 2.813 10 30 AFEERN CCc1ccc([C@@H]2C[C@@H]2/C=N/O)cc1 575601508 352864889 /nfs/dbraw/zinc/86/48/89/352864889.db2.gz CPCUNEDVAHJNFX-DQSXNGOJSA-N 0 0 189.258 2.813 10 30 AFEERN CCc1ccc([C@H]2C[C@H]2/C=N/O)cc1 575601510 352865055 /nfs/dbraw/zinc/86/50/55/352865055.db2.gz CPCUNEDVAHJNFX-ZSEQQEGFSA-N 0 0 189.258 2.813 10 30 AFEERN CCc1ccc([C@@H]2C[C@H]2/C=N/O)cc1 575601509 352865087 /nfs/dbraw/zinc/86/50/87/352865087.db2.gz CPCUNEDVAHJNFX-VKXYGBLQSA-N 0 0 189.258 2.813 10 30 AFEERN Cc1ccc([C@@H]2C[C@@H]2/C=N/O)cc1 575601934 352865352 /nfs/dbraw/zinc/86/53/52/352865352.db2.gz JCURAJICGSOPFN-FXBXELPKSA-N 0 0 175.231 2.559 10 30 AFEERN Cc1ccc([C@H]2C[C@H]2/C=N/O)cc1 575601953 352865527 /nfs/dbraw/zinc/86/55/27/352865527.db2.gz JCURAJICGSOPFN-QHABWNLFSA-N 0 0 175.231 2.559 10 30 AFEERN Cc1ccc([C@H]2C[C@@H]2/C=N/O)cc1 575601952 352865560 /nfs/dbraw/zinc/86/55/60/352865560.db2.gz JCURAJICGSOPFN-FYLRKMKASA-N 0 0 175.231 2.559 10 30 AFEERN Cc1ccc([C@@H]2C[C@H]2/C=N/O)cc1 575601955 352865609 /nfs/dbraw/zinc/86/56/09/352865609.db2.gz JCURAJICGSOPFN-WKRXVSLGSA-N 0 0 175.231 2.559 10 30 AFEERN O/N=C/[C@H]1C[C@H]1c1ccc(Cl)cc1 575602621 352865962 /nfs/dbraw/zinc/86/59/62/352865962.db2.gz QXXJOCKJLBPSIQ-XYPNAMMKSA-N 0 0 195.649 2.904 10 30 AFEERN O/N=C/[C@H]1C[C@@H]1c1ccc(Cl)cc1 575602620 352866045 /nfs/dbraw/zinc/86/60/45/352866045.db2.gz QXXJOCKJLBPSIQ-WBISKFQVSA-N 0 0 195.649 2.904 10 30 AFEERN C[C@H]1[C@H](C)CC[C@H](C=O)[C@@H]1C 575602372 352866073 /nfs/dbraw/zinc/86/60/73/352866073.db2.gz MSVMOIBEFVDLNI-UTINFBMNSA-N 0 0 154.253 2.504 10 30 AFEERN O/N=C/[C@@H]1C[C@@H]1c1ccc(Cl)cc1 575602619 352866131 /nfs/dbraw/zinc/86/61/31/352866131.db2.gz QXXJOCKJLBPSIQ-JUSCSTBVSA-N 0 0 195.649 2.904 10 30 AFEERN C[C@@H]1CC[C@H](C=O)[C@H](C)[C@@H]1C 575602378 352866281 /nfs/dbraw/zinc/86/62/81/352866281.db2.gz MSVMOIBEFVDLNI-ZYUZMQFOSA-N 0 0 154.253 2.504 10 30 AFEERN C[C@@H]1[C@@H](C=O)CC[C@@H](C)[C@@H]1C 575602376 352866407 /nfs/dbraw/zinc/86/64/07/352866407.db2.gz MSVMOIBEFVDLNI-XFWSIPNHSA-N 0 0 154.253 2.504 10 30 AFEERN C[C@@H]1[C@@H](C=O)CC[C@@H](C)[C@H]1C 575602370 352866432 /nfs/dbraw/zinc/86/64/32/352866432.db2.gz MSVMOIBEFVDLNI-DOLQZWNJSA-N 0 0 154.253 2.504 10 30 AFEERN O/N=C/[C@@H]1C[C@H]1c1ccc(Cl)cc1 575602618 352866495 /nfs/dbraw/zinc/86/64/95/352866495.db2.gz QXXJOCKJLBPSIQ-DYMQPKNISA-N 0 0 195.649 2.904 10 30 AFEERN CCc1cc(CC#N)cc(C#N)c1CC 575639248 352869430 /nfs/dbraw/zinc/86/94/30/352869430.db2.gz GDAZYCSHOITIHB-UHFFFAOYSA-N 0 0 198.269 2.749 10 30 AFEERN CCc1cc(C#N)cc(CC)c1CC#N 575638673 352869496 /nfs/dbraw/zinc/86/94/96/352869496.db2.gz BRKWOLOSQFECIF-UHFFFAOYSA-N 0 0 198.269 2.749 10 30 AFEERN CCc1cc(CC)c(C#N)c(CC#N)c1 575641155 352870140 /nfs/dbraw/zinc/87/01/40/352870140.db2.gz WEZVFVCKGVMICW-UHFFFAOYSA-N 0 0 198.269 2.749 10 30 AFEERN CCc1cc(C#N)c(CC)c(CC#N)c1 575641120 352870161 /nfs/dbraw/zinc/87/01/61/352870161.db2.gz VTOLCZLQPGQDHD-UHFFFAOYSA-N 0 0 198.269 2.749 10 30 AFEERN CCc1cc(CC#N)c(CC)cc1C#N 575640025 352870182 /nfs/dbraw/zinc/87/01/82/352870182.db2.gz LALPSBCTSDTTSM-UHFFFAOYSA-N 0 0 198.269 2.749 10 30 AFEERN CCc1cc(C#N)cc(CC#N)c1CC 575641067 352870217 /nfs/dbraw/zinc/87/02/17/352870217.db2.gz VDRKJZSPTDJKRF-UHFFFAOYSA-N 0 0 198.269 2.749 10 30 AFEERN CCc1cc(C#N)c(CC#N)cc1CC 575640033 352870253 /nfs/dbraw/zinc/87/02/53/352870253.db2.gz LHCWBFCXXGYNTO-UHFFFAOYSA-N 0 0 198.269 2.749 10 30 AFEERN CCc1cc(C#N)c(CC#N)c(CC)c1 575640114 352870355 /nfs/dbraw/zinc/87/03/55/352870355.db2.gz OCLXHGRWJSJFPE-UHFFFAOYSA-N 0 0 198.269 2.749 10 30 AFEERN CCc1cc(F)c(C#N)c(CC)c1 575652083 352881501 /nfs/dbraw/zinc/88/15/01/352881501.db2.gz KNVQNTAMVHTZQV-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN CCc1cc(C)c(C#N)c(CC)c1 575652135 352881703 /nfs/dbraw/zinc/88/17/03/352881703.db2.gz LQGJKLPJSVVLOZ-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN Cc1cc(OC(F)F)c(C)cc1C#N 575652316 352881809 /nfs/dbraw/zinc/88/18/09/352881809.db2.gz DNBKNTUTWIJFQM-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN CCc1cc(C#N)c(C)c(CC)c1 575652057 352881859 /nfs/dbraw/zinc/88/18/59/352881859.db2.gz JUCJZNSLEDCQHP-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN CCc1cc(F)cc(CC)c1C#N 575652093 352881941 /nfs/dbraw/zinc/88/19/41/352881941.db2.gz LDQRJZUBJDMGPA-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN Cc1cc(OC(F)F)cc(C)c1C#N 575652280 352881967 /nfs/dbraw/zinc/88/19/67/352881967.db2.gz CTEYDPDYIBZETA-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN CCc1c(C)ccc(C#N)c1CC 575652784 352882243 /nfs/dbraw/zinc/88/22/43/352882243.db2.gz ZNWWFUWLUPWUIL-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN CCc1cc(C)cc(C#N)c1CC 575652445 352882259 /nfs/dbraw/zinc/88/22/59/352882259.db2.gz RTLGWNAOJVRQLC-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN Cc1cc(C#N)c(OC(F)F)cc1C 575652376 352882262 /nfs/dbraw/zinc/88/22/62/352882262.db2.gz FEGOYNWXVWRIID-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN Cc1cc(C)c(OC(F)F)c(C#N)c1 575652866 352882271 /nfs/dbraw/zinc/88/22/71/352882271.db2.gz MIEPHPQDSHBQEP-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN CCc1ccc(F)c(CC)c1C#N 575652761 352882274 /nfs/dbraw/zinc/88/22/74/352882274.db2.gz YOXJLPSBTRBWFQ-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN CCc1ccc(C)c(CC)c1C#N 575652446 352882312 /nfs/dbraw/zinc/88/23/12/352882312.db2.gz RUHNTEYTBZOPOC-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN CCc1ccc(C)c(C#N)c1CC 575652795 352882372 /nfs/dbraw/zinc/88/23/72/352882372.db2.gz ZTDXFMSIXGQRAH-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN CCc1cc(C#N)c(CC)cc1C 575652418 352882417 /nfs/dbraw/zinc/88/24/17/352882417.db2.gz RDCAUEYMHLQYCQ-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN CCc1ccc(CC)c(C#N)c1F 575652611 352882426 /nfs/dbraw/zinc/88/24/26/352882426.db2.gz VDUCSMMMAYFKIH-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN CCc1c(F)ccc(C#N)c1CC 575652736 352882456 /nfs/dbraw/zinc/88/24/56/352882456.db2.gz XJOCHNLUWTWHBY-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN CCc1cc(CC)c(C#N)cc1C 575652427 352882460 /nfs/dbraw/zinc/88/24/60/352882460.db2.gz RGNXWALMGNIRQT-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN CCc1cc(C#N)cc(F)c1CC 575652363 352882464 /nfs/dbraw/zinc/88/24/64/352882464.db2.gz QJGVCHKTPHJPOD-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN CCc1cc(C#N)cc(C)c1CC 575652407 352882494 /nfs/dbraw/zinc/88/24/94/352882494.db2.gz QYCBYPIUYKYKQN-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN Cc1cc(C)c(OC(F)F)cc1C#N 575653111 352882498 /nfs/dbraw/zinc/88/24/98/352882498.db2.gz VRQMUOBAYUQOKT-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN Cc1cc(C#N)c(C)c(OC(F)F)c1 575653057 352882517 /nfs/dbraw/zinc/88/25/17/352882517.db2.gz SLFYMNJRAAYSQS-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN Cc1cc(OC(F)F)cc(C#N)c1C 575652865 352882549 /nfs/dbraw/zinc/88/25/49/352882549.db2.gz MHBFDRJQMRHKGU-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN CCc1cc(CC)c(C#N)cc1F 575652534 352882581 /nfs/dbraw/zinc/88/25/81/352882581.db2.gz TWKJJXAAUOPPRI-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN CCc1ccc(C#N)c(F)c1CC 575652444 352882626 /nfs/dbraw/zinc/88/26/26/352882626.db2.gz RSWCKIBWBCSLPU-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN CCc1cc(F)c(CC)c(C#N)c1 575652423 352882637 /nfs/dbraw/zinc/88/26/37/352882637.db2.gz REMLNVJMVFRPQO-UHFFFAOYSA-N 0 0 177.222 2.822 10 30 AFEERN Cc1cc(C)c(C#N)c(OC(F)F)c1 575653074 352882689 /nfs/dbraw/zinc/88/26/89/352882689.db2.gz TVKGOEGOFZXWBE-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN CCc1cc(C)c(CC)c(C#N)c1 575652804 352882646 /nfs/dbraw/zinc/88/26/46/352882646.db2.gz ZWIFHMHNJWHBAH-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN Cc1cc(C#N)cc(OC(F)F)c1C 575653116 352882655 /nfs/dbraw/zinc/88/26/55/352882655.db2.gz WCGWVPJTOMALJF-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN Cc1cc(C(F)F)c(C#N)cc1O 575666882 352883160 /nfs/dbraw/zinc/88/31/60/352883160.db2.gz BNFANILTCAXDJZ-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1c(C#N)ccc(C(F)F)c1O 575668101 352883186 /nfs/dbraw/zinc/88/31/86/352883186.db2.gz JKTRLBUOWOPHGC-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(C(F)F)cc(C#N)c1O 575667460 352883276 /nfs/dbraw/zinc/88/32/76/352883276.db2.gz FQAILIQCQCVTJK-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(O)cc(C(F)F)c1C#N 575668181 352883289 /nfs/dbraw/zinc/88/32/89/352883289.db2.gz LEZREBBVFSDFKD-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1c(C#N)cc(O)cc1C(F)F 575668059 352883321 /nfs/dbraw/zinc/88/33/21/352883321.db2.gz INZXGDIATNMQJW-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(C#N)c(C(F)F)cc1O 575668150 352883325 /nfs/dbraw/zinc/88/33/25/352883325.db2.gz KSFNCJLVACZGRM-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(C#N)cc(O)c1C(F)F 575667516 352883363 /nfs/dbraw/zinc/88/33/63/352883363.db2.gz GDIOBFPLNVVTIW-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(O)c(C#N)cc1C(F)F 575667513 352883371 /nfs/dbraw/zinc/88/33/71/352883371.db2.gz GAFKHSNUPMAGSQ-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(O)cc(C#N)c1C(F)F 575667496 352883412 /nfs/dbraw/zinc/88/34/12/352883412.db2.gz FRLWXPLFUKRYIG-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(O)c(C(F)F)c(C#N)c1 575669433 352883883 /nfs/dbraw/zinc/88/38/83/352883883.db2.gz VHMZQSGTMGSKIV-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(F)c(C(F)F)c(C#N)c1 575669596 352883901 /nfs/dbraw/zinc/88/39/01/352883901.db2.gz FCLYZQCOBGPZRW-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1c(O)cc(C#N)cc1C(F)F 575669405 352883908 /nfs/dbraw/zinc/88/39/08/352883908.db2.gz URKOQCHQHYHWJF-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1c(O)cc(C(F)F)cc1C#N 575668954 352883986 /nfs/dbraw/zinc/88/39/86/352883986.db2.gz QLKHRAPFDNTOBZ-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1c(F)cc(C(F)F)cc1C#N 575669547 352883995 /nfs/dbraw/zinc/88/39/95/352883995.db2.gz BBHCOBKEKDQMQJ-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1cc(C(F)F)c(O)cc1C#N 575669473 352884093 /nfs/dbraw/zinc/88/40/93/352884093.db2.gz WXSXSACFOBJECB-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(C(F)F)cc(O)c1C#N 575668932 352884110 /nfs/dbraw/zinc/88/41/10/352884110.db2.gz QDBRDMACJPZMCL-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1c(F)cc(C#N)cc1C(F)F 575669738 352884158 /nfs/dbraw/zinc/88/41/58/352884158.db2.gz MFOLTFVFFTVGIB-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1c(C#N)cc(F)cc1C(F)F 575669769 352884209 /nfs/dbraw/zinc/88/42/09/352884209.db2.gz NHHUDLAIZWOPEE-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1cc(C#N)c(O)cc1C(F)F 575668833 352884230 /nfs/dbraw/zinc/88/42/30/352884230.db2.gz OLKARULKLKADPY-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(F)cc(C#N)c1C(F)F 575669641 352884242 /nfs/dbraw/zinc/88/42/42/352884242.db2.gz HAPOQPSVMYFRSE-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1cc(F)c(C(F)F)cc1C#N 575669796 352884248 /nfs/dbraw/zinc/88/42/48/352884248.db2.gz OIMCKEFELNELOA-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1cc(F)cc(C(F)F)c1C#N 575669744 352884260 /nfs/dbraw/zinc/88/42/60/352884260.db2.gz MJEPSCSAZURJKS-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1cc(C(F)F)c(C#N)cc1F 575669534 352884265 /nfs/dbraw/zinc/88/42/65/352884265.db2.gz AKDYEHZMEXAENJ-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1cc(F)c(C#N)c(C(F)F)c1 575669663 352884273 /nfs/dbraw/zinc/88/42/73/352884273.db2.gz IJXDFSJZBIDOKG-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1cc(O)c(C#N)c(C(F)F)c1 575668880 352884280 /nfs/dbraw/zinc/88/42/80/352884280.db2.gz PDNAYIBRBYLSPE-UHFFFAOYSA-N 0 0 183.157 2.510 10 30 AFEERN Cc1cc(C#N)cc(C(F)F)c1F 575669606 352884287 /nfs/dbraw/zinc/88/42/87/352884287.db2.gz FQNKQMVWZPSTLL-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN Cc1cc(F)c(C#N)cc1C(F)F 575669895 352884400 /nfs/dbraw/zinc/88/44/00/352884400.db2.gz RVUDIRXOFOPHHP-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN CCc1cc(C#N)cc(F)c1C 575670100 352884405 /nfs/dbraw/zinc/88/44/05/352884405.db2.gz DTWOHJOYHOYZLD-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1cc(C)c(CC)c(C#N)c1 575670329 352884409 /nfs/dbraw/zinc/88/44/09/352884409.db2.gz JOBAXVTUSSDHQS-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1ccc(CC)c(F)c1C#N 575670217 352884422 /nfs/dbraw/zinc/88/44/22/352884422.db2.gz GXKOAMWCVUUWQI-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1cc(C)c(F)cc1C#N 575670486 352884430 /nfs/dbraw/zinc/88/44/30/352884430.db2.gz IXWLKWCKVNWSFR-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN Cc1cc(C(F)F)c(F)cc1C#N 575669808 352884433 /nfs/dbraw/zinc/88/44/33/352884433.db2.gz OWCIIPVRNTUSAL-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN CCc1cc(C)c(C#N)c(F)c1 575670425 352884459 /nfs/dbraw/zinc/88/44/59/352884459.db2.gz HLFOBKGPLVXVRL-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1c(CC)ccc(C#N)c1C 575670037 352884473 /nfs/dbraw/zinc/88/44/73/352884473.db2.gz DDAJCFYYECEUEL-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1ccc(C#N)c(C)c1CC 575670340 352884476 /nfs/dbraw/zinc/88/44/76/352884476.db2.gz JWNUFKNLBQHHNT-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1cc(C)c(F)c(C#N)c1 575670113 352884494 /nfs/dbraw/zinc/88/44/94/352884494.db2.gz FLSZTOIRNDTTGX-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCc1c(C#N)ccc(F)c1C 575670114 352884515 /nfs/dbraw/zinc/88/45/15/352884515.db2.gz FLYCEOUSEHTNCI-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCc1ccc(C)c(C#N)c1F 575669926 352884534 /nfs/dbraw/zinc/88/45/34/352884534.db2.gz AOYVMUDWDAIESI-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1cc(C)c(C#N)cc1CC 575669995 352884546 /nfs/dbraw/zinc/88/45/46/352884546.db2.gz CHKHJUWMODZLKB-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1c(F)cc(C)cc1C#N 575669980 352884577 /nfs/dbraw/zinc/88/45/77/352884577.db2.gz AWQJPCSZNGRLPN-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN Cc1cc(C#N)c(F)cc1C(F)F 575670252 352884587 /nfs/dbraw/zinc/88/45/87/352884587.db2.gz YHRFLFRXIJORLZ-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN CCOc1c(F)cc(CC)cc1C#N 575670051 352884592 /nfs/dbraw/zinc/88/45/92/352884592.db2.gz DQHRMUWMLJYLOW-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(C#N)cc(CC)c1F 575670030 352884619 /nfs/dbraw/zinc/88/46/19/352884619.db2.gz CZVJIISXACPVLB-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN Cc1c(C#N)ccc(C(F)F)c1F 575669810 352884623 /nfs/dbraw/zinc/88/46/23/352884623.db2.gz OWWMOERJGMLODS-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN CCc1cc(C#N)c(F)cc1C 575670499 352884629 /nfs/dbraw/zinc/88/46/29/352884629.db2.gz JRFRJXUYEZOERV-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN Cc1cc(C(F)F)cc(C#N)c1F 575670326 352884633 /nfs/dbraw/zinc/88/46/33/352884633.db2.gz ZVGZYXMAFWEIPB-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN CCOc1cc(CC)cc(C#N)c1C 575670284 352884647 /nfs/dbraw/zinc/88/46/47/352884647.db2.gz ILWSXNZBZVKFEJ-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1cc(C)cc(F)c1C#N 575670102 352884651 /nfs/dbraw/zinc/88/46/51/352884651.db2.gz DWSBXULCQFCGTK-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1cc(CC)cc(F)c1C#N 575669994 352884657 /nfs/dbraw/zinc/88/46/57/352884657.db2.gz CGXJNVGHYOCTIM-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1cc(F)c(C)cc1C#N 575670090 352884661 /nfs/dbraw/zinc/88/46/61/352884661.db2.gz DDVPNXTWYGKSIM-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1ccc(CC)c(C#N)c1C 575670040 352884670 /nfs/dbraw/zinc/88/46/70/352884670.db2.gz DFGKCXWPICZRCH-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1cc(C)c(CC)cc1C#N 575670032 352884676 /nfs/dbraw/zinc/88/46/76/352884676.db2.gz DBJLHJJNFQFXHW-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1ccc(C#N)c(C)c1F 575670126 352884714 /nfs/dbraw/zinc/88/47/14/352884714.db2.gz GEZURYUNOWHVIB-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1cc(CC)c(F)cc1C#N 575670348 352884719 /nfs/dbraw/zinc/88/47/19/352884719.db2.gz KELXSYMSPKKUHY-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN Cc1cc(C#N)c(C(F)F)cc1F 575669981 352884726 /nfs/dbraw/zinc/88/47/26/352884726.db2.gz USUDBHHVMRYUPY-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN CCOc1cc(C#N)cc(F)c1CC 575670244 352884743 /nfs/dbraw/zinc/88/47/43/352884743.db2.gz HNBFZDKLMLJYBG-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1c(C#N)ccc(CC)c1C 575669843 352884750 /nfs/dbraw/zinc/88/47/50/352884750.db2.gz ALRAXEUYNLTWAQ-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1ccc(F)c(C)c1C#N 575670062 352884785 /nfs/dbraw/zinc/88/47/85/352884785.db2.gz BNRQOSZQLXVZMU-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1ccc(CC)c(C#N)c1F 575670029 352884806 /nfs/dbraw/zinc/88/48/06/352884806.db2.gz CYHROBYVOYERDE-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1cc(F)cc(C#N)c1C 575670470 352884823 /nfs/dbraw/zinc/88/48/23/352884823.db2.gz IISMMRLXSWVERO-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1cc(C#N)c(F)c(CC)c1 575670060 352884843 /nfs/dbraw/zinc/88/48/43/352884843.db2.gz FAOOOGDAAQPGLV-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1c(F)ccc(CC)c1C#N 575670331 352884849 /nfs/dbraw/zinc/88/48/49/352884849.db2.gz JOUIXUCTFQBIAE-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1ccc(C#N)c(F)c1CC 575669845 352884859 /nfs/dbraw/zinc/88/48/59/352884859.db2.gz AOPHRFGHRWOMIS-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(C#N)c(C)cc1CC 575670010 352884900 /nfs/dbraw/zinc/88/49/00/352884900.db2.gz CRGJYUVWGLPYHI-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1cc(CC)c(C)cc1C#N 575670314 352884930 /nfs/dbraw/zinc/88/49/30/352884930.db2.gz JHUAOENSLSYBFT-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1ccc(C)c(CC)c1C#N 575670215 352884938 /nfs/dbraw/zinc/88/49/38/352884938.db2.gz GTPCDYKFYHBZFC-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1c(CC)ccc(C)c1C#N 575670009 352884945 /nfs/dbraw/zinc/88/49/45/352884945.db2.gz CQFDFZDKLNFRJQ-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1c(C#N)ccc(C)c1CC 575670209 352884957 /nfs/dbraw/zinc/88/49/57/352884957.db2.gz GQEPCNRELOQRTB-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN Cc1cc(C#N)c(F)c(C(F)F)c1 575669887 352884962 /nfs/dbraw/zinc/88/49/62/352884962.db2.gz RKXHUWYSFNJQRN-UHFFFAOYSA-N 0 0 185.148 2.943 10 30 AFEERN CCOc1c(F)cc(C#N)cc1CC 575670578 352885234 /nfs/dbraw/zinc/88/52/34/352885234.db2.gz NBODUZBLBSULRP-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(C#N)c(C)c(CC)c1 575670538 352885242 /nfs/dbraw/zinc/88/52/42/352885242.db2.gz KTWAMLALNQRNRI-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1cc(F)c(C)c(C#N)c1 575670791 352885278 /nfs/dbraw/zinc/88/52/78/352885278.db2.gz LSFBTYJSJPDKRN-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1c(C)cc(C#N)cc1CC 575670601 352885283 /nfs/dbraw/zinc/88/52/83/352885283.db2.gz OHSRSWRDVHUZCW-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1ccc(C#N)c(CC)c1C 575670923 352885288 /nfs/dbraw/zinc/88/52/88/352885288.db2.gz PVVCGKUPKYBTJE-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1cc(C)c(C)c(C#N)c1 575670895 352885295 /nfs/dbraw/zinc/88/52/95/352885295.db2.gz CYSUTRKSCPWKCH-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCOc1cc(C)c(C#N)c(CC)c1 575671032 352885335 /nfs/dbraw/zinc/88/53/35/352885335.db2.gz SCMIPZGYGXUPKJ-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1c(C#N)ccc(F)c1CC 575670536 352885375 /nfs/dbraw/zinc/88/53/75/352885375.db2.gz KRZQAUWKPMJCHT-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(C)cc(CC)c1C#N 575670556 352885402 /nfs/dbraw/zinc/88/54/02/352885402.db2.gz LZPFQHQGTYRZSR-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1cc(F)c(CC)cc1C#N 575670995 352885409 /nfs/dbraw/zinc/88/54/09/352885409.db2.gz RNBCDNHBAKXOIF-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(F)c(CC)c(C#N)c1 575671106 352885436 /nfs/dbraw/zinc/88/54/36/352885436.db2.gz UGUXUWWNOCWMOH-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1cc(C#N)cc(C)c1C 575671145 352885441 /nfs/dbraw/zinc/88/54/41/352885441.db2.gz HSEWZFXSMVGYHL-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN CCOc1cc(C#N)c(CC)cc1F 575670608 352885448 /nfs/dbraw/zinc/88/54/48/352885448.db2.gz OQADFEYTISTNFD-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(C#N)c(CC)cc1C 575670593 352885472 /nfs/dbraw/zinc/88/54/72/352885472.db2.gz ODULATAXWNSGSV-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1ccc(C)c(C#N)c1CC 575671002 352885490 /nfs/dbraw/zinc/88/54/90/352885490.db2.gz RQUNYIYTIOUEOZ-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1cc(C)cc(C#N)c1C 575671039 352885497 /nfs/dbraw/zinc/88/54/97/352885497.db2.gz GJORHHJUBNRWRQ-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCOc1c(C#N)cc(C)cc1CC 575671110 352885504 /nfs/dbraw/zinc/88/55/04/352885504.db2.gz ULGGTCAQULIBBE-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1c(C#N)ccc(C)c1C 575670931 352885553 /nfs/dbraw/zinc/88/55/53/352885553.db2.gz DXYFJPZWQSZUFR-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN CCOc1cc(C#N)cc(CC)c1C 575670569 352885571 /nfs/dbraw/zinc/88/55/71/352885571.db2.gz MGXDTRKIGBDQMM-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1cc(C#N)cc(C)c1F 575670873 352885579 /nfs/dbraw/zinc/88/55/79/352885579.db2.gz NQFNMJATOKJYEY-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1cc(F)c(C#N)cc1CC 575671064 352885603 /nfs/dbraw/zinc/88/56/03/352885603.db2.gz SOFYTSFGNSTEPU-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(F)c(C#N)c(CC)c1 575670618 352885622 /nfs/dbraw/zinc/88/56/22/352885622.db2.gz PCJBEIALOKMYOC-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1ccc(C)c(C)c1C#N 575671031 352885629 /nfs/dbraw/zinc/88/56/29/352885629.db2.gz FZPIKYITJDOJPU-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCOc1c(C)cc(CC)cc1C#N 575670930 352885663 /nfs/dbraw/zinc/88/56/63/352885663.db2.gz PWYFGYSAYYQXKN-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1cc(C)cc(C#N)c1C 575671062 352885668 /nfs/dbraw/zinc/88/56/68/352885668.db2.gz GSOIPLFEIVVABL-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN CCc1cc(F)cc(C)c1C#N 575670824 352885690 /nfs/dbraw/zinc/88/56/90/352885690.db2.gz MZOBESQLKREZEV-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCc1ccc(F)c(C#N)c1C 575671285 352885695 /nfs/dbraw/zinc/88/56/95/352885695.db2.gz PZZZQXPWQAYHME-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1ccc(CC)c(C)c1C#N 575671354 352886097 /nfs/dbraw/zinc/88/60/97/352886097.db2.gz WUCHRUAGHFWCFI-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCOc1c(C)ccc(CC)c1C#N 575671412 352886099 /nfs/dbraw/zinc/88/60/99/352886099.db2.gz XNQDXRNQKBSMIC-UHFFFAOYSA-N 0 0 189.258 2.828 10 30 AFEERN CCc1cc(C)cc(C#N)c1F 575671836 352886101 /nfs/dbraw/zinc/88/61/01/352886101.db2.gz YKOIAFYWLWAEDM-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCc1c(C)cc(C#N)cc1C 575671873 352886108 /nfs/dbraw/zinc/88/61/08/352886108.db2.gz QORMGSJTOMZUBD-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN CCOc1c(F)ccc(C#N)c1CC 575671609 352886188 /nfs/dbraw/zinc/88/61/88/352886188.db2.gz ZKSHIWIWRWCXOJ-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1cc(F)cc(C#N)c1CC 575671515 352886203 /nfs/dbraw/zinc/88/62/03/352886203.db2.gz YKMKEBDUHVAASB-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCOc1c(CC)ccc(F)c1C#N 575671570 352886206 /nfs/dbraw/zinc/88/62/06/352886206.db2.gz ZBUUWAXWEXVWTQ-UHFFFAOYSA-N 0 0 193.221 2.658 10 30 AFEERN CCc1ccc(C)c(F)c1C#N 575671813 352886224 /nfs/dbraw/zinc/88/62/24/352886224.db2.gz XQTWJQOEVQUBIH-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN CCOc1c(C)ccc(C#N)c1C 575671961 352886234 /nfs/dbraw/zinc/88/62/34/352886234.db2.gz SKWLQKAEGJDDPL-UHFFFAOYSA-N 0 0 175.231 2.574 10 30 AFEERN CCOc1cc(C)cc(CC#N)c1C 575694744 352886708 /nfs/dbraw/zinc/88/67/08/352886708.db2.gz BWLNAWXJCSRUHH-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN CCc1c(C)ccc(C)c1CC#N 575694908 352886789 /nfs/dbraw/zinc/88/67/89/352886789.db2.gz CGFCXTTWXVTQGQ-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCc1cc(F)cc(CC#N)c1F 575695025 352886847 /nfs/dbraw/zinc/88/68/47/352886847.db2.gz LRHITNITEOBHEQ-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN CCc1ccc(F)c(F)c1CC#N 575694228 352886922 /nfs/dbraw/zinc/88/69/22/352886922.db2.gz FFGOSJWHXYSCAD-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN CCc1cc(F)c(CC#N)c(F)c1 575694391 352886984 /nfs/dbraw/zinc/88/69/84/352886984.db2.gz HHMVGPMBXMLZAA-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN CCc1ccc(C)c(C)c1CC#N 575695204 352887245 /nfs/dbraw/zinc/88/72/45/352887245.db2.gz FTLIGVQWXACGDM-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCc1cc(F)c(CC#N)cc1F 575695787 352887318 /nfs/dbraw/zinc/88/73/18/352887318.db2.gz RBQGGOYGTIXVOH-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN CCOc1cc(F)c(CC#N)cc1C 575695740 352887439 /nfs/dbraw/zinc/88/74/39/352887439.db2.gz GBCNQHHCIJTAKC-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCc1c(F)cc(F)cc1CC#N 575695720 352887450 /nfs/dbraw/zinc/88/74/50/352887450.db2.gz QMXLUXYSKKJBQH-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN CCOc1cc(F)c(C)c(CC#N)c1 575696024 352887513 /nfs/dbraw/zinc/88/75/13/352887513.db2.gz IQSORWKDKDXFIM-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCc1cc(C)c(CC#N)cc1C 575695269 352887561 /nfs/dbraw/zinc/88/75/61/352887561.db2.gz GVEDYJBLCIWANQ-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCc1cc(F)cc(F)c1CC#N 575695950 352887565 /nfs/dbraw/zinc/88/75/65/352887565.db2.gz SUVFRVSLISAWGE-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN CCc1cc(F)c(F)cc1CC#N 575695902 352887732 /nfs/dbraw/zinc/88/77/32/352887732.db2.gz RXUVOWHRXBZTRE-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN CCOc1cc(CC#N)cc(F)c1C 575695346 352887737 /nfs/dbraw/zinc/88/77/37/352887737.db2.gz FPBTYZRHJWAMBV-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCOc1cc(C)c(F)c(CC#N)c1 575695298 352887762 /nfs/dbraw/zinc/88/77/62/352887762.db2.gz DXLPWOPIPCNXMA-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCOc1cc(F)c(C)cc1CC#N 575695895 352887773 /nfs/dbraw/zinc/88/77/73/352887773.db2.gz HJLOZBZPOMNVQX-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCc1cc(C)c(CC#N)c(C)c1 575696666 352888114 /nfs/dbraw/zinc/88/81/14/352888114.db2.gz PVUBVAXBNYQWJX-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCc1cc(C)cc(CC#N)c1C 575696183 352888121 /nfs/dbraw/zinc/88/81/21/352888121.db2.gz LLLLAUWVSBXPCT-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCOc1cc(C)c(CC#N)cc1F 575696246 352888123 /nfs/dbraw/zinc/88/81/23/352888123.db2.gz KXUGIEMOYNKQIU-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCOc1cc(C)cc(C)c1CC#N 575696306 352888202 /nfs/dbraw/zinc/88/82/02/352888202.db2.gz NHYALMNPKCLIND-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN CCOc1c(C)ccc(C)c1CC#N 575696098 352888248 /nfs/dbraw/zinc/88/82/48/352888248.db2.gz KHGOSVDNODNTMV-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN CCOc1cc(CC#N)c(C)cc1F 575696047 352888255 /nfs/dbraw/zinc/88/82/55/352888255.db2.gz IXWIOHOHPWAETF-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCc1c(F)ccc(F)c1CC#N 575696558 352888322 /nfs/dbraw/zinc/88/83/22/352888322.db2.gz YHWUUUJWQFKIRT-UHFFFAOYSA-N 0 0 181.185 2.593 10 30 AFEERN CCOc1cc(C)c(C)c(CC#N)c1 575696248 352888347 /nfs/dbraw/zinc/88/83/47/352888347.db2.gz MFFIXSQRRSFFMG-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN CCOc1c(C)ccc(F)c1CC#N 575697275 352888819 /nfs/dbraw/zinc/88/88/19/352888819.db2.gz UCNYLKPTKVQARJ-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCOc1ccc(C)c(C)c1CC#N 575696779 352888824 /nfs/dbraw/zinc/88/88/24/352888824.db2.gz RJIGZORTMZEJPZ-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN CCc1c(C)cc(C)cc1CC#N 575696820 352888860 /nfs/dbraw/zinc/88/88/60/352888860.db2.gz SABDGTGKESNUAR-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCOc1cc(C)c(C)cc1CC#N 575696859 352888944 /nfs/dbraw/zinc/88/89/44/352888944.db2.gz SSOOWOZFKZMBEN-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN CCOc1cc(F)cc(CC#N)c1C 575696838 352888952 /nfs/dbraw/zinc/88/89/52/352888952.db2.gz OIPQJOYPRHEHIM-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCc1ccc(C)c(CC#N)c1C 575696930 352888955 /nfs/dbraw/zinc/88/89/55/352888955.db2.gz UQGOENRNCIZSDU-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCOc1cc(CC#N)c(C)cc1C 575696729 352888966 /nfs/dbraw/zinc/88/89/66/352888966.db2.gz QKEBOBCTMIHPIM-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN CCc1cc(C)cc(C)c1CC#N 575696818 352888968 /nfs/dbraw/zinc/88/89/68/352888968.db2.gz RZGKHPWCOWNCFU-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCOc1cc(F)cc(C)c1CC#N 575696829 352888979 /nfs/dbraw/zinc/88/89/79/352888979.db2.gz OFCDVLFILSAWMX-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCc1cc(C)c(C)cc1CC#N 575697204 352888982 /nfs/dbraw/zinc/88/89/82/352888982.db2.gz ZRQGJZCCMYHXLJ-UHFFFAOYSA-N 0 0 173.259 2.932 10 30 AFEERN CCOc1cc(C)cc(F)c1CC#N 575696900 352888997 /nfs/dbraw/zinc/88/89/97/352888997.db2.gz PBWVQCAWHXCCDQ-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCOc1cc(C)c(F)cc1CC#N 575697573 352889560 /nfs/dbraw/zinc/88/95/60/352889560.db2.gz XIFZUHSDZGEUFR-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCOc1cc(C)cc(CC#N)c1F 575697656 352889627 /nfs/dbraw/zinc/88/96/27/352889627.db2.gz ZVMZUQPXFCZPNY-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCOc1cc(C)c(CC#N)c(F)c1 575697641 352889866 /nfs/dbraw/zinc/88/98/66/352889866.db2.gz ZFBDIKSNVPHHAD-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN CCc1cc(C)c(CC#N)cc1F 575701906 352889975 /nfs/dbraw/zinc/88/99/75/352889975.db2.gz KZQSEAAQNQPGQL-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1c(C)ccc(F)c1CC#N 575701738 352890001 /nfs/dbraw/zinc/89/00/01/352890001.db2.gz GBIJICYPGRHAIM-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1cc(C)c(OC)cc1CC#N 575702253 352890011 /nfs/dbraw/zinc/89/00/11/352890011.db2.gz FPHBBJYBQLUFOC-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1ccc(C)c(F)c1CC#N 575701832 352890123 /nfs/dbraw/zinc/89/01/23/352890123.db2.gz JZICGAVDEAAVTG-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1ccc(C)c(CC#N)c1F 575702256 352890134 /nfs/dbraw/zinc/89/01/34/352890134.db2.gz MLYHJHMISSOJGU-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1c(C)ccc(CC#N)c1F 575701582 352890140 /nfs/dbraw/zinc/89/01/40/352890140.db2.gz FIHQECMXSMDQTD-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1cc(C)cc(CC#N)c1F 575702248 352890196 /nfs/dbraw/zinc/89/01/96/352890196.db2.gz MJUPPDGEXBZROY-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1cc(C)c(F)cc1CC#N 575702236 352890228 /nfs/dbraw/zinc/89/02/28/352890228.db2.gz MGFYCBKWIGVQSZ-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1cc(C)cc(F)c1CC#N 575701774 352890364 /nfs/dbraw/zinc/89/03/64/352890364.db2.gz IAVRBFVEMKXWEH-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1cc(F)c(C)c(CC#N)c1 575701824 352890399 /nfs/dbraw/zinc/89/03/99/352890399.db2.gz JNLWQTWVWLQQNW-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1cc(CC#N)cc(C)c1F 575701758 352890466 /nfs/dbraw/zinc/89/04/66/352890466.db2.gz HBCDGXBFKKWPGA-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1c(CC#N)ccc(C)c1F 575702251 352890507 /nfs/dbraw/zinc/89/05/07/352890507.db2.gz MKBKUQNFRWPKOB-UHFFFAOYSA-N 0 0 177.222 2.763 10 30 AFEERN CCc1cc(CC#N)c(C)cc1OC 575704720 352891011 /nfs/dbraw/zinc/89/10/11/352891011.db2.gz XOLCRBVXGIKGDJ-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1cc(OC)c(C)cc1CC#N 575703894 352891140 /nfs/dbraw/zinc/89/11/40/352891140.db2.gz QXHMXCOHHVFFQB-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1cc(OC)c(CC#N)cc1C 575704610 352891261 /nfs/dbraw/zinc/89/12/61/352891261.db2.gz WRHZZQQHNBAJCE-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1cc(C)c(CC#N)c(OC)c1 575703951 352891315 /nfs/dbraw/zinc/89/13/15/352891315.db2.gz RZTDXIFRFDADJY-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1c(C)cc(OC)cc1CC#N 575704769 352891330 /nfs/dbraw/zinc/89/13/30/352891330.db2.gz YNSKLQACGKZFDL-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1cc(CC#N)c(OC)cc1C 575704694 352891397 /nfs/dbraw/zinc/89/13/97/352891397.db2.gz XINVSHNENOJPGH-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1cc(OC)cc(C)c1CC#N 575704556 352891428 /nfs/dbraw/zinc/89/14/28/352891428.db2.gz WNYKYEIUGXVXMS-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CSc1ccc(CC#N)c(F)c1C 575710744 352892581 /nfs/dbraw/zinc/89/25/81/352892581.db2.gz WJQJHODAUIEFMX-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CSc1ccc(F)c(C)c1CC#N 575710764 352892583 /nfs/dbraw/zinc/89/25/83/352892583.db2.gz WZKBLAUTGADKNB-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CSc1c(F)ccc(C)c1CC#N 575710240 352892667 /nfs/dbraw/zinc/89/26/67/352892667.db2.gz RMBGLRNMOFBGPV-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CSc1cc(C)c(F)c(CC#N)c1 575709605 352892684 /nfs/dbraw/zinc/89/26/84/352892684.db2.gz MDLAHTKONFKISE-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CSc1c(C)ccc(F)c1CC#N 575709078 352892711 /nfs/dbraw/zinc/89/27/11/352892711.db2.gz HQJWCZLKWDSTMX-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CSc1c(C)ccc(CC#N)c1F 575710710 352892747 /nfs/dbraw/zinc/89/27/47/352892747.db2.gz UPZSTZRRATXZOC-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CSc1cc(C)cc(F)c1CC#N 575709016 352892750 /nfs/dbraw/zinc/89/27/50/352892750.db2.gz GURPYZJVMXENKM-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CSc1ccc(C)c(F)c1CC#N 575710732 352892813 /nfs/dbraw/zinc/89/28/13/352892813.db2.gz VUUNUMAMKSMPQL-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CSc1cc(F)c(C)c(CC#N)c1 575710144 352892836 /nfs/dbraw/zinc/89/28/36/352892836.db2.gz QHMBOBZEMOPXKN-UHFFFAOYSA-N 0 0 195.262 2.922 10 30 AFEERN CCc1c(Cl)cc(N)cc1CC#N 575715522 352893311 /nfs/dbraw/zinc/89/33/11/352893311.db2.gz ILNBIJFXVUMDDY-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(Cl)cc(N)c1CC#N 575715601 352893342 /nfs/dbraw/zinc/89/33/42/352893342.db2.gz LEQAITALJZSPDB-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(N)c(CC#N)c(Cl)c1 575715446 352893376 /nfs/dbraw/zinc/89/33/76/352893376.db2.gz FIHIWJKVPPJFME-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(N)cc(CC#N)c1Cl 575715456 352893448 /nfs/dbraw/zinc/89/34/48/352893448.db2.gz FXMQDQFXTLKNMJ-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(Cl)c(N)c(CC#N)c1 575715430 352893462 /nfs/dbraw/zinc/89/34/62/352893462.db2.gz CVLWEDAHCZQPSV-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(N)c(Cl)c(CC#N)c1 575715421 352893478 /nfs/dbraw/zinc/89/34/78/352893478.db2.gz CIILKKMJBLQWJK-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(Cl)c(CC#N)cc1N 575715453 352893487 /nfs/dbraw/zinc/89/34/87/352893487.db2.gz FTSSPXJFODZWPL-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1c(N)cc(Cl)cc1CC#N 575715406 352893587 /nfs/dbraw/zinc/89/35/87/352893587.db2.gz BSEPAPBLHYWSPB-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(N)cc(Cl)c1CC#N 575715462 352893589 /nfs/dbraw/zinc/89/35/89/352893589.db2.gz GPSKJTSKUOOTIT-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(CC#N)c(N)cc1Cl 575715750 352894145 /nfs/dbraw/zinc/89/41/45/352894145.db2.gz PRCXDXBCLALBFR-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(Cl)c(N)cc1CC#N 575715735 352894202 /nfs/dbraw/zinc/89/42/02/352894202.db2.gz PFCKBIRFZBHKMY-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(N)c(CC#N)cc1Cl 575715765 352894259 /nfs/dbraw/zinc/89/42/59/352894259.db2.gz QKFFROGONRSODS-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(N)c(Cl)cc1CC#N 575715713 352894301 /nfs/dbraw/zinc/89/43/01/352894301.db2.gz OIZROEFXEDNQGJ-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(Cl)cc(CC#N)c1N 575715683 352894327 /nfs/dbraw/zinc/89/43/27/352894327.db2.gz MXBFJGVSUPWYES-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1ccc(Cl)c(CC#N)c1N 575715886 352894408 /nfs/dbraw/zinc/89/44/08/352894408.db2.gz XCBRTZCAUXGXFR-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1cc(CC#N)c(Cl)cc1N 575715811 352894413 /nfs/dbraw/zinc/89/44/13/352894413.db2.gz RXVRLYXUSBMJJH-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN CCc1c(N)cc(CC#N)cc1Cl 575715899 352894430 /nfs/dbraw/zinc/89/44/30/352894430.db2.gz XYPIYQWZPDNIFP-UHFFFAOYSA-N 0 0 194.665 2.551 10 30 AFEERN C=C(CCC(C)C)C(=O)OCC 584603181 352906280 /nfs/dbraw/zinc/90/62/80/352906280.db2.gz NPCIDNYGYSVMDR-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C/C=C1\COc2c(C)cccc2C1=O 584609585 352906548 /nfs/dbraw/zinc/90/65/48/352906548.db2.gz JTDDTFYDWCUXLB-YCRREMRBSA-N 0 0 188.226 2.516 10 30 AFEERN C=CC1=CCCC2=CC(=O)C=C[C@@]12C 584622850 352907579 /nfs/dbraw/zinc/90/75/79/352907579.db2.gz VAWZRWJSQKPADS-ZDUSSCGKSA-N 0 0 186.254 2.964 10 30 AFEERN Cc1cccc(C[C@@H](C#N)CC#N)c1 584622868 352907593 /nfs/dbraw/zinc/90/75/93/352907593.db2.gz YKDVFZFFIHIYSH-LBPRGKRZSA-N 0 0 184.242 2.591 10 30 AFEERN C=CC1=CCCC2=CC(=O)C=C[C@]12C 584622849 352907599 /nfs/dbraw/zinc/90/75/99/352907599.db2.gz VAWZRWJSQKPADS-CYBMUJFWSA-N 0 0 186.254 2.964 10 30 AFEERN Cc1cccc(C[C@H](C#N)CC#N)c1 584622867 352907604 /nfs/dbraw/zinc/90/76/04/352907604.db2.gz YKDVFZFFIHIYSH-GFCCVEGCSA-N 0 0 184.242 2.591 10 30 AFEERN C=C(Cc1ccccc1)[C@H]1CCO1 584622791 352907617 /nfs/dbraw/zinc/90/76/17/352907617.db2.gz HSRPZBYQJPEJIE-GFCCVEGCSA-N 0 0 174.243 2.574 10 30 AFEERN C=C(Cc1ccccc1)[C@@H]1CCO1 584622792 352907628 /nfs/dbraw/zinc/90/76/28/352907628.db2.gz HSRPZBYQJPEJIE-LBPRGKRZSA-N 0 0 174.243 2.574 10 30 AFEERN C=CC[C@]1(C)Cc2ccccc2N1 584624005 352907882 /nfs/dbraw/zinc/90/78/82/352907882.db2.gz OOSKRNMVFCKMDU-GFCCVEGCSA-N 0 0 173.259 2.989 10 30 AFEERN C=CCc1cc(OCC)cc(C)c1O 584623982 352907894 /nfs/dbraw/zinc/90/78/94/352907894.db2.gz IYENXSAWCUQZEN-UHFFFAOYSA-N 0 0 192.258 2.828 10 30 AFEERN C=C(C)COC/C=C/c1ccco1 584624015 352907897 /nfs/dbraw/zinc/90/78/97/352907897.db2.gz PZEUZJVRKRHGFR-HWKANZROSA-N 0 0 178.231 2.886 10 30 AFEERN C=CC[C@@]1(C)Cc2ccccc2N1 584624007 352907911 /nfs/dbraw/zinc/90/79/11/352907911.db2.gz OOSKRNMVFCKMDU-LBPRGKRZSA-N 0 0 173.259 2.989 10 30 AFEERN C=CCc1cc(Cl)ccc1NC#N 584646921 352909302 /nfs/dbraw/zinc/90/93/02/352909302.db2.gz YKXCPQTWUACZNV-UHFFFAOYSA-N 0 0 192.649 2.961 10 30 AFEERN C[C@H]1CCC[C@@H]2CCO[C@](C)(C#N)[C@@H]12 584658703 352909740 /nfs/dbraw/zinc/90/97/40/352909740.db2.gz KTWHIGSBQYUPQZ-WHOHXGKFSA-N 0 0 193.290 2.741 10 30 AFEERN C[C@H]1CCC[C@H]2CCO[C@](C)(C#N)[C@@H]12 584658698 352909787 /nfs/dbraw/zinc/90/97/87/352909787.db2.gz KTWHIGSBQYUPQZ-FIQHERPVSA-N 0 0 193.290 2.741 10 30 AFEERN C[C@H]1CCC[C@@H]2CCO[C@](C)(C#N)[C@H]12 584658699 352909796 /nfs/dbraw/zinc/90/97/96/352909796.db2.gz KTWHIGSBQYUPQZ-IRCOFANPSA-N 0 0 193.290 2.741 10 30 AFEERN C[C@H]1CCC[C@H]2CCO[C@](C)(C#N)[C@H]12 584658701 352909816 /nfs/dbraw/zinc/90/98/16/352909816.db2.gz KTWHIGSBQYUPQZ-NNYUYHANSA-N 0 0 193.290 2.741 10 30 AFEERN CCNc1cccc(C(F)F)c1C#N 590570213 352914490 /nfs/dbraw/zinc/91/44/90/352914490.db2.gz ZQIIVXMTSKGDCV-UHFFFAOYSA-N 0 0 196.200 2.928 10 30 AFEERN N#CCN1CCC[C@H]1CC1CCCC1 594054045 352919483 /nfs/dbraw/zinc/91/94/83/352919483.db2.gz TZZXOAGTSGCZKK-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN N#CCN1CCC[C@@H]1CC1CCCC1 594054040 352919464 /nfs/dbraw/zinc/91/94/64/352919464.db2.gz TZZXOAGTSGCZKK-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN CCCCCn1c(C#N)nc(C)c1C 603349675 352925958 /nfs/dbraw/zinc/92/59/58/352925958.db2.gz VYKDAZHJYQTRSZ-UHFFFAOYSA-N 0 0 191.278 2.562 10 30 AFEERN C=C(CC)CNC(=O)[C@H]1CCC1(C)C 616115651 352930787 /nfs/dbraw/zinc/93/07/87/352930787.db2.gz WSIMNSOTFPPNLI-SNVBAGLBSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)CN(C)C(=O)CCCC1CC1 643240435 352940737 /nfs/dbraw/zinc/94/07/37/352940737.db2.gz FYRFCPOGUDWXQW-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN CC(C)=CC[C@H](C=O)C(C)C 5761367 371619583 /nfs/dbraw/zinc/61/95/83/371619583.db2.gz QGWHBDAFRDCSBJ-SNVBAGLBSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)=CC[C@@H](C=O)C(C)C 5761138 371619793 /nfs/dbraw/zinc/61/97/93/371619793.db2.gz QGWHBDAFRDCSBJ-JTQLQIEISA-N 0 0 154.253 2.814 10 30 AFEERN CCCCc1ccc(O)c(C#N)c1 5951820 371620725 /nfs/dbraw/zinc/62/07/25/371620725.db2.gz CYURSYQPPHRSMN-UHFFFAOYSA-N 0 0 175.231 2.606 10 30 AFEERN CC(C)=CCC[C@H](C)C#N 6020485 371621028 /nfs/dbraw/zinc/62/10/28/371621028.db2.gz BMVIJPTWXRECLB-VIFPVBQESA-N 0 0 137.226 2.892 10 30 AFEERN CC#CCNc1cccc(CC)c1 51663029 371635334 /nfs/dbraw/zinc/63/53/34/371635334.db2.gz VMPWFVOOEJBTRU-UHFFFAOYSA-N 0 0 173.259 2.684 10 30 AFEERN CCSc1cc(C)ccc1C#N 51598581 371635367 /nfs/dbraw/zinc/63/53/67/371635367.db2.gz KZVYEDDAWQSVAC-UHFFFAOYSA-N 0 0 177.272 2.979 10 30 AFEERN CC#CCNc1ccc(CC)cc1 51663012 371635735 /nfs/dbraw/zinc/63/57/35/371635735.db2.gz CNKHBLBBPPMVHL-UHFFFAOYSA-N 0 0 173.259 2.684 10 30 AFEERN CC#CCNc1cc(C)cc(C)c1 51663006 371635769 /nfs/dbraw/zinc/63/57/69/371635769.db2.gz DZBVNWGEKJLNKR-UHFFFAOYSA-N 0 0 173.259 2.739 10 30 AFEERN Cc1ccccc1[C@H]1OCC[C@H]1C#N 70672058 371644862 /nfs/dbraw/zinc/64/48/62/371644862.db2.gz LIRSUKLMAQYXSD-JQWIXIFHSA-N 0 0 187.242 2.596 10 30 AFEERN N#C[C@H]1CCCCN1C1CCCCC1 70662715 371642815 /nfs/dbraw/zinc/64/28/15/371642815.db2.gz UUHIVXONTVXECA-GFCCVEGCSA-N 0 0 192.306 2.697 10 30 AFEERN N#C[C@@H]1CCCCN1C1CCCCC1 70662716 371643753 /nfs/dbraw/zinc/64/37/53/371643753.db2.gz UUHIVXONTVXECA-LBPRGKRZSA-N 0 0 192.306 2.697 10 30 AFEERN Cc1ccccc1[C@H]1OCC[C@@H]1C#N 70672061 371644584 /nfs/dbraw/zinc/64/45/84/371644584.db2.gz LIRSUKLMAQYXSD-PWSUYJOCSA-N 0 0 187.242 2.596 10 30 AFEERN Nc1cccc(C(=O)C2=CCCC2)c1 70671426 371644609 /nfs/dbraw/zinc/64/46/09/371644609.db2.gz WZHTTYUTYRSALO-UHFFFAOYSA-N 0 0 187.242 2.562 10 30 AFEERN Nc1ccccc1C(=O)C1=CCCC1 70671419 371645048 /nfs/dbraw/zinc/64/50/48/371645048.db2.gz IMRQSPPBSNAKNG-UHFFFAOYSA-N 0 0 187.242 2.562 10 30 AFEERN Cc1ccccc1[C@@H]1OCC[C@H]1C#N 70672059 371645057 /nfs/dbraw/zinc/64/50/57/371645057.db2.gz LIRSUKLMAQYXSD-CMPLNLGQSA-N 0 0 187.242 2.596 10 30 AFEERN C=CCn1ccc2c(C=O)cccc21 70735331 371645532 /nfs/dbraw/zinc/64/55/32/371645532.db2.gz DCEFPRSWCNFSFT-UHFFFAOYSA-N 0 0 185.226 2.640 10 30 AFEERN C[C@@H]1c2ccccc2CC[C@@H]1C#N 75561376 371648260 /nfs/dbraw/zinc/64/82/60/371648260.db2.gz XLZXMUYALHKPDG-GXSJLCMTSA-N 0 0 171.243 2.876 10 30 AFEERN C[C@@H]1c2ccccc2CC[C@H]1C#N 75561381 371648566 /nfs/dbraw/zinc/64/85/66/371648566.db2.gz XLZXMUYALHKPDG-ONGXEEELSA-N 0 0 171.243 2.876 10 30 AFEERN C=CCCc1csc(C)n1 148277731 371665643 /nfs/dbraw/zinc/66/56/43/371665643.db2.gz HPFQTYXOFXAGMH-UHFFFAOYSA-N 0 0 153.250 2.570 10 30 AFEERN CC#CCC[C@@]1(O)CCCC[C@@H]1C 161462862 371672008 /nfs/dbraw/zinc/67/20/08/371672008.db2.gz FRXYIBQJWRZSAV-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN C1CCC2(C1)CCC1(CC2)CO1 161463328 371672019 /nfs/dbraw/zinc/67/20/19/371672019.db2.gz CABYJWDGUCMMGD-UHFFFAOYSA-N 0 0 166.264 2.890 10 30 AFEERN CC#CCCC1(O)CCC(C)CC1 161461785 371672046 /nfs/dbraw/zinc/67/20/46/371672046.db2.gz OZSZUEZBPMRWMH-UHFFFAOYSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@]1(O)CCCC[C@@H]1C 161462738 371672102 /nfs/dbraw/zinc/67/21/02/371672102.db2.gz FRXYIBQJWRZSAV-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@]1(O)CCCC[C@H]1C 161462969 371672139 /nfs/dbraw/zinc/67/21/39/371672139.db2.gz FRXYIBQJWRZSAV-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCC[C@@]1(O)CCCC[C@H]1C 161463074 371672183 /nfs/dbraw/zinc/67/21/83/371672183.db2.gz FRXYIBQJWRZSAV-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN CC#CCCC1(O)CCCCCC1 161464361 371672188 /nfs/dbraw/zinc/67/21/88/371672188.db2.gz ZMOXLMVIXQYOTQ-UHFFFAOYSA-N 0 0 180.291 2.875 10 30 AFEERN C[Si](C)(C)C#C[C@]12CCCC[C@H]1O2 195895226 371691463 /nfs/dbraw/zinc/69/14/63/371691463.db2.gz LUJUZCVUIBTHGH-GHMZBOCLSA-N 0 0 194.350 2.579 10 30 AFEERN C[Si](C)(C)C#C[C@@]12CCCC[C@@H]1O2 195895212 371691488 /nfs/dbraw/zinc/69/14/88/371691488.db2.gz LUJUZCVUIBTHGH-QWRGUYRKSA-N 0 0 194.350 2.579 10 30 AFEERN CC(C)O/C=C1\CCCCCC1=O 196218550 371693370 /nfs/dbraw/zinc/69/33/70/371693370.db2.gz SDBKFTYDTUCFOJ-CSKARUKUSA-N 0 0 182.263 2.829 10 30 AFEERN C[Si](C)(C)Cc1ccc(C#N)cc1 196372500 371694657 /nfs/dbraw/zinc/69/46/57/371694657.db2.gz DNCQCJWNMMVLLN-UHFFFAOYSA-N 0 0 189.334 2.978 10 30 AFEERN CC(C)=CCC[C@H](C)[C@@H]1CO1 199389511 371699201 /nfs/dbraw/zinc/69/92/01/371699201.db2.gz GLYYRWADVSGYMW-UWVGGRQHSA-N 0 0 154.253 2.768 10 30 AFEERN CC(C)[C@H](C)C1=CC(=O)CC1 238216241 371725796 /nfs/dbraw/zinc/72/57/96/371725796.db2.gz MWUWCXASUBSTGT-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CCCC(=O)c1ccccc1C#N 238246631 371727157 /nfs/dbraw/zinc/72/71/57/371727157.db2.gz PEGFQDDZPNOAJT-UHFFFAOYSA-N 0 0 173.215 2.541 10 30 AFEERN CC1=N[C@](C)([C@H](C)S)S[C@@H]1C 238470906 371729238 /nfs/dbraw/zinc/72/92/38/371729238.db2.gz JONCGZCLRCTNMQ-CSMHCCOUSA-N 0 0 189.349 2.617 10 30 AFEERN C=C[C@@H](O)CC=C1CCCCC1 238660946 371730803 /nfs/dbraw/zinc/73/08/03/371730803.db2.gz QVGCMZOEVIXEBJ-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN C(=Nc1ccccn1)c1cccs1 256001026 371738868 /nfs/dbraw/zinc/73/88/68/371738868.db2.gz SDWIEQMUJIZZSY-UHFFFAOYSA-N 0 0 188.255 2.894 10 30 AFEERN C[C@]1(O)CCC[C@]1(C)C1(C#N)CCC1 306239816 371746764 /nfs/dbraw/zinc/74/67/64/371746764.db2.gz QIATVGGZQGJNCF-QWRGUYRKSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@]1(C2(C#N)CCC2)CCC[C@@]1(C)O 306239814 371746832 /nfs/dbraw/zinc/74/68/32/371746832.db2.gz QIATVGGZQGJNCF-GHMZBOCLSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@]1(O)CCC[C@]1(C)C1(C#N)CCC1 306239817 371746931 /nfs/dbraw/zinc/74/69/31/371746931.db2.gz QIATVGGZQGJNCF-WDEREUQCSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@]1(O)CCC[C@@]1(C)C1(C#N)CCC1 306239815 371746986 /nfs/dbraw/zinc/74/69/86/371746986.db2.gz QIATVGGZQGJNCF-MNOVXSKESA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H]1C[C@H](N[C@H](C)C#N)CC(C)(C)C1 306316382 371750990 /nfs/dbraw/zinc/75/09/90/371750990.db2.gz RGRXDBHWJNFMAD-MXWKQRLJSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H]1C[C@@H](N[C@H](C)C#N)CC(C)(C)C1 306316373 371750980 /nfs/dbraw/zinc/75/09/80/371750980.db2.gz RGRXDBHWJNFMAD-GMTAPVOTSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H]1C[C@H](N[C@@H](C)C#N)CC(C)(C)C1 306316401 371751080 /nfs/dbraw/zinc/75/10/80/371751080.db2.gz RGRXDBHWJNFMAD-VWYCJHECSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H]1C[C@@H](N[C@@H](C)C#N)CC(C)(C)C1 306316390 371751111 /nfs/dbraw/zinc/75/11/11/371751111.db2.gz RGRXDBHWJNFMAD-OUAUKWLOSA-N 0 0 194.322 2.703 10 30 AFEERN CC[C@](C)(C=O)[C@@]1(C)CCC[C@]1(C)O 306449264 371754160 /nfs/dbraw/zinc/75/41/60/371754160.db2.gz AHVXPJBGCOYWQF-UTUOFQBUSA-N 0 0 198.306 2.543 10 30 AFEERN CC[C@](C)(C=O)[C@@]1(C)CCC[C@@]1(C)O 306449263 371754212 /nfs/dbraw/zinc/75/42/12/371754212.db2.gz AHVXPJBGCOYWQF-IJLUTSLNSA-N 0 0 198.306 2.543 10 30 AFEERN CC[C@](C)(C=O)[C@]1(C)CCC[C@]1(C)O 306449265 371754242 /nfs/dbraw/zinc/75/42/42/371754242.db2.gz AHVXPJBGCOYWQF-WOPDTQHZSA-N 0 0 198.306 2.543 10 30 AFEERN CC#CCCNc1cscc1C 307103759 371772250 /nfs/dbraw/zinc/77/22/50/371772250.db2.gz BUGXNDYWMIOSOP-UHFFFAOYSA-N 0 0 179.288 2.882 10 30 AFEERN C=C(c1cccc(O)c1)C(F)(F)F 307189844 371775448 /nfs/dbraw/zinc/77/54/48/371775448.db2.gz VIPHOJRQTZFOBP-UHFFFAOYSA-N 0 0 188.148 2.968 10 30 AFEERN Cc1cscc1NCC1(C#N)CC1 575496866 371826265 /nfs/dbraw/zinc/82/62/65/371826265.db2.gz SZYNHQALXXHPRA-UHFFFAOYSA-N 0 0 192.287 2.772 10 30 AFEERN C[C@]1(CC2CCCCC2)O[C@H]1C#N 575463848 371821464 /nfs/dbraw/zinc/82/14/64/371821464.db2.gz BZGSPTJVUYLHHA-WDEREUQCSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@]1(CC2CCCCC2)O[C@H]1C#N 575463847 371821530 /nfs/dbraw/zinc/82/15/30/371821530.db2.gz BZGSPTJVUYLHHA-QWRGUYRKSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@]1(CC2CCCCC2)O[C@@H]1C#N 575463844 371821584 /nfs/dbraw/zinc/82/15/84/371821584.db2.gz BZGSPTJVUYLHHA-GHMZBOCLSA-N 0 0 179.263 2.638 10 30 AFEERN C[C@@]1(CC2CCCCC2)O[C@@H]1C#N 575463846 371821671 /nfs/dbraw/zinc/82/16/71/371821671.db2.gz BZGSPTJVUYLHHA-MNOVXSKESA-N 0 0 179.263 2.638 10 30 AFEERN C=C(Cl)Cc1cccc(F)c1O 575564740 371829772 /nfs/dbraw/zinc/82/97/72/371829772.db2.gz ZSGRUUDYCWCUFW-UHFFFAOYSA-N 0 0 186.613 2.826 10 30 AFEERN C=C(C)Cc1cc(F)cc(C)c1O 575566705 371830914 /nfs/dbraw/zinc/83/09/14/371830914.db2.gz KIQQRAABBRKOLX-UHFFFAOYSA-N 0 0 180.222 2.958 10 30 AFEERN C=C(C)Cc1ccc(F)c(F)c1O 575566690 371831065 /nfs/dbraw/zinc/83/10/65/371831065.db2.gz KEDYCVIMWAOEBB-UHFFFAOYSA-N 0 0 184.185 2.789 10 30 AFEERN CCc1cc(C)cc(OC)c1CC#N 575703456 371834604 /nfs/dbraw/zinc/83/46/04/371834604.db2.gz NRPQXRGPWKYCSG-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1c(C)ccc(OC)c1CC#N 575703523 371834882 /nfs/dbraw/zinc/83/48/82/371834882.db2.gz OCUMALATCGPRCX-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1cc(CC#N)c(C)c(OC)c1 575703486 371834938 /nfs/dbraw/zinc/83/49/38/371834938.db2.gz NYGFYONQDWXROB-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1c(CC#N)cc(C)cc1OC 575703411 371834944 /nfs/dbraw/zinc/83/49/44/371834944.db2.gz NCIUKGZTTBKHLK-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1cc(C)cc(CC#N)c1OC 575703331 371834951 /nfs/dbraw/zinc/83/49/51/371834951.db2.gz MWTCRAHOFGEMOX-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN C[Si](C)(C)C#C/C=C\C1CC1 584602948 371835521 /nfs/dbraw/zinc/83/55/21/371835521.db2.gz IOWGIQKVUNGHLQ-XQRVVYSFSA-N 0 0 164.324 2.833 10 30 AFEERN C[Si](C)(C)C#C/C=C/C1CC1 584602942 371835568 /nfs/dbraw/zinc/83/55/68/371835568.db2.gz IOWGIQKVUNGHLQ-GQCTYLIASA-N 0 0 164.324 2.833 10 30 AFEERN C=C(CCCC)COC(=O)OCC 584603043 371835588 /nfs/dbraw/zinc/83/55/88/371835588.db2.gz IANVWRXZKSXSCV-UHFFFAOYSA-N 0 0 186.251 2.906 10 30 AFEERN CC(F)=CC(=O)c1ccc(F)cc1 584609532 371836398 /nfs/dbraw/zinc/83/63/98/371836398.db2.gz DSEDWDZMFMJJGF-VOTSOKGWSA-N 0 0 182.169 2.882 10 30 AFEERN N#C[C@@H](c1ccc[nH]1)c1cccs1 584621468 371837804 /nfs/dbraw/zinc/83/78/04/371837804.db2.gz QTHTXFTZIUDGKQ-QMMMGPOBSA-N 0 0 188.255 2.732 10 30 AFEERN N#C[C@H](c1ccc[nH]1)c1cccs1 584621467 371837828 /nfs/dbraw/zinc/83/78/28/371837828.db2.gz QTHTXFTZIUDGKQ-MRVPVSSYSA-N 0 0 188.255 2.732 10 30 AFEERN CC[C@](C)(C#N)Sc1ccccn1 584626491 371839445 /nfs/dbraw/zinc/83/94/45/371839445.db2.gz FGNPXFCVGDWFKU-SNVBAGLBSA-N 0 0 192.287 2.866 10 30 AFEERN C=C(C)c1ccc(C)c(OC)c1C=O 584626470 371839532 /nfs/dbraw/zinc/83/95/32/371839532.db2.gz DETGRSJNPPSXPA-UHFFFAOYSA-N 0 0 190.242 2.849 10 30 AFEERN CSC1=C(C)C(=O)c2ccccc21 584625945 371839563 /nfs/dbraw/zinc/83/95/63/371839563.db2.gz NYLJQLWYFNJBDG-UHFFFAOYSA-N 0 0 190.267 2.977 10 30 AFEERN CC[C@@](C)(C#N)Sc1ccccn1 584626482 371839594 /nfs/dbraw/zinc/83/95/94/371839594.db2.gz FGNPXFCVGDWFKU-JTQLQIEISA-N 0 0 192.287 2.866 10 30 AFEERN N#Cc1cc2cccc(O)c2cc1F 584626074 371839606 /nfs/dbraw/zinc/83/96/06/371839606.db2.gz JZAJXMYRMWGWFW-UHFFFAOYSA-N 0 0 187.173 2.556 10 30 AFEERN C=C(C)[C@@H]1CC(C)(C)CCC1=O 584634695 371841095 /nfs/dbraw/zinc/84/10/95/371841095.db2.gz SVZRTBOGTUZWDK-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@H]1CC(C)(C)CCC1=O 584634694 371841279 /nfs/dbraw/zinc/84/12/79/371841279.db2.gz SVZRTBOGTUZWDK-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(F)(F)c1ccc(C=O)cc1 584635043 371841286 /nfs/dbraw/zinc/84/12/86/371841286.db2.gz JBHFWUGUDJGOPF-UHFFFAOYSA-N 0 0 182.169 2.777 10 30 AFEERN C=C(C)Cc1ccccc1NC#N 584646856 371842889 /nfs/dbraw/zinc/84/28/89/371842889.db2.gz RHLSGPQUAHHGSL-UHFFFAOYSA-N 0 0 172.231 2.698 10 30 AFEERN C=CCc1cccc(C)c1NC#N 584646855 371842923 /nfs/dbraw/zinc/84/29/23/371842923.db2.gz QVIHTRQUGCWUHD-UHFFFAOYSA-N 0 0 172.231 2.617 10 30 AFEERN CC1(C)CCN(CC#N)CC(C)(C)C1 595748299 371857791 /nfs/dbraw/zinc/85/77/91/371857791.db2.gz FJCTZTOCLHDYEF-UHFFFAOYSA-N 0 0 194.322 2.658 10 30 AFEERN CCN(C[C@H](C)CC(C)C)[C@H](C)C#N 595819530 371858734 /nfs/dbraw/zinc/85/87/34/371858734.db2.gz CJEQGONRBNUXQM-VXGBXAGGSA-N 0 0 196.338 2.903 10 30 AFEERN CCN(C[C@@H](C)CC(C)C)[C@@H](C)C#N 595819529 371858819 /nfs/dbraw/zinc/85/88/19/371858819.db2.gz CJEQGONRBNUXQM-RYUDHWBXSA-N 0 0 196.338 2.903 10 30 AFEERN CCN(C[C@@H](C)CC(C)C)[C@H](C)C#N 595819528 371858985 /nfs/dbraw/zinc/85/89/85/371858985.db2.gz CJEQGONRBNUXQM-NWDGAFQWSA-N 0 0 196.338 2.903 10 30 AFEERN CCN(C[C@H](C)CC(C)C)[C@@H](C)C#N 595819527 371859120 /nfs/dbraw/zinc/85/91/20/371859120.db2.gz CJEQGONRBNUXQM-NEPJUHHUSA-N 0 0 196.338 2.903 10 30 AFEERN CC(C)=CCN(C[C@H](C)C#N)C1CC1 611091539 371864163 /nfs/dbraw/zinc/86/41/63/371864163.db2.gz SSWXYNYGUFTTGI-LLVKDONJSA-N 0 0 192.306 2.577 10 30 AFEERN C=C(C)C(C)(C)C(=O)N(CC)CCC 644570962 371885434 /nfs/dbraw/zinc/88/54/34/371885434.db2.gz AEZXJJZRWOOKQF-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)C(C)(C)C(=O)N(C)CCCC 644563348 371885901 /nfs/dbraw/zinc/88/59/01/371885901.db2.gz HHKZDGXOHOQDPL-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=C[C@H](C)NC(=O)CC1CC(C)(C)C1 644669663 371897610 /nfs/dbraw/zinc/89/76/10/371897610.db2.gz AIUMTTLSAGUOPU-VIFPVBQESA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@@H](C)NC(=O)CC1CC(C)(C)C1 644669662 371897649 /nfs/dbraw/zinc/89/76/49/371897649.db2.gz AIUMTTLSAGUOPU-SECBINFHSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)CNC(=O)CC1CC(C)(C)C1 644678293 371899277 /nfs/dbraw/zinc/89/92/77/371899277.db2.gz KBETYUMGQBGEHG-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCN(C)C(=O)C(C)(C)C(=C)C 644707227 371901184 /nfs/dbraw/zinc/90/11/84/371901184.db2.gz CAJXNBAFNZAITE-UHFFFAOYSA-N 0 0 195.306 2.623 10 30 AFEERN C=CCC(C)(C)C(=O)N(C)CCCC 644788048 371911787 /nfs/dbraw/zinc/91/17/87/371911787.db2.gz HXCJXNSTZSEOSM-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCC(C)(C)C(=O)N(C)CC(C)C 644790988 371912022 /nfs/dbraw/zinc/91/20/22/371912022.db2.gz FTWDUHKCEZVXOA-UHFFFAOYSA-N 0 0 197.322 2.703 10 30 AFEERN C=CCC(C)(C)C(=O)N[C@@H](C)C1CC1 644790568 371912292 /nfs/dbraw/zinc/91/22/92/371912292.db2.gz FINKYDIKLQJCBR-VIFPVBQESA-N 0 0 195.306 2.503 10 30 AFEERN C=CCN1CCc2c(F)ccc(F)c21 645161706 371950457 /nfs/dbraw/zinc/95/04/57/371950457.db2.gz PVUBSMMGFOTDBV-UHFFFAOYSA-N 0 0 195.212 2.513 10 30 AFEERN C=CCC(C)(C)c1noc(C2CC2)n1 645628952 371963147 /nfs/dbraw/zinc/96/31/47/371963147.db2.gz CSEFMHGESKTELE-UHFFFAOYSA-N 0 0 192.262 2.801 10 30 AFEERN C=CCC(C)(C)C(=O)N(C)C1CCC1 645620462 371963437 /nfs/dbraw/zinc/96/34/37/371963437.db2.gz HJIUIPXYMVNGAI-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C=C[C@@H](C)NC(=O)C(C)(C)C(C)(C)C 645765108 371963828 /nfs/dbraw/zinc/96/38/28/371963828.db2.gz ZZKZWJGVUNLUFB-SECBINFHSA-N 0 0 197.322 2.749 10 30 AFEERN C=C[C@H](C)NC(=O)C(C)(C)C(C)(C)C 645765126 371964017 /nfs/dbraw/zinc/96/40/17/371964017.db2.gz ZZKZWJGVUNLUFB-VIFPVBQESA-N 0 0 197.322 2.749 10 30 AFEERN C=CCN(C)C(=O)C(C)(C)C(C)(C)C 645992268 371973691 /nfs/dbraw/zinc/97/36/91/371973691.db2.gz PPUALWKYQMALAO-UHFFFAOYSA-N 0 0 197.322 2.703 10 30 AFEERN CC(C)C/C=N/[S@@](=O)C(C)(C)C 35874454 375295806 /nfs/dbraw/zinc/29/58/06/375295806.db2.gz SURNLDMUXHLWDG-OFFHKIPUSA-N 0 0 189.324 2.566 10 30 AFEERN O=CC[C@@]12CCc3ccccc3[C@@H]1C2 39074810 375297573 /nfs/dbraw/zinc/29/75/73/375297573.db2.gz YUBOAKLYTQKTHW-QWHCGFSZSA-N 0 0 186.254 2.696 10 30 AFEERN O=CC[C@]12CCc3ccccc3[C@H]1C2 39074809 375297654 /nfs/dbraw/zinc/29/76/54/375297654.db2.gz YUBOAKLYTQKTHW-OLZOCXBDSA-N 0 0 186.254 2.696 10 30 AFEERN Cc1cc(C)c2c(CC#N)c[nH]c2c1 82588075 375366683 /nfs/dbraw/zinc/36/66/83/375366683.db2.gz FYDQGIIRHVCOPZ-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN CCNc1cc(C#N)c2ccccc2n1 82668883 375367554 /nfs/dbraw/zinc/36/75/54/375367554.db2.gz IVUVVLXHSHLXAP-UHFFFAOYSA-N 0 0 197.241 2.538 10 30 AFEERN C=CC[Si](C)(C)C=C 195758342 375401575 /nfs/dbraw/zinc/40/15/75/375401575.db2.gz XYYDRQRUUNENNH-UHFFFAOYSA-N 0 0 126.275 2.606 10 30 AFEERN CC#Cc1ccccc1SC 196118587 375402693 /nfs/dbraw/zinc/40/26/93/375402693.db2.gz GVXHTANBQWRHOA-UHFFFAOYSA-N 0 0 162.257 2.780 10 30 AFEERN C=C[C@@H](C)Nc1ccc(OC)cc1 196287511 375403335 /nfs/dbraw/zinc/40/33/35/375403335.db2.gz YOJHGYKKXPRDBP-SECBINFHSA-N 0 0 177.247 2.682 10 30 AFEERN C=CCC(=O)OCc1ccc(C)cc1 201753511 375408922 /nfs/dbraw/zinc/40/89/22/375408922.db2.gz VKPOHIZKGHNUEG-UHFFFAOYSA-N 0 0 190.242 2.614 10 30 AFEERN C=C(C)CC(=O)Nc1ccccc1 201759084 375409283 /nfs/dbraw/zinc/40/92/83/375409283.db2.gz ZRUAHVMLSJBVTD-UHFFFAOYSA-N 0 0 175.231 2.591 10 30 AFEERN C/C=C/CNc1cccc(C#N)c1 220140847 375421162 /nfs/dbraw/zinc/42/11/62/375421162.db2.gz LAZNCSKDALXAAV-NSCUHMNNSA-N 0 0 172.231 2.546 10 30 AFEERN C/C=C/CNc1ccccc1C#N 220140537 375421195 /nfs/dbraw/zinc/42/11/95/375421195.db2.gz DOKQPCWKSWBKSL-NSCUHMNNSA-N 0 0 172.231 2.546 10 30 AFEERN Cc1cc(C#N)ccc1C(F)F 238481836 375428900 /nfs/dbraw/zinc/42/89/00/375428900.db2.gz GXRKEWLCFFJJKH-UHFFFAOYSA-N 0 0 167.158 2.804 10 30 AFEERN C/C(=C/Cl)CC1(C=O)CCC1 316981819 375476835 /nfs/dbraw/zinc/47/68/35/375476835.db2.gz KUVILCXTIWHHDA-VURMDHGXSA-N 0 0 172.655 2.888 10 30 AFEERN C/C(=C/Cl)CC(C)(C)C=O 317584200 375476952 /nfs/dbraw/zinc/47/69/52/375476952.db2.gz PZYPIYNEZLLZIN-ALCCZGGFSA-N 0 0 160.644 2.744 10 30 AFEERN O=CC1(C/C=C\Cl)CCCC1 316713450 375477766 /nfs/dbraw/zinc/47/77/66/375477766.db2.gz ISLBZMJLUZDDRD-CLTKARDFSA-N 0 0 172.655 2.888 10 30 AFEERN C=C(C)CCc1noc(C2(F)CC2)n1 351434016 375497361 /nfs/dbraw/zinc/49/73/61/375497361.db2.gz ZMFGRCQIDOPGIP-UHFFFAOYSA-N 0 0 196.225 2.537 10 30 AFEERN CCc1cc(C)c(CC#N)cc1OC 575703198 375552018 /nfs/dbraw/zinc/55/20/18/375552018.db2.gz LSVOZZUQFQPLJQ-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1cc(C)c(OC)c(CC#N)c1 575703289 375552241 /nfs/dbraw/zinc/55/22/41/375552241.db2.gz MOEXJTLEZMWYTJ-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN CCc1cc(CC#N)cc(OC)c1C 575703206 375552308 /nfs/dbraw/zinc/55/23/08/375552308.db2.gz LTQWVNHFZNLCOD-UHFFFAOYSA-N 0 0 189.258 2.632 10 30 AFEERN C=CCCC=C=CC(=O)[Si](C)(C)C 584614087 375553190 /nfs/dbraw/zinc/55/31/90/375553190.db2.gz YGNNXEIFPVZSBP-UHFFFAOYSA-N 0 0 194.350 2.793 10 30 AFEERN C#Cc1cc(F)ccc1C=C1CC1 584614006 375553210 /nfs/dbraw/zinc/55/32/10/375553210.db2.gz VPOGOALLBLXYFS-UHFFFAOYSA-N 0 0 172.202 2.984 10 30 AFEERN C#Cc1ccccc1C=C1CC1 584613879 375553329 /nfs/dbraw/zinc/55/33/29/375553329.db2.gz OLLXGOCKYFAMDQ-UHFFFAOYSA-N 0 0 154.212 2.845 10 30 AFEERN C=CC(C)(C)c1ccccc1OC=O 584621271 375554129 /nfs/dbraw/zinc/55/41/29/375554129.db2.gz DLUUSOADNRPLEM-UHFFFAOYSA-N 0 0 190.242 2.685 10 30 AFEERN Cc1ccccc1C[C@@H](C#N)CC#N 584621265 375554151 /nfs/dbraw/zinc/55/41/51/375554151.db2.gz BGJDRIHCSGIBOH-NSHDSACASA-N 0 0 184.242 2.591 10 30 AFEERN Cc1ccccc1C[C@H](C#N)CC#N 584621264 375554201 /nfs/dbraw/zinc/55/42/01/375554201.db2.gz BGJDRIHCSGIBOH-LLVKDONJSA-N 0 0 184.242 2.591 10 30 AFEERN Cc1c[nH]c(-c2ccc(C#N)cc2)c1 584634536 375554570 /nfs/dbraw/zinc/55/45/70/375554570.db2.gz KRYATTGSXQPVGY-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN C=CO[C@H](C#CC)CCCC 584634528 375554667 /nfs/dbraw/zinc/55/46/67/375554667.db2.gz JHOOGGZEPGTWPH-SNVBAGLBSA-N 0 0 152.237 2.729 10 30 AFEERN C=CO[C@@H](C#CC)CCCC 584634527 375554746 /nfs/dbraw/zinc/55/47/46/375554746.db2.gz JHOOGGZEPGTWPH-JTQLQIEISA-N 0 0 152.237 2.729 10 30 AFEERN CC(C)(C#N)C#Cc1ccc(F)cc1 584634503 375554762 /nfs/dbraw/zinc/55/47/62/375554762.db2.gz IIAFNKNVFYNBDH-UHFFFAOYSA-N 0 0 187.217 2.727 10 30 AFEERN C=CCc1cc2ncccc2cc1OC 584651585 375555284 /nfs/dbraw/zinc/55/52/84/375555284.db2.gz KOGQLVHTICSWGR-UHFFFAOYSA-N 0 0 199.253 2.972 10 30 AFEERN N#Cc1ccc(C2=CCCCC2=O)cc1 584651691 375555353 /nfs/dbraw/zinc/55/53/53/375555353.db2.gz CQEPWZOVYLJSTM-UHFFFAOYSA-N 0 0 197.237 2.695 10 30 AFEERN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H]1C 646271009 375588771 /nfs/dbraw/zinc/58/87/71/375588771.db2.gz NRDXFFXYQQXTIB-NXEZZACHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H]1C 646271010 375588875 /nfs/dbraw/zinc/58/88/75/375588875.db2.gz NRDXFFXYQQXTIB-UWVGGRQHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H]1C 646271012 375588958 /nfs/dbraw/zinc/58/89/58/375588958.db2.gz NRDXFFXYQQXTIB-ZJUUUORDSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]1C 646271011 375589092 /nfs/dbraw/zinc/58/90/92/375589092.db2.gz NRDXFFXYQQXTIB-VHSXEESVSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCCC(=O)NC(C)(C)C(C)(C)C 646467360 375592440 /nfs/dbraw/zinc/59/24/40/375592440.db2.gz UYVMSCVHDGHZBK-UHFFFAOYSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H]1CC 647054825 375610133 /nfs/dbraw/zinc/61/01/33/375610133.db2.gz VRWWOZRAQQVKLC-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N1CC[C@H]1CC 647054828 375610154 /nfs/dbraw/zinc/61/01/54/375610154.db2.gz VRWWOZRAQQVKLC-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]1CC 647054826 375610506 /nfs/dbraw/zinc/61/05/06/375610506.db2.gz VRWWOZRAQQVKLC-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@H]1CC 647054827 375610661 /nfs/dbraw/zinc/61/06/61/375610661.db2.gz VRWWOZRAQQVKLC-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)CCn1cc(C(C)C)cn1 647163087 375627899 /nfs/dbraw/zinc/62/78/99/375627899.db2.gz ALNWBJSAWUOHRW-UHFFFAOYSA-N 0 0 178.279 2.973 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N(C)C(C)(C)C 648593497 375720236 /nfs/dbraw/zinc/72/02/36/375720236.db2.gz UCRWYRQNHUTEKH-JTQLQIEISA-N 0 0 197.322 2.846 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N(C)C(C)(C)C 648593498 375720616 /nfs/dbraw/zinc/72/06/16/375720616.db2.gz UCRWYRQNHUTEKH-SNVBAGLBSA-N 0 0 197.322 2.846 10 30 AFEERN CCCCC1CCC(/C(N)=N/O)CC1 16034612 409314357 /nfs/dbraw/zinc/31/43/57/409314357.db2.gz OEODZEACJFIHFT-UHFFFAOYSA-N 0 0 198.310 2.729 10 30 AFEERN C=CCCc1noc(CCCCC)n1 651355600 409326222 /nfs/dbraw/zinc/32/62/22/409326222.db2.gz GHLITKOYNVCODA-UHFFFAOYSA-N 0 0 194.278 2.921 10 30 AFEERN C=CCCc1noc(C[C@H](C)CC)n1 651358888 409326974 /nfs/dbraw/zinc/32/69/74/409326974.db2.gz FVZVNJRZBXGCSI-SECBINFHSA-N 0 0 194.278 2.777 10 30 AFEERN C=CCCc1noc(/C(C)=C/C)n1 651358892 409327159 /nfs/dbraw/zinc/32/71/59/409327159.db2.gz HSVRFUFQHKIHCE-VMPITWQZSA-N 0 0 178.235 2.611 10 30 AFEERN C=CCCc1noc(C[C@@H](C)CC)n1 651358889 409327453 /nfs/dbraw/zinc/32/74/53/409327453.db2.gz FVZVNJRZBXGCSI-VIFPVBQESA-N 0 0 194.278 2.777 10 30 AFEERN C=CCCC(=O)NC(C)(C)C1CCC1 653830152 409379280 /nfs/dbraw/zinc/37/92/80/409379280.db2.gz VKFZIBCBHYBDGF-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=C/C(C)=C/CC(=O)NCCC(=C)C 653807711 409379549 /nfs/dbraw/zinc/37/95/49/409379549.db2.gz ZHGCMVMVGBGPRF-IZZDOVSWSA-N 0 0 193.290 2.591 10 30 AFEERN C=C/C(C)=C\CC(=O)NCCC(=C)C 653807713 409381068 /nfs/dbraw/zinc/38/10/68/409381068.db2.gz ZHGCMVMVGBGPRF-WDZFZDKYSA-N 0 0 193.290 2.591 10 30 AFEERN C=CCCCCCNC(=O)C1CCC1 654069729 409384803 /nfs/dbraw/zinc/38/48/03/409384803.db2.gz HGGCXUOXHYSVTE-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCCCNC(=O)C(C)(C)C 654069780 409384811 /nfs/dbraw/zinc/38/48/11/409384811.db2.gz MDTNYRBWDAYMCP-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCCCNC(=O)CC1CC1 654070088 409384837 /nfs/dbraw/zinc/38/48/37/409384837.db2.gz NDZCXHNDFGGKID-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCCCNC(=O)[C@H]1C[C@H]1C 654069820 409384905 /nfs/dbraw/zinc/38/49/05/409384905.db2.gz RFZFFMOXOYXQRC-MNOVXSKESA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCCCNC(=O)CCC 654069823 409385157 /nfs/dbraw/zinc/38/51/57/409385157.db2.gz RMCNTEIYJZJAKO-UHFFFAOYSA-N 0 0 183.295 2.649 10 30 AFEERN C=CCCCCCNC(=O)[C@H]1C[C@@H]1C 654069821 409385211 /nfs/dbraw/zinc/38/52/11/409385211.db2.gz RFZFFMOXOYXQRC-QWRGUYRKSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCCCNC(=O)[C@@H](C)CC 654070125 409385271 /nfs/dbraw/zinc/38/52/71/409385271.db2.gz QTOOVOPVENLSHO-NSHDSACASA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCCCNC(=O)C1=CCC1 654071724 409385280 /nfs/dbraw/zinc/38/52/80/409385280.db2.gz USOWLQZBKOKKOH-UHFFFAOYSA-N 0 0 193.290 2.569 10 30 AFEERN C=CCCCCCNC(=O)[C@@H]1C[C@@H]1C 654069822 409385286 /nfs/dbraw/zinc/38/52/86/409385286.db2.gz RFZFFMOXOYXQRC-WDEREUQCSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCCCNC(=O)C1(C)CC1 654071623 409385306 /nfs/dbraw/zinc/38/53/06/409385306.db2.gz OYKSCRILIONIRV-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCCCNC(=O)[C@H](C)CC 654070124 409385453 /nfs/dbraw/zinc/38/54/53/409385453.db2.gz QTOOVOPVENLSHO-LLVKDONJSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCCCNC(=O)CCC=C 654070801 409385465 /nfs/dbraw/zinc/38/54/65/409385465.db2.gz DPKGWLIYWSSWER-UHFFFAOYSA-N 0 0 195.306 2.815 10 30 AFEERN C=CCCCCCNC(=O)[C@@H]1C[C@H]1C 654069819 409385640 /nfs/dbraw/zinc/38/56/40/409385640.db2.gz RFZFFMOXOYXQRC-GHMZBOCLSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCCCNC(=O)CC(C)C 654069744 409385897 /nfs/dbraw/zinc/38/58/97/409385897.db2.gz IUESMSIAIZWQIX-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCCCNC(=O)C(C)C 654069808 409385923 /nfs/dbraw/zinc/38/59/23/409385923.db2.gz PWFSELQUWQFTII-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=C/C(C)=C\CC(=O)NCC(=C)CC 654373136 409388175 /nfs/dbraw/zinc/38/81/75/409388175.db2.gz JWVCVXQNTWSXGX-YFHOEESVSA-N 0 0 193.290 2.591 10 30 AFEERN C=C/C(C)=C/CC(=O)NCC(=C)CC 654373135 409388265 /nfs/dbraw/zinc/38/82/65/409388265.db2.gz JWVCVXQNTWSXGX-JXMROGBWSA-N 0 0 193.290 2.591 10 30 AFEERN C=C(CC)CNC(=O)CCCC(C)C 654373070 409388490 /nfs/dbraw/zinc/38/84/90/409388490.db2.gz ROWXRJCUYWHJGB-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=C(CC)CNC(=O)[C@H](C)CC(C)C 654373198 409389552 /nfs/dbraw/zinc/38/95/52/409389552.db2.gz WCBOJZBGCQVHSU-LLVKDONJSA-N 0 0 197.322 2.751 10 30 AFEERN C=C(CC)CNC(=O)[C@@H]1CCC[C@@H]1C 654375361 409389327 /nfs/dbraw/zinc/38/93/27/409389327.db2.gz SISNRQYHBHPRKO-WDEREUQCSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(CC)CNC(=O)[C@@H](C)CC(C)C 654373200 409389490 /nfs/dbraw/zinc/38/94/90/409389490.db2.gz WCBOJZBGCQVHSU-NSHDSACASA-N 0 0 197.322 2.751 10 30 AFEERN C=C(CC)CNC(=O)[C@@H]1CCC[C@H]1C 654375358 409389649 /nfs/dbraw/zinc/38/96/49/409389649.db2.gz SISNRQYHBHPRKO-GHMZBOCLSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NCC(=C)CC 654373217 409389759 /nfs/dbraw/zinc/38/97/59/409389759.db2.gz ZCRYQBGNUQSTDS-LLVKDONJSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(CC)CNC(=O)[C@H]1CCC[C@@H]1C 654375360 409389857 /nfs/dbraw/zinc/38/98/57/409389857.db2.gz SISNRQYHBHPRKO-QWRGUYRKSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NCC(=C)CC 654373218 409390021 /nfs/dbraw/zinc/39/00/21/409390021.db2.gz ZCRYQBGNUQSTDS-NSHDSACASA-N 0 0 195.306 2.671 10 30 AFEERN C=C(CC)CNC(=O)[C@H]1CCC[C@H]1C 654375359 409390049 /nfs/dbraw/zinc/39/00/49/409390049.db2.gz SISNRQYHBHPRKO-MNOVXSKESA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCC(=O)N(C)C1CC(C)(C)C1 655335470 409407395 /nfs/dbraw/zinc/40/73/95/409407395.db2.gz GCWJAAFEPVYWKW-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCOc1cc(C)ccc1C(C)=O 70159308 409418929 /nfs/dbraw/zinc/41/89/29/409418929.db2.gz DFEQMEZXEOVYOS-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=CCCCCCNc1ncccn1 656211411 409426189 /nfs/dbraw/zinc/42/61/89/409426189.db2.gz ZITCLRTZFWESSS-UHFFFAOYSA-N 0 0 191.278 2.635 10 30 AFEERN C=CCCCCCNc1cccnn1 656211155 409426394 /nfs/dbraw/zinc/42/63/94/409426394.db2.gz QIXDWQLNCDDLGJ-UHFFFAOYSA-N 0 0 191.278 2.635 10 30 AFEERN C=CCCCCCNc1cnccn1 656210831 409426923 /nfs/dbraw/zinc/42/69/23/409426923.db2.gz IGOUOQRCOSZUIT-UHFFFAOYSA-N 0 0 191.278 2.635 10 30 AFEERN C=CCCCCCNc1nnc(C)o1 656210661 409427053 /nfs/dbraw/zinc/42/70/53/409427053.db2.gz CYNIKBWZCVDZBN-UHFFFAOYSA-N 0 0 195.266 2.536 10 30 AFEERN C=CCn1cc(C2CCCCC2)nn1 656445686 409431328 /nfs/dbraw/zinc/43/13/28/409431328.db2.gz STOGDDFRDQXWAS-UHFFFAOYSA-N 0 0 191.278 2.512 10 30 AFEERN C=CCNc1cc(C)c(C)cc1OC 656659726 409445797 /nfs/dbraw/zinc/44/57/97/409445797.db2.gz IRRGZBHAJKANLD-UHFFFAOYSA-N 0 0 191.274 2.910 10 30 AFEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC 657036352 409455703 /nfs/dbraw/zinc/45/57/03/409455703.db2.gz FEECYMVZBMDYMS-MNOVXSKESA-N 0 0 195.306 2.648 10 30 AFEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CC 657036351 409455747 /nfs/dbraw/zinc/45/57/47/409455747.db2.gz FEECYMVZBMDYMS-GHMZBOCLSA-N 0 0 195.306 2.648 10 30 AFEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CC 657036354 409456056 /nfs/dbraw/zinc/45/60/56/409456056.db2.gz FEECYMVZBMDYMS-WDEREUQCSA-N 0 0 195.306 2.648 10 30 AFEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CC 657036353 409456440 /nfs/dbraw/zinc/45/64/40/409456440.db2.gz FEECYMVZBMDYMS-QWRGUYRKSA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCC1(CNC(C)=O)CCCC1 657065024 409457488 /nfs/dbraw/zinc/45/74/88/409457488.db2.gz YDAXSTJQXJGJGD-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN CC(=O)C=C(C)Nc1ccc(C)cc1 107885493 409459652 /nfs/dbraw/zinc/45/96/52/409459652.db2.gz ZQKBPMZILMKBHJ-CSKARUKUSA-N 0 0 189.258 2.900 10 30 AFEERN C=C(C)Cn1nc(CC)cc1CC 132628634 409488884 /nfs/dbraw/zinc/48/88/84/409488884.db2.gz KBXJMZZSUPEVEL-UHFFFAOYSA-N 0 0 178.279 2.584 10 30 AFEERN C=C1C(C)=C(C)[C@H]1C 196136660 409506333 /nfs/dbraw/zinc/50/63/33/409506333.db2.gz UIUQMFWWACHPSG-LURJTMIESA-N 0 0 108.184 2.529 10 30 AFEERN C=C1C(C)=C(C)[C@@H]1C 196136666 409506360 /nfs/dbraw/zinc/50/63/60/409506360.db2.gz UIUQMFWWACHPSG-ZCFIWIBFSA-N 0 0 108.184 2.529 10 30 AFEERN CCCC[C@@H](C)/C(C)=N/O 261506851 409528810 /nfs/dbraw/zinc/52/88/10/409528810.db2.gz BOUIIDFYMUEBIK-BDGYDECCSA-N 0 0 143.230 2.663 10 30 AFEERN C=C(CC)CNc1cc(C)ccn1 306283209 409550246 /nfs/dbraw/zinc/55/02/46/409550246.db2.gz BQXIINAJODNHJV-UHFFFAOYSA-N 0 0 176.263 2.768 10 30 AFEERN C=CCN1CCc2cccc(C)c21 306687817 409583061 /nfs/dbraw/zinc/58/30/61/409583061.db2.gz IFLXPSJZIURZSE-UHFFFAOYSA-N 0 0 173.259 2.544 10 30 AFEERN C=C(CC)CN1CC[C@H]1C(F)(F)F 660570868 409604064 /nfs/dbraw/zinc/60/40/64/409604064.db2.gz JJCFSTDUKNJOPM-QMMMGPOBSA-N 0 0 193.212 2.589 10 30 AFEERN C=CCCCN1CC[C@H]1C(F)(F)F 660574884 409604117 /nfs/dbraw/zinc/60/41/17/409604117.db2.gz DQGKBHOQRCAHIM-QMMMGPOBSA-N 0 0 193.212 2.589 10 30 AFEERN C=CCCCN1CC[C@@H]1C(F)(F)F 660574882 409604993 /nfs/dbraw/zinc/60/49/93/409604993.db2.gz DQGKBHOQRCAHIM-MRVPVSSYSA-N 0 0 193.212 2.589 10 30 AFEERN C=C(CC)CN1CC[C@@H]1C(F)(F)F 660570863 409605530 /nfs/dbraw/zinc/60/55/30/409605530.db2.gz JJCFSTDUKNJOPM-MRVPVSSYSA-N 0 0 193.212 2.589 10 30 AFEERN C=C(C)CCN1CC[C@@H]1C(F)(F)F 660569117 409605607 /nfs/dbraw/zinc/60/56/07/409605607.db2.gz BTXDVEGWRFBKFG-MRVPVSSYSA-N 0 0 193.212 2.589 10 30 AFEERN C=C(C)CCN1CC[C@H]1C(F)(F)F 660569118 409605638 /nfs/dbraw/zinc/60/56/38/409605638.db2.gz BTXDVEGWRFBKFG-QMMMGPOBSA-N 0 0 193.212 2.589 10 30 AFEERN CC[C@@H](C#N)Sc1ccc(C)cn1 307312110 409636231 /nfs/dbraw/zinc/63/62/31/409636231.db2.gz GIOPLRFDAJKOJZ-VIFPVBQESA-N 0 0 192.287 2.784 10 30 AFEERN C=C[C@@](C)(CC)C(=O)N1CC[C@@H]1CC 661256626 409636822 /nfs/dbraw/zinc/63/68/22/409636822.db2.gz IVUFDBBBTXBBOF-JQWIXIFHSA-N 0 0 195.306 2.600 10 30 AFEERN C=C[C@@](C)(CC)C(=O)N1CC[C@H]1CC 661256627 409637131 /nfs/dbraw/zinc/63/71/31/409637131.db2.gz IVUFDBBBTXBBOF-PWSUYJOCSA-N 0 0 195.306 2.600 10 30 AFEERN C=C[C@](C)(CC)C(=O)N1CC[C@@H]1CC 661256625 409636996 /nfs/dbraw/zinc/63/69/96/409636996.db2.gz IVUFDBBBTXBBOF-CMPLNLGQSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCC(C)(C)C(=O)N1CC[C@@H]1CC 661257763 409637201 /nfs/dbraw/zinc/63/72/01/409637201.db2.gz RBYKZXXWZXGFSW-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C=CCC(C)(C)C(=O)N1CC[C@H]1CC 661257764 409637708 /nfs/dbraw/zinc/63/77/08/409637708.db2.gz RBYKZXXWZXGFSW-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN C=C[C@](C)(CC)C(=O)N1CC[C@H]1CC 661256628 409637897 /nfs/dbraw/zinc/63/78/97/409637897.db2.gz IVUFDBBBTXBBOF-ZYHUDNBSSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@@H]1CCCN(CC(F)F)C1 661379719 409641700 /nfs/dbraw/zinc/64/17/00/409641700.db2.gz HIPXJKXUOGPKBI-SECBINFHSA-N 0 0 189.249 2.540 10 30 AFEERN C=CC[C@H]1CCCN(CC(F)F)C1 661379720 409641150 /nfs/dbraw/zinc/64/11/50/409641150.db2.gz HIPXJKXUOGPKBI-VIFPVBQESA-N 0 0 189.249 2.540 10 30 AFEERN CC#CCCSc1ccncc1C 307621587 409657812 /nfs/dbraw/zinc/65/78/12/409657812.db2.gz BMOWXRSHOBZZAT-UHFFFAOYSA-N 0 0 191.299 2.896 10 30 AFEERN C=CCN(CC(F)F)C(C)(C)C 661756269 409660515 /nfs/dbraw/zinc/66/05/15/409660515.db2.gz IFVYCQUUVIOTJF-UHFFFAOYSA-N 0 0 177.238 2.538 10 30 AFEERN C=CCCNc1sccc1C(C)=O 308151008 409689300 /nfs/dbraw/zinc/68/93/00/409689300.db2.gz OIZYCYGBABXXKM-UHFFFAOYSA-N 0 0 195.287 2.939 10 30 AFEERN C=CCCC(=O)N[C@H](C)C(C)(C)C 308336275 409710902 /nfs/dbraw/zinc/71/09/02/409710902.db2.gz ODDGWRNKFZLZHA-SECBINFHSA-N 0 0 183.295 2.503 10 30 AFEERN C=C(C)CNC(=O)C(C)(C)C(C)(C)C 308512426 409731307 /nfs/dbraw/zinc/73/13/07/409731307.db2.gz KRZPZOLCPOFJKA-UHFFFAOYSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCCCn1cnc(CC)n1 664041139 409805713 /nfs/dbraw/zinc/80/57/13/409805713.db2.gz FTSJVSHLBYMOOR-UHFFFAOYSA-N 0 0 193.294 2.587 10 30 AFEERN CC#CCCn1ccc(C(C)(C)C)n1 664043753 409810546 /nfs/dbraw/zinc/81/05/46/409810546.db2.gz GJWQYVWROFRMCK-UHFFFAOYSA-N 0 0 190.290 2.594 10 30 AFEERN C=CCCCCCOc1ccnnc1 664068586 409813484 /nfs/dbraw/zinc/81/34/84/409813484.db2.gz MPGHDMXEMJGBQI-UHFFFAOYSA-N 0 0 192.262 2.602 10 30 AFEERN C=CCn1ncc(Cl)c1C1CC1 664151063 409819367 /nfs/dbraw/zinc/81/93/67/409819367.db2.gz GPIHRYBXGAKJRO-UHFFFAOYSA-N 0 0 182.654 2.600 10 30 AFEERN C=CCOc1cccc(OC2CC2)c1 664133576 409820331 /nfs/dbraw/zinc/82/03/31/409820331.db2.gz ABJHYBULQLNVDD-UHFFFAOYSA-N 0 0 190.242 2.793 10 30 AFEERN C=CCOc1ccc(OC2CC2)cc1 664126372 409820512 /nfs/dbraw/zinc/82/05/12/409820512.db2.gz LEIYMANAXNSWJV-UHFFFAOYSA-N 0 0 190.242 2.793 10 30 AFEERN C=CCCCCn1cc(C2CC2)nn1 664123305 409820660 /nfs/dbraw/zinc/82/06/60/409820660.db2.gz BLIJVIOXGJCLEI-UHFFFAOYSA-N 0 0 191.278 2.512 10 30 AFEERN C=CCCNc1nccnc1C(C)C 664227047 409822031 /nfs/dbraw/zinc/82/20/31/409822031.db2.gz ZJXOBCKFQXVUDG-UHFFFAOYSA-N 0 0 191.278 2.588 10 30 AFEERN C=CCCNc1nnc(C(C)C)s1 664229135 409822517 /nfs/dbraw/zinc/82/25/17/409822517.db2.gz XKLFSCCGLFUOHF-UHFFFAOYSA-N 0 0 197.307 2.650 10 30 AFEERN C=C(C)c1cccc2c1COCC2 665176594 409847819 /nfs/dbraw/zinc/84/78/19/409847819.db2.gz GMYGXJORJCCIQC-UHFFFAOYSA-N 0 0 174.243 2.792 10 30 AFEERN C[S+](C)c1c[n-]c2ccc(F)cc12 584609486 410122282 /nfs/dbraw/zinc/12/22/82/410122282.db2.gz UTXGPBQZXZOINQ-UHFFFAOYSA-N 0 0 196.270 2.544 10 30 AFEERN COc1ccc(C(=O)C=C(C)F)cc1 584609498 410122432 /nfs/dbraw/zinc/12/24/32/410122432.db2.gz ANDJTWPYLYYMQI-BQYQJAHWSA-N 0 0 194.205 2.751 10 30 AFEERN C[C@H](C#N)[Si](C)(C)c1ccccc1 584622506 410122964 /nfs/dbraw/zinc/12/29/64/410122964.db2.gz ZSNYAXKBQOIOGL-SNVBAGLBSA-N 0 0 189.334 2.516 10 30 AFEERN C[C@@H](C#N)[Si](C)(C)c1ccccc1 584622500 410122974 /nfs/dbraw/zinc/12/29/74/410122974.db2.gz ZSNYAXKBQOIOGL-JTQLQIEISA-N 0 0 189.334 2.516 10 30 AFEERN CC(C)(C=O)CC#Cc1cccs1 584622582 410122992 /nfs/dbraw/zinc/12/29/92/410122992.db2.gz GQQWZTZRXDTKOP-UHFFFAOYSA-N 0 0 192.283 2.715 10 30 AFEERN CCC#CCC1=C(OC(C)=O)CCC1 584622485 410123056 /nfs/dbraw/zinc/12/30/56/410123056.db2.gz YIKRWUSQQIOUKS-UHFFFAOYSA-N 0 0 192.258 2.791 10 30 AFEERN C=C[C@@H](C)OC(=O)c1ccccc1C 584631314 410124270 /nfs/dbraw/zinc/12/42/70/410124270.db2.gz KROPAVSHLMTURA-SNVBAGLBSA-N 0 0 190.242 2.726 10 30 AFEERN C=C[C@H](C)OC(=O)c1ccccc1C 584631310 410124340 /nfs/dbraw/zinc/12/43/40/410124340.db2.gz KROPAVSHLMTURA-JTQLQIEISA-N 0 0 190.242 2.726 10 30 AFEERN C=CCCc1ccccc1NC#N 584646768 410125110 /nfs/dbraw/zinc/12/51/10/410125110.db2.gz BELPISVQPPCNSM-UHFFFAOYSA-N 0 0 172.231 2.698 10 30 AFEERN C=CC(C)(C)C(=O)NC[C@H](C)C(C)C 648957504 410169887 /nfs/dbraw/zinc/16/98/87/410169887.db2.gz YPTRPVFFVPVNLK-JTQLQIEISA-N 0 0 197.322 2.607 10 30 AFEERN C=CC(C)(C)C(=O)NC[C@@H](C)C(C)C 648957505 410169073 /nfs/dbraw/zinc/16/90/73/410169073.db2.gz YPTRPVFFVPVNLK-SNVBAGLBSA-N 0 0 197.322 2.607 10 30 AFEERN C=CC[C@H](C)NC(=O)CCCC(C)C 648945614 410170409 /nfs/dbraw/zinc/17/04/09/410170409.db2.gz WVKXGNKLZNWULD-NSHDSACASA-N 0 0 197.322 2.894 10 30 AFEERN C=CCCCN(C)C(=O)C(C)(C)C=C 648952770 410170446 /nfs/dbraw/zinc/17/04/46/410170446.db2.gz IYYBNIXCXSGTBG-UHFFFAOYSA-N 0 0 195.306 2.623 10 30 AFEERN C=CC[C@@H](C)NC(=O)CCCC(C)C 648945613 410170506 /nfs/dbraw/zinc/17/05/06/410170506.db2.gz WVKXGNKLZNWULD-LLVKDONJSA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)C(=O)NCC1(C)CCC1 649083053 410172289 /nfs/dbraw/zinc/17/22/89/410172289.db2.gz DKFKWHMEBCRBFL-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=C[C@H](C)NC(=O)CCCC(C)C 649116767 410174298 /nfs/dbraw/zinc/17/42/98/410174298.db2.gz BXHYGBXDLYNZAN-JTQLQIEISA-N 0 0 183.295 2.503 10 30 AFEERN C=C[C@@H](C)NC(=O)CCCC(C)C 649116768 410175243 /nfs/dbraw/zinc/17/52/43/410175243.db2.gz BXHYGBXDLYNZAN-SNVBAGLBSA-N 0 0 183.295 2.503 10 30 AFEERN C=CCCCCN(C)CC(F)F 649285869 410184480 /nfs/dbraw/zinc/18/44/80/410184480.db2.gz ANCHAZKBZXCZPQ-UHFFFAOYSA-N 0 0 177.238 2.540 10 30 AFEERN C=CCCCCN(C)CC(F)(F)F 649310297 410187734 /nfs/dbraw/zinc/18/77/34/410187734.db2.gz BCSPTHCDBKFEAI-UHFFFAOYSA-N 0 0 195.228 2.837 10 30 AFEERN C=C(C)CN(C)C(=O)CCCC(C)C 649337607 410191672 /nfs/dbraw/zinc/19/16/72/410191672.db2.gz DXKRCXYJWFVBPA-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCCSc1ncccn1 649397889 410193498 /nfs/dbraw/zinc/19/34/98/410193498.db2.gz BIUVOXGCSMAAQQ-UHFFFAOYSA-N 0 0 194.303 2.925 10 30 AFEERN C=CCCCCNC(=O)[C@@H]1C[C@H]1CC 649415724 410196172 /nfs/dbraw/zinc/19/61/72/410196172.db2.gz JTMLTIXLNWMCOF-GHMZBOCLSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)c1ccc2c(c1)NC(=O)CC2 649444096 410201299 /nfs/dbraw/zinc/20/12/99/410201299.db2.gz BHEONAFNSSEKGP-UHFFFAOYSA-N 0 0 187.242 2.604 10 30 AFEERN C=C(C)c1ccccc1OCCOC 649444090 410202107 /nfs/dbraw/zinc/20/21/07/410202107.db2.gz AVXRCZGVZKDMQY-UHFFFAOYSA-N 0 0 192.258 2.745 10 30 AFEERN C=C(C)c1ccc2c(c1)C(=O)CC2 649444236 410202185 /nfs/dbraw/zinc/20/21/85/410202185.db2.gz JQMGWUIJKCLXAQ-UHFFFAOYSA-N 0 0 172.227 2.849 10 30 AFEERN C=C(C)CNC(=O)CCCC(C)C 649457033 410205150 /nfs/dbraw/zinc/20/51/50/410205150.db2.gz UCRVXKHAQIQDCT-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=CCCCCSc1cccnn1 649536622 410209763 /nfs/dbraw/zinc/20/97/63/410209763.db2.gz RDHYSRVTIPKRGI-UHFFFAOYSA-N 0 0 194.303 2.925 10 30 AFEERN C=CCCCCSc1cnccn1 649495698 410210699 /nfs/dbraw/zinc/21/06/99/410210699.db2.gz FGKNWHUQNDZMQN-UHFFFAOYSA-N 0 0 194.303 2.925 10 30 AFEERN C=CCCN(C)C(=O)CCCC(C)C 649644334 410217305 /nfs/dbraw/zinc/21/73/05/410217305.db2.gz FXKLLXIVMWNUBJ-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN CC#CCCSc1ncccc1F 649640864 410219129 /nfs/dbraw/zinc/21/91/29/410219129.db2.gz YBJXUAGSGLHVQP-UHFFFAOYSA-N 0 0 195.262 2.726 10 30 AFEERN C=C(CC)CN1CCCC(F)(F)C1 649694961 410226521 /nfs/dbraw/zinc/22/65/21/410226521.db2.gz BHGJGXNFVBXZCL-UHFFFAOYSA-N 0 0 189.249 2.684 10 30 AFEERN C=CCCCNC(=O)CCCC(C)C 649841383 410240309 /nfs/dbraw/zinc/24/03/09/410240309.db2.gz QUWSMLSOHURANC-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1CC 649929677 410246262 /nfs/dbraw/zinc/24/62/62/410246262.db2.gz IZBRUJJQFJANKW-OUAUKWLOSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1CC 649929676 410247559 /nfs/dbraw/zinc/24/75/59/410247559.db2.gz IZBRUJJQFJANKW-GMTAPVOTSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCCN(C)C(=O)C(C)(C)CCC 649951023 410250136 /nfs/dbraw/zinc/25/01/36/410250136.db2.gz BSLAZPYOGDZSOV-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)CCn1cc(C2CC2)cn1 650345001 410266514 /nfs/dbraw/zinc/26/65/14/410266514.db2.gz KCAAKTMLTVJYBM-UHFFFAOYSA-N 0 0 176.263 2.727 10 30 AFEERN C=CCCCCOCc1n[nH]cc1C 650345676 410267348 /nfs/dbraw/zinc/26/73/48/410267348.db2.gz UPQWKGYMJRGYAB-UHFFFAOYSA-N 0 0 194.278 2.591 10 30 AFEERN C=C(CC)Cn1cc(C2CC2)cn1 650344340 410267710 /nfs/dbraw/zinc/26/77/10/410267710.db2.gz HDRJWWBHMGOFMX-UHFFFAOYSA-N 0 0 176.263 2.727 10 30 AFEERN C=CCCCn1cc(C2CC2)cn1 650343863 410267870 /nfs/dbraw/zinc/26/78/70/410267870.db2.gz JZHYUKBCDOLTML-UHFFFAOYSA-N 0 0 176.263 2.727 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NC1(CC)CC1 650678829 410275093 /nfs/dbraw/zinc/27/50/93/410275093.db2.gz JCCDKESNJXBRHP-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NC1(CC)CC1 650678830 410275172 /nfs/dbraw/zinc/27/51/72/410275172.db2.gz JCCDKESNJXBRHP-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)C1CC1 650762971 410278136 /nfs/dbraw/zinc/27/81/36/410278136.db2.gz NSJLCNPLNYPRFL-VHSXEESVSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)C1CC1 650762970 410279319 /nfs/dbraw/zinc/27/93/19/410279319.db2.gz NSJLCNPLNYPRFL-NXEZZACHSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)C1CC1 650770632 410280967 /nfs/dbraw/zinc/28/09/67/410280967.db2.gz NSJLCNPLNYPRFL-UWVGGRQHSA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CC1 650770609 410281331 /nfs/dbraw/zinc/28/13/31/410281331.db2.gz BXBJTFHNYAEWKO-CABZTGNLSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C1CC1 650770633 410281659 /nfs/dbraw/zinc/28/16/59/410281659.db2.gz NSJLCNPLNYPRFL-ZJUUUORDSA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CC1 650770610 410281710 /nfs/dbraw/zinc/28/17/10/410281710.db2.gz BXBJTFHNYAEWKO-JOYOIKCWSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NC/C=C\CC 650823929 410283574 /nfs/dbraw/zinc/28/35/74/410283574.db2.gz GRKUWGBPKOQFAX-JMEBYUIHSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NC/C=C/CC 650823930 410283994 /nfs/dbraw/zinc/28/39/94/410283994.db2.gz GRKUWGBPKOQFAX-MLRMMBSGSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NC/C=C/CC 650823931 410284345 /nfs/dbraw/zinc/28/43/45/410284345.db2.gz GRKUWGBPKOQFAX-XUIVZRPNSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NC/C=C\CC 650823932 410284736 /nfs/dbraw/zinc/28/47/36/410284736.db2.gz GRKUWGBPKOQFAX-ZADCQDASSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)CCNC(=O)[C@@H](C)CC(C)C 650928264 410288372 /nfs/dbraw/zinc/28/83/72/410288372.db2.gz PFZGRRAQJCJFFG-NSHDSACASA-N 0 0 197.322 2.751 10 30 AFEERN C=C(C)CCNC(=O)[C@@H]1CCC[C@H]1C 650928247 410288399 /nfs/dbraw/zinc/28/83/99/410288399.db2.gz KDWVJRVVZYSGHI-GHMZBOCLSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)CCNC(=O)[C@H](C)CC(C)C 650928263 410288520 /nfs/dbraw/zinc/28/85/20/410288520.db2.gz PFZGRRAQJCJFFG-LLVKDONJSA-N 0 0 197.322 2.751 10 30 AFEERN C=C(C)CCNC(=O)CCCC(C)C 650928154 410288568 /nfs/dbraw/zinc/28/85/68/410288568.db2.gz VJGJFTFINIAFKB-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=C(C)CCNC(=O)[C@@H](C)CC(=C)C 650928179 410288739 /nfs/dbraw/zinc/28/87/39/410288739.db2.gz FQRGZOBZQXMWTD-NSHDSACASA-N 0 0 195.306 2.671 10 30 AFEERN C=CC(C)(C)C(=O)N[C@H](C)C(C)(C)C 650867261 410289384 /nfs/dbraw/zinc/28/93/84/410289384.db2.gz JROGGLWTENIPHI-SECBINFHSA-N 0 0 197.322 2.749 10 30 AFEERN C=C(C)CCNC(=O)[C@H]1CCC[C@H]1C 650928248 410289685 /nfs/dbraw/zinc/28/96/85/410289685.db2.gz KDWVJRVVZYSGHI-MNOVXSKESA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)CCNC(=O)[C@H](C)CC(=C)C 650928178 410289961 /nfs/dbraw/zinc/28/99/61/410289961.db2.gz FQRGZOBZQXMWTD-LLVKDONJSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)CCNC(=O)[C@H]1CCC[C@@H]1C 650928249 410290097 /nfs/dbraw/zinc/29/00/97/410290097.db2.gz KDWVJRVVZYSGHI-QWRGUYRKSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)CCNC(=O)[C@@H]1CCC[C@@H]1C 650928250 410290328 /nfs/dbraw/zinc/29/03/28/410290328.db2.gz KDWVJRVVZYSGHI-WDEREUQCSA-N 0 0 195.306 2.505 10 30 AFEERN CC[C@H]1CCCCC1=NOC 307850426 629818865 /nfs/dbraw/zinc/81/88/65/629818865.db2.gz AUQFRLYJINMHER-QMMMGPOBSA-N 0 0 155.241 2.589 10 30 AFEERN CC[C@H](C=O)c1ccc2c(c1)CCC2 41204216 571980711 /nfs/dbraw/zinc/98/07/11/571980711.db2.gz VXFCGJHTONQGHP-SNVBAGLBSA-N 0 0 188.270 2.868 10 30 AFEERN CCc1ccc([C@@H](C#N)CC#N)cc1 41202650 571980721 /nfs/dbraw/zinc/98/07/21/571980721.db2.gz AMFPARFPOQIMLX-GFCCVEGCSA-N 0 0 184.242 2.770 10 30 AFEERN CC(C)C[C@@H](C)C[C@@]1(C=O)CCOC1 317322472 572004216 /nfs/dbraw/zinc/00/42/16/572004216.db2.gz WERCUPCLBPIHAL-VXGBXAGGSA-N 0 0 198.306 2.664 10 30 AFEERN C#CCNc1cccc2ccc(C)nc12 68991128 572012148 /nfs/dbraw/zinc/01/21/48/572012148.db2.gz PQYCZHHKBZWKRX-UHFFFAOYSA-N 0 0 196.253 2.588 10 30 AFEERN N#Cc1cnccc1-c1cccc(F)c1 219642275 572012188 /nfs/dbraw/zinc/01/21/88/572012188.db2.gz QWRZEHUPWROYAK-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CC/C=C\C(=O)CCOCCC(C)C 687698699 572016556 /nfs/dbraw/zinc/01/65/56/572016556.db2.gz UQSJYHZDQCZDED-WAYWQWQTSA-N 0 0 198.306 2.975 10 30 AFEERN C=C[C@@H](C)n1ccnc1CCC 69963885 572162949 /nfs/dbraw/zinc/16/29/49/572162949.db2.gz CPGCNPWJSMXWHB-SECBINFHSA-N 0 0 164.252 2.583 10 30 AFEERN Cc1cncc(C)c1N=[N+]=[N-] 34172771 572060246 /nfs/dbraw/zinc/06/02/46/572060246.db2.gz JCUNXLYKRRJAIM-UHFFFAOYSA-N 0 0 148.169 2.640 10 30 AFEERN C/C=C\[C@H](CC=O)c1ccccc1 34484463 572086744 /nfs/dbraw/zinc/08/67/44/572086744.db2.gz RWOZLWNDLXADKB-WPPTZLTKSA-N 0 0 174.243 2.935 10 30 AFEERN C=C[C@@H]1C=CC[C@]2(C)C(=O)CC[C@H]12 307076634 572879724 /nfs/dbraw/zinc/87/97/24/572879724.db2.gz OVXWBGFZEYBIDK-FOGDFJRCSA-N 0 0 176.259 2.734 10 30 AFEERN CC1(C=NOC(C)(C)C)CCC1 307971458 572879727 /nfs/dbraw/zinc/87/97/27/572879727.db2.gz YAOBKCAQVAIJFE-UHFFFAOYSA-N 0 0 169.268 2.978 10 30 AFEERN O=C(C#Cc1ccccc1)CCC1CC1 307469199 572528760 /nfs/dbraw/zinc/52/87/60/572528760.db2.gz SSYMSVWDFYDHKF-UHFFFAOYSA-N 0 0 198.265 2.797 10 30 AFEERN C=CC[C@@H](NN)[C@@H](CCC)CC(C)C 308078510 572628424 /nfs/dbraw/zinc/62/84/24/572628424.db2.gz YOMKRZGHBGXEGT-NWDGAFQWSA-N 0 0 198.354 2.857 10 30 AFEERN C=CCCC(=O)[C@H]1CCCCS1 87701801 572678229 /nfs/dbraw/zinc/67/82/29/572678229.db2.gz GMXBAYGDKDYVHF-SNVBAGLBSA-N 0 0 184.304 2.807 10 30 AFEERN C#CCc1sccc1SC 306577439 572678240 /nfs/dbraw/zinc/67/82/40/572678240.db2.gz LIRVPCBVFWRYSL-UHFFFAOYSA-N 0 0 168.286 2.646 10 30 AFEERN C=C(CC)CC(=O)[C@H]1CCCS1 87701480 572678244 /nfs/dbraw/zinc/67/82/44/572678244.db2.gz DIBSNZAEIMVREN-SNVBAGLBSA-N 0 0 184.304 2.807 10 30 AFEERN Cc1ccc(N(C)CCC#N)cc1C 49806315 572811372 /nfs/dbraw/zinc/81/13/72/572811372.db2.gz CPMSPFHRGOAQQB-UHFFFAOYSA-N 0 0 188.274 2.653 10 30 AFEERN N#Cc1ccc2c(n1)[nH]c1ccccc12 238567501 572830450 /nfs/dbraw/zinc/83/04/50/572830450.db2.gz JYHKMTKLZZSSJM-UHFFFAOYSA-N 0 0 193.209 2.588 10 30 AFEERN C#CCCC[C@@H](O)c1ccc(Cl)o1 236544149 572830493 /nfs/dbraw/zinc/83/04/93/572830493.db2.gz SLTHUPMPEZRWMD-MRVPVSSYSA-N 0 0 198.649 2.770 10 30 AFEERN C[C@H](C#N)c1c(C#N)[nH]c2ccccc12 75597970 572878967 /nfs/dbraw/zinc/87/89/67/572878967.db2.gz QPVGZWRQXJXKNZ-MRVPVSSYSA-N 0 0 195.225 2.667 10 30 AFEERN CC1=C[C@H](C(C)(C)C#N)CC1 75538600 572878976 /nfs/dbraw/zinc/87/89/76/572878976.db2.gz RAVOQAUACDHLQF-SECBINFHSA-N 0 0 149.237 2.892 10 30 AFEERN CC=C=C[C@@](C)(C=O)c1ccccc1 238241997 572996375 /nfs/dbraw/zinc/99/63/75/572996375.db2.gz JDOPEMXHFHJZOC-LDLAIORQSA-N 0 0 186.254 2.874 10 30 AFEERN C=CCCC[C@H](O)C[C@H]1CCCCO1 128322593 572996387 /nfs/dbraw/zinc/99/63/87/572996387.db2.gz AVKFLKAZSVPPCP-NWDGAFQWSA-N 0 0 198.306 2.663 10 30 AFEERN Cc1cc(O)cc(C)c1[C@H](C)CC=O 258205357 572996431 /nfs/dbraw/zinc/99/64/31/572996431.db2.gz YWLMPBREFZZJHR-MRVPVSSYSA-N 0 0 192.258 2.702 10 30 AFEERN C=CCC[C@@H](C)Sc1nccn1C 308219498 572996446 /nfs/dbraw/zinc/99/64/46/572996446.db2.gz BNELVYHMQWMFMF-SECBINFHSA-N 0 0 196.319 2.867 10 30 AFEERN N#CCCCc1cc(F)c(F)c(F)c1 104530989 572996184 /nfs/dbraw/zinc/99/61/84/572996184.db2.gz OQDBSLWQZSJSTC-UHFFFAOYSA-N 0 0 199.175 2.950 10 30 AFEERN COc1cc(C)cc(C)c1[C@H]1O[C@@H]1C 259330407 573100790 /nfs/dbraw/zinc/10/07/90/573100790.db2.gz OPXGDORFRCKEMQ-SKDRFNHKSA-N 0 0 192.258 2.772 10 30 AFEERN C[C@H](C=O)c1ccc(F)cc1Cl 85656923 573100852 /nfs/dbraw/zinc/10/08/52/573100852.db2.gz MBNPQAPSJFJOLD-ZCFIWIBFSA-N 0 0 186.613 2.782 10 30 AFEERN O=CCCc1ccc2occc2c1F 257943675 573100635 /nfs/dbraw/zinc/10/06/35/573100635.db2.gz AEDPVVFXWYVEON-UHFFFAOYSA-N 0 0 192.189 2.703 10 30 AFEERN CC[C@@H]1C[C@@H](CC)C(C)=CC1=O 238279434 573106106 /nfs/dbraw/zinc/10/61/06/573106106.db2.gz PXTMNDRAPLXJKU-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)Cn1nc(C(C)C)cc1C#N 259332455 573111068 /nfs/dbraw/zinc/11/10/68/573111068.db2.gz LBEPMCHPGGKDMV-UHFFFAOYSA-N 0 0 191.278 2.534 10 30 AFEERN C[C@@H](F)[C@H](CC=O)C1CCCC1 257953569 573111163 /nfs/dbraw/zinc/11/11/63/573111163.db2.gz WOJBKWAIGUFBPE-SCZZXKLOSA-N 0 0 172.243 2.740 10 30 AFEERN C#C[C@](C)(CC)[C@H]1CCCCC1=O 238286633 573111216 /nfs/dbraw/zinc/11/12/16/573111216.db2.gz VZPHKMLJAVMWMG-CMPLNLGQSA-N 0 0 178.275 2.795 10 30 AFEERN C#C[C@](C)(CC)[C@@H]1CCCCC1=O 238286594 573111281 /nfs/dbraw/zinc/11/12/81/573111281.db2.gz VZPHKMLJAVMWMG-ZYHUDNBSSA-N 0 0 178.275 2.795 10 30 AFEERN Cc1[nH]c(C(C)(C)C#N)nc1C(C)C 258528791 573111357 /nfs/dbraw/zinc/11/13/57/573111357.db2.gz HZECFUYZGBMQEM-UHFFFAOYSA-N 0 0 191.278 2.643 10 30 AFEERN C[C@H](CC=O)C(Cl)(Cl)Cl 142057177 573113896 /nfs/dbraw/zinc/11/38/96/573113896.db2.gz RQLRKYOIFKDOAA-SCSAIBSYSA-N 0 0 189.469 2.582 10 30 AFEERN CCc1[nH]c2ccc(C)cc2c1C#N 238296495 573166600 /nfs/dbraw/zinc/16/66/00/573166600.db2.gz IWLRAGLGKWBSLG-UHFFFAOYSA-N 0 0 184.242 2.910 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@H](C)CC 308289069 573166626 /nfs/dbraw/zinc/16/66/26/573166626.db2.gz FZJAQBRBPGOSPQ-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN O=C[C@@H]1CCC[C@H]2CCCC[C@@H]12 115028855 573151185 /nfs/dbraw/zinc/15/11/85/573151185.db2.gz OCRYDFWDUSNRHP-OUAUKWLOSA-N 0 0 166.264 2.792 10 30 AFEERN C=CCC(=O)C(CC)(CC)OCC 159346897 573166677 /nfs/dbraw/zinc/16/66/77/573166677.db2.gz CEPMXIUCKDCDTM-UHFFFAOYSA-N 0 0 184.279 2.727 10 30 AFEERN CCC1(CC)CN([C@](C)(C#N)CC)C1 308300289 573166800 /nfs/dbraw/zinc/16/68/00/573166800.db2.gz MPJQXJYRHRCTIV-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN C#CC[C@@](C)(O)CCC=C(C)C 145384405 573166836 /nfs/dbraw/zinc/16/68/36/573166836.db2.gz JHVCWXFHJQISIF-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN C=CCCCC(=O)O[C@@]1(C)C[C@@H]1C 308289766 573166880 /nfs/dbraw/zinc/16/68/80/573166880.db2.gz GKTCGDCVADFEBS-ONGXEEELSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCOC(=O)[C@@H]1CCC(C)(C)C1 308289407 573166911 /nfs/dbraw/zinc/16/69/11/573166911.db2.gz GELCFWCJQUJOQL-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCC(C)(C)C(=O)OCC(C)C 308289264 573166919 /nfs/dbraw/zinc/16/69/19/573166919.db2.gz DLAJAFOINDDSRI-UHFFFAOYSA-N 0 0 184.279 2.788 10 30 AFEERN C=CCCCC(=O)O[C@]1(C)C[C@@H]1C 308289763 573168146 /nfs/dbraw/zinc/16/81/46/573168146.db2.gz GKTCGDCVADFEBS-GXSJLCMTSA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)CC(=O)[C@](C)(CC)OCC 159343822 573168168 /nfs/dbraw/zinc/16/81/68/573168168.db2.gz YKMOKLRKMSTHOD-NSHDSACASA-N 0 0 184.279 2.727 10 30 AFEERN CC[C@](O)(C(C)C)C1(C#N)CCCC1 85882269 573183802 /nfs/dbraw/zinc/18/38/02/573183802.db2.gz HNPNYRSFJFOHIU-LBPRGKRZSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H](C=O)CCc1cccs1 82762834 573183583 /nfs/dbraw/zinc/18/35/83/573183583.db2.gz HSXLRVWELLSWMO-QMMMGPOBSA-N 0 0 168.261 2.516 10 30 AFEERN CC[C@@](C)(C#N)C1(O)CCCCC1 85879774 573183594 /nfs/dbraw/zinc/18/35/94/573183594.db2.gz AEGKZDKAXKYBID-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN CC[C@](C)(C#N)[C@]1(O)CCC[C@H](C)C1 85879891 573183638 /nfs/dbraw/zinc/18/36/38/573183638.db2.gz AGQBOJKAYWIMOX-TUAOUCFPSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H](C=O)CCC1CCCC1 82762918 573183674 /nfs/dbraw/zinc/18/36/74/573183674.db2.gz YVJNXXOVYVAEMS-VIFPVBQESA-N 0 0 154.253 2.792 10 30 AFEERN [N-]=[N+]=Nc1cccs1 104682462 573183716 /nfs/dbraw/zinc/18/37/16/573183716.db2.gz FEBNATBNLKBNIU-UHFFFAOYSA-N 0 0 125.156 2.690 10 30 AFEERN C=C(C)C(=O)C1(OCC)CCCCC1 159395996 573183819 /nfs/dbraw/zinc/18/38/19/573183819.db2.gz JQKJSVDSXSAGDM-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN CCN(CC)[C@@H](C#N)[C@H](C)C(C)C 308294572 573183832 /nfs/dbraw/zinc/18/38/32/573183832.db2.gz ROAHTIWUFMCTJX-MNOVXSKESA-N 0 0 182.311 2.512 10 30 AFEERN C[C@@H](C=O)Cc1cncc2ccccc12 82762981 573183857 /nfs/dbraw/zinc/18/38/57/573183857.db2.gz DOTJIQISSJUINE-SNVBAGLBSA-N 0 0 199.253 2.612 10 30 AFEERN CC[C@@H]1CCC[C@@](C#N)(C(C)(C)O)C1 85881242 573183991 /nfs/dbraw/zinc/18/39/91/573183991.db2.gz BJWXCBLPORFHKU-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCCC[C@H](C)C=O 82762960 573183994 /nfs/dbraw/zinc/18/39/94/573183994.db2.gz XQRPEXINSCDAPK-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN C[C@H](C=O)Cc1cncc2ccccc12 82762980 573184011 /nfs/dbraw/zinc/18/40/11/573184011.db2.gz DOTJIQISSJUINE-JTQLQIEISA-N 0 0 199.253 2.612 10 30 AFEERN CC(C)(O)C1(C#N)CCCCCC1 85881339 573184030 /nfs/dbraw/zinc/18/40/30/573184030.db2.gz LVOBQNAMEKTHIA-UHFFFAOYSA-N 0 0 181.279 2.621 10 30 AFEERN CC[C@@](O)(C(C)C)C1(C#N)CCCC1 85882265 573184038 /nfs/dbraw/zinc/18/40/38/573184038.db2.gz HNPNYRSFJFOHIU-GFCCVEGCSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1C=CCC=C2C(=O)CC[C@@H]21 238299968 573184041 /nfs/dbraw/zinc/18/40/41/573184041.db2.gz OMOMVAIIVPWLCQ-NXEZZACHSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccc(F)cc1C[C@@H](C)C=O 82762804 573184043 /nfs/dbraw/zinc/18/40/43/573184043.db2.gz AMVPOSGTOIAONN-MRVPVSSYSA-N 0 0 180.222 2.512 10 30 AFEERN Cc1cc(C[C@H](C)C=O)ccc1F 82762888 573184051 /nfs/dbraw/zinc/18/40/51/573184051.db2.gz CARQSKDJVOFEOG-QMMMGPOBSA-N 0 0 180.222 2.512 10 30 AFEERN C[C@H]1CCCC[C@]1(O)C1(C#N)CCC1 85880301 573184164 /nfs/dbraw/zinc/18/41/64/573184164.db2.gz YBYKSQZRXIDTFN-CMPLNLGQSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@]1(C)CC[C@@H](C#N)C1 257961655 573184209 /nfs/dbraw/zinc/18/42/09/573184209.db2.gz HBIFTRKLUJNBJG-BDAKNGLRSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@H](C#N)c1ccc([C@H](C)O)cc1 238300367 573184216 /nfs/dbraw/zinc/18/42/16/573184216.db2.gz HREFDMSSTODALS-VHSXEESVSA-N 0 0 189.258 2.757 10 30 AFEERN CC[C@H](C#N)c1ccc([C@@H](C)O)cc1 238300354 573184225 /nfs/dbraw/zinc/18/42/25/573184225.db2.gz HREFDMSSTODALS-NXEZZACHSA-N 0 0 189.258 2.757 10 30 AFEERN C[C@H]1CCc2ccc(C#N)cc21 257961552 573184305 /nfs/dbraw/zinc/18/43/05/573184305.db2.gz GYFIVCBSFCHALQ-QMMMGPOBSA-N 0 0 157.216 2.608 10 30 AFEERN CC[C@@H](C#N)[C@@](C)(O)c1cccs1 85883146 573184444 /nfs/dbraw/zinc/18/44/44/573184444.db2.gz JZMLWDQHUMOZRN-WCBMZHEXSA-N 0 0 195.287 2.505 10 30 AFEERN CC[C@H](C#N)[C@@H](C#N)c1ccccc1 238300018 573184458 /nfs/dbraw/zinc/18/44/58/573184458.db2.gz JSKUTZSOTDMIRG-ZYHUDNBSSA-N 0 0 184.242 2.844 10 30 AFEERN Cc1ccc(F)cc1C[C@H](C)C=O 82762805 573184521 /nfs/dbraw/zinc/18/45/21/573184521.db2.gz AMVPOSGTOIAONN-QMMMGPOBSA-N 0 0 180.222 2.512 10 30 AFEERN CCCC1CCC(O)([C@@H](C)C#N)CC1 85880049 573184544 /nfs/dbraw/zinc/18/45/44/573184544.db2.gz WJUMQNNKFKVGMJ-UNXYVOJBSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@](C)(C#N)C1(O)CCCCC1 85879777 573184577 /nfs/dbraw/zinc/18/45/77/573184577.db2.gz AEGKZDKAXKYBID-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN CC(C)C1CCC(O)([C@@H](C)C#N)CC1 85882693 573184610 /nfs/dbraw/zinc/18/46/10/573184610.db2.gz AXFOBCIVMPZKEK-UNXYVOJBSA-N 0 0 195.306 2.723 10 30 AFEERN Cc1c(C#N)cnc2ccc(F)cc12 257960934 573184618 /nfs/dbraw/zinc/18/46/18/573184618.db2.gz XJBSXNCUFPFLDB-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN CC[C@@H]1CC[C@](C#N)([C@](C)(O)CC)C1 85881383 573184620 /nfs/dbraw/zinc/18/46/20/573184620.db2.gz PRDSBXBPQNKMSX-UTUOFQBUSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H]1CC[C@](C#N)(C2(O)CCCC2)C1 85880435 573184633 /nfs/dbraw/zinc/18/46/33/573184633.db2.gz CHNKNGVKNSVPDD-QWRGUYRKSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H](C#N)[C@@H](O)C1CCCCCC1 85896406 573200178 /nfs/dbraw/zinc/20/01/78/573200178.db2.gz SPDRZKACWKQOBC-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CC[C@H](C)C[C@@H]1C 85895014 573199422 /nfs/dbraw/zinc/19/94/22/573199422.db2.gz LJIKSABGPADJNM-YFKTTZPYSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1C[C@H](C)CC(O)(C(C)(C)C#N)C1 85894713 573199554 /nfs/dbraw/zinc/19/95/54/573199554.db2.gz TUZDJYXTMWAGDQ-UWVGGRQHSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1CC[C@@](O)(C2(C#N)CCCC2)C1 85894405 573199577 /nfs/dbraw/zinc/19/95/77/573199577.db2.gz AOXDSWJCQAAVLQ-JQWIXIFHSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@H]1CCC[C@@](O)([C@@H](C)C#N)CC1 85895921 573199590 /nfs/dbraw/zinc/19/95/90/573199590.db2.gz NJLMXXDQHVDEJN-TUAOUCFPSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@@H](O)C1CCC(C)CC1 85896473 573199635 /nfs/dbraw/zinc/19/96/35/573199635.db2.gz VRWJAMGMRBNDER-RUJICJSRSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H](C#N)[C@@]1(O)CCCC(C)(C)CC1 85895988 573199667 /nfs/dbraw/zinc/19/96/67/573199667.db2.gz PSKLRMDIDQGKTR-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@H](O)[C@@H]1CCC[C@H](C)C1 85896547 573199674 /nfs/dbraw/zinc/19/96/74/573199674.db2.gz JCKMOPCZQAGZOQ-QCNOEVLYSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@H](C#N)[C@H](O)C1CCC(C)CC1 85896466 573199711 /nfs/dbraw/zinc/19/97/11/573199711.db2.gz VRWJAMGMRBNDER-RSJDFQLWSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]1CCC[C@@](O)(C(C)(C)C#N)CC1 85895826 573199725 /nfs/dbraw/zinc/19/97/25/573199725.db2.gz ISUFYEPSQHJCLB-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H]1CC[C@](C#N)(C2(O)CCC2)C1 85898180 573199732 /nfs/dbraw/zinc/19/97/32/573199732.db2.gz PIJXDLRHEKDMCP-QWRGUYRKSA-N 0 0 193.290 2.621 10 30 AFEERN C=CC[C@@H](CC)OC(=O)[C@H](C)CC 308304975 573199746 /nfs/dbraw/zinc/19/97/46/573199746.db2.gz NZSXPIKJBGTZCK-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN CC[C@@H](C#N)[C@@]1(O)CCCC(C)(C)C1 85894307 573199750 /nfs/dbraw/zinc/19/97/50/573199750.db2.gz SFLYUNSYQGWFKK-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CC[C@@H](C)[C@](O)(C(C)(C)C#N)C1 85895069 573199801 /nfs/dbraw/zinc/19/98/01/573199801.db2.gz PJZUPKAUOAGPSV-FOGDFJRCSA-N 0 0 195.306 2.723 10 30 AFEERN Cc1cncc(C(=O)C2=CCCC2)c1 235929046 573199865 /nfs/dbraw/zinc/19/98/65/573199865.db2.gz JMOMVAGQJUAILB-UHFFFAOYSA-N 0 0 187.242 2.683 10 30 AFEERN C/C=C\CSc1ncccc1C#N 308305782 573199874 /nfs/dbraw/zinc/19/98/74/573199874.db2.gz OHWAWCHJFVGGGT-IHWYPQMZSA-N 0 0 190.271 2.621 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CCCC(C)(C)C1 85894303 573199885 /nfs/dbraw/zinc/19/98/85/573199885.db2.gz SFLYUNSYQGWFKK-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CCC[C@](O)(C(C)(C)C#N)CC1 85895823 573199933 /nfs/dbraw/zinc/19/99/33/573199933.db2.gz ISUFYEPSQHJCLB-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1CC[C@](O)([C@](C)(C#N)CC)C1 85894502 573199940 /nfs/dbraw/zinc/19/99/40/573199940.db2.gz IYKCRBCKTVDJDJ-GRYCIOLGSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H]1CCC[C@](C#N)(C2(O)CCC2)C1 85898164 573199970 /nfs/dbraw/zinc/19/99/70/573199970.db2.gz IEWMJFURLSOBGD-QWRGUYRKSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@](O)(C1CC1)C1(C#N)CCCC1 85895241 573199975 /nfs/dbraw/zinc/19/99/75/573199975.db2.gz DMUBBLFQMICZRS-GFCCVEGCSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H]1CCC[C@]1(O)C1(C#N)CCCC1 85895493 573200022 /nfs/dbraw/zinc/20/00/22/573200022.db2.gz AKXFIDQXBKDDQN-CMPLNLGQSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H]1CC[C@](O)(C2(C#N)CCCC2)C1 85894396 573200029 /nfs/dbraw/zinc/20/00/29/573200029.db2.gz AOXDSWJCQAAVLQ-ZYHUDNBSSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H]1CC[C@](O)(C2(C#N)CCCC2)C1 85894398 573200047 /nfs/dbraw/zinc/20/00/47/573200047.db2.gz AOXDSWJCQAAVLQ-CMPLNLGQSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H]1CC[C@@](C#N)(C2(O)CCC2)C1 85898177 573200052 /nfs/dbraw/zinc/20/00/52/573200052.db2.gz PIJXDLRHEKDMCP-WDEREUQCSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H]1CC[C@@](O)(C(C)(C)C#N)[C@H](C)C1 85894973 573200062 /nfs/dbraw/zinc/20/00/62/573200062.db2.gz UDOKZFQSMZNHGU-FOGDFJRCSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1CCCC(=NNCC2CC2)C1 308304949 573200090 /nfs/dbraw/zinc/20/00/90/573200090.db2.gz NXXJLONZRSTGGR-VIFPVBQESA-N 0 0 180.295 2.552 10 30 AFEERN CC1CCC([C@H](O)C(C)(C)C#N)CC1 85896439 573200101 /nfs/dbraw/zinc/20/01/01/573200101.db2.gz GASKRHZXIJYYLF-ILDUYXDCSA-N 0 0 195.306 2.723 10 30 AFEERN CCc1nsc2sc(C#N)cc12 259367094 573200106 /nfs/dbraw/zinc/20/01/06/573200106.db2.gz NSFGPDJTGGNNSD-UHFFFAOYSA-N 0 0 194.284 2.792 10 30 AFEERN C=C(CC)[C@@H]1C[C@@H]1C 222882274 573200136 /nfs/dbraw/zinc/20/01/36/573200136.db2.gz CCMMGTDJBKKALB-YUMQZZPRSA-N 0 0 110.200 2.609 10 30 AFEERN C[C@H]1CCC[C@@]1(O)C1(C#N)CCCC1 85895497 573200171 /nfs/dbraw/zinc/20/01/71/573200171.db2.gz AKXFIDQXBKDDQN-JQWIXIFHSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H](C#N)[C@@]1(O)CCC[C@H](C)CC1 85895862 573200222 /nfs/dbraw/zinc/20/02/22/573200222.db2.gz KKPUHTWXVHKCMD-QJPTWQEYSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCCC[C@@H](C)NC(=O)CC 308304614 573200236 /nfs/dbraw/zinc/20/02/36/573200236.db2.gz NQTSQMFDGISQEL-SNVBAGLBSA-N 0 0 183.295 2.648 10 30 AFEERN CC[C@@H](C#N)[C@H](O)C1CCCCCC1 85896396 573200289 /nfs/dbraw/zinc/20/02/89/573200289.db2.gz SPDRZKACWKQOBC-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CC[C@H](C)[C@H](C)C1 85894822 573200327 /nfs/dbraw/zinc/20/03/27/573200327.db2.gz BFIASSXKGZHVSM-QCNOEVLYSA-N 0 0 195.306 2.723 10 30 AFEERN N#CC1(C2(O)CCC2)CCCCCC1 85898231 573200343 /nfs/dbraw/zinc/20/03/43/573200343.db2.gz OJYYHZLAPVUWGB-UHFFFAOYSA-N 0 0 193.290 2.766 10 30 AFEERN C[C@H](C#N)[C@]1(O)CCCC(C)(C)CC1 85895982 573200455 /nfs/dbraw/zinc/20/04/55/573200455.db2.gz PSKLRMDIDQGKTR-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@]1(O)C[C@H](C)CC[C@@H]1C 85895100 573200469 /nfs/dbraw/zinc/20/04/69/573200469.db2.gz BHTRGFZWEWVMTP-KXNHARMFSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)[C@@H]1CC(=O)C[C@@]1(C)CCC=O 238793804 573200482 /nfs/dbraw/zinc/20/04/82/573200482.db2.gz WDYZGWIZGUHEQI-NWDGAFQWSA-N 0 0 196.290 2.607 10 30 AFEERN N#Cc1nc(-c2cccs2)cs1 259369842 573200504 /nfs/dbraw/zinc/20/05/04/573200504.db2.gz VBRLKQCTUJMUFX-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN CC[C@H](C#N)[C@@]1(O)CCCC(C)(C)C1 85894310 573200594 /nfs/dbraw/zinc/20/05/94/573200594.db2.gz SFLYUNSYQGWFKK-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CCC[C@H]([C@H](O)C(C)(C)C#N)C1 85896500 573200686 /nfs/dbraw/zinc/20/06/86/573200686.db2.gz RKNGBFOHEMHBBX-VWYCJHECSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@](O)(C1CC1)C1(C#N)CCCC1 85895245 573200740 /nfs/dbraw/zinc/20/07/40/573200740.db2.gz DMUBBLFQMICZRS-LBPRGKRZSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H]1CC[C@@](O)(C2(C#N)CCCC2)C1 85894402 573200747 /nfs/dbraw/zinc/20/07/47/573200747.db2.gz AOXDSWJCQAAVLQ-PWSUYJOCSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H]1CCC[C@@](O)(C(C)(C)C#N)CC1 85895828 573200753 /nfs/dbraw/zinc/20/07/53/573200753.db2.gz ISUFYEPSQHJCLB-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCC(=O)[C@H](OC)c1ccccc1 158352326 573208526 /nfs/dbraw/zinc/20/85/26/573208526.db2.gz CDOYBBZAKPJCIO-GFCCVEGCSA-N 0 0 190.242 2.519 10 30 AFEERN C=C(C)c1ccc2c(c1)CCN2C 238313252 573208553 /nfs/dbraw/zinc/20/85/53/573208553.db2.gz NDJCAIKPRKNXGV-UHFFFAOYSA-N 0 0 173.259 2.712 10 30 AFEERN C=CCC[C@](C)(C#N)NC1CCCC1 132080214 573208653 /nfs/dbraw/zinc/20/86/53/573208653.db2.gz DCMDYKKZDUMZTI-GFCCVEGCSA-N 0 0 192.306 2.767 10 30 AFEERN CCc1ccc(C(C)C)c(C#N)c1O 257965003 573209121 /nfs/dbraw/zinc/20/91/21/573209121.db2.gz CEAOQAIIUBXDCW-UHFFFAOYSA-N 0 0 189.258 2.950 10 30 AFEERN C=C[C@H](C)Nc1cccc(C)c1C#N 235537211 573209262 /nfs/dbraw/zinc/20/92/62/573209262.db2.gz LCIZVMPKXQHLJA-JTQLQIEISA-N 0 0 186.258 2.853 10 30 AFEERN C=C1C[C@@]2(CC)CCCC(=O)[C@H]12 238313401 573209265 /nfs/dbraw/zinc/20/92/65/573209265.db2.gz HLQZTNIPMGHQEK-WDEREUQCSA-N 0 0 164.248 2.712 10 30 AFEERN CCC(C)(C)C=NNC1CCCC1 308308819 573213254 /nfs/dbraw/zinc/21/32/54/573213254.db2.gz PUTXOIHFACDOKD-UHFFFAOYSA-N 0 0 182.311 2.941 10 30 AFEERN CCO[C@@H]1C[C@H](C)CC[C@@H]1CC#N 259603586 573212639 /nfs/dbraw/zinc/21/26/39/573212639.db2.gz FJNUBCZLZKDMOU-GMTAPVOTSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@@H]1C[C@@H](C)CC[C@H]1CC#N 259603583 573212785 /nfs/dbraw/zinc/21/27/85/573212785.db2.gz FJNUBCZLZKDMOU-GARJFASQSA-N 0 0 181.279 2.741 10 30 AFEERN CCCCCNN=C1CC[C@@H](C)C1 393510549 573225408 /nfs/dbraw/zinc/22/54/08/573225408.db2.gz XWZRCHWFKQUZMH-SNVBAGLBSA-N 0 0 182.311 2.942 10 30 AFEERN C=CCC[C@@](C)(O)c1cnccc1C 132147344 573225485 /nfs/dbraw/zinc/22/54/85/573225485.db2.gz WMRMRPQITDAYQH-GFCCVEGCSA-N 0 0 191.274 2.564 10 30 AFEERN Cc1cccc([C@H](C)C=O)c1C 115862119 573224744 /nfs/dbraw/zinc/22/47/44/573224744.db2.gz GNEYVIZQCGXVEV-SECBINFHSA-N 0 0 162.232 2.606 10 30 AFEERN N#CC[C@@H]1CCO[C@H]2CCCCC[C@@H]21 259603142 573224836 /nfs/dbraw/zinc/22/48/36/573224836.db2.gz GGQLSPRWDRRYMI-UTUOFQBUSA-N 0 0 193.290 2.885 10 30 AFEERN CN[C@@H](S)c1ccc(C)c(C)c1C 259382746 573225055 /nfs/dbraw/zinc/22/50/55/573225055.db2.gz LYPIYYCYUASXMR-NSHDSACASA-N 0 0 195.331 2.760 10 30 AFEERN C[C@H]1C[C@@H](OCCC#N)CC[C@H]1C 82840696 573225174 /nfs/dbraw/zinc/22/51/74/573225174.db2.gz JMKCJXQCZJSEHC-VWYCJHECSA-N 0 0 181.279 2.741 10 30 AFEERN CC1(C)CCC[C@@]2(C[C@@H]2C=O)C1 258599608 573225726 /nfs/dbraw/zinc/22/57/26/573225726.db2.gz USIIBNFYQXGZSU-MWLCHTKSSA-N 0 0 166.264 2.792 10 30 AFEERN CC(C)[C@@H](C#N)CNc1cccs1 259038216 573225741 /nfs/dbraw/zinc/22/57/41/573225741.db2.gz RBAWWPDHGLVYTJ-VIFPVBQESA-N 0 0 194.303 2.956 10 30 AFEERN CC1(C)CCC[C@]2(C[C@H]2C=O)C1 258599612 573225779 /nfs/dbraw/zinc/22/57/79/573225779.db2.gz USIIBNFYQXGZSU-ONGXEEELSA-N 0 0 166.264 2.792 10 30 AFEERN CC(=O)C(C)(C)CC[C@H](C)C#N 238415150 573225798 /nfs/dbraw/zinc/22/57/98/573225798.db2.gz WVQNASJBPGTHSS-QMMMGPOBSA-N 0 0 167.252 2.541 10 30 AFEERN C=C(CC)COC(=O)[C@@H]1CC1(C)C 308312281 573225955 /nfs/dbraw/zinc/22/59/55/573225955.db2.gz SFJHLHKXGWVPDK-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN CC1CCC(N(CC#N)C(C)C)CC1 82848543 573229899 /nfs/dbraw/zinc/22/98/99/573229899.db2.gz WRCWZMXKVYPNAC-UHFFFAOYSA-N 0 0 194.322 2.799 10 30 AFEERN N#C[C@H]1c2cc(F)ccc2CC12CC2 259387036 573230026 /nfs/dbraw/zinc/23/00/26/573230026.db2.gz ACPLNWWENUQGFI-NSHDSACASA-N 0 0 187.217 2.769 10 30 AFEERN C=CCCCC(=O)N(C)[C@H](C)CC 308312809 573230095 /nfs/dbraw/zinc/23/00/95/573230095.db2.gz SLKOYRIEPHDTSG-SNVBAGLBSA-N 0 0 183.295 2.600 10 30 AFEERN CCC[C@H](CC#N)C(F)F 258599643 573230156 /nfs/dbraw/zinc/23/01/56/573230156.db2.gz USTZBVKZLIFFSQ-ZCFIWIBFSA-N 0 0 147.168 2.581 10 30 AFEERN CC(C)Cc1ccncc1CCC#N 259603875 573230172 /nfs/dbraw/zinc/23/01/72/573230172.db2.gz FNBCOYNPWBGSMW-UHFFFAOYSA-N 0 0 188.274 2.736 10 30 AFEERN Fc1ccc(NCS)cc1Cl 258599509 573230245 /nfs/dbraw/zinc/23/02/45/573230245.db2.gz HIXQEJHNHDHETP-UHFFFAOYSA-N 0 0 191.658 2.778 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H](C)[C@@H](C)CC 308313875 573230287 /nfs/dbraw/zinc/23/02/87/573230287.db2.gz TYSHJMHFSCODNW-GUBZILKMSA-N 0 0 184.279 2.786 10 30 AFEERN CC1(C)CCC[C@]2(C[C@@H]2C=O)C1 258598187 573230299 /nfs/dbraw/zinc/23/02/99/573230299.db2.gz USIIBNFYQXGZSU-KOLCDFICSA-N 0 0 166.264 2.792 10 30 AFEERN C=CCC[C@](C)(O)CC1CCOCC1 132180020 573236997 /nfs/dbraw/zinc/23/69/97/573236997.db2.gz ZRJLRKAWJMZVJC-LBPRGKRZSA-N 0 0 198.306 2.520 10 30 AFEERN C[C@@H]1CCC[C@H](OCCC[C@@H]2CO2)C1 308527078 573237028 /nfs/dbraw/zinc/23/70/28/573237028.db2.gz PLQKJHPKLOPLOI-GRYCIOLGSA-N 0 0 198.306 2.761 10 30 AFEERN C=C(C)C(=O)[C@@H]1CC[C@@H](C)C1 86023521 573237036 /nfs/dbraw/zinc/23/70/36/573237036.db2.gz OBVJXOKSABQPAG-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCC[C@@](C)(O)Cc1ccco1 132168153 573237151 /nfs/dbraw/zinc/23/71/51/573237151.db2.gz UEBQWUGRQQOOCN-LLVKDONJSA-N 0 0 180.247 2.539 10 30 AFEERN C=C(C)C(=O)[C@H]1CCC[C@H](C)C1 86022565 573237181 /nfs/dbraw/zinc/23/71/81/573237181.db2.gz UTGJTSNZICUBTH-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@@](C)(O)Cc1ccoc1 132185743 573237217 /nfs/dbraw/zinc/23/72/17/573237217.db2.gz NKYVRYGBFAOXBK-LLVKDONJSA-N 0 0 180.247 2.539 10 30 AFEERN Cc1ccc2c(c1C#N)SC(=O)C2 306590288 573237243 /nfs/dbraw/zinc/23/72/43/573237243.db2.gz ABHYDFMXQFKIIS-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=C(C)CCSc1nccc(C)n1 308323202 573237288 /nfs/dbraw/zinc/23/72/88/573237288.db2.gz CRUQRRIZBGXOOZ-UHFFFAOYSA-N 0 0 194.303 2.843 10 30 AFEERN CON=C/C=C/c1ccc(Cl)cc1 308323736 573237322 /nfs/dbraw/zinc/23/73/22/573237322.db2.gz DEHMJOBCSMAITO-SYFVKHAHSA-N 0 0 195.649 2.985 10 30 AFEERN C=C(C)C(=O)CC(C)(C)C 86022951 573237335 /nfs/dbraw/zinc/23/73/35/573237335.db2.gz ODPSLYSRYTWODF-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@@H](C)C(=O)CC1(C)CC1 715717288 573237336 /nfs/dbraw/zinc/23/73/36/573237336.db2.gz ZAUCNYWTGDEGLV-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@](C)(O)Cc1ccco1 132168321 573237413 /nfs/dbraw/zinc/23/74/13/573237413.db2.gz UEBQWUGRQQOOCN-NSHDSACASA-N 0 0 180.247 2.539 10 30 AFEERN C=C(C)C(=O)C1Cc2ccccc2C1 86023635 573237478 /nfs/dbraw/zinc/23/74/78/573237478.db2.gz PQVHYTYGRXJMMW-UHFFFAOYSA-N 0 0 186.254 2.547 10 30 AFEERN Cc1cc([C@H](S)N(C)C)ccc1F 259388814 573237505 /nfs/dbraw/zinc/23/75/05/573237505.db2.gz GWLOADYPEFXXSX-JTQLQIEISA-N 0 0 199.294 2.624 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCC[C@@H](C)C1 86022574 573237618 /nfs/dbraw/zinc/23/76/18/573237618.db2.gz UTGJTSNZICUBTH-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC(=O)[C@]1(OC)CCC[C@H](C)C1 159425216 573237661 /nfs/dbraw/zinc/23/76/61/573237661.db2.gz FPQIACCVBYEDBW-JQWIXIFHSA-N 0 0 196.290 2.727 10 30 AFEERN C=CC[C@H](C)C(=O)CC1(C)CC1 715717291 573239335 /nfs/dbraw/zinc/23/93/35/573239335.db2.gz ZAUCNYWTGDEGLV-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)Cc1cccc(C)c1 86022528 573239378 /nfs/dbraw/zinc/23/93/78/573239378.db2.gz UTNRAPMTMBTORU-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN C[C@@H]1CC[C@@H](C#N)[C@H](C)C1 82857516 573239514 /nfs/dbraw/zinc/23/95/14/573239514.db2.gz CJEPMQBTHZQLLU-HLTSFMKQSA-N 0 0 137.226 2.582 10 30 AFEERN CCc1cc2c(C#N)c(C)ccc2[nH]1 238314630 573239617 /nfs/dbraw/zinc/23/96/17/573239617.db2.gz DMGUCWNBWDQYHL-UHFFFAOYSA-N 0 0 184.242 2.910 10 30 AFEERN C[C@@H]1CCC[C@@H](OCCC[C@H]2CO2)C1 308527080 573239634 /nfs/dbraw/zinc/23/96/34/573239634.db2.gz PLQKJHPKLOPLOI-UTUOFQBUSA-N 0 0 198.306 2.761 10 30 AFEERN N#CCCC(=O)CC1CCCCC1 259388513 573239658 /nfs/dbraw/zinc/23/96/58/573239658.db2.gz AESXGDOIFMXXMD-UHFFFAOYSA-N 0 0 179.263 2.830 10 30 AFEERN C=C(C)C(=O)[C@H]1CC[C@H](CC)C1 86023562 573239739 /nfs/dbraw/zinc/23/97/39/573239739.db2.gz FYEKMGXEMCZWBH-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cccc([C@@]2(C)C[C@H]2C#N)c1 259042060 573239753 /nfs/dbraw/zinc/23/97/53/573239753.db2.gz TVPVEQZSTSZGNF-NWDGAFQWSA-N 0 0 171.243 2.796 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCc2ccccc21 86023642 573239828 /nfs/dbraw/zinc/23/98/28/573239828.db2.gz MUTWBVOQFWXVJV-GFCCVEGCSA-N 0 0 186.254 2.862 10 30 AFEERN Cc1cccc([C@@]2(C)C[C@@H]2C#N)c1 259042070 573239897 /nfs/dbraw/zinc/23/98/97/573239897.db2.gz TVPVEQZSTSZGNF-VXGBXAGGSA-N 0 0 171.243 2.796 10 30 AFEERN CCC(CC)CC=NNCC(F)F 308321993 573247319 /nfs/dbraw/zinc/24/73/19/573247319.db2.gz ZGANFDOQHKJYLD-UHFFFAOYSA-N 0 0 192.253 2.653 10 30 AFEERN CC(C)CCSCCS 116081159 573247362 /nfs/dbraw/zinc/24/73/62/573247362.db2.gz TUZUOXCNQDIRLC-UHFFFAOYSA-N 0 0 164.339 2.696 10 30 AFEERN CC[C@@H](C#N)C1(C(C)(C)C)COC1 259050000 573247428 /nfs/dbraw/zinc/24/74/28/573247428.db2.gz AOGPOUAJXOKYGI-VIFPVBQESA-N 0 0 181.279 2.599 10 30 AFEERN Cc1cc2ccc(CC=O)cc2s1 258246879 573247507 /nfs/dbraw/zinc/24/75/07/573247507.db2.gz XNXZIGYXKWCGOB-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN C[C@H]1C[C@H]1CN=Nc1ccccc1 308322800 573247631 /nfs/dbraw/zinc/24/76/31/573247631.db2.gz COXDLSPGMWBEQF-UWVGGRQHSA-N 0 0 174.247 2.740 10 30 AFEERN C=C[C@H](C)Oc1ccccc1F 82865132 573247649 /nfs/dbraw/zinc/24/76/49/573247649.db2.gz BCIJOWRVGREVOU-QMMMGPOBSA-N 0 0 166.195 2.779 10 30 AFEERN C=C(C)CNN=CC1CCCCC1 308322794 573247652 /nfs/dbraw/zinc/24/76/52/573247652.db2.gz COVYZXVKSJNXCE-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN CC[C@H](C)n1c(C#N)cnc1C(C)C 259393504 573251609 /nfs/dbraw/zinc/25/16/09/573251609.db2.gz PZVFFCDSIQDATC-VIFPVBQESA-N 0 0 191.278 2.849 10 30 AFEERN C=C(C)CSCc1nccc(C)n1 308326108 573251615 /nfs/dbraw/zinc/25/16/15/573251615.db2.gz GCJRSTWDGWIQNO-UHFFFAOYSA-N 0 0 194.303 2.594 10 30 AFEERN C=C(CCO)CCc1ccccc1 238636523 573251651 /nfs/dbraw/zinc/25/16/51/573251651.db2.gz FAXDXQVMELTYTE-UHFFFAOYSA-N 0 0 176.259 2.558 10 30 AFEERN Cc1cc(C)c2c(c1)CC[C@@H](C#N)N2 259393682 573251663 /nfs/dbraw/zinc/25/16/63/573251663.db2.gz AQUFGLNFRJQRMF-NSHDSACASA-N 0 0 186.258 2.554 10 30 AFEERN CCOc1cccc([C@@H](C)CC=O)c1 257979247 573251714 /nfs/dbraw/zinc/25/17/14/573251714.db2.gz DOGJTQPSXUOSNP-JTQLQIEISA-N 0 0 192.258 2.778 10 30 AFEERN N#Cc1c(F)cc2occc2c1F 257979035 573251738 /nfs/dbraw/zinc/25/17/38/573251738.db2.gz JKTYVFTYGCCVED-UHFFFAOYSA-N 0 0 179.125 2.583 10 30 AFEERN C=CCN(CC)c1ccncc1Cl 308358234 573251767 /nfs/dbraw/zinc/25/17/67/573251767.db2.gz LIJWUZMWEAFJIP-UHFFFAOYSA-N 0 0 196.681 2.747 10 30 AFEERN CCc1cc2ccc(C#N)c(F)c2[nH]1 238317775 573251921 /nfs/dbraw/zinc/25/19/21/573251921.db2.gz OBUYUMMZSGTBFW-UHFFFAOYSA-N 0 0 188.205 2.741 10 30 AFEERN CCc1cc2ccc(F)c(C#N)c2[nH]1 238318042 573252196 /nfs/dbraw/zinc/25/21/96/573252196.db2.gz JYJUTZSRRUGLMJ-UHFFFAOYSA-N 0 0 188.205 2.741 10 30 AFEERN CCc1cc2ccc(C#N)c(C)c2[nH]1 238317740 573252231 /nfs/dbraw/zinc/25/22/31/573252231.db2.gz BLXYXYMKOXIFIP-UHFFFAOYSA-N 0 0 184.242 2.910 10 30 AFEERN COc1ccc([C@H]2C[C@]2(C)C#N)cc1 259064004 573271196 /nfs/dbraw/zinc/27/11/96/573271196.db2.gz XCCGWIAXDJNDBM-VXGBXAGGSA-N 0 0 187.242 2.712 10 30 AFEERN C=C1CCC(COCC)CC1 142484246 573271274 /nfs/dbraw/zinc/27/12/74/573271274.db2.gz LJQWCHVIJIEBPD-UHFFFAOYSA-N 0 0 154.253 2.769 10 30 AFEERN CCCCCCCO[C@H](C)C#N 105685188 573271280 /nfs/dbraw/zinc/27/12/80/573271280.db2.gz MRBSHLUCONVWHC-SNVBAGLBSA-N 0 0 169.268 2.885 10 30 AFEERN O=C1CCCC2=C1[C@H]1CCCC[C@@H]1O2 105655789 573271575 /nfs/dbraw/zinc/27/15/75/573271575.db2.gz HIZIRXUBSWBAEY-WPRPVWTQSA-N 0 0 192.258 2.583 10 30 AFEERN C=CC[C@@H](C)C(=O)C(C)(C)F 715753937 573271750 /nfs/dbraw/zinc/27/17/50/573271750.db2.gz COKUSZDXBWNBIG-SSDOTTSWSA-N 0 0 158.216 2.516 10 30 AFEERN Cc1cccc2c1C[C@@H](CC=O)S2 258273912 573271751 /nfs/dbraw/zinc/27/17/51/573271751.db2.gz SUMJJWSDBYYBDV-SECBINFHSA-N 0 0 192.283 2.601 10 30 AFEERN C=C[C@@H]1CC[C@H](OC)[C@]1(C)CCC=O 308338054 573271756 /nfs/dbraw/zinc/27/17/56/573271756.db2.gz TWPXMKSQBUANRW-GRYCIOLGSA-N 0 0 196.290 2.583 10 30 AFEERN C=CCN(C)c1c(C)cc(O)cc1C 238329960 573271962 /nfs/dbraw/zinc/27/19/62/573271962.db2.gz OGDRMBUAYVGKLA-UHFFFAOYSA-N 0 0 191.274 2.631 10 30 AFEERN C=CCC/N=C(\C)c1ccccc1O 308338767 573271985 /nfs/dbraw/zinc/27/19/85/573271985.db2.gz VUIZIXKNLMFRCT-JLHYYAGUSA-N 0 0 189.258 2.777 10 30 AFEERN C=CC[C@H](C)C(=O)C(C)(C)F 715753939 573272069 /nfs/dbraw/zinc/27/20/69/573272069.db2.gz COKUSZDXBWNBIG-ZETCQYMHSA-N 0 0 158.216 2.516 10 30 AFEERN N#Cc1cncc2c1Cc1sccc1-2 74237995 573272240 /nfs/dbraw/zinc/27/22/40/573272240.db2.gz WCYSRHOSRUSSQO-UHFFFAOYSA-N 0 0 198.250 2.586 10 30 AFEERN C=C(C)CCOC(=O)CCC(F)F 308337274 573274072 /nfs/dbraw/zinc/27/40/72/573274072.db2.gz ORVVTGLTUPEPSQ-UHFFFAOYSA-N 0 0 192.205 2.541 10 30 AFEERN C=CC[C@@H](C)[C@@H](NN)C(C)(CC)CC 715750577 573274079 /nfs/dbraw/zinc/27/40/79/573274079.db2.gz VLCLABRCFXGCRC-GHMZBOCLSA-N 0 0 198.354 2.857 10 30 AFEERN O=C1CCCC2=C1[C@@H]1CCCC[C@@H]1O2 105655782 573274096 /nfs/dbraw/zinc/27/40/96/573274096.db2.gz HIZIRXUBSWBAEY-SCZZXKLOSA-N 0 0 192.258 2.583 10 30 AFEERN COc1ccc([C@@H]2C[C@]2(C)C#N)cc1 259064001 573273644 /nfs/dbraw/zinc/27/36/44/573273644.db2.gz XCCGWIAXDJNDBM-NWDGAFQWSA-N 0 0 187.242 2.712 10 30 AFEERN C=CC[C@@H](C)[C@H](NN)C(C)(CC)CC 715750578 573273651 /nfs/dbraw/zinc/27/36/51/573273651.db2.gz VLCLABRCFXGCRC-MNOVXSKESA-N 0 0 198.354 2.857 10 30 AFEERN C=C1CCc2c(C)cccc21 142454281 573273693 /nfs/dbraw/zinc/27/36/93/573273693.db2.gz VNVKFCNTIFCKQP-UHFFFAOYSA-N 0 0 144.217 2.954 10 30 AFEERN C=CC[C@@H](C)[C@@H]1CCCC1=O 715753958 573273725 /nfs/dbraw/zinc/27/37/25/573273725.db2.gz CPLKVTBXFLVHOY-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](C)[C@H](NN)C(C)(CC)CC 715750580 573273824 /nfs/dbraw/zinc/27/38/24/573273824.db2.gz VLCLABRCFXGCRC-QWRGUYRKSA-N 0 0 198.354 2.857 10 30 AFEERN CSc1ccc(CC#N)c(F)c1F 258270371 573273846 /nfs/dbraw/zinc/27/38/46/573273846.db2.gz ZDDSZFJBYVVLEQ-UHFFFAOYSA-N 0 0 199.225 2.753 10 30 AFEERN C=CC[C@@H](C)[C@H]1CCCC1=O 715753970 573273914 /nfs/dbraw/zinc/27/39/14/573273914.db2.gz CPLKVTBXFLVHOY-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](C)[C@@H]1CCCC1=O 715753968 573274234 /nfs/dbraw/zinc/27/42/34/573274234.db2.gz CPLKVTBXFLVHOY-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=COc1ccc(C#N)c(Cl)c1 306406582 573274543 /nfs/dbraw/zinc/27/45/43/573274543.db2.gz DNWKYVJUCRPAOW-UHFFFAOYSA-N 0 0 179.606 2.734 10 30 AFEERN COc1cc(F)c(C(C)C)cc1C#N 257987001 573274575 /nfs/dbraw/zinc/27/45/75/573274575.db2.gz FFIVYJFRSIHPLN-UHFFFAOYSA-N 0 0 193.221 2.829 10 30 AFEERN C=C[C@@](C)(CO)CCC[C@H](C)C#N 238431119 573274645 /nfs/dbraw/zinc/27/46/45/573274645.db2.gz VYJHGMNLGNYPOW-WDEREUQCSA-N 0 0 181.279 2.501 10 30 AFEERN Cc1cc(F)c([C@H](C)CC=O)cc1O 257989311 573274783 /nfs/dbraw/zinc/27/47/83/573274783.db2.gz FJVLXJWMIOKUPB-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN N#Cc1cc2c(F)c(O)ccc2s1 306880889 573274906 /nfs/dbraw/zinc/27/49/06/573274906.db2.gz GODLAUAECMKVLS-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN COc1ccc([C@H]2C[C@@]2(C)C#N)cc1 259063999 573276370 /nfs/dbraw/zinc/27/63/70/573276370.db2.gz XCCGWIAXDJNDBM-NEPJUHHUSA-N 0 0 187.242 2.712 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)[C@H]1C(=O)OCC 197261403 573276482 /nfs/dbraw/zinc/27/64/82/573276482.db2.gz HSBHAINSLMPXEP-GARJFASQSA-N 0 0 196.290 2.788 10 30 AFEERN Cc1cc(F)c([C@H](C)CC=O)cc1F 257991414 573276587 /nfs/dbraw/zinc/27/65/87/573276587.db2.gz FPWCDKJSEIIZEF-SSDOTTSWSA-N 0 0 198.212 2.966 10 30 AFEERN C=CC[C@@H](C)[C@@H](NN)C1CCCCC1 715756386 573276929 /nfs/dbraw/zinc/27/69/29/573276929.db2.gz ISHSXOOFDPTISN-ZYHUDNBSSA-N 0 0 196.338 2.611 10 30 AFEERN CC1CC(Nc2ccc(C#N)cc2)C1 135492044 573291606 /nfs/dbraw/zinc/29/16/06/573291606.db2.gz DODYWTZEIYNXAC-UHFFFAOYSA-N 0 0 186.258 2.769 10 30 AFEERN CC(C)C[C@H](C#N)C(C)(F)F 258622394 573291733 /nfs/dbraw/zinc/29/17/33/573291733.db2.gz WSQUTNSAGWUNFA-SSDOTTSWSA-N 0 0 161.195 2.827 10 30 AFEERN CC(C)C[C@@H](C#N)C(C)(F)F 258622397 573291863 /nfs/dbraw/zinc/29/18/63/573291863.db2.gz WSQUTNSAGWUNFA-ZETCQYMHSA-N 0 0 161.195 2.827 10 30 AFEERN C=CC[C@H](C)[C@@H](C)CC(C)=O 715758727 573291958 /nfs/dbraw/zinc/29/19/58/573291958.db2.gz SFWQNVJIDYLMRU-IUCAKERBSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)(S)c1ccc2[nH]cnc2c1 259071440 573294521 /nfs/dbraw/zinc/29/45/21/573294521.db2.gz CFVVJDRLJUKTLP-UHFFFAOYSA-N 0 0 192.287 2.728 10 30 AFEERN CCc1c(C#N)cc(Cl)cc1OC 257996571 573294744 /nfs/dbraw/zinc/29/47/44/573294744.db2.gz FZEIKSQGVNWGGO-UHFFFAOYSA-N 0 0 195.649 2.783 10 30 AFEERN C[C@H]1O[C@@H]1c1cn(C)c2ccccc12 259407711 573294774 /nfs/dbraw/zinc/29/47/74/573294774.db2.gz SMWZRZKZTZOGQH-PELKAZGASA-N 0 0 187.242 2.638 10 30 AFEERN CCCc1nc(CCC#N)sc1C 259071243 573294835 /nfs/dbraw/zinc/29/48/35/573294835.db2.gz CDUJQQVRDPWAMB-UHFFFAOYSA-N 0 0 194.303 2.860 10 30 AFEERN C=CC[C@H](C)[C@H](C)CC(C)=O 715758724 573296000 /nfs/dbraw/zinc/29/60/00/573296000.db2.gz SFWQNVJIDYLMRU-DTWKUNHWSA-N 0 0 154.253 2.814 10 30 AFEERN O=CCc1csc2cccc(F)c12 257998469 573296075 /nfs/dbraw/zinc/29/60/75/573296075.db2.gz BXHKZOZXXKNCIT-UHFFFAOYSA-N 0 0 194.230 2.782 10 30 AFEERN CC(C)c1c(Cl)ccnc1C#N 307040283 573298190 /nfs/dbraw/zinc/29/81/90/573298190.db2.gz IEPSDMWJRWQWNW-UHFFFAOYSA-N 0 0 180.638 2.730 10 30 AFEERN C[C@H](CC=O)c1cccc(CF)c1 257998909 573298271 /nfs/dbraw/zinc/29/82/71/573298271.db2.gz LQUKEOKRWBBMGE-SECBINFHSA-N 0 0 180.222 2.849 10 30 AFEERN Fc1ccc2c(CS)c[nH]c2c1 257999314 573298315 /nfs/dbraw/zinc/29/83/15/573298315.db2.gz KSKPURIJXUHZCO-UHFFFAOYSA-N 0 0 181.235 2.737 10 30 AFEERN CO[C@@H](C)[C@@H](CC#N)c1ccccc1 259605758 573298366 /nfs/dbraw/zinc/29/83/66/573298366.db2.gz GJOAMHWUSFQLRV-CMPLNLGQSA-N 0 0 189.258 2.719 10 30 AFEERN O=C1C=CCCC1=CNc1ccccc1 238640001 573298461 /nfs/dbraw/zinc/29/84/61/573298461.db2.gz JOOHHDXJHZEQES-ZHACJKMWSA-N 0 0 199.253 2.902 10 30 AFEERN C=CC[C@H](C)[C@@H](CC)C(C)=O 715759088 573298465 /nfs/dbraw/zinc/29/84/65/573298465.db2.gz UKZZGZUOFPHNDV-WCBMZHEXSA-N 0 0 154.253 2.814 10 30 AFEERN CO[C@H](C)[C@@H](CC#N)c1ccccc1 259605771 573298679 /nfs/dbraw/zinc/29/86/79/573298679.db2.gz GJOAMHWUSFQLRV-ZYHUDNBSSA-N 0 0 189.258 2.719 10 30 AFEERN C=CCC(C)(C)/C(C)=C\CO 223971592 573298776 /nfs/dbraw/zinc/29/87/76/573298776.db2.gz PEPIEPNIVGDNHP-TWGQIWQCSA-N 0 0 154.253 2.527 10 30 AFEERN CC[C@H](C)N[C@H](C#N)C1(CC)CCC1 686134486 573298896 /nfs/dbraw/zinc/29/88/96/573298896.db2.gz UILBBNXWJWJWQW-WDEREUQCSA-N 0 0 194.322 2.847 10 30 AFEERN CC#Cc1ccccc1Br 117999755 573299038 /nfs/dbraw/zinc/29/90/38/573299038.db2.gz DDBDGISGGBEWMJ-UHFFFAOYSA-N 0 0 195.059 2.821 10 30 AFEERN N#Cc1cccc(N[C@@H]2CC[C@H]3C[C@H]32)c1 308887502 573299040 /nfs/dbraw/zinc/29/90/40/573299040.db2.gz XEWZEAVZHYLIMO-CYZMBNFOSA-N 0 0 198.269 2.769 10 30 AFEERN C[C@@H](CC=O)c1cccc(CF)c1 257998912 573299136 /nfs/dbraw/zinc/29/91/36/573299136.db2.gz LQUKEOKRWBBMGE-VIFPVBQESA-N 0 0 180.222 2.849 10 30 AFEERN CC1(C)O[C@@H]1C1CCCCC1 259074232 573299216 /nfs/dbraw/zinc/29/92/16/573299216.db2.gz ARDHYESPIUPNKQ-SECBINFHSA-N 0 0 154.253 2.744 10 30 AFEERN CCc1cc(O)cc(CC)c1CC#N 238336084 573299219 /nfs/dbraw/zinc/29/92/19/573299219.db2.gz BBCSJWQWUQEDFO-UHFFFAOYSA-N 0 0 189.258 2.583 10 30 AFEERN C=CC[C@H](C)CC(=O)C1CC1 715760404 573299264 /nfs/dbraw/zinc/29/92/64/573299264.db2.gz YOSIIJZOPUALBA-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1c(N)c(C#N)cc2sccc12 306910614 573299468 /nfs/dbraw/zinc/29/94/68/573299468.db2.gz JCMSSUAQQCYJCZ-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=CC[C@@H](C)NOCc1ccccc1 197282372 573302188 /nfs/dbraw/zinc/30/21/88/573302188.db2.gz MLFMWQHBWJXMGK-LLVKDONJSA-N 0 0 191.274 2.672 10 30 AFEERN Cc1ncc(C#N)c2c1CCCCC2 74280387 573302204 /nfs/dbraw/zinc/30/22/04/573302204.db2.gz PQJCTEIZUAPOEW-UHFFFAOYSA-N 0 0 186.258 2.531 10 30 AFEERN CC(C)Cn1cc(C#N)c2ncccc21 259409265 573302300 /nfs/dbraw/zinc/30/23/00/573302300.db2.gz RGDWOSOSIHUEAC-UHFFFAOYSA-N 0 0 199.257 2.564 10 30 AFEERN Cc1ccc(-c2c(C)noc2C#N)cc1 259410222 573302427 /nfs/dbraw/zinc/30/24/27/573302427.db2.gz KJHGJVXRRIZAOO-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN N#C[C@H]1CCc2sccc2C12CC2 259605919 573302618 /nfs/dbraw/zinc/30/26/18/573302618.db2.gz GKZCBMBAUUTLQO-MRVPVSSYSA-N 0 0 189.283 2.866 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1ccccc1F 259075485 573303142 /nfs/dbraw/zinc/30/31/42/573303142.db2.gz YRRQCZPCRAFOLI-MWLCHTKSSA-N 0 0 175.206 2.843 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1ccccc1F 259075479 573303345 /nfs/dbraw/zinc/30/33/45/573303345.db2.gz YRRQCZPCRAFOLI-GXSJLCMTSA-N 0 0 175.206 2.843 10 30 AFEERN SCCCc1ccc2c(c1)CCN2 259076246 573303406 /nfs/dbraw/zinc/30/34/06/573303406.db2.gz CFBUNSMQJMWCQK-UHFFFAOYSA-N 0 0 193.315 2.517 10 30 AFEERN C[C@H](NN=CC1(C)CC1)C(C)(C)C 308342671 573303441 /nfs/dbraw/zinc/30/34/41/573303441.db2.gz RYFANDGCSYYQNO-VIFPVBQESA-N 0 0 182.311 2.797 10 30 AFEERN CC#CCCCCNc1cccnc1 308547178 573313932 /nfs/dbraw/zinc/31/39/32/573313932.db2.gz WBEQTFQXFCEUHX-UHFFFAOYSA-N 0 0 188.274 2.687 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@@H](CC)OCC 715770700 573313396 /nfs/dbraw/zinc/31/33/96/573313396.db2.gz CYLWBQJBQHMKSL-NXEZZACHSA-N 0 0 184.279 2.583 10 30 AFEERN COCc1ccccc1[C@H](C)CC=O 258001186 573313708 /nfs/dbraw/zinc/31/37/08/573313708.db2.gz GJJGYVCRMNYBBN-SNVBAGLBSA-N 0 0 192.258 2.526 10 30 AFEERN Cc1[nH]c2scc(C)c2c1C#N 74307876 573314591 /nfs/dbraw/zinc/31/45/91/573314591.db2.gz BYBDCIOCSPIXTR-UHFFFAOYSA-N 0 0 176.244 2.718 10 30 AFEERN CC1(C)CCC([C@H](O)CCC=O)CC1 308546517 573314596 /nfs/dbraw/zinc/31/45/96/573314596.db2.gz VWFSHPVXWJKTKC-LLVKDONJSA-N 0 0 198.306 2.543 10 30 AFEERN N#Cc1cc2scc(F)c2cc1O 306915730 573314710 /nfs/dbraw/zinc/31/47/10/573314710.db2.gz VPHNOJDKXUMJDL-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN Cc1cc(O)c2c(C#N)csc2c1 307053608 573314879 /nfs/dbraw/zinc/31/48/79/573314879.db2.gz QBMLUKMMMHEXFL-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=CC[C@H](C)C(=O)c1cscn1 715770699 573314971 /nfs/dbraw/zinc/31/49/71/573314971.db2.gz CUTYVSKZPSZAGH-ZETCQYMHSA-N 0 0 181.260 2.538 10 30 AFEERN Cc1cc(F)c(Cl)c(C#N)c1C 258003926 573324468 /nfs/dbraw/zinc/32/44/68/573324468.db2.gz GUUCQSUBDYZMMC-UHFFFAOYSA-N 0 0 183.613 2.968 10 30 AFEERN C=C[C@H](C)n1nc(CC)cc1CC 132635158 573324648 /nfs/dbraw/zinc/32/46/48/573324648.db2.gz ZIYVMKPMCBQMAF-VIFPVBQESA-N 0 0 178.279 2.755 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCC[C@@H]1C 308348548 573324687 /nfs/dbraw/zinc/32/46/87/573324687.db2.gz WZJQPTFJKMVANF-LPEHRKFASA-N 0 0 182.263 2.540 10 30 AFEERN CCO/C=C\C(=O)C1CCCCC1 208800281 573325683 /nfs/dbraw/zinc/32/56/83/573325683.db2.gz CNXLTSLLJADCJI-HJWRWDBZSA-N 0 0 182.263 2.686 10 30 AFEERN C=CC[C@H](C)C(=O)c1occc1C 715772007 573325721 /nfs/dbraw/zinc/32/57/21/573325721.db2.gz HWNMWMPIYXOYHV-QMMMGPOBSA-N 0 0 178.231 2.983 10 30 AFEERN C=C(Cl)Cn1nc(CC)cc1CC 132629916 573325808 /nfs/dbraw/zinc/32/58/08/573325808.db2.gz HNSOCIXKKDQKCE-UHFFFAOYSA-N 0 0 198.697 2.760 10 30 AFEERN COc1c(C#N)ccc2ccsc12 238343992 573326058 /nfs/dbraw/zinc/32/60/58/573326058.db2.gz RYWRQBKXPGOJRE-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN C=C(CC)Cn1nc(CC)cc1CC 132633392 573326094 /nfs/dbraw/zinc/32/60/94/573326094.db2.gz UGJFEWHOQQLSTM-UHFFFAOYSA-N 0 0 192.306 2.974 10 30 AFEERN O=C1C=C2CCC=CCC[C@@H]2C1 238644747 573326140 /nfs/dbraw/zinc/32/61/40/573326140.db2.gz ULELPURWUOUABE-SNVBAGLBSA-N 0 0 162.232 2.632 10 30 AFEERN C#CC(=O)c1ccc(F)c2ccccc12 236157644 573326198 /nfs/dbraw/zinc/32/61/98/573326198.db2.gz LUIIMSGVDVGNAD-UHFFFAOYSA-N 0 0 198.196 2.795 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CCC[C@@H]1C 308348546 573326396 /nfs/dbraw/zinc/32/63/96/573326396.db2.gz WZJQPTFJKMVANF-GUBZILKMSA-N 0 0 182.263 2.540 10 30 AFEERN C=CCc1c(C)cc(C=O)cc1C 117147642 573326504 /nfs/dbraw/zinc/32/65/04/573326504.db2.gz RAHDPCQINNHHQF-UHFFFAOYSA-N 0 0 174.243 2.844 10 30 AFEERN CCc1cc(SC)ccc1C#N 238343210 573326516 /nfs/dbraw/zinc/32/65/16/573326516.db2.gz XOQXOGHKGIEJJV-UHFFFAOYSA-N 0 0 177.272 2.843 10 30 AFEERN C=C[C@@H](C)n1nc(CC)cc1CC 132635344 573326637 /nfs/dbraw/zinc/32/66/37/573326637.db2.gz ZIYVMKPMCBQMAF-SECBINFHSA-N 0 0 178.279 2.755 10 30 AFEERN CC(C)c1cccc(C[C@@H]2CO2)c1 231451552 573326838 /nfs/dbraw/zinc/32/68/38/573326838.db2.gz XCPLSRDMPYGHBB-GFCCVEGCSA-N 0 0 176.259 2.751 10 30 AFEERN Cc1ccc(C(C)(F)F)c(C#N)c1 258002695 573326868 /nfs/dbraw/zinc/32/68/68/573326868.db2.gz MAVHEQIKZXWPIT-UHFFFAOYSA-N 0 0 181.185 2.978 10 30 AFEERN N#C[C@@H](c1ncc[nH]1)C1CCCCC1 259084929 573326870 /nfs/dbraw/zinc/32/68/70/573326870.db2.gz IPCIVNWSLLODOE-SNVBAGLBSA-N 0 0 189.262 2.597 10 30 AFEERN C=CC[C@@H](C)C(=O)c1occc1C 715772005 573326971 /nfs/dbraw/zinc/32/69/71/573326971.db2.gz HWNMWMPIYXOYHV-MRVPVSSYSA-N 0 0 178.231 2.983 10 30 AFEERN C=C1C[C@@H]2CCC[C@](C)(C1)C2=O 197312764 573327015 /nfs/dbraw/zinc/32/70/15/573327015.db2.gz XLYXOMONUILGFQ-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)CC(=O)Nc1ccccc1 145541531 573327035 /nfs/dbraw/zinc/32/70/35/573327035.db2.gz MMHHCUWYNJYNNZ-FPLPWBNLSA-N 0 0 177.203 2.736 10 30 AFEERN CC#CCCSCC1CCOCC1 308349250 573328532 /nfs/dbraw/zinc/32/85/32/573328532.db2.gz XNUUQTUGTYGYMI-UHFFFAOYSA-N 0 0 198.331 2.560 10 30 AFEERN CC(=O)[C@@H](C#N)c1ccc(Cl)s1 106877480 573328779 /nfs/dbraw/zinc/32/87/79/573328779.db2.gz RBNMYXLJZWVCFE-ZCFIWIBFSA-N 0 0 199.662 2.598 10 30 AFEERN O=CCC1(c2cc(F)cc(F)c2)CC1 117259924 573328822 /nfs/dbraw/zinc/32/88/22/573328822.db2.gz YYKOUDCZYYZTLX-UHFFFAOYSA-N 0 0 196.196 2.585 10 30 AFEERN CCc1cc(C#N)cc(SC)c1 238343016 573328848 /nfs/dbraw/zinc/32/88/48/573328848.db2.gz SVPJSEUXJIWCIH-UHFFFAOYSA-N 0 0 177.272 2.843 10 30 AFEERN C=CC[C@H](C)C(=O)[C@@](C)(CC)OC 715773217 573329149 /nfs/dbraw/zinc/32/91/49/573329149.db2.gz LECNOWZDMOMOQZ-GXSJLCMTSA-N 0 0 184.279 2.583 10 30 AFEERN CCc1ccc(OC)c([C@@H]2O[C@@H]2C)c1 258630632 573329316 /nfs/dbraw/zinc/32/93/16/573329316.db2.gz CCAFKAJFXSSMOF-PRHODGIISA-N 0 0 192.258 2.717 10 30 AFEERN C=CC(=O)[C@@]1(OCC)CCC[C@@H](C)C1 159453033 573329512 /nfs/dbraw/zinc/32/95/12/573329512.db2.gz SBVXLWGAQFEAGD-ZYHUDNBSSA-N 0 0 196.290 2.727 10 30 AFEERN C=CC(=O)[C@]1(OCC)CCC[C@H](C)C1 159452915 573329601 /nfs/dbraw/zinc/32/96/01/573329601.db2.gz SBVXLWGAQFEAGD-JQWIXIFHSA-N 0 0 196.290 2.727 10 30 AFEERN C=C1CCc2cc(C)ccc2C1=O 143587571 573329646 /nfs/dbraw/zinc/32/96/46/573329646.db2.gz AYBXRVFUDBHSGY-UHFFFAOYSA-N 0 0 172.227 2.680 10 30 AFEERN CCCCCC[C@]1(C#N)CCCCN1 308550529 573329862 /nfs/dbraw/zinc/32/98/62/573329862.db2.gz ROLGAEMQBFRWHV-GFCCVEGCSA-N 0 0 194.322 2.993 10 30 AFEERN CC(C)(C#N)c1ccc([S-])cc1 143587391 573329892 /nfs/dbraw/zinc/32/98/92/573329892.db2.gz WCIYCPXDOZNSED-UHFFFAOYSA-N 0 0 177.272 2.776 10 30 AFEERN Cc1ccc(CC#N)c(C)c1C 117220529 573329935 /nfs/dbraw/zinc/32/99/35/573329935.db2.gz GSBAWTQJMFJVSW-UHFFFAOYSA-N 0 0 159.232 2.678 10 30 AFEERN C=C[C@@H](/C=C\C)NC(=O)OC(C)(C)C 308348943 573329978 /nfs/dbraw/zinc/32/99/78/573329978.db2.gz SHZZUGFCIJQAGN-XZLDQRQTSA-N 0 0 197.278 2.642 10 30 AFEERN CC(=O)[C@H](C#N)c1ccc(Cl)s1 106877482 573329983 /nfs/dbraw/zinc/32/99/83/573329983.db2.gz RBNMYXLJZWVCFE-LURJTMIESA-N 0 0 199.662 2.598 10 30 AFEERN Cc1cccc(-c2cc(C#N)ccn2)c1 259085809 573330078 /nfs/dbraw/zinc/33/00/78/573330078.db2.gz DDRNSNAXFAZFHO-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN N#C[C@@H]1CCCO[C@@H]1[C@H]1CC=CCC1 86245185 573331236 /nfs/dbraw/zinc/33/12/36/573331236.db2.gz NFMLBBZILKUQKY-SDDRHHMPSA-N 0 0 191.274 2.661 10 30 AFEERN O=CC/C=C\Cc1ccccc1F 258002957 573331279 /nfs/dbraw/zinc/33/12/79/573331279.db2.gz ANRVNAYWHCZAQU-UPHRSURJSA-N 0 0 178.206 2.513 10 30 AFEERN CCC(CC)[C@H]1OCCC[C@H]1C#N 86245178 573331305 /nfs/dbraw/zinc/33/13/05/573331305.db2.gz FTHXSJDZLJEODQ-WDEREUQCSA-N 0 0 181.279 2.741 10 30 AFEERN N#Cc1ccn2ccc(C3CC3)cc12 306912496 573331400 /nfs/dbraw/zinc/33/14/00/573331400.db2.gz MUTUAZKGCSSPGE-UHFFFAOYSA-N 0 0 182.226 2.688 10 30 AFEERN N#Cc1cnc2cc(Cl)sc2c1 258002881 573331488 /nfs/dbraw/zinc/33/14/88/573331488.db2.gz MEISCQQQVHJYDV-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN CCOc1ccc([C@@H]2O[C@@H]2C)cc1F 259419850 573331489 /nfs/dbraw/zinc/33/14/89/573331489.db2.gz TZHMVFSGNIPCPB-RDDDGLTNSA-N 0 0 196.221 2.684 10 30 AFEERN CCc1ccc(CC#N)c(C)c1 238358770 573331512 /nfs/dbraw/zinc/33/15/12/573331512.db2.gz QUBRTDPKFXLWEA-UHFFFAOYSA-N 0 0 159.232 2.624 10 30 AFEERN N#C[C@@H]1CCO[C@@H]1C1CCCCCC1 86245110 573331578 /nfs/dbraw/zinc/33/15/78/573331578.db2.gz KYHDBMJAJRULII-NWDGAFQWSA-N 0 0 193.290 2.885 10 30 AFEERN C[C@@H]1CCCC[C@H]1OCCC[C@@H]1CO1 308549658 573331673 /nfs/dbraw/zinc/33/16/73/573331673.db2.gz XCZNMGZXYSOLAI-IJLUTSLNSA-N 0 0 198.306 2.761 10 30 AFEERN C1CCC(COCCC[C@H]2CO2)CC1 308550247 573331680 /nfs/dbraw/zinc/33/16/80/573331680.db2.gz XFZFMCZDEPOFAS-LBPRGKRZSA-N 0 0 198.306 2.762 10 30 AFEERN C[C@@H]1CCCC[C@H]1OCCC[C@H]1CO1 308549657 573331695 /nfs/dbraw/zinc/33/16/95/573331695.db2.gz XCZNMGZXYSOLAI-GRYCIOLGSA-N 0 0 198.306 2.761 10 30 AFEERN Cc1csc2occ(C#N)c12 74340952 573331781 /nfs/dbraw/zinc/33/17/81/573331781.db2.gz LNXNPLFJPJERJA-UHFFFAOYSA-N 0 0 163.201 2.674 10 30 AFEERN C[C@@H]1CCCC[C@@H]1OCCC[C@H]1CO1 308549660 573331856 /nfs/dbraw/zinc/33/18/56/573331856.db2.gz XCZNMGZXYSOLAI-WOPDTQHZSA-N 0 0 198.306 2.761 10 30 AFEERN CCC(CC)[C@H]1OCCC[C@@H]1C#N 86245180 573331882 /nfs/dbraw/zinc/33/18/82/573331882.db2.gz FTHXSJDZLJEODQ-GHMZBOCLSA-N 0 0 181.279 2.741 10 30 AFEERN CCc1ccc(OC)c([C@H]2O[C@@H]2C)c1 258630631 573334492 /nfs/dbraw/zinc/33/44/92/573334492.db2.gz CCAFKAJFXSSMOF-PELKAZGASA-N 0 0 192.258 2.717 10 30 AFEERN C[C@@H]1CCC[C@H]([C@H]2OCC[C@H]2C#N)C1 86245158 573334497 /nfs/dbraw/zinc/33/44/97/573334497.db2.gz LRABNRSVKWLHKS-NOOOWODRSA-N 0 0 193.290 2.741 10 30 AFEERN CC1CCC([C@H]2OCC[C@@H]2C#N)CC1 86245140 573334559 /nfs/dbraw/zinc/33/45/59/573334559.db2.gz LEKQSAQSZZBESG-KIDURHIOSA-N 0 0 193.290 2.741 10 30 AFEERN CCC(CC)[C@@H]1OCCC[C@@H]1C#N 86245181 573334594 /nfs/dbraw/zinc/33/45/94/573334594.db2.gz FTHXSJDZLJEODQ-MNOVXSKESA-N 0 0 181.279 2.741 10 30 AFEERN N#C[C@H]1CCCO[C@H]1C1CCCCC1 86245241 573334713 /nfs/dbraw/zinc/33/47/13/573334713.db2.gz PVIFFFIMBHKBFL-NEPJUHHUSA-N 0 0 193.290 2.885 10 30 AFEERN CC(C)[C@H]1C=CC(=O)CC1(C)C 143638838 573334742 /nfs/dbraw/zinc/33/47/42/573334742.db2.gz CDSSCRLSMRKFCJ-SNVBAGLBSA-N 0 0 166.264 2.814 10 30 AFEERN N#CCc1cc2c3c(ccn3CCC2)c1 259421932 573334772 /nfs/dbraw/zinc/33/47/72/573334772.db2.gz LIGSJPIZAHLIOC-UHFFFAOYSA-N 0 0 196.253 2.654 10 30 AFEERN CC[C@H](C)c1ccc([C@H](N)C#N)cc1 259087654 573334799 /nfs/dbraw/zinc/33/47/99/573334799.db2.gz OVCRBXYBKXJUKS-JOYOIKCWSA-N 0 0 188.274 2.723 10 30 AFEERN N#Cc1c(O)ccc2cc(F)sc12 306614074 573338015 /nfs/dbraw/zinc/33/80/15/573338015.db2.gz OIJNRKFBIXVOLI-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN N#Cc1cc(F)c2c(c1)SC(=O)C2 306616946 573338357 /nfs/dbraw/zinc/33/83/57/573338357.db2.gz QNWCANMEFQWEDB-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN Cc1cccc(C)c1NCS 258635376 573342124 /nfs/dbraw/zinc/34/21/24/573342124.db2.gz LEOADVUHJLRPDM-UHFFFAOYSA-N 0 0 167.277 2.603 10 30 AFEERN C=C(CC=O)C[C@@H]1CCCSC1 258290124 573342414 /nfs/dbraw/zinc/34/24/14/573342414.db2.gz TWJCZXFBWFYYJH-JTQLQIEISA-N 0 0 184.304 2.665 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H](C)C(C)C 308350536 573342588 /nfs/dbraw/zinc/34/25/88/573342588.db2.gz XZVIQZIXTGKWRW-UWVGGRQHSA-N 0 0 184.279 2.786 10 30 AFEERN Cc1ccc(-c2csc(C#N)n2)o1 259423084 573342680 /nfs/dbraw/zinc/34/26/80/573342680.db2.gz YLXQRJMDZVFZNN-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C=CC[C@@H](C)CC(=O)C[C@H](O)CCC 215168828 573347864 /nfs/dbraw/zinc/34/78/64/573347864.db2.gz PIPZLJSZLYYLBT-GHMZBOCLSA-N 0 0 198.306 2.709 10 30 AFEERN CCC[C@](O)(C1CC1)C1(C#N)CCC1 308557114 573347156 /nfs/dbraw/zinc/34/71/56/573347156.db2.gz SZVZOFBIFZGVKG-LBPRGKRZSA-N 0 0 193.290 2.621 10 30 AFEERN CCC[C@@](O)(C1CC1)C1(C#N)CCC1 308557112 573347165 /nfs/dbraw/zinc/34/71/65/573347165.db2.gz SZVZOFBIFZGVKG-GFCCVEGCSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H](C#N)CNc1ccc(C)cc1 258635253 573347283 /nfs/dbraw/zinc/34/72/83/573347283.db2.gz LCYCXSYBVCSRMW-LLVKDONJSA-N 0 0 188.274 2.957 10 30 AFEERN O=CC1(c2ccc(Cl)cc2F)CC1 107087693 573347306 /nfs/dbraw/zinc/34/73/06/573347306.db2.gz GTKOAFLCAUKVLX-UHFFFAOYSA-N 0 0 198.624 2.710 10 30 AFEERN CC1=CC(=O)CC(C)(C)[C@@H]1C 143686187 573347405 /nfs/dbraw/zinc/34/74/05/573347405.db2.gz JLZFYMOPHWAASQ-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc(C)c(NCS)c1 258635288 573347771 /nfs/dbraw/zinc/34/77/71/573347771.db2.gz LDCSZTQGCDQTIB-UHFFFAOYSA-N 0 0 167.277 2.603 10 30 AFEERN O=CC1(c2cccc(F)c2F)CCC1 107087632 573348295 /nfs/dbraw/zinc/34/82/95/573348295.db2.gz KMZOEDIBVYFDKX-UHFFFAOYSA-N 0 0 196.196 2.585 10 30 AFEERN C=C[C@H](C)C#C[C@H](O)c1ccccc1 238368432 573357373 /nfs/dbraw/zinc/35/73/73/573357373.db2.gz GYGRQCZPOQOMEO-AAEUAGOBSA-N 0 0 186.254 2.546 10 30 AFEERN Cc1ccc(C#N)c(NC2(C)CC2)c1 135572632 573357627 /nfs/dbraw/zinc/35/76/27/573357627.db2.gz YATNOEUACIQICZ-UHFFFAOYSA-N 0 0 186.258 2.831 10 30 AFEERN CC(C)[C@](C)(C#N)c1ccc(C#N)cc1 259427171 573357763 /nfs/dbraw/zinc/35/77/63/573357763.db2.gz DHRLWWBQDCJZAF-ZDUSSCGKSA-N 0 0 198.269 2.996 10 30 AFEERN CCCCCC[C@H]1C[C@H]1C=O 39062586 573357816 /nfs/dbraw/zinc/35/78/16/573357816.db2.gz KUARKXUORYRPPP-UWVGGRQHSA-N 0 0 154.253 2.792 10 30 AFEERN N#Cc1csc2ccc(F)c([O-])c12 307088448 573357822 /nfs/dbraw/zinc/35/78/22/573357822.db2.gz MYIMADMJIJARGE-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN COCC[C@H](C)[C@@]1(C#N)CC[C@H](C)C1 308562863 573361655 /nfs/dbraw/zinc/36/16/55/573361655.db2.gz XCTZCKPYSGGUTK-SRVKXCTJSA-N 0 0 195.306 2.989 10 30 AFEERN COCC[C@H](C)[C@@]1(C#N)CC[C@@H](C)C1 308562865 573361940 /nfs/dbraw/zinc/36/19/40/573361940.db2.gz XCTZCKPYSGGUTK-WOPDTQHZSA-N 0 0 195.306 2.989 10 30 AFEERN C=CCC1=CCCC1 78138485 573362126 /nfs/dbraw/zinc/36/21/26/573362126.db2.gz PHBGIFRCMRLXFK-UHFFFAOYSA-N 0 0 108.184 2.673 10 30 AFEERN Cc1ccc([C@H](C)CC=O)c(F)c1 258007933 573366109 /nfs/dbraw/zinc/36/61/09/573366109.db2.gz MOUMLWIZSPFNQP-SECBINFHSA-N 0 0 180.222 2.827 10 30 AFEERN CCC[C@H](C#N)[C@]1(O)CCC[C@H](C)C1 86326314 573366114 /nfs/dbraw/zinc/36/61/14/573366114.db2.gz JIZYNTUYEMFRGW-TUAOUCFPSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)c1ccc2[nH]cnc2c1 259429125 573366289 /nfs/dbraw/zinc/36/62/89/573366289.db2.gz YXPPFCUGLPEALS-MRVPVSSYSA-N 0 0 185.230 2.580 10 30 AFEERN CCCCCNN=C1CCC[C@H]1C 308368861 573366637 /nfs/dbraw/zinc/36/66/37/573366637.db2.gz PHYJVEPCSHPQGQ-SNVBAGLBSA-N 0 0 182.311 2.942 10 30 AFEERN CCC[C@@H](C#N)C1(O)CCCCC1 86326308 573366658 /nfs/dbraw/zinc/36/66/58/573366658.db2.gz CVCCJGYPPHFLLS-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN C#Cc1ccc(Br)cc1C 117807835 573370005 /nfs/dbraw/zinc/37/00/05/573370005.db2.gz QYKVJHHRTZBACO-UHFFFAOYSA-N 0 0 195.059 2.739 10 30 AFEERN Cc1ccc(CC#N)c2c1CCCC2 258013954 573370503 /nfs/dbraw/zinc/37/05/03/573370503.db2.gz HORMOSSWEFHDPH-UHFFFAOYSA-N 0 0 185.270 2.940 10 30 AFEERN C=CC[C@H](C)C(=O)c1cccc(C)n1 715785186 573370547 /nfs/dbraw/zinc/37/05/47/573370547.db2.gz CSKJUJHJZYKHRE-VIFPVBQESA-N 0 0 189.258 2.785 10 30 AFEERN C=C(CC=O)C[C@H]1CCCCS1 258325760 573370557 /nfs/dbraw/zinc/37/05/57/573370557.db2.gz WLSUOSIOXNBXRR-SNVBAGLBSA-N 0 0 184.304 2.807 10 30 AFEERN C[C@@H](CCC=O)[C@H]1CC[C@](C)(O)CC1 308365680 573370678 /nfs/dbraw/zinc/37/06/78/573370678.db2.gz JDYVKNVJHUONOV-SRVKXCTJSA-N 0 0 198.306 2.543 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@]1(C)CCCCO1 715784926 573370763 /nfs/dbraw/zinc/37/07/63/573370763.db2.gz BKMNKXMMIWTNSD-PWSUYJOCSA-N 0 0 196.290 2.727 10 30 AFEERN C=CC[C@@H](C)C(C)=NN[C@@H](C)CC 308367121 573370912 /nfs/dbraw/zinc/37/09/12/573370912.db2.gz ONXUCGHXZGMYLB-ZJUUUORDSA-N 0 0 182.311 2.963 10 30 AFEERN C[C@H](S)C(C)(C)c1cccc(N)c1 258014914 573371189 /nfs/dbraw/zinc/37/11/89/573371189.db2.gz HLZZRDUHZNBOBP-QMMMGPOBSA-N 0 0 195.331 2.865 10 30 AFEERN Cc1cc(F)cc([C@@H](C)CC=O)c1 258015900 573371438 /nfs/dbraw/zinc/37/14/38/573371438.db2.gz NOJSYQFIIBBBLG-VIFPVBQESA-N 0 0 180.222 2.827 10 30 AFEERN CCC(C=NNC[C@@H]1C[C@@H]1C)CC 308377437 573378802 /nfs/dbraw/zinc/37/88/02/573378802.db2.gz SXAAXTWXAZWQLG-ONGXEEELSA-N 0 0 182.311 2.654 10 30 AFEERN Cc1cc2c(CCC=O)cccc2o1 258016860 573378813 /nfs/dbraw/zinc/37/88/13/573378813.db2.gz HWNHQZMEAUTOEW-UHFFFAOYSA-N 0 0 188.226 2.873 10 30 AFEERN C=CC[C@@H](C)N(C)C1(C#N)CCCC1 715788981 573379023 /nfs/dbraw/zinc/37/90/23/573379023.db2.gz TUSPCOHJAHDKJN-LLVKDONJSA-N 0 0 192.306 2.719 10 30 AFEERN C=C[C@H](OC)c1cc(C)ccc1O 238373320 573379094 /nfs/dbraw/zinc/37/90/94/573379094.db2.gz ZCFWPIJECKMASR-NSHDSACASA-N 0 0 178.231 2.574 10 30 AFEERN C=C(C)[C@H](C)OC(=O)/C(C)=C/CC 308371403 573379156 /nfs/dbraw/zinc/37/91/56/573379156.db2.gz QJRQKICQROYJIU-PCYYEKQGSA-N 0 0 182.263 2.851 10 30 AFEERN CC[C@@H](C=O)CC(C)(C)C 107156944 573379186 /nfs/dbraw/zinc/37/91/86/573379186.db2.gz QOLQMQSXJCOZAU-MRVPVSSYSA-N 0 0 142.242 2.648 10 30 AFEERN CCCCCNN=CCCC1CC1 308371818 573379195 /nfs/dbraw/zinc/37/91/95/573379195.db2.gz QMAYIVVQGDCDAI-UHFFFAOYSA-N 0 0 182.311 2.942 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)/C(C)=C/CC 308371412 573379216 /nfs/dbraw/zinc/37/92/16/573379216.db2.gz QJRQKICQROYJIU-TTZKWOQHSA-N 0 0 182.263 2.851 10 30 AFEERN CC[C@H](CC=O)CC(C)C 107156938 573379353 /nfs/dbraw/zinc/37/93/53/573379353.db2.gz RWBMIXCNOIIJQL-SECBINFHSA-N 0 0 142.242 2.648 10 30 AFEERN C[C@@H](C=O)CCC(C)(C)C 107156916 573379364 /nfs/dbraw/zinc/37/93/64/573379364.db2.gz DQQOESGZHRAMSL-MRVPVSSYSA-N 0 0 142.242 2.648 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)/C(C)=C\CC 308371417 573379585 /nfs/dbraw/zinc/37/95/85/573379585.db2.gz QJRQKICQROYJIU-UJICNMFASA-N 0 0 182.263 2.851 10 30 AFEERN CCC(C=NNC[C@H]1C[C@@H]1C)CC 308377432 573379606 /nfs/dbraw/zinc/37/96/06/573379606.db2.gz SXAAXTWXAZWQLG-GXSJLCMTSA-N 0 0 182.311 2.654 10 30 AFEERN C=C[C@H](C)[C@@]1(C)C=CC=C(C)C1=O 238372443 573379669 /nfs/dbraw/zinc/37/96/69/573379669.db2.gz FVIULRASMZPQLW-CMPLNLGQSA-N 0 0 176.259 2.900 10 30 AFEERN Cc1c[nH]c2ccc(CCS)cc12 259093456 573379783 /nfs/dbraw/zinc/37/97/83/573379783.db2.gz DUBYITYPPSSHGU-UHFFFAOYSA-N 0 0 191.299 2.949 10 30 AFEERN CC[C@H](C=O)CC(C)(C)C 107156941 573379852 /nfs/dbraw/zinc/37/98/52/573379852.db2.gz QOLQMQSXJCOZAU-QMMMGPOBSA-N 0 0 142.242 2.648 10 30 AFEERN Cc1c(C#N)sc2cc(C#N)ccc12 306624744 573379982 /nfs/dbraw/zinc/37/99/82/573379982.db2.gz XQIJXQVWIWWABU-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C=C[C@H](C)[C@H](C=O)C(C)(C)C 238372825 573380061 /nfs/dbraw/zinc/38/00/61/573380061.db2.gz GOCVXHIZXKMJDZ-IUCAKERBSA-N 0 0 154.253 2.670 10 30 AFEERN Cc1cc(C#N)c(Cl)nc1C1CC1 83056902 573384472 /nfs/dbraw/zinc/38/44/72/573384472.db2.gz WAMKEEJJYKPLLJ-UHFFFAOYSA-N 0 0 192.649 2.793 10 30 AFEERN C=C[C@H](C)[C@@]1(C)C=CC(=O)CC1 238375016 573384479 /nfs/dbraw/zinc/38/44/79/573384479.db2.gz YNWKZASLXINEOV-ONGXEEELSA-N 0 0 164.248 2.734 10 30 AFEERN CO[C@](C)(C#CC(F)F)CC(C)C 238374792 573383916 /nfs/dbraw/zinc/38/39/16/573383916.db2.gz AFEKKPBDPBDVOD-SNVBAGLBSA-N 0 0 190.233 2.706 10 30 AFEERN CCC(CC)/N=C/c1ccccc1O 308372659 573383970 /nfs/dbraw/zinc/38/39/70/573383970.db2.gz UATWQMZQDBNVEX-UKTHLTGXSA-N 0 0 191.274 3.000 10 30 AFEERN C=C[C@H](C)[C@H](O)c1ccccc1C 238374222 573384036 /nfs/dbraw/zinc/38/40/36/573384036.db2.gz GWDZAYJFYWZALN-CABZTGNLSA-N 0 0 176.259 2.851 10 30 AFEERN CC(C)(C)C[C@@H](C=O)C1CC1 107158193 573384128 /nfs/dbraw/zinc/38/41/28/573384128.db2.gz BVDPIPUQDQUDLZ-VIFPVBQESA-N 0 0 154.253 2.648 10 30 AFEERN CC[C@@H](C=O)C1CCCCC1 107158198 573384259 /nfs/dbraw/zinc/38/42/59/573384259.db2.gz XIHMKRWZCFAKIF-VIFPVBQESA-N 0 0 154.253 2.792 10 30 AFEERN C=C[C@H](C)[C@]1(C)C=CC=C(C)C1=O 238374998 573384267 /nfs/dbraw/zinc/38/42/67/573384267.db2.gz FVIULRASMZPQLW-JQWIXIFHSA-N 0 0 176.259 2.900 10 30 AFEERN C=CC[C@@H](C)Oc1ccc(C#N)cc1 715788931 573384344 /nfs/dbraw/zinc/38/43/44/573384344.db2.gz SKLSLNMQMGJXSS-SNVBAGLBSA-N 0 0 187.242 2.902 10 30 AFEERN C=C[C@H](C)[C@@H]1C(=O)CC[C@@H]1C=C 238374749 573384393 /nfs/dbraw/zinc/38/43/93/573384393.db2.gz QPRCLXZYBAHJKH-QXEWZRGKSA-N 0 0 164.248 2.590 10 30 AFEERN C=C(/C=C/c1ccc(F)cc1)CC=O 308372687 573384410 /nfs/dbraw/zinc/38/44/10/573384410.db2.gz UGBAZPQCUSAVFG-NSCUHMNNSA-N 0 0 190.217 2.984 10 30 AFEERN C=C(C)c1cc(OC)ccc1C=O 238376899 573386438 /nfs/dbraw/zinc/38/64/38/573386438.db2.gz RFRWTRXJJXXVII-UHFFFAOYSA-N 0 0 176.215 2.541 10 30 AFEERN C=C[C@H](C)c1cc(O)c(C)cc1O 238375827 573385784 /nfs/dbraw/zinc/38/57/84/573385784.db2.gz YCFLZRXNEWZRSO-ZETCQYMHSA-N 0 0 178.231 2.696 10 30 AFEERN C=C[C@H](C)c1ccc(O)c(C)c1 238375965 573385851 /nfs/dbraw/zinc/38/58/51/573385851.db2.gz QOIXFMMBAUVSFL-QMMMGPOBSA-N 0 0 162.232 2.990 10 30 AFEERN CCCCC(=NN)c1ccccc1 308373658 573385967 /nfs/dbraw/zinc/38/59/67/573385967.db2.gz RFEFZEULNHRQSY-UHFFFAOYSA-N 0 0 176.263 2.540 10 30 AFEERN CC[C@@H](CC=O)C1CCCC1 107158168 573386271 /nfs/dbraw/zinc/38/62/71/573386271.db2.gz TZSJUZINJVNVPD-VIFPVBQESA-N 0 0 154.253 2.792 10 30 AFEERN Cc1ccccc1[C@@H](C)CC=O 107159819 573389006 /nfs/dbraw/zinc/38/90/06/573389006.db2.gz KVCHDKXCDQUMRM-JTQLQIEISA-N 0 0 162.232 2.688 10 30 AFEERN C/C(=C\c1ccco1)[C@@H](C)C=O 238376700 573388380 /nfs/dbraw/zinc/38/83/80/573388380.db2.gz YMWMDGLRGIMNQZ-ORZBULNSSA-N 0 0 164.204 2.518 10 30 AFEERN C[C@@H](C=O)C1=CCCc2ccccc21 238377310 573388455 /nfs/dbraw/zinc/38/84/55/573388455.db2.gz ITTKKBIQLUWOFG-JTQLQIEISA-N 0 0 186.254 2.851 10 30 AFEERN Cc1cccc(-c2ccccc2C#N)n1 216863260 573388619 /nfs/dbraw/zinc/38/86/19/573388619.db2.gz XDIUQZUZAYBIGX-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN Cc1ccc([C@H](C=O)C(C)C)o1 107161099 573388640 /nfs/dbraw/zinc/38/86/40/573388640.db2.gz BSFJVELPMGAHAO-SECBINFHSA-N 0 0 166.220 2.527 10 30 AFEERN CC[C@H](C=O)c1ccccc1F 107161064 573388939 /nfs/dbraw/zinc/38/89/39/573388939.db2.gz LWGBTWZDQQZTOC-MRVPVSSYSA-N 0 0 166.195 2.518 10 30 AFEERN N#Cc1cc2ccc3[nH]ccc3c2[nH]1 259611158 573396364 /nfs/dbraw/zinc/39/63/64/573396364.db2.gz FYFPJSYVAILGGF-UHFFFAOYSA-N 0 0 181.198 2.521 10 30 AFEERN CC(C)c1ncoc1CCCC#N 259611173 573396401 /nfs/dbraw/zinc/39/64/01/573396401.db2.gz FZFYWRBJPQMWIA-UHFFFAOYSA-N 0 0 178.235 2.644 10 30 AFEERN CCc1ccccc1NCCCS 258643017 573396560 /nfs/dbraw/zinc/39/65/60/573396560.db2.gz LYLSAUHSYNJMIH-UHFFFAOYSA-N 0 0 195.331 2.981 10 30 AFEERN CC[C@@H](C=O)c1cc(F)ccc1F 107171941 573396602 /nfs/dbraw/zinc/39/66/02/573396602.db2.gz PWXVSEMVXSTOEF-ZETCQYMHSA-N 0 0 184.185 2.657 10 30 AFEERN C=C[C@@H]1O[C@H](C)[C@@H]1[C@H](O)CCCCC 308572897 573396948 /nfs/dbraw/zinc/39/69/48/573396948.db2.gz FXZNRSSIFSODFG-WISYIIOYSA-N 0 0 198.306 2.517 10 30 AFEERN C=C[C@@H]1O[C@H](C)[C@H]1[C@@H](O)CCCCC 308572895 573397077 /nfs/dbraw/zinc/39/70/77/573397077.db2.gz FXZNRSSIFSODFG-RHYQMDGZSA-N 0 0 198.306 2.517 10 30 AFEERN C[C@@H](CC=O)c1cc(F)ccc1F 107171930 573397972 /nfs/dbraw/zinc/39/79/72/573397972.db2.gz IAHOCTYWHIENOD-ZETCQYMHSA-N 0 0 184.185 2.657 10 30 AFEERN C[C@@H](C=O)c1cc(F)ccc1Cl 107173215 573398123 /nfs/dbraw/zinc/39/81/23/573398123.db2.gz YHFDQZGTMHVZEQ-LURJTMIESA-N 0 0 186.613 2.782 10 30 AFEERN Cc1ccc([C@@](C)(F)C=O)c(C)c1 257810286 573398143 /nfs/dbraw/zinc/39/81/43/573398143.db2.gz AJKNMOUTCKBDAA-NSHDSACASA-N 0 0 180.222 2.687 10 30 AFEERN C=C[C@@H]1O[C@H](C)[C@H]1[C@H](O)CCCCC 308572898 573398153 /nfs/dbraw/zinc/39/81/53/573398153.db2.gz FXZNRSSIFSODFG-WYUUTHIRSA-N 0 0 198.306 2.517 10 30 AFEERN COc1ccc2sccc2c1C#N 238386695 573398193 /nfs/dbraw/zinc/39/81/93/573398193.db2.gz GYGPOTCKPAINDG-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN Cc1sc2cc(C#N)oc2c1C 259437146 573398238 /nfs/dbraw/zinc/39/82/38/573398238.db2.gz JUMYHRSZDIWHIB-UHFFFAOYSA-N 0 0 177.228 2.983 10 30 AFEERN CC[C@H](O)C[C@]1(C#N)CC[C@H](CC)C1 308572226 573398263 /nfs/dbraw/zinc/39/82/63/573398263.db2.gz FOMICMLBMNTUPX-SRVKXCTJSA-N 0 0 195.306 2.867 10 30 AFEERN O=CCCc1cc(F)ccc1Cl 107173213 573398703 /nfs/dbraw/zinc/39/87/03/573398703.db2.gz TZTIQJRDKZBFSA-UHFFFAOYSA-N 0 0 186.613 2.611 10 30 AFEERN CCCn1cc(C#N)c2ccccc21 84859761 573398817 /nfs/dbraw/zinc/39/88/17/573398817.db2.gz QQSCSWQHRZVCSG-UHFFFAOYSA-N 0 0 184.242 2.923 10 30 AFEERN CC[C@@H](C=O)c1c[nH]c2ccccc12 107173400 573398827 /nfs/dbraw/zinc/39/88/27/573398827.db2.gz NHIKXSIGKSZUOI-VIFPVBQESA-N 0 0 187.242 2.860 10 30 AFEERN CC(C)=CC(=O)C1CCCC1 118422254 573399022 /nfs/dbraw/zinc/39/90/22/573399022.db2.gz BYMDBCSWASEEIW-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@H](C=O)c1ccc(F)cc1F 107171948 573399055 /nfs/dbraw/zinc/39/90/55/573399055.db2.gz WVGVACJGIHMZJX-SSDOTTSWSA-N 0 0 184.185 2.657 10 30 AFEERN CC[C@@H]1CCC(C=O)=C(O)C1(C)C 118423087 573399127 /nfs/dbraw/zinc/39/91/27/573399127.db2.gz XPHVJMBRWHNMMF-FCZSHJHJSA-N 0 0 182.263 2.844 10 30 AFEERN CC[C@H](C=O)c1c[nH]c2ccccc12 107173402 573399349 /nfs/dbraw/zinc/39/93/49/573399349.db2.gz NHIKXSIGKSZUOI-SECBINFHSA-N 0 0 187.242 2.860 10 30 AFEERN C[C@H](C=O)c1cc(F)ccc1Cl 107173219 573399477 /nfs/dbraw/zinc/39/94/77/573399477.db2.gz YHFDQZGTMHVZEQ-ZCFIWIBFSA-N 0 0 186.613 2.782 10 30 AFEERN CC(C)=C1C(=O)[C@@H](C)C1(C)C 238388326 573399618 /nfs/dbraw/zinc/39/96/18/573399618.db2.gz JAJVQQOZHPTGFQ-SSDOTTSWSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H](CC=O)c1ccc(F)cc1F 107171940 573399690 /nfs/dbraw/zinc/39/96/90/573399690.db2.gz MDWZGMKBJYOXLO-SSDOTTSWSA-N 0 0 184.185 2.657 10 30 AFEERN CC[C@H](O)C[C@]1(C#N)CC[C@@H](CC)C1 308572227 573399888 /nfs/dbraw/zinc/39/98/88/573399888.db2.gz FOMICMLBMNTUPX-WOPDTQHZSA-N 0 0 195.306 2.867 10 30 AFEERN C=C1[C@@H](CO)CCC(C)(C)[C@@H]1C 238388077 573400016 /nfs/dbraw/zinc/40/00/16/573400016.db2.gz SQGLNMCVBPSWGH-NXEZZACHSA-N 0 0 168.280 2.607 10 30 AFEERN C=C[C@@]1(C)C(C)=C(C)C(=O)[C@H]1C 238388586 573400130 /nfs/dbraw/zinc/40/01/30/573400130.db2.gz OMHQJPDKZPEVOI-KOLCDFICSA-N 0 0 164.248 2.734 10 30 AFEERN C=C1[C@@H](C)C(C)(C)CC[C@H]1C=O 238388111 573400163 /nfs/dbraw/zinc/40/01/63/573400163.db2.gz IVXXIDDXDLVBJQ-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN CCn1cc(C#N)c2cc(F)ccc21 84868274 573400189 /nfs/dbraw/zinc/40/01/89/573400189.db2.gz RJBSKTKEVKPLFQ-UHFFFAOYSA-N 0 0 188.205 2.672 10 30 AFEERN C[C@H](C=O)c1ccc(Cl)c(F)c1 107173225 573400322 /nfs/dbraw/zinc/40/03/22/573400322.db2.gz HIELYEGBCPJCCY-ZCFIWIBFSA-N 0 0 186.613 2.782 10 30 AFEERN Cc1cc(C)c2[nH]c(C#N)cc2c1 259439818 573400336 /nfs/dbraw/zinc/40/03/36/573400336.db2.gz MWYVUFYHGKCUNB-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN C=C1CCCC[C@@]1(C)CCO 34060495 573406513 /nfs/dbraw/zinc/40/65/13/573406513.db2.gz GDDWRFIVDVTIHA-JTQLQIEISA-N 0 0 154.253 2.505 10 30 AFEERN CCC(CC)N(C)[C@H](C#N)C(C)C 259442631 573406796 /nfs/dbraw/zinc/40/67/96/573406796.db2.gz NHBHQVZYOKSDDC-LLVKDONJSA-N 0 0 182.311 2.655 10 30 AFEERN Cc1ccc(N[C@@H](C)CS)cc1 238389639 573406895 /nfs/dbraw/zinc/40/68/95/573406895.db2.gz ZSJWICNPILLDAM-VIFPVBQESA-N 0 0 181.304 2.725 10 30 AFEERN O=C[C@H]1CCc2ccccc2C1(F)F 257811097 573412970 /nfs/dbraw/zinc/41/29/70/573412970.db2.gz AYKLUDHRZGRYSE-SECBINFHSA-N 0 0 196.196 2.540 10 30 AFEERN CCCCNN=C[C@H]1CC[C@H](C)C1 308387419 573416427 /nfs/dbraw/zinc/41/64/27/573416427.db2.gz XULPPRWSUQFUCR-QWRGUYRKSA-N 0 0 182.311 2.798 10 30 AFEERN C#CC[C@H](C)c1cc(O)ccc1C 238383876 573416503 /nfs/dbraw/zinc/41/65/03/573416503.db2.gz BGHILGMAMDKNOP-VIFPVBQESA-N 0 0 174.243 2.827 10 30 AFEERN CCCCNN=C[C@@H]1CC[C@@H](C)C1 308387417 573416556 /nfs/dbraw/zinc/41/65/56/573416556.db2.gz XULPPRWSUQFUCR-GHMZBOCLSA-N 0 0 182.311 2.798 10 30 AFEERN Cc1ocnc1CSCCCC#N 308386540 573416692 /nfs/dbraw/zinc/41/66/92/573416692.db2.gz VAIYGEIKYKZMRN-UHFFFAOYSA-N 0 0 196.275 2.520 10 30 AFEERN CC[C@H](C)ON=CCC(C)(C)OC 308386857 573416759 /nfs/dbraw/zinc/41/67/59/573416759.db2.gz XJZOGFUUTDGIOT-VIFPVBQESA-N 0 0 187.283 2.602 10 30 AFEERN C=C(c1ccncc1)C(F)(F)F 118663288 573416797 /nfs/dbraw/zinc/41/67/97/573416797.db2.gz VVIXHANYOJJUIB-UHFFFAOYSA-N 0 0 173.137 2.657 10 30 AFEERN CCCCNN=C[C@@H]1CC[C@H](C)C1 308387420 573416879 /nfs/dbraw/zinc/41/68/79/573416879.db2.gz XULPPRWSUQFUCR-WDEREUQCSA-N 0 0 182.311 2.798 10 30 AFEERN CCCCC/C=C/C[C@@H]1O[C@@H]1CCO 308580522 573416940 /nfs/dbraw/zinc/41/69/40/573416940.db2.gz JPACMYMSJNKTGW-FNSAGKMKSA-N 0 0 198.306 2.663 10 30 AFEERN C=C[C@@H](CC)OC(=O)C=C1CCC1 308440230 573417185 /nfs/dbraw/zinc/41/71/85/573417185.db2.gz YQLUWCOEAJBFJR-JTQLQIEISA-N 0 0 180.247 2.605 10 30 AFEERN C=C(C)[C@H]1CC=C(C)[C@H](CO)C1 34173341 573419169 /nfs/dbraw/zinc/41/91/69/573419169.db2.gz ROXWNAVVBBPBPZ-QWRGUYRKSA-N 0 0 166.264 2.527 10 30 AFEERN SCc1csc(C2CCC2)n1 259444460 573419242 /nfs/dbraw/zinc/41/92/42/573419242.db2.gz XBCKTNVUEGXBQH-UHFFFAOYSA-N 0 0 185.317 2.840 10 30 AFEERN CC#CCCC(=O)CCCC 133670258 573419367 /nfs/dbraw/zinc/41/93/67/573419367.db2.gz URSATZPFGPDILG-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN C#C[C@@H](CC)OC(=O)CCCCC 308381864 573419572 /nfs/dbraw/zinc/41/95/72/573419572.db2.gz UXGYFXOJLAHJOB-JTQLQIEISA-N 0 0 182.263 2.522 10 30 AFEERN CO/N=C(\C)Cc1ccc(Cl)cc1 118734042 573419577 /nfs/dbraw/zinc/41/95/77/573419577.db2.gz XAOBKKOISVLBTO-XYOKQWHBSA-N 0 0 197.665 2.905 10 30 AFEERN CC[C@H](C#N)Nc1cc(C#N)ccc1C 50430173 573419646 /nfs/dbraw/zinc/41/96/46/573419646.db2.gz UHMDPCBTNPTZRI-LLVKDONJSA-N 0 0 199.257 2.581 10 30 AFEERN C#CCC[C@H](CCCCCCC)NN 133686022 573419648 /nfs/dbraw/zinc/41/96/48/573419648.db2.gz FXNNSPJQNXYDAW-GFCCVEGCSA-N 0 0 196.338 2.592 10 30 AFEERN CCc1cc2oc(C#N)cc2s1 259445103 573419682 /nfs/dbraw/zinc/41/96/82/573419682.db2.gz KLAXPFIAKFQLHJ-UHFFFAOYSA-N 0 0 177.228 2.928 10 30 AFEERN CC(C)[C@@]1(c2ccccc2)C[C@@H]1C=O 257810851 573419952 /nfs/dbraw/zinc/41/99/52/573419952.db2.gz ATEFOFWSVQHNHV-CHWSQXEVSA-N 0 0 188.270 2.799 10 30 AFEERN C=CC(C)(C)[C@H](SC)C(C)=O 238391883 573423701 /nfs/dbraw/zinc/42/37/01/573423701.db2.gz WGRYWTKXHRQGDT-MRVPVSSYSA-N 0 0 172.293 2.519 10 30 AFEERN C=C[C@@H](C)C1=C[C@@H](O)C(C)(C)C1 34215666 573420450 /nfs/dbraw/zinc/42/04/50/573420450.db2.gz GCRDXBURVRRVHA-PSASIEDQSA-N 0 0 166.264 2.526 10 30 AFEERN CCc1cc(C#N)cc(Cl)c1OC 258024589 573420478 /nfs/dbraw/zinc/42/04/78/573420478.db2.gz IKJYRWKSHDKLNF-UHFFFAOYSA-N 0 0 195.649 2.783 10 30 AFEERN CC(C)[C@]1(c2ccccc2)C[C@H]1C=O 257810854 573420773 /nfs/dbraw/zinc/42/07/73/573420773.db2.gz ATEFOFWSVQHNHV-STQMWFEESA-N 0 0 188.270 2.799 10 30 AFEERN C[C@@H]1CCC2=C(CCCC2=O)C1 238399435 573420976 /nfs/dbraw/zinc/42/09/76/573420976.db2.gz JDZFAAHHJALFHQ-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN C/C=C\c1ccccc1N(C)CC#N 214882367 573421023 /nfs/dbraw/zinc/42/10/23/573421023.db2.gz ZVJBGEYWEIFNRH-UTCJRWHESA-N 0 0 186.258 2.679 10 30 AFEERN C=C(C)CCC(=O)C[C@@H](C)COC 162060941 573423800 /nfs/dbraw/zinc/42/38/00/573423800.db2.gz VCDOALCIMFWIHP-SNVBAGLBSA-N 0 0 184.279 2.584 10 30 AFEERN COc1cccc([C@@H]2OC2(C)C)c1 259445608 573423964 /nfs/dbraw/zinc/42/39/64/573423964.db2.gz VMIJKKOXFKZMDR-JTQLQIEISA-N 0 0 178.231 2.545 10 30 AFEERN C=CC[C@H]1CC(=O)[C@@H](C)C1(C)C 238390981 573424083 /nfs/dbraw/zinc/42/40/83/573424083.db2.gz XCNYPLOTHNRSPA-BDAKNGLRSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1ccc([C@H]2CO2)c(C)c1C 259445653 573424279 /nfs/dbraw/zinc/42/42/79/573424279.db2.gz VMZMMLYSRMPTCD-LLVKDONJSA-N 0 0 162.232 2.683 10 30 AFEERN C[C@H](C=O)C[C@@H](C)C#C[Si](C)(C)C 238390959 573424435 /nfs/dbraw/zinc/42/44/35/573424435.db2.gz MIALWYRLVCFEKA-QWRGUYRKSA-N 0 0 196.366 2.728 10 30 AFEERN COc1cccc([C@H]2OC2(C)C)c1 259445610 573424704 /nfs/dbraw/zinc/42/47/04/573424704.db2.gz VMIJKKOXFKZMDR-SNVBAGLBSA-N 0 0 178.231 2.545 10 30 AFEERN Cc1ccc([C@@H]2CO2)c(C)c1C 259445655 573424904 /nfs/dbraw/zinc/42/49/04/573424904.db2.gz VMZMMLYSRMPTCD-NSHDSACASA-N 0 0 162.232 2.683 10 30 AFEERN N#CC1(c2cnc3cc[nH]c3c2)CCC1 214887449 573424982 /nfs/dbraw/zinc/42/49/82/573424982.db2.gz RAODBHXEIWRJJY-UHFFFAOYSA-N 0 0 197.241 2.508 10 30 AFEERN Cc1c(F)cc(F)cc1[C@@H](C)CC=O 258024624 573425089 /nfs/dbraw/zinc/42/50/89/573425089.db2.gz ILAUDDOETPOOOY-ZETCQYMHSA-N 0 0 198.212 2.966 10 30 AFEERN CCCn1cc(C#N)c2nc(C)ccc21 259447751 573427138 /nfs/dbraw/zinc/42/71/38/573427138.db2.gz WBEZMNRQAAONAE-UHFFFAOYSA-N 0 0 199.257 2.626 10 30 AFEERN CCCCCCC[C@H](O)[C@@H](C)OC 118812205 573427158 /nfs/dbraw/zinc/42/71/58/573427158.db2.gz YRVPVAGTJKLHCD-MNOVXSKESA-N 0 0 188.311 2.743 10 30 AFEERN O=C[C@@H]1CC[C@H]1c1ccccc1F 257811406 573427458 /nfs/dbraw/zinc/42/74/58/573427458.db2.gz BAGLNMTZMNKEDY-DTWKUNHWSA-N 0 0 178.206 2.518 10 30 AFEERN O=C[C@H]1CC[C@@H]1c1ccccc1F 257811404 573427617 /nfs/dbraw/zinc/42/76/17/573427617.db2.gz BAGLNMTZMNKEDY-BDAKNGLRSA-N 0 0 178.206 2.518 10 30 AFEERN C=CC[C@@H](C)c1ccnc(OC)c1F 715805240 573430952 /nfs/dbraw/zinc/43/09/52/573430952.db2.gz AGNFCMUIFWQIBU-MRVPVSSYSA-N 0 0 195.237 2.909 10 30 AFEERN C=C[C@@H]([NH3+])c1cccc(OC)c1Cl 238393137 573430964 /nfs/dbraw/zinc/43/09/64/573430964.db2.gz OMIQYNFPNCWLRV-MRVPVSSYSA-N 0 0 197.665 2.534 10 30 AFEERN C=C[C@H]1CC(=O)[C@@H](CCC)C1 144169813 573431047 /nfs/dbraw/zinc/43/10/47/573431047.db2.gz KOSBSDFTWYAJCH-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cccc([C@H]2CC[C@@H]2C=O)c1 257811979 573431094 /nfs/dbraw/zinc/43/10/94/573431094.db2.gz BIIMLPHUTYYKRF-VXGBXAGGSA-N 0 0 174.243 2.688 10 30 AFEERN C#C[C@H](O)C[C@H](C)c1ccc(C)s1 238392691 573431158 /nfs/dbraw/zinc/43/11/58/573431158.db2.gz GFUSLSSOUBMARU-WPRPVWTQSA-N 0 0 194.299 2.544 10 30 AFEERN C=CCc1c(O)ccc(Cl)c1OC 238392086 573431182 /nfs/dbraw/zinc/43/11/82/573431182.db2.gz UXMHGSCYOWZGDA-UHFFFAOYSA-N 0 0 198.649 2.783 10 30 AFEERN Cc1ccccc1-c1[nH]cc(O)c1C#N 259447584 573431266 /nfs/dbraw/zinc/43/12/66/573431266.db2.gz NVRGDDLTBHTZHZ-UHFFFAOYSA-N 0 0 198.225 2.567 10 30 AFEERN CCCc1ccc([C@@H](S)NC)cc1 259102805 573434891 /nfs/dbraw/zinc/43/48/91/573434891.db2.gz AJQBGFQMDMNMMN-LLVKDONJSA-N 0 0 195.331 2.787 10 30 AFEERN C#CCC[C@H](O)CC/C=C/CC 238220227 573446852 /nfs/dbraw/zinc/44/68/52/573446852.db2.gz VFTWOMGHRJTNGR-ZRQQLDRUSA-N 0 0 166.264 2.507 10 30 AFEERN N#CCC(=O)C1CCCCCCC1 83187852 573446857 /nfs/dbraw/zinc/44/68/57/573446857.db2.gz FEVIHVGALLBOJB-UHFFFAOYSA-N 0 0 179.263 2.830 10 30 AFEERN Cc1ccsc1C(=O)CCC#N 259450435 573446932 /nfs/dbraw/zinc/44/69/32/573446932.db2.gz VZCHEPKWIYISRA-UHFFFAOYSA-N 0 0 179.244 2.543 10 30 AFEERN C=CC[C@@H](C)Cc1ccccn1 715806941 573446257 /nfs/dbraw/zinc/44/62/57/573446257.db2.gz MSVIRHHNMFVVGA-SNVBAGLBSA-N 0 0 161.248 2.836 10 30 AFEERN C[C@H](C=O)[C@H]1CCc2c(F)cccc21 257816370 573446305 /nfs/dbraw/zinc/44/63/05/573446305.db2.gz DJSAMNLNPJDKCY-RKDXNWHRSA-N 0 0 192.233 2.691 10 30 AFEERN C#CC[C@@H](O)/C=C(\C)CCCC 238220342 573446405 /nfs/dbraw/zinc/44/64/05/573446405.db2.gz AIVGSMNXAVMULP-PBQZMEPESA-N 0 0 166.264 2.507 10 30 AFEERN C[C@H](C=O)[C@@H]1CCc2c(F)cccc21 257816366 573446574 /nfs/dbraw/zinc/44/65/74/573446574.db2.gz DJSAMNLNPJDKCY-BDAKNGLRSA-N 0 0 192.233 2.691 10 30 AFEERN CN(c1ccc(F)cc1)C(C)(C)C#N 258657574 573446739 /nfs/dbraw/zinc/44/67/39/573446739.db2.gz ARIZTKZCPHMUTJ-UHFFFAOYSA-N 0 0 192.237 2.564 10 30 AFEERN C[C@@H]1C=CC[C@@H]2CCCC[C@]21C=O 238401805 573457220 /nfs/dbraw/zinc/45/72/20/573457220.db2.gz IPHLJGJMGOSXLK-GRYCIOLGSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@@H]1C[C@H](C)[C@@H](C)C(O)=C1C=O 308591060 573457392 /nfs/dbraw/zinc/45/73/92/573457392.db2.gz OTOWSDVULYVDLU-LWNFVQFESA-N 0 0 194.274 2.866 10 30 AFEERN CC[C@@H](C#N)Cc1ccccc1OC 259454918 573457833 /nfs/dbraw/zinc/45/78/33/573457833.db2.gz QPEUWJWBCNSGJE-SNVBAGLBSA-N 0 0 189.258 2.787 10 30 AFEERN Cc1cccc2c1CC[C@@H]2[C@@H](C)C=O 257820625 573468569 /nfs/dbraw/zinc/46/85/69/573468569.db2.gz FSNIVMXFCWHDLK-CMPLNLGQSA-N 0 0 188.270 2.860 10 30 AFEERN C[C@H](CC=O)c1cccc(F)c1CF 258036112 573467862 /nfs/dbraw/zinc/46/78/62/573467862.db2.gz JLIIVKVTHYCHHR-MRVPVSSYSA-N 0 0 198.212 2.988 10 30 AFEERN C[C@](F)(CC#N)Cc1ccccc1 107274870 573467895 /nfs/dbraw/zinc/46/78/95/573467895.db2.gz WBKLJRXPZWOXLF-NSHDSACASA-N 0 0 177.222 2.871 10 30 AFEERN C[C@@H](C#N)[C@@H](C#N)c1ccc(F)cc1 238409607 573467932 /nfs/dbraw/zinc/46/79/32/573467932.db2.gz RNKWREIDZRUCTR-GZMMTYOYSA-N 0 0 188.205 2.593 10 30 AFEERN CC(C)S[C@@H](C#N)C(F)(F)F 86501791 573467959 /nfs/dbraw/zinc/46/79/59/573467959.db2.gz JILZMLOREKSEFA-YFKPBYRVSA-N 0 0 183.198 2.582 10 30 AFEERN CC(C)(C)[C@](C)(F)CC#N 107274225 573468087 /nfs/dbraw/zinc/46/80/87/573468087.db2.gz PDYYKBARPSLETQ-MRVPVSSYSA-N 0 0 143.205 2.674 10 30 AFEERN N#CCC(F)(F)c1ccccc1 107275219 573468208 /nfs/dbraw/zinc/46/82/08/573468208.db2.gz RZBZMJLYUAOVIO-UHFFFAOYSA-N 0 0 167.158 2.692 10 30 AFEERN C=CC[C@H](C)C(=O)Nc1ccccc1 238409018 573468269 /nfs/dbraw/zinc/46/82/69/573468269.db2.gz XPULXHLREOCNKF-JTQLQIEISA-N 0 0 189.258 2.837 10 30 AFEERN CC(C)(C)S[C@H](C#N)C(F)(F)F 86501797 573468279 /nfs/dbraw/zinc/46/82/79/573468279.db2.gz HOKYBSZMBULNBJ-RXMQYKEDSA-N 0 0 197.225 2.973 10 30 AFEERN N#CC[C@H](F)c1ccccc1F 107275840 573468281 /nfs/dbraw/zinc/46/82/81/573468281.db2.gz QAUUJUOGWVYXOB-VIFPVBQESA-N 0 0 167.158 2.750 10 30 AFEERN C[C@@H]1CC[C@H]2CCC(=O)C=C2[C@@H]1C 238409904 573468325 /nfs/dbraw/zinc/46/83/25/573468325.db2.gz CSXWAWYEAMXMJW-BBBLOLIVSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@](F)(CC#N)c1ccccc1 107275225 573468421 /nfs/dbraw/zinc/46/84/21/573468421.db2.gz OJJRVWGQXNKIGL-JTQLQIEISA-N 0 0 163.195 2.785 10 30 AFEERN CCCS[C@H](C#N)C(F)(F)F 86501789 573468424 /nfs/dbraw/zinc/46/84/24/573468424.db2.gz WQUBMDMOADNRHP-RXMQYKEDSA-N 0 0 183.198 2.584 10 30 AFEERN C=CC[C@H](C)C(=O)C(C)(C)C 238408841 573468461 /nfs/dbraw/zinc/46/84/61/573468461.db2.gz UJPIBIPROMCBSB-QMMMGPOBSA-N 0 0 154.253 2.814 10 30 AFEERN Cc1c(F)cccc1C[C@H](C)C=O 238409328 573469370 /nfs/dbraw/zinc/46/93/70/573469370.db2.gz UEOOITFLAUKWBA-QMMMGPOBSA-N 0 0 180.222 2.512 10 30 AFEERN N#CCC(F)(F)c1ccccc1F 107275843 573468711 /nfs/dbraw/zinc/46/87/11/573468711.db2.gz SHIHKBNUZNNNBR-UHFFFAOYSA-N 0 0 185.148 2.831 10 30 AFEERN C[C@@](F)(CC#N)c1ccccc1F 107275845 573468818 /nfs/dbraw/zinc/46/88/18/573468818.db2.gz KISJDNCHXQOYRZ-SNVBAGLBSA-N 0 0 181.185 2.924 10 30 AFEERN CCC(=O)[C@@]1(C)CCCC[C@@H]1CC=O 238228998 573468862 /nfs/dbraw/zinc/46/88/62/573468862.db2.gz YPGIXFKHTRBOBQ-PWSUYJOCSA-N 0 0 196.290 2.751 10 30 AFEERN Cc1cccc2c1CC[C@H]2[C@@H](C)C=O 257820626 573469093 /nfs/dbraw/zinc/46/90/93/573469093.db2.gz FSNIVMXFCWHDLK-JQWIXIFHSA-N 0 0 188.270 2.860 10 30 AFEERN C[C@@](F)(CC#N)c1cccc(F)c1 107276487 573469146 /nfs/dbraw/zinc/46/91/46/573469146.db2.gz NUQBOTUHTYXVON-SNVBAGLBSA-N 0 0 181.185 2.924 10 30 AFEERN CCCCCCC[C@@H]1O[C@@H]1/C=C/CO 308593029 573469189 /nfs/dbraw/zinc/46/91/89/573469189.db2.gz QBCJKKHYZMSSSY-MJEUXHFXSA-N 0 0 198.306 2.663 10 30 AFEERN N#CC[C@H](F)c1ccc(F)cc1 107277057 573469208 /nfs/dbraw/zinc/46/92/08/573469208.db2.gz RPCIZCOTAJLSSV-VIFPVBQESA-N 0 0 167.158 2.750 10 30 AFEERN CC[C@@H](C#N)CN(C)c1ccccc1 258664990 573469260 /nfs/dbraw/zinc/46/92/60/573469260.db2.gz NWMXTXYLZOTGFM-NSHDSACASA-N 0 0 188.274 2.673 10 30 AFEERN Cc1cccc2c1CC[C@H]2[C@H](C)C=O 257820627 573469270 /nfs/dbraw/zinc/46/92/70/573469270.db2.gz FSNIVMXFCWHDLK-PWSUYJOCSA-N 0 0 188.270 2.860 10 30 AFEERN CC(C)(C)[C@@](C)(F)CC#N 107274227 573469443 /nfs/dbraw/zinc/46/94/43/573469443.db2.gz PDYYKBARPSLETQ-QMMMGPOBSA-N 0 0 143.205 2.674 10 30 AFEERN C[C@@H]1CCC2(CC2)[C@H](C#N)C1 259465699 573469561 /nfs/dbraw/zinc/46/95/61/573469561.db2.gz ASUHMNHHAXKOHT-BDAKNGLRSA-N 0 0 149.237 2.726 10 30 AFEERN N#CC[C@H](F)c1cccc(F)c1 107276481 573469637 /nfs/dbraw/zinc/46/96/37/573469637.db2.gz OFXWUCAHQDLRJF-VIFPVBQESA-N 0 0 167.158 2.750 10 30 AFEERN C=CCC[C@H]1CCC(=O)C[C@H]1C 238408877 573469657 /nfs/dbraw/zinc/46/96/57/573469657.db2.gz MEJKGYDKPZIUQK-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN N#CCC(F)(F)Cc1ccccc1 107274861 573469835 /nfs/dbraw/zinc/46/98/35/573469835.db2.gz WLILYHDWTJVZPO-UHFFFAOYSA-N 0 0 181.185 2.778 10 30 AFEERN C=CCC[C@@H]1CCC(=O)C[C@H]1C 238409065 573469913 /nfs/dbraw/zinc/46/99/13/573469913.db2.gz MEJKGYDKPZIUQK-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C)n1c(C#N)cnc1C1CC1 259465414 573469985 /nfs/dbraw/zinc/46/99/85/573469985.db2.gz YISQTXJHZDSOIV-QMMMGPOBSA-N 0 0 189.262 2.603 10 30 AFEERN C[C@@](F)(CC#N)c1ccccc1 107275223 573470076 /nfs/dbraw/zinc/47/00/76/573470076.db2.gz OJJRVWGQXNKIGL-SNVBAGLBSA-N 0 0 163.195 2.785 10 30 AFEERN CCCS[C@@H](C#N)C(F)(F)F 86501787 573470110 /nfs/dbraw/zinc/47/01/10/573470110.db2.gz WQUBMDMOADNRHP-YFKPBYRVSA-N 0 0 183.198 2.584 10 30 AFEERN CC(C)(C)C(F)(F)CC#N 107274222 573470152 /nfs/dbraw/zinc/47/01/52/573470152.db2.gz ZZGVMRYBUGFKSJ-UHFFFAOYSA-N 0 0 147.168 2.581 10 30 AFEERN C[C@@H](C#N)[C@H](C#N)c1ccc(F)cc1 238409963 573470175 /nfs/dbraw/zinc/47/01/75/573470175.db2.gz RNKWREIDZRUCTR-KWQFWETISA-N 0 0 188.205 2.593 10 30 AFEERN C=CCC[C@]1(C)CC(=O)C[C@H]1C 238409935 573470279 /nfs/dbraw/zinc/47/02/79/573470279.db2.gz SGSBUBPBSRICQR-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN N#CC[C@@H](F)c1ccc(F)cc1 107277052 573470324 /nfs/dbraw/zinc/47/03/24/573470324.db2.gz RPCIZCOTAJLSSV-SECBINFHSA-N 0 0 167.158 2.750 10 30 AFEERN Cc1cc(C#N)cc2sc(N)cc12 306640311 573470340 /nfs/dbraw/zinc/47/03/40/573470340.db2.gz JQQRSTJBOAQVMC-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN N#CCC(F)(F)c1cccc(F)c1 107276484 573470472 /nfs/dbraw/zinc/47/04/72/573470472.db2.gz QRJKPBAGDPFLMB-UHFFFAOYSA-N 0 0 185.148 2.831 10 30 AFEERN Cc1ccc(CC#N)c2c1CCC2 258037626 573470575 /nfs/dbraw/zinc/47/05/75/573470575.db2.gz PTNMDGIAKIBGFA-UHFFFAOYSA-N 0 0 171.243 2.550 10 30 AFEERN CC(C)=CC[C@H](C)[C@H](C)C=O 238408731 573470581 /nfs/dbraw/zinc/47/05/81/573470581.db2.gz YIOQTRCKKMMWKG-VHSXEESVSA-N 0 0 154.253 2.814 10 30 AFEERN C[C@H]1CCC2(CC2)[C@H](C#N)C1 259465705 573470614 /nfs/dbraw/zinc/47/06/14/573470614.db2.gz ASUHMNHHAXKOHT-IUCAKERBSA-N 0 0 149.237 2.726 10 30 AFEERN CCC(CC)[C@H](C)NC(C)(C)C#N 308391821 573470698 /nfs/dbraw/zinc/47/06/98/573470698.db2.gz ZZFKQNVVDKUMDX-VIFPVBQESA-N 0 0 182.311 2.703 10 30 AFEERN Cc1ccc(C(F)(F)CC=O)cc1 257820831 573470789 /nfs/dbraw/zinc/47/07/89/573470789.db2.gz FRQXOXCTADYIIU-UHFFFAOYSA-N 0 0 184.185 2.676 10 30 AFEERN C=CC[C@H](C)c1ccnn1CC1CC1 715816782 573470810 /nfs/dbraw/zinc/47/08/10/573470810.db2.gz YOZHRBAUSKENTB-JTQLQIEISA-N 0 0 190.290 2.973 10 30 AFEERN C=CC[C@H](CO)c1ccccc1CC 308583481 573470823 /nfs/dbraw/zinc/47/08/23/573470823.db2.gz KXSLROJFMHHCHN-GFCCVEGCSA-N 0 0 190.286 2.901 10 30 AFEERN CCCCCCC[C@@H]1O[C@@H]1/C=C\CO 308593030 573470838 /nfs/dbraw/zinc/47/08/38/573470838.db2.gz QBCJKKHYZMSSSY-ONCZFSCLSA-N 0 0 198.306 2.663 10 30 AFEERN C=CC[C@](C)(C#N)c1cccc(N)c1 259466007 573473110 /nfs/dbraw/zinc/47/31/10/573473110.db2.gz GTPACPPSKQUCSQ-GFCCVEGCSA-N 0 0 186.258 2.626 10 30 AFEERN C=C1C=C[C@H]([C@@H](C)CC=O)CC1 238411947 573473178 /nfs/dbraw/zinc/47/31/78/573473178.db2.gz LZIRUJQTWLAHHS-QWRGUYRKSA-N 0 0 164.248 2.734 10 30 AFEERN CSc1ccc(CC#N)s1 238411674 573473187 /nfs/dbraw/zinc/47/31/87/573473187.db2.gz ZERRXZYWAHRCNA-UHFFFAOYSA-N 0 0 169.274 2.536 10 30 AFEERN C[C@@H](CC=O)[C@H]1C=CCCC1 238412018 573473495 /nfs/dbraw/zinc/47/34/95/573473495.db2.gz ZFAQZUCDRJRTHU-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc(C#CCCCCO)cc1 35076096 573473598 /nfs/dbraw/zinc/47/35/98/573473598.db2.gz DCELRFJIOLVTRW-UHFFFAOYSA-N 0 0 188.270 2.509 10 30 AFEERN C[C@@H](CC=O)[C@@H]1CC(=O)CC(C)(C)C1 238411921 573473635 /nfs/dbraw/zinc/47/36/35/573473635.db2.gz CWRBMWIBTCSEGS-VHSXEESVSA-N 0 0 196.290 2.607 10 30 AFEERN C=C(C)C[S@](=O)Cc1ccccc1 142380559 573473659 /nfs/dbraw/zinc/47/36/59/573473659.db2.gz SVYRKYKYCAWCEK-CYBMUJFWSA-N 0 0 194.299 2.511 10 30 AFEERN C[C@@H]1CCC[C@@H]2C=CC[C@@H](C=O)[C@@H]12 238412714 573473815 /nfs/dbraw/zinc/47/38/15/573473815.db2.gz FNNNWYULYUGBGO-WYUUTHIRSA-N 0 0 178.275 2.814 10 30 AFEERN C[C@H]1CCC2(CC2)[C@@H](C#N)C1 259465702 573473872 /nfs/dbraw/zinc/47/38/72/573473872.db2.gz ASUHMNHHAXKOHT-DTWKUNHWSA-N 0 0 149.237 2.726 10 30 AFEERN C=CC(=O)/C=C/CCCCC 142270582 573473876 /nfs/dbraw/zinc/47/38/76/573473876.db2.gz WHXGMHQDSQWUMC-CMDGGOBGSA-N 0 0 152.237 2.878 10 30 AFEERN Cc1cc(O)c([C@H](C)CC=O)cc1C 258045137 573474105 /nfs/dbraw/zinc/47/41/05/573474105.db2.gz KBOIRDICBQQXNT-MRVPVSSYSA-N 0 0 192.258 2.702 10 30 AFEERN Cc1cc(O)c([C@@H](C)CC=O)cc1C 258045139 573475072 /nfs/dbraw/zinc/47/50/72/573475072.db2.gz KBOIRDICBQQXNT-QMMMGPOBSA-N 0 0 192.258 2.702 10 30 AFEERN C=C[C@@H](CCO)CCCCC 238232539 573474395 /nfs/dbraw/zinc/47/43/95/573474395.db2.gz RSOGHKMGTPXOBW-SNVBAGLBSA-N 0 0 156.269 2.751 10 30 AFEERN CC[C@@H](C)n1c(C#N)cnc1C1CC1 259465411 573474560 /nfs/dbraw/zinc/47/45/60/573474560.db2.gz YISQTXJHZDSOIV-MRVPVSSYSA-N 0 0 189.262 2.603 10 30 AFEERN N#Cc1cc(C2=CCCC2)ccc1O 306412797 573474609 /nfs/dbraw/zinc/47/46/09/573474609.db2.gz RFKHKYWSXWKHDX-UHFFFAOYSA-N 0 0 185.226 2.831 10 30 AFEERN C=C1C=C[C@@H]([C@@H](C)CC=O)CC1 238412455 573474734 /nfs/dbraw/zinc/47/47/34/573474734.db2.gz LZIRUJQTWLAHHS-WDEREUQCSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H]1CC[C@](C=O)(c2ccccc2)C1 238411702 573474979 /nfs/dbraw/zinc/47/49/79/573474979.db2.gz ZYUVBBPLALTQJG-YPMHNXCESA-N 0 0 188.270 2.943 10 30 AFEERN C[C@H](C#N)C(=S)Nc1ccccc1 238412011 573474993 /nfs/dbraw/zinc/47/49/93/573474993.db2.gz RERSIEXTYFGXJH-MRVPVSSYSA-N 0 0 190.271 2.586 10 30 AFEERN C[C@@H](CC=O)[C@@H]1C=CCCC1 238412506 573475045 /nfs/dbraw/zinc/47/50/45/573475045.db2.gz ZFAQZUCDRJRTHU-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H](CC=O)Sc1ccsc1 238411699 573475123 /nfs/dbraw/zinc/47/51/23/573475123.db2.gz WWKKSSWSRVZWJE-ZETCQYMHSA-N 0 0 186.301 2.818 10 30 AFEERN CSC1(C=O)CCCCCC1 238412761 573475129 /nfs/dbraw/zinc/47/51/29/573475129.db2.gz CNMNPDWWAPJXOI-UHFFFAOYSA-N 0 0 172.293 2.641 10 30 AFEERN CCO[C@@](C)(CC=O)C1CCCCC1 257818433 573475174 /nfs/dbraw/zinc/47/51/74/573475174.db2.gz CPSYKZXFHIUUID-LBPRGKRZSA-N 0 0 198.306 2.951 10 30 AFEERN CC(C)(C#N)C(F)(F)C(F)(F)F 257818366 573475382 /nfs/dbraw/zinc/47/53/82/573475382.db2.gz DXSXSBXLCHRSEE-UHFFFAOYSA-N 0 0 187.111 2.734 10 30 AFEERN C=C(C(C)=O)[C@H](C)c1ccccc1 238411779 573475384 /nfs/dbraw/zinc/47/53/84/573475384.db2.gz ZCLCYQSSPRFQST-JTQLQIEISA-N 0 0 174.243 2.935 10 30 AFEERN C[C@@H](CC=O)[C@H]1CC(=O)CC(C)(C)C1 238412445 573475447 /nfs/dbraw/zinc/47/54/47/573475447.db2.gz CWRBMWIBTCSEGS-UWVGGRQHSA-N 0 0 196.290 2.607 10 30 AFEERN CCCCCC/C=C/C[C@H](O)[C@@H]1CO1 308593976 573475457 /nfs/dbraw/zinc/47/54/57/573475457.db2.gz QRQZKCZDAOJTRG-BRQSLIGTSA-N 0 0 198.306 2.663 10 30 AFEERN CC(C)c1nc(C2(C#N)CC2)cs1 259468839 573475469 /nfs/dbraw/zinc/47/54/69/573475469.db2.gz ZIYSDUGARMRYTO-UHFFFAOYSA-N 0 0 192.287 2.822 10 30 AFEERN C[C@@H]1CCC[C@@H]2C(=O)C=CC[C@]21C 238412655 573475474 /nfs/dbraw/zinc/47/54/74/573475474.db2.gz CCFSTAMTLUTXNB-FOGDFJRCSA-N 0 0 178.275 2.958 10 30 AFEERN CCCCCC/C=C/C[C@H](O)[C@H]1CO1 308593975 573475722 /nfs/dbraw/zinc/47/57/22/573475722.db2.gz QRQZKCZDAOJTRG-ADYIUWEDSA-N 0 0 198.306 2.663 10 30 AFEERN Cc1ccc(C)c2[nH]c(C#N)cc12 259464897 573475759 /nfs/dbraw/zinc/47/57/59/573475759.db2.gz PNBJBHMAZGEREV-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN CCO[C@](C)(CC=O)C1CCCCC1 257818429 573475780 /nfs/dbraw/zinc/47/57/80/573475780.db2.gz CPSYKZXFHIUUID-GFCCVEGCSA-N 0 0 198.306 2.951 10 30 AFEERN C=CC[C@H](C)c1ccc(OC)nc1 715828152 573479346 /nfs/dbraw/zinc/47/93/46/573479346.db2.gz IDCNRJBHUXJCFG-VIFPVBQESA-N 0 0 177.247 2.770 10 30 AFEERN CC(C)Oc1ccc([C@H](F)C=O)cc1 257818266 573479370 /nfs/dbraw/zinc/47/93/70/573479370.db2.gz FAIXMONIULVWCG-LLVKDONJSA-N 0 0 196.221 2.683 10 30 AFEERN C=CC[C@@H](C)c1cncs1 715828618 573479390 /nfs/dbraw/zinc/47/93/90/573479390.db2.gz IHMDRJSQTUSARA-SSDOTTSWSA-N 0 0 153.250 2.823 10 30 AFEERN O=CC1(c2ccccc2)CC(F)(F)C1 257818297 573479410 /nfs/dbraw/zinc/47/94/10/573479410.db2.gz FBOJAFHVAPDZQU-UHFFFAOYSA-N 0 0 196.196 2.552 10 30 AFEERN CC(C)Oc1ccc([C@@H](F)C=O)cc1 257818268 573479578 /nfs/dbraw/zinc/47/95/78/573479578.db2.gz FAIXMONIULVWCG-NSHDSACASA-N 0 0 196.221 2.683 10 30 AFEERN CC(C)OCC1=CC(=O)CC(C)(C)C1 86528369 573479591 /nfs/dbraw/zinc/47/95/91/573479591.db2.gz FEEILRMUETUDBJ-UHFFFAOYSA-N 0 0 196.290 2.727 10 30 AFEERN C=CC[C@H]1CCCC[C@@]1(C)OCCO 308595131 573479826 /nfs/dbraw/zinc/47/98/26/573479826.db2.gz RJWYIZQUZYAFJL-NWDGAFQWSA-N 0 0 198.306 2.520 10 30 AFEERN C[C@H]1O[C@H]1c1ccc(F)c(Cl)c1 259105902 573479865 /nfs/dbraw/zinc/47/98/65/573479865.db2.gz CNRVSNHDGYTIMK-MLUIRONXSA-N 0 0 186.613 2.939 10 30 AFEERN Cc1cccc([C@H](C)CC=O)c1F 258046096 573485246 /nfs/dbraw/zinc/48/52/46/573485246.db2.gz QTQUXYVLQGKGTJ-MRVPVSSYSA-N 0 0 180.222 2.827 10 30 AFEERN C[C@H]1CCC[C@]1(C#N)N1CCCCC1 83395989 573485248 /nfs/dbraw/zinc/48/52/48/573485248.db2.gz SRHPHHOKUXXBNN-NWDGAFQWSA-N 0 0 192.306 2.555 10 30 AFEERN C=C(C)[C@H](C)C(=O)Nc1ccccc1 238415337 573485331 /nfs/dbraw/zinc/48/53/31/573485331.db2.gz DDPUOQFQCNUFCJ-JTQLQIEISA-N 0 0 189.258 2.837 10 30 AFEERN CC1=CC(=O)CC[C@]12CC=C[C@H]2C 223109792 573485355 /nfs/dbraw/zinc/48/53/55/573485355.db2.gz IXAYMUYNDILDST-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC(=O)CC[C@@]12CC=C[C@H]2C 223109733 573485545 /nfs/dbraw/zinc/48/55/45/573485545.db2.gz IXAYMUYNDILDST-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN N#Cc1cc(-c2cccs2)ns1 259469598 573485741 /nfs/dbraw/zinc/48/57/41/573485741.db2.gz PXJHHTBZKLSOAL-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN CCCC1(CS)CCC1 686131484 573485782 /nfs/dbraw/zinc/48/57/82/573485782.db2.gz RQMXWNVUSPBQQR-UHFFFAOYSA-N 0 0 144.283 2.887 10 30 AFEERN C[C@H]1CCC[C@@]1(C#N)N1CCCCC1 83395985 573485816 /nfs/dbraw/zinc/48/58/16/573485816.db2.gz SRHPHHOKUXXBNN-RYUDHWBXSA-N 0 0 192.306 2.555 10 30 AFEERN CC1=CCC[C@@H](CC=O)C1(C)C 78455974 573485917 /nfs/dbraw/zinc/48/59/17/573485917.db2.gz SYHVJIASMXPWOW-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN Cc1occ(C(C)C)c1C#N 259471084 573486117 /nfs/dbraw/zinc/48/61/17/573486117.db2.gz BMJMUXSSWQTDGM-UHFFFAOYSA-N 0 0 149.193 2.583 10 30 AFEERN CCOc1ccc([C@H]2O[C@H]2C)cc1C 259471114 573486160 /nfs/dbraw/zinc/48/61/60/573486160.db2.gz XOBXGNITFVHHNH-CABZTGNLSA-N 0 0 192.258 2.854 10 30 AFEERN CCc1ccoc1[C@@H](C#N)CC 259471060 573486235 /nfs/dbraw/zinc/48/62/35/573486235.db2.gz BMAZHPQFDCQFRP-SECBINFHSA-N 0 0 163.220 2.859 10 30 AFEERN C#C[C@H]([NH2+]CCC)c1ccc(C)s1 130150693 573486320 /nfs/dbraw/zinc/48/63/20/573486320.db2.gz GKMUMHDEYHWFIB-JTQLQIEISA-N 0 0 193.315 2.730 10 30 AFEERN CC[C@]1(c2ccc(F)cc2)C[C@H]1C=O 257820020 573486592 /nfs/dbraw/zinc/48/65/92/573486592.db2.gz FNOWBNUHNNSSCU-CMPLNLGQSA-N 0 0 192.233 2.692 10 30 AFEERN C[C@@H]1CCC[C@@]1(C#N)N1CCCCC1 83395983 573486607 /nfs/dbraw/zinc/48/66/07/573486607.db2.gz SRHPHHOKUXXBNN-NEPJUHHUSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@@]1(c2ccc(F)cc2)C[C@H]1C=O 257820021 573490836 /nfs/dbraw/zinc/49/08/36/573490836.db2.gz FNOWBNUHNNSSCU-JQWIXIFHSA-N 0 0 192.233 2.692 10 30 AFEERN Cc1ccc(F)c([C@H](C)CC=O)c1F 258039148 573491075 /nfs/dbraw/zinc/49/10/75/573491075.db2.gz JPHKQWQHOSYHHF-SSDOTTSWSA-N 0 0 198.212 2.966 10 30 AFEERN C[C@@H](CC=O)c1ccc2cc[nH]c2c1 258039180 573491219 /nfs/dbraw/zinc/49/12/19/573491219.db2.gz JQDWJMSPXFXNTR-VIFPVBQESA-N 0 0 187.242 2.860 10 30 AFEERN COc1c(C)ccc(SC)c1C#N 258039102 573491295 /nfs/dbraw/zinc/49/12/95/573491295.db2.gz JOFARNCQKHRVEL-UHFFFAOYSA-N 0 0 193.271 2.597 10 30 AFEERN CC[C@H](C#N)Cc1cccc(OC)c1 259474368 573491309 /nfs/dbraw/zinc/49/13/09/573491309.db2.gz RZFVAEWSPZXZNV-JTQLQIEISA-N 0 0 189.258 2.787 10 30 AFEERN C[C@@H]1CC(=O)C2=C1CC(C)(C)C2 238406880 573491342 /nfs/dbraw/zinc/49/13/42/573491342.db2.gz WMRPRQJAOHEYQD-SSDOTTSWSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC(C)(C)C1(O)CCCCC1 135699417 573491426 /nfs/dbraw/zinc/49/14/26/573491426.db2.gz NQNTWXCHVLJXLU-UHFFFAOYSA-N 0 0 168.280 2.894 10 30 AFEERN COc1cc2sccc2cc1C#N 238408410 573494085 /nfs/dbraw/zinc/49/40/85/573494085.db2.gz HWVPHBZRJHKELN-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN C[C@@H](C#N)NCC(C)(C)C(C)(C)C 258691269 573494298 /nfs/dbraw/zinc/49/42/98/573494298.db2.gz DBLCJJRPECAMTF-VIFPVBQESA-N 0 0 182.311 2.560 10 30 AFEERN C[C@H](C#N)N(C)c1ccc(Cl)cc1 258687700 573494647 /nfs/dbraw/zinc/49/46/47/573494647.db2.gz CVIZRXGBNFCXGN-MRVPVSSYSA-N 0 0 194.665 2.688 10 30 AFEERN Cc1cc2c(CC=O)cccc2s1 258044027 573494661 /nfs/dbraw/zinc/49/46/61/573494661.db2.gz KTQUZTUAZLOWEO-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN C[C@@H]1CCC[C@](C#N)(NC2CC2)CC1 83428322 573499921 /nfs/dbraw/zinc/49/99/21/573499921.db2.gz MLKPTZFKIATXOH-PWSUYJOCSA-N 0 0 192.306 2.601 10 30 AFEERN C[C@H]1CCC[C@](C#N)(NC2CC2)CC1 83428323 573499933 /nfs/dbraw/zinc/49/99/33/573499933.db2.gz MLKPTZFKIATXOH-JQWIXIFHSA-N 0 0 192.306 2.601 10 30 AFEERN C[C@@H]1CCC[C@]2(CC1)CC(=O)C=CO2 83434793 573500035 /nfs/dbraw/zinc/50/00/35/573500035.db2.gz FEZNRBSKGCTWHM-PWSUYJOCSA-N 0 0 194.274 2.829 10 30 AFEERN C[C@H]1CCC[C@@]2(CC1)CC(=O)C=CO2 83434792 573500256 /nfs/dbraw/zinc/50/02/56/573500256.db2.gz FEZNRBSKGCTWHM-CMPLNLGQSA-N 0 0 194.274 2.829 10 30 AFEERN CC1(C)CCC[C@@H]([NH2+]CCC#N)CC1 83435291 573500272 /nfs/dbraw/zinc/50/02/72/573500272.db2.gz DOBMVHCEKXINRF-LLVKDONJSA-N 0 0 194.322 2.849 10 30 AFEERN CC(C)=C1CCC(C)C(=O)C1=O 153363770 573500296 /nfs/dbraw/zinc/50/02/96/573500296.db2.gz SLJOISSFRPVUJK-UHFFFAOYSA-N 0 0 166.220 2.518 10 30 AFEERN C=CCN[C@@]1(C#N)CCC[C@@H](C)CC1 83428386 573500523 /nfs/dbraw/zinc/50/05/23/573500523.db2.gz ARXMALLLWGZPIY-NEPJUHHUSA-N 0 0 192.306 2.625 10 30 AFEERN C[C@@H]1CCC[C@@]2(CC1)CC(=O)C=CO2 83434791 573500589 /nfs/dbraw/zinc/50/05/89/573500589.db2.gz FEZNRBSKGCTWHM-ZYHUDNBSSA-N 0 0 194.274 2.829 10 30 AFEERN C=C(c1ccccc1)[C@H](C)C(C)=O 238418653 573500691 /nfs/dbraw/zinc/50/06/91/573500691.db2.gz UEEBNJPSGARHLC-VIFPVBQESA-N 0 0 174.243 2.925 10 30 AFEERN CC(C)N[C@]1(C#N)CCC[C@H](C)CC1 83428317 573500709 /nfs/dbraw/zinc/50/07/09/573500709.db2.gz VTCQRRPOCMVGFL-NWDGAFQWSA-N 0 0 194.322 2.847 10 30 AFEERN C=C1C=CC[C@@]2(C)CC(=O)CC[C@@H]12 238418677 573500812 /nfs/dbraw/zinc/50/08/12/573500812.db2.gz PQXALZIBYPZUFF-RYUDHWBXSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)[C@@H](C)C(=O)C=C(C)C 238418350 573500915 /nfs/dbraw/zinc/50/09/15/573500915.db2.gz KWHXBAWRPTZQEN-SECBINFHSA-N 0 0 152.237 2.734 10 30 AFEERN COc1c(C#N)cc(C)c(Cl)c1C 258047601 573500947 /nfs/dbraw/zinc/50/09/47/573500947.db2.gz KGHHSDCYLUCASO-UHFFFAOYSA-N 0 0 195.649 2.837 10 30 AFEERN C=CC[C@H](C)[C@H](O)CSC(C)C 714960344 573501045 /nfs/dbraw/zinc/50/10/45/573501045.db2.gz JYKFENNJDUTHHI-VHSXEESVSA-N 0 0 188.336 2.701 10 30 AFEERN CCCN[C@]1(C#N)CCC[C@@H](C)CC1 83428314 573501136 /nfs/dbraw/zinc/50/11/36/573501136.db2.gz CIRMYKFXUZGDME-VXGBXAGGSA-N 0 0 194.322 2.849 10 30 AFEERN CC(C)N[C@@]1(C#N)CCC[C@H](C)CC1 83428319 573501233 /nfs/dbraw/zinc/50/12/33/573501233.db2.gz VTCQRRPOCMVGFL-RYUDHWBXSA-N 0 0 194.322 2.847 10 30 AFEERN C=C[C@]1(C)C[C@H](C)C[C@@H](C)C1=O 238418616 573501290 /nfs/dbraw/zinc/50/12/90/573501290.db2.gz VYSNRYRMCJYPJT-FXPVBKGRSA-N 0 0 166.264 2.814 10 30 AFEERN C/C=C\CCNc1ccccc1C#N 308395841 573508690 /nfs/dbraw/zinc/50/86/90/573508690.db2.gz ZOXHKUBKAZPWRP-IHWYPQMZSA-N 0 0 186.258 2.936 10 30 AFEERN C[C@@H]1CC[C@@H]2[C@@H]1[C@H](C=O)C2(C)C 224218855 573508806 /nfs/dbraw/zinc/50/88/06/573508806.db2.gz FTKNIBWAFYHEGW-DOLQZWNJSA-N 0 0 166.264 2.504 10 30 AFEERN CC(C)(C)[C@H]1CCC[C@](N)(C#N)CC1 83438633 573508861 /nfs/dbraw/zinc/50/88/61/573508861.db2.gz BDYACMBQZCTEAA-CMPLNLGQSA-N 0 0 194.322 2.834 10 30 AFEERN C=C1C[C@@H]2CCCC[C@@]2(C)C1=O 238431435 573509127 /nfs/dbraw/zinc/50/91/27/573509127.db2.gz RLLZQCGBBFVKOM-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1CCC[C@H]([C@@H](C)C=O)C1 238420272 573509415 /nfs/dbraw/zinc/50/94/15/573509415.db2.gz KVDZWDHVPGQUIM-UTLUCORTSA-N 0 0 154.253 2.648 10 30 AFEERN Cc1occ2c1[C@H](C#N)C1(CC2)CC1 259481705 573509420 /nfs/dbraw/zinc/50/94/20/573509420.db2.gz BZYLXJMBHAXXIO-JTQLQIEISA-N 0 0 187.242 2.922 10 30 AFEERN C=C[C@@H]1C[C@]2(C)CCC(=O)C[C@@]12C 238421272 573509434 /nfs/dbraw/zinc/50/94/34/573509434.db2.gz UBDMDALCXDHEOH-USWWRNFRSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@H](C)[C@H](O)Cc1ccccc1 308603702 573519254 /nfs/dbraw/zinc/51/92/54/573519254.db2.gz VRTBJHRMMTVLLV-WCQYABFASA-N 0 0 190.286 2.802 10 30 AFEERN CC(C)CC1(C(C)(C)C#N)COC1 258732908 573519256 /nfs/dbraw/zinc/51/92/56/573519256.db2.gz PNZWVYKXLBUKFV-UHFFFAOYSA-N 0 0 181.279 2.599 10 30 AFEERN CC[C@@H](C)ON=Cc1scnc1C 308400659 573519296 /nfs/dbraw/zinc/51/92/96/573519296.db2.gz GWJBHHKOYKRYPU-SSDOTTSWSA-N 0 0 198.291 2.601 10 30 AFEERN C[C@@H](S)C1(c2cccc(O)c2)CC1 258046598 573519441 /nfs/dbraw/zinc/51/94/41/573519441.db2.gz JSGHEQBYNBQRPN-MRVPVSSYSA-N 0 0 194.299 2.742 10 30 AFEERN Cc1cc(O)ccc1S[C@H](C)C#N 238424386 573519565 /nfs/dbraw/zinc/51/95/65/573519565.db2.gz ZHHSBUINCYWXGF-MRVPVSSYSA-N 0 0 193.271 2.705 10 30 AFEERN CN[C@H](CC#N)c1ccc(Cl)cc1 259483422 573519798 /nfs/dbraw/zinc/51/97/98/573519798.db2.gz QULNRKWSYAJQTB-SNVBAGLBSA-N 0 0 194.665 2.514 10 30 AFEERN CC(C)=C1C(=O)CC(C)(C)[C@H]1C 238432180 573532151 /nfs/dbraw/zinc/53/21/51/573532151.db2.gz HNTYZYBGKKNPOJ-QMMMGPOBSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)SC1(C#N)CCC1 83488317 573532272 /nfs/dbraw/zinc/53/22/72/573532272.db2.gz ICPIRKFQABLPCE-UHFFFAOYSA-N 0 0 155.266 2.574 10 30 AFEERN C=CCCCC(=O)[C@@H](CC)OCC 131788304 573532429 /nfs/dbraw/zinc/53/24/29/573532429.db2.gz DKCZBGZTYWMJCQ-LLVKDONJSA-N 0 0 184.279 2.727 10 30 AFEERN N#CC1(SC2CCCC2)CC1 83500339 573532473 /nfs/dbraw/zinc/53/24/73/573532473.db2.gz MDRKRYLNENIZSG-UHFFFAOYSA-N 0 0 167.277 2.718 10 30 AFEERN C[C@H](c1ccccc1)C(F)(F)C=O 238429830 573532520 /nfs/dbraw/zinc/53/25/20/573532520.db2.gz UVHGKJYOZOTVTQ-MRVPVSSYSA-N 0 0 184.185 2.624 10 30 AFEERN O=CCC[C@H]1CC12CCCC2 211888398 573532549 /nfs/dbraw/zinc/53/25/49/573532549.db2.gz KBMDUXOXEGVJGU-VIFPVBQESA-N 0 0 152.237 2.546 10 30 AFEERN C[C@H](O)CCCC#Cc1ccccc1 238429193 573532578 /nfs/dbraw/zinc/53/25/78/573532578.db2.gz IIVNMXOYVNFUIE-LBPRGKRZSA-N 0 0 188.270 2.589 10 30 AFEERN CC[C@@H](C)SC1(C#N)CCC1 83498099 573532630 /nfs/dbraw/zinc/53/26/30/573532630.db2.gz ZJJKSWZNLZDKDA-MRVPVSSYSA-N 0 0 169.293 2.964 10 30 AFEERN C=C(CC[C@@H](C)O)C(C)(C)C 238429154 573532659 /nfs/dbraw/zinc/53/26/59/573532659.db2.gz SESLVFAJVBNSFH-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN CCc1cc(CCC=O)c(C)cc1F 258053742 573536984 /nfs/dbraw/zinc/53/69/84/573536984.db2.gz KVXQURMBBHQBTB-UHFFFAOYSA-N 0 0 194.249 2.828 10 30 AFEERN C=C(C)O[C@H](CC(C)C)[C@@H](C)CO 393531666 573537075 /nfs/dbraw/zinc/53/70/75/573537075.db2.gz AMRLAQICGOUUMS-WDEREUQCSA-N 0 0 186.295 2.580 10 30 AFEERN CC#CCCC(=O)[C@H](CCC)OCC 131822152 573537233 /nfs/dbraw/zinc/53/72/33/573537233.db2.gz HQHKWHSVROQUCG-LBPRGKRZSA-N 0 0 196.290 2.564 10 30 AFEERN C[C@H]1CC[C@@]23C(=O)C=C[C@@H]2CC[C@@H]13 238431309 573537249 /nfs/dbraw/zinc/53/72/49/573537249.db2.gz AAUVSUFUUUKJEX-QFOLPQNPSA-N 0 0 176.259 2.568 10 30 AFEERN C=C(C)O[C@@H](CC(C)C)[C@@H](C)CO 393531665 573537353 /nfs/dbraw/zinc/53/73/53/573537353.db2.gz AMRLAQICGOUUMS-QWRGUYRKSA-N 0 0 186.295 2.580 10 30 AFEERN CC(C)c1c(C#N)ccnc1Cl 306644208 573537361 /nfs/dbraw/zinc/53/73/61/573537361.db2.gz YWTIVAKCOWBVIR-UHFFFAOYSA-N 0 0 180.638 2.730 10 30 AFEERN CCC[C@H](OCC)C(=O)C=C(C)C 131824275 573537665 /nfs/dbraw/zinc/53/76/65/573537665.db2.gz OLULVIWKAPGVJG-NSHDSACASA-N 0 0 184.279 2.727 10 30 AFEERN C[C@@H]1CC=C[C@@](C)(CC=O)C1 238430749 573537809 /nfs/dbraw/zinc/53/78/09/573537809.db2.gz PFYIQULYHQALTG-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C(=O)C=C[C@]2(C)CCCC[C@@H]12 238431258 573537855 /nfs/dbraw/zinc/53/78/55/573537855.db2.gz OPLJAIPSAPUYNJ-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CC1(C)O[C@H]1c1ccccc1F 259494410 573537862 /nfs/dbraw/zinc/53/78/62/573537862.db2.gz ZFCGPMRILZVQFM-VIFPVBQESA-N 0 0 166.195 2.676 10 30 AFEERN CCC/C=C/CC(=NO)[C@H](O)CCC 308616340 573537986 /nfs/dbraw/zinc/53/79/86/573537986.db2.gz ANRBUZFNKDJONX-GTDISVERSA-N 0 0 199.294 2.724 10 30 AFEERN C=C1C[C@@H]2CCC(=O)[C@H](C)[C@@]2(C)C1 238433767 573538097 /nfs/dbraw/zinc/53/80/97/573538097.db2.gz WVMOECGLSCNRAX-JBLDHEPKSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@]12CCCC[C@H]1C(O)=C(C=O)CC2 238431278 573538234 /nfs/dbraw/zinc/53/82/34/573538234.db2.gz COAXMJSTRSKGHP-JDQIMWGRSA-N 0 0 194.274 2.988 10 30 AFEERN Cc1cccc(C2(C=O)CC(F)C2)c1 257829217 573538246 /nfs/dbraw/zinc/53/82/46/573538246.db2.gz IPZBUZPANUMFJU-UHFFFAOYSA-N 0 0 192.233 2.564 10 30 AFEERN C=C(C)/C=C(/OCC)[C@@H](O)C(C)(C)C 308617934 573538250 /nfs/dbraw/zinc/53/82/50/573538250.db2.gz BNBUWCVCCURRGZ-RJCSOLBVSA-N 0 0 198.306 2.890 10 30 AFEERN Cc1noc(C#N)c1-c1ccccc1 259501411 573546215 /nfs/dbraw/zinc/54/62/15/573546215.db2.gz UUVIRWMMWONXCR-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C[C@]12CCCC[C@H]1C(O)=C(C=O)CC2 308619088 573546278 /nfs/dbraw/zinc/54/62/78/573546278.db2.gz COAXMJSTRSKGHP-SEOINYINSA-N 0 0 194.274 2.988 10 30 AFEERN C=C(C)CC[C@@H]1C(=O)CC[C@H]1C 238435576 573546282 /nfs/dbraw/zinc/54/62/82/573546282.db2.gz IIWBDYVMONZJFP-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN N#CCCC1(C2CCCCC2)COC1 258767904 573546332 /nfs/dbraw/zinc/54/63/32/573546332.db2.gz SXYYXDFCKPAWOV-UHFFFAOYSA-N 0 0 193.290 2.887 10 30 AFEERN C[C@]12CCCC[C@@H]1C(O)=C(C=O)CC2 308619095 573546348 /nfs/dbraw/zinc/54/63/48/573546348.db2.gz COAXMJSTRSKGHP-VCXMCINHSA-N 0 0 194.274 2.988 10 30 AFEERN C=C[C@@](C)(/C=C\CO)c1ccccc1 308618922 573546450 /nfs/dbraw/zinc/54/64/50/573546450.db2.gz CFLLNUJSMCISTF-SZNGSJQDSA-N 0 0 188.270 2.679 10 30 AFEERN C=C[C@@H](C)[C@H](C=O)C(C)(C)C 238436712 573546567 /nfs/dbraw/zinc/54/65/67/573546567.db2.gz GOCVXHIZXKMJDZ-BDAKNGLRSA-N 0 0 154.253 2.670 10 30 AFEERN CCC=C(C)C(=O)C(=O)C(C)CCC 308626135 573546618 /nfs/dbraw/zinc/54/66/18/573546618.db2.gz LVIVBRJWWKAIDQ-WSQKDJNVSA-N 0 0 196.290 2.629 10 30 AFEERN C[C@@H]1[C@@H](c2ccccc2)[C@@]1(C)C=O 238436310 573546621 /nfs/dbraw/zinc/54/66/21/573546621.db2.gz WSAHOLQIKGXVSR-USWWRNFRSA-N 0 0 174.243 2.625 10 30 AFEERN C=C(CO)[C@@H](C)[C@@H]1CC=C(C)CC1 238435911 573546692 /nfs/dbraw/zinc/54/66/92/573546692.db2.gz NMAGZEZTKQAXQF-VXGBXAGGSA-N 0 0 180.291 2.917 10 30 AFEERN CCC=C(C)C(=O)C(=O)C(C)CCC 308626136 573546695 /nfs/dbraw/zinc/54/66/95/573546695.db2.gz LVIVBRJWWKAIDQ-YEFLIOATSA-N 0 0 196.290 2.629 10 30 AFEERN C[C@]12CC[C@]1(C)C[C@H]1CC(=O)C=C12 238436711 573546714 /nfs/dbraw/zinc/54/67/14/573546714.db2.gz HNJWAMWAKQFTKJ-GGZOMVNGSA-N 0 0 176.259 2.712 10 30 AFEERN C[C@@H]1C#CCCCC=CCCC[C@H]1O 308626111 573546739 /nfs/dbraw/zinc/54/67/39/573546739.db2.gz LPXZAOUKAHFYFG-CHWSQXEVSA-N 0 0 192.302 2.897 10 30 AFEERN CC[C@]1(c2cccc(C)c2)C[C@H]1C=O 257824834 573546787 /nfs/dbraw/zinc/54/67/87/573546787.db2.gz GZZMOMZTRRNXEX-QWHCGFSZSA-N 0 0 188.270 2.862 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1C=O 238435655 573546826 /nfs/dbraw/zinc/54/68/26/573546826.db2.gz STELUGDLXCFBSO-MXWKQRLJSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@H]1CC[C@H](C(C)=O)[C@@H]1C 238438064 573550207 /nfs/dbraw/zinc/55/02/07/573550207.db2.gz VCONEMSMPCZKGZ-MIMYLULJSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@H]1C[C@H](C)C(=O)C1(C)C 238438058 573549605 /nfs/dbraw/zinc/54/96/05/573549605.db2.gz OTNBEHZGWGSJHF-IUCAKERBSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@H]1[C@@H](CC=O)CCC1(C)C 238438197 573549614 /nfs/dbraw/zinc/54/96/14/573549614.db2.gz IQVNPNPWXMCACK-RKDXNWHRSA-N 0 0 154.253 2.648 10 30 AFEERN CCCC[C@@H](O)/C=C1\CCCCC1=O 308628212 573549673 /nfs/dbraw/zinc/54/96/73/573549673.db2.gz PVQMHLDSFNXMLB-PBQZMEPESA-N 0 0 196.290 2.607 10 30 AFEERN CCCCCOc1ccnc(C#N)c1 61815407 573549706 /nfs/dbraw/zinc/54/97/06/573549706.db2.gz PLCKSBOODGJOSR-UHFFFAOYSA-N 0 0 190.246 2.522 10 30 AFEERN C[C@H]1c2ccccc2CC[C@@H]1CC=O 238438229 573549756 /nfs/dbraw/zinc/54/97/56/573549756.db2.gz RLOXSIQAALNRSV-GHMZBOCLSA-N 0 0 188.270 2.942 10 30 AFEERN C=C[C@@H](c1ccccc1)[C@@H](O)C(=C)C 308630648 573549882 /nfs/dbraw/zinc/54/98/82/573549882.db2.gz UDOPVUFANPFZLI-STQMWFEESA-N 0 0 188.270 2.893 10 30 AFEERN CCCCCC(=O)/C=C\CCCCO 308629241 573549926 /nfs/dbraw/zinc/54/99/26/573549926.db2.gz RPQXHCLTHKZQCV-YFHOEESVSA-N 0 0 198.306 2.855 10 30 AFEERN CC(C)(C)C(=O)/C=C\[C@H](O)C(C)(C)C 308629096 573549991 /nfs/dbraw/zinc/54/99/91/573549991.db2.gz RCNBDZZXLOIENL-FUOZMLNRSA-N 0 0 198.306 2.565 10 30 AFEERN C=C1C[C@@H]2CCC(=O)[C@H](C)[C@@H]2C1 238436988 573550067 /nfs/dbraw/zinc/55/00/67/573550067.db2.gz YNCUBLHFDOJXNW-UTLUCORTSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)C[C@H]1CCCC(=O)[C@@H]1C 238437408 573550141 /nfs/dbraw/zinc/55/01/41/573550141.db2.gz BWTJGAOUKMJEAM-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@H]1CCCC(=O)[C@@H]1C 238438500 573554749 /nfs/dbraw/zinc/55/47/49/573554749.db2.gz SIAYSIDGVNAQDS-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@]1(C)C(=O)[C@@H](C)CC[C@@H]1C 238438934 573554855 /nfs/dbraw/zinc/55/48/55/573554855.db2.gz YAPOOORHBZTMHA-QXEWZRGKSA-N 0 0 166.264 2.814 10 30 AFEERN CCO[C@@](C)(C=O)CC1CCCC1 257830222 573554899 /nfs/dbraw/zinc/55/48/99/573554899.db2.gz JDZMQDKPFQIUFS-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN N#CC1(c2nc3ccccc3[nH]2)CCC1 259506173 573554902 /nfs/dbraw/zinc/55/49/02/573554902.db2.gz QQMDTBVKXUEXRH-UHFFFAOYSA-N 0 0 197.241 2.508 10 30 AFEERN FC(F)(F)C#Cc1cccs1 197049928 573554968 /nfs/dbraw/zinc/55/49/68/573554968.db2.gz ZTAFSSPQWMDVHX-UHFFFAOYSA-N 0 0 176.162 2.662 10 30 AFEERN C=C[C@@H](C)c1cc(C)[nH]c1C 238439065 573555162 /nfs/dbraw/zinc/55/51/62/573555162.db2.gz PLFJCAOGXKFMPO-SSDOTTSWSA-N 0 0 149.237 2.921 10 30 AFEERN C=CCC[C@@H](C)Nc1ccnn1CC 308620641 573555179 /nfs/dbraw/zinc/55/51/79/573555179.db2.gz SWLATYXZBMJOAJ-SNVBAGLBSA-N 0 0 193.294 2.670 10 30 AFEERN CC(O)=C1C[C@H](C)CCC1=S 238438521 573555290 /nfs/dbraw/zinc/55/52/90/573555290.db2.gz SVTIPTLTDVQRIU-ZCFIWIBFSA-N 0 0 170.277 2.579 10 30 AFEERN C=C[C@@H](C)[C@@]1(C)C=CC(=O)CC1 238438532 573555434 /nfs/dbraw/zinc/55/54/34/573555434.db2.gz YNWKZASLXINEOV-KOLCDFICSA-N 0 0 164.248 2.734 10 30 AFEERN CC1=C(C)[C@H](C)C(C)(C)C1=O 238439188 573555466 /nfs/dbraw/zinc/55/54/66/573555466.db2.gz VALOYCFVVPYUOZ-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C[Si](C)(C)C#CC1=CC(=O)CCC1 197054344 573560102 /nfs/dbraw/zinc/56/01/02/573560102.db2.gz HIGCZGKLLBSVTF-UHFFFAOYSA-N 0 0 192.334 2.547 10 30 AFEERN CCO[C@@](C)(CC=O)CC1CCCC1 257830791 573560151 /nfs/dbraw/zinc/56/01/51/573560151.db2.gz HGRSZWDWYZOTPI-LBPRGKRZSA-N 0 0 198.306 2.951 10 30 AFEERN Cc1cc([C@H](C)CC=O)c(F)cc1F 258061958 573560227 /nfs/dbraw/zinc/56/02/27/573560227.db2.gz LOZIGPIHGHBYPQ-SSDOTTSWSA-N 0 0 198.212 2.966 10 30 AFEERN CO[C@](C)(C=O)CC1CCCCC1 257830596 573560269 /nfs/dbraw/zinc/56/02/69/573560269.db2.gz JIBDBXBYXRYOCG-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN CCO[C@](C)(CC=O)CC1CCCC1 257830789 573560333 /nfs/dbraw/zinc/56/03/33/573560333.db2.gz HGRSZWDWYZOTPI-GFCCVEGCSA-N 0 0 198.306 2.951 10 30 AFEERN C[C@@H](CCC#N)C(C)(C)C 107396335 573560381 /nfs/dbraw/zinc/56/03/81/573560381.db2.gz IVILIYCTDAKDGV-QMMMGPOBSA-N 0 0 139.242 2.972 10 30 AFEERN N#C[C@@H]1[C@H](C2CC2)C12CCCC2 259509592 573560408 /nfs/dbraw/zinc/56/04/08/573560408.db2.gz BUAZLHGRAMNKMT-ZJUUUORDSA-N 0 0 161.248 2.726 10 30 AFEERN C[C@H]1CC(=O)C2=C1CC[C@@H](C)C2 238440183 573560543 /nfs/dbraw/zinc/56/05/43/573560543.db2.gz WUMGJDIHDFUJTH-SFYZADRCSA-N 0 0 164.248 2.712 10 30 AFEERN C/C=C/C=C\C#C/C=C/[C@H](O)CCC 308621450 573560584 /nfs/dbraw/zinc/56/05/84/573560584.db2.gz FZPXPMLIFZJOGH-MJEKPSMPSA-N 0 0 190.286 2.839 10 30 AFEERN C=C(C)[C@H]1CCCC1=C 224308989 573560695 /nfs/dbraw/zinc/56/06/95/573560695.db2.gz ZQPMMOIQDZZNIV-SECBINFHSA-N 0 0 122.211 2.919 10 30 AFEERN Cc1cc([C@@H](C)CC=O)c(F)cc1F 258061960 573560703 /nfs/dbraw/zinc/56/07/03/573560703.db2.gz LOZIGPIHGHBYPQ-ZETCQYMHSA-N 0 0 198.212 2.966 10 30 AFEERN C=C[C@]1(C)C(=C)C(=O)CC[C@H]1C 238432265 573565341 /nfs/dbraw/zinc/56/53/41/573565341.db2.gz JGODYMYZQHWKLE-KCJUWKMLSA-N 0 0 164.248 2.734 10 30 AFEERN N#CCCN1CC2(CCCCCC2)C1 86681355 573565375 /nfs/dbraw/zinc/56/53/75/573565375.db2.gz DEAXVKWUXBBZDQ-UHFFFAOYSA-N 0 0 192.306 2.556 10 30 AFEERN CC[C@H](C#N)n1c(C)ccc1C 86681132 573565458 /nfs/dbraw/zinc/56/54/58/573565458.db2.gz RSJHSHFTNMZPKU-SNVBAGLBSA-N 0 0 162.236 2.580 10 30 AFEERN C=CCCC1=CC(=O)CC[C@H]1C 238432828 573565468 /nfs/dbraw/zinc/56/54/68/573565468.db2.gz POFSTEVWCLEKOY-SECBINFHSA-N 0 0 164.248 2.878 10 30 AFEERN Cc1ccc(C)c([C@@H]2O[C@@H]2C)c1 258779556 573565559 /nfs/dbraw/zinc/56/55/59/573565559.db2.gz LVWGTAHFOBRYHU-MWLCHTKSSA-N 0 0 162.232 2.763 10 30 AFEERN Cc1ccc(C)c([C@H]2O[C@H]2C)c1 258779561 573565700 /nfs/dbraw/zinc/56/57/00/573565700.db2.gz LVWGTAHFOBRYHU-ONGXEEELSA-N 0 0 162.232 2.763 10 30 AFEERN C[C@@H](O)/C=C\CC1(C#N)CCCCC1 308623677 573565717 /nfs/dbraw/zinc/56/57/17/573565717.db2.gz IEXZFGFWBKNBIT-ISALQUGTSA-N 0 0 193.290 2.788 10 30 AFEERN C=C1C=C(C)CC(C)(C)[C@@H]1[C@@H](C)O 238432570 573565805 /nfs/dbraw/zinc/56/58/05/573565805.db2.gz VNPCAWDUTLTLRQ-MNOVXSKESA-N 0 0 180.291 2.916 10 30 AFEERN CCCC1(CCC)CN(CCC#N)C1 86681366 573565978 /nfs/dbraw/zinc/56/59/78/573565978.db2.gz XKIDNRNRTPYAON-UHFFFAOYSA-N 0 0 194.322 2.802 10 30 AFEERN Cc1ccccc1[C@H]1CC[C@H]1C=O 257831162 573565993 /nfs/dbraw/zinc/56/59/93/573565993.db2.gz JNWRUJSHNHNPFD-JQWIXIFHSA-N 0 0 174.243 2.688 10 30 AFEERN C=C1[C@H](C=O)CCC(C)(C)[C@H]1C 238432403 573566000 /nfs/dbraw/zinc/56/60/00/573566000.db2.gz IVXXIDDXDLVBJQ-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1ccc(C)n1[C@H]1CCC[C@@H]1C#N 86681582 573566018 /nfs/dbraw/zinc/56/60/18/573566018.db2.gz MUPKGJYLQOKTJZ-NEPJUHHUSA-N 0 0 188.274 2.970 10 30 AFEERN CC[C@@H](C#N)n1c(C)ccc1C 86681130 573566051 /nfs/dbraw/zinc/56/60/51/573566051.db2.gz RSJHSHFTNMZPKU-JTQLQIEISA-N 0 0 162.236 2.580 10 30 AFEERN C[C@@H]1CCC(=O)C2=CCC[C@@]21C 238432770 573568439 /nfs/dbraw/zinc/56/84/39/573568439.db2.gz SENQSIGKXXIASQ-LDYMZIIASA-N 0 0 164.248 2.712 10 30 AFEERN CCC[C@H](C#N)n1c(C)ccc1C 86681141 573568503 /nfs/dbraw/zinc/56/85/03/573568503.db2.gz CQWHSQPOCKXQKD-LLVKDONJSA-N 0 0 176.263 2.970 10 30 AFEERN C=CCCC/C=C\CO[C@@H](C)CCO 308625581 573568636 /nfs/dbraw/zinc/56/86/36/573568636.db2.gz KUDYOQFGJUFNCL-KRZKBDHCSA-N 0 0 198.306 2.686 10 30 AFEERN C=C(C)[C@@H](O)/C=C\CCc1ccco1 308623389 573568674 /nfs/dbraw/zinc/56/86/74/573568674.db2.gz IAPXQTZAPJNDPR-LDJOOVGUSA-N 0 0 192.258 2.705 10 30 AFEERN Cc1ccc(C)c([C@H]2O[C@@H]2C)c1 258779554 573568738 /nfs/dbraw/zinc/56/87/38/573568738.db2.gz LVWGTAHFOBRYHU-KOLCDFICSA-N 0 0 162.232 2.763 10 30 AFEERN CC[C@@H](C#N)[C@@H](N)c1cccc(C)c1 259512331 573568750 /nfs/dbraw/zinc/56/87/50/573568750.db2.gz RQMSTWKKLNXALI-CMPLNLGQSA-N 0 0 188.274 2.545 10 30 AFEERN CC[C@@H](CC#N)n1c(C)ccc1C 86681496 573568856 /nfs/dbraw/zinc/56/88/56/573568856.db2.gz MAVRVQZVCUQOEN-NSHDSACASA-N 0 0 176.263 2.970 10 30 AFEERN CC[C@@H](C#N)[C@H](N)c1cccc(C)c1 259512332 573568906 /nfs/dbraw/zinc/56/89/06/573568906.db2.gz RQMSTWKKLNXALI-JQWIXIFHSA-N 0 0 188.274 2.545 10 30 AFEERN C[C@@H](CC#N)N1CC2(CCCCC2)C1 86681199 573568949 /nfs/dbraw/zinc/56/89/49/573568949.db2.gz JPQRFBSCXNASGF-NSHDSACASA-N 0 0 192.306 2.555 10 30 AFEERN C=C1CCCC=CCCC#C[C@@H](O)C1 308625277 573568989 /nfs/dbraw/zinc/56/89/89/573568989.db2.gz KFQZYTQTLRBMRF-CYBMUJFWSA-N 0 0 190.286 2.817 10 30 AFEERN C=CCCC/C=C\CO[C@@H](CC)CO 308633385 573569871 /nfs/dbraw/zinc/56/98/71/573569871.db2.gz WTVMJQCGANNZJL-LAUAKBEESA-N 0 0 198.306 2.686 10 30 AFEERN Cc1noc(C)c1CC1(CC#N)CC1 259514272 573569882 /nfs/dbraw/zinc/56/98/82/573569882.db2.gz AGCAMPXSRHIPCJ-UHFFFAOYSA-N 0 0 190.246 2.528 10 30 AFEERN Cc1ccc(C)n1[C@H](C)CC#N 86681213 573569958 /nfs/dbraw/zinc/56/99/58/573569958.db2.gz BOUMIVAZQARGHJ-SNVBAGLBSA-N 0 0 162.236 2.580 10 30 AFEERN CC(=O)/C=C/c1ccc2[nH]ccc2c1 145147919 573570083 /nfs/dbraw/zinc/57/00/83/573570083.db2.gz GZFUNESZCZCIFV-NSCUHMNNSA-N 0 0 185.226 2.770 10 30 AFEERN Cc1ccc(C)n1[C@@H]1CCC[C@H]1C#N 86681588 573570098 /nfs/dbraw/zinc/57/00/98/573570098.db2.gz MUPKGJYLQOKTJZ-NWDGAFQWSA-N 0 0 188.274 2.970 10 30 AFEERN Cc1ccc(C)n1[C@@H](C)CC#N 86681211 573570343 /nfs/dbraw/zinc/57/03/43/573570343.db2.gz BOUMIVAZQARGHJ-JTQLQIEISA-N 0 0 162.236 2.580 10 30 AFEERN C=C(C)CC#CC[C@@H](O)/C=C/C=C\C 308623668 573570347 /nfs/dbraw/zinc/57/03/47/573570347.db2.gz IDIYFFJHOLKGPQ-OFGDQTONSA-N 0 0 190.286 2.839 10 30 AFEERN C[C@H](C=O)[C@@]1(C)C=CCCC1 238444195 573573283 /nfs/dbraw/zinc/57/32/83/573573283.db2.gz RNKLMFWEYPONLN-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cnc(-c2ccc(C#N)s2)o1 259514269 573573288 /nfs/dbraw/zinc/57/32/88/573573288.db2.gz AFXQEAMFMBSWDU-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C[C@H](CC=O)c1ccc(F)c(F)c1 258064723 573573402 /nfs/dbraw/zinc/57/34/02/573573402.db2.gz LQGZQBHJJKGYNY-SSDOTTSWSA-N 0 0 184.185 2.657 10 30 AFEERN CC[C@@H](C)CON=C1CC2(CC2)C1 393537429 573573428 /nfs/dbraw/zinc/57/34/28/573573428.db2.gz BGDMFOCJGRYSQN-SECBINFHSA-N 0 0 181.279 2.979 10 30 AFEERN N#C[C@H]1C[C@H]1c1ccc(F)cc1F 259114030 573573470 /nfs/dbraw/zinc/57/34/70/573573470.db2.gz KSKUEPBPWXOHHC-HZGVNTEJSA-N 0 0 179.169 2.592 10 30 AFEERN CCOc1cccc([C@H]2O[C@@H]2C)c1 258783236 573573520 /nfs/dbraw/zinc/57/35/20/573573520.db2.gz MBYFVDAVFZNGCA-KCJUWKMLSA-N 0 0 178.231 2.545 10 30 AFEERN C=C[C@@H](O)CCCCC(=O)[C@@H](C)CC 308634369 573573593 /nfs/dbraw/zinc/57/35/93/573573593.db2.gz XHDDFUHXRSMOKQ-WDEREUQCSA-N 0 0 198.306 2.709 10 30 AFEERN CCOc1cccc([C@H]2O[C@H]2C)c1 258783238 573573768 /nfs/dbraw/zinc/57/37/68/573573768.db2.gz MBYFVDAVFZNGCA-KWQFWETISA-N 0 0 178.231 2.545 10 30 AFEERN C=C[C@@]1(C)C(=O)CCC[C@H]1C 238444504 573577021 /nfs/dbraw/zinc/57/70/21/573577021.db2.gz WBLGDOJIZXHPMO-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1O[C@H]1c1c[nH]c2ccccc12 258792328 573577156 /nfs/dbraw/zinc/57/71/56/573577156.db2.gz MQLDDTQSIFZZOC-RDDDGLTNSA-N 0 0 173.215 2.628 10 30 AFEERN C[C@@H]1CC[C@@H]2CCC(=O)C=C2[C@@H]1C 238444764 573577188 /nfs/dbraw/zinc/57/71/88/573577188.db2.gz CSXWAWYEAMXMJW-OPRDCNLKSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H]1O[C@@H]1c1c[nH]c2ccccc12 258792324 573577267 /nfs/dbraw/zinc/57/72/67/573577267.db2.gz MQLDDTQSIFZZOC-HQJQHLMTSA-N 0 0 173.215 2.628 10 30 AFEERN C[C@@H]1CC[C@@H]2C=CC(=O)[C@@]2(C)C1 238444538 573577344 /nfs/dbraw/zinc/57/73/44/573577344.db2.gz JWSJFLXAIUPQNL-KKZNHRDASA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@H]1CC[C@@H]2CCC(=O)C=C2C1 238444746 573577567 /nfs/dbraw/zinc/57/75/67/573577567.db2.gz FECHSQZMGDQJOD-RKDXNWHRSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@@H]1CC[C@@H](C)CC(=O)C1 238441952 573584215 /nfs/dbraw/zinc/58/42/15/573584215.db2.gz QNXUJTLZRFSPIP-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CCC[C@@H](C)[C@]12C=CC(=O)C2 238441725 573584249 /nfs/dbraw/zinc/58/42/49/573584249.db2.gz GJUUCRAFOIFWFU-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H]1CCC=C2C(=O)C=CC[C@]21C 238442453 573584306 /nfs/dbraw/zinc/58/43/06/573584306.db2.gz QXPBHUZBAWESPA-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@H](CC)OC(=O)/C=C/C(C)C 308402867 573584362 /nfs/dbraw/zinc/58/43/62/573584362.db2.gz HZPUBGUQAIRXOX-QROSGCPLSA-N 0 0 182.263 2.706 10 30 AFEERN C=C1[C@@H](C)[C@H]2CC(=O)[C@@H]1CC2(C)C 238441886 573584405 /nfs/dbraw/zinc/58/44/05/573584405.db2.gz GZLOWTZSFZPZHN-OPRDCNLKSA-N 0 0 178.275 2.814 10 30 AFEERN Cc1[nH]c2ccccc2c1N[C@@H](C)C#N 258798500 573583699 /nfs/dbraw/zinc/58/36/99/573583699.db2.gz NBDNFQKIHGFIDX-QMMMGPOBSA-N 0 0 199.257 2.800 10 30 AFEERN C#C[C@H](O)C(C)(C)CC1=CCC[C@H]1C 238442314 573583727 /nfs/dbraw/zinc/58/37/27/573583727.db2.gz KUGVUMAWWSMOJF-PWSUYJOCSA-N 0 0 192.302 2.753 10 30 AFEERN Cc1[nH]c2ccccc2c1N[C@H](C)C#N 258798496 573583806 /nfs/dbraw/zinc/58/38/06/573583806.db2.gz NBDNFQKIHGFIDX-MRVPVSSYSA-N 0 0 199.257 2.800 10 30 AFEERN C=C1C[C@@H]2[C@H](C)C(=O)C[C@@]2(C)C1 238441785 573583996 /nfs/dbraw/zinc/58/39/96/573583996.db2.gz ROEOEDPTBWHQIM-IQJOONFLSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@H]1CCC=C1CC(C)(C)C=O 238442280 573584099 /nfs/dbraw/zinc/58/40/99/573584099.db2.gz FYROTDVJDQBTEY-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)[C@@]1(CC=O)C(C)=CCC[C@H]1C 238441696 573584109 /nfs/dbraw/zinc/58/41/09/573584109.db2.gz QUNKDFZDTRIWGM-PWSUYJOCSA-N 0 0 194.274 2.527 10 30 AFEERN C[C@@H]1CCC=C2C(=O)C=CC[C@@]21C 238442462 573584132 /nfs/dbraw/zinc/58/41/32/573584132.db2.gz QXPBHUZBAWESPA-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@H]1[C@@H](C=O)C(C)(C)C1(C)C 238442687 573585954 /nfs/dbraw/zinc/58/59/54/573585954.db2.gz FGCRAVWMBOYPGB-JGVFFNPUSA-N 0 0 154.253 2.504 10 30 AFEERN C#CCC(C)(C)[C@H](O)C1=CCC[C@H]1C 238442400 573586153 /nfs/dbraw/zinc/58/61/53/573586153.db2.gz LMNNEIXZTWILKC-ZYHUDNBSSA-N 0 0 192.302 2.753 10 30 AFEERN CC1=CCC[C@@H](C)[C@@]12CC=CC2=O 238441757 573586441 /nfs/dbraw/zinc/58/64/41/573586441.db2.gz XLGLZAKRALOUKF-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CC[C@@H](C#N)CC1CCC1 259519767 573587531 /nfs/dbraw/zinc/58/75/31/573587531.db2.gz VSDWRTKHDWBUSE-MRVPVSSYSA-N 0 0 137.226 2.726 10 30 AFEERN N#C[C@@H](C(F)F)C1CCCCC1 257833648 573587614 /nfs/dbraw/zinc/58/76/14/573587614.db2.gz KLGMMRLPQSOVBA-MRVPVSSYSA-N 0 0 173.206 2.972 10 30 AFEERN CN(CCC1CCCC1)C(C)(C)C#N 258798426 573587632 /nfs/dbraw/zinc/58/76/32/573587632.db2.gz NANDPQYYESDXIN-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN Cc1ccc([C@@H]2CC[C@H]2C=O)cc1 257833642 573588062 /nfs/dbraw/zinc/58/80/62/573588062.db2.gz KLBKMMGMWSNEJR-RYUDHWBXSA-N 0 0 174.243 2.688 10 30 AFEERN Cc1cccc([C@](C)(C#N)CC#N)c1 259518932 573590412 /nfs/dbraw/zinc/59/04/12/573590412.db2.gz KSRHNCGGCMBSQS-LBPRGKRZSA-N 0 0 184.242 2.690 10 30 AFEERN C=C(C)C[C@H]1CCCC(=O)[C@H]1C 238443142 573590484 /nfs/dbraw/zinc/59/04/84/573590484.db2.gz BWTJGAOUKMJEAM-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H](C=O)[C@H](C)C(C)(C)C 238443068 573590493 /nfs/dbraw/zinc/59/04/93/573590493.db2.gz QHIYWEKIXDBXBV-SFYZADRCSA-N 0 0 142.242 2.504 10 30 AFEERN N#CC[C@@H]1CC[C@@H](c2ccc(N)o2)C1 259520808 573590606 /nfs/dbraw/zinc/59/06/06/573590606.db2.gz AXKGBSONALLYLZ-DTWKUNHWSA-N 0 0 190.246 2.659 10 30 AFEERN C=C(C)C[C@H]1C(=O)CCC[C@H]1C 238443800 573590649 /nfs/dbraw/zinc/59/06/49/573590649.db2.gz YBKVMXRBTYKTCO-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H]1CC(=O)CCC[C@H]1C 238443598 573590788 /nfs/dbraw/zinc/59/07/88/573590788.db2.gz QOUOLIIPZIUMEY-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC=O)Cc1ccccc1C 258063849 573592138 /nfs/dbraw/zinc/59/21/38/573592138.db2.gz DWZCFRGHBMWHGY-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN N#C[C@H]1C[C@H]1c1cc(F)ccc1F 259134903 573592169 /nfs/dbraw/zinc/59/21/69/573592169.db2.gz LYPCWDMLRZUMAD-HTRCEHHLSA-N 0 0 179.169 2.592 10 30 AFEERN CCC(C=NOC)(CC)CC 393538782 573592224 /nfs/dbraw/zinc/59/22/24/573592224.db2.gz CFZYORRGVVIQPK-UHFFFAOYSA-N 0 0 157.257 2.835 10 30 AFEERN N#CC[C@H]1CC[C@@H](c2ccc(N)o2)C1 259520810 573592257 /nfs/dbraw/zinc/59/22/57/573592257.db2.gz AXKGBSONALLYLZ-RKDXNWHRSA-N 0 0 190.246 2.659 10 30 AFEERN N#CC[C@H]1CC[C@H](c2ccc(N)o2)C1 259520807 573592265 /nfs/dbraw/zinc/59/22/65/573592265.db2.gz AXKGBSONALLYLZ-BDAKNGLRSA-N 0 0 190.246 2.659 10 30 AFEERN N#C[C@H]1CCc2c([nH]c3ccccc23)C1 257833806 573592328 /nfs/dbraw/zinc/59/23/28/573592328.db2.gz KFHPGGYGOBNXBO-VIFPVBQESA-N 0 0 196.253 2.796 10 30 AFEERN C[C@H](CC#N)C(C)(C)C 75521788 573592497 /nfs/dbraw/zinc/59/24/97/573592497.db2.gz INIVSIWQEQEWLR-SSDOTTSWSA-N 0 0 125.215 2.582 10 30 AFEERN N#C[C@H]1C[C@@H]1c1cc(F)ccc1F 259134909 573592565 /nfs/dbraw/zinc/59/25/65/573592565.db2.gz LYPCWDMLRZUMAD-SVRRBLITSA-N 0 0 179.169 2.592 10 30 AFEERN CCCC(=NOCC1CC1)C1CC1 308405680 573592592 /nfs/dbraw/zinc/59/25/92/573592592.db2.gz LNSFLNSNFKOYFC-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C=C[C@H]1[C@@H](C)C(=O)CCC1(C)C 238456261 573592649 /nfs/dbraw/zinc/59/26/49/573592649.db2.gz KDLWOLXOFSATQD-BDAKNGLRSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@H]1CCC[C@@]2(C)C(=O)C=CC=C12 238455512 573592658 /nfs/dbraw/zinc/59/26/58/573592658.db2.gz RXWUGVVXMIDGSZ-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCCC(=O)[C@@]1(C)C[C@@H]1C 238456289 573592728 /nfs/dbraw/zinc/59/27/28/573592728.db2.gz SHRDTHBREYKMAK-WPRPVWTQSA-N 0 0 152.237 2.568 10 30 AFEERN N#CC[C@H](O)c1ccc(C(F)F)cc1 124712057 573592796 /nfs/dbraw/zinc/59/27/96/573592796.db2.gz YQPQNCINXUXTMT-VIFPVBQESA-N 0 0 197.184 2.571 10 30 AFEERN C[C@H]1CCC[C@]12C=CC(=O)CC2 238455333 573592818 /nfs/dbraw/zinc/59/28/18/573592818.db2.gz HTUYEHHCKVMKJF-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN N#C[C@@H]1C[C@H]1c1cc(F)ccc1F 259134905 573594106 /nfs/dbraw/zinc/59/41/06/573594106.db2.gz LYPCWDMLRZUMAD-POYBYMJQSA-N 0 0 179.169 2.592 10 30 AFEERN N#Cc1csc(-c2cccnc2)c1 259520534 573594201 /nfs/dbraw/zinc/59/42/01/573594201.db2.gz SIAHZLAJWLRWPP-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN CC[C@H](C#N)N1CCCC(C)(C)CC1 83680503 573594239 /nfs/dbraw/zinc/59/42/39/573594239.db2.gz FYSVTIMVMBYWMN-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN C[C@@H](CC#N)C(C)(C)C 75521781 573594351 /nfs/dbraw/zinc/59/43/51/573594351.db2.gz INIVSIWQEQEWLR-ZETCQYMHSA-N 0 0 125.215 2.582 10 30 AFEERN CC[C@](C)(C=O)C(C)(C)C 75528902 573598176 /nfs/dbraw/zinc/59/81/76/573598176.db2.gz WXYAMHDUGDTPSY-SECBINFHSA-N 0 0 142.242 2.648 10 30 AFEERN N#CCC[C@@]1(C=O)CCCC=C1Cl 198351545 573598247 /nfs/dbraw/zinc/59/82/47/573598247.db2.gz VPDXQUJHQDERCB-SNVBAGLBSA-N 0 0 197.665 2.782 10 30 AFEERN CC(C)C[C@@H](C)CCC#N 75527271 573598258 /nfs/dbraw/zinc/59/82/58/573598258.db2.gz VHTOQNYEKFLXML-VIFPVBQESA-N 0 0 139.242 2.972 10 30 AFEERN O=C[C@@H]1CCSc2ccc(F)cc21 107432472 573598503 /nfs/dbraw/zinc/59/85/03/573598503.db2.gz BGCQFQBTRBQUIO-ZETCQYMHSA-N 0 0 196.246 2.604 10 30 AFEERN O/N=C(/Cl)c1coc2ccccc12 236386906 573598513 /nfs/dbraw/zinc/59/85/13/573598513.db2.gz DUDAGJCLFQVRLA-PKNBQFBNSA-N 0 0 195.605 2.807 10 30 AFEERN C=C(C)[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1 235622291 573598628 /nfs/dbraw/zinc/59/86/28/573598628.db2.gz WBGZNJRWNRWPKX-USWWRNFRSA-N 0 0 180.291 2.916 10 30 AFEERN N#CCC[C@]1(C=O)CCCC=C1Cl 198351535 573598647 /nfs/dbraw/zinc/59/86/47/573598647.db2.gz VPDXQUJHQDERCB-JTQLQIEISA-N 0 0 197.665 2.782 10 30 AFEERN C[C@@H](CC(=O)C1=COCC1)C(C)(C)C 308645223 573598732 /nfs/dbraw/zinc/59/87/32/573598732.db2.gz GWIJEXPAFSWCTM-VIFPVBQESA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@H]([C@@H](C)[C@@H](C)O)[Si](C)(C)C 197424809 573602097 /nfs/dbraw/zinc/60/20/97/573602097.db2.gz WMULZANMHCAYRB-IVZWLZJFSA-N 0 0 186.371 2.898 10 30 AFEERN C=CC[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1 235622711 573602175 /nfs/dbraw/zinc/60/21/75/573602175.db2.gz LIUDGXOJTJBGRT-USWWRNFRSA-N 0 0 180.291 2.916 10 30 AFEERN C[C@@H]1CCCC2=CC=CC(=O)[C@@]21C 238447298 573602297 /nfs/dbraw/zinc/60/22/97/573602297.db2.gz LKZANHIQRLPGAP-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H]1[C@@H](O)[C@@](C#N)(C(C)(C)C)C1(C)C 238446560 573602442 /nfs/dbraw/zinc/60/24/42/573602442.db2.gz SMGGQINXTABQDY-LNLATYFQSA-N 0 0 195.306 2.579 10 30 AFEERN CC1=C2CC[C@@H]2[C@@H](C)C(C)(C)C1=O 238447187 573602514 /nfs/dbraw/zinc/60/25/14/573602514.db2.gz YCIKUZOTJCFVCT-PSASIEDQSA-N 0 0 178.275 2.958 10 30 AFEERN C#CC[C@@H](C)c1cc(O)ccc1C 238445959 573602631 /nfs/dbraw/zinc/60/26/31/573602631.db2.gz BGHILGMAMDKNOP-SECBINFHSA-N 0 0 174.243 2.827 10 30 AFEERN C[C@@H]1CCCCC2=C1C(=O)CC2 238448399 573607057 /nfs/dbraw/zinc/60/70/57/573607057.db2.gz OTDYEKWDEATJGO-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN Cc1cccc2c1CC[C@@H]2CC#N 238448627 573607131 /nfs/dbraw/zinc/60/71/31/573607131.db2.gz HGDJWDQAWQIBEP-SNVBAGLBSA-N 0 0 171.243 2.939 10 30 AFEERN C=C[C@@H]1CC(=O)[C@H](C)C[C@@H]1C(=C)C 238447567 573607202 /nfs/dbraw/zinc/60/72/02/573607202.db2.gz QNDGHLKBWRPPKY-GMTAPVOTSA-N 0 0 178.275 2.980 10 30 AFEERN C[C@@H]1CCC2=CC(=O)C[C@H]2CC1 238447439 573607233 /nfs/dbraw/zinc/60/72/33/573607233.db2.gz WXFVNVLYIAMZFL-PSASIEDQSA-N 0 0 164.248 2.712 10 30 AFEERN O=C(Cc1ccoc1)C1=CCCC1 236404482 573607254 /nfs/dbraw/zinc/60/72/54/573607254.db2.gz JDUQLJNSBAGSCN-UHFFFAOYSA-N 0 0 176.215 2.502 10 30 AFEERN C=C1CCC[C@@H](C[C@H](C)O)C1 238447943 573607268 /nfs/dbraw/zinc/60/72/68/573607268.db2.gz PVZQROXYHCJJDH-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN O=C[C@H]1CCCSc2ccccc21 142737165 573607347 /nfs/dbraw/zinc/60/73/47/573607347.db2.gz UAFYOOPQIIVMOL-SECBINFHSA-N 0 0 192.283 2.855 10 30 AFEERN COc1ccc(SCC#N)c(C)c1 259125818 573607401 /nfs/dbraw/zinc/60/74/01/573607401.db2.gz CJENVVVMDRPYJA-UHFFFAOYSA-N 0 0 193.271 2.619 10 30 AFEERN CC[C@@H](C)[C@@H](C#N)c1ccc[nH]1 75545470 573607430 /nfs/dbraw/zinc/60/74/30/573607430.db2.gz DBJSEGKDAGSKRR-RKDXNWHRSA-N 0 0 162.236 2.668 10 30 AFEERN C=C1CCCCC[C@@H](C)C1=O 238448485 573607496 /nfs/dbraw/zinc/60/74/96/573607496.db2.gz URCKWUGREKTKHB-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCc1[nH]c2c(c1C)C(=O)CCC2 238447716 573610070 /nfs/dbraw/zinc/61/00/70/573610070.db2.gz FDGYCNPAHVCLHW-UHFFFAOYSA-N 0 0 189.258 2.571 10 30 AFEERN C[C@@H]1CCCC2=CC[C@@H](C=O)[C@@]21C 238447377 573610123 /nfs/dbraw/zinc/61/01/23/573610123.db2.gz OVNQLWLOIUFZER-ADEWGFFLSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H]1CC[C@@H]2CCC(=O)C=C2C1 238447630 573610132 /nfs/dbraw/zinc/61/01/32/573610132.db2.gz FECHSQZMGDQJOD-DTWKUNHWSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CCCC[C@@H](C)CC1=O 238448032 573610185 /nfs/dbraw/zinc/61/01/85/573610185.db2.gz YXEXZRFVLFHAEN-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN CC1=C2C(=O)[C@@H](C)CC[C@@H]2CC1 238447725 573610191 /nfs/dbraw/zinc/61/01/91/573610191.db2.gz WOCJPJMWQOAFIZ-IUCAKERBSA-N 0 0 164.248 2.712 10 30 AFEERN CC1(C)CCC[C@]2(C)C(=O)C=C[C@@H]12 142747058 573610314 /nfs/dbraw/zinc/61/03/14/573610314.db2.gz VYLRNYVOYFJIPB-CABZTGNLSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@H]1C(=O)CCCC[C@H]1C 238448128 573610410 /nfs/dbraw/zinc/61/04/10/573610410.db2.gz QTLKJHJIISWERN-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(C)c([C@H](C)CC=O)c(O)c1 258070158 573611806 /nfs/dbraw/zinc/61/18/06/573611806.db2.gz MCHIRCXXZFKKOF-SECBINFHSA-N 0 0 192.258 2.702 10 30 AFEERN CSc1ccc(C)c(CCC=O)c1 258070171 573611595 /nfs/dbraw/zinc/61/15/95/573611595.db2.gz MCRMKJLKMYNHEO-UHFFFAOYSA-N 0 0 194.299 2.848 10 30 AFEERN C[C@H]1C[C@@H](C)CC(C)(C)[C@@H]1C=O 238449764 573611596 /nfs/dbraw/zinc/61/15/96/573611596.db2.gz RFDLNKATLTVXAR-KXUCPTDWSA-N 0 0 168.280 2.894 10 30 AFEERN CS[C@]1(C)CCCC[C@H]1C#N 75558199 573611730 /nfs/dbraw/zinc/61/17/30/573611730.db2.gz YONZQHFKORGWKR-DTWKUNHWSA-N 0 0 169.293 2.822 10 30 AFEERN C=C1C(=O)C[C@H](C)CC1(C)C 238449038 573611748 /nfs/dbraw/zinc/61/17/48/573611748.db2.gz REBMYZGCKAXRNA-ZETCQYMHSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CC[C@@H](C(C)(C)C#N)C(=O)C1 75569507 573622922 /nfs/dbraw/zinc/62/29/22/573622922.db2.gz IAZHGWOCMDEPHK-RKDXNWHRSA-N 0 0 179.263 2.541 10 30 AFEERN CC1(/C=C/C(=O)C(C)(C)C)CC1 142854464 573622930 /nfs/dbraw/zinc/62/29/30/573622930.db2.gz MLORIZUOQJTZID-AATRIKPKSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H](CC#N)c1cnc(C)s1 259531225 573622935 /nfs/dbraw/zinc/62/29/35/573622935.db2.gz AEBJPDRXGKBFBX-QMMMGPOBSA-N 0 0 180.276 2.859 10 30 AFEERN C=C(C)C(=O)C1C[C@@H]2CC[C@H](C1)S2 716011077 573622353 /nfs/dbraw/zinc/62/23/53/573622353.db2.gz BBYINEGVKYHYFI-PBINXNQUSA-N 0 0 196.315 2.806 10 30 AFEERN C[C@@H]1CCC[C@@](C)(C#N)C1 83776143 573622466 /nfs/dbraw/zinc/62/24/66/573622466.db2.gz SHBPKMLEXHMFHC-RKDXNWHRSA-N 0 0 137.226 2.726 10 30 AFEERN C=C[C@]1(C)CC[C@@H](C(=C)C)[C@@H](O)C1 211966554 573622497 /nfs/dbraw/zinc/62/24/97/573622497.db2.gz QYBMLJGFALGZQY-SDDRHHMPSA-N 0 0 180.291 2.916 10 30 AFEERN N#CC1(Cc2ccco2)CCC1 83775939 573622584 /nfs/dbraw/zinc/62/25/84/573622584.db2.gz ISVIDIMBMSYLPH-UHFFFAOYSA-N 0 0 161.204 2.516 10 30 AFEERN CC(C)(C)CC[C@@]1(C#N)CCOC1 83776365 573622609 /nfs/dbraw/zinc/62/26/09/573622609.db2.gz YAJUBIDCBZHEBE-NSHDSACASA-N 0 0 181.279 2.743 10 30 AFEERN CC[C@@](C)(C#N)CC(C)C 83775802 573622628 /nfs/dbraw/zinc/62/26/28/573622628.db2.gz WNGKSWBNINDSQY-SECBINFHSA-N 0 0 139.242 2.972 10 30 AFEERN CC[C@H](C)CC(C)(C)C#N 83775612 573622659 /nfs/dbraw/zinc/62/26/59/573622659.db2.gz IURPAGKXROIHJY-QMMMGPOBSA-N 0 0 139.242 2.972 10 30 AFEERN CC(C)CC[C@]1(C#N)CCCC1=O 83776671 573622731 /nfs/dbraw/zinc/62/27/31/573622731.db2.gz XTOSTGHQOLBBKM-NSHDSACASA-N 0 0 179.263 2.686 10 30 AFEERN C[C@@]1(CCCC#N)CCCC(=O)C1 75569583 573622788 /nfs/dbraw/zinc/62/27/88/573622788.db2.gz FLGKPZWXUMOYSM-LLVKDONJSA-N 0 0 179.263 2.830 10 30 AFEERN CC[C@](C)(C#N)Cc1cscn1 83775933 573622790 /nfs/dbraw/zinc/62/27/90/573622790.db2.gz QIHXIAGRURIYDE-VIFPVBQESA-N 0 0 180.276 2.625 10 30 AFEERN CCCCC1(C#N)CCC1 83775966 573622798 /nfs/dbraw/zinc/62/27/98/573622798.db2.gz JDPWBLOKPLZFEC-UHFFFAOYSA-N 0 0 137.226 2.870 10 30 AFEERN C[C@H](C#N)CC[C@@H]1CCCCC1=O 75569599 573622892 /nfs/dbraw/zinc/62/28/92/573622892.db2.gz BQHXHEUSXGXLRZ-UWVGGRQHSA-N 0 0 179.263 2.686 10 30 AFEERN CCC(C#N)(CC)c1ccc(N)cc1 75578790 573628879 /nfs/dbraw/zinc/62/88/79/573628879.db2.gz XKLPCZIDHJNXHH-UHFFFAOYSA-N 0 0 188.274 2.850 10 30 AFEERN C#CCC(=O)C1CCCCCC1 83779125 573628992 /nfs/dbraw/zinc/62/89/92/573628992.db2.gz NHDFEHSFMXVBBD-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN C[C@@](C#N)(CC#N)c1ccccc1F 259533535 573629028 /nfs/dbraw/zinc/62/90/28/573629028.db2.gz LXMSBFCOMDVKDB-NSHDSACASA-N 0 0 188.205 2.521 10 30 AFEERN CC[C@@H](O)CC1(C#N)CCCCC1 75575788 573629099 /nfs/dbraw/zinc/62/90/99/573629099.db2.gz IZDFXGSAUJLZBT-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN C[C@@H]1C=Cc2ccccc2[C@]1(C)C=O 75577312 573629286 /nfs/dbraw/zinc/62/92/86/573629286.db2.gz KHNROPKRRMDZOC-ZWNOBZJWSA-N 0 0 186.254 2.806 10 30 AFEERN C[C@H](Cc1ccccc1)OCCC#N 75579346 573629301 /nfs/dbraw/zinc/62/93/01/573629301.db2.gz MABKSTGWGYLVSM-LLVKDONJSA-N 0 0 189.258 2.548 10 30 AFEERN CC(C)(C#N)Oc1ccc(F)cc1 259533486 573629317 /nfs/dbraw/zinc/62/93/17/573629317.db2.gz LWKLVHYTVZGKOR-UHFFFAOYSA-N 0 0 179.194 2.507 10 30 AFEERN CC[C@H](O)CC1(C#N)CCCCC1 75575787 573629385 /nfs/dbraw/zinc/62/93/85/573629385.db2.gz IZDFXGSAUJLZBT-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN CC[C@]1(C#N)CC[C@@H](C)C1 83781874 573629502 /nfs/dbraw/zinc/62/95/02/573629502.db2.gz MFBGZWUTRRBZPF-BDAKNGLRSA-N 0 0 137.226 2.726 10 30 AFEERN CC1=C(C)c2c(C)ccc(O)c2C1=O 75578466 573629518 /nfs/dbraw/zinc/62/95/18/573629518.db2.gz ZKNBKTLVAWLDSZ-UHFFFAOYSA-N 0 0 188.226 2.690 10 30 AFEERN C[C@](C#N)(CC#N)c1ccccc1F 259533534 573629528 /nfs/dbraw/zinc/62/95/28/573629528.db2.gz LXMSBFCOMDVKDB-LLVKDONJSA-N 0 0 188.205 2.521 10 30 AFEERN Cc1ccc([C@@](C)(C#N)CC#N)cc1 75576613 573629535 /nfs/dbraw/zinc/62/95/35/573629535.db2.gz JANREDPTWZLKJD-GFCCVEGCSA-N 0 0 184.242 2.690 10 30 AFEERN CC[C@H](CC#N)c1ccc(C)cn1 259532964 573629545 /nfs/dbraw/zinc/62/95/45/573629545.db2.gz AGHDKJFEQOJXOY-SNVBAGLBSA-N 0 0 174.247 2.797 10 30 AFEERN C=C[C@@H](CC)OC(=O)C(CC)CC 308409537 573629569 /nfs/dbraw/zinc/62/95/69/573629569.db2.gz LDHRUXHHTMATJN-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN Cc1cc(C)cc(CC[C@H]2CO2)c1 107483117 573632323 /nfs/dbraw/zinc/63/23/23/573632323.db2.gz WRZSQPMCMWIVLU-LBPRGKRZSA-N 0 0 176.259 2.635 10 30 AFEERN CCCCn1c(C)cc(CC#N)c1C 75579970 573632344 /nfs/dbraw/zinc/63/23/44/573632344.db2.gz CRBDBDWYAWLTDU-UHFFFAOYSA-N 0 0 190.290 2.971 10 30 AFEERN Cc1cc(O)ccc1CCCC#N 107489986 573632369 /nfs/dbraw/zinc/63/23/69/573632369.db2.gz SNKDTDSOPAHRFL-UHFFFAOYSA-N 0 0 175.231 2.547 10 30 AFEERN C[C@H](S)C(C)(C)c1ccc(O)cc1 257834486 573632789 /nfs/dbraw/zinc/63/27/89/573632789.db2.gz AADKICYXBYDLJX-QMMMGPOBSA-N 0 0 196.315 2.988 10 30 AFEERN N#Cc1scnc1-c1cccs1 259143666 573632825 /nfs/dbraw/zinc/63/28/25/573632825.db2.gz HWYDMVKVEXAZPZ-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN CCCCCCCC1(O)CC1 107610541 573638071 /nfs/dbraw/zinc/63/80/71/573638071.db2.gz XXHGUORGBGYHNJ-UHFFFAOYSA-N 0 0 156.269 2.872 10 30 AFEERN C[C@H](C=O)[C@H]1CCc2ccccc2C1 257845064 573638129 /nfs/dbraw/zinc/63/81/29/573638129.db2.gz NLDWQRAWKGGRPQ-PWSUYJOCSA-N 0 0 188.270 2.627 10 30 AFEERN CCC1(C#N)Cc2ccccc2C1 83791985 573638182 /nfs/dbraw/zinc/63/81/82/573638182.db2.gz XKIFESGWZLHFDZ-UHFFFAOYSA-N 0 0 171.243 2.705 10 30 AFEERN CC[C@]1(C#N)CCOc2ccccc21 83791926 573638216 /nfs/dbraw/zinc/63/82/16/573638216.db2.gz DLZSIMVQRSXJLH-GFCCVEGCSA-N 0 0 187.242 2.640 10 30 AFEERN N#Cc1c(-c2ccco2)oc2c1CCC2 259617014 573638259 /nfs/dbraw/zinc/63/82/59/573638259.db2.gz BWRZWQRVMIFFNM-UHFFFAOYSA-N 0 0 199.209 2.900 10 30 AFEERN Cc1ccc([C@@H]2[C@@H](C=O)[C@@H]2C)cc1 238460453 573638312 /nfs/dbraw/zinc/63/83/12/573638312.db2.gz YTQONIPKSUOGOM-ZMLRMANQSA-N 0 0 174.243 2.543 10 30 AFEERN C=CCN(CC)C(=O)C1CCCCC1 96757635 573638415 /nfs/dbraw/zinc/63/84/15/573638415.db2.gz SHCXSBZWHJMSID-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C1CC(C)(C)C[C@H](C)[C@@H]1CO 238460342 573638420 /nfs/dbraw/zinc/63/84/20/573638420.db2.gz RNMUBAYBJMAFEO-VHSXEESVSA-N 0 0 168.280 2.607 10 30 AFEERN CCCC(=NO)c1ccc(C)cc1O 254897321 573638494 /nfs/dbraw/zinc/63/84/94/573638494.db2.gz LICXKQAKVVQFLB-UHFFFAOYSA-N 0 0 193.246 2.679 10 30 AFEERN C[C@H]1CC[C@]2(C)CCC=C2C1=O 238461159 573638507 /nfs/dbraw/zinc/63/85/07/573638507.db2.gz DJAXJCYATXYVIE-KWQFWETISA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@]1(C#N)CCc2ccccc2C1 83792066 573638641 /nfs/dbraw/zinc/63/86/41/573638641.db2.gz LCIATKVCAZQTSW-GFCCVEGCSA-N 0 0 171.243 2.705 10 30 AFEERN Cc1ccc(CC[C@H]2O[C@H]2C)s1 107543131 573638724 /nfs/dbraw/zinc/63/87/24/573638724.db2.gz UVSXRGRQEMLUMB-WCBMZHEXSA-N 0 0 182.288 2.776 10 30 AFEERN CC[C@H]1CC[C@](C)(C#N)C1 83791715 573638727 /nfs/dbraw/zinc/63/87/27/573638727.db2.gz OVBUFPZPHZMQME-IUCAKERBSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@]1(C#N)COc2ccccc2C1 83791954 573638749 /nfs/dbraw/zinc/63/87/49/573638749.db2.gz WRNSEJZFIPTXGC-LBPRGKRZSA-N 0 0 187.242 2.541 10 30 AFEERN C[C@@H](C=O)[C@@H]1CCc2ccccc2C1 257845060 573638842 /nfs/dbraw/zinc/63/88/42/573638842.db2.gz NLDWQRAWKGGRPQ-CMPLNLGQSA-N 0 0 188.270 2.627 10 30 AFEERN Cc1ccccc1-c1noc(C#N)c1C 259538738 573638851 /nfs/dbraw/zinc/63/88/51/573638851.db2.gz UXAGJSOQYVRILL-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C=C(CC)CC(=O)[C@@H](OCC)C1CC1 132173051 573638885 /nfs/dbraw/zinc/63/88/85/573638885.db2.gz CQYZADXPZVCBOW-LBPRGKRZSA-N 0 0 196.290 2.727 10 30 AFEERN C=CC[C@H](O)[C@@H]1CCc2ccccc21 83800107 573638911 /nfs/dbraw/zinc/63/89/11/573638911.db2.gz DBLRJVSCFUGJGK-OLZOCXBDSA-N 0 0 188.270 2.653 10 30 AFEERN CCc1c(C#N)oc2ccc(O)cc12 5064476 573638922 /nfs/dbraw/zinc/63/89/22/573638922.db2.gz VQTTWDOFSHJPTQ-UHFFFAOYSA-N 0 0 187.198 2.572 10 30 AFEERN C=CCCCCC[C@H](O)c1cn[nH]c1 308651376 573638956 /nfs/dbraw/zinc/63/89/56/573638956.db2.gz KJGVZQVRIIQMCB-NSHDSACASA-N 0 0 194.278 2.580 10 30 AFEERN Cc1ncc(C2CC2)c(C#N)c1Cl 259537141 573639084 /nfs/dbraw/zinc/63/90/84/573639084.db2.gz CFAILSPDJCNTQO-UHFFFAOYSA-N 0 0 192.649 2.793 10 30 AFEERN CC[C@@H]1CC[C@](C)(C#N)C1 83791712 573639126 /nfs/dbraw/zinc/63/91/26/573639126.db2.gz OVBUFPZPHZMQME-BDAKNGLRSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@@H]1CC[C@@](C)(C#N)C1 83791708 573639136 /nfs/dbraw/zinc/63/91/36/573639136.db2.gz OVBUFPZPHZMQME-RKDXNWHRSA-N 0 0 137.226 2.726 10 30 AFEERN C=CCC[C@@H]1CCCC(=O)[C@H]1C 238461479 573639184 /nfs/dbraw/zinc/63/91/84/573639184.db2.gz SIAYSIDGVNAQDS-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1CCC2=CC(=O)C[C@@H]2CC1 238458608 573655553 /nfs/dbraw/zinc/65/55/53/573655553.db2.gz WXFVNVLYIAMZFL-SCZZXKLOSA-N 0 0 164.248 2.712 10 30 AFEERN C/C(Cl)=C1\CC[C@H](C)CC1=O 238466762 573655631 /nfs/dbraw/zinc/65/56/31/573655631.db2.gz BVKDSPUAEABJOG-WXIAHEHCSA-N 0 0 172.655 2.888 10 30 AFEERN Cc1ccc(C)c2c1C=CC2=O 238458392 573656185 /nfs/dbraw/zinc/65/61/85/573656185.db2.gz DCFJLUURQJEMCP-UHFFFAOYSA-N 0 0 158.200 2.513 10 30 AFEERN C[C@H]1O[C@H]1c1ccccc1Cl 258850975 573656335 /nfs/dbraw/zinc/65/63/35/573656335.db2.gz QPGZHZDIWSXPOX-HZGVNTEJSA-N 0 0 168.623 2.800 10 30 AFEERN C[C@H](S)C(C)(C)c1cccc(O)c1 258080940 573656338 /nfs/dbraw/zinc/65/63/38/573656338.db2.gz MIDWJEDHJUHEIA-QMMMGPOBSA-N 0 0 196.315 2.988 10 30 AFEERN C=C(CC(=O)OC)c1ccc(C)cc1 258083445 573656372 /nfs/dbraw/zinc/65/63/72/573656372.db2.gz FYQGIOJKTFGIRC-UHFFFAOYSA-N 0 0 190.242 2.571 10 30 AFEERN C=C1[C@@H]2CCC[C@@]23CCC(=O)[C@@]13C 238471251 573656393 /nfs/dbraw/zinc/65/63/93/573656393.db2.gz OIILJGWEZDFKJJ-MVWJERBFSA-N 0 0 176.259 2.712 10 30 AFEERN Cc1cc(N)cc2sc(C#N)cc12 307118852 573656514 /nfs/dbraw/zinc/65/65/14/573656514.db2.gz XXPYHYRVHJXIQK-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN N#Cc1nc(C2CCCC2)cs1 259153423 573656670 /nfs/dbraw/zinc/65/66/70/573656670.db2.gz IJBQIWOZFGBNKJ-UHFFFAOYSA-N 0 0 178.260 2.672 10 30 AFEERN Cc1cccc2c1C[C@@H]([C@@H](C)C=O)C2 257842131 573656689 /nfs/dbraw/zinc/65/66/89/573656689.db2.gz MNFQWERJCWHRNL-JQWIXIFHSA-N 0 0 188.270 2.545 10 30 AFEERN C#CCC[C@@H](C)c1ccc(O)cc1 238471150 573656690 /nfs/dbraw/zinc/65/66/90/573656690.db2.gz BZFQHXPEPFKVKY-SNVBAGLBSA-N 0 0 174.243 2.909 10 30 AFEERN C/C(=N\O)[C@@H](C)Nc1ccc(C)cc1 224486142 573656705 /nfs/dbraw/zinc/65/67/05/573656705.db2.gz VIPSPIMMWDCFGV-YPJZTRPGSA-N 0 0 192.262 2.646 10 30 AFEERN C[C@@H](CC=O)c1ccc(Cl)cc1O 258081740 573656714 /nfs/dbraw/zinc/65/67/14/573656714.db2.gz JBFYDKJKIHBVCD-ZETCQYMHSA-N 0 0 198.649 2.738 10 30 AFEERN C[C@H](CC=O)c1ccc(Cl)cc1O 258081738 573656751 /nfs/dbraw/zinc/65/67/51/573656751.db2.gz JBFYDKJKIHBVCD-SSDOTTSWSA-N 0 0 198.649 2.738 10 30 AFEERN C[C@@H]1O[C@@H]1c1ccccc1Cl 258853691 573656987 /nfs/dbraw/zinc/65/69/87/573656987.db2.gz QPGZHZDIWSXPOX-RCOVLWMOSA-N 0 0 168.623 2.800 10 30 AFEERN C[C@H]1O[C@@H]1c1cc(Cl)ccc1F 259154352 573663539 /nfs/dbraw/zinc/66/35/39/573663539.db2.gz FZUPAALVBCKDBK-ANLVUFKYSA-N 0 0 186.613 2.939 10 30 AFEERN C=CCSc1ccc(C=O)cc1 144578253 573664317 /nfs/dbraw/zinc/66/43/17/573664317.db2.gz UGYMXUKVRGVESE-UHFFFAOYSA-N 0 0 178.256 2.777 10 30 AFEERN C=C1C[C@]2(C)[C@@H](C)CCC(=O)[C@H]12 238476192 573664319 /nfs/dbraw/zinc/66/43/19/573664319.db2.gz SHOQUFWRKWVFQY-INTQDDNPSA-N 0 0 164.248 2.568 10 30 AFEERN CN(CS)c1coc2ccccc12 258865205 573664335 /nfs/dbraw/zinc/66/43/35/573664335.db2.gz FXKZEQSALPOOLX-UHFFFAOYSA-N 0 0 193.271 2.756 10 30 AFEERN CCCc1ccc(C(F)(F)C=O)cc1 257844124 573663604 /nfs/dbraw/zinc/66/36/04/573663604.db2.gz LASOYPURLBHJQW-UHFFFAOYSA-N 0 0 198.212 2.930 10 30 AFEERN CC1(C)CCC[C@]1(C#N)N1CCCC1 86867662 573663741 /nfs/dbraw/zinc/66/37/41/573663741.db2.gz PEHHLMFKJQEPCR-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN N#CC1(c2cc3cccnc3o2)CCC1 214933896 573663851 /nfs/dbraw/zinc/66/38/51/573663851.db2.gz PRGHRKHGCXTAHK-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN N#CC1(c2cc3ccncc3o2)CCC1 214933825 573663860 /nfs/dbraw/zinc/66/38/60/573663860.db2.gz KJOFGOVPKVTTKH-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN CC[C@@](C)(C#N)[C@]1(O)CCCC1(C)C 86870085 573664063 /nfs/dbraw/zinc/66/40/63/573664063.db2.gz PYIYRGSZMVBIHF-RYUDHWBXSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H](C=O)[C@H]1CCc2cccc(F)c21 257844435 573664149 /nfs/dbraw/zinc/66/41/49/573664149.db2.gz NEUDWZQUGOZUPZ-WCBMZHEXSA-N 0 0 192.233 2.691 10 30 AFEERN Cc1cc(C)c2c(c1)C(=NO)CCC2 308410436 573664193 /nfs/dbraw/zinc/66/41/93/573664193.db2.gz DHJLAFPYTFPPQW-UHFFFAOYSA-N 0 0 189.258 2.818 10 30 AFEERN CCC[C@@H](C#N)[C@@]1(O)CCCC1(C)C 86870117 573668577 /nfs/dbraw/zinc/66/85/77/573668577.db2.gz SWFVVBFBCRYWEC-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@](C)(C#N)[C@@]1(O)CCCC1(C)C 86870089 573668592 /nfs/dbraw/zinc/66/85/92/573668592.db2.gz PYIYRGSZMVBIHF-NWDGAFQWSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1ccc([C@](C)(F)C#N)cc1 259545367 573668606 /nfs/dbraw/zinc/66/86/06/573668606.db2.gz CAGVPSSGQZLTJY-SNVBAGLBSA-N 0 0 163.195 2.703 10 30 AFEERN N#CCSc1cc(Cl)ccc1N 83824765 573668629 /nfs/dbraw/zinc/66/86/29/573668629.db2.gz LZQPMQBPKQNTEL-UHFFFAOYSA-N 0 0 198.678 2.538 10 30 AFEERN C=C[C@]1(C)CC(=O)CC[C@@H]1C 238474383 573668631 /nfs/dbraw/zinc/66/86/31/573668631.db2.gz KGKZMWOYTRDJPH-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN N#CC[C@@H]1CCCCc2cnsc21 259546378 573668712 /nfs/dbraw/zinc/66/87/12/573668712.db2.gz CZINUMOGSVXPBK-QMMMGPOBSA-N 0 0 192.287 2.867 10 30 AFEERN C=CC[C@H]1CC(=O)CC[C@H](C)C1 238474467 573668758 /nfs/dbraw/zinc/66/87/58/573668758.db2.gz NSFBTSZYXSYUSG-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN COc1ccc([C@@H]2O[C@H]2C)cc1Cl 258856669 573668808 /nfs/dbraw/zinc/66/88/08/573668808.db2.gz QYEGFTFVOYBBNH-QUBYGPBYSA-N 0 0 198.649 2.808 10 30 AFEERN C[C@@H]1O[C@@H]1c1cc(Cl)ccc1F 259154354 573668818 /nfs/dbraw/zinc/66/88/18/573668818.db2.gz FZUPAALVBCKDBK-CDUCUWFYSA-N 0 0 186.613 2.939 10 30 AFEERN C[C@H]1O[C@H]1c1ccc2c(c1)CCC2 259154469 573668852 /nfs/dbraw/zinc/66/88/52/573668852.db2.gz GBTVZUKHOMSPPS-PRHODGIISA-N 0 0 174.243 2.635 10 30 AFEERN CC(C)(C)c1cc(CCCC#N)[nH]n1 259546229 573668854 /nfs/dbraw/zinc/66/88/54/573668854.db2.gz CWYADAQZDCBEMY-UHFFFAOYSA-N 0 0 191.278 2.553 10 30 AFEERN C[C@@]1(CCCC=O)CCCCC1=O 238489387 573669215 /nfs/dbraw/zinc/66/92/15/573669215.db2.gz ILASFRMMYIOUGT-NSHDSACASA-N 0 0 182.263 2.505 10 30 AFEERN CC[C@H](CC#N)C(=O)c1ccccc1 43368370 573669224 /nfs/dbraw/zinc/66/92/24/573669224.db2.gz BSLLWOYXZGZRPU-SNVBAGLBSA-N 0 0 187.242 2.809 10 30 AFEERN Cc1cc(CC#N)c(C)nc1C(F)F 238469405 573679330 /nfs/dbraw/zinc/67/93/30/573679330.db2.gz YDVMQJSPPVMGRW-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN C[C@@H]1[C@H](C#N)[C@H]1CC(C)(C)C 259549971 573679433 /nfs/dbraw/zinc/67/94/33/573679433.db2.gz HEDZZVVKFQSQCL-CIUDSAMLSA-N 0 0 151.253 2.828 10 30 AFEERN Cc1ccn(-c2ccccc2)c1C#N 259550953 573679496 /nfs/dbraw/zinc/67/94/96/573679496.db2.gz DAELVYIQNRAHDY-UHFFFAOYSA-N 0 0 182.226 2.657 10 30 AFEERN CC[C@@](C)(S)CC[C@H](O)C(C)C 238300247 573679507 /nfs/dbraw/zinc/67/95/07/573679507.db2.gz WSYCVIFRDMURBX-VHSXEESVSA-N 0 0 190.352 2.882 10 30 AFEERN COc1cccc(C)c1[C@H](C)CC=O 258090923 573679716 /nfs/dbraw/zinc/67/97/16/573679716.db2.gz NZYDXYOZUPQOQF-SNVBAGLBSA-N 0 0 192.258 2.696 10 30 AFEERN C=C1C=C[C@H]([C@H](C)CC=O)CC1 238469675 573679719 /nfs/dbraw/zinc/67/97/19/573679719.db2.gz LZIRUJQTWLAHHS-MNOVXSKESA-N 0 0 164.248 2.734 10 30 AFEERN CC1=CC(=O)CC[C@@H]2C1=CC[C@@H]2C 238469192 573679961 /nfs/dbraw/zinc/67/99/61/573679961.db2.gz VNLROYAWWVCSRF-KWQFWETISA-N 0 0 176.259 2.878 10 30 AFEERN Cc1c(C)n(C)c2ccc(CC#N)cc12 214946189 573682050 /nfs/dbraw/zinc/68/20/50/573682050.db2.gz ZCJHWJNANIAMDL-UHFFFAOYSA-N 0 0 198.269 2.861 10 30 AFEERN C[C@H]1CC=C2C(=O)CC(C)(C)C[C@H]21 238469183 573682060 /nfs/dbraw/zinc/68/20/60/573682060.db2.gz YFYQDWXPLNNZQS-WPRPVWTQSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@]1(c2ccccc2)C[C@]1(Cl)C=O 238468874 573682176 /nfs/dbraw/zinc/68/21/76/573682176.db2.gz RZEJEMIVIJSIHF-MNOVXSKESA-N 0 0 194.661 2.525 10 30 AFEERN C=CC[C@H]1CCCC(=O)[C@H]1C 150197485 573682217 /nfs/dbraw/zinc/68/22/17/573682217.db2.gz SKYMZUNOSFRPGL-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cc(C#N)c2sc(C#N)cc2c1 306672317 573682374 /nfs/dbraw/zinc/68/23/74/573682374.db2.gz AEJRKRXSBDRBQD-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C[C@H](CC=O)[C@@H]1CC(=O)CC(C)(C)C1 238469657 573682414 /nfs/dbraw/zinc/68/24/14/573682414.db2.gz CWRBMWIBTCSEGS-NXEZZACHSA-N 0 0 196.290 2.607 10 30 AFEERN C#C[C@H](O)/C(C)=C\C[C@H]1C=CCCC1 238468871 573682655 /nfs/dbraw/zinc/68/26/55/573682655.db2.gz SGFXMVKLVSBQKU-VMYYRQAJSA-N 0 0 190.286 2.673 10 30 AFEERN C[C@@H]1C=C(c2ccccc2)C[C@H]1C=O 238469987 573682674 /nfs/dbraw/zinc/68/26/74/573682674.db2.gz HCCKRIQMTFBEBT-MFKMUULPSA-N 0 0 186.254 2.925 10 30 AFEERN C=CC[C@]1(C)C=CC(=O)CCC1 238470584 573686091 /nfs/dbraw/zinc/68/60/91/573686091.db2.gz GDYWEUYQFJMHCO-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN Cc1cccc([C@@H]2OC2(C)C)c1 259158014 573686386 /nfs/dbraw/zinc/68/63/86/573686386.db2.gz GDJZXQLSHWGONN-JTQLQIEISA-N 0 0 162.232 2.845 10 30 AFEERN CCC[C@@H](CC=O)C(C)(F)F 258510868 573686792 /nfs/dbraw/zinc/68/67/92/573686792.db2.gz LHCBRXAAEIRZNE-ZETCQYMHSA-N 0 0 164.195 2.647 10 30 AFEERN CC(=O)C[C@]1(C=O)C(C)=CCC[C@@H]1C 238481908 573696983 /nfs/dbraw/zinc/69/69/83/573696983.db2.gz XXFVZQYYRIJSIF-JQWIXIFHSA-N 0 0 194.274 2.527 10 30 AFEERN CC(C)SC1=CCCCC1=O 197477436 573696993 /nfs/dbraw/zinc/69/69/93/573696993.db2.gz FFTJNOMEHWXKPD-UHFFFAOYSA-N 0 0 170.277 2.765 10 30 AFEERN Cc1cc2cc(CCC#N)ccc2n1C 259165949 573697088 /nfs/dbraw/zinc/69/70/88/573697088.db2.gz KMLRTVHLGIIGJK-UHFFFAOYSA-N 0 0 198.269 2.943 10 30 AFEERN C=C[C@@H]1CC[C@H](C)C(=O)C1(C)C 238481634 573697132 /nfs/dbraw/zinc/69/71/32/573697132.db2.gz LRXYBDLIHOXOGA-DTWKUNHWSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1cc(O)ccc1C1(C#N)CCC1 238481979 573697154 /nfs/dbraw/zinc/69/71/54/573697154.db2.gz OGLRQSDKBWOZQR-UHFFFAOYSA-N 0 0 187.242 2.646 10 30 AFEERN C=C(c1cccc(Cl)c1)[C@H](C)O 238480953 573697177 /nfs/dbraw/zinc/69/71/77/573697177.db2.gz SXGFTFJFHFRHPE-QMMMGPOBSA-N 0 0 182.650 2.734 10 30 AFEERN C[C@@H](O)C/C=C\CCCCCCC=O 393551551 573697216 /nfs/dbraw/zinc/69/72/16/573697216.db2.gz GPRZCHVPCYRZJP-XYLWRLHESA-N 0 0 198.306 2.853 10 30 AFEERN C=C(C)C[C@@H]1CC[C@H](C)CC1=O 238482036 573697310 /nfs/dbraw/zinc/69/73/10/573697310.db2.gz LMWSAPPFGSCDOB-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C/N=C(\SC)c1cccc(C)c1 258884586 573697314 /nfs/dbraw/zinc/69/73/14/573697314.db2.gz XZPKRJJQRSAUTN-KHPPLWFESA-N 0 0 179.288 2.734 10 30 AFEERN C=C[C@H](C)[C@@H]1CCCC(=O)C1 197476686 573697864 /nfs/dbraw/zinc/69/78/64/573697864.db2.gz OJDRKPJDAWCHHG-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN CCCCC/C=C\C[C@@H]1O[C@H]1CC=O 393552276 573697938 /nfs/dbraw/zinc/69/79/38/573697938.db2.gz CWVNNEILSMTLDP-MVSYMCDOSA-N 0 0 196.290 2.869 10 30 AFEERN N#Cc1cc2nc(C3CC3)oc2s1 259558236 573698107 /nfs/dbraw/zinc/69/81/07/573698107.db2.gz DVXOIODFUOXCJO-UHFFFAOYSA-N 0 0 190.227 2.638 10 30 AFEERN C=C[C@]1(C)CC(=O)C2=C1CCC2 238482322 573698128 /nfs/dbraw/zinc/69/81/28/573698128.db2.gz DUZXWGQKMYXUCD-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C=C[C@@H]1C(=O)CCC[C@@]1(C)C=C 238482634 573698340 /nfs/dbraw/zinc/69/83/40/573698340.db2.gz WNMKRHQDINWUCR-MWLCHTKSSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@H]1C(=O)CCC[C@@]1(C)C=C 238482594 573698352 /nfs/dbraw/zinc/69/83/52/573698352.db2.gz WNMKRHQDINWUCR-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@H](CC(F)F)CC1(C#N)CC1 688750151 573698555 /nfs/dbraw/zinc/69/85/55/573698555.db2.gz WKNZZUJQNWILSD-SSDOTTSWSA-N 0 0 173.206 2.972 10 30 AFEERN C=C=CC(=O)CCCCCC 135958001 573698835 /nfs/dbraw/zinc/69/88/35/573698835.db2.gz WVCXKZUHKGZQOA-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN C[C@H]1CCC=C[C@]2(C)CC(=O)C=C12 238483245 573699027 /nfs/dbraw/zinc/69/90/27/573699027.db2.gz QMKUDURXPBXRLQ-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1[nH]c2cc(F)cc(F)c2c1C#N 238482722 573699071 /nfs/dbraw/zinc/69/90/71/573699071.db2.gz QJGHCISRKRRVMX-UHFFFAOYSA-N 0 0 192.168 2.626 10 30 AFEERN C#CCC(C)(C)[C@H](O)C1=CCC[C@@H]1C 238482472 573699175 /nfs/dbraw/zinc/69/91/75/573699175.db2.gz LMNNEIXZTWILKC-CMPLNLGQSA-N 0 0 192.302 2.753 10 30 AFEERN C=CC(=O)[C@@H]1CC[C@H](CC)C1 83944589 573706526 /nfs/dbraw/zinc/70/65/26/573706526.db2.gz GOZGFKJTOOSTBH-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)c1ccc(C)c(F)c1 83943827 573706608 /nfs/dbraw/zinc/70/66/08/573706608.db2.gz ITCIEJQIRLYBCQ-UHFFFAOYSA-N 0 0 164.179 2.503 10 30 AFEERN CCCN(CC#N)[C@@H](C)[C@@H](C)CC 308422407 573706642 /nfs/dbraw/zinc/70/66/42/573706642.db2.gz PDOIIUKKIQBMSJ-QWRGUYRKSA-N 0 0 182.311 2.657 10 30 AFEERN C#CCSc1c(C)cc(O)cc1C 238477509 573706695 /nfs/dbraw/zinc/70/66/95/573706695.db2.gz HVRPPYMARUSIQL-UHFFFAOYSA-N 0 0 192.283 2.734 10 30 AFEERN CON=CC(C)(C)c1ccccc1 308422431 573706845 /nfs/dbraw/zinc/70/68/45/573706845.db2.gz PDSXTPLSZIKABT-UHFFFAOYSA-N 0 0 177.247 2.596 10 30 AFEERN Cc1cc(C#N)c(C)c(C(F)F)n1 238477728 573706990 /nfs/dbraw/zinc/70/69/90/573706990.db2.gz XVRFCARVBKEPEH-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN CCCc1ccc(N(C)CC#N)cc1 258888407 573706997 /nfs/dbraw/zinc/70/69/97/573706997.db2.gz WJDFXQVVZYLBMB-UHFFFAOYSA-N 0 0 188.274 2.599 10 30 AFEERN CCCN(CC#N)[C@@H](C)[C@H](C)CC 308422404 573707019 /nfs/dbraw/zinc/70/70/19/573707019.db2.gz PDOIIUKKIQBMSJ-MNOVXSKESA-N 0 0 182.311 2.657 10 30 AFEERN C=C1C[C@@]23CCCC[C@@]12CCC3=O 238014728 573707055 /nfs/dbraw/zinc/70/70/55/573707055.db2.gz NGXXGFYTQHEXRH-VXGBXAGGSA-N 0 0 176.259 2.856 10 30 AFEERN C/C(C#CC1CCCCC1)=C/[C@@H](C)O 238477178 573707060 /nfs/dbraw/zinc/70/70/60/573707060.db2.gz CZGDLOWYPWAISW-NLYDNYMLSA-N 0 0 192.302 2.897 10 30 AFEERN C[C@H]1C[C@@H](C)CC2=C1C(=O)CC2 238477550 573707171 /nfs/dbraw/zinc/70/71/71/573707171.db2.gz JRJRAVLZGARQRE-SFYZADRCSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)C1=C(C)CCC[C@@H]1C 238485439 573707250 /nfs/dbraw/zinc/70/72/50/573707250.db2.gz IPNXNQJMFNNHAW-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1ccc2c(c1)C[C@H](CC=O)S2 258095285 573712364 /nfs/dbraw/zinc/71/23/64/573712364.db2.gz NOGZXKROTZXRFH-JTQLQIEISA-N 0 0 192.283 2.601 10 30 AFEERN Cc1ccc2c(c1)C[C@@H](CC=O)S2 258095289 573711539 /nfs/dbraw/zinc/71/15/39/573711539.db2.gz NOGZXKROTZXRFH-SNVBAGLBSA-N 0 0 192.283 2.601 10 30 AFEERN Oc1cccc(C2(CS)CCC2)c1 258095414 573711610 /nfs/dbraw/zinc/71/16/10/573711610.db2.gz NLNGJJDHEQTJJL-UHFFFAOYSA-N 0 0 194.299 2.744 10 30 AFEERN C=C1CCC[C@]12CCC=CC2=O 238011543 573711678 /nfs/dbraw/zinc/71/16/78/573711678.db2.gz VVOPYYDRKFHJJI-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C[C@]12C=C[C@@H]3c4ccccc4[C@H]1[C@@]32C=O 308692994 573711727 /nfs/dbraw/zinc/71/17/27/573711727.db2.gz BEYGRMIKXYHDQB-YIYPIFLZSA-N 0 0 196.249 2.642 10 30 AFEERN Cc1ccc(N[C@@H]2C[C@@H]2C)c(C#N)c1 235593844 573711741 /nfs/dbraw/zinc/71/17/41/573711741.db2.gz URGZLQFFBUZPKO-JOYOIKCWSA-N 0 0 186.258 2.687 10 30 AFEERN C=C1CC[C@@H]1[C@H]1CCCC(=O)C1 238011836 573711880 /nfs/dbraw/zinc/71/18/80/573711880.db2.gz KYBPKMFOVXZUSO-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CC[C@@H]1[C@@H]1CCCC(=O)C1 238011801 573711954 /nfs/dbraw/zinc/71/19/54/573711954.db2.gz KYBPKMFOVXZUSO-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CCCC[C@H]1CCC=O 238010667 573711979 /nfs/dbraw/zinc/71/19/79/573711979.db2.gz VHNLTWFOWWICND-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C[C@@H]1C=CC(=O)[C@H](C(C)(C)C)C1 238491999 573711999 /nfs/dbraw/zinc/71/19/99/573711999.db2.gz XKKBJXMXPYITJE-RKDXNWHRSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)c1cccc(CCC=O)c1 258101948 573714077 /nfs/dbraw/zinc/71/40/77/573714077.db2.gz XUTYIMCRYAHWCX-UHFFFAOYSA-N 0 0 174.243 2.851 10 30 AFEERN C=C[C@@H]1CNc2c(C)cc(C)cc21 238493420 573714136 /nfs/dbraw/zinc/71/41/36/573714136.db2.gz VBZLCOCNOCHXNC-SNVBAGLBSA-N 0 0 173.259 2.999 10 30 AFEERN C/C=C/[C@@H](O)CC#CC1CCCC1 238033293 573714574 /nfs/dbraw/zinc/71/45/74/573714574.db2.gz JUPIUAOMCHACOR-RDNKVPPGSA-N 0 0 178.275 2.507 10 30 AFEERN Cc1cccc2c(CS)c[nH]c12 257855199 573714691 /nfs/dbraw/zinc/71/46/91/573714691.db2.gz CWXBBSLELKDPDQ-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN CC(C)CC1([C@H](C#N)C(C)C)COC1 258512064 573714737 /nfs/dbraw/zinc/71/47/37/573714737.db2.gz GBMLDNDHACMCGI-LLVKDONJSA-N 0 0 195.306 2.845 10 30 AFEERN C=CCC(=O)[C@H]1CCCC[C@@H]1C 238492984 573714854 /nfs/dbraw/zinc/71/48/54/573714854.db2.gz VKGIEGBRLGSHHH-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1Cc2cc(C#N)cc(Cl)c2O1 238492974 573714929 /nfs/dbraw/zinc/71/49/29/573714929.db2.gz QMSGBBSQTFJDDT-ZCFIWIBFSA-N 0 0 193.633 2.535 10 30 AFEERN C[C@@H](C#N)Cc1ccccc1F 83962926 573715024 /nfs/dbraw/zinc/71/50/24/573715024.db2.gz ZOFPWAVRMHTIKL-MRVPVSSYSA-N 0 0 163.195 2.528 10 30 AFEERN O=C[C@@H]1CCCC[C@H]1/C=C\C1CC1 215326292 573715097 /nfs/dbraw/zinc/71/50/97/573715097.db2.gz YIGXOKCWWMRYNY-XPOJSHTGSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@H](C#CC)[C@@H]1CCCCC1=O 238039830 573715317 /nfs/dbraw/zinc/71/53/17/573715317.db2.gz ZPWFQAGDWCXYJO-MNOVXSKESA-N 0 0 176.259 2.571 10 30 AFEERN C=C[C@H]1CNc2c(C)cc(C)cc21 238493469 573715383 /nfs/dbraw/zinc/71/53/83/573715383.db2.gz VBZLCOCNOCHXNC-JTQLQIEISA-N 0 0 173.259 2.999 10 30 AFEERN Cc1ccc(F)c2c1[C@@H](C#N)CC2 238493058 573715475 /nfs/dbraw/zinc/71/54/75/573715475.db2.gz CWVVTDLGQMLPHX-MRVPVSSYSA-N 0 0 175.206 2.688 10 30 AFEERN CN(CC(C)(C)C#N)c1cccs1 258897533 573731149 /nfs/dbraw/zinc/73/11/49/573731149.db2.gz KHAUSQOTVWCFKI-UHFFFAOYSA-N 0 0 194.303 2.734 10 30 AFEERN C=C1C(=O)C(C)(C)C12CCCC2 224634747 573731272 /nfs/dbraw/zinc/73/12/72/573731272.db2.gz DXZCTUHCJRTLJC-UHFFFAOYSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C(c2cccs2)C(=O)CC1 144796197 573731322 /nfs/dbraw/zinc/73/13/22/573731322.db2.gz HKRNIGQDMMUXCE-UHFFFAOYSA-N 0 0 178.256 2.885 10 30 AFEERN CC(C)=C1C[C@H](C(C)(C)C)C1=O 223395288 573731346 /nfs/dbraw/zinc/73/13/46/573731346.db2.gz LQXSEZZDGPLEAL-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@]1(CC=O)C[C@H]1c1ccccc1 238487475 573731590 /nfs/dbraw/zinc/73/15/90/573731590.db2.gz PEIIRYNZVATDFI-NWDGAFQWSA-N 0 0 174.243 2.769 10 30 AFEERN CCc1cc(C[C@@H](C)C=O)ccc1F 238324579 573731720 /nfs/dbraw/zinc/73/17/20/573731720.db2.gz WGEBLIZRSVOYAY-SECBINFHSA-N 0 0 194.249 2.766 10 30 AFEERN CC(C)=C1C[C@@H](C(C)(C)C)C1=O 223395342 573732605 /nfs/dbraw/zinc/73/26/05/573732605.db2.gz LQXSEZZDGPLEAL-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CC#Cc1ccc(C(F)(F)F)cc1N 238052332 573731909 /nfs/dbraw/zinc/73/19/09/573731909.db2.gz QUCQCGPXEAFTIW-UHFFFAOYSA-N 0 0 199.175 2.659 10 30 AFEERN C=CC[C@@H]1CC=CC(=O)C1(C)C 223370850 573731983 /nfs/dbraw/zinc/73/19/83/573731983.db2.gz KVHGAPMYDSCUBH-SECBINFHSA-N 0 0 164.248 2.734 10 30 AFEERN C=C(C)[C@]1(C)CC(C)(C)C1=O 224632640 573731999 /nfs/dbraw/zinc/73/19/99/573731999.db2.gz BVBGVGPWJCHZJT-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H]1CC[C@@H](OC)[C@@]1(C)CCC=O 238327092 573732050 /nfs/dbraw/zinc/73/20/50/573732050.db2.gz TWPXMKSQBUANRW-UTUOFQBUSA-N 0 0 196.290 2.583 10 30 AFEERN C=C(C)[C@H](CCC)C(C)=O 144724249 573732172 /nfs/dbraw/zinc/73/21/72/573732172.db2.gz IIMCLSMRECWCLU-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN Cc1cc(C(C)(C)C#N)ccc1O 238488831 573732263 /nfs/dbraw/zinc/73/22/63/573732263.db2.gz KWDSQZPWCZQMLT-UHFFFAOYSA-N 0 0 175.231 2.502 10 30 AFEERN C[C@H]1CC[C@@](C)(C(=O)C#N)C1(C)C 238489456 573732445 /nfs/dbraw/zinc/73/24/45/573732445.db2.gz XQQHMIWLKGQNAN-KWQFWETISA-N 0 0 179.263 2.541 10 30 AFEERN CC1(C)CC(=C2CCCC2)C1=O 224636695 573732570 /nfs/dbraw/zinc/73/25/70/573732570.db2.gz WRBZCPBSEIBJTP-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C/C=C1/C(=O)[C@H]2CCC[C@@H]2C1(C)C 238076814 573738993 /nfs/dbraw/zinc/73/89/93/573738993.db2.gz PZBNFOARBQZUJH-UKSCLKOJSA-N 0 0 178.275 2.958 10 30 AFEERN CO[C@H](C#N)c1cccc(C2CC2)c1 87014060 573739066 /nfs/dbraw/zinc/73/90/66/573739066.db2.gz YQQKAXQPXACSQH-GFCCVEGCSA-N 0 0 187.242 2.775 10 30 AFEERN O=CCc1cc2cccc(F)c2s1 258113924 573739095 /nfs/dbraw/zinc/73/90/95/573739095.db2.gz JFTBIDVLALPLRL-UHFFFAOYSA-N 0 0 194.230 2.782 10 30 AFEERN C=C1C[C@@H]1[C@@H]1CCCC[C@@H]1C(C)=O 238074714 573739232 /nfs/dbraw/zinc/73/92/32/573739232.db2.gz LWYKEPHDOVFVBC-UTUOFQBUSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)CC#C[C@H](O)c1ccccc1 238075408 573739275 /nfs/dbraw/zinc/73/92/75/573739275.db2.gz JWAAQHBQZXYVMD-ZDUSSCGKSA-N 0 0 186.254 2.690 10 30 AFEERN N#C[C@@H]1CCCCCCCCC1=O 223459272 573739313 /nfs/dbraw/zinc/73/93/13/573739313.db2.gz VRCFHGLJBSIDIW-JTQLQIEISA-N 0 0 179.263 2.830 10 30 AFEERN C=C[C@H]1CCCC/C1=C(\C)NC(C)=O 238071372 573739364 /nfs/dbraw/zinc/73/93/64/573739364.db2.gz SVXHYMSTUUSUSF-AWPPVZKDSA-N 0 0 193.290 2.773 10 30 AFEERN C=C[C@H](CC)OC(=O)C1CCCC1 308428437 573739413 /nfs/dbraw/zinc/73/94/13/573739413.db2.gz SFKZHJQQGMVEOJ-SNVBAGLBSA-N 0 0 182.263 2.684 10 30 AFEERN CC(=O)C1=CC[C@H]2CCC=C[C@@]12C 238072665 573739475 /nfs/dbraw/zinc/73/94/75/573739475.db2.gz FWJDMJOZALMXPS-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN C/C=C\COc1cc(C#N)ccc1C 308427390 573739533 /nfs/dbraw/zinc/73/95/33/573739533.db2.gz ZVVWCGWCJDFWII-ARJAWSKDSA-N 0 0 187.242 2.822 10 30 AFEERN CO[C@@H](C#N)c1ccc(C2CC2)cc1 87014062 573739545 /nfs/dbraw/zinc/73/95/45/573739545.db2.gz BQRFWSHTQFORCU-LBPRGKRZSA-N 0 0 187.242 2.775 10 30 AFEERN C=CC[C@@H]1CCC[C@H](C(C)=O)C1 238075197 573739557 /nfs/dbraw/zinc/73/95/57/573739557.db2.gz MLJOSDDORYMQMM-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN N#CC[C@H](O)c1ccc(C2CC2)cc1 87014214 573739636 /nfs/dbraw/zinc/73/96/36/573739636.db2.gz VYJWZSWAPAFMNU-LBPRGKRZSA-N 0 0 187.242 2.511 10 30 AFEERN C=C(C)CC(=O)Nc1ccccc1C 238076254 573744389 /nfs/dbraw/zinc/74/43/89/573744389.db2.gz LBMAGWJDNLMFBT-UHFFFAOYSA-N 0 0 189.258 2.900 10 30 AFEERN C=C[C@H](C)[C@H](O)C/C(C)=C\C 238061225 573744409 /nfs/dbraw/zinc/74/44/09/573744409.db2.gz XMYDJHMXOAWMOW-FGRQDEOASA-N 0 0 154.253 2.526 10 30 AFEERN C=CC[C@H]1CCC(C(C)=O)=C1C 238060438 573744567 /nfs/dbraw/zinc/74/45/67/573744567.db2.gz WQQGHTGVWSVRBM-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN CC(C)CC[C@@]1(C)CC[C@](C)(C=O)O1 308702492 573744734 /nfs/dbraw/zinc/74/47/34/573744734.db2.gz VJYMOAKPEXUOSE-NWDGAFQWSA-N 0 0 198.306 2.949 10 30 AFEERN Cc1ccc(CN(C)CS)cc1C 258901424 573744738 /nfs/dbraw/zinc/74/47/38/573744738.db2.gz KTKYLTQBCBXTSS-UHFFFAOYSA-N 0 0 195.331 2.623 10 30 AFEERN C=C(C)C[C@H]1CCCC(=O)[C@@H]1F 144874302 573744838 /nfs/dbraw/zinc/74/48/38/573744838.db2.gz AFHSQGFVZVYCAE-PSASIEDQSA-N 0 0 170.227 2.660 10 30 AFEERN CC(C)(C)CC[C@@]1(C)CC[C@H](C=O)O1 308699513 573744897 /nfs/dbraw/zinc/74/48/97/573744897.db2.gz UNMMWWVWDJJXHL-ZYHUDNBSSA-N 0 0 198.306 2.949 10 30 AFEERN C=CCC[C@@H]1CCSC1 238061032 573744922 /nfs/dbraw/zinc/74/49/22/573744922.db2.gz LGZGYEKUUNMLTL-MRVPVSSYSA-N 0 0 142.267 2.706 10 30 AFEERN C/C=C1/C(=O)C[C@@H]2CCC=C[C@@]12C 238076657 573744967 /nfs/dbraw/zinc/74/49/67/573744967.db2.gz XWMZAWAUQZNALF-HMQTYYFRSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)CC[C@]1(C)CC[C@](C)(C=O)O1 308702494 573745926 /nfs/dbraw/zinc/74/59/26/573745926.db2.gz VJYMOAKPEXUOSE-VXGBXAGGSA-N 0 0 198.306 2.949 10 30 AFEERN CCCc1ccc(C[C@H]2CO2)cc1 146107944 573745936 /nfs/dbraw/zinc/74/59/36/573745936.db2.gz ORALBXGQQPETFY-LBPRGKRZSA-N 0 0 176.259 2.580 10 30 AFEERN Cc1cnc(C(F)F)c(C)c1C#N 238500858 573745985 /nfs/dbraw/zinc/74/59/85/573745985.db2.gz YEFBPAOPGGFQFN-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=CC[C@@H]1CCC(C(C)=O)=C1C 238060583 573746018 /nfs/dbraw/zinc/74/60/18/573746018.db2.gz WQQGHTGVWSVRBM-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C=CC[C@H](C)[C@@H](C(C)C)[C@H](C)O 715007940 573746162 /nfs/dbraw/zinc/74/61/62/573746162.db2.gz ZLNLUADLZZVROS-GARJFASQSA-N 0 0 170.296 2.852 10 30 AFEERN C=CC[C@H](C)[C@H](C(C)C)[C@H](C)O 715007928 573746232 /nfs/dbraw/zinc/74/62/32/573746232.db2.gz ZLNLUADLZZVROS-DCAQKATOSA-N 0 0 170.296 2.852 10 30 AFEERN CC(=O)C1=C(O)CCCCCC1 238061939 573746243 /nfs/dbraw/zinc/74/62/43/573746243.db2.gz MYKPJQQJTJEYBR-UHFFFAOYSA-N 0 0 168.236 2.742 10 30 AFEERN C=C1C=CC[C@]2(C)CC(=O)CC[C@@H]12 238500721 573746272 /nfs/dbraw/zinc/74/62/72/573746272.db2.gz PQXALZIBYPZUFF-NWDGAFQWSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)(C)CC[C@]1(C)CC[C@@H](C=O)O1 308699511 573746324 /nfs/dbraw/zinc/74/63/24/573746324.db2.gz UNMMWWVWDJJXHL-JQWIXIFHSA-N 0 0 198.306 2.949 10 30 AFEERN C=CCC[C@H]1CCC(=O)[C@@H]2C[C@H]12 238062930 573746332 /nfs/dbraw/zinc/74/63/32/573746332.db2.gz VHJQSAMYSZCHCL-IVZWLZJFSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(C(F)F)c(CC#N)c(C)n1 238501882 573746366 /nfs/dbraw/zinc/74/63/66/573746366.db2.gz DKGXQRFVALSHGH-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN Cc1nc2ccc(F)c(C#N)c2s1 238501000 573746424 /nfs/dbraw/zinc/74/64/24/573746424.db2.gz SMSIVAAJJGPKQT-UHFFFAOYSA-N 0 0 192.218 2.616 10 30 AFEERN CC(=O)/C(C)=C\c1ccncc1Cl 220103777 573747853 /nfs/dbraw/zinc/74/78/53/573747853.db2.gz XWQXRKLEZJPWGC-ALCCZGGFSA-N 0 0 195.649 2.727 10 30 AFEERN C=C1C(=O)C=C[C@]2(C)C(=C)CC[C@H]12 238497868 573747865 /nfs/dbraw/zinc/74/78/65/573747865.db2.gz VYGCJGOJUVUUPU-ZYHUDNBSSA-N 0 0 174.243 2.654 10 30 AFEERN CC(=O)C1=CC[C@H](C(C)(C)C)C1 238065288 573748008 /nfs/dbraw/zinc/74/80/08/573748008.db2.gz QYXBUZJDBSIVCH-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H](C#N)Nc1ccc(Cl)s1 258901230 573748072 /nfs/dbraw/zinc/74/80/72/573748072.db2.gz XVELKCOCAAJOCM-YFKPBYRVSA-N 0 0 186.667 2.725 10 30 AFEERN C=CCCc1ccc(C#N)c(=S)[nH]1 238064498 573748113 /nfs/dbraw/zinc/74/81/13/573748113.db2.gz CELBDCQVIWXXCL-UHFFFAOYSA-N 0 0 190.271 2.734 10 30 AFEERN CCOc1ccc([C@@H]2O[C@H]2C)cc1 258902655 573748125 /nfs/dbraw/zinc/74/81/25/573748125.db2.gz VDNYEBBGRYPQQX-GZMMTYOYSA-N 0 0 178.231 2.545 10 30 AFEERN C=C1C(=O)C=C[C@]2(C)C(=C)CC[C@@H]12 238497849 573748193 /nfs/dbraw/zinc/74/81/93/573748193.db2.gz VYGCJGOJUVUUPU-CMPLNLGQSA-N 0 0 174.243 2.654 10 30 AFEERN CC(C)(C)CC[C@]1(C)CC[C@H](C=O)O1 308699512 573748223 /nfs/dbraw/zinc/74/82/23/573748223.db2.gz UNMMWWVWDJJXHL-PWSUYJOCSA-N 0 0 198.306 2.949 10 30 AFEERN C=C[C@@H](O)/C=C/c1cccc(C)c1 238497921 573748248 /nfs/dbraw/zinc/74/82/48/573748248.db2.gz CMBUCPXMFSCXPN-ABZNLYFFSA-N 0 0 174.243 2.555 10 30 AFEERN C=C[C@H](O)/C=C/c1cccc(C)c1 238497899 573748310 /nfs/dbraw/zinc/74/83/10/573748310.db2.gz CMBUCPXMFSCXPN-GUOLPTJISA-N 0 0 174.243 2.555 10 30 AFEERN Cc1nc2cc(F)c(C#N)cc2s1 238496634 573748409 /nfs/dbraw/zinc/74/84/09/573748409.db2.gz IXTRCEDKEPKIFE-UHFFFAOYSA-N 0 0 192.218 2.616 10 30 AFEERN C=CCC[C@H]1CCCC2(C1)OCCO2 238063077 573750764 /nfs/dbraw/zinc/75/07/64/573750764.db2.gz JHMBPBXSRFQVSI-NSHDSACASA-N 0 0 196.290 2.886 10 30 AFEERN Cc1ccccc1[C@H]1SC=CC1=O 238497433 573750895 /nfs/dbraw/zinc/75/08/95/573750895.db2.gz UBMXYDFWTLHAGA-LLVKDONJSA-N 0 0 190.267 2.866 10 30 AFEERN C=CCOc1cc(C)c(O)cc1C 238498081 573750920 /nfs/dbraw/zinc/75/09/20/573750920.db2.gz JGVDOIRPNPOKAQ-UHFFFAOYSA-N 0 0 178.231 2.574 10 30 AFEERN C=CCC[C@H](C)Nc1ccc(=O)[nH]c1 308707133 573751093 /nfs/dbraw/zinc/75/10/93/573751093.db2.gz XBULXPQIHJOPAT-VIFPVBQESA-N 0 0 192.262 2.554 10 30 AFEERN C=C(C)[C@@](O)(CC)C1CCC1 143342876 573751105 /nfs/dbraw/zinc/75/11/05/573751105.db2.gz UHQYQJOVBKGJPN-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN Cc1ccc2c(c1)cc(CS)n2C 257873546 573751310 /nfs/dbraw/zinc/75/13/10/573751310.db2.gz ITEOTRCGYUGVSH-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN CC(C)(C#N)CNc1ccc(F)cc1 258774951 573751323 /nfs/dbraw/zinc/75/13/23/573751323.db2.gz ZCEVRIDFNSSXPE-UHFFFAOYSA-N 0 0 192.237 2.787 10 30 AFEERN CC(=O)C=C=Cc1ccc(F)cc1 238077913 573755125 /nfs/dbraw/zinc/75/51/25/573755125.db2.gz UTNIFLSYIANRFB-UHFFFAOYSA-N 0 0 176.190 2.583 10 30 AFEERN C=C(CC(C)=O)CC(C)(C)C 238079131 573754210 /nfs/dbraw/zinc/75/42/10/573754210.db2.gz AHBLABKOCQUMBO-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1ccc2c(c1)C[C@@H]([C@H](C)C=O)C2 257865417 573754334 /nfs/dbraw/zinc/75/43/34/573754334.db2.gz RWQPBTUBBNXHLB-PWSUYJOCSA-N 0 0 188.270 2.545 10 30 AFEERN CC1=Cc2cc(Cl)ccc2C1=O 143351522 573754571 /nfs/dbraw/zinc/75/45/71/573754571.db2.gz LZKMRVJHCCPLIT-UHFFFAOYSA-N 0 0 178.618 2.940 10 30 AFEERN Cc1cccc(C#CC(F)F)c1 238499309 573754619 /nfs/dbraw/zinc/75/46/19/573754619.db2.gz SAQQDSSVNSQIKO-UHFFFAOYSA-N 0 0 166.170 2.612 10 30 AFEERN CCN(CCCS)c1ccccc1 87055409 573754620 /nfs/dbraw/zinc/75/46/20/573754620.db2.gz BNGOVHAOSNXXIE-UHFFFAOYSA-N 0 0 195.331 2.833 10 30 AFEERN CC(C)(S)c1cccc(C#N)c1 238098186 573754719 /nfs/dbraw/zinc/75/47/19/573754719.db2.gz SIMYPPYBYMAAHK-UHFFFAOYSA-N 0 0 177.272 2.723 10 30 AFEERN Cc1ccc(Cl)cc1O[C@@H](C)C#N 84058791 573754768 /nfs/dbraw/zinc/75/47/68/573754768.db2.gz KVYYSBWERWUIOZ-QMMMGPOBSA-N 0 0 195.649 2.939 10 30 AFEERN C=C(Cl)CNC/C=C/c1ccco1 127056433 573754940 /nfs/dbraw/zinc/75/49/40/573754940.db2.gz RPGSNNNFSYHIJB-DUXPYHPUSA-N 0 0 197.665 2.635 10 30 AFEERN Cc1cc2c(CC#N)cccc2[nH]1 238499165 573755007 /nfs/dbraw/zinc/75/50/07/573755007.db2.gz JFKJQKOMRJRNAK-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN C=C(C)CCCNC(=O)OC(C)(C)C 238080812 573755028 /nfs/dbraw/zinc/75/50/28/573755028.db2.gz JGLDIOWMXFVDFI-UHFFFAOYSA-N 0 0 199.294 2.867 10 30 AFEERN Cc1ccsc1SCC#N 259183428 573755920 /nfs/dbraw/zinc/75/59/20/573755920.db2.gz XIFNVUDFPJZURF-UHFFFAOYSA-N 0 0 169.274 2.672 10 30 AFEERN Cc1ccc(Cl)cc1OCCC#N 84058788 573755194 /nfs/dbraw/zinc/75/51/94/573755194.db2.gz XBXFOAWTJRBUBZ-UHFFFAOYSA-N 0 0 195.649 2.941 10 30 AFEERN CC1=C2CCC[C@@H]2C[C@@H](C)C1=O 224645390 573755419 /nfs/dbraw/zinc/75/54/19/573755419.db2.gz AYVISBTVNUCDJS-VXNVDRBHSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@]1(C=O)CCCCC1=C 238098089 573755451 /nfs/dbraw/zinc/75/54/51/573755451.db2.gz IPXKDMFJVMXGJZ-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN C=CC[C@@H]1C[C@H](C)C(=O)C1(C)C 238498925 573755501 /nfs/dbraw/zinc/75/55/01/573755501.db2.gz OTNBEHZGWGSJHF-DTWKUNHWSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)(S)c1ccc([N+](=O)[O-])cc1 238098014 573755575 /nfs/dbraw/zinc/75/55/75/573755575.db2.gz YLNQHPXXKISSSY-UHFFFAOYSA-N 0 0 197.259 2.760 10 30 AFEERN C/C=C1/C[C@@H]2CCCC[C@H]2C1=O 238077845 573755645 /nfs/dbraw/zinc/75/56/45/573755645.db2.gz BCEYYASFDGJTLE-VWYLAUSYSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cnc(C(F)F)c(C#N)c1C 238499527 573755649 /nfs/dbraw/zinc/75/56/49/573755649.db2.gz ARUKLXMQYIYHDJ-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN Cc1ccc(F)c([C@H](C)CC=O)c1O 258121177 573755665 /nfs/dbraw/zinc/75/56/65/573755665.db2.gz QPLSBWCSRPUFOL-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN C=CC[C@@H]1C(=O)[C@@H]2CCCC[C@@H]12 238097766 573755672 /nfs/dbraw/zinc/75/56/72/573755672.db2.gz TWWFWZSXAWTSAZ-LPEHRKFASA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc2c(CC#N)nccc2s1 238499284 573755718 /nfs/dbraw/zinc/75/57/18/573755718.db2.gz BFADVOPQRXMDFJ-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN Cc1ccc(F)c(C2(C#N)CC2)c1 238499448 573755735 /nfs/dbraw/zinc/75/57/35/573755735.db2.gz JPTUSHOTSWRYPI-UHFFFAOYSA-N 0 0 175.206 2.689 10 30 AFEERN Cc1ccc2c(c1)[C@H]([C@@H](C)C=O)CC2 257868118 573755778 /nfs/dbraw/zinc/75/57/78/573755778.db2.gz SLRYIWGCTWYSTL-JQWIXIFHSA-N 0 0 188.270 2.860 10 30 AFEERN Cc1cc2c(CC#N)ncc(C)c2o1 238499203 573755807 /nfs/dbraw/zinc/75/58/07/573755807.db2.gz XHOPWAMEPSVQOZ-UHFFFAOYSA-N 0 0 186.214 2.511 10 30 AFEERN Cc1ccc2c(c1)[C@H]([C@H](C)C=O)CC2 257868121 573756030 /nfs/dbraw/zinc/75/60/30/573756030.db2.gz SLRYIWGCTWYSTL-PWSUYJOCSA-N 0 0 188.270 2.860 10 30 AFEERN CC1=C2CCC[C@H]2C[C@H](C)C1=O 224645348 573756095 /nfs/dbraw/zinc/75/60/95/573756095.db2.gz AYVISBTVNUCDJS-CBAPKCEASA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc2c(c1)[C@@H]([C@@H](C)C=O)CC2 257868115 573756137 /nfs/dbraw/zinc/75/61/37/573756137.db2.gz SLRYIWGCTWYSTL-CMPLNLGQSA-N 0 0 188.270 2.860 10 30 AFEERN Cc1nccc2cc(CCC=O)ccc12 258119169 573756140 /nfs/dbraw/zinc/75/61/40/573756140.db2.gz LYQMKSFFQYOJQN-UHFFFAOYSA-N 0 0 199.253 2.675 10 30 AFEERN C=C(C)C[C@@H]1CCCC[C@H]1C=O 238097949 573756168 /nfs/dbraw/zinc/75/61/68/573756168.db2.gz ZDODWNKSKVYDRM-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C1/CC[C@@H]2CC(=O)C=C[C@]12C 238077184 573756202 /nfs/dbraw/zinc/75/62/02/573756202.db2.gz FMSRTGMNFQAPQY-HSWQGUFNSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1CC=C[C@@]2(C)CC(=O)CC[C@H]12 238499381 573756352 /nfs/dbraw/zinc/75/63/52/573756352.db2.gz VUESWIZDVGZPHY-NEPJUHHUSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)C[C@@H]1CCCC(=O)C1=C 238097699 573756376 /nfs/dbraw/zinc/75/63/76/573756376.db2.gz AUMZYZUHVMFYOF-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN Cc1cc(N(C)CCS)ccc1F 258911852 573756417 /nfs/dbraw/zinc/75/64/17/573756417.db2.gz PIILVBXCPPQBSC-UHFFFAOYSA-N 0 0 199.294 2.500 10 30 AFEERN C/C=C1/CC[C@H]2CC(=O)C=C[C@@]12C 238077533 573756540 /nfs/dbraw/zinc/75/65/40/573756540.db2.gz FMSRTGMNFQAPQY-PPFFUWBBSA-N 0 0 176.259 2.878 10 30 AFEERN C/C=C1/CC[C@@H]2CC(=O)C=C[C@@]12C 238077217 573756681 /nfs/dbraw/zinc/75/66/81/573756681.db2.gz FMSRTGMNFQAPQY-GLVDQLAASA-N 0 0 176.259 2.878 10 30 AFEERN C/C=C1/CC[C@H]2CC(=O)C=C[C@]12C 238077505 573756687 /nfs/dbraw/zinc/75/66/87/573756687.db2.gz FMSRTGMNFQAPQY-VMXBDPKJSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@]12C=CC(=O)[C@]13CCC[C@@H]3CC2 238506233 573756739 /nfs/dbraw/zinc/75/67/39/573756739.db2.gz QZUNYFDFZPFOHC-ADEWGFFLSA-N 0 0 176.259 2.712 10 30 AFEERN CCCc1ccccc1C1(C=O)CC1 257866509 573756740 /nfs/dbraw/zinc/75/67/40/573756740.db2.gz SEBNKXPIWIVSQH-UHFFFAOYSA-N 0 0 188.270 2.870 10 30 AFEERN C=CC[C@]12CCCC(=O)[C@H]1CC2 238098322 573756853 /nfs/dbraw/zinc/75/68/53/573756853.db2.gz FSFOMJALTZCEGS-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cc2cc(C)c(C#N)cc2[nH]1 238506626 573756938 /nfs/dbraw/zinc/75/69/38/573756938.db2.gz ZYVMLQCOVRPUMQ-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN N#CCCNc1coc2ccccc12 258917615 573756950 /nfs/dbraw/zinc/75/69/50/573756950.db2.gz NBQZMIFKCIMGLO-UHFFFAOYSA-N 0 0 186.214 2.758 10 30 AFEERN Cc1cc2cc(C#N)cc(C)c2[nH]1 238506088 573757052 /nfs/dbraw/zinc/75/70/52/573757052.db2.gz NJQDWDIMHFGNJW-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN C=C1CC[C@@]2(C)CCCC(=O)[C@H]12 238506146 573757187 /nfs/dbraw/zinc/75/71/87/573757187.db2.gz AWGFEXXXHQTJHY-WDEREUQCSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cc(C#N)cc2cc(N)sc12 306705782 573757222 /nfs/dbraw/zinc/75/72/22/573757222.db2.gz PIJSAARCRNYXQA-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CC(C)Oc1cccc([C@@H](F)C=O)c1 257866453 573757314 /nfs/dbraw/zinc/75/73/14/573757314.db2.gz SAKARJKEWXKQER-NSHDSACASA-N 0 0 196.221 2.683 10 30 AFEERN Cc1ccc2c(c1)[C@@H]([C@H](C)C=O)CC2 257868124 573757381 /nfs/dbraw/zinc/75/73/81/573757381.db2.gz SLRYIWGCTWYSTL-ZYHUDNBSSA-N 0 0 188.270 2.860 10 30 AFEERN C=C[C@@H](O)c1ccc(Cl)c(C)c1 122511604 573757467 /nfs/dbraw/zinc/75/74/67/573757467.db2.gz CMWIZNQNMVVZQN-SNVBAGLBSA-N 0 0 182.650 2.868 10 30 AFEERN CC(C)OCCCCCS 87079493 573768017 /nfs/dbraw/zinc/76/80/17/573768017.db2.gz AYIIJTCXNFEBER-UHFFFAOYSA-N 0 0 162.298 2.512 10 30 AFEERN CCc1ccccc1N(C)CCC#N 259178045 573768074 /nfs/dbraw/zinc/76/80/74/573768074.db2.gz HGZNQGFWUSFQNJ-UHFFFAOYSA-N 0 0 188.274 2.599 10 30 AFEERN C=CC[C@H]1C(=O)c2ccccc21 238093765 573768105 /nfs/dbraw/zinc/76/81/05/573768105.db2.gz KWXAPNBPOZBRAW-SECBINFHSA-N 0 0 158.200 2.543 10 30 AFEERN CC(C)(C#N)Cc1ccncc1Cl 84089183 573768208 /nfs/dbraw/zinc/76/82/08/573768208.db2.gz ZKXQRVQBYVUGNS-UHFFFAOYSA-N 0 0 194.665 2.827 10 30 AFEERN C=CCCC(=O)c1cc(N)ccc1F 308713144 573768296 /nfs/dbraw/zinc/76/82/96/573768296.db2.gz ZVZMKYLDGGOHIF-UHFFFAOYSA-N 0 0 193.221 2.557 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1ccc(F)cc1 258927945 573768317 /nfs/dbraw/zinc/76/83/17/573768317.db2.gz AEZNTAUBMNJCFA-MNOVXSKESA-N 0 0 175.206 2.843 10 30 AFEERN CC(C)(C)OCCCCS 87079926 573768340 /nfs/dbraw/zinc/76/83/40/573768340.db2.gz SUOHRRAXEOBXIB-UHFFFAOYSA-N 0 0 162.298 2.512 10 30 AFEERN Cc1cc2ccc(C#N)c(C)c2[nH]1 238509201 573768365 /nfs/dbraw/zinc/76/83/65/573768365.db2.gz PPNFXMCVUBHSED-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN CCCC[C@@H](C)N(C)C1=CC(=O)CC1 308711787 573768597 /nfs/dbraw/zinc/76/85/97/573768597.db2.gz ZHABPFZYXHHWGV-SNVBAGLBSA-N 0 0 195.306 2.744 10 30 AFEERN CCC1(CC)[C@@H](C#N)C12CC2 259620570 573768640 /nfs/dbraw/zinc/76/86/40/573768640.db2.gz NNHIPYBQCOISFT-MRVPVSSYSA-N 0 0 149.237 2.726 10 30 AFEERN COCC1(CS)CCCCCC1 87079093 573770025 /nfs/dbraw/zinc/77/00/25/573770025.db2.gz SFFWFTBDBKCSEQ-UHFFFAOYSA-N 0 0 188.336 2.903 10 30 AFEERN C[C@@H]1CCC[C@@H](OCCS)C1 87080094 573770040 /nfs/dbraw/zinc/77/00/40/573770040.db2.gz OBECOUHUWGYNSY-RKDXNWHRSA-N 0 0 174.309 2.512 10 30 AFEERN CC(C)(S)CNc1ccccc1F 238097363 573769325 /nfs/dbraw/zinc/76/93/25/573769325.db2.gz LMZZSUTVVMSPLT-UHFFFAOYSA-N 0 0 199.294 2.946 10 30 AFEERN C[C@@]1(C#N)C[C@H]1C1CCCC1 258932749 573769326 /nfs/dbraw/zinc/76/93/26/573769326.db2.gz AZQGGLTVFZCAKW-UWVGGRQHSA-N 0 0 149.237 2.726 10 30 AFEERN C=CC(C)(C)Oc1ccc(O)cc1 238096488 573769425 /nfs/dbraw/zinc/76/94/25/573769425.db2.gz YCYJZRKGBAGFDG-UHFFFAOYSA-N 0 0 178.231 2.736 10 30 AFEERN C=CC[C@H]1CCC[C@@H]2C[C@@H]2C1=O 238097030 573769551 /nfs/dbraw/zinc/76/95/51/573769551.db2.gz RBXUSBLHXKKGCX-AEJSXWLSSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)C[C@@]1(C)C[C@@H]1C#N 258933777 573769570 /nfs/dbraw/zinc/76/95/70/573769570.db2.gz BEAQVFROTROADQ-BDAKNGLRSA-N 0 0 137.226 2.582 10 30 AFEERN CC1(C)C[C@]1(C#N)C1CCC1 258933639 573769577 /nfs/dbraw/zinc/76/95/77/573769577.db2.gz BDGOVLQEGNTUCR-JTQLQIEISA-N 0 0 149.237 2.726 10 30 AFEERN C=C(C)C[C@@H]1CC(=O)CC1(C)C 238097219 573769674 /nfs/dbraw/zinc/76/96/74/573769674.db2.gz YEQPEUJHWVAXFT-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C)OCC1(CS)CC1 87079936 573769694 /nfs/dbraw/zinc/76/96/94/573769694.db2.gz DAYGVVFFOGSAKJ-UHFFFAOYSA-N 0 0 174.309 2.512 10 30 AFEERN C=CC[C@H]1C[C@@H]2CCC[C@@H]2C1=O 238097326 573769742 /nfs/dbraw/zinc/76/97/42/573769742.db2.gz NGKCSIQBWYLPTF-GUBZILKMSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(C)c(C)c(OCCS)c1 87080308 573769811 /nfs/dbraw/zinc/76/98/11/573769811.db2.gz ITQGIHADHWPJDW-UHFFFAOYSA-N 0 0 196.315 2.920 10 30 AFEERN CCCCCOCCCS 87080512 573769823 /nfs/dbraw/zinc/76/98/23/573769823.db2.gz FKEKCFWMQWWYQR-UHFFFAOYSA-N 0 0 162.298 2.513 10 30 AFEERN C[C@H](CS)COc1ccccc1 87078516 573769906 /nfs/dbraw/zinc/76/99/06/573769906.db2.gz BQZYPJFYPMNYOI-VIFPVBQESA-N 0 0 182.288 2.631 10 30 AFEERN C[C@]1(C#N)C[C@H]1C1CCCC1 258932750 573770004 /nfs/dbraw/zinc/77/00/04/573770004.db2.gz AZQGGLTVFZCAKW-VHSXEESVSA-N 0 0 149.237 2.726 10 30 AFEERN CC[C@@H](C)SCCCS 87097170 573773474 /nfs/dbraw/zinc/77/34/74/573773474.db2.gz YNAWJEBPKRLHNZ-SSDOTTSWSA-N 0 0 164.339 2.838 10 30 AFEERN C=CC[C@H]([NH2+]CCC)c1cnsc1 404898361 573773511 /nfs/dbraw/zinc/77/35/11/573773511.db2.gz ZQKTUJPKPNAKPM-JTQLQIEISA-N 0 0 196.319 2.760 10 30 AFEERN CCCSC[C@H](C)CS 87097130 573773551 /nfs/dbraw/zinc/77/35/51/573773551.db2.gz LUSOQOUSXCMWJI-SSDOTTSWSA-N 0 0 164.339 2.696 10 30 AFEERN C=CC[C@@H]([NH2+]CCC)c1cnsc1 404898362 573773576 /nfs/dbraw/zinc/77/35/76/573773576.db2.gz ZQKTUJPKPNAKPM-SNVBAGLBSA-N 0 0 196.319 2.760 10 30 AFEERN C[C@]12CCCC[C@H]1C[C@H](C=O)C2 238511592 573773585 /nfs/dbraw/zinc/77/35/85/573773585.db2.gz UGABEMFPWPMUBP-GARJFASQSA-N 0 0 166.264 2.792 10 30 AFEERN CCCCCCCOCCC#N 100119923 573773610 /nfs/dbraw/zinc/77/36/10/573773610.db2.gz NFUAZZQTQSWMCE-UHFFFAOYSA-N 0 0 169.268 2.887 10 30 AFEERN C=Cc1c(C)nc(C)nc1N=[N+]=[N-] 238510854 573773644 /nfs/dbraw/zinc/77/36/44/573773644.db2.gz MDWJFVJPGWVRJD-UHFFFAOYSA-N 0 0 175.195 2.678 10 30 AFEERN CCSCCCCCS 87097211 573773672 /nfs/dbraw/zinc/77/36/72/573773672.db2.gz JBDZEJSMMILDGI-UHFFFAOYSA-N 0 0 164.339 2.840 10 30 AFEERN CC(C)(C#N)c1cccc2[nH]ccc12 238101550 573773711 /nfs/dbraw/zinc/77/37/11/573773711.db2.gz BRPLOUJZJFSMFQ-UHFFFAOYSA-N 0 0 184.242 2.969 10 30 AFEERN CCCSCC1(CS)CC1 87097135 573773769 /nfs/dbraw/zinc/77/37/69/573773769.db2.gz HMBSZMJJRVKQRS-UHFFFAOYSA-N 0 0 176.350 2.840 10 30 AFEERN C=C[C@@H]([NH3+])c1cc2cc(C)ccc2[nH]1 238510323 573773819 /nfs/dbraw/zinc/77/38/19/573773819.db2.gz CAGZTZRKAYAWFB-SNVBAGLBSA-N 0 0 186.258 2.662 10 30 AFEERN CCCSC/C=C/CS 87097131 573773829 /nfs/dbraw/zinc/77/38/29/573773829.db2.gz KPXWPUFCMONMDL-ONEGZZNKSA-N 0 0 162.323 2.616 10 30 AFEERN CCC(C)=CC(=O)c1ncccc1F 131159299 573773846 /nfs/dbraw/zinc/77/38/46/573773846.db2.gz CAOBRBJGRRVTIV-UHFFFAOYSA-N 0 0 193.221 2.760 10 30 AFEERN Cc1ccnn1CCCCCCS 87094863 573773881 /nfs/dbraw/zinc/77/38/81/573773881.db2.gz CGEURLJPCMCQQD-UHFFFAOYSA-N 0 0 198.335 2.682 10 30 AFEERN C=CC[C@@H](C)[C@H](O)Cc1ccsc1 715010565 573773919 /nfs/dbraw/zinc/77/39/19/573773919.db2.gz OTCGAXKBNHNHDZ-MWLCHTKSSA-N 0 0 196.315 2.864 10 30 AFEERN CC(C)(C#N)c1cccc2cc[nH]c12 238101594 573773928 /nfs/dbraw/zinc/77/39/28/573773928.db2.gz SMZBFSAZCPYWMJ-UHFFFAOYSA-N 0 0 184.242 2.969 10 30 AFEERN Cc1ccccc1Nc1nocc1C#N 259567593 573773933 /nfs/dbraw/zinc/77/39/33/573773933.db2.gz AELBHWOTFGKLOL-UHFFFAOYSA-N 0 0 199.213 2.598 10 30 AFEERN CSCC[C@H](C)CCS 87098389 573775025 /nfs/dbraw/zinc/77/50/25/573775025.db2.gz WVMBBGKROMNRKO-SSDOTTSWSA-N 0 0 164.339 2.696 10 30 AFEERN N#CC[C@H](O)c1cccc(C(F)F)c1 125077904 573775073 /nfs/dbraw/zinc/77/50/73/573775073.db2.gz QQGKRUYPVYYOEM-VIFPVBQESA-N 0 0 197.184 2.571 10 30 AFEERN SCCCSC1CCCC1 87098638 573775089 /nfs/dbraw/zinc/77/50/89/573775089.db2.gz CZLUQXSZPXPZRD-UHFFFAOYSA-N 0 0 176.350 2.982 10 30 AFEERN C[C@]1(CC#N)[C@@H]2CC[C@@]1(C)/C(=N\O)C2 100099534 573775094 /nfs/dbraw/zinc/77/50/94/573775094.db2.gz FGPNWCOUEXKKAK-YESOJXLMSA-N 0 0 192.262 2.557 10 30 AFEERN C[C@]12CCCC[C@H]1C[C@@H](C=O)C2 238511455 573775127 /nfs/dbraw/zinc/77/51/27/573775127.db2.gz UGABEMFPWPMUBP-OUAUKWLOSA-N 0 0 166.264 2.792 10 30 AFEERN CC(C)SCCCCS 87097719 573775219 /nfs/dbraw/zinc/77/52/19/573775219.db2.gz JBMGMZPXXLWDAU-UHFFFAOYSA-N 0 0 164.339 2.838 10 30 AFEERN CC(C)CSC[C@@H](C)CS 87096916 573775247 /nfs/dbraw/zinc/77/52/47/573775247.db2.gz UMRHVWGQMWFCIZ-QMMMGPOBSA-N 0 0 178.366 2.942 10 30 AFEERN CC(C)(C#N)c1ccc(O)c(Cl)c1 238100168 573775262 /nfs/dbraw/zinc/77/52/62/573775262.db2.gz LMLGGOCPEQPILF-UHFFFAOYSA-N 0 0 195.649 2.847 10 30 AFEERN Cn1ccc2cc(CS)ccc21 259179147 573775323 /nfs/dbraw/zinc/77/53/23/573775323.db2.gz LLZPNMJTRHOBOP-UHFFFAOYSA-N 0 0 177.272 2.608 10 30 AFEERN CC(C)CSC/C=C/CS 87096924 573775368 /nfs/dbraw/zinc/77/53/68/573775368.db2.gz VIGKOFUNDXKLIR-ONEGZZNKSA-N 0 0 176.350 2.862 10 30 AFEERN CC(C)(C)SCCCS 87097103 573775442 /nfs/dbraw/zinc/77/54/42/573775442.db2.gz QDLIHENJGNDEIS-UHFFFAOYSA-N 0 0 164.339 2.838 10 30 AFEERN Cc1nc(C)c(C(F)F)cc1CC#N 238510210 573775543 /nfs/dbraw/zinc/77/55/43/573775543.db2.gz UKBJNJLJQFODOI-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN Cc1ccc([C@@H](CC#N)N(C)C)cc1 259567744 573775680 /nfs/dbraw/zinc/77/56/80/573775680.db2.gz PBDPEDLQTUYXNV-GFCCVEGCSA-N 0 0 188.274 2.511 10 30 AFEERN C[C@H]1CCC[C@@H](n2cc(C#N)cn2)C1 238503855 573781909 /nfs/dbraw/zinc/78/19/09/573781909.db2.gz VUPDTTRGRZFAKK-GXSJLCMTSA-N 0 0 189.262 2.506 10 30 AFEERN O=CC[C@H]1CCCc2ccc(F)cc21 108373066 573781987 /nfs/dbraw/zinc/78/19/87/573781987.db2.gz HPIIZXHATOFFRF-SNVBAGLBSA-N 0 0 192.233 2.835 10 30 AFEERN CC=C(CC)C(=O)Cc1ccccn1 308432403 573782375 /nfs/dbraw/zinc/78/23/75/573782375.db2.gz FXPBCSQDDRVYCY-XCVCLJGOSA-N 0 0 189.258 2.550 10 30 AFEERN C=CC(=C)[C@H]1C[C@@H](CC=O)C1(C)C 215406947 573782523 /nfs/dbraw/zinc/78/25/23/573782523.db2.gz IRHSNVFRZQZDOX-GHMZBOCLSA-N 0 0 178.275 2.980 10 30 AFEERN CCc1sc(N(C)C)c(C#N)c1C 259570445 573782612 /nfs/dbraw/zinc/78/26/12/573782612.db2.gz XTFCQGCIQJYISD-UHFFFAOYSA-N 0 0 194.303 2.557 10 30 AFEERN C=C[C@@H]1CC2(CCCCC2)C1=O 238112803 573782642 /nfs/dbraw/zinc/78/26/42/573782642.db2.gz QDJNYZBORDZPKX-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H]1C[C@@H]1C(=O)C1CCCCC1 238109283 573783901 /nfs/dbraw/zinc/78/39/01/573783901.db2.gz XJNMAPSTMQHAAD-KOLCDFICSA-N 0 0 178.275 2.958 10 30 AFEERN O=CC[C@H]1CCCc2cc(F)ccc21 108373047 573783916 /nfs/dbraw/zinc/78/39/16/573783916.db2.gz GETZWZODUNJRCE-SECBINFHSA-N 0 0 192.233 2.835 10 30 AFEERN C=CCC[C@@H](NN)C(C)(C)C(C)(C)C 308742048 573783919 /nfs/dbraw/zinc/78/39/19/573783919.db2.gz PKJHIXZPWGMQJY-SNVBAGLBSA-N 0 0 198.354 2.857 10 30 AFEERN C[C@@]1(c2c[nH]c3ccccc23)C[C@H]1C#N 258947157 573783923 /nfs/dbraw/zinc/78/39/23/573783923.db2.gz DIMOEKZQTFSDIG-TVQRCGJNSA-N 0 0 196.253 2.969 10 30 AFEERN CC=CC(=O)Cc1cc(C)ccc1C 308431152 573783941 /nfs/dbraw/zinc/78/39/41/573783941.db2.gz DJCRHGZUAYVOCR-PLNGDYQASA-N 0 0 188.270 2.991 10 30 AFEERN CC(C)c1[nH]c(Cl)cc1C#N 259570425 573784038 /nfs/dbraw/zinc/78/40/38/573784038.db2.gz DEKQXOFXSGCPQJ-UHFFFAOYSA-N 0 0 168.627 2.663 10 30 AFEERN C[C@]1(c2c[nH]c3ccccc23)C[C@@H]1C#N 258947153 573784090 /nfs/dbraw/zinc/78/40/90/573784090.db2.gz DIMOEKZQTFSDIG-RNCFNFMXSA-N 0 0 196.253 2.969 10 30 AFEERN CC=CC(=O)C=C1CCCC1 100242207 573784095 /nfs/dbraw/zinc/78/40/95/573784095.db2.gz UKZLFSPGDPKMOM-DJWKRKHSSA-N 0 0 150.221 2.632 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1cccs1 258946515 573784207 /nfs/dbraw/zinc/78/42/07/573784207.db2.gz DHKSYDDIHAAGET-CBAPKCEASA-N 0 0 163.245 2.765 10 30 AFEERN O=CC[C@@H]1CCCc2cc(F)ccc21 108373049 573784257 /nfs/dbraw/zinc/78/42/57/573784257.db2.gz GETZWZODUNJRCE-VIFPVBQESA-N 0 0 192.233 2.835 10 30 AFEERN CC(C)C1=CC[C@@](C)(CC=O)C1 238109445 573784345 /nfs/dbraw/zinc/78/43/45/573784345.db2.gz YXERJQBCXUFGRX-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN CC/C=C\C(=O)CCC[C@H]1CCCO1 308432113 573784389 /nfs/dbraw/zinc/78/43/89/573784389.db2.gz GEILXNUKEUWCSH-RYBZSIHZSA-N 0 0 196.290 2.871 10 30 AFEERN C=C(C)[C@@H](O)C(F)(F)c1ccccc1 238114688 573787113 /nfs/dbraw/zinc/78/71/13/573787113.db2.gz VUDLFLLMYAKAHZ-SNVBAGLBSA-N 0 0 198.212 2.715 10 30 AFEERN N#Cc1sc2ccccc2c1C#N 306189695 573787132 /nfs/dbraw/zinc/78/71/32/573787132.db2.gz JMJLQBWRHVDSGG-UHFFFAOYSA-N 0 0 184.223 2.645 10 30 AFEERN C[C@@H](C#N)[C@@H]1CCc2sccc21 259568427 573787140 /nfs/dbraw/zinc/78/71/40/573787140.db2.gz DBBBFXVKJPLAOT-YUMQZZPRSA-N 0 0 177.272 2.938 10 30 AFEERN O=C[C@H](c1ccccc1)C1(Cl)CC1 238516973 573787231 /nfs/dbraw/zinc/78/72/31/573787231.db2.gz FSVLSVFIESOPFX-SNVBAGLBSA-N 0 0 194.661 2.741 10 30 AFEERN C=C[C@@H]1CC[C@@H]2CC(=O)CCC[C@@H]12 238113667 573787248 /nfs/dbraw/zinc/78/72/48/573787248.db2.gz WNJCBBXAOFOYAF-FOGDFJRCSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cc(C)c(N(C)CS)cc1C 258941974 573787250 /nfs/dbraw/zinc/78/72/50/573787250.db2.gz QLQLKJQQIHMVQV-UHFFFAOYSA-N 0 0 195.331 2.935 10 30 AFEERN C=C[C@@H]1CC[C@@H]2CC(=O)CC[C@@H]12 238113706 573787256 /nfs/dbraw/zinc/78/72/56/573787256.db2.gz XQRRKJKXSCXZJJ-KKZNHRDASA-N 0 0 164.248 2.568 10 30 AFEERN C=CCC[C@H](CCC)Nc1c[nH]cn1 308723560 573787272 /nfs/dbraw/zinc/78/72/72/573787272.db2.gz FKNJCFYBOUVTPI-JTQLQIEISA-N 0 0 193.294 2.957 10 30 AFEERN C=C[C@@H]1CC[C@H]2CCC(=O)C[C@@H]12 238114267 573787415 /nfs/dbraw/zinc/78/74/15/573787415.db2.gz JKYXADGKXBPNAC-YWVKMMECSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(C)c(NCS)cc1C 258941794 573787488 /nfs/dbraw/zinc/78/74/88/573787488.db2.gz QHVLKNPJYFVHIZ-UHFFFAOYSA-N 0 0 181.304 2.911 10 30 AFEERN C[C@H](C#N)[C@@H]1CCc2sccc21 259568424 573787497 /nfs/dbraw/zinc/78/74/97/573787497.db2.gz DBBBFXVKJPLAOT-SFYZADRCSA-N 0 0 177.272 2.938 10 30 AFEERN Cc1ccc([C@H]2C[C@@]2(C)C#N)o1 258942050 573787641 /nfs/dbraw/zinc/78/76/41/573787641.db2.gz CQMBXSYKJNGCQW-SCZZXKLOSA-N 0 0 161.204 2.605 10 30 AFEERN C=CCC(C)(C)[C@H](O)C(=C)C 238114405 573787649 /nfs/dbraw/zinc/78/76/49/573787649.db2.gz CCWNHUPSVYOYBZ-SECBINFHSA-N 0 0 154.253 2.526 10 30 AFEERN C=CC[C@H](O)/C=C/C(C)(C)C 238113471 573787689 /nfs/dbraw/zinc/78/76/89/573787689.db2.gz FIMYWTFMNPYMIN-FLOXNTQESA-N 0 0 154.253 2.526 10 30 AFEERN Cc1cccc(CCC=O)c1Cl 238518039 573787761 /nfs/dbraw/zinc/78/77/61/573787761.db2.gz DFEDICDTNHYPRF-UHFFFAOYSA-N 0 0 182.650 2.780 10 30 AFEERN C=C[C@@H]1CC[C@H]2CC(=O)CC[C@@H]12 238114239 573787792 /nfs/dbraw/zinc/78/77/92/573787792.db2.gz XQRRKJKXSCXZJJ-YWVKMMECSA-N 0 0 164.248 2.568 10 30 AFEERN CC(=O)C=CNc1cccc(Cl)c1 238114978 573787814 /nfs/dbraw/zinc/78/78/14/573787814.db2.gz XNQUVJJKEVRYPX-AATRIKPKSA-N 0 0 195.649 2.855 10 30 AFEERN Cc1c(C#N)ccc2c1SC(=O)C2 306713025 573794333 /nfs/dbraw/zinc/79/43/33/573794333.db2.gz ZRXFOAQDBRGQGN-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN CC(C)C[C@@H](C=O)CC1CC1 78639689 573794415 /nfs/dbraw/zinc/79/44/15/573794415.db2.gz RYUBWQLNLBGZDA-SNVBAGLBSA-N 0 0 154.253 2.648 10 30 AFEERN C=CC[C@@H](C)C1(CO)CC=CC1 715011010 573794479 /nfs/dbraw/zinc/79/44/79/573794479.db2.gz QZJUVLYUJYUAEZ-SNVBAGLBSA-N 0 0 166.264 2.527 10 30 AFEERN C[C@@H]1CCCC/C1=[NH+]/CCCC(=O)[O-] 308441330 573794501 /nfs/dbraw/zinc/79/45/01/573794501.db2.gz FPOVWFNIKZIKOL-IHHQEMEHSA-N 0 0 197.278 2.502 10 30 AFEERN COc1ccc(C(F)(F)C#N)cc1C 258945686 573794555 /nfs/dbraw/zinc/79/45/55/573794555.db2.gz DFDUBERCMGAZMV-UHFFFAOYSA-N 0 0 197.184 2.619 10 30 AFEERN C=C[C@H]1C(=O)C(C)=CC[C@H]1C(=C)C 238119569 573794763 /nfs/dbraw/zinc/79/47/63/573794763.db2.gz BSKZLJCRJAHGHM-MNOVXSKESA-N 0 0 176.259 2.900 10 30 AFEERN CC1=CC(=O)CCC1=C(C)C 238120150 573794991 /nfs/dbraw/zinc/79/49/91/573794991.db2.gz YFEPFZUOZBTZEM-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CCCCC=NNCCC(F)(F)F 308441505 573795090 /nfs/dbraw/zinc/79/50/90/573795090.db2.gz ZBDAMJQMKFPPOZ-UHFFFAOYSA-N 0 0 196.216 2.704 10 30 AFEERN C=C(C)C[C@H]1O[C@H](O)c2ccccc21 238104165 573795237 /nfs/dbraw/zinc/79/52/37/573795237.db2.gz IVEBATFJXPOZRP-NEPJUHHUSA-N 0 0 190.242 2.715 10 30 AFEERN Cc1c(C#N)ccc2ccoc12 238520398 573795283 /nfs/dbraw/zinc/79/52/83/573795283.db2.gz ZLQQTIKYRUNYCR-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN C/C=C\C(=O)[C@@H]1C[C@@H]1c1ccccc1 308440917 573795327 /nfs/dbraw/zinc/79/53/27/573795327.db2.gz ZSJNTNQQYYDBTE-GBHJXGPPSA-N 0 0 186.254 2.935 10 30 AFEERN CC(C)(C#N)c1ccc2[nH]ccc2c1 238102344 573795342 /nfs/dbraw/zinc/79/53/42/573795342.db2.gz VRHHKEXERBIPMO-UHFFFAOYSA-N 0 0 184.242 2.969 10 30 AFEERN CC(=O)C1=C(C(C)C)CC[C@H]1C 238104489 573795373 /nfs/dbraw/zinc/79/53/73/573795373.db2.gz UQUCJJORRVIMDM-MRVPVSSYSA-N 0 0 166.264 2.958 10 30 AFEERN SCc1ccc2ncsc2c1 78639132 573795387 /nfs/dbraw/zinc/79/53/87/573795387.db2.gz DHFRMESCYRTTJW-UHFFFAOYSA-N 0 0 181.285 2.726 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1ccc2[nH]cnc2c1 258949545 573795423 /nfs/dbraw/zinc/79/54/23/573795423.db2.gz DTJBHUFHYVZPPD-SKDRFNHKSA-N 0 0 197.241 2.580 10 30 AFEERN CC(=O)C1=C(C(C)C)C1(C)C 238104416 573795485 /nfs/dbraw/zinc/79/54/85/573795485.db2.gz QIVPLBQKNDNWHU-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 238104750 573795525 /nfs/dbraw/zinc/79/55/25/573795525.db2.gz XPSPXATVNAWTPI-UTLUCORTSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)(C#N)c1ccc2cc[nH]c2c1 238102389 573795552 /nfs/dbraw/zinc/79/55/52/573795552.db2.gz QGNMMKKUFUJNSE-UHFFFAOYSA-N 0 0 184.242 2.969 10 30 AFEERN C=C[C@@H]1C(=O)C(C)=CC[C@H]1C(=C)C 238119663 573795594 /nfs/dbraw/zinc/79/55/94/573795594.db2.gz BSKZLJCRJAHGHM-QWRGUYRKSA-N 0 0 176.259 2.900 10 30 AFEERN C[C@@H](CCC=O)[C@H]1CC[C@@](C)(O)CC1 393563129 573795599 /nfs/dbraw/zinc/79/55/99/573795599.db2.gz JDYVKNVJHUONOV-SDDRHHMPSA-N 0 0 198.306 2.543 10 30 AFEERN C/C=C\C(=O)[C@@H]1C[C@H]1c1ccccc1 308440918 573795732 /nfs/dbraw/zinc/79/57/32/573795732.db2.gz ZSJNTNQQYYDBTE-KCBFHXECSA-N 0 0 186.254 2.935 10 30 AFEERN CC[C@@H]1CCCC1=NNC(C)(C)C 393590480 573795748 /nfs/dbraw/zinc/79/57/48/573795748.db2.gz NLAFNACAZQPTHK-SECBINFHSA-N 0 0 182.311 2.941 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1ccc2[nH]cnc2c1 258949531 573795790 /nfs/dbraw/zinc/79/57/90/573795790.db2.gz DTJBHUFHYVZPPD-BXKDBHETSA-N 0 0 197.241 2.580 10 30 AFEERN C=C(C)C[C@@H]1C(=O)C[C@H]2CCC[C@@H]12 238104691 573795829 /nfs/dbraw/zinc/79/58/29/573795829.db2.gz PPZXOYWZTINPCL-MXWKQRLJSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H](CCC=O)[C@H]1CC[C@@](C)(O)CC1 393563130 573795995 /nfs/dbraw/zinc/79/59/95/573795995.db2.gz JDYVKNVJHUONOV-UTUOFQBUSA-N 0 0 198.306 2.543 10 30 AFEERN C=C(C)C[C@H]1CCCC[C@H]1C=O 238103745 573796060 /nfs/dbraw/zinc/79/60/60/573796060.db2.gz ZDODWNKSKVYDRM-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=C)C(=O)CC(C)C 238119403 573796092 /nfs/dbraw/zinc/79/60/92/573796092.db2.gz CXOUCYFSUHFLMD-UHFFFAOYSA-N 0 0 152.237 2.734 10 30 AFEERN CC=CC(=O)Cc1ccc(CC)cc1 308442627 573796212 /nfs/dbraw/zinc/79/62/12/573796212.db2.gz KIOGZRGQQSSMOF-HYXAFXHYSA-N 0 0 188.270 2.937 10 30 AFEERN Cc1ccc([C@H]2C[C@@H]2C#N)c(C)c1 259192346 573803807 /nfs/dbraw/zinc/80/38/07/573803807.db2.gz PTPWHJYYIPRLPX-PWSUYJOCSA-N 0 0 171.243 2.931 10 30 AFEERN C=C(CC)C[C@H](O)c1ncccc1F 131251901 573803844 /nfs/dbraw/zinc/80/38/44/573803844.db2.gz NROVVFDQOXFFQY-JTQLQIEISA-N 0 0 195.237 2.610 10 30 AFEERN CC(C)(C#N)C[C@@H]1CCCC(=O)C1 238128264 573803877 /nfs/dbraw/zinc/80/38/77/573803877.db2.gz QWUUVJJCAFFCFJ-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@@]1(c2ccc3ncoc3c2)C[C@H]1C#N 258957004 573803946 /nfs/dbraw/zinc/80/39/46/573803946.db2.gz GBJIMQAYICQIHT-CABZTGNLSA-N 0 0 198.225 2.629 10 30 AFEERN C=CC(C)(C)C[C@@]12C[C@@H]1CCC2=O 238128770 573803976 /nfs/dbraw/zinc/80/39/76/573803976.db2.gz SLEGPLKGNHTXHE-CABZTGNLSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)=C1C(=O)C2CCC1CC2 238127987 573804007 /nfs/dbraw/zinc/80/40/07/573804007.db2.gz GVEBTLXSGDHOHQ-UHFFFAOYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)[C@@H]1CCC[C@H](O)CC1 238123732 573804015 /nfs/dbraw/zinc/80/40/15/573804015.db2.gz HKQUOEKCZIDRKQ-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN C[C@@]1(c2ccc3ncoc3c2)C[C@@H]1C#N 258957009 573804133 /nfs/dbraw/zinc/80/41/33/573804133.db2.gz GBJIMQAYICQIHT-SKDRFNHKSA-N 0 0 198.225 2.629 10 30 AFEERN CC1=C(C)c2ccc(C)cc2C1=O 238516183 573804136 /nfs/dbraw/zinc/80/41/36/573804136.db2.gz GPOOBCJRQYRMBR-UHFFFAOYSA-N 0 0 172.227 2.985 10 30 AFEERN C=C[C@H](C)[C@H](O)/C=C/c1ccccc1 33844951 573804175 /nfs/dbraw/zinc/80/41/75/573804175.db2.gz BMMIGKFGBQCORF-IMYBMRPDSA-N 0 0 188.270 2.883 10 30 AFEERN N#CCc1nc(Cl)c(Cl)s1 238516300 573804278 /nfs/dbraw/zinc/80/42/78/573804278.db2.gz FBIJEZRPALNKKX-UHFFFAOYSA-N 0 0 193.058 2.516 10 30 AFEERN Cc1ccc(N=[N+]=[N-])c(C)n1 238515960 573804320 /nfs/dbraw/zinc/80/43/20/573804320.db2.gz JAHODQMULYKEKI-UHFFFAOYSA-N 0 0 148.169 2.640 10 30 AFEERN Cc1ccc([C@H]2C[C@H]2C#N)c(C)c1 259192342 573804351 /nfs/dbraw/zinc/80/43/51/573804351.db2.gz PTPWHJYYIPRLPX-JQWIXIFHSA-N 0 0 171.243 2.931 10 30 AFEERN C=C[C@H]1CSc2ccccc2N1 238127291 573804382 /nfs/dbraw/zinc/80/43/82/573804382.db2.gz HEWIIMBGQSTLDL-QMMMGPOBSA-N 0 0 177.272 2.759 10 30 AFEERN CC(C)c1c(CC#N)nc2ccccn12 214981338 573804388 /nfs/dbraw/zinc/80/43/88/573804388.db2.gz JLEGTGYYYWHSLX-UHFFFAOYSA-N 0 0 199.257 2.524 10 30 AFEERN CCO[C@@H](C(=O)C=C(C)C)C(C)(C)C 132252583 573804394 /nfs/dbraw/zinc/80/43/94/573804394.db2.gz LVFDMQOAVLSOIS-NSHDSACASA-N 0 0 198.306 2.973 10 30 AFEERN Cc1ccc(C#Cc2ccc[nH]2)cc1 238528375 573804419 /nfs/dbraw/zinc/80/44/19/573804419.db2.gz NCZFJPVHUQMDRX-UHFFFAOYSA-N 0 0 181.238 2.723 10 30 AFEERN COc1cc(F)cc([C@H](C)CC=O)c1 258133616 573805333 /nfs/dbraw/zinc/80/53/33/573805333.db2.gz RPGQVMZJMHGFCL-MRVPVSSYSA-N 0 0 196.221 2.527 10 30 AFEERN CC(=O)c1cc(C#N)ccc1N=[N+]=[N-] 238128586 573804588 /nfs/dbraw/zinc/80/45/88/573804588.db2.gz LBVHOKWEHDTJHA-UHFFFAOYSA-N 0 0 186.174 2.703 10 30 AFEERN N#C[C@H]1CCCCCC1(F)F 259622018 573804597 /nfs/dbraw/zinc/80/45/97/573804597.db2.gz GFVVNEHJWYDCOW-SSDOTTSWSA-N 0 0 159.179 2.726 10 30 AFEERN C[C@]1(c2ccc3ncoc3c2)C[C@@H]1C#N 258957002 573804652 /nfs/dbraw/zinc/80/46/52/573804652.db2.gz GBJIMQAYICQIHT-BXKDBHETSA-N 0 0 198.225 2.629 10 30 AFEERN C/C(CCc1ccc(C)cc1)=N/O 100469248 573804659 /nfs/dbraw/zinc/80/46/59/573804659.db2.gz OOEIOGLOQXVOGL-BENRWUELSA-N 0 0 177.247 2.778 10 30 AFEERN O=CC[C@]12CCC[C@H]1C2(Cl)Cl 238515943 573804675 /nfs/dbraw/zinc/80/46/75/573804675.db2.gz AVHWIUSFDSGZJC-RNFRBKRXSA-N 0 0 193.073 2.549 10 30 AFEERN C=C(CC=O)c1ccc(Cl)cc1 258134669 573804703 /nfs/dbraw/zinc/80/47/03/573804703.db2.gz JGEHJADHEZIYDM-UHFFFAOYSA-N 0 0 180.634 2.942 10 30 AFEERN Cc1ccc(C#CC2CC2)c(C=O)c1 238528135 573804705 /nfs/dbraw/zinc/80/47/05/573804705.db2.gz VNKIPNRRHWSVNL-UHFFFAOYSA-N 0 0 184.238 2.569 10 30 AFEERN CCO[C@H](C(=O)C=C(C)C)C(C)(C)C 132252814 573804786 /nfs/dbraw/zinc/80/47/86/573804786.db2.gz LVFDMQOAVLSOIS-LLVKDONJSA-N 0 0 198.306 2.973 10 30 AFEERN C=C1C(=O)C[C@@]2(C)CCC[C@@]12C 238515964 573804953 /nfs/dbraw/zinc/80/49/53/573804953.db2.gz ZIAKFHXGJJVCRA-MNOVXSKESA-N 0 0 164.248 2.712 10 30 AFEERN O=CC[C@@]12CCC[C@@H]1C2(Cl)Cl 238516622 573806890 /nfs/dbraw/zinc/80/68/90/573806890.db2.gz AVHWIUSFDSGZJC-BQBZGAKWSA-N 0 0 193.073 2.549 10 30 AFEERN CO[C@](C)(CC=O)CC1CCCC1 257878970 573807014 /nfs/dbraw/zinc/80/70/14/573807014.db2.gz LQYXAUYABFDQCP-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN Cc1csc([C@@H](C#N)C(C)C)n1 259196870 573807120 /nfs/dbraw/zinc/80/71/20/573807120.db2.gz KUUFNYSWKYJMEI-QMMMGPOBSA-N 0 0 180.276 2.715 10 30 AFEERN C#C[C@H](O)/C(C)=C\[C@@H](C)C[C@H](C)CC 308443693 573807169 /nfs/dbraw/zinc/80/71/69/573807169.db2.gz ISSDUAOIYFHSPX-LLOYMPNGSA-N 0 0 194.318 2.999 10 30 AFEERN N#CCc1c(F)cc2cc[nH]c2c1F 258136233 573807288 /nfs/dbraw/zinc/80/72/88/573807288.db2.gz RZZKECQRTWKCDM-UHFFFAOYSA-N 0 0 192.168 2.512 10 30 AFEERN C=CCCC[C@@H](O)c1ncccc1F 131262482 573807535 /nfs/dbraw/zinc/80/75/35/573807535.db2.gz ARVAUXCJNHRTEC-SNVBAGLBSA-N 0 0 195.237 2.610 10 30 AFEERN C=C(C)[C@@H]1CCC(=O)[C@@H]2CCC[C@H]12 238121443 573808382 /nfs/dbraw/zinc/80/83/82/573808382.db2.gz GRFVJVRKXIZBLO-HBNTYKKESA-N 0 0 178.275 2.958 10 30 AFEERN CCc1ccc(CN(C)CS)cc1 258955615 573808388 /nfs/dbraw/zinc/80/83/88/573808388.db2.gz SABKETCNGKZAFH-UHFFFAOYSA-N 0 0 195.331 2.568 10 30 AFEERN C#C[C@@H](O)/C(C)=C\[C@@H](C)C[C@H](C)CC 308443694 573807736 /nfs/dbraw/zinc/80/77/36/573807736.db2.gz ISSDUAOIYFHSPX-MWCQDXLFSA-N 0 0 194.318 2.999 10 30 AFEERN Oc1ccc2cc(CS)oc2c1 258136986 573807769 /nfs/dbraw/zinc/80/77/69/573807769.db2.gz VLUHWIDCSWJLJU-UHFFFAOYSA-N 0 0 180.228 2.568 10 30 AFEERN CO[C@@](C)(CC=O)CC1CCCC1 257878984 573807842 /nfs/dbraw/zinc/80/78/42/573807842.db2.gz LQYXAUYABFDQCP-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN Cc1ccc2ccoc2c1C#N 238530212 573808280 /nfs/dbraw/zinc/80/82/80/573808280.db2.gz RMKDGLSDPPCGAZ-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN C=CCC1=C[C@H](CC=C)N=C(Cl)N1 238510449 573810227 /nfs/dbraw/zinc/81/02/27/573810227.db2.gz JAQSCZSYCMPHLK-QMMMGPOBSA-N 0 0 196.681 2.589 10 30 AFEERN C[C@@H]1C[C@]1(C#N)CC(C)(C)C 259622096 573810943 /nfs/dbraw/zinc/81/09/43/573810943.db2.gz NODNVIPGMBJENJ-PSASIEDQSA-N 0 0 151.253 2.972 10 30 AFEERN CC(C)=C1C[C@@]2(C)CC[C@H]2C1=O 238128955 573810306 /nfs/dbraw/zinc/81/03/06/573810306.db2.gz KRLKIDNYLQMCOT-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H](O)/C=C/c1ccc(C)cc1 238529197 573810343 /nfs/dbraw/zinc/81/03/43/573810343.db2.gz FHJGUAWGEPOEIS-IDVQTMNDSA-N 0 0 174.243 2.555 10 30 AFEERN COc1cc(C)cc([C@H](C)CC=O)c1 258138450 573810439 /nfs/dbraw/zinc/81/04/39/573810439.db2.gz SCLNNHLZVVPOOT-SNVBAGLBSA-N 0 0 192.258 2.696 10 30 AFEERN C#Cc1ccc(C(C)(C)C)cc1C=O 238120931 573810444 /nfs/dbraw/zinc/81/04/44/573810444.db2.gz DMKSTWHWIRHVDX-UHFFFAOYSA-N 0 0 186.254 2.778 10 30 AFEERN CCC(CC)C1=CC(=O)CC1 87174568 573810559 /nfs/dbraw/zinc/81/05/59/573810559.db2.gz SWQPYGSNDKNXSS-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C#CC1(c2cccc(F)c2)CCC1 238529550 573810572 /nfs/dbraw/zinc/81/05/72/573810572.db2.gz VPMVJTSKKCSYTO-UHFFFAOYSA-N 0 0 174.218 2.881 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)CC(C)(C)C 259622102 573810597 /nfs/dbraw/zinc/81/05/97/573810597.db2.gz NODNVIPGMBJENJ-SCZZXKLOSA-N 0 0 151.253 2.972 10 30 AFEERN C=C[C@@H]1C(=O)CCC[C@H]1C(=C)C 238123078 573810610 /nfs/dbraw/zinc/81/06/10/573810610.db2.gz IQAUJYSDSZTBNO-UWVGGRQHSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@H]1C(=O)CCC[C@H]1C(=C)C 238123046 573810634 /nfs/dbraw/zinc/81/06/34/573810634.db2.gz IQAUJYSDSZTBNO-ZJUUUORDSA-N 0 0 164.248 2.734 10 30 AFEERN C=C(C)C(=O)[C@H](OCC)C(C)(C)C 132260487 573810654 /nfs/dbraw/zinc/81/06/54/573810654.db2.gz RWQUAVWPMGQNPI-JTQLQIEISA-N 0 0 184.279 2.583 10 30 AFEERN C=Cc1ccccc1[C@H]1C[C@H]1C=O 238133140 573813765 /nfs/dbraw/zinc/81/37/65/573813765.db2.gz ZXYVNDWLCHVXPS-JQWIXIFHSA-N 0 0 172.227 2.632 10 30 AFEERN Cc1cc(CC#N)c2occc2c1 238522469 573813768 /nfs/dbraw/zinc/81/37/68/573813768.db2.gz MPLZSOREESMBIE-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN CC(C)=CC#C[C@@H](O)c1cccs1 238133137 573814499 /nfs/dbraw/zinc/81/44/99/573814499.db2.gz NAFZZWGTYPUNIZ-SNVBAGLBSA-N 0 0 192.283 2.751 10 30 AFEERN CC(C)=CC#C[C@H](O)c1cccs1 238133231 573813796 /nfs/dbraw/zinc/81/37/96/573813796.db2.gz NAFZZWGTYPUNIZ-JTQLQIEISA-N 0 0 192.283 2.751 10 30 AFEERN C=C(C)[C@@H]1COc2ccc(C)cc2N1 238131948 573813822 /nfs/dbraw/zinc/81/38/22/573813822.db2.gz PDFURPMOUGBVDU-NSHDSACASA-N 0 0 189.258 2.744 10 30 AFEERN C=CC[C@@H](C)[C@H](CO)C(C)(C)C 715012139 573813877 /nfs/dbraw/zinc/81/38/77/573813877.db2.gz XOVBPNXXPSQYDG-ZJUUUORDSA-N 0 0 170.296 2.853 10 30 AFEERN C#Cc1cccc2ccnc(Cl)c12 238522629 573813880 /nfs/dbraw/zinc/81/38/80/573813880.db2.gz HBHJPZRFHQLTFF-UHFFFAOYSA-N 0 0 187.629 2.870 10 30 AFEERN COc1ccc([C@H]2C[C@@H]2C#N)cc1C 259199397 573813885 /nfs/dbraw/zinc/81/38/85/573813885.db2.gz QBVBKSIKWJMGST-GHMZBOCLSA-N 0 0 187.242 2.631 10 30 AFEERN Cc1cc([C@@H](C)CC=O)c(F)cc1O 258140994 573813935 /nfs/dbraw/zinc/81/39/35/573813935.db2.gz SOGIJGHXBGKMIN-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN COc1ccc([C@H]2C[C@H]2C#N)cc1C 259199401 573813952 /nfs/dbraw/zinc/81/39/52/573813952.db2.gz QBVBKSIKWJMGST-WDEREUQCSA-N 0 0 187.242 2.631 10 30 AFEERN Cc1nc(CC(C)(C)C#N)cs1 84278003 573813979 /nfs/dbraw/zinc/81/39/79/573813979.db2.gz PJQWXURQRJSOPP-UHFFFAOYSA-N 0 0 180.276 2.544 10 30 AFEERN N#Cc1ccc(SC2CC2)c(F)c1 258140834 573813984 /nfs/dbraw/zinc/81/39/84/573813984.db2.gz SJKOQWGNCQSWLK-UHFFFAOYSA-N 0 0 193.246 2.952 10 30 AFEERN C=Cc1ccccc1C1(C#N)CC1 238132072 573813995 /nfs/dbraw/zinc/81/39/95/573813995.db2.gz ZGYMKTDKYXMGRE-UHFFFAOYSA-N 0 0 169.227 2.885 10 30 AFEERN C=CC[C@H](C)[C@@H](O)[C@@H]1[C@H]2CCC[C@H]21 715012148 573814005 /nfs/dbraw/zinc/81/40/05/573814005.db2.gz XOYQNRUQZHOTSR-PREPNJAASA-N 0 0 180.291 2.606 10 30 AFEERN Cn1cc(Cl)c2c(C#N)cccc21 258145385 573814011 /nfs/dbraw/zinc/81/40/11/573814011.db2.gz SWOMHQJTOIODFT-UHFFFAOYSA-N 0 0 190.633 2.703 10 30 AFEERN C#C[C@](C)(C(=C)C)[C@@H]1CCCC1=O 238132729 573814070 /nfs/dbraw/zinc/81/40/70/573814070.db2.gz VXKGNBATPBSSAK-ZYHUDNBSSA-N 0 0 176.259 2.571 10 30 AFEERN C=CC[C@H](C)[C@@H](CO)C(C)(C)C 715012138 573814149 /nfs/dbraw/zinc/81/41/49/573814149.db2.gz XOVBPNXXPSQYDG-VHSXEESVSA-N 0 0 170.296 2.853 10 30 AFEERN CC(C)CC1=CC(C)(C)CC1=O 238131800 573814175 /nfs/dbraw/zinc/81/41/75/573814175.db2.gz MWOABZRBFCVJBD-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@](C)(C#N)Cc1csc(C)n1 84278019 573814273 /nfs/dbraw/zinc/81/42/73/573814273.db2.gz YICFWLPNWOBFOD-JTQLQIEISA-N 0 0 194.303 2.934 10 30 AFEERN CC(C)=CC#CC1=CC(=O)CCC1 238133047 573814433 /nfs/dbraw/zinc/81/44/33/573814433.db2.gz HVYZHERQARBQDO-UHFFFAOYSA-N 0 0 174.243 2.635 10 30 AFEERN CCC(CC)[C@H](C#N)N[C@H](C)CC 41049771 573814461 /nfs/dbraw/zinc/81/44/61/573814461.db2.gz DFIXJHWMMRVCEY-KOLCDFICSA-N 0 0 182.311 2.703 10 30 AFEERN C=C[C@H](C)C[C@H](O)C1CCCC1 127363103 573814477 /nfs/dbraw/zinc/81/44/77/573814477.db2.gz IIKAMTZNZCCECX-ONGXEEELSA-N 0 0 168.280 2.750 10 30 AFEERN CC[C@H]1CCC[C@H](C=O)CC1 84324996 573823865 /nfs/dbraw/zinc/82/38/65/573823865.db2.gz CZDMZUHUJDXAHU-UWVGGRQHSA-N 0 0 154.253 2.792 10 30 AFEERN CC1C(=O)Sc2ccc(C#N)cc21 306933389 573823324 /nfs/dbraw/zinc/82/33/24/573823324.db2.gz FURXXIVQMXEBQF-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=C[C@]12CCCC[C@H]1CC(=O)C2 238129826 573823325 /nfs/dbraw/zinc/82/33/25/573823325.db2.gz RWMMUCWMURQGMI-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@]12CCCC[C@H]1C=CC(=O)C2 238129803 573823341 /nfs/dbraw/zinc/82/33/41/573823341.db2.gz PQBMGMKAAWOUJM-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@]12CCCC[C@@H]1CC(=O)C2 238129648 573823367 /nfs/dbraw/zinc/82/33/67/573823367.db2.gz RWMMUCWMURQGMI-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cc2cc(CS)ccc2n1C 259203021 573823412 /nfs/dbraw/zinc/82/34/12/573823412.db2.gz NFSVTWZOUNSALO-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN CC[C@@]1(c2cccc(F)c2)C[C@@H]1C=O 257884552 573823446 /nfs/dbraw/zinc/82/34/46/573823446.db2.gz VZLKRVHGOOIQSO-PWSUYJOCSA-N 0 0 192.233 2.692 10 30 AFEERN C=C1CCC[C@@H]1CC(C)(C)C=O 238129399 573823456 /nfs/dbraw/zinc/82/34/56/573823456.db2.gz PQPSTUXGDLWOES-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CCC/C=C1\C=CC(=O)CC1 198596989 573823609 /nfs/dbraw/zinc/82/36/09/573823609.db2.gz YRAWDLUHQDRZLW-RUDMXATFSA-N 0 0 150.221 2.632 10 30 AFEERN CC(C)(C)[C@@H](C=O)[Si](C)(C)C 238130660 573823616 /nfs/dbraw/zinc/82/36/16/573823616.db2.gz OOGCOGICKDIITA-MRVPVSSYSA-N 0 0 172.344 2.940 10 30 AFEERN CC(C)=CC1=CC(=O)C(C)(C)C1 238139929 573823666 /nfs/dbraw/zinc/82/36/66/573823666.db2.gz OTRCRMKZHYHTDW-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN CC1=Cc2ccc(C)cc2C1=O 238524919 573826085 /nfs/dbraw/zinc/82/60/85/573826085.db2.gz FVGRDIRXSQMNKN-UHFFFAOYSA-N 0 0 158.200 2.595 10 30 AFEERN C=C[C@]12CCC[C@@H]1CCC(=O)C2 238129972 573826120 /nfs/dbraw/zinc/82/61/20/573826120.db2.gz MNIAVQSUQGFXFI-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1nc(N=[N+]=[N-])c2ccccc2n1 238524653 573826136 /nfs/dbraw/zinc/82/61/36/573826136.db2.gz GGZHROXITGUSNM-UHFFFAOYSA-N 0 0 185.190 2.880 10 30 AFEERN Cc1cc(-c2ccsc2C#N)no1 259622776 573826156 /nfs/dbraw/zinc/82/61/56/573826156.db2.gz HKXGTODIBDBGHM-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C#CCCCCCOC(=O)CCC 308444712 573826308 /nfs/dbraw/zinc/82/63/08/573826308.db2.gz AUSOQOBXSDJBES-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN C=CCC(C)(C)[C@@H](O)C(=C)C 238139854 573826347 /nfs/dbraw/zinc/82/63/47/573826347.db2.gz CCWNHUPSVYOYBZ-VIFPVBQESA-N 0 0 154.253 2.526 10 30 AFEERN CC1(C)CCC[C@@H](C=O)CC1 84325020 573826394 /nfs/dbraw/zinc/82/63/94/573826394.db2.gz FSLYWUJAXIXCAF-SECBINFHSA-N 0 0 154.253 2.792 10 30 AFEERN C=C(C)[C@@H]1C[C@H]1C(=O)C(C)(C)C 238129372 573826418 /nfs/dbraw/zinc/82/64/18/573826418.db2.gz IEMQHTRDUVAQJC-DTWKUNHWSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@@H]1CCC[C@@H](C=O)CC1 84324998 573826536 /nfs/dbraw/zinc/82/65/36/573826536.db2.gz CZDMZUHUJDXAHU-NXEZZACHSA-N 0 0 154.253 2.792 10 30 AFEERN CCCC[C@@H](C#N)NC1CCCCC1 41053320 573826539 /nfs/dbraw/zinc/82/65/39/573826539.db2.gz YNSAMUCLBGRAIB-LBPRGKRZSA-N 0 0 194.322 2.991 10 30 AFEERN CC(C)C=C1C(=O)CCCC1=O 238139692 573826647 /nfs/dbraw/zinc/82/66/47/573826647.db2.gz IELOORMYYSGMPB-UHFFFAOYSA-N 0 0 166.220 2.518 10 30 AFEERN C=C[C@]12CC=CC[C@@H]1CCC(=O)C2 238129398 573826653 /nfs/dbraw/zinc/82/66/53/573826653.db2.gz NBWHIDZABOGZPD-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CCCCCC[C@H](C)N[C@@H](C)C#N 43515448 573826695 /nfs/dbraw/zinc/82/66/95/573826695.db2.gz UQMXPTAKLGDKAE-QWRGUYRKSA-N 0 0 182.311 2.847 10 30 AFEERN C=C[C@]12CC=CC[C@H]1CCC(=O)C2 238129429 573826771 /nfs/dbraw/zinc/82/67/71/573826771.db2.gz NBWHIDZABOGZPD-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN CC[C@]1(c2cccc(F)c2)C[C@H]1C=O 257884548 573826798 /nfs/dbraw/zinc/82/67/98/573826798.db2.gz VZLKRVHGOOIQSO-CMPLNLGQSA-N 0 0 192.233 2.692 10 30 AFEERN CC(C)=C1C[C@]2(CC2(C)C)C1=O 238129266 573826840 /nfs/dbraw/zinc/82/68/40/573826840.db2.gz ITKGFUOYWJITNA-NSHDSACASA-N 0 0 164.248 2.712 10 30 AFEERN CC1(C)CCC[C@H](C=O)CC1 84325017 573826849 /nfs/dbraw/zinc/82/68/49/573826849.db2.gz FSLYWUJAXIXCAF-VIFPVBQESA-N 0 0 154.253 2.792 10 30 AFEERN C=C(C)[C@H]1CCC[C@@H]1C(C)=O 238146193 573830336 /nfs/dbraw/zinc/83/03/36/573830336.db2.gz VMQWZLZCHDKQPP-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@@H](C#N)Cc1ccccc1 84329541 573830430 /nfs/dbraw/zinc/83/04/30/573830430.db2.gz VSDRTHPRMPEAQI-SNVBAGLBSA-N 0 0 159.232 2.779 10 30 AFEERN CCC1CCC(CN[C@H](C)C#N)CC1 43515079 573830456 /nfs/dbraw/zinc/83/04/56/573830456.db2.gz NCHUBOIYAXOZHX-VOMCLLRMSA-N 0 0 194.322 2.704 10 30 AFEERN C=CC[C@]1(F)CCCCCC1=O 238531739 573830544 /nfs/dbraw/zinc/83/05/44/573830544.db2.gz WLNKZQOTRRPPBQ-JTQLQIEISA-N 0 0 170.227 2.804 10 30 AFEERN C=C[C@@H](CC=C(C)C)C(C)=O 238156567 573830592 /nfs/dbraw/zinc/83/05/92/573830592.db2.gz PCRXEVJYWJUKNT-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN C[C@@]1(c2cccc(Cl)c2)C[C@H]1C=O 257885252 573830595 /nfs/dbraw/zinc/83/05/95/573830595.db2.gz WCJJZDMAYOSFKO-ONGXEEELSA-N 0 0 194.661 2.817 10 30 AFEERN CCC1CCC(CN[C@@H](C)C#N)CC1 43515078 573830623 /nfs/dbraw/zinc/83/06/23/573830623.db2.gz NCHUBOIYAXOZHX-UNXYVOJBSA-N 0 0 194.322 2.704 10 30 AFEERN Cc1cc(F)c([C@]2(C)CO2)cc1F 87220580 573830656 /nfs/dbraw/zinc/83/06/56/573830656.db2.gz DLFDRURIKJBYCT-JTQLQIEISA-N 0 0 184.185 2.519 10 30 AFEERN CC(C)=CCC[C@@H](C)CC#CCO 393592843 573830861 /nfs/dbraw/zinc/83/08/61/573830861.db2.gz YQSPZTSRCTYLMO-LBPRGKRZSA-N 0 0 180.291 2.755 10 30 AFEERN Cc1cc(F)c([C@@]2(C)CO2)cc1F 87220582 573830949 /nfs/dbraw/zinc/83/09/49/573830949.db2.gz DLFDRURIKJBYCT-SNVBAGLBSA-N 0 0 184.185 2.519 10 30 AFEERN CCSCCCC[C@H](C)C=O 131226411 573830985 /nfs/dbraw/zinc/83/09/85/573830985.db2.gz XINUBOOQPNMPJU-VIFPVBQESA-N 0 0 174.309 2.745 10 30 AFEERN CC(C)c1cccc(CCC#N)n1 259573878 573831043 /nfs/dbraw/zinc/83/10/43/573831043.db2.gz DOCXXPOOFJLOSG-UHFFFAOYSA-N 0 0 174.247 2.661 10 30 AFEERN C=C(C)[C@@H](C)[C@H](O)CC(C)C 238152479 573831083 /nfs/dbraw/zinc/83/10/83/573831083.db2.gz NMYCKFGVTMKWQG-NXEZZACHSA-N 0 0 156.269 2.606 10 30 AFEERN N#Cc1c(C(F)F)ccnc1Cl 238527336 573831130 /nfs/dbraw/zinc/83/11/30/573831130.db2.gz HZUVVCAHYYTLRY-UHFFFAOYSA-N 0 0 188.564 2.544 10 30 AFEERN CC(C)C[C@H]1CCC=CC1=O 238147969 573831181 /nfs/dbraw/zinc/83/11/81/573831181.db2.gz LLYMJQLYQRVMCB-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@H]1COc2ccc(C)cc2N1 238151820 573831218 /nfs/dbraw/zinc/83/12/18/573831218.db2.gz PDFURPMOUGBVDU-LLVKDONJSA-N 0 0 189.258 2.744 10 30 AFEERN N#CCCC(=O)C1CCCCCC1 84328408 573831239 /nfs/dbraw/zinc/83/12/39/573831239.db2.gz QPYJLGNFENJAPQ-UHFFFAOYSA-N 0 0 179.263 2.830 10 30 AFEERN CC(C)C[C@H](C)CC#N 84327152 573831289 /nfs/dbraw/zinc/83/12/89/573831289.db2.gz PLOIXTARDKUIKQ-MRVPVSSYSA-N 0 0 125.215 2.582 10 30 AFEERN CC[C@H](C)C[C@@H](C#N)OC(C)C 394407555 573831383 /nfs/dbraw/zinc/83/13/83/573831383.db2.gz GUSVFFNYVJDXEO-UWVGGRQHSA-N 0 0 169.268 2.740 10 30 AFEERN CC1=C(C)[C@@H](CC(C)C)CC1=O 238146938 573831398 /nfs/dbraw/zinc/83/13/98/573831398.db2.gz XUZRJOSHAXELMR-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccc([C@@H]2O[C@H]2C)cc1C 223577913 573831496 /nfs/dbraw/zinc/83/14/96/573831496.db2.gz OKTPFRBCBQWXBF-GXSJLCMTSA-N 0 0 162.232 2.763 10 30 AFEERN C[C@@H](C#N)OC[C@@H]1CC=CC[C@@H]1C 43522676 573831650 /nfs/dbraw/zinc/83/16/50/573831650.db2.gz CAKAWGOKTOXTIV-DCAQKATOSA-N 0 0 179.263 2.517 10 30 AFEERN C[C@]1(c2cccc(Cl)c2)C[C@H]1C=O 257885246 573831675 /nfs/dbraw/zinc/83/16/75/573831675.db2.gz WCJJZDMAYOSFKO-GXSJLCMTSA-N 0 0 194.661 2.817 10 30 AFEERN C=C(C)[C@H]1CCC[C@H](O)CC1 238146293 573831687 /nfs/dbraw/zinc/83/16/87/573831687.db2.gz HKQUOEKCZIDRKQ-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN CC[C@@H](N[C@H](C)C#N)c1cccs1 43515519 573831741 /nfs/dbraw/zinc/83/17/41/573831741.db2.gz SIZSEJURXGGMHX-RKDXNWHRSA-N 0 0 194.303 2.701 10 30 AFEERN CC(=O)C1=C[C@@H](CC(C)C)CC1 238147710 573831745 /nfs/dbraw/zinc/83/17/45/573831745.db2.gz GLCVOAUEBOGJMI-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H]1C[C@]1(C=O)c1ccc(C)cc1 238527099 573831815 /nfs/dbraw/zinc/83/18/15/573831815.db2.gz JHSRQHSQEDMNEX-DGCLKSJQSA-N 0 0 186.254 2.638 10 30 AFEERN CC1=CCC[C@H](CC(C)C)C1=O 238147933 573831950 /nfs/dbraw/zinc/83/19/50/573831950.db2.gz GGPMXCVPEGKTGR-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H](C#N)N[C@@H](C)c1ccc(C)o1 43540739 573832004 /nfs/dbraw/zinc/83/20/04/573832004.db2.gz QXEXPABETGBUJZ-UWVGGRQHSA-N 0 0 192.262 2.541 10 30 AFEERN Cc1cc(F)cc(C(C)(C)C#N)c1O 238527014 573832078 /nfs/dbraw/zinc/83/20/78/573832078.db2.gz VJMMXIOELZZJBB-UHFFFAOYSA-N 0 0 193.221 2.641 10 30 AFEERN C=C(C)[C@H]1CNc2ccccc21 238148869 573832084 /nfs/dbraw/zinc/83/20/84/573832084.db2.gz JCSBOYGSZNEVOK-SNVBAGLBSA-N 0 0 159.232 2.772 10 30 AFEERN Cc1ccc(O)c(C2(C#N)CCC2)c1 238527539 573832085 /nfs/dbraw/zinc/83/20/85/573832085.db2.gz DXHJFBIUXYIHCZ-UHFFFAOYSA-N 0 0 187.242 2.646 10 30 AFEERN C=C(C)[C@H]1CCC[C@@H](O)CC1 238146176 573832242 /nfs/dbraw/zinc/83/22/42/573832242.db2.gz HKQUOEKCZIDRKQ-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN Cc1ccc2scc(CC=O)c2c1 258144537 573832347 /nfs/dbraw/zinc/83/23/47/573832347.db2.gz LATVFMBMPFBASR-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN Oc1ccccc1C1(CS)CCC1 258141880 573832426 /nfs/dbraw/zinc/83/24/26/573832426.db2.gz RBYWOFXJFYFEDX-UHFFFAOYSA-N 0 0 194.299 2.744 10 30 AFEERN CC[C@H](C#N)N[C@H](C)c1ccc(C)o1 43540742 573832452 /nfs/dbraw/zinc/83/24/52/573832452.db2.gz QXEXPABETGBUJZ-NXEZZACHSA-N 0 0 192.262 2.541 10 30 AFEERN CC[C@@H](N[C@@H](C)C#N)c1cccs1 43515517 573832476 /nfs/dbraw/zinc/83/24/76/573832476.db2.gz SIZSEJURXGGMHX-DTWKUNHWSA-N 0 0 194.303 2.701 10 30 AFEERN SCC1(c2ccco2)CCC1 84331463 573835320 /nfs/dbraw/zinc/83/53/20/573835320.db2.gz NJWJTSAIUFRULK-UHFFFAOYSA-N 0 0 168.261 2.631 10 30 AFEERN Cc1cc(F)ccc1C(C)(C)C#N 238532330 573835364 /nfs/dbraw/zinc/83/53/64/573835364.db2.gz BBYQUVSUVXCRJY-UHFFFAOYSA-N 0 0 177.222 2.935 10 30 AFEERN CC1CCC(C(=O)C[C@@H](C)C#N)CC1 84331083 573835371 /nfs/dbraw/zinc/83/53/71/573835371.db2.gz SBVNCJGCDCMDRG-HSOILSAZSA-N 0 0 193.290 2.932 10 30 AFEERN O=C1C=CO[C@H](C2CCCCCC2)C1 84330562 573835440 /nfs/dbraw/zinc/83/54/40/573835440.db2.gz ABCAYOICCMEMHY-LBPRGKRZSA-N 0 0 194.274 2.829 10 30 AFEERN C=C[C@@H]1CC[C@H]2C=CC(=O)[C@@]2(C)C1 238531834 573835470 /nfs/dbraw/zinc/83/54/70/573835470.db2.gz ZBIDKYCUSMQSCB-SCVCMEIPSA-N 0 0 176.259 2.734 10 30 AFEERN CC[C@H](C)[C@H]1CC[C@@H]([NH2+]CCC#N)C1 308762486 573835498 /nfs/dbraw/zinc/83/54/98/573835498.db2.gz YQLQZWCQAVRJSN-SDDRHHMPSA-N 0 0 194.322 2.704 10 30 AFEERN C/C=C\COC[C@@H](CS)CCC 211645013 573835574 /nfs/dbraw/zinc/83/55/74/573835574.db2.gz MEIKNFNYOGEWRS-ATPLWMGHSA-N 0 0 188.336 2.925 10 30 AFEERN CCCC1CCC(N[C@H](C)C#N)CC1 43515525 573835575 /nfs/dbraw/zinc/83/55/75/573835575.db2.gz CSLAQWNOVVIRBB-VOMCLLRMSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)[C@@]1(C#N)CC1(C)C 259010413 573835699 /nfs/dbraw/zinc/83/56/99/573835699.db2.gz OAQQARNHRLIADR-VIFPVBQESA-N 0 0 137.226 2.582 10 30 AFEERN Cc1cc(C)c(C#N)c(C(F)F)n1 238533400 573835701 /nfs/dbraw/zinc/83/57/01/573835701.db2.gz HGTPZNQPTLJRAM-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 715024956 573835853 /nfs/dbraw/zinc/83/58/53/573835853.db2.gz VZHRVTLTJDYQFC-LDMBFOFVSA-N 0 0 180.291 2.606 10 30 AFEERN Cc1ccc([C@H]2O[C@H]2C)c(C)c1 223577543 573835914 /nfs/dbraw/zinc/83/59/14/573835914.db2.gz BSOPGTOXRWXVDL-ONGXEEELSA-N 0 0 162.232 2.763 10 30 AFEERN C=C(c1ccccc1)C(C)(C)C=O 238155476 573835927 /nfs/dbraw/zinc/83/59/27/573835927.db2.gz BFGCJZDWDIFLNE-UHFFFAOYSA-N 0 0 174.243 2.925 10 30 AFEERN CC(C)Cc1cccc(C#N)c1 145812381 573835930 /nfs/dbraw/zinc/83/59/30/573835930.db2.gz PLNWXXCXNUVHTE-UHFFFAOYSA-N 0 0 159.232 2.757 10 30 AFEERN COc1c(C)cccc1[C@H](C)C#N 84332920 573835964 /nfs/dbraw/zinc/83/59/64/573835964.db2.gz KECJADVMJLLFTK-SECBINFHSA-N 0 0 175.231 2.631 10 30 AFEERN N#CC[C@@H]1CSc2ccccc21 84332969 573837398 /nfs/dbraw/zinc/83/73/98/573837398.db2.gz WQZSZOBIVVYBLJ-MRVPVSSYSA-N 0 0 175.256 2.790 10 30 AFEERN CC(C)C[C@@H]1CCC=CC1=O 238156072 573837426 /nfs/dbraw/zinc/83/74/26/573837426.db2.gz LLYMJQLYQRVMCB-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)/C=C(/CO)c1ccccc1 238155455 573837495 /nfs/dbraw/zinc/83/74/95/573837495.db2.gz HGIZSSUHFQENRO-WQLSENKSSA-N 0 0 174.243 2.638 10 30 AFEERN C=C(C)[C@]1(C)OCc2cc(O)ccc21 238155112 573837501 /nfs/dbraw/zinc/83/75/01/573837501.db2.gz VFQBGZNHGZGSIX-LBPRGKRZSA-N 0 0 190.242 2.714 10 30 AFEERN CC1=C(C)[C@H](CC(C)C)CC1=O 238155280 573837545 /nfs/dbraw/zinc/83/75/45/573837545.db2.gz XUZRJOSHAXELMR-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN N#CC[C@H]1CSc2ccccc21 84332971 573837726 /nfs/dbraw/zinc/83/77/26/573837726.db2.gz WQZSZOBIVVYBLJ-QMMMGPOBSA-N 0 0 175.256 2.790 10 30 AFEERN CC(C)[C@H](C#N)C1(C(C)(C)C)COC1 259208293 573837734 /nfs/dbraw/zinc/83/77/34/573837734.db2.gz LGSRGGYDPKZUGE-JTQLQIEISA-N 0 0 195.306 2.845 10 30 AFEERN CC(C)[NH2+][C@@](C)(C#CCl)C(C)C 238149537 573837917 /nfs/dbraw/zinc/83/79/17/573837917.db2.gz HKLZMNHRLASLDI-JTQLQIEISA-N 0 0 187.714 2.599 10 30 AFEERN C[C@]1(C(=O)C2=CCCCC2)CCCO1 87229790 573837977 /nfs/dbraw/zinc/83/79/77/573837977.db2.gz BEWOEMFKWXNLQS-GFCCVEGCSA-N 0 0 194.274 2.625 10 30 AFEERN CC[C@@H](C#N)N[C@@H](C)c1ccccc1 43539064 573838017 /nfs/dbraw/zinc/83/80/17/573838017.db2.gz ODSQMPVXMVPTMT-JQWIXIFHSA-N 0 0 188.274 2.639 10 30 AFEERN CC[C@H](C#N)N[C@H](C)c1ccccc1 43539067 573838076 /nfs/dbraw/zinc/83/80/76/573838076.db2.gz ODSQMPVXMVPTMT-ZYHUDNBSSA-N 0 0 188.274 2.639 10 30 AFEERN C[C@H](F)c1cc(F)c(F)c(C#N)c1 258150520 573842443 /nfs/dbraw/zinc/84/24/43/573842443.db2.gz TZPQRYXLCXLBCN-YFKPBYRVSA-N 0 0 185.148 2.867 10 30 AFEERN C(=C/c1ccccc1)\CC[C@@H]1CO1 78684282 573842490 /nfs/dbraw/zinc/84/24/90/573842490.db2.gz FHMWBWRXTUBROP-WNPFHQFXSA-N 0 0 174.243 2.879 10 30 AFEERN Cc1ccc2nc(F)cc(C#N)c2c1 238535510 573841706 /nfs/dbraw/zinc/84/17/06/573841706.db2.gz FGRMKLBDNDFJOZ-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN Cc1cc(C#N)c2nc(C)sc2c1 238534751 573841833 /nfs/dbraw/zinc/84/18/33/573841833.db2.gz QFPKWOQCUKXARK-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN C=C=CCCC#C[C@H](O)c1ccccc1 238717398 573841847 /nfs/dbraw/zinc/84/18/47/573841847.db2.gz BQLSFPLBAKADPK-AWEZNQCLSA-N 0 0 198.265 2.845 10 30 AFEERN Cc1cc(C)c(C(F)F)nc1CC#N 238535457 573841869 /nfs/dbraw/zinc/84/18/69/573841869.db2.gz XOXZVJCBECDRHM-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CC[C@@H](C#N)NCCC1CCCCC1 43540382 573841873 /nfs/dbraw/zinc/84/18/73/573841873.db2.gz LECCJZIKOOFDMU-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN C#CCC(C)(C)Nc1ccccc1 238158414 573841948 /nfs/dbraw/zinc/84/19/48/573841948.db2.gz CUBVLYIEKFPOGP-UHFFFAOYSA-N 0 0 173.259 2.900 10 30 AFEERN Cc1nc(C2CCC2)c(C#N)s1 259208271 573842013 /nfs/dbraw/zinc/84/20/13/573842013.db2.gz LGOQXKNMWRNZFV-UHFFFAOYSA-N 0 0 178.260 2.591 10 30 AFEERN CC(C)c1ccc(O)c(CS)c1 238158070 573842028 /nfs/dbraw/zinc/84/20/28/573842028.db2.gz MYNUSYFZAMPKKC-UHFFFAOYSA-N 0 0 182.288 2.945 10 30 AFEERN N#Cc1cc(Cl)cc2sncc12 238533853 573842056 /nfs/dbraw/zinc/84/20/56/573842056.db2.gz DVQVZCGRHZOSCP-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN C[C@@H](CC#N)C(=O)[C@H]1CCC[C@@H](C)C1 84341501 573842134 /nfs/dbraw/zinc/84/21/34/573842134.db2.gz HAZGHCOVTZNGRB-VWYCJHECSA-N 0 0 193.290 2.932 10 30 AFEERN CC[C@H](C#N)N[C@@H](C)c1ccccc1 43539065 573842171 /nfs/dbraw/zinc/84/21/71/573842171.db2.gz ODSQMPVXMVPTMT-CMPLNLGQSA-N 0 0 188.274 2.639 10 30 AFEERN CC(C)c1nc(CC#N)c2ccccn12 214981531 573842219 /nfs/dbraw/zinc/84/22/19/573842219.db2.gz LULMIDVFFQSZPO-UHFFFAOYSA-N 0 0 199.257 2.524 10 30 AFEERN C=C(C[C@@H](O)c1ccccc1C)OC 308453141 573847120 /nfs/dbraw/zinc/84/71/20/573847120.db2.gz UCSPJGKOQPOIOV-GFCCVEGCSA-N 0 0 192.258 2.579 10 30 AFEERN C=C1[C@@H](O)[C@@H](C)CC[C@@H]1C(C)C 238159378 573847212 /nfs/dbraw/zinc/84/72/12/573847212.db2.gz QDTGOPZWTMISEP-GDPRMGEGSA-N 0 0 168.280 2.606 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)O[C@H](C)CC 308452429 573846427 /nfs/dbraw/zinc/84/64/27/573846427.db2.gz DYEWGSBGPJLCLL-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN CC[C@@H](C#N)N(C)[C@@H](C)CC(C)C 43556757 573846624 /nfs/dbraw/zinc/84/66/24/573846624.db2.gz FOFZJLCPHWIFRP-QWRGUYRKSA-N 0 0 182.311 2.655 10 30 AFEERN [N-]=[N+]=Nc1ccnn1-c1ccccc1 238536716 573846677 /nfs/dbraw/zinc/84/66/77/573846677.db2.gz PPBXDZQKCZNOAQ-UHFFFAOYSA-N 0 0 185.190 2.814 10 30 AFEERN CC(C)N[C@]1(C#N)CC12CCCCC2 238160374 573846816 /nfs/dbraw/zinc/84/68/16/573846816.db2.gz PYNXKXCDXUKJBU-LBPRGKRZSA-N 0 0 192.306 2.601 10 30 AFEERN C=C(C)c1noc(C)c1Cl 238160481 573846914 /nfs/dbraw/zinc/84/69/14/573846914.db2.gz HDEDVAQRFWLCDZ-UHFFFAOYSA-N 0 0 157.600 2.670 10 30 AFEERN CC[C@H](C#N)N(C)CC1CCCCC1 43556599 573847914 /nfs/dbraw/zinc/84/79/14/573847914.db2.gz YMNMGFPHHPWJRC-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@H](C#N)N(C)[C@@H]1CCCC[C@@H]1C 43556782 573847277 /nfs/dbraw/zinc/84/72/77/573847277.db2.gz ORGPMQZAJJPVTF-SDDRHHMPSA-N 0 0 194.322 2.799 10 30 AFEERN CC/C=C\C(=O)c1ccnn1C(C)C 308452388 573847307 /nfs/dbraw/zinc/84/73/07/573847307.db2.gz HBVIMIHDRAPXIM-WAYWQWQTSA-N 0 0 192.262 2.613 10 30 AFEERN CCc1ccccc1O[C@@H](C#N)CC 43557298 573847357 /nfs/dbraw/zinc/84/73/57/573847357.db2.gz CBPINEVTGBRMPH-LLVKDONJSA-N 0 0 189.258 2.930 10 30 AFEERN Cc1ccc(N(C)CS)c(C)c1C 258970502 573847482 /nfs/dbraw/zinc/84/74/82/573847482.db2.gz VBNKFFNJBYCGAX-UHFFFAOYSA-N 0 0 195.331 2.935 10 30 AFEERN Cc1ccc(C(C)C)cc1NCC=O 258971547 573847534 /nfs/dbraw/zinc/84/75/34/573847534.db2.gz WZZJANNDBRABCZ-UHFFFAOYSA-N 0 0 191.274 2.729 10 30 AFEERN CC[C@H](C#N)OCCc1cccs1 43557438 573847553 /nfs/dbraw/zinc/84/75/53/573847553.db2.gz UENQEJNKFSDBHS-SECBINFHSA-N 0 0 195.287 2.609 10 30 AFEERN CCc1ccc(O[C@H](C#N)CC)cc1 43556981 573847680 /nfs/dbraw/zinc/84/76/80/573847680.db2.gz AODYQZLVFMNIOS-NSHDSACASA-N 0 0 189.258 2.930 10 30 AFEERN CC(C)(C)[C@@H]1C=CCC[C@@H]1C=O 238150252 573847739 /nfs/dbraw/zinc/84/77/39/573847739.db2.gz YIADKJIDXKZBKB-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@@H](C#N)n1c(C)nc2ccccc21 43556853 573847780 /nfs/dbraw/zinc/84/77/80/573847780.db2.gz OLUAJAPPTSWHIT-JTQLQIEISA-N 0 0 199.257 2.819 10 30 AFEERN COc1cccc(F)c1[C@H](C)CC=O 258158005 573858796 /nfs/dbraw/zinc/85/87/96/573858796.db2.gz UUJJWODYWKERPM-MRVPVSSYSA-N 0 0 196.221 2.527 10 30 AFEERN Cc1cc([C@H]2C[C@H]2C#N)ccc1F 259211043 573858800 /nfs/dbraw/zinc/85/88/00/573858800.db2.gz QXSGHGPHWNVXRV-VHSXEESVSA-N 0 0 175.206 2.761 10 30 AFEERN C[C@H](C#N)NCC(C)(C)C1=CCCC1 308769254 573858801 /nfs/dbraw/zinc/85/88/01/573858801.db2.gz XUDQXVVRBOVBLJ-SNVBAGLBSA-N 0 0 192.306 2.625 10 30 AFEERN Cc1cc(C)c(N(C)CS)c(C)c1 258974073 573862356 /nfs/dbraw/zinc/86/23/56/573862356.db2.gz VLBUCEGOJBOGBO-UHFFFAOYSA-N 0 0 195.331 2.935 10 30 AFEERN C=CC[C@@H](C)Oc1ccccc1C=O 715030969 573861715 /nfs/dbraw/zinc/86/17/15/573861715.db2.gz TVRVHUUCITVODO-SNVBAGLBSA-N 0 0 190.242 2.843 10 30 AFEERN CC[C@H](C)c1ccccc1OCC=O 43803727 573861860 /nfs/dbraw/zinc/86/18/60/573861860.db2.gz JIAUOUDUCHXVEF-JTQLQIEISA-N 0 0 192.258 2.778 10 30 AFEERN C=CC[C@H](C)[C@](O)(CC)C1CC1 715029133 573861945 /nfs/dbraw/zinc/86/19/45/573861945.db2.gz OQINQZGMHCLSCP-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(CC=O)c1ccc(C)cc1 238547093 573862007 /nfs/dbraw/zinc/86/20/07/573862007.db2.gz VTYKWNNBIMTKIE-UHFFFAOYSA-N 0 0 160.216 2.597 10 30 AFEERN C=CCC[C@H](CC)NCC(F)(F)F 308457654 573862043 /nfs/dbraw/zinc/86/20/43/573862043.db2.gz GKUZQPSKQPRGJK-QMMMGPOBSA-N 0 0 195.228 2.883 10 30 AFEERN CCc1ccc(C(=O)C2(C#N)CC2)cc1 259214711 573862259 /nfs/dbraw/zinc/86/22/59/573862259.db2.gz PMDIEXNCVUWZLD-UHFFFAOYSA-N 0 0 199.253 2.735 10 30 AFEERN N#Cc1cc2ccsc2cc1F 238547483 573862288 /nfs/dbraw/zinc/86/22/88/573862288.db2.gz SRVDKYXUCUGQFD-UHFFFAOYSA-N 0 0 177.203 2.912 10 30 AFEERN C=CC[C@H](C)[C@H](O)C(CC)CC 715031098 573864925 /nfs/dbraw/zinc/86/49/25/573864925.db2.gz YYXZFZMRLHBGJP-ONGXEEELSA-N 0 0 170.296 2.996 10 30 AFEERN CC(C)C[C@]1(C)C=CC(=O)CC1 238170606 573865055 /nfs/dbraw/zinc/86/50/55/573865055.db2.gz WLUJUDQGIPXOIW-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=C[C@H]1CC=C(C)C(=O)C1 238170154 573865062 /nfs/dbraw/zinc/86/50/62/573865062.db2.gz XIGFWFTWEJSBAF-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C=CC[C@H](C)[C@H](CO)c1ccccc1 715029258 573865081 /nfs/dbraw/zinc/86/50/81/573865081.db2.gz MODSRHUQGGRHMG-AAEUAGOBSA-N 0 0 190.286 2.975 10 30 AFEERN FC(F)(F)C#Cc1ccsc1 238548901 573865092 /nfs/dbraw/zinc/86/50/92/573865092.db2.gz KEDRHHUIFDTILR-UHFFFAOYSA-N 0 0 176.162 2.662 10 30 AFEERN N#Cc1cc(Cl)ncc1C(F)F 238548773 573865166 /nfs/dbraw/zinc/86/51/66/573865166.db2.gz JFGBUCRBOSQDDS-UHFFFAOYSA-N 0 0 188.564 2.544 10 30 AFEERN C=C[C@@H](/C=C(\C)c1ccccc1)CO 308457322 573865167 /nfs/dbraw/zinc/86/51/67/573865167.db2.gz YFADLZCSHKMRPU-ZKQHCESOSA-N 0 0 188.270 2.884 10 30 AFEERN C=CC[C@H](C)[C@]1(O)C[C@H](C)[C@@H]1C 715028941 573865195 /nfs/dbraw/zinc/86/51/95/573865195.db2.gz MLVDAUHBRHOBRB-XWLWVQCSSA-N 0 0 168.280 2.606 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1ccc2ncoc2c1 258973883 573865200 /nfs/dbraw/zinc/86/52/00/573865200.db2.gz IPDPOEIRQREIJV-JOYOIKCWSA-N 0 0 198.225 2.845 10 30 AFEERN CC(C)C[C@H]1C[C@@]1(C)C#N 258975591 573865223 /nfs/dbraw/zinc/86/52/23/573865223.db2.gz IRRVIQIZJDZAGT-IUCAKERBSA-N 0 0 137.226 2.582 10 30 AFEERN CC(C)=C[C@H]1CCCC[C@H]1C=O 238170294 573865224 /nfs/dbraw/zinc/86/52/24/573865224.db2.gz VDLPHYCURXXFJF-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H](C)[C@]1(O)C[C@@H](C)[C@H]1C 715028928 573865298 /nfs/dbraw/zinc/86/52/98/573865298.db2.gz MLVDAUHBRHOBRB-LMLFDSFASA-N 0 0 168.280 2.606 10 30 AFEERN CCCCC(=O)/C=C\[C@H](O)CCCC 308457311 573865429 /nfs/dbraw/zinc/86/54/29/573865429.db2.gz YEKXENFHUPEWDQ-DWOQACPDSA-N 0 0 198.306 2.853 10 30 AFEERN Cc1ccc(-c2occc2C#N)o1 259576512 573865553 /nfs/dbraw/zinc/86/55/53/573865553.db2.gz DUAYUDKUSLQGKN-UHFFFAOYSA-N 0 0 173.171 2.720 10 30 AFEERN C=CC[C@H]1C[C@@H](C(C)=O)C1(C)C 238170057 573865642 /nfs/dbraw/zinc/86/56/42/573865642.db2.gz OTIWWYMGHDZRLX-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@H](C)[C@@H](O)CCc1ccco1 715029150 573866544 /nfs/dbraw/zinc/86/65/44/573866544.db2.gz LOCLEKUOGVFYDF-JQWIXIFHSA-N 0 0 194.274 2.785 10 30 AFEERN N#CC[C@@H]1CCCNc2ccccc21 238548760 573865810 /nfs/dbraw/zinc/86/58/10/573865810.db2.gz NGKNMFPUGYPFOD-JTQLQIEISA-N 0 0 186.258 2.890 10 30 AFEERN CC(C)=C[C@H]1CCCC[C@@H]1C=O 238170270 573865842 /nfs/dbraw/zinc/86/58/42/573865842.db2.gz VDLPHYCURXXFJF-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H](C)[C@@H](CO)c1ccccc1 715029260 573865946 /nfs/dbraw/zinc/86/59/46/573865946.db2.gz MODSRHUQGGRHMG-WCQYABFASA-N 0 0 190.286 2.975 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1ccc2ncoc2c1 258973887 573866036 /nfs/dbraw/zinc/86/60/36/573866036.db2.gz IPDPOEIRQREIJV-SKDRFNHKSA-N 0 0 198.225 2.845 10 30 AFEERN C=CC[C@@H](C)[C@H](O)CCc1ccco1 715029154 573866106 /nfs/dbraw/zinc/86/61/06/573866106.db2.gz LOCLEKUOGVFYDF-ZYHUDNBSSA-N 0 0 194.274 2.785 10 30 AFEERN COCc1ccc(CC#N)cc1Cl 258165711 573866370 /nfs/dbraw/zinc/86/63/70/573866370.db2.gz VJWGOGPCDHMKJA-UHFFFAOYSA-N 0 0 195.649 2.552 10 30 AFEERN Cc1cc(F)c2c(c1)[C@@H](C#N)CC2 238540419 573866511 /nfs/dbraw/zinc/86/65/11/573866511.db2.gz WWMYMWQQFZNDGZ-MRVPVSSYSA-N 0 0 175.206 2.688 10 30 AFEERN C=C(C)[C@@H](CO)CC/C(C)=C\C 215001354 573866514 /nfs/dbraw/zinc/86/65/14/573866514.db2.gz KJPDSWNQIORONU-GULOHRGCSA-N 0 0 168.280 2.917 10 30 AFEERN CC[C@@H](C)c1ccccc1OCC=O 43803726 573866546 /nfs/dbraw/zinc/86/65/46/573866546.db2.gz JIAUOUDUCHXVEF-SNVBAGLBSA-N 0 0 192.258 2.778 10 30 AFEERN C=C=C(C)C(=O)c1cccs1 238162852 573866628 /nfs/dbraw/zinc/86/66/28/573866628.db2.gz VUMQKVUMJFYHCR-UHFFFAOYSA-N 0 0 164.229 2.662 10 30 AFEERN C=CC[C@H](C)Oc1ccccc1C=O 715030967 573866900 /nfs/dbraw/zinc/86/69/00/573866900.db2.gz TVRVHUUCITVODO-JTQLQIEISA-N 0 0 190.242 2.843 10 30 AFEERN C=CC[C@H](C)[C@]1(O)C[C@H](C)[C@H]1C 715028933 573866973 /nfs/dbraw/zinc/86/69/73/573866973.db2.gz MLVDAUHBRHOBRB-UKKRHICBSA-N 0 0 168.280 2.606 10 30 AFEERN C=C1CCCCC[C@H]1C(C)=O 238163150 573867016 /nfs/dbraw/zinc/86/70/16/573867016.db2.gz HSMOSUVUCKCIJI-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cc(F)c2c(c1)[C@H](C#N)CC2 238540203 573867079 /nfs/dbraw/zinc/86/70/79/573867079.db2.gz WWMYMWQQFZNDGZ-QMMMGPOBSA-N 0 0 175.206 2.688 10 30 AFEERN C#CCCCCCC(=O)OCCC 308455265 573867095 /nfs/dbraw/zinc/86/70/95/573867095.db2.gz FTCHGWUDLTZFFL-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN CC(C)=CC(=O)c1ccc(Cl)cn1 87285666 573867096 /nfs/dbraw/zinc/86/70/96/573867096.db2.gz JIQQBZRLJXEYMJ-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN Cc1nc2c(C#N)c(C)ccc2s1 238540732 573867203 /nfs/dbraw/zinc/86/72/03/573867203.db2.gz NAAGXQJKCDCMFN-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN C[C@@H](C#N)N(C)C1CCC(C)(C)CC1 87287473 573867273 /nfs/dbraw/zinc/86/72/73/573867273.db2.gz ZGGZFTGZBAZCSH-JTQLQIEISA-N 0 0 194.322 2.799 10 30 AFEERN C=CCC1=CC[C@H](C(C)=O)CC1 238162168 573867279 /nfs/dbraw/zinc/86/72/79/573867279.db2.gz AYKSVRUIHCIQSN-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C=C(CO)Sc1cccc(C)c1 238540558 573867283 /nfs/dbraw/zinc/86/72/83/573867283.db2.gz UIGWUNHANWWJPP-UHFFFAOYSA-N 0 0 180.272 2.593 10 30 AFEERN C=C1CC(=O)c2cccc(C)c21 238549087 573867302 /nfs/dbraw/zinc/86/73/02/573867302.db2.gz PVKSGRSCZUDRRG-UHFFFAOYSA-N 0 0 158.200 2.595 10 30 AFEERN Cc1ccc(C(C)(C)C#N)c(O)c1 238552343 573876375 /nfs/dbraw/zinc/87/63/75/573876375.db2.gz MDCLMHUPQRYGCS-UHFFFAOYSA-N 0 0 175.231 2.502 10 30 AFEERN CCC#CC[C@@]12CC[C@H]1CCC2=O 238176344 573876417 /nfs/dbraw/zinc/87/64/17/573876417.db2.gz HGOBPBGCNIWUJN-ZYHUDNBSSA-N 0 0 176.259 2.549 10 30 AFEERN C=CC[C@@H](C)[C@](O)(C(C)C)C1CC1 715038288 573876439 /nfs/dbraw/zinc/87/64/39/573876439.db2.gz HAVYIYNPQHUICE-ZYHUDNBSSA-N 0 0 182.307 2.996 10 30 AFEERN COc1ccc([C@H]2OC2(C)C)cc1F 259217510 573876453 /nfs/dbraw/zinc/87/64/53/573876453.db2.gz JCRHQPFRZAJEFO-SNVBAGLBSA-N 0 0 196.221 2.684 10 30 AFEERN CC(C)=C[C@@H]1C[C@@]1(C)CC=O 238164679 573875847 /nfs/dbraw/zinc/87/58/47/573875847.db2.gz JFLXKWNSJRYMHS-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)c1ccc(N(C)C)cc1 101472804 573875850 /nfs/dbraw/zinc/87/58/50/573875850.db2.gz IZSXCOWYPVVLEV-SNAWJCMRSA-N 0 0 189.258 2.511 10 30 AFEERN CC(C)C[C@@H]1[C@@H](C=O)C1(C)C 238163571 573875867 /nfs/dbraw/zinc/87/58/67/573875867.db2.gz FPTZNDPEOJSRNC-RKDXNWHRSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC[C@H](C)[C@H](O)c1ccc(C)o1 715038321 573875872 /nfs/dbraw/zinc/87/58/72/573875872.db2.gz UYGSXPQEPJMDND-KWQFWETISA-N 0 0 180.247 2.834 10 30 AFEERN C=CC[C@@H](C)[C@@](O)(C(C)C)C1CC1 715038284 573875882 /nfs/dbraw/zinc/87/58/82/573875882.db2.gz HAVYIYNPQHUICE-PWSUYJOCSA-N 0 0 182.307 2.996 10 30 AFEERN C=C1CC[C@H](C)C(C)(C)[C@H]1C=O 101630539 573875999 /nfs/dbraw/zinc/87/59/99/573875999.db2.gz JOPBORIXJGLUPN-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@H](C)[C@](O)(C(C)C)C1CC1 715038277 573876033 /nfs/dbraw/zinc/87/60/33/573876033.db2.gz HAVYIYNPQHUICE-CMPLNLGQSA-N 0 0 182.307 2.996 10 30 AFEERN N#CC[C@@H]1CCc2cccc(F)c21 238551208 573876044 /nfs/dbraw/zinc/87/60/44/573876044.db2.gz NUEWGGABCXOYFK-VIFPVBQESA-N 0 0 175.206 2.769 10 30 AFEERN Cc1ccc(C(C)(C)C#N)cc1O 238552514 573876086 /nfs/dbraw/zinc/87/60/86/573876086.db2.gz AWSNIZJWMSPUTH-UHFFFAOYSA-N 0 0 175.231 2.502 10 30 AFEERN COc1ccc(/C=C\CC#N)cc1C 308460184 573876122 /nfs/dbraw/zinc/87/61/22/573876122.db2.gz WGHVTLOMMDSPAP-HYXAFXHYSA-N 0 0 187.242 2.931 10 30 AFEERN N#CCc1sccc1C1CC1 238551619 573876289 /nfs/dbraw/zinc/87/62/89/573876289.db2.gz POIKBEUPMLCTFK-UHFFFAOYSA-N 0 0 163.245 2.692 10 30 AFEERN C=CC[C@@H](C)[C@@](C)(O)c1nccs1 715036479 573876352 /nfs/dbraw/zinc/87/63/52/573876352.db2.gz ODPPZNAHYHNLCQ-PSASIEDQSA-N 0 0 197.303 2.563 10 30 AFEERN C#Cc1cccc2cnc(Cl)cc12 238555919 573878263 /nfs/dbraw/zinc/87/82/63/573878263.db2.gz BZSYBIAUJJKCNN-UHFFFAOYSA-N 0 0 187.629 2.870 10 30 AFEERN CN(CS)c1ccc(Cl)cc1 258981939 573878296 /nfs/dbraw/zinc/87/82/96/573878296.db2.gz WLMALERBGILLRA-UHFFFAOYSA-N 0 0 187.695 2.664 10 30 AFEERN C=CC[C@@H](C)[C@](C)(O)C1(Cl)CC1 715039144 573878465 /nfs/dbraw/zinc/87/84/65/573878465.db2.gz WYLWDZNIOKDSEK-BDAKNGLRSA-N 0 0 188.698 2.721 10 30 AFEERN C=CC[C@H](C)[C@@H](O)[C@H]1CC1(C)C 715039299 573878475 /nfs/dbraw/zinc/87/84/75/573878475.db2.gz XSZQNKBPVQELEG-IVZWLZJFSA-N 0 0 168.280 2.606 10 30 AFEERN C=CC[C@@H](C)[C@@](C)(O)C1(Cl)CC1 715039154 573878535 /nfs/dbraw/zinc/87/85/35/573878535.db2.gz WYLWDZNIOKDSEK-RKDXNWHRSA-N 0 0 188.698 2.721 10 30 AFEERN C=CC[C@H](C)[C@@](C)(O)C1(Cl)CC1 715039146 573878548 /nfs/dbraw/zinc/87/85/48/573878548.db2.gz WYLWDZNIOKDSEK-DTWKUNHWSA-N 0 0 188.698 2.721 10 30 AFEERN C=CC[C@@H](C)[C@H](O)c1ccncc1C 715040114 573878601 /nfs/dbraw/zinc/87/86/01/573878601.db2.gz YMWQIHNLNJADON-SKDRFNHKSA-N 0 0 191.274 2.636 10 30 AFEERN CCC#CC[C@@]12CC[C@@H]1CCC2=O 238176321 573878605 /nfs/dbraw/zinc/87/86/05/573878605.db2.gz HGOBPBGCNIWUJN-CMPLNLGQSA-N 0 0 176.259 2.549 10 30 AFEERN C=CCc1c[nH]c2c(OC)cccc12 224722380 573878648 /nfs/dbraw/zinc/87/86/48/573878648.db2.gz OVKFLPFQMFNDPM-UHFFFAOYSA-N 0 0 187.242 2.905 10 30 AFEERN CCC#C[C@H](C)[C@H](O)C1CCCCC1 238178287 573883984 /nfs/dbraw/zinc/88/39/84/573883984.db2.gz RFZJYKSECXPUJQ-AAEUAGOBSA-N 0 0 194.318 2.977 10 30 AFEERN N#CCc1nc2cccc(F)c2s1 238555147 573884722 /nfs/dbraw/zinc/88/47/22/573884722.db2.gz PSZYGHKHZYKEMT-UHFFFAOYSA-N 0 0 192.218 2.501 10 30 AFEERN CC[C@@H](C#N)C(=O)C1(C)CCCC1 87316772 573883999 /nfs/dbraw/zinc/88/39/99/573883999.db2.gz BTTNKZGRGGDJAR-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C=C(CC=O)c1ccccc1C 258172728 573884173 /nfs/dbraw/zinc/88/41/73/573884173.db2.gz LNFXZJMXGOVPRX-UHFFFAOYSA-N 0 0 160.216 2.597 10 30 AFEERN CC#CC[NH2+][C@@H]1c2ccccc2C[C@@H]1C 131580744 573884293 /nfs/dbraw/zinc/88/42/93/573884293.db2.gz NSOJFCQMQBUGQS-FZMZJTMJSA-N 0 0 199.297 2.533 10 30 AFEERN Fc1ccc(Cl)cc1NCS 258986417 573884374 /nfs/dbraw/zinc/88/43/74/573884374.db2.gz XBXSGAAEWVOCHX-UHFFFAOYSA-N 0 0 191.658 2.778 10 30 AFEERN CC#CC[NH2+][C@H]1c2ccccc2C[C@H]1C 131581333 573884593 /nfs/dbraw/zinc/88/45/93/573884593.db2.gz NSOJFCQMQBUGQS-BXUZGUMPSA-N 0 0 199.297 2.533 10 30 AFEERN CC1(C)C[C@@]1(C#N)c1cccs1 258986726 573885935 /nfs/dbraw/zinc/88/59/35/573885935.db2.gz KMKIMDGCYGPHNT-SNVBAGLBSA-N 0 0 177.272 2.939 10 30 AFEERN C=C1C(=O)C[C@@H]2[C@H]1C=C(C)C2(C)C 238179609 573885975 /nfs/dbraw/zinc/88/59/75/573885975.db2.gz ZYEHGAUDVAUAGO-VHSXEESVSA-N 0 0 176.259 2.734 10 30 AFEERN CC(C)=Nc1cc(C)ccc1O 238179309 573886055 /nfs/dbraw/zinc/88/60/55/573886055.db2.gz QCOPHIYETIWLJZ-UHFFFAOYSA-N 0 0 163.220 2.813 10 30 AFEERN CC[C@H]1CC(=O)C=CC1(C)C 145038372 573886246 /nfs/dbraw/zinc/88/62/46/573886246.db2.gz DAWQVYNKSPUVCK-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)C[C@H](C)[C@@H](C)C=O 238179700 573886320 /nfs/dbraw/zinc/88/63/20/573886320.db2.gz JUQLIMRGTABQBV-IUCAKERBSA-N 0 0 142.242 2.504 10 30 AFEERN CC(C)C[C@H](C=O)C(C)C 145043851 573886533 /nfs/dbraw/zinc/88/65/33/573886533.db2.gz KKMKRUNCUTXQPX-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN Cc1ccc([C@H](F)C=O)cc1Cl 257894682 573890260 /nfs/dbraw/zinc/89/02/60/573890260.db2.gz NWVIUMPGWZMZOB-SECBINFHSA-N 0 0 186.613 2.858 10 30 AFEERN CC(C)[C@@H]1O[C@H](C(C)C)[C@@H](C)[C@@H]1C=O 238181052 573890314 /nfs/dbraw/zinc/89/03/14/573890314.db2.gz FJWLEYPRXNPVPZ-YFKTTZPYSA-N 0 0 198.306 2.517 10 30 AFEERN CCC(C)(C)CCC[C@H]1CO1 222498212 573890317 /nfs/dbraw/zinc/89/03/17/573890317.db2.gz DOZMUSGXEZYGJC-VIFPVBQESA-N 0 0 156.269 2.992 10 30 AFEERN Cn1ccc2cc(C(C)(C)C#N)ccc21 259222854 573890520 /nfs/dbraw/zinc/89/05/20/573890520.db2.gz OPXRRQMQXCYDTN-UHFFFAOYSA-N 0 0 198.269 2.979 10 30 AFEERN CC1=CC(=O)C[C@H](c2ccco2)C1 144989199 573891594 /nfs/dbraw/zinc/89/15/94/573891594.db2.gz FKRJBIQMRWRFAK-SECBINFHSA-N 0 0 176.215 2.672 10 30 AFEERN CC1=C[C@@]2(C)CCCC2=CC1=O 238180688 573891006 /nfs/dbraw/zinc/89/10/06/573891006.db2.gz HLTZZKXSGFWLJW-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN CC(F)(F)c1ccc(CCC=O)cc1 258173872 573891146 /nfs/dbraw/zinc/89/11/46/573891146.db2.gz WCWOAULGURAZOZ-UHFFFAOYSA-N 0 0 198.212 2.930 10 30 AFEERN Cc1ccc([C@@H](F)C=O)cc1Cl 257894683 573891230 /nfs/dbraw/zinc/89/12/30/573891230.db2.gz NWVIUMPGWZMZOB-VIFPVBQESA-N 0 0 186.613 2.858 10 30 AFEERN C=C[C@H](C)C(C)(C)C(=O)CC 238190202 573899103 /nfs/dbraw/zinc/89/91/03/573899103.db2.gz KBWIEFLOAJEOAM-QMMMGPOBSA-N 0 0 154.253 2.814 10 30 AFEERN C=CC[C@H](C)[C@@H](O)CCC1CC1 715052040 573899393 /nfs/dbraw/zinc/89/93/93/573899393.db2.gz GSKVRJTVUBJUDQ-ONGXEEELSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1cc(NCCCF)ccc1C#N 306782797 573901285 /nfs/dbraw/zinc/90/12/85/573901285.db2.gz QUDKBDIQUAENSU-UHFFFAOYSA-N 0 0 192.237 2.638 10 30 AFEERN CC[C@H]1[C@@H](C#N)C12CCCC2 259583861 573901289 /nfs/dbraw/zinc/90/12/89/573901289.db2.gz KOLKLTFFPSESTR-DTWKUNHWSA-N 0 0 149.237 2.726 10 30 AFEERN CC(=O)C=C(C)Nc1ccccc1O 102665987 573901296 /nfs/dbraw/zinc/90/12/96/573901296.db2.gz ISNPDXLSMIDYKY-NRGDDSENSA-N 0 0 191.230 2.946 10 30 AFEERN C=C(C)CC(C)(C)C(=O)CC 238189924 573901364 /nfs/dbraw/zinc/90/13/64/573901364.db2.gz YBSWIECBTVHRPT-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN CCC(=O)C(CC)=C(C)C 238190854 573901391 /nfs/dbraw/zinc/90/13/91/573901391.db2.gz PERXIZKHSUGUFL-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN CCC(C)(C)[C@H]1C=CC(=O)CC1 238189939 573901455 /nfs/dbraw/zinc/90/14/55/573901455.db2.gz UBWRALJNJAUBQO-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccccc1C(=O)C1(C#N)CCC1 259229671 573901486 /nfs/dbraw/zinc/90/14/86/573901486.db2.gz QQUWQHYGEMEREX-UHFFFAOYSA-N 0 0 199.253 2.872 10 30 AFEERN C=C(CC)C[C@H](NCC)C(F)(F)F 131569017 573902663 /nfs/dbraw/zinc/90/26/63/573902663.db2.gz LFPGNTDSLMZOHB-QMMMGPOBSA-N 0 0 195.228 2.883 10 30 AFEERN COc1ccc(C)cc1[C@H]1C[C@H]1C#N 259229910 573902711 /nfs/dbraw/zinc/90/27/11/573902711.db2.gz RZBXQMNNPYWFPE-UWVGGRQHSA-N 0 0 187.242 2.631 10 30 AFEERN COc1ccc(C)cc1[C@H]1C[C@@H]1C#N 259229917 573902728 /nfs/dbraw/zinc/90/27/28/573902728.db2.gz RZBXQMNNPYWFPE-ZJUUUORDSA-N 0 0 187.242 2.631 10 30 AFEERN C=CC[C@@H]1C[C@H](CC)[C@H]1CCCO 213029007 573902800 /nfs/dbraw/zinc/90/28/00/573902800.db2.gz JOMUBLPTASOFFO-QJPTWQEYSA-N 0 0 182.307 2.997 10 30 AFEERN C=CC[C@@H](C)Oc1ccc(N)cc1C 715056921 573902844 /nfs/dbraw/zinc/90/28/44/573902844.db2.gz CYSJSBYJWHECQK-SNVBAGLBSA-N 0 0 191.274 2.921 10 30 AFEERN CCc1c(C#N)c2ccccc2n1C 11805003 573902923 /nfs/dbraw/zinc/90/29/23/573902923.db2.gz BUGBFUFKIASEFQ-UHFFFAOYSA-N 0 0 184.242 2.612 10 30 AFEERN CC1(C)CC=C[C@@H](CC=O)C1 238191898 573902950 /nfs/dbraw/zinc/90/29/50/573902950.db2.gz ZWRDLPVBXCLSIP-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C[C@H]1CC(C)(C)C[C@H]1CO 222793886 573902976 /nfs/dbraw/zinc/90/29/76/573902976.db2.gz QDMXMZQHPIMZOA-QWRGUYRKSA-N 0 0 182.307 2.997 10 30 AFEERN C[C@](F)(C=O)c1ccc(Cl)cc1 257903878 573903058 /nfs/dbraw/zinc/90/30/58/573903058.db2.gz PJQKKXMQJSYARG-VIFPVBQESA-N 0 0 186.613 2.724 10 30 AFEERN CCN(C)N=CC1CCC(C)CC1 393569623 573903277 /nfs/dbraw/zinc/90/32/77/573903277.db2.gz RRBMLBMWEZADGH-UHFFFAOYSA-N 0 0 182.311 2.750 10 30 AFEERN C=C1CCC(C)(C)C[C@H]1CC=O 238193024 573903361 /nfs/dbraw/zinc/90/33/61/573903361.db2.gz XJUOBSIDXPLJFZ-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@@H]1C(=O)CCC1(C)C 238194854 573906966 /nfs/dbraw/zinc/90/69/66/573906966.db2.gz BIFNTBYUJJUYHP-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CCC(=O)C1=C2CCC[C@@H]2CC1 238193317 573907026 /nfs/dbraw/zinc/90/70/26/573907026.db2.gz PLRCPJIOPQWCBG-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN CCC(=O)C=C=Cc1ccccc1 238193733 573907066 /nfs/dbraw/zinc/90/70/66/573907066.db2.gz XXPHFFDPUAQINL-UHFFFAOYSA-N 0 0 172.227 2.834 10 30 AFEERN C=CC[C@@H](C)[C@H](O)C1(CC)CC1 715056490 573907344 /nfs/dbraw/zinc/90/73/44/573907344.db2.gz CKTJDKOPHZPLBZ-ZJUUUORDSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@H](C)Nn1c(C)ccc1C 715055662 573907414 /nfs/dbraw/zinc/90/74/14/573907414.db2.gz YCWFPYJKMMGYDU-SECBINFHSA-N 0 0 178.279 2.613 10 30 AFEERN C=CC[C@H](C)[C@H](O)C1(CC)CC1 715056488 573907541 /nfs/dbraw/zinc/90/75/41/573907541.db2.gz CKTJDKOPHZPLBZ-UWVGGRQHSA-N 0 0 168.280 2.750 10 30 AFEERN CC[C@H](C)N[C@H](C#N)c1cccs1 41672102 573907580 /nfs/dbraw/zinc/90/75/80/573907580.db2.gz JDTQEWYOWUQIEQ-DTWKUNHWSA-N 0 0 194.303 2.701 10 30 AFEERN CCc1cc(C#N)c2ccccc2n1 306799478 573907604 /nfs/dbraw/zinc/90/76/04/573907604.db2.gz FYILNFKLQKUHNK-UHFFFAOYSA-N 0 0 182.226 2.669 10 30 AFEERN CON=Cc1ccc(C(C)C)cc1 308462629 573913622 /nfs/dbraw/zinc/91/36/22/573913622.db2.gz IAXFPXFJAIGKDZ-UHFFFAOYSA-N 0 0 177.247 2.790 10 30 AFEERN C=C1C(=O)CC[C@@H]1C(C)(C)C 238183113 573913723 /nfs/dbraw/zinc/91/37/23/573913723.db2.gz XCCWSMFKVKIQMU-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(CC)[C@@H](C)[C@H](O)/C=C/C 238183500 573913830 /nfs/dbraw/zinc/91/38/30/573913830.db2.gz WOMKLKGVWKDCFZ-NDDURPPSSA-N 0 0 154.253 2.526 10 30 AFEERN CC(C)[C@H](C#N)c1ccc2[nH]cnc2c1 259237751 573913984 /nfs/dbraw/zinc/91/39/84/573913984.db2.gz MZURQTOQTORXER-JTQLQIEISA-N 0 0 199.257 2.826 10 30 AFEERN C=CC[C@H](C)[C@]1(O)CCOC(C)(C)C1 715058770 573914047 /nfs/dbraw/zinc/91/40/47/573914047.db2.gz TWWBEFKCFMKEFA-JQWIXIFHSA-N 0 0 198.306 2.519 10 30 AFEERN C=CC[C@H](C)[C@H](O)C1(C(C)C)CC1 715058579 573914054 /nfs/dbraw/zinc/91/40/54/573914054.db2.gz QUIBGUOFDPCLPJ-QWRGUYRKSA-N 0 0 182.307 2.996 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)C1(C(C)C)CC1 715058577 573914167 /nfs/dbraw/zinc/91/41/67/573914167.db2.gz QUIBGUOFDPCLPJ-GHMZBOCLSA-N 0 0 182.307 2.996 10 30 AFEERN C/C=C/C(=O)c1cc(F)ccc1OC 76635998 573914190 /nfs/dbraw/zinc/91/41/90/573914190.db2.gz GEVVHDHMLBTTIQ-ONEGZZNKSA-N 0 0 194.205 2.593 10 30 AFEERN CC[C@H]1C[C@H](C)CCC1=NOC 388456923 573914195 /nfs/dbraw/zinc/91/41/95/573914195.db2.gz DIYKSALCHOKFJT-BDAKNGLRSA-N 0 0 169.268 2.835 10 30 AFEERN C=C(C(C)C)[C@@H](O)C=C(C)C 238184319 573914938 /nfs/dbraw/zinc/91/49/38/573914938.db2.gz GSUODLCXUUXCDL-JTQLQIEISA-N 0 0 154.253 2.526 10 30 AFEERN C=C(CC)[C@H](O)c1ccccc1C 238184902 573914379 /nfs/dbraw/zinc/91/43/79/573914379.db2.gz YEHRQRCUEWUOLP-LBPRGKRZSA-N 0 0 176.259 2.995 10 30 AFEERN C=C1C[C@@H]2CC(C)C[C@H](C1)C2=O 238184791 573914461 /nfs/dbraw/zinc/91/44/61/573914461.db2.gz DHVCKNCDLYHUOH-PBINXNQUSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@]1(C(C)=O)CCCC=C1C 238184180 573914480 /nfs/dbraw/zinc/91/44/80/573914480.db2.gz QUBXMDMUCRMXPV-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C=CC[C@H](C)[C@](O)(CC)[C@@H]1C[C@@H]1C 715058336 573914753 /nfs/dbraw/zinc/91/47/53/573914753.db2.gz OMPKRITYWPKMRY-NNYUYHANSA-N 0 0 182.307 2.996 10 30 AFEERN CC[C@@H]1C[C@@H](C)CCC1=NOC 388456924 573914772 /nfs/dbraw/zinc/91/47/72/573914772.db2.gz DIYKSALCHOKFJT-DTWKUNHWSA-N 0 0 169.268 2.835 10 30 AFEERN Cc1ccc(C)c([C@H]2C[C@@H]2C#N)c1 259002894 573914776 /nfs/dbraw/zinc/91/47/76/573914776.db2.gz BNFUGZREPCYSPB-PWSUYJOCSA-N 0 0 171.243 2.931 10 30 AFEERN C=CC[C@H](C)[C@@H](O)C1(C(C)C)CC1 715058580 573915646 /nfs/dbraw/zinc/91/56/46/573915646.db2.gz QUIBGUOFDPCLPJ-WDEREUQCSA-N 0 0 182.307 2.996 10 30 AFEERN C=C(C(C)C)[C@H](O)C=C(C)C 238184737 573915020 /nfs/dbraw/zinc/91/50/20/573915020.db2.gz GSUODLCXUUXCDL-SNVBAGLBSA-N 0 0 154.253 2.526 10 30 AFEERN CC1=C[C@]2(C)CCCC2=CC1=O 238185287 573915114 /nfs/dbraw/zinc/91/51/14/573915114.db2.gz HLTZZKXSGFWLJW-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN C=C1C(=O)C[C@H]2[C@@H]1C=C(C)C2(C)C 238184504 573915170 /nfs/dbraw/zinc/91/51/70/573915170.db2.gz ZYEHGAUDVAUAGO-ZJUUUORDSA-N 0 0 176.259 2.734 10 30 AFEERN C=CC[C@H](C)[C@](O)(CC)[C@H]1C[C@H]1C 715058337 573915277 /nfs/dbraw/zinc/91/52/77/573915277.db2.gz OMPKRITYWPKMRY-NOOOWODRSA-N 0 0 182.307 2.996 10 30 AFEERN C=C=C(CC)C(=O)c1ccccc1 238185597 573915286 /nfs/dbraw/zinc/91/52/86/573915286.db2.gz RQXOXJBWNZESBP-UHFFFAOYSA-N 0 0 172.227 2.991 10 30 AFEERN C=CC[C@@H](C)Oc1ccccc1N 715058481 573915354 /nfs/dbraw/zinc/91/53/54/573915354.db2.gz PYLAZJNSXGRDAW-SECBINFHSA-N 0 0 177.247 2.612 10 30 AFEERN Cc1ccsc1CC1(C#N)CC1 259006995 573915368 /nfs/dbraw/zinc/91/53/68/573915368.db2.gz BXSUXEMGBFTZDY-UHFFFAOYSA-N 0 0 177.272 2.903 10 30 AFEERN C=CC[C@H](C)[C@](O)(CC)[C@H]1C[C@@H]1C 715058335 573915434 /nfs/dbraw/zinc/91/54/34/573915434.db2.gz OMPKRITYWPKMRY-FIQHERPVSA-N 0 0 182.307 2.996 10 30 AFEERN C=CC[C@@H](C)[C@@]1(O)CCOC(C)(C)C1 715058772 573915449 /nfs/dbraw/zinc/91/54/49/573915449.db2.gz TWWBEFKCFMKEFA-ZYHUDNBSSA-N 0 0 198.306 2.519 10 30 AFEERN CCSCCC[C@](C)(C#N)C(C)=O 131660519 573915590 /nfs/dbraw/zinc/91/55/90/573915590.db2.gz RNJGGIRUHUGWBG-SNVBAGLBSA-N 0 0 199.319 2.639 10 30 AFEERN CC(C)(C#N)[C@H](O)CC1CCCCC1 87474720 573926473 /nfs/dbraw/zinc/92/64/73/573926473.db2.gz NQTMVZFRGFTMSP-LLVKDONJSA-N 0 0 195.306 2.867 10 30 AFEERN C/C=C\C(=O)c1cccc2ncccc12 308781525 573926516 /nfs/dbraw/zinc/92/65/16/573926516.db2.gz NQPCDXANPMPUKG-DJWKRKHSSA-N 0 0 197.237 2.994 10 30 AFEERN C[C@@H](F)[C@H](C#N)C1CCCC1 258458929 573926537 /nfs/dbraw/zinc/92/65/37/573926537.db2.gz GUNBCJSTEGMXJS-APPZFPTMSA-N 0 0 155.216 2.674 10 30 AFEERN CCc1cccc(C)c1N[C@H](C)C#N 259013379 573926722 /nfs/dbraw/zinc/92/67/22/573926722.db2.gz RKBLUUZMQAAJMK-SNVBAGLBSA-N 0 0 188.274 2.881 10 30 AFEERN C=C[C@@H]1CC(C)=C(C)C[C@@H]1C=O 238198480 573926763 /nfs/dbraw/zinc/92/67/63/573926763.db2.gz QEUBWOOXUZDLNP-GHMZBOCLSA-N 0 0 164.248 2.734 10 30 AFEERN C=CC[C@@H](C)Sc1ccncc1N 715069315 573926879 /nfs/dbraw/zinc/92/68/79/573926879.db2.gz LULHAAUHARSMLP-MRVPVSSYSA-N 0 0 194.303 2.721 10 30 AFEERN Cc1cc([C@@]2(C#N)C[C@H]2C)ccc1F 259017345 573934585 /nfs/dbraw/zinc/93/45/85/573934585.db2.gz PCLPMFNCAHZAGE-BXKDBHETSA-N 0 0 189.233 2.935 10 30 AFEERN C=C[C@H]1CC(C)=C(C)C[C@H]1C=O 238196776 573934655 /nfs/dbraw/zinc/93/46/55/573934655.db2.gz QEUBWOOXUZDLNP-QWRGUYRKSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1ccc2c(c1)CCO2 259019469 573933930 /nfs/dbraw/zinc/93/39/30/573933930.db2.gz PLTQUUCAVMGRBF-WCQYABFASA-N 0 0 199.253 2.639 10 30 AFEERN CSc1ccc([C@H](F)C=O)cc1 257904994 573934045 /nfs/dbraw/zinc/93/40/45/573934045.db2.gz PMRHDIQAVDDNJE-SECBINFHSA-N 0 0 184.235 2.618 10 30 AFEERN C=C[C@H](C)CCC(=O)CC 238197456 573934062 /nfs/dbraw/zinc/93/40/62/573934062.db2.gz AJWBHUZFDFQPSD-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN CC1=C(C)C[C@](C#N)(C=O)C(C)(C)C1 238197975 573937335 /nfs/dbraw/zinc/93/73/35/573937335.db2.gz NSDONUUYXCWJJG-LBPRGKRZSA-N 0 0 191.274 2.852 10 30 AFEERN COc1cccc(C#N)c1C(C)(F)F 258184436 573937434 /nfs/dbraw/zinc/93/74/34/573937434.db2.gz WXKTZWFTHSYBNH-UHFFFAOYSA-N 0 0 197.184 2.679 10 30 AFEERN N#CCc1coc2cccc(F)c12 259585356 573937478 /nfs/dbraw/zinc/93/74/78/573937478.db2.gz FOLJTDQKMVZKGP-UHFFFAOYSA-N 0 0 175.162 2.638 10 30 AFEERN CCc1occc1C1(C#N)CCC1 259585336 573937596 /nfs/dbraw/zinc/93/75/96/573937596.db2.gz FNTWPYYQTZWRNB-UHFFFAOYSA-N 0 0 175.231 2.787 10 30 AFEERN C[C@@H]1CCc2c(csc2C#N)C1 259585367 573937612 /nfs/dbraw/zinc/93/76/12/573937612.db2.gz FPCINCSKZLXVDQ-SSDOTTSWSA-N 0 0 177.272 2.745 10 30 AFEERN C=CC/C(C)=C/CCC(C)=O 205542080 573937774 /nfs/dbraw/zinc/93/77/74/573937774.db2.gz ZBWDLGBBLPGSQB-VQHVLOKHSA-N 0 0 152.237 2.878 10 30 AFEERN C[C@H]1CCc2c(csc2C#N)C1 259585368 573937820 /nfs/dbraw/zinc/93/78/20/573937820.db2.gz FPCINCSKZLXVDQ-ZETCQYMHSA-N 0 0 177.272 2.745 10 30 AFEERN Cc1cc([C@@H](C#N)C2CC2)[nH]c1C 259585359 573937839 /nfs/dbraw/zinc/93/78/39/573937839.db2.gz FOQYBWZRVQZGEO-JTQLQIEISA-N 0 0 174.247 2.649 10 30 AFEERN Cc1ccsc1[C@H](N)C(C)(C)C#N 259244791 573937942 /nfs/dbraw/zinc/93/79/42/573937942.db2.gz GDEBPTDSRVVRBA-VIFPVBQESA-N 0 0 194.303 2.606 10 30 AFEERN CC1=C([Si](C)(C)C)CCC1=O 238214583 573940453 /nfs/dbraw/zinc/94/04/53/573940453.db2.gz RMUMQOVTJAFHBW-UHFFFAOYSA-N 0 0 168.312 2.543 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1cc(F)ccc1F 259023849 573940455 /nfs/dbraw/zinc/94/04/55/573940455.db2.gz QFGAWGZKMOULSN-MWLCHTKSSA-N 0 0 193.196 2.982 10 30 AFEERN C=C1C(C)(C)[C@@H]2CC[C@@]1(C=O)C2 238214917 573940459 /nfs/dbraw/zinc/94/04/59/573940459.db2.gz CDILQNOUQJFBSY-KOLCDFICSA-N 0 0 164.248 2.568 10 30 AFEERN CCCC1=C(Cl)CCC1=O 238200513 573940547 /nfs/dbraw/zinc/94/05/47/573940547.db2.gz OMKZQAKDXKYTQJ-UHFFFAOYSA-N 0 0 158.628 2.642 10 30 AFEERN CCCCCCCC(=O)[C@@H]1C[C@H]1OC 690016687 573940665 /nfs/dbraw/zinc/94/06/65/573940665.db2.gz ACMZPZURCHEFSW-CMPLNLGQSA-N 0 0 198.306 2.951 10 30 AFEERN C=C(C)C[C@H](C)[C@@H](O)C(C)C 238214523 573940754 /nfs/dbraw/zinc/94/07/54/573940754.db2.gz ALSJZQUMQMEKPI-UWVGGRQHSA-N 0 0 156.269 2.606 10 30 AFEERN C=CCCC(=O)c1sc(C)nc1C 235826101 573940756 /nfs/dbraw/zinc/94/07/56/573940756.db2.gz LNBZSOULMIISJA-UHFFFAOYSA-N 0 0 195.287 2.909 10 30 AFEERN Cn1c(CS)cc2cccc(F)c21 257906410 573940915 /nfs/dbraw/zinc/94/09/15/573940915.db2.gz OZMQLSMLLURZOK-UHFFFAOYSA-N 0 0 195.262 2.747 10 30 AFEERN CCCC=C=CC(=O)c1ccoc1 238214567 573940921 /nfs/dbraw/zinc/94/09/21/573940921.db2.gz NYMKLGCFQCHFJO-UHFFFAOYSA-N 0 0 176.215 2.656 10 30 AFEERN CCC1=C2CCC[C@H]2CCC1=O 238200690 573940958 /nfs/dbraw/zinc/94/09/58/573940958.db2.gz CMZFQQKFTRFGHD-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN CC1(C)CCCC12C=CC(=O)C=C2 238200697 573941117 /nfs/dbraw/zinc/94/11/17/573941117.db2.gz DUUYGGGTBCRHIO-UHFFFAOYSA-N 0 0 176.259 2.878 10 30 AFEERN CCCCCCCC(=O)[C@H]1C[C@H]1OC 690016698 573941133 /nfs/dbraw/zinc/94/11/33/573941133.db2.gz ACMZPZURCHEFSW-ZYHUDNBSSA-N 0 0 198.306 2.951 10 30 AFEERN CC1(C)CCC[C@H](CCC#N)C1=O 238214702 573941177 /nfs/dbraw/zinc/94/11/77/573941177.db2.gz VCSJUSIBZCJZBB-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@H]1CC[C@H]1Nc1ccccc1C#N 306191164 573941189 /nfs/dbraw/zinc/94/11/89/573941189.db2.gz XMVZPNJXJYXTMB-GXSJLCMTSA-N 0 0 186.258 2.769 10 30 AFEERN CCC/C=C/C1=CCCC1=O 81221576 573941403 /nfs/dbraw/zinc/94/14/03/573941403.db2.gz MTFJBXKIZCTRSC-GQCTYLIASA-N 0 0 150.221 2.632 10 30 AFEERN CC/C=C\C(=O)c1cnc(C)c(C)c1 308467346 573941456 /nfs/dbraw/zinc/94/14/56/573941456.db2.gz HREVCOUAQNATFL-WAYWQWQTSA-N 0 0 189.258 2.847 10 30 AFEERN CCCSCCCCS 81197997 573941576 /nfs/dbraw/zinc/94/15/76/573941576.db2.gz LIWKTOPOYWXSPO-UHFFFAOYSA-N 0 0 164.339 2.840 10 30 AFEERN CC=CC(=O)c1sc(C)nc1C 235825976 573941602 /nfs/dbraw/zinc/94/16/02/573941602.db2.gz TUSVKEFJPSUCHU-UHFFFAOYSA-N 0 0 181.260 2.519 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1cc(F)ccc1F 259023843 573941752 /nfs/dbraw/zinc/94/17/52/573941752.db2.gz QFGAWGZKMOULSN-GXSJLCMTSA-N 0 0 193.196 2.982 10 30 AFEERN COc1ccc(F)cc1[C@@H]1OC1(C)C 259246765 573946472 /nfs/dbraw/zinc/94/64/72/573946472.db2.gz KLUJRFHQVFVUBJ-JTQLQIEISA-N 0 0 196.221 2.684 10 30 AFEERN CC(C)[C@](F)(C=O)c1ccccc1 238205543 573946571 /nfs/dbraw/zinc/94/65/71/573946571.db2.gz IFOKWFBVXJCGHL-LLVKDONJSA-N 0 0 180.222 2.706 10 30 AFEERN CC(C)C(C(C)C)n1cc(C#N)cn1 238205954 573946603 /nfs/dbraw/zinc/94/66/03/573946603.db2.gz QSFSADXLAXFNTF-UHFFFAOYSA-N 0 0 191.278 2.608 10 30 AFEERN CC1=C2C(=O)CCC[C@H]2CCC1 238215322 573947656 /nfs/dbraw/zinc/94/76/56/573947656.db2.gz PRYGTRBFHKNAFU-SECBINFHSA-N 0 0 164.248 2.856 10 30 AFEERN C=C[C@]1(C(C)C)CCC[C@@H]1CO 238204276 573947674 /nfs/dbraw/zinc/94/76/74/573947674.db2.gz WMXICRLNLLJGAA-GHMZBOCLSA-N 0 0 168.280 2.607 10 30 AFEERN CC(F)(F)[C@@H](C=O)c1ccccc1 257913876 573947825 /nfs/dbraw/zinc/94/78/25/573947825.db2.gz QPQVFUPMTVBTBW-VIFPVBQESA-N 0 0 184.185 2.624 10 30 AFEERN C=CC[C@@H](O)Cc1ccc(Cl)cc1 42394686 573947887 /nfs/dbraw/zinc/94/78/87/573947887.db2.gz RBTHEISKIHGAOP-LLVKDONJSA-N 0 0 196.677 2.820 10 30 AFEERN C=C[C@@H]1[C@@H]2CC(=O)C=C2CC1(C)C 238205392 573947898 /nfs/dbraw/zinc/94/78/98/573947898.db2.gz GLEQTXQVFZEJGN-GHMZBOCLSA-N 0 0 176.259 2.734 10 30 AFEERN CC1=C(C)[C@]2(C)[C@H](C1=O)C2(C)C 238204072 573947971 /nfs/dbraw/zinc/94/79/71/573947971.db2.gz HBWDSNCFDXHXMH-MWLCHTKSSA-N 0 0 164.248 2.568 10 30 AFEERN C=C=C([C@@H](O)[C@H](C)C=C)[Si](C)(C)C 215018615 573948126 /nfs/dbraw/zinc/94/81/26/573948126.db2.gz VQMHLUDKTWDFSF-KOLCDFICSA-N 0 0 196.366 2.758 10 30 AFEERN CC(C)[C@](Cl)(C=O)c1ccccc1 238205498 573948136 /nfs/dbraw/zinc/94/81/36/573948136.db2.gz WNOQHZAPPQIENC-LLVKDONJSA-N 0 0 196.677 2.976 10 30 AFEERN C=C[C@H]1[C@H]2CC(=O)C=C2CC1(C)C 238205262 573948215 /nfs/dbraw/zinc/94/82/15/573948215.db2.gz GLEQTXQVFZEJGN-QWRGUYRKSA-N 0 0 176.259 2.734 10 30 AFEERN Cc1cc(C)c([C@H](O)CS)cc1C 259249179 573951836 /nfs/dbraw/zinc/95/18/36/573951836.db2.gz PPYAWFSBKVRWQZ-LLVKDONJSA-N 0 0 196.315 2.575 10 30 AFEERN CC1=C[C@](C)(C(C)C)CC1=O 238207905 573951897 /nfs/dbraw/zinc/95/18/97/573951897.db2.gz DNGBELKUAAXXGR-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)[C@H](O)C#CC1CCCCC1 238207866 573952007 /nfs/dbraw/zinc/95/20/07/573952007.db2.gz VEDHNLVCBUNKRK-GFCCVEGCSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(C)[C@]1(OC)CC[C@@H](C)C[C@@H]1OC 256228598 573952053 /nfs/dbraw/zinc/95/20/53/573952053.db2.gz OQPJRIHVZDBHNM-GRYCIOLGSA-N 0 0 198.306 2.783 10 30 AFEERN CC(C)[C@@H](C=O)C1C=CC=CC=C1 238206860 573952078 /nfs/dbraw/zinc/95/20/78/573952078.db2.gz ZMOZOOSQTYTQBJ-GFCCVEGCSA-N 0 0 176.259 2.756 10 30 AFEERN C=CCC1=C(C)C(C)(C)[C@H](O)C1 238207206 573952252 /nfs/dbraw/zinc/95/22/52/573952252.db2.gz NWFCTVIASRXNLH-SNVBAGLBSA-N 0 0 166.264 2.670 10 30 AFEERN COc1ccc(C(C)(C)F)cc1C#N 258186923 573952419 /nfs/dbraw/zinc/95/24/19/573952419.db2.gz XATLEOXFBLLHBT-UHFFFAOYSA-N 0 0 193.221 2.771 10 30 AFEERN CCCCC[C@@H](C)[C@H]1CO1 238206568 573952434 /nfs/dbraw/zinc/95/24/34/573952434.db2.gz VJXMADSGAKPICT-RKDXNWHRSA-N 0 0 142.242 2.602 10 30 AFEERN C=C(C)[C@]1(OC)CC[C@H](C)C[C@@H]1OC 256228602 573952542 /nfs/dbraw/zinc/95/25/42/573952542.db2.gz OQPJRIHVZDBHNM-SDDRHHMPSA-N 0 0 198.306 2.783 10 30 AFEERN N#C[C@H](NC1CCCCC1)C1CCC1 87585287 573955418 /nfs/dbraw/zinc/95/54/18/573955418.db2.gz WKDICGQDRVHYDT-LBPRGKRZSA-N 0 0 192.306 2.601 10 30 AFEERN C=CC[C@@H]1CCCC(CO)=C1C 238209798 573955592 /nfs/dbraw/zinc/95/55/92/573955592.db2.gz VLUNFWARGKGTFF-SNVBAGLBSA-N 0 0 166.264 2.671 10 30 AFEERN N#C[C@@H](NC1CCCCC1)C1CCC1 87585288 573955749 /nfs/dbraw/zinc/95/57/49/573955749.db2.gz WKDICGQDRVHYDT-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN C=C[C@H](O)C(C)=C1CCCCC1 238210178 573955825 /nfs/dbraw/zinc/95/58/25/573955825.db2.gz XIBFPTHEMXCCEF-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@]1(C)CCC[C@H](O)C1(C)C 238209425 573955914 /nfs/dbraw/zinc/95/59/14/573955914.db2.gz ARNACCDEUFKTRO-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN C#C[C@H](O)CC1=C(C)CCCC1(C)C 238210305 573955961 /nfs/dbraw/zinc/95/59/61/573955961.db2.gz FBNOJLUMHRLBBW-NSHDSACASA-N 0 0 192.302 2.897 10 30 AFEERN Cc1ncc(C#N)n1C1CCCCC1 259251753 573955964 /nfs/dbraw/zinc/95/59/64/573955964.db2.gz DWKQFBIUJWWKIE-UHFFFAOYSA-N 0 0 189.262 2.568 10 30 AFEERN C=C[C@@]1(C(C)C)CCC[C@@H]1CO 238209478 573955976 /nfs/dbraw/zinc/95/59/76/573955976.db2.gz WMXICRLNLLJGAA-MNOVXSKESA-N 0 0 168.280 2.607 10 30 AFEERN C=C[C@@]1(C(C)C)CCC[C@H]1CO 238209506 573955983 /nfs/dbraw/zinc/95/59/83/573955983.db2.gz WMXICRLNLLJGAA-QWRGUYRKSA-N 0 0 168.280 2.607 10 30 AFEERN C=C1[C@@H](CC(C)=O)[C@@]1(C)C(C)C 238209382 573956043 /nfs/dbraw/zinc/95/60/43/573956043.db2.gz FHQXULFBVGNGCK-MNOVXSKESA-N 0 0 166.264 2.814 10 30 AFEERN C=C1CC[C@H]2C(C)=CC(=O)CC[C@@H]12 238216884 573963228 /nfs/dbraw/zinc/96/32/28/573963228.db2.gz FEHQYODRMLFRLM-RYUDHWBXSA-N 0 0 176.259 2.878 10 30 AFEERN CSc1ccccc1[C@](C)(F)C=O 257920189 573963459 /nfs/dbraw/zinc/96/34/59/573963459.db2.gz YCLLZVAEVALGBC-SNVBAGLBSA-N 0 0 198.262 2.792 10 30 AFEERN CCCCC#C[C@@H](O)C#CC(C)(C)C 238216207 573963597 /nfs/dbraw/zinc/96/35/97/573963597.db2.gz KHRUJKCQPMYNGV-GFCCVEGCSA-N 0 0 192.302 2.590 10 30 AFEERN C=CC[C@]1(C)CCC(=O)C=C1C 238216897 573963618 /nfs/dbraw/zinc/96/36/18/573963618.db2.gz ZMPCYJVAMIEABM-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CC/C=C(/C)[C@H](O)C#C[Si](C)(C)C 238216428 573963631 /nfs/dbraw/zinc/96/36/31/573963631.db2.gz BVINPNOIBWOPCE-ZJRUKIMVSA-N 0 0 196.366 2.584 10 30 AFEERN C=C1CC[C@@H]2C(C)=CC(=O)CC[C@H]12 238217081 573963844 /nfs/dbraw/zinc/96/38/44/573963844.db2.gz FEHQYODRMLFRLM-VXGBXAGGSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCC[C@H]1CCC(=O)C=C1C 238216787 573963852 /nfs/dbraw/zinc/96/38/52/573963852.db2.gz FZBBMQPRBJHNOS-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN CC/C=C(/C)[C@@H](O)C#C[Si](C)(C)C 238215889 573963859 /nfs/dbraw/zinc/96/38/59/573963859.db2.gz BVINPNOIBWOPCE-BRNRAETOSA-N 0 0 196.366 2.584 10 30 AFEERN CCCCC#C[C@@H](O)c1ccco1 238216826 573963982 /nfs/dbraw/zinc/96/39/82/573963982.db2.gz FEMBDFAXMGFEOW-SNVBAGLBSA-N 0 0 178.231 2.507 10 30 AFEERN CC1(C)[C@@H]2SC=C[C@@]2(C=O)C1(C)C 238219523 573966170 /nfs/dbraw/zinc/96/61/70/573966170.db2.gz OPTNMADXMFQECX-KWQFWETISA-N 0 0 196.315 2.867 10 30 AFEERN CC1=CC(=O)[C@@H](C(C)(C)C)C1 238219467 573965568 /nfs/dbraw/zinc/96/55/68/573965568.db2.gz HIJIPXLJRGZCKF-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CC1(C)[C@@H]2SC=C[C@]2(C=O)C1(C)C 238219534 573966257 /nfs/dbraw/zinc/96/62/57/573966257.db2.gz OPTNMADXMFQECX-GZMMTYOYSA-N 0 0 196.315 2.867 10 30 AFEERN COc1cc(C#N)cc(F)c1C(C)C 258192060 573965628 /nfs/dbraw/zinc/96/56/28/573965628.db2.gz XOLBAMOTDGIJDM-UHFFFAOYSA-N 0 0 193.221 2.829 10 30 AFEERN CC(C)c1ccc(CCC=O)c(O)c1 258192050 573965890 /nfs/dbraw/zinc/96/58/90/573965890.db2.gz XOGDVPIJVKNMHL-UHFFFAOYSA-N 0 0 192.258 2.647 10 30 AFEERN C=C1[C@H]2CCCC(=O)[C@@H]2C1(C)C 238219682 573965952 /nfs/dbraw/zinc/96/59/52/573965952.db2.gz NIOOZVREDUIDIN-PSASIEDQSA-N 0 0 164.248 2.568 10 30 AFEERN CCCCC#C[C@H](O)c1ccc(C)o1 238218360 573966051 /nfs/dbraw/zinc/96/60/51/573966051.db2.gz CEDLQHZBNVEETJ-NSHDSACASA-N 0 0 192.258 2.815 10 30 AFEERN N#Cc1noc(C2CCCC2)c1Cl 82320513 573966052 /nfs/dbraw/zinc/96/60/52/573966052.db2.gz LBQRQTQMGCJSMY-UHFFFAOYSA-N 0 0 196.637 2.857 10 30 AFEERN CCCCNN=C1CC[C@@H]1C1CC1 393574897 573966285 /nfs/dbraw/zinc/96/62/85/573966285.db2.gz VJFGOZPTTINRTI-SNVBAGLBSA-N 0 0 180.295 2.552 10 30 AFEERN CCO[C@H](C#N)c1ccc(C)c(C)c1 85090513 573977023 /nfs/dbraw/zinc/97/70/23/573977023.db2.gz RUJSSNNZEWWLHT-GFCCVEGCSA-N 0 0 189.258 2.905 10 30 AFEERN CCO[C@]1(C#N)CCCC(C)(C)C1 85090323 573977032 /nfs/dbraw/zinc/97/70/32/573977032.db2.gz FCQFRTISYSYUPI-LLVKDONJSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@]1(C#N)CCC[C@H](C2CC2)C1 85090339 573977048 /nfs/dbraw/zinc/97/70/48/573977048.db2.gz FFVVDFUXRKAUDT-NWDGAFQWSA-N 0 0 193.290 2.885 10 30 AFEERN CCc1ccc([C@H](C#N)OC)s1 85090988 573977105 /nfs/dbraw/zinc/97/71/05/573977105.db2.gz BJFLULPBWAHVNS-QMMMGPOBSA-N 0 0 181.260 2.522 10 30 AFEERN CO[C@@H](C#N)c1c(C)cc(C)cc1C 85090898 573977131 /nfs/dbraw/zinc/97/71/31/573977131.db2.gz YJEZDEQHJMOYDE-NSHDSACASA-N 0 0 189.258 2.823 10 30 AFEERN CC1=CC(=O)[C@@]2(C)CCCC[C@H]12 238220998 573977165 /nfs/dbraw/zinc/97/71/65/573977165.db2.gz FJNKHTAABNORNO-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(CCCC)[C@@H]1CCC1=O 238221024 573977169 /nfs/dbraw/zinc/97/71/69/573977169.db2.gz LLXGIMWOSSBDPV-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)c1cnc2[nH]cc(C#N)c2c1 238221168 573977175 /nfs/dbraw/zinc/97/71/75/573977175.db2.gz MMWNPHIEHILDBC-UHFFFAOYSA-N 0 0 185.230 2.558 10 30 AFEERN CCO[C@H](C#N)c1sccc1C 85090692 573976367 /nfs/dbraw/zinc/97/63/67/573976367.db2.gz PBOHZQNTBDLQQF-MRVPVSSYSA-N 0 0 181.260 2.658 10 30 AFEERN C[C@H](C=O)C1CCCCCC1 81947903 573976374 /nfs/dbraw/zinc/97/63/74/573976374.db2.gz PHKBTNMVDRKNHC-SECBINFHSA-N 0 0 154.253 2.792 10 30 AFEERN CCO[C@@H](C#N)C1CCCCCC1 85090556 573976375 /nfs/dbraw/zinc/97/63/75/573976375.db2.gz BHCDMKAOCGREPX-NSHDSACASA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@]1(C#N)CCC[C@H](C)[C@@H]1C 85090611 573976380 /nfs/dbraw/zinc/97/63/80/573976380.db2.gz XMDSASHRTUFPCX-DCAQKATOSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@H](C#N)c1ccccc1Cl 85090487 573976417 /nfs/dbraw/zinc/97/64/17/573976417.db2.gz BFPBXHDNCDVEGJ-SNVBAGLBSA-N 0 0 195.649 2.941 10 30 AFEERN CCO[C@@H](C#N)c1ccc(F)cc1F 85090635 573976430 /nfs/dbraw/zinc/97/64/30/573976430.db2.gz GAXNGSUNBAAPAG-JTQLQIEISA-N 0 0 197.184 2.566 10 30 AFEERN CCO[C@@]1(C#N)CCCC[C@@H]1CC 85090441 573976451 /nfs/dbraw/zinc/97/64/51/573976451.db2.gz YDEICXFDQWKEDF-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@H](C#N)c1ccc(Cl)cc1 85090432 573976487 /nfs/dbraw/zinc/97/64/87/573976487.db2.gz PACARTIRPOGWMC-SNVBAGLBSA-N 0 0 195.649 2.941 10 30 AFEERN CO[C@@]1(C#N)C[C@@H](C)CC(C)(C)C1 85090945 573976495 /nfs/dbraw/zinc/97/64/95/573976495.db2.gz MKSGUHCOPRQLLT-ONGXEEELSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@]1(C#N)CCC[C@@H](C)[C@@H]1C 85090613 573976512 /nfs/dbraw/zinc/97/65/12/573976512.db2.gz XMDSASHRTUFPCX-VWYCJHECSA-N 0 0 181.279 2.741 10 30 AFEERN CC[C@@H]1C[C@@H](C#N)C[C@H]1C 259588809 573976517 /nfs/dbraw/zinc/97/65/17/573976517.db2.gz LCXJREZQMFGDNL-HRDYMLBCSA-N 0 0 137.226 2.582 10 30 AFEERN CCO[C@@]1(C#N)CCC[C@@H](CC)C1 85090426 573976537 /nfs/dbraw/zinc/97/65/37/573976537.db2.gz NSRIUZPSKYQENH-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@@H](C#N)c1ccccc1Cl 85090486 573976601 /nfs/dbraw/zinc/97/66/01/573976601.db2.gz BFPBXHDNCDVEGJ-JTQLQIEISA-N 0 0 195.649 2.941 10 30 AFEERN CCOC1(C#N)C[C@H](C)C[C@@H](C)C1 85090666 573976617 /nfs/dbraw/zinc/97/66/17/573976617.db2.gz PRBBBRUHYIHSRI-NXEZZACHSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@@H](C#N)c1ccc(Cl)cc1 85090431 573976629 /nfs/dbraw/zinc/97/66/29/573976629.db2.gz PACARTIRPOGWMC-JTQLQIEISA-N 0 0 195.649 2.941 10 30 AFEERN CO[C@@]1(C#N)CCCC(C)(C)CC1 85091201 573976646 /nfs/dbraw/zinc/97/66/46/573976646.db2.gz VQPJBGAGXBHLIZ-NSHDSACASA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@@H](C#N)C1CCC(C)CC1 85090725 573976657 /nfs/dbraw/zinc/97/66/57/573976657.db2.gz HSGFGLRDDNHBTG-ILDUYXDCSA-N 0 0 181.279 2.741 10 30 AFEERN CO[C@]1(C#N)C[C@@H](C)CC(C)(C)C1 85090947 573976666 /nfs/dbraw/zinc/97/66/66/573976666.db2.gz MKSGUHCOPRQLLT-GXSJLCMTSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@H](C#N)c1cccc(C)c1 85090585 573976693 /nfs/dbraw/zinc/97/66/93/573976693.db2.gz OOOAZUCJFMTMGE-LLVKDONJSA-N 0 0 175.231 2.596 10 30 AFEERN CCCC#Cc1ccc(F)cc1C=O 238222011 573976694 /nfs/dbraw/zinc/97/66/94/573976694.db2.gz ITMKWNFZJNOIBZ-UHFFFAOYSA-N 0 0 190.217 2.790 10 30 AFEERN CCCC1CCC(C#N)(OC)CC1 85091086 573976702 /nfs/dbraw/zinc/97/67/02/573976702.db2.gz IQFOBMORRDOQMZ-UHFFFAOYSA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@@H]1C[C@H](C#N)C[C@H]1C 259588812 573976758 /nfs/dbraw/zinc/97/67/58/573976758.db2.gz LCXJREZQMFGDNL-IWSPIJDZSA-N 0 0 137.226 2.582 10 30 AFEERN CO[C@@H](C#N)c1cc(C)ccc1C 85090769 573976798 /nfs/dbraw/zinc/97/67/98/573976798.db2.gz DNNBZHIFYAYFHD-NSHDSACASA-N 0 0 175.231 2.515 10 30 AFEERN CO[C@H](C#N)c1c(F)cccc1Cl 85091117 573976853 /nfs/dbraw/zinc/97/68/53/573976853.db2.gz SYSWEPDFBXHGJQ-MRVPVSSYSA-N 0 0 199.612 2.690 10 30 AFEERN CCCC#C[C@H]1CCCCC1=O 238221201 573976855 /nfs/dbraw/zinc/97/68/55/573976855.db2.gz WDODZCPPBDVBCL-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN CCO[C@H](C#N)[C@H]1CCC[C@H](C)C1 85090632 573976863 /nfs/dbraw/zinc/97/68/63/573976863.db2.gz MHKPBSXQDZMBHW-GARJFASQSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@]1(C#N)CCC[C@H](C)CC1 85090476 573976885 /nfs/dbraw/zinc/97/68/85/573976885.db2.gz CSWHTISKKXBHDV-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@H](C#N)c1cc(C)sc1C 85090409 573976887 /nfs/dbraw/zinc/97/68/87/573976887.db2.gz RWQGSRBHHCDEDF-SNVBAGLBSA-N 0 0 195.287 2.966 10 30 AFEERN CCO[C@H](C#N)c1ccc(F)cc1C 85090603 573976895 /nfs/dbraw/zinc/97/68/95/573976895.db2.gz NGWIQYDWCXJYPL-LLVKDONJSA-N 0 0 193.221 2.735 10 30 AFEERN CCO[C@@H](C#N)c1ccc(F)cc1C 85090602 573976900 /nfs/dbraw/zinc/97/69/00/573976900.db2.gz NGWIQYDWCXJYPL-NSHDSACASA-N 0 0 193.221 2.735 10 30 AFEERN CCO[C@@](C)(C#N)C1CCCCC1 85090362 573976927 /nfs/dbraw/zinc/97/69/27/573976927.db2.gz PDWYJVYXBLXFSO-NSHDSACASA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@H](C#N)c1ccccc1C 85090581 573976977 /nfs/dbraw/zinc/97/69/77/573976977.db2.gz HWCHWMIHQDQREG-LLVKDONJSA-N 0 0 175.231 2.596 10 30 AFEERN CCO[C@@H](C#N)c1ccc(F)c(C)c1 85090523 573976987 /nfs/dbraw/zinc/97/69/87/573976987.db2.gz DYTQDHFFPHPZSD-NSHDSACASA-N 0 0 193.221 2.735 10 30 AFEERN CC[C@H]1CCC[C@](C#N)(OC)CC1 85090800 573977017 /nfs/dbraw/zinc/97/70/17/573977017.db2.gz MVRZOBAQJZXDDX-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN Cc1ccc(C2(C=O)CC=CC2)cc1 104450555 573984227 /nfs/dbraw/zinc/98/42/27/573984227.db2.gz GWQBFSCDGTXJFR-UHFFFAOYSA-N 0 0 186.254 2.782 10 30 AFEERN O=C(C=CO)c1cc2ccccc2o1 110898722 573984353 /nfs/dbraw/zinc/98/43/53/573984353.db2.gz XJUZSHYPEJGPJA-AATRIKPKSA-N 0 0 188.182 2.687 10 30 AFEERN C=C(C)C(C)(C)C(=O)CCC 238224796 573984426 /nfs/dbraw/zinc/98/44/26/573984426.db2.gz NINDFMBMSJQFKI-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1ccc(SCS)cc1 259258294 573984448 /nfs/dbraw/zinc/98/44/48/573984448.db2.gz POXYTOKWZALVAC-UHFFFAOYSA-N 0 0 170.302 2.974 10 30 AFEERN C=CC[C@@H]1C(=O)C[C@H]2C[C@@H]1C2(C)C 238224790 573984512 /nfs/dbraw/zinc/98/45/12/573984512.db2.gz YILOCBYSDXFUIE-UTLUCORTSA-N 0 0 178.275 2.814 10 30 AFEERN CC/C=C1\C(=O)C[C@@H]2CCC[C@@H]12 238225753 573984663 /nfs/dbraw/zinc/98/46/63/573984663.db2.gz IWCQXNSQMFYLRZ-XVCOQGEDSA-N 0 0 164.248 2.712 10 30 AFEERN O=CCC(=O)c1cccc(Cl)c1 110898813 573984838 /nfs/dbraw/zinc/98/48/38/573984838.db2.gz ADEJHMDMELDWDZ-SNAWJCMRSA-N 0 0 182.606 2.594 10 30 AFEERN C=C1C(=O)[C@H]2CCC[C@@H]2C1(C)C 238225416 573984853 /nfs/dbraw/zinc/98/48/53/573984853.db2.gz GFJYYNWCIXRJAA-IUCAKERBSA-N 0 0 164.248 2.568 10 30 AFEERN C=CCC1(C)C=C(C)C(O)C(C)=C1 238225267 573985631 /nfs/dbraw/zinc/98/56/31/573985631.db2.gz KNVIDNQAHWSYNN-UHFFFAOYSA-N 0 0 178.275 2.836 10 30 AFEERN COc1c(C)c(C)cc(C)c1[C@H]1CO1 259258880 573985657 /nfs/dbraw/zinc/98/56/57/573985657.db2.gz LDQOTXOIMWMAOM-SNVBAGLBSA-N 0 0 192.258 2.692 10 30 AFEERN CCC[C@H]1CCC(O)=C(C=O)C1 110898868 573985687 /nfs/dbraw/zinc/98/56/87/573985687.db2.gz JMVKOYVMVXVUIY-INTFFVIUSA-N 0 0 168.236 2.598 10 30 AFEERN CC1(C)C(=O)C=C[C@H]2CCCC[C@@H]21 238225275 573985702 /nfs/dbraw/zinc/98/57/02/573985702.db2.gz VMQZHWKNTHGHRF-ZJUUUORDSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@H]1C(=O)C(C)=CC1(C)C 238225036 573985706 /nfs/dbraw/zinc/98/57/06/573985706.db2.gz MOWJJUZRCNPBGA-SECBINFHSA-N 0 0 164.248 2.734 10 30 AFEERN CC/C=C/[C@H]1CCC[C@H]1C=O 238224900 573984915 /nfs/dbraw/zinc/98/49/15/573984915.db2.gz ZDLBYHAYYAXUMB-GMRPRLDHSA-N 0 0 152.237 2.568 10 30 AFEERN CCC(C#N)(CC)c1ccc(O)cc1 82057186 573984953 /nfs/dbraw/zinc/98/49/53/573984953.db2.gz VWLFBXQEYXERSZ-UHFFFAOYSA-N 0 0 189.258 2.974 10 30 AFEERN C=C1CC[C@H]2[C@H](CC1=O)C2(C)C 238224912 573984992 /nfs/dbraw/zinc/98/49/92/573984992.db2.gz YXRXMOODBXUWEA-IUCAKERBSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@H]1CC(=O)C[C@@H]1/C=C/CC 238224863 573985036 /nfs/dbraw/zinc/98/50/36/573985036.db2.gz LJVAIIOJKVNAME-ROSGPLSXSA-N 0 0 164.248 2.734 10 30 AFEERN COc1c(C)c(C)cc(C)c1[C@@H]1CO1 259258878 573985092 /nfs/dbraw/zinc/98/50/92/573985092.db2.gz LDQOTXOIMWMAOM-JTQLQIEISA-N 0 0 192.258 2.692 10 30 AFEERN C=C1C=C[C@H](C(C)C)[C@H](C(C)=O)C1 238225405 573985146 /nfs/dbraw/zinc/98/51/46/573985146.db2.gz XCLQCQVQGJTZNH-NEPJUHHUSA-N 0 0 178.275 2.980 10 30 AFEERN CC1(C)C(=O)C=C[C@@H]2CCC[C@@H]21 238225582 573985230 /nfs/dbraw/zinc/98/52/30/573985230.db2.gz PEAXOYRUNHXJSN-IUCAKERBSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(N)c(C#N)c2sccc12 306941315 573985272 /nfs/dbraw/zinc/98/52/72/573985272.db2.gz QNLAMKUZUCMQAY-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CC1(C)CC[C@@]2(C)C=CC(=O)C[C@@H]12 238225292 573985304 /nfs/dbraw/zinc/98/53/04/573985304.db2.gz ZWEIRABNBSWEGX-CMPLNLGQSA-N 0 0 178.275 2.958 10 30 AFEERN C=C1C=C[C@H](C(C)C)[C@@H](C(C)=O)C1 238225390 573985342 /nfs/dbraw/zinc/98/53/42/573985342.db2.gz XCLQCQVQGJTZNH-VXGBXAGGSA-N 0 0 178.275 2.980 10 30 AFEERN C=C1[C@@H]2C(=O)CCC[C@@H]2C1(C)C 238225240 573985436 /nfs/dbraw/zinc/98/54/36/573985436.db2.gz NYWTUFHBEMSXPZ-WPRPVWTQSA-N 0 0 164.248 2.568 10 30 AFEERN CCCCCCCO[C@H](C)CCO 238225598 573985444 /nfs/dbraw/zinc/98/54/44/573985444.db2.gz HRWCBPZPTTYOOW-LLVKDONJSA-N 0 0 188.311 2.744 10 30 AFEERN C=C[C@@H]1C(=O)[C@H]2CCC[C@@H]2C1(C)C 238225445 573985464 /nfs/dbraw/zinc/98/54/64/573985464.db2.gz IZDMBVURGVLVMU-AEJSXWLSSA-N 0 0 178.275 2.814 10 30 AFEERN C=C1C(=O)[C@H]2C[C@@H](C1(C)C)C2(C)C 238224374 573985476 /nfs/dbraw/zinc/98/54/76/573985476.db2.gz OUFVWPDSDNFKSD-BDAKNGLRSA-N 0 0 178.275 2.814 10 30 AFEERN CC1(C)C(=O)C=C[C@@H]2CCCC[C@@H]21 238225316 573985506 /nfs/dbraw/zinc/98/55/06/573985506.db2.gz VMQZHWKNTHGHRF-UWVGGRQHSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@H]1C(=O)C[C@H]2C[C@@H]1C2(C)C 238224602 573985521 /nfs/dbraw/zinc/98/55/21/573985521.db2.gz YILOCBYSDXFUIE-BBBLOLIVSA-N 0 0 178.275 2.814 10 30 AFEERN CC1(C)C=C[C@](C)(CC=O)CC1 238224974 573985536 /nfs/dbraw/zinc/98/55/36/573985536.db2.gz PDSLKFLTYAEPSW-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN CC/C=C1\C(=O)C[C@@H]2CCC[C@H]12 238225820 573985581 /nfs/dbraw/zinc/98/55/81/573985581.db2.gz IWCQXNSQMFYLRZ-ZABSJCBZSA-N 0 0 164.248 2.712 10 30 AFEERN CCC1CC(C#N)(c2ccncc2)C1 87618260 573990827 /nfs/dbraw/zinc/99/08/27/573990827.db2.gz PTPRVANITORDFE-UHFFFAOYSA-N 0 0 186.258 2.663 10 30 AFEERN CC1=CCC[C@@]2(C)C(=O)C=CC[C@@H]12 238233643 573990829 /nfs/dbraw/zinc/99/08/29/573990829.db2.gz MQBGGYVAWMUFDL-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=CC(=O)[C@@]1(C)CCC=C(C)C1 238233058 573990841 /nfs/dbraw/zinc/99/08/41/573990841.db2.gz OQDXIPROJNNZET-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN O=C[C@@H](F)c1c(F)cccc1Cl 104463742 573990908 /nfs/dbraw/zinc/99/09/08/573990908.db2.gz QOFZNDLTRKJDIJ-SSDOTTSWSA-N 0 0 190.576 2.689 10 30 AFEERN CC1=CCC[C@@]2(C)C(=O)C=CC[C@H]12 238233588 573990928 /nfs/dbraw/zinc/99/09/28/573990928.db2.gz MQBGGYVAWMUFDL-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CC1(C)CC(C#N)(c2ccncc2)C1 87618271 573990956 /nfs/dbraw/zinc/99/09/56/573990956.db2.gz KQBVIPQFMNCUTD-UHFFFAOYSA-N 0 0 186.258 2.663 10 30 AFEERN CC[C@@H](C)[C@H](C#N)c1ccncc1 87618267 573990974 /nfs/dbraw/zinc/99/09/74/573990974.db2.gz MMGCMIAJCPVOKL-KOLCDFICSA-N 0 0 174.247 2.735 10 30 AFEERN Cn1cc(C#N)c(C2CCCCC2)c1 104462955 573990977 /nfs/dbraw/zinc/99/09/77/573990977.db2.gz ZTPZUIAEYKPNJC-UHFFFAOYSA-N 0 0 188.274 2.944 10 30 AFEERN O=C[C@H](F)c1c(F)cccc1Cl 104463743 573991007 /nfs/dbraw/zinc/99/10/07/573991007.db2.gz QOFZNDLTRKJDIJ-ZETCQYMHSA-N 0 0 190.576 2.689 10 30 AFEERN CC1=CCC[C@H](C=O)C1(C)C 238232747 573991054 /nfs/dbraw/zinc/99/10/54/573991054.db2.gz UMTQFNOHSCQIQM-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN COc1c(C)cc([C@H]2O[C@H]2C)cc1C 259262419 573991124 /nfs/dbraw/zinc/99/11/24/573991124.db2.gz LIDLRZNRNYDYQL-CABZTGNLSA-N 0 0 192.258 2.772 10 30 AFEERN Cn1cc([C@@H]2C[C@H]2C#N)c2ccccc21 259261595 573991236 /nfs/dbraw/zinc/99/12/36/573991236.db2.gz UMUZGDKJUWQFFE-GXSJLCMTSA-N 0 0 196.253 2.805 10 30 AFEERN CCC[C@](C)(O)[C@@]1(C#N)CC[C@H](C)C1 87650009 573991248 /nfs/dbraw/zinc/99/12/48/573991248.db2.gz QOFRQAXZMHUGLT-SRVKXCTJSA-N 0 0 195.306 2.867 10 30 AFEERN CC1=CCC[C@]2(C)C=CC(=O)C[C@H]12 238233405 573991647 /nfs/dbraw/zinc/99/16/47/573991647.db2.gz JFFVATLCINTISS-VXGBXAGGSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=C2C(=O)CCCC[C@@]23C[C@H]3C1 238234042 573991316 /nfs/dbraw/zinc/99/13/16/573991316.db2.gz MGBJYAQRUKRTAO-SKDRFNHKSA-N 0 0 176.259 2.856 10 30 AFEERN CC1=CCC[C@@](C=O)(CCC#N)C1 238233217 573991393 /nfs/dbraw/zinc/99/13/93/573991393.db2.gz ZMWNYWGJNMVLJR-LLVKDONJSA-N 0 0 177.247 2.606 10 30 AFEERN CC1(C2=CC(=O)CC2)CCCC1 238233923 573991441 /nfs/dbraw/zinc/99/14/41/573991441.db2.gz MEMAYIQQXNLCAU-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN COc1ccc(C(C)(C)C#N)c(C)c1 104462513 573991478 /nfs/dbraw/zinc/99/14/78/573991478.db2.gz SWSKDCCIQCMTQZ-UHFFFAOYSA-N 0 0 189.258 2.805 10 30 AFEERN C=CC[C@@]1(C)CCC=C(C)C1=O 238233160 573991524 /nfs/dbraw/zinc/99/15/24/573991524.db2.gz LFQDKTIREATCAN-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CCC[C@](C)(O)C1(C#N)CCCC1 87650033 573991525 /nfs/dbraw/zinc/99/15/25/573991525.db2.gz CGTMAWHKIHZGQJ-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN N#C[C@H]1C[C@@H]1c1ccc2c(c1)CCCO2 259261474 573995944 /nfs/dbraw/zinc/99/59/44/573995944.db2.gz ULSSQZLQBZVMIX-VXGBXAGGSA-N 0 0 199.253 2.639 10 30 AFEERN CCC1=C(C(C)=O)[C@H]2[C@@H](C1)C2(C)C 238235088 573995968 /nfs/dbraw/zinc/99/59/68/573995968.db2.gz AXDQSYZSBZVRPT-MWLCHTKSSA-N 0 0 178.275 2.958 10 30 AFEERN C/C(=N\O)c1ccc(C(C)C)c(N)c1 238234970 573995442 /nfs/dbraw/zinc/99/54/42/573995442.db2.gz QXPBNOPSFUHPGK-MDWZMJQESA-N 0 0 192.262 2.590 10 30 AFEERN CC1=C2C(=O)CC[C@]23CCC[C@@H]3C1 238234107 573995449 /nfs/dbraw/zinc/99/54/49/573995449.db2.gz HFLRGEBAKHOQHD-SKDRFNHKSA-N 0 0 176.259 2.856 10 30 AFEERN C#CCC[C@H]([NH2+]C)c1ccc(CC)o1 127934255 573995506 /nfs/dbraw/zinc/99/55/06/573995506.db2.gz GUYVBNYINASYSB-NSHDSACASA-N 0 0 191.274 2.516 10 30 AFEERN CC1(C)C[C@@H]2C=CC(=O)C[C@H]2C1 238234253 573995590 /nfs/dbraw/zinc/99/55/90/573995590.db2.gz IAPHERGDAUTQJD-IUCAKERBSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=C[C@@H]2C3CCC(CC3)[C@H]2C1=O 238235341 573995626 /nfs/dbraw/zinc/99/56/26/573995626.db2.gz SRIASDQVSRWRIY-JPPWEJMLSA-N 0 0 176.259 2.568 10 30 AFEERN CCC1=C(C(C)=O)CC[C@@H]1C 238235020 573995723 /nfs/dbraw/zinc/99/57/23/573995723.db2.gz UQRCOSWXCQSIDN-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC/C=C1\CC[C@@H](CO)C1(C)C 238234868 573995749 /nfs/dbraw/zinc/99/57/49/573995749.db2.gz CEOCMBIEHMHDCC-RUYJGKKWSA-N 0 0 180.291 2.917 10 30 AFEERN C=C1[C@@H](C(=O)CC)[C@H]1C(C)(C)C 238235361 573995871 /nfs/dbraw/zinc/99/58/71/573995871.db2.gz ZLPZXMVOMRNEME-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN N#Cc1ccncc1-c1cccc(F)c1 47203951 574001109 /nfs/dbraw/zinc/00/11/09/574001109.db2.gz WUAUFKFZGBPZAP-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1c(Cl)ccc2ncccc12 306479365 574001186 /nfs/dbraw/zinc/00/11/86/574001186.db2.gz LXYUXDKFNBWQRV-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN C=C[C@]1(CCC)CCCC1=O 238237300 574001298 /nfs/dbraw/zinc/00/12/98/574001298.db2.gz KYRFDIBIROBSRA-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN CCC1=C(CC)[C@@H](C)CC1=O 238237428 574001500 /nfs/dbraw/zinc/00/15/00/574001500.db2.gz KKVZVVFEWYGGEC-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN CCC1=CC(=O)[C@@H](C)C[C@@H]1C 238239484 574005585 /nfs/dbraw/zinc/00/55/85/574005585.db2.gz SUUZPNFUEHEFAV-YUMQZZPRSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)c1cccc(-c2c[nH]nc2N)c1 258200785 574005632 /nfs/dbraw/zinc/00/56/32/574005632.db2.gz SMJXUFQEUVOHBZ-UHFFFAOYSA-N 0 0 199.257 2.692 10 30 AFEERN CCC1=CC(=O)[C@](C)(Cl)[C@H]1C 238239675 574005640 /nfs/dbraw/zinc/00/56/40/574005640.db2.gz CGLIKGBFSCSBKI-IMTBSYHQSA-N 0 0 172.655 2.539 10 30 AFEERN CCC1=CC(=O)[C@@H](C)C[C@H]1C 238239496 574005671 /nfs/dbraw/zinc/00/56/71/574005671.db2.gz SUUZPNFUEHEFAV-SFYZADRCSA-N 0 0 152.237 2.568 10 30 AFEERN [N-]=[N+]=Nc1nncc2ccccc12 87667240 574005703 /nfs/dbraw/zinc/00/57/03/574005703.db2.gz ZEGIGIOHYOEJRH-UHFFFAOYSA-N 0 0 171.163 2.572 10 30 AFEERN CC1=C(C)[C@@H]2CCCC[C@H]2C1=O 238245551 574005748 /nfs/dbraw/zinc/00/57/48/574005748.db2.gz BWYXHNWESJOXOD-VHSXEESVSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C(C)[C@H]2CCCC[C@@H]2C1=O 238245744 574005852 /nfs/dbraw/zinc/00/58/52/574005852.db2.gz BWYXHNWESJOXOD-ZJUUUORDSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@H]1C=CCCC1 111349856 574007981 /nfs/dbraw/zinc/00/79/81/574007981.db2.gz YYTUUFMWKBIPEY-QMMMGPOBSA-N 0 0 108.184 2.529 10 30 AFEERN CCC1=CC(=O)[C@@H](C(C)C)CC1 238239463 574008049 /nfs/dbraw/zinc/00/80/49/574008049.db2.gz UTXFFDXRILQPPA-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC=O)C1CCCCC1 258204028 574008108 /nfs/dbraw/zinc/00/81/08/574008108.db2.gz NPIBXSPFNLXBKH-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC1=C(C)[C@@H]2CCCC[C@@H]2C1=O 238245750 574007610 /nfs/dbraw/zinc/00/76/10/574007610.db2.gz BWYXHNWESJOXOD-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1nc2ccccc2nc1N=[N+]=[N-] 87667416 574007659 /nfs/dbraw/zinc/00/76/59/574007659.db2.gz PCJBUMZAMJEONA-UHFFFAOYSA-N 0 0 185.190 2.880 10 30 AFEERN CC1=CC[C@](C=O)(CCC#N)CC1 238240255 574007747 /nfs/dbraw/zinc/00/77/47/574007747.db2.gz RFQMRZBPRFXOGR-LLVKDONJSA-N 0 0 177.247 2.606 10 30 AFEERN CCC1=CC(=O)[C@H](C(C)C)CC1 238239588 574007832 /nfs/dbraw/zinc/00/78/32/574007832.db2.gz UTXFFDXRILQPPA-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN CCC1=CC(=O)C[C@H](C)[C@@H]1C 238239313 574007842 /nfs/dbraw/zinc/00/78/42/574007842.db2.gz OHGRACKWDCXSGX-YUMQZZPRSA-N 0 0 152.237 2.568 10 30 AFEERN CCC1=CC(=O)[C@@](C)(Cl)[C@@H]1C 238239547 574007869 /nfs/dbraw/zinc/00/78/69/574007869.db2.gz CGLIKGBFSCSBKI-MUWHJKNJSA-N 0 0 172.655 2.539 10 30 AFEERN CC=C=C(C(C)=O)[Si](C)(C)C 238240252 574007875 /nfs/dbraw/zinc/00/78/75/574007875.db2.gz DRQOVMNAKOEILC-UHFFFAOYSA-N 0 0 168.312 2.554 10 30 AFEERN CC1=CC[C@]2(C=O)CCCC[C@H]12 238245378 574007901 /nfs/dbraw/zinc/00/79/01/574007901.db2.gz JLYLYONZRPXFLT-MNOVXSKESA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cc2c(N=[N+]=[N-])ncnc2s1 87667495 574007921 /nfs/dbraw/zinc/00/79/21/574007921.db2.gz PWBIYECZVBVEMA-UHFFFAOYSA-N 0 0 191.219 2.942 10 30 AFEERN CC(C)c1cc(N=[N+]=[N-])ncn1 87667489 574008657 /nfs/dbraw/zinc/00/86/57/574008657.db2.gz MYBUWCMPLBHDOL-UHFFFAOYSA-N 0 0 163.184 2.542 10 30 AFEERN C=C[C@@H]1C=C(C)CC[C@@]1(C)C=O 238247393 574008731 /nfs/dbraw/zinc/00/87/31/574008731.db2.gz GLJVPDBWLBJLJB-MNOVXSKESA-N 0 0 164.248 2.734 10 30 AFEERN C=C(CCO)c1ccc(Cl)s1 258204056 574008212 /nfs/dbraw/zinc/00/82/12/574008212.db2.gz NPMZMLSFALZXNL-UHFFFAOYSA-N 0 0 188.679 2.797 10 30 AFEERN [N-]=[N+]=Nc1ncccc1Br 87667353 574008239 /nfs/dbraw/zinc/00/82/39/574008239.db2.gz GHYSNRLIFGOMDZ-UHFFFAOYSA-N 0 0 199.011 2.786 10 30 AFEERN [N-]=[N+]=Nc1ncc(Cl)cc1F 87667472 574008326 /nfs/dbraw/zinc/00/83/26/574008326.db2.gz PGWVUVINAXGIKF-UHFFFAOYSA-N 0 0 172.550 2.816 10 30 AFEERN [N-]=[N+]=Nc1ncnc2sccc12 87667447 574008341 /nfs/dbraw/zinc/00/83/41/574008341.db2.gz UFBPCZNVXZPEJW-UHFFFAOYSA-N 0 0 177.192 2.633 10 30 AFEERN C=CC(C)(C)C(C)C 111344700 574008460 /nfs/dbraw/zinc/00/84/60/574008460.db2.gz LLFHCOGPDCJMKY-UHFFFAOYSA-N 0 0 112.216 2.855 10 30 AFEERN CC1=C[C@@]2(C)C(C)=C(C)C(=O)[C@]12C 238247545 574008573 /nfs/dbraw/zinc/00/85/73/574008573.db2.gz ZMENBGZTFAGMON-RYUDHWBXSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=C[C@]2(C)C(C)=C(C)C(=O)[C@]12C 238247255 574008587 /nfs/dbraw/zinc/00/85/87/574008587.db2.gz ZMENBGZTFAGMON-NEPJUHHUSA-N 0 0 176.259 2.878 10 30 AFEERN [N-]=[N+]=Nc1ccncc1Cl 87667473 574008624 /nfs/dbraw/zinc/00/86/24/574008624.db2.gz GZMRPWPIRQYSCH-UHFFFAOYSA-N 0 0 154.560 2.677 10 30 AFEERN C=C[C@@H]([NH3+])c1ccc(C)cc1Cl 104505821 574018526 /nfs/dbraw/zinc/01/85/26/574018526.db2.gz BKYSYGNWNNGOJU-SNVBAGLBSA-N 0 0 181.666 2.834 10 30 AFEERN C[C@H](O)C1(C#N)CCCCCCC1 87690359 574018541 /nfs/dbraw/zinc/01/85/41/574018541.db2.gz ODCXMDPTVALGFS-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN C=C[C@@H]([NH3+])c1ccccc1C(C)C 104507234 574020452 /nfs/dbraw/zinc/02/04/52/574020452.db2.gz IWLZJWJOOZAJAT-GFCCVEGCSA-N 0 0 175.275 2.996 10 30 AFEERN C[C@@]1(CCC=O)CCCCCC1=O 223754050 574024036 /nfs/dbraw/zinc/02/40/36/574024036.db2.gz JIBMWPLFINFEAQ-NSHDSACASA-N 0 0 182.263 2.505 10 30 AFEERN CC[C@H](C#N)c1ccc2c(c1)CCN2 259278810 574024115 /nfs/dbraw/zinc/02/41/15/574024115.db2.gz STKALHFISXIOHR-SECBINFHSA-N 0 0 186.258 2.672 10 30 AFEERN N#Cc1c(F)sc2cccc(O)c12 306959479 574032577 /nfs/dbraw/zinc/03/25/77/574032577.db2.gz XRXJIKWFWBGFLI-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN Cc1cc(C#N)cc2c1SC(=O)C2 306959296 574032667 /nfs/dbraw/zinc/03/26/67/574032667.db2.gz XJHPWYQAMULPHF-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN Cc1c(C#N)c(O)cc2sccc12 306960418 574032683 /nfs/dbraw/zinc/03/26/83/574032683.db2.gz ZBOYLVGOAVLPBU-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN SCSC1CCCC1 259287533 574032721 /nfs/dbraw/zinc/03/27/21/574032721.db2.gz SJQAVLSORMRNTL-UHFFFAOYSA-N 0 0 148.296 2.550 10 30 AFEERN N#Cc1cc(F)cc(NC2CCC2)c1 227616041 574032741 /nfs/dbraw/zinc/03/27/41/574032741.db2.gz OPHUHLCSCSVSTQ-UHFFFAOYSA-N 0 0 190.221 2.662 10 30 AFEERN C=C[C@H]1CCCC2=CC(=O)CC[C@H]21 143814123 574033066 /nfs/dbraw/zinc/03/30/66/574033066.db2.gz BQAFEGIZKJCEJG-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCC(=O)C[C@H](C)CCC 128183004 574033160 /nfs/dbraw/zinc/03/31/60/574033160.db2.gz GCPJDIQZFDSGJR-SECBINFHSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(F)[C@@](C)(F)[C@@H](O)c1ccccc1 143887074 574033187 /nfs/dbraw/zinc/03/31/87/574033187.db2.gz OVUBZDSPLKQOOZ-WDEREUQCSA-N 0 0 198.212 2.931 10 30 AFEERN CCc1ccc([C@@H](O)CCS)cc1 259286903 574033229 /nfs/dbraw/zinc/03/32/29/574033229.db2.gz VYRPATLBLJBBLG-NSHDSACASA-N 0 0 196.315 2.602 10 30 AFEERN C/C=C/CNc1cc(F)cc(C#N)c1 306958005 574033262 /nfs/dbraw/zinc/03/32/62/574033262.db2.gz UVWPMCRKLKZORH-NSCUHMNNSA-N 0 0 190.221 2.685 10 30 AFEERN C=C[C@@H]1CCCC2=CC(=O)CC[C@H]21 143813934 574033363 /nfs/dbraw/zinc/03/33/63/574033363.db2.gz BQAFEGIZKJCEJG-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN CCc1ccc([C@H](O)CCS)cc1 259286897 574033480 /nfs/dbraw/zinc/03/34/80/574033480.db2.gz VYRPATLBLJBBLG-LLVKDONJSA-N 0 0 196.315 2.602 10 30 AFEERN Cc1cc2c(cc1C#N)SC(=O)C2 306951720 574033728 /nfs/dbraw/zinc/03/37/28/574033728.db2.gz LVCYFWMUEOPCNE-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=C[C@H]1CCCC2=CC(=O)CC[C@@H]21 143814537 574033763 /nfs/dbraw/zinc/03/37/63/574033763.db2.gz BQAFEGIZKJCEJG-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN CC1(C)C[C@@H]1Nc1cccc(C#N)c1 227614783 574033782 /nfs/dbraw/zinc/03/37/82/574033782.db2.gz CQKZIDPBJQJWEN-NSHDSACASA-N 0 0 186.258 2.769 10 30 AFEERN C=C[C@]1(C)CCCC(=C)[C@H]1CCO 143786387 574033879 /nfs/dbraw/zinc/03/38/79/574033879.db2.gz NCIGQFQWESYTLM-VXGBXAGGSA-N 0 0 180.291 2.917 10 30 AFEERN Cc1cc2scc(C#N)c2cc1O 306956816 574033938 /nfs/dbraw/zinc/03/39/38/574033938.db2.gz SCJPJDRHKDXDOT-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN Cc1cc(O)cc2cc(C#N)sc12 306958413 574034549 /nfs/dbraw/zinc/03/45/49/574034549.db2.gz VNNZXZSLVAWTCF-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=CCNc1c(C)cccc1[N+](=O)[O-] 112208818 574034675 /nfs/dbraw/zinc/03/46/75/574034675.db2.gz DTMNDYUSSZHIRK-UHFFFAOYSA-N 0 0 192.218 2.501 10 30 AFEERN C[C@@H]1CCCCC[C@H]1C#N 23699271 574039205 /nfs/dbraw/zinc/03/92/05/574039205.db2.gz HGFSTCATUZBWSJ-BDAKNGLRSA-N 0 0 137.226 2.726 10 30 AFEERN C[C@@H](/C(Cl)=N/O)c1ccccc1 197929028 574039594 /nfs/dbraw/zinc/03/95/94/574039594.db2.gz WKRUOJKGTYQELS-BRSPZTEKSA-N 0 0 183.638 2.817 10 30 AFEERN N#Cc1cc2c(C3CC3)ccnc2o1 259293212 574039656 /nfs/dbraw/zinc/03/96/56/574039656.db2.gz HYRJHCJENLDFTK-UHFFFAOYSA-N 0 0 184.198 2.577 10 30 AFEERN Cc1ccc2c(C#N)csc2c1C#N 306988284 574039794 /nfs/dbraw/zinc/03/97/94/574039794.db2.gz REASMYXGRYEWPG-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C=CC[C@@H](O)c1cc(C)ccc1OC 128234122 574039805 /nfs/dbraw/zinc/03/98/05/574039805.db2.gz HDDMBNXLNXLNOF-LLVKDONJSA-N 0 0 192.258 2.613 10 30 AFEERN CCCC[C@H](CC)[C@@H]1CO1 112999419 574044317 /nfs/dbraw/zinc/04/43/17/574044317.db2.gz YGUOVUSZFVZYFT-IUCAKERBSA-N 0 0 142.242 2.602 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CC=CCC1 112964944 574044331 /nfs/dbraw/zinc/04/43/31/574044331.db2.gz AFFSBOQPNBZNOQ-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN CC[C@@H](c1ccccc1)[C@H]1CO1 113000245 574044361 /nfs/dbraw/zinc/04/43/61/574044361.db2.gz ZWNZPDFVCSNMQA-WDEREUQCSA-N 0 0 162.232 2.579 10 30 AFEERN CC[C@@H](c1ccccc1)[C@@H]1CO1 113000242 574044366 /nfs/dbraw/zinc/04/43/66/574044366.db2.gz ZWNZPDFVCSNMQA-QWRGUYRKSA-N 0 0 162.232 2.579 10 30 AFEERN CCC(CC)CC[C@H]1CO1 112999723 574044382 /nfs/dbraw/zinc/04/43/82/574044382.db2.gz RTSNJGLCKVKTQL-VIFPVBQESA-N 0 0 142.242 2.602 10 30 AFEERN CC(C)=CC(=O)[C@H]1CC=CCC1 112964942 574044385 /nfs/dbraw/zinc/04/43/85/574044385.db2.gz AFFSBOQPNBZNOQ-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN CCCC[C@H](CC)[C@H]1CO1 112999422 574044397 /nfs/dbraw/zinc/04/43/97/574044397.db2.gz YGUOVUSZFVZYFT-DTWKUNHWSA-N 0 0 142.242 2.602 10 30 AFEERN CCC(CC)CC[C@@H]1CO1 112999721 574045114 /nfs/dbraw/zinc/04/51/14/574045114.db2.gz RTSNJGLCKVKTQL-SECBINFHSA-N 0 0 142.242 2.602 10 30 AFEERN CC[C@H](c1ccccc1)[C@@H]1CO1 113000241 574044592 /nfs/dbraw/zinc/04/45/92/574044592.db2.gz ZWNZPDFVCSNMQA-MNOVXSKESA-N 0 0 162.232 2.579 10 30 AFEERN Cc1ccc2sc(C#N)cc2c1N 259477465 574044640 /nfs/dbraw/zinc/04/46/40/574044640.db2.gz QVTUUAHFBWYHPG-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CCCC[C@@H](CC)[C@H]1CO1 112999421 574044650 /nfs/dbraw/zinc/04/46/50/574044650.db2.gz YGUOVUSZFVZYFT-RKDXNWHRSA-N 0 0 142.242 2.602 10 30 AFEERN CC[C@H](c1ccccc1)[C@H]1CO1 113000243 574044871 /nfs/dbraw/zinc/04/48/71/574044871.db2.gz ZWNZPDFVCSNMQA-GHMZBOCLSA-N 0 0 162.232 2.579 10 30 AFEERN CCCC[C@@H](CC)[C@@H]1CO1 112999417 574044913 /nfs/dbraw/zinc/04/49/13/574044913.db2.gz YGUOVUSZFVZYFT-BDAKNGLRSA-N 0 0 142.242 2.602 10 30 AFEERN O=CC1CC2(CCCCC2)C1 258526089 574048456 /nfs/dbraw/zinc/04/84/56/574048456.db2.gz MUDOKPRPXQMKPC-UHFFFAOYSA-N 0 0 152.237 2.546 10 30 AFEERN Cc1cc(Cl)ccc1CCC=O 71499249 518187308 /nfs/dbraw/zinc/18/73/08/518187308.db2.gz QJQXOSFGBACQBV-UHFFFAOYSA-N 0 0 182.650 2.780 10 30 AFEERN C=C(C)C(=O)Nc1c(C)cccc1C 1649075 518587403 /nfs/dbraw/zinc/58/74/03/518587403.db2.gz WPXNHSRXGYBXNL-UHFFFAOYSA-N 0 0 189.258 2.818 10 30 AFEERN C=C(CC1CCCC1)OC 219772815 518648579 /nfs/dbraw/zinc/64/85/79/518648579.db2.gz UUBKWWMGBGQQBF-UHFFFAOYSA-N 0 0 140.226 2.727 10 30 AFEERN C=C[C@@H]1CCC=NN1c1ccccc1 5382863 519296343 /nfs/dbraw/zinc/29/63/43/519296343.db2.gz SAMKFINJANBGHR-LLVKDONJSA-N 0 0 186.258 2.827 10 30 AFEERN C=C[C@H]1CCC=NN1c1ccccc1 5382880 519300057 /nfs/dbraw/zinc/30/00/57/519300057.db2.gz SAMKFINJANBGHR-NSHDSACASA-N 0 0 186.258 2.827 10 30 AFEERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C=O 31350574 519803172 /nfs/dbraw/zinc/80/31/72/519803172.db2.gz AUABNXZOGNPUSY-MXWKQRLJSA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C=O 31350577 519825704 /nfs/dbraw/zinc/82/57/04/519825704.db2.gz AUABNXZOGNPUSY-GMTAPVOTSA-N 0 0 168.280 2.894 10 30 AFEERN CON=C1CCC(C)(C)CC1 306940878 629684905 /nfs/dbraw/zinc/68/49/05/629684905.db2.gz COZKGIRGHBNCGP-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C=C(C)c1ncccc1CC 221069864 629691369 /nfs/dbraw/zinc/69/13/69/629691369.db2.gz KHRJRTSHVRMNHT-UHFFFAOYSA-N 0 0 147.221 2.677 10 30 AFEERN C#CCCCSCC1CC1 306395964 629696652 /nfs/dbraw/zinc/69/66/52/629696652.db2.gz HMCXQXRHMNYTEA-UHFFFAOYSA-N 0 0 154.278 2.543 10 30 AFEERN C1CC2(C1)CC(=NOCC1CC1)C2 306976898 629712037 /nfs/dbraw/zinc/71/20/37/629712037.db2.gz CKWLFSHQNQOPSA-UHFFFAOYSA-N 0 0 179.263 2.733 10 30 AFEERN CC1=C[C@H](C)C[C@H](CS)C1 757159279 629716797 /nfs/dbraw/zinc/71/67/97/629716797.db2.gz BDPFNJPXKODWLG-CBAPKCEASA-N 0 0 156.294 2.909 10 30 AFEERN COc1ccccc1C1CC(S)C1 757159686 629717166 /nfs/dbraw/zinc/71/71/66/629717166.db2.gz SWHCRQOWELUWBK-UHFFFAOYSA-N 0 0 194.299 2.871 10 30 AFEERN CC(=O)Nc1cccc([C@H](C)S)c1 757159642 629719175 /nfs/dbraw/zinc/71/91/75/629719175.db2.gz GADVLTMAUBWVEF-ZETCQYMHSA-N 0 0 195.287 2.636 10 30 AFEERN SCc1c[nH]nc1-c1ccccc1 757160165 629719725 /nfs/dbraw/zinc/71/97/25/629719725.db2.gz KOLNFCRQBKVPRK-UHFFFAOYSA-N 0 0 190.271 2.507 10 30 AFEERN CCn1c(C)cc(CS)c1C 757159458 629719906 /nfs/dbraw/zinc/71/99/06/629719906.db2.gz KWURXXBFIGNFLC-UHFFFAOYSA-N 0 0 169.293 2.555 10 30 AFEERN CC1(C)Oc2ccccc2[C@H]1S 757159452 629719969 /nfs/dbraw/zinc/71/99/69/629719969.db2.gz BPEYHMVDUSMLMY-SECBINFHSA-N 0 0 180.272 2.829 10 30 AFEERN SCc1sccc1Cl 757159710 629720393 /nfs/dbraw/zinc/72/03/93/629720393.db2.gz GYALEVAEVSDTSG-UHFFFAOYSA-N 0 0 164.682 2.831 10 30 AFEERN CC1(C)Oc2ccccc2[C@@H]1S 757159456 629720445 /nfs/dbraw/zinc/72/04/45/629720445.db2.gz BPEYHMVDUSMLMY-VIFPVBQESA-N 0 0 180.272 2.829 10 30 AFEERN CC(=O)Nc1cccc([C@@H](C)S)c1 757159631 629720825 /nfs/dbraw/zinc/72/08/25/629720825.db2.gz GADVLTMAUBWVEF-SSDOTTSWSA-N 0 0 195.287 2.636 10 30 AFEERN Cc1cc(C)c(CS)s1 757159725 629721204 /nfs/dbraw/zinc/72/12/04/629721204.db2.gz HFKHAPPZNKLJQE-UHFFFAOYSA-N 0 0 158.291 2.795 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)[C@@H]1C[C@H]1CC 860930409 629723299 /nfs/dbraw/zinc/72/32/99/629723299.db2.gz VDBAVTBBCXSFMG-GMTAPVOTSA-N 0 0 194.274 2.706 10 30 AFEERN C=CC[C@H](C=C)OC(=O)[C@@H]1C[C@H]1CC 860930410 629723641 /nfs/dbraw/zinc/72/36/41/629723641.db2.gz VDBAVTBBCXSFMG-OUAUKWLOSA-N 0 0 194.274 2.706 10 30 AFEERN CCC(CC)=NOC1CCC1 307559111 629777696 /nfs/dbraw/zinc/77/76/96/629777696.db2.gz FMADYECEGQBTCS-UHFFFAOYSA-N 0 0 155.241 2.732 10 30 AFEERN C=CCCSCCSC 307739023 629811554 /nfs/dbraw/zinc/81/15/54/629811554.db2.gz XXZQMLNJHXDQPT-UHFFFAOYSA-N 0 0 162.323 2.659 10 30 AFEERN C=CC(C)(C)CC(=O)NC(C)(C)C=C 891262474 629812326 /nfs/dbraw/zinc/81/23/26/629812326.db2.gz SBCSRUZVSLUGEX-UHFFFAOYSA-N 0 0 195.306 2.670 10 30 AFEERN C=C[C@@H](CC)CC(=O)NC(C)(C)C=C 891264758 629812557 /nfs/dbraw/zinc/81/25/57/629812557.db2.gz VTEPQJBJTJDEBG-JTQLQIEISA-N 0 0 195.306 2.670 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H](CC)CCC 891261168 629812643 /nfs/dbraw/zinc/81/26/43/629812643.db2.gz BCQKDHTURZRDCL-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H](C)C1CCC1 891266002 629812708 /nfs/dbraw/zinc/81/27/08/629812708.db2.gz AFPOJJBUQQWJFH-SECBINFHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)CCCC1CC1 891267034 629812830 /nfs/dbraw/zinc/81/28/30/629812830.db2.gz ZVXFBUOFBPFDET-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=CC(C)(C)NC(=O)CCCC(C)C 891266330 629813196 /nfs/dbraw/zinc/81/31/96/629813196.db2.gz LGLOOFSHBLTLNI-UHFFFAOYSA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H](CC)CCC 891261163 629813383 /nfs/dbraw/zinc/81/33/83/629813383.db2.gz BCQKDHTURZRDCL-JTQLQIEISA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H](C)C1CCC1 891266003 629813399 /nfs/dbraw/zinc/81/33/99/629813399.db2.gz AFPOJJBUQQWJFH-VIFPVBQESA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@H](CC)CC(=O)NC(C)(C)C=C 891264759 629813518 /nfs/dbraw/zinc/81/35/18/629813518.db2.gz VTEPQJBJTJDEBG-SNVBAGLBSA-N 0 0 195.306 2.670 10 30 AFEERN C=CC(C)(C)NC(=O)C(C)=C1CCC1 891266424 629814314 /nfs/dbraw/zinc/81/43/14/629814314.db2.gz NLLZJFMOSPLXOE-UHFFFAOYSA-N 0 0 193.290 2.568 10 30 AFEERN C=CC(C)(C)NC(=O)CCC(C)C 891274466 629817425 /nfs/dbraw/zinc/81/74/25/629817425.db2.gz ZCFZYDWOFRZUSR-UHFFFAOYSA-N 0 0 183.295 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)C(CC)CC 891272492 629817599 /nfs/dbraw/zinc/81/75/99/629817599.db2.gz KQMRBSMKDQEBOE-UHFFFAOYSA-N 0 0 183.295 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)C=C1CCCC1 891272701 629818018 /nfs/dbraw/zinc/81/80/18/629818018.db2.gz UGYVZUNFPFRWTK-UHFFFAOYSA-N 0 0 193.290 2.568 10 30 AFEERN CCON=C1CCC(C)(C)C1 307858770 629819664 /nfs/dbraw/zinc/81/96/64/629819664.db2.gz DXWQHEQZWQFFEC-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN CCOc1ccc(Cl)cc1C=NO 250521518 629820303 /nfs/dbraw/zinc/82/03/03/629820303.db2.gz SZQSNXQHMPOTLI-UHFFFAOYSA-N 0 0 199.637 2.547 10 30 AFEERN CC[C@@H]1CCCC(=NOC)C1 307894075 629821746 /nfs/dbraw/zinc/82/17/46/629821746.db2.gz HDEXPIFOAOUIQG-MRVPVSSYSA-N 0 0 155.241 2.589 10 30 AFEERN CC[C@H]1CCCC(=NOC)C1 307894076 629822200 /nfs/dbraw/zinc/82/22/00/629822200.db2.gz HDEXPIFOAOUIQG-QMMMGPOBSA-N 0 0 155.241 2.589 10 30 AFEERN CON=C1CCCCC1(C)C 307919617 629822367 /nfs/dbraw/zinc/82/23/67/629822367.db2.gz HEMYBNKVEGURPK-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C#CCCCCCOC(=O)C=C(C)C 779454069 629831917 /nfs/dbraw/zinc/83/19/17/629831917.db2.gz ARFIXYZRPGBUSU-UHFFFAOYSA-N 0 0 194.274 2.689 10 30 AFEERN C=CCCC(=O)O[C@H](C)C(C)C 308055892 629832148 /nfs/dbraw/zinc/83/21/48/629832148.db2.gz UODKYXRSXLSZRA-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN C=CCCC(=O)O[C@@H](C)C(C)C 308055893 629832413 /nfs/dbraw/zinc/83/24/13/629832413.db2.gz UODKYXRSXLSZRA-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN C=CCC[C@H](C)OC(=O)C(C)C 308053651 629833543 /nfs/dbraw/zinc/83/35/43/629833543.db2.gz SZSBISBNAODWDU-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN C=CCC[C@@H](C)OC(=O)C(C)C 308053643 629834057 /nfs/dbraw/zinc/83/40/57/629834057.db2.gz SZSBISBNAODWDU-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)COC(=O)[C@H](C)CC(=C)C 308133040 629835002 /nfs/dbraw/zinc/83/50/02/629835002.db2.gz CFFPTFDJTFTPDA-SNVBAGLBSA-N 0 0 182.263 2.708 10 30 AFEERN C=CCCCCOC(=O)CC(C)C 308136149 629835099 /nfs/dbraw/zinc/83/50/99/629835099.db2.gz FMZMAJCQLNNRBP-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C=CCCOC(=O)C(C)(C)C(C)C 308137751 629835167 /nfs/dbraw/zinc/83/51/67/629835167.db2.gz GMGTUOGUXZXACX-UHFFFAOYSA-N 0 0 184.279 2.788 10 30 AFEERN C=CCCC[C@@H](C)OC(=O)C(C)C 308137769 629835240 /nfs/dbraw/zinc/83/52/40/629835240.db2.gz GMLZCYOYGDTUCY-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)/C(=C\C)CC 308136555 629835493 /nfs/dbraw/zinc/83/54/93/629835493.db2.gz ADFNAHOCAUJORG-LKJZUNMESA-N 0 0 182.263 2.851 10 30 AFEERN C=CCC[C@H](C)OC(=O)CC(C)C 308136944 629835646 /nfs/dbraw/zinc/83/56/46/629835646.db2.gz FVLVHBQZDWQVNJ-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OCC1CC1 308130769 629836004 /nfs/dbraw/zinc/83/60/04/629836004.db2.gz ASWVVNJIDPXWJJ-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OCC1CC1 308130770 629835949 /nfs/dbraw/zinc/83/59/49/629835949.db2.gz ASWVVNJIDPXWJJ-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=CC[C@H](C)C(C)=NOCC(F)F 308132377 629836209 /nfs/dbraw/zinc/83/62/09/629836209.db2.gz BTKMGAOHCKLPCY-ZETCQYMHSA-N 0 0 191.221 2.856 10 30 AFEERN C=CCCCCOC(=O)C1(C)CC1 308136518 629836588 /nfs/dbraw/zinc/83/65/88/629836588.db2.gz ABCIOJDOZDGOHK-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CC1(C=NOC/C=C/Cl)CCC1 308064324 629836697 /nfs/dbraw/zinc/83/66/97/629836697.db2.gz XVWAOYRRQQBHHO-ULGALBEWSA-N 0 0 187.670 2.932 10 30 AFEERN CC1(C=NOC/C=C\Cl)CCC1 308064323 629836758 /nfs/dbraw/zinc/83/67/58/629836758.db2.gz XVWAOYRRQQBHHO-MVCZCJKUSA-N 0 0 187.670 2.932 10 30 AFEERN C=CCCCC(=O)OCC=C(C)C 308138234 629836787 /nfs/dbraw/zinc/83/67/87/629836787.db2.gz ADXBJALNJXTBCD-UHFFFAOYSA-N 0 0 182.263 2.852 10 30 AFEERN C=CCC[C@@H](C)OC(=O)CC(C)C 308136945 629836797 /nfs/dbraw/zinc/83/67/97/629836797.db2.gz FVLVHBQZDWQVNJ-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=CCCCC(=O)OCC(C)(C)C 308157644 629839762 /nfs/dbraw/zinc/83/97/62/629839762.db2.gz SHGXTJSXSIKKDL-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN CON=C(C)C1CCC(F)(F)CC1 308145797 629840860 /nfs/dbraw/zinc/84/08/60/629840860.db2.gz ABGMCLJHTXQMTA-UHFFFAOYSA-N 0 0 191.221 2.834 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H](C)C(C)(C)C 308224054 629847119 /nfs/dbraw/zinc/84/71/19/629847119.db2.gz DDYPNSIAHGNTHI-BDAKNGLRSA-N 0 0 184.279 2.786 10 30 AFEERN CC(C)CC=NOCCC(F)(F)F 308231085 629847139 /nfs/dbraw/zinc/84/71/39/629847139.db2.gz GQESKBUSSNVRQF-UHFFFAOYSA-N 0 0 197.200 2.987 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@H]1C[C@H]1C 308230975 629847387 /nfs/dbraw/zinc/84/73/87/629847387.db2.gz GNBMNPRFPPPZCX-UTLUCORTSA-N 0 0 182.263 2.540 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1C 308230972 629847457 /nfs/dbraw/zinc/84/74/57/629847457.db2.gz GNBMNPRFPPPZCX-KXUCPTDWSA-N 0 0 182.263 2.540 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@H]1C[C@@H]1C 308230970 629847818 /nfs/dbraw/zinc/84/78/18/629847818.db2.gz GNBMNPRFPPPZCX-GUBZILKMSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)CCSc1nccn1CC 308221792 629848074 /nfs/dbraw/zinc/84/80/74/629848074.db2.gz CTHCLLZPPJQRLV-UHFFFAOYSA-N 0 0 196.319 2.961 10 30 AFEERN C=CCCCC(=O)O[C@H](C)C(F)F 308219928 629848153 /nfs/dbraw/zinc/84/81/53/629848153.db2.gz BRIDWYFQAWRSTA-SSDOTTSWSA-N 0 0 192.205 2.540 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@@H]1C[C@@H]1C 308230974 629848523 /nfs/dbraw/zinc/84/85/23/629848523.db2.gz GNBMNPRFPPPZCX-LPEHRKFASA-N 0 0 182.263 2.540 10 30 AFEERN CC(CC1CC1)=NOCC(F)(F)F 308325058 629849050 /nfs/dbraw/zinc/84/90/50/629849050.db2.gz FBUDJUXOEIHZAW-UHFFFAOYSA-N 0 0 195.184 2.741 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C(=C/C)CC 308244852 629849593 /nfs/dbraw/zinc/84/95/93/629849593.db2.gz UUXUULUHKSRGHZ-CYNRKNSPSA-N 0 0 182.263 2.851 10 30 AFEERN C=C[C@@H](C)OC(=O)C1CC(C)(C)C1 308254584 629850575 /nfs/dbraw/zinc/85/05/75/629850575.db2.gz JUBAUFZOWYBHKN-MRVPVSSYSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@](C)(CC)C(=O)OCC(=C)C 308251694 629850707 /nfs/dbraw/zinc/85/07/07/629850707.db2.gz BMACTVKVFLWZKJ-LLVKDONJSA-N 0 0 182.263 2.708 10 30 AFEERN C=C[C@H](CC)OC(=O)/C(=C/C)CC 308244854 629850759 /nfs/dbraw/zinc/85/07/59/629850759.db2.gz UUXUULUHKSRGHZ-NAZIUFLLSA-N 0 0 182.263 2.851 10 30 AFEERN C=CCCCOC(=O)CCCC=C 308251626 629850959 /nfs/dbraw/zinc/85/09/59/629850959.db2.gz FWYYYHDKRZMXRE-UHFFFAOYSA-N 0 0 182.263 2.852 10 30 AFEERN C=C[C@H](C)OC(=O)/C=C/C(C)(C)C 308271809 629851039 /nfs/dbraw/zinc/85/10/39/629851039.db2.gz SHUHCMAETDDRAQ-FLOXNTQESA-N 0 0 182.263 2.706 10 30 AFEERN C=C[C@H](CC)OC(=O)/C(=C\C)CC 308244853 629851095 /nfs/dbraw/zinc/85/10/95/629851095.db2.gz UUXUULUHKSRGHZ-HYHWUIIZSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)CCOC(=O)C=C1CCC1 308326635 629851141 /nfs/dbraw/zinc/85/11/41/629851141.db2.gz GSFMYALRYGGDDS-UHFFFAOYSA-N 0 0 180.247 2.606 10 30 AFEERN C=CCCOC(=O)c1sccc1C 308354659 629853407 /nfs/dbraw/zinc/85/34/07/629853407.db2.gz AKTLLMMOKJKLAA-UHFFFAOYSA-N 0 0 196.271 2.789 10 30 AFEERN CCC(=NOCC(F)(F)F)C(C)C 308292689 629856620 /nfs/dbraw/zinc/85/66/20/629856620.db2.gz IEAQWVYJYINEIP-UHFFFAOYSA-N 0 0 197.200 2.987 10 30 AFEERN C=C(C)CNN=C1CCC[C@H](C)C1 308316799 629857458 /nfs/dbraw/zinc/85/74/58/629857458.db2.gz WAIPZBBIUHIHFW-JTQLQIEISA-N 0 0 180.295 2.718 10 30 AFEERN C=C(C)CNN=C1CCC[C@@H](C)C1 308316800 629857731 /nfs/dbraw/zinc/85/77/31/629857731.db2.gz WAIPZBBIUHIHFW-SNVBAGLBSA-N 0 0 180.295 2.718 10 30 AFEERN CON=C(C)c1cccc(C)c1C 308323698 629859052 /nfs/dbraw/zinc/85/90/52/629859052.db2.gz DCFUHKBQOAYVHS-UHFFFAOYSA-N 0 0 177.247 2.674 10 30 AFEERN C=C[C@@H](C)OC(=O)C1CCCCC1 308340302 629859577 /nfs/dbraw/zinc/85/95/77/629859577.db2.gz QPKDUUBZXMCVQF-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCC(=O)OCCC(C)(F)F 308346679 629859585 /nfs/dbraw/zinc/85/95/85/629859585.db2.gz VVLMDXDLLJKXIY-UHFFFAOYSA-N 0 0 192.205 2.541 10 30 AFEERN C=C(C)CNN=C1CCCC1(C)C 308344745 629860335 /nfs/dbraw/zinc/86/03/35/629860335.db2.gz UJTZTORMAOGXCV-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN C=C[C@H](C)OC(=O)C1CCCCC1 308340304 629860410 /nfs/dbraw/zinc/86/04/10/629860410.db2.gz QPKDUUBZXMCVQF-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C[C@H]1CC[C@@H](C=NOCC2CC2)C1 308395210 629861248 /nfs/dbraw/zinc/86/12/48/629861248.db2.gz CXUXWKQGCUOROC-GXSJLCMTSA-N 0 0 181.279 2.835 10 30 AFEERN CCCNN=C1CCC[C@H]1CCC 308383897 629861394 /nfs/dbraw/zinc/86/13/94/629861394.db2.gz VYQPRISJSKTGII-SNVBAGLBSA-N 0 0 182.311 2.942 10 30 AFEERN C=C[C@@H](CC)OC(=O)C1=CCCC1 308387864 629861521 /nfs/dbraw/zinc/86/15/21/629861521.db2.gz YBTSDCSKQKDGTD-JTQLQIEISA-N 0 0 180.247 2.605 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H]1CC1(C)C 308380319 629861626 /nfs/dbraw/zinc/86/16/26/629861626.db2.gz UNGFQOMENPYWNR-RKDXNWHRSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@@H]1CC[C@H](C=NOCC2CC2)C1 308395214 629861873 /nfs/dbraw/zinc/86/18/73/629861873.db2.gz CXUXWKQGCUOROC-KOLCDFICSA-N 0 0 181.279 2.835 10 30 AFEERN CCCNN=C1CCC[C@@H]1CCC 308383896 629861993 /nfs/dbraw/zinc/86/19/93/629861993.db2.gz VYQPRISJSKTGII-JTQLQIEISA-N 0 0 182.311 2.942 10 30 AFEERN C[C@H]1CC[C@H](C=NOCC2CC2)C1 308395223 629862070 /nfs/dbraw/zinc/86/20/70/629862070.db2.gz CXUXWKQGCUOROC-ONGXEEELSA-N 0 0 181.279 2.835 10 30 AFEERN CC(=NOCC1CC1)C1CCCC1 308399498 629862466 /nfs/dbraw/zinc/86/24/66/629862466.db2.gz HGSSLXHQGGBKDG-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C[C@@H]1CC[C@@H](C=NOCC2CC2)C1 308395218 629862484 /nfs/dbraw/zinc/86/24/84/629862484.db2.gz CXUXWKQGCUOROC-MWLCHTKSSA-N 0 0 181.279 2.835 10 30 AFEERN C=CC[C@H]1CCN1CC(F)(F)CC 934459853 629883974 /nfs/dbraw/zinc/88/39/74/629883974.db2.gz MJZRUVXKCSBRJK-VIFPVBQESA-N 0 0 189.249 2.682 10 30 AFEERN C=CC[C@@H]1CCN1CC(F)(F)CC 934459848 629886588 /nfs/dbraw/zinc/88/65/88/629886588.db2.gz MJZRUVXKCSBRJK-SECBINFHSA-N 0 0 189.249 2.682 10 30 AFEERN C=C(CC)COC(=O)[C@@]12CCC[C@@H]1C2 924432004 629887562 /nfs/dbraw/zinc/88/75/62/629887562.db2.gz FQPLNIXZTZOMGM-ZYHUDNBSSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCCC(=O)NC1(CCCC)CC1 889531610 629887912 /nfs/dbraw/zinc/88/79/12/629887912.db2.gz TUNRITRIVWLLJI-UHFFFAOYSA-N 0 0 195.306 2.792 10 30 AFEERN C=CCOc1ccc2cc[nH]c2c1 238082695 629893041 /nfs/dbraw/zinc/89/30/41/629893041.db2.gz OIMILEDUYTZSOZ-UHFFFAOYSA-N 0 0 173.215 2.733 10 30 AFEERN C#CCN1CCC=Cc2ccccc21 199920297 629910921 /nfs/dbraw/zinc/91/09/21/629910921.db2.gz HMPQEOWDDRBFKM-UHFFFAOYSA-N 0 0 183.254 2.543 10 30 AFEERN C=CCC(C)(C)CNC(=O)OC(C)C 310585043 629921803 /nfs/dbraw/zinc/92/18/03/629921803.db2.gz URCVVYNGMQDCCR-UHFFFAOYSA-N 0 0 199.294 2.723 10 30 AFEERN C=CCCC(=O)OC/C=C/CCC 34455101 629932551 /nfs/dbraw/zinc/93/25/51/629932551.db2.gz DZEWFBJGYJJWQM-BQYQJAHWSA-N 0 0 182.263 2.852 10 30 AFEERN C=C[C@H](CC)CC(=O)N1[C@@H](C)C[C@H]1C 935736853 629945589 /nfs/dbraw/zinc/94/55/89/629945589.db2.gz HMLOYTHOYMWXIF-OUAUKWLOSA-N 0 0 195.306 2.598 10 30 AFEERN C=C[C@H](CC)CC(=O)N1[C@@H](C)C[C@@H]1C 935736848 629945764 /nfs/dbraw/zinc/94/57/64/629945764.db2.gz HMLOYTHOYMWXIF-GARJFASQSA-N 0 0 195.306 2.598 10 30 AFEERN C=C[C@@H](CC)CC(=O)N1[C@@H](C)C[C@H]1C 935736846 629945991 /nfs/dbraw/zinc/94/59/91/629945991.db2.gz HMLOYTHOYMWXIF-AXFHLTTASA-N 0 0 195.306 2.598 10 30 AFEERN C=C[C@H](CC)CC(=O)N1[C@H](C)C[C@H]1C 935736852 629946028 /nfs/dbraw/zinc/94/60/28/629946028.db2.gz HMLOYTHOYMWXIF-GMTAPVOTSA-N 0 0 195.306 2.598 10 30 AFEERN CCCCCC[C@]1(C)O[C@H]1C#N 225230810 629954983 /nfs/dbraw/zinc/95/49/83/629954983.db2.gz YYQMYAAZBPURMF-UWVGGRQHSA-N 0 0 167.252 2.638 10 30 AFEERN CCCCCC[C@@]1(C)O[C@@H]1C#N 225230846 629955465 /nfs/dbraw/zinc/95/54/65/629955465.db2.gz YYQMYAAZBPURMF-NXEZZACHSA-N 0 0 167.252 2.638 10 30 AFEERN S[C@@H]1CSc2ccccc21 168108505 629965797 /nfs/dbraw/zinc/96/57/97/629965797.db2.gz VJDJCKSLLWBPAS-SSDOTTSWSA-N 0 0 168.286 2.763 10 30 AFEERN C=CCCOC(=O)C[C@H](C)CC 307939948 629967872 /nfs/dbraw/zinc/96/78/72/629967872.db2.gz BIFKULAQSCHESK-SECBINFHSA-N 0 0 170.252 2.542 10 30 AFEERN S[C@H]1CSc2ccccc21 168108619 629968783 /nfs/dbraw/zinc/96/87/83/629968783.db2.gz VJDJCKSLLWBPAS-ZETCQYMHSA-N 0 0 168.286 2.763 10 30 AFEERN CC(C)C=NOCCC(F)(F)F 307942561 629971658 /nfs/dbraw/zinc/97/16/58/629971658.db2.gz DFSLGSQKTWAHRU-UHFFFAOYSA-N 0 0 183.173 2.597 10 30 AFEERN CON=Cc1ccc(C)c(Cl)c1 307966350 629974503 /nfs/dbraw/zinc/97/45/03/629974503.db2.gz CDXXCVWIJSCBMY-UHFFFAOYSA-N 0 0 183.638 2.629 10 30 AFEERN C=C(C)CSc1nccn1CC 308006898 629976906 /nfs/dbraw/zinc/97/69/06/629976906.db2.gz HXMWPXZHOASYSK-UHFFFAOYSA-N 0 0 182.292 2.571 10 30 AFEERN CC[C@H](C)C=NOC1CCCC1 308006726 629978433 /nfs/dbraw/zinc/97/84/33/629978433.db2.gz DMIQBQTWMMDUQF-VIFPVBQESA-N 0 0 169.268 2.978 10 30 AFEERN C#CCON=C1CCC[C@@H](CC)C1 308170506 629990037 /nfs/dbraw/zinc/99/00/37/629990037.db2.gz BEPPTQHAXQDGNS-SNVBAGLBSA-N 0 0 179.263 2.592 10 30 AFEERN C#CCN(CC(=C)Cl)C1CCCC1 308188703 629990186 /nfs/dbraw/zinc/99/01/86/629990186.db2.gz LQLRTYRCHIJAOR-UHFFFAOYSA-N 0 0 197.709 2.617 10 30 AFEERN C#CCCCC(=O)OC(CC)CC 308168707 629990764 /nfs/dbraw/zinc/99/07/64/629990764.db2.gz AOCYZRKVIVLJBB-UHFFFAOYSA-N 0 0 182.263 2.522 10 30 AFEERN CCSCc1ccc(C#N)c(F)c1 260872541 521718019 /nfs/dbraw/zinc/71/80/19/521718019.db2.gz YELAVCLFTSOWMH-UHFFFAOYSA-N 0 0 195.262 2.950 10 30 AFEERN C=CC[C@H]1CCCCC1N=NCC 901283198 630746224 /nfs/dbraw/zinc/74/62/24/630746224.db2.gz ZYXKTDMMWVPCHK-JTQLQIEISA-N 0 0 180.295 2.718 10 30 AFEERN CCCCCCCC[C@@H](C)C(N)=O 86050402 630867993 /nfs/dbraw/zinc/86/79/93/630867993.db2.gz GIGIHWJAIVKJQR-SNVBAGLBSA-N 0 0 185.311 2.858 10 30 AFEERN CC[C@@H](C#N)CC(C)C 84327156 521801131 /nfs/dbraw/zinc/80/11/31/521801131.db2.gz VARJVIPTAAIJST-MRVPVSSYSA-N 0 0 125.215 2.582 10 30 AFEERN CC[C@H](C#N)CC(C)C 84327154 523751427 /nfs/dbraw/zinc/75/14/27/523751427.db2.gz VARJVIPTAAIJST-QMMMGPOBSA-N 0 0 125.215 2.582 10 30 AFEERN C=CCCCOC(=O)[C@@H]1CC1(C)C 308196935 630000434 /nfs/dbraw/zinc/00/04/34/630000434.db2.gz RUCNBUBDXJOXDY-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=C[C@H](CC)OC(=O)/C=C/CCC 308247614 630003063 /nfs/dbraw/zinc/00/30/63/630003063.db2.gz XWZCDIGALYDGBK-AAXQSMANSA-N 0 0 182.263 2.851 10 30 AFEERN C#C[C@@H](C)OC(=O)CCCCCC 308240363 630004268 /nfs/dbraw/zinc/00/42/68/630004268.db2.gz SLOJJANCPDMJKN-SNVBAGLBSA-N 0 0 182.263 2.522 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CC(C)(C)C 308256251 630004990 /nfs/dbraw/zinc/00/49/90/630004990.db2.gz KRWQYLLGMHHHOH-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H](C)C(C)C 308246553 630005082 /nfs/dbraw/zinc/00/50/82/630005082.db2.gz WKRJPJIMXIFIFG-NXEZZACHSA-N 0 0 184.279 2.786 10 30 AFEERN C=C[C@@H](C)OC(=O)C(C)(CC)CC 308298644 630008126 /nfs/dbraw/zinc/00/81/26/630008126.db2.gz KWTOKMXIGHZKSK-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H](C)[C@H](C)CC 308313876 630010368 /nfs/dbraw/zinc/01/03/68/630010368.db2.gz TYSHJMHFSCODNW-KXUCPTDWSA-N 0 0 184.279 2.786 10 30 AFEERN C1CC(ON=C2CCC23CCC3)C1 308324815 630010665 /nfs/dbraw/zinc/01/06/65/630010665.db2.gz DXOXXLBYJSFXGW-UHFFFAOYSA-N 0 0 179.263 2.876 10 30 AFEERN C#CCCCSCCOCC1CC1 308343016 630010745 /nfs/dbraw/zinc/01/07/45/630010745.db2.gz SGAITODEDGPEHX-UHFFFAOYSA-N 0 0 198.331 2.560 10 30 AFEERN C=C(C)[C@@H]1CC=C(C)C(=NOC)C1 308491099 630013255 /nfs/dbraw/zinc/01/32/55/630013255.db2.gz RFVBREOOHOLCLZ-SNVBAGLBSA-N 0 0 179.263 2.921 10 30 AFEERN C=C[C@](C)(CC)C(=O)O[C@@H](C)CC 308456259 630013845 /nfs/dbraw/zinc/01/38/45/630013845.db2.gz GCMFXPLWLKXTQE-GXSJLCMTSA-N 0 0 184.279 2.930 10 30 AFEERN FC(F)CON=C1CCCC12CC2 853333184 630023466 /nfs/dbraw/zinc/02/34/66/630023466.db2.gz DPYHNCHGZFWFDR-UHFFFAOYSA-N 0 0 189.205 2.588 10 30 AFEERN C=CC1(OC(=O)[C@H]2C[C@@H]2C(C)C)CC1 893364005 630035094 /nfs/dbraw/zinc/03/50/94/630035094.db2.gz KMYLLEQDCIYIAC-ZJUUUORDSA-N 0 0 194.274 2.540 10 30 AFEERN C=CC1(OC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 893364002 630035251 /nfs/dbraw/zinc/03/52/51/630035251.db2.gz KMYLLEQDCIYIAC-NXEZZACHSA-N 0 0 194.274 2.540 10 30 AFEERN C=CC1(OC(=O)[C@H]2C[C@H]2C(C)C)CC1 893364003 630035748 /nfs/dbraw/zinc/03/57/48/630035748.db2.gz KMYLLEQDCIYIAC-UWVGGRQHSA-N 0 0 194.274 2.540 10 30 AFEERN C=CC1(OC(=O)[C@@H]2C[C@H]2C(C)C)CC1 893364004 630035785 /nfs/dbraw/zinc/03/57/85/630035785.db2.gz KMYLLEQDCIYIAC-VHSXEESVSA-N 0 0 194.274 2.540 10 30 AFEERN C#CCCN(C)c1ccc(C)cc1C 82493999 630040882 /nfs/dbraw/zinc/04/08/82/630040882.db2.gz BCFORSHJOBLWKO-UHFFFAOYSA-N 0 0 187.286 2.763 10 30 AFEERN C#CCCNc1cc(F)cc(F)c1F 82497085 630040940 /nfs/dbraw/zinc/04/09/40/630040940.db2.gz RWDBPIAYLUZNOQ-UHFFFAOYSA-N 0 0 199.175 2.539 10 30 AFEERN C=CCCCOC(=O)C1(C)CC=CC1 924200358 630053129 /nfs/dbraw/zinc/05/31/29/630053129.db2.gz AERFIMZSSPFBHV-UHFFFAOYSA-N 0 0 194.274 2.852 10 30 AFEERN C=CCCC(=O)OC[C@@]12CCC[C@@H]1C2 893627906 630056694 /nfs/dbraw/zinc/05/66/94/630056694.db2.gz CAUQTRWLXXFIJF-PWSUYJOCSA-N 0 0 194.274 2.686 10 30 AFEERN CCC1CCC(=NOC)CC1 222940263 630057377 /nfs/dbraw/zinc/05/73/77/630057377.db2.gz BUQSUEQUIGYMMX-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN CC#CCOC(=O)CCCCCCC 223017317 630057568 /nfs/dbraw/zinc/05/75/68/630057568.db2.gz BJNRRVNOIZSHEO-UHFFFAOYSA-N 0 0 196.290 2.913 10 30 AFEERN SCc1cccc2cc[nH]c12 231576661 630062504 /nfs/dbraw/zinc/06/25/04/630062504.db2.gz YGRFAUUCQXYQBB-UHFFFAOYSA-N 0 0 163.245 2.598 10 30 AFEERN C(=NNc1ccccc1)c1ccoc1 15219922 630062739 /nfs/dbraw/zinc/06/27/39/630062739.db2.gz WWWCVOKEBRXHPR-UHFFFAOYSA-N 0 0 186.214 2.726 10 30 AFEERN Cc1cc(C)cc(C(C)(C)C=O)c1 84333242 630067535 /nfs/dbraw/zinc/06/75/35/630067535.db2.gz WOXKLCQSGVROLT-UHFFFAOYSA-N 0 0 176.259 2.780 10 30 AFEERN C=CCN(CC=C)Cc1cc(C)co1 893872295 630069712 /nfs/dbraw/zinc/06/97/12/630069712.db2.gz QMOVAWRSJWXYMZ-UHFFFAOYSA-N 0 0 191.274 2.762 10 30 AFEERN C=C(C)CNN=C1CCC(C)CC1 306160654 630081836 /nfs/dbraw/zinc/08/18/36/630081836.db2.gz FWJFTXXXAMMZPD-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN Cc1ncsc1CON=C1CCC1 306191849 630084625 /nfs/dbraw/zinc/08/46/25/630084625.db2.gz GQPUFQJJFCMWKD-UHFFFAOYSA-N 0 0 196.275 2.508 10 30 AFEERN CC1CC(=NOC/C=C/Cl)C1 306205099 630085545 /nfs/dbraw/zinc/08/55/45/630085545.db2.gz FQLQFZHTGJSEOG-FAYCRXAESA-N 0 0 173.643 2.541 10 30 AFEERN CCCNN=C1CCC(C)CC1 306421615 630107426 /nfs/dbraw/zinc/10/74/26/630107426.db2.gz HHCYLIFZBMHMLP-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN CC1CCC(=NOCC2CC2)CC1 306505324 630116773 /nfs/dbraw/zinc/11/67/73/630116773.db2.gz FEZYOBHNXMYVQZ-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C=C(C)CNN=C1CCCCCC1 306495175 630116858 /nfs/dbraw/zinc/11/68/58/630116858.db2.gz BMQRMJMARRMPJQ-UHFFFAOYSA-N 0 0 180.295 2.862 10 30 AFEERN FC(F)C1CC(=NOC2CCC2)C1 306517402 630118312 /nfs/dbraw/zinc/11/83/12/630118312.db2.gz CHZUUSHGXDTSAH-UHFFFAOYSA-N 0 0 189.205 2.587 10 30 AFEERN CC(C)C(C)(C)SCC#N 306627329 630124852 /nfs/dbraw/zinc/12/48/52/630124852.db2.gz JIVCGNSDJHPBFQ-UHFFFAOYSA-N 0 0 157.282 2.678 10 30 AFEERN C1CC(ON=C2CC3(CCC3)C2)C1 306615229 630127008 /nfs/dbraw/zinc/12/70/08/630127008.db2.gz BDYNKJQUNVZXDB-UHFFFAOYSA-N 0 0 179.263 2.876 10 30 AFEERN C#CCCCSCCC=C 306980613 630141712 /nfs/dbraw/zinc/14/17/12/630141712.db2.gz FXMYHTKBNZRLDO-UHFFFAOYSA-N 0 0 154.278 2.709 10 30 AFEERN CC(C)C1CC(=NOC2CCC2)C1 307085219 630145270 /nfs/dbraw/zinc/14/52/70/630145270.db2.gz MAUAGDVCAZREKK-UHFFFAOYSA-N 0 0 181.279 2.978 10 30 AFEERN N#CC1(CSc2nccs2)CC1 307234409 630157153 /nfs/dbraw/zinc/15/71/53/630157153.db2.gz DTWDOOIRDHYVCL-UHFFFAOYSA-N 0 0 196.300 2.539 10 30 AFEERN C#CCCCSCC(=C)C 307340605 630162980 /nfs/dbraw/zinc/16/29/80/630162980.db2.gz JBWRLGJDPIITSL-UHFFFAOYSA-N 0 0 154.278 2.709 10 30 AFEERN C=CCSCC(=C)Cl 307428104 630166952 /nfs/dbraw/zinc/16/69/52/630166952.db2.gz AALHEMPEGJGQTR-UHFFFAOYSA-N 0 0 148.658 2.658 10 30 AFEERN C#CCON=C1CCC(CC)CC1 307607971 630176627 /nfs/dbraw/zinc/17/66/27/630176627.db2.gz CYSIZRKHYDCZAE-UHFFFAOYSA-N 0 0 179.263 2.592 10 30 AFEERN CCC(CC)N=Nc1ccncc1 307612284 630177151 /nfs/dbraw/zinc/17/71/51/630177151.db2.gz HWCCLQCUJJFMTQ-UHFFFAOYSA-N 0 0 177.251 2.670 10 30 AFEERN Cl/C=C/CON=C1CC2(CC2)C1 307622272 630177835 /nfs/dbraw/zinc/17/78/35/630177835.db2.gz GWESKUTVGPEZNC-DAFODLJHSA-N 0 0 185.654 2.686 10 30 AFEERN C=C(C)CCON=C1CCC1 307639425 630179826 /nfs/dbraw/zinc/17/98/26/630179826.db2.gz BQFNPTPELNKZCQ-UHFFFAOYSA-N 0 0 153.225 2.509 10 30 AFEERN CCCNN=C1CCCCCC1 307740683 630187647 /nfs/dbraw/zinc/18/76/47/630187647.db2.gz HYCDKXVVVWCMNA-UHFFFAOYSA-N 0 0 168.284 2.696 10 30 AFEERN C=C(C)CNc1ccccc1F 49136085 630194030 /nfs/dbraw/zinc/19/40/30/630194030.db2.gz AJEBQKUQRFFGPS-UHFFFAOYSA-N 0 0 165.211 2.814 10 30 AFEERN C#CCNc1ccc(C)c(Cl)c1 49135917 630195978 /nfs/dbraw/zinc/19/59/78/630195978.db2.gz DLGUAPJTZVONTK-UHFFFAOYSA-N 0 0 179.650 2.694 10 30 AFEERN CON=C1C[C@@H](C)CC(C)(C)C1 307971375 630199744 /nfs/dbraw/zinc/19/97/44/630199744.db2.gz HKUWCLLSPTXIEH-MRVPVSSYSA-N 0 0 169.268 2.835 10 30 AFEERN CON=C(C)c1cccc(Cl)c1 307970913 630200176 /nfs/dbraw/zinc/20/01/76/630200176.db2.gz HASGORKVBVRGKT-UHFFFAOYSA-N 0 0 183.638 2.710 10 30 AFEERN CON=C1C[C@H](C)CC(C)(C)C1 307971377 630200543 /nfs/dbraw/zinc/20/05/43/630200543.db2.gz HKUWCLLSPTXIEH-QMMMGPOBSA-N 0 0 169.268 2.835 10 30 AFEERN C#CCCCOC(=O)CC1CCCC1 727040639 630207663 /nfs/dbraw/zinc/20/76/63/630207663.db2.gz DBIOGLDAUGALDY-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=CCCc1ccccc1NC 196023465 630212401 /nfs/dbraw/zinc/21/24/01/630212401.db2.gz BAYAVAUNGMPNIB-UHFFFAOYSA-N 0 0 161.248 2.847 10 30 AFEERN C=C[C@H](CC)CC(=O)OCCC 909521515 630217483 /nfs/dbraw/zinc/21/74/83/630217483.db2.gz GAWLEJBIXHZSCK-SECBINFHSA-N 0 0 170.252 2.542 10 30 AFEERN C=C[C@@H](CC)CC(=O)OCCC 909521516 630217624 /nfs/dbraw/zinc/21/76/24/630217624.db2.gz GAWLEJBIXHZSCK-VIFPVBQESA-N 0 0 170.252 2.542 10 30 AFEERN C=C[C@H](CC)CC(=O)OCC1CC1 909523960 630218541 /nfs/dbraw/zinc/21/85/41/630218541.db2.gz CZQQBVFTDDQOGW-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C=C[C@@H](CC)CC(=O)OCC1CC1 909523961 630220208 /nfs/dbraw/zinc/22/02/08/630220208.db2.gz CZQQBVFTDDQOGW-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=C[C@@H](CC)CC(=O)OC(C)C 909528710 630222465 /nfs/dbraw/zinc/22/24/65/630222465.db2.gz FKBABOZKNNALIW-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@H](CC)CC(=O)OC(C)C 909528709 630222564 /nfs/dbraw/zinc/22/25/64/630222564.db2.gz FKBABOZKNNALIW-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN CCCCCCCC(=O)N[C@@H]1C[C@H]1C 727734008 630227901 /nfs/dbraw/zinc/22/79/01/630227901.db2.gz DXSQVGRKDVAWDR-GHMZBOCLSA-N 0 0 197.322 2.872 10 30 AFEERN C=C1CCC(c2nc(CC)no2)CC1 895965555 630231016 /nfs/dbraw/zinc/23/10/16/630231016.db2.gz CLCKEYRAGGZUBH-UHFFFAOYSA-N 0 0 192.262 2.846 10 30 AFEERN C=C1CCC(c2nc(C)no2)CC1 895957055 630231068 /nfs/dbraw/zinc/23/10/68/630231068.db2.gz ALLJEJQKZDFXLT-UHFFFAOYSA-N 0 0 178.235 2.592 10 30 AFEERN C=C1CC(C)(c2noc(CCC)n2)C1 896910999 630236577 /nfs/dbraw/zinc/23/65/77/630236577.db2.gz WVPVEIVHTWIREI-UHFFFAOYSA-N 0 0 192.262 2.630 10 30 AFEERN C=CCC(C)(C)COC(=O)C1CCC1 814004831 630242235 /nfs/dbraw/zinc/24/22/35/630242235.db2.gz CVYUOBMEWDFQMT-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)CNc1sccc1C(C)=O 306149334 630244081 /nfs/dbraw/zinc/24/40/81/630244081.db2.gz BVOWDTUJZMHPPB-UHFFFAOYSA-N 0 0 195.287 2.939 10 30 AFEERN C=C(Cl)C[N@@H+]1CCCC12CCC2 307755081 630249389 /nfs/dbraw/zinc/24/93/89/630249389.db2.gz CGVXEDNRALMVJR-UHFFFAOYSA-N 0 0 185.698 2.757 10 30 AFEERN CSCc1ccc(CS)cc1 143436136 630249452 /nfs/dbraw/zinc/24/94/52/630249452.db2.gz WDUQNLMJERBJEN-UHFFFAOYSA-N 0 0 184.329 2.979 10 30 AFEERN C#CCN(CC)c1cccc(Cl)c1 307695263 630249848 /nfs/dbraw/zinc/24/98/48/630249848.db2.gz FILUCNIWUOCXLV-UHFFFAOYSA-N 0 0 193.677 2.800 10 30 AFEERN C=C(Cl)CSCc1ccno1 307540778 630249873 /nfs/dbraw/zinc/24/98/73/630249873.db2.gz AIWHRHYYJAMZOX-UHFFFAOYSA-N 0 0 189.667 2.660 10 30 AFEERN C=CCOC(=O)C1(C)CCCCC1 143401405 630250126 /nfs/dbraw/zinc/25/01/26/630250126.db2.gz GFKZCRMKIMPDTE-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCCC(=O)OCC1(C(C)C)CC1 799670867 630288921 /nfs/dbraw/zinc/28/89/21/630288921.db2.gz ACMCTDSCCJWXHC-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C[C@@H]1CCC[C@H](C=Nn2cccn2)C1 863164648 630347748 /nfs/dbraw/zinc/34/77/48/630347748.db2.gz RFGQCTPWAXCUHR-MNOVXSKESA-N 0 0 191.278 2.543 10 30 AFEERN C[C@H]1CCC[C@H](C=Nn2cccn2)C1 863164649 630348417 /nfs/dbraw/zinc/34/84/17/630348417.db2.gz RFGQCTPWAXCUHR-QWRGUYRKSA-N 0 0 191.278 2.543 10 30 AFEERN C[C@H]1CCC[C@@H](C=Nn2cccn2)C1 863164650 630348505 /nfs/dbraw/zinc/34/85/05/630348505.db2.gz RFGQCTPWAXCUHR-WDEREUQCSA-N 0 0 191.278 2.543 10 30 AFEERN C[C@@H]1CCC[C@@H](C=Nn2cccn2)C1 863164647 630348631 /nfs/dbraw/zinc/34/86/31/630348631.db2.gz RFGQCTPWAXCUHR-GHMZBOCLSA-N 0 0 191.278 2.543 10 30 AFEERN C#CCNc1c(C)cccc1Cl 85388138 630456401 /nfs/dbraw/zinc/45/64/01/630456401.db2.gz DLOROYZECSXLAU-UHFFFAOYSA-N 0 0 179.650 2.694 10 30 AFEERN C=C1CN(C(=O)[C@](C)(CC)CCC)C1 898700615 630507448 /nfs/dbraw/zinc/50/74/48/630507448.db2.gz CXWQWQUYVLLQOR-GFCCVEGCSA-N 0 0 195.306 2.601 10 30 AFEERN C=C1CN(C(=O)[C@@](C)(CC)CCC)C1 898700616 630507712 /nfs/dbraw/zinc/50/77/12/630507712.db2.gz CXWQWQUYVLLQOR-LBPRGKRZSA-N 0 0 195.306 2.601 10 30 AFEERN C=C1CN(C(=O)CC(C)(C)CCC)C1 898701820 630555940 /nfs/dbraw/zinc/55/59/40/630555940.db2.gz ZBGOVHSWUFYYKN-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN Cc1cc(C)cc(C(F)(F)C#N)c1 131732403 524371120 /nfs/dbraw/zinc/37/11/20/524371120.db2.gz DVKREDCWNXSHIU-UHFFFAOYSA-N 0 0 181.185 2.919 10 30 AFEERN C=CC[C@@H]1CCCCC1N=NCC 901283199 630746763 /nfs/dbraw/zinc/74/67/63/630746763.db2.gz ZYXKTDMMWVPCHK-SNVBAGLBSA-N 0 0 180.295 2.718 10 30 AFEERN CCNc1ccc(CCC#N)cc1 902227645 630748047 /nfs/dbraw/zinc/74/80/47/630748047.db2.gz COVOOUUFHPDCJO-UHFFFAOYSA-N 0 0 174.247 2.575 10 30 AFEERN C#CCCNc1ccc(CCC#N)cc1 902225679 630748191 /nfs/dbraw/zinc/74/81/91/630748191.db2.gz HNWUOSVYYGSNDV-UHFFFAOYSA-N 0 0 198.269 2.578 10 30 AFEERN C=CCNc1ccc(CCC#N)cc1 902228285 630748385 /nfs/dbraw/zinc/74/83/85/630748385.db2.gz JOPNUPWNFFTDKW-UHFFFAOYSA-N 0 0 186.258 2.741 10 30 AFEERN CC#CCNc1ccc(CCC#N)cc1 902226158 630748732 /nfs/dbraw/zinc/74/87/32/630748732.db2.gz LOYXDUQFDZUBPB-UHFFFAOYSA-N 0 0 198.269 2.578 10 30 AFEERN C=CCCCC(=O)OCC(C)C 88247169 630751191 /nfs/dbraw/zinc/75/11/91/630751191.db2.gz CQKOOZOPDPSYIW-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN CCOc1ccc(CS)cc1OC 84909739 630753795 /nfs/dbraw/zinc/75/37/95/630753795.db2.gz KUGVQJOWCXKFCY-UHFFFAOYSA-N 0 0 198.287 2.524 10 30 AFEERN O=C(/C=C\c1ccc[nH]1)c1ccco1 211315377 630757178 /nfs/dbraw/zinc/75/71/78/630757178.db2.gz PTBVOJDWRWNBJW-WAYWQWQTSA-N 0 0 187.198 2.504 10 30 AFEERN C[C@H](F)CCNc1ccc(C#N)cc1 213620693 630757686 /nfs/dbraw/zinc/75/76/86/630757686.db2.gz CPCRGRKHUHLIJV-VIFPVBQESA-N 0 0 192.237 2.718 10 30 AFEERN C=C[C@@H](CC)CC(=O)N(C)CCCC 929791736 630760329 /nfs/dbraw/zinc/76/03/29/630760329.db2.gz CEAKPBAQKRDWEY-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=C[C@H](CC)CC(=O)N(C)CCCC 929791734 630761051 /nfs/dbraw/zinc/76/10/51/630761051.db2.gz CEAKPBAQKRDWEY-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCc1noc([C@@H]2CC2(C)C)n1 351128471 630769084 /nfs/dbraw/zinc/76/90/84/630769084.db2.gz ATVYRHJDRIBPOV-QMMMGPOBSA-N 0 0 192.262 2.702 10 30 AFEERN C=CC(C)(C)NC(=O)OCCC(C)C 908467104 630770421 /nfs/dbraw/zinc/77/04/21/630770421.db2.gz XTXMDNBLIKFYLM-UHFFFAOYSA-N 0 0 199.294 2.723 10 30 AFEERN C=CC(C)(C)NC(=O)OC1CCCC1 908467031 630770528 /nfs/dbraw/zinc/77/05/28/630770528.db2.gz WPGYSRBTHYRQON-UHFFFAOYSA-N 0 0 197.278 2.620 10 30 AFEERN CCCCCC=NOC[C@H]1CCOC1 788029312 630772245 /nfs/dbraw/zinc/77/22/45/630772245.db2.gz DRNKTVBNILJLDO-NSHDSACASA-N 0 0 199.294 2.606 10 30 AFEERN CCCCCC=NOC[C@@H]1CCOC1 788029298 630772421 /nfs/dbraw/zinc/77/24/21/630772421.db2.gz DRNKTVBNILJLDO-LLVKDONJSA-N 0 0 199.294 2.606 10 30 AFEERN CC[C@H](C)CON=C1C[C@@H](C)O[C@H]1C 834980540 630772956 /nfs/dbraw/zinc/77/29/56/630772956.db2.gz ADKRAIPYKYDWTA-AEJSXWLSSA-N 0 0 199.294 2.602 10 30 AFEERN CCCCCCCCC(=O)N1CCC1 914879996 630775718 /nfs/dbraw/zinc/77/57/18/630775718.db2.gz HDAGPNHPGOFTST-UHFFFAOYSA-N 0 0 197.322 2.969 10 30 AFEERN C=CCN(C(=O)CC(C)(C)C)C(C)C 915147529 630778533 /nfs/dbraw/zinc/77/85/33/630778533.db2.gz AEDTVBKBKXWXCM-UHFFFAOYSA-N 0 0 197.322 2.846 10 30 AFEERN CCC(C)=NNCc1cccc(F)c1 915965347 630783858 /nfs/dbraw/zinc/78/38/58/630783858.db2.gz MWVLYGFBCLHUFJ-UHFFFAOYSA-N 0 0 194.253 2.701 10 30 AFEERN C#CCOC(=O)C(C)(C)CC(C)(C)C 909735488 630783954 /nfs/dbraw/zinc/78/39/54/630783954.db2.gz COQDFDQUZKDMMD-UHFFFAOYSA-N 0 0 196.290 2.625 10 30 AFEERN CCC(C)N=Nc1ccc(C#N)cc1 915961223 630784267 /nfs/dbraw/zinc/78/42/67/630784267.db2.gz BLXMJWHMTOWFHS-UHFFFAOYSA-N 0 0 187.246 2.756 10 30 AFEERN C#CC[N@@H+](Cc1cccc(C)c1)C1CC1 917063130 630789204 /nfs/dbraw/zinc/78/92/04/630789204.db2.gz BQBCAWSEETXEHB-UHFFFAOYSA-N 0 0 199.297 2.593 10 30 AFEERN C#CC[N@@H+](Cc1ccc(C)cc1)C1CC1 916978088 630789780 /nfs/dbraw/zinc/78/97/80/630789780.db2.gz FIUHPGLZQWPBMX-UHFFFAOYSA-N 0 0 199.297 2.593 10 30 AFEERN CON=C(C)CCc1ccc(F)cc1 917543163 630797841 /nfs/dbraw/zinc/79/78/41/630797841.db2.gz GULKWGKOAFIERJ-UHFFFAOYSA-N 0 0 195.237 2.781 10 30 AFEERN C#CCN(CC)c1cc(C)ccc1C 917406815 630797891 /nfs/dbraw/zinc/79/78/91/630797891.db2.gz GMVSQEQGDLYUAU-UHFFFAOYSA-N 0 0 187.286 2.763 10 30 AFEERN C#CCCCOC(=O)CCC1(C)CC1 910037504 630798200 /nfs/dbraw/zinc/79/82/00/630798200.db2.gz DWCPPMCWZPQWSW-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=C(C)COC(=O)CCC1(C)CC1 910035389 630799500 /nfs/dbraw/zinc/79/95/00/630799500.db2.gz ALLMITYKJNWBHB-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN N#CCCSC1CC2(CCC2)C1 917847094 630800632 /nfs/dbraw/zinc/80/06/32/630800632.db2.gz DUENCSMDQUEPHJ-UHFFFAOYSA-N 0 0 181.304 2.966 10 30 AFEERN N#CCCSC1CCSCC1 917847093 630800831 /nfs/dbraw/zinc/80/08/31/630800831.db2.gz DTSPTFVQFCQTKY-UHFFFAOYSA-N 0 0 187.333 2.529 10 30 AFEERN C=CCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 910216275 630802780 /nfs/dbraw/zinc/80/27/80/630802780.db2.gz QMUQMDNKPRYGIP-GARJFASQSA-N 0 0 194.274 2.542 10 30 AFEERN CC#CCSc1cc(C)ccn1 918799543 630806233 /nfs/dbraw/zinc/80/62/33/630806233.db2.gz BBXLKGIVONHLQQ-UHFFFAOYSA-N 0 0 177.272 2.505 10 30 AFEERN C=CCN(C(=O)[C@H](C)CCC)C(C)C 918700930 630806552 /nfs/dbraw/zinc/80/65/52/630806552.db2.gz HWYXYNIBMZJUAF-LLVKDONJSA-N 0 0 197.322 2.846 10 30 AFEERN C=C(C)CCOC(=O)[C@H](C)CC 33607747 630806577 /nfs/dbraw/zinc/80/65/77/630806577.db2.gz LTOLHPXUSLBUHD-SECBINFHSA-N 0 0 170.252 2.542 10 30 AFEERN C#CCCCSc1cc(C)ccn1 918799917 630806700 /nfs/dbraw/zinc/80/67/00/630806700.db2.gz DDFQLMDURWGJSI-UHFFFAOYSA-N 0 0 191.299 2.896 10 30 AFEERN C=CCCC(=O)Oc1ccccc1 44134998 630806843 /nfs/dbraw/zinc/80/68/43/630806843.db2.gz IDAIRHGYBSBTJO-UHFFFAOYSA-N 0 0 176.215 2.558 10 30 AFEERN CC[C@H](C#N)Sc1cc(C)ccn1 918806459 630806861 /nfs/dbraw/zinc/80/68/61/630806861.db2.gz AUWPCENVNHQSGW-SECBINFHSA-N 0 0 192.287 2.784 10 30 AFEERN C=CCN(C(=O)[C@@H](C)CCC)C(C)C 918701032 630807013 /nfs/dbraw/zinc/80/70/13/630807013.db2.gz HWYXYNIBMZJUAF-NSHDSACASA-N 0 0 197.322 2.846 10 30 AFEERN CC[C@@H](C#N)Sc1cc(C)ccn1 918806460 630808011 /nfs/dbraw/zinc/80/80/11/630808011.db2.gz AUWPCENVNHQSGW-VIFPVBQESA-N 0 0 192.287 2.784 10 30 AFEERN Cc1ccnc(SCCCC#N)c1 918750386 630808192 /nfs/dbraw/zinc/80/81/92/630808192.db2.gz BRBCODLGARTGNY-UHFFFAOYSA-N 0 0 192.287 2.786 10 30 AFEERN CCC[C@H](C)C(=O)OCCCCC#N 919230255 630809090 /nfs/dbraw/zinc/80/90/90/630809090.db2.gz FGNOZGGRQUDTQM-JTQLQIEISA-N 0 0 197.278 2.660 10 30 AFEERN CCCCCCCCC(=O)OCC#N 919222114 630809718 /nfs/dbraw/zinc/80/97/18/630809718.db2.gz HTTJGUIBJNXIMC-UHFFFAOYSA-N 0 0 197.278 2.804 10 30 AFEERN CCC[C@@H](C)C(=O)OCCCCC#N 919230256 630809958 /nfs/dbraw/zinc/80/99/58/630809958.db2.gz FGNOZGGRQUDTQM-SNVBAGLBSA-N 0 0 197.278 2.660 10 30 AFEERN CON=C(C)CCc1ccc(C)cc1 920371285 630815145 /nfs/dbraw/zinc/81/51/45/630815145.db2.gz HLYYVXCFEAEAHG-UHFFFAOYSA-N 0 0 191.274 2.950 10 30 AFEERN CC#CCCSCc1cnc(C)o1 912429214 630818651 /nfs/dbraw/zinc/81/86/51/630818651.db2.gz KDNFKSHIYOLIMH-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C=CCN(CC=C)C(=O)/C=C/CCC 920397074 630819217 /nfs/dbraw/zinc/81/92/17/630819217.db2.gz GFIMBYLHBGBAMZ-CMDGGOBGSA-N 0 0 193.290 2.543 10 30 AFEERN CON=C1CC(C)(C)c2ccccc21 920371260 630816685 /nfs/dbraw/zinc/81/66/85/630816685.db2.gz HGSNUADDKTYHDN-UHFFFAOYSA-N 0 0 189.258 2.718 10 30 AFEERN C#CCCCSCc1cnc(C)o1 912430028 630817346 /nfs/dbraw/zinc/81/73/46/630817346.db2.gz NOBKKPSZAPISBD-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C=C(C)CSCc1cnc(C)o1 912416680 630817414 /nfs/dbraw/zinc/81/74/14/630817414.db2.gz LGJXNEARZYAQCU-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN C=CCCSCc1cnc(C)o1 912427930 630817908 /nfs/dbraw/zinc/81/79/08/630817908.db2.gz VRPXGUOIKULPNO-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN CCC/C(C)=C\C(=O)OCCCC#N 920690587 630818222 /nfs/dbraw/zinc/81/82/22/630818222.db2.gz ARLRTUJNLLCKLS-KTKRTIGZSA-N 0 0 195.262 2.580 10 30 AFEERN CCCCCCCC(=O)N(C)C1CC1 920444483 630818317 /nfs/dbraw/zinc/81/83/17/630818317.db2.gz CEAYDKAOTIJPJA-UHFFFAOYSA-N 0 0 197.322 2.968 10 30 AFEERN C=CCN(CC=C)C(=O)/C=C\CCC 920397075 630818606 /nfs/dbraw/zinc/81/86/06/630818606.db2.gz GFIMBYLHBGBAMZ-HJWRWDBZSA-N 0 0 193.290 2.543 10 30 AFEERN CCC/C(C)=C/C(=O)OCCCC#N 920690588 630818698 /nfs/dbraw/zinc/81/86/98/630818698.db2.gz ARLRTUJNLLCKLS-MDZDMXLPSA-N 0 0 195.262 2.580 10 30 AFEERN CCCCCCCC(=O)N1CC[C@@H]1C 920462959 630818730 /nfs/dbraw/zinc/81/87/30/630818730.db2.gz HNWNSMFBHRPYFT-NSHDSACASA-N 0 0 197.322 2.968 10 30 AFEERN CCCCCCCC(=O)N1CC[C@H]1C 920462954 630819042 /nfs/dbraw/zinc/81/90/42/630819042.db2.gz HNWNSMFBHRPYFT-LLVKDONJSA-N 0 0 197.322 2.968 10 30 AFEERN CC(C)(C)/N=C\C#C[Si](C)(C)C 221858955 630831996 /nfs/dbraw/zinc/83/19/96/630831996.db2.gz WIDIIOWBVYHKRT-FLIBITNWSA-N 0 0 181.355 2.737 10 30 AFEERN CCCCCCCC(=O)N1CCCO1 164344342 630834495 /nfs/dbraw/zinc/83/44/95/630834495.db2.gz UIIPETBABNVNIM-UHFFFAOYSA-N 0 0 199.294 2.511 10 30 AFEERN C/C=C\CNc1ccc(C#N)cc1 199646587 630836914 /nfs/dbraw/zinc/83/69/14/630836914.db2.gz QWCCFAKVGRXIIO-IHWYPQMZSA-N 0 0 172.231 2.546 10 30 AFEERN CC(C)(C)c1ncc(CS)s1 82416764 630838551 /nfs/dbraw/zinc/83/85/51/630838551.db2.gz VBOIGQHKPCCMIV-UHFFFAOYSA-N 0 0 187.333 2.870 10 30 AFEERN CCCON=C1CCCc2occc21 842550287 630840854 /nfs/dbraw/zinc/84/08/54/630840854.db2.gz CQFKIPYLMPLEQI-UHFFFAOYSA-N 0 0 193.246 2.747 10 30 AFEERN C#CCCOc1ccccc1Cl 82494117 630842330 /nfs/dbraw/zinc/84/23/30/630842330.db2.gz FGYQKBOENDLAKE-UHFFFAOYSA-N 0 0 180.634 2.742 10 30 AFEERN CON=C(C)CCc1ccccc1F 734092806 630849727 /nfs/dbraw/zinc/84/97/27/630849727.db2.gz CBHGQRCPPNUZPU-UHFFFAOYSA-N 0 0 195.237 2.781 10 30 AFEERN CCC[C@H](C)C=NO[C@@H]1CCCCO1 755819480 630850532 /nfs/dbraw/zinc/85/05/32/630850532.db2.gz UYVWXWMJOWCIFL-WDEREUQCSA-N 0 0 199.294 2.952 10 30 AFEERN CC(C)CON=CCC(F)(F)F 817325311 630851225 /nfs/dbraw/zinc/85/12/25/630851225.db2.gz AABFMSYDZSUIQQ-UHFFFAOYSA-N 0 0 183.173 2.597 10 30 AFEERN CCC[C@@H](C)C=NO[C@H]1CCCCO1 755819387 630852967 /nfs/dbraw/zinc/85/29/67/630852967.db2.gz UYVWXWMJOWCIFL-MNOVXSKESA-N 0 0 199.294 2.952 10 30 AFEERN CCCON=C(C)CC(F)(F)F 842552266 630853302 /nfs/dbraw/zinc/85/33/02/630853302.db2.gz ZDDYEYFZKBOHCF-UHFFFAOYSA-N 0 0 183.173 2.741 10 30 AFEERN CCC[C@H](C)C=NO[C@H]1CCCCO1 755819476 630853365 /nfs/dbraw/zinc/85/33/65/630853365.db2.gz UYVWXWMJOWCIFL-QWRGUYRKSA-N 0 0 199.294 2.952 10 30 AFEERN CCC[C@@H](C)C=NO[C@@H]1CCCCO1 755819356 630853485 /nfs/dbraw/zinc/85/34/85/630853485.db2.gz UYVWXWMJOWCIFL-GHMZBOCLSA-N 0 0 199.294 2.952 10 30 AFEERN C=CCCCOc1ccc(F)nc1 169197113 630859237 /nfs/dbraw/zinc/85/92/37/630859237.db2.gz CYPKLJUJDANASU-UHFFFAOYSA-N 0 0 181.210 2.566 10 30 AFEERN C=CCCOc1ccc(C=O)c(C)c1 85873934 630863217 /nfs/dbraw/zinc/86/32/17/630863217.db2.gz VHJSUODSAWKAMK-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C#CCCSC[C@@H](C)CC 228662633 630864034 /nfs/dbraw/zinc/86/40/34/630864034.db2.gz HAUCZTFARAXUFD-VIFPVBQESA-N 0 0 156.294 2.789 10 30 AFEERN C#CCCSC[C@H](C)CC 228662641 630864635 /nfs/dbraw/zinc/86/46/35/630864635.db2.gz HAUCZTFARAXUFD-SECBINFHSA-N 0 0 156.294 2.789 10 30 AFEERN CCCCCCCC[C@H](C)C(N)=O 86050403 630870117 /nfs/dbraw/zinc/87/01/17/630870117.db2.gz GIGIHWJAIVKJQR-JTQLQIEISA-N 0 0 185.311 2.858 10 30 AFEERN C#CCCOc1cc(F)ccc1C 230402998 630876230 /nfs/dbraw/zinc/87/62/30/630876230.db2.gz IDUYEQVMDQCJPG-UHFFFAOYSA-N 0 0 178.206 2.536 10 30 AFEERN C#CCCCOc1cc(F)ccc1C 230402870 630878319 /nfs/dbraw/zinc/87/83/19/630878319.db2.gz CEMIKSQHHGSJIF-UHFFFAOYSA-N 0 0 192.233 2.926 10 30 AFEERN C=CCCCC(=O)OC1CCCC1 137347390 630878657 /nfs/dbraw/zinc/87/86/57/630878657.db2.gz ASUBZOCHWDSXIN-UHFFFAOYSA-N 0 0 182.263 2.829 10 30 AFEERN C=CCCCOC(=O)[C@@H](C)CC 230620215 630880142 /nfs/dbraw/zinc/88/01/42/630880142.db2.gz DJRBWQUCIODXSA-VIFPVBQESA-N 0 0 170.252 2.542 10 30 AFEERN C=CCCCOC(=O)[C@H](C)CC 230620208 630880309 /nfs/dbraw/zinc/88/03/09/630880309.db2.gz DJRBWQUCIODXSA-SECBINFHSA-N 0 0 170.252 2.542 10 30 AFEERN C=CC(C)(C)CCNC(=O)OC(C)C 701881087 630885046 /nfs/dbraw/zinc/88/50/46/630885046.db2.gz KNERDXOHITVLSP-UHFFFAOYSA-N 0 0 199.294 2.723 10 30 AFEERN C=CC(C)(C)CCNC(=O)OCCC 701917757 630885337 /nfs/dbraw/zinc/88/53/37/630885337.db2.gz ARFJCRQXQDQSHP-UHFFFAOYSA-N 0 0 199.294 2.725 10 30 AFEERN N#Cc1cccc(NCc2ccoc2)c1 63046630 630887305 /nfs/dbraw/zinc/88/73/05/630887305.db2.gz IITLXWRAUPNEKR-UHFFFAOYSA-N 0 0 198.225 2.763 10 30 AFEERN C#CCC1(OC(=O)[C@H](C)CC)CCC1 788081136 630889024 /nfs/dbraw/zinc/88/90/24/630889024.db2.gz YWPPBJSKWNUMOQ-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCC1(OC(=O)[C@@H](C)CC)CCC1 788081134 630889195 /nfs/dbraw/zinc/88/91/95/630889195.db2.gz YWPPBJSKWNUMOQ-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C=C(C)COC(=O)C1(C2CC2)CCC1 923334444 630894880 /nfs/dbraw/zinc/89/48/80/630894880.db2.gz IAEMFXLBADGGGC-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCCOC(=O)C1(C2CC2)CCC1 923336221 630895080 /nfs/dbraw/zinc/89/50/80/630895080.db2.gz DWLCWVSGPVQUIL-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN C#C[C@H](C)OC(=O)C(C)(C)CC(C)C 753415561 630908295 /nfs/dbraw/zinc/90/82/95/630908295.db2.gz BKFSDWIWXYUYFE-JTQLQIEISA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](C)OC(=O)C(C)(C)CC(C)C 753415564 630908380 /nfs/dbraw/zinc/90/83/80/630908380.db2.gz BKFSDWIWXYUYFE-SNVBAGLBSA-N 0 0 196.290 2.624 10 30 AFEERN C#CCOC(=O)C(C)(C)CCCCC 753399564 630908424 /nfs/dbraw/zinc/90/84/24/630908424.db2.gz FWMPPFYJXYZWKK-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN CC(C)C[C@H](C)OC(=O)C(C)(C)C#N 764580934 630911423 /nfs/dbraw/zinc/91/14/23/630911423.db2.gz GRRPTVKFYBGLLW-VIFPVBQESA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C[C@@H](C)OC(=O)C(C)(C)C#N 764580932 630910917 /nfs/dbraw/zinc/91/09/17/630910917.db2.gz GRRPTVKFYBGLLW-SECBINFHSA-N 0 0 197.278 2.514 10 30 AFEERN CC#CCCCC(=O)OC1CCCC1 767049613 630912095 /nfs/dbraw/zinc/91/20/95/630912095.db2.gz CJZYCDFWNSVSRC-UHFFFAOYSA-N 0 0 194.274 2.666 10 30 AFEERN C1CCC(ON=C2CCCOC2)CC1 777459220 630916091 /nfs/dbraw/zinc/91/60/91/630916091.db2.gz NFTGLEYSCAFCCL-UHFFFAOYSA-N 0 0 197.278 2.502 10 30 AFEERN CCON=Cc1ccc([C@@H]2C[C@@H]2C)o1 767462957 630912973 /nfs/dbraw/zinc/91/29/73/630912973.db2.gz DPCVCZQFSNWFAO-WCBMZHEXSA-N 0 0 193.246 2.773 10 30 AFEERN CCON=C1C2CC3CC(C2)CC1C3 767462150 630913305 /nfs/dbraw/zinc/91/33/05/630913305.db2.gz GDKFFIZBMAMHHV-UHFFFAOYSA-N 0 0 193.290 2.835 10 30 AFEERN CON=C1CCCCc2ccccc21 767463756 630913390 /nfs/dbraw/zinc/91/33/90/630913390.db2.gz ICINQYQOXDDQGJ-UHFFFAOYSA-N 0 0 189.258 2.764 10 30 AFEERN CCON=Cc1c(C)cc(C)cc1C 767461504 630913473 /nfs/dbraw/zinc/91/34/73/630913473.db2.gz CDGOLEGLYOUUSF-UHFFFAOYSA-N 0 0 191.274 2.982 10 30 AFEERN CCON=C1CCc2ccccc2C1 767463723 630913523 /nfs/dbraw/zinc/91/35/23/630913523.db2.gz GCYIAHYLWWCNJR-UHFFFAOYSA-N 0 0 189.258 2.568 10 30 AFEERN CCON=Cc1ccc([C@H]2C[C@H]2C)o1 767462956 630913526 /nfs/dbraw/zinc/91/35/26/630913526.db2.gz DPCVCZQFSNWFAO-SCZZXKLOSA-N 0 0 193.246 2.773 10 30 AFEERN CCON=Cc1ccc([C@H]2C[C@@H]2C)o1 767462958 630913653 /nfs/dbraw/zinc/91/36/53/630913653.db2.gz DPCVCZQFSNWFAO-WPRPVWTQSA-N 0 0 193.246 2.773 10 30 AFEERN CCON=Cc1ccc([C@@H]2C[C@H]2C)o1 767462955 630913709 /nfs/dbraw/zinc/91/37/09/630913709.db2.gz DPCVCZQFSNWFAO-PSASIEDQSA-N 0 0 193.246 2.773 10 30 AFEERN CCON=C(C)c1cc(F)ccc1F 767463695 630913810 /nfs/dbraw/zinc/91/38/10/630913810.db2.gz FXVUMGSGJTUNBL-UHFFFAOYSA-N 0 0 199.200 2.725 10 30 AFEERN CCC(COC)=NOC1CCCCC1 777456844 630915874 /nfs/dbraw/zinc/91/58/74/630915874.db2.gz HXWYRNBJTKRUAL-UHFFFAOYSA-N 0 0 199.294 2.748 10 30 AFEERN COCCCCN=Nc1ccccc1 777418019 630916179 /nfs/dbraw/zinc/91/61/79/630916179.db2.gz GISLUBOPARYGJX-UHFFFAOYSA-N 0 0 192.262 2.511 10 30 AFEERN CC(C)(C)CCC(=O)OC(C)(C)C#N 779226403 630916661 /nfs/dbraw/zinc/91/66/61/630916661.db2.gz PQFFREIYFRCSSB-UHFFFAOYSA-N 0 0 197.278 2.658 10 30 AFEERN CCCCCCC(=O)OC(C)(C)C#N 779226416 630916739 /nfs/dbraw/zinc/91/67/39/630916739.db2.gz PWWXUOPKRKXYQU-UHFFFAOYSA-N 0 0 197.278 2.802 10 30 AFEERN C=CCCCC(=O)OC[C@H](C)C1CC1 789616521 630920320 /nfs/dbraw/zinc/92/03/20/630920320.db2.gz ZLXDOTQYBWOYDC-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCCC(=O)OC[C@@H](C)C1CC1 789616522 630920864 /nfs/dbraw/zinc/92/08/64/630920864.db2.gz ZLXDOTQYBWOYDC-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)c1c(C)coc1C 792762576 630925401 /nfs/dbraw/zinc/92/54/01/630925401.db2.gz GHNWKDRCPQZYRD-UHFFFAOYSA-N 0 0 194.230 2.629 10 30 AFEERN C=C[C@@H](C)OC(=O)c1c(C)coc1C 793276646 630926514 /nfs/dbraw/zinc/92/65/14/630926514.db2.gz RBRJPLQBKLIDOU-MRVPVSSYSA-N 0 0 194.230 2.628 10 30 AFEERN C=C[C@H](C)OC(=O)c1c(C)coc1C 793276649 630926745 /nfs/dbraw/zinc/92/67/45/630926745.db2.gz RBRJPLQBKLIDOU-QMMMGPOBSA-N 0 0 194.230 2.628 10 30 AFEERN CO[C@@H]1CCCC(=NOCC(C)C)C1 794523423 630928193 /nfs/dbraw/zinc/92/81/93/630928193.db2.gz ODUHFLMJCOKJCS-LLVKDONJSA-N 0 0 199.294 2.604 10 30 AFEERN CC#CCOc1ccc2cc[nH]c2c1 795229702 630928292 /nfs/dbraw/zinc/92/82/92/630928292.db2.gz BZZJUOGSHNKYGG-UHFFFAOYSA-N 0 0 185.226 2.570 10 30 AFEERN CO[C@H]1CCCC(=NOCC(C)C)C1 794523424 630928597 /nfs/dbraw/zinc/92/85/97/630928597.db2.gz ODUHFLMJCOKJCS-NSHDSACASA-N 0 0 199.294 2.604 10 30 AFEERN C=C(C)CCON=C1CCCOCC1 795211877 630928663 /nfs/dbraw/zinc/92/86/63/630928663.db2.gz HJXAJJAOVYNRCC-UHFFFAOYSA-N 0 0 197.278 2.526 10 30 AFEERN C#CCCOc1ccc2cc[nH]c2c1 795230246 630928716 /nfs/dbraw/zinc/92/87/16/630928716.db2.gz HZYSXHLPWIECAP-UHFFFAOYSA-N 0 0 185.226 2.570 10 30 AFEERN COCCCON=C1CCC(C)(C)C1 795055024 630928844 /nfs/dbraw/zinc/92/88/44/630928844.db2.gz DZWATHJKUGULLO-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN C=C(C)CCON=C(N)C1CCCC1 795206558 630929263 /nfs/dbraw/zinc/92/92/63/630929263.db2.gz PYBQOAQOQZJCLB-UHFFFAOYSA-N 0 0 196.294 2.641 10 30 AFEERN CC#CCCOc1ccc2cc[nH]c2c1 795232557 630929637 /nfs/dbraw/zinc/92/96/37/630929637.db2.gz YVPZSEKPHHVSEB-UHFFFAOYSA-N 0 0 199.253 2.960 10 30 AFEERN C#CCCCOc1ccc2cc[nH]c2c1 795230117 630929669 /nfs/dbraw/zinc/92/96/69/630929669.db2.gz GQSZSZVCAOWOOP-UHFFFAOYSA-N 0 0 199.253 2.960 10 30 AFEERN C=C[C@H](OC(=O)[C@H]1C[C@@H]1C)C(C)(C)C 798907181 630931199 /nfs/dbraw/zinc/93/11/99/630931199.db2.gz WFNFOSFVVSYRFP-GUBZILKMSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@@H](OC(=O)C1CCC1)C(C)(C)C 798906573 630931227 /nfs/dbraw/zinc/93/12/27/630931227.db2.gz NLYNIIISFQGQDZ-SNVBAGLBSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](OC(=O)CC1CC1)C(C)(C)C 798902892 630931299 /nfs/dbraw/zinc/93/12/99/630931299.db2.gz MCJVKKZFBJMUBM-JTQLQIEISA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](OC(=O)[C@H]1C[C@@H]1C)C(C)(C)C 798907182 630931452 /nfs/dbraw/zinc/93/14/52/630931452.db2.gz WFNFOSFVVSYRFP-LPEHRKFASA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@H](OC(=O)[C@@H]1C[C@H]1C)C(C)(C)C 798903323 630931479 /nfs/dbraw/zinc/93/14/79/630931479.db2.gz WFNFOSFVVSYRFP-BBBLOLIVSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@@H](OC(=O)[C@@H]1C[C@H]1C)C(C)(C)C 798903324 630931515 /nfs/dbraw/zinc/93/15/15/630931515.db2.gz WFNFOSFVVSYRFP-OPRDCNLKSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@@H](OC(=O)CC1CC1)C(C)(C)C 798902893 630931645 /nfs/dbraw/zinc/93/16/45/630931645.db2.gz MCJVKKZFBJMUBM-SNVBAGLBSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](OC(=O)C1CCC1)C(C)(C)C 798906572 630931678 /nfs/dbraw/zinc/93/16/78/630931678.db2.gz NLYNIIISFQGQDZ-JTQLQIEISA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(C)(C)C 798907180 630931720 /nfs/dbraw/zinc/93/17/20/630931720.db2.gz WFNFOSFVVSYRFP-AEJSXWLSSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@H](OC(=O)[C@H]1C[C@H]1C)C(C)(C)C 798907183 630931876 /nfs/dbraw/zinc/93/18/76/630931876.db2.gz WFNFOSFVVSYRFP-UTLUCORTSA-N 0 0 196.290 2.786 10 30 AFEERN CCC/C=C/COC(=O)CCCC#N 813906948 630935506 /nfs/dbraw/zinc/93/55/06/630935506.db2.gz HIQRNZLXWMHTCT-QPJJXVBHSA-N 0 0 195.262 2.580 10 30 AFEERN CCC/C=C\COC(=O)CCCC#N 813906941 630936252 /nfs/dbraw/zinc/93/62/52/630936252.db2.gz HIQRNZLXWMHTCT-DAXSKMNVSA-N 0 0 195.262 2.580 10 30 AFEERN CC1(C)OCCC1=NOC1CCCC1 814893968 630936256 /nfs/dbraw/zinc/93/62/56/630936256.db2.gz GKJLWSOLUDQATG-UHFFFAOYSA-N 0 0 197.278 2.501 10 30 AFEERN C#CCCCC(=O)OC/C=C/CCC 813907874 630936368 /nfs/dbraw/zinc/93/63/68/630936368.db2.gz STXCEEPWPSVEOI-VQHVLOKHSA-N 0 0 194.274 2.689 10 30 AFEERN C#CCCCC(=O)OC/C=C\CCC 813907873 630936496 /nfs/dbraw/zinc/93/64/96/630936496.db2.gz STXCEEPWPSVEOI-CLFYSBASSA-N 0 0 194.274 2.689 10 30 AFEERN CCC(=NOC1CCC1)c1ccco1 814936262 630936719 /nfs/dbraw/zinc/93/67/19/630936719.db2.gz HIMJIIJBUFQORE-UHFFFAOYSA-N 0 0 193.246 2.963 10 30 AFEERN CC(C)CCC=NOC1CCOCC1 814906135 630936832 /nfs/dbraw/zinc/93/68/32/630936832.db2.gz HHRDCPFYAQMESZ-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN C=CCC(C)(C)COC(=O)C1(C)CC1 814004492 630937167 /nfs/dbraw/zinc/93/71/67/630937167.db2.gz SKFHVXJSBCDNJP-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C#CCCCSc1ncccc1F 830002495 630947245 /nfs/dbraw/zinc/94/72/45/630947245.db2.gz LKCCSHXXHLJVDI-UHFFFAOYSA-N 0 0 195.262 2.726 10 30 AFEERN C=C1[C@@H](OC(C)=O)C[C@H]2C[C@@H]1C2(C)C 5166682 630951318 /nfs/dbraw/zinc/95/13/18/630951318.db2.gz UDBAGFUFASPUFS-VWYCJHECSA-N 0 0 194.274 2.540 10 30 AFEERN CC(C)[C@H](C)OC(=O)C#CC(C)(C)C 849802306 630967406 /nfs/dbraw/zinc/96/74/06/630967406.db2.gz MMJHNFLYQCAUGU-JTQLQIEISA-N 0 0 196.290 2.624 10 30 AFEERN CC(C)[C@@H](C)OC(=O)C#CC(C)(C)C 849802307 630968826 /nfs/dbraw/zinc/96/88/26/630968826.db2.gz MMJHNFLYQCAUGU-SNVBAGLBSA-N 0 0 196.290 2.624 10 30 AFEERN C=C(CC)COC(=O)[C@H]1CCC1(C)C 850070780 630969494 /nfs/dbraw/zinc/96/94/94/630969494.db2.gz LVLGJZIPBLMSDD-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)COC(=O)[C@H]1CCC1(C)C 850068858 630969859 /nfs/dbraw/zinc/96/98/59/630969859.db2.gz VGMOQRGLTJXNDY-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCCOC(=O)[C@@H]1CCC1(C)C 850070978 630970081 /nfs/dbraw/zinc/97/00/81/630970081.db2.gz WINQXJQOMLCGGW-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=C(CC)COC(=O)[C@@H]1CCC1(C)C 850070779 630970485 /nfs/dbraw/zinc/97/04/85/630970485.db2.gz LVLGJZIPBLMSDD-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=CCOC(=O)[C@@]1(C)CC=C(C)CC1 850096699 630970687 /nfs/dbraw/zinc/97/06/87/630970687.db2.gz PFYYAIHWQLGLTB-LBPRGKRZSA-N 0 0 194.274 2.852 10 30 AFEERN C=C(C)CCOC(=O)[C@@H]1CCC1(C)C 850068052 630970903 /nfs/dbraw/zinc/97/09/03/630970903.db2.gz BUAUCWUFCVDLQK-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)[C@H]1CCC1(C)C 850068431 630971268 /nfs/dbraw/zinc/97/12/68/630971268.db2.gz HBLLWEREUUEGGK-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C=C(C)COC(=O)[C@@H]1CCC1(C)C 850068859 630971352 /nfs/dbraw/zinc/97/13/52/630971352.db2.gz VGMOQRGLTJXNDY-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=C(C)CCOC(=O)[C@H]1CCC1(C)C 850068057 630971566 /nfs/dbraw/zinc/97/15/66/630971566.db2.gz BUAUCWUFCVDLQK-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCOC(=O)[C@]1(C)CC=C(C)CC1 850096698 630971727 /nfs/dbraw/zinc/97/17/27/630971727.db2.gz PFYYAIHWQLGLTB-GFCCVEGCSA-N 0 0 194.274 2.852 10 30 AFEERN C=CCCCOC(=O)[C@H]1CCC1(C)C 850070980 630971912 /nfs/dbraw/zinc/97/19/12/630971912.db2.gz WINQXJQOMLCGGW-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)[C@@H]1CCC1(C)C 850068432 630971958 /nfs/dbraw/zinc/97/19/58/630971958.db2.gz HBLLWEREUUEGGK-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=CCOC(=O)[C@@H]1CCCC2(CC2)C1 850205255 630972944 /nfs/dbraw/zinc/97/29/44/630972944.db2.gz BRJGPORYFSVWKR-SNVBAGLBSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCOC(=O)[C@H]1CCCC2(CC2)C1 850205253 630973963 /nfs/dbraw/zinc/97/39/63/630973963.db2.gz BRJGPORYFSVWKR-JTQLQIEISA-N 0 0 194.274 2.686 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H]1CCC1(C)C 850926769 630975641 /nfs/dbraw/zinc/97/56/41/630975641.db2.gz RXRGDCFGAVGTMD-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H]1CCC1(C)C 850926770 630975695 /nfs/dbraw/zinc/97/56/95/630975695.db2.gz RXRGDCFGAVGTMD-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1CCC1(C)C 850926772 630975809 /nfs/dbraw/zinc/97/58/09/630975809.db2.gz RXRGDCFGAVGTMD-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@H]1CCC1(C)C 850926771 630975912 /nfs/dbraw/zinc/97/59/12/630975912.db2.gz RXRGDCFGAVGTMD-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCCC(=O)OCC(F)(F)CC 851490053 630976864 /nfs/dbraw/zinc/97/68/64/630976864.db2.gz ALJARXDKOVFLIT-UHFFFAOYSA-N 0 0 192.205 2.541 10 30 AFEERN C#C[C@H]1CCCC[C@H]1OC(=O)CCC 851533221 630976896 /nfs/dbraw/zinc/97/68/96/630976896.db2.gz WJNMVVJJBWCGLQ-WDEREUQCSA-N 0 0 194.274 2.522 10 30 AFEERN C=CC(C)(C)CCOC(=O)C1CCC1 851298499 630976961 /nfs/dbraw/zinc/97/69/61/630976961.db2.gz DYEAZLCOGYKPIU-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C#C[C@H]1CCCC[C@@H]1OC(=O)CCC 851533219 630977000 /nfs/dbraw/zinc/97/70/00/630977000.db2.gz WJNMVVJJBWCGLQ-QWRGUYRKSA-N 0 0 194.274 2.522 10 30 AFEERN C=CCCC(=O)OC[C@@H]1C[C@@H]2C[C@@H]2C1 851414787 630977242 /nfs/dbraw/zinc/97/72/42/630977242.db2.gz FMFHJDBKTPCUJZ-RTCCRHLQSA-N 0 0 194.274 2.542 10 30 AFEERN C#C[C@@H]1CCCC[C@@H]1OC(=O)CCC 851533218 630977873 /nfs/dbraw/zinc/97/78/73/630977873.db2.gz WJNMVVJJBWCGLQ-MNOVXSKESA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@@H]1CCCC[C@H]1OC(=O)CCC 851533216 630978924 /nfs/dbraw/zinc/97/89/24/630978924.db2.gz WJNMVVJJBWCGLQ-GHMZBOCLSA-N 0 0 194.274 2.522 10 30 AFEERN COC1(C(C)=NOCC(C)C)CCC1 853322897 630984161 /nfs/dbraw/zinc/98/41/61/630984161.db2.gz HWCPYLFACGDKBV-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)CON=C[C@H]1C[C@@H]2C[C@@H]2C1 853322946 630984193 /nfs/dbraw/zinc/98/41/93/630984193.db2.gz JBKWMEWNDXQDNF-JGPRNRPPSA-N 0 0 181.279 2.691 10 30 AFEERN C=C(C)CON=C1CCCSCC1 853369270 630984277 /nfs/dbraw/zinc/98/42/77/630984277.db2.gz JOISHRGWCUHCFH-UHFFFAOYSA-N 0 0 199.319 2.852 10 30 AFEERN CC(C)CON=C1CCCC12CC2 853323143 630984463 /nfs/dbraw/zinc/98/44/63/630984463.db2.gz REMYBHZHNQJZHC-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C=C[C@](C)(CC)C(=O)OC[C@@H]1C[C@@H]1C 859651201 631001966 /nfs/dbraw/zinc/00/19/66/631001966.db2.gz JNIUJQPAEIUFQX-JBLDHEPKSA-N 0 0 196.290 2.788 10 30 AFEERN C=C[C@](C)(CC)C(=O)OC[C@@H]1C[C@H]1C 859651203 631002193 /nfs/dbraw/zinc/00/21/93/631002193.db2.gz JNIUJQPAEIUFQX-JFGNBEQYSA-N 0 0 196.290 2.788 10 30 AFEERN Cl/C=C\CON=C[C@@H]1CC12CC2 863111930 631004490 /nfs/dbraw/zinc/00/44/90/631004490.db2.gz HZDUZWBOLFXQKN-XPHIKFSTSA-N 0 0 185.654 2.541 10 30 AFEERN Cl/C=C/CON=C[C@H]1CC12CC2 863111927 631004734 /nfs/dbraw/zinc/00/47/34/631004734.db2.gz HZDUZWBOLFXQKN-WMBHSTBUSA-N 0 0 185.654 2.541 10 30 AFEERN Cl/C=C/CON=C[C@@H]1CC12CC2 863111909 631004867 /nfs/dbraw/zinc/00/48/67/631004867.db2.gz HZDUZWBOLFXQKN-LVKJKWKESA-N 0 0 185.654 2.541 10 30 AFEERN Cl/C=C\CON=C[C@H]1CC12CC2 863111932 631005051 /nfs/dbraw/zinc/00/50/51/631005051.db2.gz HZDUZWBOLFXQKN-ZPLORFEQSA-N 0 0 185.654 2.541 10 30 AFEERN C=C/C=C\CCON=CC1CC1 883009408 631012183 /nfs/dbraw/zinc/01/21/83/631012183.db2.gz GYFJBJUJOXWRRP-WTCRSNQBSA-N 0 0 165.236 2.531 10 30 AFEERN C=C/C=C/CCON=CC1CC1 883009407 631012708 /nfs/dbraw/zinc/01/27/08/631012708.db2.gz GYFJBJUJOXWRRP-BIQUJXHCSA-N 0 0 165.236 2.531 10 30 AFEERN C=CCCOC(=O)C[C@H]1CC=CCC1 924244488 631029385 /nfs/dbraw/zinc/02/93/85/631029385.db2.gz OCVZFSRDOKKSRJ-NSHDSACASA-N 0 0 194.274 2.852 10 30 AFEERN C=C(C)CCOC(=O)C1(C)CC=CC1 924202607 631029406 /nfs/dbraw/zinc/02/94/06/631029406.db2.gz WABKIGVJOGVWRH-UHFFFAOYSA-N 0 0 194.274 2.852 10 30 AFEERN C=CC[C@H](C)OC(=O)C1(C)CC=CC1 924204590 631029582 /nfs/dbraw/zinc/02/95/82/631029582.db2.gz NJLAESLTELKNKD-JTQLQIEISA-N 0 0 194.274 2.851 10 30 AFEERN C=C(CC)COC(=O)C1(C)CC=CC1 924203912 631030016 /nfs/dbraw/zinc/03/00/16/631030016.db2.gz YBBRKVUTAWOJDZ-UHFFFAOYSA-N 0 0 194.274 2.852 10 30 AFEERN C=CCCOC(=O)C[C@@H]1CC=CCC1 924244487 631031246 /nfs/dbraw/zinc/03/12/46/631031246.db2.gz OCVZFSRDOKKSRJ-LLVKDONJSA-N 0 0 194.274 2.852 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1(C)CC=CC1 924204591 631031305 /nfs/dbraw/zinc/03/13/05/631031305.db2.gz NJLAESLTELKNKD-SNVBAGLBSA-N 0 0 194.274 2.851 10 30 AFEERN C=CCOC(=O)C1(CCCC)CC1 924425063 631031969 /nfs/dbraw/zinc/03/19/69/631031969.db2.gz LNKMXJXMGWRGSG-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)CCOC(=O)[C@@]1(C)C=CCC1 924409338 631032654 /nfs/dbraw/zinc/03/26/54/631032654.db2.gz XGUZSHPVBZKPLF-LBPRGKRZSA-N 0 0 194.274 2.852 10 30 AFEERN C=C(C)CCOC(=O)[C@]1(C)C=CCC1 924409337 631033003 /nfs/dbraw/zinc/03/30/03/631033003.db2.gz XGUZSHPVBZKPLF-GFCCVEGCSA-N 0 0 194.274 2.852 10 30 AFEERN C=CCSC[C@@H](O)c1ccccc1 34618929 631071675 /nfs/dbraw/zinc/07/16/75/631071675.db2.gz BZARXLYMRDNOCB-LLVKDONJSA-N 0 0 194.299 2.639 10 30 AFEERN C=CCSC[C@H](O)c1ccccc1 34618927 631072426 /nfs/dbraw/zinc/07/24/26/631072426.db2.gz BZARXLYMRDNOCB-NSHDSACASA-N 0 0 194.299 2.639 10 30 AFEERN Cc1ccc(Cl)cc1CCC=O 71499246 524727706 /nfs/dbraw/zinc/72/77/06/524727706.db2.gz AJVQZJYIGKQBOP-UHFFFAOYSA-N 0 0 182.650 2.780 10 30 AFEERN C=C[C@H](CC)CC(=O)N1CCCCC1 929098670 631079825 /nfs/dbraw/zinc/07/98/25/631079825.db2.gz DGFODODYWIRFTI-LLVKDONJSA-N 0 0 195.306 2.601 10 30 AFEERN C=C[C@@H](CC)CC(=O)N1CCCCC1 929098671 631081061 /nfs/dbraw/zinc/08/10/61/631081061.db2.gz DGFODODYWIRFTI-NSHDSACASA-N 0 0 195.306 2.601 10 30 AFEERN C=CCNC(=O)C(C)(C)CC(C)(C)C 929169147 631082503 /nfs/dbraw/zinc/08/25/03/631082503.db2.gz UZOZOLDWCHGEOB-UHFFFAOYSA-N 0 0 197.322 2.751 10 30 AFEERN C=CC1(CC(=O)NCC)CCCCC1 929164564 631083313 /nfs/dbraw/zinc/08/33/13/631083313.db2.gz MTLJPMGGDSSBRX-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CC1(CC(=O)N(C)C)CCCCC1 929811430 631104475 /nfs/dbraw/zinc/10/44/75/631104475.db2.gz AUXCVLYDKSZEBZ-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C#CCCCCCCn1ccnc1C 930097912 631107269 /nfs/dbraw/zinc/10/72/69/631107269.db2.gz STLRSCDVZJZYLT-UHFFFAOYSA-N 0 0 190.290 2.775 10 30 AFEERN C=CCCCCN1CC[C@H]1C(F)F 931424435 631123970 /nfs/dbraw/zinc/12/39/70/631123970.db2.gz BNCZHINTSYWUBK-VIFPVBQESA-N 0 0 189.249 2.682 10 30 AFEERN C=CCCCCN1CC[C@@H]1C(F)F 931424434 631125090 /nfs/dbraw/zinc/12/50/90/631125090.db2.gz BNCZHINTSYWUBK-SECBINFHSA-N 0 0 189.249 2.682 10 30 AFEERN C#CCCCCCCN(CC)OCC 931570375 631126365 /nfs/dbraw/zinc/12/63/65/631126365.db2.gz JOJDSTLGRGNXSL-UHFFFAOYSA-N 0 0 197.322 2.844 10 30 AFEERN C=C(C)CN(C)C1(C(F)(F)F)CC1 932297230 631130807 /nfs/dbraw/zinc/13/08/07/631130807.db2.gz ZTCDPCVSJJJQET-UHFFFAOYSA-N 0 0 193.212 2.589 10 30 AFEERN C=CCCN(C)C1(C(F)(F)F)CC1 932295667 631131223 /nfs/dbraw/zinc/13/12/23/631131223.db2.gz GUWBOFQOWRRKQZ-UHFFFAOYSA-N 0 0 193.212 2.589 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)c1ccccc1 39148329 631146162 /nfs/dbraw/zinc/14/61/62/631146162.db2.gz QDWZSKYMUBIRDQ-SNVBAGLBSA-N 0 0 190.242 2.808 10 30 AFEERN C=C(C)[C@H](C)OC(=O)c1ccccc1 39148330 631146251 /nfs/dbraw/zinc/14/62/51/631146251.db2.gz QDWZSKYMUBIRDQ-JTQLQIEISA-N 0 0 190.242 2.808 10 30 AFEERN C=C[C@@H](C)NC(=O)C1(CCCC)CC1 934526779 631147815 /nfs/dbraw/zinc/14/78/15/631147815.db2.gz PJPSFOPDPWWOEL-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=C[C@H](C)NC(=O)C1(CCCC)CC1 934526778 631148214 /nfs/dbraw/zinc/14/82/14/631148214.db2.gz PJPSFOPDPWWOEL-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)CN(C)C(=O)CCC1(C)CC1 935273354 631150439 /nfs/dbraw/zinc/15/04/39/631150439.db2.gz GHJTYQOIOIVKSF-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCN(C)C(=O)C[C@H](C=C)CC 935571287 631151352 /nfs/dbraw/zinc/15/13/52/631151352.db2.gz HOLGVDSUTORFJO-LLVKDONJSA-N 0 0 195.306 2.623 10 30 AFEERN C=CCN(C)C(=O)C1(CCCC)CC1 935481095 631151967 /nfs/dbraw/zinc/15/19/67/631151967.db2.gz ZQMMOUVHAZIHJD-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)CNC(=O)C1(CCCC)CC1 935482425 631152083 /nfs/dbraw/zinc/15/20/83/631152083.db2.gz DSJKWFMOTAWBPK-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCN(C)C(=O)C[C@@H](C=C)CC 935571288 631152201 /nfs/dbraw/zinc/15/22/01/631152201.db2.gz HOLGVDSUTORFJO-NSHDSACASA-N 0 0 195.306 2.623 10 30 AFEERN C=C(C)c1ccc([C@@H](C)O)cc1 80777396 631157121 /nfs/dbraw/zinc/15/71/21/631157121.db2.gz QUEAWDYCQUWGDD-SECBINFHSA-N 0 0 162.232 2.773 10 30 AFEERN C=C(C)c1ccc([C@H](C)O)cc1 80777394 631157420 /nfs/dbraw/zinc/15/74/20/631157420.db2.gz QUEAWDYCQUWGDD-VIFPVBQESA-N 0 0 162.232 2.773 10 30 AFEERN C=C[C@@H](CC)OC(=O)C(C)(C)C 196530463 631157943 /nfs/dbraw/zinc/15/79/43/631157943.db2.gz SVOSXUUWMVCOSV-QMMMGPOBSA-N 0 0 170.252 2.540 10 30 AFEERN CCCCCCC(=O)OC[C@@H](C)C#N 196407415 631158574 /nfs/dbraw/zinc/15/85/74/631158574.db2.gz RNLQTIDWJRCNMX-JTQLQIEISA-N 0 0 197.278 2.660 10 30 AFEERN C=C[C@H](CC)OC(=O)C(C)(C)C 196530454 631158923 /nfs/dbraw/zinc/15/89/23/631158923.db2.gz SVOSXUUWMVCOSV-MRVPVSSYSA-N 0 0 170.252 2.540 10 30 AFEERN CCCCCCC(=O)OC[C@H](C)C#N 196407421 631159028 /nfs/dbraw/zinc/15/90/28/631159028.db2.gz RNLQTIDWJRCNMX-SNVBAGLBSA-N 0 0 197.278 2.660 10 30 AFEERN CCC(=NO)c1ccc(CC)cc1 252426494 631165197 /nfs/dbraw/zinc/16/51/97/631165197.db2.gz UYMNDQCVFCSIGB-UHFFFAOYSA-N 0 0 177.247 2.837 10 30 AFEERN CCCCOc1ccc(C=NO)cc1 252364430 631165617 /nfs/dbraw/zinc/16/56/17/631165617.db2.gz FGQNHITXRKKVHZ-UHFFFAOYSA-N 0 0 193.246 2.674 10 30 AFEERN C=CCN(CC=C)C(=O)/C=C(\C)CC 253458940 631167244 /nfs/dbraw/zinc/16/72/44/631167244.db2.gz FOSWDYSZLSEBDT-ZHACJKMWSA-N 0 0 193.290 2.543 10 30 AFEERN C#CCN(C)c1ccc(F)c(Cl)c1 306188220 631168490 /nfs/dbraw/zinc/16/84/90/631168490.db2.gz ANHVFCBTGSSVBH-UHFFFAOYSA-N 0 0 197.640 2.549 10 30 AFEERN CCON=C1CCC(C)(C)CC1 306265550 631169931 /nfs/dbraw/zinc/16/99/31/631169931.db2.gz DEPYYUHCHNJHAE-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN C=CCNc1cccc(C)c1C(C)=O 306295608 631170263 /nfs/dbraw/zinc/17/02/63/631170263.db2.gz ZWRRGEXEBSNTTP-UHFFFAOYSA-N 0 0 189.258 2.796 10 30 AFEERN CSC1=CC(=O)CC(C)(C)S1 126029 525342249 /nfs/dbraw/zinc/34/22/49/525342249.db2.gz KICJUVXZIUOZHL-UHFFFAOYSA-N 0 0 188.317 2.675 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC#N 19424759 1224163516 /nfs/dbraw/zinc/16/35/16/1224163516.db2.gz LQGJYDISZJRZPB-UTUOFQBUSA-N 0 0 195.306 2.987 10 30 AFEERN CC(C)c1ccccc1NCC#N 20044483 1224163840 /nfs/dbraw/zinc/16/38/40/1224163840.db2.gz XIRHVIZSULCHCU-UHFFFAOYSA-N 0 0 174.247 2.745 10 30 AFEERN CC[C@@H](C)Oc1cccc(C#N)c1 20217331 1224164847 /nfs/dbraw/zinc/16/48/47/1224164847.db2.gz ZDVSRXXPNRNCNJ-SECBINFHSA-N 0 0 175.231 2.736 10 30 AFEERN CC[C@H](C)Oc1ccc(CC#N)cc1 20217328 1224164863 /nfs/dbraw/zinc/16/48/63/1224164863.db2.gz OKTIBWLJWLOVMU-JTQLQIEISA-N 0 0 189.258 2.930 10 30 AFEERN CC[C@H](C)Oc1cccc(C#N)c1 20217332 1224164890 /nfs/dbraw/zinc/16/48/90/1224164890.db2.gz ZDVSRXXPNRNCNJ-VIFPVBQESA-N 0 0 175.231 2.736 10 30 AFEERN CC[C@@H](C)Oc1ccc(CC#N)cc1 20217327 1224165167 /nfs/dbraw/zinc/16/51/67/1224165167.db2.gz OKTIBWLJWLOVMU-SNVBAGLBSA-N 0 0 189.258 2.930 10 30 AFEERN CC[C@@H](C)Oc1ccccc1C#N 20217333 1224165209 /nfs/dbraw/zinc/16/52/09/1224165209.db2.gz OATCNFQTVXUMPW-SECBINFHSA-N 0 0 175.231 2.736 10 30 AFEERN C=C[C@H](C)Oc1ccc(C(C)=O)cc1 52142213 1224170172 /nfs/dbraw/zinc/17/01/72/1224170172.db2.gz JGWPNFMKRHHFIM-VIFPVBQESA-N 0 0 190.242 2.843 10 30 AFEERN C=C[C@H](C)Oc1cccc(C(C)=O)c1 52142235 1224170303 /nfs/dbraw/zinc/17/03/03/1224170303.db2.gz XISXQGVOJFWXCI-VIFPVBQESA-N 0 0 190.242 2.843 10 30 AFEERN C=C[C@@H](C)Oc1ccc(CC#N)cc1 52142184 1224170322 /nfs/dbraw/zinc/17/03/22/1224170322.db2.gz UFSZZHIVRRDTLF-SNVBAGLBSA-N 0 0 187.242 2.706 10 30 AFEERN C=C[C@@H](C)Oc1ccc(C(C)=O)cc1 52142215 1224170520 /nfs/dbraw/zinc/17/05/20/1224170520.db2.gz JGWPNFMKRHHFIM-SECBINFHSA-N 0 0 190.242 2.843 10 30 AFEERN C=C[C@@H](C)Oc1cccc(C(C)=O)c1 52142239 1224170568 /nfs/dbraw/zinc/17/05/68/1224170568.db2.gz XISXQGVOJFWXCI-SECBINFHSA-N 0 0 190.242 2.843 10 30 AFEERN C=C[C@H](C)Oc1cccc(O)c1C 52143147 1224170620 /nfs/dbraw/zinc/17/06/20/1224170620.db2.gz KYESUFGIZSVGNX-QMMMGPOBSA-N 0 0 178.231 2.654 10 30 AFEERN C=C[C@@H](C)Oc1cccc(O)c1C 52143150 1224170650 /nfs/dbraw/zinc/17/06/50/1224170650.db2.gz KYESUFGIZSVGNX-MRVPVSSYSA-N 0 0 178.231 2.654 10 30 AFEERN C=C[C@H](C)Oc1ccc(CC#N)cc1 52142181 1224170706 /nfs/dbraw/zinc/17/07/06/1224170706.db2.gz UFSZZHIVRRDTLF-JTQLQIEISA-N 0 0 187.242 2.706 10 30 AFEERN CC(C)Oc1cccc(CCC#N)c1 62169914 1224171168 /nfs/dbraw/zinc/17/11/68/1224171168.db2.gz UHCWGYOWMGWDRJ-UHFFFAOYSA-N 0 0 189.258 2.930 10 30 AFEERN CCOc1cccc(CCC#N)c1 62169948 1224171183 /nfs/dbraw/zinc/17/11/83/1224171183.db2.gz CJNYBFNFUNCGOO-UHFFFAOYSA-N 0 0 175.231 2.541 10 30 AFEERN CC(C)Oc1ccccc1CCC#N 62169907 1224171235 /nfs/dbraw/zinc/17/12/35/1224171235.db2.gz FQDNNFLJJBUZOC-UHFFFAOYSA-N 0 0 189.258 2.930 10 30 AFEERN CC(C)Oc1ccc(CCC#N)cc1 62169912 1224171605 /nfs/dbraw/zinc/17/16/05/1224171605.db2.gz KFRGJJLGJVWPCE-UHFFFAOYSA-N 0 0 189.258 2.930 10 30 AFEERN CCOc1ccccc1CCC#N 62169923 1224171883 /nfs/dbraw/zinc/17/18/83/1224171883.db2.gz OWMWXFYYNNXCBI-UHFFFAOYSA-N 0 0 175.231 2.541 10 30 AFEERN CCCOc1ccc(CCC#N)cc1 62169930 1224171995 /nfs/dbraw/zinc/17/19/95/1224171995.db2.gz ZQJCMEZZXYTYSL-UHFFFAOYSA-N 0 0 189.258 2.932 10 30 AFEERN C=CCC(=O)c1ccc(F)cc1F 62773899 1224172769 /nfs/dbraw/zinc/17/27/69/1224172769.db2.gz XFFUQUFKAWFTKD-UHFFFAOYSA-N 0 0 182.169 2.724 10 30 AFEERN C=CCc1ccc(O)c(OC(C)C)c1 64633627 1224173662 /nfs/dbraw/zinc/17/36/62/1224173662.db2.gz ICVLUTHYXHYLPY-UHFFFAOYSA-N 0 0 192.258 2.908 10 30 in-vitro AFEERN C=CCc1cc(C(C)=O)ccc1OC 66117984 1224173718 /nfs/dbraw/zinc/17/37/18/1224173718.db2.gz ZVXHVEZSOIFVQD-UHFFFAOYSA-N 0 0 190.242 2.626 10 30 AFEERN C#CCNc1nc2ccccc2cc1C 63106129 1224173765 /nfs/dbraw/zinc/17/37/65/1224173765.db2.gz KLJYWQZLZHZXAS-UHFFFAOYSA-N 0 0 196.253 2.588 10 30 AFEERN Cc1cc(C#N)cc(C(C)C)c1 67802570 1224174086 /nfs/dbraw/zinc/17/40/86/1224174086.db2.gz UYVZNFRIHLCKCH-UHFFFAOYSA-N 0 0 159.232 2.990 10 30 AFEERN CCc1cc(CCC#N)ccc1OC 82530240 1224177671 /nfs/dbraw/zinc/17/76/71/1224177671.db2.gz NQICJGXEAINBLQ-UHFFFAOYSA-N 0 0 189.258 2.714 10 30 AFEERN Cc1nc2cc(CCCC#N)ccc2[nH]1 82589039 1224177971 /nfs/dbraw/zinc/17/79/71/1224177971.db2.gz KLYVNWWHAKTWAR-UHFFFAOYSA-N 0 0 199.257 2.718 10 30 AFEERN Cc1nc2ccc(CCC#N)cc2o1 82588109 1224178094 /nfs/dbraw/zinc/17/80/94/1224178094.db2.gz VIRLVRQPEWOERK-UHFFFAOYSA-N 0 0 186.214 2.592 10 30 AFEERN CCOc1ccc(CCC#N)cc1C 82530242 1224178385 /nfs/dbraw/zinc/17/83/85/1224178385.db2.gz WLZXUIFWBQEVIM-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN C=C[C@H](C)Oc1ccc(C#N)c(F)c1 87543610 1224180434 /nfs/dbraw/zinc/18/04/34/1224180434.db2.gz HESQTDUSYUPHJH-QMMMGPOBSA-N 0 0 191.205 2.651 10 30 AFEERN CC[C@H](C)Oc1ccc(C#N)c(F)c1 87543569 1224180507 /nfs/dbraw/zinc/18/05/07/1224180507.db2.gz NXJZWGFHOSDBHF-QMMMGPOBSA-N 0 0 193.221 2.875 10 30 AFEERN CC(C)[C@@H](C)Oc1ccccc1C#N 87469247 1224180542 /nfs/dbraw/zinc/18/05/42/1224180542.db2.gz AQUNYAUILIQZIL-SNVBAGLBSA-N 0 0 189.258 2.982 10 30 AFEERN CC[C@@H](C)Oc1ccc(C#N)c(F)c1 87543567 1224180546 /nfs/dbraw/zinc/18/05/46/1224180546.db2.gz NXJZWGFHOSDBHF-MRVPVSSYSA-N 0 0 193.221 2.875 10 30 AFEERN C=C[C@H](C)Oc1ccc(Cl)nc1 87543278 1224180577 /nfs/dbraw/zinc/18/05/77/1224180577.db2.gz KHUDFQWCXXJYCD-ZETCQYMHSA-N 0 0 183.638 2.688 10 30 AFEERN CC(C)[C@H](C)Oc1ccccc1C#N 87469248 1224180636 /nfs/dbraw/zinc/18/06/36/1224180636.db2.gz AQUNYAUILIQZIL-JTQLQIEISA-N 0 0 189.258 2.982 10 30 AFEERN C=C[C@@H](C)Oc1ccc(C#N)c(F)c1 87543611 1224180701 /nfs/dbraw/zinc/18/07/01/1224180701.db2.gz HESQTDUSYUPHJH-MRVPVSSYSA-N 0 0 191.205 2.651 10 30 AFEERN C=C[C@@H](C)Oc1ccc(Cl)nc1 87543280 1224180730 /nfs/dbraw/zinc/18/07/30/1224180730.db2.gz KHUDFQWCXXJYCD-SSDOTTSWSA-N 0 0 183.638 2.688 10 30 AFEERN C=C(C)CNc1ncc2ccccc2n1 159069610 1224190402 /nfs/dbraw/zinc/19/04/02/1224190402.db2.gz BUGFKFKPIZTJDZ-UHFFFAOYSA-N 0 0 199.257 2.618 10 30 AFEERN C#CCCCOc1cccnc1Cl 160831890 1224192219 /nfs/dbraw/zinc/19/22/19/1224192219.db2.gz BSCQJPPIRDIMIS-UHFFFAOYSA-N 0 0 195.649 2.527 10 30 AFEERN C#CCCCSC(C)C 161060792 1224192852 /nfs/dbraw/zinc/19/28/52/1224192852.db2.gz GAHNQUCAXUXFSE-UHFFFAOYSA-N 0 0 142.267 2.541 10 30 AFEERN C#CCCCSCCCC 161060617 1224192996 /nfs/dbraw/zinc/19/29/96/1224192996.db2.gz QCNMWROWSCNOSE-UHFFFAOYSA-N 0 0 156.294 2.933 10 30 AFEERN N#CCCc1coc2ccccc12 165155767 1224196989 /nfs/dbraw/zinc/19/69/89/1224196989.db2.gz GIYSJJVYZVYRIT-UHFFFAOYSA-N 0 0 171.199 2.889 10 30 AFEERN C=CCCCCOC(=O)CCC=C 196194291 1224203698 /nfs/dbraw/zinc/20/36/98/1224203698.db2.gz CACOEYQBHUKPKJ-UHFFFAOYSA-N 0 0 182.263 2.852 10 30 AFEERN C=CCON=C1CCC(C)CC1 196514763 1224204476 /nfs/dbraw/zinc/20/44/76/1224204476.db2.gz FGZNVAMHKXFEHW-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN CC(C)c1cc(F)cc(C#N)c1 197586926 1224206401 /nfs/dbraw/zinc/20/64/01/1224206401.db2.gz LTJDVPCZTKOIGR-UHFFFAOYSA-N 0 0 163.195 2.821 10 30 AFEERN C=CCc1cc(C)c(CO)cc1C 198856441 1224206950 /nfs/dbraw/zinc/20/69/50/1224206950.db2.gz DRLOFBDSICLHNW-UHFFFAOYSA-N 0 0 176.259 2.524 10 30 AFEERN C=CCc1cccc(Cl)c1N 199746978 1224208358 /nfs/dbraw/zinc/20/83/58/1224208358.db2.gz HCDMPANBINADBH-UHFFFAOYSA-N 0 0 167.639 2.651 10 30 AFEERN C=C(CC)C(=O)N(CCC)CCC 201396003 1224211575 /nfs/dbraw/zinc/21/15/75/1224211575.db2.gz DDSJRTNSPMNPTQ-UHFFFAOYSA-N 0 0 183.295 2.601 10 30 AFEERN C=CCCCCOC(C)C 202748934 1224213496 /nfs/dbraw/zinc/21/34/96/1224213496.db2.gz SUSIILHLATVSKV-UHFFFAOYSA-N 0 0 142.242 2.768 10 30 AFEERN C=C(C)c1cccc(CC#N)c1 213752271 1224216006 /nfs/dbraw/zinc/21/60/06/1224216006.db2.gz QGGRPKTUJMMGAM-UHFFFAOYSA-N 0 0 157.216 2.786 10 30 AFEERN Cc1cc(F)cc(CCC#N)c1 213841687 1224216801 /nfs/dbraw/zinc/21/68/01/1224216801.db2.gz DEZZPVIYNNIOCR-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN Cc1cscc1CCC#N 213677216 1224217081 /nfs/dbraw/zinc/21/70/81/1224217081.db2.gz FQFWSEQDEULSHM-UHFFFAOYSA-N 0 0 151.234 2.513 10 30 AFEERN CC(F)(F)c1ccc(CC#N)cc1 214255152 1224217464 /nfs/dbraw/zinc/21/74/64/1224217464.db2.gz VFRBSCFNAFAFFI-UHFFFAOYSA-N 0 0 181.185 2.864 10 30 AFEERN N#CCCc1cncc2ccccc12 214303631 1224217488 /nfs/dbraw/zinc/21/74/88/1224217488.db2.gz KCZZECUZGTXLSQ-UHFFFAOYSA-N 0 0 182.226 2.691 10 30 AFEERN N#CCCc1ccc(Cl)c(O)c1 214290450 1224218083 /nfs/dbraw/zinc/21/80/83/1224218083.db2.gz ZJBGPGBTHMGMMH-UHFFFAOYSA-N 0 0 181.622 2.502 10 30 AFEERN Cc1cccc(-c2ccc(C#N)nc2)c1 220257381 1224223247 /nfs/dbraw/zinc/22/32/47/1224223247.db2.gz UVDCQSURHUKDHU-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN C=C(C)c1nnc(-c2ccccc2)o1 231509837 1224231035 /nfs/dbraw/zinc/23/10/35/1224231035.db2.gz JDZMKYNSYWOSOQ-UHFFFAOYSA-N 0 0 186.214 2.770 10 30 AFEERN C=CCCCCCN1CCC[C@H]1C#N 232572162 1224234061 /nfs/dbraw/zinc/23/40/61/1224234061.db2.gz HUILLYZXWWONIJ-LBPRGKRZSA-N 0 0 192.306 2.721 10 30 AFEERN N#Cc1cc(OC2CCC2)ccc1F 238581588 1224236579 /nfs/dbraw/zinc/23/65/79/1224236579.db2.gz PFGQYWPWBJWMDI-UHFFFAOYSA-N 0 0 191.205 2.629 10 30 AFEERN N#Cc1ccc(-c2ccsc2)cn1 238576319 1224237039 /nfs/dbraw/zinc/23/70/39/1224237039.db2.gz ABBFZPGNRMJQOK-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN N#Cc1ccc(C2CCCC2)cn1 238574109 1224237128 /nfs/dbraw/zinc/23/71/28/1224237128.db2.gz OJIZTGNALNZLRP-UHFFFAOYSA-N 0 0 172.231 2.611 10 30 AFEERN N#CCCc1cc(O)cc(Cl)c1 306596849 1224267897 /nfs/dbraw/zinc/26/78/97/1224267897.db2.gz NAYBENGWNNPTQX-UHFFFAOYSA-N 0 0 181.622 2.502 10 30 AFEERN CCc1cc(CCC#N)ccc1C#N 306659398 1224271667 /nfs/dbraw/zinc/27/16/67/1224271667.db2.gz OXNAGATUOJTKGT-UHFFFAOYSA-N 0 0 184.242 2.577 10 30 AFEERN COc1cccc(CCC#N)c1Cl 307517954 1224287041 /nfs/dbraw/zinc/28/70/41/1224287041.db2.gz UOWSIWTZXLZESX-UHFFFAOYSA-N 0 0 195.649 2.805 10 30 AFEERN CCCC(CC)=NOCC 307827647 1224292534 /nfs/dbraw/zinc/29/25/34/1224292534.db2.gz HXASUWMSJKALIF-UHFFFAOYSA-N 0 0 143.230 2.589 10 30 AFEERN CCC(CC)NC(C#N)(CC)CC 308029776 1224293316 /nfs/dbraw/zinc/29/33/16/1224293316.db2.gz MRLBRBVHVZTEIZ-UHFFFAOYSA-N 0 0 182.311 2.847 10 30 AFEERN CC(C)[C@H](C#N)C=NOC(C)(C)C 308139477 1224294848 /nfs/dbraw/zinc/29/48/48/1224294848.db2.gz HOLOCDWBPDZFHW-SECBINFHSA-N 0 0 182.267 2.583 10 30 AFEERN CC(COC(C)C)=NOC(C)(C)C 308137741 1224295363 /nfs/dbraw/zinc/29/53/63/1224295363.db2.gz GMBCHXCFSULRFL-UHFFFAOYSA-N 0 0 187.283 2.602 10 30 AFEERN Cc1ccc(C=NOC(C)(C)C)o1 308357585 1224299366 /nfs/dbraw/zinc/29/93/66/1224299366.db2.gz BUGOBZFCYWUDNP-UHFFFAOYSA-N 0 0 181.235 2.737 10 30 AFEERN CC(C)(C)ON=C1CC[C@@H]1C1CC1 378868055 1224305944 /nfs/dbraw/zinc/30/59/44/1224305944.db2.gz GRMUREJHMTXQNZ-SECBINFHSA-N 0 0 181.279 2.978 10 30 AFEERN CC(C)(C)ON=C1CC[C@H]1C1CC1 378868056 1224306284 /nfs/dbraw/zinc/30/62/84/1224306284.db2.gz GRMUREJHMTXQNZ-VIFPVBQESA-N 0 0 181.279 2.978 10 30 AFEERN C=CCN(C(=O)OCCC)C(C)(C)C 379482691 1224316114 /nfs/dbraw/zinc/31/61/14/1224316114.db2.gz CQCQXUITIYWIGI-UHFFFAOYSA-N 0 0 199.294 2.820 10 30 AFEERN CC(C)(C)ON=C1CCC[C@H]2C[C@@H]12 382100725 1224321144 /nfs/dbraw/zinc/32/11/44/1224321144.db2.gz GKQUBSAUMHVZPC-DTWKUNHWSA-N 0 0 181.279 2.978 10 30 AFEERN N#CCCSCC[C@H]1CCCCO1 591133788 1224345571 /nfs/dbraw/zinc/34/55/71/1224345571.db2.gz UPRAJGQMUCYTNR-SNVBAGLBSA-N 0 0 199.319 2.592 10 30 AFEERN N#CCCSCC[C@@H]1CCCCO1 591133787 1224345599 /nfs/dbraw/zinc/34/55/99/1224345599.db2.gz UPRAJGQMUCYTNR-JTQLQIEISA-N 0 0 199.319 2.592 10 30 AFEERN C#CCCCCCn1cnc(C)c1C 686677714 1224349596 /nfs/dbraw/zinc/34/95/96/1224349596.db2.gz MTZQAFWZGXLVBP-UHFFFAOYSA-N 0 0 190.290 2.694 10 30 AFEERN C#CCCCCCSc1ncco1 686684599 1224350176 /nfs/dbraw/zinc/35/01/76/1224350176.db2.gz YKNGEDYVACJFSF-UHFFFAOYSA-N 0 0 195.287 2.960 10 30 AFEERN CCC(CC)CC(=O)OC(C)(C)C#N 779225948 1224353333 /nfs/dbraw/zinc/35/33/33/1224353333.db2.gz PTFJXULKZKNRBE-UHFFFAOYSA-N 0 0 197.278 2.658 10 30 AFEERN CCC(=CC(=O)OC(C)(C)C#N)CC 779223523 1224353362 /nfs/dbraw/zinc/35/33/62/1224353362.db2.gz TZZWQNUWWFFHFO-UHFFFAOYSA-N 0 0 195.262 2.578 10 30 AFEERN C=C(C)CCC(=O)O[C@@H](C)C1CC1 1127802442 1224367974 /nfs/dbraw/zinc/36/79/74/1224367974.db2.gz SLNSXMWQIODOKY-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@@H](C)OCCCCC#N 1205656152 1224393212 /nfs/dbraw/zinc/39/32/12/1224393212.db2.gz CDWHDLWAJFIHQS-SNVBAGLBSA-N 0 0 167.252 2.661 10 30 AFEERN C=CCC(CC=C)OCC1(C#N)CC1 1224952457 1224405552 /nfs/dbraw/zinc/40/55/52/1224405552.db2.gz LLZYLMPPFRBAME-UHFFFAOYSA-N 0 0 191.274 2.828 10 30 AFEERN C#C[C@@H](C)OCC1=CCCCC1 1224996060 1224407245 /nfs/dbraw/zinc/40/72/45/1224407245.db2.gz BFMMRSQZJJHGBZ-SNVBAGLBSA-N 0 0 164.248 2.525 10 30 AFEERN C#CCSc1nc(C(C)(C)C)co1 1307408042 1224431960 /nfs/dbraw/zinc/43/19/60/1224431960.db2.gz SPVYCQPAKLLWDK-UHFFFAOYSA-N 0 0 195.287 2.697 10 30 AFEERN CC(C)(C)ON=C1COC2(CCC2)C1 1328010527 1224437177 /nfs/dbraw/zinc/43/71/77/1224437177.db2.gz PXDGKQPGNARSTE-UHFFFAOYSA-N 0 0 197.278 2.501 10 30 AFEERN CC(=NOC(C)(C)C)[C@H]1CCCCO1 1329192014 1224443343 /nfs/dbraw/zinc/44/33/43/1224443343.db2.gz RLQSRVSCUMIKRI-SNVBAGLBSA-N 0 0 199.294 2.747 10 30 AFEERN CC(=NOC(C)(C)C)[C@@H]1CCCCO1 1329192013 1224443409 /nfs/dbraw/zinc/44/34/09/1224443409.db2.gz RLQSRVSCUMIKRI-JTQLQIEISA-N 0 0 199.294 2.747 10 30 AFEERN C=C[C@H](C)ON=Cc1cc(C)co1 1331977133 1224455181 /nfs/dbraw/zinc/45/51/81/1224455181.db2.gz TVARJALDYFLITL-VIFPVBQESA-N 0 0 179.219 2.513 10 30 AFEERN C=C[C@@H](C)ON=Cc1cc(C)co1 1331977129 1224455439 /nfs/dbraw/zinc/45/54/39/1224455439.db2.gz TVARJALDYFLITL-SECBINFHSA-N 0 0 179.219 2.513 10 30 AFEERN C=C(CC)C(=O)N[C@H](C)C(C)(C)C 1347797663 1224468134 /nfs/dbraw/zinc/46/81/34/1224468134.db2.gz IVUAQJLWOJDRKF-SECBINFHSA-N 0 0 183.295 2.503 10 30 AFEERN C=C(CC)C(=O)N1[C@@H](C)CCC[C@@H]1C 1351152163 1224470532 /nfs/dbraw/zinc/47/05/32/1224470532.db2.gz GBLUUUHJFXHHSQ-QWRGUYRKSA-N 0 0 195.306 2.742 10 30 AFEERN C=C(CC)C(=O)N1[C@H](C)CCC[C@H]1C 1351152161 1224470858 /nfs/dbraw/zinc/47/08/58/1224470858.db2.gz GBLUUUHJFXHHSQ-GHMZBOCLSA-N 0 0 195.306 2.742 10 30 AFEERN C=CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C 1440567655 1224472734 /nfs/dbraw/zinc/47/27/34/1224472734.db2.gz UESWVMRDXIDOPI-VHSXEESVSA-N 0 0 197.322 2.607 10 30 AFEERN C=CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C 1440567652 1224472789 /nfs/dbraw/zinc/47/27/89/1224472789.db2.gz UESWVMRDXIDOPI-UWVGGRQHSA-N 0 0 197.322 2.607 10 30 AFEERN C=C(CC)C(=O)Nc1ccccc1F 1440478050 1224473103 /nfs/dbraw/zinc/47/31/03/1224473103.db2.gz ZBWDSDYLILFTTM-UHFFFAOYSA-N 0 0 193.221 2.730 10 30 AFEERN C=CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C 1440567657 1224473280 /nfs/dbraw/zinc/47/32/80/1224473280.db2.gz UESWVMRDXIDOPI-ZJUUUORDSA-N 0 0 197.322 2.607 10 30 AFEERN C=CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C 1440567544 1224473590 /nfs/dbraw/zinc/47/35/90/1224473590.db2.gz UESWVMRDXIDOPI-NXEZZACHSA-N 0 0 197.322 2.607 10 30 AFEERN C=CCSc1ccc2n[nH]cc2c1 1459113740 1224475877 /nfs/dbraw/zinc/47/58/77/1224475877.db2.gz BUOGGBBAKRGKDQ-UHFFFAOYSA-N 0 0 190.271 2.841 10 30 AFEERN C=CCCSc1cccnc1C#N 1473031098 1224481320 /nfs/dbraw/zinc/48/13/20/1224481320.db2.gz INOYUUDFSURYLZ-UHFFFAOYSA-N 0 0 190.271 2.621 10 30 AFEERN C#CCOCCSCC1CCCC1 1473098327 1224481961 /nfs/dbraw/zinc/48/19/61/1224481961.db2.gz AKISHKDGFAHALS-UHFFFAOYSA-N 0 0 198.331 2.560 10 30 AFEERN C=C(CC)C(=O)Nc1ccc(F)cc1 1538675244 1224482546 /nfs/dbraw/zinc/48/25/46/1224482546.db2.gz FYTVBMKLGYVMEW-UHFFFAOYSA-N 0 0 193.221 2.730 10 30 AFEERN C=CCSc1nnc(C2CC2)s1 388395001 538431623 /nfs/dbraw/zinc/43/16/23/538431623.db2.gz GZXJDKBTRNRZIZ-UHFFFAOYSA-N 0 0 198.316 2.694 10 30 AFEERN CC(C)(C)c1coc(SCC#N)n1 1559478828 1224487338 /nfs/dbraw/zinc/48/73/38/1224487338.db2.gz GRTXXWIUXWBNIN-UHFFFAOYSA-N 0 0 196.275 2.588 10 30 AFEERN COc1cccc(C(C)=NO)c1Cl 390823007 525842767 /nfs/dbraw/zinc/84/27/67/525842767.db2.gz PPXXDFSKKVNXLK-UHFFFAOYSA-N 0 0 199.637 2.547 10 30 AFEERN C#CCSc1ncc(Cl)s1 1614758843 1224502245 /nfs/dbraw/zinc/50/22/45/1224502245.db2.gz DDAIKWXKYOAIAV-UHFFFAOYSA-N 0 0 189.692 2.522 10 30 AFEERN C=C/C=C\CC(=O)NCCCCC=C 1639243333 1224506814 /nfs/dbraw/zinc/50/68/14/1224506814.db2.gz HJBSTDGDALMXLU-VURMDHGXSA-N 0 0 193.290 2.591 10 30 AFEERN C=C/C=C/CC(=O)N[C@H](CC)CC=C 1639668901 1224507042 /nfs/dbraw/zinc/50/70/42/1224507042.db2.gz PNAVGYMYWUZNFS-WSKFYRRCSA-N 0 0 193.290 2.590 10 30 AFEERN C=C/C=C/CC(=O)N[C@@H](CC)CC=C 1639668898 1224507059 /nfs/dbraw/zinc/50/70/59/1224507059.db2.gz PNAVGYMYWUZNFS-AEZGRPFRSA-N 0 0 193.290 2.590 10 30 AFEERN C=C/C=C/CC(=O)NCCCCC=C 1639243332 1224507189 /nfs/dbraw/zinc/50/71/89/1224507189.db2.gz HJBSTDGDALMXLU-SOFGYWHQSA-N 0 0 193.290 2.591 10 30 AFEERN C=C/C=C\CC(=O)N[C@H](CC)CC=C 1639668899 1224507329 /nfs/dbraw/zinc/50/73/29/1224507329.db2.gz PNAVGYMYWUZNFS-SKVAFPRGSA-N 0 0 193.290 2.590 10 30 AFEERN C=C/C=C\CC(=O)N[C@@H](CC)CC=C 1639668900 1224507405 /nfs/dbraw/zinc/50/74/05/1224507405.db2.gz PNAVGYMYWUZNFS-TVRMLOFPSA-N 0 0 193.290 2.590 10 30 AFEERN C#CCCN1CCc2cc(CC)ccc21 1655847576 1224515871 /nfs/dbraw/zinc/51/58/71/1224515871.db2.gz MLVVJGGPOGGUDO-UHFFFAOYSA-N 0 0 199.297 2.635 10 30 AFEERN ON=C(c1ccccc1)c1ccco1 308305445 527643071 /nfs/dbraw/zinc/64/30/71/527643071.db2.gz QVTOATOPMUKDLA-UHFFFAOYSA-N 0 0 187.198 2.506 10 30 AFEERN ON=C(Cl)CCc1ccccc1 307945560 527643170 /nfs/dbraw/zinc/64/31/70/527643170.db2.gz ZMGCIMRAOFROLM-UHFFFAOYSA-N 0 0 183.638 2.646 10 30 AFEERN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]1C 335111497 533482982 /nfs/dbraw/zinc/48/29/82/533482982.db2.gz FPJRDUNMXYRECC-NXEZZACHSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]1C 335111518 533483657 /nfs/dbraw/zinc/48/36/57/533483657.db2.gz FPJRDUNMXYRECC-VHSXEESVSA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@H](C)c1noc(C(C)(C)C)n1 307749879 534672429 /nfs/dbraw/zinc/67/24/29/534672429.db2.gz ICTYQXMOYJRJQD-ZETCQYMHSA-N 0 0 180.251 2.657 10 30 AFEERN C=C[C@H](C)c1noc(C=C(C)C)n1 306337528 534673021 /nfs/dbraw/zinc/67/30/21/534673021.db2.gz WSQKNKDVXHEARB-QMMMGPOBSA-N 0 0 178.235 2.782 10 30 AFEERN C=C[C@](C)(CC)C(=O)N1CCCCC1 336040429 534700662 /nfs/dbraw/zinc/70/06/62/534700662.db2.gz CKROMAJBJSZHDV-GFCCVEGCSA-N 0 0 195.306 2.601 10 30 AFEERN CC1(C)C[C@H](SCCC#N)CCO1 335233146 534900620 /nfs/dbraw/zinc/90/06/20/534900620.db2.gz HSWCXPNDCZVKTO-SECBINFHSA-N 0 0 199.319 2.591 10 30 AFEERN C=C(C)c1ccc([N+](=O)[O-])c(F)c1 675069285 537780953 /nfs/dbraw/zinc/78/09/53/537780953.db2.gz FIDVZZAHYBEUSQ-UHFFFAOYSA-N 0 0 181.166 2.767 10 30 AFEERN C=C(C)c1cc(F)cc(OC)c1 675070109 537782427 /nfs/dbraw/zinc/78/24/27/537782427.db2.gz PSHMKXBJLCMOLH-UHFFFAOYSA-N 0 0 166.195 2.867 10 30 AFEERN C=C(C)c1ccc(C=O)cc1C 675070505 537784238 /nfs/dbraw/zinc/78/42/38/537784238.db2.gz ZPGHIMVBIZZMGZ-UHFFFAOYSA-N 0 0 160.216 2.841 10 30 AFEERN C=CCOc1cc(F)cc(F)c1 32296735 537789860 /nfs/dbraw/zinc/78/98/60/537789860.db2.gz CYDYKMNLZALXTB-UHFFFAOYSA-N 0 0 170.158 2.530 10 30 AFEERN CCCC1CCC2(CC1)OC=CC2=O 675079828 537802987 /nfs/dbraw/zinc/80/29/87/537802987.db2.gz YFCBZSNGFMITMB-UHFFFAOYSA-N 0 0 194.274 2.829 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@@]2(C1)OC=CC2=O 675079781 537803065 /nfs/dbraw/zinc/80/30/65/537803065.db2.gz XSPCRZPQOVMEMF-BXKDBHETSA-N 0 0 194.274 2.684 10 30 AFEERN CC1(C)CCC[C@]2(C1)OCC[C@H]2C#N 675079925 537803146 /nfs/dbraw/zinc/80/31/46/537803146.db2.gz JDEHLMZVFNDQJI-CMPLNLGQSA-N 0 0 193.290 2.885 10 30 AFEERN C[C@@H]1CC[C@]2(C[C@H]1C)OCC[C@@H]2C#N 675079643 537803170 /nfs/dbraw/zinc/80/31/70/537803170.db2.gz FWLXYZGYSDWSAH-DDHJBXDOSA-N 0 0 193.290 2.741 10 30 AFEERN CCC1CCC2(CC1)OCC[C@H]2C#N 675079858 537803179 /nfs/dbraw/zinc/80/31/79/537803179.db2.gz IQNZUCRHWZJGPE-CXQJBGSLSA-N 0 0 193.290 2.885 10 30 AFEERN C[C@H]1CC(C)(C)C[C@]2(C1)OC=CC2=O 675079783 537804035 /nfs/dbraw/zinc/80/40/35/537804035.db2.gz XSPCRZPQOVMEMF-CABZTGNLSA-N 0 0 194.274 2.684 10 30 AFEERN CC(C)C1CCC2(CC1)OC=CC2=O 675079552 537804588 /nfs/dbraw/zinc/80/45/88/537804588.db2.gz UDDNFLPSLCSGBL-UHFFFAOYSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@]2(C1)OC=CC2=O 675079786 537804791 /nfs/dbraw/zinc/80/47/91/537804791.db2.gz XSPCRZPQOVMEMF-SKDRFNHKSA-N 0 0 194.274 2.684 10 30 AFEERN CC1(C)CCC[C@]2(C1)OCC[C@@H]2C#N 675079930 537804946 /nfs/dbraw/zinc/80/49/46/537804946.db2.gz JDEHLMZVFNDQJI-ZYHUDNBSSA-N 0 0 193.290 2.885 10 30 AFEERN C[C@H]1CC(C)(C)C[C@@]2(C1)OC=CC2=O 675079784 537805093 /nfs/dbraw/zinc/80/50/93/537805093.db2.gz XSPCRZPQOVMEMF-JOYOIKCWSA-N 0 0 194.274 2.684 10 30 AFEERN CC1(C)CCC[C@@]2(C1)OCC[C@@H]2C#N 675079928 537805154 /nfs/dbraw/zinc/80/51/54/537805154.db2.gz JDEHLMZVFNDQJI-PWSUYJOCSA-N 0 0 193.290 2.885 10 30 AFEERN CCC1CCC2(CC1)OCC[C@@H]2C#N 675079861 537805277 /nfs/dbraw/zinc/80/52/77/537805277.db2.gz IQNZUCRHWZJGPE-MOENNCHZSA-N 0 0 193.290 2.885 10 30 AFEERN CC1(C)CCC[C@@]2(C1)OCC[C@H]2C#N 675079927 537805378 /nfs/dbraw/zinc/80/53/78/537805378.db2.gz JDEHLMZVFNDQJI-JQWIXIFHSA-N 0 0 193.290 2.885 10 30 AFEERN C[C@@H]1CC[C@]2(C[C@H]1C)OCC[C@H]2C#N 675079648 537805388 /nfs/dbraw/zinc/80/53/88/537805388.db2.gz FWLXYZGYSDWSAH-WISYIIOYSA-N 0 0 193.290 2.741 10 30 AFEERN C[C@H]1C[C@@]2(CC[C@H]1C)OCC[C@@H]2C#N 675079651 537805680 /nfs/dbraw/zinc/80/56/80/537805680.db2.gz FWLXYZGYSDWSAH-WRWGMCAJSA-N 0 0 193.290 2.741 10 30 AFEERN C[C@H]1C[C@@]2(CC[C@H]1C)OCC[C@H]2C#N 675079645 537805692 /nfs/dbraw/zinc/80/56/92/537805692.db2.gz FWLXYZGYSDWSAH-NOOOWODRSA-N 0 0 193.290 2.741 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@]2(C1)OCC[C@H]2C#N 675080775 537807735 /nfs/dbraw/zinc/80/77/35/537807735.db2.gz VGIUAZGHHHKROQ-USZNOCQGSA-N 0 0 193.290 2.741 10 30 AFEERN N#C[C@H]1CCOC12CCCCCC2 675080757 537807821 /nfs/dbraw/zinc/80/78/21/537807821.db2.gz URJLYSJCWYQBTJ-SNVBAGLBSA-N 0 0 179.263 2.639 10 30 AFEERN N#C[C@@H]1CCOC12CCCCCC2 675080756 537808016 /nfs/dbraw/zinc/80/80/16/537808016.db2.gz URJLYSJCWYQBTJ-JTQLQIEISA-N 0 0 179.263 2.639 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@]2(C1)OCC[C@@H]2C#N 675080776 537808923 /nfs/dbraw/zinc/80/89/23/537808923.db2.gz VGIUAZGHHHKROQ-WRWGMCAJSA-N 0 0 193.290 2.741 10 30 AFEERN C[C@@H]1C[C@@H](C)CC2(C1)OCC[C@@H]2C#N 675080772 537809257 /nfs/dbraw/zinc/80/92/57/537809257.db2.gz VGIUAZGHHHKROQ-GMTAPVOTSA-N 0 0 193.290 2.741 10 30 AFEERN C[C@@H]1C[C@@H](C)CC2(C1)OCC[C@H]2C#N 675080774 537809527 /nfs/dbraw/zinc/80/95/27/537809527.db2.gz VGIUAZGHHHKROQ-MXWKQRLJSA-N 0 0 193.290 2.741 10 30 AFEERN N#Cc1ccc(-c2ccsn2)cc1 675082674 537809618 /nfs/dbraw/zinc/80/96/18/537809618.db2.gz VJFJPDBCVAZYJA-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN N#CCC1(CC2CC2)CCC1 685948628 537826799 /nfs/dbraw/zinc/82/67/99/537826799.db2.gz RHDOHWTVKTWXNF-UHFFFAOYSA-N 0 0 149.237 2.870 10 30 AFEERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1CC#N 685948532 537827496 /nfs/dbraw/zinc/82/74/96/537827496.db2.gz ASQJJRLNWRLGBP-KYXWUPHJSA-N 0 0 149.237 2.582 10 30 AFEERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1CC#N 685948533 537827642 /nfs/dbraw/zinc/82/76/42/537827642.db2.gz ASQJJRLNWRLGBP-RGOKHQFPSA-N 0 0 149.237 2.582 10 30 AFEERN COCC[C@]1(C#N)C[C@@H](C)C[C@@H](C)C1 685952051 537833350 /nfs/dbraw/zinc/83/33/50/537833350.db2.gz RDXYLPZEZZRUBW-ZSBIGDGJSA-N 0 0 195.306 2.989 10 30 AFEERN Cc1cc(-c2ccoc2)cc(C#N)n1 685950126 537829370 /nfs/dbraw/zinc/82/93/70/537829370.db2.gz ITPMIPQRNGTPNM-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN COCC1(C#N)C[C@H](C)C[C@@H](C)C1 685952109 537830668 /nfs/dbraw/zinc/83/06/68/537830668.db2.gz VBCFNXQNFZIOBW-NXEZZACHSA-N 0 0 181.279 2.599 10 30 AFEERN COCCC1(C#N)C[C@@H](C)C[C@H](C)C1 685952050 537831082 /nfs/dbraw/zinc/83/10/82/537831082.db2.gz RDXYLPZEZZRUBW-QWRGUYRKSA-N 0 0 195.306 2.989 10 30 AFEERN CCc1c[nH]c2c(CC#N)cccc12 685951461 537831719 /nfs/dbraw/zinc/83/17/19/537831719.db2.gz VEQWDMRRILWSAT-UHFFFAOYSA-N 0 0 184.242 2.796 10 30 AFEERN COCC1(C#N)C[C@@H](C)C[C@H](C)C1 685952111 537832018 /nfs/dbraw/zinc/83/20/18/537832018.db2.gz VBCFNXQNFZIOBW-UWVGGRQHSA-N 0 0 181.279 2.599 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@](C)(C#N)C1 685951541 537832577 /nfs/dbraw/zinc/83/25/77/537832577.db2.gz BCAWLBRCMYCQKC-MYJAWHEDSA-N 0 0 151.253 2.972 10 30 AFEERN COC[C@]1(C#N)C[C@@H](C)C[C@@H](C)C1 685952110 537833332 /nfs/dbraw/zinc/83/33/32/537833332.db2.gz VBCFNXQNFZIOBW-URLYPYJESA-N 0 0 181.279 2.599 10 30 AFEERN COCCC1(C#N)C[C@H](C)C[C@@H](C)C1 685952049 537833522 /nfs/dbraw/zinc/83/35/22/537833522.db2.gz RDXYLPZEZZRUBW-GHMZBOCLSA-N 0 0 195.306 2.989 10 30 AFEERN CCC[C@H](C#CC(=O)OCC)C(C)C 685952936 537834626 /nfs/dbraw/zinc/83/46/26/537834626.db2.gz HLONCJDNICKBDP-LLVKDONJSA-N 0 0 196.290 2.625 10 30 AFEERN CCC[C@@H](C#CC(=O)OCC)C(C)C 685952937 537836118 /nfs/dbraw/zinc/83/61/18/537836118.db2.gz HLONCJDNICKBDP-NSHDSACASA-N 0 0 196.290 2.625 10 30 AFEERN CCCC(C#CC(=O)OCC)CCC 685952940 537836852 /nfs/dbraw/zinc/83/68/52/537836852.db2.gz HOWPBMAUCBLJTJ-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN CCOC(=O)C#C[C@@H](CC)CC(C)C 685953325 537839294 /nfs/dbraw/zinc/83/92/94/537839294.db2.gz LHVRLCFFILVWEK-LLVKDONJSA-N 0 0 196.290 2.625 10 30 AFEERN CC[C@H](C)CC#CC(=O)OC(C)(C)C 685953619 537839369 /nfs/dbraw/zinc/83/93/69/537839369.db2.gz NOPDFOWBONUOOI-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN CC(C)(C)OC(=O)C#CC1CCCC1 685953771 537840020 /nfs/dbraw/zinc/84/00/20/537840020.db2.gz PVPFWFXOAXEBTK-UHFFFAOYSA-N 0 0 194.274 2.522 10 30 AFEERN CC[C@@H](C)CC#CC(=O)OC(C)(C)C 685953620 537841987 /nfs/dbraw/zinc/84/19/87/537841987.db2.gz NOPDFOWBONUOOI-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN CCOC(=O)C#C[C@H](CC)CC(C)C 685953328 537842297 /nfs/dbraw/zinc/84/22/97/537842297.db2.gz LHVRLCFFILVWEK-NSHDSACASA-N 0 0 196.290 2.625 10 30 AFEERN CCC[C@@H](C)C#CC(=O)OC(C)(C)C 685954252 537844857 /nfs/dbraw/zinc/84/48/57/537844857.db2.gz TWSVFNDLOTWPPJ-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN CC1(C#CC(=O)OC(C)(C)C)CCC1 685954282 537845431 /nfs/dbraw/zinc/84/54/31/537845431.db2.gz UIWQQGJIIXDYIJ-UHFFFAOYSA-N 0 0 194.274 2.522 10 30 AFEERN CCC(C#CC(=O)OC(C)(C)C)CC 685954311 537846157 /nfs/dbraw/zinc/84/61/57/537846157.db2.gz VAOQVHHEPVMFJR-UHFFFAOYSA-N 0 0 196.290 2.768 10 30 AFEERN CCC[C@H](C)C#CC(=O)OC(C)(C)C 685954170 537846052 /nfs/dbraw/zinc/84/60/52/537846052.db2.gz TWSVFNDLOTWPPJ-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN CCC(C)(C)C#CC(=O)OC(C)(C)C 685954107 537846671 /nfs/dbraw/zinc/84/66/71/537846671.db2.gz SEBQDVROKHLUJV-UHFFFAOYSA-N 0 0 196.290 2.768 10 30 AFEERN CCOC(=O)C#CC1CCCCCC1 685954713 537847807 /nfs/dbraw/zinc/84/78/07/537847807.db2.gz ZJQBBVYNWCDYPY-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#CC(CCC)CCC 685954532 537848692 /nfs/dbraw/zinc/84/86/92/537848692.db2.gz OIEYWUGXWUYKJD-UHFFFAOYSA-N 0 0 124.227 2.836 10 30 AFEERN CC(C)(C)CC#CC(=O)OC(C)(C)C 685954674 537849277 /nfs/dbraw/zinc/84/92/77/537849277.db2.gz YGIJDPSGZFBDQI-UHFFFAOYSA-N 0 0 196.290 2.768 10 30 AFEERN CC(C)CCC#CC(=O)OC(C)(C)C 685954703 537849696 /nfs/dbraw/zinc/84/96/96/537849696.db2.gz YVSQSDDTQDRELC-UHFFFAOYSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)CC(C)C 685955437 537851203 /nfs/dbraw/zinc/85/12/03/537851203.db2.gz DNTYCVCKZIDBOY-SECBINFHSA-N 0 0 124.227 2.692 10 30 AFEERN C#C[C@@H](CC)CC(C)C 685955448 537851490 /nfs/dbraw/zinc/85/14/90/537851490.db2.gz DNTYCVCKZIDBOY-VIFPVBQESA-N 0 0 124.227 2.692 10 30 AFEERN N#Cc1ccc(/C=C/Br)o1 685964381 537872456 /nfs/dbraw/zinc/87/24/56/537872456.db2.gz DAMHALZEEXFRPE-ONEGZZNKSA-N 0 0 198.019 2.517 10 30 AFEERN C#Cc1nc2ccccc2n1C(C)(C)C 685964109 537873369 /nfs/dbraw/zinc/87/33/69/537873369.db2.gz WTKPZRPGSQUUGU-UHFFFAOYSA-N 0 0 198.269 2.773 10 30 AFEERN C#Cc1nc2cc(C(C)C)ccc2[nH]1 685963771 537873735 /nfs/dbraw/zinc/87/37/35/537873735.db2.gz FSBUZODNLIOPRA-UHFFFAOYSA-N 0 0 184.242 2.668 10 30 AFEERN CCCCCCCCn1cnc(N)c1 685964250 537874074 /nfs/dbraw/zinc/87/40/74/537874074.db2.gz YBGZLGHUITVALW-UHFFFAOYSA-N 0 0 195.310 2.826 10 30 AFEERN C#Cc1nc2ccccc2n1C1CCC1 685964120 537874379 /nfs/dbraw/zinc/87/43/79/537874379.db2.gz XSKVBMZJNJIANP-UHFFFAOYSA-N 0 0 196.253 2.743 10 30 AFEERN C#Cc1nc2ccccc2n1C(C)C 685964053 537874873 /nfs/dbraw/zinc/87/48/73/537874873.db2.gz RYZVSEMCUUCBAV-UHFFFAOYSA-N 0 0 184.242 2.599 10 30 AFEERN C=C(OCC)c1cccc(F)c1C#N 685965332 537877763 /nfs/dbraw/zinc/87/77/63/537877763.db2.gz ZYXNYZOMKNHZLC-UHFFFAOYSA-N 0 0 191.205 2.705 10 30 AFEERN C=CCc1cccc2c1CCC2 81949923 537879048 /nfs/dbraw/zinc/87/90/48/537879048.db2.gz RQDSBSCCHWDXPE-UHFFFAOYSA-N 0 0 158.244 2.904 10 30 AFEERN C=CCCn1ccc2c(N)cccc21 711299713 537879168 /nfs/dbraw/zinc/87/91/68/537879168.db2.gz OKBCBEJOKNNNEC-UHFFFAOYSA-N 0 0 186.258 2.800 10 30 AFEERN C=CCCn1ccc2cccc(N)c21 711300317 537880107 /nfs/dbraw/zinc/88/01/07/537880107.db2.gz QPZTURNHZXDKQG-UHFFFAOYSA-N 0 0 186.258 2.800 10 30 AFEERN C=CCCn1ccc2ccc(N)cc21 711296571 537880978 /nfs/dbraw/zinc/88/09/78/537880978.db2.gz DITYFIOOOYMQAI-UHFFFAOYSA-N 0 0 186.258 2.800 10 30 AFEERN CN(C)/C=C1/CCCCC(C)(C)C1=O 719285659 537883440 /nfs/dbraw/zinc/88/34/40/537883440.db2.gz MMMDKEKHRPAMHR-KTKRTIGZSA-N 0 0 195.306 2.601 10 30 AFEERN CCO/C=C/C(=O)c1cc(C)oc1C 82556789 537886182 /nfs/dbraw/zinc/88/61/82/537886182.db2.gz DSHZJVGAUUJMOJ-AATRIKPKSA-N 0 0 194.230 2.629 10 30 AFEERN CCO/C=C1\C(=O)C[C@@H](C)C[C@H]1C 82830292 537889521 /nfs/dbraw/zinc/88/95/21/537889521.db2.gz BXQAWMCZTJHZDI-WQHZVDDGSA-N 0 0 182.263 2.542 10 30 AFEERN CCO/C=C1\C(=O)C[C@H](C)C[C@@H]1C 82830295 537889596 /nfs/dbraw/zinc/88/95/96/537889596.db2.gz BXQAWMCZTJHZDI-GYDIXIQSSA-N 0 0 182.263 2.542 10 30 AFEERN CCO/C=C1\C(=O)C[C@H](C)C[C@H]1C 82830294 537889801 /nfs/dbraw/zinc/88/98/01/537889801.db2.gz BXQAWMCZTJHZDI-NLSNDTQJSA-N 0 0 182.263 2.542 10 30 AFEERN CCO/C=C1\C(=O)C[C@@H](C)C[C@@H]1C 82830293 537891472 /nfs/dbraw/zinc/89/14/72/537891472.db2.gz BXQAWMCZTJHZDI-VHALWPABSA-N 0 0 182.263 2.542 10 30 AFEERN SCc1cnc(-c2ccccc2)o1 725244758 537894386 /nfs/dbraw/zinc/89/43/86/537894386.db2.gz VKACPLMHMGKAKK-UHFFFAOYSA-N 0 0 191.255 2.771 10 30 AFEERN C/C=C1\C[C@H](C(C)C)CCC1=O 725245341 537895532 /nfs/dbraw/zinc/89/55/32/537895532.db2.gz HHCKDLILMUZYMH-WXLQGSQKSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccc(F)c(CS)c1F 725246360 537896153 /nfs/dbraw/zinc/89/61/53/537896153.db2.gz VBVQUYQMEIHFOW-UHFFFAOYSA-N 0 0 174.215 2.703 10 30 AFEERN SCc1cc(-c2ccccc2)no1 725245622 537896466 /nfs/dbraw/zinc/89/64/66/537896466.db2.gz LEEUYJGVUJXRTB-UHFFFAOYSA-N 0 0 191.255 2.771 10 30 AFEERN C/C=C1\C[C@H](CC)CCC1=O 725245059 537896869 /nfs/dbraw/zinc/89/68/69/537896869.db2.gz DSJZYTSQJQAXKW-SXPLAPADSA-N 0 0 152.237 2.712 10 30 AFEERN C/C=C1\C[C@@H](CC)CCC1=O 725245058 537897534 /nfs/dbraw/zinc/89/75/34/537897534.db2.gz DSJZYTSQJQAXKW-DHFUWRPHSA-N 0 0 152.237 2.712 10 30 AFEERN C/C=C1\C[C@@H](C(C)C)CCC1=O 725245339 537897843 /nfs/dbraw/zinc/89/78/43/537897843.db2.gz HHCKDLILMUZYMH-LLGDCAAFSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H]1Cc2c(CS)noc2[C@H](C)C1 725253104 537915295 /nfs/dbraw/zinc/91/52/95/537915295.db2.gz WQKFHLVOZJQKDC-RNFRBKRXSA-N 0 0 197.303 2.790 10 30 AFEERN C[C@@H]1Cc2c(CS)noc2[C@H](C)C1 725253103 537916290 /nfs/dbraw/zinc/91/62/90/537916290.db2.gz WQKFHLVOZJQKDC-NKWVEPMBSA-N 0 0 197.303 2.790 10 30 AFEERN Cc1cc(C)cc(C2(C=O)CC2)c1 84332677 537911938 /nfs/dbraw/zinc/91/19/38/537911938.db2.gz FVPVROFXFZPGPP-UHFFFAOYSA-N 0 0 174.243 2.534 10 30 AFEERN Cc1ccc(-c2cc(CS)no2)o1 725251794 537913586 /nfs/dbraw/zinc/91/35/86/537913586.db2.gz AEUCAZOVCUMGTK-UHFFFAOYSA-N 0 0 195.243 2.673 10 30 AFEERN C[C@H]1CCc2c(CS)noc2[C@@H]1C 725252115 537913654 /nfs/dbraw/zinc/91/36/54/537913654.db2.gz DXHTUROCBQCCGV-NKWVEPMBSA-N 0 0 197.303 2.790 10 30 AFEERN Cc1c(CS)noc1C1CCC1 725252836 537913691 /nfs/dbraw/zinc/91/36/91/537913691.db2.gz RAQVHWQDUADHJH-UHFFFAOYSA-N 0 0 183.276 2.680 10 30 AFEERN SCc1cc(-c2ccsc2)on1 725251858 537913734 /nfs/dbraw/zinc/91/37/34/537913734.db2.gz BDSRKQGNWRATQG-UHFFFAOYSA-N 0 0 197.284 2.833 10 30 AFEERN CC[C@@H](C)c1cc(CS)no1 725252734 537913788 /nfs/dbraw/zinc/91/37/88/537913788.db2.gz OOYYJLWUQVCWEO-ZCFIWIBFSA-N 0 0 171.265 2.618 10 30 AFEERN C[C@@H]1CCc2c(CS)noc2[C@@H]1C 725252116 537913807 /nfs/dbraw/zinc/91/38/07/537913807.db2.gz DXHTUROCBQCCGV-RNFRBKRXSA-N 0 0 197.303 2.790 10 30 AFEERN C[C@@H]1c2onc(CS)c2CC[C@H]1C 725252117 537913841 /nfs/dbraw/zinc/91/38/41/537913841.db2.gz DXHTUROCBQCCGV-RQJHMYQMSA-N 0 0 197.303 2.790 10 30 AFEERN SCc1noc2c1C[C@@H]1CCC[C@H]21 725251878 537913868 /nfs/dbraw/zinc/91/38/68/537913868.db2.gz BFKXVIMOYHRCPF-BQBZGAKWSA-N 0 0 195.287 2.544 10 30 AFEERN CCCc1onc(CS)c1CC 725253078 537913879 /nfs/dbraw/zinc/91/38/79/537913879.db2.gz VPLCQFRARYRNPL-UHFFFAOYSA-N 0 0 185.292 2.619 10 30 AFEERN CC1(C)CCc2onc(CS)c2C1 725252509 537913916 /nfs/dbraw/zinc/91/39/16/537913916.db2.gz LROCEPBAAVGCOI-UHFFFAOYSA-N 0 0 197.303 2.619 10 30 AFEERN CCc1c(CS)noc1C(C)(C)C 725253049 537913944 /nfs/dbraw/zinc/91/39/44/537913944.db2.gz TYXVTXNMEQYRGL-UHFFFAOYSA-N 0 0 199.319 2.964 10 30 AFEERN CC[C@@H]1CCc2c(CS)noc21 725252794 537914065 /nfs/dbraw/zinc/91/40/65/537914065.db2.gz QKODHNQFPATRHR-ZCFIWIBFSA-N 0 0 183.276 2.544 10 30 AFEERN C[C@@H]1Cc2onc(CS)c2[C@@H](C)C1 725252841 537914100 /nfs/dbraw/zinc/91/41/00/537914100.db2.gz RESKNCUTXMTGAW-BQBZGAKWSA-N 0 0 197.303 2.790 10 30 AFEERN SCc1noc2c1C[C@H]1CCC[C@@H]21 725251885 537914157 /nfs/dbraw/zinc/91/41/57/537914157.db2.gz BFKXVIMOYHRCPF-RNFRBKRXSA-N 0 0 195.287 2.544 10 30 AFEERN C[C@H]1Cc2onc(CS)c2[C@H](C)C1 725252843 537914308 /nfs/dbraw/zinc/91/43/08/537914308.db2.gz RESKNCUTXMTGAW-RNFRBKRXSA-N 0 0 197.303 2.790 10 30 AFEERN CCc1c(CS)noc1C1CCC1 725252603 537914765 /nfs/dbraw/zinc/91/47/65/537914765.db2.gz MNFKETSVMFXDNK-UHFFFAOYSA-N 0 0 197.303 2.934 10 30 AFEERN Cc1c(CS)noc1C(C)C 725251864 537914844 /nfs/dbraw/zinc/91/48/44/537914844.db2.gz BEJHVABQNKMYDT-UHFFFAOYSA-N 0 0 171.265 2.536 10 30 AFEERN Cc1c(CS)noc1[C@H]1C[C@H]1C 725253118 537914869 /nfs/dbraw/zinc/91/48/69/537914869.db2.gz WXRLSLPPUWXBTK-VDTYLAMSSA-N 0 0 183.276 2.536 10 30 AFEERN SCc1noc2c1[C@H]1CC[C@@H](C2)C1 725252601 537914914 /nfs/dbraw/zinc/91/49/14/537914914.db2.gz MMBLDNCVQPYFDS-RQJHMYQMSA-N 0 0 195.287 2.544 10 30 AFEERN CCc1c(CS)noc1C1CC1 725253032 537914929 /nfs/dbraw/zinc/91/49/29/537914929.db2.gz SRGMLCPMEFMWLW-UHFFFAOYSA-N 0 0 183.276 2.544 10 30 AFEERN Cc1c(CS)noc1C(C)(C)C 725253046 537914946 /nfs/dbraw/zinc/91/49/46/537914946.db2.gz TVAFOEOWTMGMFU-UHFFFAOYSA-N 0 0 185.292 2.710 10 30 AFEERN CC1(C)CCCc2c(CS)noc21 725252823 537914969 /nfs/dbraw/zinc/91/49/69/537914969.db2.gz QSRJOBFHZWELJB-UHFFFAOYSA-N 0 0 197.303 2.718 10 30 AFEERN Cc1c(CS)noc1-c1ccco1 725253089 537915011 /nfs/dbraw/zinc/91/50/11/537915011.db2.gz WAERFOUWJADXFO-UHFFFAOYSA-N 0 0 195.243 2.673 10 30 AFEERN Cc1c(CS)noc1[C@@H]1C[C@H]1C 725253117 537915051 /nfs/dbraw/zinc/91/50/51/537915051.db2.gz WXRLSLPPUWXBTK-IYSWYEEDSA-N 0 0 183.276 2.536 10 30 AFEERN Cc1c(CS)noc1[C@H]1C[C@@H]1C 725253116 537915147 /nfs/dbraw/zinc/91/51/47/537915147.db2.gz WXRLSLPPUWXBTK-FSPLSTOPSA-N 0 0 183.276 2.536 10 30 AFEERN SCc1noc2c1C[C@H]1CCC[C@H]21 725251890 537915161 /nfs/dbraw/zinc/91/51/61/537915161.db2.gz BFKXVIMOYHRCPF-RQJHMYQMSA-N 0 0 195.287 2.544 10 30 AFEERN Cc1c(CS)noc1[C@@H]1CC1(C)C 725252628 537915256 /nfs/dbraw/zinc/91/52/56/537915256.db2.gz MRBNBKXTPXPFNT-ZETCQYMHSA-N 0 0 197.303 2.926 10 30 AFEERN C[C@@H]1Cc2onc(CS)c2[C@H](C)C1 725252842 537915322 /nfs/dbraw/zinc/91/53/22/537915322.db2.gz RESKNCUTXMTGAW-NKWVEPMBSA-N 0 0 197.303 2.790 10 30 AFEERN SCc1cc(C2CCCC2)on1 725252869 537915397 /nfs/dbraw/zinc/91/53/97/537915397.db2.gz RNVXQRRLIQKEFH-UHFFFAOYSA-N 0 0 183.276 2.762 10 30 AFEERN C[C@H]1C[C@@H](C)Cc2onc(CS)c21 725252844 537915439 /nfs/dbraw/zinc/91/54/39/537915439.db2.gz RESKNCUTXMTGAW-RQJHMYQMSA-N 0 0 197.303 2.790 10 30 AFEERN C[C@H]1CC(C)(C)c2c(CS)noc21 725253163 537915525 /nfs/dbraw/zinc/91/55/25/537915525.db2.gz XVIWWMFTBLNDNI-LURJTMIESA-N 0 0 197.303 2.889 10 30 AFEERN SCc1noc2c1C[C@@H]1CCC[C@@H]21 725251880 537915631 /nfs/dbraw/zinc/91/56/31/537915631.db2.gz BFKXVIMOYHRCPF-NKWVEPMBSA-N 0 0 195.287 2.544 10 30 AFEERN CC[C@H]1CCCc2c(CS)noc21 725252167 537915647 /nfs/dbraw/zinc/91/56/47/537915647.db2.gz GRUYEXKPXRKNCG-ZETCQYMHSA-N 0 0 197.303 2.934 10 30 AFEERN Cc1c(CS)noc1[C@@H]1C[C@@H]1C 725253115 537915654 /nfs/dbraw/zinc/91/56/54/537915654.db2.gz WXRLSLPPUWXBTK-CAHLUQPWSA-N 0 0 183.276 2.536 10 30 AFEERN CC[C@@H]1CCc2onc(CS)c2C1 725252171 537915668 /nfs/dbraw/zinc/91/56/68/537915668.db2.gz GUWWBONWBKKWMA-SSDOTTSWSA-N 0 0 197.303 2.619 10 30 AFEERN CC[C@@H]1CCCc2c(CS)noc21 725252165 537915673 /nfs/dbraw/zinc/91/56/73/537915673.db2.gz GRUYEXKPXRKNCG-SSDOTTSWSA-N 0 0 197.303 2.934 10 30 AFEERN CC[C@H]1CCc2c(CS)noc21 725252793 537915733 /nfs/dbraw/zinc/91/57/33/537915733.db2.gz QKODHNQFPATRHR-LURJTMIESA-N 0 0 183.276 2.544 10 30 AFEERN C[C@@H]1Cc2c(CS)noc2[C@@H](C)C1 725253102 537915794 /nfs/dbraw/zinc/91/57/94/537915794.db2.gz WQKFHLVOZJQKDC-BQBZGAKWSA-N 0 0 197.303 2.790 10 30 AFEERN CC[C@H]1CCc2onc(CS)c2C1 725252175 537915880 /nfs/dbraw/zinc/91/58/80/537915880.db2.gz GUWWBONWBKKWMA-ZETCQYMHSA-N 0 0 197.303 2.619 10 30 AFEERN Cc1c(CS)noc1[C@H]1CC1(C)C 725252624 537915962 /nfs/dbraw/zinc/91/59/62/537915962.db2.gz MRBNBKXTPXPFNT-SSDOTTSWSA-N 0 0 197.303 2.926 10 30 AFEERN SCc1noc2c1CCCCCC2 725253027 537915983 /nfs/dbraw/zinc/91/59/83/537915983.db2.gz SMYJBJYSCVYTHU-UHFFFAOYSA-N 0 0 197.303 2.763 10 30 AFEERN C[C@H]1C[C@@H](C)Cc2c(CS)noc21 725253105 537916171 /nfs/dbraw/zinc/91/61/71/537916171.db2.gz WQKFHLVOZJQKDC-RQJHMYQMSA-N 0 0 197.303 2.790 10 30 AFEERN CC[C@H](C)c1cc(CS)no1 725252733 537916242 /nfs/dbraw/zinc/91/62/42/537916242.db2.gz OOYYJLWUQVCWEO-LURJTMIESA-N 0 0 171.265 2.618 10 30 AFEERN C[C@@H]1CC(C)(C)c2c(CS)noc21 725253166 537916250 /nfs/dbraw/zinc/91/62/50/537916250.db2.gz XVIWWMFTBLNDNI-ZCFIWIBFSA-N 0 0 197.303 2.889 10 30 AFEERN C[C@H]1CCc2c(CS)noc2[C@H]1C 725252114 537916259 /nfs/dbraw/zinc/91/62/59/537916259.db2.gz DXHTUROCBQCCGV-BQBZGAKWSA-N 0 0 197.303 2.790 10 30 AFEERN SCc1noc2c1C1CCC2CC1 725253763 537918041 /nfs/dbraw/zinc/91/80/41/537918041.db2.gz KOKHJRMESCLXBD-UHFFFAOYSA-N 0 0 195.287 2.859 10 30 AFEERN CC(C)C(C(=O)/C=C/N(C)C)C(C)C 725257238 537922619 /nfs/dbraw/zinc/92/26/19/537922619.db2.gz LJDDRMKNELHZOO-BQYQJAHWSA-N 0 0 197.322 2.559 10 30 AFEERN C[C@@H]1CCCc2c(CS)noc21 725253196 537919816 /nfs/dbraw/zinc/91/98/16/537919816.db2.gz YWUZMCOUGKRPMW-ZCFIWIBFSA-N 0 0 183.276 2.544 10 30 AFEERN CC1(C)C[C@@H]1c1cc(CS)no1 725253216 537919982 /nfs/dbraw/zinc/91/99/82/537919982.db2.gz ZISBGZIAKVBRNS-SSDOTTSWSA-N 0 0 183.276 2.618 10 30 AFEERN CC1(C)C[C@H]1c1cc(CS)no1 725253218 537920062 /nfs/dbraw/zinc/92/00/62/537920062.db2.gz ZISBGZIAKVBRNS-ZETCQYMHSA-N 0 0 183.276 2.618 10 30 AFEERN C[C@H]1CCCc2c(CS)noc21 725253195 537920068 /nfs/dbraw/zinc/92/00/68/537920068.db2.gz YWUZMCOUGKRPMW-LURJTMIESA-N 0 0 183.276 2.544 10 30 AFEERN C=C(F)C1(CC(=O)OC)CCCC1 725259888 537924932 /nfs/dbraw/zinc/92/49/32/537924932.db2.gz KOESUMNUGMOKLM-UHFFFAOYSA-N 0 0 186.226 2.593 10 30 AFEERN Cc1cccc([C@]2(C=O)C[C@H](F)C2)c1 725258955 537926214 /nfs/dbraw/zinc/92/62/14/537926214.db2.gz IPZBUZPANUMFJU-TXEJJXNPSA-N 0 0 192.233 2.564 10 30 AFEERN CCO/C=C/C(=O)[C@@]12CCCC[C@@H]1C2 725258392 537926451 /nfs/dbraw/zinc/92/64/51/537926451.db2.gz MMKKTCPMZXINPM-HSHKGWJESA-N 0 0 194.274 2.686 10 30 AFEERN Cc1ccc([C@]2(C=O)C[C@H](F)C2)cc1 725259044 537926821 /nfs/dbraw/zinc/92/68/21/537926821.db2.gz SAJLQEXHMABCSI-TXEJJXNPSA-N 0 0 192.233 2.564 10 30 AFEERN C=CC[C@@]1(O)CCCC(C)(C)C1 86715963 537934361 /nfs/dbraw/zinc/93/43/61/537934361.db2.gz DGMKUQDTPMNIMB-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=CC[C@]1(O)CCCC(C)(C)C1 86715965 537934487 /nfs/dbraw/zinc/93/44/87/537934487.db2.gz DGMKUQDTPMNIMB-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC1(O)CCC(C)(C)CC1 86712935 537934794 /nfs/dbraw/zinc/93/47/94/537934794.db2.gz CXSPULTUQXAUCM-UHFFFAOYSA-N 0 0 168.280 2.894 10 30 AFEERN CCO/C=C1/CCCC(C)(C)C1=O 86844443 537938272 /nfs/dbraw/zinc/93/82/72/537938272.db2.gz RSPHSTSDZLJDHX-HJWRWDBZSA-N 0 0 182.263 2.686 10 30 AFEERN Cc1cc(C)cc(CSCC=O)c1 87196960 537938616 /nfs/dbraw/zinc/93/86/16/537938616.db2.gz VNNLEFLMHFRTGQ-UHFFFAOYSA-N 0 0 194.299 2.736 10 30 AFEERN O=CCCSc1cccc(F)c1 87112145 537938625 /nfs/dbraw/zinc/93/86/25/537938625.db2.gz MJDBDRQRFBVLKT-UHFFFAOYSA-N 0 0 184.235 2.507 10 30 AFEERN Cc1ccc2c(c1)C[C@H](C#N)CC2 108368036 537962349 /nfs/dbraw/zinc/96/23/49/537962349.db2.gz AQSSQYQJZCETJO-SNVBAGLBSA-N 0 0 171.243 2.624 10 30 AFEERN Cc1ccc2c(c1)C[C@@H](C#N)CC2 108368039 537962475 /nfs/dbraw/zinc/96/24/75/537962475.db2.gz AQSSQYQJZCETJO-JTQLQIEISA-N 0 0 171.243 2.624 10 30 AFEERN CCCCCCCn1cc(C)c(N)n1 112084733 537965334 /nfs/dbraw/zinc/96/53/34/537965334.db2.gz QTDUXZGDGUTDPD-UHFFFAOYSA-N 0 0 195.310 2.744 10 30 AFEERN CCCCCC#CC(=O)OC(C)(C)C 115205028 537966679 /nfs/dbraw/zinc/96/66/79/537966679.db2.gz RJIMUIROLBEVRW-UHFFFAOYSA-N 0 0 196.290 2.912 10 30 AFEERN CCCCC#CC(=O)OC(C)(C)C 115204107 537966925 /nfs/dbraw/zinc/96/69/25/537966925.db2.gz FGBYWJAQTBWVRD-UHFFFAOYSA-N 0 0 182.263 2.522 10 30 AFEERN C=CCc1ccc(OC2CC2)cc1 125547914 537978821 /nfs/dbraw/zinc/97/88/21/537978821.db2.gz UJRNROAQBNXIPL-UHFFFAOYSA-N 0 0 174.243 2.956 10 30 AFEERN N#Cc1ccc(-c2ccoc2)cc1 136870464 537991033 /nfs/dbraw/zinc/99/10/33/537991033.db2.gz LJQWJKTWCIDGHB-UHFFFAOYSA-N 0 0 169.183 2.818 10 30 AFEERN C=C(C)CCSc1cnccn1 140670294 537993238 /nfs/dbraw/zinc/99/32/38/537993238.db2.gz AWOBYQXYATZQJS-UHFFFAOYSA-N 0 0 180.276 2.535 10 30 AFEERN C[C@H]1C[C@H](C)CC(C)(C#N)C1 146891673 537998853 /nfs/dbraw/zinc/99/88/53/537998853.db2.gz BCAWLBRCMYCQKC-IUCAKERBSA-N 0 0 151.253 2.972 10 30 AFEERN C[C@@H]1C[C@@H](C)CC(C)(C#N)C1 146891795 537999524 /nfs/dbraw/zinc/99/95/24/537999524.db2.gz BCAWLBRCMYCQKC-RKDXNWHRSA-N 0 0 151.253 2.972 10 30 AFEERN C=C(C)CCOc1cccc(CO)c1 169047390 538179424 /nfs/dbraw/zinc/17/94/24/538179424.db2.gz DPZFUYCADCREOK-UHFFFAOYSA-N 0 0 192.258 2.524 10 30 AFEERN C=C(C)CCOc1ccccc1CO 169047591 538180662 /nfs/dbraw/zinc/18/06/62/538180662.db2.gz DLSQLFBWKXZICI-UHFFFAOYSA-N 0 0 192.258 2.524 10 30 AFEERN C=C(CC)CN[C@H](C)c1ncc(C)o1 230647913 538210303 /nfs/dbraw/zinc/21/03/03/538210303.db2.gz XSEOOUDCBDSZTJ-SNVBAGLBSA-N 0 0 194.278 2.600 10 30 AFEERN C=C(CC)CN[C@@H](C)c1ncc(C)o1 230647910 538212029 /nfs/dbraw/zinc/21/20/29/538212029.db2.gz XSEOOUDCBDSZTJ-JTQLQIEISA-N 0 0 194.278 2.600 10 30 AFEERN N#C[C@H]1O[C@]12CCCCC21CCCC1 306406991 538303630 /nfs/dbraw/zinc/30/36/30/538303630.db2.gz FRFDSOIJFBTFIQ-ZYHUDNBSSA-N 0 0 191.274 2.782 10 30 AFEERN N#C[C@@H]1O[C@]12CCCCC21CCCC1 306406988 538303785 /nfs/dbraw/zinc/30/37/85/538303785.db2.gz FRFDSOIJFBTFIQ-CMPLNLGQSA-N 0 0 191.274 2.782 10 30 AFEERN N#C[C@H]1O[C@@]12CCCCC21CCCC1 306406990 538303830 /nfs/dbraw/zinc/30/38/30/538303830.db2.gz FRFDSOIJFBTFIQ-PWSUYJOCSA-N 0 0 191.274 2.782 10 30 AFEERN N#C[C@@H]1O[C@@]12CCCCC21CCCC1 306406989 538303930 /nfs/dbraw/zinc/30/39/30/538303930.db2.gz FRFDSOIJFBTFIQ-JQWIXIFHSA-N 0 0 191.274 2.782 10 30 AFEERN N#C[C@H]1O[C@]12CCCC21CCCCC1 306760885 538308794 /nfs/dbraw/zinc/30/87/94/538308794.db2.gz YOOBSEYVJOCYCD-ZYHUDNBSSA-N 0 0 191.274 2.782 10 30 AFEERN N#C[C@@H]1O[C@]12CCCC21CCCCC1 306760869 538309046 /nfs/dbraw/zinc/30/90/46/538309046.db2.gz YOOBSEYVJOCYCD-CMPLNLGQSA-N 0 0 191.274 2.782 10 30 AFEERN N#C[C@H]1O[C@@]12CCCC21CCCCC1 306760880 538309402 /nfs/dbraw/zinc/30/94/02/538309402.db2.gz YOOBSEYVJOCYCD-PWSUYJOCSA-N 0 0 191.274 2.782 10 30 AFEERN N#C[C@@H]1O[C@@]12CCCC21CCCCC1 306760875 538310090 /nfs/dbraw/zinc/31/00/90/538310090.db2.gz YOOBSEYVJOCYCD-JQWIXIFHSA-N 0 0 191.274 2.782 10 30 AFEERN N#C[C@@H]1OC12CCC1(CCCC1)CC2 307443667 538316088 /nfs/dbraw/zinc/31/60/88/538316088.db2.gz OJCQHJAPMUCLBM-JTQLQIEISA-N 0 0 191.274 2.782 10 30 AFEERN N#C[C@H]1OC12CCC1(CCCC1)CC2 307443669 538316409 /nfs/dbraw/zinc/31/64/09/538316409.db2.gz OJCQHJAPMUCLBM-SNVBAGLBSA-N 0 0 191.274 2.782 10 30 AFEERN CC[C@@H](C#N)n1ccc2cccc(N)c21 308771440 538323062 /nfs/dbraw/zinc/32/30/62/538323062.db2.gz BCNFINNDZJPVFB-JTQLQIEISA-N 0 0 199.257 2.698 10 30 AFEERN CC[C@H](C#N)n1ccc2cc(N)ccc21 308532329 538323331 /nfs/dbraw/zinc/32/33/31/538323331.db2.gz BKJPGJMOZORPMA-LLVKDONJSA-N 0 0 199.257 2.698 10 30 AFEERN CC[C@@H](C#N)n1ccc2cc(N)ccc21 308532334 538323776 /nfs/dbraw/zinc/32/37/76/538323776.db2.gz BKJPGJMOZORPMA-NSHDSACASA-N 0 0 199.257 2.698 10 30 AFEERN CC/C(=C\N(C)C)C(=O)C1CCCC1 313446636 538323907 /nfs/dbraw/zinc/32/39/07/538323907.db2.gz RDDZZESZLWDVMG-MDZDMXLPSA-N 0 0 195.306 2.601 10 30 AFEERN CC[C@H](C#N)n1ccc2cccc(N)c21 308771441 538324007 /nfs/dbraw/zinc/32/40/07/538324007.db2.gz BCNFINNDZJPVFB-SNVBAGLBSA-N 0 0 199.257 2.698 10 30 AFEERN CCO/C=C(\CC)C(=O)C1CCC1 322924130 538326951 /nfs/dbraw/zinc/32/69/51/538326951.db2.gz LOGQBEUBGUICEH-CMDGGOBGSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)CCc1noc(CC(C)C)n1 349770908 538330098 /nfs/dbraw/zinc/33/00/98/538330098.db2.gz HKJGNAZBKKFCEN-UHFFFAOYSA-N 0 0 194.278 2.777 10 30 AFEERN C=C(C)CCc1noc(C(C)(C)F)n1 349771153 538330119 /nfs/dbraw/zinc/33/01/19/538330119.db2.gz IIWRTGVIMZFNII-UHFFFAOYSA-N 0 0 198.241 2.783 10 30 AFEERN C=C(C)CCc1noc(CC2CC2)n1 349774259 538330523 /nfs/dbraw/zinc/33/05/23/538330523.db2.gz HMKNNWLFIZNFQM-UHFFFAOYSA-N 0 0 192.262 2.531 10 30 AFEERN C=CCCCSc1cnccn1 379321479 538345937 /nfs/dbraw/zinc/34/59/37/538345937.db2.gz CKQHLEWNKHZDHI-UHFFFAOYSA-N 0 0 180.276 2.535 10 30 AFEERN C=CCCCn1ncc(Cl)c1C 379331644 538351979 /nfs/dbraw/zinc/35/19/79/538351979.db2.gz FFBZZMKFMAEROE-UHFFFAOYSA-N 0 0 184.670 2.811 10 30 AFEERN C=CCNc1nc([C@@H](C)CC)cs1 379352291 538356827 /nfs/dbraw/zinc/35/68/27/538356827.db2.gz AWOWRKGCTFYJOY-QMMMGPOBSA-N 0 0 196.319 2.676 10 30 AFEERN C=CCNc1nc([C@H](C)CC)cs1 379352290 538358202 /nfs/dbraw/zinc/35/82/02/538358202.db2.gz AWOWRKGCTFYJOY-MRVPVSSYSA-N 0 0 196.319 2.676 10 30 AFEERN C=CCCCOc1cccnc1C 379353842 538360475 /nfs/dbraw/zinc/36/04/75/538360475.db2.gz GNSXWDFLGOSLNW-UHFFFAOYSA-N 0 0 177.247 2.735 10 30 AFEERN C=C(C)CCN(CC)CC(F)(F)F 379353166 538360713 /nfs/dbraw/zinc/36/07/13/538360713.db2.gz DWGVIGOQUKBBOV-UHFFFAOYSA-N 0 0 195.228 2.837 10 30 AFEERN C=CCCCNc1ccc(Cl)cn1 379354851 538360938 /nfs/dbraw/zinc/36/09/38/538360938.db2.gz JSKHUWZGPHCXBH-UHFFFAOYSA-N 0 0 196.681 2.535 10 30 AFEERN C=C(C)CCN(CC(F)F)C1CC1 379379599 538373180 /nfs/dbraw/zinc/37/31/80/538373180.db2.gz BCNDOXILHXJGNQ-UHFFFAOYSA-N 0 0 189.249 2.682 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NC(C)(C)C 379384573 538376616 /nfs/dbraw/zinc/37/66/16/538376616.db2.gz OVRUAUAWIDZNJV-SECBINFHSA-N 0 0 183.295 2.503 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NC(C)(C)C 379384574 538377665 /nfs/dbraw/zinc/37/76/65/538377665.db2.gz OVRUAUAWIDZNJV-VIFPVBQESA-N 0 0 183.295 2.503 10 30 AFEERN C=C(CC)CSc1ncc(C)cn1 379387555 538382116 /nfs/dbraw/zinc/38/21/16/538382116.db2.gz HRIQXXMCEAPFNT-UHFFFAOYSA-N 0 0 194.303 2.843 10 30 AFEERN C=C(C)CCN1CCC[C@H]1C(F)F 379387518 538382304 /nfs/dbraw/zinc/38/23/04/538382304.db2.gz HOXDRJPAKRBHNR-VIFPVBQESA-N 0 0 189.249 2.682 10 30 AFEERN C=C(CC)COc1ccc(C)nc1 379393023 538386283 /nfs/dbraw/zinc/38/62/83/538386283.db2.gz TUTHKZJLGIXZOH-UHFFFAOYSA-N 0 0 177.247 2.735 10 30 AFEERN C=CCCCNC(=O)CCCCC 379403365 538398941 /nfs/dbraw/zinc/39/89/41/538398941.db2.gz PEPJHQXYIVXQNK-UHFFFAOYSA-N 0 0 183.295 2.649 10 30 AFEERN C=C(C)CN(C)C(=O)CCCCC 379409821 538404899 /nfs/dbraw/zinc/40/48/99/538404899.db2.gz DQZTYVLRNZVROT-UHFFFAOYSA-N 0 0 183.295 2.601 10 30 AFEERN C=CCNc1cccc([C@@H](C)OC)c1 379565632 538415226 /nfs/dbraw/zinc/41/52/26/538415226.db2.gz BYIBQMXIFFRCGJ-SNVBAGLBSA-N 0 0 191.274 2.992 10 30 AFEERN C=CCNc1cccc([C@H](C)OC)c1 379565631 538415605 /nfs/dbraw/zinc/41/56/05/538415605.db2.gz BYIBQMXIFFRCGJ-JTQLQIEISA-N 0 0 191.274 2.992 10 30 AFEERN C=CCCCN1CCC[C@H]1C(F)F 381858636 538428109 /nfs/dbraw/zinc/42/81/09/538428109.db2.gz OUTUWPBZQPXCDP-VIFPVBQESA-N 0 0 189.249 2.682 10 30 AFEERN C=CCCCSc1cccnn1 388401171 538431985 /nfs/dbraw/zinc/43/19/85/538431985.db2.gz NWFZQMXMRWHZHF-UHFFFAOYSA-N 0 0 180.276 2.535 10 30 AFEERN C=CCCC[C@@H](C)Sc1c[nH]nn1 388614829 538434318 /nfs/dbraw/zinc/43/43/18/538434318.db2.gz COTBQTLAJVFMCP-MRVPVSSYSA-N 0 0 197.307 2.642 10 30 AFEERN C=CCCC[C@H](C)Sc1c[nH]nn1 388614831 538434665 /nfs/dbraw/zinc/43/46/65/538434665.db2.gz COTBQTLAJVFMCP-QMMMGPOBSA-N 0 0 197.307 2.642 10 30 AFEERN C=CCCC[N@@H+](C)Cc1cncs1 388712969 538436944 /nfs/dbraw/zinc/43/69/44/538436944.db2.gz PZSJBUWUXJRUPL-UHFFFAOYSA-N 0 0 196.319 2.541 10 30 AFEERN C=CCCc1csc([C@@H](C)OC)n1 388757362 538437017 /nfs/dbraw/zinc/43/70/17/538437017.db2.gz DBDDLDJTDUBDFK-MRVPVSSYSA-N 0 0 197.303 2.969 10 30 AFEERN C=CCCCN(C)c1ncc(C)s1 388781529 538437123 /nfs/dbraw/zinc/43/71/23/538437123.db2.gz JOXYVZIZJUNXQQ-UHFFFAOYSA-N 0 0 196.319 2.854 10 30 AFEERN C=CCCc1csc([C@H](C)OC)n1 388757363 538437301 /nfs/dbraw/zinc/43/73/01/538437301.db2.gz DBDDLDJTDUBDFK-QMMMGPOBSA-N 0 0 197.303 2.969 10 30 AFEERN C=CCCCNC(=O)[C@H](C)CCC 388744084 538437359 /nfs/dbraw/zinc/43/73/59/538437359.db2.gz YPHNFRKIDBFVDH-SNVBAGLBSA-N 0 0 183.295 2.505 10 30 AFEERN C=CCCCNC(=O)[C@@H](C)CCC 388744064 538437448 /nfs/dbraw/zinc/43/74/48/538437448.db2.gz YPHNFRKIDBFVDH-JTQLQIEISA-N 0 0 183.295 2.505 10 30 AFEERN C=CCc1cccc(Cn2ccnc2)c1 667946084 538442056 /nfs/dbraw/zinc/44/20/56/538442056.db2.gz VUVUNGHQJLAJAY-UHFFFAOYSA-N 0 0 198.269 2.660 10 30 AFEERN C=CCc1ccc(C2(O)CCC2)cc1 667946073 538442115 /nfs/dbraw/zinc/44/21/15/538442115.db2.gz RAHYPMZQVRIVON-UHFFFAOYSA-N 0 0 188.270 2.787 10 30 AFEERN C=CCc1cccc(-c2ncc[nH]2)c1 667946056 538442120 /nfs/dbraw/zinc/44/21/20/538442120.db2.gz HWJNEVJYMDICIA-UHFFFAOYSA-N 0 0 184.242 2.805 10 30 AFEERN C=CCc1ccc(C)cc1C#N 667946089 538442156 /nfs/dbraw/zinc/44/21/56/538442156.db2.gz YSAOULAXSPRDPQ-UHFFFAOYSA-N 0 0 157.216 2.595 10 30 AFEERN C=CCc1ccc(Cl)c(N)c1 667943875 538442165 /nfs/dbraw/zinc/44/21/65/538442165.db2.gz YVFYNYXBAOMRBM-UHFFFAOYSA-N 0 0 167.639 2.651 10 30 AFEERN C=CCc1ccc(C(C)=O)cc1F 667946068 538442182 /nfs/dbraw/zinc/44/21/82/538442182.db2.gz NFSHVRSEWZKUDM-UHFFFAOYSA-N 0 0 178.206 2.757 10 30 AFEERN C=CCc1cccc2c1OC(F)(F)O2 667946860 538442184 /nfs/dbraw/zinc/44/21/84/538442184.db2.gz AHYNPBPQXULKHL-UHFFFAOYSA-N 0 0 198.168 2.737 10 30 AFEERN C=CCc1ccc(C)c(C#N)c1 667943877 538442201 /nfs/dbraw/zinc/44/22/01/538442201.db2.gz ZXFSSUSUGOIFIQ-UHFFFAOYSA-N 0 0 157.216 2.595 10 30 AFEERN C=CCc1cccc(Cn2cccn2)c1 667946087 538442232 /nfs/dbraw/zinc/44/22/32/538442232.db2.gz XVIAKZCMJIVNOV-UHFFFAOYSA-N 0 0 198.269 2.660 10 30 AFEERN C=CCc1c(F)cc(F)cc1F 667941152 538442237 /nfs/dbraw/zinc/44/22/37/538442237.db2.gz OBSWHFOCLQFNHS-UHFFFAOYSA-N 0 0 172.149 2.832 10 30 AFEERN C=CCc1ccc(N)c(SC)c1 667946052 538442262 /nfs/dbraw/zinc/44/22/62/538442262.db2.gz CWPOKPRRLYIFGD-UHFFFAOYSA-N 0 0 179.288 2.719 10 30 AFEERN C=CCc1cccc2ccn(C)c12 667946859 538442282 /nfs/dbraw/zinc/44/22/82/538442282.db2.gz ACCKRYWNROAIAX-UHFFFAOYSA-N 0 0 171.243 2.907 10 30 AFEERN C=CCc1ccc(C)cc1OC 667946066 538442296 /nfs/dbraw/zinc/44/22/96/538442296.db2.gz LGZJZHZPORLXLD-UHFFFAOYSA-N 0 0 162.232 2.732 10 30 AFEERN CCCCc1sc(C#N)nc1C 669379620 538444803 /nfs/dbraw/zinc/44/48/03/538444803.db2.gz GZKVNHRAXATTOS-UHFFFAOYSA-N 0 0 180.276 2.666 10 30 AFEERN CC1(C)CCCCC[C@@]12O[C@@H]2C#N 669383401 538446278 /nfs/dbraw/zinc/44/62/78/538446278.db2.gz QKJZDGATBAMBTA-KOLCDFICSA-N 0 0 179.263 2.638 10 30 AFEERN C=CCc1cccc(CCOC)c1 669382674 538446414 /nfs/dbraw/zinc/44/64/14/538446414.db2.gz MBOYYVRCFRAOIL-UHFFFAOYSA-N 0 0 176.259 2.604 10 30 AFEERN CC1(C)CCCCC[C@@]12O[C@H]2C#N 669383404 538446548 /nfs/dbraw/zinc/44/65/48/538446548.db2.gz QKJZDGATBAMBTA-ONGXEEELSA-N 0 0 179.263 2.638 10 30 AFEERN CC1(C)CCCCC[C@]12O[C@H]2C#N 669383400 538446625 /nfs/dbraw/zinc/44/66/25/538446625.db2.gz QKJZDGATBAMBTA-GXSJLCMTSA-N 0 0 179.263 2.638 10 30 AFEERN CC1(C)CCCCC[C@]12O[C@@H]2C#N 669383403 538446693 /nfs/dbraw/zinc/44/66/93/538446693.db2.gz QKJZDGATBAMBTA-MWLCHTKSSA-N 0 0 179.263 2.638 10 30 AFEERN CC(C)[C@@H]1CCCCC[C@@]12O[C@H]2C#N 669383959 538446854 /nfs/dbraw/zinc/44/68/54/538446854.db2.gz YTKAUZDOYQPDPW-SDDRHHMPSA-N 0 0 193.290 2.884 10 30 AFEERN N#C[C@@H]1O[C@]12CC[C@@H]1CCCC[C@H]1C2 669384357 538446876 /nfs/dbraw/zinc/44/68/76/538446876.db2.gz ULLZZOGLGQOSLV-BJDJZHNGSA-N 0 0 191.274 2.638 10 30 AFEERN CC(C)[C@@H]1CCCCC[C@@]12O[C@@H]2C#N 669383957 538446879 /nfs/dbraw/zinc/44/68/79/538446879.db2.gz YTKAUZDOYQPDPW-QJPTWQEYSA-N 0 0 193.290 2.884 10 30 AFEERN N#C[C@@H]1O[C@]12CC[C@H]1CCCC[C@H]1C2 669384358 538446909 /nfs/dbraw/zinc/44/69/09/538446909.db2.gz ULLZZOGLGQOSLV-RHYQMDGZSA-N 0 0 191.274 2.638 10 30 AFEERN N#C[C@@H]1O[C@]12CC[C@@H]1CCCC[C@@H]1C2 669384359 538446996 /nfs/dbraw/zinc/44/69/96/538446996.db2.gz ULLZZOGLGQOSLV-USZNOCQGSA-N 0 0 191.274 2.638 10 30 AFEERN N#C[C@@H]1O[C@]12CC[C@H]1CCCC[C@@H]1C2 669384360 538446998 /nfs/dbraw/zinc/44/69/98/538446998.db2.gz ULLZZOGLGQOSLV-WYUUTHIRSA-N 0 0 191.274 2.638 10 30 AFEERN CC(C)[C@@H]1CCCCC[C@]12O[C@H]2C#N 669383960 538447002 /nfs/dbraw/zinc/44/70/02/538447002.db2.gz YTKAUZDOYQPDPW-SRVKXCTJSA-N 0 0 193.290 2.884 10 30 AFEERN CC(C)[C@@H]1CCCCC[C@]12O[C@@H]2C#N 669383961 538447022 /nfs/dbraw/zinc/44/70/22/538447022.db2.gz YTKAUZDOYQPDPW-TUAOUCFPSA-N 0 0 193.290 2.884 10 30 AFEERN CC(C)Cc1ccccc1CC#N 142870834 541305572 /nfs/dbraw/zinc/30/55/72/541305572.db2.gz HUQXZTOQSLLIAQ-UHFFFAOYSA-N 0 0 173.259 2.951 10 30 AFEERN CC#CCCOc1ccc(F)cc1C 157758675 541308176 /nfs/dbraw/zinc/30/81/76/541308176.db2.gz BBELWYWXCWLYNI-UHFFFAOYSA-N 0 0 192.233 2.926 10 30 AFEERN CC#CCCOc1ccccc1C 157746202 541308468 /nfs/dbraw/zinc/30/84/68/541308468.db2.gz BFTVDWBISXMGBL-UHFFFAOYSA-N 0 0 174.243 2.787 10 30 AFEERN CC#CCCOc1ccccc1F 157745423 541308711 /nfs/dbraw/zinc/30/87/11/541308711.db2.gz DKDFUEJZEXOMOS-UHFFFAOYSA-N 0 0 178.206 2.618 10 30 AFEERN CC#CCCOc1ccc(F)cc1 157746386 541308741 /nfs/dbraw/zinc/30/87/41/541308741.db2.gz GVHMGFPKBKJHAQ-UHFFFAOYSA-N 0 0 178.206 2.618 10 30 AFEERN C=CCCc1ccccc1NC(C)=O 168141648 541313069 /nfs/dbraw/zinc/31/30/69/541313069.db2.gz JHOKBQJSONKJFV-UHFFFAOYSA-N 0 0 189.258 2.764 10 30 AFEERN O=CCCCCCCC1CC1 215654383 541317090 /nfs/dbraw/zinc/31/70/90/541317090.db2.gz KIKRYQZJKPZBEB-UHFFFAOYSA-N 0 0 154.253 2.936 10 30 AFEERN Cc1nc(C#N)sc1CC(C)C 669380991 541349245 /nfs/dbraw/zinc/34/92/45/541349245.db2.gz VEQOOFVAKYYTNM-UHFFFAOYSA-N 0 0 180.276 2.522 10 30 AFEERN N#Cc1cccc(Nc2cccnc2)c1 82719785 756977333 /nfs/dbraw/zinc/97/73/33/756977333.db2.gz IZWNAMUVSNXLBM-UHFFFAOYSA-N 0 0 195.225 2.697 10 30 AFEERN N#Cc1ncccc1Nc1ccccc1 88248118 756981037 /nfs/dbraw/zinc/98/10/37/756981037.db2.gz WHFTWSUEMRHIQW-UHFFFAOYSA-N 0 0 195.225 2.697 10 30 AFEERN C#CCCN1CCCCc2ccccc21 88334581 756981154 /nfs/dbraw/zinc/98/11/54/756981154.db2.gz ASMFDPOLLDZQNB-UHFFFAOYSA-N 0 0 199.297 2.853 10 30 AFEERN C=C(C)CNc1nncc2ccccc12 167636947 757016775 /nfs/dbraw/zinc/01/67/75/757016775.db2.gz OPOHVLPGFIEJIC-UHFFFAOYSA-N 0 0 199.257 2.618 10 30 AFEERN C#CCN(c1ccccc1)C(C)C 196796773 757023841 /nfs/dbraw/zinc/02/38/41/757023841.db2.gz GUXIRXMKTHLOPV-UHFFFAOYSA-N 0 0 173.259 2.535 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OCCC 196695140 757025190 /nfs/dbraw/zinc/02/51/90/757025190.db2.gz CTIVEUBNDZYOFW-SECBINFHSA-N 0 0 170.252 2.542 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OCCC 196695132 757026144 /nfs/dbraw/zinc/02/61/44/757026144.db2.gz CTIVEUBNDZYOFW-VIFPVBQESA-N 0 0 170.252 2.542 10 30 AFEERN Cc1ccc([C@H](C)N[C@H](C)CC#N)o1 38097782 571715989 /nfs/dbraw/zinc/71/59/89/571715989.db2.gz WEFYAKZQKNGFNU-SCZZXKLOSA-N 0 0 192.262 2.541 10 30 AFEERN C=C(C)CNc1c(F)cccc1OC 306795132 757074322 /nfs/dbraw/zinc/07/43/22/757074322.db2.gz UIBGQSDFSUUXBH-UHFFFAOYSA-N 0 0 195.237 2.822 10 30 AFEERN CC1=C2CC[C@H](C)[C@H]2CC(=O)C=C1 39168476 571905279 /nfs/dbraw/zinc/90/52/79/571905279.db2.gz UEBZYHYXOGXEFS-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN CC(=O)/C=C/[C@@H]1CC=CC[C@@H]1C 39254591 571916682 /nfs/dbraw/zinc/91/66/82/571916682.db2.gz TXVCAEVELYCMHW-QARYBLBWSA-N 0 0 164.248 2.734 10 30 AFEERN CC1=C/C(=N\N(C)C)CC(C)(C)C1 139346506 571916683 /nfs/dbraw/zinc/91/66/83/571916683.db2.gz QONGSCGAAGFKGT-ZRDIBKRKSA-N 0 0 180.295 2.670 10 30 AFEERN C#C[C@](C)(CC)Nc1ncccc1C 306820456 757078121 /nfs/dbraw/zinc/07/81/21/757078121.db2.gz DPVHZFOPOCTUGI-GFCCVEGCSA-N 0 0 188.274 2.604 10 30 AFEERN C=C(CC)CC(=O)[C@@H](CCC)OC 131908225 571686470 /nfs/dbraw/zinc/68/64/70/571686470.db2.gz ILBBPQIWJKLUEN-LLVKDONJSA-N 0 0 184.279 2.727 10 30 AFEERN C=C(C)CN(C)c1cccc(Cl)n1 306977940 757082634 /nfs/dbraw/zinc/08/26/34/757082634.db2.gz CYSZVEJXCGYZEZ-UHFFFAOYSA-N 0 0 196.681 2.747 10 30 AFEERN Cc1sc(Cl)cc1CC#N 214017560 571704918 /nfs/dbraw/zinc/70/49/18/571704918.db2.gz YUNPBKICMCKNMV-UHFFFAOYSA-N 0 0 171.652 2.776 10 30 AFEERN C#C[C@](C)(CC)Nc1cc(C)ccn1 307247347 757087495 /nfs/dbraw/zinc/08/74/95/757087495.db2.gz ZWBKTFJGVJDIJK-GFCCVEGCSA-N 0 0 188.274 2.604 10 30 AFEERN C#C[C@@](C)(CC)Nc1cc(C)ccn1 307247348 757088503 /nfs/dbraw/zinc/08/85/03/757088503.db2.gz ZWBKTFJGVJDIJK-LBPRGKRZSA-N 0 0 188.274 2.604 10 30 AFEERN C=C1CC[C@@H](C(C)C)C1 139811768 571971601 /nfs/dbraw/zinc/97/16/01/571971601.db2.gz WXOIYNVWYPGHLS-SECBINFHSA-N 0 0 124.227 2.999 10 30 AFEERN Cc1cnc2c(c1)c(C#N)cn2C(C)C 214179584 571727308 /nfs/dbraw/zinc/72/73/08/571727308.db2.gz HBSBJTZPCWNZOO-UHFFFAOYSA-N 0 0 199.257 2.797 10 30 AFEERN CCc1cc(Cl)cc(CC#N)c1 214230035 571736412 /nfs/dbraw/zinc/73/64/12/571736412.db2.gz ADRLAISDCRQTBA-UHFFFAOYSA-N 0 0 179.650 2.968 10 30 AFEERN Cc1cc(C)c([C@@H](C)C#N)c(C)c1O 214565188 571861340 /nfs/dbraw/zinc/86/13/40/571861340.db2.gz HPYCLDBBQXHVGX-VIFPVBQESA-N 0 0 189.258 2.945 10 30 AFEERN CC1(C)CCC1=NOCC1CC1 308076470 757099878 /nfs/dbraw/zinc/09/98/78/757099878.db2.gz FVIPJVJAEYXGNO-UHFFFAOYSA-N 0 0 167.252 2.589 10 30 AFEERN C[C@@H]1CC[C@H](C=O)C(C)(C)C1 39062588 571875850 /nfs/dbraw/zinc/87/58/50/571875850.db2.gz YWXSDBNBMZQLCA-RKDXNWHRSA-N 0 0 154.253 2.648 10 30 AFEERN C=C(C)C(=O)/C=C\c1ccccc1 114067007 571998003 /nfs/dbraw/zinc/99/80/03/571998003.db2.gz RZJWLSPNMSHOHK-HJWRWDBZSA-N 0 0 172.227 2.845 10 30 AFEERN C=C(C)CCC(=O)CC[C@H]1CCOC1 401269198 571906388 /nfs/dbraw/zinc/90/63/88/571906388.db2.gz LDJFYTAUNNXZTI-NSHDSACASA-N 0 0 196.290 2.729 10 30 AFEERN C=CCc1cnc2[nH]ccc2c1Cl 117568984 571910164 /nfs/dbraw/zinc/91/01/64/571910164.db2.gz SIOIGVJBFABTMH-UHFFFAOYSA-N 0 0 192.649 2.945 10 30 AFEERN C=CCc1c[nH]c2ccc(O)cc12 139392780 571919341 /nfs/dbraw/zinc/91/93/41/571919341.db2.gz LQIBEHFRVZDIRE-UHFFFAOYSA-N 0 0 173.215 2.602 10 30 AFEERN C=C1C[C@H]2CCC(=O)C[C@@]2(C)C1 196141392 571921783 /nfs/dbraw/zinc/92/17/83/571921783.db2.gz IAKVTLOAIAILTL-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)[C@H]1C(=C)C=CC[C@H]1OC(C)=O 139417542 571921803 /nfs/dbraw/zinc/92/18/03/571921803.db2.gz YJIDJJQLHFCUCZ-NEPJUHHUSA-N 0 0 192.258 2.627 10 30 AFEERN C=C(C)CCC(=O)[C@H](C)CSC 300781582 571921811 /nfs/dbraw/zinc/92/18/11/571921811.db2.gz VCIDUSSFXUIWTG-SECBINFHSA-N 0 0 186.320 2.911 10 30 AFEERN C/C(C[C@@H](C)Nc1ccccc1)=N\O 39331176 571922551 /nfs/dbraw/zinc/92/25/51/571922551.db2.gz JNGQWHINENKTKA-YPJZTRPGSA-N 0 0 192.262 2.727 10 30 AFEERN C=C(C)C[C@H]1CCC(=O)C=C1C 196141692 571923003 /nfs/dbraw/zinc/92/30/03/571923003.db2.gz CDVJSYQTLHCLFA-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C#CCCC[C@H](O)[C@@H]1CCC[C@@H](C)C1 227904866 571953936 /nfs/dbraw/zinc/95/39/36/571953936.db2.gz OEMRSJZWEVZJOH-UPJWGTAASA-N 0 0 194.318 2.977 10 30 AFEERN CCCCCCCC[C@H](C)NC=O 113464505 571965695 /nfs/dbraw/zinc/96/56/95/571965695.db2.gz HAICPRWAXRCXSR-NSHDSACASA-N 0 0 185.311 2.872 10 30 AFEERN CC1=C[C@H](C(C)C)CCC1=O 32135354 571965701 /nfs/dbraw/zinc/96/57/01/571965701.db2.gz BPIZZOZTEBWEPT-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccccc1N=NC(C)C 33552590 572022325 /nfs/dbraw/zinc/02/23/25/572022325.db2.gz NFOJFUZCPKANRT-UHFFFAOYSA-N 0 0 162.236 2.803 10 30 AFEERN O=C[C@H]1CC=CC[C@H]1c1ccccc1 32167968 571970150 /nfs/dbraw/zinc/97/01/50/571970150.db2.gz WITLEFZOBQHSSB-OLZOCXBDSA-N 0 0 186.254 2.935 10 30 AFEERN C=C[C@](C)(CC)COC(=O)C(C)C 379394016 757126523 /nfs/dbraw/zinc/12/65/23/757126523.db2.gz WGFNATGUZZYMRG-LLVKDONJSA-N 0 0 184.279 2.788 10 30 AFEERN C=C[C@@](C)(CC)COC(=O)C(C)C 379394017 757126809 /nfs/dbraw/zinc/12/68/09/757126809.db2.gz WGFNATGUZZYMRG-NSHDSACASA-N 0 0 184.279 2.788 10 30 AFEERN O=CCCCCc1cc(F)ccc1F 71425498 572024176 /nfs/dbraw/zinc/02/41/76/572024176.db2.gz AMNHKTQKHFAFBK-UHFFFAOYSA-N 0 0 198.212 2.877 10 30 AFEERN CC1=C([C@@H](C)C=O)CCCC1 32226091 571973818 /nfs/dbraw/zinc/97/38/18/571973818.db2.gz HABLJLFVEUVISK-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CC1=CC(=O)[C@@](C)(C(C)C)CC1 32226883 571974192 /nfs/dbraw/zinc/97/41/92/571974192.db2.gz BBWORFHCQMXICH-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(=O)C[C@H]2CC=CC[C@]12C 32227973 571974204 /nfs/dbraw/zinc/97/42/04/571974204.db2.gz HFZVZKLOLURZOK-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CC[C@@H](CC#N)[NH2+]C[C@H](C)C(C)C 81059160 571974216 /nfs/dbraw/zinc/97/42/16/571974216.db2.gz AZJCUFOTUZBSOD-QWRGUYRKSA-N 0 0 182.311 2.560 10 30 AFEERN CC1=C([C@H](C)C=O)CCCC1 32226093 571974223 /nfs/dbraw/zinc/97/42/23/571974223.db2.gz HABLJLFVEUVISK-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN CC1=CC(=O)C[C@H]2CC=CC[C@@]12C 32227977 571974242 /nfs/dbraw/zinc/97/42/42/571974242.db2.gz HFZVZKLOLURZOK-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCC(=O)C[C@@H]1CCC(F)(F)C1 300837235 571979387 /nfs/dbraw/zinc/97/93/87/571979387.db2.gz IDJJVFHRPAPMFR-QMMMGPOBSA-N 0 0 188.217 2.957 10 30 AFEERN Cc1cccc([C@H]2C[C@@H]2C#N)c1 41167351 571979428 /nfs/dbraw/zinc/97/94/28/571979428.db2.gz UMZNQVFMXNAMHA-GHMZBOCLSA-N 0 0 157.216 2.622 10 30 AFEERN CCc1ccc2c(c1)[C@H](C#N)CC2 41168449 571979485 /nfs/dbraw/zinc/97/94/85/571979485.db2.gz VGWZREOUIHKTCI-NSHDSACASA-N 0 0 171.243 2.802 10 30 AFEERN CCc1ccc(C(C)(C)C=O)cc1 41199549 571979843 /nfs/dbraw/zinc/97/98/43/571979843.db2.gz SNXRKJVSMKYTMF-UHFFFAOYSA-N 0 0 176.259 2.726 10 30 AFEERN CC[C@H](C#N)c1ccccc1OC 41199174 571979871 /nfs/dbraw/zinc/97/98/71/571979871.db2.gz YKIGGTJSIVVUIY-SECBINFHSA-N 0 0 175.231 2.712 10 30 AFEERN CC[C@H](C)N[C@@H](C#N)[C@H](C)CC(C)C 300834745 571979872 /nfs/dbraw/zinc/97/98/72/571979872.db2.gz CLIVQHHBDMXKER-WOPDTQHZSA-N 0 0 196.338 2.949 10 30 AFEERN Cc1ccc2c(c1C)OCC[C@@H]2C#N 41203918 571980699 /nfs/dbraw/zinc/98/06/99/571980699.db2.gz SUFNXRKBWRFARK-SNVBAGLBSA-N 0 0 187.242 2.693 10 30 AFEERN CCOc1ccc([C@H]2C[C@@H]2C#N)cc1 41203848 571980704 /nfs/dbraw/zinc/98/07/04/571980704.db2.gz SWJMCPHXXQYXHO-ZYHUDNBSSA-N 0 0 187.242 2.712 10 30 AFEERN CCON(CC)CCCC(C)(C)C#N 401205320 757146547 /nfs/dbraw/zinc/14/65/47/757146547.db2.gz CDYMYICTCIBESV-UHFFFAOYSA-N 0 0 198.310 2.590 10 30 AFEERN O=CC1(C[C@@H]2CCCOC2)CCCC1 689397440 571981040 /nfs/dbraw/zinc/98/10/40/571981040.db2.gz HDUDVPVHKLPXJZ-NSHDSACASA-N 0 0 196.290 2.562 10 30 AFEERN Cc1cc(C)c(C)c([C@H]2CO2)c1C 41199600 571981052 /nfs/dbraw/zinc/98/10/52/571981052.db2.gz HYUQEXBCKYYHIY-LLVKDONJSA-N 0 0 176.259 2.992 10 30 AFEERN C[C@H]1C[C@@H](C#N)c2cc(F)ccc21 41199078 571981139 /nfs/dbraw/zinc/98/11/39/571981139.db2.gz WCZJAABXUVJPLJ-YUMQZZPRSA-N 0 0 175.206 2.940 10 30 AFEERN CC(C)C[C@@H](C)[C@@H](O)C1(C#N)CCC1 300915948 572045895 /nfs/dbraw/zinc/04/58/95/572045895.db2.gz MJFSNPTWIGUVRL-GHMZBOCLSA-N 0 0 195.306 2.723 10 30 AFEERN CC#C[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C 196160995 571981272 /nfs/dbraw/zinc/98/12/72/571981272.db2.gz PMTIBXSQHXDPRO-UPJWGTAASA-N 0 0 194.318 2.833 10 30 AFEERN C=C1C[C@H](C)C[C@@H](CC(C)=O)C1 196452394 572045902 /nfs/dbraw/zinc/04/59/02/572045902.db2.gz RHJIYTLDJJAYII-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C#N)c1ccc(OC)c(F)c1 41206164 571982598 /nfs/dbraw/zinc/98/25/98/571982598.db2.gz HQQLQGFILIZIIA-MRVPVSSYSA-N 0 0 193.221 2.851 10 30 AFEERN CCCCOc1ccc([C@H]2CO2)cc1 34559552 571983926 /nfs/dbraw/zinc/98/39/26/571983926.db2.gz BIKZOIMAGDSSOU-GFCCVEGCSA-N 0 0 192.258 2.937 10 30 AFEERN CC(=O)CC[C@@H]1C(=O)C=CCC[C@H]1C 13399690 571981033 /nfs/dbraw/zinc/98/10/33/571981033.db2.gz PGQIQXCQGGDEBH-KOLCDFICSA-N 0 0 194.274 2.527 10 30 AFEERN CC(C)[C@@]12CC=CC[C@]1(C)O2 39103163 571986573 /nfs/dbraw/zinc/98/65/73/571986573.db2.gz SRUCEOWYKRJRQG-UWVGGRQHSA-N 0 0 152.237 2.520 10 30 AFEERN N#CCC[C@H]1CCCCCCC1=O 196162411 571986991 /nfs/dbraw/zinc/98/69/91/571986991.db2.gz HOGLAHNCLICYLM-SNVBAGLBSA-N 0 0 179.263 2.830 10 30 AFEERN C[C@H](C#C[Si](C)(C)C(C)(C)C)CO 196172618 571987565 /nfs/dbraw/zinc/98/75/65/571987565.db2.gz XAWDLDHQUVTLRZ-SNVBAGLBSA-N 0 0 198.382 2.666 10 30 AFEERN N#CC[C@@H](F)c1ccccc1 34108209 572054330 /nfs/dbraw/zinc/05/43/30/572054330.db2.gz HKCKOCROIBBUHG-SECBINFHSA-N 0 0 149.168 2.611 10 30 AFEERN Cc1ccsc1[C@H](C#N)NC(C)C 41673266 571992906 /nfs/dbraw/zinc/99/29/06/571992906.db2.gz IKIXDKKMGDTXPX-VIFPVBQESA-N 0 0 194.303 2.619 10 30 AFEERN C=C=C(C(C)=O)c1cccc(C)c1 140006482 571992919 /nfs/dbraw/zinc/99/29/19/571992919.db2.gz CMQJBWMJJLJPJD-UHFFFAOYSA-N 0 0 172.227 2.752 10 30 AFEERN C=C(C)[C@@H]1CC=C(C)C(=O)C1C=O 207001567 571993307 /nfs/dbraw/zinc/99/33/07/571993307.db2.gz PRISKLYAIKPBNA-CMWXKVOJSA-N 0 0 178.231 2.540 10 30 AFEERN C=C(C)C[C@@H](NN)[C@H](C)CCCC 300861409 571994226 /nfs/dbraw/zinc/99/42/26/571994226.db2.gz CMIGOAXYCROYCU-GHMZBOCLSA-N 0 0 184.327 2.611 10 30 AFEERN C=C(C)C[C@H](NN)[C@@H](C)CCCC 300861413 571994259 /nfs/dbraw/zinc/99/42/59/571994259.db2.gz CMIGOAXYCROYCU-QWRGUYRKSA-N 0 0 184.327 2.611 10 30 AFEERN C=CCCCC1([C@H](C)O)CC1 235567902 571994279 /nfs/dbraw/zinc/99/42/79/571994279.db2.gz IDLOPFNAOHAINT-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN O=C[C@@H]1CCCCC2=CCC[C@@H]21 140007589 571994289 /nfs/dbraw/zinc/99/42/89/571994289.db2.gz VLBNAUCKBHHZPW-QWRGUYRKSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)[C@@H]1CCC(=O)[C@@]1(C)CCC#N 34589805 571995449 /nfs/dbraw/zinc/99/54/49/571995449.db2.gz PBUMANBFZXWIOZ-JQWIXIFHSA-N 0 0 191.274 2.852 10 30 AFEERN C#CCNc1ccc2c(c1)CCCC2 404519804 757190718 /nfs/dbraw/zinc/19/07/18/757190718.db2.gz OSPPGAVEWVBSMZ-UHFFFAOYSA-N 0 0 185.270 2.611 10 30 AFEERN CCc1oc2ccsc2c1C#N 74307158 571996707 /nfs/dbraw/zinc/99/67/07/571996707.db2.gz FZOSNKJPEKQOGX-UHFFFAOYSA-N 0 0 177.228 2.928 10 30 AFEERN CC1=CCC2(CCCCC2)C1=O 34571569 572095603 /nfs/dbraw/zinc/09/56/03/572095603.db2.gz YKJHEEAMTDKUMK-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CC(C)CCC[C@H](C)C#N 60004899 572004194 /nfs/dbraw/zinc/00/41/94/572004194.db2.gz AHGKTDMTUMZVTH-VIFPVBQESA-N 0 0 139.242 2.972 10 30 AFEERN C=CC(=O)C(C)(C)CCCC 59987602 572002239 /nfs/dbraw/zinc/00/22/39/572002239.db2.gz PVXHUZWNADBVLC-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C/C=C/C(=O)CCOc1ccccc1 687697323 572003089 /nfs/dbraw/zinc/00/30/89/572003089.db2.gz DHMCCMPOAJMBHP-QHHAFSJGSA-N 0 0 190.242 2.601 10 30 AFEERN CC[C@](C#N)(CCC#N)c1ccncc1 34183954 572003124 /nfs/dbraw/zinc/00/31/24/572003124.db2.gz RVKHZVGEIPSUPC-GFCCVEGCSA-N 0 0 199.257 2.557 10 30 AFEERN CC[C@H](C#N)N[C@@H](C)CCC(C)C 68944636 572003799 /nfs/dbraw/zinc/00/37/99/572003799.db2.gz ZEIGKSOMILQWNI-WDEREUQCSA-N 0 0 182.311 2.703 10 30 AFEERN CCCCC[C@H](C=O)OC(C)(C)C 238217866 572003806 /nfs/dbraw/zinc/00/38/06/572003806.db2.gz AVFGJULRTIXWES-SNVBAGLBSA-N 0 0 186.295 2.949 10 30 AFEERN C[C@H]1CC=C(C(=O)C(F)(F)F)CC1 687697764 572003832 /nfs/dbraw/zinc/00/38/32/572003832.db2.gz YCUYZSZEZXGYMO-LURJTMIESA-N 0 0 192.180 2.864 10 30 AFEERN C[C@@H]1CCCC[C@@H]1C(Cl)=NO 394839850 572003857 /nfs/dbraw/zinc/00/38/57/572003857.db2.gz NSFNDFOAILWVRR-RQJHMYQMSA-N 0 0 175.659 2.839 10 30 AFEERN C=CCCCC(=O)c1cnc(C)s1 235814702 572006352 /nfs/dbraw/zinc/00/63/52/572006352.db2.gz CUYCLIWANRKVJK-UHFFFAOYSA-N 0 0 195.287 2.991 10 30 AFEERN Cc1cc(Nc2cccc(C#N)c2)no1 687697606 572008174 /nfs/dbraw/zinc/00/81/74/572008174.db2.gz BTWANEOFJASVKL-UHFFFAOYSA-N 0 0 199.213 2.598 10 30 AFEERN CCCC[C@](C#N)(CC)NCC1CC1 68988579 572012618 /nfs/dbraw/zinc/01/26/18/572012618.db2.gz LWAMNJRCLDGAIS-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN C/C=C/C(=O)CCOCCC(C)C 687698632 572016100 /nfs/dbraw/zinc/01/61/00/572016100.db2.gz FETCJLWQMXFSBJ-SNAWJCMRSA-N 0 0 184.279 2.584 10 30 AFEERN C[C@H](C#N)CN[C@H](C)c1cccs1 35206879 572016408 /nfs/dbraw/zinc/01/64/08/572016408.db2.gz KUVXGQVNHRFXCI-RKDXNWHRSA-N 0 0 194.303 2.558 10 30 AFEERN C[C@H](C#N)CN[C@@H](C)c1cccs1 35206877 572016416 /nfs/dbraw/zinc/01/64/16/572016416.db2.gz KUVXGQVNHRFXCI-BDAKNGLRSA-N 0 0 194.303 2.558 10 30 AFEERN CCC(=CC(=O)C[C@H]1CCCO1)CC 687698808 572016447 /nfs/dbraw/zinc/01/64/47/572016447.db2.gz NSGPTXCVGZRKOJ-GFCCVEGCSA-N 0 0 196.290 2.871 10 30 AFEERN O=CCCCCCCC(=O)C1CC1 238608156 572026148 /nfs/dbraw/zinc/02/61/48/572026148.db2.gz JJMVXGLYGMQMNF-UHFFFAOYSA-N 0 0 182.263 2.505 10 30 AFEERN C=CC[C@H](O)C[C@@H](C)CC(C)C 300893554 572026160 /nfs/dbraw/zinc/02/61/60/572026160.db2.gz KDPGZNXJOTWUCL-QWRGUYRKSA-N 0 0 170.296 2.996 10 30 AFEERN CCCCC[C@H](C)[NH2+][C@@H](C)CC#N 42570289 572034981 /nfs/dbraw/zinc/03/49/81/572034981.db2.gz UMAZDLDOKNCUTH-QWRGUYRKSA-N 0 0 182.311 2.847 10 30 AFEERN CC[C@@H](C#N)C(=O)CCC(C)(C)C 300906591 572039861 /nfs/dbraw/zinc/03/98/61/572039861.db2.gz RLHOGRLLPAUVBX-VIFPVBQESA-N 0 0 181.279 2.932 10 30 AFEERN CC(C)C[C@H](C)CN(CC#N)C(C)C 300919014 572048473 /nfs/dbraw/zinc/04/84/73/572048473.db2.gz MRNPQYYJDKDICR-LBPRGKRZSA-N 0 0 196.338 2.903 10 30 AFEERN C=C[C@H](O)[C@H]1CC(C)=C[C@H](C)C1 300011251 572050042 /nfs/dbraw/zinc/05/00/42/572050042.db2.gz IFRYNNIFZVSOSL-GDPRMGEGSA-N 0 0 166.264 2.526 10 30 AFEERN CCC1=CC[C@H](CC=O)C1(C)C 34060644 572051384 /nfs/dbraw/zinc/05/13/84/572051384.db2.gz YQTSQQZVXSEZPU-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN O=C[C@@H]1CCC[C@@]12CCCCC(=O)C2 34061254 572051391 /nfs/dbraw/zinc/05/13/91/572051391.db2.gz VWMQIUDHKLQUEW-CMPLNLGQSA-N 0 0 194.274 2.505 10 30 AFEERN C[C@H]1CCC[C@@H](S)[C@@H]1C 82857487 572156709 /nfs/dbraw/zinc/15/67/09/572156709.db2.gz ZJZQKHDZCJYKAM-XLPZGREQSA-N 0 0 144.283 2.741 10 30 AFEERN C=C1C[C@@H](C)C[C@@H](CC(C)=O)C1 196452406 572055622 /nfs/dbraw/zinc/05/56/22/572055622.db2.gz RHJIYTLDJJAYII-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN CCCCCCCCO[C@@H](C)C=O 78069539 572058428 /nfs/dbraw/zinc/05/84/28/572058428.db2.gz HLRMWQKFPNIFGS-NSHDSACASA-N 0 0 186.295 2.951 10 30 AFEERN CC(C)C[C@@H]1C=CC(=O)CC1 34316286 572071793 /nfs/dbraw/zinc/07/17/93/572071793.db2.gz ZGIBMCONUPTGTA-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@H](CC#N)Sc1ccccn1 36679418 572062478 /nfs/dbraw/zinc/06/24/78/572062478.db2.gz RHVRENFGOWXRLT-SECBINFHSA-N 0 0 192.287 2.866 10 30 AFEERN CCCN[C@@]1(C#N)CCC[C@H](C)[C@@H]1C 82860167 572156732 /nfs/dbraw/zinc/15/67/32/572156732.db2.gz OZNSAZLXFBVHKW-SDDRHHMPSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)N=Nc1ccc(F)cc1 34244989 572067847 /nfs/dbraw/zinc/06/78/47/572067847.db2.gz QDTJDKXHZJXPIG-UHFFFAOYSA-N 0 0 166.199 2.633 10 30 AFEERN C=CCCOc1ccnc(Cl)c1 82605480 572067848 /nfs/dbraw/zinc/06/78/48/572067848.db2.gz TXAFRJLYBJYGPR-UHFFFAOYSA-N 0 0 183.638 2.690 10 30 AFEERN O=CC1(CCOC2CC2)CCCCC1 711659549 572067873 /nfs/dbraw/zinc/06/78/73/572067873.db2.gz RFEUXMQBFHLDLC-UHFFFAOYSA-N 0 0 196.290 2.705 10 30 AFEERN C[C@H]1CC[C@@H](C)[C@](Cl)(C#N)C1 82861955 572157415 /nfs/dbraw/zinc/15/74/15/572157415.db2.gz NLFCHWIUIZGXGS-DJLDLDEBSA-N 0 0 171.671 2.944 10 30 AFEERN CCCN[C@H](C#N)[C@@H](C)CC(C)C 300925686 572069278 /nfs/dbraw/zinc/06/92/78/572069278.db2.gz NHFSFYXJMUHUOB-WDEREUQCSA-N 0 0 182.311 2.560 10 30 AFEERN CCCN[C@@H](C#N)[C@@H](C)CC(C)C 300925685 572069319 /nfs/dbraw/zinc/06/93/19/572069319.db2.gz NHFSFYXJMUHUOB-QWRGUYRKSA-N 0 0 182.311 2.560 10 30 AFEERN N#CCSc1ccc(O)c(Cl)c1 34278815 572069417 /nfs/dbraw/zinc/06/94/17/572069417.db2.gz PLUDPLJNTJHQCY-UHFFFAOYSA-N 0 0 199.662 2.661 10 30 AFEERN Cc1c(CC=O)ccc2ccccc12 34305134 572072975 /nfs/dbraw/zinc/07/29/75/572072975.db2.gz DZLKBHINQDVXEU-UHFFFAOYSA-N 0 0 184.238 2.890 10 30 AFEERN CCCCCC#C/C=C\[C@H](C)O 219483038 572073370 /nfs/dbraw/zinc/07/33/70/572073370.db2.gz VGFSKBBWGZQZFD-JUDLJHIGSA-N 0 0 166.264 2.507 10 30 AFEERN CC/C=C/CC[C@H](C)C=O 34300422 572073377 /nfs/dbraw/zinc/07/33/77/572073377.db2.gz GQQOUCMKIUZZDC-MOVJSRMASA-N 0 0 140.226 2.568 10 30 AFEERN C[C@H]1C(=O)C=C[C@]2(C)CCCC[C@H]12 16927700 572083422 /nfs/dbraw/zinc/08/34/22/572083422.db2.gz AXROIMSDXXLWMB-FOGDFJRCSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)(C)[C@@H]1CC=CC(=O)C1 34478794 572085272 /nfs/dbraw/zinc/08/52/72/572085272.db2.gz HKCXYOVZUYHZRL-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN O=C1CCCC/C1=C\c1ccoc1 34479467 572086170 /nfs/dbraw/zinc/08/61/70/572086170.db2.gz NBSXEYHMSVFOAS-JXMROGBWSA-N 0 0 176.215 2.806 10 30 AFEERN Cc1ccc2occ(CC#N)c2c1 34489274 572086588 /nfs/dbraw/zinc/08/65/88/572086588.db2.gz RLEIZDSJRPXZOI-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN C=C(C)[C@@H]1CC[C@]1(C)CC=O 34499986 572088246 /nfs/dbraw/zinc/08/82/46/572088246.db2.gz IEPKFGTVUCUSFU-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN O=C1CCC=C1Cc1ccccc1 34519044 572088275 /nfs/dbraw/zinc/08/82/75/572088275.db2.gz XRBBUGRKGAYBKK-UHFFFAOYSA-N 0 0 172.227 2.518 10 30 AFEERN CS[C@@H](/C=C/C(C)=O)C(C)C 34519046 572089437 /nfs/dbraw/zinc/08/94/37/572089437.db2.gz JVAOULLDLVOARW-CYNONHLPSA-N 0 0 172.293 2.519 10 30 AFEERN CC1(C)C=C2C(=O)CC[C@]2(C)C1 34599166 572100477 /nfs/dbraw/zinc/10/04/77/572100477.db2.gz QAZYKNSJYYBUML-LLVKDONJSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H](C=O)CCc1cc(F)ccc1F 82762930 572100501 /nfs/dbraw/zinc/10/05/01/572100501.db2.gz XLTHISZJNHVICS-QMMMGPOBSA-N 0 0 198.212 2.732 10 30 AFEERN C=C(C)[C@H]1CCC(C)(C)[C@@H]1C=O 34617982 572100575 /nfs/dbraw/zinc/10/05/75/572100575.db2.gz AEPUVDUCMZWGKY-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@H](C=O)CCc1ccc(F)cc1F 82762943 572100597 /nfs/dbraw/zinc/10/05/97/572100597.db2.gz UJWPYVGPLXVHJH-MRVPVSSYSA-N 0 0 198.212 2.732 10 30 AFEERN C[C@@H]1C=C[C@@H]2CCCC[C@H]2[C@@H]1C=O 34604347 572101303 /nfs/dbraw/zinc/10/13/03/572101303.db2.gz NJWBSBXNPXUFOL-WRWGMCAJSA-N 0 0 178.275 2.814 10 30 AFEERN C[C@@H](C=O)CCc1cccc(F)c1 82762745 572101311 /nfs/dbraw/zinc/10/13/11/572101311.db2.gz CYNFHFLBSSKILR-SECBINFHSA-N 0 0 180.222 2.593 10 30 AFEERN C[C@@H](C=O)CCc1cccc(F)c1F 82762917 572101319 /nfs/dbraw/zinc/10/13/19/572101319.db2.gz KMCBYROXJIWBOI-MRVPVSSYSA-N 0 0 198.212 2.732 10 30 AFEERN Cc1cccc(CC[C@@H](C)C=O)c1 82762906 572101366 /nfs/dbraw/zinc/10/13/66/572101366.db2.gz NTWLRKYVNULMPD-LLVKDONJSA-N 0 0 176.259 2.763 10 30 AFEERN C[C@@H](C=O)CCc1ccccc1F 82762870 572101369 /nfs/dbraw/zinc/10/13/69/572101369.db2.gz ZEIAAHKKQHADOD-SECBINFHSA-N 0 0 180.222 2.593 10 30 AFEERN SC[C@@H]1C[C@@H]1c1ccccc1 71477110 572103304 /nfs/dbraw/zinc/10/33/04/572103304.db2.gz GWNUQOUGPARVDD-VHSXEESVSA-N 0 0 164.273 2.720 10 30 AFEERN C=CCC[C@H](NN)[C@H](C)CCCC 300935625 572103338 /nfs/dbraw/zinc/10/33/38/572103338.db2.gz NBQLWPYDXGBEIV-MNOVXSKESA-N 0 0 184.327 2.611 10 30 AFEERN C=C1[C@H](C[C@H](C)O)[C@]1(C)C(C)C 307476602 572506458 /nfs/dbraw/zinc/50/64/58/572506458.db2.gz HCLOLQDZVVOKNL-INTQDDNPSA-N 0 0 168.280 2.606 10 30 AFEERN C[C@H]1CCC[C@]2(CC(=O)C=CO2)[C@@H]1C 82862289 572157447 /nfs/dbraw/zinc/15/74/47/572157447.db2.gz OLSCAEPRFZCQPD-UMNHJUIQSA-N 0 0 194.274 2.684 10 30 AFEERN CC(C[C@@H]1CC=CCC1)=NO 307865124 572674661 /nfs/dbraw/zinc/67/46/61/572674661.db2.gz LNQDQYXEKOLDTC-SECBINFHSA-N 0 0 153.225 2.583 10 30 AFEERN C=C(C)CC[C@H](O)[C@H]1CCO[C@H]1CC 300392010 572162876 /nfs/dbraw/zinc/16/28/76/572162876.db2.gz YHZSWURRODYQHO-WOPDTQHZSA-N 0 0 198.306 2.519 10 30 AFEERN C=CCOc1c(C=O)cccc1CC 692091099 757372340 /nfs/dbraw/zinc/37/23/40/757372340.db2.gz HGXKFGWFYRKTQJ-UHFFFAOYSA-N 0 0 190.242 2.626 10 30 AFEERN CCCCC#CC[C@@H]1CCC[C@@H]1O 307624247 572676452 /nfs/dbraw/zinc/67/64/52/572676452.db2.gz RQZTVIFBEMRRRJ-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN C=CC[C@@H]1CCCCC[C@H](O)C1 306530980 572678951 /nfs/dbraw/zinc/67/89/51/572678951.db2.gz KITWZSBVDUWJQK-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN C=CC[C@@](O)(CC)CCC 220973045 572192476 /nfs/dbraw/zinc/19/24/76/572192476.db2.gz QSGLPKZZNUDQAG-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN N#CCc1ccc2[nH]ccc2c1Cl 214615447 572195311 /nfs/dbraw/zinc/19/53/11/572195311.db2.gz DMUGQXJUPCJRON-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN Cc1cc(C)c(SCC=O)c(C)c1 19686079 572195346 /nfs/dbraw/zinc/19/53/46/572195346.db2.gz WOJLWYPWGCECJA-UHFFFAOYSA-N 0 0 194.299 2.903 10 30 AFEERN N#CCc1cccc2[nH]cc(Cl)c12 214614813 572195361 /nfs/dbraw/zinc/19/53/61/572195361.db2.gz ZNURPKKLPLZXGS-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN CC[C@@H](C#N)N1CCCCCCC1 43556174 572197240 /nfs/dbraw/zinc/19/72/40/572197240.db2.gz WRZRHWDWPUZVQY-NSHDSACASA-N 0 0 180.295 2.555 10 30 AFEERN CC[C@@H](C#N)c1ccc(F)cc1 19728890 572197266 /nfs/dbraw/zinc/19/72/66/572197266.db2.gz AUEFELYBECJLIV-QMMMGPOBSA-N 0 0 163.195 2.843 10 30 AFEERN CC[C@@H](C#N)Nc1cccc(F)c1F 43540751 572197730 /nfs/dbraw/zinc/19/77/30/572197730.db2.gz FCFACHIBGCWKSI-ZETCQYMHSA-N 0 0 196.200 2.679 10 30 AFEERN CCc1ccc([C@H](C)C#N)cc1 19728847 572199022 /nfs/dbraw/zinc/19/90/22/572199022.db2.gz ZGHYMWHUAWSZDY-SECBINFHSA-N 0 0 159.232 2.876 10 30 AFEERN C[C@H]1CCC[C@@]2(C)CC(=O)C=C12 36404241 572207301 /nfs/dbraw/zinc/20/73/01/572207301.db2.gz IHMPYIPDTOMBTD-KWQFWETISA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C(C(C)C)C(=O)C[C@@H](C)C1 36436896 572208658 /nfs/dbraw/zinc/20/86/58/572208658.db2.gz BSOBNQWQEZJCDE-QMMMGPOBSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=C(CC#N)C(C)(C)[C@H](C=O)CC1 36420287 572209964 /nfs/dbraw/zinc/20/99/64/572209964.db2.gz MWJLOAHWIXYOLW-JTQLQIEISA-N 0 0 191.274 2.852 10 30 AFEERN CC(C)=CCCCCC=O 36455642 572210898 /nfs/dbraw/zinc/21/08/98/572210898.db2.gz GHEWOVQEZDDGPR-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN CCCC[C@@H]1C(=O)C=C[C@H]1C 196473844 572214016 /nfs/dbraw/zinc/21/40/16/572214016.db2.gz XPBPNAHGKTVKMQ-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](O)C[C@@H]1CCC(F)(F)C1 300987578 572225008 /nfs/dbraw/zinc/22/50/08/572225008.db2.gz SZAUDTKSCGUGMA-IUCAKERBSA-N 0 0 190.233 2.749 10 30 AFEERN CON(CC(C)(C)C)[C@H](C)CCC#N 695785926 757417560 /nfs/dbraw/zinc/41/75/60/757417560.db2.gz GVSUIAGIVTZYQM-SNVBAGLBSA-N 0 0 198.310 2.588 10 30 AFEERN CON(CC(C)(C)C)[C@@H](C)CCC#N 695785925 757418685 /nfs/dbraw/zinc/41/86/85/757418685.db2.gz GVSUIAGIVTZYQM-JTQLQIEISA-N 0 0 198.310 2.588 10 30 AFEERN C=CCC[C@H](/C=C\CCO)CC 222512221 572236698 /nfs/dbraw/zinc/23/66/98/572236698.db2.gz WIHDKKCRXONMGT-DHHDDZJSSA-N 0 0 168.280 2.917 10 30 AFEERN C#C[C@@H](O)/C=C(/C)CCC=C(C)C 222672524 572237124 /nfs/dbraw/zinc/23/71/24/572237124.db2.gz WTSDXOPWAUFEPJ-UCQJPZFISA-N 0 0 178.275 2.673 10 30 AFEERN CC(C)SCCn1cccc1C#N 308205746 572936526 /nfs/dbraw/zinc/93/65/26/572936526.db2.gz YQCRLDRTPPTWAA-UHFFFAOYSA-N 0 0 194.303 2.501 10 30 AFEERN Cc1ccc(O[C@@H](C=O)C(C)C)cc1 238793371 572414574 /nfs/dbraw/zinc/41/45/74/572414574.db2.gz LDZRREZJRXGZOZ-LBPRGKRZSA-N 0 0 192.258 2.597 10 30 AFEERN CCCC[C@@H](O)/C=C1/CCCCC1=O 238794419 572415340 /nfs/dbraw/zinc/41/53/40/572415340.db2.gz PVQMHLDSFNXMLB-DWOQACPDSA-N 0 0 196.290 2.607 10 30 AFEERN CCC[C@@H](C=O)C1C=CC=CC=C1 238794802 572417162 /nfs/dbraw/zinc/41/71/62/572417162.db2.gz XTPRXZCWKIVLID-LBPRGKRZSA-N 0 0 176.259 2.900 10 30 AFEERN C=C[C@H](OCC)[C@@H](O)C1CCCCC1 238254618 572460928 /nfs/dbraw/zinc/46/09/28/572460928.db2.gz FOHXQRGYHPYWHG-RYUDHWBXSA-N 0 0 198.306 2.519 10 30 AFEERN C=C[C@H](OCC)[C@H](O)C1CCCCC1 238254684 572460986 /nfs/dbraw/zinc/46/09/86/572460986.db2.gz FOHXQRGYHPYWHG-NWDGAFQWSA-N 0 0 198.306 2.519 10 30 AFEERN CC[C@@H](C#C[Si](C)(C)C)[C@H](O)CC 221425527 572460990 /nfs/dbraw/zinc/46/09/90/572460990.db2.gz BAERCTYJZOGDJO-WDEREUQCSA-N 0 0 198.382 2.664 10 30 AFEERN Cc1ccc(CCCS)cc1 58518141 572952749 /nfs/dbraw/zinc/95/27/49/572952749.db2.gz YUGRLJXOLFSOAL-UHFFFAOYSA-N 0 0 166.289 2.857 10 30 AFEERN C=C[C@@H]1C[C@@H]1C(=O)CC(C)(C)C 238144567 572952760 /nfs/dbraw/zinc/95/27/60/572952760.db2.gz HLESNNRQHRNVIP-BDAKNGLRSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1ccc(Cl)cc1OCCC=O 84058948 572486643 /nfs/dbraw/zinc/48/66/43/572486643.db2.gz REMQEOMJNKNZSI-UHFFFAOYSA-N 0 0 198.649 2.616 10 30 AFEERN C=C(C)[C@@H]1CC(C)=C[C@@H](CCO)C1 307317178 572497263 /nfs/dbraw/zinc/49/72/63/572497263.db2.gz KHDHRBNPZTXXKF-VXGBXAGGSA-N 0 0 180.291 2.917 10 30 AFEERN C=CCN[C@H](C#N)CC1CCCCC1 87473614 572507194 /nfs/dbraw/zinc/50/71/94/572507194.db2.gz WSQLAWBWWVHRRO-LBPRGKRZSA-N 0 0 192.306 2.625 10 30 AFEERN CC(C)c1nc(C(C)C)c(CC#N)o1 74268972 572518759 /nfs/dbraw/zinc/51/87/59/572518759.db2.gz PSHDDKWGSIBYBM-UHFFFAOYSA-N 0 0 192.262 2.987 10 30 AFEERN C#Cc1ccc2nc(C)sc2c1 307443119 572519759 /nfs/dbraw/zinc/51/97/59/572519759.db2.gz BAKVLDTZRKXHFA-UHFFFAOYSA-N 0 0 173.240 2.586 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@H]1C(=C)CO 307420872 572523664 /nfs/dbraw/zinc/52/36/64/572523664.db2.gz ZTFJPFOXCPUYHI-USWWRNFRSA-N 0 0 180.291 2.773 10 30 AFEERN Cc1nc(CC#N)oc1C1CCCC1 74274237 572534271 /nfs/dbraw/zinc/53/42/71/572534271.db2.gz MCFKQZAHWDDLQP-UHFFFAOYSA-N 0 0 190.246 2.707 10 30 AFEERN C=C(C)c1coc2ccccc2c1=O 307437450 572537290 /nfs/dbraw/zinc/53/72/90/572537290.db2.gz SDOGKEVTGRUYPC-UHFFFAOYSA-N 0 0 186.210 2.826 10 30 AFEERN C#CCCOC(=O)C(C)(C)CC(C)C 753394550 757484548 /nfs/dbraw/zinc/48/45/48/757484548.db2.gz DQFVXHMWOZLMTD-UHFFFAOYSA-N 0 0 196.290 2.625 10 30 AFEERN C=C1[C@@H](C)CCCCC[C@H]1O 306303643 572611857 /nfs/dbraw/zinc/61/18/57/572611857.db2.gz BFWRKDFTQSEUDO-WCBMZHEXSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(CCO)Cc1ccc(CC)cc1 238358936 572611873 /nfs/dbraw/zinc/61/18/73/572611873.db2.gz NUPAFQUXCOGLBF-UHFFFAOYSA-N 0 0 190.286 2.730 10 30 AFEERN C=C(C)C[C@H](C)C(=O)O[C@@H]1C=CCC1 768010147 757488645 /nfs/dbraw/zinc/48/86/45/757488645.db2.gz KWWHQOLFFHHRCO-WDEREUQCSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)O[C@@H]1C=CCC1 768010143 757488810 /nfs/dbraw/zinc/48/88/10/757488810.db2.gz KWWHQOLFFHHRCO-GHMZBOCLSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)O[C@H]1C=CCC1 768010144 757488878 /nfs/dbraw/zinc/48/88/78/757488878.db2.gz KWWHQOLFFHHRCO-MNOVXSKESA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](CC)OC(=O)CCCC#CC 768011133 757488995 /nfs/dbraw/zinc/48/89/95/757488995.db2.gz NWFNHQVCAAGENU-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C=C(C)C[C@H](C)C(=O)O[C@H]1C=CCC1 768010146 757489148 /nfs/dbraw/zinc/48/91/48/757489148.db2.gz KWWHQOLFFHHRCO-QWRGUYRKSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@@H](CC)OC(=O)CCCC#CC 768011136 757489202 /nfs/dbraw/zinc/48/92/02/757489202.db2.gz NWFNHQVCAAGENU-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C=CC(=C)[C@@H](O)CC[C@H](C)CCOC 238367663 572632958 /nfs/dbraw/zinc/63/29/58/572632958.db2.gz KJWMWABSVWPJSC-JQWIXIFHSA-N 0 0 198.306 2.542 10 30 AFEERN C=C[C@@](C)(c1ccccc1)[C@@H](C)O 306482105 572632960 /nfs/dbraw/zinc/63/29/60/572632960.db2.gz HYWDYTKZKDXTOM-ZYHUDNBSSA-N 0 0 176.259 2.511 10 30 AFEERN C=CCC[C@](C)(O)c1ccsc1 132175928 573236141 /nfs/dbraw/zinc/23/61/41/573236141.db2.gz JRGBGZPMDFCYJV-JTQLQIEISA-N 0 0 182.288 2.922 10 30 AFEERN CCc1[nH]c2oc(C)cc2c1C#N 74309259 572635378 /nfs/dbraw/zinc/63/53/78/572635378.db2.gz VLKCIGPGMOKQBQ-UHFFFAOYSA-N 0 0 174.203 2.503 10 30 AFEERN C=C[C@@H](C)Nc1ccc(C)cc1C#N 235274205 572635415 /nfs/dbraw/zinc/63/54/15/572635415.db2.gz WEMVAXABJWEPKY-SNVBAGLBSA-N 0 0 186.258 2.853 10 30 AFEERN Fc1ccccc1C=NOC1CCC1 812237744 757493626 /nfs/dbraw/zinc/49/36/26/757493626.db2.gz CRZIWBISLVRXFH-UHFFFAOYSA-N 0 0 193.221 2.729 10 30 AFEERN CC(C)OCCON=CC1(C)CCC1 812239128 757493901 /nfs/dbraw/zinc/49/39/01/757493901.db2.gz NNOHSUDPLWQVLX-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN N#Cc1cccc2nc(C3CC3)oc12 107130117 572635442 /nfs/dbraw/zinc/63/54/42/572635442.db2.gz NDOWOKUSXMLTSO-UHFFFAOYSA-N 0 0 184.198 2.577 10 30 AFEERN CC(C)OCCON=CCCC1CC1 812238688 757494173 /nfs/dbraw/zinc/49/41/73/757494173.db2.gz CTLORRLFWKPDRA-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN C=C(C)COC(=O)CC(C)(C)C1CC1 815469371 757495946 /nfs/dbraw/zinc/49/59/46/757495946.db2.gz HVZPJTXGSNASEE-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN CC#CCSCc1cccnc1C 307675645 572639410 /nfs/dbraw/zinc/63/94/10/572639410.db2.gz FZZSAXRUPIOJGP-UHFFFAOYSA-N 0 0 191.299 2.647 10 30 AFEERN C=CCCOC(=O)CC(C)(C)C1CC1 815467522 757496251 /nfs/dbraw/zinc/49/62/51/757496251.db2.gz AFRGWQHIAPOBDX-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=C(CC)C[C@H](C)[C@H](O)CC 85064720 572651797 /nfs/dbraw/zinc/65/17/97/572651797.db2.gz PAEKVBSHWFIOQR-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN C=C1C[C@@]23CCC[C@]2(C)C[C@H](O)[C@@H]13 307698453 572659655 /nfs/dbraw/zinc/65/96/55/572659655.db2.gz HZMITPVQXJRZPU-IRCOFANPSA-N 0 0 178.275 2.504 10 30 AFEERN CCO[C@H](C#N)[C@@H](C)c1ccccc1 85090369 572659671 /nfs/dbraw/zinc/65/96/71/572659671.db2.gz ABPJPVIBQCYWFJ-CMPLNLGQSA-N 0 0 189.258 2.719 10 30 AFEERN C=C1CC[C@@H]2[C@H](C)CC[C@@H](O)[C@@H]2C1 306419339 572659680 /nfs/dbraw/zinc/65/96/80/572659680.db2.gz XBHPOSXRVQQVMT-DDHJBXDOSA-N 0 0 180.291 2.750 10 30 AFEERN C=CC(=O)CSc1cccc(C)c1 85106663 572659706 /nfs/dbraw/zinc/65/97/06/572659706.db2.gz DKHPZXCPKIVUBW-UHFFFAOYSA-N 0 0 192.283 2.842 10 30 AFEERN CCCC(C#N)(CCC)OCC 85090437 572660427 /nfs/dbraw/zinc/66/04/27/572660427.db2.gz HPMSCENLZFLFLX-UHFFFAOYSA-N 0 0 169.268 2.885 10 30 AFEERN CCO[C@H](C#N)c1ccc(CC)cc1 85090587 572660455 /nfs/dbraw/zinc/66/04/55/572660455.db2.gz JPMGSUUOAVRJBK-GFCCVEGCSA-N 0 0 189.258 2.850 10 30 AFEERN C=CC(=O)CSc1cccc(F)c1 85089904 572660499 /nfs/dbraw/zinc/66/04/99/572660499.db2.gz XAKUXYSJZHZBMB-UHFFFAOYSA-N 0 0 196.246 2.673 10 30 AFEERN CCCCCON=C1CCC1 307862623 572662504 /nfs/dbraw/zinc/66/25/04/572662504.db2.gz HSABICDZJXVCKI-UHFFFAOYSA-N 0 0 155.241 2.733 10 30 AFEERN C/C(=N/O)c1ccc(F)cc1Cl 70199582 572662507 /nfs/dbraw/zinc/66/25/07/572662507.db2.gz IFHYGPFRNWLGMF-WZUFQYTHSA-N 0 0 187.601 2.677 10 30 AFEERN C=CC[C@]1(O)CC2CCC1CC2 307604525 572673886 /nfs/dbraw/zinc/67/38/86/572673886.db2.gz WJVCTGFLURHXIJ-ILDUYXDCSA-N 0 0 166.264 2.504 10 30 AFEERN CO[C@H](CC=O)c1ccccc1Cl 238400371 572673943 /nfs/dbraw/zinc/67/39/43/572673943.db2.gz WSSCFCRHFHCDFQ-SNVBAGLBSA-N 0 0 198.649 2.617 10 30 AFEERN C=CCCC(=O)[C@@H]1CCCCS1 87701799 572676482 /nfs/dbraw/zinc/67/64/82/572676482.db2.gz GMXBAYGDKDYVHF-JTQLQIEISA-N 0 0 184.304 2.807 10 30 AFEERN C=C[C@@H]1[C@@H](O)CCC[C@H]1C(=C)C 306587523 572676597 /nfs/dbraw/zinc/67/65/97/572676597.db2.gz MOJSXIXADPCIOC-DCAQKATOSA-N 0 0 166.264 2.526 10 30 AFEERN CC[C@H](F)CSCCCC#N 307868876 572679124 /nfs/dbraw/zinc/67/91/24/572679124.db2.gz KRVRQMWPHHBNME-QMMMGPOBSA-N 0 0 175.272 2.771 10 30 AFEERN CSC(=S)C[C@@H](C)[C@@H](C)C=O 238406287 572679193 /nfs/dbraw/zinc/67/91/93/572679193.db2.gz SOLWUSLPBOVBFN-RQJHMYQMSA-N 0 0 190.333 2.538 10 30 AFEERN C=C[C@@H]1CC[C@@]2(C)CCC(=O)C[C@H]12 306508449 572679194 /nfs/dbraw/zinc/67/91/94/572679194.db2.gz APZVSYDBMJAOQQ-JLLWLGSASA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@@H](O)C1(CCC)CC1 307639422 572679247 /nfs/dbraw/zinc/67/92/47/572679247.db2.gz BPMIPORZKIAMMP-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN COc1c(C)ccc(Cl)c1CC#N 214834457 572701196 /nfs/dbraw/zinc/70/11/96/572701196.db2.gz RVXNJUFZJMQMKZ-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN CC[C@H](C=O)c1cccc(C)c1 107159833 573388353 /nfs/dbraw/zinc/38/83/53/573388353.db2.gz CCRHHJRANYRDLL-SNVBAGLBSA-N 0 0 162.232 2.688 10 30 AFEERN CC1(C)C=CC[C@]1(C)CC=O 196862440 572701200 /nfs/dbraw/zinc/70/12/00/572701200.db2.gz AIZSHOZHOLKAGD-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN C#CCCC[C@@]1(O)CC(C)(C)C[C@@H]1C 235609914 573493505 /nfs/dbraw/zinc/49/35/05/573493505.db2.gz QUNMQJOQKVKBML-WCQYABFASA-N 0 0 194.318 2.977 10 30 AFEERN CC[C@H]1CCCC[C@@]1(C#N)NC1CC1 70568453 572706551 /nfs/dbraw/zinc/70/65/51/572706551.db2.gz DZVMSUUWOILPOM-JQWIXIFHSA-N 0 0 192.306 2.601 10 30 AFEERN C=C1[C@H](C(C)(C)C)[C@H]1[C@H](O)CC 306644952 572706572 /nfs/dbraw/zinc/70/65/72/572706572.db2.gz NUDPGDIIGNOYMH-BBBLOLIVSA-N 0 0 168.280 2.606 10 30 AFEERN CC[C@@H]1CCCC[C@]1(C#N)NC1CC1 70568454 572706584 /nfs/dbraw/zinc/70/65/84/572706584.db2.gz DZVMSUUWOILPOM-ZYHUDNBSSA-N 0 0 192.306 2.601 10 30 AFEERN CCN[C@@]1(C#N)CCC[C@H](CC)CC1 83436063 573504786 /nfs/dbraw/zinc/50/47/86/573504786.db2.gz XBWIBCYBMDQZIR-RYUDHWBXSA-N 0 0 194.322 2.849 10 30 AFEERN C=C1[C@H]2CC(C)=C[C@@H]3[C@H]2[C@]3(C)C[C@H]1O 306682529 572706651 /nfs/dbraw/zinc/70/66/51/572706651.db2.gz RNHQYHUHYMXFNV-NJMOYASZSA-N 0 0 190.286 2.526 10 30 AFEERN C[C@@H](CC=O)CCc1cccs1 238442082 572720688 /nfs/dbraw/zinc/72/06/88/572720688.db2.gz YFHOMYJMSFJLBJ-SECBINFHSA-N 0 0 182.288 2.906 10 30 AFEERN C[C@H](O)c1cccc(CCCC#N)c1 238441122 572720699 /nfs/dbraw/zinc/72/06/99/572720699.db2.gz UCOKHDFMUUFTKK-JTQLQIEISA-N 0 0 189.258 2.586 10 30 AFEERN C#C[C@@H](O)C(C)(C)CC1=CCC[C@H]1C 238442325 573585459 /nfs/dbraw/zinc/58/54/59/573585459.db2.gz KUGVUMAWWSMOJF-ZYHUDNBSSA-N 0 0 192.302 2.753 10 30 AFEERN Cc1cc(F)c(N[C@H](C)C#N)cc1F 235226332 572721621 /nfs/dbraw/zinc/72/16/21/572721621.db2.gz OZMRPGHJCYNLSE-SSDOTTSWSA-N 0 0 196.200 2.597 10 30 AFEERN N#CCSC1CCC(F)(F)CC1 885579408 757546612 /nfs/dbraw/zinc/54/66/12/757546612.db2.gz GQDOCNCLMYMOIW-UHFFFAOYSA-N 0 0 191.246 2.821 10 30 AFEERN CC[C@H](C)c1ccc(O)c(C=NO)c1 254407734 572733176 /nfs/dbraw/zinc/73/31/76/572733176.db2.gz QQJYDMQRLRLPKP-QMMMGPOBSA-N 0 0 193.246 2.714 10 30 AFEERN CC(=O)C[C@@H](C)/C=C/CCCC#N 308109947 572733249 /nfs/dbraw/zinc/73/32/49/572733249.db2.gz MNOVZKPDTXUDMG-STUBTGCMSA-N 0 0 179.263 2.852 10 30 AFEERN COc1ccccc1C1(C#N)CC=CC1 87848740 572734161 /nfs/dbraw/zinc/73/41/61/572734161.db2.gz UPNMGHAHIDXLSL-UHFFFAOYSA-N 0 0 199.253 2.807 10 30 AFEERN CCc1ccc2c(c1)C(=NO)C[C@@H]2C 714540651 572734186 /nfs/dbraw/zinc/73/41/86/572734186.db2.gz VJCSRTRBXFISRO-QMMMGPOBSA-N 0 0 189.258 2.935 10 30 AFEERN O=C[C@@H](F)CC1CCCCCC1 257902716 573900180 /nfs/dbraw/zinc/90/01/80/573900180.db2.gz PDEYGHWYRZTJTO-JTQLQIEISA-N 0 0 172.243 2.884 10 30 AFEERN C=C1CCC(C(=O)N(C)C(C)C)CC1 887890703 757564051 /nfs/dbraw/zinc/56/40/51/757564051.db2.gz FHMBPINNCVYNIR-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C[C@H]1CC=C(C(=O)C2=CCCO2)CC1 235327146 572734102 /nfs/dbraw/zinc/73/41/02/572734102.db2.gz GEAWKQYKPDDEDE-VIFPVBQESA-N 0 0 192.258 2.606 10 30 AFEERN CC(C)[C@@H](C)NN=CC1(C)CCC1 308131758 572791911 /nfs/dbraw/zinc/79/19/11/572791911.db2.gz BHXGCILATRRZKQ-SNVBAGLBSA-N 0 0 182.311 2.797 10 30 AFEERN C=CCCC(C)=NN[C@H](C)C(C)C 308131752 572791913 /nfs/dbraw/zinc/79/19/13/572791913.db2.gz BHJHQQHOGLUAEU-LLVKDONJSA-N 0 0 182.311 2.963 10 30 AFEERN C=CC[C@H](CC1CCC(C)CC1)NN 308466211 573936436 /nfs/dbraw/zinc/93/64/36/573936436.db2.gz GMRLVUIUSSBGJS-HTAVTVPLSA-N 0 0 196.338 2.611 10 30 AFEERN C=CC[C@@](O)(CCC)C1CC1 307933627 572793888 /nfs/dbraw/zinc/79/38/88/572793888.db2.gz WSWDHVCOPGURBY-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC[C@@](C)(O)C1(C)CC1 307719221 572794059 /nfs/dbraw/zinc/79/40/59/572794059.db2.gz QTHQIQATCPBDSK-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN CCCC#C[C@@H](O)/C=C\CCC 307936095 572794070 /nfs/dbraw/zinc/79/40/70/572794070.db2.gz MKVAGWFXKZZKJS-DVBBHNHCSA-N 0 0 166.264 2.507 10 30 AFEERN CCCCC#CC[C@@H](C)CCO 307936432 572798035 /nfs/dbraw/zinc/79/80/35/572798035.db2.gz NFZDOQXYFMQMDA-LLVKDONJSA-N 0 0 168.280 2.589 10 30 AFEERN Cc1cccc([C@@H](O)[C@H](C)CC#N)c1 49806415 572811268 /nfs/dbraw/zinc/81/12/68/572811268.db2.gz BZPXOEKOYLGISH-PWSUYJOCSA-N 0 0 189.258 2.578 10 30 AFEERN CCC[C@H](C)[C@@H]1CCC[C@@H](C=O)O1 308133831 572811338 /nfs/dbraw/zinc/81/13/38/572811338.db2.gz MGUNMVRWAORLKT-DCAQKATOSA-N 0 0 184.279 2.559 10 30 AFEERN C=C(CC)C[C@@H](O)C[C@@H]1CCCCO1 128286485 574031530 /nfs/dbraw/zinc/03/15/30/574031530.db2.gz UOTHPAZQNJKPAS-NEPJUHHUSA-N 0 0 198.306 2.663 10 30 AFEERN CC[C@@H]1CCCC1=NN(C)CC 307957577 572839687 /nfs/dbraw/zinc/83/96/87/572839687.db2.gz SHSIAVMFAPHAAA-SECBINFHSA-N 0 0 168.284 2.504 10 30 AFEERN C=C[C@]12CCCC[C@@H]1CC[C@H](O)C2 307085321 572872433 /nfs/dbraw/zinc/87/24/33/572872433.db2.gz MGVOQSLUKAJEOQ-GRYCIOLGSA-N 0 0 180.291 2.894 10 30 AFEERN CC(=NOC(C)(C)C)c1ccncc1 1116404299 757598257 /nfs/dbraw/zinc/59/82/57/757598257.db2.gz FCYFIRWWJCHOOM-UHFFFAOYSA-N 0 0 192.262 2.621 10 30 AFEERN CC(C)(C)/C=C\CCC=O 75527974 572876002 /nfs/dbraw/zinc/87/60/02/572876002.db2.gz OWWHHARZHALSPU-ALCCZGGFSA-N 0 0 140.226 2.568 10 30 AFEERN CC/C=C\[C@H](CC)[C@H](C)C=O 75541913 572878910 /nfs/dbraw/zinc/87/89/10/572878910.db2.gz ARDUXRFBHJCUIF-FACRAVRUSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)[C@]1(C#N)C=CCCC1 75538620 572878930 /nfs/dbraw/zinc/87/89/30/572878930.db2.gz AOOJFSYUUSVUME-SNVBAGLBSA-N 0 0 149.237 2.892 10 30 AFEERN CC(C)(C#N)[C@H]1CC=CCC1 75538534 572878949 /nfs/dbraw/zinc/87/89/49/572878949.db2.gz XPTVQTLXVSGZAB-VIFPVBQESA-N 0 0 149.237 2.892 10 30 AFEERN CCCCC(CC)=NNCCC 307971292 572879653 /nfs/dbraw/zinc/87/96/53/572879653.db2.gz HHQJKNQULPIVKU-UHFFFAOYSA-N 0 0 170.300 2.942 10 30 AFEERN CCCCC=NN1CCCCC1 307971191 572879834 /nfs/dbraw/zinc/87/98/34/572879834.db2.gz HFEKWOMTIOBNQB-UHFFFAOYSA-N 0 0 168.284 2.648 10 30 AFEERN Cc1cc2c(C)cccc2c(N)c1C#N 75599378 572879968 /nfs/dbraw/zinc/87/99/68/572879968.db2.gz XUEDMCPFCUYGMH-UHFFFAOYSA-N 0 0 196.253 2.911 10 30 AFEERN CCCCC(C)=NNCC1CC1 307974667 572895463 /nfs/dbraw/zinc/89/54/63/572895463.db2.gz JVVKIJQBKBMDGG-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN CC(C)[C@H](C)C[C@@H](C#N)N1CCCC1 75597196 572895543 /nfs/dbraw/zinc/89/55/43/572895543.db2.gz GRIIICNKRZJFRH-NEPJUHHUSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)[C@H](C)C[C@H](C#N)N1CCCC1 75597204 572895589 /nfs/dbraw/zinc/89/55/89/572895589.db2.gz GRIIICNKRZJFRH-VXGBXAGGSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)c1cc(C#N)ccc1F 75839294 572902361 /nfs/dbraw/zinc/90/23/61/572902361.db2.gz VZGJTPQNVMZGCJ-UHFFFAOYSA-N 0 0 163.195 2.821 10 30 AFEERN C#C/C=C\[C@H](O)CCCCCC=C 308173898 572902373 /nfs/dbraw/zinc/90/23/73/572902373.db2.gz YKBWIADUXBGHOP-GYGFLDJKSA-N 0 0 178.275 2.673 10 30 AFEERN CO[C@@H]1CCCC(=NOC(C)(C)C)C1 1116873623 757614273 /nfs/dbraw/zinc/61/42/73/757614273.db2.gz CTMZBWXTJLYVCJ-SNVBAGLBSA-N 0 0 199.294 2.747 10 30 AFEERN C=C[C@H](/C=C(/C)c1ccccc1)CO 238023756 572914072 /nfs/dbraw/zinc/91/40/72/572914072.db2.gz YFADLZCSHKMRPU-UCQJPZFISA-N 0 0 188.270 2.884 10 30 AFEERN C=C(C)[C@@H](O)CC(C)(C)CC#CC 238026389 572914150 /nfs/dbraw/zinc/91/41/50/572914150.db2.gz HQSZRGHBSYQQJH-NSHDSACASA-N 0 0 180.291 2.753 10 30 AFEERN Cc1ccc(C(=O)CCS)c(C)c1 57489548 572914156 /nfs/dbraw/zinc/91/41/56/572914156.db2.gz LQRGNBAYUZFDEB-UHFFFAOYSA-N 0 0 194.299 2.806 10 30 AFEERN C/C=C/N[C@H](C#N)/C=C/c1ccccc1 238023469 572915168 /nfs/dbraw/zinc/91/51/68/572915168.db2.gz ZFBLDBPCTXHRKL-FOENYITISA-N 0 0 198.269 2.715 10 30 AFEERN C=C[C@@H](/C=C(/C)[Si](C)(C)C)CO 238023258 572915173 /nfs/dbraw/zinc/91/51/73/572915173.db2.gz QXQWOFMOWAWLBL-RNKPRXRFSA-N 0 0 184.355 2.605 10 30 AFEERN SCc1csc(-c2ccco2)n1 57490266 572915175 /nfs/dbraw/zinc/91/51/75/572915175.db2.gz TVDNCUBDRKZVHQ-UHFFFAOYSA-N 0 0 197.284 2.833 10 30 AFEERN C=C[C@H](C=C(C)C)[C@H](O)/C=C/C 238038139 572915965 /nfs/dbraw/zinc/91/59/65/572915965.db2.gz QXOPHVYSCRMXRL-HOGLGZINSA-N 0 0 166.264 2.692 10 30 AFEERN C=CCC(=O)CCCCCC#N 238045638 572915969 /nfs/dbraw/zinc/91/59/69/572915969.db2.gz IFTNUQLMFJNRJL-UHFFFAOYSA-N 0 0 165.236 2.606 10 30 AFEERN COC1(C=NOC(C)(C)C)CCCC1 1116760077 757621658 /nfs/dbraw/zinc/62/16/58/757621658.db2.gz DGTVTFPIRAXVQF-UHFFFAOYSA-N 0 0 199.294 2.747 10 30 AFEERN C=C[C@H](O)C(C)(C)CCC(=C)C 238079327 572920369 /nfs/dbraw/zinc/92/03/69/572920369.db2.gz ALILFZDDVLPIPK-JTQLQIEISA-N 0 0 168.280 2.916 10 30 AFEERN CCC[C@@H](C#N)[C@H](O)c1ccsc1 86326889 572920370 /nfs/dbraw/zinc/92/03/70/572920370.db2.gz OGVPZJXQUIEEQN-WPRPVWTQSA-N 0 0 195.287 2.721 10 30 AFEERN CO[C@H]1CCCC(=NOC(C)(C)C)C1 1116873622 757622990 /nfs/dbraw/zinc/62/29/90/757622990.db2.gz CTMZBWXTJLYVCJ-JTQLQIEISA-N 0 0 199.294 2.747 10 30 AFEERN C=C(Cl)C[NH2+][C@@H]1CC[C@H](C2CC2)C1 308194636 572923736 /nfs/dbraw/zinc/92/37/36/572923736.db2.gz RDFDGGQAOJBPQO-WDEREUQCSA-N 0 0 199.725 2.907 10 30 AFEERN C=CCCCCC(=O)NC(C)(C)C 238095182 572927723 /nfs/dbraw/zinc/92/77/23/572927723.db2.gz ZDZYDVSCVWCSIM-UHFFFAOYSA-N 0 0 183.295 2.648 10 30 AFEERN CO[C@](C)(C=NOC(C)(C)C)C1CC1 1117741696 757632782 /nfs/dbraw/zinc/63/27/82/757632782.db2.gz DCMMCANLBAYSES-LLVKDONJSA-N 0 0 199.294 2.602 10 30 AFEERN C=C(C)C(C/C=C/CO)=C(C)C 238115661 572937089 /nfs/dbraw/zinc/93/70/89/572937089.db2.gz CPEHFTNAXKJSKZ-AATRIKPKSA-N 0 0 166.264 2.838 10 30 AFEERN C=C(C)[C@@H](O)CCCc1ccc(C)o1 238116151 572937121 /nfs/dbraw/zinc/93/71/21/572937121.db2.gz RYIBJTSFMBPTFV-LBPRGKRZSA-N 0 0 194.274 2.848 10 30 AFEERN CC(=O)/C=C1/C[C@@H]2C[C@H]1CC2(C)C 238114107 572937153 /nfs/dbraw/zinc/93/71/53/572937153.db2.gz MWKVJPQJJVRMFX-RJAQEEFZSA-N 0 0 178.275 2.958 10 30 AFEERN C=C/C=C/CCC[C@H](O)C(=C)C 238115806 572937158 /nfs/dbraw/zinc/93/71/58/572937158.db2.gz MOHYCKKDEMNGIE-QRGHLMKCSA-N 0 0 166.264 2.836 10 30 AFEERN C=CC(=C)CCC(CO)=C(C)C 238115114 572937160 /nfs/dbraw/zinc/93/71/60/572937160.db2.gz FLEBXZOCJIEGLK-UHFFFAOYSA-N 0 0 166.264 2.838 10 30 AFEERN Cc1cccc2c1C[C@@H](C#N)CC2 57935709 572937166 /nfs/dbraw/zinc/93/71/66/572937166.db2.gz CRQLTZSCWJFBDW-JTQLQIEISA-N 0 0 171.243 2.624 10 30 AFEERN CC(=O)/C=C/CC1CCC(C=O)CC1 238114447 572937180 /nfs/dbraw/zinc/93/71/80/572937180.db2.gz BULMYPFKPFGNKF-NSCUHMNNSA-N 0 0 194.274 2.527 10 30 AFEERN CO[C@@](C)(C=NOC(C)(C)C)C1CC1 1117741697 757636874 /nfs/dbraw/zinc/63/68/74/757636874.db2.gz DCMMCANLBAYSES-NSHDSACASA-N 0 0 199.294 2.602 10 30 AFEERN C=CC(C=C)[C@@H](O)/C=C/C(C)(C)C 238113608 572938509 /nfs/dbraw/zinc/93/85/09/572938509.db2.gz VCILVSCLGKFLBJ-FBOQAHMBSA-N 0 0 180.291 2.938 10 30 AFEERN C=CCC[C@H](O)c1c(F)cccc1F 86477467 572943754 /nfs/dbraw/zinc/94/37/54/572943754.db2.gz ZXVQLARXMPCSMQ-JTQLQIEISA-N 0 0 198.212 2.964 10 30 AFEERN CCCCCCC[C@H](O)[C@H](F)C#N 308208702 572946020 /nfs/dbraw/zinc/94/60/20/572946020.db2.gz VJZNFMNBGQQZMY-ZJUUUORDSA-N 0 0 187.258 2.569 10 30 AFEERN C=C(C)[C@H](O)/C=C/CCc1ccco1 238142257 572946954 /nfs/dbraw/zinc/94/69/54/572946954.db2.gz IAPXQTZAPJNDPR-WNPFHQFXSA-N 0 0 192.258 2.705 10 30 AFEERN C=CCC[C@H](O)C(C1CC1)C1CC1 308213003 572948626 /nfs/dbraw/zinc/94/86/26/572948626.db2.gz MBSAAYWNAFCCFJ-NSHDSACASA-N 0 0 180.291 2.750 10 30 AFEERN CS[C@H]1CCC1=NOC(C)(C)C 1118097261 757654495 /nfs/dbraw/zinc/65/44/95/757654495.db2.gz XBYJDONLAPFIPL-QMMMGPOBSA-N 0 0 187.308 2.683 10 30 AFEERN CS[C@@H]1CCC1=NOC(C)(C)C 1118097258 757659833 /nfs/dbraw/zinc/65/98/33/757659833.db2.gz XBYJDONLAPFIPL-MRVPVSSYSA-N 0 0 187.308 2.683 10 30 AFEERN C=CC(C)(C=C)[C@@H](O)C(C)(C)C 238178611 572969746 /nfs/dbraw/zinc/96/97/46/572969746.db2.gz KVVMPAUUWMQSGC-VIFPVBQESA-N 0 0 168.280 2.772 10 30 AFEERN CC(C)(C)c1ccc(/C=N/O)s1 59522836 572974800 /nfs/dbraw/zinc/97/48/00/572974800.db2.gz SSGWOXPBYRWTFP-UXBLZVDNSA-N 0 0 183.276 2.854 10 30 AFEERN CCCC/C=C/[C@@H]1[C@@H](C=O)C1(F)F 238193195 572979283 /nfs/dbraw/zinc/97/92/83/572979283.db2.gz NGQMOGYTMDIODP-JKKBLNIGSA-N 0 0 188.217 2.813 10 30 AFEERN CCCC/C=C/[C@@H]1[C@H](C=O)C1(F)F 238193252 572979652 /nfs/dbraw/zinc/97/96/52/572979652.db2.gz NGQMOGYTMDIODP-RKWMXMRGSA-N 0 0 188.217 2.813 10 30 AFEERN C#C/C=C(\CO)CCCCCC 238194470 572979668 /nfs/dbraw/zinc/97/96/68/572979668.db2.gz KTTNZNKHCYOJKR-FLIBITNWSA-N 0 0 166.264 2.509 10 30 AFEERN C=C[C@@H](C)C[C@@H](O)C(CC)CC 238192475 572979686 /nfs/dbraw/zinc/97/96/86/572979686.db2.gz MPWQRSNWJVUALI-MWLCHTKSSA-N 0 0 170.296 2.996 10 30 AFEERN CC(C)C[C@H](C)OCC(C)(C)C#N 405190260 572979699 /nfs/dbraw/zinc/97/96/99/572979699.db2.gz PSETYTJZAKINLQ-JTQLQIEISA-N 0 0 183.295 2.987 10 30 AFEERN CC=C=CC1(C=O)CCCCC1 238241293 572996024 /nfs/dbraw/zinc/99/60/24/572996024.db2.gz DVOIYXYIVDSJEN-UHFFFAOYSA-N 0 0 164.248 2.867 10 30 AFEERN C=CC[C@H](CC)OC(=O)C1CCC1 308218405 572996026 /nfs/dbraw/zinc/99/60/26/572996026.db2.gz KDFXNFBXAOXYQH-JTQLQIEISA-N 0 0 182.263 2.684 10 30 AFEERN Cc1ccc(CCCC#N)cc1F 104530588 572996034 /nfs/dbraw/zinc/99/60/34/572996034.db2.gz ZWSPABAHMCJRIK-UHFFFAOYSA-N 0 0 177.222 2.980 10 30 AFEERN CC1(C)C[C@H]2CC(=O)C=C[C@@H]2C1 238241003 572996061 /nfs/dbraw/zinc/99/60/61/572996061.db2.gz IAPHERGDAUTQJD-RKDXNWHRSA-N 0 0 164.248 2.568 10 30 AFEERN N#CCCCc1cc(F)c(F)cc1F 104530604 572996117 /nfs/dbraw/zinc/99/61/17/572996117.db2.gz OEJOGHILFDUCOJ-UHFFFAOYSA-N 0 0 199.175 2.950 10 30 AFEERN C=CC[C@](O)(CC)Cc1ccccc1 131832080 572996130 /nfs/dbraw/zinc/99/61/30/572996130.db2.gz CXIBONNQPSTKBN-CYBMUJFWSA-N 0 0 190.286 2.946 10 30 AFEERN CC(C)=CCCOC(=O)CCCC#N 1118401028 757679726 /nfs/dbraw/zinc/67/97/26/757679726.db2.gz HWLNMMCFENQWMV-UHFFFAOYSA-N 0 0 195.262 2.580 10 30 AFEERN CC(C)(C)ON=C[C@H]1C[C@@H]2C[C@@H]2C1 1118525386 757681950 /nfs/dbraw/zinc/68/19/50/757681950.db2.gz LYYNEPQIKHBDSH-ILWJIGKKSA-N 0 0 181.279 2.833 10 30 AFEERN C=CCc1cccc2c1N(CC)CC2 238244253 573001422 /nfs/dbraw/zinc/00/14/22/573001422.db2.gz CUUAJCSCSMYDPH-UHFFFAOYSA-N 0 0 187.286 2.798 10 30 AFEERN C#CC1=C(C)Cc2ccc(C)cc21 238244619 573002741 /nfs/dbraw/zinc/00/27/41/573002741.db2.gz CUSOCNOGUHPVBE-UHFFFAOYSA-N 0 0 168.239 2.958 10 30 AFEERN C=CCCC(=NN(C)CC)C1CC1 308474720 573011418 /nfs/dbraw/zinc/01/14/18/573011418.db2.gz LOHOYJQWWADCKC-UHFFFAOYSA-N 0 0 180.295 2.670 10 30 AFEERN CCC(C)(C)C[C@@H](C)C=O 224382986 573017349 /nfs/dbraw/zinc/01/73/49/573017349.db2.gz CIVWGIYPLKLJHC-MRVPVSSYSA-N 0 0 142.242 2.648 10 30 AFEERN CC1=CC(=O)C(C)(C)[C@@H]2CCC[C@H]12 238253586 573017742 /nfs/dbraw/zinc/01/77/42/573017742.db2.gz SIJQKGPETDTTNK-NXEZZACHSA-N 0 0 178.275 2.958 10 30 AFEERN CCCCC[C@H]1C[C@H]1CC#CCO 308226626 573020806 /nfs/dbraw/zinc/02/08/06/573020806.db2.gz RADNHTYENFBJSL-NWDGAFQWSA-N 0 0 180.291 2.589 10 30 AFEERN C=C(C)CN(C)[C@H](C)c1nccs1 308225418 573023184 /nfs/dbraw/zinc/02/31/84/573023184.db2.gz DNVUSJJVJINGJC-SECBINFHSA-N 0 0 196.319 2.712 10 30 AFEERN CC1=CC(=O)[C@@H]2CCCC[C@]12C 238255260 573026105 /nfs/dbraw/zinc/02/61/05/573026105.db2.gz KHRKMWQJWDELHQ-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H](C)[C@@H](C)C(=O)OCCCC 308228640 573026152 /nfs/dbraw/zinc/02/61/52/573026152.db2.gz NXECLVFPVVMTDT-NXEZZACHSA-N 0 0 184.279 2.788 10 30 AFEERN C=CC[C@]12CCC[C@H]1C(=O)C=C2C 238255354 573026207 /nfs/dbraw/zinc/02/62/07/573026207.db2.gz UCQZFJBJFCCLHX-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN CCOC1=CC(=O)C[C@H]2CCCC[C@@H]12 238256656 573028054 /nfs/dbraw/zinc/02/80/54/573028054.db2.gz XJUXULMTUIFNQX-MWLCHTKSSA-N 0 0 194.274 2.686 10 30 AFEERN Cn1c(CS)cc2ccc(F)cc21 257931607 573031602 /nfs/dbraw/zinc/03/16/02/573031602.db2.gz FFDBFXZIJQWQKU-UHFFFAOYSA-N 0 0 195.262 2.747 10 30 AFEERN C=CC[C@]1(C)C=CC(=O)C(C)=C1 238256320 573031632 /nfs/dbraw/zinc/03/16/32/573031632.db2.gz DEPJFYUQQFAXCP-LLVKDONJSA-N 0 0 162.232 2.654 10 30 AFEERN CO[C@@H](CC=O)CC1CCCCC1 257930771 573032383 /nfs/dbraw/zinc/03/23/83/573032383.db2.gz SVWIJFDYLZPGGU-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN C=CCCCCNc1ncc(C)o1 1119354236 757752527 /nfs/dbraw/zinc/75/25/27/757752527.db2.gz CWGMRFVAZJGVPW-UHFFFAOYSA-N 0 0 180.251 2.751 10 30 AFEERN C=C/C=C\CCOC(=O)CCC=C 1119396773 757755778 /nfs/dbraw/zinc/75/57/78/757755778.db2.gz CAOBLICKTPVCDH-ALCCZGGFSA-N 0 0 180.247 2.628 10 30 AFEERN C=C/C=C/CCOC(=O)CCC=C 1119396774 757758899 /nfs/dbraw/zinc/75/88/99/757758899.db2.gz CAOBLICKTPVCDH-FNORWQNLSA-N 0 0 180.247 2.628 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H]1[C@H]2CCC[C@H]21 1119348294 757760045 /nfs/dbraw/zinc/76/00/45/757760045.db2.gz SEMMDBVMFFQWGC-ZNSHCXBVSA-N 0 0 194.274 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1[C@H]2CCC[C@H]21 1119348293 757762237 /nfs/dbraw/zinc/76/22/37/757762237.db2.gz SEMMDBVMFFQWGC-UKKRHICBSA-N 0 0 194.274 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)C(C)=C(C)C 1119342599 757764558 /nfs/dbraw/zinc/76/45/58/757764558.db2.gz SYYWETXZQSVIIH-VIFPVBQESA-N 0 0 182.263 2.851 10 30 AFEERN COc1ccc(Cl)c([C@@H](C)C=O)c1 113920890 573042041 /nfs/dbraw/zinc/04/20/41/573042041.db2.gz PGIFPQALRHQWRO-ZETCQYMHSA-N 0 0 198.649 2.651 10 30 AFEERN C=CC[C@@H](C)OC(=O)C(C)=C(C)C 1119342594 757764790 /nfs/dbraw/zinc/76/47/90/757764790.db2.gz SYYWETXZQSVIIH-SECBINFHSA-N 0 0 182.263 2.851 10 30 AFEERN C[Si](C)(C)/C=C1/CCC[C@@H]1C=O 224818920 573042094 /nfs/dbraw/zinc/04/20/94/573042094.db2.gz UUPAYJTWLPQOMX-URLRMUCDSA-N 0 0 182.339 2.789 10 30 AFEERN Cc1ccc(C#N)cc1NCCCF 88024834 573042116 /nfs/dbraw/zinc/04/21/16/573042116.db2.gz CDBPZQAJTFJXFA-UHFFFAOYSA-N 0 0 192.237 2.638 10 30 AFEERN C=C[C@H]1CCC(=O)[C@H]1CC#CCC 224806616 573042215 /nfs/dbraw/zinc/04/22/15/573042215.db2.gz MXYPPLCHPPJEQG-QWRGUYRKSA-N 0 0 176.259 2.571 10 30 AFEERN C=C1CC[C@H]2CCCC[C@]12CO 224816763 573042292 /nfs/dbraw/zinc/04/22/92/573042292.db2.gz CZQIXMOUMRTSJT-MNOVXSKESA-N 0 0 166.264 2.505 10 30 AFEERN N#CCCC1=CCCCC1 141829829 573042317 /nfs/dbraw/zinc/04/23/17/573042317.db2.gz RFYDDDNEAMFDGU-UHFFFAOYSA-N 0 0 135.210 2.791 10 30 AFEERN C[C@@]1(CSC2CCCCC2)CO1 85502112 573049876 /nfs/dbraw/zinc/04/98/76/573049876.db2.gz LNHQVXTWYOFPAG-JTQLQIEISA-N 0 0 186.320 2.841 10 30 AFEERN Cc1cc(Cl)cc(C#N)c1C 257935204 573049924 /nfs/dbraw/zinc/04/99/24/573049924.db2.gz CCRZHOVLBFLNJD-UHFFFAOYSA-N 0 0 165.623 2.829 10 30 AFEERN Cc1cccc(SC[C@]2(C)CO2)c1 85502121 573049998 /nfs/dbraw/zinc/04/99/98/573049998.db2.gz JDWVHPSDKOXJQA-NSHDSACASA-N 0 0 194.299 2.876 10 30 AFEERN CCC[C@H](C)[C@@H]1C=CC(=O)[C@@H]1C 238258532 573050103 /nfs/dbraw/zinc/05/01/03/573050103.db2.gz VARRDUIDPXDDFB-AEJSXWLSSA-N 0 0 166.264 2.814 10 30 AFEERN CC1([C@H](O)C2(C#N)CCCC2)CCC1 686130638 573052928 /nfs/dbraw/zinc/05/29/28/573052928.db2.gz GZLNWXUAMOOUMG-JTQLQIEISA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H](C#Cc1ccccc1)CC=O 238259815 573054950 /nfs/dbraw/zinc/05/49/50/573054950.db2.gz PPHIHOQCNPVWMH-GFCCVEGCSA-N 0 0 186.254 2.653 10 30 AFEERN CCC[C@H](O)C#C/C=C(/C)CC 238259952 573054976 /nfs/dbraw/zinc/05/49/76/573054976.db2.gz KPEYBLRXADBRJU-IEHMKBBKSA-N 0 0 166.264 2.507 10 30 AFEERN C#CC[C@H](C)[C@H](O)/C=C/[C@@H](C)CCC 308487149 573061332 /nfs/dbraw/zinc/06/13/32/573061332.db2.gz MVZYLGSSLGRPLP-WCHOEQSYSA-N 0 0 194.318 2.999 10 30 AFEERN CC(C)=N[C@@H](CCO)c1ccccc1 308487928 573061390 /nfs/dbraw/zinc/06/13/90/573061390.db2.gz NQLCWRILSIBSPN-LBPRGKRZSA-N 0 0 191.274 2.591 10 30 AFEERN C=C1[C@@H](CC(C)=O)[C@]1(C)CC 238274788 573061460 /nfs/dbraw/zinc/06/14/60/573061460.db2.gz YZAPXZCVPJLOAI-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@](F)(C=O)c1cccc(Cl)c1 257938716 573061501 /nfs/dbraw/zinc/06/15/01/573061501.db2.gz URUVZISLJJTAFU-SECBINFHSA-N 0 0 186.613 2.724 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@]12CCC[C@@H]1C2 1119622867 757801765 /nfs/dbraw/zinc/80/17/65/757801765.db2.gz XUCQGCVYORXHMX-HOSYDEDBSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@H](CC)OC(=O)/C(C)=C\C 308243740 573061616 /nfs/dbraw/zinc/06/16/16/573061616.db2.gz UBBIPZYQYCKKQD-MBACFSSFSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@]12CCC[C@@H]1C2 1119622866 757799520 /nfs/dbraw/zinc/79/95/20/757799520.db2.gz XUCQGCVYORXHMX-CKYFFXLPSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC(C)(C)NC(=O)C[C@H](C)CC 1119921988 757804002 /nfs/dbraw/zinc/80/40/02/757804002.db2.gz GVFMLRWCYRYISH-SECBINFHSA-N 0 0 183.295 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)C[C@@H](C)CC 1119921989 757804356 /nfs/dbraw/zinc/80/43/56/757804356.db2.gz GVFMLRWCYRYISH-VIFPVBQESA-N 0 0 183.295 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)C1CCCCC1 1119925022 757804516 /nfs/dbraw/zinc/80/45/16/757804516.db2.gz CDVCEBSUUJZJDL-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C[C@@H](C=O)Cc1ccc2ncccc2c1 88107265 573070620 /nfs/dbraw/zinc/07/06/20/573070620.db2.gz YFSJEHZBISHFKS-SNVBAGLBSA-N 0 0 199.253 2.612 10 30 AFEERN O=CC1(c2ccc(F)c(F)c2)CCC1 114256803 573070662 /nfs/dbraw/zinc/07/06/62/573070662.db2.gz NMTPREQHEQKAJE-UHFFFAOYSA-N 0 0 196.196 2.585 10 30 AFEERN C=CC(=O)Nc1cccc(C(=C)C)c1 1120462983 757808877 /nfs/dbraw/zinc/80/88/77/757808877.db2.gz SUYLIGSEAPIOTF-UHFFFAOYSA-N 0 0 187.242 2.844 10 30 AFEERN Cc1ccc2cc(CCC=O)ccc2n1 88107251 573070721 /nfs/dbraw/zinc/07/07/21/573070721.db2.gz VHYPGWMWZXWHQL-UHFFFAOYSA-N 0 0 199.253 2.675 10 30 AFEERN C=C(C)CCC(=O)N(C)[C@@H](C)C(C)C 1120557101 757811244 /nfs/dbraw/zinc/81/12/44/757811244.db2.gz FICPSOHELBQXPR-NSHDSACASA-N 0 0 197.322 2.846 10 30 AFEERN C=C(C)CCC(=O)N(CC)CCCC 1120573293 757811356 /nfs/dbraw/zinc/81/13/56/757811356.db2.gz BWMPZQBHTBNJQB-UHFFFAOYSA-N 0 0 197.322 2.991 10 30 AFEERN C=C(C)CCC(=O)N(C)CCC(C)C 1120573081 757812187 /nfs/dbraw/zinc/81/21/87/757812187.db2.gz GWMAEWBWUGACBW-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)CCC(=O)N(C)[C@H](C)C(C)C 1120557100 757812532 /nfs/dbraw/zinc/81/25/32/757812532.db2.gz FICPSOHELBQXPR-LLVKDONJSA-N 0 0 197.322 2.846 10 30 AFEERN Cc1ccc2c(c1)C1(CC1)[C@H](C#N)C2 259600321 573070838 /nfs/dbraw/zinc/07/08/38/573070838.db2.gz FFTFWHBCJFCDTJ-NSHDSACASA-N 0 0 183.254 2.723 10 30 AFEERN C=C(C)CCC(=O)N1C[C@@H](C)C[C@H]1C 1120609884 757813142 /nfs/dbraw/zinc/81/31/42/757813142.db2.gz AAFNQXMBIZSKJM-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)CCC(=O)N1C[C@@H](C)C[C@@H]1C 1120609883 757813490 /nfs/dbraw/zinc/81/34/90/757813490.db2.gz AAFNQXMBIZSKJM-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)CCC(=O)N1CC=C(C)CC1 1120625659 757813826 /nfs/dbraw/zinc/81/38/26/757813826.db2.gz FADQPJMUYYHLRJ-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=C(C)CCC(=O)N1C[C@H](C)C[C@@H]1C 1120609882 757814349 /nfs/dbraw/zinc/81/43/49/757814349.db2.gz AAFNQXMBIZSKJM-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)CCC(=O)N(OC)[C@H](C)CC 1120617014 757814813 /nfs/dbraw/zinc/81/48/13/757814813.db2.gz GBSOVNQFWBHQSK-SNVBAGLBSA-N 0 0 199.294 2.531 10 30 AFEERN C=C(C)CCC(=O)N1C[C@H](C)C[C@H]1C 1120609881 757814956 /nfs/dbraw/zinc/81/49/56/757814956.db2.gz AAFNQXMBIZSKJM-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)CCC(=O)N(OC)[C@@H](C)CC 1120617013 757815311 /nfs/dbraw/zinc/81/53/11/757815311.db2.gz GBSOVNQFWBHQSK-JTQLQIEISA-N 0 0 199.294 2.531 10 30 AFEERN C=C(C)CN(C)c1cc(F)cc(C)n1 1120914788 757821567 /nfs/dbraw/zinc/82/15/67/757821567.db2.gz VIUUGLOHIHLGNA-UHFFFAOYSA-N 0 0 194.253 2.541 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H](C)C1CC1 308247230 573073961 /nfs/dbraw/zinc/07/39/61/573073961.db2.gz XGLSBSAMJYENFL-WCBMZHEXSA-N 0 0 182.263 2.540 10 30 AFEERN CC[C@H](C#N)Cc1ccc2[nH]cnc2c1 259322824 573076674 /nfs/dbraw/zinc/07/66/74/573076674.db2.gz KXDVHTHLVHPFFD-VIFPVBQESA-N 0 0 199.257 2.655 10 30 AFEERN CC[C@@H](C#N)Cc1ccc2[nH]cnc2c1 259322821 573076695 /nfs/dbraw/zinc/07/66/95/573076695.db2.gz KXDVHTHLVHPFFD-SECBINFHSA-N 0 0 199.257 2.655 10 30 AFEERN C=CC(=O)c1ccc(F)cc1C 88123947 573076797 /nfs/dbraw/zinc/07/67/97/573076797.db2.gz BCNGPBHFNZIVPZ-UHFFFAOYSA-N 0 0 164.179 2.503 10 30 AFEERN C=CCCCC(=O)N[C@H](C)C1(C)CC1 1121244891 757826995 /nfs/dbraw/zinc/82/69/95/757826995.db2.gz HXKMLGFHEFVKPX-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCCC(=O)N[C@@H](C)C1(C)CC1 1121244890 757829126 /nfs/dbraw/zinc/82/91/26/757829126.db2.gz HXKMLGFHEFVKPX-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)CCC(=O)O[C@H](C)C(C)C 1122719519 757842127 /nfs/dbraw/zinc/84/21/27/757842127.db2.gz FSGZFGZBIKMCLJ-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)CCC(=O)O[C@@H](C)C(C)C 1122719518 757843485 /nfs/dbraw/zinc/84/34/85/757843485.db2.gz FSGZFGZBIKMCLJ-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)CCC(=O)OC/C(C)=C/C 1123129456 757844795 /nfs/dbraw/zinc/84/47/95/757844795.db2.gz GJEXJULLCJNHJL-BJMVGYQFSA-N 0 0 182.263 2.852 10 30 AFEERN C=C(C)CCC(=O)OCC1(C)CC1 1122899054 757845521 /nfs/dbraw/zinc/84/55/21/757845521.db2.gz FHYWLLKVFJSMCI-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)CCC(=O)OC/C(C)=C\C 1123129457 757846288 /nfs/dbraw/zinc/84/62/88/757846288.db2.gz GJEXJULLCJNHJL-YHYXMXQVSA-N 0 0 182.263 2.852 10 30 AFEERN C=C(CC(C)C)C(=O)NC1CC(C)C1 1123634512 757850405 /nfs/dbraw/zinc/85/04/05/757850405.db2.gz JWZUVFUFJYOBKT-UHFFFAOYSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(CC)C(=O)NCC1CCCCC1 1123477521 757851199 /nfs/dbraw/zinc/85/11/99/757851199.db2.gz VJJNCGSTHXIDJR-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=C(CC(C)C)C(=O)N(CC)C(C)C 1123599963 757852133 /nfs/dbraw/zinc/85/21/33/757852133.db2.gz BUVXCTLQVULUJJ-UHFFFAOYSA-N 0 0 197.322 2.846 10 30 AFEERN C=C(CC(C)C)C(=O)N(CC)C1CC1 1123538436 757852205 /nfs/dbraw/zinc/85/22/05/757852205.db2.gz IGWPQOSXDNVBGQ-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)CCNC(=O)C(=C)CC(C)C 1123801231 757853478 /nfs/dbraw/zinc/85/34/78/757853478.db2.gz KGCMNZFCISUDFL-UHFFFAOYSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(CC(C)C)C(=O)NC/C=C\CC 1123896801 757855733 /nfs/dbraw/zinc/85/57/33/757855733.db2.gz QRXHFNLADKGHMY-SREVYHEPSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(CC)C(=O)NC1CCC=CCC1 1123933167 757856180 /nfs/dbraw/zinc/85/61/80/757856180.db2.gz HLYJKDDCGBGOQD-UHFFFAOYSA-N 0 0 193.290 2.568 10 30 AFEERN C=C(CC(C)C)C(=O)NC/C=C/CC 1123896802 757856362 /nfs/dbraw/zinc/85/63/62/757856362.db2.gz QRXHFNLADKGHMY-VOTSOKGWSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(CC)C(=O)N[C@@](C)(CC)C1CC1 1123928514 757856365 /nfs/dbraw/zinc/85/63/65/757856365.db2.gz QOSLWEGYRDWRGU-LBPRGKRZSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(CC)C(=O)N[C@](C)(CC)C1CC1 1123928513 757856717 /nfs/dbraw/zinc/85/67/17/757856717.db2.gz QOSLWEGYRDWRGU-GFCCVEGCSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@H]1CC1(C)C 1123902279 757857663 /nfs/dbraw/zinc/85/76/63/757857663.db2.gz NSYSXTRHBAMMFZ-JTQLQIEISA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)CCNC(=O)C(=C)CC 1123930898 757857673 /nfs/dbraw/zinc/85/76/73/757857673.db2.gz KIGDUXJHJLUKJJ-UHFFFAOYSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(CC)C(=O)NCCC(C)(C)CC 1123844096 757857694 /nfs/dbraw/zinc/85/76/94/757857694.db2.gz ALMOSNXOVUCFFB-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=C(CC)C(=O)N[C@H](C)C1CCCC1 1123805928 757857885 /nfs/dbraw/zinc/85/78/85/757857885.db2.gz WWUNHDXHJPKOHK-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)CN(C)C(=O)C(=C)CC(C)C 1123823992 757857955 /nfs/dbraw/zinc/85/79/55/757857955.db2.gz BDYFBOFJTWHXHM-UHFFFAOYSA-N 0 0 195.306 2.623 10 30 AFEERN C=C[C@]1(CC)C[C@]1(C=O)CC 238275061 573093901 /nfs/dbraw/zinc/09/39/01/573093901.db2.gz WNSGMHJXQMYXQL-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cccc([C@@H](C)N[C@@H](C)C#N)c1 88162254 573093921 /nfs/dbraw/zinc/09/39/21/573093921.db2.gz YWHJFRSMMRQPNS-WDEREUQCSA-N 0 0 188.274 2.558 10 30 AFEERN CCCS[C@]1(C#N)CC[C@H]1C 85630017 573094003 /nfs/dbraw/zinc/09/40/03/573094003.db2.gz YXPZCJQCPFQXMU-BDAKNGLRSA-N 0 0 169.293 2.822 10 30 AFEERN C=C(CC)C(=O)NC1(CCCC)CC1 1124070319 757861401 /nfs/dbraw/zinc/86/14/01/757861401.db2.gz VQXQLDLKSXENEG-UHFFFAOYSA-N 0 0 195.306 2.792 10 30 AFEERN C=CCCC(=O)N1CC[C@@H](CC)[C@@H]1C 1128176610 757865135 /nfs/dbraw/zinc/86/51/35/757865135.db2.gz TWEVCMRLIMBJFB-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CC[C@H](CC)[C@@H]1C 1128176609 757865217 /nfs/dbraw/zinc/86/52/17/757865217.db2.gz TWEVCMRLIMBJFB-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN N#Cc1cc(Cl)c2ccoc2c1 114663453 573105734 /nfs/dbraw/zinc/10/57/34/573105734.db2.gz VRXOBMHCQYMGGP-UHFFFAOYSA-N 0 0 177.590 2.958 10 30 AFEERN C=C/C=C/CC(=O)N(CC=C)C(C)C 1136682640 757872544 /nfs/dbraw/zinc/87/25/44/757872544.db2.gz DDCDERPNYSTIKH-BQYQJAHWSA-N 0 0 193.290 2.542 10 30 AFEERN C=C/C=C\CC(=O)N(CC=C)C(C)C 1136682641 757873651 /nfs/dbraw/zinc/87/36/51/757873651.db2.gz DDCDERPNYSTIKH-FPLPWBNLSA-N 0 0 193.290 2.542 10 30 AFEERN CC/C(=N/O)c1cc2ccccc2[nH]1 238279428 573105859 /nfs/dbraw/zinc/10/58/59/573105859.db2.gz SGRUSHXIERDOCF-LCYFTJDESA-N 0 0 188.230 2.756 10 30 AFEERN Cc1cccc(-c2cc(C)c(C#N)[nH]2)n1 259600648 573106072 /nfs/dbraw/zinc/10/60/72/573106072.db2.gz GCBKOVPHRNAXHN-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN Cc1c(C#N)cc(C2CCCC2)n1C 259329298 573112385 /nfs/dbraw/zinc/11/23/85/573112385.db2.gz UPVCCTLWBAGGKV-UHFFFAOYSA-N 0 0 188.274 2.863 10 30 AFEERN C/C=C\COC[C@@H](CC)CS 211651145 573112427 /nfs/dbraw/zinc/11/24/27/573112427.db2.gz PIHKCDXKEMSRIC-AZVKUDOFSA-N 0 0 174.309 2.535 10 30 AFEERN CCC1=C[C@H](CC)[C@H](C)CC1=O 238285507 573112627 /nfs/dbraw/zinc/11/26/27/573112627.db2.gz GMPHNSDWHLAQBT-BDAKNGLRSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCCOC(=O)/C=C\C(C)C 308261893 573113665 /nfs/dbraw/zinc/11/36/65/573113665.db2.gz NRHLETRAMMHSJP-FPLPWBNLSA-N 0 0 182.263 2.708 10 30 AFEERN C=C[C@](C)(CC)[C@@H]1[NH2+]C[C@@H](C)S1 238287302 573117730 /nfs/dbraw/zinc/11/77/30/573117730.db2.gz IHYNLAIKDXDFIX-OPRDCNLKSA-N 0 0 185.336 2.640 10 30 AFEERN CC(C)=CC[C@@H](O)C#C[Si](C)(C)C 197992693 573120560 /nfs/dbraw/zinc/12/05/60/573120560.db2.gz FMOLUCIQRXDVAH-LLVKDONJSA-N 0 0 196.366 2.584 10 30 AFEERN C#CCCCSCCCOCC=C 308267993 573120561 /nfs/dbraw/zinc/12/05/61/573120561.db2.gz QLHMKKGMMDNHAB-UHFFFAOYSA-N 0 0 198.331 2.726 10 30 AFEERN C=CCC[C@@H](C)Nc1c(C)n[nH]c1C 131945573 573121776 /nfs/dbraw/zinc/12/17/76/573121776.db2.gz MQRNCWUMIQRBJP-MRVPVSSYSA-N 0 0 193.294 2.793 10 30 AFEERN C=C1[C@@H](CC)[C@H]1C(=O)C(C)(C)C 238280600 573121820 /nfs/dbraw/zinc/12/18/20/573121820.db2.gz DNKXAOZRPYQQAI-BDAKNGLRSA-N 0 0 166.264 2.814 10 30 AFEERN CCC1([C@@H]2OCCC[C@@H]2C#N)CCC1 686131172 573125489 /nfs/dbraw/zinc/12/54/89/573125489.db2.gz PPMKIJGALSLIHH-GHMZBOCLSA-N 0 0 193.290 2.885 10 30 AFEERN C=C(C)[C@@H](/C=C(/C)CO)CC 238282173 573128415 /nfs/dbraw/zinc/12/84/15/573128415.db2.gz MWKQRLBUDINWBH-ABRRARGCSA-N 0 0 154.253 2.527 10 30 AFEERN Cc1cc(F)cc(C)c1CC#N 114911865 573139417 /nfs/dbraw/zinc/13/94/17/573139417.db2.gz YEPZOAJXKOCZTF-UHFFFAOYSA-N 0 0 163.195 2.509 10 30 AFEERN C[C@](O)(CC=O)C1=CCCCCCC1 235721365 573146689 /nfs/dbraw/zinc/14/66/89/573146689.db2.gz RZFOICZAQOBBPB-LBPRGKRZSA-N 0 0 196.290 2.607 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1N(C)[C@@H](C)C#N 82657766 573146709 /nfs/dbraw/zinc/14/67/09/573146709.db2.gz XEOBGIQHLSGTKM-TUAOUCFPSA-N 0 0 194.322 2.799 10 30 AFEERN C=C[C@@H](CC)[C@@H](O)C(C)(C)C 238290251 573148197 /nfs/dbraw/zinc/14/81/97/573148197.db2.gz LNYFBHAZVLKRMN-DTWKUNHWSA-N 0 0 156.269 2.606 10 30 AFEERN CCC[C@@H](CC#N)C(F)(F)F 258550719 573148353 /nfs/dbraw/zinc/14/83/53/573148353.db2.gz PIHSJMWROCWRBZ-LURJTMIESA-N 0 0 165.158 2.879 10 30 AFEERN C[C@@H](NN=CCC(C)(C)C)C(F)F 308281885 573153808 /nfs/dbraw/zinc/15/38/08/573153808.db2.gz XIUHYBMWETYLEN-SSDOTTSWSA-N 0 0 192.253 2.652 10 30 AFEERN C=C[C@H](C)[N@H+](C)Cc1occc1C 308288989 573157002 /nfs/dbraw/zinc/15/70/02/573157002.db2.gz CWCSVACMRRWOAS-JTQLQIEISA-N 0 0 179.263 2.594 10 30 AFEERN Cc1c(F)cccc1[C@H](C)CC=O 257954073 573157070 /nfs/dbraw/zinc/15/70/70/573157070.db2.gz GAHBUOPSVHJJMZ-MRVPVSSYSA-N 0 0 180.222 2.827 10 30 AFEERN Cc1c(C#N)cnc2c(C)cccc12 257954707 573160013 /nfs/dbraw/zinc/16/00/13/573160013.db2.gz WTORPCYUFANSPK-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN C=C(C)CC/C=C\CCC=O 215084433 573160025 /nfs/dbraw/zinc/16/00/25/573160025.db2.gz UIGPZXOBKSXVMD-ARJAWSKDSA-N 0 0 152.237 2.878 10 30 AFEERN CC[C@@H](C#Cc1ccccc1)CC=O 238297194 573163985 /nfs/dbraw/zinc/16/39/85/573163985.db2.gz PPHIHOQCNPVWMH-LBPRGKRZSA-N 0 0 186.254 2.653 10 30 AFEERN CCC(=NN[C@H](C)C(F)F)C(C)C 308290127 573166348 /nfs/dbraw/zinc/16/63/48/573166348.db2.gz GPLIICJXIBDUMV-SSDOTTSWSA-N 0 0 192.253 2.652 10 30 AFEERN CC[C@]1(C)C=CC(=O)C[C@@H]1C 238303058 573169482 /nfs/dbraw/zinc/16/94/82/573169482.db2.gz YEBGWOFRGKPUHE-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@]1(C)C=C(C)C=C(C)C1=O 238303023 573169508 /nfs/dbraw/zinc/16/95/08/573169508.db2.gz KOIXQFSLFOTATE-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CC[C@]1(C)CC=C(C)C(=O)C1 238303484 573170757 /nfs/dbraw/zinc/17/07/57/573170757.db2.gz CUIYYABOCQELDJ-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@@H]1CCC(C(C)=O)=C1C 238303543 573170791 /nfs/dbraw/zinc/17/07/91/573170791.db2.gz BUKOWURWYKZBLN-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)c1ccc2c(c1)N(C)CCO2 238303714 573170872 /nfs/dbraw/zinc/17/08/72/573170872.db2.gz LIHFYDIMYPWLNZ-UHFFFAOYSA-N 0 0 189.258 2.548 10 30 AFEERN CC(C)[C@@](C)(O)C1(C#N)CCCCC1 85881675 573182873 /nfs/dbraw/zinc/18/28/73/573182873.db2.gz QLXIPJBJRNPGPU-LLVKDONJSA-N 0 0 195.306 2.867 10 30 AFEERN N#CC1(C2(O)CCCC2)CCCCC1 85880444 573182889 /nfs/dbraw/zinc/18/28/89/573182889.db2.gz BZRJNCJQPXNBBQ-UHFFFAOYSA-N 0 0 193.290 2.766 10 30 AFEERN Cc1cnc2sc(C#N)cc2c1C 259358279 573182920 /nfs/dbraw/zinc/18/29/20/573182920.db2.gz MZVBRRKTFJGSRR-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN Cc1ccc(Cl)cc1[C@H](N)CC#N 104684536 573182959 /nfs/dbraw/zinc/18/29/59/573182959.db2.gz PHQLHJNFSHKLPX-SNVBAGLBSA-N 0 0 194.665 2.562 10 30 AFEERN CC#CCCNc1ccc(C#N)c(C)c1 125833929 573182976 /nfs/dbraw/zinc/18/29/76/573182976.db2.gz COKSEPILWOUZLJ-UHFFFAOYSA-N 0 0 198.269 2.692 10 30 AFEERN CC[C@](C)(C#N)[C@@]1(O)CCC[C@H](C)C1 85879895 573183000 /nfs/dbraw/zinc/18/30/00/573183000.db2.gz AGQBOJKAYWIMOX-QJPTWQEYSA-N 0 0 195.306 2.867 10 30 AFEERN CCON=C(CC)c1ccc(C)o1 308299533 573186577 /nfs/dbraw/zinc/18/65/77/573186577.db2.gz JNTHRLWJMKLLNW-UHFFFAOYSA-N 0 0 181.235 2.739 10 30 AFEERN C[C@@H]1CCCC[C@@]1(O)C1(C#N)CCC1 85880304 573186611 /nfs/dbraw/zinc/18/66/11/573186611.db2.gz YBYKSQZRXIDTFN-PWSUYJOCSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H](C)[C@@H]1CC=CC(=O)C1 238299826 573186654 /nfs/dbraw/zinc/18/66/54/573186654.db2.gz AOCBHSOBPRQXMC-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN CCC(O)(CC)[C@@]1(C#N)CC[C@H](C)C1 85881555 573186656 /nfs/dbraw/zinc/18/66/56/573186656.db2.gz YFAYYHKFCYAJQE-QWRGUYRKSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@](C)(O)C1(C#N)CCC(C)CC1 85881451 573186675 /nfs/dbraw/zinc/18/66/75/573186675.db2.gz CUUOAYCUYQLTBQ-MOENNCHZSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)([C@](C)(O)CC)C1 85881379 573186743 /nfs/dbraw/zinc/18/67/43/573186743.db2.gz PRDSBXBPQNKMSX-IJLUTSLNSA-N 0 0 195.306 2.867 10 30 AFEERN CC1(C)CCC(C#N)(C(C)(C)O)CC1 85881280 573186751 /nfs/dbraw/zinc/18/67/51/573186751.db2.gz GQKQFTQOIWFZGV-UHFFFAOYSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)[C@@H]1CCC[C@@](O)(CC#N)CC1 85879536 573186817 /nfs/dbraw/zinc/18/68/17/573186817.db2.gz UGTSTIVBAOZIRT-NEPJUHHUSA-N 0 0 195.306 2.867 10 30 AFEERN C=CC[C@]12CCCC[C@H]1CC2=O 142171466 573186849 /nfs/dbraw/zinc/18/68/49/573186849.db2.gz XSGJEIUPCLUDMQ-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@](C)(C#N)C1(O)CCC(C)CC1 85880070 573186860 /nfs/dbraw/zinc/18/68/60/573186860.db2.gz GUMKIJRGEKUWNH-MOENNCHZSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@](C)(O)[C@@]1(C#N)CCC[C@H](C)C1 85881353 573186884 /nfs/dbraw/zinc/18/68/84/573186884.db2.gz MXOKQZXLVSBHDO-SRVKXCTJSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H](CC=O)c1cccc2cc[nH]c12 257962582 573186924 /nfs/dbraw/zinc/18/69/24/573186924.db2.gz BXXJWUZOLMLSLA-SECBINFHSA-N 0 0 187.242 2.860 10 30 AFEERN CC[C@](C)(C#N)[C@@]1(O)CCCC[C@@H]1C 85880228 573186954 /nfs/dbraw/zinc/18/69/54/573186954.db2.gz VIPVLBZWTMTEJJ-QJPTWQEYSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)C1CCC(O)([C@H](C)C#N)CC1 85882695 573186551 /nfs/dbraw/zinc/18/65/51/573186551.db2.gz AXFOBCIVMPZKEK-VOMCLLRMSA-N 0 0 195.306 2.723 10 30 AFEERN [N-]=[N+]=Nc1ccsc1 104682466 573186552 /nfs/dbraw/zinc/18/65/52/573186552.db2.gz AGCIULHTXPOESY-UHFFFAOYSA-N 0 0 125.156 2.690 10 30 AFEERN C[C@@H](C#N)[C@H](O)c1cccc(Cl)c1 85886382 573188988 /nfs/dbraw/zinc/18/89/88/573188988.db2.gz RHYSYCMXVOTUEL-XVKPBYJWSA-N 0 0 195.649 2.533 10 30 AFEERN CC[C@]1(C#N)CCCCCCC1=O 238300510 573189016 /nfs/dbraw/zinc/18/90/16/573189016.db2.gz RCUQNSHLNIKNFH-LLVKDONJSA-N 0 0 179.263 2.830 10 30 AFEERN COCc1ccc(Cl)cc1CC#N 257962612 573189064 /nfs/dbraw/zinc/18/90/64/573189064.db2.gz BYIMOYLSXDUWFO-UHFFFAOYSA-N 0 0 195.649 2.552 10 30 AFEERN C[C@@H](C#N)[C@@H](O)c1cccc(Cl)c1 85886391 573189082 /nfs/dbraw/zinc/18/90/82/573189082.db2.gz RHYSYCMXVOTUEL-OIBJUYFYSA-N 0 0 195.649 2.533 10 30 AFEERN CC[C@@H](C#N)[C@@H](O)c1ccccc1C 85887352 573189093 /nfs/dbraw/zinc/18/90/93/573189093.db2.gz UHLLQFLMMMCVHO-CMPLNLGQSA-N 0 0 189.258 2.578 10 30 AFEERN CC[C@@H](C#N)[C@@H](O)c1sccc1C 85886680 573189215 /nfs/dbraw/zinc/18/92/15/573189215.db2.gz JODJINVASADAIK-DTWKUNHWSA-N 0 0 195.287 2.640 10 30 AFEERN CC[C@@](C)(C#N)[C@H](O)c1ccccc1 85884354 573189226 /nfs/dbraw/zinc/18/92/26/573189226.db2.gz PLEMVMCYAYVEQN-NEPJUHHUSA-N 0 0 189.258 2.660 10 30 AFEERN C=Cc1ccc(C#N)cc1C 165989890 573189307 /nfs/dbraw/zinc/18/93/07/573189307.db2.gz PBTCPNSIPISRFA-UHFFFAOYSA-N 0 0 143.189 2.510 10 30 AFEERN C[C@@H](C#N)[C@H](O)c1ccccc1Cl 85885749 573189374 /nfs/dbraw/zinc/18/93/74/573189374.db2.gz DXUUGHXARYGDMI-XVKPBYJWSA-N 0 0 195.649 2.533 10 30 AFEERN CC[C@@](C)(C#N)[C@H](O)c1ccc(C)o1 85884106 573189424 /nfs/dbraw/zinc/18/94/24/573189424.db2.gz MXYBDYONFPSDMJ-MNOVXSKESA-N 0 0 193.246 2.561 10 30 AFEERN CC[C@@](C)(C#N)[C@@H](O)c1cccs1 85885422 573189470 /nfs/dbraw/zinc/18/94/70/573189470.db2.gz SGGPYLQVBLKWSR-UWVGGRQHSA-N 0 0 195.287 2.721 10 30 AFEERN Cc1cc(CCC=O)c(C)cc1F 257963235 573189491 /nfs/dbraw/zinc/18/94/91/573189491.db2.gz HFAKMNVJTVETCN-UHFFFAOYSA-N 0 0 180.222 2.574 10 30 AFEERN CCC(C)(C)C=NOCC(F)(F)F 308302926 573192610 /nfs/dbraw/zinc/19/26/10/573192610.db2.gz MWLAAFCLQKUVBU-UHFFFAOYSA-N 0 0 197.200 2.987 10 30 AFEERN CC[C@H]1CCCC[C@@]1(O)C(C)(C)C#N 85894044 573192786 /nfs/dbraw/zinc/19/27/86/573192786.db2.gz LBJVBXYVARLWCD-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C=C(CC)COC(=O)C[C@H]1C[C@@H]1C 308301517 573192861 /nfs/dbraw/zinc/19/28/61/573192861.db2.gz MFBZNVWHLIBFBC-VHSXEESVSA-N 0 0 182.263 2.542 10 30 AFEERN Cc1cc([C@@H](O)[C@@H](C)C#N)c(C)s1 85889647 573193050 /nfs/dbraw/zinc/19/30/50/573193050.db2.gz JMBUFGYQUANLJA-WKEGUHRASA-N 0 0 195.287 2.558 10 30 AFEERN Cc1[nH]c2ccccc2c1[C@@H]1O[C@@H]1C 259366194 573194144 /nfs/dbraw/zinc/19/41/44/573194144.db2.gz QLTOZHFWQMJYKX-PRHODGIISA-N 0 0 187.242 2.936 10 30 AFEERN CCSc1ccc(F)c(C#N)c1 238301065 573194225 /nfs/dbraw/zinc/19/42/25/573194225.db2.gz JOAOSRPHYQSPTR-UHFFFAOYSA-N 0 0 181.235 2.809 10 30 AFEERN CCC1CCC(C#N)([C@@H](O)CC)CC1 85891483 573194267 /nfs/dbraw/zinc/19/42/67/573194267.db2.gz KVVQFQFACRKTSB-CXQJBGSLSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H](O)C1(C#N)CCCCCC1 85891504 573194280 /nfs/dbraw/zinc/19/42/80/573194280.db2.gz ZKIKKMVXIFTJNU-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN CC(C)C[C@@H](O)C1(C#N)CCCCC1 85890551 573194318 /nfs/dbraw/zinc/19/43/18/573194318.db2.gz RVUFRYRHKGJUCF-LLVKDONJSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CC[C@](C#N)([C@H](O)C(C)(C)C)C1 85892468 573194325 /nfs/dbraw/zinc/19/43/25/573194325.db2.gz SGYGYHNLURGNRU-FOGDFJRCSA-N 0 0 195.306 2.723 10 30 AFEERN N#CC1([C@H](O)C2CCCC2)CCCC1 85889759 573194334 /nfs/dbraw/zinc/19/43/34/573194334.db2.gz PMDCUCJAHPIMBC-LLVKDONJSA-N 0 0 193.290 2.621 10 30 AFEERN C=C[C@@H](C)c1noc(/C=C\SC)n1 308301886 573194388 /nfs/dbraw/zinc/19/43/88/573194388.db2.gz LDHPKWZJNRFOBO-KXTMECRCSA-N 0 0 196.275 2.693 10 30 AFEERN CC(C)(C)[C@H](O)C1(C#N)CCCCC1 85892493 573194456 /nfs/dbraw/zinc/19/44/56/573194456.db2.gz XTYFJCGOCHTYMI-JTQLQIEISA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCn1ccc(C2(C)CC2)n1 308306405 573198737 /nfs/dbraw/zinc/19/87/37/573198737.db2.gz ORGOOVYPDPHKCY-UHFFFAOYSA-N 0 0 176.263 2.511 10 30 AFEERN CC1CCC(C#N)(C2(O)CCC2)CC1 85898219 573198753 /nfs/dbraw/zinc/19/87/53/573198753.db2.gz CSTMGUGBAJYRQR-UHFFFAOYSA-N 0 0 193.290 2.621 10 30 AFEERN Cc1cc(C)cc(-c2cnoc2C#N)c1 259360963 573198795 /nfs/dbraw/zinc/19/87/95/573198795.db2.gz GSVQJJZGUKWLLI-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN CC[C@@H](C#N)[C@]1(O)CCCC(C)(C)C1 85894301 573198821 /nfs/dbraw/zinc/19/88/21/573198821.db2.gz SFLYUNSYQGWFKK-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H]1CC[C@@](O)(C2(C#N)CCC2)C1 85894613 573198841 /nfs/dbraw/zinc/19/88/41/573198841.db2.gz FMQMESNNTSVCGQ-JQWIXIFHSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)(C2(O)CCC2)C1 85898175 573198912 /nfs/dbraw/zinc/19/89/12/573198912.db2.gz PIJXDLRHEKDMCP-GHMZBOCLSA-N 0 0 193.290 2.621 10 30 AFEERN C=C[C@H](C)OC(=O)CC[C@H](C)CC 308304238 573198972 /nfs/dbraw/zinc/19/89/72/573198972.db2.gz NNNXQXJAPIPXMJ-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](CC)OC(=O)[C@@H](C)CC 308304977 573198994 /nfs/dbraw/zinc/19/89/94/573198994.db2.gz NZSXPIKJBGTZCK-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](C)Sc1nccn1C1CC1 308305341 573199001 /nfs/dbraw/zinc/19/90/01/573199001.db2.gz OBYKNYCXTPSOME-QMMMGPOBSA-N 0 0 194.303 2.885 10 30 AFEERN C[C@H]1C[C@](O)(C(C)(C)C#N)CC[C@H]1C 85894787 573199018 /nfs/dbraw/zinc/19/90/18/573199018.db2.gz KECJRESXXUXOPS-SCVCMEIPSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]1CCC[C@@]1(O)C1(C#N)CCCC1 85895495 573199107 /nfs/dbraw/zinc/19/91/07/573199107.db2.gz AKXFIDQXBKDDQN-PWSUYJOCSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H]1C[C@@](O)(C(C)(C)C#N)CC[C@H]1C 85894780 573199237 /nfs/dbraw/zinc/19/92/37/573199237.db2.gz KECJRESXXUXOPS-JFGNBEQYSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H](C#N)[C@@H](O)C1CCCCCC1 85896403 573199282 /nfs/dbraw/zinc/19/92/82/573199282.db2.gz SPDRZKACWKQOBC-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1CCC[C@](O)([C@@H](C)C#N)CC1 85895912 573199304 /nfs/dbraw/zinc/19/93/04/573199304.db2.gz NJLMXXDQHVDEJN-QJPTWQEYSA-N 0 0 195.306 2.867 10 30 AFEERN CCSc1cccc(C#N)c1OC 238302789 573199309 /nfs/dbraw/zinc/19/93/09/573199309.db2.gz WFEGVABCKFOQRW-UHFFFAOYSA-N 0 0 193.271 2.679 10 30 AFEERN C=C(CC)[C@H]1C[C@H]1C 222882491 573199317 /nfs/dbraw/zinc/19/93/17/573199317.db2.gz CCMMGTDJBKKALB-HTQZYQBOSA-N 0 0 110.200 2.609 10 30 AFEERN CC[C@@H](C#N)[C@@H](O)C1CCC(C)CC1 85896470 573199329 /nfs/dbraw/zinc/19/93/29/573199329.db2.gz VRWJAMGMRBNDER-POSLAHMBSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)=CC(=O)c1cccs1 115560231 573202495 /nfs/dbraw/zinc/20/24/95/573202495.db2.gz SIPQXTVHRCHUQM-UHFFFAOYSA-N 0 0 166.245 2.897 10 30 AFEERN CC1(C)O[C@H]1c1cc(F)ccc1F 259369695 573202534 /nfs/dbraw/zinc/20/25/34/573202534.db2.gz QQVBFQKAHVVNED-VIFPVBQESA-N 0 0 184.185 2.815 10 30 AFEERN C=CCC[C@](C)(C#N)N[C@@H](C)CC 132083637 573205056 /nfs/dbraw/zinc/20/50/56/573205056.db2.gz UVSVYMIKENDIHU-WDEREUQCSA-N 0 0 180.295 2.623 10 30 AFEERN C=CCC(=O)c1ccc(F)c(F)c1 104704686 573205103 /nfs/dbraw/zinc/20/51/03/573205103.db2.gz GYYPBUVECFMOIU-UHFFFAOYSA-N 0 0 182.169 2.724 10 30 AFEERN N#C[C@@H](CF)C1CCCCC1 258484212 573205181 /nfs/dbraw/zinc/20/51/81/573205181.db2.gz JJJHBHPHXQJQGE-SECBINFHSA-N 0 0 155.216 2.676 10 30 AFEERN C=CCC[C@](C)(C#N)N[C@H](C)CC 132083446 573205245 /nfs/dbraw/zinc/20/52/45/573205245.db2.gz UVSVYMIKENDIHU-GHMZBOCLSA-N 0 0 180.295 2.623 10 30 AFEERN CC#CCSc1cc(N)ccc1C 85935242 573208174 /nfs/dbraw/zinc/20/81/74/573208174.db2.gz JNSPLFGKFKHMEG-UHFFFAOYSA-N 0 0 191.299 2.693 10 30 AFEERN C=CCC(=O)[C@@H](OC)c1ccccc1 158352174 573208195 /nfs/dbraw/zinc/20/81/95/573208195.db2.gz CDOYBBZAKPJCIO-LBPRGKRZSA-N 0 0 190.242 2.519 10 30 AFEERN Fc1ccc2[nH]c(CS)cc2c1 257973224 573214384 /nfs/dbraw/zinc/21/43/84/573214384.db2.gz IXTINWPHBFHXBD-UHFFFAOYSA-N 0 0 181.235 2.737 10 30 AFEERN CC(C)(C)C1C=C(C=O)C(=O)CC1 223610337 573214542 /nfs/dbraw/zinc/21/45/42/573214542.db2.gz XPVOJDHTJDKLLG-BQYQJAHWSA-N 0 0 180.247 2.764 10 30 AFEERN Cc1cc2c(C#N)ccc(C#N)c2s1 306576195 573214569 /nfs/dbraw/zinc/21/45/69/573214569.db2.gz KFFWAJYKBCLFQK-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C[C@@H]1CC(OCCC#N)C[C@H](C)C1 82834455 573218022 /nfs/dbraw/zinc/21/80/22/573218022.db2.gz QMBDVENJBSKTKK-ZACCUICWSA-N 0 0 181.279 2.741 10 30 AFEERN CC[C@@]1(C)C(=O)C(C)=CC[C@H]1C 238308486 573218030 /nfs/dbraw/zinc/21/80/30/573218030.db2.gz SCLTXJHQLDFZDI-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN [N-]=[N+]=Nc1cccc(Cl)n1 197205992 573218130 /nfs/dbraw/zinc/21/81/30/573218130.db2.gz NOHMYRWOGZIPHB-UHFFFAOYSA-N 0 0 154.560 2.677 10 30 AFEERN CC(CC(F)(F)F)=NNCC(C)C 393509866 573218178 /nfs/dbraw/zinc/21/81/78/573218178.db2.gz XMTYVBYVWYZQQY-UHFFFAOYSA-N 0 0 196.216 2.560 10 30 AFEERN c1ccc(SCC[C@H]2CO2)cc1 78327601 573218356 /nfs/dbraw/zinc/21/83/56/573218356.db2.gz VGPDUHUXKXMBDQ-VIFPVBQESA-N 0 0 180.272 2.568 10 30 AFEERN CC(C)NC1(C#N)C[C@@H](C)C[C@H](C)C1 82831060 573218373 /nfs/dbraw/zinc/21/83/73/573218373.db2.gz QKFRUYFMDSIXGY-QWRGUYRKSA-N 0 0 194.322 2.703 10 30 AFEERN O=CCc1cc2ccc(Cl)cc2[nH]1 257974024 573218438 /nfs/dbraw/zinc/21/84/38/573218438.db2.gz AEFVOIPWFCTVRH-UHFFFAOYSA-N 0 0 193.633 2.563 10 30 AFEERN C=CC[C@@H](CCC1CCCCC1)NN 129126417 573218459 /nfs/dbraw/zinc/21/84/59/573218459.db2.gz GGLWSANTUOABBK-LBPRGKRZSA-N 0 0 196.338 2.755 10 30 AFEERN CCO[C@](C)(C=O)C1CCCCC1 257973026 573218479 /nfs/dbraw/zinc/21/84/79/573218479.db2.gz YTPUJMQOIFGBIG-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN CC[C@H](C#N)c1ccc2ncoc2c1 259378082 573218505 /nfs/dbraw/zinc/21/85/05/573218505.db2.gz VOBOZHNXUKXWMW-MRVPVSSYSA-N 0 0 186.214 2.845 10 30 AFEERN C=C1[C@H]2CCC(=O)[C@@H]2CC1(C)C 197205099 573218920 /nfs/dbraw/zinc/21/89/20/573218920.db2.gz CDGRQBLQHQOEGI-RKDXNWHRSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1coc2c1C1(CC1)[C@@H](C#N)CC2 259603739 573218931 /nfs/dbraw/zinc/21/89/31/573218931.db2.gz FLQHASODLAIODF-SECBINFHSA-N 0 0 187.242 2.706 10 30 AFEERN CC[C@@H](C#N)Cc1nc(C)cs1 259379855 573219034 /nfs/dbraw/zinc/21/90/34/573219034.db2.gz TYVCPDLVKLFPLH-MRVPVSSYSA-N 0 0 180.276 2.544 10 30 AFEERN C[C@H]1C[C@H](C)CC(Cl)(C#N)C1 82832021 573219164 /nfs/dbraw/zinc/21/91/64/573219164.db2.gz YYNUFOAQWQKBEW-YUMQZZPRSA-N 0 0 171.671 2.944 10 30 AFEERN CC[C@H](C#N)NC1C[C@@H](C)C[C@H](C)C1 82835056 573219188 /nfs/dbraw/zinc/21/91/88/573219188.db2.gz YBFSKBBAZKZBRE-GARJFASQSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H]1CC(OCCC#N)C[C@@H](C)C1 82834456 573219253 /nfs/dbraw/zinc/21/92/53/573219253.db2.gz QMBDVENJBSKTKK-UWVGGRQHSA-N 0 0 181.279 2.741 10 30 AFEERN CCN(CC#N)C1C[C@@H](C)C[C@H](C)C1 82832728 573219268 /nfs/dbraw/zinc/21/92/68/573219268.db2.gz MZGCMFNIOXORFZ-QWRGUYRKSA-N 0 0 194.322 2.657 10 30 AFEERN CCc1ccccc1C#CCF 238308899 573219322 /nfs/dbraw/zinc/21/93/22/573219322.db2.gz JHQDHZIZEWWELW-UHFFFAOYSA-N 0 0 162.207 2.570 10 30 AFEERN C=C(CC)C(=O)Nc1ccsc1 1147764320 758168629 /nfs/dbraw/zinc/16/86/29/758168629.db2.gz MTWWROBRXYYJCU-UHFFFAOYSA-N 0 0 181.260 2.653 10 30 AFEERN CC(C)NC1(C#N)C[C@H](C)C[C@@H](C)C1 82831061 573220545 /nfs/dbraw/zinc/22/05/45/573220545.db2.gz QKFRUYFMDSIXGY-GHMZBOCLSA-N 0 0 194.322 2.703 10 30 AFEERN N#CC[C@@H]1CCO[C@H]2CCCCC[C@H]21 259603145 573220563 /nfs/dbraw/zinc/22/05/63/573220563.db2.gz GGQLSPRWDRRYMI-WOPDTQHZSA-N 0 0 193.290 2.885 10 30 AFEERN C=CCC[C@@H](NCCC)C(F)(F)F 129067729 573220937 /nfs/dbraw/zinc/22/09/37/573220937.db2.gz JIRQVFXHEBNGTN-MRVPVSSYSA-N 0 0 195.228 2.883 10 30 AFEERN C=CC(=O)c1cc(C)n(C2CC2)c1C 235739088 573220963 /nfs/dbraw/zinc/22/09/63/573220963.db2.gz ANQRIHGNGKQTTH-UHFFFAOYSA-N 0 0 189.258 2.809 10 30 AFEERN CCC[C@H](C#N)[C@@](O)(CCC)C1CC1 308518418 573223974 /nfs/dbraw/zinc/22/39/74/573223974.db2.gz GJHSYCFTJGEXGI-VXGBXAGGSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@H](C)Nc1ccc(N(C)C)cc1 235550001 573224072 /nfs/dbraw/zinc/22/40/72/573224072.db2.gz VZDIPGPEHQUYNR-JTQLQIEISA-N 0 0 190.290 2.739 10 30 AFEERN C[C@H]1C[C@]2(CC[C@H]1C)CC(=O)C=CO2 82839425 573224151 /nfs/dbraw/zinc/22/41/51/573224151.db2.gz YHTWDHKRMIMVDW-JFGNBEQYSA-N 0 0 194.274 2.684 10 30 AFEERN CCc1cncc2cc(C#N)ccc12 257975091 573224312 /nfs/dbraw/zinc/22/43/12/573224312.db2.gz DHMZRFYOYJLIOK-UHFFFAOYSA-N 0 0 182.226 2.669 10 30 AFEERN O=CC(F)(F)C1CCCCCC1 257974609 573224359 /nfs/dbraw/zinc/22/43/59/573224359.db2.gz YYXGMFVDRYBLQH-UHFFFAOYSA-N 0 0 176.206 2.791 10 30 AFEERN O=CCc1coc2cccc(Cl)c12 258239438 573226881 /nfs/dbraw/zinc/22/68/81/573226881.db2.gz QLKDIVOHEIVFFH-UHFFFAOYSA-N 0 0 194.617 2.828 10 30 AFEERN CCC[C@@H](CC#N)C(F)F 258599641 573226935 /nfs/dbraw/zinc/22/69/35/573226935.db2.gz USTZBVKZLIFFSQ-LURJTMIESA-N 0 0 147.168 2.581 10 30 AFEERN C=CCC[C@](C)(O)c1cccs1 132146254 573227698 /nfs/dbraw/zinc/22/76/98/573227698.db2.gz QGERIVCJBBKSKV-JTQLQIEISA-N 0 0 182.288 2.922 10 30 AFEERN CCCN[C@]1(C#N)CC[C@H](C)[C@H](C)C1 82838025 573227925 /nfs/dbraw/zinc/22/79/25/573227925.db2.gz ODSREPFZQCBERX-QJPTWQEYSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H]1C[C@@]2(CC[C@H]1C)CC(=O)C=CO2 82839428 573227962 /nfs/dbraw/zinc/22/79/62/573227962.db2.gz YHTWDHKRMIMVDW-SCVCMEIPSA-N 0 0 194.274 2.684 10 30 AFEERN Cc1ccccc1NCCCS 258597807 573228027 /nfs/dbraw/zinc/22/80/27/573228027.db2.gz HELNNUPCIDHQLO-UHFFFAOYSA-N 0 0 181.304 2.727 10 30 AFEERN C=CCCCNc1cc(C)ccc1N 308519944 573229309 /nfs/dbraw/zinc/22/93/09/573229309.db2.gz HESXHHCLAWEXHK-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C=CC[C@H](C)n1ccnc1CC 715707997 573229343 /nfs/dbraw/zinc/22/93/43/573229343.db2.gz DFUGUAOTVYLBKI-VIFPVBQESA-N 0 0 164.252 2.583 10 30 AFEERN COc1cc(C)c([C@H]2O[C@@H]2C)cc1C 259387210 573229385 /nfs/dbraw/zinc/22/93/85/573229385.db2.gz RKNSCSCGPZTHRR-SKDRFNHKSA-N 0 0 192.258 2.772 10 30 AFEERN C=CCC[C@](C)(O)c1cnccc1C 132147511 573229508 /nfs/dbraw/zinc/22/95/08/573229508.db2.gz WMRMRPQITDAYQH-LBPRGKRZSA-N 0 0 191.274 2.564 10 30 AFEERN C[C@H]1C[C@@H](CC=O)CC[C@H]1C 82844482 573229523 /nfs/dbraw/zinc/22/95/23/573229523.db2.gz WPWVKWWXBLCEQS-KXUCPTDWSA-N 0 0 154.253 2.648 10 30 AFEERN COc1cc(C)c([C@H]2O[C@H]2C)cc1C 259387206 573229574 /nfs/dbraw/zinc/22/95/74/573229574.db2.gz RKNSCSCGPZTHRR-CABZTGNLSA-N 0 0 192.258 2.772 10 30 AFEERN CC[C@H](C#N)CN(C)c1ccc(C)o1 259038188 573229597 /nfs/dbraw/zinc/22/95/97/573229597.db2.gz RAORVEPDBADIHV-SNVBAGLBSA-N 0 0 192.262 2.574 10 30 AFEERN C[C@H](CCC=O)C1=CC(C)(C)CC1=O 238413888 573229728 /nfs/dbraw/zinc/22/97/28/573229728.db2.gz UPDLAJOAGRVGGB-SECBINFHSA-N 0 0 194.274 2.527 10 30 AFEERN C=CCC[C@](C)(O)c1cncc(C)c1 132149604 573234250 /nfs/dbraw/zinc/23/42/50/573234250.db2.gz OVUPPZNKHKNHFG-LBPRGKRZSA-N 0 0 191.274 2.564 10 30 AFEERN C=CCc1ccccc1NC(=O)OC 238323657 573234267 /nfs/dbraw/zinc/23/42/67/573234267.db2.gz NOHIDFPJQOSINS-UHFFFAOYSA-N 0 0 191.230 2.593 10 30 AFEERN C=CC[C@@H](NN)C(CCC)CCC 129108880 573234410 /nfs/dbraw/zinc/23/44/10/573234410.db2.gz NLEGTMAXVURQDK-LLVKDONJSA-N 0 0 184.327 2.611 10 30 AFEERN C[C@H]1CC(C)(C)CC2=CC(=O)C[C@@H]21 197225713 573234448 /nfs/dbraw/zinc/23/44/48/573234448.db2.gz RQOSXDFDKJPEJL-GZMMTYOYSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@@]1(O)CCCC(C)(C)C1 86020735 573234454 /nfs/dbraw/zinc/23/44/54/573234454.db2.gz NVHOOCRYPJJMBT-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=C[C@H](c1ccc(C)cc1)[C@@H](C)CO 308524740 573234491 /nfs/dbraw/zinc/23/44/91/573234491.db2.gz ASIGEWYSAAKIFY-AAEUAGOBSA-N 0 0 190.286 2.893 10 30 AFEERN C=C(C)[C@@H](O)c1ccc(CC)cc1 86019471 573234512 /nfs/dbraw/zinc/23/45/12/573234512.db2.gz DGKRLJAMZQBIQR-GFCCVEGCSA-N 0 0 176.259 2.859 10 30 AFEERN CC[C@H]1C[C@H](C)C(=O)C=C1C 238323596 573234591 /nfs/dbraw/zinc/23/45/91/573234591.db2.gz GEONJBQERSNXAC-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H](C)C(=O)c1ccsn1 715711875 573234653 /nfs/dbraw/zinc/23/46/53/573234653.db2.gz XTYNVGBKCLWICZ-SSDOTTSWSA-N 0 0 181.260 2.538 10 30 AFEERN C=C(C)C(=O)CSC(C)(C)C 86023171 573235100 /nfs/dbraw/zinc/23/51/00/573235100.db2.gz GXEZWTRPGSHLRE-UHFFFAOYSA-N 0 0 172.293 2.663 10 30 AFEERN C=C(C)C(=O)[C@H]1CC[C@H](C)C1 86023512 573235177 /nfs/dbraw/zinc/23/51/77/573235177.db2.gz OBVJXOKSABQPAG-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)c1ccccc1NC(=O)OC 238323608 573235209 /nfs/dbraw/zinc/23/52/09/573235209.db2.gz DGMKZHJLJJTZOO-UHFFFAOYSA-N 0 0 191.230 2.898 10 30 AFEERN C[C@H](Cn1cccc1C#N)C1CCC1 306869890 573235215 /nfs/dbraw/zinc/23/52/15/573235215.db2.gz SQUGWXXTBYJQQN-SNVBAGLBSA-N 0 0 188.274 2.796 10 30 AFEERN CCC1CCC(CC=O)CC1 82856290 573235276 /nfs/dbraw/zinc/23/52/76/573235276.db2.gz AJZZFYUOIDYMRC-UHFFFAOYSA-N 0 0 154.253 2.792 10 30 AFEERN C[C@@H]1CCC[C@H](OCCC[C@H]2CO2)C1 308527082 573235278 /nfs/dbraw/zinc/23/52/78/573235278.db2.gz PLQKJHPKLOPLOI-WOPDTQHZSA-N 0 0 198.306 2.761 10 30 AFEERN CCC[C@](C#N)(C1CC1)N1CCCC1 308526552 573235300 /nfs/dbraw/zinc/23/53/00/573235300.db2.gz IXCSERPHDMSXEV-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN C=C(C)C(=O)c1ccc2ccccc2n1 86022878 573235358 /nfs/dbraw/zinc/23/53/58/573235358.db2.gz LFWGSADUSRJNHH-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN C=C(C)CC(=O)c1cccc(C)n1 86022915 573235368 /nfs/dbraw/zinc/23/53/68/573235368.db2.gz NCTJVHDMANMBKI-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN Cc1cc([C@@H](S)N(C)C)ccc1F 259388815 573235394 /nfs/dbraw/zinc/23/53/94/573235394.db2.gz GWLOADYPEFXXSX-SNVBAGLBSA-N 0 0 199.294 2.624 10 30 AFEERN C#CC(C)(C)Oc1ccc(C#N)cc1C 393498762 573235451 /nfs/dbraw/zinc/23/54/51/573235451.db2.gz RBWNFIWZKFUWEP-UHFFFAOYSA-N 0 0 199.253 2.657 10 30 AFEERN C=C(C)C(=O)C1CCC(C)CC1 86022607 573235476 /nfs/dbraw/zinc/23/54/76/573235476.db2.gz NRNPTJWUIWZMOU-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)c1cc(F)ccc1C 86022650 573235669 /nfs/dbraw/zinc/23/56/69/573235669.db2.gz VZNHGZFHBQAIDY-UHFFFAOYSA-N 0 0 178.206 2.893 10 30 AFEERN C=C(C)C(=O)Cc1cc(C)cc(C)c1 86022679 573235818 /nfs/dbraw/zinc/23/58/18/573235818.db2.gz ATEUBDNUERDZOO-UHFFFAOYSA-N 0 0 188.270 2.991 10 30 AFEERN CCC[C@@](C#N)(C1CC1)N1CCCC1 308526550 573235902 /nfs/dbraw/zinc/23/59/02/573235902.db2.gz IXCSERPHDMSXEV-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN C=C(CCOCO)[C@H]1CC=C(C)CC1 308528284 573236081 /nfs/dbraw/zinc/23/60/81/573236081.db2.gz BPTWCGGFSDXTEF-LBPRGKRZSA-N 0 0 196.290 2.646 10 30 AFEERN C=C(C)C(=O)CSC1CCCC1 86023207 573238744 /nfs/dbraw/zinc/23/87/44/573238744.db2.gz WBKSGJKCTRHGTB-UHFFFAOYSA-N 0 0 184.304 2.807 10 30 AFEERN C=C(C)C(=O)[C@H]1CC[C@@H](C)C1 86023504 573238748 /nfs/dbraw/zinc/23/87/48/573238748.db2.gz OBVJXOKSABQPAG-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)[C@@H]1CC[C@H](CC)C1 86023569 573238817 /nfs/dbraw/zinc/23/88/17/573238817.db2.gz FYEKMGXEMCZWBH-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cccc([C@]2(C)C[C@@H]2C#N)c1 259042056 573238977 /nfs/dbraw/zinc/23/89/77/573238977.db2.gz TVPVEQZSTSZGNF-NEPJUHHUSA-N 0 0 171.243 2.796 10 30 AFEERN C[C@@H]1CCC[C@@H](OCCC[C@@H]2CO2)C1 308527079 573239062 /nfs/dbraw/zinc/23/90/62/573239062.db2.gz PLQKJHPKLOPLOI-IJLUTSLNSA-N 0 0 198.306 2.761 10 30 AFEERN C=CCC(=O)[C@]1(OC)CCC[C@@H](C)C1 159425109 573239174 /nfs/dbraw/zinc/23/91/74/573239174.db2.gz FPQIACCVBYEDBW-PWSUYJOCSA-N 0 0 196.290 2.727 10 30 AFEERN C=C(C)C(=O)[C@@H]1CCC[C@H](C)C1 86022581 573239197 /nfs/dbraw/zinc/23/91/97/573239197.db2.gz UTGJTSNZICUBTH-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)N[C@@]1(C#N)C[C@H](C)CC[C@H]1C 82860188 573239204 /nfs/dbraw/zinc/23/92/04/573239204.db2.gz GCFMAHGLQCOIHF-IJLUTSLNSA-N 0 0 194.322 2.703 10 30 AFEERN C=CCC[C@](C)(O)c1cccc(F)c1 132162344 573240504 /nfs/dbraw/zinc/24/05/04/573240504.db2.gz SACAMLWTWGMZLE-LBPRGKRZSA-N 0 0 194.249 2.999 10 30 AFEERN CC(C)N[C@]1(C#N)CCC[C@@H](C)[C@H]1C 82860178 573240523 /nfs/dbraw/zinc/24/05/23/573240523.db2.gz VQXRGWUGPGDHKU-UTUOFQBUSA-N 0 0 194.322 2.703 10 30 AFEERN CC(C)N[C@@]1(C#N)C[C@H](C)CC[C@@H]1C 82860186 573240532 /nfs/dbraw/zinc/24/05/32/573240532.db2.gz GCFMAHGLQCOIHF-GRYCIOLGSA-N 0 0 194.322 2.703 10 30 AFEERN C=CC(=O)C1(OCC)CCC(C)CC1 159424399 573240646 /nfs/dbraw/zinc/24/06/46/573240646.db2.gz XHRWWCKWIXIODN-UHFFFAOYSA-N 0 0 196.290 2.727 10 30 AFEERN C=CCC[C@@](C)(O)c1cccc(F)c1 132162168 573240716 /nfs/dbraw/zinc/24/07/16/573240716.db2.gz SACAMLWTWGMZLE-GFCCVEGCSA-N 0 0 194.249 2.999 10 30 AFEERN C=CCC[C@](C)(O)c1ccc(F)cc1 132188857 573240731 /nfs/dbraw/zinc/24/07/31/573240731.db2.gz FRMPCSWPZNVVCZ-LBPRGKRZSA-N 0 0 194.249 2.999 10 30 AFEERN CCCN[C@]1(C#N)CCC[C@H](C)[C@@H]1C 82860166 573240778 /nfs/dbraw/zinc/24/07/78/573240778.db2.gz OZNSAZLXFBVHKW-SRVKXCTJSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H](F)/C=C\C(=O)c1ccccc1 215096274 573240823 /nfs/dbraw/zinc/24/08/23/573240823.db2.gz HAFUPFHDLVBZLY-FUOZMLNRSA-N 0 0 178.206 2.784 10 30 AFEERN C=CCC(=O)[C@@]1(OC)CCC[C@@H](C)C1 159424829 573240828 /nfs/dbraw/zinc/24/08/28/573240828.db2.gz FPQIACCVBYEDBW-ZYHUDNBSSA-N 0 0 196.290 2.727 10 30 AFEERN C#CCCC[C@@](C)(O)CCC=C 132190277 573240838 /nfs/dbraw/zinc/24/08/38/573240838.db2.gz CXHRATDYULMWDC-NSHDSACASA-N 0 0 166.264 2.507 10 30 AFEERN CC(C)N[C@@]1(C#N)CC[C@@H](C)C[C@H]1C 82860184 573240847 /nfs/dbraw/zinc/24/08/47/573240847.db2.gz ZMUASIFGBQYATC-IJLUTSLNSA-N 0 0 194.322 2.703 10 30 AFEERN CC(C)N[C@]1(C#N)CCC[C@H](C)[C@H]1C 82860179 573240923 /nfs/dbraw/zinc/24/09/23/573240923.db2.gz VQXRGWUGPGDHKU-TUAOUCFPSA-N 0 0 194.322 2.703 10 30 AFEERN CCCN[C@]1(C#N)C[C@@H](C)CC[C@@H]1C 82860176 573240986 /nfs/dbraw/zinc/24/09/86/573240986.db2.gz MGNLEEZEXFDCRA-SRVKXCTJSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)CC[C@@](O)(C1CC1)[C@@H](C)C#N 308521612 573241086 /nfs/dbraw/zinc/24/10/86/573241086.db2.gz HYHRKOQTYBRXKS-JQWIXIFHSA-N 0 0 195.306 2.723 10 30 AFEERN Cc1cc(C)cc(NCS)c1 258607081 573241388 /nfs/dbraw/zinc/24/13/88/573241388.db2.gz IAEVGRNZWJUAKZ-UHFFFAOYSA-N 0 0 167.277 2.603 10 30 AFEERN C=CCC[C@](C)(O)CC[C@H]1CCCO1 132211152 573241481 /nfs/dbraw/zinc/24/14/81/573241481.db2.gz YFZJALMWSQVQBN-NEPJUHHUSA-N 0 0 198.306 2.663 10 30 AFEERN CCCCC#C/C(C)=C/[C@H](O)CC 215097787 573241542 /nfs/dbraw/zinc/24/15/42/573241542.db2.gz PKNDTQBOFDODFJ-HCRIHEDKSA-N 0 0 180.291 2.897 10 30 AFEERN CCCN[C@]1(C#N)C[C@H](C)CC[C@@H]1C 82860174 573241551 /nfs/dbraw/zinc/24/15/51/573241551.db2.gz MGNLEEZEXFDCRA-WOPDTQHZSA-N 0 0 194.322 2.704 10 30 AFEERN C=C[C@H](O)[C@@H](C)CCC=C(C)C 238419323 573241567 /nfs/dbraw/zinc/24/15/67/573241567.db2.gz KGGPOSHSESKBQS-QWRGUYRKSA-N 0 0 168.280 2.916 10 30 AFEERN CCCN[C@]1(C#N)CCC[C@@H](C)[C@@H]1C 82860168 573242019 /nfs/dbraw/zinc/24/20/19/573242019.db2.gz OZNSAZLXFBVHKW-WOPDTQHZSA-N 0 0 194.322 2.704 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 715723297 573242030 /nfs/dbraw/zinc/24/20/30/573242030.db2.gz FMOFPRNUAMDCAB-ZNSHCXBVSA-N 0 0 178.275 2.814 10 30 AFEERN CC(C)CC[C@](O)(C1CC1)[C@@H](C)C#N 308521611 573242096 /nfs/dbraw/zinc/24/20/96/573242096.db2.gz HYHRKOQTYBRXKS-CMPLNLGQSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)[C@@H](C)[C@@H](C#N)NC1CCCC1 308521671 573242149 /nfs/dbraw/zinc/24/21/49/573242149.db2.gz SXKGMIHUZRHJAD-ZYHUDNBSSA-N 0 0 194.322 2.703 10 30 AFEERN CCCN[C@]1(C#N)CC[C@H](C)C[C@@H]1C 82860170 573242228 /nfs/dbraw/zinc/24/22/28/573242228.db2.gz WFGCVEBJNBGICR-SRVKXCTJSA-N 0 0 194.322 2.704 10 30 AFEERN COc1ccccc1[C@@H]1C[C@@]1(C)C#N 259043833 573242620 /nfs/dbraw/zinc/24/26/20/573242620.db2.gz UEEZXSQUWYVVOE-JQWIXIFHSA-N 0 0 187.242 2.712 10 30 AFEERN C=CCCOC(=O)C[C@H](C)C(C)C 308320202 573242915 /nfs/dbraw/zinc/24/29/15/573242915.db2.gz APOOPOSZJSZLEI-JTQLQIEISA-N 0 0 184.279 2.788 10 30 AFEERN C=C(C)C[C@H]1CCC[C@H](O)C1 86064133 573242921 /nfs/dbraw/zinc/24/29/21/573242921.db2.gz SWAVXJFTZBNRND-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN CC(C)[C@@H](C)[C@H](C#N)NC1CCCC1 308521670 573242922 /nfs/dbraw/zinc/24/29/22/573242922.db2.gz SXKGMIHUZRHJAD-PWSUYJOCSA-N 0 0 194.322 2.703 10 30 AFEERN CCc1cc2c(F)cc(C#N)cc2[nH]1 238315773 573242949 /nfs/dbraw/zinc/24/29/49/573242949.db2.gz BDZOAIBVCNPNQP-UHFFFAOYSA-N 0 0 188.205 2.741 10 30 AFEERN C/C=C(\CC=O)c1ccccc1 78328108 573242971 /nfs/dbraw/zinc/24/29/71/573242971.db2.gz ICSFEGRQBPWRJB-WTDSWWLTSA-N 0 0 160.216 2.679 10 30 AFEERN C=CCC[C@](C)(O)CC[C@@H]1CCCO1 132210728 573243023 /nfs/dbraw/zinc/24/30/23/573243023.db2.gz YFZJALMWSQVQBN-RYUDHWBXSA-N 0 0 198.306 2.663 10 30 AFEERN C=CCC[C@@](C)(O)[C@@H](C)CC 132206456 573243097 /nfs/dbraw/zinc/24/30/97/573243097.db2.gz ZATXKTQLIMKOJA-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN Cc1ccc(/C(Cl)=N/O)cc1C 235745822 573243098 /nfs/dbraw/zinc/24/30/98/573243098.db2.gz LKLBVVDEIUMMRM-LUAWRHEFSA-N 0 0 183.638 2.678 10 30 AFEERN CCCCC#C/C(C)=C/[C@@H](O)CC 215097829 573243226 /nfs/dbraw/zinc/24/32/26/573243226.db2.gz PKNDTQBOFDODFJ-IIANPFDCSA-N 0 0 180.291 2.897 10 30 AFEERN CC[C@@H](C#N)CCC(C)C 77950324 573243286 /nfs/dbraw/zinc/24/32/86/573243286.db2.gz NHCLSWLZJXPPNK-SECBINFHSA-N 0 0 139.242 2.972 10 30 AFEERN C[C@@H]1CC[C@@H](C)[C@](Cl)(C#N)C1 82861954 573243300 /nfs/dbraw/zinc/24/33/00/573243300.db2.gz NLFCHWIUIZGXGS-IWSPIJDZSA-N 0 0 171.671 2.944 10 30 AFEERN C[C@@H]1CC[C@@](Cl)(C#N)[C@H](C)C1 82861946 573243320 /nfs/dbraw/zinc/24/33/20/573243320.db2.gz NAWYMXHLCAAKOL-IWSPIJDZSA-N 0 0 171.671 2.944 10 30 AFEERN CC(C)CC[C@](O)(C1CC1)[C@H](C)C#N 308521614 573243347 /nfs/dbraw/zinc/24/33/47/573243347.db2.gz HYHRKOQTYBRXKS-ZYHUDNBSSA-N 0 0 195.306 2.723 10 30 AFEERN N#CC1CCC(C(F)(F)F)CC1 82862571 573243377 /nfs/dbraw/zinc/24/33/77/573243377.db2.gz RQPXHDMPBNDCIC-UHFFFAOYSA-N 0 0 177.169 2.879 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@H](OC)C1CCC1 715724100 573243394 /nfs/dbraw/zinc/24/33/94/573243394.db2.gz IMIIZKYHFVJOBG-BXKDBHETSA-N 0 0 196.290 2.583 10 30 AFEERN CC[C@H](C#N)CCC(C)C 77950322 573243395 /nfs/dbraw/zinc/24/33/95/573243395.db2.gz NHCLSWLZJXPPNK-VIFPVBQESA-N 0 0 139.242 2.972 10 30 AFEERN C=CCCOC(=O)C[C@@H](C)C(C)C 308320203 573243404 /nfs/dbraw/zinc/24/34/04/573243404.db2.gz APOOPOSZJSZLEI-SNVBAGLBSA-N 0 0 184.279 2.788 10 30 AFEERN C=CC[C@H](C)C(=O)[C@@H](OC)C1CCC1 715724108 573243429 /nfs/dbraw/zinc/24/34/29/573243429.db2.gz IMIIZKYHFVJOBG-CABZTGNLSA-N 0 0 196.290 2.583 10 30 AFEERN C=C(C)CC1=CC(=O)CCC1 86063567 573243809 /nfs/dbraw/zinc/24/38/09/573243809.db2.gz YRUYBBWHVQRNAF-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=CC[C@H](C)C(=O)[C@H](OC)C1CCC1 715724112 573243817 /nfs/dbraw/zinc/24/38/17/573243817.db2.gz IMIIZKYHFVJOBG-JOYOIKCWSA-N 0 0 196.290 2.583 10 30 AFEERN CC(C)[C@H](C)[C@@H](C#N)NC1CCCC1 308521668 573243828 /nfs/dbraw/zinc/24/38/28/573243828.db2.gz SXKGMIHUZRHJAD-CMPLNLGQSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H]1CC[C@](Cl)(C#N)[C@H](C)C1 82861944 573246036 /nfs/dbraw/zinc/24/60/36/573246036.db2.gz NAWYMXHLCAAKOL-HLTSFMKQSA-N 0 0 171.671 2.944 10 30 AFEERN CC[C@@H](C#N)c1ccc([C@@H](C)O)cc1 238315631 573245439 /nfs/dbraw/zinc/24/54/39/573245439.db2.gz HREFDMSSTODALS-ZJUUUORDSA-N 0 0 189.258 2.757 10 30 AFEERN CCCCCSCCS 116080164 573245730 /nfs/dbraw/zinc/24/57/30/573245730.db2.gz JABVFBCJCKIMQZ-UHFFFAOYSA-N 0 0 164.339 2.840 10 30 AFEERN C=CCCCOC(=O)c1cccs1 308320915 573245803 /nfs/dbraw/zinc/24/58/03/573245803.db2.gz AZMUXIMFABMDIQ-UHFFFAOYSA-N 0 0 196.271 2.871 10 30 AFEERN N#C[C@@H]1CCC[C@H](C(F)(F)F)C1 82862824 573245824 /nfs/dbraw/zinc/24/58/24/573245824.db2.gz INODYZDOIFWNIG-RQJHMYQMSA-N 0 0 177.169 2.879 10 30 AFEERN COc1ccccc1[C@H]1C[C@@]1(C)C#N 259043834 573246002 /nfs/dbraw/zinc/24/60/02/573246002.db2.gz UEEZXSQUWYVVOE-PWSUYJOCSA-N 0 0 187.242 2.712 10 30 AFEERN C[C@@H]1CCC[C@](Cl)(C#N)[C@@H]1C 82861948 573246003 /nfs/dbraw/zinc/24/60/03/573246003.db2.gz DLGOLHKNGVYDKR-HLTSFMKQSA-N 0 0 171.671 2.944 10 30 AFEERN N#C[C@@H]1CCC[C@@H](C(F)(F)F)C1 82862822 573246522 /nfs/dbraw/zinc/24/65/22/573246522.db2.gz INODYZDOIFWNIG-RNFRBKRXSA-N 0 0 177.169 2.879 10 30 AFEERN N#C[C@H]1CCC[C@H](C(F)(F)F)C1 82862823 573246696 /nfs/dbraw/zinc/24/66/96/573246696.db2.gz INODYZDOIFWNIG-BQBZGAKWSA-N 0 0 177.169 2.879 10 30 AFEERN CC[C@@H](C#N)N(C)CCCC(C)C 308321842 573246722 /nfs/dbraw/zinc/24/67/22/573246722.db2.gz ZDRVAUKYOYSESW-NSHDSACASA-N 0 0 182.311 2.657 10 30 AFEERN Cc1ccc(C(=O)C2(C#N)CCC2)cc1 259049295 573246783 /nfs/dbraw/zinc/24/67/83/573246783.db2.gz BRCONOVUHJDXRQ-UHFFFAOYSA-N 0 0 199.253 2.872 10 30 AFEERN C[C@@H](CC=O)c1ccc(O)c(Cl)c1 258245222 573249404 /nfs/dbraw/zinc/24/94/04/573249404.db2.gz XCKUGTFRJZOWBJ-ZETCQYMHSA-N 0 0 198.649 2.738 10 30 AFEERN C[C@]1(C=NOC2CCC2)CCCS1 308322740 573249443 /nfs/dbraw/zinc/24/94/43/573249443.db2.gz CLZVBOLJLDRKBU-SNVBAGLBSA-N 0 0 199.319 2.827 10 30 AFEERN CCc1cc2cc(F)c(C#N)cc2[nH]1 238317169 573249449 /nfs/dbraw/zinc/24/94/49/573249449.db2.gz LDODRRPJRJTMAR-UHFFFAOYSA-N 0 0 188.205 2.741 10 30 AFEERN CC[C@H](C#N)C1(C(C)(C)C)COC1 259049997 573249537 /nfs/dbraw/zinc/24/95/37/573249537.db2.gz AOGPOUAJXOKYGI-SECBINFHSA-N 0 0 181.279 2.599 10 30 AFEERN C[C@H](S)c1ccc2c(c1)CCO2 259050176 573249632 /nfs/dbraw/zinc/24/96/32/573249632.db2.gz AQUSKGQNQBRCEI-ZETCQYMHSA-N 0 0 180.272 2.612 10 30 AFEERN C#CCCCC(=O)OC(C)(C)CC 308322950 573249729 /nfs/dbraw/zinc/24/97/29/573249729.db2.gz ZUCMHMOWDFALFQ-UHFFFAOYSA-N 0 0 182.263 2.522 10 30 AFEERN C=CCOCCCSCCCC#N 308322538 573249765 /nfs/dbraw/zinc/24/97/65/573249765.db2.gz CJLCTGGPZLCREN-UHFFFAOYSA-N 0 0 199.319 2.616 10 30 AFEERN CC(C)[C@@H]1CC[C@H](C)C/C1=N/O 105339608 573254003 /nfs/dbraw/zinc/25/40/03/573254003.db2.gz XJKYDNDJFRDNHX-UXOBFIJVSA-N 0 0 169.268 2.909 10 30 AFEERN Cc1ccc2sc(CC=O)cc2c1 258245172 573250880 /nfs/dbraw/zinc/25/08/80/573250880.db2.gz QYRYUUOGPJSGIO-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN COC(C)(C)Cc1ccc(C#N)cc1 215113863 573253928 /nfs/dbraw/zinc/25/39/28/573253928.db2.gz NQNKMTUJPASNJT-UHFFFAOYSA-N 0 0 189.258 2.526 10 30 AFEERN C#CCn1ccc2cccc(Cl)c21 236053791 573255373 /nfs/dbraw/zinc/25/53/73/573255373.db2.gz QSKNUCYBAMMHPZ-UHFFFAOYSA-N 0 0 189.645 2.928 10 30 AFEERN O=CCc1cc2c(Cl)cccc2[nH]1 258259472 573255400 /nfs/dbraw/zinc/25/54/00/573255400.db2.gz RUOKSUUJNWPQRM-UHFFFAOYSA-N 0 0 193.633 2.563 10 30 AFEERN C[C@@H]1CCC[C@H]2CCC(=O)C=C21 105334300 573255563 /nfs/dbraw/zinc/25/55/63/573255563.db2.gz CEVHCTQFDVNYDU-BDAKNGLRSA-N 0 0 164.248 2.712 10 30 AFEERN COc1cc(C)c(C)cc1[C@@H]1O[C@H]1C 259394597 573255637 /nfs/dbraw/zinc/25/56/37/573255637.db2.gz RWHBXVUGZKUNSQ-JOYOIKCWSA-N 0 0 192.258 2.772 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H](C)CCCC 308328372 573255667 /nfs/dbraw/zinc/25/56/67/573255667.db2.gz HDAVESLPXHGEMU-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN COc1cc(C)c(C)cc1[C@@H]1O[C@@H]1C 259394580 573255695 /nfs/dbraw/zinc/25/56/95/573255695.db2.gz RWHBXVUGZKUNSQ-BXKDBHETSA-N 0 0 192.258 2.772 10 30 AFEERN CC(F)(F)[C@H](CC=O)C1CCC1 257981370 573256315 /nfs/dbraw/zinc/25/63/15/573256315.db2.gz ZSEXCEBEEIFQRY-MRVPVSSYSA-N 0 0 176.206 2.647 10 30 AFEERN N#Cc1ccccc1C1CCC1 258117467 573256828 /nfs/dbraw/zinc/25/68/28/573256828.db2.gz ZQFXOLNSRCJVPY-UHFFFAOYSA-N 0 0 157.216 2.826 10 30 AFEERN CCc1occ(-c2ccc[nH]2)c1C#N 259397316 573256884 /nfs/dbraw/zinc/25/68/84/573256884.db2.gz BBWKKIQMESBUSS-UHFFFAOYSA-N 0 0 186.214 2.709 10 30 AFEERN CC1=C2CCCC[C@H]2[C@@H](C)C1=O 105334265 573256898 /nfs/dbraw/zinc/25/68/98/573256898.db2.gz GFAVYZDBJWVZQY-APPZFPTMSA-N 0 0 164.248 2.712 10 30 AFEERN N#CCCc1ccc2[nH]ccc2c1 259053672 573256946 /nfs/dbraw/zinc/25/69/46/573256946.db2.gz AFTFJFHCTPUWIU-UHFFFAOYSA-N 0 0 170.215 2.624 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1ccccc1 259052511 573256950 /nfs/dbraw/zinc/25/69/50/573256950.db2.gz VMOUJJICMJQLSF-QWRGUYRKSA-N 0 0 157.216 2.704 10 30 AFEERN CCO[C@@H](CC=O)CC1CCCC1 257980524 573257053 /nfs/dbraw/zinc/25/70/53/573257053.db2.gz ZOIOLBYMEBFKFX-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN Cc1cccc([C@@H](C=O)[C@@H](C)F)c1 257980689 573257265 /nfs/dbraw/zinc/25/72/65/573257265.db2.gz ZQGOCBZEAMNNQS-KOLCDFICSA-N 0 0 180.222 2.636 10 30 AFEERN Cc1cc2sc(N)cc2cc1C#N 306875871 573257333 /nfs/dbraw/zinc/25/73/33/573257333.db2.gz BKPGGNKCYQRUAU-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN COc1ccc(-c2c[nH]c(C#N)c2)cc1 259053385 573257705 /nfs/dbraw/zinc/25/77/05/573257705.db2.gz AAJBXWJSPYMGGR-UHFFFAOYSA-N 0 0 198.225 2.562 10 30 AFEERN Cc1cccc([C@H](C=O)[C@H](C)F)c1 257980686 573257753 /nfs/dbraw/zinc/25/77/53/573257753.db2.gz ZQGOCBZEAMNNQS-GXSJLCMTSA-N 0 0 180.222 2.636 10 30 AFEERN N#Cc1cccn1CCC1CCC1 306878643 573257831 /nfs/dbraw/zinc/25/78/31/573257831.db2.gz DACOHTHJDYXLNW-UHFFFAOYSA-N 0 0 174.247 2.550 10 30 AFEERN C=CC[C@H]1C(=O)CC[C@H]1CC 142452444 573257890 /nfs/dbraw/zinc/25/78/90/573257890.db2.gz RAFGPRUXSVETOI-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](C)C(=O)CCCOCC 715742999 573258030 /nfs/dbraw/zinc/25/80/30/573258030.db2.gz GVFBHBZPPXZUDH-JTQLQIEISA-N 0 0 184.279 2.584 10 30 AFEERN C=CC[C@H]1C(=O)CC[C@@H]1CC 142452638 573258039 /nfs/dbraw/zinc/25/80/39/573258039.db2.gz RAFGPRUXSVETOI-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN N#Cc1csc(-c2ccccn2)c1 259398989 573258056 /nfs/dbraw/zinc/25/80/56/573258056.db2.gz GXSWOCWHSPVENQ-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN CCc1cc2sc(C#N)cc2[nH]1 259394309 573261315 /nfs/dbraw/zinc/26/13/15/573261315.db2.gz JFFAUXCHHXYSHH-UHFFFAOYSA-N 0 0 176.244 2.663 10 30 AFEERN C=CCN(CC)c1cccc(Cl)n1 308332090 573261408 /nfs/dbraw/zinc/26/14/08/573261408.db2.gz JFQAVWBANKEGQW-UHFFFAOYSA-N 0 0 196.681 2.747 10 30 AFEERN CC[C@H]1CCCC[C@@H]1C=NO 401953832 573261462 /nfs/dbraw/zinc/26/14/62/573261462.db2.gz MVZWCXXHZNLCPO-DTWKUNHWSA-N 0 0 155.241 2.663 10 30 AFEERN C=CC[C@@H](C)C(=O)CCCOCC 715743000 573261483 /nfs/dbraw/zinc/26/14/83/573261483.db2.gz GVFBHBZPPXZUDH-SNVBAGLBSA-N 0 0 184.279 2.584 10 30 AFEERN C=C[C@@H]1CC[C@@H](OC)[C@]1(C)CCC=O 308338055 573269204 /nfs/dbraw/zinc/26/92/04/573269204.db2.gz TWPXMKSQBUANRW-IJLUTSLNSA-N 0 0 196.290 2.583 10 30 AFEERN C=C[C@@H](C)CC(=O)Nc1ccccc1 142433911 573269272 /nfs/dbraw/zinc/26/92/72/573269272.db2.gz NOOKEDMMCNFCHJ-SNVBAGLBSA-N 0 0 189.258 2.837 10 30 AFEERN C=C(C)C(=O)Nc1ccc(C)c(C)c1 142420428 573270389 /nfs/dbraw/zinc/27/03/89/573270389.db2.gz MEOFXMXSJBMBAD-UHFFFAOYSA-N 0 0 189.258 2.818 10 30 AFEERN C=CC[C@H](C)[C@@H](NN)C(C)(CC)CC 715750581 573270924 /nfs/dbraw/zinc/27/09/24/573270924.db2.gz VLCLABRCFXGCRC-WDEREUQCSA-N 0 0 198.354 2.857 10 30 AFEERN Cc1c(F)cc([C@H](C)CC=O)cc1F 257986943 573271048 /nfs/dbraw/zinc/27/10/48/573271048.db2.gz FDFVJYLRUGTXRV-SSDOTTSWSA-N 0 0 198.212 2.966 10 30 AFEERN Cc1cccc2c1C[C@H](CC=O)S2 258273916 573273127 /nfs/dbraw/zinc/27/31/27/573273127.db2.gz SUMJJWSDBYYBDV-VIFPVBQESA-N 0 0 192.283 2.601 10 30 AFEERN C=C[C@H](C)CC(=O)Nc1ccccc1 142434108 573273233 /nfs/dbraw/zinc/27/32/33/573273233.db2.gz NOOKEDMMCNFCHJ-JTQLQIEISA-N 0 0 189.258 2.837 10 30 AFEERN C=CC(=O)Cc1c(C)cc(C)cc1C 235752600 573273318 /nfs/dbraw/zinc/27/33/18/573273318.db2.gz GZSKMEUBGSJIDD-UHFFFAOYSA-N 0 0 188.270 2.909 10 30 AFEERN C=CC[C@@H]1C(=O)CC[C@H]1CC 142452853 573273330 /nfs/dbraw/zinc/27/33/30/573273330.db2.gz RAFGPRUXSVETOI-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C/C(=N/O)c1cccc(Cl)c1 105626186 573276056 /nfs/dbraw/zinc/27/60/56/573276056.db2.gz REDNYMGXSZQBOU-POHAHGRESA-N 0 0 169.611 2.538 10 30 AFEERN Cc1cccc2c1[C@H](CC=O)CS2 257990647 573277245 /nfs/dbraw/zinc/27/72/45/573277245.db2.gz BHUSNRYYNTWWNH-SECBINFHSA-N 0 0 192.283 2.773 10 30 AFEERN CC(C)CC[C@]1(C)CCC[C@H](C=O)O1 308537691 573281583 /nfs/dbraw/zinc/28/15/83/573281583.db2.gz MVWUDHDKSLNNPZ-NEPJUHHUSA-N 0 0 198.306 2.949 10 30 AFEERN CC(C)CC[C@]1(C)CCC[C@@H](C=O)O1 308537693 573281653 /nfs/dbraw/zinc/28/16/53/573281653.db2.gz MVWUDHDKSLNNPZ-RYUDHWBXSA-N 0 0 198.306 2.949 10 30 AFEERN C=CCc1ccc(NC)c(C)c1 238333061 573282008 /nfs/dbraw/zinc/28/20/08/573282008.db2.gz JTIKQUJNZTWSSE-UHFFFAOYSA-N 0 0 161.248 2.765 10 30 AFEERN C/C(=N\O)c1[nH]c2ccccc2c1C 105772765 573282016 /nfs/dbraw/zinc/28/20/16/573282016.db2.gz HDKHUPYRRVEUAL-MDWZMJQESA-N 0 0 188.230 2.675 10 30 AFEERN N#C[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]2C1 259402766 573285270 /nfs/dbraw/zinc/28/52/70/573285270.db2.gz BPWBOIQHJPCDCT-PJXYFTJBSA-N 0 0 183.254 2.878 10 30 AFEERN C/C=C\c1ccccc1C#N 218036907 573285401 /nfs/dbraw/zinc/28/54/01/573285401.db2.gz IXEDEVMEQKDBMN-DJWKRKHSSA-N 0 0 143.189 2.591 10 30 AFEERN C[C@@]1(c2cccs2)C[C@@H]1C#N 259069137 573285412 /nfs/dbraw/zinc/28/54/12/573285412.db2.gz XWSWDKPEXJESSQ-VXNVDRBHSA-N 0 0 163.245 2.549 10 30 AFEERN CC(C)CC[C@@]1(C)CCC[C@H](C=O)O1 308537694 573285433 /nfs/dbraw/zinc/28/54/33/573285433.db2.gz MVWUDHDKSLNNPZ-VXGBXAGGSA-N 0 0 198.306 2.949 10 30 AFEERN Cc1cc(C#N)c(N=N)s1 71973826 573286134 /nfs/dbraw/zinc/28/61/34/573286134.db2.gz MCISUQLIBPRZOM-UHFFFAOYSA-N 0 0 151.194 2.591 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@@H]1CC12CC2 715757798 573286368 /nfs/dbraw/zinc/28/63/68/573286368.db2.gz LIZLWKFGSHIDCI-BDAKNGLRSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cccc(C/C=C\CC=O)c1 258278028 573286472 /nfs/dbraw/zinc/28/64/72/573286472.db2.gz SJOXTLDFOXHAJS-IHWYPQMZSA-N 0 0 174.243 2.683 10 30 AFEERN CCCC=NC(=O)c1ccccc1 256186738 573288262 /nfs/dbraw/zinc/28/82/62/573288262.db2.gz AFLVYHRGVVIMAL-UHFFFAOYSA-N 0 0 175.231 2.698 10 30 AFEERN ON=C1CCC[C@H]1c1ccccc1 393581417 573288498 /nfs/dbraw/zinc/28/84/98/573288498.db2.gz FSWADEJPHOQIPB-JTQLQIEISA-N 0 0 175.231 2.784 10 30 AFEERN CCCC1(C(=O)[C@@H](C#N)C(C)C)CC1 308534255 573290641 /nfs/dbraw/zinc/29/06/41/573290641.db2.gz LXFMCCAZDNKSTG-JTQLQIEISA-N 0 0 193.290 2.932 10 30 AFEERN Cc1ccc([C@@H](C#N)c2cc[nH]c2)o1 259070827 573290695 /nfs/dbraw/zinc/29/06/95/573290695.db2.gz HQVFBZYONLLLHP-JTQLQIEISA-N 0 0 186.214 2.572 10 30 AFEERN C#C[C@](C)(CC)Oc1cccc(C#N)c1 308855556 573290722 /nfs/dbraw/zinc/29/07/22/573290722.db2.gz SWGSZSOCXMFYPL-CYBMUJFWSA-N 0 0 199.253 2.739 10 30 AFEERN Cc1ccc([C@H](C#N)c2cc[nH]c2)o1 259070832 573290909 /nfs/dbraw/zinc/29/09/09/573290909.db2.gz HQVFBZYONLLLHP-SNVBAGLBSA-N 0 0 186.214 2.572 10 30 AFEERN CCc1cc(Cl)c(F)c(C#N)c1 257996529 573293919 /nfs/dbraw/zinc/29/39/19/573293919.db2.gz FYRYPOZHYGJFCA-UHFFFAOYSA-N 0 0 183.613 2.913 10 30 AFEERN CC(C)(C)C/C=C\CC=O 257996848 573294088 /nfs/dbraw/zinc/29/40/88/573294088.db2.gz ADEPTQNOFDKVDS-PLNGDYQASA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@@H](C)[C@@H](C)CC(C)=O 715758722 573294110 /nfs/dbraw/zinc/29/41/10/573294110.db2.gz SFWQNVJIDYLMRU-BDAKNGLRSA-N 0 0 154.253 2.814 10 30 AFEERN C=CC[C@@H](C)[C@H](C)CC(C)=O 715758730 573294217 /nfs/dbraw/zinc/29/42/17/573294217.db2.gz SFWQNVJIDYLMRU-RKDXNWHRSA-N 0 0 154.253 2.814 10 30 AFEERN Cc1cc2ccsc2c(C#N)c1O 306894213 573295518 /nfs/dbraw/zinc/29/55/18/573295518.db2.gz KQZRASJPWJYWMO-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=C[C@H](C)C[C@@H](CO)c1ccccc1 238446132 573295544 /nfs/dbraw/zinc/29/55/44/573295544.db2.gz RGAGNEFCWAOCFT-AAEUAGOBSA-N 0 0 190.286 2.975 10 30 AFEERN CC[C@@H](C)N[C@H](C#N)C1(CC)CCC1 686134478 573296722 /nfs/dbraw/zinc/29/67/22/573296722.db2.gz UILBBNXWJWJWQW-GHMZBOCLSA-N 0 0 194.322 2.847 10 30 AFEERN CCC1([C@@H](C#N)NCC(C)C)CCC1 686134448 573297065 /nfs/dbraw/zinc/29/70/65/573297065.db2.gz TVDNEHYMWXNWFZ-LLVKDONJSA-N 0 0 194.322 2.704 10 30 AFEERN Cc1cccc(-c2[nH]cc(O)c2C#N)c1 259406794 573297682 /nfs/dbraw/zinc/29/76/82/573297682.db2.gz KCJPVEZJEIDUJM-UHFFFAOYSA-N 0 0 198.225 2.567 10 30 AFEERN C[C@H]1O[C@H]1c1cn(C)c2ccccc12 259407716 573297800 /nfs/dbraw/zinc/29/78/00/573297800.db2.gz SMWZRZKZTZOGQH-PRHODGIISA-N 0 0 187.242 2.638 10 30 AFEERN N#Cc1cccc(N[C@@H]2CC[C@@H]3C[C@@H]32)c1 308887503 573297868 /nfs/dbraw/zinc/29/78/68/573297868.db2.gz XEWZEAVZHYLIMO-KGYLQXTDSA-N 0 0 198.269 2.769 10 30 AFEERN N#Cc1cc(O)cc2sc(F)cc12 306903081 573297884 /nfs/dbraw/zinc/29/78/84/573297884.db2.gz IIGUTUBRKXCBQD-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN C=CC[C@@H](C)[C@H](CC)C(C)=O 715759080 573297900 /nfs/dbraw/zinc/29/79/00/573297900.db2.gz UKZZGZUOFPHNDV-SCZZXKLOSA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C)CC(=O)CCCC 118067423 573297680 /nfs/dbraw/zinc/29/76/80/573297680.db2.gz ULZBBCFZLZIWKM-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN C=CC(=O)Cc1cc(F)ccc1Cl 236137144 573305967 /nfs/dbraw/zinc/30/59/67/573305967.db2.gz YDCCZOSIWGFOIC-UHFFFAOYSA-N 0 0 198.624 2.777 10 30 AFEERN CC1(C)O[C@H]1c1ccc2ncoc2c1 259077458 573306293 /nfs/dbraw/zinc/30/62/93/573306293.db2.gz AWTFHYKIIMOCNL-JTQLQIEISA-N 0 0 189.214 2.678 10 30 AFEERN Cc1ccc(C2=CC(=O)CC2)cc1F 223983042 573308260 /nfs/dbraw/zinc/30/82/60/573308260.db2.gz MWHCMIAMTWQLRJ-UHFFFAOYSA-N 0 0 190.217 2.880 10 30 AFEERN CC(C)(S)c1ccc2ncoc2c1 259414653 573310369 /nfs/dbraw/zinc/31/03/69/573310369.db2.gz YKJORUDZDJDNAL-UHFFFAOYSA-N 0 0 193.271 2.993 10 30 AFEERN C=C(C)c1cccc(-c2cc(N)n[nH]2)c1 258255127 573309792 /nfs/dbraw/zinc/30/97/92/573309792.db2.gz XZQDMHZGZVJGRI-UHFFFAOYSA-N 0 0 199.257 2.692 10 30 AFEERN C[C@H](F)Cc1ccccc1CCC=O 258001290 573311779 /nfs/dbraw/zinc/31/17/79/573311779.db2.gz GMDQXBMYDZJYNF-JTQLQIEISA-N 0 0 194.249 2.719 10 30 AFEERN C=CC[C@H](C)C(=O)[C@H](CC)OCC 715770701 573314154 /nfs/dbraw/zinc/31/41/54/573314154.db2.gz CYLWBQJBQHMKSL-UWVGGRQHSA-N 0 0 184.279 2.583 10 30 AFEERN CCc1cc(F)c(F)c(CCC=O)c1 258001215 573314174 /nfs/dbraw/zinc/31/41/74/573314174.db2.gz GKNRNOJRCCGXNS-UHFFFAOYSA-N 0 0 198.212 2.659 10 30 AFEERN Cc1ccc(-c2c[nH]c(C#N)n2)cc1C 259079114 573314216 /nfs/dbraw/zinc/31/42/16/573314216.db2.gz LMEKRWFXKHPZSN-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C[C@@]1(c2ccc3c(c2)CCC3)C[C@@H]1C#N 259079129 573314288 /nfs/dbraw/zinc/31/42/88/573314288.db2.gz ZGOIKJFKSCHZOM-KGLIPLIRSA-N 0 0 197.281 2.976 10 30 AFEERN C[C@]1(c2ccc3c(c2)CCC3)C[C@@H]1C#N 259079140 573314375 /nfs/dbraw/zinc/31/43/75/573314375.db2.gz ZGOIKJFKSCHZOM-ZIAGYGMSSA-N 0 0 197.281 2.976 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@H](CC)OCC 715770703 573314464 /nfs/dbraw/zinc/31/44/64/573314464.db2.gz CYLWBQJBQHMKSL-ZJUUUORDSA-N 0 0 184.279 2.583 10 30 AFEERN O=CC1(c2ccc(F)c(Cl)c2)CC1 117248743 573323609 /nfs/dbraw/zinc/32/36/09/573323609.db2.gz HFRKJXLJVVFQPS-UHFFFAOYSA-N 0 0 198.624 2.710 10 30 AFEERN COc1cc(F)c([C@@H](C)C#N)cc1F 106873938 573323693 /nfs/dbraw/zinc/32/36/93/573323693.db2.gz ZBWLYKHCNYSTFO-LURJTMIESA-N 0 0 197.184 2.600 10 30 AFEERN C[C@@H](CC=O)c1ccc(Cl)c(N)c1 259606525 573323727 /nfs/dbraw/zinc/32/37/27/573323727.db2.gz ZRQBGOPQQSMZND-ZETCQYMHSA-N 0 0 197.665 2.615 10 30 AFEERN C=CCCCn1nc(CC)cc1CC 132633847 573324129 /nfs/dbraw/zinc/32/41/29/573324129.db2.gz HWCRWQFFERBGSA-UHFFFAOYSA-N 0 0 192.306 2.974 10 30 AFEERN N#CCCCc1ccc2c(c1)CCN2 259085709 573327837 /nfs/dbraw/zinc/32/78/37/573327837.db2.gz DBTSIROODJPKFT-UHFFFAOYSA-N 0 0 186.258 2.501 10 30 AFEERN Cc1ccc(C[C@@H](C#N)C(C)C)o1 259082735 573328096 /nfs/dbraw/zinc/32/80/96/573328096.db2.gz ABDZPTXMQUBMBO-JTQLQIEISA-N 0 0 177.247 2.926 10 30 AFEERN Cc1cc(N)c2c(C#N)csc2c1 306919203 573328178 /nfs/dbraw/zinc/32/81/78/573328178.db2.gz JXKLKDFUYQWWQF-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C/N=C(\SC)c1sccc1C 259419395 573331142 /nfs/dbraw/zinc/33/11/42/573331142.db2.gz ZYVXPVBDLMACGE-HJWRWDBZSA-N 0 0 185.317 2.796 10 30 AFEERN CC(C)(C)C[C@@H]1OCCC[C@H]1C#N 86245191 573331143 /nfs/dbraw/zinc/33/11/43/573331143.db2.gz UXJOJXWFJNSCLN-UWVGGRQHSA-N 0 0 181.279 2.741 10 30 AFEERN CC[C@@H](C#N)CN(C)c1cccs1 259087968 573337329 /nfs/dbraw/zinc/33/73/29/573337329.db2.gz VSBFKDVZYXCMOT-VIFPVBQESA-N 0 0 194.303 2.734 10 30 AFEERN C=C(CCO)Cc1ccc(Cl)cc1 258007086 573337497 /nfs/dbraw/zinc/33/74/97/573337497.db2.gz AVMVCUNDERDOCT-UHFFFAOYSA-N 0 0 196.677 2.821 10 30 AFEERN C=CC[C@H](C)C(=O)CC[C@@H]1CCCO1 715774677 573337566 /nfs/dbraw/zinc/33/75/66/573337566.db2.gz LIGWCVLQGDUKNQ-QWRGUYRKSA-N 0 0 196.290 2.727 10 30 AFEERN N#CC1(COCC2CC2)CCCCC1 308560047 573337580 /nfs/dbraw/zinc/33/75/80/573337580.db2.gz VIRGEOFZKLVBNM-UHFFFAOYSA-N 0 0 193.290 2.887 10 30 AFEERN C=CCCSCCCc1cn[nH]c1 308345615 573337620 /nfs/dbraw/zinc/33/76/20/573337620.db2.gz VAPXGGFBTYZYPV-UHFFFAOYSA-N 0 0 196.319 2.652 10 30 AFEERN CCOc1ccc(C)cc1CCC=O 258006277 573337630 /nfs/dbraw/zinc/33/76/30/573337630.db2.gz HBUDDGBGDJYMFO-UHFFFAOYSA-N 0 0 192.258 2.525 10 30 AFEERN Cc1nc2cc([C@H]3O[C@@H]3C)ccc2o1 259422403 573338716 /nfs/dbraw/zinc/33/87/16/573338716.db2.gz UCVVMNHMCBNGFK-KBUNVGBDSA-N 0 0 189.214 2.596 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1CCCC1 308350589 573338911 /nfs/dbraw/zinc/33/89/11/573338911.db2.gz YCLBRHHFSYZOFP-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@H](C=O)C1CCCC1 117402366 573339089 /nfs/dbraw/zinc/33/90/89/573339089.db2.gz VYRQVGWBVKTYKS-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](C)C(=O)CC[C@H]1CCCO1 715774678 573339110 /nfs/dbraw/zinc/33/91/10/573339110.db2.gz LIGWCVLQGDUKNQ-WDEREUQCSA-N 0 0 196.290 2.727 10 30 AFEERN C=C1CC(C)(C)C[C@@H]1C 235563610 573341618 /nfs/dbraw/zinc/34/16/18/573341618.db2.gz RHBQYWBHWJVTDN-QMMMGPOBSA-N 0 0 124.227 2.999 10 30 AFEERN CCC/C=C\C/C=C/CC=O 78016005 573341818 /nfs/dbraw/zinc/34/18/18/573341818.db2.gz GTOMPMHTTNKWHF-KXKKYDSASA-N 0 0 152.237 2.878 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1CCCC1 308350588 573341856 /nfs/dbraw/zinc/34/18/56/573341856.db2.gz YCLBRHHFSYZOFP-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H](C)[C@H](C)CC 308313878 573341877 /nfs/dbraw/zinc/34/18/77/573341877.db2.gz TYSHJMHFSCODNW-UTLUCORTSA-N 0 0 184.279 2.786 10 30 AFEERN C#CCSCCCC1CCOCC1 308352065 573341458 /nfs/dbraw/zinc/34/14/58/573341458.db2.gz YVYNMCNQKNDVAK-UHFFFAOYSA-N 0 0 198.331 2.560 10 30 AFEERN CSc1cccc(CCC=O)c1 258005279 573343376 /nfs/dbraw/zinc/34/33/76/573343376.db2.gz MHAMVGFBFZKEPZ-UHFFFAOYSA-N 0 0 180.272 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H](C)C(C)C 308350538 573343509 /nfs/dbraw/zinc/34/35/09/573343509.db2.gz XZVIQZIXTGKWRW-ZJUUUORDSA-N 0 0 184.279 2.786 10 30 AFEERN C=C(C)[C@]1(O)CC(C)(C)C[C@@H]1C 235561860 573343585 /nfs/dbraw/zinc/34/35/85/573343585.db2.gz KZDXMUZMRCQCAC-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN CC[C@](C)(C#N)CCc1cccnc1 308556110 573344526 /nfs/dbraw/zinc/34/45/26/573344526.db2.gz SIOMJJDLZIFMHP-LBPRGKRZSA-N 0 0 188.274 2.954 10 30 AFEERN COc1ccc2c(c1)CC[C@@H]2CC#N 238356381 573344637 /nfs/dbraw/zinc/34/46/37/573344637.db2.gz AHJIDNVIOGBHTG-SECBINFHSA-N 0 0 187.242 2.639 10 30 AFEERN CCC[C@H](CC#N)C(C)(F)F 258634948 573344719 /nfs/dbraw/zinc/34/47/19/573344719.db2.gz YESXZIRAFFBFHI-SSDOTTSWSA-N 0 0 161.195 2.972 10 30 AFEERN C=C(CCCO)c1cccc(F)c1 238647561 573344747 /nfs/dbraw/zinc/34/47/47/573344747.db2.gz HADYVYPHWGZMRR-UHFFFAOYSA-N 0 0 180.222 2.611 10 30 AFEERN C=C(CC=O)C[C@H]1CCCSC1 258290127 573344940 /nfs/dbraw/zinc/34/49/40/573344940.db2.gz TWJCZXFBWFYYJH-SNVBAGLBSA-N 0 0 184.304 2.665 10 30 AFEERN C[C@H](C=O)c1ccc(F)c(Cl)c1 78100351 573346007 /nfs/dbraw/zinc/34/60/07/573346007.db2.gz JAIXXXBUENZHGE-ZCFIWIBFSA-N 0 0 186.613 2.782 10 30 AFEERN C=C(C)CCC1([C@H](C)O)CC1 235567844 573346073 /nfs/dbraw/zinc/34/60/73/573346073.db2.gz JZGRGTFZJMGXQO-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN C[C@H]1CC(C)(C)C[C@@]12CC(=O)C=CO2 235567829 573346103 /nfs/dbraw/zinc/34/61/03/573346103.db2.gz HLVPMCOMTDWZLJ-CABZTGNLSA-N 0 0 194.274 2.684 10 30 AFEERN CC1=CC(=O)CC(C)(C)[C@H]1C 143686369 573347015 /nfs/dbraw/zinc/34/70/15/573347015.db2.gz JLZFYMOPHWAASQ-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CC(C)(C)C2=C(CC=C2)C1=O 143679493 573347065 /nfs/dbraw/zinc/34/70/65/573347065.db2.gz ICRRVSWBXCVIMJ-UHFFFAOYSA-N 0 0 174.243 2.798 10 30 AFEERN C=C(C)[C@@H]1C[C@@H](CC=O)C1(C)C 214725922 573350484 /nfs/dbraw/zinc/35/04/84/573350484.db2.gz QPUSCGRTONWCCE-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN CCc1cc(C#N)cc(Cl)c1F 258006207 573350491 /nfs/dbraw/zinc/35/04/91/573350491.db2.gz HADFIOUVXSKXKW-UHFFFAOYSA-N 0 0 183.613 2.913 10 30 AFEERN Cc1ccccc1-c1cc(C#N)ccn1 259089687 573350790 /nfs/dbraw/zinc/35/07/90/573350790.db2.gz DKMDXHQZVSXIGA-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN C=CCCC[C@H](O)c1ccncc1C 132830596 573351860 /nfs/dbraw/zinc/35/18/60/573351860.db2.gz IYDHKPKVSYXWHL-LBPRGKRZSA-N 0 0 191.274 2.780 10 30 AFEERN C[C@H](F)Cc1cccc(CCC=O)c1 258006131 573351863 /nfs/dbraw/zinc/35/18/63/573351863.db2.gz GWCARZUTWKUMSN-JTQLQIEISA-N 0 0 194.249 2.719 10 30 AFEERN CC[C@@H](C)ON=Cc1cnc(C)s1 308364806 573353559 /nfs/dbraw/zinc/35/35/59/573353559.db2.gz NRMPOTKGCZZDDF-SSDOTTSWSA-N 0 0 198.291 2.601 10 30 AFEERN C=C(C)C[C@H](O)c1ccncc1CC 132863459 573353701 /nfs/dbraw/zinc/35/37/01/573353701.db2.gz YARFVBHGQZICIM-LBPRGKRZSA-N 0 0 191.274 2.644 10 30 AFEERN CC1(Nc2ccc(F)cc2C#N)CC1 135572470 573354015 /nfs/dbraw/zinc/35/40/15/573354015.db2.gz ZPBFJMTVZOCOHU-UHFFFAOYSA-N 0 0 190.221 2.662 10 30 AFEERN C=CCC(=O)[C@@H](C)C=C(C)C 238367709 573354166 /nfs/dbraw/zinc/35/41/66/573354166.db2.gz ZJFFJGDUKPHFRJ-VIFPVBQESA-N 0 0 152.237 2.734 10 30 AFEERN N#Cc1ccc([O-])c2cc(F)sc12 307088233 573358933 /nfs/dbraw/zinc/35/89/33/573358933.db2.gz MJOXTERIBVJFNR-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN CC(C)[C@@](C)(C#N)c1ccc(C#N)cc1 259427170 573359129 /nfs/dbraw/zinc/35/91/29/573359129.db2.gz DHRLWWBQDCJZAF-CYBMUJFWSA-N 0 0 198.269 2.996 10 30 AFEERN Cc1ccc2scc(C#N)c2c1C#N 307089946 573357055 /nfs/dbraw/zinc/35/70/55/573357055.db2.gz PBJSWSUSDRKZBL-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C=C[C@H](C)C(=O)c1ccsc1 238368822 573359268 /nfs/dbraw/zinc/35/92/68/573359268.db2.gz UQTYZSZWXDLNAP-ZETCQYMHSA-N 0 0 166.245 2.753 10 30 AFEERN CCCCCCCn1cccc1CO 117600643 573359438 /nfs/dbraw/zinc/35/94/38/573359438.db2.gz HTGVPBIIUWQDMN-UHFFFAOYSA-N 0 0 195.306 2.951 10 30 AFEERN COCC[C@H](C)[C@]1(C#N)CC[C@H](C)C1 308562861 573359659 /nfs/dbraw/zinc/35/96/59/573359659.db2.gz XCTZCKPYSGGUTK-SDDRHHMPSA-N 0 0 195.306 2.989 10 30 AFEERN N#CCc1c(F)cc2occc2c1F 214705466 573363972 /nfs/dbraw/zinc/36/39/72/573363972.db2.gz AZVYRXCULUHNPR-UHFFFAOYSA-N 0 0 193.152 2.777 10 30 AFEERN C=C(C)c1ccc(C)c(OC)c1O 238362390 573363994 /nfs/dbraw/zinc/36/39/94/573363994.db2.gz ATUPAQOQGWYLKH-UHFFFAOYSA-N 0 0 178.231 2.742 10 30 AFEERN CC[C@@H](CC#N)N(CC(C)(C)C)OC 308562152 573364179 /nfs/dbraw/zinc/36/41/79/573364179.db2.gz FWVVVVFFFPDMKE-JTQLQIEISA-N 0 0 198.310 2.588 10 30 AFEERN CCCC(CCC)C(=O)CC#N 132936645 573364198 /nfs/dbraw/zinc/36/41/98/573364198.db2.gz CZBGMHGMJVJHAN-UHFFFAOYSA-N 0 0 167.252 2.686 10 30 AFEERN CCc1ccc(CF)c(C#N)c1 238361865 573365381 /nfs/dbraw/zinc/36/53/81/573365381.db2.gz GJNLRGCVDLQECL-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN CC/C=C/CCN(CC#N)C(C)C 308369326 573365756 /nfs/dbraw/zinc/36/57/56/573365756.db2.gz PNFPVZALPIJKFP-AATRIKPKSA-N 0 0 180.295 2.577 10 30 AFEERN CC/C=C\CCN(CC#N)C(C)C 308369327 573365865 /nfs/dbraw/zinc/36/58/65/573365865.db2.gz PNFPVZALPIJKFP-WAYWQWQTSA-N 0 0 180.295 2.577 10 30 AFEERN CCOc1cccc(C(C)(C)C#N)c1 117761625 573365973 /nfs/dbraw/zinc/36/59/73/573365973.db2.gz RGRMWSDVAUZBHY-UHFFFAOYSA-N 0 0 189.258 2.886 10 30 AFEERN CC(C)=CC(=O)Cc1ccccc1F 117873257 573373418 /nfs/dbraw/zinc/37/34/18/573373418.db2.gz PLLYBRQLJFFETN-UHFFFAOYSA-N 0 0 192.233 2.904 10 30 AFEERN CC(C)=CC(=O)[C@H]1CC[C@@H](C)C1 117873613 573373559 /nfs/dbraw/zinc/37/35/59/573373559.db2.gz JNKZDESFACNSCX-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=CC(=O)[C@H]1CC[C@H](C)C1 117873615 573374086 /nfs/dbraw/zinc/37/40/86/573374086.db2.gz JNKZDESFACNSCX-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN COc1cc(C)cc(C#N)c1Cl 258015949 573374180 /nfs/dbraw/zinc/37/41/80/573374180.db2.gz NPDYGRXADGAOMC-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN C=CC[C@H](C)Oc1ccccc1C#N 715785981 573374294 /nfs/dbraw/zinc/37/42/94/573374294.db2.gz GYWLFLORDQZUBI-JTQLQIEISA-N 0 0 187.242 2.902 10 30 AFEERN C[C@@H](S)C(C)(C)c1cccc(N)c1 258014910 573374296 /nfs/dbraw/zinc/37/42/96/573374296.db2.gz HLZZRDUHZNBOBP-MRVPVSSYSA-N 0 0 195.331 2.865 10 30 AFEERN C=CCOC(=O)c1csc(C)c1C 308376370 573374391 /nfs/dbraw/zinc/37/43/91/573374391.db2.gz NYJUOPRRMAZABF-UHFFFAOYSA-N 0 0 196.271 2.708 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CC[C@@H](C)C1 117873618 573374472 /nfs/dbraw/zinc/37/44/72/573374472.db2.gz JNKZDESFACNSCX-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(F)cc([C@H](C)CC=O)c1 258015897 573374533 /nfs/dbraw/zinc/37/45/33/573374533.db2.gz NOJSYQFIIBBBLG-SECBINFHSA-N 0 0 180.222 2.827 10 30 AFEERN CC(C)(C)C1(CC#N)CC1 259610246 573374804 /nfs/dbraw/zinc/37/48/04/573374804.db2.gz DUSWRNVHSGVAHG-UHFFFAOYSA-N 0 0 137.226 2.726 10 30 AFEERN CC(C)=CC(=O)c1cc(C)ccn1 117873418 573374821 /nfs/dbraw/zinc/37/48/21/573374821.db2.gz XOAWJTXHVHPLLR-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C=CC[C@@H](C)C(=O)c1ncccc1C 715785917 573374917 /nfs/dbraw/zinc/37/49/17/573374917.db2.gz GKCQFRIKVPRVJB-SNVBAGLBSA-N 0 0 189.258 2.785 10 30 AFEERN C[C@H](C=O)CCC(C)(C)C 107156914 573378579 /nfs/dbraw/zinc/37/85/79/573378579.db2.gz DQQOESGZHRAMSL-QMMMGPOBSA-N 0 0 142.242 2.648 10 30 AFEERN N#Cc1cccc(Cl)c1CF 258017884 573378580 /nfs/dbraw/zinc/37/85/80/573378580.db2.gz NSUQTFWPRNQXFK-UHFFFAOYSA-N 0 0 169.586 2.681 10 30 AFEERN CC[C@H](C)C(=O)C=C(C)C 117873414 573378692 /nfs/dbraw/zinc/37/86/92/573378692.db2.gz DYURUUVPTPFUIO-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN CC(C)Cc1nc(CS)cs1 259432902 573382841 /nfs/dbraw/zinc/38/28/41/573382841.db2.gz WCNQAJSBSFNTOI-UHFFFAOYSA-N 0 0 187.333 2.771 10 30 AFEERN CCC(=NO)c1cc2ccccc2[nH]1 308371998 573385412 /nfs/dbraw/zinc/38/54/12/573385412.db2.gz SGRUSHXIERDOCF-UHFFFAOYSA-N 0 0 188.230 2.756 10 30 AFEERN CC(C)C[C@H](C#N)C(F)(F)F 258495016 573389446 /nfs/dbraw/zinc/38/94/46/573389446.db2.gz KLGIVOBISGBJJS-ZCFIWIBFSA-N 0 0 165.158 2.735 10 30 AFEERN C[C@H](/C=C/C#Cc1ccccc1)CC=O 215184105 573393751 /nfs/dbraw/zinc/39/37/51/573393751.db2.gz DJZXEBKJEQUPRW-VUDGCMKMSA-N 0 0 198.265 2.819 10 30 AFEERN CC[C@@H](C=O)Cc1cccs1 107162189 573393789 /nfs/dbraw/zinc/39/37/89/573393789.db2.gz KSEMJGFNCYAHNX-MRVPVSSYSA-N 0 0 168.261 2.516 10 30 AFEERN Cc1ccccc1[C@@H](C=O)C1CC1 107164197 573393812 /nfs/dbraw/zinc/39/38/12/573393812.db2.gz LISDYKTUEMRZFE-LBPRGKRZSA-N 0 0 174.243 2.688 10 30 AFEERN O=CCCc1cccc2occc12 258020161 573393817 /nfs/dbraw/zinc/39/38/17/573393817.db2.gz NYYXUSZTYPNLRV-UHFFFAOYSA-N 0 0 174.199 2.564 10 30 AFEERN CC(C)[C@H](C=O)c1ccccc1F 107168540 573393890 /nfs/dbraw/zinc/39/38/90/573393890.db2.gz FUJAKMMAPFZKMW-JTQLQIEISA-N 0 0 180.222 2.764 10 30 AFEERN CC(C)[C@H](C=O)c1cccc(F)c1 107168534 573395331 /nfs/dbraw/zinc/39/53/31/573395331.db2.gz IQESQHGKESHFLV-NSHDSACASA-N 0 0 180.222 2.764 10 30 AFEERN CC(C)[C@](C)(C#N)C[C@H](O)C(C)(C)C 308569860 573395486 /nfs/dbraw/zinc/39/54/86/573395486.db2.gz DFEFYISTOJRPIM-JQWIXIFHSA-N 0 0 197.322 2.969 10 30 AFEERN C[C@@H](C=O)[C@]1(C)C=CCCC1 238379782 573395537 /nfs/dbraw/zinc/39/55/37/573395537.db2.gz RNKLMFWEYPONLN-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN O=CCCc1ccc2occc2c1 107164084 573395563 /nfs/dbraw/zinc/39/55/63/573395563.db2.gz ZZMJKVQMLOMMAF-UHFFFAOYSA-N 0 0 174.199 2.564 10 30 AFEERN CC[C@@H](C=O)c1ccc(C)s1 107162201 573395649 /nfs/dbraw/zinc/39/56/49/573395649.db2.gz FWXAUSPAGDULQA-QMMMGPOBSA-N 0 0 168.261 2.749 10 30 AFEERN CC[C@@H](CC=O)c1cccs1 107162198 573395790 /nfs/dbraw/zinc/39/57/90/573395790.db2.gz ZOQJDMGDOHGZRN-QMMMGPOBSA-N 0 0 168.261 2.831 10 30 AFEERN C=C(C)CC=C(C)C 78244439 573395823 /nfs/dbraw/zinc/39/58/23/573395823.db2.gz JRFKHZNULLDOGQ-UHFFFAOYSA-N 0 0 110.200 2.919 10 30 AFEERN Cc1ccccc1[C@H](C=O)C1CC1 107164200 573395842 /nfs/dbraw/zinc/39/58/42/573395842.db2.gz LISDYKTUEMRZFE-GFCCVEGCSA-N 0 0 174.243 2.688 10 30 AFEERN CC(C)[C@@](C)(C#N)C[C@@H](O)C(C)(C)C 308569862 573395988 /nfs/dbraw/zinc/39/59/88/573395988.db2.gz DFEFYISTOJRPIM-ZYHUDNBSSA-N 0 0 197.322 2.969 10 30 AFEERN CC(C)[C@@H](C=O)c1ccccc1F 107168537 573396029 /nfs/dbraw/zinc/39/60/29/573396029.db2.gz FUJAKMMAPFZKMW-SNVBAGLBSA-N 0 0 180.222 2.764 10 30 AFEERN CCC(CC)C[C@]1(C#N)CCCCN1 308570444 573396088 /nfs/dbraw/zinc/39/60/88/573396088.db2.gz BUEFQPPDOWSWOO-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN CCCCCCCC1=N[C@H](C)C(=O)O1 308570279 573396246 /nfs/dbraw/zinc/39/62/46/573396246.db2.gz DODXHPWOGNSSHK-SECBINFHSA-N 0 0 197.278 2.691 10 30 AFEERN CC[C@H](C#N)CNc1ccc(F)cc1 258642935 573396248 /nfs/dbraw/zinc/39/62/48/573396248.db2.gz LXCJVLUNIFVBCR-SECBINFHSA-N 0 0 192.237 2.787 10 30 AFEERN Cc1cc([C@@H](C)CC#N)ccc1O 238388430 573401255 /nfs/dbraw/zinc/40/12/55/573401255.db2.gz XEEGFQQDROQAOO-QMMMGPOBSA-N 0 0 175.231 2.718 10 30 AFEERN CCc1ccc(CC#N)cc1C 258020258 573401326 /nfs/dbraw/zinc/40/13/26/573401326.db2.gz OAQLJQUQWXBSAP-UHFFFAOYSA-N 0 0 159.232 2.624 10 30 AFEERN C[C@@H](CC=O)c1ccc(F)cc1F 107171937 573401334 /nfs/dbraw/zinc/40/13/34/573401334.db2.gz MDWZGMKBJYOXLO-ZETCQYMHSA-N 0 0 184.185 2.657 10 30 AFEERN C=C1[C@@H](C=O)CCC(C)(C)[C@@H]1C 238388041 573401392 /nfs/dbraw/zinc/40/13/92/573401392.db2.gz IVXXIDDXDLVBJQ-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@H](O)C[C@@]1(C#N)CC[C@H](CC)C1 308572225 573401440 /nfs/dbraw/zinc/40/14/40/573401440.db2.gz FOMICMLBMNTUPX-SDDRHHMPSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H](C=O)c1ccc(F)cc1F 107171945 573401533 /nfs/dbraw/zinc/40/15/33/573401533.db2.gz WVGVACJGIHMZJX-ZETCQYMHSA-N 0 0 184.185 2.657 10 30 AFEERN C=C1CC(C)(C)CC(=O)[C@@H]1C 238387887 573401643 /nfs/dbraw/zinc/40/16/43/573401643.db2.gz LTAKFKZYJXZUQF-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN N#CCc1c(F)ccc2ccoc12 118466205 573402697 /nfs/dbraw/zinc/40/26/97/573402697.db2.gz LNBKJAJZBKGCIQ-UHFFFAOYSA-N 0 0 175.162 2.638 10 30 AFEERN N#CC1([C@H](F)C(F)(F)F)CCCC1 257810547 573402751 /nfs/dbraw/zinc/40/27/51/573402751.db2.gz ALOMYKIUTYXVGS-LURJTMIESA-N 0 0 195.159 2.971 10 30 AFEERN O=C[C@H](c1ccc(F)cc1F)C1CC1 107186326 573402892 /nfs/dbraw/zinc/40/28/92/573402892.db2.gz LQANQIBQHQZLPE-JTQLQIEISA-N 0 0 196.196 2.657 10 30 AFEERN C=C1[C@@H](C)C(C)(C)CC[C@H]1CO 238388142 573402930 /nfs/dbraw/zinc/40/29/30/573402930.db2.gz SQGLNMCVBPSWGH-ZJUUUORDSA-N 0 0 168.280 2.607 10 30 AFEERN O=CC[C@H]1CCc2cc(Cl)ccc21 257810378 573402937 /nfs/dbraw/zinc/40/29/37/573402937.db2.gz AITDWLJPSHICLF-MRVPVSSYSA-N 0 0 194.661 2.959 10 30 AFEERN CC(C)=C1C(=O)CC(C)(C)[C@@H]1C 238387825 573402972 /nfs/dbraw/zinc/40/29/72/573402972.db2.gz HNTYZYBGKKNPOJ-MRVPVSSYSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)CC1=C[C@@H]2C(=O)C[C@]2(C)C1 224096906 573402976 /nfs/dbraw/zinc/40/29/76/573402976.db2.gz SWOWTOAPRPFXQA-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc(Cl)c([C@H]2CO2)cc1F 259440949 573403432 /nfs/dbraw/zinc/40/34/32/573403432.db2.gz VDBCGDVRLUBRTB-SECBINFHSA-N 0 0 186.613 2.859 10 30 AFEERN SCCc1ccc2[nH]ccc2c1 259095471 573403548 /nfs/dbraw/zinc/40/35/48/573403548.db2.gz DYCDXHNPPXGXDK-UHFFFAOYSA-N 0 0 177.272 2.640 10 30 AFEERN C=C[C@]1(C)C(C)=C(C)C(=O)[C@H]1C 238388573 573403558 /nfs/dbraw/zinc/40/35/58/573403558.db2.gz OMHQJPDKZPEVOI-MWLCHTKSSA-N 0 0 164.248 2.734 10 30 AFEERN Cc1cc(Cl)c([C@@H]2CO2)cc1F 259440951 573404079 /nfs/dbraw/zinc/40/40/79/573404079.db2.gz VDBCGDVRLUBRTB-VIFPVBQESA-N 0 0 186.613 2.859 10 30 AFEERN C=C[C@@H](C)Nc1cccc(OC)c1F 690044566 573404128 /nfs/dbraw/zinc/40/41/28/573404128.db2.gz BKVGGCJJVBXJRA-MRVPVSSYSA-N 0 0 195.237 2.821 10 30 AFEERN C/C(=C/Cl)N=C(Cl)Cl 238469069 573404189 /nfs/dbraw/zinc/40/41/89/573404189.db2.gz VDUBYECKFBXBHX-IHWYPQMZSA-N 0 0 172.442 2.920 10 30 AFEERN N#CC1([C@@H](F)C(F)(F)F)CCCC1 257810548 573404254 /nfs/dbraw/zinc/40/42/54/573404254.db2.gz ALOMYKIUTYXVGS-ZCFIWIBFSA-N 0 0 195.159 2.971 10 30 AFEERN C=C[C@@H](C)CC(=O)C[C@H](C)C=C 238389580 573404868 /nfs/dbraw/zinc/40/48/68/573404868.db2.gz CKLGEUHDKSUVHS-NXEZZACHSA-N 0 0 166.264 2.980 10 30 AFEERN C=C[C@H](CC)OC(=O)c1cccs1 308382655 573405021 /nfs/dbraw/zinc/40/50/21/573405021.db2.gz VFLDXQYMHMPFRL-MRVPVSSYSA-N 0 0 196.271 2.870 10 30 AFEERN C#CCCSCc1cc(C)ccn1 308382549 573405053 /nfs/dbraw/zinc/40/50/53/573405053.db2.gz RKSFMOPYRGCBBV-UHFFFAOYSA-N 0 0 191.299 2.647 10 30 AFEERN Cc1nc(C)c(C(C)(C)C#N)s1 259095855 573405088 /nfs/dbraw/zinc/40/50/88/573405088.db2.gz AIFFVOIFYSONSJ-UHFFFAOYSA-N 0 0 180.276 2.561 10 30 AFEERN O=CC[C@@H]1CCc2cc(Cl)ccc21 257810380 573405129 /nfs/dbraw/zinc/40/51/29/573405129.db2.gz AITDWLJPSHICLF-QMMMGPOBSA-N 0 0 194.661 2.959 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@@H](OCC)C(C)C 715795552 573405161 /nfs/dbraw/zinc/40/51/61/573405161.db2.gz MYSSWMXRJVNHHB-PWSUYJOCSA-N 0 0 198.306 2.829 10 30 AFEERN N#Cc1cc(CCc2ccccc2)c[nH]1 259095651 573405183 /nfs/dbraw/zinc/40/51/83/573405183.db2.gz FACOBPMSZVQJLX-UHFFFAOYSA-N 0 0 196.253 2.672 10 30 AFEERN C=C1CCC[C@@H](C[C@@H](C)O)C1 238396344 573405315 /nfs/dbraw/zinc/40/53/15/573405315.db2.gz PVZQROXYHCJJDH-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN O=C[C@H](c1cc(F)ccc1F)C1CC1 107186323 573405537 /nfs/dbraw/zinc/40/55/37/573405537.db2.gz ATCPFGIALNPVTG-JTQLQIEISA-N 0 0 196.196 2.657 10 30 AFEERN N#CCc1ccc(F)c2ccoc12 118478434 573405799 /nfs/dbraw/zinc/40/57/99/573405799.db2.gz BABGSMCLJNBHOD-UHFFFAOYSA-N 0 0 175.162 2.638 10 30 AFEERN Cc1cccc(C(F)(F)C=O)c1C 257810484 573405971 /nfs/dbraw/zinc/40/59/71/573405971.db2.gz ALQONFYDTYBMHY-UHFFFAOYSA-N 0 0 184.185 2.594 10 30 AFEERN C=CC(C)(C)[C@@H](O)c1ccccc1 34060817 573407918 /nfs/dbraw/zinc/40/79/18/573407918.db2.gz AVEKNYDISPNLMR-NSHDSACASA-N 0 0 176.259 2.932 10 30 AFEERN Cc1cc(-c2sccc2C#N)on1 259610828 573407997 /nfs/dbraw/zinc/40/79/97/573407997.db2.gz GRZIGVDQQJYPKF-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN SCc1nc(-c2ccc[nH]2)cs1 259440513 573408028 /nfs/dbraw/zinc/40/80/28/573408028.db2.gz ZTSUGLHJBFQWSA-UHFFFAOYSA-N 0 0 196.300 2.568 10 30 AFEERN O=CCCCC/C=C/C1CC1 39090930 573410101 /nfs/dbraw/zinc/41/01/01/573410101.db2.gz MBGQOBFAPXCXAE-GQCTYLIASA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@H](C)C(=O)[C@@H](OC)C(C)(C)C 715796826 573410105 /nfs/dbraw/zinc/41/01/05/573410105.db2.gz QFVFCOCCPVCPTO-GXSJLCMTSA-N 0 0 198.306 2.829 10 30 AFEERN CC(C)[C@@H](C=O)c1ccc(F)cc1F 107188580 573410109 /nfs/dbraw/zinc/41/01/09/573410109.db2.gz ACYMBVKYXBYZLU-SNVBAGLBSA-N 0 0 198.212 2.903 10 30 AFEERN CCCCCCC[C@H](NN)C1(C)CC1 129888787 573410131 /nfs/dbraw/zinc/41/01/31/573410131.db2.gz OOVKXIRTRBSFLT-NSHDSACASA-N 0 0 198.354 2.979 10 30 AFEERN C#C[C@H](C)[C@@H](O)C#CCCCCCC 308577302 573411971 /nfs/dbraw/zinc/41/19/71/573411971.db2.gz IEKAZRDEXOWESR-STQMWFEESA-N 0 0 192.302 2.590 10 30 AFEERN C#C[C@@H](C)[C@H](O)C#CCCCCCC 308577299 573412003 /nfs/dbraw/zinc/41/20/03/573412003.db2.gz IEKAZRDEXOWESR-CHWSQXEVSA-N 0 0 192.302 2.590 10 30 AFEERN C#C[C@H](C)[C@H](O)C#CCCCCCC 308577301 573412190 /nfs/dbraw/zinc/41/21/90/573412190.db2.gz IEKAZRDEXOWESR-QWHCGFSZSA-N 0 0 192.302 2.590 10 30 AFEERN C[C@@H](C#N)CC1CCCC1 107217463 573412225 /nfs/dbraw/zinc/41/22/25/573412225.db2.gz QKHGEXRJHZNHNC-MRVPVSSYSA-N 0 0 137.226 2.726 10 30 AFEERN CCCCCCC[C@@H](NN)C1(C)CC1 129889001 573412277 /nfs/dbraw/zinc/41/22/77/573412277.db2.gz OOVKXIRTRBSFLT-LLVKDONJSA-N 0 0 198.354 2.979 10 30 AFEERN C=C1CCCC[C@]1(C)CCO 34060494 573414857 /nfs/dbraw/zinc/41/48/57/573414857.db2.gz GDDWRFIVDVTIHA-SNVBAGLBSA-N 0 0 154.253 2.505 10 30 AFEERN C=CCCC[C@@H](O)C(C)(C)OCC 133607321 573414983 /nfs/dbraw/zinc/41/49/83/573414983.db2.gz ZSFSKESJYUVLTM-SNVBAGLBSA-N 0 0 186.295 2.519 10 30 AFEERN CCCCC(N)=NOC[C@@H](C)CC 308387796 573416182 /nfs/dbraw/zinc/41/61/82/573416182.db2.gz XZVNTHMLSADPAS-VIFPVBQESA-N 0 0 186.299 2.512 10 30 AFEERN C=C[C@H](CC)OC(=O)C1=CCCC1 308387867 573416343 /nfs/dbraw/zinc/41/63/43/573416343.db2.gz YBTSDCSKQKDGTD-SNVBAGLBSA-N 0 0 180.247 2.605 10 30 AFEERN CCCCC/C=C/C[C@@H]1O[C@H]1CCO 308580524 573418859 /nfs/dbraw/zinc/41/88/59/573418859.db2.gz JPACMYMSJNKTGW-KZQRZKTQSA-N 0 0 198.306 2.663 10 30 AFEERN C#CC[C@H](C)Cc1ccc(O)cc1 238383650 573418924 /nfs/dbraw/zinc/41/89/24/573418924.db2.gz BEXWKZWBXFHEGE-JTQLQIEISA-N 0 0 174.243 2.594 10 30 AFEERN CC[C@@H](C#N)Nc1cc(C#N)ccc1C 50430172 573418933 /nfs/dbraw/zinc/41/89/33/573418933.db2.gz UHMDPCBTNPTZRI-NSHDSACASA-N 0 0 199.257 2.581 10 30 AFEERN C=CCCC[C@@H](C=C)OCCCCO 238661258 573418955 /nfs/dbraw/zinc/41/89/55/573418955.db2.gz DRCDNHSSQRPMPB-GFCCVEGCSA-N 0 0 198.306 2.686 10 30 AFEERN C=C(C)CCC/C(=C/CO)SC 238399400 573420295 /nfs/dbraw/zinc/42/02/95/573420295.db2.gz QTWNKSCWIDSECN-YFHOEESVSA-N 0 0 186.320 2.972 10 30 AFEERN C=CCCCC(=O)O[C@@H](C)C1CC1 308381196 573423283 /nfs/dbraw/zinc/42/32/83/573423283.db2.gz QNZHMCDFUQAPAT-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C[C@H](CS)Cc1ccccc1 78072547 573423384 /nfs/dbraw/zinc/42/33/84/573423384.db2.gz FGBZKGRXRANBAQ-VIFPVBQESA-N 0 0 166.289 2.795 10 30 AFEERN C#CCC[C@@H](CCCCCCC)NN 133686238 573423464 /nfs/dbraw/zinc/42/34/64/573423464.db2.gz FXNNSPJQNXYDAW-LBPRGKRZSA-N 0 0 196.338 2.592 10 30 AFEERN CCCCCC[C@H](C)[C@@H](C#N)CO 238220610 573436349 /nfs/dbraw/zinc/43/63/49/573436349.db2.gz CCEWVRKQGMDHAD-QWRGUYRKSA-N 0 0 183.295 2.725 10 30 AFEERN O/N=C\c1c[nH]c2cc(Cl)ccc12 100468507 573436507 /nfs/dbraw/zinc/43/65/07/573436507.db2.gz ULFNMNTUPFTZBG-XGICHPGQSA-N 0 0 194.621 2.629 10 30 AFEERN CC/C=C\C[C@@H]1[C@H](O)CC[C@@H]1CC#N 308582615 573437033 /nfs/dbraw/zinc/43/70/33/573437033.db2.gz KPLQLHFYWZDZJB-MITNPNDFSA-N 0 0 193.290 2.643 10 30 AFEERN CC(C)[C@H](C#N)c1ncc2ccccn12 259449104 573437092 /nfs/dbraw/zinc/43/70/92/573437092.db2.gz KHRRIAGONKIPRE-NSHDSACASA-N 0 0 199.257 2.597 10 30 AFEERN C=CC[C@@H]1[C@H](CO)[C@@H]1c1ccccc1 308582594 573437148 /nfs/dbraw/zinc/43/71/48/573437148.db2.gz KOHORKZSVOFKBE-FRRDWIJNSA-N 0 0 188.270 2.585 10 30 AFEERN CC1=C(C)[C@@H](C)C(C)(C)C1=O 238395490 573437258 /nfs/dbraw/zinc/43/72/58/573437258.db2.gz VALOYCFVVPYUOZ-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](C)Cc1cc(C)nn1CC 715805746 573437287 /nfs/dbraw/zinc/43/72/87/573437287.db2.gz FEVZFLQBJWWHOP-JTQLQIEISA-N 0 0 192.306 2.966 10 30 AFEERN CCCCCC/C=C/[C@H](O)[C@@H]1O[C@H]1C 308582642 573440777 /nfs/dbraw/zinc/44/07/77/573440777.db2.gz KREDRDJKWOISHK-NFIZCJQISA-N 0 0 198.306 2.661 10 30 AFEERN CC1=C(C)[C@@H](C)[C@@](C)(Cl)C1=O 238395587 573440344 /nfs/dbraw/zinc/44/03/44/573440344.db2.gz BKTJSGFIYRYJLG-VXNVDRBHSA-N 0 0 172.655 2.539 10 30 AFEERN C=CC[C@@H](C)Cc1cc(C)nn1CC 715805754 573440404 /nfs/dbraw/zinc/44/04/04/573440404.db2.gz FEVZFLQBJWWHOP-SNVBAGLBSA-N 0 0 192.306 2.966 10 30 AFEERN CC(C)(C)c1cc[nH]c2nc(C#N)cc1-2 259451729 573440470 /nfs/dbraw/zinc/44/04/70/573440470.db2.gz WMBOAJHYJFTXML-UHFFFAOYSA-N 0 0 199.257 2.732 10 30 AFEERN C=CC[C@H]1[C@H](c2ccccc2)[C@@H]1CO 308582596 573440606 /nfs/dbraw/zinc/44/06/06/573440606.db2.gz KOHORKZSVOFKBE-UPJWGTAASA-N 0 0 188.270 2.585 10 30 AFEERN CC(F)(F)Cc1cccc(C#N)c1 258021936 573440682 /nfs/dbraw/zinc/44/06/82/573440682.db2.gz ODEQHDOXQSCZOU-UHFFFAOYSA-N 0 0 181.185 2.756 10 30 AFEERN CCc1ccc(C)cc1CC#N 258022010 573440698 /nfs/dbraw/zinc/44/06/98/573440698.db2.gz OECKJAUJCLFRJS-UHFFFAOYSA-N 0 0 159.232 2.624 10 30 AFEERN C=CC[C@@H]1[C@H](CO)[C@H]1c1ccccc1 308582593 573440720 /nfs/dbraw/zinc/44/07/20/573440720.db2.gz KOHORKZSVOFKBE-AGIUHOORSA-N 0 0 188.270 2.585 10 30 AFEERN Cc1cc(C)c([C@@H](O)CS)c(C)c1 259103589 573443114 /nfs/dbraw/zinc/44/31/14/573443114.db2.gz HOLBNFVVJTVOGU-JTQLQIEISA-N 0 0 196.315 2.575 10 30 AFEERN C=CC[C@@H](C)c1cc(OC)ncc1F 715806894 573445849 /nfs/dbraw/zinc/44/58/49/573445849.db2.gz MECMZQBWUQIHEI-MRVPVSSYSA-N 0 0 195.237 2.909 10 30 AFEERN CCCNN=C1CCC[C@H]2C[C@@]12C 308388954 573445977 /nfs/dbraw/zinc/44/59/77/573445977.db2.gz YQRKAGRISSEDIJ-GXSJLCMTSA-N 0 0 180.295 2.552 10 30 AFEERN C[C@@H](C=O)[C@@H]1CCc2c(F)cccc21 257816369 573446009 /nfs/dbraw/zinc/44/60/09/573446009.db2.gz DJSAMNLNPJDKCY-IUCAKERBSA-N 0 0 192.233 2.691 10 30 AFEERN CCCCCC/C=C/[C@@H](O)CF 215547668 573446030 /nfs/dbraw/zinc/44/60/30/573446030.db2.gz BPMDDOVCUQSZED-QROSGCPLSA-N 0 0 174.259 2.843 10 30 AFEERN C[C@H](C#N)C[C@]1(C)CCCC(=O)C1 238401352 573451931 /nfs/dbraw/zinc/45/19/31/573451931.db2.gz KIVHCPJIZLSLAN-ONGXEEELSA-N 0 0 179.263 2.686 10 30 AFEERN Cc1cccc2[nH]c(CC#N)cc12 213973045 571688671 /nfs/dbraw/zinc/68/86/71/571688671.db2.gz GNWSBALZBPSCNC-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN C[C@@H]([C@H](C#N)NCC1CC1)C(C)(C)C 308591469 573454528 /nfs/dbraw/zinc/45/45/28/573454528.db2.gz PCSPJISJSBOCRE-ONGXEEELSA-N 0 0 194.322 2.560 10 30 AFEERN CC(F)(F)[C@H](CC#N)C1CCC1 257817372 573454538 /nfs/dbraw/zinc/45/45/38/573454538.db2.gz DQGNQUXOTNTNQV-MRVPVSSYSA-N 0 0 173.206 2.972 10 30 AFEERN C=C[C@]1(O)CCSc2ccccc21 34592580 573454612 /nfs/dbraw/zinc/45/46/12/573454612.db2.gz FKLXCMOWZRPBBC-NSHDSACASA-N 0 0 192.283 2.556 10 30 AFEERN CC(=O)C1=C(C)C=CNc2ccccc21 215220231 573454681 /nfs/dbraw/zinc/45/46/81/573454681.db2.gz YNRDMUULKQYTEY-UHFFFAOYSA-N 0 0 199.253 2.988 10 30 AFEERN CC[C@@H](C)OCc1cccc(C#N)c1 48264569 571704330 /nfs/dbraw/zinc/70/43/30/571704330.db2.gz CLCXADLQFISVAH-SNVBAGLBSA-N 0 0 189.258 2.873 10 30 AFEERN CC(C)c1cc(C#N)c(Cl)cn1 725375417 571704336 /nfs/dbraw/zinc/70/43/36/571704336.db2.gz DZXRPZVJQDYPBI-UHFFFAOYSA-N 0 0 180.638 2.730 10 30 AFEERN C=C(C)C=C=C1CCCC[C@H]1O 211771428 573454765 /nfs/dbraw/zinc/45/47/65/573454765.db2.gz QSDLGJGOGQJUJV-QHDYGNBISA-N 0 0 164.248 2.579 10 30 AFEERN C=CC(=O)c1cc2cc(F)ccc2o1 236226573 573454834 /nfs/dbraw/zinc/45/48/34/573454834.db2.gz ILALQNPQKKOLKF-UHFFFAOYSA-N 0 0 190.173 2.941 10 30 AFEERN C[C@H](C#N)C[C@]1(C)CCCCC1=O 238401369 573455154 /nfs/dbraw/zinc/45/51/54/573455154.db2.gz ZDGCAOFHOJFHSC-ONGXEEELSA-N 0 0 179.263 2.686 10 30 AFEERN O=CC/C=C\Cc1ccc(F)cc1 258362457 573455158 /nfs/dbraw/zinc/45/51/58/573455158.db2.gz ZJCKJUKPIYLDKC-UPHRSURJSA-N 0 0 178.206 2.513 10 30 AFEERN CCCCC/C=C/[C@@H]1O[C@H]1CCCO 308590663 573455232 /nfs/dbraw/zinc/45/52/32/573455232.db2.gz ONVRWHMBVUTQSS-BIVWETNQSA-N 0 0 198.306 2.663 10 30 AFEERN N#Cc1cccn1[C@H]1CCCC[C@@H]1C#N 159506040 571716929 /nfs/dbraw/zinc/71/69/29/571716929.db2.gz SCPJVMPRUKKIMD-PWSUYJOCSA-N 0 0 199.257 2.615 10 30 AFEERN Cc1ccc(C)c([C@H](C)C#N)c1O 214109221 571716930 /nfs/dbraw/zinc/71/69/30/571716930.db2.gz SIHRNJDTOJUXGS-SECBINFHSA-N 0 0 175.231 2.636 10 30 AFEERN Cc1ccc([C@H](C)N[C@@H](C)CC#N)o1 38097780 571716972 /nfs/dbraw/zinc/71/69/72/571716972.db2.gz WEFYAKZQKNGFNU-WPRPVWTQSA-N 0 0 192.262 2.541 10 30 AFEERN C[C@H]([C@@H](C#N)NCC1CC1)C(C)(C)C 308591468 573455276 /nfs/dbraw/zinc/45/52/76/573455276.db2.gz PCSPJISJSBOCRE-MWLCHTKSSA-N 0 0 194.322 2.560 10 30 AFEERN CCCCCC[C@H](C#N)NC1CCC1 712357390 571745791 /nfs/dbraw/zinc/74/57/91/571745791.db2.gz YYUVXGFELRRAPT-GFCCVEGCSA-N 0 0 194.322 2.991 10 30 AFEERN CCc1nc([C@H](C#N)CC)cs1 259455312 573456817 /nfs/dbraw/zinc/45/68/17/573456817.db2.gz YBJMEYPJMCNKAU-ZETCQYMHSA-N 0 0 180.276 2.723 10 30 AFEERN C=C(C)[C@H]1[C@@H](C(C)=O)CC=C[C@H]1C 238402211 573456938 /nfs/dbraw/zinc/45/69/38/573456938.db2.gz XVVMVSAIDXWHOO-YUSALJHKSA-N 0 0 178.275 2.980 10 30 AFEERN CC(C)C[C@H](F)C(C)(C)C#N 17703805 571763736 /nfs/dbraw/zinc/76/37/36/571763736.db2.gz QCQLZGWVGAXGNC-QMMMGPOBSA-N 0 0 157.232 2.920 10 30 AFEERN C=CC(=O)Cc1cccc(F)c1Cl 236238596 573457044 /nfs/dbraw/zinc/45/70/44/573457044.db2.gz IIFCADFQHTZOFP-UHFFFAOYSA-N 0 0 198.624 2.777 10 30 AFEERN CC(C)(C)C#Cc1ccccc1CO 34599542 573457072 /nfs/dbraw/zinc/45/70/72/573457072.db2.gz DJASWZNAVIUUPQ-UHFFFAOYSA-N 0 0 188.270 2.577 10 30 AFEERN CCCCC/C=C\[C@@H]1O[C@@H]1CCCO 308590665 573457085 /nfs/dbraw/zinc/45/70/85/573457085.db2.gz ONVRWHMBVUTQSS-CNNCQTGTSA-N 0 0 198.306 2.663 10 30 AFEERN C#Cc1cc2sc(C#C)cc2s1 117508697 571909203 /nfs/dbraw/zinc/90/92/03/571909203.db2.gz ABLTYKSRYDPNOE-UHFFFAOYSA-N 0 0 188.276 2.925 10 30 AFEERN C=C(CCCC)C(=O)CC 39212601 571909319 /nfs/dbraw/zinc/90/93/19/571909319.db2.gz BMYPWMYPVLZNRL-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN CC1(C)CC=C[C@]2(C)CC(=O)C=C12 39252328 571916693 /nfs/dbraw/zinc/91/66/93/571916693.db2.gz FVGLBFUGPIGYLB-GFCCVEGCSA-N 0 0 176.259 2.878 10 30 AFEERN C=CC[C@@H](O)C[C@@H](CC)CC(F)F 687901648 571943276 /nfs/dbraw/zinc/94/32/76/571943276.db2.gz IWQVOYGOIFQYIQ-RKDXNWHRSA-N 0 0 192.249 2.995 10 30 AFEERN O=C[C@@H]1CCC[C@@H]1c1ccccc1 39254338 571917078 /nfs/dbraw/zinc/91/70/78/571917078.db2.gz RRDDMVLLDFPZDS-NWDGAFQWSA-N 0 0 174.243 2.769 10 30 AFEERN CC(=O)C1=CCC(C)(C)CC1 39262019 571917084 /nfs/dbraw/zinc/91/70/84/571917084.db2.gz HVMOKNRKQDISKK-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCCC(=O)[C@H](C)CSC 300776239 571919896 /nfs/dbraw/zinc/91/98/96/571919896.db2.gz SPALKNLSACIWFE-MRVPVSSYSA-N 0 0 172.293 2.521 10 30 AFEERN CC(C)=CC(=O)C1=CCC[C@H]1C 139492940 571919912 /nfs/dbraw/zinc/91/99/12/571919912.db2.gz NKDYJPIVZMBXNR-SECBINFHSA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)C[C@@H]1C=C(C)C(=O)CC1 196141677 571922635 /nfs/dbraw/zinc/92/26/35/571922635.db2.gz JMMNQCCHLNCYMW-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C=C(CC)C[C@@H](O)[C@H](C)CSC 300778402 571923277 /nfs/dbraw/zinc/92/32/77/571923277.db2.gz TXHCVIPKBDMMJX-NXEZZACHSA-N 0 0 188.336 2.703 10 30 AFEERN CC[C@H](C#N)C(=O)c1ccc(Cl)o1 233972791 571942834 /nfs/dbraw/zinc/94/28/34/571942834.db2.gz CUCSVJDEWMWSRS-ZCFIWIBFSA-N 0 0 197.621 2.665 10 30 AFEERN CC1=CC(=O)CC[C@H]1C(C)(C)C 142648862 573459485 /nfs/dbraw/zinc/45/94/85/573459485.db2.gz LMCFQFCIKSBVRD-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1C=CC[C@H]2CCCC[C@@]12C=O 238402402 573459496 /nfs/dbraw/zinc/45/94/96/573459496.db2.gz IPHLJGJMGOSXLK-IJLUTSLNSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@]1(CC#N)[C@@H]2CC[C@@]1(C)/C(=N/O)C2 11757585 571953464 /nfs/dbraw/zinc/95/34/64/571953464.db2.gz FGPNWCOUEXKKAK-XUYVEMPYSA-N 0 0 192.262 2.557 10 30 AFEERN C=C(C)C(=O)CCOc1ccccc1 79669283 571953467 /nfs/dbraw/zinc/95/34/67/571953467.db2.gz HLDATSUYUXJHIE-UHFFFAOYSA-N 0 0 190.242 2.601 10 30 AFEERN CCc1c(C)cnc2oc(C#N)cc12 259459620 573460605 /nfs/dbraw/zinc/46/06/05/573460605.db2.gz XNIFKDCYKYYJNI-UHFFFAOYSA-N 0 0 186.214 2.570 10 30 AFEERN COCc1cc(Cl)ccc1CC#N 258033210 573460640 /nfs/dbraw/zinc/46/06/40/573460640.db2.gz JBTFKSCDZZAOQK-UHFFFAOYSA-N 0 0 195.649 2.552 10 30 AFEERN Cc1cccc(C)c1NC[C@H](C)C#N 32008147 571961558 /nfs/dbraw/zinc/96/15/58/571961558.db2.gz FIXITNLCGUIUEJ-SECBINFHSA-N 0 0 188.274 2.875 10 30 AFEERN C=CC[C@H](O)c1ccc(C)cc1OC 234820967 571971197 /nfs/dbraw/zinc/97/11/97/571971197.db2.gz JPLMLEBTQJFZPJ-NSHDSACASA-N 0 0 192.258 2.613 10 30 AFEERN C=C1CCc2cc(F)ccc21 142522022 573465022 /nfs/dbraw/zinc/46/50/22/573465022.db2.gz WVQYXQFBYGBFHV-UHFFFAOYSA-N 0 0 148.180 2.785 10 30 AFEERN O=CC[C@H]1CCc2ccc(Cl)cc21 257815633 573465099 /nfs/dbraw/zinc/46/50/99/573465099.db2.gz DCRGXENMMBMWGS-SECBINFHSA-N 0 0 194.661 2.959 10 30 AFEERN C[Si](C)(C)[C@@H]1CCC=CC1=O 197344183 573465142 /nfs/dbraw/zinc/46/51/42/573465142.db2.gz ZXYKWNPKUVTOGC-SECBINFHSA-N 0 0 168.312 2.614 10 30 AFEERN CC1=C(c2ccccc2)C(=O)CC1 32210929 571972634 /nfs/dbraw/zinc/97/26/34/571972634.db2.gz OKIYRMQBCLCTCE-UHFFFAOYSA-N 0 0 172.227 2.823 10 30 AFEERN CC(=O)C(C=C(C)C)=C(C)C 32214355 571972644 /nfs/dbraw/zinc/97/26/44/571972644.db2.gz JVJXVRAJEJZXPJ-UHFFFAOYSA-N 0 0 152.237 2.878 10 30 AFEERN C=C1CCCC[C@@H]1[C@H](O)/C=C/C 139732985 571972766 /nfs/dbraw/zinc/97/27/66/571972766.db2.gz KVDJMULOBYEHJY-YBGSMITQSA-N 0 0 166.264 2.670 10 30 AFEERN C=C[C@@H](C)OC(=O)Nc1ccccc1 238405174 573464970 /nfs/dbraw/zinc/46/49/70/573464970.db2.gz RCZOSHMNXONILD-SECBINFHSA-N 0 0 191.230 2.810 10 30 AFEERN N#CC[C@@H](F)c1cccc(F)c1 107276478 573467067 /nfs/dbraw/zinc/46/70/67/573467067.db2.gz OFXWUCAHQDLRJF-SECBINFHSA-N 0 0 167.158 2.750 10 30 AFEERN Cc1cccc([C@H](C#N)CC#N)c1 41168309 571977949 /nfs/dbraw/zinc/97/79/49/571977949.db2.gz DZNVSJAEQKUVDP-NSHDSACASA-N 0 0 170.215 2.516 10 30 AFEERN Cc1ccccc1[C@H]1C[C@H]1C#N 41167348 571978023 /nfs/dbraw/zinc/97/80/23/571978023.db2.gz KJLDLHXBVYRXPG-ONGXEEELSA-N 0 0 157.216 2.622 10 30 AFEERN CC[C@H](C)N[C@@H](C#N)[C@@H](C)CC(C)C 300834744 571978140 /nfs/dbraw/zinc/97/81/40/571978140.db2.gz CLIVQHHBDMXKER-SRVKXCTJSA-N 0 0 196.338 2.949 10 30 AFEERN C=CCC(=O)C[C@H]1CCC(F)(F)C1 300837233 571978183 /nfs/dbraw/zinc/97/81/83/571978183.db2.gz IDJJVFHRPAPMFR-MRVPVSSYSA-N 0 0 188.217 2.957 10 30 AFEERN CC(C)C(=O)CCC[C@@H](C)C#N 238189091 571997586 /nfs/dbraw/zinc/99/75/86/571997586.db2.gz OBQHSSAQIGFXFT-SECBINFHSA-N 0 0 167.252 2.541 10 30 AFEERN CC(C)[C@@H](C#N)CC1CCC1 259467505 573477697 /nfs/dbraw/zinc/47/76/97/573477697.db2.gz RMWBIJWHBFEUQH-SNVBAGLBSA-N 0 0 151.253 2.972 10 30 AFEERN C[C@@H](C#N)c1nc2cccc(F)c2o1 107291969 573477709 /nfs/dbraw/zinc/47/77/09/573477709.db2.gz HNYDPMHIKIQMOT-LURJTMIESA-N 0 0 190.177 2.594 10 30 AFEERN C[C@H]1O[C@@H]1c1ccc(F)c(Cl)c1 259105896 573477724 /nfs/dbraw/zinc/47/77/24/573477724.db2.gz CNRVSNHDGYTIMK-ANLVUFKYSA-N 0 0 186.613 2.939 10 30 AFEERN C[C@H](C#N)c1nc2ccc(F)cc2o1 107291998 573477798 /nfs/dbraw/zinc/47/77/98/573477798.db2.gz OSRMEXVTHBDORC-ZCFIWIBFSA-N 0 0 190.177 2.594 10 30 AFEERN CC[C@H](C)ON=C(C)c1nccs1 308392124 573477822 /nfs/dbraw/zinc/47/78/22/573477822.db2.gz BNRMMMBEMSXDQO-ZETCQYMHSA-N 0 0 198.291 2.682 10 30 AFEERN C=CCC[C@H](O)[C@H]1CCC[C@H]1C 300211633 571988570 /nfs/dbraw/zinc/98/85/70/571988570.db2.gz RHMVDNZFWRKETP-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)[C@H](C)CC(C)C 300855540 571989178 /nfs/dbraw/zinc/98/91/78/571989178.db2.gz FWEHWBYSGDUSAD-GRYCIOLGSA-N 0 0 197.322 2.969 10 30 AFEERN CC(C)Cc1ccnc(Cl)c1C#N 219465885 571989222 /nfs/dbraw/zinc/98/92/22/571989222.db2.gz UENDTYLIWHUPFN-UHFFFAOYSA-N 0 0 194.665 2.805 10 30 AFEERN CC(C)=C1CC[C@H](C)[C@@H](C=O)C1 139904813 571991260 /nfs/dbraw/zinc/99/12/60/571991260.db2.gz CPLXOQWABJBMMH-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN CCCCSc1cccc(C#N)n1 81622411 571991289 /nfs/dbraw/zinc/99/12/89/571991289.db2.gz ICEXOAATARZEJQ-UHFFFAOYSA-N 0 0 192.287 2.845 10 30 AFEERN CC1=C2C(=O)CC[C@@H]2C(C)(C)C1 139945115 571991294 /nfs/dbraw/zinc/99/12/94/571991294.db2.gz IFCHOARDENHBIP-QMMMGPOBSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1CC[C@]2(C)CCC=C2C1=O 238413708 573477893 /nfs/dbraw/zinc/47/78/93/573477893.db2.gz DJAXJCYATXYVIE-KCJUWKMLSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H]1C[C@@H]1C(=O)CCCCC 238251236 572002673 /nfs/dbraw/zinc/00/26/73/572002673.db2.gz GCNBXIOWQNCARN-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cnc2c(c1)CCC[C@]2(C)C#N 39212853 572000310 /nfs/dbraw/zinc/00/03/10/572000310.db2.gz RAQHNEYZSLCTLR-GFCCVEGCSA-N 0 0 186.258 2.508 10 30 AFEERN C/C=C\C(=O)CCOc1ccccc1 687697322 572000617 /nfs/dbraw/zinc/00/06/17/572000617.db2.gz DHMCCMPOAJMBHP-KXFIGUGUSA-N 0 0 190.242 2.601 10 30 AFEERN C=C(CC)C[C@H](NN)[C@@H]1CCC[C@H]1C 300236252 572015372 /nfs/dbraw/zinc/01/53/72/572015372.db2.gz UKEQFMDAGJOUSH-UTUOFQBUSA-N 0 0 196.338 2.611 10 30 AFEERN N#CC[C@H](C(F)F)C1CCCC1 257819443 573481520 /nfs/dbraw/zinc/48/15/20/573481520.db2.gz FGPOKXWMSYVMQW-QMMMGPOBSA-N 0 0 173.206 2.972 10 30 AFEERN C=C(C)/C=C\[C@H](O)C[C@@H](C)CCC#N 308596500 573481546 /nfs/dbraw/zinc/48/15/46/573481546.db2.gz SDEFWGZZBYUYTR-MVSYMCDOSA-N 0 0 193.290 2.810 10 30 AFEERN C=CCCCCC[C@H](NN)[C@@H]1C[C@H]1C 300226264 572006640 /nfs/dbraw/zinc/00/66/40/572006640.db2.gz UHUXLECHWXEYHR-UTUOFQBUSA-N 0 0 196.338 2.611 10 30 AFEERN C=CC[C@H](C)C(=O)[C@@H](C)CC=C 114185704 572006651 /nfs/dbraw/zinc/00/66/51/572006651.db2.gz UIBYEFXZWRLTDD-UWVGGRQHSA-N 0 0 166.264 2.980 10 30 AFEERN COC[C@H](C)C(=O)C1=CCCCCC1 687698297 572006657 /nfs/dbraw/zinc/00/66/57/572006657.db2.gz UYLIAIDMHGLWIA-JTQLQIEISA-N 0 0 196.290 2.729 10 30 AFEERN C=CC[C@H](C)C(=O)[C@H](C)CC=C 114185705 572008579 /nfs/dbraw/zinc/00/85/79/572008579.db2.gz UIBYEFXZWRLTDD-AOOOYVTPSA-N 0 0 166.264 2.980 10 30 AFEERN C=C(C)CC[C@H](NN)[C@@H]1CCC[C@H]1C 300237586 572018427 /nfs/dbraw/zinc/01/84/27/572018427.db2.gz ZEKGAIRNOPKSFR-UTUOFQBUSA-N 0 0 196.338 2.611 10 30 AFEERN C=C(C)CC[C@H](NN)[C@H]1CCC[C@H]1C 300237587 572018471 /nfs/dbraw/zinc/01/84/71/572018471.db2.gz ZEKGAIRNOPKSFR-WOPDTQHZSA-N 0 0 196.338 2.611 10 30 AFEERN CC1=CC[C@H](C)C(C)(C)[C@H]1C=O 14764696 572018498 /nfs/dbraw/zinc/01/84/98/572018498.db2.gz BTFBPMQRSSBITM-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)C[C@H](C)CC[C@H]1CO1 300888950 572023805 /nfs/dbraw/zinc/02/38/05/572023805.db2.gz JQVOYOVPEQTWCY-ZJUUUORDSA-N 0 0 156.269 2.848 10 30 AFEERN Cc1ccc(CCCC=O)c(C)c1 71425395 572024214 /nfs/dbraw/zinc/02/42/14/572024214.db2.gz OJVFTAQYVJCOLS-UHFFFAOYSA-N 0 0 176.259 2.825 10 30 AFEERN C=CCC[C@H]([NH3+])c1sc(C)nc1C 235831261 572024575 /nfs/dbraw/zinc/02/45/75/572024575.db2.gz VQLJYVRLYQYMJR-VIFPVBQESA-N 0 0 196.319 2.726 10 30 AFEERN C=C[C@@H]1CC[C@@H]2C=CC(=O)C[C@@]12C 238416663 573490555 /nfs/dbraw/zinc/49/05/55/573490555.db2.gz SZGMDCCGLHCDRD-FOGDFJRCSA-N 0 0 176.259 2.734 10 30 AFEERN CCC1([C@@H](C=O)OC(C)C)CCC1 686131571 573490637 /nfs/dbraw/zinc/49/06/37/573490637.db2.gz SKLUDECXBJEIHP-SNVBAGLBSA-N 0 0 184.279 2.559 10 30 AFEERN CC(C)(C#N)CNc1cccc(C#N)c1 258691179 573492299 /nfs/dbraw/zinc/49/22/99/573492299.db2.gz QHEYBHRGOCQBBX-UHFFFAOYSA-N 0 0 199.257 2.520 10 30 AFEERN C[C@@H](CC=O)c1cccc(Cl)c1O 258040954 573492420 /nfs/dbraw/zinc/49/24/20/573492420.db2.gz GCNQMJANBOLMLF-ZETCQYMHSA-N 0 0 198.649 2.738 10 30 AFEERN CCC/C=C/CCCC=O 33840685 572036586 /nfs/dbraw/zinc/03/65/86/572036586.db2.gz OIYLDISFBUJSNS-SNAWJCMRSA-N 0 0 140.226 2.712 10 30 AFEERN CC(C)C[C@@H](C)[C@@H](C#N)NC(C)C 300910251 572041435 /nfs/dbraw/zinc/04/14/35/572041435.db2.gz LTQQFFZYYIELBH-GHMZBOCLSA-N 0 0 182.311 2.559 10 30 AFEERN C[C@@H](C#N)N(C)CCCC(C)(C)C 300914104 572041516 /nfs/dbraw/zinc/04/15/16/572041516.db2.gz SKUJNYGKHUWLKW-JTQLQIEISA-N 0 0 182.311 2.657 10 30 AFEERN C=C(C)C/C=C/[C@H](C)[C@@H](C)O 238408468 573493003 /nfs/dbraw/zinc/49/30/03/573493003.db2.gz HTRYDBXKUCVCLX-IUUOVRRDSA-N 0 0 154.253 2.526 10 30 AFEERN C=CCCOc1ccc(F)cc1C#N 82522831 572045120 /nfs/dbraw/zinc/04/51/20/572045120.db2.gz MAVXNFVOFKXIPV-UHFFFAOYSA-N 0 0 191.205 2.652 10 30 AFEERN CC(C)[C@H]1CC[C@@]2(C)O[C@H]2C1 33951487 572045131 /nfs/dbraw/zinc/04/51/31/572045131.db2.gz WSHVHJSDSVPPIV-LPEHRKFASA-N 0 0 154.253 2.600 10 30 AFEERN C=CCC[C@](C)(O)CCCCOC 686324461 572055132 /nfs/dbraw/zinc/05/51/32/572055132.db2.gz IDFGMGMKPFXNAQ-NSHDSACASA-N 0 0 186.295 2.520 10 30 AFEERN Cc1ccc(C)c(OC(C)C)c1C#N 71457274 572055738 /nfs/dbraw/zinc/05/57/38/572055738.db2.gz DAGRCRKHLKRGSN-UHFFFAOYSA-N 0 0 189.258 2.962 10 30 AFEERN C=C(C)[C@H]1CC[C@]1(C)CC=O 34499989 572089559 /nfs/dbraw/zinc/08/95/59/572089559.db2.gz IEPKFGTVUCUSFU-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@H]1CC[C@@]1(C)CC=O 34499980 572089588 /nfs/dbraw/zinc/08/95/88/572089588.db2.gz IEPKFGTVUCUSFU-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN CCCCCCCCCNN(C)C 214907269 572089633 /nfs/dbraw/zinc/08/96/33/572089633.db2.gz KCULIBOQBGGNGP-UHFFFAOYSA-N 0 0 186.343 2.803 10 30 AFEERN C#C[C@H](C)C/C=C\[C@H](C)[C@H](O)CC 214904080 573493585 /nfs/dbraw/zinc/49/35/85/573493585.db2.gz HMSPRUCOZLMXGE-NVAFZFAQSA-N 0 0 180.291 2.609 10 30 AFEERN Cc1ccc(O)c([C@H](C)CC=O)c1C 258042370 573493599 /nfs/dbraw/zinc/49/35/99/573493599.db2.gz JUCLRAHRLYQAMO-SECBINFHSA-N 0 0 192.258 2.702 10 30 AFEERN N#Cc1ccccc1Oc1cccnc1 36805098 572071843 /nfs/dbraw/zinc/07/18/43/572071843.db2.gz LDRLETPTHQIBJE-UHFFFAOYSA-N 0 0 196.209 2.746 10 30 AFEERN CCc1cccc(C)c1NCS 258691190 573493663 /nfs/dbraw/zinc/49/36/63/573493663.db2.gz QHNSYUXLZRPIMP-UHFFFAOYSA-N 0 0 181.304 2.857 10 30 AFEERN C=C1[C@H](C)CC(=O)CC1(C)C 238408136 573493695 /nfs/dbraw/zinc/49/36/95/573493695.db2.gz XGGYKFSYKKNTFK-SSDOTTSWSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@@H](C#N)Cc1cccc(OC)c1 259474369 573493697 /nfs/dbraw/zinc/49/36/97/573493697.db2.gz RZFVAEWSPZXZNV-SNVBAGLBSA-N 0 0 189.258 2.787 10 30 AFEERN CC1=CC[C@]2(C)C[C@H]1C(=O)C=C2C 34413740 572078366 /nfs/dbraw/zinc/07/83/66/572078366.db2.gz FSAUBGQMYJTTFC-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN O=C1C=C(Cc2ccoc2)CCC1 34413710 572078420 /nfs/dbraw/zinc/07/84/20/572078420.db2.gz KCCZDBCZYRYKSE-UHFFFAOYSA-N 0 0 176.215 2.502 10 30 AFEERN CCc1ccc(NCS)cc1 258695237 573493754 /nfs/dbraw/zinc/49/37/54/573493754.db2.gz QTGXQWVEPNMRLD-UHFFFAOYSA-N 0 0 167.277 2.548 10 30 AFEERN CC(C)=CC[C@H](C)[C@@H](C)C=O 238408628 573493882 /nfs/dbraw/zinc/49/38/82/573493882.db2.gz YIOQTRCKKMMWKG-UWVGGRQHSA-N 0 0 154.253 2.814 10 30 AFEERN C=CC(C)(C)[C@@H](CC)C(C)=O 17581249 572111267 /nfs/dbraw/zinc/11/12/67/572111267.db2.gz WAQDRHSXQVBXMT-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C)C[C@H](O)[C@@H]1CCC[C@H]1C 300210124 572111728 /nfs/dbraw/zinc/11/17/28/572111728.db2.gz JEDQIAQXYOSBFT-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN CCCCC[C@@H]1CCC(C=O)=C1O 116451805 572111802 /nfs/dbraw/zinc/11/18/02/572111802.db2.gz NOVSDOFTPFDDPQ-URLRMUCDSA-N 0 0 182.263 2.988 10 30 AFEERN CC[C@@H](C#N)CNc1cccc(C#N)c1 258693686 573495185 /nfs/dbraw/zinc/49/51/85/573495185.db2.gz QNZQMGDFSDFFHF-JTQLQIEISA-N 0 0 199.257 2.520 10 30 AFEERN CSc1ccc([C@@H](C)C=O)cc1 238420661 573495196 /nfs/dbraw/zinc/49/51/96/573495196.db2.gz KKSNRLAEVQCFQS-QMMMGPOBSA-N 0 0 180.272 2.711 10 30 AFEERN COc1c(F)cc(Cl)c(C)c1C#N 258043819 573495207 /nfs/dbraw/zinc/49/52/07/573495207.db2.gz GHIHJBQZJQMMAT-UHFFFAOYSA-N 0 0 199.612 2.668 10 30 AFEERN CC(C)COc1ccc([C@@H]2CO2)cc1 71506105 572161225 /nfs/dbraw/zinc/16/12/25/572161225.db2.gz WZUWHFUPMBJSEC-LBPRGKRZSA-N 0 0 192.258 2.793 10 30 AFEERN CCC(CC)n1ccc(CCC#N)n1 82876890 572161339 /nfs/dbraw/zinc/16/13/39/572161339.db2.gz RKSPRRIVJFLRGR-UHFFFAOYSA-N 0 0 191.278 2.700 10 30 AFEERN C#CCCC[C@@H](O)[C@@H](C)CCCC 300962728 572181352 /nfs/dbraw/zinc/18/13/52/572181352.db2.gz QTDKMZSSAQCORS-NWDGAFQWSA-N 0 0 182.307 2.977 10 30 AFEERN C#CCCC[C@H](O)[C@@H](C)CCCC 300962729 572181389 /nfs/dbraw/zinc/18/13/89/572181389.db2.gz QTDKMZSSAQCORS-RYUDHWBXSA-N 0 0 182.307 2.977 10 30 AFEERN C=CCCOc1cccnc1Cl 83119362 572187288 /nfs/dbraw/zinc/18/72/88/572187288.db2.gz GZYVGKREWGKVFN-UHFFFAOYSA-N 0 0 183.638 2.690 10 30 AFEERN Cc1cc(Cl)ccc1OCC#N 19487989 572187336 /nfs/dbraw/zinc/18/73/36/572187336.db2.gz WTVIMCPPMFOGHF-UHFFFAOYSA-N 0 0 181.622 2.551 10 30 AFEERN C=CCCC[C@H]1CC[C@H](O)[C@@H]1C 83036270 572187424 /nfs/dbraw/zinc/18/74/24/572187424.db2.gz DGNOOHDTINJPCF-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN CCC1=C(C)C(=O)[C@H](C)CC1 35904545 572187445 /nfs/dbraw/zinc/18/74/45/572187445.db2.gz XXILGRGDNMUPHQ-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCN[C@@]1(C#N)CCC[C@H](C)CC1 83428387 573498198 /nfs/dbraw/zinc/49/81/98/573498198.db2.gz ARXMALLLWGZPIY-RYUDHWBXSA-N 0 0 192.306 2.625 10 30 AFEERN C=CCOC(=O)C(F)=C1CCCC1 308393644 573498228 /nfs/dbraw/zinc/49/82/28/573498228.db2.gz BYAZIHLSKTTXDQ-UHFFFAOYSA-N 0 0 184.210 2.513 10 30 AFEERN CC(C)N[C@]1(C#N)CCC[C@@H](C)CC1 83428316 573498250 /nfs/dbraw/zinc/49/82/50/573498250.db2.gz VTCQRRPOCMVGFL-VXGBXAGGSA-N 0 0 194.322 2.847 10 30 AFEERN Cc1cc([C@H](C)C#N)ccc1F 19728863 572196746 /nfs/dbraw/zinc/19/67/46/572196746.db2.gz YBNNFVAKUCXQAU-MRVPVSSYSA-N 0 0 163.195 2.761 10 30 AFEERN C=CCN[C@]1(C#N)CCC[C@H](C)CC1 83428385 573499296 /nfs/dbraw/zinc/49/92/96/573499296.db2.gz ARXMALLLWGZPIY-NWDGAFQWSA-N 0 0 192.306 2.625 10 30 AFEERN C[C@@H](C=O)CCCC[C@@H]1CCCO1 83531588 572233491 /nfs/dbraw/zinc/23/34/91/572233491.db2.gz WGIPKKDFSZBKCU-GHMZBOCLSA-N 0 0 184.279 2.561 10 30 AFEERN C=C(C)[Si](C)(C)[C@@H](C)CC=O 196610913 572343298 /nfs/dbraw/zinc/34/32/98/572343298.db2.gz VSOSLRGFHJSCEQ-VIFPVBQESA-N 0 0 170.328 2.789 10 30 AFEERN C=C(C)[Si](C)(C)[C@H](C)CC=O 196610923 572343300 /nfs/dbraw/zinc/34/33/00/572343300.db2.gz VSOSLRGFHJSCEQ-SECBINFHSA-N 0 0 170.328 2.789 10 30 AFEERN O=CCCC#CC1CCCCC1 211855922 573499392 /nfs/dbraw/zinc/49/93/92/573499392.db2.gz VZFKIYJGNAOTBA-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN N#Cc1cc2c3c(cnc2o1)CCCC3 259478429 573499401 /nfs/dbraw/zinc/49/94/01/573499401.db2.gz ZWERMBSJHGXYPK-UHFFFAOYSA-N 0 0 198.225 2.578 10 30 AFEERN CCC[C@@H]1CCC[C@@](N)(C#N)CC1 83437744 573506041 /nfs/dbraw/zinc/50/60/41/573506041.db2.gz RVIPLSPBOWNEQD-MNOVXSKESA-N 0 0 180.295 2.588 10 30 AFEERN CC[C@@H]1CCC[C@](C#N)(N(C)C)CC1 83436606 573506055 /nfs/dbraw/zinc/50/60/55/573506055.db2.gz QSGCSVJSDCFANV-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN C/C(=C/C(C)C)C(=O)C[C@H](O)C(C)C 238217372 572346324 /nfs/dbraw/zinc/34/63/24/572346324.db2.gz KAPHKKQNTXIYIJ-YAEJEKNGSA-N 0 0 198.306 2.565 10 30 AFEERN CCCCC#C[C@@H](O)C(C)(C)C 196618940 572346848 /nfs/dbraw/zinc/34/68/48/572346848.db2.gz SDKKYLSROCBCSF-SNVBAGLBSA-N 0 0 168.280 2.587 10 30 AFEERN CCC[C@@H]1CCC[C@@](C#N)(NC)CC1 83437750 573506231 /nfs/dbraw/zinc/50/62/31/573506231.db2.gz BSFMHMAZWYLCBC-VXGBXAGGSA-N 0 0 194.322 2.849 10 30 AFEERN CSCSc1ccc(C#N)cc1 307156663 573506241 /nfs/dbraw/zinc/50/62/41/573506241.db2.gz GHQPFVOACBIFMX-UHFFFAOYSA-N 0 0 195.312 2.971 10 30 AFEERN CC(C)[C@H]([C@@H](C)C=O)n1cccc1 238222966 572379628 /nfs/dbraw/zinc/37/96/28/572379628.db2.gz FHYNEJKEYBYIPT-WDEREUQCSA-N 0 0 179.263 2.520 10 30 AFEERN [N-]=[N+]=Nc1cnc2ccccc2c1C=O 238676965 572379693 /nfs/dbraw/zinc/37/96/93/572379693.db2.gz LOQTYKITDBCZIJ-UHFFFAOYSA-N 0 0 198.185 2.989 10 30 AFEERN CCc1ccc2c(ccn2CC#N)c1 75233150 573506278 /nfs/dbraw/zinc/50/62/78/573506278.db2.gz KLMXDADNEBOHDI-UHFFFAOYSA-N 0 0 184.242 2.727 10 30 AFEERN CCN[C@@]1(C#N)CCCC(C)(C)CC1 83436065 573506282 /nfs/dbraw/zinc/50/62/82/573506282.db2.gz KSHQWFFUWDSHGY-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN C=C(OCCC)[C@H](O)/C(=C/C)CC 238226652 572387303 /nfs/dbraw/zinc/38/73/03/572387303.db2.gz BWBICNNJZKHSRD-RUYJGKKWSA-N 0 0 184.279 2.644 10 30 AFEERN CN(C)[C@@]1(C#N)CCCC(C)(C)CC1 83436603 573506446 /nfs/dbraw/zinc/50/64/46/573506446.db2.gz ICYFKQDWGANXKC-LBPRGKRZSA-N 0 0 194.322 2.801 10 30 AFEERN COc1cccc([C@H](C)F)c1C#N 258050437 573506504 /nfs/dbraw/zinc/50/65/04/573506504.db2.gz REZFDSLWMJURPG-ZETCQYMHSA-N 0 0 179.194 2.597 10 30 AFEERN CSc1ccccc1CCC=O 258050341 573506544 /nfs/dbraw/zinc/50/65/44/573506544.db2.gz REEMWKRCAGSVBG-UHFFFAOYSA-N 0 0 180.272 2.540 10 30 AFEERN C=CC(=C)[C@@H](CO)c1ccccc1 238700347 572389131 /nfs/dbraw/zinc/38/91/31/572389131.db2.gz FRRGAFXLOVLUGY-GFCCVEGCSA-N 0 0 174.243 2.505 10 30 AFEERN C=CCOc1cc(C)c(N)cc1Cl 307126809 572396174 /nfs/dbraw/zinc/39/61/74/572396174.db2.gz MKBLMLKAMILOSA-UHFFFAOYSA-N 0 0 197.665 2.795 10 30 AFEERN CC[C@@H]1CCC[C@]2(CC1)CO2 83436939 573507220 /nfs/dbraw/zinc/50/72/20/573507220.db2.gz PYHOIBGPHRPZFK-ZJUUUORDSA-N 0 0 154.253 2.746 10 30 AFEERN CC(C)C[C@H]1SCC[C@H]1C#N 259479468 573507285 /nfs/dbraw/zinc/50/72/85/573507285.db2.gz ADZJXKJWUCFIPC-DTWKUNHWSA-N 0 0 169.293 2.678 10 30 AFEERN CCC(C)(C)c1ccc(O)c(C#N)c1 258050346 573507293 /nfs/dbraw/zinc/50/72/93/573507293.db2.gz KNQPJKKGIGBXJG-UHFFFAOYSA-N 0 0 189.258 2.951 10 30 AFEERN CCCC(CC)=NNC[C@H]1C[C@@H]1C 308397195 573511975 /nfs/dbraw/zinc/51/19/75/573511975.db2.gz FBKLRXAQZQQTCD-VHSXEESVSA-N 0 0 182.311 2.798 10 30 AFEERN C=C1CC[C@]2(C)[C@H](C)CCC(=O)[C@H]12 307349447 572431616 /nfs/dbraw/zinc/43/16/16/572431616.db2.gz ONJIMYDIHREVHM-ADEWGFFLSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H]1CCC[C@H]2CC=CC(=O)[C@H]21 238422385 573512196 /nfs/dbraw/zinc/51/21/96/573512196.db2.gz PWORDZGZWJNCND-YWVKMMECSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)(C)[C@@H]1CCC[C@](N)(C#N)CC1 83438632 573512424 /nfs/dbraw/zinc/51/24/24/573512424.db2.gz BDYACMBQZCTEAA-ZYHUDNBSSA-N 0 0 194.322 2.834 10 30 AFEERN C=CCCC[C@H](C)CC=O 238422863 573512516 /nfs/dbraw/zinc/51/25/16/573512516.db2.gz WJEYIRUETSCEBF-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN CC1=C(C)C(=O)C(C)(C)[C@H](C)C1 238421948 573512547 /nfs/dbraw/zinc/51/25/47/573512547.db2.gz BYRRSAATMBSZRW-MRVPVSSYSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)[C@H](C)OC[C@H](C)CS 87471282 572504072 /nfs/dbraw/zinc/50/40/72/572504072.db2.gz WSTILMZPWKGFNB-IUCAKERBSA-N 0 0 176.325 2.613 10 30 AFEERN CC(C)[C@H](C)OCC1(CS)CC1 87471296 572504174 /nfs/dbraw/zinc/50/41/74/572504174.db2.gz HUXKMCOKWBEOKT-VIFPVBQESA-N 0 0 188.336 2.758 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H](C)CCC 308042345 572504359 /nfs/dbraw/zinc/50/43/59/572504359.db2.gz NXCOWUNFEPHSPN-BDAKNGLRSA-N 0 0 170.252 2.540 10 30 AFEERN CC#CCSC/C(C)=C/Cl 307461160 572504655 /nfs/dbraw/zinc/50/46/55/572504655.db2.gz HOZQELJFFLUALI-SOFGYWHQSA-N 0 0 174.696 2.886 10 30 AFEERN Cc1ccc(C#Cc2cccnc2)s1 307490196 572504665 /nfs/dbraw/zinc/50/46/65/572504665.db2.gz AIPNJUNCIMORMD-UHFFFAOYSA-N 0 0 199.278 2.851 10 30 AFEERN C=C(C)[C@@]1(C)CC[C@@H](C)C[C@@H]1O 307443643 572504705 /nfs/dbraw/zinc/50/47/05/572504705.db2.gz OHPZPCOUSKOSJV-OUAUKWLOSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@@H]1CCC(=O)[C@H]2CCC[C@H]21 307410465 572504736 /nfs/dbraw/zinc/50/47/36/572504736.db2.gz GRFVJVRKXIZBLO-DCAQKATOSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H]1CCC[C@H]2CC=CC(=O)[C@]21C 238422401 573512617 /nfs/dbraw/zinc/51/26/17/573512617.db2.gz GPGGGQMPKVWMDM-SCVCMEIPSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCN[C@@H](C#N)CC1CCCCC1 87473615 572505450 /nfs/dbraw/zinc/50/54/50/572505450.db2.gz WSQLAWBWWVHRRO-GFCCVEGCSA-N 0 0 192.306 2.625 10 30 AFEERN C=C[C@]1(C)C[C@H](C)C[C@H](C)[C@@H]1CO 307424234 572532715 /nfs/dbraw/zinc/53/27/15/572532715.db2.gz NUFOKGQWRJKDLA-NOOOWODRSA-N 0 0 182.307 2.853 10 30 AFEERN CC[C@H]1CCC=CC[C@@](C=O)(CC)O1 238289983 572532721 /nfs/dbraw/zinc/53/27/21/572532721.db2.gz ZPPJIWPJDJOGCL-NWDGAFQWSA-N 0 0 196.290 2.869 10 30 AFEERN CCC(=O)C[C@@H](CC)C(C)(C)C=O 238293353 572532729 /nfs/dbraw/zinc/53/27/29/572532729.db2.gz FXHJZZRSXRPOIM-SECBINFHSA-N 0 0 184.279 2.607 10 30 AFEERN C=C(C)CCNc1cc(C)ccc1N 307475620 572532761 /nfs/dbraw/zinc/53/27/61/572532761.db2.gz BMOMEFCRZUMVNY-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C=C(C)[C@@H](CC)[C@@H](O)C(C)C 196641580 572532785 /nfs/dbraw/zinc/53/27/85/572532785.db2.gz ZMVOYPIHQSMEDJ-ZJUUUORDSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@H](O)C[Si](C)(CC)CC 238273733 572507243 /nfs/dbraw/zinc/50/72/43/572507243.db2.gz QHJFWQIMDKTSKE-VIFPVBQESA-N 0 0 172.344 2.652 10 30 AFEERN C=CCCC/C=C/CO[C@@H](CC)CO 238276089 572507247 /nfs/dbraw/zinc/50/72/47/572507247.db2.gz WTVMJQCGANNZJL-BCPZQOPPSA-N 0 0 198.306 2.686 10 30 AFEERN CCc1ccc(C[C@H](C)C=O)cc1C 238273565 572507250 /nfs/dbraw/zinc/50/72/50/572507250.db2.gz OVQJWCVZQCWXBG-JTQLQIEISA-N 0 0 190.286 2.935 10 30 AFEERN CCC1(CC)CCN([C@H](C)C#N)CC1 62953812 572521743 /nfs/dbraw/zinc/52/17/43/572521743.db2.gz OSACNSNWJMCNCW-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN CCO[C@H](CC=O)[C@H]1CCC=C[C@@H]1C 238287396 572524282 /nfs/dbraw/zinc/52/42/82/572524282.db2.gz JCHUTUNVLVRVFN-SDDRHHMPSA-N 0 0 196.290 2.583 10 30 AFEERN CSc1cccc(C#N)c1C 238422702 573513792 /nfs/dbraw/zinc/51/37/92/573513792.db2.gz JNESBDNADNRNBP-UHFFFAOYSA-N 0 0 163.245 2.589 10 30 AFEERN N#CCC[C@H]1CCCSCC1 259613923 573513855 /nfs/dbraw/zinc/51/38/55/573513855.db2.gz HJZFPYSWJLDEAA-VIFPVBQESA-N 0 0 169.293 2.823 10 30 AFEERN CC1=C(C)C(=O)[C@H](C)[C@H](C)C1 238421973 573513889 /nfs/dbraw/zinc/51/38/89/573513889.db2.gz IHGUYADFLRRZLX-HTRCEHHLSA-N 0 0 152.237 2.568 10 30 AFEERN CCc1cc(C(C)(C)C)ncc1C#N 74276944 572535300 /nfs/dbraw/zinc/53/53/00/572535300.db2.gz NOERJDUVHSVGFM-UHFFFAOYSA-N 0 0 188.274 2.813 10 30 AFEERN Cc1cnc(-c2cscc2C#N)o1 74274462 572535817 /nfs/dbraw/zinc/53/58/17/572535817.db2.gz IGEDLLJZNRTQLZ-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C=C[C@H]1[C@H](C(=C)C)CC[C@@H](C)[C@H]1O 307419119 572535850 /nfs/dbraw/zinc/53/58/50/572535850.db2.gz GUIVCPKDQMPMHS-NOOOWODRSA-N 0 0 180.291 2.772 10 30 AFEERN CC[C@](CC=O)(OC)c1ccccc1 238293946 572537211 /nfs/dbraw/zinc/53/72/11/572537211.db2.gz QWLPVDLMCWUZAV-GFCCVEGCSA-N 0 0 192.258 2.527 10 30 AFEERN CC(C)(C)CCc1ccc(C#N)cn1 74276962 572537217 /nfs/dbraw/zinc/53/72/17/572537217.db2.gz XJEBFIKBWPVVQR-UHFFFAOYSA-N 0 0 188.274 2.932 10 30 AFEERN Cc1snc(-c2ccco2)c1C#N 74274480 572537469 /nfs/dbraw/zinc/53/74/69/572537469.db2.gz KPFWBBHHTMPUNB-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN CCCN[C@H](C#N)C1CCC(C)CC1 84339560 572538082 /nfs/dbraw/zinc/53/80/82/572538082.db2.gz SYCJQBGZDGAHGD-HTAVTVPLSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@@H]1CCC[C@H]2CC(=O)C=C[C@]21C 238422312 573514029 /nfs/dbraw/zinc/51/40/29/573514029.db2.gz AOYNDCTWVQMAPH-SCVCMEIPSA-N 0 0 178.275 2.958 10 30 AFEERN CCC[C@](C)(S)CC 33606418 573518788 /nfs/dbraw/zinc/51/87/88/573518788.db2.gz AAKKPKDORDWLSG-SSDOTTSWSA-N 0 0 132.272 2.885 10 30 AFEERN CC(C)=CCC[C@]1(C)O[C@H]1CCCO 308603031 573518921 /nfs/dbraw/zinc/51/89/21/573518921.db2.gz VMUJNTWYJVZHFX-RYUDHWBXSA-N 0 0 198.306 2.663 10 30 AFEERN C=C(C)[C@@H](C)[C@H](O)Cc1ccccc1 308603701 573518983 /nfs/dbraw/zinc/51/89/83/573518983.db2.gz VRTBJHRMMTVLLV-DGCLKSJQSA-N 0 0 190.286 2.802 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@H](O)C[C@H]12 306451558 572662598 /nfs/dbraw/zinc/66/25/98/572662598.db2.gz CLPPFTDAGSFPIK-QJPTWQEYSA-N 0 0 180.291 2.894 10 30 AFEERN C[C@@H](C=O)[C@H]1CCc2ccc(F)cc21 257826829 573523464 /nfs/dbraw/zinc/52/34/64/573523464.db2.gz HSCAPGTUIPTYFH-GZMMTYOYSA-N 0 0 192.233 2.691 10 30 AFEERN C=C[C@@](C)(CC=C(C)C)[C@H](C)O 33608564 573523468 /nfs/dbraw/zinc/52/34/68/573523468.db2.gz VLWIAHOZUQCLJS-QWRGUYRKSA-N 0 0 168.280 2.916 10 30 AFEERN O=CC[C@H](F)c1ccccc1Cl 257823403 573523489 /nfs/dbraw/zinc/52/34/89/573523489.db2.gz GMIJFYOYCMZARR-VIFPVBQESA-N 0 0 186.613 2.940 10 30 AFEERN Cc1ccc(N[C@@H]2C[C@H]2C)c(C#N)c1 235285639 573523547 /nfs/dbraw/zinc/52/35/47/573523547.db2.gz URGZLQFFBUZPKO-BXKDBHETSA-N 0 0 186.258 2.687 10 30 AFEERN CC[C@H](C)N[C@@H](C#N)[C@H](C)C(C)(C)C 308606724 573523550 /nfs/dbraw/zinc/52/35/50/573523550.db2.gz WTWMAGZRZJCQNO-DCAQKATOSA-N 0 0 196.338 2.949 10 30 AFEERN CCCSC1(C#N)CCC1 83486561 573530551 /nfs/dbraw/zinc/53/05/51/573530551.db2.gz VEGOGBVUFJKFOS-UHFFFAOYSA-N 0 0 155.266 2.576 10 30 AFEERN C=C1C[C@@H]2[C@@H](C)C(=O)CC[C@]2(C)C1 306434788 572663287 /nfs/dbraw/zinc/66/32/87/572663287.db2.gz KOHIKHJXGIXWBV-CKYFFXLPSA-N 0 0 178.275 2.958 10 30 AFEERN CC#C[C@](C)(O)CCC(C)(C)C 306443002 572663299 /nfs/dbraw/zinc/66/32/99/572663299.db2.gz ZYFWPHBIOZMYAA-NSHDSACASA-N 0 0 168.280 2.587 10 30 AFEERN C=C/C=C/CC[C@H](C)CC=O 307860550 572663325 /nfs/dbraw/zinc/66/33/25/572663325.db2.gz LMLNFWIBSKHZJQ-YEZKRMTDSA-N 0 0 152.237 2.734 10 30 AFEERN C=C1CC[C@H](O)[C@@H]2C[C@H](C)CC[C@H]12 306452968 572663344 /nfs/dbraw/zinc/66/33/44/572663344.db2.gz HTZTZXXJXXCKLJ-HKWIRBFKSA-N 0 0 180.291 2.750 10 30 AFEERN CCSC1(C#N)CCCC1 83484388 573530661 /nfs/dbraw/zinc/53/06/61/573530661.db2.gz MUXLQPUJWITJIX-UHFFFAOYSA-N 0 0 155.266 2.576 10 30 AFEERN C=CC[C@@H]1CC[C@@H]2CC(=O)C[C@]12C 306503244 572676636 /nfs/dbraw/zinc/67/66/36/572676636.db2.gz PJDSWLCOLZWRKQ-CKYFFXLPSA-N 0 0 178.275 2.958 10 30 AFEERN SCC1(C2CCCCC2)COC1 258753754 573530706 /nfs/dbraw/zinc/53/07/06/573530706.db2.gz KGLUFYHVJBHXFI-UHFFFAOYSA-N 0 0 186.320 2.513 10 30 AFEERN C=CC[C@H](O)[C@@]1(C)CC1(Cl)Cl 306510441 572676809 /nfs/dbraw/zinc/67/68/09/572676809.db2.gz LCAUANHYCBRUAM-NKWVEPMBSA-N 0 0 195.089 2.507 10 30 AFEERN C=CCCCC(=O)C(F)(F)C(F)F 236148352 572678147 /nfs/dbraw/zinc/67/81/47/572678147.db2.gz OHBHIUNSOGCRFP-UHFFFAOYSA-N 0 0 198.159 2.812 10 30 AFEERN C=C[C@H]1[C@@H](C(=C)C)CCC[C@H]1O 306587525 572678161 /nfs/dbraw/zinc/67/81/61/572678161.db2.gz MOJSXIXADPCIOC-HBNTYKKESA-N 0 0 166.264 2.526 10 30 AFEERN N#CC1(CNc2ccccc2)CCC1 258757530 573531365 /nfs/dbraw/zinc/53/13/65/573531365.db2.gz XMOYRANSJHSNHA-UHFFFAOYSA-N 0 0 186.258 2.792 10 30 AFEERN O=CCC[C@@H]1CC12CCCC2 211888472 573531404 /nfs/dbraw/zinc/53/14/04/573531404.db2.gz KBMDUXOXEGVJGU-SECBINFHSA-N 0 0 152.237 2.546 10 30 AFEERN CC#CCC[C@H](C)C[C@H](O)CCC 238255926 573531631 /nfs/dbraw/zinc/53/16/31/573531631.db2.gz LWOKAPNFCSCIHK-NWDGAFQWSA-N 0 0 182.307 2.977 10 30 AFEERN CSC(=S)C[C@H](C)[C@@H](C)C=O 238406394 572680580 /nfs/dbraw/zinc/68/05/80/572680580.db2.gz SOLWUSLPBOVBFN-BQBZGAKWSA-N 0 0 190.333 2.538 10 30 AFEERN C=C1[C@H](O)C[C@@H](c2ccccc2)[C@H]1C 307622093 572680590 /nfs/dbraw/zinc/68/05/90/572680590.db2.gz POPKYZMHADSADV-ZWKOPEQDSA-N 0 0 188.270 2.727 10 30 AFEERN C/C=C/C=C\C[C@H](C)CC=O 307867127 572680620 /nfs/dbraw/zinc/68/06/20/572680620.db2.gz SNHYHZASDWQMBF-JOWDJYSLSA-N 0 0 152.237 2.734 10 30 AFEERN C=C(CC)CC(=O)C(C)(C)F 307677702 572680626 /nfs/dbraw/zinc/68/06/26/572680626.db2.gz MDGJSDSBOARBNN-UHFFFAOYSA-N 0 0 158.216 2.660 10 30 AFEERN C=CCC(=O)CC1(C)CCC1 307682719 572680771 /nfs/dbraw/zinc/68/07/71/572680771.db2.gz FUSMPMOCWZHIQE-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C1C=C[C@H]2[C@@H](C)C[C@H](O)[C@@H]1C2(C)C 307648168 572684346 /nfs/dbraw/zinc/68/43/46/572684346.db2.gz OOOABMFZUNLDIF-FIQHERPVSA-N 0 0 192.302 2.772 10 30 AFEERN C=C(C)c1ccc(C#N)cc1C 307652577 572684948 /nfs/dbraw/zinc/68/49/48/572684948.db2.gz NQSPIRSKJXNHTP-UHFFFAOYSA-N 0 0 157.216 2.900 10 30 AFEERN C=CCC[C@H](C)[C@H]1CCCC1=O 238420666 572700463 /nfs/dbraw/zinc/70/04/63/572700463.db2.gz ZMBLKCQQPGECGP-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@H](C)/C=C(/C)CO 238420679 572700479 /nfs/dbraw/zinc/70/04/79/572700479.db2.gz YUFKIBSEJYPSMP-CBFJXKFUSA-N 0 0 154.253 2.527 10 30 AFEERN CC(C)SC1(C#N)CC2(CC2)C1 83488326 573535371 /nfs/dbraw/zinc/53/53/71/573535371.db2.gz HLKWLAMHINTLKS-UHFFFAOYSA-N 0 0 181.304 2.964 10 30 AFEERN Cc1c(C#N)cnc2c(F)cccc12 257828596 573535412 /nfs/dbraw/zinc/53/54/12/573535412.db2.gz ILECRDXCSBUHDB-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN CCCc1csc(CS)n1 259105002 573535502 /nfs/dbraw/zinc/53/55/02/573535502.db2.gz FHSUWMBYTIPLRO-UHFFFAOYSA-N 0 0 173.306 2.525 10 30 AFEERN C=C[C@@H](C)C#C[C@@H](O)c1ccccc1 238434174 573535555 /nfs/dbraw/zinc/53/55/55/573535555.db2.gz GYGRQCZPOQOMEO-DGCLKSJQSA-N 0 0 186.254 2.546 10 30 AFEERN CCc1oc2c(c1C#N)C[C@@H](C)CC2 77090912 572730266 /nfs/dbraw/zinc/73/02/66/572730266.db2.gz BZJNTFMBVSBKKL-QMMMGPOBSA-N 0 0 189.258 2.838 10 30 AFEERN C=C[C@@](C)(/C=C/CO)c1ccccc1 238475851 572736046 /nfs/dbraw/zinc/73/60/46/572736046.db2.gz CFLLNUJSMCISTF-RSPDNQDQSA-N 0 0 188.270 2.679 10 30 AFEERN C=CCC(=O)[C@@H]1CCCC[C@@H]1C 238431297 573535780 /nfs/dbraw/zinc/53/57/80/573535780.db2.gz VKGIEGBRLGSHHH-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)O[C@H](CC(C)C)[C@H](C)CO 393531664 573536179 /nfs/dbraw/zinc/53/61/79/573536179.db2.gz AMRLAQICGOUUMS-GHMZBOCLSA-N 0 0 186.295 2.580 10 30 AFEERN CC[C@H](C)SC1(C#N)CCC1 83498100 573536273 /nfs/dbraw/zinc/53/62/73/573536273.db2.gz ZJJKSWZNLZDKDA-QMMMGPOBSA-N 0 0 169.293 2.964 10 30 AFEERN C[C@H]1CC[C@@]23CCC[C@@]12C=CC3=O 238431187 573536316 /nfs/dbraw/zinc/53/63/16/573536316.db2.gz YEZUFAIPZUFVER-MVWJERBFSA-N 0 0 176.259 2.712 10 30 AFEERN C[C@@H]1CC[C@@H](CC#N)C1(C)C 135755362 573536333 /nfs/dbraw/zinc/53/63/33/573536333.db2.gz AXRYRAJOZGKFNZ-BDAKNGLRSA-N 0 0 151.253 2.972 10 30 AFEERN C[C@@H](C#N)N1CC[C@H](CC(C)(C)C)C1 306286194 573536409 /nfs/dbraw/zinc/53/64/09/573536409.db2.gz DHQKCJUHHKGRJE-WDEREUQCSA-N 0 0 194.322 2.657 10 30 AFEERN Cc1c(N)sc2c(C#N)cccc12 306641269 573536458 /nfs/dbraw/zinc/53/64/58/573536458.db2.gz LVPNUYFZWZQCJM-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN O=CC[C@@H](F)c1cccc(Cl)c1 257829421 573536607 /nfs/dbraw/zinc/53/66/07/573536607.db2.gz IVTAEEOMFFESNW-SECBINFHSA-N 0 0 186.613 2.940 10 30 AFEERN N#CCc1c(F)cc(F)c2occc12 258056150 573541529 /nfs/dbraw/zinc/54/15/29/573541529.db2.gz KZTRBZWKLOHQPI-UHFFFAOYSA-N 0 0 193.152 2.777 10 30 AFEERN C=C(C)CC(=O)[C@@H](CCC)OCC 131850720 573541610 /nfs/dbraw/zinc/54/16/10/573541610.db2.gz PCBALUHDCRFOQP-LLVKDONJSA-N 0 0 184.279 2.727 10 30 AFEERN C=C1CC[C@@H]2[C@H](C)CCC(=O)[C@@H]2C1 238434940 573541744 /nfs/dbraw/zinc/54/17/44/573541744.db2.gz GFYYMYWILBGLAO-GMTAPVOTSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)[C@](C)(C#N)c1ccccc1N 259499470 573541759 /nfs/dbraw/zinc/54/17/59/573541759.db2.gz JFTDWGCYXQZOQJ-LBPRGKRZSA-N 0 0 188.274 2.706 10 30 AFEERN C[C@H](/C=C\C(=O)C(C)(C)C)CF 307909017 572753527 /nfs/dbraw/zinc/75/35/27/572753527.db2.gz WIFZCKXSMTUSCS-RPSMYOMKSA-N 0 0 172.243 2.763 10 30 AFEERN C[C@@H](OC[C@]1(C)CO1)c1ccccc1 85501729 572754275 /nfs/dbraw/zinc/75/42/75/572754275.db2.gz IXTTXFXEEYBQCL-ZYHUDNBSSA-N 0 0 192.258 2.553 10 30 AFEERN C=C[C@H](C)[C@H](C)/C=C/CC(C)=O 307909505 572754706 /nfs/dbraw/zinc/75/47/06/572754706.db2.gz XFJAWUPDZKOIMC-LOSXEJPUSA-N 0 0 166.264 2.980 10 30 AFEERN C=C1CC[C@@]2(C)CCC[C@@H]1C2=O 238436330 573545664 /nfs/dbraw/zinc/54/56/64/573545664.db2.gz RFMBFPZCKMWGAV-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1[C@@H](C)C1(C=O)[Si](C)(C)C 238435569 573546013 /nfs/dbraw/zinc/54/60/13/573546013.db2.gz WPABWSPZVCGXQB-HTQZYQBOSA-N 0 0 170.328 2.550 10 30 AFEERN O=C[C@@H]1C[C@H]2CCCCCC=C[C@H]12 308114016 572755367 /nfs/dbraw/zinc/75/53/67/572755367.db2.gz RVYBCRXAZLTIAD-WOPDTQHZSA-N 0 0 178.275 2.958 10 30 AFEERN CCC=CC(=O)C=C=CC(C)(C)C 308114132 572755491 /nfs/dbraw/zinc/75/54/91/572755491.db2.gz UBSFNNMBAKEHBT-VURMDHGXSA-N 0 0 178.275 2.961 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)C(=O)[C@@H]1C 238435643 573546105 /nfs/dbraw/zinc/54/61/05/573546105.db2.gz LPDXIEACXUVCTG-BBBLOLIVSA-N 0 0 166.264 2.814 10 30 AFEERN C=CCC1(C(=O)OC)C2CCC1CC2 39112415 573546114 /nfs/dbraw/zinc/54/61/14/573546114.db2.gz DDAJXIOFKAZIEZ-UHFFFAOYSA-N 0 0 194.274 2.542 10 30 AFEERN CC#CCC[C@@](C)(O)[C@H]1CC1(C)C 306767039 572757925 /nfs/dbraw/zinc/75/79/25/572757925.db2.gz CCRFVORSLONVML-CMPLNLGQSA-N 0 0 180.291 2.587 10 30 AFEERN C=C[C@@H](C)[C@@]1(C)C=CC=C(C)C1=O 238436480 573546154 /nfs/dbraw/zinc/54/61/54/573546154.db2.gz FVIULRASMZPQLW-ZYHUDNBSSA-N 0 0 176.259 2.900 10 30 AFEERN C1CCC(SCCC[C@H]2CO2)C1 308116354 572760158 /nfs/dbraw/zinc/76/01/58/572760158.db2.gz MRARGHXDTDQOFV-VIFPVBQESA-N 0 0 186.320 2.841 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@H](NC(C)=O)C1 238435558 573546167 /nfs/dbraw/zinc/54/61/67/573546167.db2.gz CXEJOKSPSRYVFT-JLLWLGSASA-N 0 0 195.306 2.503 10 30 AFEERN C=CC[C@@H](C)C[C@H](O)C(C)C 307921852 572760307 /nfs/dbraw/zinc/76/03/07/572760307.db2.gz MEFBAOMMGBVWRT-ZJUUUORDSA-N 0 0 156.269 2.606 10 30 AFEERN ON=C1CCCc2c(Cl)cccc21 308115670 572760326 /nfs/dbraw/zinc/76/03/26/572760326.db2.gz RREPTQJVOKICOT-UHFFFAOYSA-N 0 0 195.649 2.855 10 30 AFEERN Cc1ccc2c(c1)cc(CCC#N)n2C 259505555 573549178 /nfs/dbraw/zinc/54/91/78/573549178.db2.gz BHMWIEJSYOFDFK-UHFFFAOYSA-N 0 0 198.269 2.943 10 30 AFEERN C[C@@H]1[C@H](C#N)[C@H]1C1CCCC1 259505574 573549189 /nfs/dbraw/zinc/54/91/89/573549189.db2.gz BHPMECHUNUYXQB-FKTZTGRPSA-N 0 0 149.237 2.582 10 30 AFEERN CC[C@@]1(C#N)CC12CCCC2 259502081 573549230 /nfs/dbraw/zinc/54/92/30/573549230.db2.gz AVDRWLAUHSPHDL-VIFPVBQESA-N 0 0 149.237 2.870 10 30 AFEERN C=C(C)CSc1cccc(CO)c1 85537420 572761315 /nfs/dbraw/zinc/76/13/15/572761315.db2.gz BPCLUAFCSKENQE-UHFFFAOYSA-N 0 0 194.299 2.847 10 30 AFEERN C=CC[C@H](O)[C@@H]1CCCC[C@H]1C 306743259 572767071 /nfs/dbraw/zinc/76/70/71/572767071.db2.gz GYUZFBDMNGLVFM-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C[C@H](CC(F)F)Cn1cccc1C#N 688740853 573556942 /nfs/dbraw/zinc/55/69/42/573556942.db2.gz SNJYUXBRFXOXSZ-MRVPVSSYSA-N 0 0 198.216 2.651 10 30 AFEERN C#Cc1nc2cc(Cl)ccc2s1 306708629 572776910 /nfs/dbraw/zinc/77/69/10/572776910.db2.gz OZIQZKRBFVYPEN-UHFFFAOYSA-N 0 0 193.658 2.931 10 30 AFEERN C=CCC[C@H](C)Nc1ccnn1CC 308620640 573557263 /nfs/dbraw/zinc/55/72/63/573557263.db2.gz SWLATYXZBMJOAJ-JTQLQIEISA-N 0 0 193.294 2.670 10 30 AFEERN C=C[C@H](c1ccccc1)C(F)(F)C=O 238546985 572785538 /nfs/dbraw/zinc/78/55/38/572785538.db2.gz YSXPFJPCMLQKFI-SNVBAGLBSA-N 0 0 196.196 2.790 10 30 AFEERN CC(C)(C)c1ccc(NCC=O)cc1 258777484 573561181 /nfs/dbraw/zinc/56/11/81/573561181.db2.gz ZGQNYUBXAUHVCI-UHFFFAOYSA-N 0 0 191.274 2.595 10 30 AFEERN C=C[C@H](C)c1noc(/C=C/CC)n1 393536918 573561201 /nfs/dbraw/zinc/56/12/01/573561201.db2.gz HZFKVAWWTPBYTF-CZEYKFRCSA-N 0 0 178.235 2.782 10 30 AFEERN N#C[C@H]1[C@@H](C2CC2)C12CCCC2 259509590 573561207 /nfs/dbraw/zinc/56/12/07/573561207.db2.gz BUAZLHGRAMNKMT-VHSXEESVSA-N 0 0 161.248 2.726 10 30 AFEERN C/C(=C\c1ccccc1)[C@H](C)C=O 238439899 573561232 /nfs/dbraw/zinc/56/12/32/573561232.db2.gz SEVKNRPPLSFBRB-RJCSOLBVSA-N 0 0 174.243 2.925 10 30 AFEERN C=C[C@@H](O)C1=C[C@H]2CC[C@]1(C)C2(C)C 307743416 572795378 /nfs/dbraw/zinc/79/53/78/572795378.db2.gz MCGKCQHDFLFEFZ-XWIASGKRSA-N 0 0 192.302 2.916 10 30 AFEERN C=C[C@@H](C)c1noc(C2CCC2)n1 307747403 572798146 /nfs/dbraw/zinc/79/81/46/572798146.db2.gz YOFUHXUUYWAEPE-SSDOTTSWSA-N 0 0 178.235 2.627 10 30 AFEERN C=C(C)[C@@]1(C)CC=C(C)[C@@H](O)C1 306847915 572798167 /nfs/dbraw/zinc/79/81/67/572798167.db2.gz LWBYYAWBIHEEMY-QWRGUYRKSA-N 0 0 166.264 2.670 10 30 AFEERN C/C=C/C=C/C#C/C=C\[C@H](O)CCC 308621451 573561287 /nfs/dbraw/zinc/56/12/87/573561287.db2.gz FZPXPMLIFZJOGH-VJWIFXIWSA-N 0 0 190.286 2.839 10 30 AFEERN CCCOc1ccc(CCS)cc1 71507401 572839827 /nfs/dbraw/zinc/83/98/27/572839827.db2.gz KXSGXPPCYCBNCA-UHFFFAOYSA-N 0 0 196.315 2.948 10 30 AFEERN CC(C)c1cccc2c1NC[C@H]2C#N 71486971 572827954 /nfs/dbraw/zinc/82/79/54/572827954.db2.gz HRUBEDJEZVDCKI-SECBINFHSA-N 0 0 186.258 2.843 10 30 AFEERN C=CCCn1ccc([C@H](O)CCC)c1 85841332 572827956 /nfs/dbraw/zinc/82/79/56/572827956.db2.gz ABJLJUAKYFLRRI-GFCCVEGCSA-N 0 0 193.290 2.898 10 30 AFEERN C=CCCn1ccc(C(=O)C2CC2)c1 85844534 572827976 /nfs/dbraw/zinc/82/79/76/572827976.db2.gz IKOGTLMPAFQRFR-UHFFFAOYSA-N 0 0 189.258 2.657 10 30 AFEERN C=C(C)Cn1ccc(C(=O)C2CC2)c1 85844459 572828001 /nfs/dbraw/zinc/82/80/01/572828001.db2.gz HSEFNKIYGOUDDI-UHFFFAOYSA-N 0 0 189.258 2.657 10 30 AFEERN C=CCCn1ccc([C@H](O)C2CC2)c1 85844777 572828741 /nfs/dbraw/zinc/82/87/41/572828741.db2.gz OGKRUNXPPIWTEI-GFCCVEGCSA-N 0 0 191.274 2.508 10 30 AFEERN C=CCCn1ccc([C@@H](O)CCC)c1 85841327 572828777 /nfs/dbraw/zinc/82/87/77/572828777.db2.gz ABJLJUAKYFLRRI-LBPRGKRZSA-N 0 0 193.290 2.898 10 30 AFEERN C=C(C)[C@@H](O)/C=C/C=C\c1ccco1 308623327 573561702 /nfs/dbraw/zinc/56/17/02/573561702.db2.gz HTPZDUNSFJAIDQ-NUWPPCCSSA-N 0 0 190.242 2.786 10 30 AFEERN CC[C@@](C)(C#N)[C@@H](O)CC(C)(C)C 85892741 572835852 /nfs/dbraw/zinc/83/58/52/572835852.db2.gz ZLHJSOXWOGWEMI-ONGXEEELSA-N 0 0 183.295 2.723 10 30 AFEERN CC[C@H]1CCCC1=NN(C)CC 307957579 572839714 /nfs/dbraw/zinc/83/97/14/572839714.db2.gz SHSIAVMFAPHAAA-VIFPVBQESA-N 0 0 168.284 2.504 10 30 AFEERN Cc1cc(C)c(O)c([C@@H](C)CC=O)c1 258061933 573562803 /nfs/dbraw/zinc/56/28/03/573562803.db2.gz LOGMQDDPOUBULF-VIFPVBQESA-N 0 0 192.258 2.702 10 30 AFEERN C#C/C=C/C=C\[C@H](O)CCCCC 308150085 572844368 /nfs/dbraw/zinc/84/43/68/572844368.db2.gz HHNMOTPBDWDXKW-FMULCFFSSA-N 0 0 178.275 2.673 10 30 AFEERN C=C(C)CC(=O)Cc1cccs1 86022658 572844441 /nfs/dbraw/zinc/84/44/41/572844441.db2.gz JOCWYJHDUIXRQB-UHFFFAOYSA-N 0 0 180.272 2.826 10 30 AFEERN CC1CCC([C@H](C)C=O)CC1 107398745 573562978 /nfs/dbraw/zinc/56/29/78/573562978.db2.gz IHFVXSDTDIXNPU-HWOCKDDLSA-N 0 0 154.253 2.648 10 30 AFEERN C#CCCC(=O)OC1CCC(C)CC1 75421433 572844668 /nfs/dbraw/zinc/84/46/68/572844668.db2.gz KIWWYEIEYGDMBB-UHFFFAOYSA-N 0 0 194.274 2.522 10 30 AFEERN C=C(C)[C@@H](O)c1ccc(OCC)cc1 86018759 572844693 /nfs/dbraw/zinc/84/46/93/572844693.db2.gz DGILSCRMVYILBB-GFCCVEGCSA-N 0 0 192.258 2.695 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H](C)CC 307954947 572844829 /nfs/dbraw/zinc/84/48/29/572844829.db2.gz QTFKQEFMBDDUIX-IUCAKERBSA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)[C@@H](O)c1ccc2ccccc2n1 86021145 572844864 /nfs/dbraw/zinc/84/48/64/572844864.db2.gz GRKCKWRNVYPDJD-CYBMUJFWSA-N 0 0 199.253 2.844 10 30 AFEERN C=C(C)CC(=O)Cc1ccccc1F 86022469 572844911 /nfs/dbraw/zinc/84/49/11/572844911.db2.gz AXEDNIPUYJFIQP-UHFFFAOYSA-N 0 0 192.233 2.904 10 30 AFEERN C=C(C)[C@@H](O)CCCCCC 86020286 572844952 /nfs/dbraw/zinc/84/49/52/572844952.db2.gz PLZDBJRJRRIYJL-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN C=C(C)[C@@H](O)/C=C\c1ccc(F)cc1 308622251 573563635 /nfs/dbraw/zinc/56/36/35/573563635.db2.gz GUWVJSCPZJFBOB-JECSTDCCSA-N 0 0 192.233 2.776 10 30 AFEERN Cc1cc(O)c(F)c([C@H](C)CC=O)c1 258061869 573563641 /nfs/dbraw/zinc/56/36/41/573563641.db2.gz LMHYSERRWMEVKW-MRVPVSSYSA-N 0 0 196.221 2.532 10 30 AFEERN Cc1cc(C)c(O)c([C@H](C)CC=O)c1 258061931 573563735 /nfs/dbraw/zinc/56/37/35/573563735.db2.gz LOGMQDDPOUBULF-SECBINFHSA-N 0 0 192.258 2.702 10 30 AFEERN C=C(C[C@H](O)c1cccc(C)c1)OC 308622130 573563743 /nfs/dbraw/zinc/56/37/43/573563743.db2.gz GPHFUYWPXRNTGF-LBPRGKRZSA-N 0 0 192.258 2.579 10 30 AFEERN C#CCCc1ccc(OC)c(CC)c1 75421206 572845178 /nfs/dbraw/zinc/84/51/78/572845178.db2.gz RAOJMTBGWMECIG-UHFFFAOYSA-N 0 0 188.270 2.823 10 30 AFEERN CC[C@H]1CCC1=NOC1CCC1 307965514 572867451 /nfs/dbraw/zinc/86/74/51/572867451.db2.gz BOEPDBTVHRGWPX-QMMMGPOBSA-N 0 0 167.252 2.732 10 30 AFEERN C=CC[C@H](C#N)c1cccc(C)n1 75562911 572867452 /nfs/dbraw/zinc/86/74/52/572867452.db2.gz OFNDACHHKKLACJ-SNVBAGLBSA-N 0 0 172.231 2.573 10 30 AFEERN CC[C@@H]1CCC1=NOC1CCC1 307965513 572867460 /nfs/dbraw/zinc/86/74/60/572867460.db2.gz BOEPDBTVHRGWPX-MRVPVSSYSA-N 0 0 167.252 2.732 10 30 AFEERN N#CCCCCc1ccc(N)cc1 75564759 572867481 /nfs/dbraw/zinc/86/74/81/572867481.db2.gz UFCUKCDTIGZABF-UHFFFAOYSA-N 0 0 174.247 2.505 10 30 AFEERN Cc1ccccc1[C@@H]1CC[C@@H]1C=O 257831166 573565293 /nfs/dbraw/zinc/56/52/93/573565293.db2.gz JNWRUJSHNHNPFD-ZYHUDNBSSA-N 0 0 174.243 2.688 10 30 AFEERN C=C[C@@]1(C)C(C)=C(C)C(=O)[C@@H]1C 238432754 573565299 /nfs/dbraw/zinc/56/52/99/573565299.db2.gz OMHQJPDKZPEVOI-ONGXEEELSA-N 0 0 164.248 2.734 10 30 AFEERN C=CCNCc1ncc(C(C)C)s1 308156702 572871418 /nfs/dbraw/zinc/87/14/18/572871418.db2.gz RTDYWPRSCLPOON-UHFFFAOYSA-N 0 0 196.319 2.542 10 30 AFEERN CCC(=NN[C@@H](C)CC)C(C)C 307970674 572872504 /nfs/dbraw/zinc/87/25/04/572872504.db2.gz GWUKKMKGABVKPM-VIFPVBQESA-N 0 0 170.300 2.797 10 30 AFEERN C=C[C@H](C)[C@H](C)C(=O)OC1CCC1 308172272 572892134 /nfs/dbraw/zinc/89/21/34/572892134.db2.gz AJBRTUNIDXHOLW-IUCAKERBSA-N 0 0 182.263 2.540 10 30 AFEERN CCN(C)N=CC1CCCCCC1 308171677 572892140 /nfs/dbraw/zinc/89/21/40/572892140.db2.gz BRFVXGFKGUDPKO-UHFFFAOYSA-N 0 0 182.311 2.894 10 30 AFEERN CC#C[C@H](O)CC1CCCCCC1 307050121 572892141 /nfs/dbraw/zinc/89/21/41/572892141.db2.gz QROYXVGXRFDBHQ-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN C=C(C)CC(=O)c1ccc(C)cn1 307096414 572892218 /nfs/dbraw/zinc/89/22/18/572892218.db2.gz DIKGPABINYAARP-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C=C[C@H]1C[C@@H](O)CC[C@@H]1C(=C)C 307093840 572892220 /nfs/dbraw/zinc/89/22/20/572892220.db2.gz BEEVROBYEQPUQD-GARJFASQSA-N 0 0 166.264 2.526 10 30 AFEERN C=CCC[C@@]1(O)CCCC[C@H]1C 307096501 572892236 /nfs/dbraw/zinc/89/22/36/572892236.db2.gz DPSWHLVMVBJSFD-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN CCN(CC#N)[C@@H](C)c1cccs1 308172344 572892238 /nfs/dbraw/zinc/89/22/38/572892238.db2.gz BTHVNVMXAUBONM-VIFPVBQESA-N 0 0 194.303 2.655 10 30 AFEERN C[C@@H]1CCC(=O)C2=CCC[C@]21C 238432756 573568186 /nfs/dbraw/zinc/56/81/86/573568186.db2.gz SENQSIGKXXIASQ-KCJUWKMLSA-N 0 0 164.248 2.712 10 30 AFEERN CC/C=C(\C#C/C=C\CO)CCC 308169206 572889000 /nfs/dbraw/zinc/88/90/00/572889000.db2.gz UIFLUMPHSRXKMA-IWAIYXLHSA-N 0 0 178.275 2.675 10 30 AFEERN CCCc1cccc(C(F)(F)C=O)c1 257832230 573568234 /nfs/dbraw/zinc/56/82/34/573568234.db2.gz HUEFUEBJVHISMT-UHFFFAOYSA-N 0 0 198.212 2.930 10 30 AFEERN C/C=C(/C)C(=O)CC(C)C 224324731 573568256 /nfs/dbraw/zinc/56/82/56/573568256.db2.gz VMMUAOMOKBEIBA-YVMONPNESA-N 0 0 140.226 2.568 10 30 AFEERN CC#CC[C@H](O)[C@H]1CC2CCC1CC2 307050909 572890082 /nfs/dbraw/zinc/89/00/82/572890082.db2.gz MFAMLFZXENKJHI-TYUFSLCMSA-N 0 0 192.302 2.587 10 30 AFEERN OCCCCCCCCCC=NO 308169234 572890164 /nfs/dbraw/zinc/89/01/64/572890164.db2.gz UMGXNSMTHASOJJ-UHFFFAOYSA-N 0 0 187.283 2.560 10 30 AFEERN C=C[C@H](O)[C@H]1C=C(/C=C\C)CCC1 308169189 572890190 /nfs/dbraw/zinc/89/01/90/572890190.db2.gz UHIWLYHACMIDNM-FVLQNALFSA-N 0 0 178.275 2.836 10 30 AFEERN CC[C@H](O)CC#C/C=C\C(C)(C)C 308170117 572890213 /nfs/dbraw/zinc/89/02/13/572890213.db2.gz VDZOCNPWFCOWHF-IEHMKBBKSA-N 0 0 180.291 2.753 10 30 AFEERN C=CCCOC(=O)[C@H]1C[C@@H]1CCC 308169384 572890217 /nfs/dbraw/zinc/89/02/17/572890217.db2.gz ATBYPFFZIMLRSU-UWVGGRQHSA-N 0 0 182.263 2.542 10 30 AFEERN C=C[C@@H](CC)OC(=O)C(F)=C(C)C 308170421 572890223 /nfs/dbraw/zinc/89/02/23/572890223.db2.gz BDJAINUNBFCTCF-QMMMGPOBSA-N 0 0 186.226 2.758 10 30 AFEERN C=CCC1=C/C(=C/C)CC[C@@H]1O 307978846 572892006 /nfs/dbraw/zinc/89/20/06/572892006.db2.gz LKVAYJCBHVUBBI-VKJYCEFSSA-N 0 0 164.248 2.590 10 30 AFEERN C/C=C\CCCC#CCCCO 307978903 572892024 /nfs/dbraw/zinc/89/20/24/572892024.db2.gz LUQBJPXFEZVEHN-IHWYPQMZSA-N 0 0 166.264 2.509 10 30 AFEERN CCCCCNN=C(C)C(C)C 307978274 572892026 /nfs/dbraw/zinc/89/20/26/572892026.db2.gz MXTGYRSPFLODHL-UHFFFAOYSA-N 0 0 170.300 2.798 10 30 AFEERN C=C(C)CCNc1cccc(F)c1N 307043968 572892061 /nfs/dbraw/zinc/89/20/61/572892061.db2.gz NIMVIHUXGNGOLU-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN C=C[C@H](O)[C@H]1CCCC[C@H]1CC 307063450 572892077 /nfs/dbraw/zinc/89/20/77/572892077.db2.gz OLZZRMIHZJSZTR-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C=C1C[C@]23CCC[C@]2(C)C[C@@H](O)[C@H]13 307040045 572892096 /nfs/dbraw/zinc/89/20/96/572892096.db2.gz HZMITPVQXJRZPU-KXNHARMFSA-N 0 0 178.275 2.504 10 30 AFEERN C=CCCC/C=C/COC[C@H](O)CC 238271339 573569535 /nfs/dbraw/zinc/56/95/35/573569535.db2.gz IAUOFOMKRKECOL-IDVQTMNDSA-N 0 0 198.306 2.686 10 30 AFEERN CC[C@@](C)(C#N)n1c(C)ccc1C 86681155 573569559 /nfs/dbraw/zinc/56/95/59/573569559.db2.gz DNWGXSQQNPPZQU-NSHDSACASA-N 0 0 176.263 2.754 10 30 AFEERN CC[C@H](CC#N)n1c(C)ccc1C 86681497 573569657 /nfs/dbraw/zinc/56/96/57/573569657.db2.gz MAVRVQZVCUQOEN-LLVKDONJSA-N 0 0 176.263 2.970 10 30 AFEERN Cc1ccc(C#N)cc1C(=O)C(C)C 75854777 572903661 /nfs/dbraw/zinc/90/36/61/572903661.db2.gz ZRNSRTSWMCZDOS-UHFFFAOYSA-N 0 0 187.242 2.705 10 30 AFEERN C=C(CC)COC(=O)C1(CC)CC1 308179810 572903822 /nfs/dbraw/zinc/90/38/22/572903822.db2.gz GUAZGDYYPGTLOU-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)[C@@H](O)C[C@@H](CCC#N)C(C)C 308623390 573569772 /nfs/dbraw/zinc/56/97/72/573569772.db2.gz IBLQTIICPWFQSZ-NEPJUHHUSA-N 0 0 195.306 2.889 10 30 AFEERN CCCCC(=O)[C@@H](C#N)CCC 86314414 572913527 /nfs/dbraw/zinc/91/35/27/572913527.db2.gz HSMVFFSDSLAEEF-SECBINFHSA-N 0 0 167.252 2.686 10 30 AFEERN CC=CC(=O)[C@@H](C)C=C/C=C/C 238004335 572913552 /nfs/dbraw/zinc/91/35/52/572913552.db2.gz MDMUYJBMDRPUAP-CLSJLTNKSA-N 0 0 164.248 2.900 10 30 AFEERN C=CCCC/C=C\CO[C@H](C)CCO 308625582 573569801 /nfs/dbraw/zinc/56/98/01/573569801.db2.gz KUDYOQFGJUFNCL-QDZRJHCZSA-N 0 0 198.306 2.686 10 30 AFEERN CCOc1cccc([C@@H]2O[C@@H]2C)c1 258783240 573572903 /nfs/dbraw/zinc/57/29/03/573572903.db2.gz MBYFVDAVFZNGCA-LDYMZIIASA-N 0 0 178.231 2.545 10 30 AFEERN CCCc1cccc([C@@H](F)C=O)c1 257832383 573572928 /nfs/dbraw/zinc/57/29/28/573572928.db2.gz KBUNMQCALHBPMN-NSHDSACASA-N 0 0 180.222 2.849 10 30 AFEERN Cc1ccc([C@@H](C)C=O)cc1Cl 257832403 573573081 /nfs/dbraw/zinc/57/30/81/573573081.db2.gz KCFSKXVIVGJYNO-QMMMGPOBSA-N 0 0 182.650 2.951 10 30 AFEERN Cc1ccccc1-c1[nH]nc(C#N)c1C 259516301 573573105 /nfs/dbraw/zinc/57/31/05/573573105.db2.gz WVBHIOICBZTDPA-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN N#C[C@@H]1C[C@@H]1c1ccc(F)cc1F 259114039 573573152 /nfs/dbraw/zinc/57/31/52/573573152.db2.gz KSKUEPBPWXOHHC-RCOVLWMOSA-N 0 0 179.169 2.592 10 30 AFEERN Oc1ccc2c(CS)coc2c1 258064732 573573168 /nfs/dbraw/zinc/57/31/68/573573168.db2.gz PKHOLPHNWHFTCJ-UHFFFAOYSA-N 0 0 180.228 2.568 10 30 AFEERN CCOc1cccc([C@@H]2O[C@H]2C)c1 258783234 573573178 /nfs/dbraw/zinc/57/31/78/573573178.db2.gz MBYFVDAVFZNGCA-GZMMTYOYSA-N 0 0 178.231 2.545 10 30 AFEERN C=C(C)CC[C@@](C)(CC=O)C(C)=O 238084633 572917093 /nfs/dbraw/zinc/91/70/93/572917093.db2.gz NZNWGDSVOBWSNX-NSHDSACASA-N 0 0 182.263 2.527 10 30 AFEERN C#C[C@H](O)[C@H](/C(C)=C/C=C/C)C(C)C 237999004 572917183 /nfs/dbraw/zinc/91/71/83/572917183.db2.gz QFCJVADKQULYIK-MEVLGIROSA-N 0 0 192.302 2.775 10 30 AFEERN C=CC/C(C)=C\[C@H](O)c1ccco1 238038023 572917531 /nfs/dbraw/zinc/91/75/31/572917531.db2.gz FCHQQWQTAWJATR-QROTZFDESA-N 0 0 178.231 2.835 10 30 AFEERN N#Cc1c(O)ccc2c1CCCCC2 258064757 573573271 /nfs/dbraw/zinc/57/32/71/573573271.db2.gz LQSNGIXGMBJXJL-UHFFFAOYSA-N 0 0 187.242 2.533 10 30 AFEERN N#CCCOc1cccc2ccoc12 141127687 572925516 /nfs/dbraw/zinc/92/55/16/572925516.db2.gz GXNZTCJSMDLEBU-UHFFFAOYSA-N 0 0 187.198 2.725 10 30 AFEERN C=C(C)[C@@H](CCC#N)CCC(C)=O 238111463 572937859 /nfs/dbraw/zinc/93/78/59/572937859.db2.gz CPNXPHYNLOOAHH-NSHDSACASA-N 0 0 179.263 2.852 10 30 AFEERN C=C(C)[C@@H](O)CC/C(C)=C/CCC#N 238115758 572937911 /nfs/dbraw/zinc/93/79/11/572937911.db2.gz BCPVDYDFJPETTL-BCMYLCSRSA-N 0 0 193.290 2.954 10 30 AFEERN CCC(=NNC[C@H]1C[C@H]1C)C(C)C 308194934 572926027 /nfs/dbraw/zinc/92/60/27/572926027.db2.gz QFDLQMXRKUTDHO-NXEZZACHSA-N 0 0 182.311 2.654 10 30 AFEERN C=C(CC)CN(CCC(C)C)OC 308194987 572926070 /nfs/dbraw/zinc/92/60/70/572926070.db2.gz QIEGIMJNOVZGJK-UHFFFAOYSA-N 0 0 185.311 2.862 10 30 AFEERN N#CCc1ccc(NCCCF)cc1 88024843 572930181 /nfs/dbraw/zinc/93/01/81/572930181.db2.gz KOGJBQYOUFRXIY-UHFFFAOYSA-N 0 0 192.237 2.524 10 30 AFEERN C=COc1cccc(NCCC#N)c1 238104296 572933426 /nfs/dbraw/zinc/93/34/26/572933426.db2.gz MOEYKJVPCMSXMO-UHFFFAOYSA-N 0 0 188.230 2.534 10 30 AFEERN Cc1cc(-c2cccc(C#N)n2)c(C)o1 259517456 573576696 /nfs/dbraw/zinc/57/66/96/573576696.db2.gz APRDUBAGNZKPSY-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN CC[C@H](C#N)[C@@H](O)[C@H](C)C(C)(C)C 308197209 572940238 /nfs/dbraw/zinc/94/02/38/572940238.db2.gz RYLPWHYXAWGJRA-AEJSXWLSSA-N 0 0 183.295 2.579 10 30 AFEERN CC[C@H](C#N)[C@H](O)[C@H](C)C(C)(C)C 308197211 572940276 /nfs/dbraw/zinc/94/02/76/572940276.db2.gz RYLPWHYXAWGJRA-IVZWLZJFSA-N 0 0 183.295 2.579 10 30 AFEERN C=CC[C@]1(C)C=C(C(=C)CO)CC1 308197660 572940401 /nfs/dbraw/zinc/94/04/01/572940401.db2.gz NRKCSUYIVXHWHZ-LBPRGKRZSA-N 0 0 178.275 2.838 10 30 AFEERN C[C@H](CCC(C)(C)C)[NH2+]CCC#N 308197542 572940403 /nfs/dbraw/zinc/94/04/03/572940403.db2.gz SDZVXKLNVYZAJI-SNVBAGLBSA-N 0 0 182.311 2.704 10 30 AFEERN CC(C)(C)n1c(C#N)nc2ccccc21 76083667 572941419 /nfs/dbraw/zinc/94/14/19/572941419.db2.gz UBEAYHSHVJTJNF-UHFFFAOYSA-N 0 0 199.257 2.663 10 30 AFEERN C=C(C=C(C)C)CCCCO 238133435 572941465 /nfs/dbraw/zinc/94/14/65/572941465.db2.gz FAASYNXBKGXUDJ-UHFFFAOYSA-N 0 0 154.253 2.671 10 30 AFEERN C=C[C@@H](CC)OC(=O)CC(C)(C)C 308405770 573576812 /nfs/dbraw/zinc/57/68/12/573576812.db2.gz JNTDCKDPZLVTGR-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN CCc1cc(CS)ccc1OC 58520094 572952773 /nfs/dbraw/zinc/95/27/73/572952773.db2.gz ABYNVAVLPMZZDK-UHFFFAOYSA-N 0 0 182.288 2.687 10 30 AFEERN C[C@@H]1CCC=C2C(=O)CC[C@@]21C 238442499 573583594 /nfs/dbraw/zinc/58/35/94/573583594.db2.gz IDUCIUHNAJCVMI-LDYMZIIASA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C=C/C(C)C 308402865 573585712 /nfs/dbraw/zinc/58/57/12/573585712.db2.gz HZPUBGUQAIRXOX-JARNTUPDSA-N 0 0 182.263 2.706 10 30 AFEERN Cc1ccsc1N(C)C(C)(C)C#N 258798122 573585625 /nfs/dbraw/zinc/58/56/25/573585625.db2.gz MYANWEQTRABBRR-UHFFFAOYSA-N 0 0 194.303 2.795 10 30 AFEERN Cc1ccc(NN=Cc2ccc[nH]2)cc1 59166402 572966790 /nfs/dbraw/zinc/96/67/90/572966790.db2.gz FRKIZTGQGLDIKA-NTEUORMPSA-N 0 0 199.257 2.769 10 30 AFEERN CC(C)Cc1ccccc1CC=O 238175602 572966856 /nfs/dbraw/zinc/96/68/56/572966856.db2.gz LWFGOIPJGJKZQG-UHFFFAOYSA-N 0 0 176.259 2.627 10 30 AFEERN CC(C)C[C@H](C)C[C@H](C)[C@@H](C#N)CO 238173641 572966863 /nfs/dbraw/zinc/96/68/63/572966863.db2.gz ZQMHGPRPHPIFBK-SRVKXCTJSA-N 0 0 197.322 2.827 10 30 AFEERN Cc1ccc(O)c2c(C#N)csc12 307098399 573585656 /nfs/dbraw/zinc/58/56/56/573585656.db2.gz GUAKCSSUZMXSBP-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C[C@@H]1CSc2ccc(CC=O)cc21 258210130 572998834 /nfs/dbraw/zinc/99/88/34/572998834.db2.gz VEVXWDVRJXUCEL-MRVPVSSYSA-N 0 0 192.283 2.637 10 30 AFEERN CC=C=CC(=O)c1ccc(C)cc1 238241032 572998872 /nfs/dbraw/zinc/99/88/72/572998872.db2.gz ANYQOOIFUHYLRX-UHFFFAOYSA-N 0 0 172.227 2.909 10 30 AFEERN CCC[C@H](C)C=NOCC(F)(F)F 308218511 572998889 /nfs/dbraw/zinc/99/88/89/572998889.db2.gz KFTFAPBYLPZRNZ-ZETCQYMHSA-N 0 0 197.200 2.987 10 30 AFEERN CC1=CC[C@@]2(C=O)CCCC[C@H]12 238240903 572998927 /nfs/dbraw/zinc/99/89/27/572998927.db2.gz JLYLYONZRPXFLT-GHMZBOCLSA-N 0 0 164.248 2.712 10 30 AFEERN C#CC(C)(C)Nc1ccc(C#N)c(C)c1 88124102 572968519 /nfs/dbraw/zinc/96/85/19/572968519.db2.gz OFWQSVWAIDQXJA-UHFFFAOYSA-N 0 0 198.269 2.690 10 30 AFEERN CC1=C2C(=O)CC[C@@]2(C)CCC1 59243681 572968573 /nfs/dbraw/zinc/96/85/73/572968573.db2.gz BRUSQFOXVWJTTN-LLVKDONJSA-N 0 0 164.248 2.856 10 30 AFEERN C=C[C@H](C)Nc1ccc(F)cc1OC 234959827 572970271 /nfs/dbraw/zinc/97/02/71/572970271.db2.gz DOZDLYACQHCXMW-QMMMGPOBSA-N 0 0 195.237 2.821 10 30 AFEERN C=C/C=C\CC[C@@]1(C#N)CCCCN1 713665136 572974924 /nfs/dbraw/zinc/97/49/24/572974924.db2.gz QMCVSUYSTOAASR-MVZIDQBPSA-N 0 0 190.290 2.545 10 30 AFEERN C[C@H]1CSc2ccc(CC=O)cc21 258210132 572998983 /nfs/dbraw/zinc/99/89/83/572998983.db2.gz VEVXWDVRJXUCEL-QMMMGPOBSA-N 0 0 192.283 2.637 10 30 AFEERN C#CCC[C@H](O)C(C)(C)C(C)(C)C 308219046 572998995 /nfs/dbraw/zinc/99/89/95/572998995.db2.gz KJWDKHJZXRDCPE-JTQLQIEISA-N 0 0 182.307 2.833 10 30 AFEERN CC1(C)C=CC2=CC(=O)CC[C@@H]2C1 238241268 572999032 /nfs/dbraw/zinc/99/90/32/572999032.db2.gz SORTXFDAYHRHTA-SNVBAGLBSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC[C@H](C(C)(C)C=O)CC1 238241838 572998755 /nfs/dbraw/zinc/99/87/55/572998755.db2.gz IMKHUHBHEBJHGH-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C#CCC(C)(C)[C@@H](O)C1=CCC[C@H]1C 238442423 573587178 /nfs/dbraw/zinc/58/71/78/573587178.db2.gz LMNNEIXZTWILKC-PWSUYJOCSA-N 0 0 192.302 2.753 10 30 AFEERN C[C@@H](S)c1ccc2ncoc2c1 259302061 572999109 /nfs/dbraw/zinc/99/91/09/572999109.db2.gz QULSKYJPJGMWOP-ZCFIWIBFSA-N 0 0 179.244 2.819 10 30 AFEERN C=C[C@H]1CC=C(C)C(=O)C1(C)C 238242432 572999953 /nfs/dbraw/zinc/99/99/53/572999953.db2.gz QDDWYDHCCUKPRB-VIFPVBQESA-N 0 0 164.248 2.734 10 30 AFEERN CC=C=C[C@](C)(C=O)c1ccccc1 238242189 572999974 /nfs/dbraw/zinc/99/99/74/572999974.db2.gz JDOPEMXHFHJZOC-UHPMRNIESA-N 0 0 186.254 2.874 10 30 AFEERN C=C[C@H]1CC=C(C)[C@@H](C=O)C1(C)C 238242456 573000155 /nfs/dbraw/zinc/00/01/55/573000155.db2.gz MVPDEVZTQXUWCH-WDEREUQCSA-N 0 0 178.275 2.980 10 30 AFEERN C=C[C@H]1CC=C(C)[C@H](C=O)C1(C)C 238242477 573000247 /nfs/dbraw/zinc/00/02/47/573000247.db2.gz MVPDEVZTQXUWCH-QWRGUYRKSA-N 0 0 178.275 2.980 10 30 AFEERN C=CCC[C@H](C)Sc1nccn1C 308219500 573000314 /nfs/dbraw/zinc/00/03/14/573000314.db2.gz BNELVYHMQWMFMF-VIFPVBQESA-N 0 0 196.319 2.867 10 30 AFEERN C=C(C)CCOc1ccc(O)cc1 141806986 573014054 /nfs/dbraw/zinc/01/40/54/573014054.db2.gz OVAYBJXEFBOVMC-UHFFFAOYSA-N 0 0 178.231 2.737 10 30 AFEERN C#CC[C@@](C=O)(CC)CCCC 238253285 573014111 /nfs/dbraw/zinc/01/41/11/573014111.db2.gz PTYAMLKBIJULKX-NSHDSACASA-N 0 0 166.264 2.795 10 30 AFEERN C=C[C@@]1(C(C)=O)C=CCC[C@H]1C 238442943 573588311 /nfs/dbraw/zinc/58/83/11/573588311.db2.gz UDSBIOYGHLGDMW-MWLCHTKSSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@](C#N)(CC#N)c1cccc(F)c1 259595050 573014214 /nfs/dbraw/zinc/01/42/14/573014214.db2.gz PSRYTRJIDDKMLR-LLVKDONJSA-N 0 0 188.205 2.521 10 30 AFEERN C[C@@H]1CCC[C@@H](COCC[C@@H]2CO2)C1 308475929 573014277 /nfs/dbraw/zinc/01/42/77/573014277.db2.gz DRBMFVKUNLMZGG-IJLUTSLNSA-N 0 0 198.306 2.618 10 30 AFEERN CC(C)C[C@@H](C#N)n1cccc1 259595393 573014560 /nfs/dbraw/zinc/01/45/60/573014560.db2.gz CGCKCSBYLNQMMK-JTQLQIEISA-N 0 0 162.236 2.599 10 30 AFEERN CC1=CC(=O)C2(CCCC2)CC1 238253640 573020156 /nfs/dbraw/zinc/02/01/56/573020156.db2.gz ISYKQIJOYNFDEY-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CC1CCC(OCCC[C@H]2CO2)CC1 308485189 573023573 /nfs/dbraw/zinc/02/35/73/573023573.db2.gz NFRHOCPBEIQWPA-MCIGGMRASA-N 0 0 198.306 2.761 10 30 AFEERN CCC[C@@H](O)CC#Cc1ccccc1 238254521 573023737 /nfs/dbraw/zinc/02/37/37/573023737.db2.gz NJRZCQYKFHBNKE-CYBMUJFWSA-N 0 0 188.270 2.589 10 30 AFEERN C=C[C@H](C)[C@H](C)C(=O)O[C@H](C)CC 308478038 573024557 /nfs/dbraw/zinc/02/45/57/573024557.db2.gz MKKVRBGUJQLIBM-AEJSXWLSSA-N 0 0 184.279 2.786 10 30 AFEERN CN[C@@H](S)c1cc(C)c(C)cc1C 259596378 573024594 /nfs/dbraw/zinc/02/45/94/573024594.db2.gz XYGSJZMAFNFSTR-NSHDSACASA-N 0 0 195.331 2.760 10 30 AFEERN CC1=CC(=O)[C@@H]2CCCC[C@@]12C 238255299 573024627 /nfs/dbraw/zinc/02/46/27/573024627.db2.gz KHRKMWQJWDELHQ-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@]1(CCCC)CCC1=O 238255394 573024999 /nfs/dbraw/zinc/02/49/99/573024999.db2.gz WBKCKSBEOVCAOR-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN CCN(C)N=C(C)Cc1ccsc1 308227523 573025000 /nfs/dbraw/zinc/02/50/00/573025000.db2.gz NLQLYMCMTBNSBY-UHFFFAOYSA-N 0 0 196.319 2.618 10 30 AFEERN C=C[C@H](C)[C@@H](C)C(=O)O[C@H](C)CC 308478040 573025170 /nfs/dbraw/zinc/02/51/70/573025170.db2.gz MKKVRBGUJQLIBM-IVZWLZJFSA-N 0 0 184.279 2.786 10 30 AFEERN Cc1ccc([C@H]2CC[C@H]2C=O)cc1 257833641 573591461 /nfs/dbraw/zinc/59/14/61/573591461.db2.gz KLBKMMGMWSNEJR-NWDGAFQWSA-N 0 0 174.243 2.688 10 30 AFEERN C=C[C@@H](C)Sc1nnc(C(C)C)o1 308228692 573027482 /nfs/dbraw/zinc/02/74/82/573027482.db2.gz FURKEXKAZHJXRE-SSDOTTSWSA-N 0 0 198.291 2.860 10 30 AFEERN CCCCC#Cc1ccccc1CO 141741514 573027551 /nfs/dbraw/zinc/02/75/51/573027551.db2.gz FIEFOXBAHCMYMN-UHFFFAOYSA-N 0 0 188.270 2.721 10 30 AFEERN C=CCC[C@H]1CC[C@H](O)C=C1C 238248317 573028613 /nfs/dbraw/zinc/02/86/13/573028613.db2.gz NTXZRTXINXVQGQ-QWRGUYRKSA-N 0 0 166.264 2.670 10 30 AFEERN CCOC1=CC(=O)C[C@H]2CCCC[C@H]12 238256645 573028710 /nfs/dbraw/zinc/02/87/10/573028710.db2.gz XJUXULMTUIFNQX-KOLCDFICSA-N 0 0 194.274 2.686 10 30 AFEERN N#Cc1cscc1CC1CC1 82404457 573028781 /nfs/dbraw/zinc/02/87/81/573028781.db2.gz NTFVNHFRTOOIMZ-UHFFFAOYSA-N 0 0 163.245 2.572 10 30 AFEERN Cc1cccc(-c2c[nH]c(C#N)c2)c1 259314393 573028953 /nfs/dbraw/zinc/02/89/53/573028953.db2.gz WDIVABKBHAEMKT-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN C=CC[C@@]12CCC[C@@H]1C(=O)C=C2C 238255996 573029025 /nfs/dbraw/zinc/02/90/25/573029025.db2.gz UCQZFJBJFCCLHX-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)c1ccsc1 308230460 573029987 /nfs/dbraw/zinc/02/99/87/573029987.db2.gz GJIUPHKUUGPTLQ-MRVPVSSYSA-N 0 0 196.271 2.870 10 30 AFEERN CC1=CC(C)(C)[C@H]2CCC[C@@H]2C1=O 238256629 573029945 /nfs/dbraw/zinc/02/99/45/573029945.db2.gz CPCTXDYRSGJFQQ-UWVGGRQHSA-N 0 0 178.275 2.958 10 30 AFEERN C=C1[C@@H](O)CC(C)(C)CC1(C)C 238248337 573030019 /nfs/dbraw/zinc/03/00/19/573030019.db2.gz KADQCILQZMJVRV-VIFPVBQESA-N 0 0 168.280 2.750 10 30 AFEERN CC(C)(C)Sc1ccncc1C#N 307001701 573030021 /nfs/dbraw/zinc/03/00/21/573030021.db2.gz AJECZAZHOXCFIJ-UHFFFAOYSA-N 0 0 192.287 2.844 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@@H]1C[C@@H]1C 308229968 573030040 /nfs/dbraw/zinc/03/00/40/573030040.db2.gz GEDISYJJVJLABU-GUBZILKMSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@H]1C[C@H]1C 308229969 573030095 /nfs/dbraw/zinc/03/00/95/573030095.db2.gz GEDISYJJVJLABU-KXUCPTDWSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)CNN=C(CCC)C1CC1 308405340 573592095 /nfs/dbraw/zinc/59/20/95/573592095.db2.gz JHKGEERAVPXOPQ-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN C=C(C)CC[C@H](NN)C1(CCC)CC1 308479197 573030195 /nfs/dbraw/zinc/03/01/95/573030195.db2.gz GALGPPWPZLQGRX-NSHDSACASA-N 0 0 196.338 2.755 10 30 AFEERN C=C(C)CC[C@@H](NN)C1(CCC)CC1 308479196 573030209 /nfs/dbraw/zinc/03/02/09/573030209.db2.gz GALGPPWPZLQGRX-LLVKDONJSA-N 0 0 196.338 2.755 10 30 AFEERN C=CC[C@]12CCC[C@@H]1C(=O)C=C2C 238255963 573030329 /nfs/dbraw/zinc/03/03/29/573030329.db2.gz UCQZFJBJFCCLHX-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN O=CC1CCC(c2cccnc2)CC1 259314352 573031791 /nfs/dbraw/zinc/03/17/91/573031791.db2.gz NWLKZAALOVVKMP-UHFFFAOYSA-N 0 0 189.258 2.554 10 30 AFEERN CCC[C@]1(C)CCC=CC1=O 238260547 573037834 /nfs/dbraw/zinc/03/78/34/573037834.db2.gz PFHXBBOXTSDWTL-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1ccc2[nH]cc(CS)c2c1 257936783 573051798 /nfs/dbraw/zinc/05/17/98/573051798.db2.gz UTBROTPRSRYBSR-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN C[C@]1(CSc2ccc(F)cc2)CO1 85502029 573051819 /nfs/dbraw/zinc/05/18/19/573051819.db2.gz LQDBQEGQXIOHNM-SNVBAGLBSA-N 0 0 198.262 2.707 10 30 AFEERN Cc1ccccc1SC[C@]1(C)CO1 85502107 573051882 /nfs/dbraw/zinc/05/18/82/573051882.db2.gz QJQSBRVMHANCSE-NSHDSACASA-N 0 0 194.299 2.876 10 30 AFEERN C=C1CC[C@@]2(C)CCC(=O)[C@@]12C 224816481 573051934 /nfs/dbraw/zinc/05/19/34/573051934.db2.gz VKOQSXSLLYFKNK-WDEREUQCSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=CC[C@@H]2C[C@@H](C=O)CC[C@@]12C 238259521 573047612 /nfs/dbraw/zinc/04/76/12/573047612.db2.gz SFDCDYJGVJQFQG-TUAOUCFPSA-N 0 0 178.275 2.958 10 30 AFEERN CCC(=O)c1ccc(CC)cc1C#N 307091348 573593880 /nfs/dbraw/zinc/59/38/80/573593880.db2.gz XGYCYXBWVYPMNZ-UHFFFAOYSA-N 0 0 187.242 2.713 10 30 AFEERN C=CCCCCCOC(=O)C1CC1 308249041 573051415 /nfs/dbraw/zinc/05/14/15/573051415.db2.gz DJSXVKKVGWSLED-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CSCCON=C1CC2(CCC2)C1 308249763 573051592 /nfs/dbraw/zinc/05/15/92/573051592.db2.gz AXMHODJPSHCOCY-UHFFFAOYSA-N 0 0 199.319 2.686 10 30 AFEERN CCCc1ccc([C@H](O)CS)cc1 259319393 573051598 /nfs/dbraw/zinc/05/15/98/573051598.db2.gz UEHBIJXWGILBPI-LLVKDONJSA-N 0 0 196.315 2.602 10 30 AFEERN C[C@@]1(COC2CCCCCC2)CO1 85501873 573051599 /nfs/dbraw/zinc/05/15/99/573051599.db2.gz AQAAJWZRWVBFLX-LLVKDONJSA-N 0 0 184.279 2.515 10 30 AFEERN C=C[C@](C)(CC)COC(=O)CCC 308248622 573051609 /nfs/dbraw/zinc/05/16/09/573051609.db2.gz ZTAHJJULGOWHHV-LLVKDONJSA-N 0 0 184.279 2.932 10 30 AFEERN O=CCc1cccc2ccsc12 88039042 573051656 /nfs/dbraw/zinc/05/16/56/573051656.db2.gz URBFXWLUHGWMCR-UHFFFAOYSA-N 0 0 176.240 2.643 10 30 AFEERN C[C@@]1(CSc2cccs2)CO1 85502076 573051737 /nfs/dbraw/zinc/05/17/37/573051737.db2.gz QJWRCCYIVOYENY-QMMMGPOBSA-N 0 0 186.301 2.629 10 30 AFEERN Cc1ccc([C@](C)(F)C=O)cc1C 257937117 573051745 /nfs/dbraw/zinc/05/17/45/573051745.db2.gz UIQATIUFJKJAOH-LLVKDONJSA-N 0 0 180.222 2.687 10 30 AFEERN C[C@@]1(CSc2ccccc2F)CO1 85502020 573051768 /nfs/dbraw/zinc/05/17/68/573051768.db2.gz DHARQYIHXILIIH-JTQLQIEISA-N 0 0 198.262 2.707 10 30 AFEERN CC[C@]1(C)C(=O)C(C)=CC[C@H]1C 238274741 573058330 /nfs/dbraw/zinc/05/83/30/573058330.db2.gz SCLTXJHQLDFZDI-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H]1CC=C(CCO)C[C@H]1C=C 308240969 573058409 /nfs/dbraw/zinc/05/84/09/573058409.db2.gz YKCDOWNHXRDRPQ-VXGBXAGGSA-N 0 0 178.275 2.693 10 30 AFEERN C=CCCOc1ccc(C=O)c(F)c1 238613550 573052138 /nfs/dbraw/zinc/05/21/38/573052138.db2.gz MYQNKMSHXSDSFA-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN CC(C)=N[C@H](CCO)c1ccccc1 308487927 573057858 /nfs/dbraw/zinc/05/78/58/573057858.db2.gz NQLCWRILSIBSPN-GFCCVEGCSA-N 0 0 191.274 2.591 10 30 AFEERN C=CC(=C)[C@@H]1CCC[C@@H]1[C@H](O)C=C 308239639 573057884 /nfs/dbraw/zinc/05/78/84/573057884.db2.gz XMHCUMFCCMXYRV-SDDRHHMPSA-N 0 0 178.275 2.692 10 30 AFEERN CC1=C(C)[C@@H](C=O)[C@@H](C)CC1 114148039 573057913 /nfs/dbraw/zinc/05/79/13/573057913.db2.gz IICAKMKYYHFCBE-WPRPVWTQSA-N 0 0 152.237 2.568 10 30 AFEERN COc1ccc(F)cc1[C@H](C)CC=O 107186613 573057953 /nfs/dbraw/zinc/05/79/53/573057953.db2.gz KFQICBIEAGLFML-MRVPVSSYSA-N 0 0 196.221 2.527 10 30 AFEERN C=C([C@H](O)CC1CCC1)C(F)(F)F 308239651 573057994 /nfs/dbraw/zinc/05/79/94/573057994.db2.gz XNDZBUXOAQLSJX-MRVPVSSYSA-N 0 0 194.196 2.656 10 30 AFEERN CC(C)c1cc(F)c(F)c(C#N)c1 257938367 573058006 /nfs/dbraw/zinc/05/80/06/573058006.db2.gz CUXOYDJVPHRBCA-UHFFFAOYSA-N 0 0 181.185 2.960 10 30 AFEERN CCCC=NNC1CCC(C)CC1 308240938 573058079 /nfs/dbraw/zinc/05/80/79/573058079.db2.gz SSVZHHQMTLLREX-UHFFFAOYSA-N 0 0 182.311 2.941 10 30 AFEERN C=C[C@@]1(C)CCc2ccccc2[C@H]1O 209696898 573058101 /nfs/dbraw/zinc/05/81/01/573058101.db2.gz YTVLJLOHAJNGLF-OLZOCXBDSA-N 0 0 188.270 2.859 10 30 AFEERN CC1([C@@H](O)C2(C#N)CCCC2)CCC1 686130640 573058183 /nfs/dbraw/zinc/05/81/83/573058183.db2.gz GZLNWXUAMOOUMG-SNVBAGLBSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@]1(C2CCCC2)CC=CC1=O 141881405 573058220 /nfs/dbraw/zinc/05/82/20/573058220.db2.gz TWYAWKZHHZCDOA-LLVKDONJSA-N 0 0 164.248 2.712 10 30 AFEERN N#C[C@H]1CCOCC12CCCCCC2 259520719 573595272 /nfs/dbraw/zinc/59/52/72/573595272.db2.gz AUBSZIQZSWWASK-LLVKDONJSA-N 0 0 193.290 2.887 10 30 AFEERN Cc1cc(C)cc(-c2n[nH]cc2C#N)c1 259524645 573595157 /nfs/dbraw/zinc/59/51/57/573595157.db2.gz BCISUZQRVPEMPO-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN Cc1cc2oc(C#N)cc2c(C)c1N 259321143 573063036 /nfs/dbraw/zinc/06/30/36/573063036.db2.gz AYUYTXJFLBZQTM-UHFFFAOYSA-N 0 0 186.214 2.504 10 30 AFEERN C=CC[C@H](CC)OC(=O)/C(C)=C/C 308243742 573063099 /nfs/dbraw/zinc/06/30/99/573063099.db2.gz UBBIPZYQYCKKQD-ZKXNXJMVSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H](CC)OC(=O)/C(C)=C\C 308243739 573063126 /nfs/dbraw/zinc/06/31/26/573063126.db2.gz UBBIPZYQYCKKQD-ABRRARGCSA-N 0 0 182.263 2.851 10 30 AFEERN Cc1cc(F)c2nc(C#N)sc2c1 306490473 573063292 /nfs/dbraw/zinc/06/32/92/573063292.db2.gz MTBBUPLIJDUVTF-UHFFFAOYSA-N 0 0 192.218 2.616 10 30 AFEERN CCCNN=C1CC[C@H](C2CC2)C1 308492458 573063490 /nfs/dbraw/zinc/06/34/90/573063490.db2.gz RSASUSYUNXBQJD-JTQLQIEISA-N 0 0 180.295 2.552 10 30 AFEERN C=C[C@H]1CC[C@@H](CC)[C@@H]1C(C)=O 238265486 573063508 /nfs/dbraw/zinc/06/35/08/573063508.db2.gz LKNVWUGEMUQCNF-HBNTYKKESA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@H]1CC[C@H](C=NOC2CCC2)C1 308251712 573081272 /nfs/dbraw/zinc/08/12/72/573081272.db2.gz BMVGWQKANOCIEO-ZJUUUORDSA-N 0 0 181.279 2.978 10 30 AFEERN CSc1ccccc1O[C@@H](C)C#N 82504219 573081357 /nfs/dbraw/zinc/08/13/57/573081357.db2.gz UJIZRAZDPCZTKW-QMMMGPOBSA-N 0 0 193.271 2.699 10 30 AFEERN C=CCCCC(=O)OC[C@H](F)CC 308246625 573069148 /nfs/dbraw/zinc/06/91/48/573069148.db2.gz WNPZITMSUCNLPX-SECBINFHSA-N 0 0 188.242 2.634 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@H](C)C(C)C 308246556 573069215 /nfs/dbraw/zinc/06/92/15/573069215.db2.gz WKRJPJIMXIFIFG-ZJUUUORDSA-N 0 0 184.279 2.786 10 30 AFEERN C=C(C)CCOC(=O)[C@H]1CC1(C)C 308251924 573081397 /nfs/dbraw/zinc/08/13/97/573081397.db2.gz GDHOBSYPQTVDOL-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H](C)C1CC1 308247231 573072319 /nfs/dbraw/zinc/07/23/19/573072319.db2.gz XGLSBSAMJYENFL-WPRPVWTQSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@@H]1C=O 88133597 573081424 /nfs/dbraw/zinc/08/14/24/573081424.db2.gz AIFCBCSDMHFZBD-DTWKUNHWSA-N 0 0 154.253 2.648 10 30 AFEERN C=C[C@@H](OC(=O)[C@@H](C)CC)C1CC1 308251047 573081172 /nfs/dbraw/zinc/08/11/72/573081172.db2.gz BBHKWITZHNNIIK-WCBMZHEXSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)CNN=C[C@@H]1CC[C@H](C)C1 308252048 573081176 /nfs/dbraw/zinc/08/11/76/573081176.db2.gz BUAGWDPWEIFUGZ-WDEREUQCSA-N 0 0 180.295 2.574 10 30 AFEERN Cc1cc([C@@H](C)CC=O)cc(N)c1C 259324200 573088304 /nfs/dbraw/zinc/08/83/04/573088304.db2.gz GEQQOVHQYCMBCK-QMMMGPOBSA-N 0 0 191.274 2.578 10 30 AFEERN CC[C@H](C)[C@H]1CC=CC(=O)C1 238273401 573088306 /nfs/dbraw/zinc/08/83/06/573088306.db2.gz AOCBHSOBPRQXMC-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@]1(C=O)CC=C(C)CC1 238275154 573088368 /nfs/dbraw/zinc/08/83/68/573088368.db2.gz WHBNRTAKTVKXRR-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cc([C@H](C)CC=O)cc(N)c1C 259324197 573090975 /nfs/dbraw/zinc/09/09/75/573090975.db2.gz GEQQOVHQYCMBCK-MRVPVSSYSA-N 0 0 191.274 2.578 10 30 AFEERN CC#C[C@@H]([C@H](O)C(C)C)[Si](C)(C)C 222626916 573091051 /nfs/dbraw/zinc/09/10/51/573091051.db2.gz FUXDTHWSOBNUQD-WDEREUQCSA-N 0 0 198.382 2.735 10 30 AFEERN C[C@@H]1CC[C@@]1(C#N)c1ccccc1 85629767 573091408 /nfs/dbraw/zinc/09/14/08/573091408.db2.gz IVECVJWSQVJWBA-PWSUYJOCSA-N 0 0 171.243 2.878 10 30 AFEERN C[C@H]1CC[C@@]1(C#N)c1ccccc1 85629770 573092751 /nfs/dbraw/zinc/09/27/51/573092751.db2.gz IVECVJWSQVJWBA-JQWIXIFHSA-N 0 0 171.243 2.878 10 30 AFEERN CCc1ccc(C(F)(F)C=O)cc1 257940950 573103210 /nfs/dbraw/zinc/10/32/10/573103210.db2.gz VBBMNXFNUFPCCL-UHFFFAOYSA-N 0 0 184.185 2.540 10 30 AFEERN C=C[C@H](C)[C@H](C)C(=O)OCCCC 308228641 573106895 /nfs/dbraw/zinc/10/68/95/573106895.db2.gz NXECLVFPVVMTDT-UWVGGRQHSA-N 0 0 184.279 2.788 10 30 AFEERN C[C@H]1c2ccccc2CC[C@H]1CC=O 238457585 573597921 /nfs/dbraw/zinc/59/79/21/573597921.db2.gz RLOXSIQAALNRSV-MNOVXSKESA-N 0 0 188.270 2.942 10 30 AFEERN C=C[C@@H]1CC(C)(C)[C@H](C)[C@@H]1C=O 238456890 573597928 /nfs/dbraw/zinc/59/79/28/573597928.db2.gz XQLOFLCCTFICMO-BBBLOLIVSA-N 0 0 166.264 2.670 10 30 AFEERN C/C=C\COCc1ccc(C#N)cc1 220361453 573135044 /nfs/dbraw/zinc/13/50/44/573135044.db2.gz STBFEQNKUYNCEQ-IHWYPQMZSA-N 0 0 187.242 2.651 10 30 AFEERN C=C[C@H](C)OC(=O)c1ccc(C)s1 308280708 573137673 /nfs/dbraw/zinc/13/76/73/573137673.db2.gz WUWALDMFNHQYTA-ZETCQYMHSA-N 0 0 196.271 2.788 10 30 AFEERN CC(C)(C=O)C[C@H]1CC[C@H](C2CC2)O1 715498075 573137754 /nfs/dbraw/zinc/13/77/54/573137754.db2.gz RZSPFMBJNWOQDQ-GHMZBOCLSA-N 0 0 196.290 2.559 10 30 AFEERN CC[C@H](C=O)C1C=CC=CC=C1 238290773 573147016 /nfs/dbraw/zinc/14/70/16/573147016.db2.gz QSTZPHQCHBJKGU-SNVBAGLBSA-N 0 0 162.232 2.510 10 30 AFEERN C#CCc1nc2ccccc2n1CCC 94167320 573151118 /nfs/dbraw/zinc/15/11/18/573151118.db2.gz GISSGWVIGLXIGD-UHFFFAOYSA-N 0 0 198.269 2.622 10 30 AFEERN CCS[C@H]1C=C(C)CC[C@@H]1C=O 238291465 573150947 /nfs/dbraw/zinc/15/09/47/573150947.db2.gz UHCLMTQXGXIYPX-ZJUUUORDSA-N 0 0 184.304 2.663 10 30 AFEERN N#CC1(C2(O)CCCCC2)CCCC1 85879781 573183314 /nfs/dbraw/zinc/18/33/14/573183314.db2.gz VHCUHTHGFAFIFM-UHFFFAOYSA-N 0 0 193.290 2.766 10 30 AFEERN Cc1ccc(C[C@@H](C)C=O)cc1C 82762881 573183315 /nfs/dbraw/zinc/18/33/15/573183315.db2.gz XLNHLEJOGXHNSO-SECBINFHSA-N 0 0 176.259 2.681 10 30 AFEERN C[C@H](C=O)Cc1cnc2ccccc2c1 82762760 573183332 /nfs/dbraw/zinc/18/33/32/573183332.db2.gz JRFCMDKJGKYGET-JTQLQIEISA-N 0 0 199.253 2.612 10 30 AFEERN CC(C)(C#N)[C@](C)(O)c1cccs1 85883121 573183400 /nfs/dbraw/zinc/18/34/00/573183400.db2.gz CZLXOBIIBXZGGX-SNVBAGLBSA-N 0 0 195.287 2.505 10 30 AFEERN CC[C@@]1(C#N)CCCCCCC1=O 238305677 573183423 /nfs/dbraw/zinc/18/34/23/573183423.db2.gz RCUQNSHLNIKNFH-NSHDSACASA-N 0 0 179.263 2.830 10 30 AFEERN CCC(O)(CC)[C@@]1(C#N)CC[C@@H](C)C1 85881560 573183437 /nfs/dbraw/zinc/18/34/37/573183437.db2.gz YFAYYHKFCYAJQE-MNOVXSKESA-N 0 0 195.306 2.867 10 30 AFEERN CCC1CCC(O)([C@@H](C#N)CC)CC1 85880192 573183445 /nfs/dbraw/zinc/18/34/45/573183445.db2.gz WAUKBPPPRBJAQA-MOENNCHZSA-N 0 0 195.306 2.867 10 30 AFEERN CCON=C(C)CCc1ccco1 308295152 573183446 /nfs/dbraw/zinc/18/34/46/573183446.db2.gz HSURYRMWBVOEGL-UHFFFAOYSA-N 0 0 181.235 2.625 10 30 AFEERN C[C@@H]1CCCC[C@]1(O)C1(C#N)CCC1 85880298 573183456 /nfs/dbraw/zinc/18/34/56/573183456.db2.gz YBYKSQZRXIDTFN-ZYHUDNBSSA-N 0 0 193.290 2.621 10 30 AFEERN C=CCCCC(=O)OC1(C)CCC1 308299834 573164262 /nfs/dbraw/zinc/16/42/62/573164262.db2.gz LHBACZCZEJOUEA-UHFFFAOYSA-N 0 0 182.263 2.829 10 30 AFEERN Cc1cc(C)c([C@H](O)CC#N)c(C)c1 85878455 573179556 /nfs/dbraw/zinc/17/95/56/573179556.db2.gz ZWXGMEMPOVGEOM-LLVKDONJSA-N 0 0 189.258 2.559 10 30 AFEERN C[C@@H]1CCC[C@](O)(C2(C#N)CCC2)C1 85879985 573183504 /nfs/dbraw/zinc/18/35/04/573183504.db2.gz YAXSIHNHONYIMB-ZYHUDNBSSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H](O)CC#C/C=C/C(C)(C)C 238305852 573183032 /nfs/dbraw/zinc/18/30/32/573183032.db2.gz VDZOCNPWFCOWHF-UQSGXBNBSA-N 0 0 180.291 2.753 10 30 AFEERN CC[C@@H](C#N)C1(O)CCCCCC1 85880480 573183051 /nfs/dbraw/zinc/18/30/51/573183051.db2.gz JBJORAROXHGSLF-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN CC[C@@](C)(C#N)C1(O)CCC(C)CC1 85880068 573183055 /nfs/dbraw/zinc/18/30/55/573183055.db2.gz GUMKIJRGEKUWNH-CXQJBGSLSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H](C=O)CCC1CCCC1 82762919 573183061 /nfs/dbraw/zinc/18/30/61/573183061.db2.gz YVJNXXOVYVAEMS-SECBINFHSA-N 0 0 154.253 2.792 10 30 AFEERN Cc1ccc(F)c(C[C@@H](C)C=O)c1 82762786 573183074 /nfs/dbraw/zinc/18/30/74/573183074.db2.gz OCHOUNUXKBTNBL-SECBINFHSA-N 0 0 180.222 2.512 10 30 AFEERN CCC1CCC(C#N)(C(C)(C)O)CC1 85881331 573183108 /nfs/dbraw/zinc/18/31/08/573183108.db2.gz JSEWSIHDXSTIFQ-UHFFFAOYSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1cccc([C@@](C)(F)C=O)c1C 257960786 573183127 /nfs/dbraw/zinc/18/31/27/573183127.db2.gz XHQKEXWBRWHWML-NSHDSACASA-N 0 0 180.222 2.687 10 30 AFEERN Cc1cc(F)ccc1C[C@H](C)C=O 82762785 573183134 /nfs/dbraw/zinc/18/31/34/573183134.db2.gz QKTIBLRCLFCTEB-QMMMGPOBSA-N 0 0 180.222 2.512 10 30 AFEERN CC1CCC(O)(C2(C#N)CCC2)CC1 85880113 573183139 /nfs/dbraw/zinc/18/31/39/573183139.db2.gz HKBQZQBDGDPECD-UHFFFAOYSA-N 0 0 193.290 2.621 10 30 AFEERN C=CCC(=O)C1(OCC)CCCCC1 159394323 573183147 /nfs/dbraw/zinc/18/31/47/573183147.db2.gz OTTYDXQOXSOHAE-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN N#CC1(C2(O)CCCCCC2)CCC1 85880500 573183224 /nfs/dbraw/zinc/18/32/24/573183224.db2.gz OJGCTFARJJLNKD-UHFFFAOYSA-N 0 0 193.290 2.766 10 30 AFEERN C[C@@H](C=O)Cc1cnc2ccccc2c1 82762761 573183226 /nfs/dbraw/zinc/18/32/26/573183226.db2.gz JRFCMDKJGKYGET-SNVBAGLBSA-N 0 0 199.253 2.612 10 30 AFEERN Cc1ccc(F)c(C[C@H](C)C=O)c1 82762787 573183245 /nfs/dbraw/zinc/18/32/45/573183245.db2.gz OCHOUNUXKBTNBL-VIFPVBQESA-N 0 0 180.222 2.512 10 30 AFEERN C[C@@](O)(C1CC1)C1(C#N)CCCCC1 85881815 573183265 /nfs/dbraw/zinc/18/32/65/573183265.db2.gz KZEQBRDCXGGZSG-LLVKDONJSA-N 0 0 193.290 2.621 10 30 AFEERN CC(C)C[C@@H](CC=O)C(C)(F)F 257959310 573196241 /nfs/dbraw/zinc/19/62/41/573196241.db2.gz XGFAPPVZBWWKNL-MRVPVSSYSA-N 0 0 178.222 2.893 10 30 AFEERN Cc1cc([C@H](O)[C@H](C)C#N)c(C)s1 85889650 573195284 /nfs/dbraw/zinc/19/52/84/573195284.db2.gz JMBUFGYQUANLJA-LHLIQPBNSA-N 0 0 195.287 2.558 10 30 AFEERN C=C(CC)COC(=O)C[C@@H]1C[C@@H]1C 308301516 573195304 /nfs/dbraw/zinc/19/53/04/573195304.db2.gz MFBZNVWHLIBFBC-UWVGGRQHSA-N 0 0 182.263 2.542 10 30 AFEERN CC[C@@H]1CCCC[C@]1(O)C(C)(C)C#N 85894036 573195392 /nfs/dbraw/zinc/19/53/92/573195392.db2.gz LBJVBXYVARLWCD-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN CCCC1CCC(C#N)([C@@H](C)O)CC1 85891065 573195415 /nfs/dbraw/zinc/19/54/15/573195415.db2.gz MOUUGAOHCNTOFI-VOMCLLRMSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)C[C@H](O)C1(C#N)CCCCC1 85890544 573195459 /nfs/dbraw/zinc/19/54/59/573195459.db2.gz RVUFRYRHKGJUCF-NSHDSACASA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCC/C=C/CO[C@H](CC)CO 238310444 573195557 /nfs/dbraw/zinc/19/55/57/573195557.db2.gz WTVMJQCGANNZJL-IDVQTMNDSA-N 0 0 198.306 2.686 10 30 AFEERN CCSc1cccc(C#N)c1C 238302595 573195567 /nfs/dbraw/zinc/19/55/67/573195567.db2.gz FHFJLMMDXWZBLO-UHFFFAOYSA-N 0 0 177.272 2.979 10 30 AFEERN C/C=C(\CCC=O)[Si](C)(C)C 224849795 573195597 /nfs/dbraw/zinc/19/55/97/573195597.db2.gz NYUMMGPRXWMDCA-WEVVVXLNSA-N 0 0 170.328 2.789 10 30 AFEERN CCC1CCC(C#N)([C@H](O)CC)CC1 85891480 573195662 /nfs/dbraw/zinc/19/56/62/573195662.db2.gz KVVQFQFACRKTSB-MOENNCHZSA-N 0 0 195.306 2.867 10 30 AFEERN CCSc1cccc(C#N)c1C#N 238302605 573195666 /nfs/dbraw/zinc/19/56/66/573195666.db2.gz OFQKLOAWHPGHRF-UHFFFAOYSA-N 0 0 188.255 2.542 10 30 AFEERN CCC[C@@H](O)C1(C#N)CCCCC1 85890317 573195676 /nfs/dbraw/zinc/19/56/76/573195676.db2.gz NXWVOTBZNXNVEU-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN CC(C)(C)C[C@@H](O)C1(C#N)CCCC1 85892779 573195728 /nfs/dbraw/zinc/19/57/28/573195728.db2.gz QREQXTYXCLOQNN-SNVBAGLBSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H]1CCC[C@@](C#N)([C@H](O)CC)C1 85891245 573195759 /nfs/dbraw/zinc/19/57/59/573195759.db2.gz GJEJHLNPGFPHFP-IJLUTSLNSA-N 0 0 195.306 2.867 10 30 AFEERN CCC[C@@H](O)C1(C#N)CCC(C)CC1 85890310 573195764 /nfs/dbraw/zinc/19/57/64/573195764.db2.gz ORUZFQPHFVXLAZ-MOENNCHZSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](O)[C@@H](C)C#CC1=CCCCC1 238309729 573195786 /nfs/dbraw/zinc/19/57/86/573195786.db2.gz ZKQRCBFBBICWRU-AAEUAGOBSA-N 0 0 192.302 2.897 10 30 AFEERN CC[C@@H]1CCCC[C@@]1(O)C(C)(C)C#N 85894039 573195816 /nfs/dbraw/zinc/19/58/16/573195816.db2.gz LBJVBXYVARLWCD-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H](C#N)CNc1cccc(F)c1 258577725 573195830 /nfs/dbraw/zinc/19/58/30/573195830.db2.gz DVXZTLUGHFFODM-VIFPVBQESA-N 0 0 192.237 2.787 10 30 AFEERN CC[C@H]1CCCC[C@]1(O)C(C)(C)C#N 85894037 573195831 /nfs/dbraw/zinc/19/58/31/573195831.db2.gz LBJVBXYVARLWCD-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)[C@H]1CC=CCC1 85890638 573195847 /nfs/dbraw/zinc/19/58/47/573195847.db2.gz FLYCWJYKABWMPI-QJPTWQEYSA-N 0 0 193.290 2.643 10 30 AFEERN CC[C@H](C#N)CNc1cccc(F)c1 258577723 573195879 /nfs/dbraw/zinc/19/58/79/573195879.db2.gz DVXZTLUGHFFODM-SECBINFHSA-N 0 0 192.237 2.787 10 30 AFEERN CC(C)(C)C1CCC(C#N)(CO)CC1 85893141 573195959 /nfs/dbraw/zinc/19/59/59/573195959.db2.gz SCFFNGHSOYKOTN-UHFFFAOYSA-N 0 0 195.306 2.725 10 30 AFEERN Cc1ccc(O)c([C@@H](C)CC=O)c1F 257966967 573195964 /nfs/dbraw/zinc/19/59/64/573195964.db2.gz CGGWEIIZBPUWDO-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN CC[C@H]1CCC[C@@](O)(C(C)(C)C#N)C1 85893964 573196004 /nfs/dbraw/zinc/19/60/04/573196004.db2.gz PVCYGEYTKVLFEP-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@@H](C)Sc1nccn1C1CC1 308305339 573196207 /nfs/dbraw/zinc/19/62/07/573196207.db2.gz OBYKNYCXTPSOME-MRVPVSSYSA-N 0 0 194.303 2.885 10 30 AFEERN CC1(C)CCC(O)(C(C)(C)C#N)CC1 85894113 573196227 /nfs/dbraw/zinc/19/62/27/573196227.db2.gz HPAJRBGMBBGDDP-UHFFFAOYSA-N 0 0 195.306 2.867 10 30 AFEERN Nc1cccc2sc(CS)cc12 257967214 573196236 /nfs/dbraw/zinc/19/62/36/573196236.db2.gz IHMQKXCUDUFLAY-UHFFFAOYSA-N 0 0 195.312 2.913 10 30 AFEERN C=C(C)c1ccc2c(c1)N(C)CC2 238313712 573211633 /nfs/dbraw/zinc/21/16/33/573211633.db2.gz HGIRQMQOHZTCTQ-UHFFFAOYSA-N 0 0 173.259 2.712 10 30 AFEERN Cc1ccc(N)cc1S[C@@H](C)C#N 85935027 573211683 /nfs/dbraw/zinc/21/16/83/573211683.db2.gz KARPFMLOKGMXAT-QMMMGPOBSA-N 0 0 192.287 2.581 10 30 AFEERN Cc1cc(S[C@@H](C)C#N)ccc1N 85931753 573211808 /nfs/dbraw/zinc/21/18/08/573211808.db2.gz CZJFZVMRWIFXJT-QMMMGPOBSA-N 0 0 192.287 2.581 10 30 AFEERN Cc1cccc(S[C@@H](C)C#N)c1N 85937042 573211817 /nfs/dbraw/zinc/21/18/17/573211817.db2.gz RBTKVROAFQCCOB-QMMMGPOBSA-N 0 0 192.287 2.581 10 30 AFEERN CC(C)Oc1ccc(F)c(CC#N)c1 223609909 573211844 /nfs/dbraw/zinc/21/18/44/573211844.db2.gz QDKLINYMZNBBJY-UHFFFAOYSA-N 0 0 193.221 2.679 10 30 AFEERN Cc1cc(C)cc(-c2conc2C#N)c1 686135018 573211915 /nfs/dbraw/zinc/21/19/15/573211915.db2.gz ZKYMKZZDORJCOL-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN CC(C)c1ccc(O)c(CCC=O)c1 257970984 573211918 /nfs/dbraw/zinc/21/19/18/573211918.db2.gz CTXKMVUQNHZSNR-UHFFFAOYSA-N 0 0 192.258 2.647 10 30 AFEERN COc1c(C#N)cccc1C(C)(F)F 257971088 573212325 /nfs/dbraw/zinc/21/23/25/573212325.db2.gz CWDMFETYQUMMNS-UHFFFAOYSA-N 0 0 197.184 2.679 10 30 AFEERN Cc1cc(/C(Cl)=N/O)c(C)s1 235737577 573212368 /nfs/dbraw/zinc/21/23/68/573212368.db2.gz XOSFWQDCQTTXLU-CLFYSBASSA-N 0 0 189.667 2.740 10 30 AFEERN C=C(C)COC(=O)/C=C/C(C)=C\C 308308809 573212391 /nfs/dbraw/zinc/21/23/91/573212391.db2.gz PUMSVVLGVMQRAN-BAGHCZIJSA-N 0 0 180.247 2.628 10 30 AFEERN CCO[C@@H]1C[C@H](C)CC[C@H]1CC#N 259603591 573214894 /nfs/dbraw/zinc/21/48/94/573214894.db2.gz FJNUBCZLZKDMOU-OUAUKWLOSA-N 0 0 181.279 2.741 10 30 AFEERN CC[C@@H](C#N)c1ccc2ncoc2c1 259378085 573214941 /nfs/dbraw/zinc/21/49/41/573214941.db2.gz VOBOZHNXUKXWMW-QMMMGPOBSA-N 0 0 186.214 2.845 10 30 AFEERN Fc1cccc(NCCCS)c1 258587350 573215007 /nfs/dbraw/zinc/21/50/07/573215007.db2.gz FWDDVEZFHHWOFZ-UHFFFAOYSA-N 0 0 185.267 2.558 10 30 AFEERN CC[C@H](C#N)Cc1nc(C)cs1 259379859 573215111 /nfs/dbraw/zinc/21/51/11/573215111.db2.gz TYVCPDLVKLFPLH-QMMMGPOBSA-N 0 0 180.276 2.544 10 30 AFEERN C=C[C@H](C=C(C)C)[C@@H](O)CC 238313608 573215181 /nfs/dbraw/zinc/21/51/81/573215181.db2.gz LAXHOIAFZIWAKF-ZJUUUORDSA-N 0 0 154.253 2.526 10 30 AFEERN CC[C@H](C)n1cc(C#N)c2ncccc21 259377437 573215244 /nfs/dbraw/zinc/21/52/44/573215244.db2.gz OOKKMMHFZRIRAR-VIFPVBQESA-N 0 0 199.257 2.879 10 30 AFEERN C[C@H]1CSc2cc(CC=O)ccc21 257974331 573215411 /nfs/dbraw/zinc/21/54/11/573215411.db2.gz GSYQDDDIATVGQN-QMMMGPOBSA-N 0 0 192.283 2.637 10 30 AFEERN C[C@@H](F)c1ccccc1CCC=O 257974472 573215463 /nfs/dbraw/zinc/21/54/63/573215463.db2.gz IUHPSLZZALBBDU-SECBINFHSA-N 0 0 180.222 2.849 10 30 AFEERN C=C[C@H](C)Nc1ccc(C)cc1C#N 235542413 573215529 /nfs/dbraw/zinc/21/55/29/573215529.db2.gz WEMVAXABJWEPKY-JTQLQIEISA-N 0 0 186.258 2.853 10 30 AFEERN C=C1[C@@H](CC(C)=O)[C@@]1(C)CC 238308529 573216907 /nfs/dbraw/zinc/21/69/07/573216907.db2.gz YZAPXZCVPJLOAI-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCOC(=O)CC1(C)CCCC1 308319687 573216939 /nfs/dbraw/zinc/21/69/39/573216939.db2.gz XVCMPCUBSUSNES-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CC(C)c1nc(C#N)c(C(C)C)[nH]1 77595010 573217000 /nfs/dbraw/zinc/21/70/00/573217000.db2.gz WKRQTKVHWNPATB-UHFFFAOYSA-N 0 0 177.251 2.528 10 30 AFEERN C=C1[C@H](CC(C)=O)[C@@]1(C)CC 238308215 573217002 /nfs/dbraw/zinc/21/70/02/573217002.db2.gz YZAPXZCVPJLOAI-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H](C)[C@@H](C)CC 308313877 573217191 /nfs/dbraw/zinc/21/71/91/573217191.db2.gz TYSHJMHFSCODNW-LPEHRKFASA-N 0 0 184.279 2.786 10 30 AFEERN C[C@H](F)c1ccccc1CCC=O 257974473 573217200 /nfs/dbraw/zinc/21/72/00/573217200.db2.gz IUHPSLZZALBBDU-VIFPVBQESA-N 0 0 180.222 2.849 10 30 AFEERN CC[C@@]1(C=O)CC=C(C)CC1 238308869 573217334 /nfs/dbraw/zinc/21/73/34/573217334.db2.gz WHBNRTAKTVKXRR-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C1[C@@H]2CCC(=O)[C@H]2CC1(C)C 197205135 573217341 /nfs/dbraw/zinc/21/73/41/573217341.db2.gz CDGRQBLQHQOEGI-IUCAKERBSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@H]1C[C@H](C#N)CC[C@H]1C 82836408 573223248 /nfs/dbraw/zinc/22/32/48/573223248.db2.gz YJVGNQLRSCOXHP-HRDYMLBCSA-N 0 0 137.226 2.582 10 30 AFEERN CCc1ccccc1C1(C#N)CC1 238309194 573223294 /nfs/dbraw/zinc/22/32/94/573223294.db2.gz CHDQQONBSIOZIX-UHFFFAOYSA-N 0 0 171.243 2.804 10 30 AFEERN CC[C@H]1C[C@@H](CC)C(=O)C=C1C 238320668 573222446 /nfs/dbraw/zinc/22/24/46/573222446.db2.gz PXTMNDRAPLXJKU-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CCC[C@@H](C#N)[C@@](O)(CCC)C1CC1 308518116 573222657 /nfs/dbraw/zinc/22/26/57/573222657.db2.gz GJHSYCFTJGEXGI-NWDGAFQWSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1ccc(F)c(F)c1 259036958 573222729 /nfs/dbraw/zinc/22/27/29/573222729.db2.gz SGGRPUNHVGHKKL-GZMMTYOYSA-N 0 0 193.196 2.982 10 30 AFEERN CCc1cc(C)ccc1[C@H](C)C=O 238320940 573222892 /nfs/dbraw/zinc/22/28/92/573222892.db2.gz DHLLBSADKRJMKA-SNVBAGLBSA-N 0 0 176.259 2.860 10 30 AFEERN Cc1ccc(-c2[nH]cc(O)c2C#N)cc1 259382065 573222911 /nfs/dbraw/zinc/22/29/11/573222911.db2.gz IIYYXTNZXLKCPA-UHFFFAOYSA-N 0 0 198.225 2.567 10 30 AFEERN C=C(C)Cc1ccc(O)c(N(C)C)c1 238309092 573222961 /nfs/dbraw/zinc/22/29/61/573222961.db2.gz LSACIVSKOUMRJT-UHFFFAOYSA-N 0 0 191.274 2.577 10 30 AFEERN CCc1cc(C)ccc1[C@@H](C)C=O 238320896 573222978 /nfs/dbraw/zinc/22/29/78/573222978.db2.gz DHLLBSADKRJMKA-JTQLQIEISA-N 0 0 176.259 2.860 10 30 AFEERN CC1=C[C@H]2CCCC[C@@H]2CC1=O 224846777 573223064 /nfs/dbraw/zinc/22/30/64/573223064.db2.gz UBCXDBJZCIXMCY-NXEZZACHSA-N 0 0 164.248 2.712 10 30 AFEERN CC1(C)Oc2c(C#N)cccc2S1 257974889 573223085 /nfs/dbraw/zinc/22/30/85/573223085.db2.gz DDQROSRBLUHPBY-UHFFFAOYSA-N 0 0 191.255 2.779 10 30 AFEERN O=C[C@H]1CCSc2c(F)cccc21 107432462 573600487 /nfs/dbraw/zinc/60/04/87/573600487.db2.gz DHAGKBBAUWFJHB-SSDOTTSWSA-N 0 0 196.246 2.604 10 30 AFEERN CC[C@@H](C#N)CN(C)c1ccc(C)o1 259038185 573228576 /nfs/dbraw/zinc/22/85/76/573228576.db2.gz RAORVEPDBADIHV-JTQLQIEISA-N 0 0 192.262 2.574 10 30 AFEERN O=C[C@H]1CCSc2cc(F)ccc21 107432467 573600495 /nfs/dbraw/zinc/60/04/95/573600495.db2.gz UAJQAKZAYUMNTG-SSDOTTSWSA-N 0 0 196.246 2.604 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CC[C@H](C)[C@H](C)C1 82846293 573228939 /nfs/dbraw/zinc/22/89/39/573228939.db2.gz MXGRFGHTQUZAOM-IRCOFANPSA-N 0 0 194.322 2.703 10 30 AFEERN CCCCCNN=C1CC[C@H](C)C1 393510548 573229069 /nfs/dbraw/zinc/22/90/69/573229069.db2.gz XWZRCHWFKQUZMH-JTQLQIEISA-N 0 0 182.311 2.942 10 30 AFEERN C#CCON=C(C)[C@@H](C)CCCC 308323358 573236930 /nfs/dbraw/zinc/23/69/30/573236930.db2.gz CZRYOQMCLPJUKV-JTQLQIEISA-N 0 0 181.279 2.838 10 30 AFEERN C=C(C)C(=O)[C@H]1CC[C@@H](CC)C1 86023558 573236963 /nfs/dbraw/zinc/23/69/63/573236963.db2.gz FYEKMGXEMCZWBH-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C#CCON=C(C)[C@H](C)CCCC 308323359 573236236 /nfs/dbraw/zinc/23/62/36/573236236.db2.gz CZRYOQMCLPJUKV-SNVBAGLBSA-N 0 0 181.279 2.838 10 30 AFEERN C=C(C)C(=O)Cc1ccc(C)c(C)c1 86022758 573236270 /nfs/dbraw/zinc/23/62/70/573236270.db2.gz FGRFTVMNXDSROT-UHFFFAOYSA-N 0 0 188.270 2.991 10 30 AFEERN C=C(CC=O)c1cccc(C)c1 258244266 573236294 /nfs/dbraw/zinc/23/62/94/573236294.db2.gz QFXMKUVOCHKOSL-UHFFFAOYSA-N 0 0 160.216 2.597 10 30 AFEERN C=C(CCOCO)[C@@H]1CC=C(C)CC1 308528277 573236297 /nfs/dbraw/zinc/23/62/97/573236297.db2.gz BPTWCGGFSDXTEF-GFCCVEGCSA-N 0 0 196.290 2.646 10 30 AFEERN C=C(C)C(=O)C1(c2ccccc2)CC1 86022820 573236301 /nfs/dbraw/zinc/23/63/01/573236301.db2.gz SQVQHWOBBOLVGS-UHFFFAOYSA-N 0 0 186.254 2.863 10 30 AFEERN CCc1cc2c(C#N)ccc(F)c2[nH]1 238314799 573236346 /nfs/dbraw/zinc/23/63/46/573236346.db2.gz YTRTWYSVHDCWHK-UHFFFAOYSA-N 0 0 188.205 2.741 10 30 AFEERN C=C(C)C(=O)[C@@H]1CC[C@@H](CC)C1 86023567 573236456 /nfs/dbraw/zinc/23/64/56/573236456.db2.gz FYEKMGXEMCZWBH-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)Cc1ccc(C)cc1 86022642 573236529 /nfs/dbraw/zinc/23/65/29/573236529.db2.gz ICZVLBHVILDYRE-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN C[C@]1(C2CCCC2)C[C@@H]1C#N 259042348 573236546 /nfs/dbraw/zinc/23/65/46/573236546.db2.gz TXSXSBAWMDSJCG-NXEZZACHSA-N 0 0 149.237 2.726 10 30 AFEERN C=C(C)C(=O)[C@@H]1CC[C@H](C)C1 86023528 573236650 /nfs/dbraw/zinc/23/66/50/573236650.db2.gz OBVJXOKSABQPAG-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)Cc1ccc(F)cc1F 86023069 573236672 /nfs/dbraw/zinc/23/66/72/573236672.db2.gz ODIHCPHTDAMQSE-UHFFFAOYSA-N 0 0 196.196 2.653 10 30 AFEERN C[C@@]1(C2CCCC2)C[C@H]1C#N 259042351 573236716 /nfs/dbraw/zinc/23/67/16/573236716.db2.gz TXSXSBAWMDSJCG-UWVGGRQHSA-N 0 0 149.237 2.726 10 30 AFEERN C=CCC[C@@](C)(O)c1ccc(F)cc1 132188659 573236751 /nfs/dbraw/zinc/23/67/51/573236751.db2.gz FRMPCSWPZNVVCZ-GFCCVEGCSA-N 0 0 194.249 2.999 10 30 AFEERN COc1ccccc1[C@@H]1C[C@]1(C)C#N 259043832 573244550 /nfs/dbraw/zinc/24/45/50/573244550.db2.gz UEEZXSQUWYVVOE-CMPLNLGQSA-N 0 0 187.242 2.712 10 30 AFEERN COc1ccccc1[C@H]1C[C@]1(C)C#N 259043835 573244569 /nfs/dbraw/zinc/24/45/69/573244569.db2.gz UEEZXSQUWYVVOE-ZYHUDNBSSA-N 0 0 187.242 2.712 10 30 AFEERN CC[C@@H](C#N)[C@H](C#N)c1ccccc1 238315415 573244605 /nfs/dbraw/zinc/24/46/05/573244605.db2.gz JSKUTZSOTDMIRG-JQWIXIFHSA-N 0 0 184.242 2.844 10 30 AFEERN C=CCC[C@@](C)(O)[C@H](C)CC 132206246 573244024 /nfs/dbraw/zinc/24/40/24/573244024.db2.gz ZATXKTQLIMKOJA-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN C[C@@H]1CC[C@@H](C)[C@]2(CC(=O)C=CO2)C1 82862286 573244037 /nfs/dbraw/zinc/24/40/37/573244037.db2.gz NBOTUYQTXDQKEZ-CKYFFXLPSA-N 0 0 194.274 2.684 10 30 AFEERN C=C(C)CNN=Cc1ccc(C)s1 308320216 573244173 /nfs/dbraw/zinc/24/41/73/573244173.db2.gz AQIFXUTUUHFMFV-UHFFFAOYSA-N 0 0 194.303 2.556 10 30 AFEERN FC(F)(F)C1CCC2(CC1)CO2 82862714 573244718 /nfs/dbraw/zinc/24/47/18/573244718.db2.gz WQJFXLZJCDIBSS-UHFFFAOYSA-N 0 0 180.169 2.508 10 30 AFEERN C=C(C)COC(=O)c1cscc1C 308321254 573244368 /nfs/dbraw/zinc/24/43/68/573244368.db2.gz BGEDRHFITLVFDB-UHFFFAOYSA-N 0 0 196.271 2.789 10 30 AFEERN C[C@H]1CC[C@@H](C)C[C@@]1(Cl)C#N 82861952 573244414 /nfs/dbraw/zinc/24/44/14/573244414.db2.gz NLFCHWIUIZGXGS-HRDYMLBCSA-N 0 0 171.671 2.944 10 30 AFEERN C=CCCCNc1ncc(F)cc1F 308522107 573244451 /nfs/dbraw/zinc/24/44/51/573244451.db2.gz IDIQFQXYCMJYTF-UHFFFAOYSA-N 0 0 198.216 2.738 10 30 AFEERN N#C[C@H]1CCC[C@@H](C(F)(F)F)C1 82862821 573244473 /nfs/dbraw/zinc/24/44/73/573244473.db2.gz INODYZDOIFWNIG-NKWVEPMBSA-N 0 0 177.169 2.879 10 30 AFEERN C=C1[C@@]2(C)CC(=O)[C@]1(C)[C@@H](C)C2 238457148 573600559 /nfs/dbraw/zinc/60/05/59/573600559.db2.gz PGZYQSWEQIJTPY-WHGOUJPWSA-N 0 0 164.248 2.568 10 30 AFEERN COc1cc(C#N)c2ccsc2c1 238457062 573600594 /nfs/dbraw/zinc/60/05/94/573600594.db2.gz KYHGNBKZCHYXQN-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN N#CCCc1nc(-c2ccccc2)c[nH]1 259139246 573600629 /nfs/dbraw/zinc/60/06/29/573600629.db2.gz ROWMZQPAAMTLHF-UHFFFAOYSA-N 0 0 197.241 2.533 10 30 AFEERN C=C(C)[C@]1(CC)C(=O)[C@@H]2CC=C[C@@H]21 238316456 573250353 /nfs/dbraw/zinc/25/03/53/573250353.db2.gz YWBJXCYFSIVOLR-SCVCMEIPSA-N 0 0 176.259 2.734 10 30 AFEERN CC[C@@H](C)n1c(C#N)cnc1C(C)C 259393501 573250379 /nfs/dbraw/zinc/25/03/79/573250379.db2.gz PZVFFCDSIQDATC-SECBINFHSA-N 0 0 191.278 2.849 10 30 AFEERN C=C(CC)Cn1c(C)cc(C=O)c1C 313481082 573250471 /nfs/dbraw/zinc/25/04/71/573250471.db2.gz JUQUWWPGNKODIU-UHFFFAOYSA-N 0 0 191.274 2.884 10 30 AFEERN CC[C@@H](C)ON=Cc1csc(C)n1 308329275 573258545 /nfs/dbraw/zinc/25/85/45/573258545.db2.gz HVROXVBQJMXAKY-SSDOTTSWSA-N 0 0 198.291 2.601 10 30 AFEERN CC(C)(C)c1c[nH]c(C(C)(C)C#N)n1 259059342 573258556 /nfs/dbraw/zinc/25/85/56/573258556.db2.gz JMAMFPGSEARJNB-UHFFFAOYSA-N 0 0 191.278 2.508 10 30 AFEERN C=C(C)C[C@@H]1CCCC(=O)[C@@H]1C 238457016 573600672 /nfs/dbraw/zinc/60/06/72/573600672.db2.gz BWTJGAOUKMJEAM-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN CCc1ccc([C@](C)(F)C=O)cc1 257835739 573600715 /nfs/dbraw/zinc/60/07/15/573600715.db2.gz KYJBTQYFEPJZBW-LLVKDONJSA-N 0 0 180.222 2.633 10 30 AFEERN C=C[C@H](C)Nc1cccc(N(C)C)c1 235558536 573258194 /nfs/dbraw/zinc/25/81/94/573258194.db2.gz SDPZUPFLMSXUDX-JTQLQIEISA-N 0 0 190.290 2.739 10 30 AFEERN CC[C@H]1CCC2=C1CCCC2=O 142317900 573258244 /nfs/dbraw/zinc/25/82/44/573258244.db2.gz XYGYEJKIBSUODQ-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN CCCC(=NNC(C)(C)C)C1CC1 308329125 573258254 /nfs/dbraw/zinc/25/82/54/573258254.db2.gz HSCQKXHXODVEBO-UHFFFAOYSA-N 0 0 182.311 2.941 10 30 AFEERN C=CC[C@](C)(CC)C(=O)OCC 215510856 573258361 /nfs/dbraw/zinc/25/83/61/573258361.db2.gz KSJJVXOVNYEOJE-JTQLQIEISA-N 0 0 170.252 2.542 10 30 AFEERN Cc1ccc(C(C)C)c(C#N)c1O 257980849 573258458 /nfs/dbraw/zinc/25/84/58/573258458.db2.gz JQHYLAYEKKVNKR-UHFFFAOYSA-N 0 0 175.231 2.696 10 30 AFEERN CC[C@H](C#N)Cc1ccc(OC)cc1 259399315 573258482 /nfs/dbraw/zinc/25/84/82/573258482.db2.gz OANOOAZEMGGNEA-JTQLQIEISA-N 0 0 189.258 2.787 10 30 AFEERN C[C@H]1C[C@@]1(C#N)c1ccc2c(c1)CCC2 259057531 573259319 /nfs/dbraw/zinc/25/93/19/573259319.db2.gz WERROBVSRLLWRH-HZMBPMFUSA-N 0 0 197.281 2.976 10 30 AFEERN C=CC[C@@](C)(CC)C(=O)OCC 215510897 573258691 /nfs/dbraw/zinc/25/86/91/573258691.db2.gz KSJJVXOVNYEOJE-SNVBAGLBSA-N 0 0 170.252 2.542 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)c1ccc2c(c1)CCC2 259057543 573258825 /nfs/dbraw/zinc/25/88/25/573258825.db2.gz WERROBVSRLLWRH-YGRLFVJLSA-N 0 0 197.281 2.976 10 30 AFEERN Cc1cccc([C@@H](C=O)[C@H](C)F)c1 257980695 573258903 /nfs/dbraw/zinc/25/89/03/573258903.db2.gz ZQGOCBZEAMNNQS-ONGXEEELSA-N 0 0 180.222 2.636 10 30 AFEERN C=C(C(C)=O)C1=CCCCC1 142306300 573258968 /nfs/dbraw/zinc/25/89/68/573258968.db2.gz OAKOYSYHNJWRIX-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC[C@H](C)ON=Cc1csc(C)n1 308329276 573259010 /nfs/dbraw/zinc/25/90/10/573259010.db2.gz HVROXVBQJMXAKY-ZETCQYMHSA-N 0 0 198.291 2.601 10 30 AFEERN C(=NNCC1CC1)C1CCCCC1 308330017 573259052 /nfs/dbraw/zinc/25/90/52/573259052.db2.gz JWOAWMCMISPLGV-UHFFFAOYSA-N 0 0 180.295 2.552 10 30 AFEERN O=CCC[C@H](O)C1CCCCCCC1 308531674 573262461 /nfs/dbraw/zinc/26/24/61/573262461.db2.gz CUAYEBAUDJUPQI-LBPRGKRZSA-N 0 0 198.306 2.687 10 30 AFEERN CCc1ccccc1[C@@](C)(F)C=O 257983073 573262574 /nfs/dbraw/zinc/26/25/74/573262574.db2.gz ZWTQNCUQPNJLCG-NSHDSACASA-N 0 0 180.222 2.633 10 30 AFEERN C=CC[C@H](/C=C/OC)[C@H](C=C)[C@H](C)O 308531666 573262699 /nfs/dbraw/zinc/26/26/99/573262699.db2.gz CTRONWPGNZEBJD-AYZGLXRRSA-N 0 0 196.290 2.522 10 30 AFEERN C=CC[C@H](/C=C\OC)[C@H](C=C)[C@@H](C)O 308531668 573263045 /nfs/dbraw/zinc/26/30/45/573263045.db2.gz CTRONWPGNZEBJD-JHDKGYISSA-N 0 0 196.290 2.522 10 30 AFEERN C[C@H]1C[C@]1(C#N)c1ccc2c(c1)CCC2 259057534 573263057 /nfs/dbraw/zinc/26/30/57/573263057.db2.gz WERROBVSRLLWRH-IINYFYTJSA-N 0 0 197.281 2.976 10 30 AFEERN C=CC[C@H](C)C(=O)c1ccc(C)o1 715754394 573277378 /nfs/dbraw/zinc/27/73/78/573277378.db2.gz FFJHSKLFHCBCMC-QMMMGPOBSA-N 0 0 178.231 2.983 10 30 AFEERN C=CC[C@@H](C)[C@@]1(C)CCC(=O)C1 715754327 573277388 /nfs/dbraw/zinc/27/73/88/573277388.db2.gz DEOIDHYYVLFUQX-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H](C)[C@@]1(C)CCC(=O)C1 715754330 573277404 /nfs/dbraw/zinc/27/74/04/573277404.db2.gz DEOIDHYYVLFUQX-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cccc2c1[C@@H](CC=O)CS2 257990649 573277426 /nfs/dbraw/zinc/27/74/26/573277426.db2.gz BHUSNRYYNTWWNH-VIFPVBQESA-N 0 0 192.283 2.773 10 30 AFEERN C[C@H](C#N)[C@@H]1CCc2occc2C1 259605622 573277491 /nfs/dbraw/zinc/27/74/91/573277491.db2.gz GTIROVXWBVIFED-RKDXNWHRSA-N 0 0 175.231 2.544 10 30 AFEERN C/C(=N/O)c1[nH]c2ccccc2c1C 105772760 573277838 /nfs/dbraw/zinc/27/78/38/573277838.db2.gz HDKHUPYRRVEUAL-JYRVWZFOSA-N 0 0 188.230 2.675 10 30 AFEERN C=CC[C@H](C)C(=O)c1cncc(F)c1 715756568 573290269 /nfs/dbraw/zinc/29/02/69/573290269.db2.gz JYNPRSATSFVWMP-QMMMGPOBSA-N 0 0 193.221 2.616 10 30 AFEERN C=CC[C@H](C)C(=O)[C@H]1CC12CC2 715757801 573289613 /nfs/dbraw/zinc/28/96/13/573289613.db2.gz LIZLWKFGSHIDCI-DTWKUNHWSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@H](OC)c1cc(C)c(O)c(C)c1 222987262 573289717 /nfs/dbraw/zinc/28/97/17/573289717.db2.gz NUXRLANPWUYXMU-LLVKDONJSA-N 0 0 192.258 2.883 10 30 AFEERN C=C[C@@H](C)CN(C)c1ncc(C)s1 308344276 573289897 /nfs/dbraw/zinc/28/98/97/573289897.db2.gz TZCOIFXNVSEZRS-MRVPVSSYSA-N 0 0 196.319 2.710 10 30 AFEERN Cc1csc(-c2cc(C#N)on2)c1 259405984 573290091 /nfs/dbraw/zinc/29/00/91/573290091.db2.gz HGWUQTFSECFVQP-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C=CC[C@@H](C)C(=O)c1cscn1 715770698 573312320 /nfs/dbraw/zinc/31/23/20/573312320.db2.gz CUTYVSKZPSZAGH-SSDOTTSWSA-N 0 0 181.260 2.538 10 30 AFEERN CCC(=O)c1ccc(Cl)cc1C#N 306915634 573312016 /nfs/dbraw/zinc/31/20/16/573312016.db2.gz WCFKOPFRKCJSHE-UHFFFAOYSA-N 0 0 193.633 2.804 10 30 AFEERN CC(C)Cc1ncc(C#N)n1C(C)C 259414550 573312042 /nfs/dbraw/zinc/31/20/42/573312042.db2.gz RWXGSAPXSPAALV-UHFFFAOYSA-N 0 0 191.278 2.534 10 30 AFEERN C=C1CCCCC[C@]1(C)CO 224029377 573312096 /nfs/dbraw/zinc/31/20/96/573312096.db2.gz HWUYZVUEBQVMOZ-SNVBAGLBSA-N 0 0 154.253 2.505 10 30 AFEERN Cc1cc2cc(O)cc(C#N)c2s1 307066992 573312887 /nfs/dbraw/zinc/31/28/87/573312887.db2.gz UYCPIHXGAOGYIT-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN CC1(C)CCC([C@@H](O)CCC=O)CC1 308546520 573312895 /nfs/dbraw/zinc/31/28/95/573312895.db2.gz VWFSHPVXWJKTKC-NSHDSACASA-N 0 0 198.306 2.543 10 30 AFEERN Cn1cccc1-c1ccsc1C#N 259607291 573312974 /nfs/dbraw/zinc/31/29/74/573312974.db2.gz FPYQWDHIFRKTQV-UHFFFAOYSA-N 0 0 188.255 2.625 10 30 AFEERN C=C(C)Cc1ccccc1NC 238341513 573322658 /nfs/dbraw/zinc/32/26/58/573322658.db2.gz PHNHAKJLSQFNIK-UHFFFAOYSA-N 0 0 161.248 2.847 10 30 AFEERN CCC[C@H](C)C[C@@H](C)C=O 117100289 573322659 /nfs/dbraw/zinc/32/26/59/573322659.db2.gz OSRWYVAHHIGPEA-DTWKUNHWSA-N 0 0 142.242 2.648 10 30 AFEERN CCC[C@@H](C)C[C@@H](C)C=O 117100287 573322792 /nfs/dbraw/zinc/32/27/92/573322792.db2.gz OSRWYVAHHIGPEA-RKDXNWHRSA-N 0 0 142.242 2.648 10 30 AFEERN CC(C)CC[C@@H](C)CC=O 117102072 573322907 /nfs/dbraw/zinc/32/29/07/573322907.db2.gz MKYRNEMQGVHWME-SECBINFHSA-N 0 0 142.242 2.648 10 30 AFEERN CCC[C@@H](C)C[C@H](C)C=O 117100292 573323002 /nfs/dbraw/zinc/32/30/02/573323002.db2.gz OSRWYVAHHIGPEA-BDAKNGLRSA-N 0 0 142.242 2.648 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCC[C@H]1C 308348547 573323216 /nfs/dbraw/zinc/32/32/16/573323216.db2.gz WZJQPTFJKMVANF-KXUCPTDWSA-N 0 0 182.263 2.540 10 30 AFEERN CC(C)(C)C[C@@H]1OCCC[C@@H]1C#N 86245193 573333408 /nfs/dbraw/zinc/33/34/08/573333408.db2.gz UXJOJXWFJNSCLN-ZJUUUORDSA-N 0 0 181.279 2.741 10 30 AFEERN CCC[C@H](C)[C@@H]1OCCC[C@H]1C#N 86245205 573333417 /nfs/dbraw/zinc/33/34/17/573333417.db2.gz BKKHNIUETDMDLA-DCAQKATOSA-N 0 0 181.279 2.741 10 30 AFEERN CC[C@H](C#N)CN(C)c1cccs1 259087965 573333500 /nfs/dbraw/zinc/33/35/00/573333500.db2.gz VSBFKDVZYXCMOT-SECBINFHSA-N 0 0 194.303 2.734 10 30 AFEERN C=CCC[C@@H]1CC(=O)CC[C@]1(C)C=O 238466246 573334128 /nfs/dbraw/zinc/33/41/28/573334128.db2.gz QICLZDDQYCSFIN-ZYHUDNBSSA-N 0 0 194.274 2.527 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@](C)(CC)OC 715773219 573334135 /nfs/dbraw/zinc/33/41/35/573334135.db2.gz LECNOWZDMOMOQZ-KOLCDFICSA-N 0 0 184.279 2.583 10 30 AFEERN N#C[C@@H]1CCCO[C@H]1[C@H]1CC=CCC1 86245183 573333616 /nfs/dbraw/zinc/33/36/16/573333616.db2.gz NFMLBBZILKUQKY-SRVKXCTJSA-N 0 0 191.274 2.661 10 30 AFEERN C=C1CCc2sc(C)cc2C1=O 143547621 573333658 /nfs/dbraw/zinc/33/36/58/573333658.db2.gz JOESWZHFBUFWMV-UHFFFAOYSA-N 0 0 178.256 2.742 10 30 AFEERN N#C[C@@H]1CCCO[C@H]1C1CCCCC1 86245239 573333684 /nfs/dbraw/zinc/33/36/84/573333684.db2.gz PVIFFFIMBHKBFL-RYUDHWBXSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@@H]1CCO[C@H]1C1CCCCCC1 86245111 573333947 /nfs/dbraw/zinc/33/39/47/573333947.db2.gz KYHDBMJAJRULII-RYUDHWBXSA-N 0 0 193.290 2.885 10 30 AFEERN C=C(C)CCOC(=O)C(C)(C)CC 308322335 573333982 /nfs/dbraw/zinc/33/39/82/573333982.db2.gz ZLZXTOYYYGRIJV-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN COC1(C#CC(F)F)CCCCC1 238358351 573333993 /nfs/dbraw/zinc/33/39/93/573333993.db2.gz MQNXRSIMFOEREL-UHFFFAOYSA-N 0 0 188.217 2.604 10 30 AFEERN N#C[C@H]1CCCO[C@@H]1C1CCCCC1 86245240 573334015 /nfs/dbraw/zinc/33/40/15/573334015.db2.gz PVIFFFIMBHKBFL-VXGBXAGGSA-N 0 0 193.290 2.885 10 30 AFEERN C=CC[C@H](C)C(=O)[C@](C)(CC)OC 715773223 573334073 /nfs/dbraw/zinc/33/40/73/573334073.db2.gz LECNOWZDMOMOQZ-ONGXEEELSA-N 0 0 184.279 2.583 10 30 AFEERN C=CC(=O)[C@]1(OCC)CCC[C@@H](C)C1 159453140 573334090 /nfs/dbraw/zinc/33/40/90/573334090.db2.gz SBVXLWGAQFEAGD-PWSUYJOCSA-N 0 0 196.290 2.727 10 30 AFEERN CC[C@@H](C#N)Cc1cccc(F)c1 259089453 573337112 /nfs/dbraw/zinc/33/71/12/573337112.db2.gz AJUACVDQJUKGBY-SECBINFHSA-N 0 0 177.222 2.918 10 30 AFEERN C=CCCCC(=O)c1ccncc1C 132786322 573337242 /nfs/dbraw/zinc/33/72/42/573337242.db2.gz MDMIORLBBFLRLU-UHFFFAOYSA-N 0 0 189.258 2.929 10 30 AFEERN CC[C@@H](C)c1ccc([C@H](N)C#N)cc1 259087650 573336560 /nfs/dbraw/zinc/33/65/60/573336560.db2.gz OVCRBXYBKXJUKS-BXKDBHETSA-N 0 0 188.274 2.723 10 30 AFEERN C#C[C@@H](O)/C(C)=C/C1CCCCC1 143655815 573336607 /nfs/dbraw/zinc/33/66/07/573336607.db2.gz IHXPHIDABGNQMD-BZYZDCJZSA-N 0 0 178.275 2.507 10 30 AFEERN C=CCSCc1ncoc1C1CC1 308345077 573336859 /nfs/dbraw/zinc/33/68/59/573336859.db2.gz URJPKEOSDRJPFW-UHFFFAOYSA-N 0 0 195.287 2.971 10 30 AFEERN CC[C@@H](C)c1ccc([C@@H](N)C#N)cc1 259087655 573336878 /nfs/dbraw/zinc/33/68/78/573336878.db2.gz OVCRBXYBKXJUKS-SKDRFNHKSA-N 0 0 188.274 2.723 10 30 AFEERN C=C[C@H](C)C#C[C@@H](O)c1ccccc1 238368413 573356663 /nfs/dbraw/zinc/35/66/63/573356663.db2.gz GYGRQCZPOQOMEO-WCQYABFASA-N 0 0 186.254 2.546 10 30 AFEERN C=CCC[C@@H](O)c1ccncc1CC 132870409 573356786 /nfs/dbraw/zinc/35/67/86/573356786.db2.gz PFRVELPFGAXFBQ-GFCCVEGCSA-N 0 0 191.274 2.644 10 30 AFEERN CCCCCCC[C@@H](C)NOC 132972184 573356279 /nfs/dbraw/zinc/35/62/79/573356279.db2.gz IURJPJQUBQGCCI-SNVBAGLBSA-N 0 0 173.300 2.886 10 30 AFEERN CC1(Nc2ccc(C#N)cc2F)CC1 135572747 573356431 /nfs/dbraw/zinc/35/64/31/573356431.db2.gz UOYFSXIAQBGWEN-UHFFFAOYSA-N 0 0 190.221 2.662 10 30 AFEERN C=CCC[C@H](O)c1ccncc1CC 132870598 573356511 /nfs/dbraw/zinc/35/65/11/573356511.db2.gz PFRVELPFGAXFBQ-LBPRGKRZSA-N 0 0 191.274 2.644 10 30 AFEERN C=C[C@H](C)C(=O)Nc1ccc(C)cc1 238368715 573361045 /nfs/dbraw/zinc/36/10/45/573361045.db2.gz GPALGOIVWYMWPS-JTQLQIEISA-N 0 0 189.258 2.756 10 30 AFEERN C=C1CC[C@@H]2C(=C)CC(=O)CC[C@H]12 214757731 573361196 /nfs/dbraw/zinc/36/11/96/573361196.db2.gz ZMGPYOBMEGEMGK-VXGBXAGGSA-N 0 0 176.259 2.878 10 30 AFEERN COc1ccc(N=[N+]=[N-])c(C(C)=O)c1 238369399 573361229 /nfs/dbraw/zinc/36/12/29/573361229.db2.gz RJIHCYFNHKUKAG-UHFFFAOYSA-N 0 0 191.190 2.840 10 30 AFEERN CCCC(CCC)C(=O)[C@@H](C)C#N 132936900 573363139 /nfs/dbraw/zinc/36/31/39/573363139.db2.gz OKDVUHBQONPUNC-VIFPVBQESA-N 0 0 181.279 2.932 10 30 AFEERN Cc1ccc2c(CC=O)csc2c1 258314838 573363366 /nfs/dbraw/zinc/36/33/66/573363366.db2.gz VZYFVAHLQVSAGI-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN C=C[C@H](C)c1cc(OC)cc(C)c1O 238370179 573368889 /nfs/dbraw/zinc/36/88/89/573368889.db2.gz UOHGIZUMJVODAN-QMMMGPOBSA-N 0 0 192.258 2.999 10 30 AFEERN CC[C@](C)(C=O)[C@H]1CCC[C@@H](OC)C1 317608108 573368897 /nfs/dbraw/zinc/36/88/97/573368897.db2.gz SQSVDCKSRSBWQS-QJPTWQEYSA-N 0 0 198.306 2.807 10 30 AFEERN C=C(CCO)C[C@@H]1CCCCS1 258319943 573368910 /nfs/dbraw/zinc/36/89/10/573368910.db2.gz WAAJOWLHRBYMSS-JTQLQIEISA-N 0 0 186.320 2.601 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@@]1(C)CCCCO1 715784932 573368953 /nfs/dbraw/zinc/36/89/53/573368953.db2.gz BKMNKXMMIWTNSD-ZYHUDNBSSA-N 0 0 196.290 2.727 10 30 AFEERN C=C(CCO)c1ccccc1Cl 258323907 573368974 /nfs/dbraw/zinc/36/89/74/573368974.db2.gz WKJGOWLWYXAZKY-UHFFFAOYSA-N 0 0 182.650 2.736 10 30 AFEERN C=C[C@@H](C)c1cc(OC)cc(C)c1O 238370310 573369012 /nfs/dbraw/zinc/36/90/12/573369012.db2.gz UOHGIZUMJVODAN-MRVPVSSYSA-N 0 0 192.258 2.999 10 30 AFEERN CC[C@](C)(C=O)[C@@H]1CCC[C@@H](OC)C1 317608107 573368252 /nfs/dbraw/zinc/36/82/52/573368252.db2.gz SQSVDCKSRSBWQS-IJLUTSLNSA-N 0 0 198.306 2.807 10 30 AFEERN Cc1ccc2sc(C#N)c(N)c2c1 107133449 573368358 /nfs/dbraw/zinc/36/83/58/573368358.db2.gz BWVLSXKCNSLXIW-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CCC[C@H](C#N)C1(O)CCCCC1 86326310 573368438 /nfs/dbraw/zinc/36/84/38/573368438.db2.gz CVCCJGYPPHFLLS-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN CCC[C@H](C#N)[C@@]1(O)CCCC[C@@H]1C 86326358 573368485 /nfs/dbraw/zinc/36/84/85/573368485.db2.gz KWULPQPGPMJFCI-QJPTWQEYSA-N 0 0 195.306 2.867 10 30 AFEERN C=CC[C@H](C)C(C)=NN[C@@H](C)CC 308367117 573368539 /nfs/dbraw/zinc/36/85/39/573368539.db2.gz ONXUCGHXZGMYLB-UWVGGRQHSA-N 0 0 182.311 2.963 10 30 AFEERN C=CCCCNc1ccc(C)c(N)c1 308564216 573368605 /nfs/dbraw/zinc/36/86/05/573368605.db2.gz XQIALWXIKGYUMB-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN N#C[C@@H]1CCCc2ccsc21 117856428 573368772 /nfs/dbraw/zinc/36/87/72/573368772.db2.gz NAEABLQWNLNRLH-QMMMGPOBSA-N 0 0 163.245 2.692 10 30 AFEERN CCC[C@H](C#N)[C@@]1(O)CCC[C@H](C)C1 86326319 573368777 /nfs/dbraw/zinc/36/87/77/573368777.db2.gz JIZYNTUYEMFRGW-QJPTWQEYSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@@H](O)c1cc(Cl)cs1 86333952 573368866 /nfs/dbraw/zinc/36/88/66/573368866.db2.gz YDWSKBFUTULIOI-ZCFIWIBFSA-N 0 0 174.652 2.621 10 30 AFEERN Cc1ccc([C@H](C)F)cc1C#N 258007940 573369818 /nfs/dbraw/zinc/36/98/18/573369818.db2.gz MOUWHKHLAOFHAX-QMMMGPOBSA-N 0 0 163.195 2.897 10 30 AFEERN CC(=O)/C=C\c1ccc(F)c(C)c1 217400234 573369916 /nfs/dbraw/zinc/36/99/16/573369916.db2.gz NTFPLLMPEQZHMP-ARJAWSKDSA-N 0 0 178.206 2.736 10 30 AFEERN C#C[C@H](O)/C(C)=C/[C@@H](C)C[C@H](C)CC 308443696 573369153 /nfs/dbraw/zinc/36/91/53/573369153.db2.gz ISSDUAOIYFHSPX-RWFYNMOTSA-N 0 0 194.318 2.999 10 30 AFEERN C[C@H](CCC=O)[C@H]1CC[C@](C)(O)CC1 308365679 573369256 /nfs/dbraw/zinc/36/92/56/573369256.db2.gz JDYVKNVJHUONOV-IJLUTSLNSA-N 0 0 198.306 2.543 10 30 AFEERN C=C(CC=O)C[C@@H]1CCCCS1 258325758 573369414 /nfs/dbraw/zinc/36/94/14/573369414.db2.gz WLSUOSIOXNBXRR-JTQLQIEISA-N 0 0 184.304 2.807 10 30 AFEERN C=CC[C@@H](C)C(=O)C1(OC)CCCC1 715785189 573369419 /nfs/dbraw/zinc/36/94/19/573369419.db2.gz CSPHQZKRPQOTOG-SNVBAGLBSA-N 0 0 196.290 2.727 10 30 AFEERN C=CC[C@H](C)C(C)N=N[C@H](C)CC 308367119 573369551 /nfs/dbraw/zinc/36/95/51/573369551.db2.gz ONXUCGHXZGMYLB-VHSXEESVSA-N 0 0 182.311 2.963 10 30 AFEERN C#CCCCSCc1cc(C)on1 308370455 573381269 /nfs/dbraw/zinc/38/12/69/573381269.db2.gz KNOGHKFJIACLBZ-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C=CCNc1ccc(OC)cc1Cl 238373612 573380615 /nfs/dbraw/zinc/38/06/15/573380615.db2.gz QQWSFRNUZBMZHY-UHFFFAOYSA-N 0 0 197.665 2.947 10 30 AFEERN CCC(C=NNC[C@@H]1C[C@H]1C)CC 308377433 573380756 /nfs/dbraw/zinc/38/07/56/573380756.db2.gz SXAAXTWXAZWQLG-KOLCDFICSA-N 0 0 182.311 2.654 10 30 AFEERN C=CCCNc1ccccc1[N+](=O)[O-] 126155735 573380778 /nfs/dbraw/zinc/38/07/78/573380778.db2.gz OTIHGWFOGDPBEL-UHFFFAOYSA-N 0 0 192.218 2.583 10 30 AFEERN C=C(c1ccccc1)[C@H](C)CC=O 238468617 573380927 /nfs/dbraw/zinc/38/09/27/573380927.db2.gz MFCZSXPIJPQTJS-SNVBAGLBSA-N 0 0 174.243 2.925 10 30 AFEERN N#Cc1ccc2c(c1)SC(=O)C2F 306630001 573380945 /nfs/dbraw/zinc/38/09/45/573380945.db2.gz FBYJAGNASSPHNP-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN C=C[C@H](C)c1cc(C)[nH]c1C 238375586 573382540 /nfs/dbraw/zinc/38/25/40/573382540.db2.gz PLFJCAOGXKFMPO-ZETCQYMHSA-N 0 0 149.237 2.921 10 30 AFEERN C=C[C@H](CC)OC(=O)CCC(F)F 308370599 573382078 /nfs/dbraw/zinc/38/20/78/573382078.db2.gz QAKQPZINKWIDCL-SSDOTTSWSA-N 0 0 192.205 2.540 10 30 AFEERN CC(C)[C@@H](C=O)C1CCCC1 107158183 573382128 /nfs/dbraw/zinc/38/21/28/573382128.db2.gz AJZGMPXMLDGNHB-SNVBAGLBSA-N 0 0 154.253 2.648 10 30 AFEERN CC[C@H](CC=O)C1CCCC1 107158173 573382138 /nfs/dbraw/zinc/38/21/38/573382138.db2.gz TZSJUZINJVNVPD-SECBINFHSA-N 0 0 154.253 2.792 10 30 AFEERN C=C[C@H](C)c1ccc(N)c(C)c1 238375924 573382211 /nfs/dbraw/zinc/38/22/11/573382211.db2.gz DMYHUFLLLCRGGE-QMMMGPOBSA-N 0 0 161.248 2.867 10 30 AFEERN CC[C@H](C)ON=Cc1ccccc1 308378276 573382294 /nfs/dbraw/zinc/38/22/94/573382294.db2.gz TZEFFLFHGCEVAF-JTQLQIEISA-N 0 0 177.247 2.836 10 30 AFEERN CC(C)[C@H](C=O)C1CCCC1 107158187 573382310 /nfs/dbraw/zinc/38/23/10/573382310.db2.gz AJZGMPXMLDGNHB-JTQLQIEISA-N 0 0 154.253 2.648 10 30 AFEERN CC[C@](C#N)(C1CC1)N1CCCCC1 83058779 573382338 /nfs/dbraw/zinc/38/23/38/573382338.db2.gz ZGKNWEJRFDBRKA-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN C=C(C)[C@H](C)OC(=O)/C(C)=C\CC 308371407 573382344 /nfs/dbraw/zinc/38/23/44/573382344.db2.gz QJRQKICQROYJIU-RNKPRXRFSA-N 0 0 182.263 2.851 10 30 AFEERN CC(C)(C)C[C@H](C=O)C1CC1 107158195 573383053 /nfs/dbraw/zinc/38/30/53/573383053.db2.gz BVDPIPUQDQUDLZ-SECBINFHSA-N 0 0 154.253 2.648 10 30 AFEERN Cc1c(Cl)cccc1C(=O)CC#N 118000965 573383194 /nfs/dbraw/zinc/38/31/94/573383194.db2.gz OEXCIPBFTUHMQD-UHFFFAOYSA-N 0 0 193.633 2.745 10 30 AFEERN CC[C@H](C=O)C1CCCCC1 107158201 573383402 /nfs/dbraw/zinc/38/34/02/573383402.db2.gz XIHMKRWZCFAKIF-SECBINFHSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@H](C=O)CC1CCCC1 107158155 573383441 /nfs/dbraw/zinc/38/34/41/573383441.db2.gz NXOKKWJUGOAARQ-VIFPVBQESA-N 0 0 154.253 2.792 10 30 AFEERN C=C[C@H](C)c1cc(OC)ccc1O 238378893 573390694 /nfs/dbraw/zinc/39/06/94/573390694.db2.gz DTIDQIQEORPPHQ-QMMMGPOBSA-N 0 0 178.231 2.690 10 30 AFEERN Cc1ccc([C@@H](C=O)C(C)C)o1 107161097 573390033 /nfs/dbraw/zinc/39/00/33/573390033.db2.gz BSFJVELPMGAHAO-VIFPVBQESA-N 0 0 166.220 2.527 10 30 AFEERN C[C@H](CC=O)c1ccc(F)cc1 107161047 573390176 /nfs/dbraw/zinc/39/01/76/573390176.db2.gz NRXJGISSCQUNBQ-MRVPVSSYSA-N 0 0 166.195 2.518 10 30 AFEERN CC[C@@H](C=O)c1ccccc1F 107161061 573390438 /nfs/dbraw/zinc/39/04/38/573390438.db2.gz LWGBTWZDQQZTOC-QMMMGPOBSA-N 0 0 166.195 2.518 10 30 AFEERN C=C(Cl)CN[C@H](C)c1occc1C 129788911 573390480 /nfs/dbraw/zinc/39/04/80/573390480.db2.gz MKDNFVDWPYNGCZ-SECBINFHSA-N 0 0 199.681 2.991 10 30 AFEERN Cc1cccc([C@H](C=O)C(C)C)c1 107165240 573392454 /nfs/dbraw/zinc/39/24/54/573392454.db2.gz CPGJSHPASSRMEJ-GFCCVEGCSA-N 0 0 176.259 2.934 10 30 AFEERN CC(C)[C@@H](C=O)c1cccc(F)c1 107168530 573392475 /nfs/dbraw/zinc/39/24/75/573392475.db2.gz IQESQHGKESHFLV-LLVKDONJSA-N 0 0 180.222 2.764 10 30 AFEERN Cc1cc([C@H](C)CC=O)ccc1F 107168512 573392695 /nfs/dbraw/zinc/39/26/95/573392695.db2.gz SZMYWMVFZAZCNQ-MRVPVSSYSA-N 0 0 180.222 2.827 10 30 AFEERN CC[C@H](C=O)c1ccc(C)s1 107162204 573392715 /nfs/dbraw/zinc/39/27/15/573392715.db2.gz FWXAUSPAGDULQA-MRVPVSSYSA-N 0 0 168.261 2.749 10 30 AFEERN C[C@@H](O)/C=C/CC1(C#N)CCCCC1 238379588 573392899 /nfs/dbraw/zinc/39/28/99/573392899.db2.gz IEXZFGFWBKNBIT-MVIFTORASA-N 0 0 193.290 2.788 10 30 AFEERN C[C@H](CC=O)c1cc(F)ccc1F 107171933 573397348 /nfs/dbraw/zinc/39/73/48/573397348.db2.gz IAHOCTYWHIENOD-SSDOTTSWSA-N 0 0 184.185 2.657 10 30 AFEERN C=C[C@@H]1O[C@H](C)[C@@H]1[C@@H](O)CCCCC 308572894 573397442 /nfs/dbraw/zinc/39/74/42/573397442.db2.gz FXZNRSSIFSODFG-NOOOWODRSA-N 0 0 198.306 2.517 10 30 AFEERN CCn1cc(C#N)c2c(F)cccc21 84867022 573397473 /nfs/dbraw/zinc/39/74/73/573397473.db2.gz ROEUBYVPTVONHL-UHFFFAOYSA-N 0 0 188.205 2.672 10 30 AFEERN O=CC1=C(O)[C@@]23C=C[C@@]2(CCCC3)C1 308573214 573397660 /nfs/dbraw/zinc/39/76/60/573397660.db2.gz GDQFCZJVHVGOCR-VDTGWRSZSA-N 0 0 190.242 2.518 10 30 AFEERN CC(C)C[C@H](C#N)C(C)C 78423177 573397683 /nfs/dbraw/zinc/39/76/83/573397683.db2.gz FNNABWZCWVUGMQ-SECBINFHSA-N 0 0 139.242 2.828 10 30 AFEERN CCS[C@@H](C#N)[C@@H](C)CC 86386805 573397774 /nfs/dbraw/zinc/39/77/74/573397774.db2.gz IANZHHZVMYSLOE-YUMQZZPRSA-N 0 0 157.282 2.678 10 30 AFEERN CC[C@H](C=O)c1cc(F)ccc1F 107171943 573397800 /nfs/dbraw/zinc/39/78/00/573397800.db2.gz PWXVSEMVXSTOEF-SSDOTTSWSA-N 0 0 184.185 2.657 10 30 AFEERN N#CCCc1ccc2c(c1)CCCN2 259097712 573409553 /nfs/dbraw/zinc/40/95/53/573409553.db2.gz FFDUCFIKXXNDGB-UHFFFAOYSA-N 0 0 186.258 2.501 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@H](OC)C(C)(C)C 715796834 573409023 /nfs/dbraw/zinc/40/90/23/573409023.db2.gz QFVFCOCCPVCPTO-KOLCDFICSA-N 0 0 198.306 2.829 10 30 AFEERN N#CCc1c(F)c(F)cc2ccoc12 118475395 573409190 /nfs/dbraw/zinc/40/91/90/573409190.db2.gz CROZBXHBJNEADJ-UHFFFAOYSA-N 0 0 193.152 2.777 10 30 AFEERN C=CC[C@H](C)C(=O)[C@H](OC)C(C)(C)C 715796857 573409225 /nfs/dbraw/zinc/40/92/25/573409225.db2.gz QFVFCOCCPVCPTO-ONGXEEELSA-N 0 0 198.306 2.829 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@@H](OC)C(C)(C)C 715796842 573409230 /nfs/dbraw/zinc/40/92/30/573409230.db2.gz QFVFCOCCPVCPTO-MWLCHTKSSA-N 0 0 198.306 2.829 10 30 AFEERN C=CC[C@@H](C)COC(C)C 715795584 573409306 /nfs/dbraw/zinc/40/93/06/573409306.db2.gz HYTOQUBOAJOVOB-SECBINFHSA-N 0 0 142.242 2.624 10 30 AFEERN C=CC[C@H](C)COC(C)C 715795587 573409364 /nfs/dbraw/zinc/40/93/64/573409364.db2.gz HYTOQUBOAJOVOB-VIFPVBQESA-N 0 0 142.242 2.624 10 30 AFEERN C=CCC/C(C)=C\[C@@H](C)CO 238381830 573410922 /nfs/dbraw/zinc/41/09/22/573410922.db2.gz URGVTMFALBAFET-UJICNMFASA-N 0 0 154.253 2.527 10 30 AFEERN CSc1cccc(C2(C#N)CC2)c1 238382313 573410931 /nfs/dbraw/zinc/41/09/31/573410931.db2.gz VMGZHJPUIVXEDA-UHFFFAOYSA-N 0 0 189.283 2.964 10 30 AFEERN N#CCc1cc(F)cc2ccoc12 118479091 573410239 /nfs/dbraw/zinc/41/02/39/573410239.db2.gz ZRJDPZNGESWHPY-UHFFFAOYSA-N 0 0 175.162 2.638 10 30 AFEERN Cc1cccc(-c2cc(C#N)n(C)c2)c1 259102271 573410363 /nfs/dbraw/zinc/41/03/63/573410363.db2.gz FPSYDYOOQSJUEH-UHFFFAOYSA-N 0 0 196.253 2.872 10 30 AFEERN CC(C)c1c[nH]c([C@H](C#N)C(C)C)n1 259097608 573410428 /nfs/dbraw/zinc/41/04/28/573410428.db2.gz NSVXFLMWMPWPFX-SECBINFHSA-N 0 0 191.278 2.796 10 30 AFEERN CCC(C)(C)Oc1cnccc1C#N 135622681 573410561 /nfs/dbraw/zinc/41/05/61/573410561.db2.gz UBUQUYSJZHIICI-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN CC[C@H](C#N)CNc1ccc(C)o1 259098015 573410635 /nfs/dbraw/zinc/41/06/35/573410635.db2.gz WPOCHOIMUNYXTE-SECBINFHSA-N 0 0 178.235 2.550 10 30 AFEERN C=CCc1noc(CCCCC)n1 308386459 573410658 /nfs/dbraw/zinc/41/06/58/573410658.db2.gz XIVUKINMKLBXBN-UHFFFAOYSA-N 0 0 180.251 2.531 10 30 AFEERN C[C@@H](C=O)[C@@]1(C)C=CCCC1 238381632 573410752 /nfs/dbraw/zinc/41/07/52/573410752.db2.gz RNKLMFWEYPONLN-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN CCCCC/C=C\C[C@@H]1O[C@@H]1CCO 308580529 573418091 /nfs/dbraw/zinc/41/80/91/573418091.db2.gz JPACMYMSJNKTGW-QHDQMSKJSA-N 0 0 198.306 2.663 10 30 AFEERN CC[C@@H](C)ON=CCC(C)(C)OC 308386855 573417577 /nfs/dbraw/zinc/41/75/77/573417577.db2.gz XJZOGFUUTDGIOT-SECBINFHSA-N 0 0 187.283 2.602 10 30 AFEERN CCCCNN=C[C@H]1CC[C@@H](C)C1 308387418 573417654 /nfs/dbraw/zinc/41/76/54/573417654.db2.gz XULPPRWSUQFUCR-MNOVXSKESA-N 0 0 182.311 2.798 10 30 AFEERN CCCCCCOC(=O)[C@@H](C)CC#N 308580001 573417942 /nfs/dbraw/zinc/41/79/42/573417942.db2.gz JJSAYVSJGVSKHL-JTQLQIEISA-N 0 0 197.278 2.660 10 30 AFEERN C[C@@H](c1ccccc1)[C@](C)(C#N)C=O 238384665 573417992 /nfs/dbraw/zinc/41/79/92/573417992.db2.gz RBALYDJJBVIPTI-CMPLNLGQSA-N 0 0 187.242 2.519 10 30 AFEERN C[C@@H](CS)Cc1ccccc1 78072549 573422072 /nfs/dbraw/zinc/42/20/72/573422072.db2.gz FGBZKGRXRANBAQ-SECBINFHSA-N 0 0 166.289 2.795 10 30 AFEERN Cc1cc(C)c(CCC=O)cc1C 83139055 573421406 /nfs/dbraw/zinc/42/14/06/573421406.db2.gz GQRUKNXLRZQSCA-UHFFFAOYSA-N 0 0 176.259 2.743 10 30 AFEERN CCc1cc(F)c(C#N)cc1C 205983708 573421471 /nfs/dbraw/zinc/42/14/71/573421471.db2.gz MGQXDQUEUGWOKY-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN C#C[C@H](CC)OC(=O)CCCCC 308381866 573421573 /nfs/dbraw/zinc/42/15/73/573421573.db2.gz UXGYFXOJLAHJOB-SNVBAGLBSA-N 0 0 182.263 2.522 10 30 AFEERN C[C@H](C#N)CSc1ccc(N)cc1 238390466 573422144 /nfs/dbraw/zinc/42/21/44/573422144.db2.gz URBBPSWONHARKR-MRVPVSSYSA-N 0 0 192.287 2.521 10 30 AFEERN Cc1c(F)cc(F)cc1[C@H](C)CC=O 258024621 573421903 /nfs/dbraw/zinc/42/19/03/573421903.db2.gz ILAUDDOETPOOOY-SSDOTTSWSA-N 0 0 198.212 2.966 10 30 AFEERN COc1c(C#N)cccc1[C@H](C)F 258028759 573426327 /nfs/dbraw/zinc/42/63/27/573426327.db2.gz OXVHLBFGKOAOMS-ZETCQYMHSA-N 0 0 179.194 2.597 10 30 AFEERN COCc1cccc([C@@H](C)CC=O)c1 258030162 573426755 /nfs/dbraw/zinc/42/67/55/573426755.db2.gz IVNJLFVSNYIWLM-JTQLQIEISA-N 0 0 192.258 2.526 10 30 AFEERN O=CC(Cl)(Cl)CC1CCCC1 118818381 573426840 /nfs/dbraw/zinc/42/68/40/573426840.db2.gz XLPJBSBZLUQKRO-UHFFFAOYSA-N 0 0 195.089 2.940 10 30 AFEERN C#C[C@@H](C)CC(=O)c1ccccc1 238392434 573426909 /nfs/dbraw/zinc/42/69/09/573426909.db2.gz NFPHNUDYOOLDRG-SNVBAGLBSA-N 0 0 172.227 2.529 10 30 AFEERN C/C=C(/CC=O)c1ccccc1 78328111 573426928 /nfs/dbraw/zinc/42/69/28/573426928.db2.gz ICSFEGRQBPWRJB-SGAXSIHGSA-N 0 0 160.216 2.679 10 30 AFEERN CCCc1ccc([C@H](S)NC)cc1 259102806 573430547 /nfs/dbraw/zinc/43/05/47/573430547.db2.gz AJQBGFQMDMNMMN-NSHDSACASA-N 0 0 195.331 2.787 10 30 AFEERN CSc1cc(C)c(C)c(C#N)c1 258028781 573429977 /nfs/dbraw/zinc/42/99/77/573429977.db2.gz OXYNQLAXULTLJV-UHFFFAOYSA-N 0 0 177.272 2.897 10 30 AFEERN C=CC(=C)CC[C@H](O)c1ccco1 238662292 573430067 /nfs/dbraw/zinc/43/00/67/573430067.db2.gz YCWGSZIHJLUXEK-JTQLQIEISA-N 0 0 178.231 2.835 10 30 AFEERN C=CC(=C)C[C@@H](O)C(C)(C)C 34437400 573430083 /nfs/dbraw/zinc/43/00/83/573430083.db2.gz CBXPFSVBXLMLJS-SECBINFHSA-N 0 0 154.253 2.526 10 30 AFEERN COc1c(C#N)cccc1[C@@H](C)F 258028757 573430291 /nfs/dbraw/zinc/43/02/91/573430291.db2.gz OXVHLBFGKOAOMS-SSDOTTSWSA-N 0 0 179.194 2.597 10 30 AFEERN C=CCC[C@H]1C[C@@H](C)CC1=O 144169384 573430470 /nfs/dbraw/zinc/43/04/70/573430470.db2.gz YSBWYWZWQWHOGK-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CC[C@H](C(C)C)C(=O)C1 144180293 573430494 /nfs/dbraw/zinc/43/04/94/573430494.db2.gz UTKOPILZYFNBSY-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@H]1CC=C(/C=C/CO)CC1 223064339 573442288 /nfs/dbraw/zinc/44/22/88/573442288.db2.gz RGVZQSMEACSDNW-AAOUONPWSA-N 0 0 178.275 2.838 10 30 AFEERN CC1(C)C[C@@H]1Nc1ccccc1C#N 44368052 573441670 /nfs/dbraw/zinc/44/16/70/573441670.db2.gz QNNANMJQMVFYNO-NSHDSACASA-N 0 0 186.258 2.769 10 30 AFEERN C=C[C@](C)(CO)COC1CCCCC1 308586042 573441695 /nfs/dbraw/zinc/44/16/95/573441695.db2.gz ILIRTDABXFSUKX-GFCCVEGCSA-N 0 0 198.306 2.520 10 30 AFEERN C=C[C@@](C)(CO)COC1CCCCC1 308586044 573441714 /nfs/dbraw/zinc/44/17/14/573441714.db2.gz ILIRTDABXFSUKX-LBPRGKRZSA-N 0 0 198.306 2.520 10 30 AFEERN CC[C@@H]1CC[C@](C#N)([C@H](C)COC)C1 308585886 573441721 /nfs/dbraw/zinc/44/17/21/573441721.db2.gz MDNOWTKVIOSRMI-UTUOFQBUSA-N 0 0 195.306 2.989 10 30 AFEERN C=C(C)[C@H]1CC=C(/C=C/CO)CC1 223064206 573441971 /nfs/dbraw/zinc/44/19/71/573441971.db2.gz RGVZQSMEACSDNW-PCAWENJQSA-N 0 0 178.275 2.838 10 30 AFEERN C[C@@H]1CC=C2CCCC[C@@H]2[C@@H]1C=O 238397393 573442000 /nfs/dbraw/zinc/44/20/00/573442000.db2.gz AVWZKLVZQIEKBR-ADEWGFFLSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1ccc2c(c1)[C@@H](CC=O)CC2 257813557 573442098 /nfs/dbraw/zinc/44/20/98/573442098.db2.gz CDTJMCRJWDKJRH-LLVKDONJSA-N 0 0 174.243 2.614 10 30 AFEERN C[C@H]1CCc2scc(C#N)c2C1 259450457 573442127 /nfs/dbraw/zinc/44/21/27/573442127.db2.gz KSZOCFUQMUCDAI-ZETCQYMHSA-N 0 0 177.272 2.745 10 30 AFEERN Cc1cc(C2CC2)c2cc(C#N)oc2n1 259451819 573444864 /nfs/dbraw/zinc/44/48/64/573444864.db2.gz WNTLZVRPSLBCCV-UHFFFAOYSA-N 0 0 198.225 2.885 10 30 AFEERN CC(=O)/C(C)=C/c1ccccc1C 118902390 573444884 /nfs/dbraw/zinc/44/48/84/573444884.db2.gz VEIXXAUDCBZHQX-CSKARUKUSA-N 0 0 174.243 2.987 10 30 AFEERN C=CC[C@@H](C)Cc1ncnn1C(C)C 715808252 573444914 /nfs/dbraw/zinc/44/49/14/573444914.db2.gz SLGJPIHLFWVLAP-SNVBAGLBSA-N 0 0 193.294 2.614 10 30 AFEERN CCCCCC[C@H](CC=O)OCC 238221536 573444935 /nfs/dbraw/zinc/44/49/35/573444935.db2.gz TXDIPEZCHRNOEI-LLVKDONJSA-N 0 0 186.295 2.951 10 30 AFEERN C=CC[C@H](C)Cc1ncnn1C(C)C 715808251 573444976 /nfs/dbraw/zinc/44/49/76/573444976.db2.gz SLGJPIHLFWVLAP-JTQLQIEISA-N 0 0 193.294 2.614 10 30 AFEERN C=C1C[C@H](C)C[C@@H](C[C@@H](C)O)C1 238397373 573445019 /nfs/dbraw/zinc/44/50/19/573445019.db2.gz VSTCOGUMRXFWJH-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@H](C)c1ccnn1CC 715808165 573445039 /nfs/dbraw/zinc/44/50/39/573445039.db2.gz RRBUQJFEFIBCIT-VIFPVBQESA-N 0 0 164.252 2.583 10 30 AFEERN C=CCNc1cccc(OCC)c1 50522222 573445324 /nfs/dbraw/zinc/44/53/24/573445324.db2.gz IJOCCLSUOWWRCM-UHFFFAOYSA-N 0 0 177.247 2.683 10 30 AFEERN C=CC[C@@H](C)C1(C=O)CCC1 715808148 573445395 /nfs/dbraw/zinc/44/53/95/573445395.db2.gz RNBRBNDKNZRECV-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C=C[C@@H](C)[C@](C)(C(C)=O)C1 238399237 573445625 /nfs/dbraw/zinc/44/56/25/573445625.db2.gz PZUQSXPIZSZTNX-MWLCHTKSSA-N 0 0 164.248 2.734 10 30 AFEERN CCCCC/C=C\[C@@H]1O[C@H]1CCCO 308590667 573454032 /nfs/dbraw/zinc/45/40/32/573454032.db2.gz ONVRWHMBVUTQSS-HTMRKKJOSA-N 0 0 198.306 2.663 10 30 AFEERN CCO[C@@H](C=O)CC1CCCCC1 257817128 573453450 /nfs/dbraw/zinc/45/34/50/573453450.db2.gz DPGUVDSTWVFABC-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN CC[C@@H](C#N)CNc1ccc(C#N)cc1 258660864 573453461 /nfs/dbraw/zinc/45/34/61/573453461.db2.gz NOEZBGMSTIQVTO-JTQLQIEISA-N 0 0 199.257 2.520 10 30 AFEERN CC[C@@H](CC#N)n1ncc2ccccc21 50525782 573453580 /nfs/dbraw/zinc/45/35/80/573453580.db2.gz FCQZSYZHUTYHFU-NSHDSACASA-N 0 0 199.257 2.901 10 30 AFEERN C=C(C)[C@H]1CC=C([C@@H](C)O)CC1 142575619 573453923 /nfs/dbraw/zinc/45/39/23/573453923.db2.gz QMAIRFRHEGKGDA-ZJUUUORDSA-N 0 0 166.264 2.670 10 30 AFEERN CSc1cc(C#N)ccc1Cl 238403422 573458912 /nfs/dbraw/zinc/45/89/12/573458912.db2.gz CMLCFLZBCGMTIR-UHFFFAOYSA-N 0 0 183.663 2.934 10 30 AFEERN C=CC[C@]1(C)CC[C@H]([C@H](O)C(C)C)O1 308591825 573458938 /nfs/dbraw/zinc/45/89/38/573458938.db2.gz PIOKSMWQNKIDMX-IJLUTSLNSA-N 0 0 198.306 2.517 10 30 AFEERN C=C(C)C(=O)c1c(F)cccc1F 86477452 573458944 /nfs/dbraw/zinc/45/89/44/573458944.db2.gz HGSQUUTYVKEBDG-UHFFFAOYSA-N 0 0 182.169 2.724 10 30 AFEERN Cc1cc(C)c(C[C@H](C)C=O)c(C)c1 238402101 573458614 /nfs/dbraw/zinc/45/86/14/573458614.db2.gz MSIVZYHOTYEEID-JTQLQIEISA-N 0 0 190.286 2.989 10 30 AFEERN C=C(C)[C@@H]1CC=C([C@@H](C)O)CC1 142575975 573458697 /nfs/dbraw/zinc/45/86/97/573458697.db2.gz QMAIRFRHEGKGDA-NXEZZACHSA-N 0 0 166.264 2.670 10 30 AFEERN Cc1cc(C(C)C)c2cc(C#N)nc-2[nH]1 259455642 573458783 /nfs/dbraw/zinc/45/87/83/573458783.db2.gz WXSFXDYBENRTEX-UHFFFAOYSA-N 0 0 199.257 2.866 10 30 AFEERN C=CC[C@]1(C)CC[C@H]([C@@H](O)C(C)C)O1 308591824 573459976 /nfs/dbraw/zinc/45/99/76/573459976.db2.gz PIOKSMWQNKIDMX-GRYCIOLGSA-N 0 0 198.306 2.517 10 30 AFEERN O=CC[C@@H](F)C1CCCCCC1 257814922 573460329 /nfs/dbraw/zinc/46/03/29/573460329.db2.gz COKNDTCTITYROA-SNVBAGLBSA-N 0 0 172.243 2.884 10 30 AFEERN N#Cc1oc(C=O)cc1-c1ccccc1 259458228 573460433 /nfs/dbraw/zinc/46/04/33/573460433.db2.gz OVEBKYYLGOTTED-UHFFFAOYSA-N 0 0 197.193 2.631 10 30 AFEERN C=C[C@@H](O)CCCCC(F)(F)F 238666853 573461254 /nfs/dbraw/zinc/46/12/54/573461254.db2.gz OEJJXCDBHJMICW-SSDOTTSWSA-N 0 0 182.185 2.656 10 30 AFEERN C[C@@H]1CC(=O)C[C@@](C)(CCC#N)C1 238409898 573467647 /nfs/dbraw/zinc/46/76/47/573467647.db2.gz MNYLGAJHJNXMJL-KOLCDFICSA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)S[C@H](C#N)C(F)(F)F 86501794 573467704 /nfs/dbraw/zinc/46/77/04/573467704.db2.gz JILZMLOREKSEFA-RXMQYKEDSA-N 0 0 183.198 2.582 10 30 AFEERN C[C@](F)(CC#N)c1ccc(F)cc1 107277070 573467765 /nfs/dbraw/zinc/46/77/65/573467765.db2.gz OMQXPLKVYVKNID-JTQLQIEISA-N 0 0 181.185 2.924 10 30 AFEERN C=C(c1ccccc1)[C@H](C)[C@@H](C)O 238405843 573467833 /nfs/dbraw/zinc/46/78/33/573467833.db2.gz BUAHCRMNCBSQBX-GXSJLCMTSA-N 0 0 176.259 2.717 10 30 AFEERN C[C@@H]1CC[C@H]2C=CC(=O)[C@@]2(C)C1 238409610 573467122 /nfs/dbraw/zinc/46/71/22/573467122.db2.gz JWSJFLXAIUPQNL-YWVKMMECSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@H]1CC[C@H]2CCC(=O)C=C2C1 238409880 573467250 /nfs/dbraw/zinc/46/72/50/573467250.db2.gz FECHSQZMGDQJOD-BDAKNGLRSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cccc(C[C@H](C)C=O)c1F 238408708 573467263 /nfs/dbraw/zinc/46/72/63/573467263.db2.gz BHEJLZUDBWFIAG-QMMMGPOBSA-N 0 0 180.222 2.512 10 30 AFEERN N#CC[C@@H](F)c1ccccc1F 107275837 573467314 /nfs/dbraw/zinc/46/73/14/573467314.db2.gz QAUUJUOGWVYXOB-SECBINFHSA-N 0 0 167.158 2.750 10 30 AFEERN C=CC[C@@H](C)c1ccnn1CC1CC1 715816793 573467461 /nfs/dbraw/zinc/46/74/61/573467461.db2.gz YOZHRBAUSKENTB-SNVBAGLBSA-N 0 0 190.290 2.973 10 30 AFEERN CC(=O)c1c(C)[nH]c2cccc(C#N)c12 257815691 573467537 /nfs/dbraw/zinc/46/75/37/573467537.db2.gz BRSZZHYXBFANLA-UHFFFAOYSA-N 0 0 198.225 2.551 10 30 AFEERN C=CC[C@@H](C)Cc1cc(Cl)n(C)n1 715816713 573467586 /nfs/dbraw/zinc/46/75/86/573467586.db2.gz YIKPRGUCGZCZBQ-MRVPVSSYSA-N 0 0 198.697 2.828 10 30 AFEERN C[C@H]1CCC2=CC(=O)C[C@@H]2CC1 238409636 573467590 /nfs/dbraw/zinc/46/75/90/573467590.db2.gz WXFVNVLYIAMZFL-WPRPVWTQSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H](F)[C@@H](C=O)C1CCCCC1 257820849 573472190 /nfs/dbraw/zinc/47/21/90/573472190.db2.gz FSIAVOIJHGLUES-WCBMZHEXSA-N 0 0 172.243 2.740 10 30 AFEERN CC1=C2C(=O)[C@H](C)CC[C@H]2CC1 238410009 573472280 /nfs/dbraw/zinc/47/22/80/573472280.db2.gz WOCJPJMWQOAFIZ-RKDXNWHRSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)[C@@H]1CCCC[C@]1(O)CCC=O 308583125 573472332 /nfs/dbraw/zinc/47/23/32/573472332.db2.gz KVJIFLDAHQOJDV-RYUDHWBXSA-N 0 0 198.306 2.543 10 30 AFEERN CCC(CC)[C@@H](C)NC(C)(C)C#N 308391820 573472352 /nfs/dbraw/zinc/47/23/52/573472352.db2.gz ZZFKQNVVDKUMDX-SECBINFHSA-N 0 0 182.311 2.703 10 30 AFEERN CC(C)[C@H]1CCCC[C@@]1(O)CCC=O 308583131 573472522 /nfs/dbraw/zinc/47/25/22/573472522.db2.gz KVJIFLDAHQOJDV-VXGBXAGGSA-N 0 0 198.306 2.543 10 30 AFEERN C=CC[C@@H](CO)c1ccccc1CC 308583482 573472559 /nfs/dbraw/zinc/47/25/59/573472559.db2.gz KXSLROJFMHHCHN-LBPRGKRZSA-N 0 0 190.286 2.901 10 30 AFEERN C[C@@H]1CCC2(CC2)[C@@H](C#N)C1 259465707 573472604 /nfs/dbraw/zinc/47/26/04/573472604.db2.gz ASUHMNHHAXKOHT-RKDXNWHRSA-N 0 0 149.237 2.726 10 30 AFEERN C=CC[C@@](C)(C#N)c1cccc(N)c1 259466009 573472682 /nfs/dbraw/zinc/47/26/82/573472682.db2.gz GTPACPPSKQUCSQ-LBPRGKRZSA-N 0 0 186.258 2.626 10 30 AFEERN C[C@@H]1CC[C@]23C=CC(=O)[C@@H]2CC[C@@H]13 238414429 573480555 /nfs/dbraw/zinc/48/05/55/573480555.db2.gz GJYVZCDIUDJVSH-FYLLDIAZSA-N 0 0 176.259 2.568 10 30 AFEERN CC(=O)c1ccccc1[C@H](C)C#N 238414158 573480619 /nfs/dbraw/zinc/48/06/19/573480619.db2.gz AHQFIRBYEHJWNF-MRVPVSSYSA-N 0 0 173.215 2.516 10 30 AFEERN C[C@@H]1CCC[C@@]1(C#N)NC1CCCC1 83393380 573480632 /nfs/dbraw/zinc/48/06/32/573480632.db2.gz YYSDKUIOESIORS-PWSUYJOCSA-N 0 0 192.306 2.601 10 30 AFEERN Cc1cccc(C(C)C)c1NCC=O 258676147 573480719 /nfs/dbraw/zinc/48/07/19/573480719.db2.gz OZGBLSULAXVOLT-UHFFFAOYSA-N 0 0 191.274 2.729 10 30 AFEERN C[C@H](Cc1cccs1)[C@H]1O[C@@H]1C 238413582 573480725 /nfs/dbraw/zinc/48/07/25/573480725.db2.gz JGARCRKYYOQAGO-NQMVMOMDSA-N 0 0 182.288 2.714 10 30 AFEERN Cc1cccc(-c2c(C)noc2C#N)c1 259467198 573480885 /nfs/dbraw/zinc/48/08/85/573480885.db2.gz PPMDIOWYEKBRPW-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C=CC[C@@H]1CCCC[C@@]1(C)OCCO 308595133 573480941 /nfs/dbraw/zinc/48/09/41/573480941.db2.gz RJWYIZQUZYAFJL-VXGBXAGGSA-N 0 0 198.306 2.520 10 30 AFEERN O=C[C@@H]1C[C@@]1(c1ccccc1)C1CC1 257819585 573481228 /nfs/dbraw/zinc/48/12/28/573481228.db2.gz FITJGYGRUQZDLL-QWHCGFSZSA-N 0 0 186.254 2.553 10 30 AFEERN C=C1C=C[C@@]2(C)C(=O)CCC[C@@H]2C1 238414624 573484296 /nfs/dbraw/zinc/48/42/96/573484296.db2.gz LAMSPZUGMLGZLS-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN C=CC[C@H]1C=CSC1=S 222687954 573484299 /nfs/dbraw/zinc/48/42/99/573484299.db2.gz VKHOSKRXDRSHRX-LURJTMIESA-N 0 0 156.275 2.767 10 30 AFEERN CCCc1nc(CCC#N)cs1 259470792 573484338 /nfs/dbraw/zinc/48/43/38/573484338.db2.gz ZNFDLVRLUKMOML-UHFFFAOYSA-N 0 0 180.276 2.552 10 30 AFEERN Nc1ccc(CCCCS)cc1 145452670 573483527 /nfs/dbraw/zinc/48/35/27/573483527.db2.gz WZVIWUUVJIPDFO-UHFFFAOYSA-N 0 0 181.304 2.521 10 30 AFEERN O=C[C@@H]1C[C@]1(c1ccccc1)C1CC1 257819588 573483611 /nfs/dbraw/zinc/48/36/11/573483611.db2.gz FITJGYGRUQZDLL-STQMWFEESA-N 0 0 186.254 2.553 10 30 AFEERN CCCC/C=C/CC[C@H]1CO1 142829625 573483624 /nfs/dbraw/zinc/48/36/24/573483624.db2.gz KPHGVWFLRAWMDM-PORFMDCZSA-N 0 0 154.253 2.912 10 30 AFEERN CCOc1ccc([C@@H]2O[C@@H]2C)cc1C 259471111 573483665 /nfs/dbraw/zinc/48/36/65/573483665.db2.gz XOBXGNITFVHHNH-BXKDBHETSA-N 0 0 192.258 2.854 10 30 AFEERN CCOc1ccc([C@H]2O[C@@H]2C)cc1C 259471121 573483781 /nfs/dbraw/zinc/48/37/81/573483781.db2.gz XOBXGNITFVHHNH-SKDRFNHKSA-N 0 0 192.258 2.854 10 30 AFEERN C=C(C)[C@H](C)C(=O)C=C(C)C 238415237 573483834 /nfs/dbraw/zinc/48/38/34/573483834.db2.gz KWHXBAWRPTZQEN-VIFPVBQESA-N 0 0 152.237 2.734 10 30 AFEERN C[C@@H]1CCC[C@]1(C#N)N1CCCCC1 83395987 573484273 /nfs/dbraw/zinc/48/42/73/573484273.db2.gz SRHPHHOKUXXBNN-VXGBXAGGSA-N 0 0 192.306 2.555 10 30 AFEERN O=CCCc1c(F)ccc2occc12 258042409 573495317 /nfs/dbraw/zinc/49/53/17/573495317.db2.gz JUTVIXPLRAWYIS-UHFFFAOYSA-N 0 0 192.189 2.703 10 30 AFEERN CC[C@H](C#N)CNc1ccccc1F 258693762 573496176 /nfs/dbraw/zinc/49/61/76/573496176.db2.gz QPPYHXLJRYFPNS-SECBINFHSA-N 0 0 192.237 2.787 10 30 AFEERN C=CC1([C@H](C)O)CCCCC1 238420575 573495653 /nfs/dbraw/zinc/49/56/53/573495653.db2.gz NMZIDVFEIHJFIZ-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN C[C@@H]1CCC[C@H](C#N)CC1 83427416 573495782 /nfs/dbraw/zinc/49/57/82/573495782.db2.gz XCALEBOMHNGYJC-BDAKNGLRSA-N 0 0 137.226 2.726 10 30 AFEERN C[C@]12C=CCCC1=CC(=O)CC2 238420446 573495882 /nfs/dbraw/zinc/49/58/82/573495882.db2.gz PLDCWJOSCLOWDR-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C#CC12CCC(C(C)=O)(CC1)CC2 224936516 573495979 /nfs/dbraw/zinc/49/59/79/573495979.db2.gz OONHBOMDLKDNGM-UHFFFAOYSA-N 0 0 176.259 2.549 10 30 AFEERN Cc1ccc([C@@H](C)CC=O)c(O)c1C 258050459 573502910 /nfs/dbraw/zinc/50/29/10/573502910.db2.gz KPJZGWYLISTXQD-VIFPVBQESA-N 0 0 192.258 2.702 10 30 AFEERN CCN[C@]1(C#N)CCC[C@@H](CC)CC1 83436060 573503048 /nfs/dbraw/zinc/50/30/48/573503048.db2.gz XBWIBCYBMDQZIR-VXGBXAGGSA-N 0 0 194.322 2.849 10 30 AFEERN N#C[C@@H]1CCc2c1[nH]c1ccccc21 259479935 573503111 /nfs/dbraw/zinc/50/31/11/573503111.db2.gz BUCNDVHFILQOTO-QMMMGPOBSA-N 0 0 182.226 2.721 10 30 AFEERN CC[C@H]1CCC[C@@]2(CC1)CO2 83436938 573503115 /nfs/dbraw/zinc/50/31/15/573503115.db2.gz PYHOIBGPHRPZFK-VHSXEESVSA-N 0 0 154.253 2.746 10 30 AFEERN COc1cccc([C@@H](C)F)c1C#N 258050435 573503318 /nfs/dbraw/zinc/50/33/18/573503318.db2.gz REZFDSLWMJURPG-SSDOTTSWSA-N 0 0 179.194 2.597 10 30 AFEERN CC1(C)CCC[C@]2(CC1)CO2 83436936 573503340 /nfs/dbraw/zinc/50/33/40/573503340.db2.gz KNJVUBMHQLBVQX-JTQLQIEISA-N 0 0 154.253 2.746 10 30 AFEERN CC[C@@H]1CCC[C@@](C#N)(N(C)C)CC1 83436604 573503345 /nfs/dbraw/zinc/50/33/45/573503345.db2.gz QSGCSVJSDCFANV-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN CN[C@]1(C#N)CCC[C@H](C(C)C)CC1 83437755 573503499 /nfs/dbraw/zinc/50/34/99/573503499.db2.gz SCKUCDAVCPVKBQ-NWDGAFQWSA-N 0 0 194.322 2.704 10 30 AFEERN CN(c1ccccc1F)C(C)(C)C#N 258711078 573503592 /nfs/dbraw/zinc/50/35/92/573503592.db2.gz FJHYRIOLDSIUKD-UHFFFAOYSA-N 0 0 192.237 2.564 10 30 AFEERN N#CCc1nc2cccc(Cl)c2o1 107316205 573503613 /nfs/dbraw/zinc/50/36/13/573503613.db2.gz YFXTUFYJFSJNOM-UHFFFAOYSA-N 0 0 192.605 2.547 10 30 AFEERN C=C1CC(C)(C)C[C@@H](C)[C@@H]1C=O 238418863 573503623 /nfs/dbraw/zinc/50/36/23/573503623.db2.gz YXCZHBCRIVVTDF-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN SC[C@H]1CCNc2ccccc21 258048886 573505548 /nfs/dbraw/zinc/50/55/48/573505548.db2.gz IHIXHGUAVJDITO-MRVPVSSYSA-N 0 0 179.288 2.516 10 30 AFEERN CC(C)C[C@H]1SCC[C@@H]1C#N 259479474 573504936 /nfs/dbraw/zinc/50/49/36/573504936.db2.gz ADZJXKJWUCFIPC-RKDXNWHRSA-N 0 0 169.293 2.678 10 30 AFEERN SC[C@@H]1CCNc2ccccc21 258048889 573505028 /nfs/dbraw/zinc/50/50/28/573505028.db2.gz IHIXHGUAVJDITO-QMMMGPOBSA-N 0 0 179.288 2.516 10 30 AFEERN CCC[C@@H]1CCC[C@](N)(C#N)CC1 83437742 573505048 /nfs/dbraw/zinc/50/50/48/573505048.db2.gz RVIPLSPBOWNEQD-GHMZBOCLSA-N 0 0 180.295 2.588 10 30 AFEERN CCC[C@H]1CCC[C@](N)(C#N)CC1 83437743 573505123 /nfs/dbraw/zinc/50/51/23/573505123.db2.gz RVIPLSPBOWNEQD-WDEREUQCSA-N 0 0 180.295 2.588 10 30 AFEERN C=CC[C@H](C)[C@@H](O)C(C)(C)SC 714960699 573505127 /nfs/dbraw/zinc/50/51/27/573505127.db2.gz NUMMYZZDIIKEAU-DTWKUNHWSA-N 0 0 188.336 2.701 10 30 AFEERN CC[C@H]1CCC[C@@](C#N)(N(C)C)CC1 83436605 573505145 /nfs/dbraw/zinc/50/51/45/573505145.db2.gz QSGCSVJSDCFANV-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)[C@@H](C#N)CC1CCOCC1 259481064 573505149 /nfs/dbraw/zinc/50/51/49/573505149.db2.gz SJCDZLMCPRZKEH-LLVKDONJSA-N 0 0 181.279 2.599 10 30 AFEERN N#CCc1c(F)cc(F)c2ccoc12 258047863 573505254 /nfs/dbraw/zinc/50/52/54/573505254.db2.gz KLAQMCOBJIGHEC-UHFFFAOYSA-N 0 0 193.152 2.777 10 30 AFEERN C=C1C(=O)C=C[C@]2(C)CC=CC[C@@H]12 238419257 573505519 /nfs/dbraw/zinc/50/55/19/573505519.db2.gz WZBHJMZQLIRPDC-JQWIXIFHSA-N 0 0 174.243 2.654 10 30 AFEERN CC1(C)O[C@H]1c1cccs1 259123951 573606589 /nfs/dbraw/zinc/60/65/89/573606589.db2.gz DNCYZQHXULDIGT-ZETCQYMHSA-N 0 0 154.234 2.598 10 30 AFEERN C#CCCC(=O)C1=CCCCCC1 236395983 573606650 /nfs/dbraw/zinc/60/66/50/573606650.db2.gz LINVIYQJRAQBPZ-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN C/C(=C/c1ccccc1)[C@H]1C[C@@H]1C=O 224390219 573606780 /nfs/dbraw/zinc/60/67/80/573606780.db2.gz ZARPDNOQMPAYQL-ZBKFBRRISA-N 0 0 186.254 2.925 10 30 AFEERN C=C[C@H](C[C@@H](C)O)[Si](C)(C)C 197424698 573606782 /nfs/dbraw/zinc/60/67/82/573606782.db2.gz ZIQQAOMBZDUFHN-RKDXNWHRSA-N 0 0 172.344 2.652 10 30 AFEERN CC(C)[C@H](C#N)CC1CCOCC1 259481066 573506682 /nfs/dbraw/zinc/50/66/82/573506682.db2.gz SJCDZLMCPRZKEH-NSHDSACASA-N 0 0 181.279 2.599 10 30 AFEERN CCc1cc([C@@H]2O[C@H]2C)ccc1OC 258709690 573506771 /nfs/dbraw/zinc/50/67/71/573506771.db2.gz HRVCDMCDMASFME-QPUJVOFHSA-N 0 0 192.258 2.717 10 30 AFEERN N#CCn1ccc2cc(Cl)ccc21 75233809 573506883 /nfs/dbraw/zinc/50/68/83/573506883.db2.gz VXCWMZOPBIOVBG-UHFFFAOYSA-N 0 0 190.633 2.818 10 30 AFEERN Cc1ccc(CCC#N)n1C(C)C 259480832 573506896 /nfs/dbraw/zinc/50/68/96/573506896.db2.gz AJGTYEMKKFNEQU-UHFFFAOYSA-N 0 0 176.263 2.834 10 30 AFEERN CCc1cc([C@H]2O[C@@H]2C)ccc1OC 258709683 573506914 /nfs/dbraw/zinc/50/69/14/573506914.db2.gz HRVCDMCDMASFME-PELKAZGASA-N 0 0 192.258 2.717 10 30 AFEERN COCCCC(C)=NOC(C)(C)C 308396173 573508423 /nfs/dbraw/zinc/50/84/23/573508423.db2.gz DHLNHRVGHAXLNQ-UHFFFAOYSA-N 0 0 187.283 2.604 10 30 AFEERN C/N=C(\SC)C1CCCCC1 258709753 573508511 /nfs/dbraw/zinc/50/85/11/573508511.db2.gz NPFSOZVPRZQZBO-KTKRTIGZSA-N 0 0 171.309 2.958 10 30 AFEERN C=C(CC=O)CC(C)(C)C 258049234 573507908 /nfs/dbraw/zinc/50/79/08/573507908.db2.gz DBSRLUDAPSXELV-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@@H]1C=CC[C@@]2(C)C(=O)CC[C@@H]12 238419590 573508036 /nfs/dbraw/zinc/50/80/36/573508036.db2.gz OVXWBGFZEYBIDK-JFGNBEQYSA-N 0 0 176.259 2.734 10 30 AFEERN C=C1C(=O)C=C[C@]2(C)CC=CC[C@H]12 238418920 573508087 /nfs/dbraw/zinc/50/80/87/573508087.db2.gz WZBHJMZQLIRPDC-PWSUYJOCSA-N 0 0 174.243 2.654 10 30 AFEERN C=C1CC(C)(C)C[C@@H](C)[C@@H]1CO 238418873 573508174 /nfs/dbraw/zinc/50/81/74/573508174.db2.gz RNMUBAYBJMAFEO-NXEZZACHSA-N 0 0 168.280 2.607 10 30 AFEERN Cc1cccc(NCS)c1C 258709266 573508279 /nfs/dbraw/zinc/50/82/79/573508279.db2.gz SDWGKUFKTZKCFY-UHFFFAOYSA-N 0 0 167.277 2.603 10 30 AFEERN CCCC(=NOC)c1ccccc1 308400269 573508355 /nfs/dbraw/zinc/50/83/55/573508355.db2.gz GREYVYREOPQVGM-UHFFFAOYSA-N 0 0 177.247 2.837 10 30 AFEERN CC[C@H](C#N)Cc1cccs1 259483389 573508369 /nfs/dbraw/zinc/50/83/69/573508369.db2.gz SMKNRBNRMWLQCR-QMMMGPOBSA-N 0 0 165.261 2.840 10 30 AFEERN C[C@@H]1CCC[C@H]2C(=O)C=CC[C@@]12C 238422164 573514812 /nfs/dbraw/zinc/51/48/12/573514812.db2.gz CCFSTAMTLUTXNB-SCVCMEIPSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@@]1(C)CCC[C@@H](C)C1=O 238423184 573514873 /nfs/dbraw/zinc/51/48/73/573514873.db2.gz XCKISADUBZGOIL-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN CCc1ccc(N(C)[C@@H](C)C#N)cc1 258728331 573514133 /nfs/dbraw/zinc/51/41/33/573514133.db2.gz GTABEYXFMWFTRP-JTQLQIEISA-N 0 0 188.274 2.597 10 30 AFEERN CCCC(CC)=NNC[C@@H]1C[C@@H]1C 308397194 573514188 /nfs/dbraw/zinc/51/41/88/573514188.db2.gz FBKLRXAQZQQTCD-UWVGGRQHSA-N 0 0 182.311 2.798 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)[C@H](C)C(C)(C)C 308610053 573514248 /nfs/dbraw/zinc/51/42/48/573514248.db2.gz XXNACESGGXAXKM-AXFHLTTASA-N 0 0 197.322 2.969 10 30 AFEERN CCO[C@@H](CC=O)[C@H]1CC=C(C)CC1 238256294 573514890 /nfs/dbraw/zinc/51/48/90/573514890.db2.gz TVWWMDONFGWGIV-RYUDHWBXSA-N 0 0 196.290 2.727 10 30 AFEERN C=C1C=C[C@H]2C(=O)CCC[C@@]2(C)C1 238425705 573522117 /nfs/dbraw/zinc/52/21/17/573522117.db2.gz SGOUPOVBHMVGDD-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CO[C@]1(C)CC[C@H]2CCCC[C@@]21C=O 238423756 573521531 /nfs/dbraw/zinc/52/15/31/573521531.db2.gz GPGCDSZKECORDC-IJLUTSLNSA-N 0 0 196.290 2.561 10 30 AFEERN CN[C@@H](S)c1coc2ccccc12 259486650 573521544 /nfs/dbraw/zinc/52/15/44/573521544.db2.gz RARAKQMODRZKFX-JTQLQIEISA-N 0 0 193.271 2.581 10 30 AFEERN C=C[C@](C)(CC=C(C)C)[C@H](C)O 33608560 573521723 /nfs/dbraw/zinc/52/17/23/573521723.db2.gz VLWIAHOZUQCLJS-WDEREUQCSA-N 0 0 168.280 2.916 10 30 AFEERN CN[C@H](c1cccs1)C(C)(C)C#N 259489567 573521756 /nfs/dbraw/zinc/52/17/56/573521756.db2.gz REMDOZWXVQEPAW-SECBINFHSA-N 0 0 194.303 2.558 10 30 AFEERN CCc1cc2oc(C#N)c(N)c2s1 259487846 573521857 /nfs/dbraw/zinc/52/18/57/573521857.db2.gz OLHRJYUIHDLZJG-UHFFFAOYSA-N 0 0 192.243 2.511 10 30 AFEERN CC[C@H](C)N[C@@H](C#N)[C@@H](C)C(C)(C)C 308606721 573522604 /nfs/dbraw/zinc/52/26/04/573522604.db2.gz WTWMAGZRZJCQNO-AXFHLTTASA-N 0 0 196.338 2.949 10 30 AFEERN CN[C@@H](c1cccs1)C(C)(C)C#N 259489568 573522824 /nfs/dbraw/zinc/52/28/24/573522824.db2.gz REMDOZWXVQEPAW-VIFPVBQESA-N 0 0 194.303 2.558 10 30 AFEERN C[C@@H](C=O)[C@@H]1CCc2ccc(F)cc21 257826831 573522838 /nfs/dbraw/zinc/52/28/38/573522838.db2.gz HSCAPGTUIPTYFH-KWQFWETISA-N 0 0 192.233 2.691 10 30 AFEERN C=C[C@@H](CCCCCC)OC=O 33608101 573522849 /nfs/dbraw/zinc/52/28/49/573522849.db2.gz BNHJRSKWTCEYEL-JTQLQIEISA-N 0 0 170.252 2.684 10 30 AFEERN C[C@@H]1CCC[C@]2(C)C(=O)C=CC=C12 238425011 573523590 /nfs/dbraw/zinc/52/35/90/573523590.db2.gz RXWUGVVXMIDGSZ-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN CC[C@H](C#N)[C@@H]1Cc2ccoc2C1 259486754 573523671 /nfs/dbraw/zinc/52/36/71/573523671.db2.gz AUWNQNHIMFEMKD-PSASIEDQSA-N 0 0 175.231 2.544 10 30 AFEERN O=CC[C@@H](F)c1ccccc1Cl 257823402 573523798 /nfs/dbraw/zinc/52/37/98/573523798.db2.gz GMIJFYOYCMZARR-SECBINFHSA-N 0 0 186.613 2.940 10 30 AFEERN C/C(Cl)=C1\CC[C@@H](C)CC1=O 238425610 573523976 /nfs/dbraw/zinc/52/39/76/573523976.db2.gz BVKDSPUAEABJOG-VALLEEFXSA-N 0 0 172.655 2.888 10 30 AFEERN Cc1cc(C#N)ccc1Cn1cccc1 166351859 573524051 /nfs/dbraw/zinc/52/40/51/573524051.db2.gz ZBRHHOAVQLFFLI-UHFFFAOYSA-N 0 0 196.253 2.717 10 30 AFEERN CC[C@H](C#N)[C@H]1Cc2ccoc2C1 259486759 573524262 /nfs/dbraw/zinc/52/42/62/573524262.db2.gz AUWNQNHIMFEMKD-SCZZXKLOSA-N 0 0 175.231 2.544 10 30 AFEERN C=CC[C@@](C)(CO)c1ccccc1 33607103 573526537 /nfs/dbraw/zinc/52/65/37/573526537.db2.gz STSNKLAYQBTGNG-LBPRGKRZSA-N 0 0 176.259 2.513 10 30 AFEERN CC[C@@H](C#N)[C@H]1Cc2ccoc2C1 259486768 573526553 /nfs/dbraw/zinc/52/65/53/573526553.db2.gz AUWNQNHIMFEMKD-WPRPVWTQSA-N 0 0 175.231 2.544 10 30 AFEERN CC[C@H](C#N)c1nc(C(C)C)c(C)[nH]1 258750162 573526951 /nfs/dbraw/zinc/52/69/51/573526951.db2.gz RELOCZUCIOCHJX-SECBINFHSA-N 0 0 191.278 2.859 10 30 AFEERN O=C1C=CCCC1=CNc1ccccc1 308613687 573526970 /nfs/dbraw/zinc/52/69/70/573526970.db2.gz JOOHHDXJHZEQES-KHPPLWFESA-N 0 0 199.253 2.902 10 30 AFEERN CC[C@H](C)N[C@H](C#N)[C@H](C)C(C)(C)C 308606727 573527068 /nfs/dbraw/zinc/52/70/68/573527068.db2.gz WTWMAGZRZJCQNO-GARJFASQSA-N 0 0 196.338 2.949 10 30 AFEERN CCCSC1(C#N)CC(C)C1 83486558 573527240 /nfs/dbraw/zinc/52/72/40/573527240.db2.gz DQFCJYLJVLVVBU-UHFFFAOYSA-N 0 0 169.293 2.822 10 30 AFEERN C[C@H](C#N)OCc1ccc(Cl)cc1 83473802 573527264 /nfs/dbraw/zinc/52/72/64/573527264.db2.gz MQKXXGUKFLBBEE-MRVPVSSYSA-N 0 0 195.649 2.769 10 30 AFEERN C=C1C[C@@]2(C)CC(=O)[C@H](C)[C@@]2(C)C1 238434627 573542678 /nfs/dbraw/zinc/54/26/78/573542678.db2.gz DTVIEYZETJCQKS-ZMLRMANQSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@H](O)CC/C(C)=C\CCC#N 308617239 573542750 /nfs/dbraw/zinc/54/27/50/573542750.db2.gz BCPVDYDFJPETTL-HUMZTAOYSA-N 0 0 193.290 2.954 10 30 AFEERN CC1=CC(=O)C=C(C)[C@H](C)[C@H]1C 238435472 573541962 /nfs/dbraw/zinc/54/19/62/573541962.db2.gz GDEUVQIAUQYTLU-UWVGGRQHSA-N 0 0 164.248 2.734 10 30 AFEERN CCCc1csc(CCS)n1 259105050 573542122 /nfs/dbraw/zinc/54/21/22/573542122.db2.gz FICSTDXIAJMXCP-UHFFFAOYSA-N 0 0 187.333 2.568 10 30 AFEERN C=C(C)[C@@H](O)CC/C(C)=C\CCC#N 308617234 573542181 /nfs/dbraw/zinc/54/21/81/573542181.db2.gz BCPVDYDFJPETTL-DSDFTUOUSA-N 0 0 193.290 2.954 10 30 AFEERN C[C@@H]1CC[C@H](CC#N)C1(C)C 39111513 573542262 /nfs/dbraw/zinc/54/22/62/573542262.db2.gz AXRYRAJOZGKFNZ-RKDXNWHRSA-N 0 0 151.253 2.972 10 30 AFEERN CC[C@H](C#N)C1(CC(C)C)COC1 258767910 573542264 /nfs/dbraw/zinc/54/22/64/573542264.db2.gz SYCFDEQLVPFBKO-SNVBAGLBSA-N 0 0 181.279 2.599 10 30 AFEERN CC1(C)O[C@H]1c1ccc(F)cc1F 259500535 573542364 /nfs/dbraw/zinc/54/23/64/573542364.db2.gz ZPTNUAIBLNKKHR-VIFPVBQESA-N 0 0 184.185 2.815 10 30 AFEERN C=CC[C@@H](/C=C/C=C/CO)CC 238259776 573542370 /nfs/dbraw/zinc/54/23/70/573542370.db2.gz LUZAWDRIZZSZOX-MRIKEQQVSA-N 0 0 166.264 2.693 10 30 AFEERN C=C[C@@H]1C[C@H](/C=C\CO)[C@@H]2C=CC[C@@H]12 308626907 573544874 /nfs/dbraw/zinc/54/48/74/573544874.db2.gz NNRIIMRTAJGHDW-IKVDSHJNSA-N 0 0 190.286 2.549 10 30 AFEERN C=C(C)CC(=O)[C@H](CCC)OCC 131850504 573544950 /nfs/dbraw/zinc/54/49/50/573544950.db2.gz PCBALUHDCRFOQP-NSHDSACASA-N 0 0 184.279 2.727 10 30 AFEERN CC1(C)O[C@@H]1c1ccc(F)cc1F 259500530 573544222 /nfs/dbraw/zinc/54/42/22/573544222.db2.gz ZPTNUAIBLNKKHR-SECBINFHSA-N 0 0 184.185 2.815 10 30 AFEERN C[C@H]1CC[C@H](CC#N)C1(C)C 39111514 573544252 /nfs/dbraw/zinc/54/42/52/573544252.db2.gz AXRYRAJOZGKFNZ-DTWKUNHWSA-N 0 0 151.253 2.972 10 30 AFEERN Cc1ccsc1[C@H]1O[C@@H]1C 259500559 573544289 /nfs/dbraw/zinc/54/42/89/573544289.db2.gz ZPWIMYYUDMFHTJ-RQJHMYQMSA-N 0 0 154.234 2.516 10 30 AFEERN Cc1cc([C@@H]2OC2(C)C)ccc1F 259500633 573544334 /nfs/dbraw/zinc/54/43/34/573544334.db2.gz ZQLCMCBIDZBMCS-JTQLQIEISA-N 0 0 180.222 2.984 10 30 AFEERN CC[C@@H](C#N)C1(CC(C)C)COC1 258767908 573544582 /nfs/dbraw/zinc/54/45/82/573544582.db2.gz SYCFDEQLVPFBKO-JTQLQIEISA-N 0 0 181.279 2.599 10 30 AFEERN C=C[C@H]([C@@H](C)O)[C@@H](C)c1ccccc1 308626472 573544660 /nfs/dbraw/zinc/54/46/60/573544660.db2.gz MSHSUQMAVWFAEY-LOWVWBTDSA-N 0 0 190.286 2.973 10 30 AFEERN CC[C@@]1(c2cccc(C)c2)C[C@@H]1C=O 257824832 573544711 /nfs/dbraw/zinc/54/47/11/573544711.db2.gz GZZMOMZTRRNXEX-OLZOCXBDSA-N 0 0 188.270 2.862 10 30 AFEERN CCS[C@]1(C#N)CCC[C@H]1C 86658299 573544732 /nfs/dbraw/zinc/54/47/32/573544732.db2.gz FDAWXPFMSMFYIX-BDAKNGLRSA-N 0 0 169.293 2.822 10 30 AFEERN Cc1ccsc1[C@@H]1O[C@@H]1C 259500554 573544739 /nfs/dbraw/zinc/54/47/39/573544739.db2.gz ZPWIMYYUDMFHTJ-RNFRBKRXSA-N 0 0 154.234 2.516 10 30 AFEERN CCS[C@@]1(C#N)CCC[C@@H]1C 86658298 573544748 /nfs/dbraw/zinc/54/47/48/573544748.db2.gz FDAWXPFMSMFYIX-DTWKUNHWSA-N 0 0 169.293 2.822 10 30 AFEERN C=CC(C=C)[C@@H](O)c1ccc(F)cc1 238678038 573544754 /nfs/dbraw/zinc/54/47/54/573544754.db2.gz BINJTZDXOOVHIE-GFCCVEGCSA-N 0 0 192.233 2.847 10 30 AFEERN C/C=C\CC#C[C@@H](O)c1ccccc1 308626961 573544802 /nfs/dbraw/zinc/54/48/02/573544802.db2.gz NYARIDXVMZPMPY-XQJDBVBESA-N 0 0 186.254 2.690 10 30 AFEERN CCC(=O)C=C(SC)SC 197043732 573555797 /nfs/dbraw/zinc/55/57/97/573555797.db2.gz HIOPXAQWORSBBY-UHFFFAOYSA-N 0 0 176.306 2.533 10 30 AFEERN C=C[C@@H](C)[C@]1(C)C=CC=C(C)C1=O 238438510 573555829 /nfs/dbraw/zinc/55/58/29/573555829.db2.gz FVIULRASMZPQLW-PWSUYJOCSA-N 0 0 176.259 2.900 10 30 AFEERN CC1=C(C)[C@H](C)[C@](C)(Cl)C1=O 238439210 573556034 /nfs/dbraw/zinc/55/60/34/573556034.db2.gz BKTJSGFIYRYJLG-CBAPKCEASA-N 0 0 172.655 2.539 10 30 AFEERN C=C[C@@H](C)c1[nH]c(C)cc1C 238438777 573556162 /nfs/dbraw/zinc/55/61/62/573556162.db2.gz JAYDFMZNMIUPTC-SSDOTTSWSA-N 0 0 149.237 2.921 10 30 AFEERN CC(C)[C@H]1CCC2=CC(=O)C[C@]21C 211905639 573556229 /nfs/dbraw/zinc/55/62/29/573556229.db2.gz IIVNPYQVUWMOSA-VXGBXAGGSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H](CC(F)F)Cn1cccc1C#N 688740855 573556247 /nfs/dbraw/zinc/55/62/47/573556247.db2.gz SNJYUXBRFXOXSZ-QMMMGPOBSA-N 0 0 198.216 2.651 10 30 AFEERN C[C@H](O)/C=C/CC1(C#N)CCCCC1 238432531 573567597 /nfs/dbraw/zinc/56/75/97/573567597.db2.gz IEXZFGFWBKNBIT-QRGHLMKCSA-N 0 0 193.290 2.788 10 30 AFEERN Cc1ccc(N(C)[C@@H](C)C#N)c(C)c1 258780177 573567634 /nfs/dbraw/zinc/56/76/34/573567634.db2.gz LIJOOBLAPNRSIP-NSHDSACASA-N 0 0 188.274 2.652 10 30 AFEERN C[C@H](CC#N)N1CC2(CCCCC2)C1 86681202 573567636 /nfs/dbraw/zinc/56/76/36/573567636.db2.gz JPQRFBSCXNASGF-LLVKDONJSA-N 0 0 192.306 2.555 10 30 AFEERN CC/C=C\C(=O)c1ccccc1 145310195 573567698 /nfs/dbraw/zinc/56/76/98/573567698.db2.gz SLIYPUFGOLKLKM-OQFOIZHKSA-N 0 0 160.216 2.836 10 30 AFEERN C=CCCC[C@H](O)C(C)(C)C(C)=NO 308623398 573567724 /nfs/dbraw/zinc/56/77/24/573567724.db2.gz IBOOHLNFFCQIHW-JTQLQIEISA-N 0 0 199.294 2.580 10 30 AFEERN C=CC(=O)c1ccccc1C=C 145210021 573567750 /nfs/dbraw/zinc/56/77/50/573567750.db2.gz OYJPTWBRZRNPBN-UHFFFAOYSA-N 0 0 158.200 2.698 10 30 AFEERN Cc1ccc(C)n1C1(C#N)CCCC1 86681145 573567765 /nfs/dbraw/zinc/56/77/65/573567765.db2.gz XNGGKJFBYDBODI-UHFFFAOYSA-N 0 0 188.274 2.898 10 30 AFEERN Cc1ccc(C)n1[C@@H]1CCC[C@@H]1C#N 86681580 573567138 /nfs/dbraw/zinc/56/71/38/573567138.db2.gz MUPKGJYLQOKTJZ-VXGBXAGGSA-N 0 0 188.274 2.970 10 30 AFEERN CC[C@H](CC#N)N1CC2(CCCC2)C1 86681504 573567154 /nfs/dbraw/zinc/56/71/54/573567154.db2.gz FZFKFENEWAXBBM-LLVKDONJSA-N 0 0 192.306 2.555 10 30 AFEERN N#Cc1c(Cl)sc2c1CCC2 259512190 573567172 /nfs/dbraw/zinc/56/71/72/573567172.db2.gz RMDOSKGUMJFRRV-UHFFFAOYSA-N 0 0 183.663 2.762 10 30 AFEERN CC[C@@H](CC#N)N1CC2(CCCC2)C1 86681502 573567208 /nfs/dbraw/zinc/56/72/08/573567208.db2.gz FZFKFENEWAXBBM-NSHDSACASA-N 0 0 192.306 2.555 10 30 AFEERN C[C@H]1C(=O)C=C(Cl)CC1(C)C 238432903 573567239 /nfs/dbraw/zinc/56/72/39/573567239.db2.gz SLCDWRTVZMKZHP-LURJTMIESA-N 0 0 172.655 2.744 10 30 AFEERN C=CCC[C@@H](O)/C=C\c1cc(C)co1 308624312 573567793 /nfs/dbraw/zinc/56/77/93/573567793.db2.gz JBOUTLWADFGNJQ-JMEBYUIHSA-N 0 0 192.258 2.928 10 30 AFEERN C1C2CC3CC1CC(C[C@@H]1CO1)(C2)C3 145231010 573567322 /nfs/dbraw/zinc/56/73/22/573567322.db2.gz ZEGIVQUKRBNEAI-CRIDGIJHSA-N 0 0 192.302 2.992 10 30 AFEERN C=CCC[C@@H](O)/C=C/c1cc(C)co1 308624314 573567425 /nfs/dbraw/zinc/56/74/25/573567425.db2.gz JBOUTLWADFGNJQ-XUIVZRPNSA-N 0 0 192.258 2.928 10 30 AFEERN N#CC1(n2cccc2)CCCCC1 86681147 573567548 /nfs/dbraw/zinc/56/75/48/573567548.db2.gz FXVOAQSUGJOQNH-UHFFFAOYSA-N 0 0 174.247 2.671 10 30 AFEERN C[C@@H](C#N)CSc1ccc(N)cc1 238444926 573575595 /nfs/dbraw/zinc/57/55/95/573575595.db2.gz URBBPSWONHARKR-QMMMGPOBSA-N 0 0 192.287 2.521 10 30 AFEERN C[C@@H]1O[C@H]1c1c[nH]c2ccccc12 258792333 573575608 /nfs/dbraw/zinc/57/56/08/573575608.db2.gz MQLDDTQSIFZZOC-WRWORJQWSA-N 0 0 173.215 2.628 10 30 AFEERN N#Cc1c(NC2CC2)[nH]c2ccccc12 258790621 573574940 /nfs/dbraw/zinc/57/49/40/573574940.db2.gz RRTYDMFKDKJWOH-UHFFFAOYSA-N 0 0 197.241 2.614 10 30 AFEERN Cc1nc(CC#N)sc1CC(C)C 258792522 573575025 /nfs/dbraw/zinc/57/50/25/573575025.db2.gz MUEWYRUNXJABHL-UHFFFAOYSA-N 0 0 194.303 2.716 10 30 AFEERN Cc1cc(C(=O)[C@H](C)C#N)sc1C 83631509 573575115 /nfs/dbraw/zinc/57/51/15/573575115.db2.gz CUGBTFYWWYATDQ-SSDOTTSWSA-N 0 0 193.271 2.707 10 30 AFEERN Cc1cc(C(=O)[C@@H](C)C#N)sc1C 83631507 573575419 /nfs/dbraw/zinc/57/54/19/573575419.db2.gz CUGBTFYWWYATDQ-ZETCQYMHSA-N 0 0 193.271 2.707 10 30 AFEERN Cc1cc2ccn(C)c2cc1CCC#N 259520420 573589344 /nfs/dbraw/zinc/58/93/44/573589344.db2.gz SEZBNZSGYACDBM-UHFFFAOYSA-N 0 0 198.269 2.943 10 30 AFEERN CC[C@@H](C#N)N1CCCC(C)(C)CC1 83680501 573589369 /nfs/dbraw/zinc/58/93/69/573589369.db2.gz FYSVTIMVMBYWMN-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN C=C[C@]1(C(C)=O)C=CCC[C@H]1C 238443126 573589392 /nfs/dbraw/zinc/58/93/92/573589392.db2.gz UDSBIOYGHLGDMW-KOLCDFICSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@H]1C=CC2=CC(=O)CCC[C@@]21C 238443144 573588906 /nfs/dbraw/zinc/58/89/06/573588906.db2.gz UENMRSVZQVXKSV-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccc(-c2nc(C#N)c[nH]2)cc1C 259518999 573588934 /nfs/dbraw/zinc/58/89/34/573588934.db2.gz ARMWXDPFOFXJMT-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN CO[C@@H](C#N)c1ccc(C(F)F)cc1 124704706 573588948 /nfs/dbraw/zinc/58/89/48/573588948.db2.gz ZEENSBUQAMHNNC-VIFPVBQESA-N 0 0 197.184 2.835 10 30 AFEERN O=CCC(F)(F)c1cccc(F)c1 257833667 573589030 /nfs/dbraw/zinc/58/90/30/573589030.db2.gz KBDYQHMOISGNLT-UHFFFAOYSA-N 0 0 188.148 2.507 10 30 AFEERN C[C@@H]1C(=O)CCC[C@@H](C)[C@H]1CCC=O 238443705 573589051 /nfs/dbraw/zinc/58/90/51/573589051.db2.gz RLKJLIKOXCXHQT-OUAUKWLOSA-N 0 0 196.290 2.607 10 30 AFEERN C=C(C)[C@H]1C(=O)CCC[C@H]1C 238443744 573589126 /nfs/dbraw/zinc/58/91/26/573589126.db2.gz JRZRAVAVGKAPKN-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cc(C)cc(-c2ncc(C#N)o2)c1 259520645 573589187 /nfs/dbraw/zinc/58/91/87/573589187.db2.gz DCMZJMRDCQMKRR-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C[C@@H]1CCCC(=O)C2=CCC[C@@H]21 238443486 573589208 /nfs/dbraw/zinc/58/92/08/573589208.db2.gz SZKUTNJNQVPZTN-RKDXNWHRSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc([C@H]2CC[C@@H]2C=O)cc1 257833643 573589220 /nfs/dbraw/zinc/58/92/20/573589220.db2.gz KLBKMMGMWSNEJR-VXGBXAGGSA-N 0 0 174.243 2.688 10 30 AFEERN C=C(C)C[C@@](C)(CC)C(=O)OC 238276112 573593540 /nfs/dbraw/zinc/59/35/40/573593540.db2.gz BEAHNYCGKQEUOS-SNVBAGLBSA-N 0 0 170.252 2.542 10 30 AFEERN Cc1cccc([C@@](C)(C#N)CC#N)c1 259518929 573592877 /nfs/dbraw/zinc/59/28/77/573592877.db2.gz KSRHNCGGCMBSQS-GFCCVEGCSA-N 0 0 184.242 2.690 10 30 AFEERN CC(C)=C1CC[C@H](C#N)C1 75524974 573597411 /nfs/dbraw/zinc/59/74/11/573597411.db2.gz SZIUIOJLCALYSZ-QMMMGPOBSA-N 0 0 135.210 2.646 10 30 AFEERN O=C[C@@H]1CCSc2cc(F)ccc21 107432469 573597442 /nfs/dbraw/zinc/59/74/42/573597442.db2.gz UAJQAKZAYUMNTG-ZETCQYMHSA-N 0 0 196.246 2.604 10 30 AFEERN CC1=C[C@](C)(C#N)CCC1 75524973 573597447 /nfs/dbraw/zinc/59/74/47/573597447.db2.gz YHFKGXLJIZOYEH-SECBINFHSA-N 0 0 135.210 2.646 10 30 AFEERN CCc1ccc([C@@](C)(F)C=O)cc1 257835740 573597175 /nfs/dbraw/zinc/59/71/75/573597175.db2.gz KYJBTQYFEPJZBW-NSHDSACASA-N 0 0 180.222 2.633 10 30 AFEERN Cc1cc(F)ccc1SCC#N 259138092 573597318 /nfs/dbraw/zinc/59/73/18/573597318.db2.gz DKJGNCDSPABDQL-UHFFFAOYSA-N 0 0 181.235 2.750 10 30 AFEERN O/N=C(/Cl)c1ccc(C2CC2)cc1 236386998 573599776 /nfs/dbraw/zinc/59/97/76/573599776.db2.gz VYWUHQJHXQHUEI-ZRDIBKRKSA-N 0 0 195.649 2.939 10 30 AFEERN CC(C)Cn1cc(C#N)c(C(C)C)n1 259522166 573599788 /nfs/dbraw/zinc/59/97/88/573599788.db2.gz QPLGBXRAVCFBRH-UHFFFAOYSA-N 0 0 191.278 2.534 10 30 AFEERN CC[C@H](C#N)CNc1cccs1 259127787 573611052 /nfs/dbraw/zinc/61/10/52/573611052.db2.gz YUDIZNILEKNCPX-MRVPVSSYSA-N 0 0 180.276 2.710 10 30 AFEERN COc1cc(C#N)c2sccc2c1 238457266 573599247 /nfs/dbraw/zinc/59/92/47/573599247.db2.gz DQEIGARNINWMRK-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN C=C[C@@H]([NH2+]C)c1sccc1CC 130563198 573599335 /nfs/dbraw/zinc/59/93/35/573599335.db2.gz UDFCOEPOMHGQHZ-SECBINFHSA-N 0 0 181.304 2.757 10 30 AFEERN CCCC[C@H](C=O)C(C)C 75528926 573599425 /nfs/dbraw/zinc/59/94/25/573599425.db2.gz OGDMZPMAVHIUPM-SECBINFHSA-N 0 0 142.242 2.648 10 30 AFEERN Cc1ccc([C@@H]2[C@H](C)[C@@H]2C=O)cc1 238456837 573599727 /nfs/dbraw/zinc/59/97/27/573599727.db2.gz YTQONIPKSUOGOM-USWWRNFRSA-N 0 0 174.243 2.543 10 30 AFEERN C#CC[C@@H](C)Cc1ccc(O)cc1 238445814 573599735 /nfs/dbraw/zinc/59/97/35/573599735.db2.gz BEXWKZWBXFHEGE-SNVBAGLBSA-N 0 0 174.243 2.594 10 30 AFEERN C[C@@H](CC#N)[C@H]1CCCSC1 259616417 573613553 /nfs/dbraw/zinc/61/35/53/573613553.db2.gz HPNZWBSHWJKYTM-IUCAKERBSA-N 0 0 169.293 2.679 10 30 AFEERN CC(C)=CC(=O)c1cccc(C)c1O 211950252 573613642 /nfs/dbraw/zinc/61/36/42/573613642.db2.gz QCEMYVFTRWOIJK-UHFFFAOYSA-N 0 0 190.242 2.850 10 30 AFEERN C=C[C@@]1(C)CCc2cccc(O)c21 238449361 573613688 /nfs/dbraw/zinc/61/36/88/573613688.db2.gz SIHVDSAAMIATFD-LBPRGKRZSA-N 0 0 174.243 2.782 10 30 AFEERN CC1=CC(C)(C)[C@H](CCC=O)C1 75554824 573612959 /nfs/dbraw/zinc/61/29/59/573612959.db2.gz SSXFPSIUDLXMSJ-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@]1(C)CCc2cc(O)ccc21 238449340 573613020 /nfs/dbraw/zinc/61/30/20/573613020.db2.gz NERGYQZNSRXADO-LBPRGKRZSA-N 0 0 174.243 2.782 10 30 AFEERN C[C@@H](C#N)C[C@@]1(C)CCCC(=O)C1 238449586 573613094 /nfs/dbraw/zinc/61/30/94/573613094.db2.gz KIVHCPJIZLSLAN-MWLCHTKSSA-N 0 0 179.263 2.686 10 30 AFEERN C=C[C@]1(C)C(=O)[C@@H]2CCCCC[C@@H]21 238449770 573613133 /nfs/dbraw/zinc/61/31/33/573613133.db2.gz FJSCQRQDRIAALU-SCVCMEIPSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H]1CCCCC[C@@H](C=O)C1 238449201 573613153 /nfs/dbraw/zinc/61/31/53/573613153.db2.gz VZTKRTJCNKIOJW-NXEZZACHSA-N 0 0 154.253 2.792 10 30 AFEERN Cc1cc([C@H](C)CC#N)ccc1O 238449712 573613200 /nfs/dbraw/zinc/61/32/00/573613200.db2.gz XEEGFQQDROQAOO-MRVPVSSYSA-N 0 0 175.231 2.718 10 30 AFEERN C=C[C@]1(C)C(=O)[C@@H]2CCCC[C@@H]21 238449811 573613203 /nfs/dbraw/zinc/61/32/03/573613203.db2.gz WVJGONZMQVYPEY-YWVKMMECSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@H](C#N)C[C@@]1(C)CCCCC1=O 238449604 573613238 /nfs/dbraw/zinc/61/32/38/573613238.db2.gz ZDGCAOFHOJFHSC-MWLCHTKSSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@H]1CC(=O)C2=CCCCC[C@@H]21 238449934 573613259 /nfs/dbraw/zinc/61/32/59/573613259.db2.gz TWLXKUYFCVLSOC-DTWKUNHWSA-N 0 0 164.248 2.712 10 30 AFEERN COC(C)(C)[C@@H](C)CCCC#N 75558027 573613263 /nfs/dbraw/zinc/61/32/63/573613263.db2.gz USCHLKKDFMFPOV-VIFPVBQESA-N 0 0 169.268 2.741 10 30 AFEERN C[C@H]1CCC[C@@H](CCCC#N)C1=O 238449898 573613371 /nfs/dbraw/zinc/61/33/71/573613371.db2.gz SHDZKKOODWVJCP-VHSXEESVSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@H](CC#N)[C@@H]1CCCSC1 259616420 573613404 /nfs/dbraw/zinc/61/34/04/573613404.db2.gz HPNZWBSHWJKYTM-RKDXNWHRSA-N 0 0 169.293 2.679 10 30 AFEERN CCOC(C)(C)[C@@H](C)CCC#N 75558038 573613416 /nfs/dbraw/zinc/61/34/16/573613416.db2.gz YCLHNIJKKSFLMC-VIFPVBQESA-N 0 0 169.268 2.741 10 30 AFEERN COc1c(C)ccc(Cl)c1C#N 258070212 573613504 /nfs/dbraw/zinc/61/35/04/573613504.db2.gz MENMAVJGIFHFBB-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN O=C[C@H]1CCCCC12CCCC2 75554879 573613544 /nfs/dbraw/zinc/61/35/44/573613544.db2.gz BSGAUFHJIHDYDU-SNVBAGLBSA-N 0 0 166.264 2.936 10 30 AFEERN CC(=O)C[C@@H]1CCC[C@H](C)[C@@]1(C)C=O 238449626 573613973 /nfs/dbraw/zinc/61/39/73/573613973.db2.gz QVTHGOBUIBWEOK-ZMLRMANQSA-N 0 0 196.290 2.607 10 30 AFEERN CC1=CCCC(C)(C)[C@@]1(C)C=O 75554850 573614518 /nfs/dbraw/zinc/61/45/18/573614518.db2.gz XADRQJCKXFKAFM-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H]1CC(=O)C2=CCCCC[C@H]21 238449902 573614580 /nfs/dbraw/zinc/61/45/80/573614580.db2.gz TWLXKUYFCVLSOC-IUCAKERBSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccsc1CCCC=O 75557071 573614608 /nfs/dbraw/zinc/61/46/08/573614608.db2.gz QZGZZAMLQFOYHO-UHFFFAOYSA-N 0 0 168.261 2.578 10 30 AFEERN C/C=C(\[C@H](C)C=O)[Si](C)(C)C 217069065 573613988 /nfs/dbraw/zinc/61/39/88/573613988.db2.gz VQXBHMAKPBMLHU-GTUWVTDSSA-N 0 0 170.328 2.645 10 30 AFEERN C=C[C@]1(C)C(=O)[C@H]2CCCC[C@@H]21 238449793 573614040 /nfs/dbraw/zinc/61/40/40/573614040.db2.gz WVJGONZMQVYPEY-QXEWZRGKSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=C[C@@](C)(C=O)CC(C)(C)C1 75554872 573614048 /nfs/dbraw/zinc/61/40/48/573614048.db2.gz KKCPHDYYUNRYRI-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CO[C@@](C)(CC=O)C1CCCCCC1 257837495 573614052 /nfs/dbraw/zinc/61/40/52/573614052.db2.gz IZJLYYGFUCFUPB-LBPRGKRZSA-N 0 0 198.306 2.951 10 30 AFEERN C[C@@H]1CCCCC[C@H](C=O)C1 238449498 573614173 /nfs/dbraw/zinc/61/41/73/573614173.db2.gz VZTKRTJCNKIOJW-ZJUUUORDSA-N 0 0 154.253 2.792 10 30 AFEERN C[C@H]1CC(=O)C2=C1CC(C)(C)C2 238449768 573614185 /nfs/dbraw/zinc/61/41/85/573614185.db2.gz WMRPRQJAOHEYQD-ZETCQYMHSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1sccc1CCCC=O 75557066 573614187 /nfs/dbraw/zinc/61/41/87/573614187.db2.gz JIWYMBBNKLRYSX-UHFFFAOYSA-N 0 0 168.261 2.578 10 30 AFEERN CO[C@](C)(CC=O)C1CCCCCC1 257837494 573614334 /nfs/dbraw/zinc/61/43/34/573614334.db2.gz IZJLYYGFUCFUPB-GFCCVEGCSA-N 0 0 198.306 2.951 10 30 AFEERN C=C(C)c1cc(Cl)cc(CNO)c1 258070312 573614358 /nfs/dbraw/zinc/61/43/58/573614358.db2.gz MGYXFOROUREZFH-UHFFFAOYSA-N 0 0 197.665 2.852 10 30 AFEERN O=C[C@@H]1CCCCC12CCCC2 75554877 573614369 /nfs/dbraw/zinc/61/43/69/573614369.db2.gz BSGAUFHJIHDYDU-JTQLQIEISA-N 0 0 166.264 2.936 10 30 AFEERN CC[C@@H](C)[C@H](C#N)c1ccccn1 75564777 573616296 /nfs/dbraw/zinc/61/62/96/573616296.db2.gz GDCLNZNDQSSCIU-ZJUUUORDSA-N 0 0 174.247 2.735 10 30 AFEERN O=C(Cc1ccoc1)C1=CCCCC1 236404489 573616303 /nfs/dbraw/zinc/61/63/03/573616303.db2.gz BHTBSTFMFOOBDP-UHFFFAOYSA-N 0 0 190.242 2.892 10 30 AFEERN CC(=O)c1[nH]c2cc(C#N)ccc2c1C 259529914 573616346 /nfs/dbraw/zinc/61/63/46/573616346.db2.gz BQCIIMUZVMBDJS-UHFFFAOYSA-N 0 0 198.225 2.551 10 30 AFEERN CCC(C=O)(CC)SC(C)C 75564913 573616355 /nfs/dbraw/zinc/61/63/55/573616355.db2.gz NNSLDIRNUKRKPJ-UHFFFAOYSA-N 0 0 174.309 2.886 10 30 AFEERN C[C@@H](NCC#N)[C@H](C)C1CCCCC1 308642697 573616441 /nfs/dbraw/zinc/61/64/41/573616441.db2.gz FPQGGFXUZXWZKW-WDEREUQCSA-N 0 0 194.322 2.704 10 30 AFEERN C=CC[C@@]1(C)CC[C@H](C)CC1=O 238451004 573616156 /nfs/dbraw/zinc/61/61/56/573616156.db2.gz JTKZOEDNGXCCJV-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C)[C@H](C#N)c1ccccn1 75564787 573616219 /nfs/dbraw/zinc/61/62/19/573616219.db2.gz GDCLNZNDQSSCIU-UWVGGRQHSA-N 0 0 174.247 2.735 10 30 AFEERN CCc1ccc(C#N)c(CC)c1C 82399628 573616240 /nfs/dbraw/zinc/61/62/40/573616240.db2.gz YWBZERYKWXCRNE-UHFFFAOYSA-N 0 0 173.259 2.992 10 30 AFEERN C[C@]1(C=O)CC=C[C@H]2CCCC[C@@H]21 238450099 573616247 /nfs/dbraw/zinc/61/62/47/573616247.db2.gz GAWPTLRKVSUIEP-GRYCIOLGSA-N 0 0 178.275 2.958 10 30 AFEERN N#Cc1cc2cc(N)c(Cl)cc2o1 259529664 573617284 /nfs/dbraw/zinc/61/72/84/573617284.db2.gz YKJHWAKGLAVLTJ-UHFFFAOYSA-N 0 0 192.605 2.540 10 30 AFEERN C=C1C(=O)CC[C@@]12CC[C@H](C)C2 238450206 573616611 /nfs/dbraw/zinc/61/66/11/573616611.db2.gz JYAKPTXGBDFTMQ-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN N#C[C@H](F)Cc1ccc(Cl)cc1 259530700 573616826 /nfs/dbraw/zinc/61/68/26/573616826.db2.gz BCKRFIZWJKFOEB-SECBINFHSA-N 0 0 183.613 2.744 10 30 AFEERN C[C@H](NCC#N)[C@H](C)C1CCCCC1 308642695 573616889 /nfs/dbraw/zinc/61/68/89/573616889.db2.gz FPQGGFXUZXWZKW-QWRGUYRKSA-N 0 0 194.322 2.704 10 30 AFEERN C=CC(=O)C[C@@H](C)C=C(C)C 238450290 573616918 /nfs/dbraw/zinc/61/69/18/573616918.db2.gz GVOOBDPMHIOHEX-VIFPVBQESA-N 0 0 152.237 2.734 10 30 AFEERN C[C@H]1CC[C@@]2(C)CCC=C2C1=O 238450039 573616928 /nfs/dbraw/zinc/61/69/28/573616928.db2.gz DJAXJCYATXYVIE-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1[C@@H](C)CC(=O)CC1(C)C 238451003 573617189 /nfs/dbraw/zinc/61/71/89/573617189.db2.gz XGGYKFSYKKNTFK-ZETCQYMHSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@]1(C=O)CC=C[C@@H]2CCC[C@@H]21 238450081 573617214 /nfs/dbraw/zinc/61/72/14/573617214.db2.gz IMSSGDVNJMNVSU-GARJFASQSA-N 0 0 164.248 2.568 10 30 AFEERN COCC[C@]1(C#N)CCC[C@@H](C)C1 83776125 573621544 /nfs/dbraw/zinc/62/15/44/573621544.db2.gz WOESWFPVTWVUTH-GHMZBOCLSA-N 0 0 181.279 2.743 10 30 AFEERN N#CC1(CC[C@H]2CCCO2)CCC1 83776041 573621551 /nfs/dbraw/zinc/62/15/51/573621551.db2.gz FYEKGMFEZJHUCX-SNVBAGLBSA-N 0 0 179.263 2.639 10 30 AFEERN COCCC1(C#N)CCC(C)CC1 83776221 573621638 /nfs/dbraw/zinc/62/16/38/573621638.db2.gz VBJXDCREOZXASB-UHFFFAOYSA-N 0 0 181.279 2.743 10 30 AFEERN CC(C)CCC1(C#N)CCOCC1 83776256 573621772 /nfs/dbraw/zinc/62/17/72/573621772.db2.gz FRITTXYHJTWFSA-UHFFFAOYSA-N 0 0 181.279 2.743 10 30 AFEERN SCCc1cc2ccccc2[nH]1 259533268 573621802 /nfs/dbraw/zinc/62/18/02/573621802.db2.gz QKUHAYLHONWASA-UHFFFAOYSA-N 0 0 177.272 2.640 10 30 AFEERN C[C@@H]1CC2=C(C(=O)CC2)[C@H](C)C1 238452478 573621807 /nfs/dbraw/zinc/62/18/07/573621807.db2.gz JRJRAVLZGARQRE-JGVFFNPUSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)C[C@@]1(C#N)CCCCC1=O 83776592 573621852 /nfs/dbraw/zinc/62/18/52/573621852.db2.gz FUWHWALQHOCNAZ-LLVKDONJSA-N 0 0 179.263 2.686 10 30 AFEERN C=C1[C@@H](O)C[C@]2(C)[C@@H]3C=C(C)[C@H]1C[C@@H]32 224426169 573621920 /nfs/dbraw/zinc/62/19/20/573621920.db2.gz WTNCFARVFSIYIW-NAWOPXAZSA-N 0 0 190.286 2.526 10 30 AFEERN C[C@@H]1CCC[C@](C)(C#N)C1 83776145 573621943 /nfs/dbraw/zinc/62/19/43/573621943.db2.gz SHBPKMLEXHMFHC-BDAKNGLRSA-N 0 0 137.226 2.726 10 30 AFEERN N#Cc1cncc([C@H]2CCCS2)c1 259533236 573621965 /nfs/dbraw/zinc/62/19/65/573621965.db2.gz BGCIIZZHMNDYNO-SNVBAGLBSA-N 0 0 190.271 2.521 10 30 AFEERN CC[C@H](C)C[C@]1(C#N)CCCC1=O 83776744 573621984 /nfs/dbraw/zinc/62/19/84/573621984.db2.gz QSUXAZIMUPCRTF-ONGXEEELSA-N 0 0 179.263 2.686 10 30 AFEERN C=CCCCc1cc[nH]c1 198396132 573622034 /nfs/dbraw/zinc/62/20/34/573622034.db2.gz ZGGMMYHWAPZVQW-UHFFFAOYSA-N 0 0 135.210 2.523 10 30 AFEERN CC(C)(F)[C@H](CC=O)C1CCC1 257834147 573622043 /nfs/dbraw/zinc/62/20/43/573622043.db2.gz KOHVNYVOJMSGNZ-SECBINFHSA-N 0 0 172.243 2.740 10 30 AFEERN CC[C@@](C)(C#N)CC1CCOCC1 83775900 573622069 /nfs/dbraw/zinc/62/20/69/573622069.db2.gz UORKZDZYBDWRLM-LLVKDONJSA-N 0 0 181.279 2.743 10 30 AFEERN CC[C@@](C)(C#N)Cc1ccco1 83775730 573625252 /nfs/dbraw/zinc/62/52/52/573625252.db2.gz DOJBEGZZBBWYQA-SNVBAGLBSA-N 0 0 163.220 2.762 10 30 AFEERN CC(C)n1ccc(CC(C)(C)C#N)n1 83775570 573625304 /nfs/dbraw/zinc/62/53/04/573625304.db2.gz BIZROCPSXSIMSU-UHFFFAOYSA-N 0 0 191.278 2.556 10 30 AFEERN Cc1ncsc1CCC(C)(C)C#N 83775563 573625317 /nfs/dbraw/zinc/62/53/17/573625317.db2.gz HEPCMGWBQMGGSZ-UHFFFAOYSA-N 0 0 194.303 2.934 10 30 AFEERN CC[C@H](C)CC1(C#N)CCOCC1 83776293 573625331 /nfs/dbraw/zinc/62/53/31/573625331.db2.gz JNXCGELINFRPOP-JTQLQIEISA-N 0 0 181.279 2.743 10 30 AFEERN C[C@]1(CCCC#N)CCCC(=O)C1 75569582 573625334 /nfs/dbraw/zinc/62/53/34/573625334.db2.gz FLGKPZWXUMOYSM-NSHDSACASA-N 0 0 179.263 2.830 10 30 AFEERN N#CC1(CC2CCOCC2)CCCC1 83775696 573625372 /nfs/dbraw/zinc/62/53/72/573625372.db2.gz MBUCKOHPWXBSQQ-UHFFFAOYSA-N 0 0 193.290 2.887 10 30 AFEERN C[C@H]1CCC[C@@](C)(C#N)C1 83776144 573625452 /nfs/dbraw/zinc/62/54/52/573625452.db2.gz SHBPKMLEXHMFHC-DTWKUNHWSA-N 0 0 137.226 2.726 10 30 AFEERN N#CC1(Cc2ccsc2)CCC1 83776007 573625456 /nfs/dbraw/zinc/62/54/56/573625456.db2.gz SSKRTVGRGQTNLG-UHFFFAOYSA-N 0 0 177.272 2.984 10 30 AFEERN N#CC1(CC[C@@H]2CCCO2)CCC1 83776042 573625468 /nfs/dbraw/zinc/62/54/68/573625468.db2.gz FYEKGMFEZJHUCX-JTQLQIEISA-N 0 0 179.263 2.639 10 30 AFEERN CC[C@@H](C)CC(C)(C)C#N 83775611 573625518 /nfs/dbraw/zinc/62/55/18/573625518.db2.gz IURPAGKXROIHJY-MRVPVSSYSA-N 0 0 139.242 2.972 10 30 AFEERN N#CC1(Cc2ccccc2)CCC1 83775977 573625593 /nfs/dbraw/zinc/62/55/93/573625593.db2.gz SCVICJUWBCZFDM-UHFFFAOYSA-N 0 0 171.243 2.923 10 30 AFEERN CC[C@](C)(C#N)CC(C)C 83775801 573625645 /nfs/dbraw/zinc/62/56/45/573625645.db2.gz WNGKSWBNINDSQY-VIFPVBQESA-N 0 0 139.242 2.972 10 30 AFEERN C[C@H]1CCC[C@](C)(C#N)C1 83776146 573625702 /nfs/dbraw/zinc/62/57/02/573625702.db2.gz SHBPKMLEXHMFHC-IUCAKERBSA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@@](C)(C#N)Cc1cscn1 83775934 573625734 /nfs/dbraw/zinc/62/57/34/573625734.db2.gz QIHXIAGRURIYDE-SECBINFHSA-N 0 0 180.276 2.625 10 30 AFEERN C=C[C@@H]1C[C@@]2(C)CC(=O)C[C@@]12C 238453038 573625739 /nfs/dbraw/zinc/62/57/39/573625739.db2.gz JAYJQQCZMDUHBA-MIMYLULJSA-N 0 0 164.248 2.568 10 30 AFEERN CC[C@](C)(C#N)Cc1ccco1 83775729 573625850 /nfs/dbraw/zinc/62/58/50/573625850.db2.gz DOJBEGZZBBWYQA-JTQLQIEISA-N 0 0 163.220 2.762 10 30 AFEERN N#CC1(C[C@@H]2CCCO2)CCCC1 83775635 573625887 /nfs/dbraw/zinc/62/58/87/573625887.db2.gz XUXJJOWDRZWWGM-JTQLQIEISA-N 0 0 179.263 2.639 10 30 AFEERN C=C1C(=O)C[C@@H]2[C@H](C[C@@H]1C)C2(C)C 238454104 573625921 /nfs/dbraw/zinc/62/59/21/573625921.db2.gz BVCUINJLQFVTPP-UJNFCWOMSA-N 0 0 178.275 2.814 10 30 AFEERN CC[C@]1(C#N)CC[C@H](C)C1 83781871 573627329 /nfs/dbraw/zinc/62/73/29/573627329.db2.gz MFBGZWUTRRBZPF-IUCAKERBSA-N 0 0 137.226 2.726 10 30 AFEERN Cc1ccc2[nH]c3c(c2c1)C[C@@H](C#N)C3 259533709 573627333 /nfs/dbraw/zinc/62/73/33/573627333.db2.gz BYGBYKIKJHKUDU-SECBINFHSA-N 0 0 196.253 2.715 10 30 AFEERN Cc1cc(C)c(C[C@@H](C)C=O)c(C)c1 238453978 573627403 /nfs/dbraw/zinc/62/74/03/573627403.db2.gz MSIVZYHOTYEEID-SNVBAGLBSA-N 0 0 190.286 2.989 10 30 AFEERN CC[C@@H]1CCC[C@@H](OCC[C@H]2CO2)C1 308660058 573627465 /nfs/dbraw/zinc/62/74/65/573627465.db2.gz PHAGHTJOFJXUQB-UTUOFQBUSA-N 0 0 198.306 2.761 10 30 AFEERN C[C@H]1C=Cc2ccccc2[C@@]1(C)C=O 75577310 573627510 /nfs/dbraw/zinc/62/75/10/573627510.db2.gz KHNROPKRRMDZOC-GWCFXTLKSA-N 0 0 186.254 2.806 10 30 AFEERN CC#CCCCCNc1cnoc1C 308650224 573627684 /nfs/dbraw/zinc/62/76/84/573627684.db2.gz JZRLQWOMQKCWDY-UHFFFAOYSA-N 0 0 192.262 2.589 10 30 AFEERN C[C@](C#N)(CCC#N)c1ccccc1 75576626 573627688 /nfs/dbraw/zinc/62/76/88/573627688.db2.gz WUVVGBQIBSAMSH-GFCCVEGCSA-N 0 0 184.242 2.772 10 30 AFEERN CC[C@@](C)(C#N)N(C)c1ccccc1 75578837 573627697 /nfs/dbraw/zinc/62/76/97/573627697.db2.gz RXESMHTWRDDNCR-LBPRGKRZSA-N 0 0 188.274 2.815 10 30 AFEERN C[C@@H](CC#N)NCC1(F)CCCCC1 308650170 573628773 /nfs/dbraw/zinc/62/87/73/573628773.db2.gz JXNVAZSEFRXCMQ-JTQLQIEISA-N 0 0 198.285 2.551 10 30 AFEERN C[C@H]1C=Cc2ccccc2[C@]1(C)C=O 75577314 573628802 /nfs/dbraw/zinc/62/88/02/573628802.db2.gz KHNROPKRRMDZOC-GXFFZTMASA-N 0 0 186.254 2.806 10 30 AFEERN C[C@@H](C#N)C[C@]1(C)CCCCC1=O 238453445 573628101 /nfs/dbraw/zinc/62/81/01/573628101.db2.gz ZDGCAOFHOJFHSC-KOLCDFICSA-N 0 0 179.263 2.686 10 30 AFEERN CCCCOc1ccccc1CC#N 75579380 573628197 /nfs/dbraw/zinc/62/81/97/573628197.db2.gz JDUIGAQXOMAGIP-UHFFFAOYSA-N 0 0 189.258 2.932 10 30 AFEERN CCc1nc(C#N)c(-c2ccccc2)[nH]1 259535554 573628257 /nfs/dbraw/zinc/62/82/57/573628257.db2.gz CCGRWJCKOJWVNW-UHFFFAOYSA-N 0 0 197.241 2.511 10 30 AFEERN O=C[C@H]1CCC=C[C@H]1c1ccccc1 75577318 573628282 /nfs/dbraw/zinc/62/82/82/573628282.db2.gz BQEJGRDTUMVATJ-OLZOCXBDSA-N 0 0 186.254 2.935 10 30 AFEERN COc1cccc(C#N)c1[C@H](C)F 258072582 573628285 /nfs/dbraw/zinc/62/82/85/573628285.db2.gz UQWSSBVPEXSTMH-ZETCQYMHSA-N 0 0 179.194 2.597 10 30 AFEERN C=CC[C@@H]1CC[C@H]2C[C@@]2(C)C1=O 238454256 573628414 /nfs/dbraw/zinc/62/84/14/573628414.db2.gz QXMWFIJTPSLHCF-WCABBAIRSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)C[C@@H](C)[C@H]1CCCC1=O 238453929 573628465 /nfs/dbraw/zinc/62/84/65/573628465.db2.gz ONLYSFHDNBLURM-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H](C#N)C[C@]1(C)CCCC(=O)C1 238453434 573628483 /nfs/dbraw/zinc/62/84/83/573628483.db2.gz KIVHCPJIZLSLAN-KOLCDFICSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@H]1CC[C@]2(C)CCC(=O)C=C12 238453039 573628494 /nfs/dbraw/zinc/62/84/94/573628494.db2.gz CXVYLMOAPAMGIN-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@H](O)C1CCCCCC1 83779221 573628668 /nfs/dbraw/zinc/62/86/68/573628668.db2.gz WHBPINJSCGOISG-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C[C@H]1CC(=O)C[C@](C)(CCC#N)C1 238453082 573628697 /nfs/dbraw/zinc/62/86/97/573628697.db2.gz MNYLGAJHJNXMJL-GXSJLCMTSA-N 0 0 179.263 2.686 10 30 AFEERN Cc1ccc(NCC#N)c(C)c1C 258824517 573628709 /nfs/dbraw/zinc/62/87/09/573628709.db2.gz PLGYOUBRFXJAMF-UHFFFAOYSA-N 0 0 174.247 2.547 10 30 AFEERN CC[C@@]1(C#N)CC[C@H](C)C1 83781873 573630503 /nfs/dbraw/zinc/63/05/03/573630503.db2.gz MFBGZWUTRRBZPF-DTWKUNHWSA-N 0 0 137.226 2.726 10 30 AFEERN CC(=O)[C@](C)(C#N)CC1CCCC1 83776891 573629747 /nfs/dbraw/zinc/62/97/47/573629747.db2.gz BNYJPSYNJQNKDX-NSHDSACASA-N 0 0 179.263 2.686 10 30 AFEERN C[C@H](CC#N)NCC1(F)CCCCC1 308650171 573629766 /nfs/dbraw/zinc/62/97/66/573629766.db2.gz JXNVAZSEFRXCMQ-SNVBAGLBSA-N 0 0 198.285 2.551 10 30 AFEERN COCCC1(C#N)CCCCCC1 83778999 573629795 /nfs/dbraw/zinc/62/97/95/573629795.db2.gz KEDBITOCVPJIIX-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN C[C@@H]1CC[C@](C#N)(C[C@@H]2CCCO2)C1 83781847 573629802 /nfs/dbraw/zinc/62/98/02/573629802.db2.gz GTTLWEADFHRNEV-GRYCIOLGSA-N 0 0 193.290 2.885 10 30 AFEERN C=CCC(=C)C[C@@H](O)C(C)(C)C 135863740 573629883 /nfs/dbraw/zinc/62/98/83/573629883.db2.gz DKRSOEZYLGQVDF-SNVBAGLBSA-N 0 0 168.280 2.916 10 30 AFEERN Cc1cc(NC=NC#N)ccc1Cl 238459014 573629936 /nfs/dbraw/zinc/62/99/36/573629936.db2.gz BUEMAONJSNTNOG-UHFFFAOYSA-N 0 0 193.637 2.570 10 30 AFEERN COc1cccc(C#N)c1[C@@H](C)F 258072581 573629939 /nfs/dbraw/zinc/62/99/39/573629939.db2.gz UQWSSBVPEXSTMH-SSDOTTSWSA-N 0 0 179.194 2.597 10 30 AFEERN C=C[C@H](CC)OC(=O)C(CC)CC 308409538 573630029 /nfs/dbraw/zinc/63/00/29/573630029.db2.gz LDHRUXHHTMATJN-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN CC1=C(C)[C@](C)(C=O)c2ccccc21 75577327 573630046 /nfs/dbraw/zinc/63/00/46/573630046.db2.gz CJAHFBHNOKHZRF-ZDUSSCGKSA-N 0 0 186.254 2.950 10 30 AFEERN Cc1cccc2occ(C#N)c12 238459949 573630079 /nfs/dbraw/zinc/63/00/79/573630079.db2.gz OICGGRAZUSCLAK-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN CC[C@@H]1CCC[C@@H](OCC[C@@H]2CO2)C1 308660057 573630095 /nfs/dbraw/zinc/63/00/95/573630095.db2.gz PHAGHTJOFJXUQB-IJLUTSLNSA-N 0 0 198.306 2.761 10 30 AFEERN C=C[C@H]1[C@H](C)C(=O)CCC1(C)C 238459785 573630108 /nfs/dbraw/zinc/63/01/08/573630108.db2.gz KDLWOLXOFSATQD-IUCAKERBSA-N 0 0 166.264 2.814 10 30 AFEERN CCCC[C@]1(C#N)CCCC[C@@H]1O 75575771 573630131 /nfs/dbraw/zinc/63/01/31/573630131.db2.gz YLEPMLTYWWCGBK-WDEREUQCSA-N 0 0 181.279 2.621 10 30 AFEERN C[C@@H]1CC[C@@](C#N)(C[C@@H]2CCCO2)C1 83781851 573630135 /nfs/dbraw/zinc/63/01/35/573630135.db2.gz GTTLWEADFHRNEV-WOPDTQHZSA-N 0 0 193.290 2.885 10 30 AFEERN CC1=C(C)[C@@](C)(C=O)c2ccccc21 75577325 573630163 /nfs/dbraw/zinc/63/01/63/573630163.db2.gz CJAHFBHNOKHZRF-CYBMUJFWSA-N 0 0 186.254 2.950 10 30 AFEERN Cc1cc2cc(CCC#N)ccc2[nH]1 259132082 573630230 /nfs/dbraw/zinc/63/02/30/573630230.db2.gz HZGBQHFFEXQKBA-UHFFFAOYSA-N 0 0 184.242 2.933 10 30 AFEERN Cc1cc(C)c(O)c(C[C@@H](C)C#N)c1 238454622 573630233 /nfs/dbraw/zinc/63/02/33/573630233.db2.gz TXBCGMXIGYDKFE-SECBINFHSA-N 0 0 189.258 2.711 10 30 AFEERN CC[C@@]1(C#N)CC[C@@H](C)C1 83781876 573630337 /nfs/dbraw/zinc/63/03/37/573630337.db2.gz MFBGZWUTRRBZPF-RKDXNWHRSA-N 0 0 137.226 2.726 10 30 AFEERN CC1(C)C=Cc2ccc(C#N)cc2O1 75576886 573630393 /nfs/dbraw/zinc/63/03/93/573630393.db2.gz XJGVFLLZSDKWAD-UHFFFAOYSA-N 0 0 185.226 2.742 10 30 AFEERN O=C[C@@H]1CCC=C[C@H]1c1ccccc1 75577322 573630477 /nfs/dbraw/zinc/63/04/77/573630477.db2.gz BQEJGRDTUMVATJ-STQMWFEESA-N 0 0 186.254 2.935 10 30 AFEERN C[C@@H](Cc1ccccc1)OCCC#N 75579344 573631385 /nfs/dbraw/zinc/63/13/85/573631385.db2.gz MABKSTGWGYLVSM-NSHDSACASA-N 0 0 189.258 2.548 10 30 AFEERN CC(C)(C#N)CCCOCC(F)F 130633047 573631442 /nfs/dbraw/zinc/63/14/42/573631442.db2.gz DWLVFBYCWWZZIK-UHFFFAOYSA-N 0 0 191.221 2.598 10 30 AFEERN CC[C@@H](C#N)c1nccc(C(C)C)n1 259144194 573631450 /nfs/dbraw/zinc/63/14/50/573631450.db2.gz RHTLOWMHTVFGPS-VIFPVBQESA-N 0 0 189.262 2.617 10 30 AFEERN C[C@H]1[C@H](C=O)C(C)(C)C1(C)C 238459974 573631513 /nfs/dbraw/zinc/63/15/13/573631513.db2.gz FGCRAVWMBOYPGB-YUMQZZPRSA-N 0 0 154.253 2.504 10 30 AFEERN CC[C@H](C#N)c1nccc(C(C)C)n1 259144191 573631529 /nfs/dbraw/zinc/63/15/29/573631529.db2.gz RHTLOWMHTVFGPS-SECBINFHSA-N 0 0 189.262 2.617 10 30 AFEERN CC[C@@H](CC#N)c1ccc(C)cn1 259532962 573631559 /nfs/dbraw/zinc/63/15/59/573631559.db2.gz AGHDKJFEQOJXOY-JTQLQIEISA-N 0 0 174.247 2.797 10 30 AFEERN CNN=CC[C@@H](C)CCC=C(C)C 308409547 573631571 /nfs/dbraw/zinc/63/15/71/573631571.db2.gz LDLBZRFQKVUCKF-NSHDSACASA-N 0 0 182.311 2.964 10 30 AFEERN COc1ccc(SCS)cc1 259143258 573631669 /nfs/dbraw/zinc/63/16/69/573631669.db2.gz FAMSVEYJVUQNKJ-UHFFFAOYSA-N 0 0 186.301 2.675 10 30 AFEERN C=C(c1ccccc1)[C@H](C)[C@H](C)O 238454718 573631750 /nfs/dbraw/zinc/63/17/50/573631750.db2.gz BUAHCRMNCBSQBX-ONGXEEELSA-N 0 0 176.259 2.717 10 30 AFEERN ON=CCCC1CCCCC1 254750935 573631777 /nfs/dbraw/zinc/63/17/77/573631777.db2.gz VDRDMGIQYQGURP-UHFFFAOYSA-N 0 0 155.241 2.807 10 30 AFEERN Cc1cc(C)cc(CC[C@@H]2CO2)c1 107483112 573631877 /nfs/dbraw/zinc/63/18/77/573631877.db2.gz WRZSQPMCMWIVLU-GFCCVEGCSA-N 0 0 176.259 2.635 10 30 AFEERN O=C[C@H]1C/C1=C\c1ccc(Cl)cc1 198404798 573634378 /nfs/dbraw/zinc/63/43/78/573634378.db2.gz WHHGSFKYRFKQSR-NAZIUFLLSA-N 0 0 192.645 2.942 10 30 AFEERN CC(=C/c1cccc(O)c1)/C(C)=N/O 96587113 573634414 /nfs/dbraw/zinc/63/44/14/573634414.db2.gz BCFHFYYZUAQGSX-ZHAQITPWSA-N 0 0 191.230 2.646 10 30 AFEERN C[C@@H]1CCCC[C@]1(C=O)CCC#N 238461141 573634565 /nfs/dbraw/zinc/63/45/65/573634565.db2.gz GLLVXUMJINXALJ-GHMZBOCLSA-N 0 0 179.263 2.686 10 30 AFEERN C=C1CC(C)(C)C[C@H](C)[C@@H]1C=O 238460327 573634629 /nfs/dbraw/zinc/63/46/29/573634629.db2.gz YXCZHBCRIVVTDF-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN CC(=C/c1ccc(O)cc1)/C(C)=N/O 96587088 573634745 /nfs/dbraw/zinc/63/47/45/573634745.db2.gz QSJUNSRXHKFZTE-HVTAIUIQSA-N 0 0 191.230 2.646 10 30 AFEERN C=C[C@H](O)[C@@H]1CC=C(C)C[C@@H]1C 238464432 573634801 /nfs/dbraw/zinc/63/48/01/573634801.db2.gz VZXXGZDATGQUCW-AXFHLTTASA-N 0 0 166.264 2.526 10 30 AFEERN CCOc1cc(C)c(CC#N)c(C)c1 84911271 573634887 /nfs/dbraw/zinc/63/48/87/573634887.db2.gz WVHUJPRRLKIAQA-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN C=CCSc1cc(O)ccc1C 238460704 573634889 /nfs/dbraw/zinc/63/48/89/573634889.db2.gz CGEHITRSOARWAK-UHFFFAOYSA-N 0 0 180.272 2.979 10 30 AFEERN CC[C@@H](C#N)C(=O)c1cscc1C 86815695 573634944 /nfs/dbraw/zinc/63/49/44/573634944.db2.gz UWFVLAFRQRBPSF-QMMMGPOBSA-N 0 0 193.271 2.789 10 30 AFEERN C=C(C)C[C@@H]1CCCC(=O)[C@H]1C 238460567 573635871 /nfs/dbraw/zinc/63/58/71/573635871.db2.gz BWTJGAOUKMJEAM-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H](C=O)[C@H]1CC(C)(C)C[C@@H]1C 238460811 573635954 /nfs/dbraw/zinc/63/59/54/573635954.db2.gz MIGLSAUGGYMUTK-AEJSXWLSSA-N 0 0 168.280 2.894 10 30 AFEERN CCOc1c(C)cc(C)cc1CC#N 84912647 573636070 /nfs/dbraw/zinc/63/60/70/573636070.db2.gz JUPLECFAQUTUPY-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN C=C1CC(C)(C)C[C@H](C)[C@H]1CO 238460310 573636483 /nfs/dbraw/zinc/63/64/83/573636483.db2.gz RNMUBAYBJMAFEO-UWVGGRQHSA-N 0 0 168.280 2.607 10 30 AFEERN COc1ccccc1-c1c[nH]c(C#N)c1 259145436 573637909 /nfs/dbraw/zinc/63/79/09/573637909.db2.gz JALVLMIHRSRREK-UHFFFAOYSA-N 0 0 198.225 2.562 10 30 AFEERN C[C@@H]1c2ccccc2CC[C@H]1CC=O 238461298 573637371 /nfs/dbraw/zinc/63/73/71/573637371.db2.gz RLOXSIQAALNRSV-QWRGUYRKSA-N 0 0 188.270 2.942 10 30 AFEERN CC[C@@]1(C#N)COc2ccccc2C1 83791952 573637389 /nfs/dbraw/zinc/63/73/89/573637389.db2.gz WRNSEJZFIPTXGC-GFCCVEGCSA-N 0 0 187.242 2.541 10 30 AFEERN SCSc1cccs1 259145361 573637493 /nfs/dbraw/zinc/63/74/93/573637493.db2.gz FBENMJAUHBETAU-UHFFFAOYSA-N 0 0 162.304 2.728 10 30 AFEERN C[C@H]1[C@H](CC=O)CCC1(C)C 238461271 573637602 /nfs/dbraw/zinc/63/76/02/573637602.db2.gz IQVNPNPWXMCACK-IUCAKERBSA-N 0 0 154.253 2.648 10 30 AFEERN COc1ccc(CC#N)c2ccccc12 84917247 573637619 /nfs/dbraw/zinc/63/76/19/573637619.db2.gz KVZCZUJRHFKBIV-UHFFFAOYSA-N 0 0 197.237 2.914 10 30 AFEERN C#CCCC(=O)[C@@H]1CC[C@@H](CC)C1 83797900 573637627 /nfs/dbraw/zinc/63/76/27/573637627.db2.gz LHHCLVBOBXPAEE-GHMZBOCLSA-N 0 0 178.275 2.795 10 30 AFEERN Cc1cc(C)c2c(CC#N)nccc2c1 259538987 573640463 /nfs/dbraw/zinc/64/04/63/573640463.db2.gz CITLPXZJQXGYGH-UHFFFAOYSA-N 0 0 196.253 2.918 10 30 AFEERN Cc1ccc2c(CS)c[nH]c2c1 257845645 573640480 /nfs/dbraw/zinc/64/04/80/573640480.db2.gz ADPDSRWFFDECMA-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN CC[C@@]1(C#N)CCc2ccccc21 83792016 573640593 /nfs/dbraw/zinc/64/05/93/573640593.db2.gz IUNKVUVXCPRMOR-LBPRGKRZSA-N 0 0 171.243 2.804 10 30 AFEERN C#CC[C@H](C)c1ccccc1O 107554382 573640646 /nfs/dbraw/zinc/64/06/46/573640646.db2.gz UPGDJVHYHFADJH-VIFPVBQESA-N 0 0 160.216 2.519 10 30 AFEERN CC[C@]1(C#N)CCc2ccccc21 83792014 573640656 /nfs/dbraw/zinc/64/06/56/573640656.db2.gz IUNKVUVXCPRMOR-GFCCVEGCSA-N 0 0 171.243 2.804 10 30 AFEERN N#Cc1nccc2ccc3ccoc3c12 259537133 573640666 /nfs/dbraw/zinc/64/06/66/573640666.db2.gz CEXCHWWEYRZDSB-UHFFFAOYSA-N 0 0 194.193 2.853 10 30 AFEERN Cc1ccc(-c2ncc(CC#N)o2)cc1 238479657 573640684 /nfs/dbraw/zinc/64/06/84/573640684.db2.gz KVVQHOZDCXSXSP-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN C[C@]1(C#N)CCc2ccccc2C1 83792064 573640725 /nfs/dbraw/zinc/64/07/25/573640725.db2.gz LCIATKVCAZQTSW-LBPRGKRZSA-N 0 0 171.243 2.705 10 30 AFEERN C=C[C@H](C)Cc1ccccc1O 107554691 573640875 /nfs/dbraw/zinc/64/08/75/573640875.db2.gz PACKKQFPOAJBTH-VIFPVBQESA-N 0 0 162.232 2.757 10 30 AFEERN Cc1cc(C#N)c(N2CCCC2)s1 259538726 573642916 /nfs/dbraw/zinc/64/29/16/573642916.db2.gz UWNVONFGMXJYTM-UHFFFAOYSA-N 0 0 192.287 2.528 10 30 AFEERN CC1(C)CCCC[C@H]1C#N 86844915 573642984 /nfs/dbraw/zinc/64/29/84/573642984.db2.gz VBIFYHWGAPFSKM-QMMMGPOBSA-N 0 0 137.226 2.726 10 30 AFEERN C[C@@H]1[C@H](O)[C@@](C#N)(C(C)(C)C)C1(C)C 238463341 573643357 /nfs/dbraw/zinc/64/33/57/573643357.db2.gz SMGGQINXTABQDY-PTRXPTGYSA-N 0 0 195.306 2.579 10 30 AFEERN C[C@H](S)C1(c2ccccc2O)CC1 257838902 573643396 /nfs/dbraw/zinc/64/33/96/573643396.db2.gz BBQJTLKXRCKODS-QMMMGPOBSA-N 0 0 194.299 2.742 10 30 AFEERN N#Cc1cc(N)c(CCC2CC2)s1 259537103 573643511 /nfs/dbraw/zinc/64/35/11/573643511.db2.gz CEESQSBOMDCDOL-UHFFFAOYSA-N 0 0 192.287 2.545 10 30 AFEERN C=C[C@H](O)[C@H]1CC=C(C)C[C@@H]1C 238464210 573647589 /nfs/dbraw/zinc/64/75/89/573647589.db2.gz VZXXGZDATGQUCW-DCAQKATOSA-N 0 0 166.264 2.526 10 30 AFEERN Cc1cc2ccnc(CC#N)c2cc1C 259540739 573647751 /nfs/dbraw/zinc/64/77/51/573647751.db2.gz CNQWABYYNDHRIG-UHFFFAOYSA-N 0 0 196.253 2.918 10 30 AFEERN C[C@]1(c2ccc(Cl)cc2)C[C@@H]1C=O 238466229 573648631 /nfs/dbraw/zinc/64/86/31/573648631.db2.gz DSZYJSXTYCGXLM-MWLCHTKSSA-N 0 0 194.661 2.817 10 30 AFEERN CSc1ccc([C@](C)(F)C=O)cc1 257840508 573648683 /nfs/dbraw/zinc/64/86/83/573648683.db2.gz JWJJCMJBOHEISJ-SNVBAGLBSA-N 0 0 198.262 2.792 10 30 AFEERN Cc1cccc2c1c(CCC#N)cn2C 259541458 573648707 /nfs/dbraw/zinc/64/87/07/573648707.db2.gz GITFBNBARCDHFV-UHFFFAOYSA-N 0 0 198.269 2.943 10 30 AFEERN C[C@]1(c2ccc(Cl)cc2)C[C@H]1C=O 238466240 573648728 /nfs/dbraw/zinc/64/87/28/573648728.db2.gz DSZYJSXTYCGXLM-GXSJLCMTSA-N 0 0 194.661 2.817 10 30 AFEERN CC[C@@H](C#N)[C@@]1(O)CCCCC1(C)C 86850564 573648749 /nfs/dbraw/zinc/64/87/49/573648749.db2.gz GOJHYRJTPQVTJO-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@]1(C=O)CCC[C@@]2(C)C=CC=C12 238466618 573648764 /nfs/dbraw/zinc/64/87/64/573648764.db2.gz LTHULIWXISBBEO-VXGBXAGGSA-N 0 0 176.259 2.878 10 30 AFEERN C=CC[C@H]1CCCC[C@]1(C)C=O 238466451 573648840 /nfs/dbraw/zinc/64/88/40/573648840.db2.gz NTPWCVZBVIEPAJ-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=O)c1cc(C)c(C)cc1F 107770571 573648854 /nfs/dbraw/zinc/64/88/54/573648854.db2.gz LRKLHUVMIACRKV-UHFFFAOYSA-N 0 0 178.206 2.811 10 30 AFEERN N#CCC1(c2ccc3ncoc3c2)CC1 259540716 573648909 /nfs/dbraw/zinc/64/89/09/573648909.db2.gz CNNPHSVWONXXOR-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN CC[C@@H](C)c1ccc(NCC=O)cc1 258831989 573648980 /nfs/dbraw/zinc/64/89/80/573648980.db2.gz HDPUIDKYIASTME-SNVBAGLBSA-N 0 0 191.274 2.811 10 30 AFEERN CC[C@H](C)c1ccc(NCC=O)cc1 258831984 573649034 /nfs/dbraw/zinc/64/90/34/573649034.db2.gz HDPUIDKYIASTME-JTQLQIEISA-N 0 0 191.274 2.811 10 30 AFEERN Cc1cc2cc(CCC=O)ccc2o1 258080682 573649076 /nfs/dbraw/zinc/64/90/76/573649076.db2.gz NCBMQAXXXCUUTA-UHFFFAOYSA-N 0 0 188.226 2.873 10 30 AFEERN CCO[C@@]1(C#N)CCCCC1(C)C 86850420 573649078 /nfs/dbraw/zinc/64/90/78/573649078.db2.gz VJOPLBCSNCUFIG-LLVKDONJSA-N 0 0 181.279 2.885 10 30 AFEERN C[C@@H](C#N)N(C)CCC1CCCCC1 258829939 573649126 /nfs/dbraw/zinc/64/91/26/573649126.db2.gz PYVHTLXSSBTWOW-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN C[C@@H]1C=CC2=CC(=O)CC[C@]2(C)C1 238465997 573649272 /nfs/dbraw/zinc/64/92/72/573649272.db2.gz FWTDYNBWCCPHTD-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@]1(C=O)CCC[C@]2(C)C=CC=C12 238466663 573649380 /nfs/dbraw/zinc/64/93/80/573649380.db2.gz LTHULIWXISBBEO-NWDGAFQWSA-N 0 0 176.259 2.878 10 30 AFEERN CCO[C@]1(C#N)CCCCC1(C)C 86850419 573651422 /nfs/dbraw/zinc/65/14/22/573651422.db2.gz VJOPLBCSNCUFIG-NSHDSACASA-N 0 0 181.279 2.885 10 30 AFEERN CC1(C)CCCC[C@@]12CC(=O)C=CO2 86850119 573651861 /nfs/dbraw/zinc/65/18/61/573651861.db2.gz NYLSHACYVQMQPL-GFCCVEGCSA-N 0 0 194.274 2.829 10 30 AFEERN O=C[C@@H](F)c1ccc(F)c(Cl)c1 257840307 573651951 /nfs/dbraw/zinc/65/19/51/573651951.db2.gz LWZDNGUKQJLIFS-MRVPVSSYSA-N 0 0 190.576 2.689 10 30 AFEERN C=CCCCC(=O)[C@H](OCC)C1CC1 132178909 573651976 /nfs/dbraw/zinc/65/19/76/573651976.db2.gz QTYSKVKSVKTVAZ-GFCCVEGCSA-N 0 0 196.290 2.727 10 30 AFEERN N#Cc1cc2cc3c(cc2cn1)CCC3 259542435 573652013 /nfs/dbraw/zinc/65/20/13/573652013.db2.gz CSENIYTWEILAPM-UHFFFAOYSA-N 0 0 194.237 2.595 10 30 AFEERN C=C1C=C(C)CC(C)(C)[C@H]1[C@@H](C)O 238466414 573652050 /nfs/dbraw/zinc/65/20/50/573652050.db2.gz VNPCAWDUTLTLRQ-GHMZBOCLSA-N 0 0 180.291 2.916 10 30 AFEERN CC(C)CC(C)(C)CN[C@@H](C)C#N 258837185 573652069 /nfs/dbraw/zinc/65/20/69/573652069.db2.gz QOADQRJJKCTIQO-JTQLQIEISA-N 0 0 182.311 2.560 10 30 AFEERN Cc1cccc2c1C[C@@H]([C@H](C)C=O)C2 257842133 573652885 /nfs/dbraw/zinc/65/28/85/573652885.db2.gz MNFQWERJCWHRNL-PWSUYJOCSA-N 0 0 188.270 2.545 10 30 AFEERN Cc1cccc2c1C[C@H]([C@H](C)C=O)C2 257842134 573653065 /nfs/dbraw/zinc/65/30/65/573653065.db2.gz MNFQWERJCWHRNL-ZYHUDNBSSA-N 0 0 188.270 2.545 10 30 AFEERN Cc1cc(Cl)c(F)c(C#N)c1C 258080652 573653092 /nfs/dbraw/zinc/65/30/92/573653092.db2.gz NAVHOHROQBGEKU-UHFFFAOYSA-N 0 0 183.613 2.968 10 30 AFEERN C[C@H]1[C@H](C)C1(C=O)[Si](C)(C)C 238458725 573653126 /nfs/dbraw/zinc/65/31/26/573653126.db2.gz WPABWSPZVCGXQB-YUMQZZPRSA-N 0 0 170.328 2.550 10 30 AFEERN Cc1cc(C#N)c2sccc2c1C#N 307115974 573653136 /nfs/dbraw/zinc/65/31/36/573653136.db2.gz DYQUHZMQUJKKNY-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN CCO[C@@H](CC=O)CC1CCCCC1 257841493 573653140 /nfs/dbraw/zinc/65/31/40/573653140.db2.gz KEKYMQJYTKQUOS-LBPRGKRZSA-N 0 0 198.306 2.951 10 30 AFEERN C=CC(=O)[C@@H](C)CCCC 107805772 573653149 /nfs/dbraw/zinc/65/31/49/573653149.db2.gz UJRMHNJZOWZFDT-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN Cc1cc([C@@H](C)CC=O)cc(O)c1C 258080704 573653160 /nfs/dbraw/zinc/65/31/60/573653160.db2.gz NDVKULYGSQTBMI-QMMMGPOBSA-N 0 0 192.258 2.702 10 30 AFEERN CC(=O)C[C@H]1CCC[C@H](C)[C@@]1(C)C=O 238458833 573653349 /nfs/dbraw/zinc/65/33/49/573653349.db2.gz QVTHGOBUIBWEOK-MVWJERBFSA-N 0 0 196.290 2.607 10 30 AFEERN C[C@H]1Cc2ccc(CCC=O)cc2C1 258080733 573653351 /nfs/dbraw/zinc/65/33/51/573653351.db2.gz NEXSBQRJMYIPMX-JTQLQIEISA-N 0 0 188.270 2.553 10 30 AFEERN Cc1ccc(C[C@@H](C)C=O)c(F)c1 238458161 573654897 /nfs/dbraw/zinc/65/48/97/573654897.db2.gz PWOJNFOTYIWKOL-SECBINFHSA-N 0 0 180.222 2.512 10 30 AFEERN Cc1ccc([C@@](C)(F)C#N)cc1 259543343 573655008 /nfs/dbraw/zinc/65/50/08/573655008.db2.gz CAGVPSSGQZLTJY-JTQLQIEISA-N 0 0 163.195 2.703 10 30 AFEERN C=CC(=O)C[C@@H](C)CCC 107805775 573655009 /nfs/dbraw/zinc/65/50/09/573655009.db2.gz UPNPDNWZZRIVFO-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN C[C@H]1C/C=C/CC[C@@H](C=O)C1 238458359 573655014 /nfs/dbraw/zinc/65/50/14/573655014.db2.gz ULVVTXLXMXIUPG-MDCNRGEUSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@]1(C)C[C@@H](C)CC1=O 238458580 573655024 /nfs/dbraw/zinc/65/50/24/573655024.db2.gz RMFAEVFONOKGNA-WPRPVWTQSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1sc2ccc(N)cc2c1C#N 307119128 573655043 /nfs/dbraw/zinc/65/50/43/573655043.db2.gz YVIDZQPRUCYPCW-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C[C@H]1CC[C@H]2CCC(=O)C=C2C1 238458723 573655093 /nfs/dbraw/zinc/65/50/93/573655093.db2.gz FECHSQZMGDQJOD-IUCAKERBSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1CC[C@H]2C=CC(=O)[C@@]2(C)C1 238458592 573655112 /nfs/dbraw/zinc/65/51/12/573655112.db2.gz JWSJFLXAIUPQNL-QXEWZRGKSA-N 0 0 164.248 2.568 10 30 AFEERN CC1(C(O)=CC=O)CC2(CCC2)C1 224488775 573655446 /nfs/dbraw/zinc/65/54/46/573655446.db2.gz NLVCMFKNVXOJAH-ZZXKWVIFSA-N 0 0 180.247 2.598 10 30 AFEERN C[C@]12CC[C@@H]3CCC[C@@]31C=CC2=O 238472875 573657898 /nfs/dbraw/zinc/65/78/98/573657898.db2.gz SWEYELFNJINHQP-MVWJERBFSA-N 0 0 176.259 2.712 10 30 AFEERN CC1=C2C(=O)[C@@H](C)CC[C@H]2CC1 238458808 573657213 /nfs/dbraw/zinc/65/72/13/573657213.db2.gz WOCJPJMWQOAFIZ-DTWKUNHWSA-N 0 0 164.248 2.712 10 30 AFEERN N#CCn1ccc2cccc(Cl)c21 107838159 573657246 /nfs/dbraw/zinc/65/72/46/573657246.db2.gz UIUUSHIMGFUGLK-UHFFFAOYSA-N 0 0 190.633 2.818 10 30 AFEERN N#CCCn1ccc2cc(F)ccc21 107837695 573657284 /nfs/dbraw/zinc/65/72/84/573657284.db2.gz VTOIKKKUCMTQSF-UHFFFAOYSA-N 0 0 188.205 2.694 10 30 AFEERN Cc1cccc2ccn(CCC#N)c12 107838075 573657525 /nfs/dbraw/zinc/65/75/25/573657525.db2.gz RUJQRXULZKLXKL-UHFFFAOYSA-N 0 0 184.242 2.863 10 30 AFEERN CCc1ccc(F)c(CCC=O)c1F 258083268 573657652 /nfs/dbraw/zinc/65/76/52/573657652.db2.gz NHBUIAUWPMLGIQ-UHFFFAOYSA-N 0 0 198.212 2.659 10 30 AFEERN CCc1cc([C@H](C#N)C(C)C)c[nH]1 259544862 573657819 /nfs/dbraw/zinc/65/78/19/573657819.db2.gz BCWSNQJSESTMBS-LLVKDONJSA-N 0 0 176.263 2.840 10 30 AFEERN Cc1ccc(NCS)c(C)c1C 258851128 573657828 /nfs/dbraw/zinc/65/78/28/573657828.db2.gz DKAWISRERONRBR-UHFFFAOYSA-N 0 0 181.304 2.911 10 30 AFEERN C[C@@H](S)C(C)(C)c1cccc(O)c1 258080937 573657857 /nfs/dbraw/zinc/65/78/57/573657857.db2.gz MIDWJEDHJUHEIA-MRVPVSSYSA-N 0 0 196.315 2.988 10 30 AFEERN C[C@]1(CC=O)C[C@@H]1c1ccccc1 238471761 573658858 /nfs/dbraw/zinc/65/88/58/573658858.db2.gz PEIIRYNZVATDFI-NEPJUHHUSA-N 0 0 174.243 2.769 10 30 AFEERN Cc1cc(C)c2c(ccn2CC#N)c1 107838215 573658145 /nfs/dbraw/zinc/65/81/45/573658145.db2.gz UCNVHBKDYXKXEG-UHFFFAOYSA-N 0 0 184.242 2.782 10 30 AFEERN CC[C@H](C)N[C@]1(C#N)CCCC1(C)C 86866066 573658191 /nfs/dbraw/zinc/65/81/91/573658191.db2.gz VRILWAHNSXCLJV-JQWIXIFHSA-N 0 0 194.322 2.847 10 30 AFEERN CCc1cccc2[nH]c(C#N)cc12 259544099 573658203 /nfs/dbraw/zinc/65/82/03/573658203.db2.gz ZXGWNQJPWGXYDJ-UHFFFAOYSA-N 0 0 170.215 2.602 10 30 AFEERN C[C@@H]1C[C@@H]2C=CC(=O)[C@@]23CCC[C@@H]13 238472097 573658286 /nfs/dbraw/zinc/65/82/86/573658286.db2.gz AUFKZCLZKAMHHT-WDCWCFNPSA-N 0 0 176.259 2.568 10 30 AFEERN CC(C)=C1CC[C@H](C)C[C@@H]1C=O 238472596 573658366 /nfs/dbraw/zinc/65/83/66/573658366.db2.gz DOHZENVCBVCVDG-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)C(C)(C)CC[C@@H](C)C#N 238472508 573658498 /nfs/dbraw/zinc/65/84/98/573658498.db2.gz WVQNASJBPGTHSS-MRVPVSSYSA-N 0 0 167.252 2.541 10 30 AFEERN C=CC[C@H](O)[C@@H]1[C@@H](C)C=CC[C@@H]1C 238471983 573658580 /nfs/dbraw/zinc/65/85/80/573658580.db2.gz ICGTYFIZWSKIJG-FIQHERPVSA-N 0 0 180.291 2.772 10 30 AFEERN CCc1ccc(OC)c([C@H](C)C=O)c1 257843197 573658674 /nfs/dbraw/zinc/65/86/74/573658674.db2.gz MVICWMLNLUCGFP-SECBINFHSA-N 0 0 192.258 2.560 10 30 AFEERN C#C/C=C/[C@@H](C)[C@@H]1CCCC(=O)C1 224505175 573658746 /nfs/dbraw/zinc/65/87/46/573658746.db2.gz VMELUEZKQCNUAK-JYBZGJHDSA-N 0 0 176.259 2.571 10 30 AFEERN CC[C@@H](C)N[C@]1(C#N)CCCC1(C)C 86866065 573659529 /nfs/dbraw/zinc/65/95/29/573659529.db2.gz VRILWAHNSXCLJV-PWSUYJOCSA-N 0 0 194.322 2.847 10 30 AFEERN Cc1nc(C)c([C@H](C#N)C2CC2)s1 259544126 573659564 /nfs/dbraw/zinc/65/95/64/573659564.db2.gz CTOCYBNSWTVJMM-SECBINFHSA-N 0 0 192.287 2.777 10 30 AFEERN C[C@]12CCC[C@H]3C[C@H]3C1=CC(=O)C2 238472372 573659613 /nfs/dbraw/zinc/65/96/13/573659613.db2.gz RUUSWTQPRGWNCB-MKPLZMMCSA-N 0 0 176.259 2.712 10 30 AFEERN C[C@H]1CC=C[C@](C)(CC=O)C1 238472340 573659643 /nfs/dbraw/zinc/65/96/43/573659643.db2.gz PFYIQULYHQALTG-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cccc(-c2oc(C#N)nc2C)c1 259544113 573658984 /nfs/dbraw/zinc/65/89/84/573658984.db2.gz CTELMFYYSVZMNZ-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN COc1ccc([C@H]2O[C@@H]2C)cc1Cl 258856665 573663524 /nfs/dbraw/zinc/66/35/24/573663524.db2.gz QYEGFTFVOYBBNH-LDWIPMOCSA-N 0 0 198.649 2.808 10 30 AFEERN CCc1cc([C@@H](C#N)C(C)C)c[nH]1 259544874 573662788 /nfs/dbraw/zinc/66/27/88/573662788.db2.gz BCWSNQJSESTMBS-NSHDSACASA-N 0 0 176.263 2.840 10 30 AFEERN CCc1nc(C(C)C)c(C)cc1C#N 259544375 573662807 /nfs/dbraw/zinc/66/28/07/573662807.db2.gz CJYWERNPBRLUDU-UHFFFAOYSA-N 0 0 188.274 2.948 10 30 AFEERN C[C@]1(CCC#N)CCCC[C@@H]1C=O 238472159 573662873 /nfs/dbraw/zinc/66/28/73/573662873.db2.gz RMMNIIKKPGOGNB-GHMZBOCLSA-N 0 0 179.263 2.686 10 30 AFEERN Cn1c2ccccc2c2cc(C#N)[nH]c21 259544282 573662950 /nfs/dbraw/zinc/66/29/50/573662950.db2.gz CVXRSYIHRKAXDP-UHFFFAOYSA-N 0 0 195.225 2.531 10 30 AFEERN C[C@]1(CCC#N)CCCC[C@H]1C=O 238472196 573663007 /nfs/dbraw/zinc/66/30/07/573663007.db2.gz RMMNIIKKPGOGNB-WDEREUQCSA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)Nc1[nH]c2ccccc2c1C#N 258856603 573663490 /nfs/dbraw/zinc/66/34/90/573663490.db2.gz YBEPZPSMSGLPGE-UHFFFAOYSA-N 0 0 199.257 2.860 10 30 AFEERN C=C1CC[C@H](C)C(C)(C)[C@@H]1CCO 238472968 573663496 /nfs/dbraw/zinc/66/34/96/573663496.db2.gz CVFNDRRUYOTWAC-WDEREUQCSA-N 0 0 182.307 2.997 10 30 AFEERN C=C(C)CC(=O)NCCCCCC 308416268 573665137 /nfs/dbraw/zinc/66/51/37/573665137.db2.gz NFQHGILJGKZYJS-UHFFFAOYSA-N 0 0 183.295 2.649 10 30 AFEERN N#CC1(c2coc3ncccc23)CCC1 214933686 573665283 /nfs/dbraw/zinc/66/52/83/573665283.db2.gz OKPXSNRJHSVFFG-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN N#CC1(c2coc3cccnc23)CCC1 214933473 573665316 /nfs/dbraw/zinc/66/53/16/573665316.db2.gz MXSDFLPDJMFQHR-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN CCC[C@H](C#N)[C@]1(O)CCCC1(C)C 86870115 573665411 /nfs/dbraw/zinc/66/54/11/573665411.db2.gz SWFVVBFBCRYWEC-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN C=C(CSc1ccc(C)cn1)OC 308416262 573665420 /nfs/dbraw/zinc/66/54/20/573665420.db2.gz NFOAVYSFNUPBHQ-UHFFFAOYSA-N 0 0 195.287 2.642 10 30 AFEERN N#CC1(c2cc3cnccc3o2)CCC1 214933748 573665465 /nfs/dbraw/zinc/66/54/65/573665465.db2.gz JDSKBICDRCHZOM-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN CC1(C)CCC[C@@]1(Cl)C#N 86868292 573665522 /nfs/dbraw/zinc/66/55/22/573665522.db2.gz MBQNKHCHIBMVJO-MRVPVSSYSA-N 0 0 157.644 2.698 10 30 AFEERN CCOc1ccc([C@H]2OC2(C)C)cc1 259154319 573665580 /nfs/dbraw/zinc/66/55/80/573665580.db2.gz FYWRGWFLJZOJEZ-LLVKDONJSA-N 0 0 192.258 2.935 10 30 AFEERN N#CC1(c2cc3ncccc3o2)CCC1 214933968 573665610 /nfs/dbraw/zinc/66/56/10/573665610.db2.gz GNRIQTPTKOFNOP-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN C[C@@H](C=O)[C@@H]1CCc2cccc(F)c21 257844436 573665711 /nfs/dbraw/zinc/66/57/11/573665711.db2.gz NEUDWZQUGOZUPZ-WPRPVWTQSA-N 0 0 192.233 2.691 10 30 AFEERN CCOc1ccc([C@@H]2OC2(C)C)cc1 259154320 573665762 /nfs/dbraw/zinc/66/57/62/573665762.db2.gz FYWRGWFLJZOJEZ-NSHDSACASA-N 0 0 192.258 2.935 10 30 AFEERN Cc1coc(-c2ccc(CC#N)cc2)n1 214933272 573667040 /nfs/dbraw/zinc/66/70/40/573667040.db2.gz FGLPXXNTNDAKNV-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN C[C@H](C=O)[C@H]1CCc2cccc(F)c21 257844433 573667529 /nfs/dbraw/zinc/66/75/29/573667529.db2.gz NEUDWZQUGOZUPZ-PSASIEDQSA-N 0 0 192.233 2.691 10 30 AFEERN C=C[C@@]1(C)CC(=O)CC[C@@H]1C 238474647 573667541 /nfs/dbraw/zinc/66/75/41/573667541.db2.gz KGKZMWOYTRDJPH-WPRPVWTQSA-N 0 0 152.237 2.568 10 30 AFEERN CC1(C)CCC[C@@]1(O)C1(C#N)CCC1 86870134 573667554 /nfs/dbraw/zinc/66/75/54/573667554.db2.gz PUWJVOYSRRVDBO-LBPRGKRZSA-N 0 0 193.290 2.621 10 30 AFEERN CCN(CC)[C@@]1(C#N)CCCC1(C)C 86867642 573667623 /nfs/dbraw/zinc/66/76/23/573667623.db2.gz RWZUWULZICQOFM-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@@H](C#N)[C@]1(O)CCCC1(C)C 86870113 573667636 /nfs/dbraw/zinc/66/76/36/573667636.db2.gz SWFVVBFBCRYWEC-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)(C#N)CNc1cccc(F)c1 258620871 573667702 /nfs/dbraw/zinc/66/77/02/573667702.db2.gz JMWZAAYSDHLOLB-UHFFFAOYSA-N 0 0 192.237 2.787 10 30 AFEERN CC[C@@H](CC#N)C(=O)c1ccccc1 43368369 573667075 /nfs/dbraw/zinc/66/70/75/573667075.db2.gz BSLLWOYXZGZRPU-JTQLQIEISA-N 0 0 187.242 2.809 10 30 AFEERN C[C@H](C=O)[C@@H]1CCc2cccc(F)c21 257844434 573667082 /nfs/dbraw/zinc/66/70/82/573667082.db2.gz NEUDWZQUGOZUPZ-SCZZXKLOSA-N 0 0 192.233 2.691 10 30 AFEERN C[C@@H]1O[C@@H]1c1ccc2c(c1)CCC2 259154476 573667136 /nfs/dbraw/zinc/66/71/36/573667136.db2.gz GBTVZUKHOMSPPS-UFBFGSQYSA-N 0 0 174.243 2.635 10 30 AFEERN CC1(C)CCC[C@@]1(C#N)N1CCCC1 86867660 573667210 /nfs/dbraw/zinc/66/72/10/573667210.db2.gz PEHHLMFKJQEPCR-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@](C)(C#N)[C@@]1(O)CCCC1(C)C 86870092 573667348 /nfs/dbraw/zinc/66/73/48/573667348.db2.gz PYIYRGSZMVBIHF-VXGBXAGGSA-N 0 0 195.306 2.867 10 30 AFEERN CC1(C)CCC[C@]1(Cl)C#N 86868290 573667359 /nfs/dbraw/zinc/66/73/59/573667359.db2.gz MBQNKHCHIBMVJO-QMMMGPOBSA-N 0 0 157.644 2.698 10 30 AFEERN CCC[C@]1(C#N)CCC(C)(C)C1=O 86870395 573667510 /nfs/dbraw/zinc/66/75/10/573667510.db2.gz OQFWPVHFEYWVIY-LLVKDONJSA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)C[C@]1(C#N)CCC(C)(C)C1=O 86870439 573667829 /nfs/dbraw/zinc/66/78/29/573667829.db2.gz JNNKXCHDFIVILS-LBPRGKRZSA-N 0 0 193.290 2.932 10 30 AFEERN Cc1ccc(N(C)CCS)cc1C 258864958 573668014 /nfs/dbraw/zinc/66/80/14/573668014.db2.gz KLEZXXSJYSCZCX-UHFFFAOYSA-N 0 0 195.331 2.669 10 30 AFEERN CC(C)(C#N)c1ccsc1F 259545153 573668169 /nfs/dbraw/zinc/66/81/69/573668169.db2.gz BFCARNBTCSORPX-UHFFFAOYSA-N 0 0 169.224 2.688 10 30 AFEERN COc1ccc([C@@H]2O[C@@H]2C)cc1Cl 258856667 573668188 /nfs/dbraw/zinc/66/81/88/573668188.db2.gz QYEGFTFVOYBBNH-LHLIQPBNSA-N 0 0 198.649 2.808 10 30 AFEERN C=C1CCC[P@]1(=O)c1ccccc1 144576614 573668238 /nfs/dbraw/zinc/66/82/38/573668238.db2.gz QSECOMXVDWNTRU-CYBMUJFWSA-N 0 0 192.198 2.983 10 30 AFEERN C[C@@H]1O[C@H]1c1cc(Cl)ccc1F 259154359 573668264 /nfs/dbraw/zinc/66/82/64/573668264.db2.gz FZUPAALVBCKDBK-SSDLBLMSSA-N 0 0 186.613 2.939 10 30 AFEERN CC(C)(C#N)CNc1ccccc1F 258667288 573668314 /nfs/dbraw/zinc/66/83/14/573668314.db2.gz OEWPWYUKRAAYBW-UHFFFAOYSA-N 0 0 192.237 2.787 10 30 AFEERN C=CC[C@@H](C)C(=O)Nc1ccccc1 238467547 573675523 /nfs/dbraw/zinc/67/55/23/573675523.db2.gz XPULXHLREOCNKF-SNVBAGLBSA-N 0 0 189.258 2.837 10 30 AFEERN CC1=C(C)[C@@]2(C)[C@@H](C)[C@@]2(C)C1=O 238467734 573675558 /nfs/dbraw/zinc/67/55/58/573675558.db2.gz JLKJNDUQYOONJF-MIMYLULJSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@H](C#N)Nc1coc2ccccc12 258870659 573675584 /nfs/dbraw/zinc/67/55/84/573675584.db2.gz UOUWPUQNZKCTAP-QMMMGPOBSA-N 0 0 186.214 2.757 10 30 AFEERN C=C(CC=O)Cc1cccc(C)c1 258076230 573675610 /nfs/dbraw/zinc/67/56/10/573675610.db2.gz FPCYSRFDURPLBK-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN CC(C)C[C@@H](C#N)C(=O)c1ccoc1 43375117 573675617 /nfs/dbraw/zinc/67/56/17/573675617.db2.gz MKRMMHCHUDJZIK-JTQLQIEISA-N 0 0 191.230 2.648 10 30 AFEERN C=CC[C@@H]1CCCC(=O)[C@H]1C 150197874 573675649 /nfs/dbraw/zinc/67/56/49/573675649.db2.gz SKYMZUNOSFRPGL-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)C[C@H](C#N)C(=O)C1CCC1 43374835 573675781 /nfs/dbraw/zinc/67/57/81/573675781.db2.gz QDOLSSOOZUKDKO-SNVBAGLBSA-N 0 0 179.263 2.541 10 30 AFEERN Cc1ncc(CC#N)c(C)c1C(F)F 238467943 573675802 /nfs/dbraw/zinc/67/58/02/573675802.db2.gz SPYAIIQCQCRKOC-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN C[C@@H](C#C[C@@H]1C=CCCC1)CC=O 238468589 573675858 /nfs/dbraw/zinc/67/58/58/573675858.db2.gz INHLBRDHNXNRKY-NWDGAFQWSA-N 0 0 176.259 2.571 10 30 AFEERN CCc1ccc(N(C)CS)cc1 258877708 573678890 /nfs/dbraw/zinc/67/88/90/573678890.db2.gz HPBIOQVSMGSYCL-UHFFFAOYSA-N 0 0 181.304 2.573 10 30 AFEERN C=C[C@H](CC)OC(=O)C[C@H]1C[C@@H]1C 308414836 573678903 /nfs/dbraw/zinc/67/89/03/573678903.db2.gz MYIQEFFNRXKQIJ-IVZWLZJFSA-N 0 0 182.263 2.540 10 30 AFEERN C=CCNC(=O)CC(C)(C)CCC 393548143 573678913 /nfs/dbraw/zinc/67/89/13/573678913.db2.gz LAYNPYRRQSJCRO-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=C(C)C[C@@H]([NH2+]C)c1coc(C)c1 130805967 573679036 /nfs/dbraw/zinc/67/90/36/573679036.db2.gz TWPAHYLFQQXJII-LLVKDONJSA-N 0 0 179.263 2.815 10 30 AFEERN C[C@H](CC=O)[C@H]1C=CCCC1 238469720 573679110 /nfs/dbraw/zinc/67/91/10/573679110.db2.gz ZFAQZUCDRJRTHU-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@@H]1C=C[C@H](C)[C@@H]([C@@H](C)O)C1 238469607 573679122 /nfs/dbraw/zinc/67/91/22/573679122.db2.gz NJCHRNHIVWIQTJ-QCNOEVLYSA-N 0 0 180.291 2.772 10 30 AFEERN Cc1cc(F)ccc1[C@H](C)CC=O 258090293 573679215 /nfs/dbraw/zinc/67/92/15/573679215.db2.gz WQUHOKGDNKWBEP-MRVPVSSYSA-N 0 0 180.222 2.827 10 30 AFEERN C[C@H](CC=O)CC1=CCCC1 238468950 573681430 /nfs/dbraw/zinc/68/14/30/573681430.db2.gz JDRHDZIRMPLWBK-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN COC(C)(C)Cc1ccccc1C#N 259551561 573681527 /nfs/dbraw/zinc/68/15/27/573681527.db2.gz UHFGQFIDESWPNC-UHFFFAOYSA-N 0 0 189.258 2.526 10 30 AFEERN Cc1ccc(N[C@H](C)CC=O)c(C)c1 238469260 573681624 /nfs/dbraw/zinc/68/16/24/573681624.db2.gz WAYZYPRIMOSBOO-LLVKDONJSA-N 0 0 191.274 2.693 10 30 AFEERN N#CCNc1ccc2c(c1)CCCC2 258698579 573681692 /nfs/dbraw/zinc/68/16/92/573681692.db2.gz DNVUDDJDPRTYGV-UHFFFAOYSA-N 0 0 186.258 2.501 10 30 AFEERN Fc1cc(CS)ccc1Cl 86895252 573681718 /nfs/dbraw/zinc/68/17/18/573681718.db2.gz ALLSRRLHVQYAPS-UHFFFAOYSA-N 0 0 176.643 2.909 10 30 AFEERN CC1=CC(=O)CC[C@H]2C1=CC[C@@H]2C 238469135 573681782 /nfs/dbraw/zinc/68/17/82/573681782.db2.gz VNLROYAWWVCSRF-GZMMTYOYSA-N 0 0 176.259 2.878 10 30 AFEERN N#CC1(c2cc3ccc(O)cc3o2)CC1 259551881 573681792 /nfs/dbraw/zinc/68/17/92/573681792.db2.gz HKLYYHLFKNGMDF-UHFFFAOYSA-N 0 0 199.209 2.694 10 30 AFEERN C[C@H]1CC=C2C(=O)[C@H](C)CC[C@@H]21 238469152 573681827 /nfs/dbraw/zinc/68/18/27/573681827.db2.gz JMYHZROYUOXUJL-DJLDLDEBSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(F)ccc1[C@@H](C)CC=O 258090295 573682005 /nfs/dbraw/zinc/68/20/05/573682005.db2.gz WQUHOKGDNKWBEP-QMMMGPOBSA-N 0 0 180.222 2.827 10 30 AFEERN C#C[C@H](O)/C(C)=C\C[C@@H]1C=CCCC1 238468908 573681342 /nfs/dbraw/zinc/68/13/42/573681342.db2.gz SGFXMVKLVSBQKU-IHOFHSRRSA-N 0 0 190.286 2.673 10 30 AFEERN C=CC(C)(C)[C@@H](O)/C(C)=C\C 237981768 573685370 /nfs/dbraw/zinc/68/53/70/573685370.db2.gz GORBIABNLUOTGU-XZLDQRQTSA-N 0 0 154.253 2.526 10 30 AFEERN C[C@H](C=O)Cc1ccccc1Cl 78946257 573685499 /nfs/dbraw/zinc/68/54/99/573685499.db2.gz UOYADOCZGODLBC-QMMMGPOBSA-N 0 0 182.650 2.718 10 30 AFEERN Cc1cc(CC#N)nc(C)c1C(F)F 238470872 573685507 /nfs/dbraw/zinc/68/55/07/573685507.db2.gz JGPFHDNTQUIIMO-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CC(=O)C1=C(C)C[C@@H](C)CC1 238478095 573685518 /nfs/dbraw/zinc/68/55/18/573685518.db2.gz BBLOGQZINRBJOU-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cccc([C@H]2OC2(C)C)c1 259158016 573685565 /nfs/dbraw/zinc/68/55/65/573685565.db2.gz GDJZXQLSHWGONN-SNVBAGLBSA-N 0 0 162.232 2.845 10 30 AFEERN C[C@H](CC=O)[C@H]1CC(=O)CC(C)(C)C1 238470054 573685697 /nfs/dbraw/zinc/68/56/97/573685697.db2.gz CWRBMWIBTCSEGS-ZJUUUORDSA-N 0 0 196.290 2.607 10 30 AFEERN C=CC[C@@]1(C)CCCC(=O)C1=C 238470550 573685707 /nfs/dbraw/zinc/68/57/07/573685707.db2.gz OSSQYEHPMFFCJZ-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C=CC[C@@]1(C)CCCC=CC1=O 238470661 573685715 /nfs/dbraw/zinc/68/57/15/573685715.db2.gz ZRWDQHTWMUSRNA-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN COc1cc(C)c(C#N)c(C)c1Cl 258093494 573685846 /nfs/dbraw/zinc/68/58/46/573685846.db2.gz ODDRGWXLEAHFSC-UHFFFAOYSA-N 0 0 195.649 2.837 10 30 AFEERN C[C@H](C=O)Cc1cccc(Cl)c1 78946244 573685927 /nfs/dbraw/zinc/68/59/27/573685927.db2.gz JMJNBPKLNYYPOL-QMMMGPOBSA-N 0 0 182.650 2.718 10 30 AFEERN Cc1cc(CC#N)nc(C)c1C1CC1 238470890 573686032 /nfs/dbraw/zinc/68/60/32/573686032.db2.gz GMCWMXUASGAJPA-UHFFFAOYSA-N 0 0 186.258 2.642 10 30 AFEERN C[C@@H](C#N)N(C)c1c[nH]c2ccccc12 258879996 573687462 /nfs/dbraw/zinc/68/74/62/573687462.db2.gz VLQUIAZMNCPLHN-VIFPVBQESA-N 0 0 199.257 2.516 10 30 AFEERN C[C@H](C#N)N(C)c1c[nH]c2ccccc12 258879994 573687670 /nfs/dbraw/zinc/68/76/70/573687670.db2.gz VLQUIAZMNCPLHN-SECBINFHSA-N 0 0 199.257 2.516 10 30 AFEERN C=C[C@H](O)C/C=C\c1ccccc1 214950666 573687764 /nfs/dbraw/zinc/68/77/64/573687764.db2.gz HLUQQOCNAVPDKU-PWWFUAJNSA-N 0 0 174.243 2.637 10 30 AFEERN Cc1ccccc1-c1cc(C#N)no1 259161646 573690523 /nfs/dbraw/zinc/69/05/23/573690523.db2.gz GJQCONBUZRQMJP-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN COc1c(C)cc(C#N)cc1C(C)C 258085596 573690692 /nfs/dbraw/zinc/69/06/92/573690692.db2.gz NNSBNSYQILKPIH-UHFFFAOYSA-N 0 0 189.258 2.999 10 30 AFEERN C=C[C@@H](C)c1noc(/C(C)=C\C)n1 306306021 573690803 /nfs/dbraw/zinc/69/08/03/573690803.db2.gz FCICNBANHZFRQT-QHRPWQPMSA-N 0 0 178.235 2.782 10 30 AFEERN C=CC(C)(C)[C@H](O)/C(C)=C\C 237978727 573690877 /nfs/dbraw/zinc/69/08/77/573690877.db2.gz GORBIABNLUOTGU-JGAIRUGNSA-N 0 0 154.253 2.526 10 30 AFEERN Cc1ccsc1C(=O)C1(C#N)CC1 259170794 573692378 /nfs/dbraw/zinc/69/23/78/573692378.db2.gz MLSBAWMLWXYWDU-UHFFFAOYSA-N 0 0 191.255 2.543 10 30 AFEERN Cc1ccc(Cl)c(CCC=O)c1 238479710 573692427 /nfs/dbraw/zinc/69/24/27/573692427.db2.gz UYKLNMDMXUURDB-UHFFFAOYSA-N 0 0 182.650 2.780 10 30 AFEERN C[C@H](C(=O)[C@H](C)CC#N)C(C)(C)C 393549398 573692017 /nfs/dbraw/zinc/69/20/17/573692017.db2.gz UBQGYJJFVCBLER-RKDXNWHRSA-N 0 0 181.279 2.787 10 30 AFEERN C[C@@H](CC#N)C(=O)[C@H](C)C(C)(C)C 393549396 573692060 /nfs/dbraw/zinc/69/20/60/573692060.db2.gz UBQGYJJFVCBLER-IUCAKERBSA-N 0 0 181.279 2.787 10 30 AFEERN CC[C@@H]1CCC(=NOCC2CC2)C1 308419507 573692112 /nfs/dbraw/zinc/69/21/12/573692112.db2.gz SERMPNAIBSDBRQ-SECBINFHSA-N 0 0 181.279 2.979 10 30 AFEERN C[C@H](CC#N)C(=O)[C@H](C)C(C)(C)C 393549376 573692151 /nfs/dbraw/zinc/69/21/51/573692151.db2.gz UBQGYJJFVCBLER-BDAKNGLRSA-N 0 0 181.279 2.787 10 30 AFEERN CC(O)=C1C[C@@H](C)CCC1=S 238479706 573692159 /nfs/dbraw/zinc/69/21/59/573692159.db2.gz SVTIPTLTDVQRIU-LURJTMIESA-N 0 0 170.277 2.579 10 30 AFEERN C[C@]1(c2ccccc2Cl)C[C@@H]1C=O 257851194 573692287 /nfs/dbraw/zinc/69/22/87/573692287.db2.gz OXUGRAFUAPCSAH-KCJUWKMLSA-N 0 0 194.661 2.817 10 30 AFEERN C[C@@H](C#N)Nc1cn(C)c2ccccc12 258882046 573692986 /nfs/dbraw/zinc/69/29/86/573692986.db2.gz VRDVFRJAFJJKDH-VIFPVBQESA-N 0 0 199.257 2.502 10 30 AFEERN C=C(/C=C/C)[C@@H](O)c1ccccc1 237991840 573693647 /nfs/dbraw/zinc/69/36/47/573693647.db2.gz DXBCGBJNELOHIE-QDBLGGKGSA-N 0 0 174.243 2.852 10 30 AFEERN CC(=O)[C@@]1(CC=O)C(C)=CCC[C@@H]1C 238481923 573693707 /nfs/dbraw/zinc/69/37/07/573693707.db2.gz QUNKDFZDTRIWGM-JQWIXIFHSA-N 0 0 194.274 2.527 10 30 AFEERN O=CC1CCC(c2ccccn2)CC1 259162271 573693122 /nfs/dbraw/zinc/69/31/22/573693122.db2.gz HLLUKZVSHCRSIE-UHFFFAOYSA-N 0 0 189.258 2.554 10 30 AFEERN CC[C@H](C#N)c1onc2ccccc12 259557136 573693164 /nfs/dbraw/zinc/69/31/64/573693164.db2.gz AAKSERVRNYSACT-MRVPVSSYSA-N 0 0 186.214 2.845 10 30 AFEERN Cc1csc(C[C@@H](C#N)C(C)C)n1 259170944 573693207 /nfs/dbraw/zinc/69/32/07/573693207.db2.gz GIOSXECYRVSIML-VIFPVBQESA-N 0 0 194.303 2.790 10 30 AFEERN C=CC#CC[C@H](O)c1ccc(C)cc1 238480878 573693281 /nfs/dbraw/zinc/69/32/81/573693281.db2.gz ZXYAMIBQURFTOZ-ZDUSSCGKSA-N 0 0 186.254 2.608 10 30 AFEERN CC[C@@H](C#N)c1onc2ccccc12 259557139 573693306 /nfs/dbraw/zinc/69/33/06/573693306.db2.gz AAKSERVRNYSACT-QMMMGPOBSA-N 0 0 186.214 2.845 10 30 AFEERN CC[C@H]1CCC(=NOCC2CC2)C1 308419508 573693393 /nfs/dbraw/zinc/69/33/93/573693393.db2.gz SERMPNAIBSDBRQ-VIFPVBQESA-N 0 0 181.279 2.979 10 30 AFEERN C[C@H]1CCC2=C(C1)[C@H](C)CC2=O 238481006 573693422 /nfs/dbraw/zinc/69/34/22/573693422.db2.gz UAOAMBDPJPMYDO-JGVFFNPUSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=CCC[C@H](C)[C@@]12C=CC(=O)C2 238481702 573693499 /nfs/dbraw/zinc/69/34/99/573693499.db2.gz GJUUCRAFOIFWFU-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C/N=C(\SC)c1ccc(F)cc1 258882030 573693565 /nfs/dbraw/zinc/69/35/65/573693565.db2.gz XWUOVSOUIINMRS-LUAWRHEFSA-N 0 0 183.251 2.565 10 30 AFEERN C[C@]1(c2ccccc2Cl)C[C@H]1C=O 257851197 573695087 /nfs/dbraw/zinc/69/50/87/573695087.db2.gz OXUGRAFUAPCSAH-KWQFWETISA-N 0 0 194.661 2.817 10 30 AFEERN CC(=O)[C@]1(CC=O)C(C)=CCC[C@@H]1C 238481667 573695089 /nfs/dbraw/zinc/69/50/89/573695089.db2.gz QUNKDFZDTRIWGM-CMPLNLGQSA-N 0 0 194.274 2.527 10 30 AFEERN C#C[C@@H](O)c1ccccc1C(C)(C)C 122092890 573695094 /nfs/dbraw/zinc/69/50/94/573695094.db2.gz OBZALVLBNCNPNI-GFCCVEGCSA-N 0 0 188.270 2.651 10 30 AFEERN CCCCCN=NC(C)C(F)(F)F 308419632 573694442 /nfs/dbraw/zinc/69/44/42/573694442.db2.gz OGUMIQPYERCBJH-UHFFFAOYSA-N 0 0 196.216 2.704 10 30 AFEERN C[C@H]1C[C@H]2C(=CC1=O)CC[C@@H]2C 238481188 573694502 /nfs/dbraw/zinc/69/45/02/573694502.db2.gz BZRFLSLTAWHCGO-OYNCUSHFSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@H](CC=O)c1ccc2ocnc2c1 258085645 573694533 /nfs/dbraw/zinc/69/45/33/573694533.db2.gz NPHIPTYRPSEIFX-MRVPVSSYSA-N 0 0 189.214 2.520 10 30 AFEERN O=CC[C@H]1CCOC2(CCCCC2)C1 86914112 573694537 /nfs/dbraw/zinc/69/45/37/573694537.db2.gz KZFAJJFTLHZPDZ-NSHDSACASA-N 0 0 196.290 2.705 10 30 AFEERN C[C@H]1CCC2=C(C1)C(=O)C[C@H]2C 238480761 573694543 /nfs/dbraw/zinc/69/45/43/573694543.db2.gz WUMGJDIHDFUJTH-JGVFFNPUSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H](C=O)C[C@@H]1CCOC2(CCC2)C1 86915227 573694723 /nfs/dbraw/zinc/69/47/23/573694723.db2.gz XCXNSMXMMFIKEQ-MNOVXSKESA-N 0 0 196.290 2.561 10 30 AFEERN Cc1cc(C)c(N(C)CC#N)cc1C 258883985 573694724 /nfs/dbraw/zinc/69/47/24/573694724.db2.gz VXEYKCASKXIPQU-UHFFFAOYSA-N 0 0 188.274 2.572 10 30 AFEERN N#CC1(c2cc3c(o2)CCC3)CCC1 259557505 573694819 /nfs/dbraw/zinc/69/48/19/573694819.db2.gz ACOLATZUBVYRGT-UHFFFAOYSA-N 0 0 187.242 2.714 10 30 AFEERN CCCc1c[nH]c([C@@H](C#N)C(C)C)n1 259164183 573694870 /nfs/dbraw/zinc/69/48/70/573694870.db2.gz UOAZYXDHVUNGBX-JTQLQIEISA-N 0 0 191.278 2.625 10 30 AFEERN Cc1[nH]c2c(F)ccc(F)c2c1C#N 238480815 573694906 /nfs/dbraw/zinc/69/49/06/573694906.db2.gz SUIXRIKQYQROOB-UHFFFAOYSA-N 0 0 192.168 2.626 10 30 AFEERN CCCc1c[nH]c([C@H](C#N)C(C)C)n1 259164185 573694911 /nfs/dbraw/zinc/69/49/11/573694911.db2.gz UOAZYXDHVUNGBX-SNVBAGLBSA-N 0 0 191.278 2.625 10 30 AFEERN CC1=C(c2ccco2)C(=O)[C@@H](C)C1 238481977 573694951 /nfs/dbraw/zinc/69/49/51/573694951.db2.gz SXGPZTLIMXVQNX-QMMMGPOBSA-N 0 0 176.215 2.662 10 30 AFEERN Cc1nc2cc(C#N)cc(C)c2s1 238481464 573695005 /nfs/dbraw/zinc/69/50/05/573695005.db2.gz WGQLSGIINQMNEK-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN Cc1nc2c(C)cc(C#N)cc2s1 238481690 573696759 /nfs/dbraw/zinc/69/67/59/573696759.db2.gz IEPPMCFKUKGSBO-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN C=C(c1ccccc1)[C@@H](C)[C@H](C)O 238481068 573696830 /nfs/dbraw/zinc/69/68/30/573696830.db2.gz BUAHCRMNCBSQBX-KOLCDFICSA-N 0 0 176.259 2.717 10 30 AFEERN C[C@H]1CCC2=C(C1)[C@@H](C)CC2=O 238480989 573696113 /nfs/dbraw/zinc/69/61/13/573696113.db2.gz UAOAMBDPJPMYDO-YUMQZZPRSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1CCC2=CC(=O)[C@H](C)C[C@@H]21 238481222 573696147 /nfs/dbraw/zinc/69/61/47/573696147.db2.gz BZRFLSLTAWHCGO-QXFUBDJGSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=CCC[C@H](C)[C@@]12CC=CC2=O 238481984 573696173 /nfs/dbraw/zinc/69/61/73/573696173.db2.gz XLGLZAKRALOUKF-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@H]1CCC2=C1CCCCC2=O 238481109 573696302 /nfs/dbraw/zinc/69/63/02/573696302.db2.gz LSEXEXZFPSTVAN-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C[C@@H](CC=O)c1ccc2ocnc2c1 258085647 573696371 /nfs/dbraw/zinc/69/63/71/573696371.db2.gz NPHIPTYRPSEIFX-QMMMGPOBSA-N 0 0 189.214 2.520 10 30 AFEERN C=C(c1ccc(Cl)cc1)[C@H](C)O 238480877 573696495 /nfs/dbraw/zinc/69/64/95/573696495.db2.gz BZQIPDROKDXPIU-QMMMGPOBSA-N 0 0 182.650 2.734 10 30 AFEERN C[C@H]1CCCC(=O)C2=C1CCC2 238483508 573703054 /nfs/dbraw/zinc/70/30/54/573703054.db2.gz MZRFADUNAYXZQF-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C=CC(=O)[C@H]1CC[C@H](CC)C1 83944584 573703083 /nfs/dbraw/zinc/70/30/83/573703083.db2.gz GOZGFKJTOOSTBH-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C#CCCCc1nc2ccccc2[nH]1 238000028 573702354 /nfs/dbraw/zinc/70/23/54/573702354.db2.gz JHYWCSRHFVVNAG-UHFFFAOYSA-N 0 0 184.242 2.519 10 30 AFEERN C=CC(=O)[C@@H]1CC[C@@H](CC)C1 83944587 573702365 /nfs/dbraw/zinc/70/23/65/573702365.db2.gz GOZGFKJTOOSTBH-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN CCc1nc(-c2ccc[nH]2)ccc1C#N 259558335 573702444 /nfs/dbraw/zinc/70/24/44/573702444.db2.gz DXSSUUHOSPHVNN-UHFFFAOYSA-N 0 0 197.241 2.511 10 30 AFEERN C=CC(=O)[C@H]1CCC[C@@H](C)C1 83943978 573702505 /nfs/dbraw/zinc/70/25/05/573702505.db2.gz HTANNSSGMCGGJA-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)C1CCC(C)(C)CC1 83944501 573702563 /nfs/dbraw/zinc/70/25/63/573702563.db2.gz DABWSYNJNIMUBB-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=O)c1ccc2ncccc2c1 83944206 573702569 /nfs/dbraw/zinc/70/25/69/573702569.db2.gz IINVLRCHCZBQJG-UHFFFAOYSA-N 0 0 183.210 2.604 10 30 AFEERN C=CC(=O)c1nccc2ccccc12 83944242 573702577 /nfs/dbraw/zinc/70/25/77/573702577.db2.gz CCTCUAFXFQVGDI-UHFFFAOYSA-N 0 0 183.210 2.604 10 30 AFEERN C=CC(=O)Cc1c(F)cccc1Cl 83944127 573702581 /nfs/dbraw/zinc/70/25/81/573702581.db2.gz OHIHBWKHJASCFV-UHFFFAOYSA-N 0 0 198.624 2.777 10 30 AFEERN C=CC(=O)C1CCC(CC)CC1 83944499 573702605 /nfs/dbraw/zinc/70/26/05/573702605.db2.gz FAEOEPIPDCAEER-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@H](C)Nc1cccnc1 126857630 573702612 /nfs/dbraw/zinc/70/26/12/573702612.db2.gz PNQKSXQQPGOHGP-JTQLQIEISA-N 0 0 176.263 2.848 10 30 AFEERN C#CC1(c2cccnc2)CCCC1 237999335 573702621 /nfs/dbraw/zinc/70/26/21/573702621.db2.gz FXZXRUVXELQLDD-UHFFFAOYSA-N 0 0 171.243 2.527 10 30 AFEERN C=CC(=O)[C@@H]1CCC[C@@H](CC)C1 83944528 573702703 /nfs/dbraw/zinc/70/27/03/573702703.db2.gz GUMNBWJCLWHMES-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@]1(C)C(=O)CCC[C@@H]1C 238484010 573702771 /nfs/dbraw/zinc/70/27/71/573702771.db2.gz KNAFUWRHZANCMR-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(C)c(O)c(C2(C#N)CC2)c1 238484061 573702912 /nfs/dbraw/zinc/70/29/12/573702912.db2.gz XRFOFKWACMPBOT-UHFFFAOYSA-N 0 0 187.242 2.564 10 30 AFEERN C=CC[C@@H]1CC(=O)CCC[C@@H]1C 238483655 573702929 /nfs/dbraw/zinc/70/29/29/573702929.db2.gz QOUOLIIPZIUMEY-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=O)C1CCC(C)CC1 83944006 573702932 /nfs/dbraw/zinc/70/29/32/573702932.db2.gz GBYUVHNYNSPHDT-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1c(C#N)ccc2scc(N)c12 306687106 573702965 /nfs/dbraw/zinc/70/29/65/573702965.db2.gz KZTCIWYKNWOSMI-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C[C@H]1CCCC(=O)C2=CCC[C@H]21 238483525 573702988 /nfs/dbraw/zinc/70/29/88/573702988.db2.gz SZKUTNJNQVPZTN-IUCAKERBSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@@H]1CCCC[C@@]1(C)C=O 238483874 573703582 /nfs/dbraw/zinc/70/35/82/573703582.db2.gz NTPWCVZBVIEPAJ-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H]1CCCC(=O)[C@@H](C)[C@@H]1CCC=O 238483722 573703702 /nfs/dbraw/zinc/70/37/02/573703702.db2.gz RLKJLIKOXCXHQT-GARJFASQSA-N 0 0 196.290 2.607 10 30 AFEERN C=C(C)C[C@H]1C(=O)CCC[C@@H]1C 238483803 573703734 /nfs/dbraw/zinc/70/37/34/573703734.db2.gz YBKVMXRBTYKTCO-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@H]1C(=O)CCC[C@@H]1C 238483755 573704369 /nfs/dbraw/zinc/70/43/69/573704369.db2.gz JRZRAVAVGKAPKN-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)[C@H]1CCCc2ccccc21 83944218 573703789 /nfs/dbraw/zinc/70/37/89/573703789.db2.gz RATWUDNRSNCNFS-LBPRGKRZSA-N 0 0 186.254 2.862 10 30 AFEERN C[C@@]1(C=O)CC12CCCCC2 238483520 573703822 /nfs/dbraw/zinc/70/38/22/573703822.db2.gz JXFLVHCFAPQNNZ-VIFPVBQESA-N 0 0 152.237 2.546 10 30 AFEERN C=CC[C@H](O)c1ccoc1Cl 236522649 573703837 /nfs/dbraw/zinc/70/38/37/573703837.db2.gz MSJVSNUHGDTJEY-ZETCQYMHSA-N 0 0 172.611 2.543 10 30 AFEERN C=CC(=O)C(C)(C)c1ccccc1 83944138 573703859 /nfs/dbraw/zinc/70/38/59/573703859.db2.gz SRFMXFYIVDFDNK-UHFFFAOYSA-N 0 0 174.243 2.719 10 30 AFEERN C=CC[C@H]1CCCC[C@@]1(C)C=O 238483828 573703925 /nfs/dbraw/zinc/70/39/25/573703925.db2.gz NTPWCVZBVIEPAJ-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H]1Cc2ccc([C@H](C)C=O)cc2C1 238483703 573704007 /nfs/dbraw/zinc/70/40/07/573704007.db2.gz BANRPHAEPNIURS-VHSXEESVSA-N 0 0 188.270 2.724 10 30 AFEERN C=C1C[C@@]23CCCC[C@@]12C(=O)CC3 238014684 573704058 /nfs/dbraw/zinc/70/40/58/573704058.db2.gz GSECZFPZSMIVTD-RYUDHWBXSA-N 0 0 176.259 2.856 10 30 AFEERN Cc1nc2ccc([C@@H]3O[C@H]3C)cc2o1 259176663 573704060 /nfs/dbraw/zinc/70/40/60/573704060.db2.gz HCDREXFDYSLART-UPONEAKYSA-N 0 0 189.214 2.596 10 30 AFEERN CCC1(Nc2cccc(C#N)c2)CC1 306686725 573704143 /nfs/dbraw/zinc/70/41/43/573704143.db2.gz KNKXPLNOPDMCTD-UHFFFAOYSA-N 0 0 186.258 2.913 10 30 AFEERN C=CC(=O)c1cccc(Cl)c1F 83944310 573704182 /nfs/dbraw/zinc/70/41/82/573704182.db2.gz ZSSLDZCKJIOGKO-UHFFFAOYSA-N 0 0 184.597 2.848 10 30 AFEERN C[C@]12C=CC=C1[C@](C)(C=O)CCC2 238483950 573704253 /nfs/dbraw/zinc/70/42/53/573704253.db2.gz LTHULIWXISBBEO-NEPJUHHUSA-N 0 0 176.259 2.878 10 30 AFEERN C=CC(=O)[C@@H]1CCCc2ccccc21 83944216 573704291 /nfs/dbraw/zinc/70/42/91/573704291.db2.gz RATWUDNRSNCNFS-GFCCVEGCSA-N 0 0 186.254 2.862 10 30 AFEERN C=CC(=O)[C@H]1CC[C@@H](CC)C1 83944582 573704308 /nfs/dbraw/zinc/70/43/08/573704308.db2.gz GOZGFKJTOOSTBH-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@]1(C=O)CCC[C@]2(C)C=CC=C12 238483988 573704348 /nfs/dbraw/zinc/70/43/48/573704348.db2.gz LTHULIWXISBBEO-RYUDHWBXSA-N 0 0 176.259 2.878 10 30 AFEERN COc1ccc(C#N)cc1C(C)(F)F 258101032 573705783 /nfs/dbraw/zinc/70/57/83/573705783.db2.gz OUXCIIQMWVGSJF-UHFFFAOYSA-N 0 0 197.184 2.679 10 30 AFEERN C=C1C[C@]23CCCC[C@]12C(=O)CC3 238016645 573705868 /nfs/dbraw/zinc/70/58/68/573705868.db2.gz GSECZFPZSMIVTD-VXGBXAGGSA-N 0 0 176.259 2.856 10 30 AFEERN C=CC(=O)c1ccc(F)cc1Cl 83944114 573705947 /nfs/dbraw/zinc/70/59/47/573705947.db2.gz YBWLLLAWSJBFMO-UHFFFAOYSA-N 0 0 184.597 2.848 10 30 AFEERN C=C1C[C@H]1CC[C@@H]1CCCC1=O 238015322 573706022 /nfs/dbraw/zinc/70/60/22/573706022.db2.gz MUYHGDOGWNXFTL-VHSXEESVSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1C[C@]23CCCC(=O)[C@]12CCC3 238016563 573706165 /nfs/dbraw/zinc/70/61/65/573706165.db2.gz DGZZPHJJSHJKII-NEPJUHHUSA-N 0 0 176.259 2.856 10 30 AFEERN C=C1C[C@]23CCC[C@]12CCCC3=O 238016863 573706197 /nfs/dbraw/zinc/70/61/97/573706197.db2.gz XRPDDVKWXYOJIQ-NEPJUHHUSA-N 0 0 176.259 2.856 10 30 AFEERN C=C1C[C@H]1C(=O)C1CCCCC1 238015133 573706261 /nfs/dbraw/zinc/70/62/61/573706261.db2.gz HXRVSMFIYYVYQL-SNVBAGLBSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC(=O)C1(c2ccccc2)CCC1 83944158 573706295 /nfs/dbraw/zinc/70/62/95/573706295.db2.gz OGLCJGWUOMZXCG-UHFFFAOYSA-N 0 0 186.254 2.863 10 30 AFEERN CCCN(CC#N)[C@H](C)[C@H](C)CC 308422401 573706304 /nfs/dbraw/zinc/70/63/04/573706304.db2.gz PDOIIUKKIQBMSJ-GHMZBOCLSA-N 0 0 182.311 2.657 10 30 AFEERN C=CC(=O)[C@H]1CCC[C@H](C)C1 83943985 573706325 /nfs/dbraw/zinc/70/63/25/573706325.db2.gz HTANNSSGMCGGJA-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C[C@@H]1CC[C@H]1CCCC1=O 238013204 573706346 /nfs/dbraw/zinc/70/63/46/573706346.db2.gz MUYHGDOGWNXFTL-ZJUUUORDSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)c1ccc(F)c(C#N)c1 75839292 573706365 /nfs/dbraw/zinc/70/63/65/573706365.db2.gz DMBTWZRTTHIZPK-UHFFFAOYSA-N 0 0 163.195 2.821 10 30 AFEERN Cc1nc2ccc([C@H]3O[C@H]3C)cc2o1 259176657 573706445 /nfs/dbraw/zinc/70/64/45/573706445.db2.gz HCDREXFDYSLART-KGFZYKRKSA-N 0 0 189.214 2.596 10 30 AFEERN Cc1ccsc1[C@H](CC#N)N(C)C 259559727 573711355 /nfs/dbraw/zinc/71/13/55/573711355.db2.gz ORUIMAYKVQJCGM-VIFPVBQESA-N 0 0 194.303 2.573 10 30 AFEERN C=C1CCC[C@@]12CCC=CC2=O 238011321 573711371 /nfs/dbraw/zinc/71/13/71/573711371.db2.gz VVOPYYDRKFHJJI-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN C=CC#CC[C@@H](O)c1ccc(C)cc1 238490883 573710845 /nfs/dbraw/zinc/71/08/45/573710845.db2.gz ZXYAMIBQURFTOZ-CYBMUJFWSA-N 0 0 186.254 2.608 10 30 AFEERN C[C@H]1CCC2=C(CCCC2=O)C1 238491169 573710933 /nfs/dbraw/zinc/71/09/33/573710933.db2.gz JDZFAAHHJALFHQ-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C=C1CCCC[C@H]1C(=O)C1CC1 238010576 573710981 /nfs/dbraw/zinc/71/09/81/573710981.db2.gz VTIJCTVQBLWNOR-SNVBAGLBSA-N 0 0 164.248 2.712 10 30 AFEERN Fc1ccc2[nH]cc(CS)c2c1 258101500 573713481 /nfs/dbraw/zinc/71/34/81/573713481.db2.gz RZRIGUMJJYTKJX-UHFFFAOYSA-N 0 0 181.235 2.737 10 30 AFEERN CC#CCCC[C@@H]1CCCCC1=O 238029541 573718832 /nfs/dbraw/zinc/71/88/32/573718832.db2.gz XWKPCKHDAGTABI-LLVKDONJSA-N 0 0 178.275 2.939 10 30 AFEERN CC(C)CC1([C@@H](C#N)C(C)C)COC1 258512068 573718833 /nfs/dbraw/zinc/71/88/33/573718833.db2.gz GBMLDNDHACMCGI-NSHDSACASA-N 0 0 195.306 2.845 10 30 AFEERN CS[C@@H](/C=C\C(C)=O)C(C)C 215324676 573718857 /nfs/dbraw/zinc/71/88/57/573718857.db2.gz JVAOULLDLVOARW-UDIARPCQSA-N 0 0 172.293 2.519 10 30 AFEERN C=C1C(=O)[C@@H]2CCC[C@]23CCC[C@@H]13 238029960 573718910 /nfs/dbraw/zinc/71/89/10/573718910.db2.gz WKQFMNPTBVHSPW-NHCYSSNCSA-N 0 0 176.259 2.712 10 30 AFEERN C=C1C[C@]23CCC[C@@H]2CC[C@@H]3C1=O 238029714 573718995 /nfs/dbraw/zinc/71/89/95/573718995.db2.gz DCSDLSPAQBJXNU-CKYFFXLPSA-N 0 0 176.259 2.712 10 30 AFEERN C/C=C/[C@@H](C)/C=C(\C)CC=O 238027875 573719008 /nfs/dbraw/zinc/71/90/08/573719008.db2.gz CBYVAJHDLMPZSL-HETWNCKBSA-N 0 0 152.237 2.734 10 30 AFEERN CC#CCCC[C@@H]1CCCC1=O 238029504 573719090 /nfs/dbraw/zinc/71/90/90/573719090.db2.gz YLDZNZMYNBCVIM-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN CC#CCCC[C@H]1CCCC1=O 238029784 573719160 /nfs/dbraw/zinc/71/91/60/573719160.db2.gz YLDZNZMYNBCVIM-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN C=C1C[C@@]23CCC[C@@H](CC2)[C@@H]3C1=O 238029284 573719235 /nfs/dbraw/zinc/71/92/35/573719235.db2.gz PGTYYRGEXXSTFQ-HOSYDEDBSA-N 0 0 176.259 2.712 10 30 AFEERN CC#CCCC[C@H]1CCCCC1=O 238029823 573719370 /nfs/dbraw/zinc/71/93/70/573719370.db2.gz XWKPCKHDAGTABI-NSHDSACASA-N 0 0 178.275 2.939 10 30 AFEERN C[C@H](C=O)[C@@H]1CCCc2ccccc21 257855898 573719433 /nfs/dbraw/zinc/71/94/33/573719433.db2.gz PXFNDYKBCKBEMK-PWSUYJOCSA-N 0 0 188.270 2.942 10 30 AFEERN N#C[C@@]12CCCC=C1CCC2 108281839 573721447 /nfs/dbraw/zinc/72/14/47/573721447.db2.gz XNXILWAJJGOWMT-JTQLQIEISA-N 0 0 147.221 2.791 10 30 AFEERN CC1(C)CCSC[C@]1(Cl)C#N 86973401 573721489 /nfs/dbraw/zinc/72/14/89/573721489.db2.gz MBXDOJVMGQOXIJ-MRVPVSSYSA-N 0 0 189.711 2.651 10 30 AFEERN CC#C[C@@H](O)c1c(C)cc(C)cc1C 238042250 573721503 /nfs/dbraw/zinc/72/15/03/573721503.db2.gz ZHHGQKWPIFFWHQ-GFCCVEGCSA-N 0 0 188.270 2.669 10 30 AFEERN C=CC1C[C@H]2CC(=O)C[C@@H](C1)C2 238043856 573720961 /nfs/dbraw/zinc/72/09/61/573720961.db2.gz NQVLUULJAHECTC-PBINXNQUSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@](F)(C=O)c1ccc(Cl)s1 257855906 573721126 /nfs/dbraw/zinc/72/11/26/573721126.db2.gz PXOXBNSYUWGLIV-ZETCQYMHSA-N 0 0 192.642 2.785 10 30 AFEERN C=CC(=O)c1cc(C)c(OC)c(C)c1 83966631 573721272 /nfs/dbraw/zinc/72/12/72/573721272.db2.gz OBPZCFBLABHZSJ-UHFFFAOYSA-N 0 0 190.242 2.681 10 30 AFEERN CC#C[C@@]1(C)CCCC(C)(C)C1=O 238044673 573721380 /nfs/dbraw/zinc/72/13/80/573721380.db2.gz GRGYIZIDJRWGSW-LBPRGKRZSA-N 0 0 178.275 2.795 10 30 AFEERN CC#C[C@H](O)/C=C/[C@H]1CC=C(C)CC1 238047292 573723816 /nfs/dbraw/zinc/72/38/16/573723816.db2.gz LXONZFXUJFJLFT-MZWKFTRPSA-N 0 0 190.286 2.673 10 30 AFEERN C/C=C/[C@]1(C)C=C(C(C)=O)CC1 238047609 573724015 /nfs/dbraw/zinc/72/40/15/573724015.db2.gz GKTXRGASANAXNX-MALLOTDXSA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@@H](C#CC)[C@H]1CCCCC1=O 238046735 573724090 /nfs/dbraw/zinc/72/40/90/573724090.db2.gz ZPWFQAGDWCXYJO-WDEREUQCSA-N 0 0 176.259 2.571 10 30 AFEERN CC(=O)C(C)=C1[C@H]2CCCC[C@@H]12 238051287 573724150 /nfs/dbraw/zinc/72/41/50/573724150.db2.gz CTXVCGHADUWVMY-AOOOYVTPSA-N 0 0 164.248 2.712 10 30 AFEERN Nc1ccc2cc(CS)sc2c1 258104930 573724844 /nfs/dbraw/zinc/72/48/44/573724844.db2.gz SJOYEVXASOFSSS-UHFFFAOYSA-N 0 0 195.312 2.913 10 30 AFEERN C[C@@H]1C=C[C@H]([C@@H](C)CC=O)CC1 238485663 573725216 /nfs/dbraw/zinc/72/52/16/573725216.db2.gz QNOPEYBFROBYLR-VWYCJHECSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)CCCC[C@@H](C)O 197539401 573725323 /nfs/dbraw/zinc/72/53/23/573725323.db2.gz OXJBYVYAHMTVPA-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN SCCNc1coc2ccccc12 258892256 573725423 /nfs/dbraw/zinc/72/54/23/573725423.db2.gz NEQOHWBUQDPJEJ-UHFFFAOYSA-N 0 0 193.271 2.775 10 30 AFEERN CCc1ccc(F)c(CCC=O)c1 258107629 573725519 /nfs/dbraw/zinc/72/55/19/573725519.db2.gz YNFYWJMSSRPBDE-UHFFFAOYSA-N 0 0 180.222 2.520 10 30 AFEERN C=CC[C@@H](C)[C@H](O)c1cc(C)ccn1 715005293 573725542 /nfs/dbraw/zinc/72/55/42/573725542.db2.gz MQNOCPDEJRTYFR-PWSUYJOCSA-N 0 0 191.274 2.636 10 30 AFEERN C=C(C)C#C[C@H](O)c1ccccc1C 238057309 573725592 /nfs/dbraw/zinc/72/55/92/573725592.db2.gz HHIANINMCSSOPS-ZDUSSCGKSA-N 0 0 186.254 2.608 10 30 AFEERN Cc1cc(O)c(C2(C#N)CC2)cc1C 238487284 573728478 /nfs/dbraw/zinc/72/84/78/573728478.db2.gz NDPKMRWOPXOCHY-UHFFFAOYSA-N 0 0 187.242 2.564 10 30 AFEERN C=CCC[C@]1(C)CCCC1=O 238488415 573727820 /nfs/dbraw/zinc/72/78/20/573727820.db2.gz TXQGUAGTTYMDHT-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C#CCC[C@H](O)[C@H]1CCC[C@@H](C)C1 223355109 573727954 /nfs/dbraw/zinc/72/79/54/573727954.db2.gz LWUIVRMAIRHSQM-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN C[C@H]1CC=C(Nc2ccccc2)C1=O 238488566 573727970 /nfs/dbraw/zinc/72/79/70/573727970.db2.gz XTEJMPWCFINAFT-VIFPVBQESA-N 0 0 187.242 2.591 10 30 AFEERN CC(=O)C1=C(C)CCCCC1 238058816 573728038 /nfs/dbraw/zinc/72/80/38/573728038.db2.gz GJSXBPTVVZONEY-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN C[C@H]1CCCCC[C@H](C=O)C1 238488219 573728089 /nfs/dbraw/zinc/72/80/89/573728089.db2.gz VZTKRTJCNKIOJW-UWVGGRQHSA-N 0 0 154.253 2.792 10 30 AFEERN Cc1ccc(C#N)c2cc(N)sc12 306695612 573728140 /nfs/dbraw/zinc/72/81/40/573728140.db2.gz WHHICMRRPOKTIR-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=C(C)C(=C)[C@H](O)c1ccccc1 238058836 573728147 /nfs/dbraw/zinc/72/81/47/573728147.db2.gz OYZAOJYVWOPBCW-LBPRGKRZSA-N 0 0 174.243 2.852 10 30 AFEERN C[C@@]1(CCC#N)CCCC[C@H]1C=O 238487789 573728169 /nfs/dbraw/zinc/72/81/69/573728169.db2.gz RMMNIIKKPGOGNB-QWRGUYRKSA-N 0 0 179.263 2.686 10 30 AFEERN C#CCC[C@H]1C[C@H](C(C)C)CC[C@@H]1O 223357577 573728199 /nfs/dbraw/zinc/72/81/99/573728199.db2.gz WZLSRJGBYJWIGC-AGIUHOORSA-N 0 0 194.318 2.833 10 30 AFEERN CC(=O)C1=C(C)C(C)(C)CC1 238058522 573728230 /nfs/dbraw/zinc/72/82/30/573728230.db2.gz IDLOHXWNVUTLMS-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(CCC=O)C1CCCC1 238057361 573728238 /nfs/dbraw/zinc/72/82/38/573728238.db2.gz FDLBGZQRQHLXEI-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC(C)(C)[C@H](O)C#CC(=C)C 238056284 573728380 /nfs/dbraw/zinc/72/83/80/573728380.db2.gz AXTKVJNPJJSDOW-LLVKDONJSA-N 0 0 178.275 2.529 10 30 AFEERN C[C@@]1(CCC#N)CCCCCC1=O 238487743 573730432 /nfs/dbraw/zinc/73/04/32/573730432.db2.gz IKSFEZKMPNSQMM-NSHDSACASA-N 0 0 179.263 2.830 10 30 AFEERN C[C@@]1(CC=O)C[C@@H]1c1ccccc1 238487455 573730436 /nfs/dbraw/zinc/73/04/36/573730436.db2.gz PEIIRYNZVATDFI-VXGBXAGGSA-N 0 0 174.243 2.769 10 30 AFEERN CC(=O)C1(CC=O)CCCCCCC1 238056751 573730523 /nfs/dbraw/zinc/73/05/23/573730523.db2.gz YBDQNJFSUODYBW-UHFFFAOYSA-N 0 0 196.290 2.895 10 30 AFEERN CCc1cc(F)cc(CCC=O)c1 258109836 573730578 /nfs/dbraw/zinc/73/05/78/573730578.db2.gz YYTCPGFJZIAMDP-UHFFFAOYSA-N 0 0 180.222 2.520 10 30 AFEERN CC1=C2CCC(=O)C=C2C[C@@H]1C 238488060 573730752 /nfs/dbraw/zinc/73/07/52/573730752.db2.gz ZUKJIASWUJLSSY-ZETCQYMHSA-N 0 0 162.232 2.632 10 30 AFEERN C=CCCCC1CSC1 238052092 573731133 /nfs/dbraw/zinc/73/11/33/573731133.db2.gz LHSNLIMUXOHUPT-UHFFFAOYSA-N 0 0 142.267 2.706 10 30 AFEERN CC1(C)CCC2=C(CCC2)C1=O 224635484 573735689 /nfs/dbraw/zinc/73/56/89/573735689.db2.gz RKPIIWWZHSZHOZ-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C=CC[C@H](C)[C@H](O)[C@@]12CCC[C@@H]1C2 715007031 573735694 /nfs/dbraw/zinc/73/56/94/573735694.db2.gz ABSSKLMFZINZSP-WHOHXGKFSA-N 0 0 180.291 2.750 10 30 AFEERN C=C[C@@]1(C)C(=O)[C@@H](C)CC[C@@H]1C 223371166 573734923 /nfs/dbraw/zinc/73/49/23/573734923.db2.gz YAPOOORHBZTMHA-ATZCPNFKSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)C[C@@H](NCCC)C(F)(F)F 130919389 573735026 /nfs/dbraw/zinc/73/50/26/573735026.db2.gz UYSNIYWUURHPPB-MRVPVSSYSA-N 0 0 195.228 2.883 10 30 AFEERN C[C@H]1C=CC2=CC(=O)CC[C@@]2(C)C1 238489727 573735043 /nfs/dbraw/zinc/73/50/43/573735043.db2.gz FWTDYNBWCCPHTD-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc(C(C)(C)C#N)ccc1C#N 238488739 573735151 /nfs/dbraw/zinc/73/51/51/573735151.db2.gz JJMOAIVPPTVGSU-UHFFFAOYSA-N 0 0 184.242 2.668 10 30 AFEERN C=C(C)[C@@H](CCC)C(C)=O 144724437 573735160 /nfs/dbraw/zinc/73/51/60/573735160.db2.gz IIMCLSMRECWCLU-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN CCc1cccc2cc(C#N)[nH]c12 259563230 573735209 /nfs/dbraw/zinc/73/52/09/573735209.db2.gz COGPARHXIGKIQM-UHFFFAOYSA-N 0 0 170.215 2.602 10 30 AFEERN C=CC[C@H](C)[C@@H](CC)[C@@H](C)O 715006719 573735355 /nfs/dbraw/zinc/73/53/55/573735355.db2.gz VHASKCUDPJKBDB-IVZWLZJFSA-N 0 0 156.269 2.606 10 30 AFEERN [N-]=[N+]=Nc1nccc2ccc(O)cc12 236609175 573735463 /nfs/dbraw/zinc/73/54/63/573735463.db2.gz MGAWBBLRYRWXDZ-UHFFFAOYSA-N 0 0 186.174 2.882 10 30 AFEERN C=C(C)[C@@]1(C)CC(C)(C)C1=O 224632673 573735491 /nfs/dbraw/zinc/73/54/91/573735491.db2.gz BVBGVGPWJCHZJT-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1[C@@H](C)CC[C@@]1(C)C(C)=O 238489585 573735538 /nfs/dbraw/zinc/73/55/38/573735538.db2.gz QJPMSDWLEDRSFU-OIBJUYFYSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1CCC(=C2CCCC2)C1=O 238489163 573735547 /nfs/dbraw/zinc/73/55/47/573735547.db2.gz DUVGVSNISBTAKU-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN CC(=O)C1=Cc2ccc(C)cc2C1 108289904 573735621 /nfs/dbraw/zinc/73/56/21/573735621.db2.gz ZOKRVZQAVSHHSS-UHFFFAOYSA-N 0 0 172.227 2.524 10 30 AFEERN C=C(C)[C@]1(C)CC[C@H](C)C(=O)C1 238489561 573736170 /nfs/dbraw/zinc/73/61/70/573736170.db2.gz WSYAHLXPXRYJNN-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCC[C@@]1(C)CCC=O 238488929 573736202 /nfs/dbraw/zinc/73/62/02/573736202.db2.gz ZQMMJHJFDDPGAL-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN CSc1cc(C)ccc1CCC=O 258113328 573736313 /nfs/dbraw/zinc/73/63/13/573736313.db2.gz PTKWRMUEGMZZFY-UHFFFAOYSA-N 0 0 194.299 2.848 10 30 AFEERN CC(C)(C#N)c1ccc(F)cc1F 75934336 573736377 /nfs/dbraw/zinc/73/63/77/573736377.db2.gz VPPNOGQAIWDWBU-UHFFFAOYSA-N 0 0 181.185 2.766 10 30 AFEERN Cc1c(F)ccc(O)c1[C@@H](C)CC=O 258113408 573736399 /nfs/dbraw/zinc/73/63/99/573736399.db2.gz PWFBIGXIHBXUQM-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN C=C(C)C[C@]1(C)CC[C@H](C)C1=O 238489961 573736441 /nfs/dbraw/zinc/73/64/41/573736441.db2.gz XWUSFAWHFMXLRV-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN CO[C@@H](C#N)c1cccc(C2CC2)c1 87014058 573736561 /nfs/dbraw/zinc/73/65/61/573736561.db2.gz YQQKAXQPXACSQH-LBPRGKRZSA-N 0 0 187.242 2.775 10 30 AFEERN C=CC#CC[C@H](O)c1ccccc1C 238489237 573736620 /nfs/dbraw/zinc/73/66/20/573736620.db2.gz IJNFRLTXGDXQLF-ZDUSSCGKSA-N 0 0 186.254 2.608 10 30 AFEERN Cc1cc2cc(C#N)[nH]c2cc1C 221802089 573744365 /nfs/dbraw/zinc/74/43/65/573744365.db2.gz ZBULUAHXEKGZIA-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN O=C[C@@H]1C[C@H]2CC=C[C@]12c1ccccc1 308693690 573738286 /nfs/dbraw/zinc/73/82/86/573738286.db2.gz BQLGRGPMSHXHKG-HZSPNIEDSA-N 0 0 198.265 2.719 10 30 AFEERN C=CCC1=C(C)[C@@H](C(C)=O)CC1 238071957 573738475 /nfs/dbraw/zinc/73/84/75/573738475.db2.gz OPGJWFJIUGGBJO-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CO[C@H](C#N)c1ccc(C2CC2)cc1 87014064 573738582 /nfs/dbraw/zinc/73/85/82/573738582.db2.gz BQRFWSHTQFORCU-GFCCVEGCSA-N 0 0 187.242 2.775 10 30 AFEERN C=C[C@@H](CC)OC(=O)CC1(C)CC1 308427462 573738708 /nfs/dbraw/zinc/73/87/08/573738708.db2.gz RTXFVCNPEQGTNF-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C#CCCSCc1ccc(C)cn1 393559968 573738729 /nfs/dbraw/zinc/73/87/29/573738729.db2.gz YUWIAEOSSGCRIJ-UHFFFAOYSA-N 0 0 191.299 2.647 10 30 AFEERN N#CC[C@@H](O)c1ccc(C2CC2)cc1 87014212 573738757 /nfs/dbraw/zinc/73/87/57/573738757.db2.gz VYJWZSWAPAFMNU-GFCCVEGCSA-N 0 0 187.242 2.511 10 30 AFEERN CC(=O)C1=C2CCC[C@]2(C)CC1 238071995 573738763 /nfs/dbraw/zinc/73/87/63/573738763.db2.gz RCFWTYZEOBDRDJ-LLVKDONJSA-N 0 0 164.248 2.856 10 30 AFEERN C=CCC1=CC[C@@H](C(C)=O)CC1 238072001 573738799 /nfs/dbraw/zinc/73/87/99/573738799.db2.gz AYKSVRUIHCIQSN-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN Cc1ccc(C)c([C@@H](C)CC=O)c1O 258103671 573743138 /nfs/dbraw/zinc/74/31/38/573743138.db2.gz OZGWAIZMNCKXRL-VIFPVBQESA-N 0 0 192.258 2.702 10 30 AFEERN C/C=C1/C(=O)C[C@@H]2CCC=C[C@]12C 238076631 573742535 /nfs/dbraw/zinc/74/25/35/573742535.db2.gz XWMZAWAUQZNALF-QJKGXXIRSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@]1(c2ccccc2)C[C@@]1(Cl)C=O 238502365 573742650 /nfs/dbraw/zinc/74/26/50/573742650.db2.gz RZEJEMIVIJSIHF-WDEREUQCSA-N 0 0 194.661 2.525 10 30 AFEERN C=CC[C@@]1(C)CCC[C@@H]1C(C)=O 238076437 573742711 /nfs/dbraw/zinc/74/27/11/573742711.db2.gz YPEQJJWDVVKJLM-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN O=CCCc1ccc(CC(F)F)cc1 258103617 573742817 /nfs/dbraw/zinc/74/28/17/573742817.db2.gz OYLFYYFMGKTHMW-UHFFFAOYSA-N 0 0 198.212 2.626 10 30 AFEERN N#CC[C@H](O)c1ccccc1C1CC1 87015912 573742820 /nfs/dbraw/zinc/74/28/20/573742820.db2.gz YZBZOMBBPPKBCO-LBPRGKRZSA-N 0 0 187.242 2.511 10 30 AFEERN Cc1ccc(C)c([C@H](C)CC=O)c1O 258103669 573742841 /nfs/dbraw/zinc/74/28/41/573742841.db2.gz OZGWAIZMNCKXRL-SECBINFHSA-N 0 0 192.258 2.702 10 30 AFEERN C=CCC[C@@H]1CCCC2(C1)OCCO2 238060743 573742961 /nfs/dbraw/zinc/74/29/61/573742961.db2.gz JHMBPBXSRFQVSI-LLVKDONJSA-N 0 0 196.290 2.886 10 30 AFEERN c1ccc([C@H]2CO2)c(C2CC2)c1 87015630 573745836 /nfs/dbraw/zinc/74/58/36/573745836.db2.gz UOQPQRWQSSLCCS-LLVKDONJSA-N 0 0 160.216 2.635 10 30 AFEERN C=C[C@H]1CC(=O)C[C@@H](/C=C/C)C1 238062233 573745261 /nfs/dbraw/zinc/74/52/61/573745261.db2.gz VEIIHICOAZFQSQ-AEJJFCSLSA-N 0 0 164.248 2.734 10 30 AFEERN CSc1cccc(C(C)(C)C=O)c1 257863860 573745269 /nfs/dbraw/zinc/74/52/69/573745269.db2.gz RQKHNUIYDMSQEU-UHFFFAOYSA-N 0 0 194.299 2.885 10 30 AFEERN Cc1cnc(C(F)F)c(C)c1CC#N 238500972 573745289 /nfs/dbraw/zinc/74/52/89/573745289.db2.gz SLEBYBUMJWNGKX-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN c1ccc([C@@H]2CO2)c(C2CC2)c1 87015627 573745410 /nfs/dbraw/zinc/74/54/10/573745410.db2.gz UOQPQRWQSSLCCS-NSHDSACASA-N 0 0 160.216 2.635 10 30 AFEERN CC(C)CC[C@]1(C)CC[C@@](C)(C=O)O1 308702491 573745530 /nfs/dbraw/zinc/74/55/30/573745530.db2.gz VJYMOAKPEXUOSE-NEPJUHHUSA-N 0 0 198.306 2.949 10 30 AFEERN C=C(C)CC(=O)Nc1ccc(C)cc1 238076162 573745650 /nfs/dbraw/zinc/74/56/50/573745650.db2.gz NHFOPWNSLCKPQC-UHFFFAOYSA-N 0 0 189.258 2.900 10 30 AFEERN CCc1ccsc1C(=O)[C@@H](C)C#N 87017153 573745655 /nfs/dbraw/zinc/74/56/55/573745655.db2.gz UNJLAUFHARHOLI-ZETCQYMHSA-N 0 0 193.271 2.653 10 30 AFEERN C=C[C@@H]1C=CC[C@]2(C)C(=O)CC[C@@H]12 238501475 573745707 /nfs/dbraw/zinc/74/57/07/573745707.db2.gz OVXWBGFZEYBIDK-SCVCMEIPSA-N 0 0 176.259 2.734 10 30 AFEERN CCOc1ccc([C@H]2O[C@@H]2C)cc1 258902656 573745735 /nfs/dbraw/zinc/74/57/35/573745735.db2.gz VDNYEBBGRYPQQX-KCJUWKMLSA-N 0 0 178.231 2.545 10 30 AFEERN C=C(C)C[C@]1(F)CCCCC1=O 144875650 573745741 /nfs/dbraw/zinc/74/57/41/573745741.db2.gz PYYAVVQEZWHGGG-SNVBAGLBSA-N 0 0 170.227 2.804 10 30 AFEERN C=CCNc1cc2cccnc2s1 238076155 573745759 /nfs/dbraw/zinc/74/57/59/573745759.db2.gz HEFQVMYTPSFATQ-UHFFFAOYSA-N 0 0 190.271 2.894 10 30 AFEERN C=CC[C@@H]1C/C(=C\C)CCC1=O 238069714 573745764 /nfs/dbraw/zinc/74/57/64/573745764.db2.gz SMQSVLGFMJONCD-ZUYFITGHSA-N 0 0 164.248 2.878 10 30 AFEERN COc1cc(F)ccc1[C@@H](C)CC=O 258115991 573745794 /nfs/dbraw/zinc/74/57/94/573745794.db2.gz QBKQLBLJZRHBMZ-QMMMGPOBSA-N 0 0 196.221 2.527 10 30 AFEERN Cc1cc(C)c(C)c(NCC=O)c1C 258902281 573747203 /nfs/dbraw/zinc/74/72/03/573747203.db2.gz OFWCPKFPPPZMQS-UHFFFAOYSA-N 0 0 191.274 2.531 10 30 AFEERN N#CCC#Cc1ccccc1Cl 238496932 573747412 /nfs/dbraw/zinc/74/74/12/573747412.db2.gz UZOOITOOOZKQHX-UHFFFAOYSA-N 0 0 175.618 2.605 10 30 AFEERN C=C1C[C@@]2(C)CC[C@@H]1C=C2C(C)=O 238066894 573747474 /nfs/dbraw/zinc/74/74/74/573747474.db2.gz BYORZPRVVUHESE-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc(C)c(C#N)c(C(C)C)n1 33834770 573747482 /nfs/dbraw/zinc/74/74/82/573747482.db2.gz GGRKPLKTGKOKMT-UHFFFAOYSA-N 0 0 174.247 2.694 10 30 AFEERN C=C1C=C[C@]2(C)C(=O)CCC[C@@H]2C1 238497839 573747509 /nfs/dbraw/zinc/74/75/09/573747509.db2.gz LAMSPZUGMLGZLS-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN CC(=O)C1=CCCCC1(C)C 238064010 573747623 /nfs/dbraw/zinc/74/76/23/573747623.db2.gz BOWWKVMJJWMMCA-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cc2c(C)cc(C#N)cc2[nH]1 238498145 573747629 /nfs/dbraw/zinc/74/76/29/573747629.db2.gz GIIUKEPILVXTOI-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN C[C@H](C#N)Nc1ccc(Cl)s1 258901225 573747636 /nfs/dbraw/zinc/74/76/36/573747636.db2.gz XVELKCOCAAJOCM-RXMQYKEDSA-N 0 0 186.667 2.725 10 30 AFEERN COc1cc(F)ccc1[C@H](C)CC=O 258115987 573747637 /nfs/dbraw/zinc/74/76/37/573747637.db2.gz QBKQLBLJZRHBMZ-MRVPVSSYSA-N 0 0 196.221 2.527 10 30 AFEERN Cc1cnc(C#N)c(C(F)F)c1C 238496950 573747653 /nfs/dbraw/zinc/74/76/53/573747653.db2.gz ISALJVUALAHMDH-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=C1C=C[C@]2(C)C(=O)CCC[C@H]2C1 238497825 573750739 /nfs/dbraw/zinc/75/07/39/573750739.db2.gz LAMSPZUGMLGZLS-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)=CC1=C[C@@H](C)C[C@H]1C=O 238496911 573750028 /nfs/dbraw/zinc/75/00/28/573750028.db2.gz VASFSHSYJIDJMO-KOLCDFICSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@H]1COc2c1cc(O)c(C)c2C 238497867 573750074 /nfs/dbraw/zinc/75/00/74/573750074.db2.gz ZJTYDKJUXORZKN-VIFPVBQESA-N 0 0 190.242 2.671 10 30 AFEERN Cc1ccc2c(c1)C[C@H]([C@@H](C)C=O)C2 257865415 573750121 /nfs/dbraw/zinc/75/01/21/573750121.db2.gz RWQPBTUBBNXHLB-CMPLNLGQSA-N 0 0 188.270 2.545 10 30 AFEERN CC(=O)C1=C[C@@H]2CC[C@@]1(C)C2(C)C 238066120 573750145 /nfs/dbraw/zinc/75/01/45/573750145.db2.gz QVYVLQPQNCAPTD-JOYOIKCWSA-N 0 0 178.275 2.958 10 30 AFEERN C/C=C1/C(=O)[C@H]2CCC[C@H]2C1(C)C 238076841 573750180 /nfs/dbraw/zinc/75/01/80/573750180.db2.gz PZBNFOARBQZUJH-DLGWSKDZSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cc(C(F)F)c(C#N)nc1C 238498278 573750220 /nfs/dbraw/zinc/75/02/20/573750220.db2.gz WHWSIDBRDNISOM-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=CCCC(=O)[C@H](OC)C(C)(C)C 132192490 573750457 /nfs/dbraw/zinc/75/04/57/573750457.db2.gz BSPFFEKVQRGOPI-JTQLQIEISA-N 0 0 184.279 2.583 10 30 AFEERN CC(=O)/C(C)=C/[C@H]1CC=CCC1 143349292 573750476 /nfs/dbraw/zinc/75/04/76/573750476.db2.gz XXAKYUNRXXNGSF-FBOQAHMBSA-N 0 0 164.248 2.878 10 30 AFEERN C=CCC[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 238064072 573750592 /nfs/dbraw/zinc/75/05/92/573750592.db2.gz UGNBLIPCXISEAN-UTLUCORTSA-N 0 0 164.248 2.568 10 30 AFEERN C=Cc1ccccc1NC(=O)C(=C)C 238066018 573750706 /nfs/dbraw/zinc/75/07/06/573750706.db2.gz WFIRTZDCJRZWCC-UHFFFAOYSA-N 0 0 187.242 2.844 10 30 AFEERN Cc1ccc(C2(C=O)CC(F)C2)cc1 257865498 573754090 /nfs/dbraw/zinc/75/40/90/573754090.db2.gz SAJLQEXHMABCSI-UHFFFAOYSA-N 0 0 192.233 2.564 10 30 AFEERN C=C(CC(C)=O)C(C)(C)C 238079075 573753249 /nfs/dbraw/zinc/75/32/49/573753249.db2.gz ABSVNDBMBYGXSY-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN Cc1ccc(Cl)cc1C(=O)CC#N 125039449 573753325 /nfs/dbraw/zinc/75/33/25/573753325.db2.gz ZIJJZPWAHFFITN-UHFFFAOYSA-N 0 0 193.633 2.745 10 30 AFEERN Cc1ccc2c(c1)C[C@H]([C@H](C)C=O)C2 257865418 573753347 /nfs/dbraw/zinc/75/33/47/573753347.db2.gz RWQPBTUBBNXHLB-ZYHUDNBSSA-N 0 0 188.270 2.545 10 30 AFEERN C=CCCC(=O)[C@@H](OC)C(C)(C)C 132192296 573753350 /nfs/dbraw/zinc/75/33/50/573753350.db2.gz BSPFFEKVQRGOPI-SNVBAGLBSA-N 0 0 184.279 2.583 10 30 AFEERN Cc1cc(C(F)F)c(C)c(CC#N)n1 238499820 573753362 /nfs/dbraw/zinc/75/33/62/573753362.db2.gz ZIRYLHXESBPQPH-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN C=C1CC=C[C@@]2(C)CC(=O)CC[C@@H]12 238499431 573753420 /nfs/dbraw/zinc/75/34/20/573753420.db2.gz VUESWIZDVGZPHY-RYUDHWBXSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc2c(CC#N)ccc(F)c2[nH]1 238499148 573753480 /nfs/dbraw/zinc/75/34/80/573753480.db2.gz SQYGVJAAALRYKB-UHFFFAOYSA-N 0 0 188.205 2.682 10 30 AFEERN Cc1nc(C(F)F)cc(CC#N)c1C 238498669 573753580 /nfs/dbraw/zinc/75/35/80/573753580.db2.gz PHXNTBPRLCCXKR-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN Cc1nc2ccc(C#N)c(C)c2s1 238499380 573753668 /nfs/dbraw/zinc/75/36/68/573753668.db2.gz LKQKRZMHPDCZGE-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN Cc1cc(C(F)F)c(C)c(C#N)n1 238499646 573753724 /nfs/dbraw/zinc/75/37/24/573753724.db2.gz INYYWTQASPOSJI-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN O=CCCC(Cl)=C(Cl)Cl 238499382 573753898 /nfs/dbraw/zinc/75/38/98/573753898.db2.gz YTAXHGCSEMAQIW-UHFFFAOYSA-N 0 0 187.453 2.851 10 30 AFEERN C=CCC[C@@H](C)Nc1ccc(=O)[nH]c1 308707130 573753943 /nfs/dbraw/zinc/75/39/43/573753943.db2.gz XBULXPQIHJOPAT-SECBINFHSA-N 0 0 192.262 2.554 10 30 AFEERN Cc1nc2ccc(C#N)c(F)c2s1 238499425 573753961 /nfs/dbraw/zinc/75/39/61/573753961.db2.gz HJRJIJMKMSPLNU-UHFFFAOYSA-N 0 0 192.218 2.616 10 30 AFEERN C/C=C1\C(=O)C[C@@H]2CCCC[C@@H]12 238078371 573754000 /nfs/dbraw/zinc/75/40/00/573754000.db2.gz DAFBKMNLEZVASQ-WOUAUZPBSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc(Cl)cc1OCC#N 84058795 573754044 /nfs/dbraw/zinc/75/40/44/573754044.db2.gz WOBJFGVTYYIRNJ-UHFFFAOYSA-N 0 0 181.622 2.551 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@H](C=O)[C@@H]12 238505763 573760091 /nfs/dbraw/zinc/76/00/91/573760091.db2.gz VHKBQEGOSCKASW-IJLUTSLNSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@]12C=CC(=O)[C@@]13CCC[C@@H]3CC2 238506155 573760128 /nfs/dbraw/zinc/76/01/28/573760128.db2.gz QZUNYFDFZPFOHC-USWWRNFRSA-N 0 0 176.259 2.712 10 30 AFEERN Cc1ccc2c(c1)CC[C@H]2CC#N 238505694 573760271 /nfs/dbraw/zinc/76/02/71/573760271.db2.gz ZGGZMPCVVBUJDJ-JTQLQIEISA-N 0 0 171.243 2.939 10 30 AFEERN C=C1CCC[C@]2(C)CC(=O)C=C12 238505618 573760305 /nfs/dbraw/zinc/76/03/05/573760305.db2.gz GOMWYNRAHRKHID-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN N#Cc1nc(Cl)cc2ccccc12 306703631 573760326 /nfs/dbraw/zinc/76/03/26/573760326.db2.gz ISEAZDULMDMRJS-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN CC[C@H](C#N)C[NH2+]CC(C)(C)C(C)C 258915310 573760498 /nfs/dbraw/zinc/76/04/98/573760498.db2.gz GGDVXNHPRCCIQD-LLVKDONJSA-N 0 0 196.338 2.808 10 30 AFEERN Nc1cccc(C2(CS)CCC2)c1 259620267 573760633 /nfs/dbraw/zinc/76/06/33/573760633.db2.gz FEWGKYMCYIKPGD-UHFFFAOYSA-N 0 0 193.315 2.620 10 30 AFEERN Cc1cc(C)cc(N(C)CCS)c1 87074099 573760654 /nfs/dbraw/zinc/76/06/54/573760654.db2.gz MRCKRYSXFAZFKP-UHFFFAOYSA-N 0 0 195.331 2.669 10 30 AFEERN C[C@H](CC=O)c1cccc2ccncc12 258121762 573764361 /nfs/dbraw/zinc/76/43/61/573764361.db2.gz MIRCGLICWVINFK-SNVBAGLBSA-N 0 0 199.253 2.927 10 30 AFEERN CC(C)(C)[C@@H]1CC=C(C#CCO)CC1 238089233 573763620 /nfs/dbraw/zinc/76/36/20/573763620.db2.gz SCNNOIVNRIJHLS-GFCCVEGCSA-N 0 0 192.302 2.755 10 30 AFEERN C[C@]12CCCC1=C(Cl)C(=O)C2 238507179 573763799 /nfs/dbraw/zinc/76/37/99/573763799.db2.gz HXOXUEKYVORSBK-SECBINFHSA-N 0 0 170.639 2.642 10 30 AFEERN C[C@]12CCCCC=C1C(=O)CC2 238508073 573763879 /nfs/dbraw/zinc/76/38/79/573763879.db2.gz KPLOEFNGNFLDDJ-LLVKDONJSA-N 0 0 164.248 2.856 10 30 AFEERN C=CC[C@H]1CCC(=O)C=C1Cl 238508213 573763924 /nfs/dbraw/zinc/76/39/24/573763924.db2.gz ONGQOWUCEHNSBI-ZETCQYMHSA-N 0 0 170.639 2.664 10 30 AFEERN C=CC[C@@H]1CCCC[C@@H]2C[C@@H]2C1=O 238089937 573764121 /nfs/dbraw/zinc/76/41/21/573764121.db2.gz NNWWUGCBKKUVCX-MXWKQRLJSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1nc(C)c(C(F)F)cc1C#N 238510134 573767334 /nfs/dbraw/zinc/76/73/34/573767334.db2.gz VWIDAAVTWGCRNZ-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=CCCCOCC1(CS)CC1 87082886 573767343 /nfs/dbraw/zinc/76/73/43/573767343.db2.gz ODFPLYDKLYQIDI-UHFFFAOYSA-N 0 0 186.320 2.679 10 30 AFEERN Cc1occ(-c2ccccn2)c1CC#N 259620545 573767614 /nfs/dbraw/zinc/76/76/14/573767614.db2.gz HHAIIIHQTYWOBN-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1ccc(F)cc1 258927944 573767732 /nfs/dbraw/zinc/76/77/32/573767732.db2.gz AEZNTAUBMNJCFA-GHMZBOCLSA-N 0 0 175.206 2.843 10 30 AFEERN Fc1cccc2c(CS)c[nH]c12 257871127 573767742 /nfs/dbraw/zinc/76/77/42/573767742.db2.gz IDDUVYZBJSYZNH-UHFFFAOYSA-N 0 0 181.235 2.737 10 30 AFEERN C=CC[C@@]12CCCC(=O)[C@H]1CC2 238092008 573767789 /nfs/dbraw/zinc/76/77/89/573767789.db2.gz FSFOMJALTZCEGS-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)(C)[C@H]1CCC[C@H](CC=O)O1 238091572 573767829 /nfs/dbraw/zinc/76/78/29/573767829.db2.gz DVGUJYJMCPBDHF-NXEZZACHSA-N 0 0 184.279 2.559 10 30 AFEERN Cc1ccc([C@H](O)CCS)c(C)c1 259178056 573767874 /nfs/dbraw/zinc/76/78/74/573767874.db2.gz OSUMJKGJEQYGQI-LLVKDONJSA-N 0 0 196.315 2.657 10 30 AFEERN CCC1(CC)[C@H](C#N)C12CC2 259620575 573767937 /nfs/dbraw/zinc/76/79/37/573767937.db2.gz NNHIPYBQCOISFT-QMMMGPOBSA-N 0 0 149.237 2.726 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1ccc(F)cc1 258927949 573767941 /nfs/dbraw/zinc/76/79/41/573767941.db2.gz AEZNTAUBMNJCFA-WDEREUQCSA-N 0 0 175.206 2.843 10 30 AFEERN C[C@]12CCCC[C@@H]1CC=CC2=O 238509193 573770222 /nfs/dbraw/zinc/77/02/22/573770222.db2.gz GDWQLIUHRRPPDG-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1CCCC[C@@H]1OCCS 87079328 573770248 /nfs/dbraw/zinc/77/02/48/573770248.db2.gz VBHVLSJROLYPNI-BDAKNGLRSA-N 0 0 174.309 2.512 10 30 AFEERN C[C@@H](CS)COCc1ccccc1 87079011 573770255 /nfs/dbraw/zinc/77/02/55/573770255.db2.gz ZCOGBSDEPCEBNP-SNVBAGLBSA-N 0 0 196.315 2.769 10 30 AFEERN CC(C)C[C@]1(C)C[C@@H]1C#N 258933784 573770304 /nfs/dbraw/zinc/77/03/04/573770304.db2.gz BEAQVFROTROADQ-RKDXNWHRSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H]1CCCC[C@@H]1OCCS 87079329 573770342 /nfs/dbraw/zinc/77/03/42/573770342.db2.gz VBHVLSJROLYPNI-IUCAKERBSA-N 0 0 174.309 2.512 10 30 AFEERN Cc1cc(C)n(CCCCCS)n1 87091160 573770402 /nfs/dbraw/zinc/77/04/02/573770402.db2.gz KCFWOOQASPSYJJ-UHFFFAOYSA-N 0 0 198.335 2.600 10 30 AFEERN Cc1cccc(C(=O)C2(C#N)CCC2)c1 259177796 573770552 /nfs/dbraw/zinc/77/05/52/573770552.db2.gz MXOSEBWRYFTXIL-UHFFFAOYSA-N 0 0 199.253 2.872 10 30 AFEERN CCc1csc(CC2(C#N)CC2)n1 259177301 573770601 /nfs/dbraw/zinc/77/06/01/573770601.db2.gz GSZXZHLHZGTKSW-UHFFFAOYSA-N 0 0 192.287 2.552 10 30 AFEERN C[C@@H](CS)COC1CCCC1 87078984 573770638 /nfs/dbraw/zinc/77/06/38/573770638.db2.gz UMZOZMAEGOBWQQ-MRVPVSSYSA-N 0 0 174.309 2.512 10 30 AFEERN Cc1ccc([C@@H](F)C=O)c(C)c1 258422239 573770653 /nfs/dbraw/zinc/77/06/53/573770653.db2.gz CBRYSRZPTBALTC-JTQLQIEISA-N 0 0 166.195 2.513 10 30 AFEERN C[C@@H]1CCC[C@H](OCCS)C1 87080092 573770696 /nfs/dbraw/zinc/77/06/96/573770696.db2.gz OBECOUHUWGYNSY-BDAKNGLRSA-N 0 0 174.309 2.512 10 30 AFEERN C=C1C[C@H]2CCCC[C@]2(C)C1=O 238508976 573770733 /nfs/dbraw/zinc/77/07/33/573770733.db2.gz RLLZQCGBBFVKOM-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc([C@H](F)C=O)c(C)c1 258422251 573770754 /nfs/dbraw/zinc/77/07/54/573770754.db2.gz CBRYSRZPTBALTC-SNVBAGLBSA-N 0 0 166.195 2.513 10 30 AFEERN Cc1ccc2[nH]c(C)c(C#N)c2c1C 238508561 573770772 /nfs/dbraw/zinc/77/07/72/573770772.db2.gz WTQUTZFHLPOPLR-UHFFFAOYSA-N 0 0 184.242 2.965 10 30 AFEERN CCCCCCOCCS 87080056 573770791 /nfs/dbraw/zinc/77/07/91/573770791.db2.gz FPBRQEOVLDMJJP-UHFFFAOYSA-N 0 0 162.298 2.513 10 30 AFEERN SCCOCCCc1ccccc1 87082145 573770852 /nfs/dbraw/zinc/77/08/52/573770852.db2.gz MHLAJANAEKRSJX-UHFFFAOYSA-N 0 0 196.315 2.566 10 30 AFEERN CC1=C(F)C(=O)CCCCC1 100073643 573770864 /nfs/dbraw/zinc/77/08/64/573770864.db2.gz FZXDBSBDOONIDM-UHFFFAOYSA-N 0 0 156.200 2.763 10 30 AFEERN CCCOCCCCCS 87080473 573770909 /nfs/dbraw/zinc/77/09/09/573770909.db2.gz MRLZLRDDYKFZOA-UHFFFAOYSA-N 0 0 162.298 2.513 10 30 AFEERN CCC(C)(C)OCCCS 87080023 573770923 /nfs/dbraw/zinc/77/09/23/573770923.db2.gz VLBWGLWZJIEGIC-UHFFFAOYSA-N 0 0 162.298 2.512 10 30 AFEERN CC(C)C/C=C1/CCCC1=O 100084071 573770938 /nfs/dbraw/zinc/77/09/38/573770938.db2.gz SWDGUJRVKJUCNL-CLFYSBASSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H](CS)COC1CCCC1 87078983 573770972 /nfs/dbraw/zinc/77/09/72/573770972.db2.gz UMZOZMAEGOBWQQ-QMMMGPOBSA-N 0 0 174.309 2.512 10 30 AFEERN CC1(C)C[C@@]1(C#N)C1CCC1 258933641 573770991 /nfs/dbraw/zinc/77/09/91/573770991.db2.gz BDGOVLQEGNTUCR-SNVBAGLBSA-N 0 0 149.237 2.726 10 30 AFEERN C[C@H]1C[C@H](OCCS)CC[C@H]1C 87082308 573771017 /nfs/dbraw/zinc/77/10/17/573771017.db2.gz KDFNUCXAADPRNV-KXUCPTDWSA-N 0 0 188.336 2.758 10 30 AFEERN CC(C)C[C@]1(C)C[C@H]1C#N 258933778 573771020 /nfs/dbraw/zinc/77/10/20/573771020.db2.gz BEAQVFROTROADQ-DTWKUNHWSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@]1(C#N)C[C@@H]1C1CCCC1 258932748 573771025 /nfs/dbraw/zinc/77/10/25/573771025.db2.gz AZQGGLTVFZCAKW-NXEZZACHSA-N 0 0 149.237 2.726 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1C1CCCC1 258932751 573771052 /nfs/dbraw/zinc/77/10/52/573771052.db2.gz AZQGGLTVFZCAKW-ZJUUUORDSA-N 0 0 149.237 2.726 10 30 AFEERN CC[C@H](C)ON=C(C)c1ccoc1 308436356 573773264 /nfs/dbraw/zinc/77/32/64/573773264.db2.gz WSESCPYEWSMKMT-QMMMGPOBSA-N 0 0 181.235 2.819 10 30 AFEERN C=C1C[C@@H]2CCCC[C@]2(C)C1=O 238510850 573772465 /nfs/dbraw/zinc/77/24/65/573772465.db2.gz RLLZQCGBBFVKOM-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN O=C[C@@H]1CSc2ccc(Cl)cc21 258127000 573772552 /nfs/dbraw/zinc/77/25/52/573772552.db2.gz PLTVUSQFWCEBCI-ZCFIWIBFSA-N 0 0 198.674 2.728 10 30 AFEERN CCSC[C@H](CC)CS 87097231 573772560 /nfs/dbraw/zinc/77/25/60/573772560.db2.gz ISAPUCAQMIJLDU-SSDOTTSWSA-N 0 0 164.339 2.696 10 30 AFEERN CC=CC(=O)Cc1ccc(F)cc1C 308435461 573772577 /nfs/dbraw/zinc/77/25/77/573772577.db2.gz MUMAZRPXYBLGQN-ARJAWSKDSA-N 0 0 192.233 2.822 10 30 AFEERN N#Cc1cc(OC2CC2)ccc1Cl 238511151 573772594 /nfs/dbraw/zinc/77/25/94/573772594.db2.gz MVCQWXHYRRIHCL-UHFFFAOYSA-N 0 0 193.633 2.753 10 30 AFEERN CCC[C@H](CS)CSC 87098429 573772679 /nfs/dbraw/zinc/77/26/79/573772679.db2.gz GHKBFTAJFRZDBC-SSDOTTSWSA-N 0 0 164.339 2.696 10 30 AFEERN CC1=Cc2cccc(C)c2C1=O 238511124 573772725 /nfs/dbraw/zinc/77/27/25/573772725.db2.gz RXKDSKWIILJRQL-UHFFFAOYSA-N 0 0 158.200 2.595 10 30 AFEERN CCCSC[C@@H](C)CS 87097129 573772747 /nfs/dbraw/zinc/77/27/47/573772747.db2.gz LUSOQOUSXCMWJI-ZETCQYMHSA-N 0 0 164.339 2.696 10 30 AFEERN N#CCC(F)(F)C1CCCC1 258934885 573772880 /nfs/dbraw/zinc/77/28/80/573772880.db2.gz BJVFJESKRFPVON-UHFFFAOYSA-N 0 0 159.179 2.726 10 30 AFEERN C[C@]12CCCC[C@H]1CC=CC2=O 238511111 573772934 /nfs/dbraw/zinc/77/29/34/573772934.db2.gz GDWQLIUHRRPPDG-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN Fc1ccccc1SCCS 87096271 573772973 /nfs/dbraw/zinc/77/29/73/573772973.db2.gz GKZXILVBKIFKQB-UHFFFAOYSA-N 0 0 188.292 2.848 10 30 AFEERN C=C(C)C[C@@](C)(O)c1ccc(O)cc1 238099548 573772998 /nfs/dbraw/zinc/77/29/98/573772998.db2.gz IJWXOTIASAUJQD-GFCCVEGCSA-N 0 0 192.258 2.566 10 30 AFEERN CC[C@@H](C)ON=C(C)c1ccoc1 308436355 573773025 /nfs/dbraw/zinc/77/30/25/573773025.db2.gz WSESCPYEWSMKMT-MRVPVSSYSA-N 0 0 181.235 2.819 10 30 AFEERN CC(C)SCC1(CS)CC1 87097724 573773095 /nfs/dbraw/zinc/77/30/95/573773095.db2.gz OBWCDZSNFXLORP-UHFFFAOYSA-N 0 0 176.350 2.838 10 30 AFEERN C=C[C@]1(CC(=C)C)CCCC1=O 238100158 573773224 /nfs/dbraw/zinc/77/32/24/573773224.db2.gz BNGNOIVGJZVUGK-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CC(C)(C#N)c1ccc(O)cc1Cl 238100323 573774162 /nfs/dbraw/zinc/77/41/62/573774162.db2.gz VHKCWCUSXAAOOB-UHFFFAOYSA-N 0 0 195.649 2.847 10 30 AFEERN CC(C)(C#N)c1ccc(F)s1 238099433 573774183 /nfs/dbraw/zinc/77/41/83/573774183.db2.gz ZKLQFYWUJDDZNF-UHFFFAOYSA-N 0 0 169.224 2.688 10 30 AFEERN CSC[C@H](CS)C(C)C 87098412 573774284 /nfs/dbraw/zinc/77/42/84/573774284.db2.gz TZKABOUSQMXTOE-ZETCQYMHSA-N 0 0 164.339 2.551 10 30 AFEERN CCCc1ccc(NCS)cc1 258934146 573774447 /nfs/dbraw/zinc/77/44/47/573774447.db2.gz PFNMAXJSVLQUSJ-UHFFFAOYSA-N 0 0 181.304 2.938 10 30 AFEERN CCC[C@@H](CS)CSC 87098427 573774457 /nfs/dbraw/zinc/77/44/57/573774457.db2.gz GHKBFTAJFRZDBC-ZETCQYMHSA-N 0 0 164.339 2.696 10 30 AFEERN C=CCc1noc2ccccc12 238099985 573774546 /nfs/dbraw/zinc/77/45/46/573774546.db2.gz BAWDINFWIRNRGS-UHFFFAOYSA-N 0 0 159.188 2.556 10 30 AFEERN CSC[C@@H](CS)C(C)(C)C 87098418 573774574 /nfs/dbraw/zinc/77/45/74/573774574.db2.gz BOFXLWKLVQIKNC-SSDOTTSWSA-N 0 0 178.366 2.942 10 30 AFEERN CCCc1nccn1CCCCS 87093514 573774582 /nfs/dbraw/zinc/77/45/82/573774582.db2.gz MSGDDVGRAPRIQK-UHFFFAOYSA-N 0 0 198.335 2.546 10 30 AFEERN C[C@]12CCCC[C@H]1C(O)=C(C=O)CC2 238510678 573774613 /nfs/dbraw/zinc/77/46/13/573774613.db2.gz COAXMJSTRSKGHP-PQHJVFTLSA-N 0 0 194.274 2.988 10 30 AFEERN CCSCC(C)(C)CS 87097208 573774634 /nfs/dbraw/zinc/77/46/34/573774634.db2.gz KXXLKQOUMPFCAM-UHFFFAOYSA-N 0 0 164.339 2.696 10 30 AFEERN C=C(C)C[C@H](O)C1=C(C)C(C)(C)CO1 238101963 573774681 /nfs/dbraw/zinc/77/46/81/573774681.db2.gz GOZZEFFHULXXSV-JTQLQIEISA-N 0 0 196.290 2.644 10 30 AFEERN CCC[C@@H](CS)Cn1cc(C)cn1 87092638 573774720 /nfs/dbraw/zinc/77/47/20/573774720.db2.gz HUMFQHWPEASSMY-SNVBAGLBSA-N 0 0 198.335 2.538 10 30 AFEERN C=CC[C@H](C)[C@@H](O)Cc1ccsc1 715010566 573774828 /nfs/dbraw/zinc/77/48/28/573774828.db2.gz OTCGAXKBNHNHDZ-ONGXEEELSA-N 0 0 196.315 2.864 10 30 AFEERN CC=CC(=O)Cc1ccc(F)c(F)c1 308436135 573774878 /nfs/dbraw/zinc/77/48/78/573774878.db2.gz OTAPNGWNAVPVLZ-IHWYPQMZSA-N 0 0 196.196 2.653 10 30 AFEERN CC(C)CSCCCS 87096923 573774934 /nfs/dbraw/zinc/77/49/34/573774934.db2.gz NKOICHIDMBABTR-UHFFFAOYSA-N 0 0 164.339 2.696 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1cccc(F)c1 258935945 573776275 /nfs/dbraw/zinc/77/62/75/573776275.db2.gz BNOXCBUCRZTSBY-QWRGUYRKSA-N 0 0 175.206 2.843 10 30 AFEERN CC(C)CSC[C@H](C)CS 87096918 573776362 /nfs/dbraw/zinc/77/63/62/573776362.db2.gz UMRHVWGQMWFCIZ-MRVPVSSYSA-N 0 0 178.366 2.942 10 30 AFEERN CCSCC1(CS)CCC1 87097216 573776393 /nfs/dbraw/zinc/77/63/93/573776393.db2.gz FMICUSOVNFOCTO-UHFFFAOYSA-N 0 0 176.350 2.840 10 30 AFEERN CCCCSCCCS 87097610 573776441 /nfs/dbraw/zinc/77/64/41/573776441.db2.gz OVNOTQDOZDIFDE-UHFFFAOYSA-N 0 0 164.339 2.840 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1cccc(F)c1 258935942 573776473 /nfs/dbraw/zinc/77/64/73/573776473.db2.gz BNOXCBUCRZTSBY-MNOVXSKESA-N 0 0 175.206 2.843 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1cccc(F)c1 258935950 573776510 /nfs/dbraw/zinc/77/65/10/573776510.db2.gz BNOXCBUCRZTSBY-WDEREUQCSA-N 0 0 175.206 2.843 10 30 AFEERN CSC[C@H](CS)C(C)(C)C 87098416 573776668 /nfs/dbraw/zinc/77/66/68/573776668.db2.gz BOFXLWKLVQIKNC-ZETCQYMHSA-N 0 0 178.366 2.942 10 30 AFEERN CC(C)SC[C@@H](C)CS 87097717 573776677 /nfs/dbraw/zinc/77/66/77/573776677.db2.gz TXUHFUURDGCMDX-ZETCQYMHSA-N 0 0 164.339 2.694 10 30 AFEERN C=CC[C@H](C)[C@H](O)c1cccnc1C 715008410 573776697 /nfs/dbraw/zinc/77/66/97/573776697.db2.gz FDMBEBPQWYWIGX-CABZTGNLSA-N 0 0 191.274 2.636 10 30 AFEERN CCSC[C@@H](CC)CS 87097230 573776744 /nfs/dbraw/zinc/77/67/44/573776744.db2.gz ISAPUCAQMIJLDU-ZETCQYMHSA-N 0 0 164.339 2.696 10 30 AFEERN C=C(C)Cc1c(O)cc(C)c(O)c1C 238106196 573776819 /nfs/dbraw/zinc/77/68/19/573776819.db2.gz CRKPPIZEPHSUIU-UHFFFAOYSA-N 0 0 192.258 2.833 10 30 AFEERN CC(C)SC[C@H](C)CS 87097718 573776821 /nfs/dbraw/zinc/77/68/21/573776821.db2.gz TXUHFUURDGCMDX-SSDOTTSWSA-N 0 0 164.339 2.694 10 30 AFEERN CC(C)SC/C=C/CS 87097720 573776902 /nfs/dbraw/zinc/77/69/02/573776902.db2.gz DPQYCXMEPSNJBI-ONEGZZNKSA-N 0 0 162.323 2.614 10 30 AFEERN CCSC[C@@H](CS)C(C)C 87097221 573776931 /nfs/dbraw/zinc/77/69/31/573776931.db2.gz VLUNYYRIRWBJIR-MRVPVSSYSA-N 0 0 178.366 2.942 10 30 AFEERN C=C(C)Cc1cc(C)c(CO)c(C)c1 238106506 573776973 /nfs/dbraw/zinc/77/69/73/573776973.db2.gz JOJVGRPBCTWSHW-UHFFFAOYSA-N 0 0 190.286 2.914 10 30 AFEERN SCCSCC1CCCC1 87098730 573777024 /nfs/dbraw/zinc/77/70/24/573777024.db2.gz HFWUGSVVKYPGDV-UHFFFAOYSA-N 0 0 176.350 2.840 10 30 AFEERN SCCNc1ccc(Cl)s1 258940424 573778375 /nfs/dbraw/zinc/77/83/75/573778375.db2.gz SWNFBEAPGTVUOU-UHFFFAOYSA-N 0 0 193.724 2.743 10 30 AFEERN CC(C)C1=CC(C)(C)CC1=O 238107958 573778399 /nfs/dbraw/zinc/77/83/99/573778399.db2.gz CSKYOFFEPITHHM-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cc(F)c(O)c([C@H](C)CC=O)c1 258118647 573778456 /nfs/dbraw/zinc/77/84/56/573778456.db2.gz QJLJBYMNXSGZPV-MRVPVSSYSA-N 0 0 196.221 2.532 10 30 AFEERN Cc1cc(C(F)F)nc(C#N)c1C 238512989 573778494 /nfs/dbraw/zinc/77/84/94/573778494.db2.gz XZJNYTPAZXZLTH-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(C)=O)C2 238108915 573779113 /nfs/dbraw/zinc/77/91/13/573779113.db2.gz YYHUPKCPNBFESD-ZYHUDNBSSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@]1(CSc2cccc(F)c2)CO1 87112025 573778519 /nfs/dbraw/zinc/77/85/19/573778519.db2.gz AEUABZBHRJLJLF-JTQLQIEISA-N 0 0 198.262 2.707 10 30 AFEERN C=C1[C@@H]2CC[C@@](C(C)=O)(C2)C1(C)C 238108884 573778595 /nfs/dbraw/zinc/77/85/95/573778595.db2.gz KCQZJNIDDFRSHE-PWSUYJOCSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)Cc1cc(O)c(C)c(C)c1O 238106824 573778673 /nfs/dbraw/zinc/77/86/73/573778673.db2.gz YREQJQSJCSMVBT-UHFFFAOYSA-N 0 0 192.258 2.833 10 30 AFEERN C=C(C)Cc1cc(O)c(C)cc1O 238106855 573778775 /nfs/dbraw/zinc/77/87/75/573778775.db2.gz DENAWSZBJARZCF-UHFFFAOYSA-N 0 0 178.231 2.525 10 30 AFEERN N#CCc1ccc2ccc(O)cc2c1 108369903 573778971 /nfs/dbraw/zinc/77/89/71/573778971.db2.gz MBFVLFUIWLHFGF-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN Cc1ccc2cc(CS)[nH]c2c1 257875770 573778998 /nfs/dbraw/zinc/77/89/98/573778998.db2.gz JALQMZRNPYOTTD-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN Cc1cc(F)c(O)c([C@@H](C)CC=O)c1 258118650 573781206 /nfs/dbraw/zinc/78/12/06/573781206.db2.gz QJLJBYMNXSGZPV-QMMMGPOBSA-N 0 0 196.221 2.532 10 30 AFEERN C=CC[C@H](C)[C@@H](O)c1cccnc1C 715008412 573781481 /nfs/dbraw/zinc/78/14/81/573781481.db2.gz FDMBEBPQWYWIGX-JOYOIKCWSA-N 0 0 191.274 2.636 10 30 AFEERN C=C[C@@H]1C[C@H]1C(=O)C1CCCCC1 238110277 573781488 /nfs/dbraw/zinc/78/14/88/573781488.db2.gz XJNMAPSTMQHAAD-MWLCHTKSSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)(C)C(=O)C#CC1=CCCC1 238120274 573781534 /nfs/dbraw/zinc/78/15/34/573781534.db2.gz AZQZDQXJLWWLEV-UHFFFAOYSA-N 0 0 176.259 2.715 10 30 AFEERN CC(C)C1=C[C@@H](C)CCC1=O 238110583 573781545 /nfs/dbraw/zinc/78/15/45/573781545.db2.gz OGOPXWLXFIBOJU-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN N#CCCSc1cccc(F)c1 87111990 573781590 /nfs/dbraw/zinc/78/15/90/573781590.db2.gz XZPNVFUWJKQVPT-UHFFFAOYSA-N 0 0 181.235 2.831 10 30 AFEERN CC(=O)/C(=C/Cl)c1ccccc1 238112523 573781595 /nfs/dbraw/zinc/78/15/95/573781595.db2.gz DXRSBSSQGBNXSN-YFHOEESVSA-N 0 0 180.634 2.855 10 30 AFEERN CC(C)(CO)CCC#C[Si](C)(C)C 238112283 573781624 /nfs/dbraw/zinc/78/16/24/573781624.db2.gz GFYVGGIYBNUHDY-UHFFFAOYSA-N 0 0 198.382 2.666 10 30 AFEERN C=C(C)[C@@H](C(C)=O)c1ccco1 238110548 573781651 /nfs/dbraw/zinc/78/16/51/573781651.db2.gz XOLMLIKEWJANND-JTQLQIEISA-N 0 0 164.204 2.528 10 30 AFEERN CC(C)C1=C[C@H](C)CCC1=O 238111394 573781683 /nfs/dbraw/zinc/78/16/83/573781683.db2.gz OGOPXWLXFIBOJU-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@]1(CSc2cccc(F)c2)CO1 87112024 573781814 /nfs/dbraw/zinc/78/18/14/573781814.db2.gz AEUABZBHRJLJLF-SNVBAGLBSA-N 0 0 198.262 2.707 10 30 AFEERN CC(C)C1=CC[C@H](C)[C@H](C=O)C1 238109881 573781834 /nfs/dbraw/zinc/78/18/34/573781834.db2.gz GGJIEYUZCVGRFU-ONGXEEELSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)C1=CC[C@H](C)[C@@H](C=O)C1 238109849 573781860 /nfs/dbraw/zinc/78/18/60/573781860.db2.gz GGJIEYUZCVGRFU-GXSJLCMTSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@@H](C)[C@H](O)c1scnc1C 715011516 573783149 /nfs/dbraw/zinc/78/31/49/573783149.db2.gz ULXOACIDHDLKMT-APPZFPTMSA-N 0 0 197.303 2.697 10 30 AFEERN C=CC(=C)[C@@H]1C[C@@H](CC=O)C1(C)C 215407034 573783264 /nfs/dbraw/zinc/78/32/64/573783264.db2.gz IRHSNVFRZQZDOX-MNOVXSKESA-N 0 0 178.275 2.980 10 30 AFEERN C=C[C@@H]1C[C@@]2(C)CCC(=O)C[C@@]12C 238502889 573783473 /nfs/dbraw/zinc/78/34/73/573783473.db2.gz UBDMDALCXDHEOH-JLLWLGSASA-N 0 0 178.275 2.958 10 30 AFEERN CC(=O)C(=C(C)C)c1ccco1 238109803 573783514 /nfs/dbraw/zinc/78/35/14/573783514.db2.gz HEHICJPGHGNFMA-UHFFFAOYSA-N 0 0 164.204 2.662 10 30 AFEERN CC/C=C\C(=O)CCC[C@@H]1CCCO1 308432111 573783546 /nfs/dbraw/zinc/78/35/46/573783546.db2.gz GEILXNUKEUWCSH-GCLPIYDQSA-N 0 0 196.290 2.871 10 30 AFEERN Cc1ccc2c(c1)CC[C@@H]2CC#N 238503405 573783611 /nfs/dbraw/zinc/78/36/11/573783611.db2.gz ZGGZMPCVVBUJDJ-SNVBAGLBSA-N 0 0 171.243 2.939 10 30 AFEERN C=C(C)c1ccc(Cl)cn1 221884302 573783843 /nfs/dbraw/zinc/78/38/43/573783843.db2.gz TVUOMEYZUSCPLZ-UHFFFAOYSA-N 0 0 153.612 2.768 10 30 AFEERN CC(C)C1=CC[C@](C)(CC=O)C1 238110094 573783845 /nfs/dbraw/zinc/78/38/45/573783845.db2.gz YXERJQBCXUFGRX-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@]1(c2ccccc2)C[C@]1(Cl)C=O 238502570 573786294 /nfs/dbraw/zinc/78/62/94/573786294.db2.gz RZEJEMIVIJSIHF-QWRGUYRKSA-N 0 0 194.661 2.525 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)c1scnc1C 715011520 573786303 /nfs/dbraw/zinc/78/63/03/573786303.db2.gz ULXOACIDHDLKMT-VXNVDRBHSA-N 0 0 197.303 2.697 10 30 AFEERN C=CC[C@H](C)[C@@H](O)c1scnc1C 715011519 573786405 /nfs/dbraw/zinc/78/64/05/573786405.db2.gz ULXOACIDHDLKMT-IONNQARKSA-N 0 0 197.303 2.697 10 30 AFEERN C=CC(=C)[C@H]1C[C@H](CC=O)C1(C)C 215406993 573786442 /nfs/dbraw/zinc/78/64/42/573786442.db2.gz IRHSNVFRZQZDOX-WDEREUQCSA-N 0 0 178.275 2.980 10 30 AFEERN C/C=C\C(=O)c1ccc(OC)cc1F 308431103 573786572 /nfs/dbraw/zinc/78/65/72/573786572.db2.gz DBJBBFALQWREHE-ARJAWSKDSA-N 0 0 194.205 2.593 10 30 AFEERN FC(F)COCCCCCCS 131100972 573786596 /nfs/dbraw/zinc/78/65/96/573786596.db2.gz HICZDSGOTRIVQO-UHFFFAOYSA-N 0 0 198.278 2.758 10 30 AFEERN C=C[C@@H]1CCC[C@@H]2CCC(=O)[C@H]12 238113032 573786643 /nfs/dbraw/zinc/78/66/43/573786643.db2.gz MHEVBJUFVWCRAX-FXPVBKGRSA-N 0 0 164.248 2.568 10 30 AFEERN C=CC1=C([C@H](O)C(=C)C)CCCC1 238114935 573786789 /nfs/dbraw/zinc/78/67/89/573786789.db2.gz UIWAPVZMUCPBMI-GFCCVEGCSA-N 0 0 178.275 2.980 10 30 AFEERN CC(C)(F)[C@@H](CC#N)C1CC1 258514911 573792974 /nfs/dbraw/zinc/79/29/74/573792974.db2.gz LSHHSEPZWHRCBD-QMMMGPOBSA-N 0 0 155.216 2.674 10 30 AFEERN C=C(C)C[C@H]1CC[C@@H](C2CC2)C1=O 238104529 573792993 /nfs/dbraw/zinc/79/29/93/573792993.db2.gz AECRXFKHJWRXRP-MNOVXSKESA-N 0 0 178.275 2.958 10 30 AFEERN C#C[C@H](O)C=C(C(C)(C)C)C(C)(C)C 238119549 573792146 /nfs/dbraw/zinc/79/21/46/573792146.db2.gz UGJYFYJEUNLFAT-JTQLQIEISA-N 0 0 194.318 2.999 10 30 AFEERN CO[C@@H](C(=O)C=C(C)C)C(C)(C)C 132208104 573792167 /nfs/dbraw/zinc/79/21/67/573792167.db2.gz UJXFRIKHBZETBE-JTQLQIEISA-N 0 0 184.279 2.583 10 30 AFEERN C=C(C)C[C@@H]1C(=O)C[C@@H]2CCC[C@H]21 238104719 573792246 /nfs/dbraw/zinc/79/22/46/573792246.db2.gz PPZXOYWZTINPCL-AXFHLTTASA-N 0 0 178.275 2.958 10 30 AFEERN C#C[C@@H](O)C=C(C(C)(C)C)C(C)(C)C 238119572 573792326 /nfs/dbraw/zinc/79/23/26/573792326.db2.gz UGJYFYJEUNLFAT-SNVBAGLBSA-N 0 0 194.318 2.999 10 30 AFEERN C=C(C)C[C@H]1CCCC[C@@H]1C=O 238103717 573792477 /nfs/dbraw/zinc/79/24/77/573792477.db2.gz ZDODWNKSKVYDRM-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1c(N)cccc1C1(C#N)CCC1 238521480 573792640 /nfs/dbraw/zinc/79/26/40/573792640.db2.gz WYUCOUVWTIGICT-UHFFFAOYSA-N 0 0 186.258 2.523 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1ccc2[nH]cnc2c1 258949542 573792706 /nfs/dbraw/zinc/79/27/06/573792706.db2.gz DTJBHUFHYVZPPD-JOYOIKCWSA-N 0 0 197.241 2.580 10 30 AFEERN CC(C)CC[C@@]1(C)CC=CC1=O 238119981 573792776 /nfs/dbraw/zinc/79/27/76/573792776.db2.gz IFBQWCMPGBXKHX-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCCC[C@@]1(Cl)C(C)=O 238103071 573792814 /nfs/dbraw/zinc/79/28/14/573792814.db2.gz PYEYBPAJWDRUCZ-VIFPVBQESA-N 0 0 172.655 2.683 10 30 AFEERN C=C(C)C[C@H]1O[C@@H](O)c2ccccc21 238104097 573792867 /nfs/dbraw/zinc/79/28/67/573792867.db2.gz IVEBATFJXPOZRP-VXGBXAGGSA-N 0 0 190.242 2.715 10 30 AFEERN Cc1c(C#N)ccc2occc12 238520826 573792904 /nfs/dbraw/zinc/79/29/04/573792904.db2.gz WRGRADRMKZXDLF-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN C=C(C)C[C@H]1CCCCNC1=S 238103690 573792933 /nfs/dbraw/zinc/79/29/33/573792933.db2.gz ARGZMEZHTPNBEC-SECBINFHSA-N 0 0 183.320 2.670 10 30 AFEERN C=CC[C@@]1(C(C)=O)CCC=C1C 238102649 573792941 /nfs/dbraw/zinc/79/29/41/573792941.db2.gz RUXGFMDWUBDTIR-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)C[C@H]1CC[C@H](C2CC2)C1=O 238104559 573793462 /nfs/dbraw/zinc/79/34/62/573793462.db2.gz AECRXFKHJWRXRP-GHMZBOCLSA-N 0 0 178.275 2.958 10 30 AFEERN ON=C1CC[C@@H](Cc2ccccc2)C1 308441405 573793562 /nfs/dbraw/zinc/79/35/62/573793562.db2.gz XUCGNCCTQTZJQS-NSHDSACASA-N 0 0 189.258 2.859 10 30 AFEERN COC(C)(C)CC=NOC(C)(C)C 308441404 573793579 /nfs/dbraw/zinc/79/35/79/573793579.db2.gz YYUCBQIVMUWCBP-UHFFFAOYSA-N 0 0 187.283 2.602 10 30 AFEERN CCCNN=CC1CCCCCC1 308441534 573793612 /nfs/dbraw/zinc/79/36/12/573793612.db2.gz ZCFXMXBMTPBBLE-UHFFFAOYSA-N 0 0 182.311 2.942 10 30 AFEERN C=C1C[C@@H]2[C@H](C[C@@H]1OC(C)=O)C2(C)C 238102446 573793723 /nfs/dbraw/zinc/79/37/23/573793723.db2.gz JYKVXQRUJKEGDI-VWYCJHECSA-N 0 0 194.274 2.540 10 30 AFEERN C=C(C)C[C@H]1CCCC(=O)C1=C 238103565 573793925 /nfs/dbraw/zinc/79/39/25/573793925.db2.gz AUMZYZUHVMFYOF-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN Cc1sc2cc(C#N)ccc2c1N 306714097 573793940 /nfs/dbraw/zinc/79/39/40/573793940.db2.gz DNULFALCSGEUJP-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C/C=C(/CC)C(=O)CC1CCOCC1 308441730 573793960 /nfs/dbraw/zinc/79/39/60/573793960.db2.gz JKBCEURHJRGSLI-JYOAFUTRSA-N 0 0 196.290 2.729 10 30 AFEERN C/C=C(/CC)C(=O)CC[C@H]1CCCO1 308441829 573793967 /nfs/dbraw/zinc/79/39/67/573793967.db2.gz JWDMVQVSURQLCF-LBQOUHFTSA-N 0 0 196.290 2.871 10 30 AFEERN CC(C)(C)c1cc(N=[N+]=[N-])n[nH]1 238119908 573793971 /nfs/dbraw/zinc/79/39/71/573793971.db2.gz MFEBJGSRFKXCRP-UHFFFAOYSA-N 0 0 165.200 2.649 10 30 AFEERN CC(=O)C[C@@H]1CC[C@](C)(C=O)C1(C)C 238119398 573794006 /nfs/dbraw/zinc/79/40/06/573794006.db2.gz XCKTXGGPXASWOH-CMPLNLGQSA-N 0 0 196.290 2.607 10 30 AFEERN Cc1cccc([C@H]2SC=CC2=O)c1 238520411 573794063 /nfs/dbraw/zinc/79/40/63/573794063.db2.gz AXIWNOPRINFMHT-LLVKDONJSA-N 0 0 190.267 2.866 10 30 AFEERN COc1cccc([C@H](C)CC=O)c1F 258128847 573798938 /nfs/dbraw/zinc/79/89/38/573798938.db2.gz RJHXSNKSNNZPIO-MRVPVSSYSA-N 0 0 196.221 2.527 10 30 AFEERN C=C(CC)CC(=O)[C@H](OC)C(C)(C)C 132222130 573799042 /nfs/dbraw/zinc/79/90/42/573799042.db2.gz WLUOLOBQWMEDJV-NSHDSACASA-N 0 0 198.306 2.973 10 30 AFEERN Cc1ccc2c(C#N)coc2c1 238514661 573799222 /nfs/dbraw/zinc/79/92/22/573799222.db2.gz YVQQHCOCELDULG-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN CC(C)/C=C/[C@H](C)[C@H](O)[C@H](C)CC#N 308442834 573799260 /nfs/dbraw/zinc/79/92/60/573799260.db2.gz HNGNDOOTHDTHSO-ULUCOWRSSA-N 0 0 195.306 2.745 10 30 AFEERN C=C[C@](C)([C@H]1[NH2+]CCS1)C(C)(C)C 238105264 573799379 /nfs/dbraw/zinc/79/93/79/573799379.db2.gz CCJUIOANHZJGMI-GXSJLCMTSA-N 0 0 199.363 2.887 10 30 AFEERN CC1(C)CC/C(=N/O)c2ccccc21 108590987 573799519 /nfs/dbraw/zinc/79/95/19/573799519.db2.gz BGFOUGWGRFOSQN-QBFSEMIESA-N 0 0 189.258 2.936 10 30 AFEERN Cc1ccc2c(C#N)c(C)[nH]c2c1F 238514467 573799566 /nfs/dbraw/zinc/79/95/66/573799566.db2.gz OBMGQNINSNQSAT-UHFFFAOYSA-N 0 0 188.205 2.796 10 30 AFEERN C=C[C@](C)([C@@H]1[NH2+]CCS1)C(C)(C)C 238105235 573799758 /nfs/dbraw/zinc/79/97/58/573799758.db2.gz CCJUIOANHZJGMI-MWLCHTKSSA-N 0 0 199.363 2.887 10 30 AFEERN Cc1cc(C(F)F)nc(CC#N)c1C 238515364 573799893 /nfs/dbraw/zinc/79/98/93/573799893.db2.gz ZSRYFQWLCXFMRS-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CCC(CC)[C@@H](C#N)SC 87156018 573799986 /nfs/dbraw/zinc/79/99/86/573799986.db2.gz HFIIRISWEBMERO-MRVPVSSYSA-N 0 0 157.282 2.678 10 30 AFEERN CC1=C(C(C)C)C(=O)C[C@H]1C 238105734 573800007 /nfs/dbraw/zinc/80/00/07/573800007.db2.gz JVRDREKTIQXJNA-SSDOTTSWSA-N 0 0 152.237 2.568 10 30 AFEERN COc1cccc([C@@H](C)CC=O)c1F 258128851 573800088 /nfs/dbraw/zinc/80/00/88/573800088.db2.gz RJHXSNKSNNZPIO-QMMMGPOBSA-N 0 0 196.221 2.527 10 30 AFEERN CCCCNN=C(C)CCC1CC1 308442980 573800155 /nfs/dbraw/zinc/80/01/55/573800155.db2.gz ZUUZIMJXFXMMSO-UHFFFAOYSA-N 0 0 182.311 2.942 10 30 AFEERN CCCCCCCc1nnc(C)o1 308443488 573800162 /nfs/dbraw/zinc/80/01/62/573800162.db2.gz ABUAHHNJNXKVQH-UHFFFAOYSA-N 0 0 182.267 2.891 10 30 AFEERN CC1=C(C(C)C)C(=O)C[C@@H]1C 238105504 573800198 /nfs/dbraw/zinc/80/01/98/573800198.db2.gz JVRDREKTIQXJNA-ZETCQYMHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@]1(CC(=C)C)CCCC1=O 238105434 573800209 /nfs/dbraw/zinc/80/02/09/573800209.db2.gz BNGNOIVGJZVUGK-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN N#Cc1c(F)sc2ccc(O)cc12 306711741 573800354 /nfs/dbraw/zinc/80/03/54/573800354.db2.gz XZPZJSVOOACHTN-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN C[Si](C)(C)C#CCc1ccco1 238514750 573800358 /nfs/dbraw/zinc/80/03/58/573800358.db2.gz GGTVMBBLGZAZDQ-UHFFFAOYSA-N 0 0 178.307 2.703 10 30 AFEERN C=CCNc1ccc(F)cc1COC 308746951 573800405 /nfs/dbraw/zinc/80/04/05/573800405.db2.gz RSDQCFKQQVIVOJ-UHFFFAOYSA-N 0 0 195.237 2.570 10 30 AFEERN CC1=CC(=O)[C@@H](CCC(C)C)C1 238124891 573800436 /nfs/dbraw/zinc/80/04/36/573800436.db2.gz WAOFUXLQHKFDGA-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(C(F)F)nc(C)c1C#N 238514204 573800810 /nfs/dbraw/zinc/80/08/10/573800810.db2.gz AKYNWRHLRXREGM-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN Cc1cc(C2(C#N)CC2)cc(C)c1O 238515161 573800814 /nfs/dbraw/zinc/80/08/14/573800814.db2.gz FZKJILBOCWSAKD-UHFFFAOYSA-N 0 0 187.242 2.564 10 30 AFEERN C=C(C)[C@@H]1CC[C@@](C)(Cl)[C@@H](O)C1 238124666 573800819 /nfs/dbraw/zinc/80/08/19/573800819.db2.gz QUQBGXSGPVDGSW-KXUCPTDWSA-N 0 0 188.698 2.721 10 30 AFEERN C=C[C@@H]1C(=O)CC[C@@H]2CCCC[C@@H]21 238128860 573800851 /nfs/dbraw/zinc/80/08/51/573800851.db2.gz PTKKNVOAGXEWAK-DCAQKATOSA-N 0 0 178.275 2.958 10 30 AFEERN O=CCCc1ccccc1CC(F)F 258130876 573800858 /nfs/dbraw/zinc/80/08/58/573800858.db2.gz RKIXWUXBEFPZJG-UHFFFAOYSA-N 0 0 198.212 2.626 10 30 AFEERN Cc1cc(C(F)F)nc(C)c1CC#N 238514361 573800903 /nfs/dbraw/zinc/80/09/03/573800903.db2.gz XBXOWNFDJDNQDS-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CC1=C(C(C)C)C(=O)CC1(C)C 238105173 573800924 /nfs/dbraw/zinc/80/09/24/573800924.db2.gz HBNDHPVDHBMRND-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H]1CC2(CCCCC2)C1=O 238125915 573800951 /nfs/dbraw/zinc/80/09/51/573800951.db2.gz QDJNYZBORDZPKX-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@H]1CCC[C@@H]2CCC(=O)[C@H]12 238126082 573800990 /nfs/dbraw/zinc/80/09/90/573800990.db2.gz MHEVBJUFVWCRAX-IQJOONFLSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)=C1C[C@@]2(C)CC[C@@H]2C1=O 238128919 573801004 /nfs/dbraw/zinc/80/10/04/573801004.db2.gz KRLKIDNYLQMCOT-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1C[C@@H]2CCC(=O)[C@@H](C)[C@@H]2C1 238515049 573801088 /nfs/dbraw/zinc/80/10/88/573801088.db2.gz YNCUBLHFDOJXNW-GUBZILKMSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)=C1C(=O)C[C@@H]1C(C)(C)C 238125530 573801154 /nfs/dbraw/zinc/80/11/54/573801154.db2.gz KWYITCXPSBNUHE-QMMMGPOBSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)C1CC(C2CC2)C1 715012293 573801182 /nfs/dbraw/zinc/80/11/82/573801182.db2.gz YYJKKLVWKOXMHH-SARFZWSYSA-N 0 0 194.318 2.996 10 30 AFEERN C[C@]12CCC[C@@H]1C(=O)C1=C2CCC1 238514353 573801214 /nfs/dbraw/zinc/80/12/14/573801214.db2.gz AQRSUSVBZLXEHX-ZYHUDNBSSA-N 0 0 176.259 2.856 10 30 AFEERN CC[C@H](C#N)NCC1(CC(C)C)CC1 308746471 573801242 /nfs/dbraw/zinc/80/12/42/573801242.db2.gz RIMUGCSMFKAJMF-LLVKDONJSA-N 0 0 194.322 2.704 10 30 AFEERN C=C(C)CC(=O)[C@@H](OC)C(C)(C)C 132234451 573801300 /nfs/dbraw/zinc/80/13/00/573801300.db2.gz RFUBMPGJVVKYOD-SNVBAGLBSA-N 0 0 184.279 2.583 10 30 AFEERN C=CCCC(=O)[C@@H](OCC)C(C)(C)C 132240822 573801436 /nfs/dbraw/zinc/80/14/36/573801436.db2.gz QQYOBZHCIBBHGH-LLVKDONJSA-N 0 0 198.306 2.973 10 30 AFEERN C=CCCCC(=O)[C@@H](OC)C(C)(C)C 132227782 573801542 /nfs/dbraw/zinc/80/15/42/573801542.db2.gz ONRPOZKUJTYGNP-LLVKDONJSA-N 0 0 198.306 2.973 10 30 AFEERN CC(C)/C=C\[C@H](C)[C@H](O)[C@H](C)CC#N 308442833 573802810 /nfs/dbraw/zinc/80/28/10/573802810.db2.gz HNGNDOOTHDTHSO-AKVLOFAVSA-N 0 0 195.306 2.745 10 30 AFEERN C=C(C)CC(=O)[C@H](OC)C(C)(C)C 132234309 573802844 /nfs/dbraw/zinc/80/28/44/573802844.db2.gz RFUBMPGJVVKYOD-JTQLQIEISA-N 0 0 184.279 2.583 10 30 AFEERN CC(C)=C1CCC(C=O)CC1 238120585 573802169 /nfs/dbraw/zinc/80/21/69/573802169.db2.gz JUVSOTTUVXCUHO-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC1(C)C=Cc2cc(CC#N)ccc2O1 214981023 573802257 /nfs/dbraw/zinc/80/22/57/573802257.db2.gz QNCHWYZZPKQREU-UHFFFAOYSA-N 0 0 199.253 2.937 10 30 AFEERN C=C(C)[C@@H]1CCC(=O)CC1(C)C 238121024 573802579 /nfs/dbraw/zinc/80/25/79/573802579.db2.gz IKZUPXAUUNMWSW-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@@H]1C[C@@H]1C(=O)C(C)(C)C 238128567 573802792 /nfs/dbraw/zinc/80/27/92/573802792.db2.gz IEMQHTRDUVAQJC-IUCAKERBSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@H]1C(=O)C=C[C@H]2CCCC[C@H]21 238515862 573802933 /nfs/dbraw/zinc/80/29/33/573802933.db2.gz KONVCKWYUYLTDD-AEJSXWLSSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(C2(C#N)CCC2)ccc1N 238515633 573802971 /nfs/dbraw/zinc/80/29/71/573802971.db2.gz XKECXCUHENZMEH-UHFFFAOYSA-N 0 0 186.258 2.523 10 30 AFEERN Cc1ccc([C@@H]2C[C@H]2C#N)c(C)c1 259192339 573802986 /nfs/dbraw/zinc/80/29/86/573802986.db2.gz PTPWHJYYIPRLPX-CMPLNLGQSA-N 0 0 171.243 2.931 10 30 AFEERN CC(C)CC(=O)CCCCC#N 238120488 573803098 /nfs/dbraw/zinc/80/30/98/573803098.db2.gz IMADGMCIEQKJSQ-UHFFFAOYSA-N 0 0 167.252 2.686 10 30 AFEERN C=C(C)[C@@H]1C[C@@H](C(=C)C)CC1=O 238128277 573803160 /nfs/dbraw/zinc/80/31/60/573803160.db2.gz HMLFHLREGUXYEW-ZJUUUORDSA-N 0 0 164.248 2.734 10 30 AFEERN Cc1cnc(CC#N)c(C(F)F)c1C 238516177 573803218 /nfs/dbraw/zinc/80/32/18/573803218.db2.gz GWIZPZBQZAZVQK-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN C=C[C@H]1C[C@H]2CCCC(=O)[C@@H]2C1 238127781 573803232 /nfs/dbraw/zinc/80/32/32/573803232.db2.gz RSPARVOVRPCCNI-IVZWLZJFSA-N 0 0 164.248 2.568 10 30 AFEERN C=CCCC(=O)[C@H](OCC)C(C)(C)C 132240603 573803250 /nfs/dbraw/zinc/80/32/50/573803250.db2.gz QQYOBZHCIBBHGH-NSHDSACASA-N 0 0 198.306 2.973 10 30 AFEERN C/C=C\CN(C)c1ccc(C#N)cc1 213189027 573803307 /nfs/dbraw/zinc/80/33/07/573803307.db2.gz KLBVNKAUFTZDEH-ARJAWSKDSA-N 0 0 186.258 2.571 10 30 AFEERN C[C@@H]1C(=O)C=C[C@@H]2CCCC[C@@H]12 238516058 573803349 /nfs/dbraw/zinc/80/33/49/573803349.db2.gz KONVCKWYUYLTDD-GUBZILKMSA-N 0 0 164.248 2.568 10 30 AFEERN C#C[C@H](O)C1=C(C=C(C)C)CCCC1 238139769 573803356 /nfs/dbraw/zinc/80/33/56/573803356.db2.gz HHFSRDTVQHIOLF-ZDUSSCGKSA-N 0 0 190.286 2.817 10 30 AFEERN N#CCc1sc(Cl)nc1Cl 238516788 573803723 /nfs/dbraw/zinc/80/37/23/573803723.db2.gz KBUSSXMIVHWXHJ-UHFFFAOYSA-N 0 0 193.058 2.516 10 30 AFEERN C[C@]12CCC[C@@]3(CC1)CC(=O)C=C23 238516465 573802916 /nfs/dbraw/zinc/80/29/16/573802916.db2.gz ZHCCTAZYASIDDA-NWDGAFQWSA-N 0 0 176.259 2.856 10 30 AFEERN C#Cc1ccc2cccc(C)c2n1 209747832 573806724 /nfs/dbraw/zinc/80/67/24/573806724.db2.gz HMMAPTIMVLXFAM-UHFFFAOYSA-N 0 0 167.211 2.525 10 30 AFEERN C=C(C)[C@@H]1CNc2ccccc21 238127854 573806775 /nfs/dbraw/zinc/80/67/75/573806775.db2.gz JCSBOYGSZNEVOK-JTQLQIEISA-N 0 0 159.232 2.772 10 30 AFEERN CC(=O)C1=CC(=C(C)C)CC1 238120417 573805929 /nfs/dbraw/zinc/80/59/29/573805929.db2.gz FQBHUGLGYALWHW-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=C[C@H](C)[C@H](O)[C@H](C)c1ccccc1 308439504 573805933 /nfs/dbraw/zinc/80/59/33/573805933.db2.gz BSJRSXADIKBHSG-LOWVWBTDSA-N 0 0 190.286 2.973 10 30 AFEERN COc1cc(F)cc([C@@H](C)CC=O)c1 258133618 573805976 /nfs/dbraw/zinc/80/59/76/573805976.db2.gz RPGQVMZJMHGFCL-QMMMGPOBSA-N 0 0 196.221 2.527 10 30 AFEERN C=C(C)[C@@H]1C[C@H]2C(=O)CCC[C@@H]12 238128756 573805995 /nfs/dbraw/zinc/80/59/95/573805995.db2.gz GSTWNIUVYCVLRM-LPEHRKFASA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(C2(C#N)CCC2)ccc1O 238515664 573806138 /nfs/dbraw/zinc/80/61/38/573806138.db2.gz SBBKUEWNKOGTKY-UHFFFAOYSA-N 0 0 187.242 2.646 10 30 AFEERN N#CC1(CNc2cccs2)CCC1 258957628 573806354 /nfs/dbraw/zinc/80/63/54/573806354.db2.gz RKAYFEDSAXQVSA-UHFFFAOYSA-N 0 0 192.287 2.854 10 30 AFEERN Cc1[nH]c2ccccc2c1NCCC#N 258957832 573806359 /nfs/dbraw/zinc/80/63/59/573806359.db2.gz SLJJDPPTGQOMPG-UHFFFAOYSA-N 0 0 199.257 2.802 10 30 AFEERN C[C@]1(c2ccc3ncoc3c2)C[C@H]1C#N 258957007 573806373 /nfs/dbraw/zinc/80/63/73/573806373.db2.gz GBJIMQAYICQIHT-JOYOIKCWSA-N 0 0 198.225 2.629 10 30 AFEERN C=C[C@H](CC=O)CC(C)(C)C=C 238127589 573806563 /nfs/dbraw/zinc/80/65/63/573806563.db2.gz OXUOLFDLBCKISW-SNVBAGLBSA-N 0 0 166.264 2.980 10 30 AFEERN C=C1[C@H](CC(C)=O)C12CCCC2 238127511 573806572 /nfs/dbraw/zinc/80/65/72/573806572.db2.gz XVVYVFSZRVAXKW-JTQLQIEISA-N 0 0 164.248 2.712 10 30 AFEERN SCCc1nc(C2CCC2)cs1 259196836 573806608 /nfs/dbraw/zinc/80/66/08/573806608.db2.gz KUBNBEYRLXFENI-UHFFFAOYSA-N 0 0 199.344 2.883 10 30 AFEERN C=C[C@H](O)/C=C/c1ccc(C)cc1 238529097 573810196 /nfs/dbraw/zinc/81/01/96/573810196.db2.gz FHJGUAWGEPOEIS-BCPZQOPPSA-N 0 0 174.243 2.555 10 30 AFEERN Cc1cc(F)cc2c1CC[C@H]2C#N 238530192 573810213 /nfs/dbraw/zinc/81/02/13/573810213.db2.gz CGGANRVBMZCIIO-QMMMGPOBSA-N 0 0 175.206 2.688 10 30 AFEERN Cc1cc(F)cc2c1CC[C@@H]2C#N 238529968 573809335 /nfs/dbraw/zinc/80/93/35/573809335.db2.gz CGGANRVBMZCIIO-MRVPVSSYSA-N 0 0 175.206 2.688 10 30 AFEERN C=CCCC[C@H](O)c1ncccc1F 131262279 573809363 /nfs/dbraw/zinc/80/93/63/573809363.db2.gz ARVAUXCJNHRTEC-JTQLQIEISA-N 0 0 195.237 2.610 10 30 AFEERN C=C[C@@H]1C(=O)CC[C@H]2CCCC[C@H]12 238128827 573809374 /nfs/dbraw/zinc/80/93/74/573809374.db2.gz PTKKNVOAGXEWAK-VWYCJHECSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cccc(N)c1C(C)(C)S 238529168 573809403 /nfs/dbraw/zinc/80/94/03/573809403.db2.gz YVWOWHUHNKOBOO-UHFFFAOYSA-N 0 0 181.304 2.742 10 30 AFEERN C=C(C)[C@@H]1CCC(=O)[C@H]2CCC[C@@H]21 238121647 573809495 /nfs/dbraw/zinc/80/94/95/573809495.db2.gz GRFVJVRKXIZBLO-AXFHLTTASA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@H]1C[C@H]1C(=O)C1CCCC1 238123443 573809796 /nfs/dbraw/zinc/80/97/96/573809796.db2.gz NRNDBVOKRNDXMD-WCBMZHEXSA-N 0 0 164.248 2.568 10 30 AFEERN COc1cc(C)cc([C@@H](C)CC=O)c1 258138449 573809849 /nfs/dbraw/zinc/80/98/49/573809849.db2.gz SCLNNHLZVVPOOT-JTQLQIEISA-N 0 0 192.258 2.696 10 30 AFEERN C=C[C@H]1C[C@@H]1C(=O)C1CCCC1 238122623 573809916 /nfs/dbraw/zinc/80/99/16/573809916.db2.gz NRNDBVOKRNDXMD-WPRPVWTQSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@H]1C[C@]1(C#N)CC(C)(C)C 259622105 573809917 /nfs/dbraw/zinc/80/99/17/573809917.db2.gz NODNVIPGMBJENJ-WCBMZHEXSA-N 0 0 151.253 2.972 10 30 AFEERN C=C[C@H]1CCCCC(=O)CC1 238121251 573809949 /nfs/dbraw/zinc/80/99/49/573809949.db2.gz QKZZZNXTOSCSMQ-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C#C[C@@H](O)/C(C)=C/[C@@H](C)C[C@H](C)CC 308443695 573809989 /nfs/dbraw/zinc/80/99/89/573809989.db2.gz ISSDUAOIYFHSPX-ROHRRLTFSA-N 0 0 194.318 2.999 10 30 AFEERN C=CCCc1c(C)cccc1N 238529306 573810122 /nfs/dbraw/zinc/81/01/22/573810122.db2.gz HQTKCMQRNJDAOU-UHFFFAOYSA-N 0 0 161.248 2.696 10 30 AFEERN CCCCCCCCOCCCO 108807448 573810166 /nfs/dbraw/zinc/81/01/66/573810166.db2.gz HACCYFNGBDGFND-UHFFFAOYSA-N 0 0 188.311 2.746 10 30 AFEERN C=C(C)[C@@H]1CCC[C@@H]1C(C)=O 238123560 573812470 /nfs/dbraw/zinc/81/24/70/573812470.db2.gz VMQWZLZCHDKQPP-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C(=O)[C@@H](OCC)C(C)(C)C 132260648 573812520 /nfs/dbraw/zinc/81/25/20/573812520.db2.gz RWQUAVWPMGQNPI-SNVBAGLBSA-N 0 0 184.279 2.583 10 30 AFEERN C[C@H]1C[C@@]1(C#N)CC(C)(C)C 259622110 573811675 /nfs/dbraw/zinc/81/16/75/573811675.db2.gz NODNVIPGMBJENJ-WPRPVWTQSA-N 0 0 151.253 2.972 10 30 AFEERN CCC(CC)C[C@H](C)C=O 87174526 573811830 /nfs/dbraw/zinc/81/18/30/573811830.db2.gz XLRQQPVYNKKZNV-QMMMGPOBSA-N 0 0 142.242 2.648 10 30 AFEERN C=C(C)CC(=O)[C@H](OCC)C(C)(C)C 132265789 573811855 /nfs/dbraw/zinc/81/18/55/573811855.db2.gz FBAUSUJLAYUMAI-NSHDSACASA-N 0 0 198.306 2.973 10 30 AFEERN C=C(CO)c1ccc(C(C)(C)C)cc1 238121159 573811864 /nfs/dbraw/zinc/81/18/64/573811864.db2.gz QFFOCEODJAAXEF-UHFFFAOYSA-N 0 0 190.286 2.990 10 30 AFEERN C=C(C)[C@@H]1CCCCC(=O)C1 238123122 573811888 /nfs/dbraw/zinc/81/18/88/573811888.db2.gz SUFVUBSIGZGBFF-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)[C@@H](C#N)C(=O)CC1CCCC1 41045727 573811952 /nfs/dbraw/zinc/81/19/52/573811952.db2.gz NEADBNHTUUAWCY-LLVKDONJSA-N 0 0 193.290 2.932 10 30 AFEERN CC(C)[C@H](C#N)[C@@H](N)c1cccs1 259200712 573812056 /nfs/dbraw/zinc/81/20/56/573812056.db2.gz DLCAPNNODGRHKM-WCBMZHEXSA-N 0 0 194.303 2.544 10 30 AFEERN N#CCc1c(Cl)[nH]c2ccccc12 238529626 573812076 /nfs/dbraw/zinc/81/20/76/573812076.db2.gz OVWALVLDBZGKJO-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN Oc1cccc2oc(CS)cc12 258140083 573812229 /nfs/dbraw/zinc/81/22/29/573812229.db2.gz VTONFOIFUDSFTK-UHFFFAOYSA-N 0 0 180.228 2.568 10 30 AFEERN N#C[C@@H]1CCCCCC1(F)F 259622044 573812305 /nfs/dbraw/zinc/81/23/05/573812305.db2.gz GFVVNEHJWYDCOW-ZETCQYMHSA-N 0 0 159.179 2.726 10 30 AFEERN COc1ccc([C@@H]2C[C@@H]2C#N)cc1C 259199398 573812363 /nfs/dbraw/zinc/81/23/63/573812363.db2.gz QBVBKSIKWJMGST-MNOVXSKESA-N 0 0 187.242 2.631 10 30 AFEERN C=CC[C@H](C)[C@H](CO)C(C)(C)C 715012137 573812381 /nfs/dbraw/zinc/81/23/81/573812381.db2.gz XOVBPNXXPSQYDG-UWVGGRQHSA-N 0 0 170.296 2.853 10 30 AFEERN C=CC(C=C)C(=O)C(C)(C)C 238120996 573812385 /nfs/dbraw/zinc/81/23/85/573812385.db2.gz DRJIOAPFFCYBPT-UHFFFAOYSA-N 0 0 152.237 2.590 10 30 AFEERN CC(C)[C@@H](C#N)[C@@H](N)c1cccs1 259200703 573812386 /nfs/dbraw/zinc/81/23/86/573812386.db2.gz DLCAPNNODGRHKM-PSASIEDQSA-N 0 0 194.303 2.544 10 30 AFEERN C=Cc1ccc([C@@H]2C[C@H]2C=O)cc1 238135042 573819532 /nfs/dbraw/zinc/81/95/32/573819532.db2.gz GSBGSGWSYOAOLT-RYUDHWBXSA-N 0 0 172.227 2.632 10 30 AFEERN CC12[C@H]3CC(C[C@H]31)[C@@]2(C)CCC=O 100774878 573819573 /nfs/dbraw/zinc/81/95/73/573819573.db2.gz GBXFUOBZYUTFOP-QNHXCVIDSA-N 0 0 178.275 2.648 10 30 endogenous,in-man AFEERN CC(C)=CC1=C(C)C(=O)CC1 238139390 573819613 /nfs/dbraw/zinc/81/96/13/573819613.db2.gz POALUBBBQPAWIH-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=CC1=C2C(=O)CC(C)=C2CCC1 222704825 573818991 /nfs/dbraw/zinc/81/89/91/573818991.db2.gz FQDSEPFRNBCPHT-UHFFFAOYSA-N 0 0 174.243 2.942 10 30 AFEERN C=Cc1ccc([C@H]2C[C@H]2C=O)cc1 238135413 573819274 /nfs/dbraw/zinc/81/92/74/573819274.db2.gz GSBGSGWSYOAOLT-NWDGAFQWSA-N 0 0 172.227 2.632 10 30 AFEERN Cc1cc2oc(C)cc2c(CC#N)n1 238523263 573819299 /nfs/dbraw/zinc/81/92/99/573819299.db2.gz MBJZAYNLPWWNBT-UHFFFAOYSA-N 0 0 186.214 2.511 10 30 AFEERN C[C@@H](CC=O)c1cccc2cnoc12 258148068 573819339 /nfs/dbraw/zinc/81/93/39/573819339.db2.gz TXXRVSKYZNFUDH-QMMMGPOBSA-N 0 0 189.214 2.520 10 30 AFEERN C=C(C)[C@H](C(C)=O)c1ccco1 238137166 573819490 /nfs/dbraw/zinc/81/94/90/573819490.db2.gz XOLMLIKEWJANND-SNVBAGLBSA-N 0 0 164.204 2.528 10 30 AFEERN CC(C)=CC(=O)C[C@H]1C=CCC1 238134848 573821409 /nfs/dbraw/zinc/82/14/09/573821409.db2.gz HFPLIPWDNAPEIH-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C[C@H](CC=O)c1cccc2cnoc12 258148066 573820679 /nfs/dbraw/zinc/82/06/79/573820679.db2.gz TXXRVSKYZNFUDH-MRVPVSSYSA-N 0 0 189.214 2.520 10 30 AFEERN CC(C)[C@H](C#N)C[N@H+](C)CC(C)(C)C 258963188 573820783 /nfs/dbraw/zinc/82/07/83/573820783.db2.gz KMXGGQPGISIDOP-LLVKDONJSA-N 0 0 196.338 2.760 10 30 AFEERN Cc1cc2occc2cc1C#N 238523964 573820837 /nfs/dbraw/zinc/82/08/37/573820837.db2.gz OYELVSRIGQHYHW-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN CC(C)[C@@H](C#N)C[N@H+](C)CC(C)(C)C 258963192 573820853 /nfs/dbraw/zinc/82/08/53/573820853.db2.gz KMXGGQPGISIDOP-NSHDSACASA-N 0 0 196.338 2.760 10 30 AFEERN N#CC1(Cc2ccc(O)cc2)CCC1 87184602 573820906 /nfs/dbraw/zinc/82/09/06/573820906.db2.gz ROHMNJJAGBUJAE-UHFFFAOYSA-N 0 0 187.242 2.629 10 30 AFEERN C=C[C@H](C[Si](C)(C)C)C(C)=O 238136837 573821080 /nfs/dbraw/zinc/82/10/80/573821080.db2.gz BEGGTFYDVLJHIY-SECBINFHSA-N 0 0 170.328 2.716 10 30 AFEERN C[C@H](F)c1cc(CCC=O)ccc1O 258145485 573821136 /nfs/dbraw/zinc/82/11/36/573821136.db2.gz SYICNJMMUUCUST-QMMMGPOBSA-N 0 0 196.221 2.554 10 30 AFEERN CC(C)CCC1=C(O)CCC1=O 238138033 573821206 /nfs/dbraw/zinc/82/12/06/573821206.db2.gz PICJHHIJDAMEAV-UHFFFAOYSA-N 0 0 168.236 2.598 10 30 AFEERN C[C@@H](CC=O)c1ccc(CCF)cc1 258147794 573821311 /nfs/dbraw/zinc/82/13/11/573821311.db2.gz TURPBFHBSQDYEK-JTQLQIEISA-N 0 0 194.249 2.891 10 30 AFEERN Cc1cc2c(cc1C#N)CC(=O)S2 306940412 573821334 /nfs/dbraw/zinc/82/13/34/573821334.db2.gz PEIRDTFAWXHJGZ-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=Cc1ccc([C@@H]2C[C@@H]2C=O)cc1 238135016 573821338 /nfs/dbraw/zinc/82/13/38/573821338.db2.gz GSBGSGWSYOAOLT-NEPJUHHUSA-N 0 0 172.227 2.632 10 30 AFEERN CCC(CC)[C@H](C#N)N(CC)CC 41049894 573822477 /nfs/dbraw/zinc/82/24/77/573822477.db2.gz RVFQVZRSLITOOC-NSHDSACASA-N 0 0 182.311 2.657 10 30 AFEERN CCC(CC)[C@H](C#N)N1CCCCC1 41049898 573822530 /nfs/dbraw/zinc/82/25/30/573822530.db2.gz YCFUOAYTBIFTGS-LBPRGKRZSA-N 0 0 194.322 2.801 10 30 AFEERN C#C[C@@H](O)C1=C(C=C(C)C)CCCC1 238139860 573822601 /nfs/dbraw/zinc/82/26/01/573822601.db2.gz HHFSRDTVQHIOLF-CYBMUJFWSA-N 0 0 190.286 2.817 10 30 AFEERN Cc1cccc(Cl)c1CCC=O 238524182 573822611 /nfs/dbraw/zinc/82/26/11/573822611.db2.gz XIRKTCHWDXFALO-UHFFFAOYSA-N 0 0 182.650 2.780 10 30 AFEERN CCC(CC)[C@@H](C#N)N(CC)CC 41049893 573822616 /nfs/dbraw/zinc/82/26/16/573822616.db2.gz RVFQVZRSLITOOC-LLVKDONJSA-N 0 0 182.311 2.657 10 30 AFEERN CC(C)=C1C[C@]2(C)CC[C@@H]2C1=O 238129209 573822906 /nfs/dbraw/zinc/82/29/06/573822906.db2.gz KRLKIDNYLQMCOT-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)=C1C[C@@]2(CC2(C)C)C1=O 238128995 573823089 /nfs/dbraw/zinc/82/30/89/573823089.db2.gz ITKGFUOYWJITNA-LLVKDONJSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@]12CCC[C@H]1CCC(=O)C2 238130089 573823109 /nfs/dbraw/zinc/82/31/09/573823109.db2.gz MNIAVQSUQGFXFI-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cc(C#N)c2c([O-])csc2c1 306931036 573823139 /nfs/dbraw/zinc/82/31/39/573823139.db2.gz CBWHEBWYLGYSOE-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN CC(C)C[C@@H](CC=O)[C@@H](C)F 258431527 573825101 /nfs/dbraw/zinc/82/51/01/573825101.db2.gz CZKPLNXSIUZLAQ-RKDXNWHRSA-N 0 0 160.232 2.596 10 30 AFEERN CCCC[C@@H](C#N)N1CCCCCC1 41053504 573825111 /nfs/dbraw/zinc/82/51/11/573825111.db2.gz HPECYOKPPVSGJZ-LBPRGKRZSA-N 0 0 194.322 2.945 10 30 AFEERN CC(C)=C1C[C@]2(C)CC[C@H]2C1=O 238129238 573824517 /nfs/dbraw/zinc/82/45/17/573824517.db2.gz KRLKIDNYLQMCOT-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCc1cc(C(C)=O)cc(C)c1O 238131057 573824602 /nfs/dbraw/zinc/82/46/02/573824602.db2.gz BBPXCCNPYUHYME-UHFFFAOYSA-N 0 0 190.242 2.632 10 30 AFEERN CC(C)=C=C(C)C(C)(C)C=O 238131125 573824643 /nfs/dbraw/zinc/82/46/43/573824643.db2.gz BFZAOZFXDBZSIE-UHFFFAOYSA-N 0 0 152.237 2.723 10 30 AFEERN CC(C)(C)C1CCC2(CC1)O[C@H]2C=O 238140239 573824702 /nfs/dbraw/zinc/82/47/02/573824702.db2.gz HBOKZQLISOBOQK-YZRBJQDESA-N 0 0 196.290 2.559 10 30 AFEERN C[C@]12CC[C@H]1CC(=O)C1=C2CCC1 238526458 573824726 /nfs/dbraw/zinc/82/47/26/573824726.db2.gz ZPBNQAGZZSKGFM-UFBFGSQYSA-N 0 0 176.259 2.856 10 30 AFEERN CC[C@@H]1CCC[C@H](C=O)CC1 84324993 573824730 /nfs/dbraw/zinc/82/47/30/573824730.db2.gz CZDMZUHUJDXAHU-ZJUUUORDSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@@]1(c2ccccc2)C[C@H]1C=O 257884902 573824731 /nfs/dbraw/zinc/82/47/31/573824731.db2.gz MMLVHGDCSXZRAK-RYUDHWBXSA-N 0 0 174.243 2.553 10 30 AFEERN CCCC[C@@H](C#N)N1CCCCC1 41053500 573824813 /nfs/dbraw/zinc/82/48/13/573824813.db2.gz ZZEUIZSEPAJSIX-NSHDSACASA-N 0 0 180.295 2.555 10 30 AFEERN CC(C)Oc1ccc([C@@H](C)C=O)cc1 84324931 573824844 /nfs/dbraw/zinc/82/48/44/573824844.db2.gz KKMHDGSLZHBQNL-JTQLQIEISA-N 0 0 192.258 2.776 10 30 AFEERN CC(=O)C[C@H]1CC[C@](C)(C=O)C1(C)C 238130363 573824876 /nfs/dbraw/zinc/82/48/76/573824876.db2.gz XCKTXGGPXASWOH-ZYHUDNBSSA-N 0 0 196.290 2.607 10 30 AFEERN CC(C)(C)C1CCC2(CC1)O[C@@H]2C=O 238140190 573824922 /nfs/dbraw/zinc/82/49/22/573824922.db2.gz HBOKZQLISOBOQK-SQLBVSGCSA-N 0 0 196.290 2.559 10 30 AFEERN CC(C)C[C@H](CC=O)[C@@H](C)F 258431509 573825016 /nfs/dbraw/zinc/82/50/16/573825016.db2.gz CZKPLNXSIUZLAQ-BDAKNGLRSA-N 0 0 160.232 2.596 10 30 AFEERN C=C(C)[C@H]1CC(=O)[C@@H](C(=C)C)C1 238128968 573825304 /nfs/dbraw/zinc/82/53/04/573825304.db2.gz HMLFHLREGUXYEW-NXEZZACHSA-N 0 0 164.248 2.734 10 30 AFEERN CCCCC#C[C@@H]1CCCC[C@H]1O 198593144 573825371 /nfs/dbraw/zinc/82/53/71/573825371.db2.gz ULKNPTNGJHCWMK-VXGBXAGGSA-N 0 0 180.291 2.731 10 30 AFEERN CCCCCC[C@H](C)N[C@H](C)C#N 43515450 573825443 /nfs/dbraw/zinc/82/54/43/573825443.db2.gz UQMXPTAKLGDKAE-WDEREUQCSA-N 0 0 182.311 2.847 10 30 AFEERN CC(=O)C[C@H]1CC[C@@](C)(C=O)C1(C)C 238130195 573825488 /nfs/dbraw/zinc/82/54/88/573825488.db2.gz XCKTXGGPXASWOH-PWSUYJOCSA-N 0 0 196.290 2.607 10 30 AFEERN C=CC(C)(C)C[C@]12C[C@H]1CCC2=O 238129754 573825495 /nfs/dbraw/zinc/82/54/95/573825495.db2.gz SLEGPLKGNHTXHE-BXKDBHETSA-N 0 0 178.275 2.958 10 30 AFEERN CCCC[C@H](C#N)NC1CCCC1 41053317 573825517 /nfs/dbraw/zinc/82/55/17/573825517.db2.gz HTAOAXHBMUJKDF-LLVKDONJSA-N 0 0 180.295 2.601 10 30 AFEERN CC[C@]1(c2ccccc2)C[C@H]1C=O 257884901 573825539 /nfs/dbraw/zinc/82/55/39/573825539.db2.gz MMLVHGDCSXZRAK-NWDGAFQWSA-N 0 0 174.243 2.553 10 30 AFEERN CCSc1cccc(CC=O)c1 257884898 573825572 /nfs/dbraw/zinc/82/55/72/573825572.db2.gz MMGTXDMOQFQINL-UHFFFAOYSA-N 0 0 180.272 2.540 10 30 AFEERN CCCCC#C[C@@H]1CCCC[C@@H]1O 198593114 573825589 /nfs/dbraw/zinc/82/55/89/573825589.db2.gz ULKNPTNGJHCWMK-NEPJUHHUSA-N 0 0 180.291 2.731 10 30 AFEERN C=C(C)[C@@H]1N=Nc2ncccc21 238129788 573825596 /nfs/dbraw/zinc/82/55/96/573825596.db2.gz RYWIYUPTPCXKSW-QMMMGPOBSA-N 0 0 159.192 2.796 10 30 AFEERN CC[C@@H](C)C[C@@H](C#N)N(CC)CC 394402683 573825616 /nfs/dbraw/zinc/82/56/16/573825616.db2.gz CQGOBSFPFJXCTB-MNOVXSKESA-N 0 0 182.311 2.657 10 30 AFEERN CCO[C@](C)(CC=O)CC1CCC1 257884890 573825639 /nfs/dbraw/zinc/82/56/39/573825639.db2.gz MLTHGDJXIXXFDL-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN C=C[C@]12CCCC[C@@H]1C=CC(=O)C2 238129620 573825657 /nfs/dbraw/zinc/82/56/57/573825657.db2.gz PQBMGMKAAWOUJM-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)(C#N)C[C@H]1CCCC(=O)C1 238129340 573825703 /nfs/dbraw/zinc/82/57/03/573825703.db2.gz QWUUVJJCAFFCFJ-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN Cc1nc2cc(C#N)c(C)cc2s1 238524657 573825714 /nfs/dbraw/zinc/82/57/14/573825714.db2.gz QHVZMLUBTHBSRW-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN C=C[C@]1(C)C[C@H]1C(=O)C(C)(C)C 238131341 573825726 /nfs/dbraw/zinc/82/57/26/573825726.db2.gz UBCVWRNSRHOESC-GZMMTYOYSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)C[C@H](CC=O)[C@H](C)F 258431522 573825749 /nfs/dbraw/zinc/82/57/49/573825749.db2.gz CZKPLNXSIUZLAQ-IUCAKERBSA-N 0 0 160.232 2.596 10 30 AFEERN C=CC1=C([C@@H](O)C(=C)C)CCCC1 238140131 573825756 /nfs/dbraw/zinc/82/57/56/573825756.db2.gz UIWAPVZMUCPBMI-LBPRGKRZSA-N 0 0 178.275 2.980 10 30 AFEERN CCC[C@@H](C)COC/C=C/CS 233275517 573825828 /nfs/dbraw/zinc/82/58/28/573825828.db2.gz VUGWSIYKIDMYHZ-ORAHPGNNSA-N 0 0 188.336 2.925 10 30 AFEERN Cc1cc(C2CCC2)c(C#N)cn1 259622850 573825861 /nfs/dbraw/zinc/82/58/61/573825861.db2.gz HYNBEJWPDASATN-UHFFFAOYSA-N 0 0 172.231 2.529 10 30 AFEERN CC(C)(C)c1nc(C=O)c(N=[N+]=[N-])o1 238130835 573825907 /nfs/dbraw/zinc/82/59/07/573825907.db2.gz JODCRUIHCQHCBD-UHFFFAOYSA-N 0 0 194.194 2.726 10 30 AFEERN CCCC[C@H](C#N)NC1CCCCC1 41053321 573825908 /nfs/dbraw/zinc/82/59/08/573825908.db2.gz YNSAMUCLBGRAIB-GFCCVEGCSA-N 0 0 194.322 2.991 10 30 AFEERN CC(C)C[C@@H](CC=O)[C@H](C)F 258431516 573825958 /nfs/dbraw/zinc/82/59/58/573825958.db2.gz CZKPLNXSIUZLAQ-DTWKUNHWSA-N 0 0 160.232 2.596 10 30 AFEERN C=C[C@@]1(C)C[C@H]1C(=O)C(C)(C)C 238131594 573827588 /nfs/dbraw/zinc/82/75/88/573827588.db2.gz UBCVWRNSRHOESC-KWQFWETISA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)CCC[C@H](C)N[C@@H](C)C#N 43515417 573827590 /nfs/dbraw/zinc/82/75/90/573827590.db2.gz FLPOKXVNHNNMEH-QWRGUYRKSA-N 0 0 182.311 2.703 10 30 AFEERN C=C(C)[C@@H]1CC[C@]2(C=O)C[C@@H]2C1 238131589 573827600 /nfs/dbraw/zinc/82/76/00/573827600.db2.gz MZJQWFAAWKPKMQ-OUAUKWLOSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(F)c([C@H](C)C#N)cc1F 87220055 573827659 /nfs/dbraw/zinc/82/76/59/573827659.db2.gz MWOGMBSEFAILQU-SSDOTTSWSA-N 0 0 181.185 2.900 10 30 AFEERN CC(C)CCC[C@@H](C)N[C@@H](C)C#N 43515416 573826972 /nfs/dbraw/zinc/82/69/72/573826972.db2.gz FLPOKXVNHNNMEH-MNOVXSKESA-N 0 0 182.311 2.703 10 30 AFEERN CC[C@@]1(c2cccc(F)c2)C[C@H]1C=O 257884550 573826982 /nfs/dbraw/zinc/82/69/82/573826982.db2.gz VZLKRVHGOOIQSO-JQWIXIFHSA-N 0 0 192.233 2.692 10 30 AFEERN Cc1cc(F)c([C@H](C)C=O)cc1F 87220713 573827191 /nfs/dbraw/zinc/82/71/91/573827191.db2.gz FNLZRMARGUSNNE-SSDOTTSWSA-N 0 0 184.185 2.576 10 30 AFEERN CC[C@H]1CCC[C@@H](C=O)CC1 84325000 573827212 /nfs/dbraw/zinc/82/72/12/573827212.db2.gz CZDMZUHUJDXAHU-VHSXEESVSA-N 0 0 154.253 2.792 10 30 AFEERN CC(C)=C=C(Cl)C(C)(C)C=O 238131485 573827421 /nfs/dbraw/zinc/82/74/21/573827421.db2.gz ISENZRXISFWXTN-UHFFFAOYSA-N 0 0 172.655 2.899 10 30 AFEERN CC(C)CC1CCCC(=O)C1=O 238131549 573827466 /nfs/dbraw/zinc/82/74/66/573827466.db2.gz ILWKOCBFCXXHDA-UHFFFAOYSA-N 0 0 168.236 2.598 10 30 AFEERN CC1=C(CC(C)C)C(=O)CC1 238131462 573827473 /nfs/dbraw/zinc/82/74/73/573827473.db2.gz FUOLXHNTGOTDEQ-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@]1(c2ccccc2)C[C@@H]1C=O 257884903 573827499 /nfs/dbraw/zinc/82/74/99/573827499.db2.gz MMLVHGDCSXZRAK-VXGBXAGGSA-N 0 0 174.243 2.553 10 30 AFEERN CC1=C(CC(C)C)CCC1=O 238131386 573827529 /nfs/dbraw/zinc/82/75/29/573827529.db2.gz BOIXNWZHLAWJPR-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)[C@@H]1CC[C@H]2CCC(=O)[C@@H]21 238131548 573827532 /nfs/dbraw/zinc/82/75/32/573827532.db2.gz NHBFXFNFXVRQFO-QXEWZRGKSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H]2CCC(=O)[C@@H]21 238131469 573827555 /nfs/dbraw/zinc/82/75/55/573827555.db2.gz NHBFXFNFXVRQFO-YWVKMMECSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)(C)[C@@H](O)CC#CC1CCCC1 238146514 573829463 /nfs/dbraw/zinc/82/94/63/573829463.db2.gz WRIUEJCSILMPFG-LBPRGKRZSA-N 0 0 194.318 2.977 10 30 AFEERN CCCCCC[C@@H](C)N[C@H](C)C#N 43515449 573829468 /nfs/dbraw/zinc/82/94/68/573829468.db2.gz UQMXPTAKLGDKAE-GHMZBOCLSA-N 0 0 182.311 2.847 10 30 AFEERN Cc1cc(C)cc([C@@H](C)C#N)c1 84329550 573829576 /nfs/dbraw/zinc/82/95/76/573829576.db2.gz SMOOFCKTFSMXGE-JTQLQIEISA-N 0 0 159.232 2.931 10 30 AFEERN CCC[C@H](C)C=NN1CCCCC1 308451026 573829615 /nfs/dbraw/zinc/82/96/15/573829615.db2.gz DKYPQOUEJDZOLU-NSHDSACASA-N 0 0 182.311 2.894 10 30 AFEERN Cc1cc(F)cc(C(C)(C)C#N)c1N 238526991 573829721 /nfs/dbraw/zinc/82/97/21/573829721.db2.gz UQSIHGWASUHHPQ-UHFFFAOYSA-N 0 0 192.237 2.518 10 30 AFEERN C=C[C@H]1C[C@]1(C=O)c1ccc(C)cc1 238527075 573829745 /nfs/dbraw/zinc/82/97/45/573829745.db2.gz JHSRQHSQEDMNEX-WCQYABFASA-N 0 0 186.254 2.638 10 30 AFEERN CC(C)CCC[C@@H](C)N[C@H](C)C#N 43515418 573829789 /nfs/dbraw/zinc/82/97/89/573829789.db2.gz FLPOKXVNHNNMEH-GHMZBOCLSA-N 0 0 182.311 2.703 10 30 AFEERN CC[C@H](C#N)Cc1ccccc1 84329540 573829824 /nfs/dbraw/zinc/82/98/24/573829824.db2.gz VSDRTHPRMPEAQI-JTQLQIEISA-N 0 0 159.232 2.779 10 30 AFEERN CON=C/C(C)=C/c1ccccc1 308451030 573829937 /nfs/dbraw/zinc/82/99/37/573829937.db2.gz DLFQFEIMQPVUIU-IMSVXUGVSA-N 0 0 175.231 2.722 10 30 AFEERN C[C@]1(c2cccc(Cl)c2)C[C@@H]1C=O 257885250 573830070 /nfs/dbraw/zinc/83/00/70/573830070.db2.gz WCJJZDMAYOSFKO-MWLCHTKSSA-N 0 0 194.661 2.817 10 30 AFEERN C[C@@]1(c2cc(F)ccc2F)C[C@@H]1C#N 258965977 573835191 /nfs/dbraw/zinc/83/51/91/573835191.db2.gz HMPSEFVAJLKVNP-RDDDGLTNSA-N 0 0 193.196 2.766 10 30 AFEERN CC(C)(C=O)C1=CC=CCC=C1 238155956 573834638 /nfs/dbraw/zinc/83/46/38/573834638.db2.gz GDFPDBIWBLTOFZ-UHFFFAOYSA-N 0 0 162.232 2.654 10 30 AFEERN C[C@H](C#N)c1ccc(N)c(Cl)c1 100989756 573834768 /nfs/dbraw/zinc/83/47/68/573834768.db2.gz BYIAXYDGCMFCPN-ZCFIWIBFSA-N 0 0 180.638 2.549 10 30 AFEERN CC[C@H](C#N)N[C@@H](C)c1ccc(C)o1 43540740 573834818 /nfs/dbraw/zinc/83/48/18/573834818.db2.gz QXEXPABETGBUJZ-VHSXEESVSA-N 0 0 192.262 2.541 10 30 AFEERN C=C=C(C(C)(C)C=O)[Si](C)(C)C 238155510 573834943 /nfs/dbraw/zinc/83/49/43/573834943.db2.gz BKGGOXFQCXVVSO-UHFFFAOYSA-N 0 0 182.339 2.800 10 30 AFEERN COCCC1=CC[C@@H](CC=O)C1(C)C 222716568 573834949 /nfs/dbraw/zinc/83/49/49/573834949.db2.gz PNBOXWRHOJMOJP-JTQLQIEISA-N 0 0 196.290 2.584 10 30 AFEERN C[C@]1(c2cc(F)ccc2F)C[C@@H]1C#N 258965976 573835022 /nfs/dbraw/zinc/83/50/22/573835022.db2.gz HMPSEFVAJLKVNP-HQJQHLMTSA-N 0 0 193.196 2.766 10 30 AFEERN CC(=O)C1=CC[C@@H](CC(C)C)C1 238155733 573835032 /nfs/dbraw/zinc/83/50/32/573835032.db2.gz HKVLJAMRZROXTM-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@]1(C)C[C@]2(C)C[C@@H]2C1=O 238155085 573835068 /nfs/dbraw/zinc/83/50/68/573835068.db2.gz FDTPMFCOZKEGTO-MIMYLULJSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@]1(c2cc(F)ccc2F)C[C@H]1C#N 258965979 573838446 /nfs/dbraw/zinc/83/84/46/573838446.db2.gz HMPSEFVAJLKVNP-WRWORJQWSA-N 0 0 193.196 2.766 10 30 AFEERN CC[C@H](C)[C@@H]1CC[C@@H]([NH2+]CCC#N)C1 308762485 573838501 /nfs/dbraw/zinc/83/85/01/573838501.db2.gz YQLQZWCQAVRJSN-QJPTWQEYSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@@H](C#N)N[C@H](C)c1cccs1 43540040 573838668 /nfs/dbraw/zinc/83/86/68/573838668.db2.gz GTGAVUGQSLIRAL-BDAKNGLRSA-N 0 0 194.303 2.701 10 30 AFEERN Cc1cc(C)c(C(F)F)c(CC#N)n1 238535086 573838779 /nfs/dbraw/zinc/83/87/79/573838779.db2.gz BWRYKDBECFCCNP-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN C=CC[C@H](C)[C@H](O)c1cocc1C 715025213 573838931 /nfs/dbraw/zinc/83/89/31/573838931.db2.gz XIZKMAHRLNGEAT-KWQFWETISA-N 0 0 180.247 2.834 10 30 AFEERN CC/C=C\C(=O)CCC1CCOCC1 308758298 573838981 /nfs/dbraw/zinc/83/89/81/573838981.db2.gz XABDCCHJKYVBPU-ARJAWSKDSA-N 0 0 196.290 2.729 10 30 AFEERN C=C(C)c1ccc(Cl)cc1NC=O 238157832 573839008 /nfs/dbraw/zinc/83/90/08/573839008.db2.gz JJNUEOMRIHZRHH-UHFFFAOYSA-N 0 0 195.649 2.941 10 30 AFEERN CC(C)c1ccc(CNCS)cc1 258966787 573839038 /nfs/dbraw/zinc/83/90/38/573839038.db2.gz ULIUXBQUXUBHOX-UHFFFAOYSA-N 0 0 195.331 2.787 10 30 AFEERN COCc1ccc([C@H](C)CC=O)cc1 258150449 573839040 /nfs/dbraw/zinc/83/90/40/573839040.db2.gz TYMATIRJXOFDFF-SNVBAGLBSA-N 0 0 192.258 2.526 10 30 AFEERN C=C[C@@H](O)CCC[Si](C)(C)C 238523814 573839087 /nfs/dbraw/zinc/83/90/87/573839087.db2.gz HMYRYFYYEQRKGR-SECBINFHSA-N 0 0 172.344 2.652 10 30 AFEERN C#CC(=O)c1ccccc1C(=C)C 238158836 573839146 /nfs/dbraw/zinc/83/91/46/573839146.db2.gz LMRFONNVCKCRQG-UHFFFAOYSA-N 0 0 170.211 2.536 10 30 AFEERN Cc1cc(C#N)c2ccoc2c1 238534639 573839171 /nfs/dbraw/zinc/83/91/71/573839171.db2.gz KWGMHIVVJGPTJZ-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN CC(C)=CC[C@H]1CCC=CC1=O 238157505 573840043 /nfs/dbraw/zinc/84/00/43/573840043.db2.gz UPYOTWCFEVGDHZ-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C(=C/c1ccccc1)\CC[C@H]1CO1 78684287 573840064 /nfs/dbraw/zinc/84/00/64/573840064.db2.gz FHMWBWRXTUBROP-GXWOQWCDSA-N 0 0 174.243 2.879 10 30 AFEERN C[C@@H]1CCC[C@H]([C@@H]2CC(=O)C=CO2)C1 84346771 573840069 /nfs/dbraw/zinc/84/00/69/573840069.db2.gz MPMCRJHIJQHRCP-SCVCMEIPSA-N 0 0 194.274 2.684 10 30 AFEERN CC(C)N[C@H](C#N)[C@H]1CCC[C@@H](C)C1 84343710 573840134 /nfs/dbraw/zinc/84/01/34/573840134.db2.gz RKOQXYBRIKNNTF-GRYCIOLGSA-N 0 0 194.322 2.703 10 30 AFEERN Cc1cc(C#N)c2cc(C)[nH]c2c1 238534493 573840184 /nfs/dbraw/zinc/84/01/84/573840184.db2.gz XGYLKUGRJMNWMM-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN C[C@H]1CCC[C@H](C(=O)CCC#N)C1 84341493 573840223 /nfs/dbraw/zinc/84/02/23/573840223.db2.gz ZVEPAYVKGDHGTF-UWVGGRQHSA-N 0 0 179.263 2.686 10 30 AFEERN C=CC[C@@H](C)[C@H](O)c1cocc1C 715025212 573840339 /nfs/dbraw/zinc/84/03/39/573840339.db2.gz XIZKMAHRLNGEAT-KCJUWKMLSA-N 0 0 180.247 2.834 10 30 AFEERN CC(C)C[C@H]1[C@@H](C=O)C1(C)C 238157336 573840368 /nfs/dbraw/zinc/84/03/68/573840368.db2.gz FPTZNDPEOJSRNC-DTWKUNHWSA-N 0 0 154.253 2.504 10 30 AFEERN CC(C)c1cn2cccc(CC#N)c2n1 214982125 573840429 /nfs/dbraw/zinc/84/04/29/573840429.db2.gz NCZVZOLDDIIEGP-UHFFFAOYSA-N 0 0 199.257 2.524 10 30 AFEERN CC(C)[C@H]1C/C(=N/CCO)C[C@H](C)C1 238158615 573840437 /nfs/dbraw/zinc/84/04/37/573840437.db2.gz URSMHRXQQGQBOQ-AYHAQHTHSA-N 0 0 197.322 2.512 10 30 AFEERN C[C@H]1CCC[C@@H](C(=O)CCC#N)C1 84341497 573840465 /nfs/dbraw/zinc/84/04/65/573840465.db2.gz ZVEPAYVKGDHGTF-VHSXEESVSA-N 0 0 179.263 2.686 10 30 AFEERN C=C(C)c1cnc(Cl)nc1Cl 238159637 573843986 /nfs/dbraw/zinc/84/39/86/573843986.db2.gz FADUQSHJKXEDCM-UHFFFAOYSA-N 0 0 189.045 2.817 10 30 AFEERN CC[C@@H](C#N)OCCc1cccs1 43557436 573844015 /nfs/dbraw/zinc/84/40/15/573844015.db2.gz UENQEJNKFSDBHS-VIFPVBQESA-N 0 0 195.287 2.609 10 30 AFEERN C=C(COC)C(=O)[C@H]1CCC[C@@H](C)C1 386495966 573844097 /nfs/dbraw/zinc/84/40/97/573844097.db2.gz TVAUCWQLNRMKDC-KOLCDFICSA-N 0 0 196.290 2.584 10 30 AFEERN CC[C@H](C#N)N(C)[C@@H](C)CC(C)C 43556759 573844125 /nfs/dbraw/zinc/84/41/25/573844125.db2.gz FOFZJLCPHWIFRP-WDEREUQCSA-N 0 0 182.311 2.655 10 30 AFEERN CC[C@@H](C#N)N(C)CC1CCCCC1 43556598 573844185 /nfs/dbraw/zinc/84/41/85/573844185.db2.gz YMNMGFPHHPWJRC-LBPRGKRZSA-N 0 0 194.322 2.801 10 30 AFEERN Cc1ccn(C)c1-c1cc(C#N)c(C)[nH]1 259623246 573844280 /nfs/dbraw/zinc/84/42/80/573844280.db2.gz CIOOLTJLNIXFKR-UHFFFAOYSA-N 0 0 199.257 2.509 10 30 AFEERN CC[C@H](C#N)n1c(C)nc2ccccc21 43556855 573844468 /nfs/dbraw/zinc/84/44/68/573844468.db2.gz OLUAJAPPTSWHIT-SNVBAGLBSA-N 0 0 199.257 2.819 10 30 AFEERN [N-]=[N+]=Nc1cccc2nnsc12 238535863 573844506 /nfs/dbraw/zinc/84/45/06/573844506.db2.gz HNOCBIZLIVGRIV-UHFFFAOYSA-N 0 0 177.192 2.633 10 30 AFEERN C=C(C)c1ccccc1/C=C/CO 238159391 573844540 /nfs/dbraw/zinc/84/45/40/573844540.db2.gz PPWDXMQQRNDPKS-FNORWQNLSA-N 0 0 174.243 2.725 10 30 AFEERN CSc1ccc(CCC=O)c(F)c1 258160506 573844587 /nfs/dbraw/zinc/84/45/87/573844587.db2.gz PLUDTFIWKOJLNY-UHFFFAOYSA-N 0 0 198.262 2.679 10 30 AFEERN COc1c(F)cc(C(C)C)cc1C#N 258150724 573845756 /nfs/dbraw/zinc/84/57/56/573845756.db2.gz UDQDOJJWACMRKE-UHFFFAOYSA-N 0 0 193.221 2.829 10 30 AFEERN C[C@@H](CC=O)c1c(F)cccc1F 258158041 573845971 /nfs/dbraw/zinc/84/59/71/573845971.db2.gz UUSPMYHGPLMFJG-ZETCQYMHSA-N 0 0 184.185 2.657 10 30 AFEERN CC[C@H](C#N)OCc1cccs1 43557434 573846195 /nfs/dbraw/zinc/84/61/95/573846195.db2.gz GWWPOHIHGBJAOR-MRVPVSSYSA-N 0 0 181.260 2.567 10 30 AFEERN CN(CCC#N)c1c[nH]c2ccccc12 258970231 573846228 /nfs/dbraw/zinc/84/62/28/573846228.db2.gz UYCFDBHFHZICPX-UHFFFAOYSA-N 0 0 199.257 2.518 10 30 AFEERN [N-]=[N+]=Nc1ccnn1Cc1ccccc1 238536690 573846243 /nfs/dbraw/zinc/84/62/43/573846243.db2.gz GTTHORYBZTXWTJ-UHFFFAOYSA-N 0 0 199.217 2.873 10 30 AFEERN CC[C@H](C#N)OCCCC(C)C 43557235 573846313 /nfs/dbraw/zinc/84/63/13/573846313.db2.gz IMIPOMWVYFZCIP-SNVBAGLBSA-N 0 0 169.268 2.741 10 30 AFEERN Cc1cc(C)c(N)c(C(C)(C)C#N)c1 238541516 573849591 /nfs/dbraw/zinc/84/95/91/573849591.db2.gz WHWPWSOWCUXHNU-UHFFFAOYSA-N 0 0 188.274 2.687 10 30 AFEERN C=CC[C@H]1C(=O)C=C[C@H]1C(C)(C)C 238150132 573849605 /nfs/dbraw/zinc/84/96/05/573849605.db2.gz QXISHMRJXHTEFO-NXEZZACHSA-N 0 0 178.275 2.980 10 30 AFEERN CC(C)Oc1cc(F)c(C#N)c(F)c1 238150326 573848976 /nfs/dbraw/zinc/84/89/76/573848976.db2.gz PNZABPCSRUQEAH-UHFFFAOYSA-N 0 0 197.184 2.624 10 30 AFEERN CCCC(C)(C)C[NH2+]CC(C)(C)C#N 258970340 573849028 /nfs/dbraw/zinc/84/90/28/573849028.db2.gz UZQPQTKNLZNNRZ-UHFFFAOYSA-N 0 0 196.338 2.952 10 30 AFEERN CC(C)(C)[C@H]1CC=C(C#CCO)CC1 238152011 573849071 /nfs/dbraw/zinc/84/90/71/573849071.db2.gz SCNNOIVNRIJHLS-LBPRGKRZSA-N 0 0 192.302 2.755 10 30 AFEERN C=C1CCC[C@@H](C(C)(C)C)C1=O 238152482 573849104 /nfs/dbraw/zinc/84/91/04/573849104.db2.gz RQGPIFMATSTNPW-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CCCCN(C1CC1)[C@@H](C#N)CC 43556596 573849199 /nfs/dbraw/zinc/84/91/99/573849199.db2.gz FUEMPRBXEBGSPH-SNVBAGLBSA-N 0 0 180.295 2.553 10 30 AFEERN C=CC[C@H](C=C(C)C)C(C)=O 238161352 573849333 /nfs/dbraw/zinc/84/93/33/573849333.db2.gz OQOKXNHVVLHIMH-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN CC[C@@H](C#N)OC[C@H]1CC=CC[C@@H]1C 43557264 573849357 /nfs/dbraw/zinc/84/93/57/573849357.db2.gz HRGQQODMVOCYPT-TUAOUCFPSA-N 0 0 193.290 2.907 10 30 AFEERN CC(C)(C)[C@H]1C=CC(=O)CCC1 238152536 573849453 /nfs/dbraw/zinc/84/94/53/573849453.db2.gz KWCVFLXSDFTKSA-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@H]1COc2cc(F)ccc2N1 238151787 573849465 /nfs/dbraw/zinc/84/94/65/573849465.db2.gz WPLFHVKOTNGXGW-SNVBAGLBSA-N 0 0 193.221 2.575 10 30 AFEERN CC[C@H](C#N)OC[C@@H]1CC=CC[C@@H]1C 43557263 573849478 /nfs/dbraw/zinc/84/94/78/573849478.db2.gz HRGQQODMVOCYPT-SDDRHHMPSA-N 0 0 193.290 2.907 10 30 AFEERN CC[C@@H](C#N)N(CC(C)C)C(C)C 43556764 573849518 /nfs/dbraw/zinc/84/95/18/573849518.db2.gz RPXKSEYSGSUMIO-NSHDSACASA-N 0 0 182.311 2.655 10 30 AFEERN Cc1cc2c(cc1C)CC(CC=O)=C2 238541620 573849531 /nfs/dbraw/zinc/84/95/31/573849531.db2.gz KKSKIQJDTLXEMJ-UHFFFAOYSA-N 0 0 186.254 2.832 10 30 AFEERN C[C@]12C=CC(=O)[C@@H]1C[C@@H]1CCC[C@@H]12 238539065 573850731 /nfs/dbraw/zinc/85/07/31/573850731.db2.gz JISGMMLIAZKTKX-QFOLPQNPSA-N 0 0 176.259 2.568 10 30 AFEERN C=C(C)[C@H]1CC[C@]2(C=O)C[C@@H]2C1 238151525 573850863 /nfs/dbraw/zinc/85/08/63/573850863.db2.gz MZJQWFAAWKPKMQ-GARJFASQSA-N 0 0 164.248 2.568 10 30 AFEERN SCc1nccc(C2CCCC2)n1 258969201 573851372 /nfs/dbraw/zinc/85/13/72/573851372.db2.gz AEOQGRLVIODELZ-UHFFFAOYSA-N 0 0 194.303 2.564 10 30 AFEERN O=CC1(c2cccc(Cl)c2)CCC1 84356704 573850981 /nfs/dbraw/zinc/85/09/81/573850981.db2.gz QBJTUFPSHDGEIG-UHFFFAOYSA-N 0 0 194.661 2.961 10 30 AFEERN CC(C)(C)[C@@H]1CCC(C=O)=C(O)C1 238150838 573851132 /nfs/dbraw/zinc/85/11/32/573851132.db2.gz CKWMIRWSWATFCV-FCZSHJHJSA-N 0 0 182.263 2.844 10 30 AFEERN CC(C)(C)[C@@H]1CCC[C@@H](CC=O)O1 238153561 573853414 /nfs/dbraw/zinc/85/34/14/573853414.db2.gz DVGUJYJMCPBDHF-UWVGGRQHSA-N 0 0 184.279 2.559 10 30 AFEERN Cc1cc(F)c2[nH]cc(CC#N)c2c1 238541723 573852830 /nfs/dbraw/zinc/85/28/30/573852830.db2.gz FDUGVLPTEWCECM-UHFFFAOYSA-N 0 0 188.205 2.682 10 30 AFEERN C=CC(C)(C)[C@@H]1C=CNC(=S)C1 238154538 573852902 /nfs/dbraw/zinc/85/29/02/573852902.db2.gz OCEDYHUZFOBAMI-MRVPVSSYSA-N 0 0 181.304 2.649 10 30 AFEERN Cc1c(CC#N)cnc(C(F)F)c1C 238540055 573852951 /nfs/dbraw/zinc/85/29/51/573852951.db2.gz KUJCOKLDMMTPAY-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN C=CC(C)(C)[C@@H](O)c1ccccc1O 238153597 573853091 /nfs/dbraw/zinc/85/30/91/573853091.db2.gz IEFONHILXZLBDI-NSHDSACASA-N 0 0 192.258 2.638 10 30 AFEERN C#CC#CC(C)(C)Nc1ccccc1 238166390 573853302 /nfs/dbraw/zinc/85/33/02/573853302.db2.gz YWJWDBRDSWVNJW-UHFFFAOYSA-N 0 0 183.254 2.514 10 30 AFEERN C=CC(C)(C)Nc1ccc(C#N)cc1 238166004 573854522 /nfs/dbraw/zinc/85/45/22/573854522.db2.gz BZKWTLZGDJJUHL-UHFFFAOYSA-N 0 0 186.258 2.935 10 30 AFEERN CCC[C@@H](CC=O)C(C)(C)F 258437085 573855188 /nfs/dbraw/zinc/85/51/88/573855188.db2.gz DRBLNIYOKLOUHU-QMMMGPOBSA-N 0 0 160.232 2.740 10 30 AFEERN Cc1cc(C)c(N=[N+]=[N-])c(C)n1 238542359 573854667 /nfs/dbraw/zinc/85/46/67/573854667.db2.gz YDZRKSHECYNWIS-UHFFFAOYSA-N 0 0 162.196 2.949 10 30 AFEERN CCC[C@H](CC=O)C(C)(C)F 258437082 573854792 /nfs/dbraw/zinc/85/47/92/573854792.db2.gz DRBLNIYOKLOUHU-MRVPVSSYSA-N 0 0 160.232 2.740 10 30 AFEERN CC(C)c1ccccc1C#C[C@@H](C)O 238166317 573854857 /nfs/dbraw/zinc/85/48/57/573854857.db2.gz GTHFUKZAJHJQCU-LLVKDONJSA-N 0 0 188.270 2.542 10 30 AFEERN N#CC1(c2cccc3cc[nH]c23)CC1 238542372 573854877 /nfs/dbraw/zinc/85/48/77/573854877.db2.gz NXWAGYOCWXEWCY-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN N#CC1(c2ccc3[nH]ccc3c2)CC1 238542656 573854942 /nfs/dbraw/zinc/85/49/42/573854942.db2.gz GSCVOHPHECCLPT-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN C=CC(C)(C)[C@H]1C=CNC(=S)C1 238153742 573854948 /nfs/dbraw/zinc/85/49/48/573854948.db2.gz OCEDYHUZFOBAMI-QMMMGPOBSA-N 0 0 181.304 2.649 10 30 AFEERN CC(C)c1ccccc1C#C[C@H](C)O 238166336 573855033 /nfs/dbraw/zinc/85/50/33/573855033.db2.gz GTHFUKZAJHJQCU-NSHDSACASA-N 0 0 188.270 2.542 10 30 AFEERN CC(C)[C@@H]1CC[C@]2(C)C=CC(=O)[C@@H]12 238153598 573855041 /nfs/dbraw/zinc/85/50/41/573855041.db2.gz VROVLGDPAJTDOE-MVWJERBFSA-N 0 0 178.275 2.814 10 30 AFEERN C=CC(C)(C)[C@H](O)c1ccccc1O 238154422 573855142 /nfs/dbraw/zinc/85/51/42/573855142.db2.gz IEFONHILXZLBDI-LLVKDONJSA-N 0 0 192.258 2.638 10 30 AFEERN CC(C)(C)[C@@H]1CCC[C@H](CC=O)O1 238153870 573856395 /nfs/dbraw/zinc/85/63/95/573856395.db2.gz DVGUJYJMCPBDHF-ZJUUUORDSA-N 0 0 184.279 2.559 10 30 AFEERN CCc1nc(C2(C#N)CCC2)cs1 259213959 573856449 /nfs/dbraw/zinc/85/64/49/573856449.db2.gz IFNAKKNTMBYUME-UHFFFAOYSA-N 0 0 192.287 2.651 10 30 AFEERN O=CC[C@H]1CCC[C@H]1c1ccco1 197061764 573856463 /nfs/dbraw/zinc/85/64/63/573856463.db2.gz AWHBLLHNHARRPL-NXEZZACHSA-N 0 0 178.231 2.752 10 30 AFEERN C=CC(C)(C)[C@@H](O)c1ccoc1 238153699 573856492 /nfs/dbraw/zinc/85/64/92/573856492.db2.gz ZVJCGBHOYISJSB-VIFPVBQESA-N 0 0 166.220 2.525 10 30 AFEERN C=C[C@H](CC=C(C)C)C(C)=O 238153685 573856518 /nfs/dbraw/zinc/85/65/18/573856518.db2.gz PCRXEVJYWJUKNT-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN C=CC[C@H](C)[C@H](O)CC[C@H]1CCCO1 715028602 573856626 /nfs/dbraw/zinc/85/66/26/573856626.db2.gz ITFMTLKKMKKJDU-QJPTWQEYSA-N 0 0 198.306 2.519 10 30 AFEERN N#CC1(c2ccc3cc[nH]c3c2)CC1 238542699 573856748 /nfs/dbraw/zinc/85/67/48/573856748.db2.gz NJDYEDZSWDCYJS-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN C=CC[C@H](C)[C@@H](O)CC[C@H]1CCCO1 715028605 573856753 /nfs/dbraw/zinc/85/67/53/573856753.db2.gz ITFMTLKKMKKJDU-TUAOUCFPSA-N 0 0 198.306 2.519 10 30 AFEERN C=CC(C)(C)[C@H](O)c1ccoc1 238154501 573856857 /nfs/dbraw/zinc/85/68/57/573856857.db2.gz ZVJCGBHOYISJSB-SECBINFHSA-N 0 0 166.220 2.525 10 30 AFEERN Cc1ccccc1NC[C@@H](C)S 197062674 573856894 /nfs/dbraw/zinc/85/68/94/573856894.db2.gz MQNCHRAEYKXMCT-SECBINFHSA-N 0 0 181.304 2.725 10 30 AFEERN C=C(C)CCN(CC(C)(C)C)OC 308456870 573856918 /nfs/dbraw/zinc/85/69/18/573856918.db2.gz GEZKUENXFXVAPV-UHFFFAOYSA-N 0 0 185.311 2.862 10 30 AFEERN C=C1CC[C@H](C)C(C)(C)[C@@H]1C=O 101272289 573857126 /nfs/dbraw/zinc/85/71/26/573857126.db2.gz JOPBORIXJGLUPN-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN C=CCCCCNc1cc(C)cnn1 308457066 573857134 /nfs/dbraw/zinc/85/71/34/573857134.db2.gz DLSLIUPOFXVECJ-UHFFFAOYSA-N 0 0 191.278 2.553 10 30 AFEERN O=CC[C@@H]1CCC[C@@H]1c1ccco1 197061801 573857188 /nfs/dbraw/zinc/85/71/88/573857188.db2.gz AWHBLLHNHARRPL-UWVGGRQHSA-N 0 0 178.231 2.752 10 30 AFEERN C=CC[C@H](C)[C@@H](O)CC[C@@H]1CCCO1 715028604 573857243 /nfs/dbraw/zinc/85/72/43/573857243.db2.gz ITFMTLKKMKKJDU-SRVKXCTJSA-N 0 0 198.306 2.519 10 30 AFEERN Cc1nc2c(C#N)ccc(C)c2s1 238543966 573857276 /nfs/dbraw/zinc/85/72/76/573857276.db2.gz BWYVMAFWCOZEPB-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN Cc1ccc(NC[C@@H](C#N)C(C)C)o1 258973181 573857282 /nfs/dbraw/zinc/85/72/82/573857282.db2.gz LOIMBKLDWAJHFM-SNVBAGLBSA-N 0 0 192.262 2.796 10 30 AFEERN Cc1cc([C@@H]2C[C@H]2C#N)ccc1F 259211042 573857327 /nfs/dbraw/zinc/85/73/27/573857327.db2.gz QXSGHGPHWNVXRV-UWVGGRQHSA-N 0 0 175.206 2.761 10 30 AFEERN C=C[C@@](C)(CC)C(=O)O[C@@H](C)CC 308456275 573857384 /nfs/dbraw/zinc/85/73/84/573857384.db2.gz GCMFXPLWLKXTQE-ONGXEEELSA-N 0 0 184.279 2.930 10 30 AFEERN C[C@@H](C#N)NCC(C)(C)C1=CCCC1 308769251 573857536 /nfs/dbraw/zinc/85/75/36/573857536.db2.gz XUDQXVVRBOVBLJ-JTQLQIEISA-N 0 0 192.306 2.625 10 30 AFEERN Cc1cc([C@H]2C[C@@H]2C#N)ccc1F 259211041 573857601 /nfs/dbraw/zinc/85/76/01/573857601.db2.gz QXSGHGPHWNVXRV-NXEZZACHSA-N 0 0 175.206 2.761 10 30 AFEERN N#Cc1cc(-c2ccccc2F)c[nH]1 259211142 573857657 /nfs/dbraw/zinc/85/76/57/573857657.db2.gz NUAWISCFHREZCC-UHFFFAOYSA-N 0 0 186.189 2.692 10 30 AFEERN COc1ccc(F)cc1/C=C\CC#N 308456702 573857673 /nfs/dbraw/zinc/85/76/73/573857673.db2.gz SMUAHPCEPDUINY-RQOWECAXSA-N 0 0 191.205 2.761 10 30 AFEERN C=C(C)[C@H](C=C(C)C)CC=O 238168510 573857679 /nfs/dbraw/zinc/85/76/79/573857679.db2.gz GNZDGMNEOLJBBK-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN CCc1nc(C)c(C(C)(C)C#N)s1 259210911 573858530 /nfs/dbraw/zinc/85/85/30/573858530.db2.gz IAFBOMHMGUWDBZ-UHFFFAOYSA-N 0 0 194.303 2.815 10 30 AFEERN C=C/C=C\[C@@H](O)C#CC1=CCCCC1 308456236 573858544 /nfs/dbraw/zinc/85/85/44/573858544.db2.gz XBVVDJDWGIZNBT-ZCMXANCESA-N 0 0 188.270 2.593 10 30 AFEERN Cc1ccccc1NC[C@H](C)S 197062685 573858089 /nfs/dbraw/zinc/85/80/89/573858089.db2.gz MQNCHRAEYKXMCT-VIFPVBQESA-N 0 0 181.304 2.725 10 30 AFEERN C=C/C=C\[C@H](O)C#CC1=CCCCC1 308456235 573858109 /nfs/dbraw/zinc/85/81/09/573858109.db2.gz XBVVDJDWGIZNBT-YMSVAJCUSA-N 0 0 188.270 2.593 10 30 AFEERN CC(C)[C@@H]1C/C(=N/CCO)C[C@H](C)C1 238167895 573858131 /nfs/dbraw/zinc/85/81/31/573858131.db2.gz URSMHRXQQGQBOQ-DDAMBWEPSA-N 0 0 197.322 2.512 10 30 AFEERN O=CC[C@H]1CCC[C@@H]1c1ccco1 197061776 573858218 /nfs/dbraw/zinc/85/82/18/573858218.db2.gz AWHBLLHNHARRPL-ZJUUUORDSA-N 0 0 178.231 2.752 10 30 AFEERN O=CCc1cc2ccc(F)cc2s1 258163709 573858298 /nfs/dbraw/zinc/85/82/98/573858298.db2.gz LWSOYYHZNXAVND-UHFFFAOYSA-N 0 0 194.230 2.782 10 30 AFEERN Cc1cc([C@@H]2C[C@@H]2C#N)ccc1F 259211044 573858302 /nfs/dbraw/zinc/85/83/02/573858302.db2.gz QXSGHGPHWNVXRV-ZJUUUORDSA-N 0 0 175.206 2.761 10 30 AFEERN C=CC[C@@H]1C[C@@H](C(C)=O)C1(C)C 238168337 573858304 /nfs/dbraw/zinc/85/83/04/573858304.db2.gz OTIWWYMGHDZRLX-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@@](C)(CC)C(=O)O[C@H](C)CC 308456265 573858385 /nfs/dbraw/zinc/85/83/85/573858385.db2.gz GCMFXPLWLKXTQE-KOLCDFICSA-N 0 0 184.279 2.930 10 30 AFEERN Cc1ccc(C#N)cc1C(C)(C)C#N 238544305 573858418 /nfs/dbraw/zinc/85/84/18/573858418.db2.gz ZSUAVACRZALAGC-UHFFFAOYSA-N 0 0 184.242 2.668 10 30 AFEERN Cc1nc2c(C)ccc(C#N)c2s1 238544173 573858518 /nfs/dbraw/zinc/85/85/18/573858518.db2.gz UEBWPUPSKUMOOF-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN C=C(CCO)c1cc(C)cc(C)c1 238548048 573861585 /nfs/dbraw/zinc/86/15/85/573861585.db2.gz UWAKNPNEMWGWAS-UHFFFAOYSA-N 0 0 176.259 2.699 10 30 AFEERN C=CC[C@H](C)[C@H](O)CCc1ccco1 715029146 573861586 /nfs/dbraw/zinc/86/15/86/573861586.db2.gz LOCLEKUOGVFYDF-CMPLNLGQSA-N 0 0 194.274 2.785 10 30 AFEERN C=C(C)[C@@H](C=C(C)C)C(C)=O 238168397 573860860 /nfs/dbraw/zinc/86/08/60/573860860.db2.gz COCILGUXZQMORH-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN C=C[C@H](/C=C(\C)c1ccccc1)CO 308457321 573861066 /nfs/dbraw/zinc/86/10/66/573861066.db2.gz YFADLZCSHKMRPU-LMMOQWNQSA-N 0 0 188.270 2.884 10 30 AFEERN COCCCCC1(C#N)CCCC1 131372937 573861145 /nfs/dbraw/zinc/86/11/45/573861145.db2.gz BFWBDVRXEFZKAM-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN C[C@@H](C#N)n1ccc2cc(C#N)ccc21 308772659 573861234 /nfs/dbraw/zinc/86/12/34/573861234.db2.gz LQTXMJCHWYYTDW-VIFPVBQESA-N 0 0 195.225 2.598 10 30 AFEERN C=CC[C@H](C)[C@]1(O)C[C@@H](C)[C@@H]1C 715028935 573864179 /nfs/dbraw/zinc/86/41/79/573864179.db2.gz MLVDAUHBRHOBRB-VPOLOUISSA-N 0 0 168.280 2.606 10 30 AFEERN COCCCC[C@]1(C#N)CCCS1 131381831 573864187 /nfs/dbraw/zinc/86/41/87/573864187.db2.gz ASQFAJSECMJGAM-SNVBAGLBSA-N 0 0 199.319 2.592 10 30 AFEERN Cc1c(C#N)sc2c(C#N)cccc12 306735843 573864257 /nfs/dbraw/zinc/86/42/57/573864257.db2.gz PUNSTXMWBYCXHX-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C=CC[C@@H](C)[C@@](O)(CC)C1CC1 715029135 573864271 /nfs/dbraw/zinc/86/42/71/573864271.db2.gz OQINQZGMHCLSCP-KOLCDFICSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1ccc([C@H](C)CC=O)c(O)c1F 258165732 573864300 /nfs/dbraw/zinc/86/43/00/573864300.db2.gz VKDJOIQRLARYKX-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN C=CC[C@@H](C)[C@](O)(CC)C1CC1 715029137 573864351 /nfs/dbraw/zinc/86/43/51/573864351.db2.gz OQINQZGMHCLSCP-MWLCHTKSSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1ccc([C@H](C)C#N)cc1F 87284415 573864907 /nfs/dbraw/zinc/86/49/07/573864907.db2.gz FYYHQIRZCXDHJU-MRVPVSSYSA-N 0 0 163.195 2.761 10 30 AFEERN C=C(C)C(=O)c1cscc1C 87287922 573864642 /nfs/dbraw/zinc/86/46/42/573864642.db2.gz DPACKYWBUQQLRZ-UHFFFAOYSA-N 0 0 166.245 2.815 10 30 AFEERN Cc1cccc([C@H](N)C(C)(C)C#N)c1 259576617 573864731 /nfs/dbraw/zinc/86/47/31/573864731.db2.gz VWQFBSYVPXKVRU-NSHDSACASA-N 0 0 188.274 2.545 10 30 AFEERN COc1cccc([C@@H]2C[C@]2(C)C#N)c1 258977765 573871381 /nfs/dbraw/zinc/87/13/81/573871381.db2.gz JBZYNZXEOLZJBI-NWDGAFQWSA-N 0 0 187.242 2.712 10 30 AFEERN C=CC[C@H](C)[C@@](C)(O)c1nccs1 715036484 573871688 /nfs/dbraw/zinc/87/16/88/573871688.db2.gz ODPPZNAHYHNLCQ-WCBMZHEXSA-N 0 0 197.303 2.563 10 30 AFEERN C=CC[C@@H]1CCC[C@@H](C(C)=O)C1 238164590 573871755 /nfs/dbraw/zinc/87/17/55/573871755.db2.gz MLJOSDDORYMQMM-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@H](C)[C@H](O)c1ccc(C)o1 715038318 573872234 /nfs/dbraw/zinc/87/22/34/573872234.db2.gz UYGSXPQEPJMDND-KCJUWKMLSA-N 0 0 180.247 2.834 10 30 AFEERN CC(=O)/C=C/[C@H]1CCC[C@H](C)C1 80012203 573872312 /nfs/dbraw/zinc/87/23/12/573872312.db2.gz PNCFCNDLTOKAEV-DLJWJUBYSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC(C)(C)[C@H]1C=CCC(=S)N1 238164097 573872379 /nfs/dbraw/zinc/87/23/79/573872379.db2.gz XXUKZPMEHPTJAS-SECBINFHSA-N 0 0 195.331 2.834 10 30 AFEERN COc1cccc([C@@H]2C[C@@]2(C)C#N)c1 258977768 573872416 /nfs/dbraw/zinc/87/24/16/573872416.db2.gz JBZYNZXEOLZJBI-RYUDHWBXSA-N 0 0 187.242 2.712 10 30 AFEERN C#Cc1cc(F)c2occ(C)c2c1 238550140 573872418 /nfs/dbraw/zinc/87/24/18/573872418.db2.gz NBSHJXRSNGLFBA-UHFFFAOYSA-N 0 0 174.174 2.862 10 30 AFEERN CC(=O)/C=C\c1ccc(O)c(Cl)c1 217126887 573872442 /nfs/dbraw/zinc/87/24/42/573872442.db2.gz RRHPQDJWLFGPBX-IHWYPQMZSA-N 0 0 196.633 2.648 10 30 AFEERN C=CC[C@H](C)[C@]1(O)CCCC12CC2 715038353 573872495 /nfs/dbraw/zinc/87/24/95/573872495.db2.gz HVGBNGWUSXJSBL-CMPLNLGQSA-N 0 0 180.291 2.894 10 30 AFEERN CC(C)=C[C@H]1CC(=O)C=C(C)C1 238164043 573872607 /nfs/dbraw/zinc/87/26/07/573872607.db2.gz RKGRBQFSKLXIIE-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN CC(C)=C[C@@H]1C[C@]1(C)CC=O 238164818 573872638 /nfs/dbraw/zinc/87/26/38/573872638.db2.gz JFLXKWNSJRYMHS-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)/C=C/[C@@H]1CCC[C@@H](C)C1 80012194 573872749 /nfs/dbraw/zinc/87/27/49/573872749.db2.gz PNCFCNDLTOKAEV-KUCBXDRKSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C/C(=O)c1cccc(C)c1 101474760 573872793 /nfs/dbraw/zinc/87/27/93/573872793.db2.gz DLUNNPXUTDZTJK-HWKANZROSA-N 0 0 160.216 2.754 10 30 AFEERN C=CC[C@H](C)[C@@](O)(C(C)C)C1CC1 715038282 573872794 /nfs/dbraw/zinc/87/27/94/573872794.db2.gz HAVYIYNPQHUICE-JQWIXIFHSA-N 0 0 182.307 2.996 10 30 AFEERN C=CC[C@H]1CCC[C@@H](C(C)=O)C1 238165128 573872799 /nfs/dbraw/zinc/87/27/99/573872799.db2.gz MLJOSDDORYMQMM-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN O=CCC1=Cc2c(F)cccc2CC1 238550864 573872866 /nfs/dbraw/zinc/87/28/66/573872866.db2.gz MOQWEQPYBXZFRV-UHFFFAOYSA-N 0 0 190.217 2.744 10 30 AFEERN C=CC[C@@H](C)[C@@]1(O)CCCC12CC2 715038366 573872878 /nfs/dbraw/zinc/87/28/78/573872878.db2.gz HVGBNGWUSXJSBL-PWSUYJOCSA-N 0 0 180.291 2.894 10 30 AFEERN C=CC[C@@H](C)[C@]1(O)CCCC12CC2 715038370 573872894 /nfs/dbraw/zinc/87/28/94/573872894.db2.gz HVGBNGWUSXJSBL-ZYHUDNBSSA-N 0 0 180.291 2.894 10 30 AFEERN O=CCc1c[nH]c2cccc(Cl)c12 258169541 573873828 /nfs/dbraw/zinc/87/38/28/573873828.db2.gz MFFLIVUZQWIHDE-UHFFFAOYSA-N 0 0 193.633 2.563 10 30 AFEERN C=CC[C@@]1(F)CCCCCC1=O 238551290 573874030 /nfs/dbraw/zinc/87/40/30/573874030.db2.gz WLNKZQOTRRPPBQ-SNVBAGLBSA-N 0 0 170.227 2.804 10 30 AFEERN CC(C)C[C@@H]1[C@H](C=O)C1(C)C 238164195 573874233 /nfs/dbraw/zinc/87/42/33/573874233.db2.gz FPTZNDPEOJSRNC-BDAKNGLRSA-N 0 0 154.253 2.504 10 30 AFEERN COc1cccc([C@H]2C[C@@]2(C)C#N)c1 258977762 573874281 /nfs/dbraw/zinc/87/42/81/573874281.db2.gz JBZYNZXEOLZJBI-NEPJUHHUSA-N 0 0 187.242 2.712 10 30 AFEERN CC(=O)/C=C/[C@@H]1CCC[C@H](C)C1 80012199 573874339 /nfs/dbraw/zinc/87/43/39/573874339.db2.gz PNCFCNDLTOKAEV-BZGQNNPNSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)c1ccc(C)o1 715038324 573874353 /nfs/dbraw/zinc/87/43/53/573874353.db2.gz UYGSXPQEPJMDND-LDYMZIIASA-N 0 0 180.247 2.834 10 30 AFEERN C=CC[C@@H](C)[C@](C)(O)c1nccs1 715036482 573874375 /nfs/dbraw/zinc/87/43/75/573874375.db2.gz ODPPZNAHYHNLCQ-SCZZXKLOSA-N 0 0 197.303 2.563 10 30 AFEERN CC(C)(C)[C@]1(C)C=CC(=O)CC1 238165056 573874464 /nfs/dbraw/zinc/87/44/64/573874464.db2.gz CPVVWZDMVRUVKV-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@](C)([C@@H]1[NH2+]CCS1)C(C)(C)C 238163441 573874475 /nfs/dbraw/zinc/87/44/75/573874475.db2.gz CCJUIOANHZJGMI-KOLCDFICSA-N 0 0 199.363 2.887 10 30 AFEERN C/C=C/C(=O)c1cc(F)cc(F)c1 101472396 573874563 /nfs/dbraw/zinc/87/45/63/573874563.db2.gz AJGPZEHAXXMBLV-NSCUHMNNSA-N 0 0 182.169 2.724 10 30 AFEERN C=C[C@H]1C[C@@]1(C=O)c1ccc(C)cc1 238551491 573874885 /nfs/dbraw/zinc/87/48/85/573874885.db2.gz JHSRQHSQEDMNEX-AAEUAGOBSA-N 0 0 186.254 2.638 10 30 AFEERN CC(C)C[C@@]1(C)C=CC(=O)CC1 238164464 573874887 /nfs/dbraw/zinc/87/48/87/573874887.db2.gz WLUJUDQGIPXOIW-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H](C)[C@](C)(O)c1nccs1 715036485 573874893 /nfs/dbraw/zinc/87/48/93/573874893.db2.gz ODPPZNAHYHNLCQ-WPRPVWTQSA-N 0 0 197.303 2.563 10 30 AFEERN CC(C)=C[C@@H]1CC=C(C)C(=O)C1 238164093 573874932 /nfs/dbraw/zinc/87/49/32/573874932.db2.gz XIGFWFTWEJSBAF-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN N#CC[C@H]1CCc2c(F)cccc21 238552525 573874949 /nfs/dbraw/zinc/87/49/49/573874949.db2.gz PVHDWZVZTOPQPE-MRVPVSSYSA-N 0 0 175.206 2.769 10 30 AFEERN C#C[C@H](O)c1ccc(CC(C)C)cc1 87316685 573875337 /nfs/dbraw/zinc/87/53/37/573875337.db2.gz NXJPDNRMQRYVTQ-ZDUSSCGKSA-N 0 0 188.270 2.552 10 30 AFEERN C=CC[C@]1(C)CCC[C@H]1C(C)=O 238165019 573875397 /nfs/dbraw/zinc/87/53/97/573875397.db2.gz YPEQJJWDVVKJLM-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=C[C@@H]1CCCC[C@@H]1C=O 238164303 573875540 /nfs/dbraw/zinc/87/55/40/573875540.db2.gz VDLPHYCURXXFJF-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN CC=CC(=O)C1=CCCCC1 101511727 573875550 /nfs/dbraw/zinc/87/55/50/573875550.db2.gz VFRCAOMTFDESNU-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C[C@@H](CC=O)c1c[nH]c2ccccc12 80123448 573877168 /nfs/dbraw/zinc/87/71/68/573877168.db2.gz MLGJCWGLXXAKQX-VIFPVBQESA-N 0 0 187.242 2.860 10 30 AFEERN CC(=O)/C=C\[C@H]1CC=C(C)CC1 101745241 573877197 /nfs/dbraw/zinc/87/71/97/573877197.db2.gz CZXOJVNADDWURO-OFSNVTPPSA-N 0 0 164.248 2.878 10 30 AFEERN C=C1C(=O)CC(C)(C)CC1(C)C 238175909 573877212 /nfs/dbraw/zinc/87/72/12/573877212.db2.gz JATQJRVTJFJONF-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H](C)c1noc(C(C)(C)F)n1 306342345 573877294 /nfs/dbraw/zinc/87/72/94/573877294.db2.gz ZUGZAWDMOJXGFZ-ZCFIWIBFSA-N 0 0 184.214 2.564 10 30 AFEERN Cn1c(CS)cc2cc(F)ccc21 257895406 573877329 /nfs/dbraw/zinc/87/73/29/573877329.db2.gz AKQBOCPSJPZOFR-UHFFFAOYSA-N 0 0 195.262 2.747 10 30 AFEERN CCC#CC[C@H]1C(=O)CCC[C@H]1C 238176152 573877380 /nfs/dbraw/zinc/87/73/80/573877380.db2.gz CEJVLSDPHZJEOT-GHMZBOCLSA-N 0 0 178.275 2.795 10 30 AFEERN COc1c(C)cc(C)c(Cl)c1C#N 258170979 573877429 /nfs/dbraw/zinc/87/74/29/573877429.db2.gz VTDASQJMIHQZPE-UHFFFAOYSA-N 0 0 195.649 2.837 10 30 AFEERN Cc1ccc(C(C)(C)C#N)c(O)c1F 238552363 573877450 /nfs/dbraw/zinc/87/74/50/573877450.db2.gz PVARNJLXPJJEBB-UHFFFAOYSA-N 0 0 193.221 2.641 10 30 AFEERN C=C[C@@H]1C[C@@]1(C=O)c1ccc(C)cc1 238551501 573877466 /nfs/dbraw/zinc/87/74/66/573877466.db2.gz JHSRQHSQEDMNEX-YPMHNXCESA-N 0 0 186.254 2.638 10 30 AFEERN Cc1ccc(C(C)(C)C#N)c(F)c1 238552257 573877536 /nfs/dbraw/zinc/87/75/36/573877536.db2.gz ZKVZMWYIYIDELL-UHFFFAOYSA-N 0 0 177.222 2.935 10 30 AFEERN CC1=C(C)[C@H](C(C)C)[C@H](C)C1=O 238176525 573877719 /nfs/dbraw/zinc/87/77/19/573877719.db2.gz TZIITYRMRHZSMY-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(Cl)CCCC 80170654 573877774 /nfs/dbraw/zinc/87/77/74/573877774.db2.gz OQANCOWYULDETR-UHFFFAOYSA-N 0 0 118.607 2.929 10 30 AFEERN CCC#CC[C@H]1C(=O)CCC[C@@H]1C 238176050 573877859 /nfs/dbraw/zinc/87/78/59/573877859.db2.gz CEJVLSDPHZJEOT-WDEREUQCSA-N 0 0 178.275 2.795 10 30 AFEERN C=CC[C@@]1(C)CCC[C@H]1C(C)=O 238165560 573879231 /nfs/dbraw/zinc/87/92/31/573879231.db2.gz YPEQJJWDVVKJLM-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C)[C@H]([NH3+])c1ccccc1C#N 238175812 573879262 /nfs/dbraw/zinc/87/92/62/573879262.db2.gz PSVVQLWYKXZMMD-LLVKDONJSA-N 0 0 188.274 2.604 10 30 AFEERN C[C@H](CC=O)c1c[nH]c2ccccc12 80123454 573879293 /nfs/dbraw/zinc/87/92/93/573879293.db2.gz MLGJCWGLXXAKQX-SECBINFHSA-N 0 0 187.242 2.860 10 30 AFEERN CC(C)=C[C@@H]1[C@@H](CC=O)C1(C)C 238165721 573879459 /nfs/dbraw/zinc/87/94/59/573879459.db2.gz TVMAITZPFQIBDY-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1cc2cccc(C)n2c1CC#N 259624792 573879520 /nfs/dbraw/zinc/87/95/20/573879520.db2.gz HAFBWVCBHOBAAH-UHFFFAOYSA-N 0 0 184.242 2.622 10 30 AFEERN C=CC[C@H](C)[C@@H](O)CCC(C)C 715039334 573879521 /nfs/dbraw/zinc/87/95/21/573879521.db2.gz XUUNCLPCDPVJOX-QWRGUYRKSA-N 0 0 170.296 2.996 10 30 AFEERN CCCC(F)(F)CCC#N 258983217 573879580 /nfs/dbraw/zinc/87/95/80/573879580.db2.gz JYYXYDMNSGKUMO-UHFFFAOYSA-N 0 0 147.168 2.726 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)CCC(C)C 715039331 573879605 /nfs/dbraw/zinc/87/96/05/573879605.db2.gz XUUNCLPCDPVJOX-MNOVXSKESA-N 0 0 170.296 2.996 10 30 AFEERN CCc1nc([C@H](C#N)C(C)C)cs1 259217619 573879685 /nfs/dbraw/zinc/87/96/85/573879685.db2.gz IJVYSGUQFWTCIX-MRVPVSSYSA-N 0 0 194.303 2.969 10 30 AFEERN C#CC[C@@H](O)c1ccc(C)cc1Cl 235757087 573879698 /nfs/dbraw/zinc/87/96/98/573879698.db2.gz FDWUPGZRTZKSKI-LLVKDONJSA-N 0 0 194.661 2.705 10 30 AFEERN CN(CCCS)c1cccs1 258980373 573879797 /nfs/dbraw/zinc/87/97/97/573879797.db2.gz XYGQRSMPJBKDKA-UHFFFAOYSA-N 0 0 187.333 2.504 10 30 AFEERN CC(C)(C)[C@H](O)C#CC1CCCCC1 238178174 573880374 /nfs/dbraw/zinc/88/03/74/573880374.db2.gz FKYMFGMFWOSQBC-GFCCVEGCSA-N 0 0 194.318 2.977 10 30 AFEERN C=CC[C@H](C)[C@](C)(O)C1(Cl)CC1 715039152 573880730 /nfs/dbraw/zinc/88/07/30/573880730.db2.gz WYLWDZNIOKDSEK-IUCAKERBSA-N 0 0 188.698 2.721 10 30 AFEERN CCCc1nc(C(C)(C)C#N)cs1 259217534 573880863 /nfs/dbraw/zinc/88/08/63/573880863.db2.gz IIUSDTONYNUEPR-UHFFFAOYSA-N 0 0 194.303 2.897 10 30 AFEERN CC(C)(C=O)C1Cc2ccccc2C1 257891906 573880903 /nfs/dbraw/zinc/88/09/03/573880903.db2.gz XIDKYUWHLLBIEK-UHFFFAOYSA-N 0 0 188.270 2.627 10 30 AFEERN CCC1(C(=O)[C@@H](C)C#N)CCCC1 87316768 573881002 /nfs/dbraw/zinc/88/10/02/573881002.db2.gz PPSHBRAXVUCNFW-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN N#CCc1nc(C2CCCCC2)c[nH]1 238553801 573881040 /nfs/dbraw/zinc/88/10/40/573881040.db2.gz GDVNATLBFLNAHH-UHFFFAOYSA-N 0 0 189.262 2.523 10 30 AFEERN CCC/C=C\CCCC=O 80077021 573881069 /nfs/dbraw/zinc/88/10/69/573881069.db2.gz OIYLDISFBUJSNS-PLNGDYQASA-N 0 0 140.226 2.712 10 30 AFEERN CC1=C[C@@H]2CC(=O)C=C[C@]2(C)CC1 238177987 573883913 /nfs/dbraw/zinc/88/39/13/573883913.db2.gz AGUAUYRVSNRJPA-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)(C)[C@H](O)CC#CC1CCCC1 238178914 573883929 /nfs/dbraw/zinc/88/39/29/573883929.db2.gz WRIUEJCSILMPFG-GFCCVEGCSA-N 0 0 194.318 2.977 10 30 AFEERN CCC#C[C@]1([Si](C)(C)C)C[C@@H]1C=O 238178866 573883414 /nfs/dbraw/zinc/88/34/14/573883414.db2.gz ZKOMBGQACIWBPD-MNOVXSKESA-N 0 0 194.350 2.697 10 30 AFEERN Cc1ccc([C@H]2CCC(=O)C2)cc1C#N 238535569 573883416 /nfs/dbraw/zinc/88/34/16/573883416.db2.gz RLNYDTWPRVGHET-NSHDSACASA-N 0 0 199.253 2.703 10 30 AFEERN CCC#C[C@]1([Si](C)(C)C)C[C@H]1C=O 238178887 573883512 /nfs/dbraw/zinc/88/35/12/573883512.db2.gz ZKOMBGQACIWBPD-QWRGUYRKSA-N 0 0 194.350 2.697 10 30 AFEERN CC[C@H](C#N)C(=O)C1(C)CCCC1 87316775 573883718 /nfs/dbraw/zinc/88/37/18/573883718.db2.gz BTTNKZGRGGDJAR-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN C=C[C@@H]1C[C@@H]1C1=CC(=O)CC1(C)C 238178747 573883780 /nfs/dbraw/zinc/88/37/80/573883780.db2.gz OYDCFDQVEAXWET-SCZZXKLOSA-N 0 0 176.259 2.734 10 30 AFEERN C=C[C@@H]1C[C@H]1C1=CC(=O)CC1(C)C 238178697 573883791 /nfs/dbraw/zinc/88/37/91/573883791.db2.gz OYDCFDQVEAXWET-PSASIEDQSA-N 0 0 176.259 2.734 10 30 AFEERN SCCC1CCCCC1 84426426 573885433 /nfs/dbraw/zinc/88/54/33/573885433.db2.gz YXDGZCLTJURFAT-UHFFFAOYSA-N 0 0 144.283 2.887 10 30 AFEERN CC1CCC2(C=CC(=O)C2)CC1 238179943 573885626 /nfs/dbraw/zinc/88/56/26/573885626.db2.gz GJVRDIPQJQKARU-UHFFFAOYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)[C@@H](/C=C(\C)CC)CO 238179913 573885708 /nfs/dbraw/zinc/88/57/08/573885708.db2.gz BQBUSRYBEZVQOE-ZKXNXJMVSA-N 0 0 154.253 2.527 10 30 AFEERN CC(C)=Nc1c[nH]c(=S)s1 238179261 573885789 /nfs/dbraw/zinc/88/57/89/573885789.db2.gz JZOLUWOBGRIRQA-UHFFFAOYSA-N 0 0 172.278 2.918 10 30 AFEERN Nc1cccc2cc(CS)sc12 257892761 573885868 /nfs/dbraw/zinc/88/58/68/573885868.db2.gz MSYOJCWKGFIGNB-UHFFFAOYSA-N 0 0 195.312 2.913 10 30 AFEERN SCc1nc(C2CCCCC2)c[nH]1 258984018 573885884 /nfs/dbraw/zinc/88/58/84/573885884.db2.gz AFLMXDHWWVVILE-UHFFFAOYSA-N 0 0 196.319 2.887 10 30 AFEERN C#C[C@H](O)C1=C(C(=C)CC)CCCC1 238182221 573889471 /nfs/dbraw/zinc/88/94/71/573889471.db2.gz JFCUDZJOFSTCDG-ZDUSSCGKSA-N 0 0 190.286 2.817 10 30 AFEERN Cc1cc(O)cc([C@H](C)CC=O)c1F 258173920 573889722 /nfs/dbraw/zinc/88/97/22/573889722.db2.gz WDOKIFHFKHAGHA-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN C=CC[C@@H](C)[C@H](O)c1ccc(C)cn1 715048222 573889916 /nfs/dbraw/zinc/88/99/16/573889916.db2.gz WMDAKDZAHLTCJK-PWSUYJOCSA-N 0 0 191.274 2.636 10 30 AFEERN C=C(CC)CC(=O)Nc1ccccc1 238182385 573893852 /nfs/dbraw/zinc/89/38/52/573893852.db2.gz MKKGLLWRHNMBAE-UHFFFAOYSA-N 0 0 189.258 2.981 10 30 AFEERN COc1c(C)cc(C)cc1NCS 258990322 573893198 /nfs/dbraw/zinc/89/31/98/573893198.db2.gz XITYKEOGYMTZKD-UHFFFAOYSA-N 0 0 197.303 2.611 10 30 AFEERN C=CC[C@H](C)[C@H](O)c1ccc(C)cn1 715048202 573893243 /nfs/dbraw/zinc/89/32/43/573893243.db2.gz WMDAKDZAHLTCJK-JQWIXIFHSA-N 0 0 191.274 2.636 10 30 AFEERN O=C1C=CS[C@@H]1c1ccccc1 197112796 573893247 /nfs/dbraw/zinc/89/32/47/573893247.db2.gz SJSLAJTYTFYYQB-SNVBAGLBSA-N 0 0 176.240 2.557 10 30 AFEERN CC(C)=C1Nc2ccccc2C1=O 238180682 573893264 /nfs/dbraw/zinc/89/32/64/573893264.db2.gz HIHNIKCZIXTWRD-UHFFFAOYSA-N 0 0 173.215 2.589 10 30 AFEERN C=C(C)[C@@](C)(C#CC(C)C)[C@@H](C)O 238182038 573893303 /nfs/dbraw/zinc/89/33/03/573893303.db2.gz BMYZRPCNUQATTH-VXGBXAGGSA-N 0 0 180.291 2.609 10 30 AFEERN CCCCCCCC[C@@H](C)NN 144971186 573893406 /nfs/dbraw/zinc/89/34/06/573893406.db2.gz XRRBOVAKAFTPPZ-SNVBAGLBSA-N 0 0 172.316 2.589 10 30 AFEERN Cc1ccc([C@@H](N)CC#N)c(C)c1C 258988354 573893436 /nfs/dbraw/zinc/89/34/36/573893436.db2.gz FRAKRNVGRDZXPT-LBPRGKRZSA-N 0 0 188.274 2.525 10 30 AFEERN CC(C)=C1SC(=C(C)C)C1=O 238180498 573893557 /nfs/dbraw/zinc/89/35/57/573893557.db2.gz PUEPYLSRYYTQBF-UHFFFAOYSA-N 0 0 168.261 2.890 10 30 AFEERN O=CCc1ccc(Cl)cc1C1CC1 238563518 573893768 /nfs/dbraw/zinc/89/37/68/573893768.db2.gz VIJHUHZVEWVYTE-UHFFFAOYSA-N 0 0 194.661 2.959 10 30 AFEERN C#CCCC(=O)c1c(C)cccc1C 235763967 573894956 /nfs/dbraw/zinc/89/49/56/573894956.db2.gz ZIXFILIZVCOQIH-UHFFFAOYSA-N 0 0 186.254 2.900 10 30 AFEERN CC(C)[C@H](C#N)c1nc2ccccc2[nH]1 259578582 573894991 /nfs/dbraw/zinc/89/49/91/573894991.db2.gz VMUNJEWMOQSMKV-VIFPVBQESA-N 0 0 199.257 2.826 10 30 AFEERN CC#CC[NH2+][C@H](C)c1ccc(CC)o1 131603741 573895043 /nfs/dbraw/zinc/89/50/43/573895043.db2.gz CTGFJMLFPFUXSU-SNVBAGLBSA-N 0 0 191.274 2.516 10 30 AFEERN CC[C@H](C#N)c1nc(C(C)(C)C)c[nH]1 258991492 573895226 /nfs/dbraw/zinc/89/52/26/573895226.db2.gz BDMBBXSSDJASAW-MRVPVSSYSA-N 0 0 191.278 2.724 10 30 AFEERN CC#CC[NH2+][C@@H]1CCc2cc(C)ccc21 131622997 573895339 /nfs/dbraw/zinc/89/53/39/573895339.db2.gz BZJPMAKCTFWLJP-CQSZACIVSA-N 0 0 199.297 2.595 10 30 AFEERN Cc1ccc(-c2oncc2C#N)cc1 84448394 573895465 /nfs/dbraw/zinc/89/54/65/573895465.db2.gz ILQLVMKZTRAZNU-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN Cc1ccc(C)c([C@@H](O)CCS)c1 259223939 573895574 /nfs/dbraw/zinc/89/55/74/573895574.db2.gz RRMJAAXVDJOLJQ-NSHDSACASA-N 0 0 196.315 2.657 10 30 AFEERN COc1c(C)cc(CS)cc1C 84447566 573895787 /nfs/dbraw/zinc/89/57/87/573895787.db2.gz LPVCCNNBLKBZSU-UHFFFAOYSA-N 0 0 182.288 2.742 10 30 AFEERN CC#CC[NH2+][C@H]1CCc2cc(C)ccc21 131623173 573895673 /nfs/dbraw/zinc/89/56/73/573895673.db2.gz BZJPMAKCTFWLJP-AWEZNQCLSA-N 0 0 199.297 2.595 10 30 AFEERN CC(C)[C@@H](C#N)c1nc2ccccc2[nH]1 259578581 573896734 /nfs/dbraw/zinc/89/67/34/573896734.db2.gz VMUNJEWMOQSMKV-SECBINFHSA-N 0 0 199.257 2.826 10 30 AFEERN C=C1Oc2ccccc2NC1(C)C 238174697 573896280 /nfs/dbraw/zinc/89/62/80/573896280.db2.gz QBTIFAVPKWZISG-UHFFFAOYSA-N 0 0 175.231 2.783 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)CCC1CC1 715052034 573896345 /nfs/dbraw/zinc/89/63/45/573896345.db2.gz GSKVRJTVUBJUDQ-KOLCDFICSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1ccc(C)c([C@H](O)CCS)c1 259223936 573896592 /nfs/dbraw/zinc/89/65/92/573896592.db2.gz RRMJAAXVDJOLJQ-LLVKDONJSA-N 0 0 196.315 2.657 10 30 AFEERN CC1([C@@](C)(O)C2(C#N)CCCC2)CC1 87369183 573897753 /nfs/dbraw/zinc/89/77/53/573897753.db2.gz UYCMEKFSPWJYLK-LLVKDONJSA-N 0 0 193.290 2.621 10 30 AFEERN Cc1cc([C@H]2O[C@@H]2C)ccc1F 259228243 573897754 /nfs/dbraw/zinc/89/77/54/573897754.db2.gz JORKQXQQPQIGJP-XCBNKYQSSA-N 0 0 166.195 2.594 10 30 AFEERN C[C@H]1C/C(=N\O)CC(C)(C)C1 102277626 573897821 /nfs/dbraw/zinc/89/78/21/573897821.db2.gz SBIKADHZIPDOHC-IVJKGPJYSA-N 0 0 155.241 2.663 10 30 AFEERN C=C1CC(C)(C)CC(C)(C)[C@@H]1O 238175043 573897870 /nfs/dbraw/zinc/89/78/70/573897870.db2.gz ITXUOWORJUSPMI-SECBINFHSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1cc2cc(C#N)c(C#N)cc2s1 306769564 573897886 /nfs/dbraw/zinc/89/78/86/573897886.db2.gz FNVFYTBNJSWPPM-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C=CC[C@@H](C)[C@H](O)CCC1CC1 715052038 573898009 /nfs/dbraw/zinc/89/80/09/573898009.db2.gz GSKVRJTVUBJUDQ-MWLCHTKSSA-N 0 0 168.280 2.750 10 30 AFEERN CC1(C)C[C@@]1(C#N)c1ccccc1 76598694 573898142 /nfs/dbraw/zinc/89/81/42/573898142.db2.gz ZRJXCOVHFOLZDE-GFCCVEGCSA-N 0 0 171.243 2.878 10 30 AFEERN CC1([C@](C)(O)C2(C#N)CCCC2)CC1 87369181 573898148 /nfs/dbraw/zinc/89/81/48/573898148.db2.gz UYCMEKFSPWJYLK-NSHDSACASA-N 0 0 193.290 2.621 10 30 AFEERN Cc1cc([C@@H]2O[C@@H]2C)ccc1F 259228232 573898213 /nfs/dbraw/zinc/89/82/13/573898213.db2.gz JORKQXQQPQIGJP-GMSGAONNSA-N 0 0 166.195 2.594 10 30 AFEERN N#Cc1cnoc1C1CCCCC1 84444366 573898308 /nfs/dbraw/zinc/89/83/08/573898308.db2.gz SWCMWJYVEDDUMQ-UHFFFAOYSA-N 0 0 176.219 2.594 10 30 AFEERN Cc1cc(C)c(C(=O)CS)cc1C 259224209 573898348 /nfs/dbraw/zinc/89/83/48/573898348.db2.gz OJUSXZUYMWEOMK-UHFFFAOYSA-N 0 0 194.299 2.724 10 30 AFEERN SCCc1nc(C2CCCC2)c[nH]1 259227294 573898466 /nfs/dbraw/zinc/89/84/66/573898466.db2.gz ZXVQNRQMVWMGCM-UHFFFAOYSA-N 0 0 196.319 2.540 10 30 AFEERN N#CC1(c2cc3cccc(O)c3o2)CC1 259583605 573900235 /nfs/dbraw/zinc/90/02/35/573900235.db2.gz KMOHFLUFMARXBH-UHFFFAOYSA-N 0 0 199.209 2.694 10 30 AFEERN Cc1cc(Cl)ccc1[C@H](O)CC#N 235765915 573900312 /nfs/dbraw/zinc/90/03/12/573900312.db2.gz FLKFZOQXBBVGGE-SNVBAGLBSA-N 0 0 195.649 2.596 10 30 AFEERN CC[C@@H]1[C@H](C#N)C12CCCC2 259583856 573900352 /nfs/dbraw/zinc/90/03/52/573900352.db2.gz KOLKLTFFPSESTR-BDAKNGLRSA-N 0 0 149.237 2.726 10 30 AFEERN O=C[C@H](F)CC1CCCCCC1 257902717 573900405 /nfs/dbraw/zinc/90/04/05/573900405.db2.gz PDEYGHWYRZTJTO-SNVBAGLBSA-N 0 0 172.243 2.884 10 30 AFEERN COc1ccc(C)cc1[C@@H]1C[C@@H]1C#N 259229908 573900467 /nfs/dbraw/zinc/90/04/67/573900467.db2.gz RZBXQMNNPYWFPE-NXEZZACHSA-N 0 0 187.242 2.631 10 30 AFEERN CC1([C@@](C)(C#N)N2CCCCC2)CC1 87366460 573900578 /nfs/dbraw/zinc/90/05/78/573900578.db2.gz JKJXJOZPWVDASH-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN C=CCCC(=O)CCCC 80498985 573900817 /nfs/dbraw/zinc/90/08/17/573900817.db2.gz PNSHZSUPEWYGEX-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN Cc1cc(SCC#N)ccc1F 258992132 573900876 /nfs/dbraw/zinc/90/08/76/573900876.db2.gz GBQNUXGEGFJKLN-UHFFFAOYSA-N 0 0 181.235 2.750 10 30 AFEERN CC[C@@H]1[C@@H](C#N)C12CCCC2 259583867 573902147 /nfs/dbraw/zinc/90/21/47/573902147.db2.gz KOLKLTFFPSESTR-RKDXNWHRSA-N 0 0 149.237 2.726 10 30 AFEERN C=C[C@@H](C)C(C)(C)C(=O)CC 238190343 573902160 /nfs/dbraw/zinc/90/21/60/573902160.db2.gz KBWIEFLOAJEOAM-MRVPVSSYSA-N 0 0 154.253 2.814 10 30 AFEERN COc1ccc(C)cc1[C@@H]1C[C@H]1C#N 259229913 573902197 /nfs/dbraw/zinc/90/21/97/573902197.db2.gz RZBXQMNNPYWFPE-VHSXEESVSA-N 0 0 187.242 2.631 10 30 AFEERN CCc1ccc2c(C#N)c[nH]c2c1 150159655 573902321 /nfs/dbraw/zinc/90/23/21/573902321.db2.gz GDYQHMSJRANFGV-UHFFFAOYSA-N 0 0 170.215 2.602 10 30 AFEERN Cc1csc(CC(C)(C)C#N)n1 87398135 573902440 /nfs/dbraw/zinc/90/24/40/573902440.db2.gz XFEGEDFFTPROFS-UHFFFAOYSA-N 0 0 180.276 2.544 10 30 AFEERN Cc1csc(CC2(C#N)CCC2)n1 87398150 573904206 /nfs/dbraw/zinc/90/42/06/573904206.db2.gz CRHPBRKOQMAZSZ-UHFFFAOYSA-N 0 0 192.287 2.688 10 30 AFEERN CC(C)(C)c1csc(CCC#N)n1 87395775 573904219 /nfs/dbraw/zinc/90/42/19/573904219.db2.gz RAEYRQMCJRXXNF-UHFFFAOYSA-N 0 0 194.303 2.897 10 30 AFEERN C=C(CC)C[C@H]([NH3+])c1ccc(C)o1 131554951 573904222 /nfs/dbraw/zinc/90/42/22/573904222.db2.gz NOTNEQVSKRTBMU-JTQLQIEISA-N 0 0 179.263 2.944 10 30 AFEERN CCC(=O)C1=CCC[C@@H](C)C1 238192176 573904224 /nfs/dbraw/zinc/90/42/24/573904224.db2.gz NFQXBHFSSPZORF-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@H](C)[C@@]1(O)CCO[C@H](CC)C1 715056963 573904334 /nfs/dbraw/zinc/90/43/34/573904334.db2.gz DMKORVMDJOXHCE-QJPTWQEYSA-N 0 0 198.306 2.519 10 30 AFEERN C=C1c2ccccc2C(=O)C1(C)C 238191570 573904373 /nfs/dbraw/zinc/90/43/73/573904373.db2.gz KFUVFHRUFMICSM-UHFFFAOYSA-N 0 0 172.227 2.922 10 30 AFEERN CC1(C)CC=CC(=O)C1(C)C 238191307 573904423 /nfs/dbraw/zinc/90/44/23/573904423.db2.gz CFLANTFWNZWKTK-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN CCC(=O)C1=CCC[C@H](C)C1 238192213 573904464 /nfs/dbraw/zinc/90/44/64/573904464.db2.gz NFQXBHFSSPZORF-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN C/C=C\C(=O)c1cncc2ccccc12 308779962 573904505 /nfs/dbraw/zinc/90/45/05/573904505.db2.gz HCJCUNPWXWUZDJ-DJWKRKHSSA-N 0 0 197.237 2.994 10 30 AFEERN CCC(=O)C1=CC[C@H]2C[C@@H]1C2(C)C 238192601 573904540 /nfs/dbraw/zinc/90/45/40/573904540.db2.gz HTHCKIKDJZNAGW-WPRPVWTQSA-N 0 0 178.275 2.958 10 30 AFEERN CCC(=O)C1=C[C@@H](C)CCC1 238192728 573904554 /nfs/dbraw/zinc/90/45/54/573904554.db2.gz DSPHOVZAFYZJSD-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)C1(CC)CC1 715056487 573904557 /nfs/dbraw/zinc/90/45/57/573904557.db2.gz CKTJDKOPHZPLBZ-NXEZZACHSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(CC)C[C@@H](NCC)C(F)(F)F 131569226 573904679 /nfs/dbraw/zinc/90/46/79/573904679.db2.gz LFPGNTDSLMZOHB-MRVPVSSYSA-N 0 0 195.228 2.883 10 30 AFEERN CCC[C@@H](CC#N)[C@H](C)F 258451754 573904735 /nfs/dbraw/zinc/90/47/35/573904735.db2.gz GCBOYWBJQCBLHF-YUMQZZPRSA-N 0 0 143.205 2.674 10 30 AFEERN C=CC[C@H](C)Nn1c(C)ccc1C 715055667 573904740 /nfs/dbraw/zinc/90/47/40/573904740.db2.gz YCWFPYJKMMGYDU-VIFPVBQESA-N 0 0 178.279 2.613 10 30 AFEERN C=CC[C@@H](C)Oc1ccc(N)cc1 715055964 573904753 /nfs/dbraw/zinc/90/47/53/573904753.db2.gz ABDWPKFTTQWNLQ-SECBINFHSA-N 0 0 177.247 2.612 10 30 AFEERN Cc1nc(CC(C)(C)C#N)sc1C 87398133 573904774 /nfs/dbraw/zinc/90/47/74/573904774.db2.gz BQARGUQTCINKIG-UHFFFAOYSA-N 0 0 194.303 2.852 10 30 AFEERN CC(C)(C#N)Oc1ccc(F)c(F)c1 259584349 573904838 /nfs/dbraw/zinc/90/48/38/573904838.db2.gz OZHRNILPZDRZIJ-UHFFFAOYSA-N 0 0 197.184 2.646 10 30 AFEERN CCC[C@@H](CC#N)[C@@H](C)F 258451750 573904866 /nfs/dbraw/zinc/90/48/66/573904866.db2.gz GCBOYWBJQCBLHF-SFYZADRCSA-N 0 0 143.205 2.674 10 30 AFEERN C#CC[C@]1(C)C=CCC(C)(C)C1=O 238192081 573904876 /nfs/dbraw/zinc/90/48/76/573904876.db2.gz QTHKUBRXTHPAKJ-GFCCVEGCSA-N 0 0 176.259 2.571 10 30 AFEERN CCC[C@H](CC#N)[C@@H](C)F 258451744 573906068 /nfs/dbraw/zinc/90/60/68/573906068.db2.gz GCBOYWBJQCBLHF-HTQZYQBOSA-N 0 0 143.205 2.674 10 30 AFEERN C=CC[C@H](C)[C@@]1(O)CCO[C@@H](CC)C1 715056965 573906226 /nfs/dbraw/zinc/90/62/26/573906226.db2.gz DMKORVMDJOXHCE-SDDRHHMPSA-N 0 0 198.306 2.519 10 30 AFEERN C=CCCNc1cccc(C)c1N 235783801 573906275 /nfs/dbraw/zinc/90/62/75/573906275.db2.gz MLLCALFBZFHFKH-UHFFFAOYSA-N 0 0 176.263 2.565 10 30 AFEERN CC(C)(C)[C@H]1C[C@@]1(C)C#N 259001446 573906349 /nfs/dbraw/zinc/90/63/49/573906349.db2.gz MTZMLFLJHFMURW-APPZFPTMSA-N 0 0 137.226 2.582 10 30 AFEERN C=CC[C@H](C)Oc1ccc(N)cc1C 715056919 573906385 /nfs/dbraw/zinc/90/63/85/573906385.db2.gz CYSJSBYJWHECQK-JTQLQIEISA-N 0 0 191.274 2.921 10 30 AFEERN C=CCCNc1cccc(C)c1C#N 235783762 573906411 /nfs/dbraw/zinc/90/64/11/573906411.db2.gz ZEYPRFKTFOOXET-UHFFFAOYSA-N 0 0 186.258 2.855 10 30 AFEERN C=CC[C@H](C)Oc1ccc(N)cc1 715055965 573906443 /nfs/dbraw/zinc/90/64/43/573906443.db2.gz ABDWPKFTTQWNLQ-VIFPVBQESA-N 0 0 177.247 2.612 10 30 AFEERN C[C@]1(c2ccccc2F)C[C@H]1C#N 259001472 573906681 /nfs/dbraw/zinc/90/66/81/573906681.db2.gz MUTTUKZCIFALDR-KWQFWETISA-N 0 0 175.206 2.627 10 30 AFEERN C=CC[C@@H]1C(=O)CCC1(C)C 238194833 573908419 /nfs/dbraw/zinc/90/84/19/573908419.db2.gz YLVXKSMHUUNGDF-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccncc1C(=O)C1=CCCC1 235799659 573908426 /nfs/dbraw/zinc/90/84/26/573908426.db2.gz SNJADUQXYLMXKL-UHFFFAOYSA-N 0 0 187.242 2.683 10 30 AFEERN C=CC(C)(C)CC(=O)CC 238194555 573908440 /nfs/dbraw/zinc/90/84/40/573908440.db2.gz USCHTFGICOJIRT-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN CC(C)(C)[C@@H]1C[C@]1(C)C#N 259001448 573908474 /nfs/dbraw/zinc/90/84/74/573908474.db2.gz MTZMLFLJHFMURW-IONNQARKSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@]1(c2ccccc2F)C[C@@H]1C#N 259001471 573908506 /nfs/dbraw/zinc/90/85/06/573908506.db2.gz MUTTUKZCIFALDR-KCJUWKMLSA-N 0 0 175.206 2.627 10 30 AFEERN C=CC[C@@H](C)OCc1ccc(N)cc1 715058392 573908545 /nfs/dbraw/zinc/90/85/45/573908545.db2.gz PHROMURRFXDLIP-SNVBAGLBSA-N 0 0 191.274 2.750 10 30 AFEERN CCC(C)(C)[C@@H]1C=CC(=O)CC1 238194205 573908566 /nfs/dbraw/zinc/90/85/66/573908566.db2.gz UBWRALJNJAUBQO-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CCC(=O)C1=C[C@H]2CC[C@@H](C1)C2 238193401 573908704 /nfs/dbraw/zinc/90/87/04/573908704.db2.gz VKMBTDFCIOXHEA-DTWKUNHWSA-N 0 0 164.248 2.712 10 30 AFEERN CCC(=O)C1=C2CCC[C@H]2CC1 238193331 573908731 /nfs/dbraw/zinc/90/87/31/573908731.db2.gz PLRCPJIOPQWCBG-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C=C1C[C@H]2[C@H]1C(=O)CCC2(C)C 238194458 573908813 /nfs/dbraw/zinc/90/88/13/573908813.db2.gz UQQALXIPKTUGPF-WPRPVWTQSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1ccc(C(C)C)cc1[C@@H](N)C#N 259001518 573908868 /nfs/dbraw/zinc/90/88/68/573908868.db2.gz GUSVZNSDWWVODS-LBPRGKRZSA-N 0 0 188.274 2.642 10 30 AFEERN CC1=C(C)[C@H]2CC[C@](C)(C2)C1=O 238194728 573908881 /nfs/dbraw/zinc/90/88/81/573908881.db2.gz QBCQTZHOXXSXTE-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@H](C)N[C@@H](C#N)c1cccs1 41672097 573908974 /nfs/dbraw/zinc/90/89/74/573908974.db2.gz JDTQEWYOWUQIEQ-IUCAKERBSA-N 0 0 194.303 2.701 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)c1ccoc1C 715058390 573908987 /nfs/dbraw/zinc/90/89/87/573908987.db2.gz PGNGSYMFXYJDQM-LDYMZIIASA-N 0 0 180.247 2.834 10 30 AFEERN C=C1c2ccccc2NC(=O)C1(C)C 238194624 573909015 /nfs/dbraw/zinc/90/90/15/573909015.db2.gz PJIGWZZQIPJODB-UHFFFAOYSA-N 0 0 187.242 2.678 10 30 AFEERN C=C1C[C@@H]2[C@@H]1C(=O)CCC2(C)C 238194895 573909156 /nfs/dbraw/zinc/90/91/56/573909156.db2.gz UQQALXIPKTUGPF-PSASIEDQSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)(C)[C@@H]1C[C@@]1(C)C#N 259001447 573909950 /nfs/dbraw/zinc/90/99/50/573909950.db2.gz MTZMLFLJHFMURW-CBAPKCEASA-N 0 0 137.226 2.582 10 30 AFEERN CCCCCCC(=O)C1=C[C@@H](O)CC1 238195441 573909970 /nfs/dbraw/zinc/90/99/70/573909970.db2.gz ZEGSNPOFUBVYJG-NSHDSACASA-N 0 0 196.290 2.607 10 30 AFEERN C=C[C@H](O)c1scc(C)c1Cl 235794887 573909983 /nfs/dbraw/zinc/90/99/83/573909983.db2.gz FWXZPLBEKPLBLZ-LURJTMIESA-N 0 0 188.679 2.929 10 30 AFEERN C=CC[C@@H](C)[C@H](O)c1ccoc1C 715058388 573910261 /nfs/dbraw/zinc/91/02/61/573910261.db2.gz PGNGSYMFXYJDQM-KCJUWKMLSA-N 0 0 180.247 2.834 10 30 AFEERN CC(C)(C)[C@H]1C[C@]1(C)C#N 259001449 573910338 /nfs/dbraw/zinc/91/03/38/573910338.db2.gz MTZMLFLJHFMURW-VXNVDRBHSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@@]1(c2ccccc2F)C[C@H]1C#N 259001470 573910400 /nfs/dbraw/zinc/91/04/00/573910400.db2.gz MUTTUKZCIFALDR-GZMMTYOYSA-N 0 0 175.206 2.627 10 30 AFEERN C=C[C@@H](O)c1scc(C)c1Cl 235796329 573910418 /nfs/dbraw/zinc/91/04/18/573910418.db2.gz FWXZPLBEKPLBLZ-ZCFIWIBFSA-N 0 0 188.679 2.929 10 30 AFEERN Cc1ccc(C(C)C)cc1[C@H](N)C#N 259001516 573910599 /nfs/dbraw/zinc/91/05/99/573910599.db2.gz GUSVZNSDWWVODS-GFCCVEGCSA-N 0 0 188.274 2.642 10 30 AFEERN C=CC[C@H](C)Oc1cc(N)ccc1C 715057677 573910781 /nfs/dbraw/zinc/91/07/81/573910781.db2.gz ILMGKCIOYWYCTH-JTQLQIEISA-N 0 0 191.274 2.921 10 30 AFEERN COc1c(F)cc([C@@H](C)F)cc1C#N 258179007 573910930 /nfs/dbraw/zinc/91/09/30/573910930.db2.gz WKAVCIWWROMVQP-ZCFIWIBFSA-N 0 0 197.184 2.736 10 30 AFEERN Cc1cc(Cl)ccc1C#CC#N 235796287 573910967 /nfs/dbraw/zinc/91/09/67/573910967.db2.gz CMCUSGUZRSRCEE-UHFFFAOYSA-N 0 0 175.618 2.524 10 30 AFEERN COc1c(F)cc([C@H](C)F)cc1C#N 258179005 573910991 /nfs/dbraw/zinc/91/09/91/573910991.db2.gz WKAVCIWWROMVQP-LURJTMIESA-N 0 0 197.184 2.736 10 30 AFEERN Cc1ccc(C)c(N(C)CS)c1 259002203 573911154 /nfs/dbraw/zinc/91/11/54/573911154.db2.gz ZBLAMRDTIRMQSU-UHFFFAOYSA-N 0 0 181.304 2.627 10 30 AFEERN C=CC[C@H](C)Oc1ccc(C)c(N)c1 715057737 573911233 /nfs/dbraw/zinc/91/12/33/573911233.db2.gz JGMGOWDJAJJJJM-JTQLQIEISA-N 0 0 191.274 2.921 10 30 AFEERN O=CCC(F)(F)C1CCCCC1 257896722 573911244 /nfs/dbraw/zinc/91/12/44/573911244.db2.gz OHAMJXWJUYRWBG-UHFFFAOYSA-N 0 0 176.206 2.791 10 30 AFEERN C=C(C)[C@](C)(C#CC(C)C)[C@@H](C)O 238182500 573911309 /nfs/dbraw/zinc/91/13/09/573911309.db2.gz BMYZRPCNUQATTH-NEPJUHHUSA-N 0 0 180.291 2.609 10 30 AFEERN C=CC[C@@H]1CCC[C@]1(C)C(C)=O 238183146 573911447 /nfs/dbraw/zinc/91/14/47/573911447.db2.gz GTOPHIINFPUJPF-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@](C)(C#CC(C)C)[C@H](C)O 238182518 573911486 /nfs/dbraw/zinc/91/14/86/573911486.db2.gz BMYZRPCNUQATTH-RYUDHWBXSA-N 0 0 180.291 2.609 10 30 AFEERN C=C(CC)[C@@H](O)c1ccccc1C 238183960 573911490 /nfs/dbraw/zinc/91/14/90/573911490.db2.gz YEHRQRCUEWUOLP-GFCCVEGCSA-N 0 0 176.259 2.995 10 30 AFEERN N#CCCCCOCCC(F)(F)F 131653271 573912801 /nfs/dbraw/zinc/91/28/01/573912801.db2.gz GNVLZIXSNMKEPG-UHFFFAOYSA-N 0 0 195.184 2.649 10 30 AFEERN C=C(CC)NC(=O)Nc1ccccc1 238183200 573912860 /nfs/dbraw/zinc/91/28/60/573912860.db2.gz IIMBCTAPHUPOTA-UHFFFAOYSA-N 0 0 190.246 2.732 10 30 AFEERN C=CC[C@H](C)[C@H](O)c1ccoc1C 715058389 573912973 /nfs/dbraw/zinc/91/29/73/573912973.db2.gz PGNGSYMFXYJDQM-KWQFWETISA-N 0 0 180.247 2.834 10 30 AFEERN C=CC[C@@H](C)Oc1ccc(N)cc1F 715057882 573912983 /nfs/dbraw/zinc/91/29/83/573912983.db2.gz LEFAHHOASNMDTQ-MRVPVSSYSA-N 0 0 195.237 2.751 10 30 AFEERN Cc1ccc(C)c([C@@H]2C[C@H]2C#N)c1 259002888 573913101 /nfs/dbraw/zinc/91/31/01/573913101.db2.gz BNFUGZREPCYSPB-CMPLNLGQSA-N 0 0 171.243 2.931 10 30 AFEERN CC(=O)[C@@]1(C)CC[C@H](C#N)C1(C)C 238183246 573913117 /nfs/dbraw/zinc/91/31/17/573913117.db2.gz YQJUGKRTCYAJIM-MWLCHTKSSA-N 0 0 179.263 2.541 10 30 AFEERN C=C(C(=O)C(C)(C)C)C(C)C 238183376 573913148 /nfs/dbraw/zinc/91/31/48/573913148.db2.gz IKYYVCOXPNVRRV-UHFFFAOYSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)[C@@H](C#N)c1ccc2[nH]cnc2c1 259237754 573913162 /nfs/dbraw/zinc/91/31/62/573913162.db2.gz MZURQTOQTORXER-SNVBAGLBSA-N 0 0 199.257 2.826 10 30 AFEERN Cc1ccc(C)c([C@H]2C[C@H]2C#N)c1 259002890 573913199 /nfs/dbraw/zinc/91/31/99/573913199.db2.gz BNFUGZREPCYSPB-JQWIXIFHSA-N 0 0 171.243 2.931 10 30 AFEERN C=CC[C@@H](C)Oc1ccc(C)c(N)c1 715057738 573913341 /nfs/dbraw/zinc/91/33/41/573913341.db2.gz JGMGOWDJAJJJJM-SNVBAGLBSA-N 0 0 191.274 2.921 10 30 AFEERN Cc1ccc(C)c([C@@H]2C[C@@H]2C#N)c1 259002896 573913383 /nfs/dbraw/zinc/91/33/83/573913383.db2.gz BNFUGZREPCYSPB-ZYHUDNBSSA-N 0 0 171.243 2.931 10 30 AFEERN Cc1cc(C(C)(C)C)nc(CS)n1 259237052 573913388 /nfs/dbraw/zinc/91/33/88/573913388.db2.gz ZETDXDYRJQWGOB-UHFFFAOYSA-N 0 0 196.319 2.512 10 30 AFEERN C=CC[C@H](C)OCc1ccc(N)cc1 715058391 573913417 /nfs/dbraw/zinc/91/34/17/573913417.db2.gz PHROMURRFXDLIP-JTQLQIEISA-N 0 0 191.274 2.750 10 30 AFEERN CCOc1ccc(NCS)cc1C 259002252 573913432 /nfs/dbraw/zinc/91/34/32/573913432.db2.gz ZDIJGNJXZXMBTQ-UHFFFAOYSA-N 0 0 197.303 2.693 10 30 AFEERN CC1=C[C@]2(C)C(C)(C)[C@]2(C)C1=O 238185193 573916493 /nfs/dbraw/zinc/91/64/93/573916493.db2.gz WKTCAUFMQQPKDB-MNOVXSKESA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc([C@@]2(C)C[C@@H]2C#N)ccc1F 259006031 573916557 /nfs/dbraw/zinc/91/65/57/573916557.db2.gz NNSHZABEZQZQEJ-ZYHUDNBSSA-N 0 0 189.233 2.935 10 30 AFEERN Cc1cc([C@@]2(C)C[C@H]2C#N)ccc1F 259006022 573916591 /nfs/dbraw/zinc/91/65/91/573916591.db2.gz NNSHZABEZQZQEJ-CMPLNLGQSA-N 0 0 189.233 2.935 10 30 AFEERN Cc1ccc([C@H](C#N)c2cc[nH]c2)cc1 259006506 573916600 /nfs/dbraw/zinc/91/66/00/573916600.db2.gz BUQPPURVBOQROV-ZDUSSCGKSA-N 0 0 196.253 2.979 10 30 AFEERN CON=C1CC[C@H]2CCCC[C@@H]2C1 308463253 573916755 /nfs/dbraw/zinc/91/67/55/573916755.db2.gz IEVWBUSBKDBLTB-NXEZZACHSA-N 0 0 181.279 2.979 10 30 AFEERN C=CC[C@H](C)Oc1c(C)cccc1N 715058539 573916762 /nfs/dbraw/zinc/91/67/62/573916762.db2.gz QLXQMCZLVRQWHS-JTQLQIEISA-N 0 0 191.274 2.921 10 30 AFEERN Cc1ccc(C#N)cc1[C@H]1CCCC1=O 238546320 573916795 /nfs/dbraw/zinc/91/67/95/573916795.db2.gz HCZSMBANIJAHIO-LLVKDONJSA-N 0 0 199.253 2.703 10 30 AFEERN C=CC[C@]1(C(C)=O)CCC=C1C 238184426 573916938 /nfs/dbraw/zinc/91/69/38/573916938.db2.gz RUXGFMDWUBDTIR-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C[C@H]1C=C2CCC(=O)C=C2CC1 145055994 573916957 /nfs/dbraw/zinc/91/69/57/573916957.db2.gz IEUGSQYHWCRCPL-MRVPVSSYSA-N 0 0 162.232 2.632 10 30 AFEERN Cc1ccsc1C(F)(F)C#N 259007984 573917022 /nfs/dbraw/zinc/91/70/22/573917022.db2.gz NULLDVHRCPQINX-UHFFFAOYSA-N 0 0 173.187 2.672 10 30 AFEERN CON=C1CC[C@@H]2CCCC[C@@H]2C1 308463260 573917039 /nfs/dbraw/zinc/91/70/39/573917039.db2.gz IEVWBUSBKDBLTB-VHSXEESVSA-N 0 0 181.279 2.979 10 30 AFEERN COCCCCC1=CC(=O)C[C@@H](C)C1 308462672 573917199 /nfs/dbraw/zinc/91/71/99/573917199.db2.gz DUHAROCKYRNPSH-JTQLQIEISA-N 0 0 196.290 2.729 10 30 AFEERN Cc1[nH]c2ccccc2c1NCS 259006373 573917268 /nfs/dbraw/zinc/91/72/68/573917268.db2.gz ZONRJBAVLPSVDV-UHFFFAOYSA-N 0 0 192.287 2.776 10 30 AFEERN Nc1ccc2c(CS)csc2c1 257899513 573919068 /nfs/dbraw/zinc/91/90/68/573919068.db2.gz ASUXDFNZTIOUQS-UHFFFAOYSA-N 0 0 195.312 2.913 10 30 AFEERN CC(C)(C)[C@@]1(C#N)CC1(C)C 259007427 573919115 /nfs/dbraw/zinc/91/91/15/573919115.db2.gz NSJYQPPBCFTQGE-JTQLQIEISA-N 0 0 151.253 2.972 10 30 AFEERN Cc1cc([C@]2(C)C[C@@H]2C#N)ccc1F 259006028 573918306 /nfs/dbraw/zinc/91/83/06/573918306.db2.gz NNSHZABEZQZQEJ-PWSUYJOCSA-N 0 0 189.233 2.935 10 30 AFEERN C=CC[C@@H](C)Oc1c(C)cccc1N 715058540 573918369 /nfs/dbraw/zinc/91/83/69/573918369.db2.gz QLXQMCZLVRQWHS-SNVBAGLBSA-N 0 0 191.274 2.921 10 30 AFEERN C=CC[C@H](C)[C@]1(O)CCCC[C@H]1OC 715058586 573918374 /nfs/dbraw/zinc/91/83/74/573918374.db2.gz QUPYUVBCUNRKFU-QJPTWQEYSA-N 0 0 198.306 2.519 10 30 AFEERN C=CC[C@H](C)[C@]1(O)CCCC[C@@H]1OC 715058587 573918384 /nfs/dbraw/zinc/91/83/84/573918384.db2.gz QUPYUVBCUNRKFU-SDDRHHMPSA-N 0 0 198.306 2.519 10 30 AFEERN C=CC[C@H](C)[C@](O)(CC)[C@@H]1C[C@H]1C 715058338 573918415 /nfs/dbraw/zinc/91/84/15/573918415.db2.gz OMPKRITYWPKMRY-WRWGMCAJSA-N 0 0 182.307 2.996 10 30 AFEERN CC(C)(C)[C@H](C#N)c1cc[nH]c1 259006987 573918463 /nfs/dbraw/zinc/91/84/63/573918463.db2.gz BXQKDVMXEOTRRW-SECBINFHSA-N 0 0 162.236 2.668 10 30 AFEERN CON=C1CC[C@@H]2CCCC[C@H]2C1 308463257 573918517 /nfs/dbraw/zinc/91/85/17/573918517.db2.gz IEVWBUSBKDBLTB-UWVGGRQHSA-N 0 0 181.279 2.979 10 30 AFEERN C=CC[C@H](C)[C@@]1(O)CCCC[C@@H]1OC 715058589 573918550 /nfs/dbraw/zinc/91/85/50/573918550.db2.gz QUPYUVBCUNRKFU-SRVKXCTJSA-N 0 0 198.306 2.519 10 30 AFEERN CC(C)C[C@]1(C#N)C[C@H]1C 259009586 573918617 /nfs/dbraw/zinc/91/86/17/573918617.db2.gz NZAIGORBPRQHTR-RKDXNWHRSA-N 0 0 137.226 2.582 10 30 AFEERN C=CC(=O)C1=C(C)CCC1(C)C 238187088 573918646 /nfs/dbraw/zinc/91/86/46/573918646.db2.gz IFNIPYQMRYBXOI-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1ccc(F)cc1F 259007377 573918739 /nfs/dbraw/zinc/91/87/39/573918739.db2.gz NRFNASWGVFDVGZ-ONGXEEELSA-N 0 0 193.196 2.982 10 30 AFEERN C=C=C(CC)C(=O)c1ccoc1 238185651 573918908 /nfs/dbraw/zinc/91/89/08/573918908.db2.gz BWLDBEVJRDRHTL-UHFFFAOYSA-N 0 0 162.188 2.584 10 30 AFEERN CC(C)(C)[C@@H](C#N)c1cc[nH]c1 259006993 573918995 /nfs/dbraw/zinc/91/89/95/573918995.db2.gz BXQKDVMXEOTRRW-VIFPVBQESA-N 0 0 162.236 2.668 10 30 AFEERN CC(C)C[C@]1(C#N)C[C@@H]1C 259009583 573919039 /nfs/dbraw/zinc/91/90/39/573919039.db2.gz NZAIGORBPRQHTR-DTWKUNHWSA-N 0 0 137.226 2.582 10 30 AFEERN C/C=C\C(=O)c1cccc2cnccc12 308781058 573920257 /nfs/dbraw/zinc/92/02/57/573920257.db2.gz CADBYWGSVPTDCP-RQOWECAXSA-N 0 0 197.237 2.994 10 30 AFEERN Cn1cc(CS)c2ccc(F)cc21 257899556 573920518 /nfs/dbraw/zinc/92/05/18/573920518.db2.gz ATZWJESNGHZDBR-UHFFFAOYSA-N 0 0 195.262 2.747 10 30 AFEERN Cc1c(C(=O)CC#N)ccc2cc[nH]c12 259581958 573920729 /nfs/dbraw/zinc/92/07/29/573920729.db2.gz YXQCYLIMFVSXGN-UHFFFAOYSA-N 0 0 198.225 2.573 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1ccc(F)cc1F 259007373 573920870 /nfs/dbraw/zinc/92/08/70/573920870.db2.gz NRFNASWGVFDVGZ-KOLCDFICSA-N 0 0 193.196 2.982 10 30 AFEERN C=CCC(C)(C)C(=O)C(C)C 238186844 573922081 /nfs/dbraw/zinc/92/20/81/573922081.db2.gz UCARIABCKZAQBN-UHFFFAOYSA-N 0 0 154.253 2.814 10 30 AFEERN CCC(C)(C)O/N=C/Br 238188468 573922932 /nfs/dbraw/zinc/92/29/32/573922932.db2.gz DKKHTUFUABDFAB-VMPITWQZSA-N 0 0 194.072 2.530 10 30 AFEERN CC(C)(F)[C@H](C#N)C1CCC1 258459105 573922229 /nfs/dbraw/zinc/92/22/29/573922229.db2.gz GXRWQOQAVXVBES-MRVPVSSYSA-N 0 0 155.216 2.674 10 30 AFEERN C=C=C(CC)C(=O)c1ccco1 238185623 573922306 /nfs/dbraw/zinc/92/23/06/573922306.db2.gz LXLVGNPDCGXVAP-UHFFFAOYSA-N 0 0 162.188 2.584 10 30 AFEERN C/C=C\C(=O)c1cnc2ccccc2c1 308781041 573922394 /nfs/dbraw/zinc/92/23/94/573922394.db2.gz AXCYXAOVZSFZAL-DJWKRKHSSA-N 0 0 197.237 2.994 10 30 AFEERN C[C@@H]1CCC[C@H](C[C@@](C)(O)CC=O)C1 308464163 573922442 /nfs/dbraw/zinc/92/24/42/573922442.db2.gz FOBUTJWVWSSDMW-WOPDTQHZSA-N 0 0 198.306 2.543 10 30 AFEERN C[C@@H]1CCC[C@@H](C[C@@](C)(O)CC=O)C1 308464162 573922460 /nfs/dbraw/zinc/92/24/60/573922460.db2.gz FOBUTJWVWSSDMW-UTUOFQBUSA-N 0 0 198.306 2.543 10 30 AFEERN C#CC[C@@H](O)c1cc(C)c(C)cc1C 235803550 573922737 /nfs/dbraw/zinc/92/27/37/573922737.db2.gz CYQWRWBVQZLKIQ-CYBMUJFWSA-N 0 0 188.270 2.669 10 30 AFEERN C#CC[C@H](O)c1ccc(C)cc1Cl 235804806 573923499 /nfs/dbraw/zinc/92/34/99/573923499.db2.gz FDWUPGZRTZKSKI-NSHDSACASA-N 0 0 194.661 2.705 10 30 AFEERN C[C@@H]1CCC[C@@H](C[C@](C)(O)CC=O)C1 308464161 573923614 /nfs/dbraw/zinc/92/36/14/573923614.db2.gz FOBUTJWVWSSDMW-IJLUTSLNSA-N 0 0 198.306 2.543 10 30 AFEERN C[C@H](CC=O)c1cc(F)cc(F)c1 258181933 573923850 /nfs/dbraw/zinc/92/38/50/573923850.db2.gz WRINRQDWHDHYPK-SSDOTTSWSA-N 0 0 184.185 2.657 10 30 AFEERN CCc1cccc(C)c1N[C@@H](C)C#N 259013375 573923955 /nfs/dbraw/zinc/92/39/55/573923955.db2.gz RKBLUUZMQAAJMK-JTQLQIEISA-N 0 0 188.274 2.881 10 30 AFEERN C=C[C@H]1CC(C)=C(C)C[C@@H]1C=O 238198446 573924017 /nfs/dbraw/zinc/92/40/17/573924017.db2.gz QEUBWOOXUZDLNP-WDEREUQCSA-N 0 0 164.248 2.734 10 30 AFEERN CC(C)(C)CC[C@@](C)(C#N)NC1CC1 308463813 573924256 /nfs/dbraw/zinc/92/42/56/573924256.db2.gz HAZUWJOWXRPXCQ-LBPRGKRZSA-N 0 0 194.322 2.847 10 30 AFEERN Cc1ccc([C@@H](C)CC=O)c(F)c1F 258181814 573924277 /nfs/dbraw/zinc/92/42/77/573924277.db2.gz WPYIJFVDBXVPOR-ZETCQYMHSA-N 0 0 198.212 2.966 10 30 AFEERN CCCC1=C(CC)CCC1=O 238200225 573930635 /nfs/dbraw/zinc/93/06/35/573930635.db2.gz NYXHZSVYYOEQDF-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN C=C1C(C)=C(CC)C(=O)[C@H]1CC 224741597 573930651 /nfs/dbraw/zinc/93/06/51/573930651.db2.gz VLOAYSZVZTZVDV-VIFPVBQESA-N 0 0 164.248 2.878 10 30 AFEERN C#CC[C@]1(C)C(C)=CC(C)=C(C)[C@H]1O 238200211 573929978 /nfs/dbraw/zinc/92/99/78/573929978.db2.gz KXIASRZERHFMCS-CHWSQXEVSA-N 0 0 190.286 2.673 10 30 AFEERN CC(C)(C=O)Cc1ccc(F)c(F)c1 84932323 573930043 /nfs/dbraw/zinc/93/00/43/573930043.db2.gz ZDTFCTSMEVCXQI-UHFFFAOYSA-N 0 0 198.212 2.732 10 30 AFEERN CC(C)[C@@H](NCC#N)c1cccs1 42237229 573930061 /nfs/dbraw/zinc/93/00/61/573930061.db2.gz OJIKLERMZMDYHC-SNVBAGLBSA-N 0 0 194.303 2.558 10 30 AFEERN CC1(C)CC(=O)C2=CCCC[C@@H]21 238199047 573930085 /nfs/dbraw/zinc/93/00/85/573930085.db2.gz QVGLDLGZLJAWDQ-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1C[C@]1(C#N)c1ccc(F)c(F)c1 259013792 573930096 /nfs/dbraw/zinc/93/00/96/573930096.db2.gz OOIRAXIFFHLWHI-WRWORJQWSA-N 0 0 193.196 2.766 10 30 AFEERN CC1(C)CC(=O)C=C(c2ccc[nH]2)C1 238199196 573930104 /nfs/dbraw/zinc/93/01/04/573930104.db2.gz NXZGEVQDBCWMMD-UHFFFAOYSA-N 0 0 189.258 2.787 10 30 AFEERN C[C@@H]1C[C@]1(C#N)c1c[nH]c2ccccc12 259016158 573930174 /nfs/dbraw/zinc/93/01/74/573930174.db2.gz PBKJFCBKCDATKD-NOZJJQNGSA-N 0 0 196.253 2.969 10 30 AFEERN CC1=CC(=O)[C@H]2CC(C)=C(C)C[C@H]12 238198969 573930238 /nfs/dbraw/zinc/93/02/38/573930238.db2.gz XQXSIWFTDVTXJC-MNOVXSKESA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)C#C[C@H](C)CC(=O)CC 238199836 573930258 /nfs/dbraw/zinc/93/02/58/573930258.db2.gz IKWZNUMDBZZDKN-JTQLQIEISA-N 0 0 164.248 2.571 10 30 AFEERN CC1=C(C)[C@@H](C=O)C(C)(C)CC1 238199897 573930286 /nfs/dbraw/zinc/93/02/86/573930286.db2.gz MKRNOYVHCJPWNE-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCCC(C)(C)[C@]1(Cl)C=O 238199109 573930303 /nfs/dbraw/zinc/93/03/03/573930303.db2.gz UKFPMKVRIWNGNE-JTQLQIEISA-N 0 0 186.682 2.929 10 30 AFEERN CCCC1=C(CC)C(=O)CC1 238200158 573930311 /nfs/dbraw/zinc/93/03/11/573930311.db2.gz HNGHTSUKOAEJAF-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN C[C@@H]1C[C@]1(C#N)c1ccc(F)c(F)c1 259013130 573930333 /nfs/dbraw/zinc/93/03/33/573930333.db2.gz OOIRAXIFFHLWHI-RDDDGLTNSA-N 0 0 193.196 2.766 10 30 AFEERN Cc1csc2c(N)c(C#N)ccc12 306829453 573930360 /nfs/dbraw/zinc/93/03/60/573930360.db2.gz HNDZWFVYWKLBBO-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CC1=C(C)C[C@@](C#N)(C=O)C(C)(C)C1 238199271 573930368 /nfs/dbraw/zinc/93/03/68/573930368.db2.gz NSDONUUYXCWJJG-GFCCVEGCSA-N 0 0 191.274 2.852 10 30 AFEERN Cc1csc2ccc(C#N)c(N)c12 306820295 573930369 /nfs/dbraw/zinc/93/03/69/573930369.db2.gz MRVQYGOWMKVALI-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN Cc1c(O)c(C#N)cc2ccsc12 306825543 573930447 /nfs/dbraw/zinc/93/04/47/573930447.db2.gz XXQSVQHVRVBTCG-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN CCCC1=C(C)C[C@H](C)C1=O 238200027 573930450 /nfs/dbraw/zinc/93/04/50/573930450.db2.gz WEHYDYMEOYHHAN-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H]1C[C@@]1(C#N)c1ccc(F)c(F)c1 259013127 573930458 /nfs/dbraw/zinc/93/04/58/573930458.db2.gz OOIRAXIFFHLWHI-CPCISQLKSA-N 0 0 193.196 2.766 10 30 AFEERN C=C1C(CCC)=CC(=O)[C@@H]1CC 224741975 573930499 /nfs/dbraw/zinc/93/04/99/573930499.db2.gz KBBOFFMJOLFZHS-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN CCC1=C(CC)C(=O)C2(CC2)C1 238199776 573930546 /nfs/dbraw/zinc/93/05/46/573930546.db2.gz ISIFJNOVLBZAOU-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN O=CCC(F)(F)c1ccc(F)cc1 257905311 573932609 /nfs/dbraw/zinc/93/26/09/573932609.db2.gz ZIXCCYQQWKGUBW-UHFFFAOYSA-N 0 0 188.148 2.507 10 30 AFEERN C=CCN(CC)c1ccccc1C=O 131739790 573931943 /nfs/dbraw/zinc/93/19/43/573931943.db2.gz VFDWGRDVFWANSJ-UHFFFAOYSA-N 0 0 189.258 2.511 10 30 AFEERN N#Cc1ccc(F)c2c1SC(=O)C2 306819942 573932019 /nfs/dbraw/zinc/93/20/19/573932019.db2.gz MBFPNJGHOBWILP-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN C#CC[C@H](O)C(C1CCC1)C1CCC1 308465799 573932069 /nfs/dbraw/zinc/93/20/69/573932069.db2.gz HTXNOPRARWUJGC-LBPRGKRZSA-N 0 0 192.302 2.587 10 30 AFEERN Cc1ccc(C(F)(F)CC#N)o1 259014061 573932257 /nfs/dbraw/zinc/93/22/57/573932257.db2.gz ORVKXPONHDMTEW-UHFFFAOYSA-N 0 0 171.146 2.594 10 30 AFEERN N#CC1(c2ccsc2)CCC1 78758968 573932350 /nfs/dbraw/zinc/93/23/50/573932350.db2.gz VAJSGOGPAQLLRZ-UHFFFAOYSA-N 0 0 163.245 2.693 10 30 AFEERN N#CCCCCNc1cccc(C#N)c1 42221298 573932524 /nfs/dbraw/zinc/93/25/24/573932524.db2.gz BGDAIKFVEIVSSN-UHFFFAOYSA-N 0 0 199.257 2.664 10 30 AFEERN C[C@H](F)[C@@H](CC#N)C1CCC1 258460303 573932538 /nfs/dbraw/zinc/93/25/38/573932538.db2.gz GYYQCODNVFOTJV-IONNQARKSA-N 0 0 155.216 2.674 10 30 AFEERN C/C=C\COCC[C@@H](C)CCS 211647640 573932599 /nfs/dbraw/zinc/93/25/99/573932599.db2.gz FBZBIXVYWXGMCH-UMBAGQNISA-N 0 0 188.336 2.925 10 30 AFEERN CC(F)(F)[C@H](C=O)C1CCCC1 257905019 573933812 /nfs/dbraw/zinc/93/38/12/573933812.db2.gz PMVQBHKIWRTJMY-MRVPVSSYSA-N 0 0 176.206 2.647 10 30 AFEERN C/C=C\COCC[C@H](C)CCS 211647726 573933813 /nfs/dbraw/zinc/93/38/13/573933813.db2.gz FBZBIXVYWXGMCH-XOULXFPDSA-N 0 0 188.336 2.925 10 30 AFEERN CC(C)[C@@](F)(C=O)c1ccccc1 238197368 573933831 /nfs/dbraw/zinc/93/38/31/573933831.db2.gz IFOKWFBVXJCGHL-NSHDSACASA-N 0 0 180.222 2.706 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1ccc2c(c1)CCO2 259019467 573933188 /nfs/dbraw/zinc/93/31/88/573933188.db2.gz PLTQUUCAVMGRBF-DGCLKSJQSA-N 0 0 199.253 2.639 10 30 AFEERN CC1(C)C(C=O)=C(O)C2=C1CCCC2 238196212 573933225 /nfs/dbraw/zinc/93/32/25/573933225.db2.gz SMXBRAQAKRAGPC-JXMROGBWSA-N 0 0 192.258 2.908 10 30 AFEERN CSc1ccc([C@@H](F)C=O)cc1 257904999 573933288 /nfs/dbraw/zinc/93/32/88/573933288.db2.gz PMRHDIQAVDDNJE-VIFPVBQESA-N 0 0 184.235 2.618 10 30 AFEERN C/C=C\COCCCCCS 211647797 573933405 /nfs/dbraw/zinc/93/34/05/573933405.db2.gz DPZKOOQNGPTVNU-IHWYPQMZSA-N 0 0 174.309 2.679 10 30 AFEERN CC1=C2C=CC=CC=C2CCC1=O 238196447 573933427 /nfs/dbraw/zinc/93/34/27/573933427.db2.gz BSSQLBBUFIMPER-UHFFFAOYSA-N 0 0 172.227 2.718 10 30 AFEERN C[C@@H](F)[C@H](CC#N)C1CCC1 258460297 573933634 /nfs/dbraw/zinc/93/36/34/573933634.db2.gz GYYQCODNVFOTJV-APPZFPTMSA-N 0 0 155.216 2.674 10 30 AFEERN CCCNN=C1CCC(CC)CC1 308465889 573936476 /nfs/dbraw/zinc/93/64/76/573936476.db2.gz JAZICJMGDJJHSV-UHFFFAOYSA-N 0 0 182.311 2.942 10 30 AFEERN C#C[C@@H](O)C1=C(C)CCCC1(C)C 238214387 573936653 /nfs/dbraw/zinc/93/66/53/573936653.db2.gz UCBYEXPIDWGEEH-SNVBAGLBSA-N 0 0 178.275 2.507 10 30 AFEERN Cc1cccc([C@H](C=O)C(C)(F)F)c1 257905476 573936902 /nfs/dbraw/zinc/93/69/02/573936902.db2.gz WKFMDBWQUFQGNZ-JTQLQIEISA-N 0 0 198.212 2.933 10 30 AFEERN C[C@@H]1CC[C@H]1Nc1ccccc1C#N 306191166 573936930 /nfs/dbraw/zinc/93/69/30/573936930.db2.gz XMVZPNJXJYXTMB-MWLCHTKSSA-N 0 0 186.258 2.769 10 30 AFEERN Cc1cccc([C@@H](C=O)C(C)(F)F)c1 257905479 573936963 /nfs/dbraw/zinc/93/69/63/573936963.db2.gz WKFMDBWQUFQGNZ-SNVBAGLBSA-N 0 0 198.212 2.933 10 30 AFEERN C=CC[C@@H](CC1CCC(C)CC1)NN 308466212 573936981 /nfs/dbraw/zinc/93/69/81/573936981.db2.gz GMRLVUIUSSBGJS-MCIGGMRASA-N 0 0 196.338 2.611 10 30 AFEERN CC1=CC(=O)[C@@H]2CC(C)=C(C)C[C@H]12 238197492 573937105 /nfs/dbraw/zinc/93/71/05/573937105.db2.gz XQXSIWFTDVTXJC-GHMZBOCLSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@H](C)CCC(=O)CC 238197798 573937156 /nfs/dbraw/zinc/93/71/56/573937156.db2.gz AJWBHUZFDFQPSD-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)[C@H]1CCC(C)=CC(=O)C1 222816538 573937226 /nfs/dbraw/zinc/93/72/26/573937226.db2.gz KMGRIBMQANIPJC-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN Cc1cc([C@H](C#N)C2CC2)[nH]c1C 259585360 573937249 /nfs/dbraw/zinc/93/72/49/573937249.db2.gz FOQYBWZRVQZGEO-SNVBAGLBSA-N 0 0 174.247 2.649 10 30 AFEERN Fc1cccc2cc(CS)[nH]c12 257906491 573938234 /nfs/dbraw/zinc/93/82/34/573938234.db2.gz PCQOXGZZTQONNB-UHFFFAOYSA-N 0 0 181.235 2.737 10 30 AFEERN C[C@H](CC=O)c1ccc2oncc2c1 258184439 573938355 /nfs/dbraw/zinc/93/83/55/573938355.db2.gz WXRBPALZHUITRK-MRVPVSSYSA-N 0 0 189.214 2.520 10 30 AFEERN C[Si](C)(C)C#CCCC/C=C/CO 212990154 573938826 /nfs/dbraw/zinc/93/88/26/573938826.db2.gz ZLBCQNQMFBOPLY-SOFGYWHQSA-N 0 0 196.366 2.586 10 30 AFEERN CCCCCCCC(=O)[C@H]1C[C@@H]1OC 690016697 573939026 /nfs/dbraw/zinc/93/90/26/573939026.db2.gz ACMZPZURCHEFSW-PWSUYJOCSA-N 0 0 198.306 2.951 10 30 AFEERN CC(C)=CC(=O)c1ccc(Cl)nc1 87545858 573940331 /nfs/dbraw/zinc/94/03/31/573940331.db2.gz SWXKSYVBEMDJSM-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN CCCCC#CC1=CCCCC1=O 238214741 573940345 /nfs/dbraw/zinc/94/03/45/573940345.db2.gz SEBSPDPGBCPILI-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN CCCCC#CC1(C(C)=O)CC1 238214648 573940409 /nfs/dbraw/zinc/94/04/09/573940409.db2.gz CVXOIKWYNMXWLB-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN C=C(C)C(=O)c1ccc(F)cc1C 87548163 573940443 /nfs/dbraw/zinc/94/04/43/573940443.db2.gz OIBNKVZOKKNEIT-UHFFFAOYSA-N 0 0 178.206 2.893 10 30 AFEERN CC1=CC(=O)[C@@](C)(C(C)C)C=C1 238200970 573939738 /nfs/dbraw/zinc/93/97/38/573939738.db2.gz VHMXGHMPUQNFMG-LLVKDONJSA-N 0 0 164.248 2.734 10 30 AFEERN CC1(C)CCCC/C=C/C1=O 238200667 573939753 /nfs/dbraw/zinc/93/97/53/573939753.db2.gz DOCFDIKIEZWAIV-FNORWQNLSA-N 0 0 152.237 2.712 10 30 AFEERN CCCC1=CC(=O)[C@@](C)(Cl)C1 238201138 573939921 /nfs/dbraw/zinc/93/99/21/573939921.db2.gz CICLXEPSLAHSIB-VIFPVBQESA-N 0 0 172.655 2.683 10 30 AFEERN C=C(C)C(=O)c1c(F)cccc1OC 87544860 573940146 /nfs/dbraw/zinc/94/01/46/573940146.db2.gz RSNVQEDTSSVJJI-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN Cc1ccsc1[C@@H](N)C(C)(C)C#N 259244789 573940164 /nfs/dbraw/zinc/94/01/64/573940164.db2.gz GDEBPTDSRVVRBA-SECBINFHSA-N 0 0 194.303 2.606 10 30 AFEERN CC1=C([C@H](O)CC#N)C(C)(C)CCC1 238214480 573940184 /nfs/dbraw/zinc/94/01/84/573940184.db2.gz OLBQUPUIOCRRJO-SNVBAGLBSA-N 0 0 193.290 2.788 10 30 AFEERN C=C1CCC[C@H]1CC(=O)CC 238201347 573940293 /nfs/dbraw/zinc/94/02/93/573940293.db2.gz RBOJWOBSSYDHSL-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CC1(C)CCCC=C1CC=O 238200902 573942034 /nfs/dbraw/zinc/94/20/34/573942034.db2.gz LWRPWVCWSCHACF-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)=CC(=O)c1ccnc(Cl)c1 87545335 573942051 /nfs/dbraw/zinc/94/20/51/573942051.db2.gz QKRHAYVJNXUFID-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN CCC1=C2CCC[C@@H]2CCC1=O 238200602 573942068 /nfs/dbraw/zinc/94/20/68/573942068.db2.gz CMZFQQKFTRFGHD-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1cc(F)ccc1F 259023853 573942383 /nfs/dbraw/zinc/94/23/83/573942383.db2.gz QFGAWGZKMOULSN-ONGXEEELSA-N 0 0 193.196 2.982 10 30 AFEERN CCC1CCC([C@](C)(O)CC=O)CC1 84996478 573942502 /nfs/dbraw/zinc/94/25/02/573942502.db2.gz WLLYIPHQWZVKDL-HTAVTVPLSA-N 0 0 198.306 2.543 10 30 AFEERN CCCC1=CC[C@H](C)CC1=O 238201942 573942562 /nfs/dbraw/zinc/94/25/62/573942562.db2.gz OCJIPQPXPICFPY-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN CC1=C(C)[C@@]2(C)[C@@H](C1=O)C2(C)C 238202095 573942706 /nfs/dbraw/zinc/94/27/06/573942706.db2.gz HBWDSNCFDXHXMH-ONGXEEELSA-N 0 0 164.248 2.568 10 30 AFEERN CC1(C)[C@@H](C=O)[C@@H]1C=C1CCCC1 238203612 573942733 /nfs/dbraw/zinc/94/27/33/573942733.db2.gz PYPKMXYRNCQTKM-QWRGUYRKSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)C#C[C@@H](C)CC(=O)CC 238201788 573943510 /nfs/dbraw/zinc/94/35/10/573943510.db2.gz IKWZNUMDBZZDKN-SNVBAGLBSA-N 0 0 164.248 2.571 10 30 AFEERN CSc1cc(C)c(C)cc1C#N 257907169 573943564 /nfs/dbraw/zinc/94/35/64/573943564.db2.gz ABYIFRCSAYDKQM-UHFFFAOYSA-N 0 0 177.272 2.897 10 30 AFEERN C=C(C)[C@H](NCCC)c1coc(C)n1 308471394 573943602 /nfs/dbraw/zinc/94/36/02/573943602.db2.gz JKXFYUQIAPRIHU-NSHDSACASA-N 0 0 194.278 2.600 10 30 AFEERN C=C(C)[C@@](C)(Cl)C(=O)C(C)C 238203366 573942869 /nfs/dbraw/zinc/94/28/69/573942869.db2.gz LIIYNXGANLHRLI-SECBINFHSA-N 0 0 174.671 2.785 10 30 AFEERN CC1=C(C)[C@](C)(CC=O)CC1 238203378 573942891 /nfs/dbraw/zinc/94/28/91/573942891.db2.gz CSPFRMIKERJNCQ-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)C[C@H](O)C#CC1=CCCCC1 238201752 573942955 /nfs/dbraw/zinc/94/29/55/573942955.db2.gz KCVZWPBLQCGYPT-CYBMUJFWSA-N 0 0 192.302 2.897 10 30 AFEERN CCC[C@H](C)C=NNCC(F)(F)F 308470625 573942958 /nfs/dbraw/zinc/94/29/58/573942958.db2.gz KHDUOQSLPZNKQL-ZETCQYMHSA-N 0 0 196.216 2.560 10 30 AFEERN C=C[C@H]1CC[C@@](C)(C=O)C1(C)C 238203259 573942960 /nfs/dbraw/zinc/94/29/60/573942960.db2.gz GFRZIQYOEUHDGR-ONGXEEELSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1CCC[C@@H]1CC(=O)CC 238202713 573943147 /nfs/dbraw/zinc/94/31/47/573943147.db2.gz RBOJWOBSSYDHSL-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1cc(F)ccc1F 259023846 573943251 /nfs/dbraw/zinc/94/32/51/573943251.db2.gz QFGAWGZKMOULSN-KOLCDFICSA-N 0 0 193.196 2.982 10 30 AFEERN C=C[C@H]1CC[C@](C)(C=O)C1(C)C 238203269 573943455 /nfs/dbraw/zinc/94/34/55/573943455.db2.gz GFRZIQYOEUHDGR-GXSJLCMTSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)[C@@H](NCCC)c1coc(C)n1 308471392 573943500 /nfs/dbraw/zinc/94/35/00/573943500.db2.gz JKXFYUQIAPRIHU-LLVKDONJSA-N 0 0 194.278 2.600 10 30 AFEERN Cc1cccc(OCCC[C@@H]2CO2)c1 308469884 573944474 /nfs/dbraw/zinc/94/44/74/573944474.db2.gz HNFZMRYKJSDHTA-GFCCVEGCSA-N 0 0 192.258 2.553 10 30 AFEERN CC1=C(C)[C@H](C=O)C(C)(C)CC1 238202513 573944683 /nfs/dbraw/zinc/94/46/83/573944683.db2.gz MKRNOYVHCJPWNE-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN COc1ccc([C@@H]2O[C@H]2C)c(C)c1C 259247031 573944723 /nfs/dbraw/zinc/94/47/23/573944723.db2.gz KOIQZMMAYNLPBY-JOYOIKCWSA-N 0 0 192.258 2.772 10 30 AFEERN C#CC[C@@]1(C)C(C)=CC(C)=C(C)[C@@H]1O 238202720 573944984 /nfs/dbraw/zinc/94/49/84/573944984.db2.gz KXIASRZERHFMCS-STQMWFEESA-N 0 0 190.286 2.673 10 30 AFEERN Cc1cc(F)cc(NC2(C#N)CC2)c1 235825764 573945029 /nfs/dbraw/zinc/94/50/29/573945029.db2.gz XMBDDEBEFXISRP-UHFFFAOYSA-N 0 0 190.221 2.602 10 30 AFEERN CC1=C2C(=O)CCC[C@@H]2CCC1 238215235 573945056 /nfs/dbraw/zinc/94/50/56/573945056.db2.gz PRYGTRBFHKNAFU-VIFPVBQESA-N 0 0 164.248 2.856 10 30 AFEERN C#CC[C@H]1CC[C@](C)(C=O)C1(C)C 238203909 573945361 /nfs/dbraw/zinc/94/53/61/573945361.db2.gz FMQYGNPRXJUEBO-CMPLNLGQSA-N 0 0 178.275 2.651 10 30 AFEERN Cc1csc(C#CC#N)c1Cl 235825338 573946027 /nfs/dbraw/zinc/94/60/27/573946027.db2.gz ZWQGHYUNKZVOPT-UHFFFAOYSA-N 0 0 181.647 2.585 10 30 AFEERN CC=C=CC(C=O)(CC)CC 238203436 573945391 /nfs/dbraw/zinc/94/53/91/573945391.db2.gz CMLMVIHPTYAMLN-UHFFFAOYSA-N 0 0 152.237 2.723 10 30 AFEERN CCCC1=C[C@H](CC=O)CC1 238202401 573945457 /nfs/dbraw/zinc/94/54/57/573945457.db2.gz KBQJNDVYIOGCNH-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN CCCC1=CC[C@@H](C)CC1=O 238201829 573945546 /nfs/dbraw/zinc/94/55/46/573945546.db2.gz OCJIPQPXPICFPY-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN COc1ccc([C@H]2O[C@H]2C)c(C)c1C 259247027 573945660 /nfs/dbraw/zinc/94/56/60/573945660.db2.gz KOIQZMMAYNLPBY-CABZTGNLSA-N 0 0 192.258 2.772 10 30 AFEERN CCCC1=C[C@@H](CC=O)CC1 238202142 573945685 /nfs/dbraw/zinc/94/56/85/573945685.db2.gz KBQJNDVYIOGCNH-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)C(=O)C=CNc1ccccc1 238203672 573945690 /nfs/dbraw/zinc/94/56/90/573945690.db2.gz NWPTZJKOYFGDCQ-CMDGGOBGSA-N 0 0 189.258 2.837 10 30 AFEERN CCC[C@@H](C)C=NNCC(F)(F)F 308470617 573945827 /nfs/dbraw/zinc/94/58/27/573945827.db2.gz KHDUOQSLPZNKQL-SSDOTTSWSA-N 0 0 196.216 2.560 10 30 AFEERN Cc1ccc2scc(N)c2c1C#N 306848574 573945835 /nfs/dbraw/zinc/94/58/35/573945835.db2.gz LVZGOHUMFYZYIW-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C#CC[C@]1(C)C(C)=CC(C)=C(C)[C@@H]1O 238202751 573945943 /nfs/dbraw/zinc/94/59/43/573945943.db2.gz KXIASRZERHFMCS-QWHCGFSZSA-N 0 0 190.286 2.673 10 30 AFEERN CC1(C)[C@@H](C=O)[C@H]1C=C1CCCC1 238203737 573945994 /nfs/dbraw/zinc/94/59/94/573945994.db2.gz PYPKMXYRNCQTKM-MNOVXSKESA-N 0 0 178.275 2.958 10 30 AFEERN CC1(C)CCC(=O)C2=CCC[C@@H]21 238206101 573947401 /nfs/dbraw/zinc/94/74/01/573947401.db2.gz KZANVBPZHKEFFU-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN C=C=C([C@@H](O)[C@@H](C)C=C)[Si](C)(C)C 215018567 573947467 /nfs/dbraw/zinc/94/74/67/573947467.db2.gz VQMHLUDKTWDFSF-ONGXEEELSA-N 0 0 196.366 2.758 10 30 AFEERN C=CC#CCC1=C(C)CCCC1=O 238206145 573947527 /nfs/dbraw/zinc/94/75/27/573947527.db2.gz YHLYBPKBDMGGOO-UHFFFAOYSA-N 0 0 174.243 2.635 10 30 AFEERN CC1=C(CC#N)C(C)(C)[C@@H](CO)CC1 238206193 573947035 /nfs/dbraw/zinc/94/70/35/573947035.db2.gz BERIBTOAVWSVMP-SNVBAGLBSA-N 0 0 193.290 2.645 10 30 AFEERN C=CC(CC)(CC)CC=O 238205953 573947058 /nfs/dbraw/zinc/94/70/58/573947058.db2.gz IPYCUPFBERUTBY-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@]1(C(C)C)CCCC1=O 238204942 573947233 /nfs/dbraw/zinc/94/72/33/573947233.db2.gz PUXLMUWLGFZKQY-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CC1(C)CCC(=O)C2=CCC[C@H]21 238206119 573947252 /nfs/dbraw/zinc/94/72/52/573947252.db2.gz KZANVBPZHKEFFU-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)[C@H](O)C#C[C@@H](C)[Si](C)(C)C 238208109 573950979 /nfs/dbraw/zinc/95/09/79/573950979.db2.gz VELXQWIEQOTGQF-GHMZBOCLSA-N 0 0 198.382 2.735 10 30 AFEERN CCCC1=C[C@@H]2CCC[C@@H]2C1=O 238207238 573950985 /nfs/dbraw/zinc/95/09/85/573950985.db2.gz HQZIYBMRCPLWEZ-WPRPVWTQSA-N 0 0 164.248 2.712 10 30 AFEERN CCCC1=C[C@H]2CCC[C@@H]2C1=O 238207322 573951077 /nfs/dbraw/zinc/95/10/77/573951077.db2.gz HQZIYBMRCPLWEZ-SCZZXKLOSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCC1=C(C)C(=O)CCC1 238207159 573951123 /nfs/dbraw/zinc/95/11/23/573951123.db2.gz KYKYWMYONCWNOL-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CCCCC[C@@H](C)[C@@H]1CO1 238206430 573951177 /nfs/dbraw/zinc/95/11/77/573951177.db2.gz VJXMADSGAKPICT-BDAKNGLRSA-N 0 0 142.242 2.602 10 30 AFEERN CCCC1=C[C@H]2CCC[C@H]2C1=O 238207334 573951186 /nfs/dbraw/zinc/95/11/86/573951186.db2.gz HQZIYBMRCPLWEZ-PSASIEDQSA-N 0 0 164.248 2.712 10 30 AFEERN CCCC[C@H](CC)[C@H](F)C=O 238208186 573951334 /nfs/dbraw/zinc/95/13/34/573951334.db2.gz QVQHQGJKXRNNQL-DTWKUNHWSA-N 0 0 160.232 2.740 10 30 AFEERN C=C(C)CC(=C)[C@@H](O)C(C)C 238208609 573951353 /nfs/dbraw/zinc/95/13/53/573951353.db2.gz AAJSSVUFJIEPEU-JTQLQIEISA-N 0 0 154.253 2.526 10 30 AFEERN C#CCCCC1=C(C)CCCC1=O 238208200 573951593 /nfs/dbraw/zinc/95/15/93/573951593.db2.gz RAJXXLUCXMXAGE-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN C=C[C@@H](Nc1ccccn1)C(C)C 238207343 573951640 /nfs/dbraw/zinc/95/16/40/573951640.db2.gz NPSXYIJXNYYYFR-SNVBAGLBSA-N 0 0 176.263 2.704 10 30 AFEERN CC1=CC(=O)[C@](C)(C(C)C)C=C1 238207869 573951686 /nfs/dbraw/zinc/95/16/86/573951686.db2.gz VHMXGHMPUQNFMG-NSHDSACASA-N 0 0 164.248 2.734 10 30 AFEERN CC1(C)CCC[C@@H](CCC#N)C1=O 238207962 573953227 /nfs/dbraw/zinc/95/32/27/573953227.db2.gz VCSJUSIBZCJZBB-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C=C(C)C(=C(C)C)[C@@H](O)C(C)C 238208444 573953241 /nfs/dbraw/zinc/95/32/41/573953241.db2.gz FXWLQFUYTMFNCV-NSHDSACASA-N 0 0 168.280 2.916 10 30 AFEERN CC1=CC[C@@](C)(C(C)C)C1=O 238208061 573953317 /nfs/dbraw/zinc/95/33/17/573953317.db2.gz GCJAGPOKRWRCET-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN CCCC1=C2CCC[C@H]2CC1=O 238207061 573953384 /nfs/dbraw/zinc/95/33/84/573953384.db2.gz GBDGHNQLVBVABL-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN CCc1ccc(CCC=O)cc1C 258021987 573953495 /nfs/dbraw/zinc/95/34/95/573953495.db2.gz ODRAYYQJZZBSRU-UHFFFAOYSA-N 0 0 176.259 2.689 10 30 AFEERN C=CCC1=C(C)C(C)(C)[C@@H](O)C1 238207227 573953629 /nfs/dbraw/zinc/95/36/29/573953629.db2.gz NWFCTVIASRXNLH-JTQLQIEISA-N 0 0 166.264 2.670 10 30 AFEERN CCCC1=C[C@@H]2CCC[C@H]2C1=O 238207253 573953647 /nfs/dbraw/zinc/95/36/47/573953647.db2.gz HQZIYBMRCPLWEZ-WCBMZHEXSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)c1cc(Cl)n(CCC#N)n1 85018924 573953879 /nfs/dbraw/zinc/95/38/79/573953879.db2.gz CNVABEWIAOQDSH-UHFFFAOYSA-N 0 0 197.669 2.574 10 30 AFEERN N#C[C@@H]1CCC[C@H](C2CC2)C1 81626502 573953937 /nfs/dbraw/zinc/95/39/37/573953937.db2.gz RHCVHZMVJBGKNS-SCZZXKLOSA-N 0 0 149.237 2.726 10 30 AFEERN COc1cc(C)c(Cl)c(C#N)c1 257910076 573954036 /nfs/dbraw/zinc/95/40/36/573954036.db2.gz AQCVHYCJCCBBJA-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN N#C[C@H](c1c[nH]c2cnccc12)C1CC1 259587386 573954510 /nfs/dbraw/zinc/95/45/10/573954510.db2.gz KYTOOJLXGURWBK-JTQLQIEISA-N 0 0 197.241 2.580 10 30 AFEERN C=C[C@@]1(C(C)C)CCC[C@@]1(C)CO 238209492 573954566 /nfs/dbraw/zinc/95/45/66/573954566.db2.gz KRWPZRWTCAVXPD-RYUDHWBXSA-N 0 0 182.307 2.997 10 30 AFEERN CC(C)c1csc(CS)n1 259250382 573954581 /nfs/dbraw/zinc/95/45/81/573954581.db2.gz NRNNYQOKAYACPJ-UHFFFAOYSA-N 0 0 173.306 2.696 10 30 AFEERN Cc1ccccc1[C@H](F)CC=O 258462033 573954666 /nfs/dbraw/zinc/95/46/66/573954666.db2.gz HFETZXHBWVJCSF-SNVBAGLBSA-N 0 0 166.195 2.595 10 30 AFEERN C=C1[C@H](C[C@@H](C)O)[C@@]1(C)C(C)C 238209273 573954692 /nfs/dbraw/zinc/95/46/92/573954692.db2.gz HCLOLQDZVVOKNL-MIMYLULJSA-N 0 0 168.280 2.606 10 30 AFEERN CCCCNc1ccsc1C#N 238209153 573954842 /nfs/dbraw/zinc/95/48/42/573954842.db2.gz REURNLSTPNNLKR-UHFFFAOYSA-N 0 0 180.276 2.832 10 30 AFEERN C#C[C@@H](O)CC1=C(C)CCCC1(C)C 238210355 573954923 /nfs/dbraw/zinc/95/49/23/573954923.db2.gz FBNOJLUMHRLBBW-LLVKDONJSA-N 0 0 192.302 2.897 10 30 AFEERN N#C[C@H]1CCC[C@H](C2CC2)C1 81626497 573954940 /nfs/dbraw/zinc/95/49/40/573954940.db2.gz RHCVHZMVJBGKNS-WPRPVWTQSA-N 0 0 149.237 2.726 10 30 AFEERN C=CC[C@@]1(C(C)C)CCCC1=O 238209935 573954956 /nfs/dbraw/zinc/95/49/56/573954956.db2.gz PUXLMUWLGFZKQY-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H](O)C(C)=C1CCCCC1 238210400 573955170 /nfs/dbraw/zinc/95/51/70/573955170.db2.gz XIBFPTHEMXCCEF-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1[C@H](CC(C)=O)[C@@]1(C)C(C)C 238209239 573957153 /nfs/dbraw/zinc/95/71/53/573957153.db2.gz FHQXULFBVGNGCK-QWRGUYRKSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1coc2cccc(CCC=O)c12 258189652 573957191 /nfs/dbraw/zinc/95/71/91/573957191.db2.gz XHYCWFVGJWWGDO-UHFFFAOYSA-N 0 0 188.226 2.873 10 30 AFEERN C=C[C@@]1(C)CCC[C@H](O)C1(C)C 238209456 573957214 /nfs/dbraw/zinc/95/72/14/573957214.db2.gz ARNACCDEUFKTRO-ONGXEEELSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@H]1CCCC(CO)=C1C 238209785 573957220 /nfs/dbraw/zinc/95/72/20/573957220.db2.gz VLUNFWARGKGTFF-JTQLQIEISA-N 0 0 166.264 2.671 10 30 AFEERN CCC(C)(C)Oc1cccc(C#N)n1 81621085 573957297 /nfs/dbraw/zinc/95/72/97/573957297.db2.gz RDYSUVHLXIJKRN-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN N#C[C@H](C1CCC1)N1CCCCCC1 87585777 573957480 /nfs/dbraw/zinc/95/74/80/573957480.db2.gz UWKCLQOEXGRRSH-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN Cc1ccc(-c2c[nH]c(C#N)c2)cc1 259250109 573957680 /nfs/dbraw/zinc/95/76/80/573957680.db2.gz QKFZLRYKFWTTAM-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN Cc1ccc2c(c1)c(CS)cn2C 257911856 573957715 /nfs/dbraw/zinc/95/77/15/573957715.db2.gz PYEUYZXRCPKODZ-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN CC(C)(F)c1c(F)cccc1C#N 257911700 573957751 /nfs/dbraw/zinc/95/77/51/573957751.db2.gz AVCCMVZVSBNRCT-UHFFFAOYSA-N 0 0 181.185 2.902 10 30 AFEERN CC1=CC[C@@]2(C)CCC[C@@H]2C1=O 197144132 573957873 /nfs/dbraw/zinc/95/78/73/573957873.db2.gz OAXXZVBNDGSIAT-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@]1(C)C[C@H]2[C@@H](CC1=O)C2(C)C 238210976 573959545 /nfs/dbraw/zinc/95/95/45/573959545.db2.gz GZNQHDZUUOZORN-PTRXPTGYSA-N 0 0 178.275 2.814 10 30 AFEERN C=C1[C@@H]2C(=O)CCC[C@H]2C1(C)C 238212023 573958588 /nfs/dbraw/zinc/95/85/88/573958588.db2.gz NYWTUFHBEMSXPZ-SCZZXKLOSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@]1(C=O)CCCC1(C)C 238212444 573958763 /nfs/dbraw/zinc/95/87/63/573958763.db2.gz WETODOILLYXGIK-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C(=O)[C@H]2CCC[C@H]2C1(C)C 238212225 573958903 /nfs/dbraw/zinc/95/89/03/573958903.db2.gz GFJYYNWCIXRJAA-DTWKUNHWSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1ccc(/C=C\CC=O)s1 258191079 573958960 /nfs/dbraw/zinc/95/89/60/573958960.db2.gz MPQWAWBCCYJEGL-RQOWECAXSA-N 0 0 166.245 2.659 10 30 AFEERN Cc1ccc2c(c1)CC[C@H]2CC=O 257920968 573959050 /nfs/dbraw/zinc/95/90/50/573959050.db2.gz RMPHROOTFQDTEE-JTQLQIEISA-N 0 0 174.243 2.614 10 30 AFEERN C=C1CC[C@@H]2[C@H](CC1=O)C2(C)C 238211589 573959058 /nfs/dbraw/zinc/95/90/58/573959058.db2.gz YXRXMOODBXUWEA-BDAKNGLRSA-N 0 0 164.248 2.568 10 30 AFEERN C#CC[C@]1(C)CCCC(C)(C)C1=O 238211387 573959101 /nfs/dbraw/zinc/95/91/01/573959101.db2.gz MVIUZMFAXORQFK-GFCCVEGCSA-N 0 0 178.275 2.795 10 30 AFEERN CC1(C)C(=O)C=C[C@H]2CCC[C@H]21 238212247 573959248 /nfs/dbraw/zinc/95/92/48/573959248.db2.gz PEAXOYRUNHXJSN-RKDXNWHRSA-N 0 0 164.248 2.568 10 30 AFEERN C#CC[C@H](O)[C@]1(CC=C)CCCC1=C 238723287 573959253 /nfs/dbraw/zinc/95/92/53/573959253.db2.gz DXXNVWNLEBJRJO-QWHCGFSZSA-N 0 0 190.286 2.673 10 30 AFEERN C#CCC[C@H]([NH2+]CC)c1ccc(C)o1 127872452 573959273 /nfs/dbraw/zinc/95/92/73/573959273.db2.gz GGDJUGUHNBKEPP-NSHDSACASA-N 0 0 191.274 2.652 10 30 AFEERN C=C(C)[C@@H](O)/C(C)=C\CCC 238211807 573959449 /nfs/dbraw/zinc/95/94/49/573959449.db2.gz LJEHPYYTSWTIRR-UJICNMFASA-N 0 0 154.253 2.670 10 30 AFEERN N#CC[C@@H](CF)C1CCCC1 257913060 573962323 /nfs/dbraw/zinc/96/23/23/573962323.db2.gz ARSTWNUYVUJHSZ-VIFPVBQESA-N 0 0 155.216 2.676 10 30 AFEERN CCCCC#C[C@@H]1CCCCC1=O 238216880 573962367 /nfs/dbraw/zinc/96/23/67/573962367.db2.gz ZJFBXDOQGQJGAN-LLVKDONJSA-N 0 0 178.275 2.939 10 30 AFEERN C=CCC[C@@H]1CCC(=O)C=C1C 238217011 573962471 /nfs/dbraw/zinc/96/24/71/573962471.db2.gz FZBBMQPRBJHNOS-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN CCCCC#C[C@@H](O)[C@H]1CC=CCC1 238216604 573962663 /nfs/dbraw/zinc/96/26/63/573962663.db2.gz NGYXDOVVKSTQCZ-QWHCGFSZSA-N 0 0 192.302 2.897 10 30 AFEERN CC1=CC(=O)C2=CCCCC[C@H]12 238216146 573962683 /nfs/dbraw/zinc/96/26/83/573962683.db2.gz RWPVAUXERJMHHU-SECBINFHSA-N 0 0 162.232 2.632 10 30 AFEERN CC(C)(F)c1cccc(C#N)c1 257913496 573962723 /nfs/dbraw/zinc/96/27/23/573962723.db2.gz BCDVFWNSIFGQOT-UHFFFAOYSA-N 0 0 163.195 2.763 10 30 AFEERN CCCCC#C[C@@H](O)c1ccc(C)o1 238216769 573962746 /nfs/dbraw/zinc/96/27/46/573962746.db2.gz CEDLQHZBNVEETJ-LLVKDONJSA-N 0 0 192.258 2.815 10 30 AFEERN CC1=CC(=O)CC12CCCCC2 238216639 573962909 /nfs/dbraw/zinc/96/29/09/573962909.db2.gz XHKCXNVIRZXSFQ-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CC1=CC(=O)C2=CCCCC[C@@H]12 238216135 573962995 /nfs/dbraw/zinc/96/29/95/573962995.db2.gz RWPVAUXERJMHHU-VIFPVBQESA-N 0 0 162.232 2.632 10 30 AFEERN CC1=CC(=O)C(C)(C)CCC1 238215933 573963063 /nfs/dbraw/zinc/96/30/63/573963063.db2.gz CIRNPQADPDQPOG-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CCCCC#C[C@H](O)[C@@H]1CC=CCC1 238218300 573967290 /nfs/dbraw/zinc/96/72/90/573967290.db2.gz NGYXDOVVKSTQCZ-OLZOCXBDSA-N 0 0 192.302 2.897 10 30 AFEERN C=C1[C@@H]2CCCC(=O)[C@@H]2C1(C)C 238219605 573967440 /nfs/dbraw/zinc/96/74/40/573967440.db2.gz NIOOZVREDUIDIN-WCBMZHEXSA-N 0 0 164.248 2.568 10 30 AFEERN CCCC#CC[C@H](O)C(C)(C)C 238219391 573967464 /nfs/dbraw/zinc/96/74/64/573967464.db2.gz JXFGYRHFOKRTFR-JTQLQIEISA-N 0 0 168.280 2.587 10 30 AFEERN CC(C)CC[C@@](C)(O)C1(C#N)CCC1 393654775 573967615 /nfs/dbraw/zinc/96/76/15/573967615.db2.gz GLRZRQORTMYVIK-LLVKDONJSA-N 0 0 195.306 2.867 10 30 AFEERN CC1(C)[C@@H]2C[C@H]1CC[C@]2(C)C=O 238218277 573968050 /nfs/dbraw/zinc/96/80/50/573968050.db2.gz ABAFKQHGFDZEJO-WCABBAIRSA-N 0 0 166.264 2.648 10 30 AFEERN CCCCC#C[C@]1(C)CCC(=O)C1 238218977 573968073 /nfs/dbraw/zinc/96/80/73/573968073.db2.gz NMSXYTPAXCMJCU-GFCCVEGCSA-N 0 0 178.275 2.939 10 30 AFEERN CC1=CC[C@H](C(C)C)[C@H](C=O)C1 238227387 573969320 /nfs/dbraw/zinc/96/93/20/573969320.db2.gz RTPGBPOUECVJJK-WDEREUQCSA-N 0 0 166.264 2.814 10 30 AFEERN CC1(C)[C@H]2C(=O)C3=C(CCCC3)[C@H]21 238227719 573969395 /nfs/dbraw/zinc/96/93/95/573969395.db2.gz RIQGUUFHLTWQDH-NXEZZACHSA-N 0 0 176.259 2.712 10 30 AFEERN CC1(C)C=C[C@@](C)(C=O)CC1 238227445 573969409 /nfs/dbraw/zinc/96/94/09/573969409.db2.gz FOYKYVJFEFNMAY-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN O=CC[C@H]1CSc2cccc(F)c21 258191638 573969418 /nfs/dbraw/zinc/96/94/18/573969418.db2.gz TYTSRKUMBSCNOQ-ZETCQYMHSA-N 0 0 196.246 2.604 10 30 AFEERN C=C1CC[C@H]2C(C)=CCCC(=O)[C@@H]12 238228676 573969481 /nfs/dbraw/zinc/96/94/81/573969481.db2.gz JHMUIZFOYOWGET-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN C#CC[C@H](O)c1ccc(Cl)cc1C 235853945 573969507 /nfs/dbraw/zinc/96/95/07/573969507.db2.gz NZPARFIYZRBZOU-NSHDSACASA-N 0 0 194.661 2.705 10 30 AFEERN C=C1C(C)(C)[C@H]2CC[C@]1(C)C(=O)C2 238228820 573969631 /nfs/dbraw/zinc/96/96/31/573969631.db2.gz NPCJKINQDIJFNW-CABZTGNLSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cc(Cl)ccc1[C@@H](O)CC#N 235853984 573969682 /nfs/dbraw/zinc/96/96/82/573969682.db2.gz FLKFZOQXBBVGGE-JTQLQIEISA-N 0 0 195.649 2.596 10 30 AFEERN C=C1CC[C@@H]2C(C)=CCCC(=O)[C@@H]12 238228665 573969685 /nfs/dbraw/zinc/96/96/85/573969685.db2.gz JHMUIZFOYOWGET-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1CC[C@@H]2C(C)=CCCC(=O)[C@H]12 238228739 573969821 /nfs/dbraw/zinc/96/98/21/573969821.db2.gz JHMUIZFOYOWGET-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@H]1C[C@@]1(C#N)c1cc(F)ccc1F 259030722 573969837 /nfs/dbraw/zinc/96/98/37/573969837.db2.gz RHLLXRLPNOHALG-CPCISQLKSA-N 0 0 193.196 2.766 10 30 AFEERN C=C1CC[C@H]2C(C)=CCCC(=O)[C@H]12 238228751 573969858 /nfs/dbraw/zinc/96/98/58/573969858.db2.gz JHMUIZFOYOWGET-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1CC[C@H](C(C)C)C[C@@H]1CO 238228047 573969898 /nfs/dbraw/zinc/96/98/98/573969898.db2.gz ZSLHRSGWPZZWMI-WDEREUQCSA-N 0 0 168.280 2.607 10 30 AFEERN C=C1C[C@@H]2[C@@H]1C(=O)CC[C@@H]2C(C)C 238228680 573969911 /nfs/dbraw/zinc/96/99/11/573969911.db2.gz CXTDTUDSEIZSPS-JFGNBEQYSA-N 0 0 178.275 2.814 10 30 AFEERN Cc1ccc2c(C#N)csc2c1O 306944823 573969949 /nfs/dbraw/zinc/96/99/49/573969949.db2.gz JVIYSCJKSSAKGW-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN SCC[C@@H]1CCC[C@@H](S)C1 104394282 573972268 /nfs/dbraw/zinc/97/22/68/573972268.db2.gz UGWNXYHJYAYQIQ-JGVFFNPUSA-N 0 0 176.350 2.795 10 30 AFEERN N#CC1(Sc2ccccc2F)CC1 85084725 573972466 /nfs/dbraw/zinc/97/24/66/573972466.db2.gz DFFCYHLKERZJIG-UHFFFAOYSA-N 0 0 193.246 2.974 10 30 AFEERN CC1=CCCC(C)(C)[C@@]1(Cl)C=O 238229119 573972508 /nfs/dbraw/zinc/97/25/08/573972508.db2.gz CGRIXOBYHJOZCI-SNVBAGLBSA-N 0 0 186.682 2.929 10 30 AFEERN CC1=CCCC(C)(C)[C@]1(Cl)C=O 238229509 573972714 /nfs/dbraw/zinc/97/27/14/573972714.db2.gz CGRIXOBYHJOZCI-JTQLQIEISA-N 0 0 186.682 2.929 10 30 AFEERN C=C[C@H](O)[C@H]1C(C)=CCCC1(C)C 238229414 573974707 /nfs/dbraw/zinc/97/47/07/573974707.db2.gz NXVMGZNPDGPJCA-WDEREUQCSA-N 0 0 180.291 2.916 10 30 AFEERN C#CCCC1(C#N)Cc2ccccc2C1 308822442 573974871 /nfs/dbraw/zinc/97/48/71/573974871.db2.gz YXQISMPXCJEKJW-UHFFFAOYSA-N 0 0 195.265 2.709 10 30 AFEERN C=C1OC2=C(C(=O)CCC2)C1(C)C 238229584 573974987 /nfs/dbraw/zinc/97/49/87/573974987.db2.gz AHODJTWTVXZOPM-UHFFFAOYSA-N 0 0 178.231 2.564 10 30 AFEERN SCC[C@@H]1CCC[C@H](S)C1 104394288 573975013 /nfs/dbraw/zinc/97/50/13/573975013.db2.gz UGWNXYHJYAYQIQ-YUMQZZPRSA-N 0 0 176.350 2.795 10 30 AFEERN C=C[C@H]1C(=O)CCC[C@@H]1C(C)C 238229867 573975041 /nfs/dbraw/zinc/97/50/41/573975041.db2.gz NRGIIDYGBCRQHE-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN CC1=CCCCC(C)(C)C1=O 238229857 573975080 /nfs/dbraw/zinc/97/50/80/573975080.db2.gz USZAPXHKQYPIDL-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(Cl)C[C@@H](C)C(=O)CC 238230418 573975187 /nfs/dbraw/zinc/97/51/87/573975187.db2.gz LAQAUOGPCNLNKC-ZCFIWIBFSA-N 0 0 160.644 2.744 10 30 AFEERN CC(C)c1cc(CCC#N)ccc1O 238229442 573975263 /nfs/dbraw/zinc/97/52/63/573975263.db2.gz WUWUYXCSXGCOLV-UHFFFAOYSA-N 0 0 189.258 2.972 10 30 AFEERN C=C[C@@H](O)[C@H]1C(C)=CCCC1(C)C 238229434 573975294 /nfs/dbraw/zinc/97/52/94/573975294.db2.gz NXVMGZNPDGPJCA-GHMZBOCLSA-N 0 0 180.291 2.916 10 30 AFEERN C=C1CC(C)=CCCCC1=O 238229808 573975324 /nfs/dbraw/zinc/97/53/24/573975324.db2.gz PEUWDNXVAVGXNR-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CO[C@H](C#N)c1ccc(Cl)c(F)c1 85090849 573976343 /nfs/dbraw/zinc/97/63/43/573976343.db2.gz LIKYXXCLGYYTDE-SECBINFHSA-N 0 0 199.612 2.690 10 30 AFEERN C[C@H](S)c1ccc2[nH]cnc2c1 259255147 573975645 /nfs/dbraw/zinc/97/56/45/573975645.db2.gz NXMXBINGASOBOP-LURJTMIESA-N 0 0 178.260 2.554 10 30 AFEERN C=C[C@@H](O)[C@@H]1C(C)=CCCC1(C)C 238229029 573975741 /nfs/dbraw/zinc/97/57/41/573975741.db2.gz NXVMGZNPDGPJCA-MNOVXSKESA-N 0 0 180.291 2.916 10 30 AFEERN CC(C)[C@H]1CCC/C=C/C(=O)C1 238229601 573975841 /nfs/dbraw/zinc/97/58/41/573975841.db2.gz UVKPCNGOVRZCBJ-STUBTGCMSA-N 0 0 166.264 2.958 10 30 AFEERN CCOC1(C#N)C[C@@H](C)C[C@H](C)C1 85090665 573975903 /nfs/dbraw/zinc/97/59/03/573975903.db2.gz PRBBBRUHYIHSRI-UWVGGRQHSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@]1(C#N)CCC[C@@H](C2CC2)C1 85090341 573975941 /nfs/dbraw/zinc/97/59/41/573975941.db2.gz FFVVDFUXRKAUDT-VXGBXAGGSA-N 0 0 193.290 2.885 10 30 AFEERN CCO[C@@H](C#N)c1cc(C)ccc1C 85090316 573975954 /nfs/dbraw/zinc/97/59/54/573975954.db2.gz RGSWIZXKHIMERG-LBPRGKRZSA-N 0 0 189.258 2.905 10 30 AFEERN CO[C@H](C#N)c1ccc(Cl)cc1 85090886 573975960 /nfs/dbraw/zinc/97/59/60/573975960.db2.gz LPIFYIYDRWWQJE-SECBINFHSA-N 0 0 181.622 2.551 10 30 AFEERN CCO[C@H](C#N)c1cccc(C)c1C 85090659 573975967 /nfs/dbraw/zinc/97/59/67/573975967.db2.gz ISPOQAHELDRMMR-GFCCVEGCSA-N 0 0 189.258 2.905 10 30 AFEERN CCO[C@H](C#N)c1ccc(F)c(F)c1 85090672 573975970 /nfs/dbraw/zinc/97/59/70/573975970.db2.gz IXPMIPNLPWZKEU-SNVBAGLBSA-N 0 0 197.184 2.566 10 30 AFEERN CO[C@]1(C#N)C[C@H](C)CC(C)(C)C1 85090946 573975973 /nfs/dbraw/zinc/97/59/73/573975973.db2.gz MKSGUHCOPRQLLT-MWLCHTKSSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@]1(C#N)CCCC[C@@H]1CC 85090439 573975977 /nfs/dbraw/zinc/97/59/77/573975977.db2.gz YDEICXFDQWKEDF-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CO[C@@]1(C#N)C[C@H](C)CC(C)(C)C1 85090944 573975995 /nfs/dbraw/zinc/97/59/95/573975995.db2.gz MKSGUHCOPRQLLT-KOLCDFICSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@@H](C#N)c1cc(C)cc(C)c1 85090453 573976006 /nfs/dbraw/zinc/97/60/06/573976006.db2.gz LWFQWZGXQVTVRG-LBPRGKRZSA-N 0 0 189.258 2.905 10 30 AFEERN CCO[C@@]1(C#N)CCC[C@@H](C2CC2)C1 85090342 573976013 /nfs/dbraw/zinc/97/60/13/573976013.db2.gz FFVVDFUXRKAUDT-NEPJUHHUSA-N 0 0 193.290 2.885 10 30 AFEERN CCO[C@H](C#N)c1cc(C)cc(C)c1 85090454 573976030 /nfs/dbraw/zinc/97/60/30/573976030.db2.gz LWFQWZGXQVTVRG-GFCCVEGCSA-N 0 0 189.258 2.905 10 30 AFEERN CCO[C@@]1(C#N)CCCC(C)(C)C1 85090324 573976053 /nfs/dbraw/zinc/97/60/53/573976053.db2.gz FCQFRTISYSYUPI-NSHDSACASA-N 0 0 181.279 2.885 10 30 AFEERN CO[C@H](C#N)c1c(C)cc(C)cc1C 85090897 573976078 /nfs/dbraw/zinc/97/60/78/573976078.db2.gz YJEZDEQHJMOYDE-LLVKDONJSA-N 0 0 189.258 2.823 10 30 AFEERN CCO[C@@H](C#N)c1ccccc1C 85090580 573976082 /nfs/dbraw/zinc/97/60/82/573976082.db2.gz HWCHWMIHQDQREG-NSHDSACASA-N 0 0 175.231 2.596 10 30 AFEERN CCO[C@@H](C#N)c1ccc(C)s1 85090449 573976134 /nfs/dbraw/zinc/97/61/34/573976134.db2.gz QFRIFLRLQBEPMJ-QMMMGPOBSA-N 0 0 181.260 2.658 10 30 AFEERN CO[C@@H](C#N)c1ccc(SC)cc1 85091078 573976146 /nfs/dbraw/zinc/97/61/46/573976146.db2.gz QJMVCWKEROVHDK-JTQLQIEISA-N 0 0 193.271 2.620 10 30 AFEERN CO[C@@H](C#N)c1cc(C)sc1C 85090863 573976181 /nfs/dbraw/zinc/97/61/81/573976181.db2.gz JHIUIESQFJEKHZ-VIFPVBQESA-N 0 0 181.260 2.576 10 30 AFEERN CCO[C@H](C#N)c1c(F)cccc1F 85090697 573976199 /nfs/dbraw/zinc/97/61/99/573976199.db2.gz UGAPMCJVPKLLSD-SECBINFHSA-N 0 0 197.184 2.566 10 30 AFEERN CO[C@@H](C#N)c1ccc(Cl)cc1 85090885 573976221 /nfs/dbraw/zinc/97/62/21/573976221.db2.gz LPIFYIYDRWWQJE-VIFPVBQESA-N 0 0 181.622 2.551 10 30 AFEERN CCC(CC)=C1NC(C)=C(C)C1=O 238221221 573976224 /nfs/dbraw/zinc/97/62/24/573976224.db2.gz IWTHERBOFZEZOS-UHFFFAOYSA-N 0 0 179.263 2.527 10 30 AFEERN CO[C@H](C#N)c1cc(C)ccc1C 85090768 573976257 /nfs/dbraw/zinc/97/62/57/573976257.db2.gz DNNBZHIFYAYFHD-LLVKDONJSA-N 0 0 175.231 2.515 10 30 AFEERN CCO[C@H](C#N)c1cc(C)ccc1C 85090317 573976277 /nfs/dbraw/zinc/97/62/77/573976277.db2.gz RGSWIZXKHIMERG-GFCCVEGCSA-N 0 0 189.258 2.905 10 30 AFEERN CO[C@@H](C#N)c1ccc(C)c(C)c1 85090970 573976313 /nfs/dbraw/zinc/97/63/13/573976313.db2.gz MYCNOHKVZVLBEW-NSHDSACASA-N 0 0 175.231 2.515 10 30 AFEERN CCO[C@]1(C#N)CCC[C@@H](C)CC1 85090478 573976317 /nfs/dbraw/zinc/97/63/17/573976317.db2.gz CSWHTISKKXBHDV-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@@H](C#N)c1ccc(C)c(F)c1 85090451 573976338 /nfs/dbraw/zinc/97/63/38/573976338.db2.gz JZZZXYFKNYTQQH-NSHDSACASA-N 0 0 193.221 2.735 10 30 AFEERN CCO[C@]1(C#N)CCC[C@H](CC)C1 85090425 573977804 /nfs/dbraw/zinc/97/78/04/573977804.db2.gz NSRIUZPSKYQENH-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@](C)(C#N)C1CCCCC1 85090363 573977810 /nfs/dbraw/zinc/97/78/10/573977810.db2.gz PDWYJVYXBLXFSO-LLVKDONJSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@]1(C#N)CC[C@H](C)C[C@@H]1C 85090416 573977829 /nfs/dbraw/zinc/97/78/29/573977829.db2.gz HYLRUHLUVSCBAE-DCAQKATOSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@@H](C#N)c1ccc(F)c(F)c1 85090671 573978705 /nfs/dbraw/zinc/97/87/05/573978705.db2.gz IXPMIPNLPWZKEU-JTQLQIEISA-N 0 0 197.184 2.566 10 30 AFEERN CCO[C@@H](C#N)c1cccc(C)c1C 85090658 573978727 /nfs/dbraw/zinc/97/87/27/573978727.db2.gz ISPOQAHELDRMMR-LBPRGKRZSA-N 0 0 189.258 2.905 10 30 AFEERN CC[C@@H]1CCC[C@@](C#N)(OC)CC1 85090797 573977834 /nfs/dbraw/zinc/97/78/34/573977834.db2.gz MVRZOBAQJZXDDX-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@H](C#N)c1cccc(Cl)c1 85090699 573977858 /nfs/dbraw/zinc/97/78/58/573977858.db2.gz WPTPLRWNEGASFC-SNVBAGLBSA-N 0 0 195.649 2.941 10 30 AFEERN CCO[C@@H](C#N)c1cccc(F)c1F 85090396 573977867 /nfs/dbraw/zinc/97/78/67/573977867.db2.gz KHERQNIWGDGKEU-VIFPVBQESA-N 0 0 197.184 2.566 10 30 AFEERN CO[C@]1(C#N)CCCC(C)(C)CC1 85091200 573977872 /nfs/dbraw/zinc/97/78/72/573977872.db2.gz VQPJBGAGXBHLIZ-LLVKDONJSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@@H](C#N)c1ccc(C)cc1C 85090358 573977885 /nfs/dbraw/zinc/97/78/85/573977885.db2.gz VWKRNWGOIAFQSZ-LBPRGKRZSA-N 0 0 189.258 2.905 10 30 AFEERN CCO[C@@H](C#N)c1ccc(C)c(C)c1 85090512 573977891 /nfs/dbraw/zinc/97/78/91/573977891.db2.gz RUJSSNNZEWWLHT-LBPRGKRZSA-N 0 0 189.258 2.905 10 30 AFEERN CCO[C@@]1(C#N)CCC[C@H](CC)C1 85090427 573977976 /nfs/dbraw/zinc/97/79/76/573977976.db2.gz NSRIUZPSKYQENH-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CCOC1(C#N)CCC(CC)CC1 85090320 573977988 /nfs/dbraw/zinc/97/79/88/573977988.db2.gz JKYXCCZXOJJALW-UHFFFAOYSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@]1(C#N)CC[C@H](C)[C@H](C)C1 85090382 573978002 /nfs/dbraw/zinc/97/80/02/573978002.db2.gz RVRQHFFYKSTGBZ-HBNTYKKESA-N 0 0 181.279 2.741 10 30 AFEERN CCC(=CCCC=O)CC 238220544 573978025 /nfs/dbraw/zinc/97/80/25/573978025.db2.gz RWQNRDHKMKBJNX-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN CCO[C@H](C#N)C1CCCCCC1 85090557 573978038 /nfs/dbraw/zinc/97/80/38/573978038.db2.gz BHCDMKAOCGREPX-LLVKDONJSA-N 0 0 181.279 2.885 10 30 AFEERN CCCC#C/C=C/[C@H](O)CCC 238221619 573978067 /nfs/dbraw/zinc/97/80/67/573978067.db2.gz LIJOPJINSPNORA-RJCSOLBVSA-N 0 0 166.264 2.507 10 30 AFEERN CCO[C@@H](C#N)c1cccc(C)c1 85090584 573978069 /nfs/dbraw/zinc/97/80/69/573978069.db2.gz OOOAZUCJFMTMGE-NSHDSACASA-N 0 0 175.231 2.596 10 30 AFEERN CCCCCC/C=C/C1OCCO1 104402900 573978071 /nfs/dbraw/zinc/97/80/71/573978071.db2.gz DLZIXQSBEAUZCY-BQYQJAHWSA-N 0 0 184.279 2.886 10 30 AFEERN CCO[C@@]1(C#N)CCC[C@@H](C)CC1 85090479 573978107 /nfs/dbraw/zinc/97/81/07/573978107.db2.gz CSWHTISKKXBHDV-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN C=CC[C@H]1C(=O)C=C(C)C1(C)C 238221601 573978122 /nfs/dbraw/zinc/97/81/22/573978122.db2.gz ODFXIZRUHNDTSI-VIFPVBQESA-N 0 0 164.248 2.734 10 30 AFEERN CO[C@@H](C#N)c1cc(C)cc(C)c1 85090908 573978165 /nfs/dbraw/zinc/97/81/65/573978165.db2.gz HQCRBEKMGMEUIK-NSHDSACASA-N 0 0 175.231 2.515 10 30 AFEERN CCO[C@H](C#N)c1ccc(C)cc1C 85090359 573978213 /nfs/dbraw/zinc/97/82/13/573978213.db2.gz VWKRNWGOIAFQSZ-GFCCVEGCSA-N 0 0 189.258 2.905 10 30 AFEERN CC1=CC(=O)[C@@H]2CC[C@@H]3CC[C@@H]1[C@@H]32 238220497 573978280 /nfs/dbraw/zinc/97/82/80/573978280.db2.gz DDJZVNHMTQCZGI-QFOLPQNPSA-N 0 0 176.259 2.568 10 30 AFEERN CCO[C@]1(C#N)CC[C@@H](C)[C@H](C)C1 85090384 573978291 /nfs/dbraw/zinc/97/82/91/573978291.db2.gz RVRQHFFYKSTGBZ-GMTAPVOTSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@H](C#N)c1ccc(F)c(C)c1 85090524 573978311 /nfs/dbraw/zinc/97/83/11/573978311.db2.gz DYTQDHFFPHPZSD-LLVKDONJSA-N 0 0 193.221 2.735 10 30 AFEERN CCO[C@@]1(C#N)CCCC[C@H]1CC 85090440 573978327 /nfs/dbraw/zinc/97/83/27/573978327.db2.gz YDEICXFDQWKEDF-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN CO[C@H](C#N)c1cc(C)cc(C)c1 85090907 573978399 /nfs/dbraw/zinc/97/83/99/573978399.db2.gz HQCRBEKMGMEUIK-LLVKDONJSA-N 0 0 175.231 2.515 10 30 AFEERN CCO[C@H](C#N)c1ccc(C)s1 85090450 573978444 /nfs/dbraw/zinc/97/84/44/573978444.db2.gz QFRIFLRLQBEPMJ-MRVPVSSYSA-N 0 0 181.260 2.658 10 30 AFEERN CO[C@H](C#N)c1ccc(C)c(C)c1 85090969 573978472 /nfs/dbraw/zinc/97/84/72/573978472.db2.gz MYCNOHKVZVLBEW-LLVKDONJSA-N 0 0 175.231 2.515 10 30 AFEERN CCO[C@H](C#N)[C@@H]1CCC[C@H](C)C1 85090630 573978477 /nfs/dbraw/zinc/97/84/77/573978477.db2.gz MHKPBSXQDZMBHW-HBNTYKKESA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@]1(C#N)CCCC[C@H]1CC 85090438 573978499 /nfs/dbraw/zinc/97/84/99/573978499.db2.gz YDEICXFDQWKEDF-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@@]1(C#N)CCC[C@H](C)CC1 85090477 573978538 /nfs/dbraw/zinc/97/85/38/573978538.db2.gz CSWHTISKKXBHDV-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@]1(C#N)CC[C@@H](C)C[C@@H]1C 85090418 573978575 /nfs/dbraw/zinc/97/85/75/573978575.db2.gz HYLRUHLUVSCBAE-VWYCJHECSA-N 0 0 181.279 2.741 10 30 AFEERN CCc1ccc([C@@H](C#N)OC)s1 85090987 573978598 /nfs/dbraw/zinc/97/85/98/573978598.db2.gz BJFLULPBWAHVNS-MRVPVSSYSA-N 0 0 181.260 2.522 10 30 AFEERN CCO[C@@H](C#N)c1cc(C)sc1C 85090408 573978606 /nfs/dbraw/zinc/97/86/06/573978606.db2.gz RWQGSRBHHCDEDF-JTQLQIEISA-N 0 0 195.287 2.966 10 30 AFEERN CC1=CC(=O)[C@@]23CCCC[C@@]12CC3 238221444 573978613 /nfs/dbraw/zinc/97/86/13/573978613.db2.gz UIJRSRFSBIMMMO-NEPJUHHUSA-N 0 0 176.259 2.856 10 30 AFEERN CCO[C@]1(C#N)C[C@H](C)CC[C@@H]1C 85090700 573978654 /nfs/dbraw/zinc/97/86/54/573978654.db2.gz KCTAYDHIRCSSMQ-VWYCJHECSA-N 0 0 181.279 2.741 10 30 AFEERN CC1=CC(=O)[C@@]2(C)CCCC[C@@H]12 238220988 573978671 /nfs/dbraw/zinc/97/86/71/573978671.db2.gz FJNKHTAABNORNO-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@H]1CC(=O)C[C@H]1/C=C/CC 238223940 573979500 /nfs/dbraw/zinc/97/95/00/573979500.db2.gz LJVAIIOJKVNAME-FQNVXPIYSA-N 0 0 164.248 2.734 10 30 AFEERN CCCCC(=O)C=C1CCC1 238222850 573979530 /nfs/dbraw/zinc/97/95/30/573979530.db2.gz QQNQJNWNEOMHML-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN C=CC[C@]1(C)CCC(C)=CC1=O 238222599 573979778 /nfs/dbraw/zinc/97/97/78/573979778.db2.gz JJTIIZPFZKYOCT-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN N#CC1(Sc2ccc(F)cc2)CC1 85100243 573979782 /nfs/dbraw/zinc/97/97/82/573979782.db2.gz DQOOZZUEKAHUBU-UHFFFAOYSA-N 0 0 193.246 2.974 10 30 AFEERN CC1=CC(C)(C)C[C@@](C)(C=O)C1 238223922 573979988 /nfs/dbraw/zinc/97/99/88/573979988.db2.gz VMPQITOYDHFLLN-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN CC/C=C/[C@@H]1CCC[C@H]1C=O 238223983 573980049 /nfs/dbraw/zinc/98/00/49/573980049.db2.gz ZDLBYHAYYAXUMB-AEJJFCSLSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CC(=O)[C@]2(C)[C@H]1C21CCCC1 238222972 573980265 /nfs/dbraw/zinc/98/02/65/573980265.db2.gz IKNALRXIYGIKMR-WDEREUQCSA-N 0 0 176.259 2.712 10 30 AFEERN CCCC(C(C)=O)=C(C)C 238222886 573980271 /nfs/dbraw/zinc/98/02/71/573980271.db2.gz LMAMZNXXGFCOER-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN C=C1C(=O)[C@@H]2CCC[C@@H]2C1(C)C 238225553 573983985 /nfs/dbraw/zinc/98/39/85/573983985.db2.gz GFJYYNWCIXRJAA-BDAKNGLRSA-N 0 0 164.248 2.568 10 30 AFEERN CC1(C)C(=O)C=C[C@H]2CCC[C@@H]21 238225450 573983992 /nfs/dbraw/zinc/98/39/92/573983992.db2.gz PEAXOYRUNHXJSN-BDAKNGLRSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1C=C(C)C(=O)C[C@@H]1C(C)C 238225869 573984003 /nfs/dbraw/zinc/98/40/03/573984003.db2.gz NJCKQWWFSNWGNQ-SNVBAGLBSA-N 0 0 164.248 2.734 10 30 AFEERN CC(C)(C)[C@@H]1CCC(O)=C(C=O)C1 110898872 573984005 /nfs/dbraw/zinc/98/40/05/573984005.db2.gz DHQHUIAZXSDYLP-FCZSHJHJSA-N 0 0 182.263 2.844 10 30 AFEERN C=CCN(CCCCCCC)C(C)=O 104435838 573983287 /nfs/dbraw/zinc/98/32/87/573983287.db2.gz BPESEEMDEXGCOV-UHFFFAOYSA-N 0 0 197.322 2.991 10 30 AFEERN CCC1(CC)CCC[C@@H](C#N)C1=O 238224698 573983289 /nfs/dbraw/zinc/98/32/89/573983289.db2.gz NEEQGVBGPIPALN-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C=CCC1C=C(C)C(=O)C(C)=C1 238225518 573984015 /nfs/dbraw/zinc/98/40/15/573984015.db2.gz ZNPKIWSHVRFWDJ-UHFFFAOYSA-N 0 0 162.232 2.654 10 30 AFEERN CC1(C)CC[C@@]2(C)C=CC(=O)C[C@H]12 238225307 573983407 /nfs/dbraw/zinc/98/34/07/573983407.db2.gz ZWEIRABNBSWEGX-ZYHUDNBSSA-N 0 0 178.275 2.958 10 30 AFEERN O=C(C=CO)c1ccccc1Cl 110898808 573983528 /nfs/dbraw/zinc/98/35/28/573983528.db2.gz JRKNSCLNADJESV-AATRIKPKSA-N 0 0 182.606 2.594 10 30 AFEERN CCC1(CC)CCC[C@H](C#N)C1=O 238224758 573983703 /nfs/dbraw/zinc/98/37/03/573983703.db2.gz NEEQGVBGPIPALN-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)C[C@@H](C#N)C(C)(C)F 258465332 573986655 /nfs/dbraw/zinc/98/66/55/573986655.db2.gz HQNIWYIWKKNFEP-QMMMGPOBSA-N 0 0 157.232 2.920 10 30 AFEERN CCc1oc(C#N)c2c1CCCC2 259592171 573986686 /nfs/dbraw/zinc/98/66/86/573986686.db2.gz AAGRJLOFUJHXQU-UHFFFAOYSA-N 0 0 175.231 2.592 10 30 AFEERN C=C[C@H]1CC(=O)C[C@@H]1/C=C/CC 238224850 573986000 /nfs/dbraw/zinc/98/60/00/573986000.db2.gz LJVAIIOJKVNAME-QEBMPYFUSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@@H]1C(=O)[C@@H]2CCC[C@@H]2C1(C)C 238225573 573986027 /nfs/dbraw/zinc/98/60/27/573986027.db2.gz IZDMBVURGVLVMU-BBBLOLIVSA-N 0 0 178.275 2.814 10 30 AFEERN CCCCC[C@H](C)[C@@H]1CO1 238230523 573986272 /nfs/dbraw/zinc/98/62/72/573986272.db2.gz VJXMADSGAKPICT-IUCAKERBSA-N 0 0 142.242 2.602 10 30 AFEERN CCC1CC(C#N)(c2cccnc2)C1 87617398 573986288 /nfs/dbraw/zinc/98/62/88/573986288.db2.gz XQILZRVIGPSWTR-UHFFFAOYSA-N 0 0 186.258 2.663 10 30 AFEERN C=C[C@H](O)C[C@H]1CCCC=C1C 238230365 573986325 /nfs/dbraw/zinc/98/63/25/573986325.db2.gz RWITVGSSYDJPDE-MNOVXSKESA-N 0 0 166.264 2.670 10 30 AFEERN CC1(C)CC[C@H](CCC#N)C(=O)C1 238226149 573986329 /nfs/dbraw/zinc/98/63/29/573986329.db2.gz GOPZXXLACJHKFL-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN CCCC(=O)C1=C(C)CCC1 238226300 573986332 /nfs/dbraw/zinc/98/63/32/573986332.db2.gz ORQFIGCHGCJBTB-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CC1(C)C(=O)C=C1c1ccccc1 238230606 573986345 /nfs/dbraw/zinc/98/63/45/573986345.db2.gz HGWNRDYMXYGDSK-UHFFFAOYSA-N 0 0 172.227 2.679 10 30 AFEERN CC/C=N/c1ccc(C)cc1N 238226421 573986379 /nfs/dbraw/zinc/98/63/79/573986379.db2.gz YTSPSVOCABLOST-WUXMJOGZSA-N 0 0 162.236 2.690 10 30 AFEERN CC[C@@H](C)[C@H](C#N)c1cccnc1 87617404 573986384 /nfs/dbraw/zinc/98/63/84/573986384.db2.gz MDPYQELCUOMIPO-KOLCDFICSA-N 0 0 174.247 2.735 10 30 AFEERN C[C@H]1CCC[C@]1(C#N)c1cccnc1 87617380 573986388 /nfs/dbraw/zinc/98/63/88/573986388.db2.gz SGLNTHYQFLYAOV-CMPLNLGQSA-N 0 0 186.258 2.663 10 30 AFEERN C[C@@H]1CCC[C@]1(C#N)c1cccnc1 87617378 573986451 /nfs/dbraw/zinc/98/64/51/573986451.db2.gz SGLNTHYQFLYAOV-ZYHUDNBSSA-N 0 0 186.258 2.663 10 30 AFEERN N#C[C@H]1CCc2c1ccc(F)c2F 104458130 573986480 /nfs/dbraw/zinc/98/64/80/573986480.db2.gz BDQHWIBOYJCHCQ-ZCFIWIBFSA-N 0 0 179.169 2.518 10 30 AFEERN CC(C)[C@H](C=O)C1C=CC=CC=C1 238225898 573987056 /nfs/dbraw/zinc/98/70/56/573987056.db2.gz ZMOZOOSQTYTQBJ-LBPRGKRZSA-N 0 0 176.259 2.756 10 30 AFEERN CC/C=N/c1cc(C)c(C)cc1N 238226379 573987102 /nfs/dbraw/zinc/98/71/02/573987102.db2.gz AGYIQYBJMSYDCG-WLRTZDKTSA-N 0 0 176.263 2.998 10 30 AFEERN CC1=CCCC[C@]12C=CC(=O)C2 238230620 573987136 /nfs/dbraw/zinc/98/71/36/573987136.db2.gz SSCBFMRPWQLUKU-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN COc1ccc(C2(C#N)CC2)c(C)c1 104460607 573987181 /nfs/dbraw/zinc/98/71/81/573987181.db2.gz QRTDCDLVTIDQLE-UHFFFAOYSA-N 0 0 187.242 2.559 10 30 AFEERN CCCCC[C@H](C)[C@H]1CO1 238230632 573987207 /nfs/dbraw/zinc/98/72/07/573987207.db2.gz VJXMADSGAKPICT-DTWKUNHWSA-N 0 0 142.242 2.602 10 30 AFEERN N#C[C@@H]1CCc2c(F)cc(F)cc21 104458134 573987261 /nfs/dbraw/zinc/98/72/61/573987261.db2.gz ANRDTSISAZJYGS-LURJTMIESA-N 0 0 179.169 2.518 10 30 AFEERN CC(=O)/C=C/C1CCC(C)CC1 82188124 573987286 /nfs/dbraw/zinc/98/72/86/573987286.db2.gz PPRBBLPVMVJBQO-VMPITWQZSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1CCC[C@@]1(C#N)c1ccccn1 87617253 573987310 /nfs/dbraw/zinc/98/73/10/573987310.db2.gz JYCPXAZPCQHIJE-PWSUYJOCSA-N 0 0 186.258 2.663 10 30 AFEERN CC(C)C[C@H](C#N)C(C)(C)F 258465331 573987356 /nfs/dbraw/zinc/98/73/56/573987356.db2.gz HQNIWYIWKKNFEP-MRVPVSSYSA-N 0 0 157.232 2.920 10 30 AFEERN CC#C[C@]1(O)C[C@@H](C)CC(C)(C)C1 224798854 573987451 /nfs/dbraw/zinc/98/74/51/573987451.db2.gz NWJLWIRSMLPNTH-JQWIXIFHSA-N 0 0 180.291 2.587 10 30 AFEERN Cc1ccc2c(c1)CC[C@@H]2C#N 104457123 573987644 /nfs/dbraw/zinc/98/76/44/573987644.db2.gz UTDWYPCHTDWEKH-SNVBAGLBSA-N 0 0 157.216 2.548 10 30 AFEERN CC1(C)CC(C#N)(c2ccccn2)C1 87617275 573989527 /nfs/dbraw/zinc/98/95/27/573989527.db2.gz XGYUXZIQOYIIQT-UHFFFAOYSA-N 0 0 186.258 2.663 10 30 AFEERN C=Nc1ccc(OC)c(Cl)c1 104458160 573989550 /nfs/dbraw/zinc/98/95/50/573989550.db2.gz DJUWVSSRJOTJAP-UHFFFAOYSA-N 0 0 169.611 2.681 10 30 AFEERN Cn1cc(Cl)c2cc(C#N)ccc21 258196455 573989552 /nfs/dbraw/zinc/98/95/52/573989552.db2.gz XXBAEXQVGMCTNG-UHFFFAOYSA-N 0 0 190.633 2.703 10 30 AFEERN C=C(CC(=O)OC)c1ccccc1C 258197762 573989589 /nfs/dbraw/zinc/98/95/89/573989589.db2.gz NECMLZVEYHNBBU-UHFFFAOYSA-N 0 0 190.242 2.571 10 30 AFEERN Cc1ccccc1-c1c[nH]cc1C#N 104461331 573989599 /nfs/dbraw/zinc/98/95/99/573989599.db2.gz JGXNZSVPJWAYNE-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN O=CCCc1c(F)ccc2ccoc12 258196652 573989016 /nfs/dbraw/zinc/98/90/16/573989016.db2.gz YAYPMXOTLAVRLU-UHFFFAOYSA-N 0 0 192.189 2.703 10 30 AFEERN CCC(C#N)(CC)c1cccnc1 87617365 573989038 /nfs/dbraw/zinc/98/90/38/573989038.db2.gz LEFCBGUDDXUYKR-UHFFFAOYSA-N 0 0 174.247 2.663 10 30 AFEERN CCCC(=O)C1=CC[C@H](C#N)CC1 238226604 573989052 /nfs/dbraw/zinc/98/90/52/573989052.db2.gz YWHNTYXNXLBDCI-VIFPVBQESA-N 0 0 177.247 2.606 10 30 AFEERN N#C[C@H]1CCc2c(F)ccc(F)c21 104458137 573989054 /nfs/dbraw/zinc/98/90/54/573989054.db2.gz SQHQOWBJSKLZSR-ZCFIWIBFSA-N 0 0 179.169 2.518 10 30 AFEERN N#CC1(Cc2ccc3c(c2)CCN3)CC1 259260226 573989060 /nfs/dbraw/zinc/98/90/60/573989060.db2.gz RJUIZNGSFRKPFJ-UHFFFAOYSA-N 0 0 198.269 2.501 10 30 AFEERN CC1(C)C(=O)C=CC2=C1CCC2 238230657 573989116 /nfs/dbraw/zinc/98/91/16/573989116.db2.gz NUMPUEUMWLVQCB-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN CC(C)[C@H]1CC(=O)C[C@@](C)(C#N)C1 238226151 573989193 /nfs/dbraw/zinc/98/91/93/573989193.db2.gz FTYJCATVAKCQAG-ONGXEEELSA-N 0 0 179.263 2.541 10 30 AFEERN CC[C@@H](C)[C@@H](C#N)c1cccnc1 87617400 573989218 /nfs/dbraw/zinc/98/92/18/573989218.db2.gz MDPYQELCUOMIPO-MWLCHTKSSA-N 0 0 174.247 2.735 10 30 AFEERN C=Nc1cc(Cl)ccc1OC 104458499 573989288 /nfs/dbraw/zinc/98/92/88/573989288.db2.gz JZOILTIABWCTLK-UHFFFAOYSA-N 0 0 169.611 2.681 10 30 AFEERN C=C1CCC(C)(C)CC[C@@H]1CO 238226288 573989319 /nfs/dbraw/zinc/98/93/19/573989319.db2.gz AUZYMWQAHYKMSI-SNVBAGLBSA-N 0 0 168.280 2.751 10 30 AFEERN CCC(C#N)(CC)c1ccccn1 87617246 573989356 /nfs/dbraw/zinc/98/93/56/573989356.db2.gz PDHSIGJKSRXYDR-UHFFFAOYSA-N 0 0 174.247 2.663 10 30 AFEERN COc1ccc([C@H](C)C#N)c(C)c1 104457793 573989418 /nfs/dbraw/zinc/98/94/18/573989418.db2.gz XIGUOGMEBSOSAR-SECBINFHSA-N 0 0 175.231 2.631 10 30 AFEERN C[C@H]1CCC[C@@]1(C#N)c1ccccn1 87617255 573989434 /nfs/dbraw/zinc/98/94/34/573989434.db2.gz JYCPXAZPCQHIJE-JQWIXIFHSA-N 0 0 186.258 2.663 10 30 AFEERN N#C[C@@H]1CCc2c(F)ccc(F)c21 104458139 573989457 /nfs/dbraw/zinc/98/94/57/573989457.db2.gz SQHQOWBJSKLZSR-LURJTMIESA-N 0 0 179.169 2.518 10 30 AFEERN CC[C@H](C)[C@@H](C#N)c1cccnc1 87617402 573989461 /nfs/dbraw/zinc/98/94/61/573989461.db2.gz MDPYQELCUOMIPO-GXSJLCMTSA-N 0 0 174.247 2.735 10 30 AFEERN CC1=CCCC[C@@]12C=CC(=O)C2 238231079 573990155 /nfs/dbraw/zinc/99/01/55/573990155.db2.gz SSCBFMRPWQLUKU-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN C=C(CC)CC(=O)C[C@H]1CCCCO1 128014490 573990268 /nfs/dbraw/zinc/99/02/68/573990268.db2.gz UQRSNCFHMIRILY-GFCCVEGCSA-N 0 0 196.290 2.871 10 30 AFEERN CC[C@@H](C)[C@@H](C#N)c1ccncc1 87618263 573990421 /nfs/dbraw/zinc/99/04/21/573990421.db2.gz MMGCMIAJCPVOKL-MWLCHTKSSA-N 0 0 174.247 2.735 10 30 AFEERN Cc1ccc(F)c([C@H](C)C#N)c1F 104463050 573990642 /nfs/dbraw/zinc/99/06/42/573990642.db2.gz WCSCXPZUTYDEBX-SSDOTTSWSA-N 0 0 181.185 2.900 10 30 AFEERN O=C[C@H](F)c1ccc(F)cc1Cl 104464158 573990754 /nfs/dbraw/zinc/99/07/54/573990754.db2.gz DXSGHPCVKSASLU-QMMMGPOBSA-N 0 0 190.576 2.689 10 30 AFEERN CC[C@H](C)[C@@H](C#N)c1ccncc1 87618265 573990764 /nfs/dbraw/zinc/99/07/64/573990764.db2.gz MMGCMIAJCPVOKL-GXSJLCMTSA-N 0 0 174.247 2.735 10 30 AFEERN C=C(/C=C\C(C)(C)C)C(C)=O 216901051 573993167 /nfs/dbraw/zinc/99/31/67/573993167.db2.gz JGWKXJRUAPWAMG-SREVYHEPSA-N 0 0 152.237 2.734 10 30 AFEERN C[C@H]1CCC[C@@]1(C#N)c1ccncc1 87618229 573992438 /nfs/dbraw/zinc/99/24/38/573992438.db2.gz CMKHXMUDYMSZGQ-JQWIXIFHSA-N 0 0 186.258 2.663 10 30 AFEERN C[C@@H]1CCC[C@@]1(C#N)c1ccncc1 87618227 573992459 /nfs/dbraw/zinc/99/24/59/573992459.db2.gz CMKHXMUDYMSZGQ-PWSUYJOCSA-N 0 0 186.258 2.663 10 30 AFEERN CC1(C)[C@@H](C=C2CCCC2)[C@H]1C=O 238232758 573992498 /nfs/dbraw/zinc/99/24/98/573992498.db2.gz PYPKMXYRNCQTKM-WDEREUQCSA-N 0 0 178.275 2.958 10 30 AFEERN O=C[C@@H](F)c1ccc(F)cc1Cl 104464155 573992630 /nfs/dbraw/zinc/99/26/30/573992630.db2.gz DXSGHPCVKSASLU-MRVPVSSYSA-N 0 0 190.576 2.689 10 30 AFEERN Cc1ccc([C@@H]2OC2(C)C)cc1 259262427 573992758 /nfs/dbraw/zinc/99/27/58/573992758.db2.gz LIKLUFITZDSZLW-JTQLQIEISA-N 0 0 162.232 2.845 10 30 AFEERN C[C@H]1CCC[C@]1(C#N)c1ccncc1 87618234 573992774 /nfs/dbraw/zinc/99/27/74/573992774.db2.gz CMKHXMUDYMSZGQ-CMPLNLGQSA-N 0 0 186.258 2.663 10 30 AFEERN C#CC[C@@H]1CC[C@@](C)(C=O)C1(C)C 238232931 573992856 /nfs/dbraw/zinc/99/28/56/573992856.db2.gz FMQYGNPRXJUEBO-PWSUYJOCSA-N 0 0 178.275 2.651 10 30 AFEERN Cc1ccc(F)c([C@@H](C)C#N)c1F 104463047 573992905 /nfs/dbraw/zinc/99/29/05/573992905.db2.gz WCSCXPZUTYDEBX-ZETCQYMHSA-N 0 0 181.185 2.900 10 30 AFEERN CCC[C@](C)(O)[C@]1(C#N)CC[C@H](C)C1 87650007 573992907 /nfs/dbraw/zinc/99/29/07/573992907.db2.gz QOFRQAXZMHUGLT-SDDRHHMPSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H](F)CNc1cccc(C#N)c1 306948581 573992927 /nfs/dbraw/zinc/99/29/27/573992927.db2.gz UCHCNNDFEKTMDP-SNVBAGLBSA-N 0 0 192.237 2.718 10 30 AFEERN COc1c(C)cc([C@@H]2O[C@H]2C)cc1C 259262421 573993004 /nfs/dbraw/zinc/99/30/04/573993004.db2.gz LIDLRZNRNYDYQL-JOYOIKCWSA-N 0 0 192.258 2.772 10 30 AFEERN O=C[C@H](F)c1ccccc1Cl 104470923 573997602 /nfs/dbraw/zinc/99/76/02/573997602.db2.gz PCEQLTWOWQPVST-QMMMGPOBSA-N 0 0 172.586 2.550 10 30 AFEERN C#CC[C@@H]1CC[C@](C)(C=O)C1(C)C 238232955 573993456 /nfs/dbraw/zinc/99/34/56/573993456.db2.gz FMQYGNPRXJUEBO-ZYHUDNBSSA-N 0 0 178.275 2.651 10 30 AFEERN CC1=CCC[C@]2(C)C=CC(=O)C[C@@H]12 238233388 573993491 /nfs/dbraw/zinc/99/34/91/573993491.db2.gz JFFVATLCINTISS-NWDGAFQWSA-N 0 0 176.259 2.878 10 30 AFEERN COC(C)(C)c1ccccc1CC#N 259260892 573993592 /nfs/dbraw/zinc/99/35/92/573993592.db2.gz BDXWWGWUYAQREE-UHFFFAOYSA-N 0 0 189.258 2.634 10 30 AFEERN Cn1cc([C@H]2C[C@H]2C#N)c2ccccc21 259261601 573993700 /nfs/dbraw/zinc/99/37/00/573993700.db2.gz UMUZGDKJUWQFFE-ONGXEEELSA-N 0 0 196.253 2.805 10 30 AFEERN N#C[C@@H]1C[C@@H]1c1ccc2c(c1)CCCO2 259261466 573995181 /nfs/dbraw/zinc/99/51/81/573995181.db2.gz ULSSQZLQBZVMIX-NWDGAFQWSA-N 0 0 199.253 2.639 10 30 AFEERN COc1c(C)cc([C@@H]2O[C@@H]2C)cc1C 259262417 573995230 /nfs/dbraw/zinc/99/52/30/573995230.db2.gz LIDLRZNRNYDYQL-BXKDBHETSA-N 0 0 192.258 2.772 10 30 AFEERN C=C(C)C1=C(CC)CCC1=O 238234927 573995283 /nfs/dbraw/zinc/99/52/83/573995283.db2.gz QTJBMACOGUIYMA-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN N#C[C@@H]1C[C@H]1c1ccc2c(c1)CCCO2 259261469 573994561 /nfs/dbraw/zinc/99/45/61/573994561.db2.gz ULSSQZLQBZVMIX-RYUDHWBXSA-N 0 0 199.253 2.639 10 30 AFEERN CC1=C2C(=O)CC[C@@]23CCC[C@@H]3C1 238234084 573994672 /nfs/dbraw/zinc/99/46/72/573994672.db2.gz HFLRGEBAKHOQHD-BXKDBHETSA-N 0 0 176.259 2.856 10 30 AFEERN CCC1=C(C(C)=O)CC[C@H]1C 238235031 573994687 /nfs/dbraw/zinc/99/46/87/573994687.db2.gz UQRCOSWXCQSIDN-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H](C#N)OCCCc1ccccc1 45627745 573994691 /nfs/dbraw/zinc/99/46/91/573994691.db2.gz OBPNVPNVAOWYAX-LLVKDONJSA-N 0 0 189.258 2.548 10 30 AFEERN CC(C)(C)Oc1cccc(C#N)c1 104471381 573994706 /nfs/dbraw/zinc/99/47/06/573994706.db2.gz DJUQTSPGCKWNOM-UHFFFAOYSA-N 0 0 175.231 2.736 10 30 AFEERN C#CCC[C@@H]([NH2+]C)c1ccc(CC)o1 127934057 573994732 /nfs/dbraw/zinc/99/47/32/573994732.db2.gz GUYVBNYINASYSB-LLVKDONJSA-N 0 0 191.274 2.516 10 30 AFEERN CC1=C[C@@H]2C3CCC(CC3)[C@@H]2C1=O 238235326 573994840 /nfs/dbraw/zinc/99/48/40/573994840.db2.gz SRIASDQVSRWRIY-LXKPXOPUSA-N 0 0 176.259 2.568 10 30 AFEERN Cc1ccc2cc(N)sc2c1C#N 306944705 573994856 /nfs/dbraw/zinc/99/48/56/573994856.db2.gz YSQGAFJDBBJGGB-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN N#C[C@H]1C[C@H]1c1ccc2c(c1)CCCO2 259261460 573994878 /nfs/dbraw/zinc/99/48/78/573994878.db2.gz ULSSQZLQBZVMIX-NEPJUHHUSA-N 0 0 199.253 2.639 10 30 AFEERN CC1(C)C=CC2=CC(=O)CC[C@H]2C1 238234622 573994890 /nfs/dbraw/zinc/99/48/90/573994890.db2.gz SORTXFDAYHRHTA-JTQLQIEISA-N 0 0 176.259 2.878 10 30 AFEERN C=C1C[C@H]2CC(C)(C)CC(=O)[C@H]12 238234169 573994935 /nfs/dbraw/zinc/99/49/35/573994935.db2.gz ZPDIYQFBLUTZQV-WCBMZHEXSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=CC(=O)[C@@H]2CC[C@@H]3CCC[C@@]132 238234426 573994942 /nfs/dbraw/zinc/99/49/42/573994942.db2.gz MHBHNLXJGIADLR-JBLDHEPKSA-N 0 0 176.259 2.712 10 30 AFEERN O=C[C@@H](F)c1ccccc1Cl 104470919 573995050 /nfs/dbraw/zinc/99/50/50/573995050.db2.gz PCEQLTWOWQPVST-MRVPVSSYSA-N 0 0 172.586 2.550 10 30 AFEERN O=C[C@@H](F)c1ccc(Cl)cc1 104470941 573995100 /nfs/dbraw/zinc/99/51/00/573995100.db2.gz AGYAZJSESPJZDS-MRVPVSSYSA-N 0 0 172.586 2.550 10 30 AFEERN O=C[C@H](F)c1ccc(Cl)cc1 104470945 573997741 /nfs/dbraw/zinc/99/77/41/573997741.db2.gz AGYAZJSESPJZDS-QMMMGPOBSA-N 0 0 172.586 2.550 10 30 AFEERN CCC[C@@]1(C)CCCC(=O)C1=O 238235762 573997771 /nfs/dbraw/zinc/99/77/71/573997771.db2.gz FODOYUBVNPJLEX-JTQLQIEISA-N 0 0 168.236 2.598 10 30 AFEERN CC1=C[C@]23CCC[C@@H]2CC[C@@H]3C1=O 238236542 573997843 /nfs/dbraw/zinc/99/78/43/573997843.db2.gz HTQHNMDBSJUDSE-CKYFFXLPSA-N 0 0 176.259 2.712 10 30 AFEERN C=C[C@@H]1CC=C(C)[C@H](C=O)C1(C)C 238236900 573997909 /nfs/dbraw/zinc/99/79/09/573997909.db2.gz MVPDEVZTQXUWCH-MNOVXSKESA-N 0 0 178.275 2.980 10 30 AFEERN CCC1=C(C)C(=O)[C@H](C)C[C@H]1C 238235817 573997911 /nfs/dbraw/zinc/99/79/11/573997911.db2.gz RBDOYSTXXSIIIZ-HTQZYQBOSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=C[C@H]2C3CCC(CC3)[C@@H]2C1=O 238236171 573998061 /nfs/dbraw/zinc/99/80/61/573998061.db2.gz SRIASDQVSRWRIY-TVUZUIDESA-N 0 0 176.259 2.568 10 30 AFEERN CC1=C[C@]23CCCC[C@@]2(C)[C@@H]3C1=O 238236511 574000393 /nfs/dbraw/zinc/00/03/93/574000393.db2.gz SYIICSWHMFGAFR-SRVKXCTJSA-N 0 0 176.259 2.712 10 30 AFEERN CCC1=C(C)C(=O)[C@@H](C)C[C@H]1C 238235720 574000501 /nfs/dbraw/zinc/00/05/01/574000501.db2.gz RBDOYSTXXSIIIZ-SFYZADRCSA-N 0 0 166.264 2.958 10 30 AFEERN O/N=C(/Cl)c1c[nH]c2ccccc12 104479278 574000524 /nfs/dbraw/zinc/00/05/24/574000524.db2.gz OTFWEYWWCZMXER-FMIVXFBMSA-N 0 0 194.621 2.543 10 30 AFEERN CC1=C[C@H]2C3CCC(CC3)[C@H]2C1=O 238236184 574000566 /nfs/dbraw/zinc/00/05/66/574000566.db2.gz SRIASDQVSRWRIY-WFBLGPOFSA-N 0 0 176.259 2.568 10 30 AFEERN CC1=C[C@@]2(C)[C@@H]3[C@H]2CC[C@@]3(C)C1=O 238236633 574000572 /nfs/dbraw/zinc/00/05/72/574000572.db2.gz SYOZHAZKCCPIQQ-CNVPUSNMSA-N 0 0 176.259 2.568 10 30 AFEERN CC1=C[C@]23CCC[C@H]2CC[C@@H]3C1=O 238236575 574000813 /nfs/dbraw/zinc/00/08/13/574000813.db2.gz HTQHNMDBSJUDSE-HOSYDEDBSA-N 0 0 176.259 2.712 10 30 AFEERN N#Cc1ccc(-c2cccc(F)c2)cn1 47203957 574000822 /nfs/dbraw/zinc/00/08/22/574000822.db2.gz BATIACWJKLDZRP-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C=C(C)C(=O)Cc1ccc(CC)s1 234130363 574000882 /nfs/dbraw/zinc/00/08/82/574000882.db2.gz KABOEUHBEHTFRO-UHFFFAOYSA-N 0 0 194.299 2.998 10 30 AFEERN C#CC[C@@H](O)C1(CCCC)CCC1 238238582 574002414 /nfs/dbraw/zinc/00/24/14/574002414.db2.gz RAZZDJVBWWCTHK-LLVKDONJSA-N 0 0 180.291 2.731 10 30 AFEERN CCC1=C(CC)C(=O)[C@H](C)C1 238237538 574002459 /nfs/dbraw/zinc/00/24/59/574002459.db2.gz UNZQCMSMMMSPGC-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN O=CCc1cc2cc(F)ccc2s1 258198162 574002473 /nfs/dbraw/zinc/00/24/73/574002473.db2.gz NZMFIXKCVSAKMV-UHFFFAOYSA-N 0 0 194.230 2.782 10 30 AFEERN CCC[C@]12C=CC(=O)[C@@H]1CCC2 238238876 574002492 /nfs/dbraw/zinc/00/24/92/574002492.db2.gz HMUGHVDDXWPYNS-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1[C@H](O)CC(C)(C)CC1(C)C 238238651 574002552 /nfs/dbraw/zinc/00/25/52/574002552.db2.gz KADQCILQZMJVRV-SECBINFHSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1noc(C#N)c1-c1ccsc1 259591609 574002707 /nfs/dbraw/zinc/00/27/07/574002707.db2.gz ZSLLLTMXEQLOOI-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C=C1C[C@H]2CC(=O)C[C@@H](C1)C2(C)C 238237926 574003933 /nfs/dbraw/zinc/00/39/33/574003933.db2.gz FFMVBPVJJJICCM-AOOOYVTPSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@]1(CCC)CCC(C=O)=C1O 238237337 574004021 /nfs/dbraw/zinc/00/40/21/574004021.db2.gz WLOAPBMUNLDMIG-IQQGHNRFSA-N 0 0 180.247 2.764 10 30 AFEERN C=C1CCC(C)=CC[C@H]1CC=O 238237323 574004279 /nfs/dbraw/zinc/00/42/79/574004279.db2.gz VTYKJBMNIIXRTM-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CC(=O)c1ccc(N=[N+]=[N-])c(F)c1 87667245 574004345 /nfs/dbraw/zinc/00/43/45/574004345.db2.gz QQKQFBUYNNRTGK-UHFFFAOYSA-N 0 0 179.154 2.970 10 30 AFEERN CCC1=CC(=O)C[C@@H](C)[C@H]1C 238239216 574004919 /nfs/dbraw/zinc/00/49/19/574004919.db2.gz OHGRACKWDCXSGX-HTQZYQBOSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CC[C@@]2(CC=CC2=O)CC1 238245435 574004938 /nfs/dbraw/zinc/00/49/38/574004938.db2.gz SJASRYVHCORRSZ-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN CCc1csc(N=[N+]=[N-])n1 87667296 574004988 /nfs/dbraw/zinc/00/49/88/574004988.db2.gz JQBDDDDFDMYYHI-UHFFFAOYSA-N 0 0 154.198 2.647 10 30 AFEERN CCC1=CC(=O)[C@](C)(Cl)[C@@H]1C 238239658 574005172 /nfs/dbraw/zinc/00/51/72/574005172.db2.gz CGLIKGBFSCSBKI-HZGVNTEJSA-N 0 0 172.655 2.539 10 30 AFEERN CCCSc1cccc(N)c1C#N 238239407 574005194 /nfs/dbraw/zinc/00/51/94/574005194.db2.gz UJJULEBZJCZBBA-UHFFFAOYSA-N 0 0 192.287 2.643 10 30 AFEERN CCC1=CC(=O)[C@H](C)C[C@H]1C 238239614 574005252 /nfs/dbraw/zinc/00/52/52/574005252.db2.gz SUUZPNFUEHEFAV-HTQZYQBOSA-N 0 0 152.237 2.568 10 30 AFEERN N#Cc1cc2c(nc1N=[N+]=[N-])CCCC2 87667238 574005261 /nfs/dbraw/zinc/00/52/61/574005261.db2.gz XAOUDQLSBDBVQS-UHFFFAOYSA-N 0 0 199.217 2.774 10 30 AFEERN O=CCCc1ccc(C2CC2)c(F)c1 258201101 574005335 /nfs/dbraw/zinc/00/53/35/574005335.db2.gz YKKOBRNWAAOCKR-UHFFFAOYSA-N 0 0 192.233 2.835 10 30 AFEERN C=CC(=O)[C@@H]1CC[C@H]2C[C@@H]1C2(C)C 238239717 574005349 /nfs/dbraw/zinc/00/53/49/574005349.db2.gz POMMMABIBACRCG-AEJSXWLSSA-N 0 0 178.275 2.814 10 30 AFEERN CC1(Nc2ccccc2)CC(C#N)C1 238239325 574006859 /nfs/dbraw/zinc/00/68/59/574006859.db2.gz QXDXATOAWCIIDQ-UHFFFAOYSA-N 0 0 186.258 2.791 10 30 AFEERN C=C1C=CC(=C)[C@H](C=O)[C@@H]1CCC 238239509 574006947 /nfs/dbraw/zinc/00/69/47/574006947.db2.gz GMTTYLFYTZVARI-NEPJUHHUSA-N 0 0 176.259 2.900 10 30 AFEERN C=CC(=O)[C@]1(C)CC=C(C)CC1 238239887 574007002 /nfs/dbraw/zinc/00/70/02/574007002.db2.gz FLGZBSNXBZDKJO-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN [N-]=[N+]=Nc1cnc2ccccc2n1 87667324 574007004 /nfs/dbraw/zinc/00/70/04/574007004.db2.gz IIJRCOPLEYEZOZ-UHFFFAOYSA-N 0 0 171.163 2.572 10 30 AFEERN CCC1=CC(=O)C[C@@H](C(C)C)C1 238239160 574007069 /nfs/dbraw/zinc/00/70/69/574007069.db2.gz SDMHYXOEEMPWOF-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC(=O)C[C@H]1CC1(C)C 238240115 574007141 /nfs/dbraw/zinc/00/71/41/574007141.db2.gz HFVPMVSHXFEROF-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN [N-]=[N+]=Nc1ncnc2ccccc12 87667482 574007242 /nfs/dbraw/zinc/00/72/42/574007242.db2.gz AJWYCOIAQQANIA-UHFFFAOYSA-N 0 0 171.163 2.572 10 30 AFEERN CCC1=CCC(=C(C)C)C1=O 238239826 574007270 /nfs/dbraw/zinc/00/72/70/574007270.db2.gz VVOUNRLLCRCYOX-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN Cc1nnc(N=[N+]=[N-])c2ccccc12 87667315 574007324 /nfs/dbraw/zinc/00/73/24/574007324.db2.gz LSRVOANOEZBAMN-UHFFFAOYSA-N 0 0 185.190 2.880 10 30 AFEERN C=C[C@@]12C(=C)CC[C@@H](C1=O)C2(C)C 238239246 574007358 /nfs/dbraw/zinc/00/73/58/574007358.db2.gz MFRJGANIIOJPSA-JOYOIKCWSA-N 0 0 176.259 2.734 10 30 AFEERN [N-]=[N+]=Nc1ncnc2ccsc12 87667451 574007383 /nfs/dbraw/zinc/00/73/83/574007383.db2.gz CRKYNGLXFUVVQZ-UHFFFAOYSA-N 0 0 177.192 2.633 10 30 AFEERN CC1=C(C)[C@H]2CCCC[C@H]2C1=O 238245537 574007432 /nfs/dbraw/zinc/00/74/32/574007432.db2.gz BWYXHNWESJOXOD-NXEZZACHSA-N 0 0 164.248 2.712 10 30 AFEERN C#CC(=C(C)C)C(C)C 111346538 574007531 /nfs/dbraw/zinc/00/75/31/574007531.db2.gz KKGAIKSIOQULJJ-UHFFFAOYSA-N 0 0 122.211 2.612 10 30 AFEERN [N-]=[N+]=Nc1ncccc1Cl 87667351 574007548 /nfs/dbraw/zinc/00/75/48/574007548.db2.gz RXHYXFPTBRMJLE-UHFFFAOYSA-N 0 0 154.560 2.677 10 30 AFEERN [N-]=[N+]=Nc1cnnc2ccccc12 87667491 574009195 /nfs/dbraw/zinc/00/91/95/574009195.db2.gz UZOSEHSLLBUEHS-UHFFFAOYSA-N 0 0 171.163 2.572 10 30 AFEERN CC1=C(C)[C@@]2(C)CCC[C@@H]2C1=O 238247282 574009951 /nfs/dbraw/zinc/00/99/51/574009951.db2.gz KCYZCYJRENCCRK-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN CC1(C)C[C@H](C=O)C(C)(C)C1 238247155 574009423 /nfs/dbraw/zinc/00/94/23/574009423.db2.gz OUGBTVOSDNCPNO-MRVPVSSYSA-N 0 0 154.253 2.648 10 30 AFEERN CC1=C[C@@]2(C)C(C)=C(C)C(=O)[C@@]12C 238247556 574009435 /nfs/dbraw/zinc/00/94/35/574009435.db2.gz ZMENBGZTFAGMON-NWDGAFQWSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc(N=[N+]=[N-])nc(C(C)C)n1 87667480 574009491 /nfs/dbraw/zinc/00/94/91/574009491.db2.gz UPVVJSRVILPRMJ-UHFFFAOYSA-N 0 0 177.211 2.850 10 30 AFEERN CC1=C[C@]2(C)C(C)=C(C)C(=O)[C@@]12C 238247265 574009561 /nfs/dbraw/zinc/00/95/61/574009561.db2.gz ZMENBGZTFAGMON-VXGBXAGGSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=C(C)[C@]2(C)CCC[C@H]2C1=O 238247580 574009593 /nfs/dbraw/zinc/00/95/93/574009593.db2.gz KCYZCYJRENCCRK-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)c1nsc(N=[N+]=[N-])n1 87667477 574009676 /nfs/dbraw/zinc/00/96/76/574009676.db2.gz XGIKUWMFDZUHOU-UHFFFAOYSA-N 0 0 169.213 2.603 10 30 AFEERN CCCCCC#Cc1cccnc1N 238246832 574009700 /nfs/dbraw/zinc/00/97/00/574009700.db2.gz MPJYRYSPNHZQIX-UHFFFAOYSA-N 0 0 188.274 2.596 10 30 AFEERN CC1(C)C=CC(C)(C)[C@@H](C=O)C1 238247170 574009899 /nfs/dbraw/zinc/00/98/99/574009899.db2.gz BLARDUHXGXKSIU-SECBINFHSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@H]1SC(C(C)(C)C)=CC1=O 111345291 574010927 /nfs/dbraw/zinc/01/09/27/574010927.db2.gz RXNOJFZQYKOQQI-ZCFIWIBFSA-N 0 0 170.277 2.621 10 30 AFEERN C=CCC(C)(C)C=C 111336822 574011155 /nfs/dbraw/zinc/01/11/55/574011155.db2.gz OWRACTVEYJLPRK-UHFFFAOYSA-N 0 0 110.200 2.775 10 30 AFEERN CC1=C[C@@H](CC=O)CC(C)(C)C1 238247534 574011187 /nfs/dbraw/zinc/01/11/87/574011187.db2.gz FTHCGBKHCYORLT-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=C(C)[C@@]2(C)CCC[C@H]2C1=O 238247296 574011192 /nfs/dbraw/zinc/01/11/92/574011192.db2.gz KCYZCYJRENCCRK-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN CC#Cc1ccccc1C(=O)CC 238246244 574011264 /nfs/dbraw/zinc/01/12/64/574011264.db2.gz FUZLQSSODBIHAK-UHFFFAOYSA-N 0 0 172.227 2.651 10 30 AFEERN CCCc1ccc2c(c1)C(=O)C=C2 238247064 574011331 /nfs/dbraw/zinc/01/13/31/574011331.db2.gz DLSMCGCLZSNBJX-UHFFFAOYSA-N 0 0 172.227 2.849 10 30 AFEERN C=C1C[C@@H](O)C[C@H](CCCC)C1 238246087 574010738 /nfs/dbraw/zinc/01/07/38/574010738.db2.gz YCLMEAURTRTOAW-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN Cc1cc2cc(CS)ccc2[nH]1 259272841 574011657 /nfs/dbraw/zinc/01/16/57/574011657.db2.gz SFDYEVHLLRBDOQ-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN C=C[C@@H]1C=C(C)CC[C@]1(C)C=O 238247380 574011770 /nfs/dbraw/zinc/01/17/70/574011770.db2.gz GLJVPDBWLBJLJB-GHMZBOCLSA-N 0 0 164.248 2.734 10 30 AFEERN Cc1cc(C(C)(C)C)oc1C#N 259592753 574011944 /nfs/dbraw/zinc/01/19/44/574011944.db2.gz CAJBUFDRQQVDMM-UHFFFAOYSA-N 0 0 163.220 2.757 10 30 AFEERN C=CC[C@@H]1CC(=O)CC(C)(C)C1 238247490 574013203 /nfs/dbraw/zinc/01/32/03/574013203.db2.gz QKTJKOYPUFPKAA-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@](C)(Cl)C(=O)CCC 238242530 574013432 /nfs/dbraw/zinc/01/34/32/574013432.db2.gz IDZSLXWYRLGPSV-QMMMGPOBSA-N 0 0 160.644 2.539 10 30 AFEERN N#CCc1c[nH]c(C2CCCC2)c1 259592782 574014436 /nfs/dbraw/zinc/01/44/36/574014436.db2.gz GCRDOYTWHAAPAO-UHFFFAOYSA-N 0 0 174.247 2.738 10 30 AFEERN N#C[C@@H](c1cocn1)C1CCCCC1 259593245 574014744 /nfs/dbraw/zinc/01/47/44/574014744.db2.gz FREWMVZZOYSQGI-SNVBAGLBSA-N 0 0 190.246 2.862 10 30 AFEERN N#C[C@H](c1cocn1)C1CCCCC1 259593238 574014978 /nfs/dbraw/zinc/01/49/78/574014978.db2.gz FREWMVZZOYSQGI-JTQLQIEISA-N 0 0 190.246 2.862 10 30 AFEERN N#CC1(c2cnc3ccccc3c2)CC1 259275156 574016849 /nfs/dbraw/zinc/01/68/49/574016849.db2.gz FHUFHTKIQKGCQN-UHFFFAOYSA-N 0 0 194.237 2.790 10 30 AFEERN C#CC(=O)C1CCCCCCC1 87689985 574017960 /nfs/dbraw/zinc/01/79/60/574017960.db2.gz YNUJRDJXIDEIKO-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN C=C(C)C[C@@H](O)[C@H]1CCCCS1 87703795 574020148 /nfs/dbraw/zinc/02/01/48/574020148.db2.gz MVVQRQISGJQWBM-NXEZZACHSA-N 0 0 186.320 2.599 10 30 AFEERN Cc1ccc(CC2(C#N)CCC2)o1 259033082 574021386 /nfs/dbraw/zinc/02/13/86/574021386.db2.gz BTCCVVSSIJNQNK-UHFFFAOYSA-N 0 0 175.231 2.824 10 30 AFEERN CC[C@@H](C#N)c1ccc2c(c1)CCN2 259278811 574021796 /nfs/dbraw/zinc/02/17/96/574021796.db2.gz STKALHFISXIOHR-VIFPVBQESA-N 0 0 186.258 2.672 10 30 AFEERN C=CCC(=O)Cc1ccc(CC)s1 128150164 574022215 /nfs/dbraw/zinc/02/22/15/574022215.db2.gz XVPMBFCXLRCYEI-UHFFFAOYSA-N 0 0 194.299 2.998 10 30 AFEERN C=C[C@@H]([NH3+])c1cc(OC)ccc1Cl 104515721 574022263 /nfs/dbraw/zinc/02/22/63/574022263.db2.gz FRRIQJCQLYLPIY-SNVBAGLBSA-N 0 0 197.665 2.534 10 30 AFEERN C=C[C@@H]([NH3+])c1c(Cl)ccc(C)c1O 104516538 574022647 /nfs/dbraw/zinc/02/26/47/574022647.db2.gz YPUYADXSMBTUQH-MRVPVSSYSA-N 0 0 197.665 2.540 10 30 AFEERN CC(C)CN[C@@]1(C#N)CCC(C)(C)C1 87772653 574027641 /nfs/dbraw/zinc/02/76/41/574027641.db2.gz YZQIXLOZNGBJCU-LBPRGKRZSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@@H](C)N[C@]1(C#N)CCC(C)(C)C1 87772696 574027904 /nfs/dbraw/zinc/02/79/04/574027904.db2.gz TWNUSLWBTSLGJZ-ZYHUDNBSSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)C[C@H](C#N)[C@H](C)F 258467048 574027926 /nfs/dbraw/zinc/02/79/26/574027926.db2.gz HTTAHBCVKWBAMO-JGVFFNPUSA-N 0 0 143.205 2.530 10 30 AFEERN CC(C)C[C@@H](C#N)[C@H](C)F 258467057 574028116 /nfs/dbraw/zinc/02/81/16/574028116.db2.gz HTTAHBCVKWBAMO-YUMQZZPRSA-N 0 0 143.205 2.530 10 30 AFEERN CC(C)CN[C@]1(C#N)CCC(C)(C)C1 87772652 574028216 /nfs/dbraw/zinc/02/82/16/574028216.db2.gz YZQIXLOZNGBJCU-GFCCVEGCSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@@H](C#N)c1cc2ccccc2nn1 259284973 574029042 /nfs/dbraw/zinc/02/90/42/574029042.db2.gz BTPMQNOEUZOOAM-VIFPVBQESA-N 0 0 197.241 2.647 10 30 AFEERN CC(C)(C)c1cc(CC#N)sn1 259283672 574029203 /nfs/dbraw/zinc/02/92/03/574029203.db2.gz AMADYQVYSDKVBQ-UHFFFAOYSA-N 0 0 180.276 2.507 10 30 AFEERN CCC[C@@H](C#N)[C@]1(O)CCC(C)(C)C1 87773917 574029287 /nfs/dbraw/zinc/02/92/87/574029287.db2.gz NYXCBNJGGMZGLF-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN CCCS[C@@H](C#N)C(C)C 85289864 574029366 /nfs/dbraw/zinc/02/93/66/574029366.db2.gz WERNKLNLQSEWMV-QMMMGPOBSA-N 0 0 157.282 2.678 10 30 AFEERN CC1(C)CC[C@](C#N)(N2CCCC2)C1 87773387 574029427 /nfs/dbraw/zinc/02/94/27/574029427.db2.gz HVQZHNZYXJTUPC-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN CC(C)CS[C@@H](C#N)C(C)C 85299301 574029501 /nfs/dbraw/zinc/02/95/01/574029501.db2.gz BFHYBCQWFYAEJR-VIFPVBQESA-N 0 0 171.309 2.924 10 30 AFEERN CCC[C@H](C#N)[C@@]1(O)CCC(C)(C)C1 87773920 574029517 /nfs/dbraw/zinc/02/95/17/574029517.db2.gz NYXCBNJGGMZGLF-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN CCN(CC)[C@@]1(C#N)CCC(C)(C)C1 87773385 574029532 /nfs/dbraw/zinc/02/95/32/574029532.db2.gz AEJDJSBPUATCOU-LBPRGKRZSA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)c1[nH]sc2nc(C#N)cc1-2 259284721 574029539 /nfs/dbraw/zinc/02/95/39/574029539.db2.gz HJIVZKGQJVIYRW-UHFFFAOYSA-N 0 0 191.259 2.619 10 30 AFEERN CCC[C@H](C#N)[C@]1(O)CCC(C)(C)C1 87773918 574029606 /nfs/dbraw/zinc/02/96/06/574029606.db2.gz NYXCBNJGGMZGLF-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN CC1(C)CC[C@](O)(C2(C#N)CCC2)C1 87773921 574029649 /nfs/dbraw/zinc/02/96/49/574029649.db2.gz LWBGPNUCFHEBDB-GFCCVEGCSA-N 0 0 193.290 2.621 10 30 AFEERN CC1(C)CC[C@](Cl)(C#N)C1 87773451 574029694 /nfs/dbraw/zinc/02/96/94/574029694.db2.gz RMSVJNBBULNDRW-MRVPVSSYSA-N 0 0 157.644 2.698 10 30 AFEERN CC[C@](C)(C#N)[C@@]1(O)CCC(C)(C)C1 87773896 574029705 /nfs/dbraw/zinc/02/97/05/574029705.db2.gz ZJHXPFXBAPOAAM-VXGBXAGGSA-N 0 0 195.306 2.867 10 30 AFEERN CC1(C)CC[C@@](Cl)(C#N)C1 87773452 574029725 /nfs/dbraw/zinc/02/97/25/574029725.db2.gz RMSVJNBBULNDRW-QMMMGPOBSA-N 0 0 157.644 2.698 10 30 AFEERN CC[C@@](C)(C#N)[C@@]1(O)CCC(C)(C)C1 87773895 574029813 /nfs/dbraw/zinc/02/98/13/574029813.db2.gz ZJHXPFXBAPOAAM-NWDGAFQWSA-N 0 0 195.306 2.867 10 30 AFEERN CCN(CC)[C@]1(C#N)CCC(C)(C)C1 87773384 574029822 /nfs/dbraw/zinc/02/98/22/574029822.db2.gz AEJDJSBPUATCOU-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@](C)(C#N)[C@]1(O)CCC(C)(C)C1 87773894 574029837 /nfs/dbraw/zinc/02/98/37/574029837.db2.gz ZJHXPFXBAPOAAM-NEPJUHHUSA-N 0 0 195.306 2.867 10 30 AFEERN CC1=C[C@@H](C(C)(C)C=O)CCC1 143727881 574032483 /nfs/dbraw/zinc/03/24/83/574032483.db2.gz SWWOGVNCHJHHOJ-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C)c1csc(CS)n1 259286170 574031603 /nfs/dbraw/zinc/03/16/03/574031603.db2.gz PQNJYYMHIIYWKD-UHFFFAOYSA-N 0 0 187.333 2.870 10 30 AFEERN CC(C)=C1C(=O)C=C2CCC[C@@H]21 143712686 574031992 /nfs/dbraw/zinc/03/19/92/574031992.db2.gz QGQMOHINFBJPNI-VIFPVBQESA-N 0 0 162.232 2.632 10 30 AFEERN C=C(CC)C[C@@H](O)C[C@H]1CCCCO1 128286875 574032131 /nfs/dbraw/zinc/03/21/31/574032131.db2.gz UOTHPAZQNJKPAS-VXGBXAGGSA-N 0 0 198.306 2.663 10 30 AFEERN C=C[C@@H]1CC(C)(C)C(=O)C[C@@H]1C 143727305 574032207 /nfs/dbraw/zinc/03/22/07/574032207.db2.gz FMYCKSLXGMJAFZ-DTWKUNHWSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(CC)C[C@H](O)C[C@H]1CCCCO1 128286670 574032269 /nfs/dbraw/zinc/03/22/69/574032269.db2.gz UOTHPAZQNJKPAS-NWDGAFQWSA-N 0 0 198.306 2.663 10 30 AFEERN CC1=C[C@H](C(C)(C)C=O)CCC1 143727700 574032314 /nfs/dbraw/zinc/03/23/14/574032314.db2.gz SWWOGVNCHJHHOJ-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=C1C(=O)C=C2CCC[C@H]21 143712459 574032383 /nfs/dbraw/zinc/03/23/83/574032383.db2.gz QGQMOHINFBJPNI-SECBINFHSA-N 0 0 162.232 2.632 10 30 AFEERN C=C[C@@H]1CCCC2=CC(=O)CC[C@@H]21 143814337 574032439 /nfs/dbraw/zinc/03/24/39/574032439.db2.gz BQAFEGIZKJCEJG-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc(C#N)c(C#N)c2ccsc12 306967591 574036461 /nfs/dbraw/zinc/03/64/61/574036461.db2.gz NFEKDIPYKBYHFX-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C[C@@H]1CCc2cnc(Cl)c(C#N)c21 306970550 574036659 /nfs/dbraw/zinc/03/66/59/574036659.db2.gz JFWLZBNPANNRDL-ZCFIWIBFSA-N 0 0 192.649 2.656 10 30 AFEERN Cc1cc2sccc2c(C#N)c1C#N 306969808 574036766 /nfs/dbraw/zinc/03/67/66/574036766.db2.gz QCSQAZQHQWTNSR-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C[C@H]1CCc2cnc(Cl)c(C#N)c21 306970549 574037128 /nfs/dbraw/zinc/03/71/28/574037128.db2.gz JFWLZBNPANNRDL-LURJTMIESA-N 0 0 192.649 2.656 10 30 AFEERN CC(O)=CC(=O)c1cccc(C)c1 100220107 574038283 /nfs/dbraw/zinc/03/82/83/574038283.db2.gz ZWTRQPCYBWZKKE-VQHVLOKHSA-N 0 0 176.215 2.640 10 30 AFEERN CC(O)=CC(=O)c1cccc(C)c1 100220109 574038454 /nfs/dbraw/zinc/03/84/54/574038454.db2.gz ZWTRQPCYBWZKKE-CLFYSBASSA-N 0 0 176.215 2.640 10 30 AFEERN C[C@H](/C(Cl)=N/O)c1ccccc1 197929023 574038608 /nfs/dbraw/zinc/03/86/08/574038608.db2.gz WKRUOJKGTYQELS-NLMLTAHDSA-N 0 0 183.638 2.817 10 30 AFEERN C[C@H]1CCCCC[C@H]1C#N 23699273 574038710 /nfs/dbraw/zinc/03/87/10/574038710.db2.gz HGFSTCATUZBWSJ-IUCAKERBSA-N 0 0 137.226 2.726 10 30 AFEERN C[C@H]1CCCCC[C@@H]1C#N 23699268 574038794 /nfs/dbraw/zinc/03/87/94/574038794.db2.gz HGFSTCATUZBWSJ-DTWKUNHWSA-N 0 0 137.226 2.726 10 30 AFEERN C[C@@H]1CCCCC[C@@H]1C#N 23699266 574038796 /nfs/dbraw/zinc/03/87/96/574038796.db2.gz HGFSTCATUZBWSJ-RKDXNWHRSA-N 0 0 137.226 2.726 10 30 AFEERN CC(C)N[C@H](C#N)C1(C(C)C)CCC1 686133926 574041290 /nfs/dbraw/zinc/04/12/90/574041290.db2.gz RXJWLRCRNJUXJF-LLVKDONJSA-N 0 0 194.322 2.703 10 30 AFEERN C=CC[C@H](O)Cc1c(C)cccc1C 128247868 574043278 /nfs/dbraw/zinc/04/32/78/574043278.db2.gz KQDRNSFDLTULGL-LBPRGKRZSA-N 0 0 190.286 2.783 10 30 AFEERN CC(C)c1cn2ccccc2c1C#N 259296931 574043569 /nfs/dbraw/zinc/04/35/69/574043569.db2.gz BGVZXBGUUBNLAE-UHFFFAOYSA-N 0 0 184.242 2.934 10 30 AFEERN FCc1ccc(CS)cc1 113247705 574047785 /nfs/dbraw/zinc/04/77/85/574047785.db2.gz FYXMJVUFGQNVMG-UHFFFAOYSA-N 0 0 156.225 2.586 10 30 AFEERN CCCCCCC[C@@]1(C)CC(=O)N1 113211391 574048090 /nfs/dbraw/zinc/04/80/90/574048090.db2.gz CLESRIFJGLUXHL-NSHDSACASA-N 0 0 183.295 2.626 10 30 AFEERN C=CCCCNc1ncc(F)cc1C 1159259701 760802963 /nfs/dbraw/zinc/80/29/63/760802963.db2.gz QOVFGKDASFFBRC-UHFFFAOYSA-N 0 0 194.253 2.907 10 30 AFEERN C=CCCCNc1nccc(C)c1F 1159259620 760803323 /nfs/dbraw/zinc/80/33/23/760803323.db2.gz NOJAAFMKLDMWGV-UHFFFAOYSA-N 0 0 194.253 2.907 10 30 AFEERN CCCCNc1cc(F)ccc1C#N 1161989002 760826722 /nfs/dbraw/zinc/82/67/22/760826722.db2.gz DSPVOOXSYVSLCV-UHFFFAOYSA-N 0 0 192.237 2.909 10 30 AFEERN C=C(C)CNc1nccc2ccncc12 1163372140 760837952 /nfs/dbraw/zinc/83/79/52/760837952.db2.gz GMJGTQBCAYQNKO-UHFFFAOYSA-N 0 0 199.257 2.618 10 30 AFEERN C=C(C)CNc1cccc(CC)n1 1163382264 760839601 /nfs/dbraw/zinc/83/96/01/760839601.db2.gz YFTZIWUAYAEVJH-UHFFFAOYSA-N 0 0 176.263 2.632 10 30 AFEERN CC1(Nc2cc(F)ccc2C#N)CC1 1163421795 760839942 /nfs/dbraw/zinc/83/99/42/760839942.db2.gz GVJUVPZKHDUBQJ-UHFFFAOYSA-N 0 0 190.221 2.662 10 30 AFEERN CCC#C[C@H](C)N(C)Cc1ccoc1 1167138827 760862991 /nfs/dbraw/zinc/86/29/91/760862991.db2.gz QTARGNGDAQZGMP-NSHDSACASA-N 0 0 191.274 2.513 10 30 AFEERN CCC#C[C@@H](C)N(C)Cc1ccoc1 1167138826 760863532 /nfs/dbraw/zinc/86/35/32/760863532.db2.gz QTARGNGDAQZGMP-LLVKDONJSA-N 0 0 191.274 2.513 10 30 AFEERN CCC(C#N)(CC)N[C@H]1CC[C@H](C)C1 1170122050 761016586 /nfs/dbraw/zinc/01/65/86/761016586.db2.gz OZLMERKOJQELRJ-QWRGUYRKSA-N 0 0 194.322 2.847 10 30 AFEERN CCC(C#N)(CC)N[C@H]1CC[C@@H](C)C1 1170122048 761020661 /nfs/dbraw/zinc/02/06/61/761020661.db2.gz OZLMERKOJQELRJ-MNOVXSKESA-N 0 0 194.322 2.847 10 30 AFEERN CCC(C#N)(CC)N[C@@H]1CC[C@H](C)C1 1170122051 761021043 /nfs/dbraw/zinc/02/10/43/761021043.db2.gz OZLMERKOJQELRJ-WDEREUQCSA-N 0 0 194.322 2.847 10 30 AFEERN CCC(C#N)(CC)N[C@@H]1CC[C@@H](C)C1 1170122046 761022553 /nfs/dbraw/zinc/02/25/53/761022553.db2.gz OZLMERKOJQELRJ-GHMZBOCLSA-N 0 0 194.322 2.847 10 30 AFEERN C[C@@H]1CC[C@H](N2CCCC[C@@H]2C#N)C1 1170153748 761032638 /nfs/dbraw/zinc/03/26/38/761032638.db2.gz RUHDVQOLBMYVDC-GRYCIOLGSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@@H]1CC[C@@H](N2CCCC[C@H]2C#N)C1 1170153752 761034379 /nfs/dbraw/zinc/03/43/79/761034379.db2.gz RUHDVQOLBMYVDC-UTUOFQBUSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@@H]1CC[C@@H](N2CCCC[C@@H]2C#N)C1 1170153750 761035700 /nfs/dbraw/zinc/03/57/00/761035700.db2.gz RUHDVQOLBMYVDC-IJLUTSLNSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@@H]1CC[C@H](N2CCCC[C@H]2C#N)C1 1170153754 761037730 /nfs/dbraw/zinc/03/77/30/761037730.db2.gz RUHDVQOLBMYVDC-WOPDTQHZSA-N 0 0 192.306 2.553 10 30 AFEERN CC#CCN1CCc2cc(C)c(C)cc21 1170162625 761038801 /nfs/dbraw/zinc/03/88/01/761038801.db2.gz QBMCUHGZGDXDND-UHFFFAOYSA-N 0 0 199.297 2.689 10 30 AFEERN C=CCCCNc1cnn(C(C)C)c1 1170299969 761048551 /nfs/dbraw/zinc/04/85/51/761048551.db2.gz UATKSHQBDOMHSI-UHFFFAOYSA-N 0 0 193.294 2.842 10 30 AFEERN C=CCCCNc1nccc(Cl)n1 1170301327 761049099 /nfs/dbraw/zinc/04/90/99/761049099.db2.gz PJDGKGDXUZZUOJ-UHFFFAOYSA-N 0 0 197.669 2.508 10 30 AFEERN C=CCCN(Cc1ccc(C)o1)OC 1176310680 761439103 /nfs/dbraw/zinc/43/91/03/761439103.db2.gz GIHXKJXZUKBPSJ-UHFFFAOYSA-N 0 0 195.262 2.528 10 30 AFEERN C=CCNc1nc2ccc(F)cc2o1 1184618015 761561750 /nfs/dbraw/zinc/56/17/50/761561750.db2.gz WYZMGWPKWOKTDM-UHFFFAOYSA-N 0 0 192.193 2.565 10 30 AFEERN N#Cc1ccc(F)cc1NCC1CC1 1184740049 761562658 /nfs/dbraw/zinc/56/26/58/761562658.db2.gz KOYDDWUTECKDDB-UHFFFAOYSA-N 0 0 190.221 2.519 10 30 AFEERN CC(C)Nc1cc(F)ccc1C#N 1184572881 761563499 /nfs/dbraw/zinc/56/34/99/761563499.db2.gz YREGVRMTQRDEKM-UHFFFAOYSA-N 0 0 178.210 2.518 10 30 AFEERN C#CCCn1cnc(-c2ccccc2)c1 1190103985 761594836 /nfs/dbraw/zinc/59/48/36/761594836.db2.gz NNSQNVSJIZBFMY-UHFFFAOYSA-N 0 0 196.253 2.573 10 30 AFEERN C=CCSCc1ccncc1 1190210045 761596208 /nfs/dbraw/zinc/59/62/08/761596208.db2.gz KUEVORNOEOIYRJ-UHFFFAOYSA-N 0 0 165.261 2.501 10 30 AFEERN CCCCCCCN(C)C(=O)OC 1193894803 761644688 /nfs/dbraw/zinc/64/46/88/761644688.db2.gz CBULODINQQOFQL-UHFFFAOYSA-N 0 0 187.283 2.655 10 30 AFEERN CC#CCN(c1ccccc1)[C@@H]1C[C@@H]1C 1195044611 761681408 /nfs/dbraw/zinc/68/14/08/761681408.db2.gz BNWYEIOKTGTUQI-GXTWGEPZSA-N 0 0 199.297 2.925 10 30 AFEERN CC#CCN(c1ccccc1)[C@@H]1C[C@H]1C 1195044640 761682268 /nfs/dbraw/zinc/68/22/68/761682268.db2.gz BNWYEIOKTGTUQI-TZMCWYRMSA-N 0 0 199.297 2.925 10 30 AFEERN CC#CCN(c1ccccc1)[C@H]1C[C@@H]1C 1195044633 761682837 /nfs/dbraw/zinc/68/28/37/761682837.db2.gz BNWYEIOKTGTUQI-JSGCOSHPSA-N 0 0 199.297 2.925 10 30 AFEERN CC#CCN(c1ccccc1)[C@H]1C[C@H]1C 1195044636 761684071 /nfs/dbraw/zinc/68/40/71/761684071.db2.gz BNWYEIOKTGTUQI-OCCSQVGLSA-N 0 0 199.297 2.925 10 30 AFEERN C=C(C)CN(CC)C(=O)O[C@@H](C)CC 1195107506 761687857 /nfs/dbraw/zinc/68/78/57/761687857.db2.gz GGPZGEKVLMTJKK-JTQLQIEISA-N 0 0 199.294 2.820 10 30 AFEERN C=C(C)CN(CC)C(=O)O[C@H](C)CC 1195107508 761689471 /nfs/dbraw/zinc/68/94/71/761689471.db2.gz GGPZGEKVLMTJKK-SNVBAGLBSA-N 0 0 199.294 2.820 10 30 AFEERN C#CCCN1c2ccccc2CC1(C)C 1196622385 761706642 /nfs/dbraw/zinc/70/66/42/761706642.db2.gz FIRVWEURJCCBFU-UHFFFAOYSA-N 0 0 199.297 2.851 10 30 AFEERN CC#CCN1CCc2cc(CC)ccc21 1198585195 761716415 /nfs/dbraw/zinc/71/64/15/761716415.db2.gz DUVUGPCOCXQIIO-UHFFFAOYSA-N 0 0 199.297 2.635 10 30 AFEERN CCCCCCCCN1CCCO1 1201804590 761810753 /nfs/dbraw/zinc/81/07/53/761810753.db2.gz PJWNKKXECQZYRH-UHFFFAOYSA-N 0 0 185.311 2.984 10 30 AFEERN C#C[C@@H](C)OCc1cccc(C)c1 1204668560 761862609 /nfs/dbraw/zinc/86/26/09/761862609.db2.gz WEMCFLOCYLVQCM-LLVKDONJSA-N 0 0 174.243 2.533 10 30 AFEERN C#C[C@@H](C)OCc1ccccc1C 1204654002 761862755 /nfs/dbraw/zinc/86/27/55/761862755.db2.gz QCZFMVCEMBXEMG-LLVKDONJSA-N 0 0 174.243 2.533 10 30 AFEERN C#C[C@H](C)OCc1ccc(C)cc1 1204678801 761862778 /nfs/dbraw/zinc/86/27/78/761862778.db2.gz ALSYDLLGPPNNOM-NSHDSACASA-N 0 0 174.243 2.533 10 30 AFEERN C#C[C@H](C)OCc1ccccc1C 1204654003 761863435 /nfs/dbraw/zinc/86/34/35/761863435.db2.gz QCZFMVCEMBXEMG-NSHDSACASA-N 0 0 174.243 2.533 10 30 AFEERN C#C[C@@H](C)OCc1ccc(C)cc1 1204678800 761863464 /nfs/dbraw/zinc/86/34/64/761863464.db2.gz ALSYDLLGPPNNOM-LLVKDONJSA-N 0 0 174.243 2.533 10 30 AFEERN C#C[C@H](C)OCc1cccc(C)c1 1204668701 761863517 /nfs/dbraw/zinc/86/35/17/761863517.db2.gz WEMCFLOCYLVQCM-NSHDSACASA-N 0 0 174.243 2.533 10 30 AFEERN C=CC[C@@H](C)OCC(=O)C(C)(C)C 1204845920 761865657 /nfs/dbraw/zinc/86/56/57/761865657.db2.gz MAWCBBKRYLBHOU-SECBINFHSA-N 0 0 184.279 2.583 10 30 AFEERN C=CCC(CC=C)OCC(=O)CC 1204862797 761867854 /nfs/dbraw/zinc/86/78/54/761867854.db2.gz KJEQVQVIQSBLCW-UHFFFAOYSA-N 0 0 182.263 2.503 10 30 AFEERN C#CCO[C@H](CC)CCCCC 1205006834 761880905 /nfs/dbraw/zinc/88/09/05/761880905.db2.gz XHXQBRDWVTUXSQ-LLVKDONJSA-N 0 0 168.280 2.995 10 30 AFEERN C#CCO[C@@H](CC)CCCCC 1205006835 761881879 /nfs/dbraw/zinc/88/18/79/761881879.db2.gz XHXQBRDWVTUXSQ-NSHDSACASA-N 0 0 168.280 2.995 10 30 AFEERN C#CCO[C@H](C)CCC=C(C)C 1205012853 761884995 /nfs/dbraw/zinc/88/49/95/761884995.db2.gz WYSZIJWAOHZUPK-LLVKDONJSA-N 0 0 166.264 2.771 10 30 AFEERN C#CCO[C@@H](C)CCC=C(C)C 1205012854 761885144 /nfs/dbraw/zinc/88/51/44/761885144.db2.gz WYSZIJWAOHZUPK-NSHDSACASA-N 0 0 166.264 2.771 10 30 AFEERN C=CCC(CC=C)O[C@H](C)C(C)=O 1205231787 761909535 /nfs/dbraw/zinc/90/95/35/761909535.db2.gz FZTSFJIQDLEQHL-SNVBAGLBSA-N 0 0 182.263 2.501 10 30 AFEERN C=CCC(CC=C)O[C@@H](C)C(C)=O 1205231786 761910730 /nfs/dbraw/zinc/91/07/30/761910730.db2.gz FZTSFJIQDLEQHL-JTQLQIEISA-N 0 0 182.263 2.501 10 30 AFEERN N#Cc1ccc(COC2CC=CC2)cc1 1205598238 761968453 /nfs/dbraw/zinc/96/84/53/761968453.db2.gz PJEQCBCXJSWHIZ-UHFFFAOYSA-N 0 0 199.253 2.793 10 30 AFEERN N#Cc1ccccc1COC1CC=CC1 1205579839 761972114 /nfs/dbraw/zinc/97/21/14/761972114.db2.gz QYQXNDSWKMCRTH-UHFFFAOYSA-N 0 0 199.253 2.793 10 30 AFEERN N#Cc1cccc(COC2CC=CC2)c1 1205590126 761972457 /nfs/dbraw/zinc/97/24/57/761972457.db2.gz XAFQBBMSVYFTFY-UHFFFAOYSA-N 0 0 199.253 2.793 10 30 AFEERN C=CCC(CC=C)OCC(C)(C)CO 1205796125 762005593 /nfs/dbraw/zinc/00/55/93/762005593.db2.gz SMBDZXDVWKEZTJ-UHFFFAOYSA-N 0 0 198.306 2.542 10 30 AFEERN C=CCCCCN1CC(F)(C2CC2)C1 1209200583 762285177 /nfs/dbraw/zinc/28/51/77/762285177.db2.gz KCDKDAARXXJEMV-UHFFFAOYSA-N 0 0 197.297 2.777 10 30 AFEERN C=CCCCCN1CCCC[C@@H]1C#N 1209204355 762289198 /nfs/dbraw/zinc/28/91/98/762289198.db2.gz CQLVIACZTBEUSH-GFCCVEGCSA-N 0 0 192.306 2.721 10 30 AFEERN C=CCCCCN1CCCC[C@H]1C#N 1209204357 762290309 /nfs/dbraw/zinc/29/03/09/762290309.db2.gz CQLVIACZTBEUSH-LBPRGKRZSA-N 0 0 192.306 2.721 10 30 AFEERN C=CCCCCCCN1CCCO1 1209431080 762310438 /nfs/dbraw/zinc/31/04/38/762310438.db2.gz GZXZWPZCVOGAIN-UHFFFAOYSA-N 0 0 183.295 2.760 10 30 AFEERN C=CCCCCCN1CC(C)(F)C1 1209423397 762311786 /nfs/dbraw/zinc/31/17/86/762311786.db2.gz OEMITOHKXCHQGD-UHFFFAOYSA-N 0 0 185.286 2.777 10 30 AFEERN C=CCCCCCCN(C)CC#N 1209435781 762312563 /nfs/dbraw/zinc/31/25/63/762312563.db2.gz JJDIGMLCCRXOKC-UHFFFAOYSA-N 0 0 180.295 2.578 10 30 AFEERN C=CCCCCCCN1CC(C#N)C1 1209431110 762312603 /nfs/dbraw/zinc/31/26/03/762312603.db2.gz HJFUAXGNXARMKC-UHFFFAOYSA-N 0 0 192.306 2.578 10 30 AFEERN C=CCCCCCN1CC(F)(F)C1 1209423178 762312694 /nfs/dbraw/zinc/31/26/94/762312694.db2.gz ICFUEVHZJLVJMS-UHFFFAOYSA-N 0 0 189.249 2.684 10 30 AFEERN C=CCCCCCCN1CC(F)C1 1209431583 762312717 /nfs/dbraw/zinc/31/27/17/762312717.db2.gz QHEKYAYQJIQIDA-UHFFFAOYSA-N 0 0 185.286 2.777 10 30 AFEERN C=CCCCCCN1CCCCO1 1209423278 762313754 /nfs/dbraw/zinc/31/37/54/762313754.db2.gz LLJNUSNSGNJHOW-UHFFFAOYSA-N 0 0 183.295 2.760 10 30 AFEERN C=CCCCCCCN(C)[C@@H](C)C#N 1209441687 762315346 /nfs/dbraw/zinc/31/53/46/762315346.db2.gz YXWAFKFWISXSBN-LBPRGKRZSA-N 0 0 194.322 2.967 10 30 AFEERN C=CCCCCCCN(C)[C@H](C)C#N 1209441685 762318976 /nfs/dbraw/zinc/31/89/76/762318976.db2.gz YXWAFKFWISXSBN-GFCCVEGCSA-N 0 0 194.322 2.967 10 30 AFEERN C=CCCCCOC1CCC(O)CC1 1217901263 763920146 /nfs/dbraw/zinc/92/01/46/763920146.db2.gz YHWRAKOIVPPIEH-UHFFFAOYSA-N 0 0 198.306 2.663 10 30 AFEERN C#C[C@H](C)OCc1ccc(C)c(C)c1 1222851409 764103107 /nfs/dbraw/zinc/10/31/07/764103107.db2.gz CCHHDIRSYKVDSL-LBPRGKRZSA-N 0 0 188.270 2.842 10 30 AFEERN C#C[C@@H](C)OCc1ccc(C)c(C)c1 1222851408 764106478 /nfs/dbraw/zinc/10/64/78/764106478.db2.gz CCHHDIRSYKVDSL-GFCCVEGCSA-N 0 0 188.270 2.842 10 30 AFEERN C#C[C@H](C)OCc1ccccc1CC 1224217991 764181424 /nfs/dbraw/zinc/18/14/24/764181424.db2.gz DSHHSPXLECMCFE-NSHDSACASA-N 0 0 188.270 2.787 10 30 AFEERN C#C[C@@H](C)OCc1ccccc1CC 1224217990 764182684 /nfs/dbraw/zinc/18/26/84/764182684.db2.gz DSHHSPXLECMCFE-LLVKDONJSA-N 0 0 188.270 2.787 10 30 AFEERN C=CCCCCO[C@H]1CCCCC1=O 1224334646 764187403 /nfs/dbraw/zinc/18/74/03/764187403.db2.gz BIZTXLNRKCGNHV-LBPRGKRZSA-N 0 0 196.290 2.871 10 30 AFEERN C=CCCCCO[C@@H]1CCCCC1=O 1224334644 764189223 /nfs/dbraw/zinc/18/92/23/764189223.db2.gz BIZTXLNRKCGNHV-GFCCVEGCSA-N 0 0 196.290 2.871 10 30 AFEERN C=CCCCCOC1CCC(=O)CC1 1224336107 764189229 /nfs/dbraw/zinc/18/92/29/764189229.db2.gz AXCPWRUYHJOKGV-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN CCCCC[C@@H](CC)OCC#N 1224378453 764198902 /nfs/dbraw/zinc/19/89/02/764198902.db2.gz HGKLJHNRZBTEAS-SNVBAGLBSA-N 0 0 169.268 2.885 10 30 AFEERN CC(C)CC(CC(C)C)OCC#N 1224378993 764199857 /nfs/dbraw/zinc/19/98/57/764199857.db2.gz PTCDQUWVZMHVGE-UHFFFAOYSA-N 0 0 183.295 2.987 10 30 AFEERN CCCCC[C@H](CC)OCC#N 1224378452 764200274 /nfs/dbraw/zinc/20/02/74/764200274.db2.gz HGKLJHNRZBTEAS-JTQLQIEISA-N 0 0 169.268 2.885 10 30 AFEERN CC[C@H](C)OCC#C[Si](C)(C)C 1224616869 764225296 /nfs/dbraw/zinc/22/52/96/764225296.db2.gz ZBFCGIMCUKVOLC-JTQLQIEISA-N 0 0 184.355 2.682 10 30 AFEERN CC(C)[C@H](C)OCC#C[Si](C)(C)C 1224615512 764225302 /nfs/dbraw/zinc/22/53/02/764225302.db2.gz GGWSKMBVTRBBLP-NSHDSACASA-N 0 0 198.382 2.928 10 30 AFEERN C[C@@H](OCC#C[Si](C)(C)C)C1CC1 1224616060 764225474 /nfs/dbraw/zinc/22/54/74/764225474.db2.gz SAYYQKONLSRIRJ-SNVBAGLBSA-N 0 0 196.366 2.682 10 30 AFEERN C[C@H](OCC#C[Si](C)(C)C)C1CC1 1224616058 764225517 /nfs/dbraw/zinc/22/55/17/764225517.db2.gz SAYYQKONLSRIRJ-JTQLQIEISA-N 0 0 196.366 2.682 10 30 AFEERN C[Si](C)(C)C#CCOC1CC=CC1 1224616277 764225593 /nfs/dbraw/zinc/22/55/93/764225593.db2.gz RWWNZOCITMJDBI-UHFFFAOYSA-N 0 0 194.350 2.602 10 30 AFEERN C[Si](C)(C)C#CCO[C@H]1C=CCC1 1224617169 764225732 /nfs/dbraw/zinc/22/57/32/764225732.db2.gz GAUDJNYRUSMWJB-NSHDSACASA-N 0 0 194.350 2.602 10 30 AFEERN CC(C)[C@@H](C)OCC#C[Si](C)(C)C 1224615511 764225776 /nfs/dbraw/zinc/22/57/76/764225776.db2.gz GGWSKMBVTRBBLP-LLVKDONJSA-N 0 0 198.382 2.928 10 30 AFEERN C=CC[C@@H](C)OCC#C[Si](C)(C)C 1224616297 764225797 /nfs/dbraw/zinc/22/57/97/764225797.db2.gz UENFSNMVJUSHAD-LLVKDONJSA-N 0 0 196.366 2.848 10 30 AFEERN CC[C@@H](C)OCC#C[Si](C)(C)C 1224616876 764226455 /nfs/dbraw/zinc/22/64/55/764226455.db2.gz ZBFCGIMCUKVOLC-SNVBAGLBSA-N 0 0 184.355 2.682 10 30 AFEERN C[Si](C)(C)C#CCO[C@@H]1C=CCC1 1224617168 764227417 /nfs/dbraw/zinc/22/74/17/764227417.db2.gz GAUDJNYRUSMWJB-LLVKDONJSA-N 0 0 194.350 2.602 10 30 AFEERN N#CC1(CO[C@H]2CCCC[C@@H]2F)CC1 1224947246 764276244 /nfs/dbraw/zinc/27/62/44/764276244.db2.gz BVNGBGZUPMTHAP-UWVGGRQHSA-N 0 0 197.253 2.587 10 30 AFEERN N#CC1(CO[C@@H]2CCCC[C@H]2F)CC1 1224947243 764277955 /nfs/dbraw/zinc/27/79/55/764277955.db2.gz BVNGBGZUPMTHAP-NXEZZACHSA-N 0 0 197.253 2.587 10 30 AFEERN N#CC1(CO[C@H]2CCCC[C@H]2F)CC1 1224947248 764276736 /nfs/dbraw/zinc/27/67/36/764276736.db2.gz BVNGBGZUPMTHAP-ZJUUUORDSA-N 0 0 197.253 2.587 10 30 AFEERN N#CC1(CO[C@@H]2CCCC[C@@H]2F)CC1 1224947247 764277184 /nfs/dbraw/zinc/27/71/84/764277184.db2.gz BVNGBGZUPMTHAP-VHSXEESVSA-N 0 0 197.253 2.587 10 30 AFEERN C#C[C@H](C)OCC1=CCCCC1 1224999852 764279740 /nfs/dbraw/zinc/27/97/40/764279740.db2.gz BFMMRSQZJJHGBZ-JTQLQIEISA-N 0 0 164.248 2.525 10 30 AFEERN N#Cc1ccccc1OC1CC=CC1 1225196687 764293243 /nfs/dbraw/zinc/29/32/43/764293243.db2.gz VXCUFMWUHPFCCS-UHFFFAOYSA-N 0 0 185.226 2.656 10 30 AFEERN C=CCC(CC=C)Oc1cccnc1 1225283371 764297431 /nfs/dbraw/zinc/29/74/31/764297431.db2.gz IBOHUXBQXGCPTB-UHFFFAOYSA-N 0 0 189.258 2.981 10 30 AFEERN C#C[C@H](CC)Oc1ccc(Cl)nc1 1225597705 764322125 /nfs/dbraw/zinc/32/21/25/764322125.db2.gz LCXHBMFQHVEUSV-MRVPVSSYSA-N 0 0 195.649 2.526 10 30 AFEERN C#C[C@@H](CC)Oc1ccc(Cl)nc1 1225597711 764322422 /nfs/dbraw/zinc/32/24/22/764322422.db2.gz LCXHBMFQHVEUSV-QMMMGPOBSA-N 0 0 195.649 2.526 10 30 AFEERN C#C[C@H](CC)Oc1ccnc(Cl)c1 1225780765 764333619 /nfs/dbraw/zinc/33/36/19/764333619.db2.gz DOFBAXJRLWKNGS-MRVPVSSYSA-N 0 0 195.649 2.526 10 30 AFEERN C=C[C@@H](C)Oc1cnc(Cl)c(C)c1 1225822236 764334194 /nfs/dbraw/zinc/33/41/94/764334194.db2.gz IMXVETJNCFODSU-MRVPVSSYSA-N 0 0 197.665 2.997 10 30 AFEERN C#C[C@@H](CC)Oc1ccnc(Cl)c1 1225780766 764334225 /nfs/dbraw/zinc/33/42/25/764334225.db2.gz DOFBAXJRLWKNGS-QMMMGPOBSA-N 0 0 195.649 2.526 10 30 AFEERN C=C[C@H](C)Oc1cnc(Cl)c(C)c1 1225822237 764336101 /nfs/dbraw/zinc/33/61/01/764336101.db2.gz IMXVETJNCFODSU-QMMMGPOBSA-N 0 0 197.665 2.997 10 30 AFEERN C=CC[C@@H](C)Oc1cccc(F)n1 1226186283 764345719 /nfs/dbraw/zinc/34/57/19/764345719.db2.gz KUPTVBOPHHVCSD-MRVPVSSYSA-N 0 0 181.210 2.564 10 30 AFEERN CCC(CC)Oc1cncc(C#N)c1 1226683671 764372167 /nfs/dbraw/zinc/37/21/67/764372167.db2.gz IBOWXKYYALRHFD-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN CCC[C@@H](C)Oc1cncc(C#N)c1 1226683213 764372781 /nfs/dbraw/zinc/37/27/81/764372781.db2.gz CPHWBYHVDGOEEP-SECBINFHSA-N 0 0 190.246 2.521 10 30 AFEERN CCC[C@H](C)Oc1cncc(C#N)c1 1226683214 764373449 /nfs/dbraw/zinc/37/34/49/764373449.db2.gz CPHWBYHVDGOEEP-VIFPVBQESA-N 0 0 190.246 2.521 10 30 AFEERN Cc1ccc(C#N)c(OC2CC=CC2)c1 1226753762 764377601 /nfs/dbraw/zinc/37/76/01/764377601.db2.gz IPHGQUOWDCHDOM-UHFFFAOYSA-N 0 0 199.253 2.964 10 30 AFEERN C=CC[C@@H](C)Oc1ccnc(F)c1 1226784923 764385147 /nfs/dbraw/zinc/38/51/47/764385147.db2.gz SADZAQPYFXCGSO-MRVPVSSYSA-N 0 0 181.210 2.564 10 30 AFEERN C#C[C@@H](CC)Oc1cccc(Cl)n1 1227931575 764444696 /nfs/dbraw/zinc/44/46/96/764444696.db2.gz ZVHIOYQRKHBDOS-QMMMGPOBSA-N 0 0 195.649 2.526 10 30 AFEERN C#C[C@H](CC)Oc1cccc(Cl)n1 1227931573 764446773 /nfs/dbraw/zinc/44/67/73/764446773.db2.gz ZVHIOYQRKHBDOS-MRVPVSSYSA-N 0 0 195.649 2.526 10 30 AFEERN C=C[C@H](C)Oc1cccc(OC)c1F 1228569641 764477417 /nfs/dbraw/zinc/47/74/17/764477417.db2.gz RMPHJNHDNUSHHS-QMMMGPOBSA-N 0 0 196.221 2.788 10 30 AFEERN C=C[C@@H](C)Oc1cccc(OC)c1F 1228569640 764480254 /nfs/dbraw/zinc/48/02/54/764480254.db2.gz RMPHJNHDNUSHHS-MRVPVSSYSA-N 0 0 196.221 2.788 10 30 AFEERN Cc1cccc(C#N)c1OC1CC=CC1 1229179069 764497200 /nfs/dbraw/zinc/49/72/00/764497200.db2.gz DAFBMRVNUFVRQC-UHFFFAOYSA-N 0 0 199.253 2.964 10 30 AFEERN Cc1cc(OC2CC=CC2)ccc1C#N 1229213702 764498658 /nfs/dbraw/zinc/49/86/58/764498658.db2.gz YRELXRXFUBUWCL-UHFFFAOYSA-N 0 0 199.253 2.964 10 30 AFEERN Cc1cc(C#N)ccc1OC1CC=CC1 1230683214 764520768 /nfs/dbraw/zinc/52/07/68/764520768.db2.gz XFILHUKPCXGXTC-UHFFFAOYSA-N 0 0 199.253 2.964 10 30 AFEERN C=C(C)c1ccc2c(n1)CCCC2 1240832357 764899098 /nfs/dbraw/zinc/89/90/98/764899098.db2.gz OPEYCNZOWKOEKJ-UHFFFAOYSA-N 0 0 173.259 2.994 10 30 AFEERN C=C(C)c1ccc2c(n1)CCC2 1240832277 764900500 /nfs/dbraw/zinc/90/05/00/764900500.db2.gz KKSFGSZULWCCQZ-UHFFFAOYSA-N 0 0 159.232 2.603 10 30 AFEERN C=C(C)c1cnc(C)c(C)c1 1240834979 764917971 /nfs/dbraw/zinc/91/79/71/764917971.db2.gz HLVZLRJUDQXFDN-UHFFFAOYSA-N 0 0 147.221 2.732 10 30 AFEERN C=C(C)c1cnc2c(c1)CCC2 1240835574 764928598 /nfs/dbraw/zinc/92/85/98/764928598.db2.gz VLEZKHYYNVGTDG-UHFFFAOYSA-N 0 0 159.232 2.603 10 30 AFEERN C=C(C)c1cnc(C)cc1C 1240835197 764930061 /nfs/dbraw/zinc/93/00/61/764930061.db2.gz NUTPVPDMYAQEAZ-UHFFFAOYSA-N 0 0 147.221 2.732 10 30 AFEERN C=C(C)c1ccnc(C)c1C 1240835578 764931389 /nfs/dbraw/zinc/93/13/89/764931389.db2.gz VQKDDJPOBDBLMV-UHFFFAOYSA-N 0 0 147.221 2.732 10 30 AFEERN C=C(C)c1c(C)ccnc1C 1240838039 764940012 /nfs/dbraw/zinc/94/00/12/764940012.db2.gz OCJALKZFCGVVFO-UHFFFAOYSA-N 0 0 147.221 2.732 10 30 AFEERN C=C(C)c1cncc(OCC)c1 1240838174 764945127 /nfs/dbraw/zinc/94/51/27/764945127.db2.gz WPKLYVKQNCFWQM-UHFFFAOYSA-N 0 0 163.220 2.513 10 30 AFEERN CC(C)(C)Cc1cncc(C#N)c1 1249927092 765380222 /nfs/dbraw/zinc/38/02/22/765380222.db2.gz JSWGDKWSFIBXFA-UHFFFAOYSA-N 0 0 174.247 2.542 10 30 AFEERN C#CCc1cc(C)sc1C 1249946389 765396921 /nfs/dbraw/zinc/39/69/21/765396921.db2.gz YZCQZIWQGZZIDU-UHFFFAOYSA-N 0 0 150.246 2.541 10 30 AFEERN C#CCc1ccc(Cl)c(OC)c1 1249947554 765397241 /nfs/dbraw/zinc/39/72/41/765397241.db2.gz IWHVERBETZFWII-UHFFFAOYSA-N 0 0 180.634 2.524 10 30 AFEERN C#CCc1ccc(C2CC2)cc1 1249947325 765397354 /nfs/dbraw/zinc/39/73/54/765397354.db2.gz BQKKJPAHIRPUOY-UHFFFAOYSA-N 0 0 156.228 2.740 10 30 AFEERN C#CCc1ccc(Cl)cc1OC 1249947385 765398116 /nfs/dbraw/zinc/39/81/16/765398116.db2.gz FGICKRBGZSFNES-UHFFFAOYSA-N 0 0 180.634 2.524 10 30 AFEERN C#CCc1ccc2occc2c1 1249946027 765398262 /nfs/dbraw/zinc/39/82/62/765398262.db2.gz BUJKLKTWUCVYRC-UHFFFAOYSA-N 0 0 156.184 2.609 10 30 AFEERN C#CCc1cccc(SC)c1 1249947509 765398321 /nfs/dbraw/zinc/39/83/21/765398321.db2.gz HXBLUIOCHXLXGQ-UHFFFAOYSA-N 0 0 162.257 2.584 10 30 AFEERN C#CCc1cccc(Cl)c1F 1249947237 765398405 /nfs/dbraw/zinc/39/84/05/765398405.db2.gz AVWAGGPNQASKFF-UHFFFAOYSA-N 0 0 168.598 2.655 10 30 AFEERN C#CCc1ccc(SC)cc1 1249946261 765398414 /nfs/dbraw/zinc/39/84/14/765398414.db2.gz QUHPQTDJCSIUBK-UHFFFAOYSA-N 0 0 162.257 2.584 10 30 AFEERN C#CCc1ccc(OC(C)C)cc1 1249946085 765398971 /nfs/dbraw/zinc/39/89/71/765398971.db2.gz GRRNCBBLXIQOLT-UHFFFAOYSA-N 0 0 174.243 2.650 10 30 AFEERN C#CCc1ccccc1OC(C)C 1249947400 765399090 /nfs/dbraw/zinc/39/90/90/765399090.db2.gz GEAYRJKHDUYZOL-UHFFFAOYSA-N 0 0 174.243 2.650 10 30 AFEERN C#CCc1ccc(C)cc1Cl 1249946295 765399312 /nfs/dbraw/zinc/39/93/12/765399312.db2.gz SYKMVCFHDSKONM-UHFFFAOYSA-N 0 0 164.635 2.824 10 30 AFEERN C#CCc1cc(C)c(C)cc1C 1249948405 765400189 /nfs/dbraw/zinc/40/01/89/765400189.db2.gz XGSUMGIAFHXYDY-UHFFFAOYSA-N 0 0 158.244 2.788 10 30 AFEERN C#CCc1ccc(OCC)cc1C 1249948038 765400480 /nfs/dbraw/zinc/40/04/80/765400480.db2.gz PLHRVVCIDWKYCM-UHFFFAOYSA-N 0 0 174.243 2.569 10 30 AFEERN C#CCc1cccc(C(C)C)c1 1249947966 765400645 /nfs/dbraw/zinc/40/06/45/765400645.db2.gz NBDCAWDLYSTVIQ-UHFFFAOYSA-N 0 0 158.244 2.986 10 30 AFEERN C#CCc1cccc(C2CC2)c1 1249947997 765402250 /nfs/dbraw/zinc/40/22/50/765402250.db2.gz OVCXZOOWXLWZLD-UHFFFAOYSA-N 0 0 156.228 2.740 10 30 AFEERN C#CCc1ccc(Cl)cc1C 1249949007 765404674 /nfs/dbraw/zinc/40/46/74/765404674.db2.gz MNMANWCJGGDQBO-UHFFFAOYSA-N 0 0 164.635 2.824 10 30 AFEERN C#CCc1cc(Cl)ccc1OC 1249949215 765405258 /nfs/dbraw/zinc/40/52/58/765405258.db2.gz ROWWTRJCGPQQGY-UHFFFAOYSA-N 0 0 180.634 2.524 10 30 AFEERN C#CCc1c(F)ccc(Cl)c1F 1249949249 765405610 /nfs/dbraw/zinc/40/56/10/765405610.db2.gz TZAYOCJJXUXEJC-UHFFFAOYSA-N 0 0 186.588 2.794 10 30 AFEERN C#CCc1cc(Cl)nc(Cl)c1 1249949842 765407684 /nfs/dbraw/zinc/40/76/84/765407684.db2.gz TZUMMFBAUFTJSH-UHFFFAOYSA-N 0 0 186.041 2.564 10 30 AFEERN C=CCc1c(OC)ccc(F)c1F 1249951227 765407808 /nfs/dbraw/zinc/40/78/08/765407808.db2.gz CDOOLJCYMHMORB-UHFFFAOYSA-N 0 0 184.185 2.702 10 30 AFEERN C#CCc1ccc(F)c(Cl)c1F 1249949823 765409649 /nfs/dbraw/zinc/40/96/49/765409649.db2.gz SCSSTGFAQIZRHO-UHFFFAOYSA-N 0 0 186.588 2.794 10 30 AFEERN C=CCc1cc(OC)ccc1F 1249951612 765410024 /nfs/dbraw/zinc/41/00/24/765410024.db2.gz HWNWPQIKBJQBJF-UHFFFAOYSA-N 0 0 166.195 2.563 10 30 AFEERN C=CCc1ccc(OC)c(F)c1F 1249953533 765412266 /nfs/dbraw/zinc/41/22/66/765412266.db2.gz JFXARWCVKWXGTF-UHFFFAOYSA-N 0 0 184.185 2.702 10 30 AFEERN C=CCc1c(F)cccc1OCC 1249953483 765413510 /nfs/dbraw/zinc/41/35/10/765413510.db2.gz GIOLETBBULXQOS-UHFFFAOYSA-N 0 0 180.222 2.953 10 30 AFEERN C=CCc1c(F)cccc1OC 1249953531 765413735 /nfs/dbraw/zinc/41/37/35/765413735.db2.gz JDAPBJKTTNSHFW-UHFFFAOYSA-N 0 0 166.195 2.563 10 30 AFEERN C=CCc1ccnn1Cc1ccccc1 1249954113 765417723 /nfs/dbraw/zinc/41/77/23/765417723.db2.gz SHBZJKWUVNIPKI-UHFFFAOYSA-N 0 0 198.269 2.660 10 30 AFEERN C=CCc1ccc(F)c(OC)c1F 1249954815 765417898 /nfs/dbraw/zinc/41/78/98/765417898.db2.gz VDEYBSFXGWFDNV-UHFFFAOYSA-N 0 0 184.185 2.702 10 30 AFEERN C=CCc1ccncc1C(F)(F)F 1249956439 765419867 /nfs/dbraw/zinc/41/98/67/765419867.db2.gz CDSZKMMCSBCHMT-UHFFFAOYSA-N 0 0 187.164 2.829 10 30 AFEERN CC(C)CCc1ccc(O)c(C#N)c1 1249964240 765420453 /nfs/dbraw/zinc/42/04/53/765420453.db2.gz BTTZYLGOOZRHAO-UHFFFAOYSA-N 0 0 189.258 2.852 10 30 AFEERN C#Cc1ccc(CC(F)(F)F)cc1 1250030510 765440883 /nfs/dbraw/zinc/44/08/83/765440883.db2.gz VXBVNMBSWQRRJD-UHFFFAOYSA-N 0 0 184.160 2.773 10 30 AFEERN N#Cc1cc(C2CC2)ccc1F 1250032930 765444582 /nfs/dbraw/zinc/44/45/82/765444582.db2.gz NPERXFKVBDGGHZ-UHFFFAOYSA-N 0 0 161.179 2.575 10 30 AFEERN C#Cc1cccc(CC(F)(F)F)c1 1250030783 765445568 /nfs/dbraw/zinc/44/55/68/765445568.db2.gz PAGDYQVXTVWKNX-UHFFFAOYSA-N 0 0 184.160 2.773 10 30 AFEERN N#CCCc1cccc2[nH]ccc12 1250054961 766897540 /nfs/dbraw/zinc/89/75/40/766897540.db2.gz XUFLOKADJOKZPQ-UHFFFAOYSA-N 0 0 170.215 2.624 10 30 AFEERN Cc1cc(CCC#N)c(C)s1 1250054810 766898440 /nfs/dbraw/zinc/89/84/40/766898440.db2.gz QZCUURGGYKFKTI-UHFFFAOYSA-N 0 0 165.261 2.821 10 30 AFEERN C=C(C)Cc1ccc2ncncc2c1 1250244024 767003253 /nfs/dbraw/zinc/00/32/53/767003253.db2.gz FCNTUQTUPLCZPG-UHFFFAOYSA-N 0 0 184.242 2.748 10 30 AFEERN C=C(C)Cc1c(F)cccc1OC 1250241378 767003536 /nfs/dbraw/zinc/00/35/36/767003536.db2.gz OZBIPEIDATYXOW-UHFFFAOYSA-N 0 0 180.222 2.953 10 30 AFEERN C=C(C)Cc1ccccc1COC 1250241111 767004967 /nfs/dbraw/zinc/00/49/67/767004967.db2.gz GIIVJDULFAADAP-UHFFFAOYSA-N 0 0 176.259 2.952 10 30 AFEERN C=C(C)Cc1ccc2c(cnn2C)c1 1250241063 767005086 /nfs/dbraw/zinc/00/50/86/767005086.db2.gz DVUVILVDKDUVHS-UHFFFAOYSA-N 0 0 186.258 2.692 10 30 AFEERN C=C(C)Cc1cc(OC)ccc1F 1250240958 767005181 /nfs/dbraw/zinc/00/51/81/767005181.db2.gz AKIBGGOQNWJPTA-UHFFFAOYSA-N 0 0 180.222 2.953 10 30 AFEERN C=C(C)Cc1ccc2cnn(C)c2c1 1250240955 767006128 /nfs/dbraw/zinc/00/61/28/767006128.db2.gz AJNYFQBPCRCUAW-UHFFFAOYSA-N 0 0 186.258 2.692 10 30 AFEERN C=C(C)Cc1cnc(OC)c(Cl)c1 1250244314 767008469 /nfs/dbraw/zinc/00/84/69/767008469.db2.gz SXSNJEYGEGKWKP-UHFFFAOYSA-N 0 0 197.665 2.862 10 30 AFEERN C=C(C)CCCCF 1250259493 767014602 /nfs/dbraw/zinc/01/46/02/767014602.db2.gz IQFREXTWCODJMB-UHFFFAOYSA-N 0 0 116.179 2.702 10 30 AFEERN CCON=C(C)Cc1ccc(C)cc1 1252032021 767101789 /nfs/dbraw/zinc/10/17/89/767101789.db2.gz KZBVTRHVDVHNNM-UHFFFAOYSA-N 0 0 191.274 2.950 10 30 AFEERN CC(C)C1=CC[C@H](C)CC1=O 100250056 560052849 /nfs/dbraw/zinc/05/28/49/560052849.db2.gz OAYBZGPDRAMDNF-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 biogenic,in-vitro AFEERN C=C1[C@H]2CC[C@H](C2)[C@]1(C)CCC=O 34602121 560086949 /nfs/dbraw/zinc/08/69/49/560086949.db2.gz LWTMDKBJLLLBBC-QJPTWQEYSA-N 0 0 178.275 2.958 10 30 biogenic,in-vitro AFEERN CC(C)CCC[C@@H](C)C=O 34235879 560087459 /nfs/dbraw/zinc/08/74/59/560087459.db2.gz ACNJJWGXZLMAAX-SECBINFHSA-N 0 0 142.242 2.648 10 30 biogenic,in-vitro AFEERN C/C=C/C#CC#Cc1ccccc1 1531116 560181528 /nfs/dbraw/zinc/18/15/28/560181528.db2.gz OQOPFMDMSRLRRH-NSCUHMNNSA-N 0 0 166.223 2.618 10 30 in-vitro AFEERN C=C(C)[C@H](C)/C=C/C 2017239 560185738 /nfs/dbraw/zinc/18/57/38/560185738.db2.gz QGDVKFLWAVKNAA-HQZHTGGTSA-N 0 0 110.200 2.775 10 30 in-vitro AFEERN C=C(C)[C@@H](C)/C=C/C 2017241 560185761 /nfs/dbraw/zinc/18/57/61/560185761.db2.gz QGDVKFLWAVKNAA-GJIOHYHPSA-N 0 0 110.200 2.775 10 30 in-vitro AFEERN C=C1C[C@H]2C[C@@H]1CC2(C)C 2569941 560188149 /nfs/dbraw/zinc/18/81/49/560188149.db2.gz NJZUUYADLXBQPA-BDAKNGLRSA-N 0 0 136.238 2.999 10 30 biogenic,in-vitro AFEERN C[C@H]1CCC[C@@H](OCCCC#N)C1 20515142 1169060932 /nfs/dbraw/zinc/06/09/32/1169060932.db2.gz PMISPIQQLBKWGW-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN C[C@@H]1CCC[C@@H](OCCCC#N)C1 20515139 1169061720 /nfs/dbraw/zinc/06/17/20/1169061720.db2.gz PMISPIQQLBKWGW-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN C[C@@H]1CCC[C@H](OCCCC#N)C1 20515146 1169061988 /nfs/dbraw/zinc/06/19/88/1169061988.db2.gz PMISPIQQLBKWGW-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN C[C@H]1CCC[C@H](OCCCC#N)C1 20515150 1169062094 /nfs/dbraw/zinc/06/20/94/1169062094.db2.gz PMISPIQQLBKWGW-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CCCCCC[C@H](C)OCC#N 20514346 1169062737 /nfs/dbraw/zinc/06/27/37/1169062737.db2.gz RPPNUDUSPSUKJI-JTQLQIEISA-N 0 0 169.268 2.885 10 30 AFEERN Cc1n[nH]c(C)c1-c1cccc(C#N)c1 32002556 1169064742 /nfs/dbraw/zinc/06/47/42/1169064742.db2.gz JZXCAZQNIYSJIT-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN N#Cc1ccc(CC2CC2)cc1 32137376 1169066240 /nfs/dbraw/zinc/06/62/40/1169066240.db2.gz CRAKOMLXDSZMKW-UHFFFAOYSA-N 0 0 157.216 2.511 10 30 AFEERN C=C(C)c1ccc(C#N)cc1 34261092 1169068433 /nfs/dbraw/zinc/06/84/33/1169068433.db2.gz OYNOBUFGHAZWKN-UHFFFAOYSA-N 0 0 143.189 2.591 10 30 AFEERN C=CCOC(=O)Nc1cccc(C)c1 33948008 1169069232 /nfs/dbraw/zinc/06/92/32/1169069232.db2.gz AFNUUKTUGZTWTK-UHFFFAOYSA-N 0 0 191.230 2.730 10 30 AFEERN N#Cc1ccc(-c2ccc(F)cc2)nc1 34190994 1169070033 /nfs/dbraw/zinc/07/00/33/1169070033.db2.gz NEYQUOOBWIIAAZ-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C=CCc1ccsc1C 34087594 1169070159 /nfs/dbraw/zinc/07/01/59/1169070159.db2.gz WHJSAXVPJKZZJY-UHFFFAOYSA-N 0 0 138.235 2.785 10 30 AFEERN C=CCc1cn(C)c2ccccc12 34160841 1169070990 /nfs/dbraw/zinc/07/09/90/1169070990.db2.gz JGKXWNUINJZCDN-UHFFFAOYSA-N 0 0 171.243 2.907 10 30 AFEERN C=C[C@H](C)Oc1ccc(OC)cc1 34538738 1169071455 /nfs/dbraw/zinc/07/14/55/1169071455.db2.gz ZHACEIKQUZYRBW-VIFPVBQESA-N 0 0 178.231 2.649 10 30 AFEERN C=C[C@@H](C)Oc1ccc(OC)cc1 34538739 1169071921 /nfs/dbraw/zinc/07/19/21/1169071921.db2.gz ZHACEIKQUZYRBW-SECBINFHSA-N 0 0 178.231 2.649 10 30 AFEERN N#Cc1ccc(-c2ccncc2F)cc1 34534737 1169072973 /nfs/dbraw/zinc/07/29/73/1169072973.db2.gz XMTQYGZZUHXZOC-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C=CCc1ccnc2ccccc12 36419926 1169074833 /nfs/dbraw/zinc/07/48/33/1169074833.db2.gz OMVPPLCHNHNNST-UHFFFAOYSA-N 0 0 169.227 2.963 10 30 AFEERN Cc1cc(OC(C)C)c(C)cc1C#N 36200421 1169076695 /nfs/dbraw/zinc/07/66/95/1169076695.db2.gz UGJDKECGZBZVSG-UHFFFAOYSA-N 0 0 189.258 2.962 10 30 AFEERN CC[C@@H](C)N[C@](C)(C#N)CC(C)C 38064572 1169077152 /nfs/dbraw/zinc/07/71/52/1169077152.db2.gz SXUUJQSCSDVJRR-MNOVXSKESA-N 0 0 182.311 2.703 10 30 AFEERN C=CCOC(=O)Nc1cccc(F)c1 38251706 1169077215 /nfs/dbraw/zinc/07/72/15/1169077215.db2.gz USYQBAPQKGQLBQ-UHFFFAOYSA-N 0 0 195.193 2.560 10 30 AFEERN CC[C@](C)(C#N)NC1CCCCC1 37969488 1169077486 /nfs/dbraw/zinc/07/74/86/1169077486.db2.gz HYEVGIYXAFQEBD-LLVKDONJSA-N 0 0 180.295 2.601 10 30 AFEERN CC[C@@H](C)NC1(C#N)CCCCC1 38064196 1169077545 /nfs/dbraw/zinc/07/75/45/1169077545.db2.gz KNPABKOGGVRWMY-SNVBAGLBSA-N 0 0 180.295 2.601 10 30 AFEERN CC[C@H](C#N)NC1CCCCCC1 37970257 1169078020 /nfs/dbraw/zinc/07/80/20/1169078020.db2.gz GWNNSSAVRLYVJJ-SNVBAGLBSA-N 0 0 180.295 2.601 10 30 AFEERN CC(C)C[C@@H](C#N)NC1CCCCC1 37969426 1169078040 /nfs/dbraw/zinc/07/80/40/1169078040.db2.gz NUXIERVOOOCBHP-LBPRGKRZSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)NC1(C#N)CCCCC1 38064197 1169078372 /nfs/dbraw/zinc/07/83/72/1169078372.db2.gz KNPABKOGGVRWMY-JTQLQIEISA-N 0 0 180.295 2.601 10 30 AFEERN N#Cc1cnccc1-c1ccccc1F 38246936 1169078870 /nfs/dbraw/zinc/07/88/70/1169078870.db2.gz KUFFHNITFYCGLU-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CC[C@H](C)N[C@](C)(C#N)CC(C)C 38064573 1169079074 /nfs/dbraw/zinc/07/90/74/1169079074.db2.gz SXUUJQSCSDVJRR-QWRGUYRKSA-N 0 0 182.311 2.703 10 30 AFEERN CC(C)C[C@H](C#N)NC1CCCCC1 37969427 1169079758 /nfs/dbraw/zinc/07/97/58/1169079758.db2.gz NUXIERVOOOCBHP-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)C[C@](C)(C#N)NC1CCCC1 37968455 1169080403 /nfs/dbraw/zinc/08/04/03/1169080403.db2.gz YMXDKZFMZUQOEZ-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)C[C@@](C)(C#N)NC1CCCC1 37968454 1169080781 /nfs/dbraw/zinc/08/07/81/1169080781.db2.gz YMXDKZFMZUQOEZ-LBPRGKRZSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@@](C)(C#N)NC1CCCCC1 37969487 1169080919 /nfs/dbraw/zinc/08/09/19/1169080919.db2.gz HYEVGIYXAFQEBD-NSHDSACASA-N 0 0 180.295 2.601 10 30 AFEERN CC[C@H](C)N[C@@](C)(C#N)CC(C)C 38064575 1169081550 /nfs/dbraw/zinc/08/15/50/1169081550.db2.gz SXUUJQSCSDVJRR-WDEREUQCSA-N 0 0 182.311 2.703 10 30 AFEERN CCC(C#N)(CC)NC1CCCC1 37968503 1169081624 /nfs/dbraw/zinc/08/16/24/1169081624.db2.gz KACMSAFCFIYRLY-UHFFFAOYSA-N 0 0 180.295 2.601 10 30 AFEERN Cc1ccc(C(C)C)c(C#N)c1 39103623 1169083016 /nfs/dbraw/zinc/08/30/16/1169083016.db2.gz AMZUJLOTAXYCLD-UHFFFAOYSA-N 0 0 159.232 2.990 10 30 AFEERN C=C(C)c1ncc2ccccc2n1 39038503 1169083549 /nfs/dbraw/zinc/08/35/49/1169083549.db2.gz DNTRRBBAVTYSAP-UHFFFAOYSA-N 0 0 170.215 2.663 10 30 AFEERN COc1ccc(CCCC#N)cc1 39258104 1169084050 /nfs/dbraw/zinc/08/40/50/1169084050.db2.gz QGCORZVATLGZQP-UHFFFAOYSA-N 0 0 175.231 2.541 10 30 AFEERN CCCCc1ccccc1C#N 39198871 1169084201 /nfs/dbraw/zinc/08/42/01/1169084201.db2.gz CQKKTUCVEOBIBW-UHFFFAOYSA-N 0 0 159.232 2.901 10 30 AFEERN C=C(C)c1ncnc2ccccc12 39168371 1169084342 /nfs/dbraw/zinc/08/43/42/1169084342.db2.gz PORIEVBWYWOVOK-UHFFFAOYSA-N 0 0 170.215 2.663 10 30 AFEERN C=C(C)c1ccsc1 38809864 1169084665 /nfs/dbraw/zinc/08/46/65/1169084665.db2.gz UDJMXDQDAPZQSZ-UHFFFAOYSA-N 0 0 124.208 2.781 10 30 AFEERN C=CCc1ccccc1COC 39120362 1169084782 /nfs/dbraw/zinc/08/47/82/1169084782.db2.gz KNWBEAUGZKZABI-UHFFFAOYSA-N 0 0 162.232 2.562 10 30 AFEERN C=CCc1c(O)cccc1Cl 39643468 1169086488 /nfs/dbraw/zinc/08/64/88/1169086488.db2.gz YJXFVEWYNFGQAJ-UHFFFAOYSA-N 0 0 168.623 2.774 10 30 AFEERN C=CCN(C(=O)CC)C1CCCCC1 39384312 1169087614 /nfs/dbraw/zinc/08/76/14/1169087614.db2.gz GFVOXENXJDWQDS-UHFFFAOYSA-N 0 0 195.306 2.744 10 30 AFEERN CCOCCC1=CC(=O)CC(C)(C)C1 39274056 1169087647 /nfs/dbraw/zinc/08/76/47/1169087647.db2.gz DPFXQMMWDMFRIV-UHFFFAOYSA-N 0 0 196.290 2.729 10 30 AFEERN COc1ccc(F)cc1CCCC#N 41206168 1169088737 /nfs/dbraw/zinc/08/87/37/1169088737.db2.gz UERXATLYDGIOJM-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CCOc1ccc(CCCC#N)cc1 41204633 1169089069 /nfs/dbraw/zinc/08/90/69/1169089069.db2.gz GZMJUGANGXPJFC-UHFFFAOYSA-N 0 0 189.258 2.932 10 30 AFEERN COc1ccc(CCCC#N)cc1C 41204599 1169089443 /nfs/dbraw/zinc/08/94/43/1169089443.db2.gz IJAPNQJALIVSIK-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN COc1ccc(CCCC#N)cc1F 41206165 1169089454 /nfs/dbraw/zinc/08/94/54/1169089454.db2.gz ZUMSLWQEPCKLRT-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN COc1ccc(C)cc1CCCC#N 41204601 1169089789 /nfs/dbraw/zinc/08/97/89/1169089789.db2.gz SDWGJNYFZWRVGB-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN N#Cc1cc(F)cc(-c2ccncc2)c1 47212968 1169090296 /nfs/dbraw/zinc/09/02/96/1169090296.db2.gz GMFJLMQWRMIUDB-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cccc(-c2cccc(F)c2)n1 47203946 1169090447 /nfs/dbraw/zinc/09/04/47/1169090447.db2.gz VJMUCYVKEJHYCS-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cc(F)ccc1-c1cccnc1 47212947 1169090516 /nfs/dbraw/zinc/09/05/16/1169090516.db2.gz IWOPZGYWMJUCHK-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1ccc(-c2ccncc2)c(F)c1 47212980 1169090528 /nfs/dbraw/zinc/09/05/28/1169090528.db2.gz SEYKVSPQTNPJLP-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1ccc(-c2ccncc2)cc1F 47212974 1169090563 /nfs/dbraw/zinc/09/05/63/1169090563.db2.gz KCCDWQLTNIIHGQ-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1ncccc1-c1ccccc1F 47203948 1169090607 /nfs/dbraw/zinc/09/06/07/1169090607.db2.gz HXHXAJZEQCIMRX-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cccc(-c2ccc(F)cc2)n1 47203947 1169090627 /nfs/dbraw/zinc/09/06/27/1169090627.db2.gz MJJROHFGARFOSU-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1ncccc1-c1cccc(F)c1 47203949 1169090714 /nfs/dbraw/zinc/09/07/14/1169090714.db2.gz PXHLWPHHZGBZIH-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cccc(-c2ccccc2F)n1 47203945 1169090736 /nfs/dbraw/zinc/09/07/36/1169090736.db2.gz RMWOWFRJOOUJQS-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cc(F)ccc1-c1ccncc1 47212949 1169090747 /nfs/dbraw/zinc/09/07/47/1169090747.db2.gz TXAGTHKPDLXRMU-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cc(F)cc(-c2cccnc2)c1 47212966 1169090758 /nfs/dbraw/zinc/09/07/58/1169090758.db2.gz RHOHIZNFWUZVQJ-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1ccc(-c2ccccc2F)nc1 47203943 1169090767 /nfs/dbraw/zinc/09/07/67/1169090767.db2.gz XYAOOGDXDRRDPV-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1ccc(-c2cccnc2)cc1F 47212971 1169090821 /nfs/dbraw/zinc/09/08/21/1169090821.db2.gz RFYCMOBKAHBWIQ-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cccc(-c2ccncc2)c1F 47212957 1169090839 /nfs/dbraw/zinc/09/08/39/1169090839.db2.gz AOQWKTFGEAOWIM-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cccc(-c2cccnc2)c1F 47212955 1169090937 /nfs/dbraw/zinc/09/09/37/1169090937.db2.gz XINQINNAZPIQMG-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cc(-c2ccncc2)ccc1F 47212985 1169090947 /nfs/dbraw/zinc/09/09/47/1169090947.db2.gz RUNFLPQDDQVLHF-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN Cc1cc(-c2ccncc2)ccc1C#N 47216605 1169091196 /nfs/dbraw/zinc/09/11/96/1169091196.db2.gz MKVFMHBUKVFGKT-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN N#Cc1ccc(-c2cccnc2)c(F)c1 47212977 1169091361 /nfs/dbraw/zinc/09/13/61/1169091361.db2.gz AWPUBLPTQMHQQH-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1ccc(F)c(-c2ccncc2)c1 47212963 1169091380 /nfs/dbraw/zinc/09/13/80/1169091380.db2.gz JYDPAFFWXGNOKL-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cc(-c2cccnc2)ccc1F 47212983 1169091448 /nfs/dbraw/zinc/09/14/48/1169091448.db2.gz TYGPARBIXJSYGJ-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN Cc1cc(-c2cccnc2)ccc1C#N 47216603 1169091696 /nfs/dbraw/zinc/09/16/96/1169091696.db2.gz ZSRHBURLPHDKPG-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN C#CCNc1ccc(OC(C)C)cc1 50521811 1169092052 /nfs/dbraw/zinc/09/20/52/1169092052.db2.gz HWZZEFGVYCOQTR-UHFFFAOYSA-N 0 0 189.258 2.519 10 30 AFEERN N#Cc1ccccc1COC1CCC1 50520441 1169092913 /nfs/dbraw/zinc/09/29/13/1169092913.db2.gz AXTPJHQIPGHVPV-UHFFFAOYSA-N 0 0 187.242 2.627 10 30 AFEERN Cc1ccc(C#N)c(-c2ccccn2)c1 82387265 1169110370 /nfs/dbraw/zinc/11/03/70/1169110370.db2.gz QABLZKNXUIVKRP-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN C=C[C@@H](C)Oc1ccc(F)cc1 82865187 1169112028 /nfs/dbraw/zinc/11/20/28/1169112028.db2.gz WYVDGRVFUIOYCF-MRVPVSSYSA-N 0 0 166.195 2.779 10 30 AFEERN C=CCC1=CC(=O)CC(C)(C)C1 83546706 1169112070 /nfs/dbraw/zinc/11/20/70/1169112070.db2.gz UOGORZYAKFMYFR-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@H](C)Oc1cccc(F)c1 82865247 1169112187 /nfs/dbraw/zinc/11/21/87/1169112187.db2.gz BANOECMALWUVFD-QMMMGPOBSA-N 0 0 166.195 2.779 10 30 AFEERN C=C[C@H](C)Oc1ccc(C)cc1 82865170 1169112203 /nfs/dbraw/zinc/11/22/03/1169112203.db2.gz MXEBUNCIESLFFS-JTQLQIEISA-N 0 0 162.232 2.948 10 30 AFEERN C=C[C@@H](C)Oc1ccc(C)cc1 82865171 1169112914 /nfs/dbraw/zinc/11/29/14/1169112914.db2.gz MXEBUNCIESLFFS-SNVBAGLBSA-N 0 0 162.232 2.948 10 30 AFEERN C=C[C@@H](C)Oc1ccccc1C 82865114 1169112986 /nfs/dbraw/zinc/11/29/86/1169112986.db2.gz ISAXCCFLMRMZSZ-SNVBAGLBSA-N 0 0 162.232 2.948 10 30 AFEERN C=C[C@@H](C)Oc1ccccc1F 82865133 1169113376 /nfs/dbraw/zinc/11/33/76/1169113376.db2.gz BCIJOWRVGREVOU-MRVPVSSYSA-N 0 0 166.195 2.779 10 30 AFEERN C=C[C@H](C)Oc1ccc(F)cc1 82865186 1169113367 /nfs/dbraw/zinc/11/33/67/1169113367.db2.gz WYVDGRVFUIOYCF-QMMMGPOBSA-N 0 0 166.195 2.779 10 30 AFEERN C=C[C@@H](C)Oc1cccnc1Cl 83454892 1169113591 /nfs/dbraw/zinc/11/35/91/1169113591.db2.gz JDDUFYSEABCETB-SSDOTTSWSA-N 0 0 183.638 2.688 10 30 AFEERN C=C[C@H](C)Oc1cccnc1Cl 83454890 1169113704 /nfs/dbraw/zinc/11/37/04/1169113704.db2.gz JDDUFYSEABCETB-ZETCQYMHSA-N 0 0 183.638 2.688 10 30 AFEERN C=C[C@@H](C)Oc1cccc(F)c1 82865248 1169114286 /nfs/dbraw/zinc/11/42/86/1169114286.db2.gz BANOECMALWUVFD-MRVPVSSYSA-N 0 0 166.195 2.779 10 30 AFEERN C=C[C@H](C)Oc1cccc(C)c1 82865225 1169114483 /nfs/dbraw/zinc/11/44/83/1169114483.db2.gz FYWCPQZMVBJGNF-JTQLQIEISA-N 0 0 162.232 2.948 10 30 AFEERN C=C[C@H](C)Oc1ccccc1C 82865113 1169114534 /nfs/dbraw/zinc/11/45/34/1169114534.db2.gz ISAXCCFLMRMZSZ-JTQLQIEISA-N 0 0 162.232 2.948 10 30 AFEERN C=C[C@@H](C)Oc1cccc(C)c1 82865226 1169114592 /nfs/dbraw/zinc/11/45/92/1169114592.db2.gz FYWCPQZMVBJGNF-SNVBAGLBSA-N 0 0 162.232 2.948 10 30 AFEERN Cc1ccc(F)c(CCC#N)c1 84931303 1169118717 /nfs/dbraw/zinc/11/87/17/1169118717.db2.gz NUPUZFDMFXNJQD-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN COc1ccc(F)c(CCCC#N)c1 84931550 1169118901 /nfs/dbraw/zinc/11/89/01/1169118901.db2.gz NLMGPPHNUSJXTN-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN N#CCCCc1cc(F)cc(F)c1 84931549 1169119307 /nfs/dbraw/zinc/11/93/07/1169119307.db2.gz VVTNEAJRXBALSC-UHFFFAOYSA-N 0 0 181.185 2.811 10 30 AFEERN Cc1cccc(CCCC#N)c1F 84931537 1169119322 /nfs/dbraw/zinc/11/93/22/1169119322.db2.gz HNIWJQSMLONZJY-UHFFFAOYSA-N 0 0 177.222 2.980 10 30 AFEERN N#CCCCc1ccc(F)c(F)c1F 84931543 1169119393 /nfs/dbraw/zinc/11/93/93/1169119393.db2.gz OZAWOPAJUXQANI-UHFFFAOYSA-N 0 0 199.175 2.950 10 30 AFEERN COc1cccc(CCCC#N)c1F 84931541 1169119934 /nfs/dbraw/zinc/11/99/34/1169119934.db2.gz MDPUDQFYODMPEZ-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN C#CCCSCC1CCCC1 84698389 1169119976 /nfs/dbraw/zinc/11/99/76/1169119976.db2.gz XUVCHLJECPOACJ-UHFFFAOYSA-N 0 0 168.305 2.933 10 30 AFEERN CN(C)c1ccc(CCCC#N)cc1 84931548 1169120032 /nfs/dbraw/zinc/12/00/32/1169120032.db2.gz AZCBAHOKHVMBPF-UHFFFAOYSA-N 0 0 188.274 2.599 10 30 AFEERN N#CCCCc1cccc(F)c1F 84931539 1169120345 /nfs/dbraw/zinc/12/03/45/1169120345.db2.gz XVGJJOFDNCKONO-UHFFFAOYSA-N 0 0 181.185 2.811 10 30 AFEERN Cc1cccc(CCC#N)c1F 84931302 1169120622 /nfs/dbraw/zinc/12/06/22/1169120622.db2.gz RJKCYOHUVMMONA-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN COc1cccc(F)c1CCCC#N 84931542 1169120741 /nfs/dbraw/zinc/12/07/41/1169120741.db2.gz ULTHZJLKCJCMFN-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN Cc1ccc(F)c(CCCC#N)c1 84931538 1169120977 /nfs/dbraw/zinc/12/09/77/1169120977.db2.gz VDOLSKTUQPSVMQ-UHFFFAOYSA-N 0 0 177.222 2.980 10 30 AFEERN CCc1ccc(C2(C#N)CC2)cc1 84443237 1169121037 /nfs/dbraw/zinc/12/10/37/1169121037.db2.gz MXCNGYKMMIXHIZ-UHFFFAOYSA-N 0 0 171.243 2.804 10 30 AFEERN C=C(C)c1cc(F)cc(F)c1 87283362 1169123879 /nfs/dbraw/zinc/12/38/79/1169123879.db2.gz XYBHZGCSULPMBN-UHFFFAOYSA-N 0 0 154.159 2.998 10 30 AFEERN CC(C)=Cc1ccccc1C#N 90568080 1169125307 /nfs/dbraw/zinc/12/53/07/1169125307.db2.gz LZUCACXYWVPXNH-UHFFFAOYSA-N 0 0 157.216 2.981 10 30 AFEERN CC(C)Oc1c(F)cc(C#N)cc1F 88125191 1169127044 /nfs/dbraw/zinc/12/70/44/1169127044.db2.gz ZNLNDPCVUBZLOC-UHFFFAOYSA-N 0 0 197.184 2.624 10 30 AFEERN C#Cc1ccc(C2CC2)cc1 88189751 1169127178 /nfs/dbraw/zinc/12/71/78/1169127178.db2.gz WREBXCVYHWKUML-UHFFFAOYSA-N 0 0 142.201 2.545 10 30 AFEERN Cc1ccccc1CCCC#N 95629869 1169128511 /nfs/dbraw/zinc/12/85/11/1169128511.db2.gz FYCZTXBQHDRMHH-UHFFFAOYSA-N 0 0 159.232 2.841 10 30 AFEERN C=CCCc1nc2ccccc2[nH]1 95923348 1169130734 /nfs/dbraw/zinc/13/07/34/1169130734.db2.gz UYBOLDUAJROVSQ-UHFFFAOYSA-N 0 0 172.231 2.682 10 30 AFEERN N#CCc1ccc(OC2CCC2)cc1 96029208 1169132063 /nfs/dbraw/zinc/13/20/63/1169132063.db2.gz GCDNDLHETJPRBG-UHFFFAOYSA-N 0 0 187.242 2.684 10 30 AFEERN C=CCc1ccc(F)c(F)c1F 96373577 1169132893 /nfs/dbraw/zinc/13/28/93/1169132893.db2.gz UMOPNOOIBSVADI-UHFFFAOYSA-N 0 0 172.149 2.832 10 30 AFEERN N#CCCc1cc2ccccc2[nH]1 96308191 1169132909 /nfs/dbraw/zinc/13/29/09/1169132909.db2.gz LSBIQRYZMOAVHU-UHFFFAOYSA-N 0 0 170.215 2.624 10 30 AFEERN C#CCON=CC1(C)CCCCCC1 812236767 673914409 /nfs/dbraw/zinc/91/44/09/673914409.db2.gz XSFVCYRGRNKPAV-UHFFFAOYSA-N 0 0 193.290 2.983 10 30 AFEERN C=C[C@@H](C)ON=CC[C@@H](C)CC 844619996 673919553 /nfs/dbraw/zinc/91/95/53/673919553.db2.gz FMBDNCJJJFXBME-VHSXEESVSA-N 0 0 169.268 3.000 10 30 AFEERN CCOc1ccccc1CCCC#N 104528022 1169139488 /nfs/dbraw/zinc/13/94/88/1169139488.db2.gz IEQTUTXCVHVRCR-UHFFFAOYSA-N 0 0 189.258 2.932 10 30 AFEERN Cc1ccc(-c2cccc(C#N)n2)cc1 104461501 1169139464 /nfs/dbraw/zinc/13/94/64/1169139464.db2.gz IBYKSUDQDQMBMZ-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN C=C[C@@H](C)ON=C1CC(OC(C)C)C1 844620017 673919691 /nfs/dbraw/zinc/91/96/91/673919691.db2.gz FYMHRGNLTFTMIL-BFHBGLAWSA-N 0 0 197.278 2.521 10 30 AFEERN Cc1ccccc1-c1cccc(C#N)n1 104461830 1169139616 /nfs/dbraw/zinc/13/96/16/1169139616.db2.gz ODKWOLZUPMXCIU-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN C=C[C@H](C)ON=C1CC(OC(C)C)C1 844620018 673919759 /nfs/dbraw/zinc/91/97/59/673919759.db2.gz FYMHRGNLTFTMIL-FTNKSUMCSA-N 0 0 197.278 2.521 10 30 AFEERN C=C[C@H](C)ON=CC[C@H](C)CC 844619997 673919807 /nfs/dbraw/zinc/91/98/07/673919807.db2.gz FMBDNCJJJFXBME-ZJUUUORDSA-N 0 0 169.268 3.000 10 30 AFEERN Cc1cccc(CCCC#N)c1 104372939 1169140208 /nfs/dbraw/zinc/14/02/08/1169140208.db2.gz CJDPZBARICISLP-UHFFFAOYSA-N 0 0 159.232 2.841 10 30 AFEERN CCCCCCCN(C)[C@H](C)C#N 106323010 1169140848 /nfs/dbraw/zinc/14/08/48/1169140848.db2.gz YEBPKJISXKMVII-LLVKDONJSA-N 0 0 182.311 2.801 10 30 AFEERN CCCCCCCN(C)[C@@H](C)C#N 106323008 1169140986 /nfs/dbraw/zinc/14/09/86/1169140986.db2.gz YEBPKJISXKMVII-NSHDSACASA-N 0 0 182.311 2.801 10 30 AFEERN Cc1ccc(O)c(CCCC#N)c1 107486572 1169142375 /nfs/dbraw/zinc/14/23/75/1169142375.db2.gz LRAVUQCZTCQOPQ-UHFFFAOYSA-N 0 0 175.231 2.547 10 30 AFEERN COc1ccc(CCCC#N)c(C)c1 107610032 1169143304 /nfs/dbraw/zinc/14/33/04/1169143304.db2.gz QVWPRDKZIIJTJU-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN Cc1ccc(CCCC#N)c(F)c1 107509193 1169143550 /nfs/dbraw/zinc/14/35/50/1169143550.db2.gz SQTGBIXLHIUFPA-UHFFFAOYSA-N 0 0 177.222 2.980 10 30 AFEERN Cc1cc(CCCC#N)ccc1O 107487567 1169144636 /nfs/dbraw/zinc/14/46/36/1169144636.db2.gz WSCBUXPADJGIAO-UHFFFAOYSA-N 0 0 175.231 2.547 10 30 AFEERN CC(C)(C)CCON=CC1CC1 308010689 673924960 /nfs/dbraw/zinc/92/49/60/673924960.db2.gz FWFGNONDJLAVBO-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN C=CCCOC(=O)[C@H](C)CCC 308011114 673925218 /nfs/dbraw/zinc/92/52/18/673925218.db2.gz GAVHVMRMKMBGLK-SECBINFHSA-N 0 0 170.252 2.542 10 30 AFEERN C=CCC(=O)c1cccc(F)c1 108907901 1169145764 /nfs/dbraw/zinc/14/57/64/1169145764.db2.gz VRWDHETYVGZRKK-UHFFFAOYSA-N 0 0 164.179 2.585 10 30 AFEERN CCCCCCCN1CCC[C@H]1C#N 113222876 1169147561 /nfs/dbraw/zinc/14/75/61/1169147561.db2.gz ARZZUOYXGXFLCU-LBPRGKRZSA-N 0 0 194.322 2.945 10 30 AFEERN N#Cc1ccc(Nc2ccccc2)cn1 113046864 1169147621 /nfs/dbraw/zinc/14/76/21/1169147621.db2.gz FMAXVPXZZVRKAC-UHFFFAOYSA-N 0 0 195.225 2.697 10 30 AFEERN COc1cc(C#N)ccc1C(C)C 113137675 1169147627 /nfs/dbraw/zinc/14/76/27/1169147627.db2.gz IVCYKZNAKJMYBL-UHFFFAOYSA-N 0 0 175.231 2.690 10 30 AFEERN C=C(C)C(=O)NC(C)(C)CC(C)(C)C 113209519 1169147664 /nfs/dbraw/zinc/14/76/64/1169147664.db2.gz WPFTVIVHDBZTSZ-UHFFFAOYSA-N 0 0 197.322 2.894 10 30 AFEERN CC(C)c1ccc(C#N)c(F)c1 113138163 1169148004 /nfs/dbraw/zinc/14/80/04/1169148004.db2.gz XWMRWQUPWYVUCU-UHFFFAOYSA-N 0 0 163.195 2.821 10 30 AFEERN C1=CC[C@H](C=NOCC2CC2)CC1 308174488 673927651 /nfs/dbraw/zinc/92/76/51/673927651.db2.gz HUUOKAFXLMNRIN-JTQLQIEISA-N 0 0 179.263 2.755 10 30 AFEERN C1=CC[C@@H](C=NOCC2CC2)CC1 308174489 673927671 /nfs/dbraw/zinc/92/76/71/673927671.db2.gz HUUOKAFXLMNRIN-SNVBAGLBSA-N 0 0 179.263 2.755 10 30 AFEERN C=CCCCC(=O)O[C@@H](C)C(C)C 308219568 673928897 /nfs/dbraw/zinc/92/88/97/673928897.db2.gz BPBNQESJAWDTGW-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)C=C1CCCC1 308261476 673929268 /nfs/dbraw/zinc/92/92/68/673929268.db2.gz NNCKIOPQXWLUJX-SECBINFHSA-N 0 0 180.247 2.605 10 30 AFEERN C=CCC(C)(C)C(=O)OC/C=C\C 308354141 673929283 /nfs/dbraw/zinc/92/92/83/673929283.db2.gz ACAOGUIJXIUATP-ALCCZGGFSA-N 0 0 182.263 2.708 10 30 AFEERN C=C[C@H](C)OC(=O)C=C1CCCC1 308261478 673929476 /nfs/dbraw/zinc/92/94/76/673929476.db2.gz NNCKIOPQXWLUJX-VIFPVBQESA-N 0 0 180.247 2.605 10 30 AFEERN C=CCCC(F)(F)F 114262911 1169150227 /nfs/dbraw/zinc/15/02/27/1169150227.db2.gz XBPQVFXJMSJCDB-UHFFFAOYSA-N 0 0 124.105 2.515 10 30 AFEERN CON=C(C)c1cc2c(s1)CCC2 308436959 673930903 /nfs/dbraw/zinc/93/09/03/673930903.db2.gz XBIIGHWHIIGSKZ-UHFFFAOYSA-N 0 0 195.287 2.607 10 30 AFEERN N#Cc1cccc(-c2nccs2)c1 114736414 1169152457 /nfs/dbraw/zinc/15/24/57/1169152457.db2.gz SCHUXPBWLLMJTB-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN C=C(C)c1cnc2[nH]ccc2c1 114716089 1169153819 /nfs/dbraw/zinc/15/38/19/1169153819.db2.gz KELCKSADPTZELD-UHFFFAOYSA-N 0 0 158.204 2.596 10 30 AFEERN C#C[C@H](C)OC(=O)[C@H](CC)CCCC 219205636 673933905 /nfs/dbraw/zinc/93/39/05/673933905.db2.gz YJTQAULYZBVKCS-WDEREUQCSA-N 0 0 196.290 2.768 10 30 AFEERN CCCCCCCn1ccnc1C#N 147653668 673934262 /nfs/dbraw/zinc/93/42/62/673934262.db2.gz UUECHROMTOKCDQ-UHFFFAOYSA-N 0 0 191.278 2.725 10 30 AFEERN C=CCCCC(F)(F)F 115650969 1169155570 /nfs/dbraw/zinc/15/55/70/1169155570.db2.gz ZDXJSOXLVCWEQZ-UHFFFAOYSA-N 0 0 138.132 2.905 10 30 AFEERN CCc1ccccc1CCC#N 115343905 1169155788 /nfs/dbraw/zinc/15/57/88/1169155788.db2.gz JXODXTWIUCRSIL-UHFFFAOYSA-N 0 0 159.232 2.705 10 30 AFEERN C=CC12CCC(C(=O)OC)(CC1)CC2 116368664 1169155990 /nfs/dbraw/zinc/15/59/90/1169155990.db2.gz ZSVVDSZDXNWFNS-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN CC#CCOC(=O)C1(CCCC)CC1 924426268 673936409 /nfs/dbraw/zinc/93/64/09/673936409.db2.gz YTXWQDKQTCHTBG-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#CCCOC(=O)C1(CCCC)CC1 924424439 673936744 /nfs/dbraw/zinc/93/67/44/673936744.db2.gz AZAILKNVHLCIQX-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN CC(C)O[C@H](C#N)c1ccccc1 115483991 1169157157 /nfs/dbraw/zinc/15/71/57/1169157157.db2.gz DBDUQFDQSOFMQS-LLVKDONJSA-N 0 0 175.231 2.676 10 30 AFEERN C=CCc1ccc2[nH]ccc2c1 116322180 1169157201 /nfs/dbraw/zinc/15/72/01/1169157201.db2.gz LNTCQCNUKQCCIT-UHFFFAOYSA-N 0 0 157.216 2.896 10 30 AFEERN CC(C)=Cc1cccc(C#N)c1 116842450 1169158351 /nfs/dbraw/zinc/15/83/51/1169158351.db2.gz FXTAMBZYMKNPMO-UHFFFAOYSA-N 0 0 157.216 2.981 10 30 AFEERN CCCCCCCCN1CCC(=O)C1 116960234 1169158430 /nfs/dbraw/zinc/15/84/30/1169158430.db2.gz FRLNUITWGUIQLV-UHFFFAOYSA-N 0 0 197.322 2.622 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@@H](CC)CCCC 219205865 673938552 /nfs/dbraw/zinc/93/85/52/673938552.db2.gz YJTQAULYZBVKCS-MNOVXSKESA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](C)OC(=O)[C@@H](CC)CCCC 219205716 673938718 /nfs/dbraw/zinc/93/87/18/673938718.db2.gz YJTQAULYZBVKCS-QWRGUYRKSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@H](CC)CCCC 219205794 673938779 /nfs/dbraw/zinc/93/87/79/673938779.db2.gz YJTQAULYZBVKCS-GHMZBOCLSA-N 0 0 196.290 2.768 10 30 AFEERN C=CCc1cc(F)c(F)cc1F 116844766 1169159791 /nfs/dbraw/zinc/15/97/91/1169159791.db2.gz QLCMQJLKFJPPIT-UHFFFAOYSA-N 0 0 172.149 2.832 10 30 AFEERN CCCCCCCOC1CC(=O)C1 117298765 1169159897 /nfs/dbraw/zinc/15/98/97/1169159897.db2.gz QEBINPVVIOUHCR-UHFFFAOYSA-N 0 0 184.279 2.705 10 30 AFEERN C=C[C@H](CC)OC(=O)CCCC 307999613 673943646 /nfs/dbraw/zinc/94/36/46/673943646.db2.gz YNUSRXITOFRDIZ-SECBINFHSA-N 0 0 170.252 2.684 10 30 AFEERN C=C[C@@H](CC)OC(=O)CCCC 307999615 673944022 /nfs/dbraw/zinc/94/40/22/673944022.db2.gz YNUSRXITOFRDIZ-VIFPVBQESA-N 0 0 170.252 2.684 10 30 AFEERN C=CCCOC(=O)[C@@H](C)CC(C)C 308141707 673944437 /nfs/dbraw/zinc/94/44/37/673944437.db2.gz IZCYZSUXHJCIMX-JTQLQIEISA-N 0 0 184.279 2.788 10 30 AFEERN C#CCON=C1CCC[C@H]1CCC 308426730 673945040 /nfs/dbraw/zinc/94/50/40/673945040.db2.gz RPNNDASBAFRPSI-SNVBAGLBSA-N 0 0 179.263 2.592 10 30 AFEERN C=C[C@@H](CC)OC(=O)c1ccsc1 308423188 673945137 /nfs/dbraw/zinc/94/51/37/673945137.db2.gz PLEASVROCMNLQG-VIFPVBQESA-N 0 0 196.271 2.870 10 30 AFEERN CON=C(C)c1cc(C)ccc1F 308426710 673945164 /nfs/dbraw/zinc/94/51/64/673945164.db2.gz RORXHZDBPWJLNF-UHFFFAOYSA-N 0 0 181.210 2.505 10 30 AFEERN CCCCc1ccc(OCC#N)cc1 122805449 1169164932 /nfs/dbraw/zinc/16/49/32/1169164932.db2.gz MZNJKTWVABXQGL-UHFFFAOYSA-N 0 0 189.258 2.932 10 30 AFEERN C=CC1(OC(=O)[C@H]2CCC2(C)C)CC1 893359792 673947145 /nfs/dbraw/zinc/94/71/45/673947145.db2.gz ZDCYVYAWZYTWRV-SECBINFHSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC1(OC(=O)C(F)=C2CCC2)CC1 893359129 673947291 /nfs/dbraw/zinc/94/72/91/673947291.db2.gz SEEDQBNQRIGWSU-UHFFFAOYSA-N 0 0 196.221 2.656 10 30 AFEERN C#CCCCOC(=O)CCC(C)(C)C 739152549 673947532 /nfs/dbraw/zinc/94/75/32/673947532.db2.gz CIWMXVWRKNMRNM-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C=CC1(OC(=O)[C@@H]2CCC2(C)C)CC1 893359793 673947607 /nfs/dbraw/zinc/94/76/07/673947607.db2.gz ZDCYVYAWZYTWRV-VIFPVBQESA-N 0 0 194.274 2.684 10 30 AFEERN C=CCc1cncc(OC(C)C)c1 124658821 1169169193 /nfs/dbraw/zinc/16/91/93/1169169193.db2.gz YGDGNVLPZXMFAQ-UHFFFAOYSA-N 0 0 177.247 2.597 10 30 AFEERN C#Cc1cccc(C2CC2)c1 125079826 1169170517 /nfs/dbraw/zinc/17/05/17/1169170517.db2.gz SGRJWYJVVRURME-UHFFFAOYSA-N 0 0 142.201 2.545 10 30 AFEERN CC(C)Nc1ccc(CCC#N)cc1 261166605 673951806 /nfs/dbraw/zinc/95/18/06/673951806.db2.gz YSQFEXCJEGNOEV-UHFFFAOYSA-N 0 0 188.274 2.963 10 30 AFEERN CCC#CCOC(=O)C1CCCCC1 893834459 673952903 /nfs/dbraw/zinc/95/29/03/673952903.db2.gz CZSGEERNQVRQFJ-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN CCC#CCOC(=O)CCCCC 893834415 673952917 /nfs/dbraw/zinc/95/29/17/673952917.db2.gz BUICAJXDSBJTIY-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN C=CCc1cccc(OC2CC2)c1 125654210 1169173580 /nfs/dbraw/zinc/17/35/80/1169173580.db2.gz TUXAFDWUGPOYMW-UHFFFAOYSA-N 0 0 174.243 2.956 10 30 AFEERN C#CC[C@@H](OC(=O)CC(C)C)C(C)C 747188960 673954325 /nfs/dbraw/zinc/95/43/25/673954325.db2.gz GUHYGEVNCVMQEO-LLVKDONJSA-N 0 0 196.290 2.624 10 30 AFEERN C[C@H](C=NOCCC1CC1)CCC#N 814244805 673954349 /nfs/dbraw/zinc/95/43/49/673954349.db2.gz CVLRSIJDKDFNFO-JTQLQIEISA-N 0 0 194.278 2.729 10 30 AFEERN C[C@@H](C=NOCCC1CC1)CCC#N 814244808 673954390 /nfs/dbraw/zinc/95/43/90/673954390.db2.gz CVLRSIJDKDFNFO-SNVBAGLBSA-N 0 0 194.278 2.729 10 30 AFEERN C#CC[C@@H](OC(=O)C=C(C)C)C(C)C 747195340 673954424 /nfs/dbraw/zinc/95/44/24/673954424.db2.gz DEYPVWPYDIJXNE-LLVKDONJSA-N 0 0 194.274 2.544 10 30 AFEERN CCc1ccc(C=NOCC2CC2)o1 814243966 673954438 /nfs/dbraw/zinc/95/44/38/673954438.db2.gz ABXKFGJSMQRAPP-UHFFFAOYSA-N 0 0 193.246 2.603 10 30 AFEERN CC(C)(C=NOCC1CC1)CCC#N 814243568 673954442 /nfs/dbraw/zinc/95/44/42/673954442.db2.gz CUHMHLAQPNIQOG-UHFFFAOYSA-N 0 0 194.278 2.729 10 30 AFEERN C#CC[C@H](OC(=O)CC(C)C)C(C)C 747188961 673954713 /nfs/dbraw/zinc/95/47/13/673954713.db2.gz GUHYGEVNCVMQEO-NSHDSACASA-N 0 0 196.290 2.624 10 30 AFEERN C#CC[C@H](OC(=O)C=C(C)C)C(C)C 747195342 673954775 /nfs/dbraw/zinc/95/47/75/673954775.db2.gz DEYPVWPYDIJXNE-NSHDSACASA-N 0 0 194.274 2.544 10 30 AFEERN C=CCN(C(=O)OC(C)C)C(C)(C)C 127625439 1169175496 /nfs/dbraw/zinc/17/54/96/1169175496.db2.gz HUKXRZDEPPBPPT-UHFFFAOYSA-N 0 0 199.294 2.818 10 30 AFEERN C=C(C)c1c(F)cccc1OC 126972777 1169176354 /nfs/dbraw/zinc/17/63/54/1169176354.db2.gz PXJDNNLQLYXOPQ-UHFFFAOYSA-N 0 0 166.195 2.867 10 30 AFEERN CON=C(C)c1ccc(Cl)s1 307852976 673957018 /nfs/dbraw/zinc/95/70/18/673957018.db2.gz AZLIJKRGDNKZGC-UHFFFAOYSA-N 0 0 189.667 2.772 10 30 AFEERN N#C[C@@H]1CCCN1C1CCCCCC1 129116058 1169179734 /nfs/dbraw/zinc/17/97/34/1169179734.db2.gz YHMZXWWQKOYXJM-LBPRGKRZSA-N 0 0 192.306 2.697 10 30 AFEERN C=CCC(C)(C)COC(=O)CC1CC1 814004262 673958902 /nfs/dbraw/zinc/95/89/02/673958902.db2.gz JHNQHAVRCJLAGB-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C#CCCCC(C)=NOC/C=C\Cl 863111955 673961436 /nfs/dbraw/zinc/96/14/36/673961436.db2.gz IIMURYHROUPYJG-FFIYZWDUSA-N 0 0 199.681 2.935 10 30 AFEERN C#CCCCC(C)=NOC/C=C/Cl 863111968 673961507 /nfs/dbraw/zinc/96/15/07/673961507.db2.gz IIMURYHROUPYJG-IIXGYHIASA-N 0 0 199.681 2.935 10 30 AFEERN Cc1cc(C#N)ccc1N[C@H]1C[C@@H]1C 52290128 673961552 /nfs/dbraw/zinc/96/15/52/673961552.db2.gz UBGFYWKGZDUVQU-CABZTGNLSA-N 0 0 186.258 2.687 10 30 AFEERN Cc1cc(F)ccc1CCC#N 132284114 1169185082 /nfs/dbraw/zinc/18/50/82/1169185082.db2.gz NZJVKQCAWVDYSO-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN N#Cc1ccccc1NCc1ccoc1 58002893 673967289 /nfs/dbraw/zinc/96/72/89/673967289.db2.gz XJAAWDGBHRKSFX-UHFFFAOYSA-N 0 0 198.225 2.763 10 30 AFEERN CC(C)CON=C1CCCC1 167630316 673967943 /nfs/dbraw/zinc/96/79/43/673967943.db2.gz FTMULAWGSYREKF-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C=C(C)CCOc1cccnc1F 229102270 673971526 /nfs/dbraw/zinc/97/15/26/673971526.db2.gz ODGGUCJWJXNSCC-UHFFFAOYSA-N 0 0 181.210 2.566 10 30 AFEERN C=C(C)Nc1ccc(C)cc1 137363962 1169193737 /nfs/dbraw/zinc/19/37/37/1169193737.db2.gz UEXXQATVHWVKQW-UHFFFAOYSA-N 0 0 147.221 2.941 10 30 AFEERN CON=C(c1ccc(F)cc1)C1CC1 914695314 673973781 /nfs/dbraw/zinc/97/37/81/673973781.db2.gz PAMVENKJVSROKR-UHFFFAOYSA-N 0 0 193.221 2.586 10 30 AFEERN C=CCOC(=O)NCCCCCCC 136290626 1169195251 /nfs/dbraw/zinc/19/52/51/1169195251.db2.gz VMPOKECNLYCJQV-UHFFFAOYSA-N 0 0 199.294 2.869 10 30 AFEERN C=C(C)Nc1ccccc1 136379207 1169195592 /nfs/dbraw/zinc/19/55/92/1169195592.db2.gz ALEGPCQGKQHWJG-UHFFFAOYSA-N 0 0 133.194 2.632 10 30 AFEERN CCC(C)=NOCc1ccccc1 263593166 673975100 /nfs/dbraw/zinc/97/51/00/673975100.db2.gz AYKIAZBZRINNAC-UHFFFAOYSA-N 0 0 177.247 2.989 10 30 AFEERN CC(=O)c1ccc(CCCC#N)cc1 138192307 1169196314 /nfs/dbraw/zinc/19/63/14/1169196314.db2.gz DGHOINAQCXPHMD-UHFFFAOYSA-N 0 0 187.242 2.735 10 30 AFEERN C=C(C)CC(F)(F)F 138379301 1169196391 /nfs/dbraw/zinc/19/63/91/1169196391.db2.gz ZUUPNCDCMMNBIX-UHFFFAOYSA-N 0 0 124.105 2.515 10 30 AFEERN N#CCCc1ccc2cc[nH]c2c1 139399295 1169197174 /nfs/dbraw/zinc/19/71/74/1169197174.db2.gz JTMOWGIXXFQQTK-UHFFFAOYSA-N 0 0 170.215 2.624 10 30 AFEERN N#Cc1ccc(Cc2ccccc2)cn1 138276760 1169197991 /nfs/dbraw/zinc/19/79/91/1169197991.db2.gz ZKONZDRFKYAFKI-UHFFFAOYSA-N 0 0 194.237 2.544 10 30 AFEERN N#Cc1ncccc1Cc1ccccc1 138276394 1169198172 /nfs/dbraw/zinc/19/81/72/1169198172.db2.gz PXKVLPRKFVMJNJ-UHFFFAOYSA-N 0 0 194.237 2.544 10 30 AFEERN C#CCc1ccc(C(C)C)cc1 138510288 1169198238 /nfs/dbraw/zinc/19/82/38/1169198238.db2.gz OAAGGPLBOGDARD-UHFFFAOYSA-N 0 0 158.244 2.986 10 30 AFEERN C#CCCCS[C@H]1COC(C)(C)C1 703048202 673980949 /nfs/dbraw/zinc/98/09/49/673980949.db2.gz MYZNYPFLCIDPSJ-SNVBAGLBSA-N 0 0 198.331 2.701 10 30 AFEERN C#CCCCS[C@@H]1COC(C)(C)C1 703048201 673981294 /nfs/dbraw/zinc/98/12/94/673981294.db2.gz MYZNYPFLCIDPSJ-JTQLQIEISA-N 0 0 198.331 2.701 10 30 AFEERN Cc1ccc(-c2cc(C#N)ccn2)cc1 140118305 1169201934 /nfs/dbraw/zinc/20/19/34/1169201934.db2.gz OVEZPDGOHQXDPA-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CSc1c(C)cccc1C#N 141581475 1169204256 /nfs/dbraw/zinc/20/42/56/1169204256.db2.gz IQCTWSJZVPOGJR-UHFFFAOYSA-N 0 0 163.245 2.589 10 30 AFEERN C=CCN(C)C(=O)OC1CCCCC1 704269960 673984319 /nfs/dbraw/zinc/98/43/19/673984319.db2.gz GQYZPJHSNFUQAC-UHFFFAOYSA-N 0 0 197.278 2.574 10 30 AFEERN C=CCCC(C)(C)CNC(=O)/C=C/C 703934570 673984611 /nfs/dbraw/zinc/98/46/11/673984611.db2.gz PCAJCSFEYVNVAQ-SOFGYWHQSA-N 0 0 195.306 2.671 10 30 AFEERN C=CCCC(C)(C)CNC(=O)/C=C\C 703934571 673984746 /nfs/dbraw/zinc/98/47/46/673984746.db2.gz PCAJCSFEYVNVAQ-VURMDHGXSA-N 0 0 195.306 2.671 10 30 AFEERN Cc1ccc(-c2ccncc2C#N)cc1 142345532 1169206743 /nfs/dbraw/zinc/20/67/43/1169206743.db2.gz HFLFEQVYFMOXTC-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CC1(CN(CC#N)C2CC2)CCCC1 706768776 673987726 /nfs/dbraw/zinc/98/77/26/673987726.db2.gz YTHGZYYICTUJKJ-UHFFFAOYSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@@H](CN(C)CC#N)CC(C)(C)C 709134980 673992867 /nfs/dbraw/zinc/99/28/67/673992867.db2.gz ARJAGUMQPSUVCH-SNVBAGLBSA-N 0 0 182.311 2.514 10 30 AFEERN CCN(CC#N)C[C@H](C)CC(C)(C)C 709141958 673992949 /nfs/dbraw/zinc/99/29/49/673992949.db2.gz NPARULAYEJKOJP-LLVKDONJSA-N 0 0 196.338 2.904 10 30 AFEERN CCN(CC#N)C[C@@H](C)CC(C)(C)C 709141959 673993005 /nfs/dbraw/zinc/99/30/05/673993005.db2.gz NPARULAYEJKOJP-NSHDSACASA-N 0 0 196.338 2.904 10 30 AFEERN C[C@H](CN(C)CC#N)CC(C)(C)C 709134973 673993055 /nfs/dbraw/zinc/99/30/55/673993055.db2.gz ARJAGUMQPSUVCH-JTQLQIEISA-N 0 0 182.311 2.514 10 30 AFEERN C=CCOc1cc(Cl)ccc1C=O 144202286 1169216102 /nfs/dbraw/zinc/21/61/02/1169216102.db2.gz GNIJDZOWCPYOHC-UHFFFAOYSA-N 0 0 196.633 2.717 10 30 AFEERN C=CCc1ccc2c(c1)OC(F)(F)O2 144339317 1169216178 /nfs/dbraw/zinc/21/61/78/1169216178.db2.gz MBSOPCCQMFWZKV-UHFFFAOYSA-N 0 0 198.168 2.737 10 30 AFEERN C=CCCCNc1ccc(N)c(C)c1 143985893 1169219200 /nfs/dbraw/zinc/21/92/00/1169219200.db2.gz ZJVAVHGYLOFMBE-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN CCCNc1cc(C#N)ccc1F 144093896 1169219845 /nfs/dbraw/zinc/21/98/45/1169219845.db2.gz YGGXKDVGKRMQOJ-UHFFFAOYSA-N 0 0 178.210 2.519 10 30 AFEERN C#CCO[C@H]1CCCc2ccccc21 144769932 1169220697 /nfs/dbraw/zinc/22/06/97/1169220697.db2.gz CONZTZUEPXHCHA-ZDUSSCGKSA-N 0 0 186.254 2.714 10 30 AFEERN CCCCCCCCOC(=O)NC 144744942 1169220722 /nfs/dbraw/zinc/22/07/22/1169220722.db2.gz VTWAKOXNHJKFRJ-UHFFFAOYSA-N 0 0 187.283 2.703 10 30 AFEERN C#CCO[C@@H]1CCCc2ccccc21 144769736 1169220756 /nfs/dbraw/zinc/22/07/56/1169220756.db2.gz CONZTZUEPXHCHA-CYBMUJFWSA-N 0 0 186.254 2.714 10 30 AFEERN CC(C)CCCCC(=O)O[C@H](C)C#N 838426101 674006715 /nfs/dbraw/zinc/00/67/15/674006715.db2.gz CAEXACZDIRAPFC-SNVBAGLBSA-N 0 0 197.278 2.658 10 30 AFEERN C=CCOC(=O)CCCCC(C)C 838429657 674006716 /nfs/dbraw/zinc/00/67/16/674006716.db2.gz FOZIESRHSLXIJN-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C=CCOC(=O)C1CC(C(C)(C)C)C1 838411541 674006747 /nfs/dbraw/zinc/00/67/47/674006747.db2.gz BFZROTUQJZOURZ-UHFFFAOYSA-N 0 0 196.290 2.788 10 30 AFEERN CCc1cc(Cl)cc(C#N)c1 144853003 1169222006 /nfs/dbraw/zinc/22/20/06/1169222006.db2.gz PMBSHRGMXXESOZ-UHFFFAOYSA-N 0 0 165.623 2.774 10 30 AFEERN CC(C)CCCCC(=O)O[C@@H](C)C#N 838426099 674006689 /nfs/dbraw/zinc/00/66/89/674006689.db2.gz CAEXACZDIRAPFC-JTQLQIEISA-N 0 0 197.278 2.658 10 30 AFEERN CC#CCOC(=O)CCCCC(C)C 838430113 674006690 /nfs/dbraw/zinc/00/66/90/674006690.db2.gz HVFPBIVTBOVBLQ-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN CC#CCCOC(=O)/C=C\C(C)(C)C 760293099 674007243 /nfs/dbraw/zinc/00/72/43/674007243.db2.gz ZIAQLSZLNZKJCG-HJWRWDBZSA-N 0 0 194.274 2.545 10 30 AFEERN CC#CCCOC(=O)/C=C/C(C)(C)C 760293097 674007294 /nfs/dbraw/zinc/00/72/94/674007294.db2.gz ZIAQLSZLNZKJCG-CMDGGOBGSA-N 0 0 194.274 2.545 10 30 AFEERN C#CC[C@@H](OC(=O)/C(C)=C/C)C(C)C 760994057 674007509 /nfs/dbraw/zinc/00/75/09/674007509.db2.gz MTPPVDUPNGJYFQ-PFEDMVJOSA-N 0 0 194.274 2.544 10 30 AFEERN C#CC[C@H](OC(=O)/C(C)=C\C)C(C)C 760994053 674007516 /nfs/dbraw/zinc/00/75/16/674007516.db2.gz MTPPVDUPNGJYFQ-BRNRAETOSA-N 0 0 194.274 2.544 10 30 AFEERN C#CC[C@H](OC(=O)/C(C)=C/C)C(C)C 760994055 674007530 /nfs/dbraw/zinc/00/75/30/674007530.db2.gz MTPPVDUPNGJYFQ-HUYFXPKMSA-N 0 0 194.274 2.544 10 30 AFEERN C#CC[C@@H](OC(=O)/C(C)=C\C)C(C)C 760994059 674007546 /nfs/dbraw/zinc/00/75/46/674007546.db2.gz MTPPVDUPNGJYFQ-ZJRUKIMVSA-N 0 0 194.274 2.544 10 30 AFEERN CON=C1C[C@H](c2ccccc2)[C@H]1C 767770784 674008164 /nfs/dbraw/zinc/00/81/64/674008164.db2.gz LVXWWMWBIPBKTP-KOLCDFICSA-N 0 0 189.258 2.812 10 30 AFEERN CON=C1C[C@@H](c2ccccc2)[C@H]1C 767770785 674008193 /nfs/dbraw/zinc/00/81/93/674008193.db2.gz LVXWWMWBIPBKTP-MWLCHTKSSA-N 0 0 189.258 2.812 10 30 AFEERN CON=C1C[C@@H](c2ccccc2)[C@@H]1C 767770783 674008230 /nfs/dbraw/zinc/00/82/30/674008230.db2.gz LVXWWMWBIPBKTP-GXSJLCMTSA-N 0 0 189.258 2.812 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OCCC#CC 767707018 674008238 /nfs/dbraw/zinc/00/82/38/674008238.db2.gz OSURAEGFKISHIM-LLVKDONJSA-N 0 0 194.274 2.545 10 30 AFEERN CON=C1C[C@H](c2ccccc2)[C@@H]1C 767770786 674008252 /nfs/dbraw/zinc/00/82/52/674008252.db2.gz LVXWWMWBIPBKTP-ONGXEEELSA-N 0 0 189.258 2.812 10 30 AFEERN C#CCCCOC(=O)[C@@H](C)CC(=C)C 767690950 674008264 /nfs/dbraw/zinc/00/82/64/674008264.db2.gz QUINCAPGSYCALY-NSHDSACASA-N 0 0 194.274 2.545 10 30 AFEERN C#CCCCOC(=O)[C@H](C)CC(=C)C 767690947 674008269 /nfs/dbraw/zinc/00/82/69/674008269.db2.gz QUINCAPGSYCALY-LLVKDONJSA-N 0 0 194.274 2.545 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OCC1CCC1 767706378 674008273 /nfs/dbraw/zinc/00/82/73/674008273.db2.gz SMTUFZAZMFWERV-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OCC1CCC1 767706379 674008279 /nfs/dbraw/zinc/00/82/79/674008279.db2.gz SMTUFZAZMFWERV-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OCCC#CC 767707020 674008298 /nfs/dbraw/zinc/00/82/98/674008298.db2.gz OSURAEGFKISHIM-NSHDSACASA-N 0 0 194.274 2.545 10 30 AFEERN C=C(C)CN(CC)c1cccc(F)n1 770445856 674008889 /nfs/dbraw/zinc/00/88/89/674008889.db2.gz CZGPFRMQIGOVJU-UHFFFAOYSA-N 0 0 194.253 2.623 10 30 AFEERN C=CCCCCCOC(=O)[C@@H]1C[C@H]1C 782029961 674009345 /nfs/dbraw/zinc/00/93/45/674009345.db2.gz AGESKDGRQFJOTB-GHMZBOCLSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCCCCOC(=O)[C@H]1C[C@@H]1C 782029963 674009363 /nfs/dbraw/zinc/00/93/63/674009363.db2.gz AGESKDGRQFJOTB-QWRGUYRKSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCCCCOC(=O)[C@H]1C[C@H]1C 782029962 674009376 /nfs/dbraw/zinc/00/93/76/674009376.db2.gz AGESKDGRQFJOTB-MNOVXSKESA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCCCCOC(=O)[C@@H]1C[C@@H]1C 782029964 674009381 /nfs/dbraw/zinc/00/93/81/674009381.db2.gz AGESKDGRQFJOTB-WDEREUQCSA-N 0 0 196.290 2.932 10 30 AFEERN CC(C)C(C)(C)C(=O)O[C@H](C)CC#N 784510206 674009565 /nfs/dbraw/zinc/00/95/65/674009565.db2.gz IIIDSZLVRYVVTF-SECBINFHSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)C(C)(C)C(=O)O[C@@H](C)CC#N 784510208 674009617 /nfs/dbraw/zinc/00/96/17/674009617.db2.gz IIIDSZLVRYVVTF-VIFPVBQESA-N 0 0 197.278 2.514 10 30 AFEERN C=CCOC(=O)[C@@H]1CCCCC1(C)C 789060222 674010023 /nfs/dbraw/zinc/01/00/23/674010023.db2.gz YHSBYLAACKEWHK-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=CCOC(=O)[C@H]1CCCCC1(C)C 789060236 674010074 /nfs/dbraw/zinc/01/00/74/674010074.db2.gz YHSBYLAACKEWHK-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN CC#CCOC(=O)[C@](C)(CC)CCC 796334696 674010423 /nfs/dbraw/zinc/01/04/23/674010423.db2.gz HJNXUKVQVJPPQP-GFCCVEGCSA-N 0 0 196.290 2.769 10 30 AFEERN C=CCOC(=O)c1ccoc1C(C)C 796393570 674010672 /nfs/dbraw/zinc/01/06/72/674010672.db2.gz DVMOEFJTVGUGJR-UHFFFAOYSA-N 0 0 194.230 2.746 10 30 AFEERN CC#CCOC(=O)[C@@](C)(CC)CCC 796334698 674010676 /nfs/dbraw/zinc/01/06/76/674010676.db2.gz HJNXUKVQVJPPQP-LBPRGKRZSA-N 0 0 196.290 2.769 10 30 AFEERN C=C(C)c1cnc2ccccc2n1 146186269 1169232202 /nfs/dbraw/zinc/23/22/02/1169232202.db2.gz HJFYOQHXBGLHLE-UHFFFAOYSA-N 0 0 170.215 2.663 10 30 AFEERN C=CCCC(=O)OCC1CC(C)(C)C1 802293968 674016900 /nfs/dbraw/zinc/01/69/00/674016900.db2.gz YPJQGGJNDHQCOD-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)CCn1cc(C)nc1CC 715071232 674019348 /nfs/dbraw/zinc/01/93/48/674019348.db2.gz AJPRWVAYNNDVAS-UHFFFAOYSA-N 0 0 178.279 2.720 10 30 AFEERN C#CCCCCCn1cc(C)nc1C 715091043 674020428 /nfs/dbraw/zinc/02/04/28/674020428.db2.gz JFZAUOULCUCHIN-UHFFFAOYSA-N 0 0 190.290 2.694 10 30 AFEERN C=C(C)c1cc(F)ccc1C(=O)OC 147839649 1169242235 /nfs/dbraw/zinc/24/22/35/1169242235.db2.gz WWYOUTMTPNHZKY-UHFFFAOYSA-N 0 0 194.205 2.645 10 30 AFEERN C=CCc1ccc2c(c1)OCCCO2 148288022 1169244191 /nfs/dbraw/zinc/24/41/91/1169244191.db2.gz JZMYWWNNZKRQFH-UHFFFAOYSA-N 0 0 190.242 2.576 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H]1C[C@H]1CCC 813080361 674028268 /nfs/dbraw/zinc/02/82/68/674028268.db2.gz GGBVAJOXMOPWJA-OUAUKWLOSA-N 0 0 196.290 2.930 10 30 AFEERN Cc1sccc1CCC#N 148752841 1169245629 /nfs/dbraw/zinc/24/56/29/1169245629.db2.gz NJKWNXOBERWPFM-UHFFFAOYSA-N 0 0 151.234 2.513 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1C[C@H]1CCC 813080359 674028224 /nfs/dbraw/zinc/02/82/24/674028224.db2.gz GGBVAJOXMOPWJA-GMTAPVOTSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCc1cc(C)c(N)c(C)c1 148959251 1169248114 /nfs/dbraw/zinc/24/81/14/1169248114.db2.gz IOBITIBQORJHPT-UHFFFAOYSA-N 0 0 161.248 2.614 10 30 AFEERN C=C[C@H](C)OC(=O)C(C)(C)C1CCC1 835327517 674034002 /nfs/dbraw/zinc/03/40/02/674034002.db2.gz DKDNRZOSUAHSAT-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN C#C[C@@H](CC)OC(=O)CCCC(C)C 835311750 674034018 /nfs/dbraw/zinc/03/40/18/674034018.db2.gz VDTDHRGVLQGRJL-NSHDSACASA-N 0 0 196.290 2.768 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1C[C@H]1CC 835297903 674034066 /nfs/dbraw/zinc/03/40/66/674034066.db2.gz IBURLJLWSSMRDG-OPRDCNLKSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1C[C@H]1CC 835297902 674034106 /nfs/dbraw/zinc/03/41/06/674034106.db2.gz IBURLJLWSSMRDG-IVZWLZJFSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)c1ccsc1C 835327966 674034112 /nfs/dbraw/zinc/03/41/12/674034112.db2.gz IFADNHLKWVOUTO-ZETCQYMHSA-N 0 0 196.271 2.788 10 30 AFEERN C#C[C@H](CC)OC(=O)CCCC(C)C 835311749 674034137 /nfs/dbraw/zinc/03/41/37/674034137.db2.gz VDTDHRGVLQGRJL-LLVKDONJSA-N 0 0 196.290 2.768 10 30 AFEERN C=C[C@@H](C)OC(=O)C(C)(C)C1CCC1 835327515 674034179 /nfs/dbraw/zinc/03/41/79/674034179.db2.gz DKDNRZOSUAHSAT-SECBINFHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)c1ccsc1C 835327965 674034214 /nfs/dbraw/zinc/03/42/14/674034214.db2.gz IFADNHLKWVOUTO-SSDOTTSWSA-N 0 0 196.271 2.788 10 30 AFEERN C=CCc1ccc(OC)cc1F 149909221 1169252640 /nfs/dbraw/zinc/25/26/40/1169252640.db2.gz DMCYUWODALDASY-UHFFFAOYSA-N 0 0 166.195 2.563 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850946533 674037243 /nfs/dbraw/zinc/03/72/43/674037243.db2.gz VXNBBFLMPAJGJT-UKKRHICBSA-N 0 0 194.274 2.540 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H]1CCC1(C)C 850945983 674037254 /nfs/dbraw/zinc/03/72/54/674037254.db2.gz MKEGETXYOZJQAG-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@H]1CCC1(C)C 850945981 674037264 /nfs/dbraw/zinc/03/72/64/674037264.db2.gz MKEGETXYOZJQAG-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1CCC1(C)C 850945982 674037274 /nfs/dbraw/zinc/03/72/74/674037274.db2.gz MKEGETXYOZJQAG-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1CCC1(C)C 850945984 674037276 /nfs/dbraw/zinc/03/72/76/674037276.db2.gz MKEGETXYOZJQAG-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850946534 674037281 /nfs/dbraw/zinc/03/72/81/674037281.db2.gz VXNBBFLMPAJGJT-ZNSHCXBVSA-N 0 0 194.274 2.540 10 30 AFEERN C1CCC(NN=C2CCCC23CC3)C1 853302018 674037706 /nfs/dbraw/zinc/03/77/06/674037706.db2.gz URHWKWIQECTKHL-UHFFFAOYSA-N 0 0 192.306 2.839 10 30 AFEERN CCCCCCCn1cccn1 111223489 674037878 /nfs/dbraw/zinc/03/78/78/674037878.db2.gz AAWKWRISYNYDQK-UHFFFAOYSA-N 0 0 166.268 2.854 10 30 AFEERN C=CCCCCCNC(=O)OCCC 859211539 674040216 /nfs/dbraw/zinc/04/02/16/674040216.db2.gz USZDIZDJKJYPBM-UHFFFAOYSA-N 0 0 199.294 2.869 10 30 AFEERN N#CCCc1cccc(F)c1Cl 159911346 1169260229 /nfs/dbraw/zinc/26/02/29/1169260229.db2.gz AYZZNLGGCZJSKI-UHFFFAOYSA-N 0 0 183.613 2.935 10 30 AFEERN C(=NOCCC1CC1)[C@@H]1CC12CC2 863115270 674041506 /nfs/dbraw/zinc/04/15/06/674041506.db2.gz IXQSOOGYVULLKX-JTQLQIEISA-N 0 0 179.263 2.589 10 30 AFEERN C#CCCCC(C)=NOCCC1CC1 863115234 674041515 /nfs/dbraw/zinc/04/15/15/674041515.db2.gz HUFBTKZELQKXSF-UHFFFAOYSA-N 0 0 193.290 2.983 10 30 AFEERN C(=NOCCC1CC1)[C@H]1CC12CC2 863115271 674041538 /nfs/dbraw/zinc/04/15/38/674041538.db2.gz IXQSOOGYVULLKX-SNVBAGLBSA-N 0 0 179.263 2.589 10 30 AFEERN CC(=NOC1CCC1)[C@@H]1CCCCO1 863115124 674041557 /nfs/dbraw/zinc/04/15/57/674041557.db2.gz ZJNXYCUQICNCDV-NSHDSACASA-N 0 0 197.278 2.501 10 30 AFEERN C#CCCCC(C)=NOCC1CC1 863115461 674041560 /nfs/dbraw/zinc/04/15/60/674041560.db2.gz PRNBFRNHWJIGSJ-UHFFFAOYSA-N 0 0 179.263 2.592 10 30 AFEERN C#CCCCC(C)=NOC1CCC1 863114835 674041585 /nfs/dbraw/zinc/04/15/85/674041585.db2.gz VIIIUIZKQDXWNV-UHFFFAOYSA-N 0 0 179.263 2.735 10 30 AFEERN CC[C@@H](C)CON=C[C@H]1CC12CC2 863114271 674041596 /nfs/dbraw/zinc/04/15/96/674041596.db2.gz FZSZMZYKZDQPJB-NXEZZACHSA-N 0 0 181.279 2.835 10 30 AFEERN CC(=NOC1CCC1)[C@H]1CCCCO1 863115123 674041601 /nfs/dbraw/zinc/04/16/01/674041601.db2.gz ZJNXYCUQICNCDV-LLVKDONJSA-N 0 0 197.278 2.501 10 30 AFEERN C=CC[C@H](C)N(CC(C)(C)C)OC 878608925 674043611 /nfs/dbraw/zinc/04/36/11/674043611.db2.gz ICWVRYZQYIUDRS-JTQLQIEISA-N 0 0 185.311 2.861 10 30 AFEERN C=CC[C@@H](C)N(CC(C)(C)C)OC 878608926 674043945 /nfs/dbraw/zinc/04/39/45/674043945.db2.gz ICWVRYZQYIUDRS-SNVBAGLBSA-N 0 0 185.311 2.861 10 30 AFEERN C#CCCCNc1cccc(OC)c1 163053321 1169267032 /nfs/dbraw/zinc/26/70/32/1169267032.db2.gz RRSZYHGXQFOXNE-UHFFFAOYSA-N 0 0 189.258 2.521 10 30 AFEERN CC1(C)CCC(OCCC#N)CC1 163215719 1169267888 /nfs/dbraw/zinc/26/78/88/1169267888.db2.gz FAWMGLJAXRUEJX-UHFFFAOYSA-N 0 0 181.279 2.885 10 30 AFEERN N#Cc1cc(-c2ccccn2)ccc1F 165421593 1169274087 /nfs/dbraw/zinc/27/40/87/1169274087.db2.gz VNHAALBEEQRUEB-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C=C[C@H](CC)CC(=O)N(C)C1CCC1 933613524 674055862 /nfs/dbraw/zinc/05/58/62/674055862.db2.gz AWMLEQOGTNJKMQ-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN C=C[C@@H](CC)CC(=O)N(C)C1CCC1 933613523 674055877 /nfs/dbraw/zinc/05/58/77/674055877.db2.gz AWMLEQOGTNJKMQ-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN N#CCCc1ccccc1OC(F)F 166887182 1169277881 /nfs/dbraw/zinc/27/78/81/1169277881.db2.gz KLWQTDMLDAWLBW-UHFFFAOYSA-N 0 0 197.184 2.744 10 30 AFEERN C=C(C)CNc1cc(OC)ccc1F 87287158 674059020 /nfs/dbraw/zinc/05/90/20/674059020.db2.gz CYBCMLPRATXLHP-UHFFFAOYSA-N 0 0 195.237 2.822 10 30 AFEERN C#C[C@H](C)Nc1nccc2ccccc12 166905861 1169278838 /nfs/dbraw/zinc/27/88/38/1169278838.db2.gz NUPOOUFUVSSYTH-JTQLQIEISA-N 0 0 196.253 2.668 10 30 AFEERN CCCN(C)c1ccc(C#N)cc1C 37732909 674061051 /nfs/dbraw/zinc/06/10/51/674061051.db2.gz DTTXJYFGHVBPJU-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN CC(C)C(C)(C)CSCC#N 718810617 674062952 /nfs/dbraw/zinc/06/29/52/674062952.db2.gz FDSIFBUQEJQXFZ-UHFFFAOYSA-N 0 0 171.309 2.925 10 30 AFEERN C=C(C)CCC(F)(F)F 167306447 1169282118 /nfs/dbraw/zinc/28/21/18/1169282118.db2.gz ZDKUPLORQMIZOB-UHFFFAOYSA-N 0 0 138.132 2.905 10 30 AFEERN C#Cc1cccc(CC(C)C)c1 167564026 1169285708 /nfs/dbraw/zinc/28/57/08/1169285708.db2.gz UZLHANCWTKJQDL-UHFFFAOYSA-N 0 0 158.244 2.866 10 30 AFEERN C#Cc1cccc(CCC)c1 167563897 1169285960 /nfs/dbraw/zinc/28/59/60/1169285960.db2.gz ICPVQEBZUMWIDS-UHFFFAOYSA-N 0 0 144.217 2.620 10 30 AFEERN N#Cc1cnccc1-c1ccc(F)cc1 168452046 1169291909 /nfs/dbraw/zinc/29/19/09/1169291909.db2.gz ZPDVOJVKZUSZPT-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN Cc1ncc(CON=C2CCC2)s1 306359765 674073089 /nfs/dbraw/zinc/07/30/89/674073089.db2.gz CGPPJOVGVGMPPP-UHFFFAOYSA-N 0 0 196.275 2.508 10 30 AFEERN CCCCCCCNc1nncs1 196060167 1169295010 /nfs/dbraw/zinc/29/50/10/1169295010.db2.gz NMGDTGAGLIJBPG-UHFFFAOYSA-N 0 0 199.323 2.920 10 30 AFEERN C=C(C)c1c(OC)cccc1OC 196413562 1169295366 /nfs/dbraw/zinc/29/53/66/1169295366.db2.gz RNHBWJISOJUDJU-UHFFFAOYSA-N 0 0 178.231 2.737 10 30 AFEERN C=C(C)Cc1ccsc1 196858609 1169296270 /nfs/dbraw/zinc/29/62/70/1169296270.db2.gz CEOQRZJYPOKSBY-UHFFFAOYSA-N 0 0 138.235 2.867 10 30 AFEERN C=CCN(CC=C)C(=O)/C(C)=C/CC 15785108 674078668 /nfs/dbraw/zinc/07/86/68/674078668.db2.gz DAOGDXIUDVBTOM-DHZHZOJOSA-N 0 0 193.290 2.543 10 30 AFEERN C=CC(C)(C)NC(=O)CCCCC 199459697 1169298228 /nfs/dbraw/zinc/29/82/28/1169298228.db2.gz XVOKCJPQIZAIBS-UHFFFAOYSA-N 0 0 183.295 2.648 10 30 AFEERN C=C(C)C(=O)NC1(CC)CCCCC1 200728309 1169300564 /nfs/dbraw/zinc/30/05/64/1169300564.db2.gz OAVXVAJCNNSTDG-UHFFFAOYSA-N 0 0 195.306 2.792 10 30 AFEERN C=CCOC(=O)Nc1ccccc1F 200746519 1169302989 /nfs/dbraw/zinc/30/29/89/1169302989.db2.gz MLFMOSGYXVTTHU-UHFFFAOYSA-N 0 0 195.193 2.560 10 30 AFEERN COc1cccc(C(C)C)c1C#N 201046135 1169303198 /nfs/dbraw/zinc/30/31/98/1169303198.db2.gz XSRMKJJDYUILFV-UHFFFAOYSA-N 0 0 175.231 2.690 10 30 AFEERN C=C(C)c1ccc(C)c(C)n1 202264820 1169305375 /nfs/dbraw/zinc/30/53/75/1169305375.db2.gz INVLXZQIGZNPND-UHFFFAOYSA-N 0 0 147.221 2.732 10 30 AFEERN C=CCc1cc(C)cc(OC)c1 201938091 1169305949 /nfs/dbraw/zinc/30/59/49/1169305949.db2.gz GNQOLFDFEQKAKP-UHFFFAOYSA-N 0 0 162.232 2.732 10 30 AFEERN C=CCc1cccc2ccncc12 204062973 1169311376 /nfs/dbraw/zinc/31/13/76/1169311376.db2.gz FMSTYTXEIVDPBP-UHFFFAOYSA-N 0 0 169.227 2.963 10 30 AFEERN CCCc1ccc(F)c(C#N)c1 203937549 1169311865 /nfs/dbraw/zinc/31/18/65/1169311865.db2.gz GGPDIWSUZGUXEI-UHFFFAOYSA-N 0 0 163.195 2.650 10 30 AFEERN C=CCc1cscc1C 204142243 1169312794 /nfs/dbraw/zinc/31/27/94/1169312794.db2.gz RBLSFSBXYSCZOO-UHFFFAOYSA-N 0 0 138.235 2.785 10 30 AFEERN C=C(C)c1ccc(C)nc1C 205177160 1169318576 /nfs/dbraw/zinc/31/85/76/1169318576.db2.gz LGZJRKNRXBQDIR-UHFFFAOYSA-N 0 0 147.221 2.732 10 30 AFEERN C=C(C)C(=O)NCCC1=CCCCC1 207427324 1169322188 /nfs/dbraw/zinc/32/21/88/1169322188.db2.gz MIUFHHHMGKXFEW-UHFFFAOYSA-N 0 0 193.290 2.569 10 30 AFEERN C=CCN(CC=C)C(=O)/C(C)=C\CC 206831416 1169323035 /nfs/dbraw/zinc/32/30/35/1169323035.db2.gz DAOGDXIUDVBTOM-FLIBITNWSA-N 0 0 193.290 2.543 10 30 AFEERN C#C[C@H](C)Oc1cccc2ncccc12 208145716 1169324185 /nfs/dbraw/zinc/32/41/85/1169324185.db2.gz DUOOMMMQCIMZKU-JTQLQIEISA-N 0 0 197.237 2.635 10 30 AFEERN CC[C@@H](C)NC1=CC(=O)CC(C)(C)C1 217351888 1169337106 /nfs/dbraw/zinc/33/71/06/1169337106.db2.gz LRQNFKSABGTJTC-SECBINFHSA-N 0 0 195.306 2.648 10 30 AFEERN CC[C@H](C)NC1=CC(=O)CC(C)(C)C1 217351975 1169337245 /nfs/dbraw/zinc/33/72/45/1169337245.db2.gz LRQNFKSABGTJTC-VIFPVBQESA-N 0 0 195.306 2.648 10 30 AFEERN N#Cc1ccccc1CC1CC1 216841517 1169337256 /nfs/dbraw/zinc/33/72/56/1169337256.db2.gz WYKLTMPWHFIQFK-UHFFFAOYSA-N 0 0 157.216 2.511 10 30 AFEERN C=CCc1ccc(C(F)(F)F)nc1 217726399 1169338782 /nfs/dbraw/zinc/33/87/82/1169338782.db2.gz YBCIRUBVLURRDV-UHFFFAOYSA-N 0 0 187.164 2.829 10 30 AFEERN C#C[C@@H](CC)Oc1ccccc1F 218049566 1169339460 /nfs/dbraw/zinc/33/94/60/1169339460.db2.gz MUHRHZNEKYWPFG-VIFPVBQESA-N 0 0 178.206 2.616 10 30 AFEERN C#C[C@H](CC)Oc1ccccc1F 218049491 1169339606 /nfs/dbraw/zinc/33/96/06/1169339606.db2.gz MUHRHZNEKYWPFG-SECBINFHSA-N 0 0 178.206 2.616 10 30 AFEERN N#Cc1cccc(-c2ccoc2)c1 218775737 1169343450 /nfs/dbraw/zinc/34/34/50/1169343450.db2.gz QHVCLLGXNARPJS-UHFFFAOYSA-N 0 0 169.183 2.818 10 30 AFEERN C=C(C)COc1ccc(C=O)c(F)c1 218901926 1169344219 /nfs/dbraw/zinc/34/42/19/1169344219.db2.gz XZSRYYCSSAVPTP-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN Cc1cccc(-c2ccncc2C#N)c1 219444002 1169347032 /nfs/dbraw/zinc/34/70/32/1169347032.db2.gz KBHVRUHHFQJQCL-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN Cc1cccc(-c2ccnc(C#N)c2)c1 219444092 1169347704 /nfs/dbraw/zinc/34/77/04/1169347704.db2.gz FSPJPXLVJMXAGK-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN Cc1ccccc1-c1ccncc1C#N 219443894 1169348126 /nfs/dbraw/zinc/34/81/26/1169348126.db2.gz ILCWFOMAMAGLLL-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN Cc1ccc(C#N)c(-c2ccccc2)n1 220758972 1169349986 /nfs/dbraw/zinc/34/99/86/1169349986.db2.gz YNHCMOUAJHBHIO-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 221393356 1169352762 /nfs/dbraw/zinc/35/27/62/1169352762.db2.gz MXGRFGHTQUZAOM-WRWGMCAJSA-N 0 0 194.322 2.703 10 30 AFEERN N#CCCCCc1ccccc1N 222556402 1169358134 /nfs/dbraw/zinc/35/81/34/1169358134.db2.gz ZTUIOAICSLNRGZ-UHFFFAOYSA-N 0 0 174.247 2.505 10 30 AFEERN N#Cc1cnccc1-c1ccsc1 222005666 1169358691 /nfs/dbraw/zinc/35/86/91/1169358691.db2.gz WDEPYZBOPPNFJK-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN C=CCc1cnccc1C(F)(F)F 225456375 1169369324 /nfs/dbraw/zinc/36/93/24/1169369324.db2.gz DKHGZRDKJKWXIC-UHFFFAOYSA-N 0 0 187.164 2.829 10 30 AFEERN CCc1cccc(CCC#N)c1 225698913 1169371376 /nfs/dbraw/zinc/37/13/76/1169371376.db2.gz NFQMQGIEWFTEJX-UHFFFAOYSA-N 0 0 159.232 2.705 10 30 AFEERN CCCC[C@H](CCC)N[C@H](C)C#N 226038821 1169374414 /nfs/dbraw/zinc/37/44/14/1169374414.db2.gz CVFMXXCPOFEELA-MNOVXSKESA-N 0 0 182.311 2.847 10 30 AFEERN CCCC[C@@H](CCC)N[C@H](C)C#N 226038811 1169375262 /nfs/dbraw/zinc/37/52/62/1169375262.db2.gz CVFMXXCPOFEELA-GHMZBOCLSA-N 0 0 182.311 2.847 10 30 AFEERN CCCC[C@H](CCC)N[C@@H](C)C#N 226038799 1169375881 /nfs/dbraw/zinc/37/58/81/1169375881.db2.gz CVFMXXCPOFEELA-QWRGUYRKSA-N 0 0 182.311 2.847 10 30 AFEERN CCCC[C@@H](CCC)N[C@@H](C)C#N 226038793 1169376286 /nfs/dbraw/zinc/37/62/86/1169376286.db2.gz CVFMXXCPOFEELA-WDEREUQCSA-N 0 0 182.311 2.847 10 30 AFEERN CC[C@@H](CC#N)[NH2+]C1(CC)CCC1 229488528 1169389632 /nfs/dbraw/zinc/38/96/32/1169389632.db2.gz JPMWTYAIFLDPKH-JTQLQIEISA-N 0 0 180.295 2.601 10 30 AFEERN CC[C@H](CC#N)[NH2+]C1(CC)CCC1 229488538 1169389770 /nfs/dbraw/zinc/38/97/70/1169389770.db2.gz JPMWTYAIFLDPKH-SNVBAGLBSA-N 0 0 180.295 2.601 10 30 AFEERN C=CCCCCCN(C)[C@H](C)C#N 230078995 1169394703 /nfs/dbraw/zinc/39/47/03/1169394703.db2.gz GRXVOBYENQSYRI-LLVKDONJSA-N 0 0 180.295 2.577 10 30 AFEERN C=CCCCCCN(C)[C@@H](C)C#N 230078989 1169396322 /nfs/dbraw/zinc/39/63/22/1169396322.db2.gz GRXVOBYENQSYRI-NSHDSACASA-N 0 0 180.295 2.577 10 30 AFEERN CCC[C@@H](C)Oc1cccc(C#N)n1 230443295 1169397774 /nfs/dbraw/zinc/39/77/74/1169397774.db2.gz QUDGDHINPWQLTJ-SECBINFHSA-N 0 0 190.246 2.521 10 30 AFEERN CCC[C@H](C)Oc1cccc(C#N)n1 230443301 1169397926 /nfs/dbraw/zinc/39/79/26/1169397926.db2.gz QUDGDHINPWQLTJ-VIFPVBQESA-N 0 0 190.246 2.521 10 30 AFEERN CCC[C@H](C)Oc1ncccc1C#N 230443357 1169398450 /nfs/dbraw/zinc/39/84/50/1169398450.db2.gz HUCLSMFXXRHFDN-VIFPVBQESA-N 0 0 190.246 2.521 10 30 AFEERN CCC[C@H](C)OCCCCC#N 230445663 1169398698 /nfs/dbraw/zinc/39/86/98/1169398698.db2.gz PCUSIPKRGJPXQG-JTQLQIEISA-N 0 0 169.268 2.885 10 30 AFEERN CCC[C@H](C)Oc1cccnc1C#N 230444006 1169399641 /nfs/dbraw/zinc/39/96/41/1169399641.db2.gz SSKZSBWWQKOWRN-VIFPVBQESA-N 0 0 190.246 2.521 10 30 AFEERN CCC[C@@H](C)OCCCCC#N 230445650 1169399717 /nfs/dbraw/zinc/39/97/17/1169399717.db2.gz PCUSIPKRGJPXQG-SNVBAGLBSA-N 0 0 169.268 2.885 10 30 AFEERN CCC[C@H](C)Oc1ccc(C#N)nc1 230443381 1169400228 /nfs/dbraw/zinc/40/02/28/1169400228.db2.gz FINORESKYUEBNC-VIFPVBQESA-N 0 0 190.246 2.521 10 30 AFEERN CCC[C@@H](C)Oc1cccnc1C#N 230443996 1169400323 /nfs/dbraw/zinc/40/03/23/1169400323.db2.gz SSKZSBWWQKOWRN-SECBINFHSA-N 0 0 190.246 2.521 10 30 AFEERN CCC[C@@H](C)Oc1ncccc1C#N 230443350 1169400476 /nfs/dbraw/zinc/40/04/76/1169400476.db2.gz HUCLSMFXXRHFDN-SECBINFHSA-N 0 0 190.246 2.521 10 30 AFEERN CCC[C@@H](C)Oc1ccc(C#N)nc1 230443371 1169400622 /nfs/dbraw/zinc/40/06/22/1169400622.db2.gz FINORESKYUEBNC-SECBINFHSA-N 0 0 190.246 2.521 10 30 AFEERN C=C[C@@H](C)Oc1cc(C#N)ccc1C 232335402 1169405245 /nfs/dbraw/zinc/40/52/45/1169405245.db2.gz FQAADLULELLCFW-SNVBAGLBSA-N 0 0 187.242 2.820 10 30 AFEERN C=C[C@H](C)Oc1cc(C#N)ccc1C 232335403 1169405741 /nfs/dbraw/zinc/40/57/41/1169405741.db2.gz FQAADLULELLCFW-JTQLQIEISA-N 0 0 187.242 2.820 10 30 AFEERN C=C[C@H](C)Oc1cc(C)cc(O)c1 232397679 1169407976 /nfs/dbraw/zinc/40/79/76/1169407976.db2.gz IBAJWWFNQVPTHV-VIFPVBQESA-N 0 0 178.231 2.654 10 30 AFEERN C=C[C@@H](C)Oc1cc(C)cc(O)c1 232397677 1169408009 /nfs/dbraw/zinc/40/80/09/1169408009.db2.gz IBAJWWFNQVPTHV-SECBINFHSA-N 0 0 178.231 2.654 10 30 AFEERN C=C(C)c1ccc2c(c1)NCC2 238161109 1169417816 /nfs/dbraw/zinc/41/78/16/1169417816.db2.gz BUNHYXXLPCVENG-UHFFFAOYSA-N 0 0 159.232 2.688 10 30 AFEERN C=C(C)c1ccc2c(c1)CCN2 238161153 1169417787 /nfs/dbraw/zinc/41/77/87/1169417787.db2.gz YVYUGFWIUUEUCP-UHFFFAOYSA-N 0 0 159.232 2.688 10 30 AFEERN C=C(C)c1ccc(NC(C)=O)c(C)c1 238079851 1169418703 /nfs/dbraw/zinc/41/87/03/1169418703.db2.gz VSHRQBHDAQDHNB-UHFFFAOYSA-N 0 0 189.258 2.987 10 30 AFEERN C#Cc1cccc(-c2cccnc2)c1 238008667 1169419365 /nfs/dbraw/zinc/41/93/65/1169419365.db2.gz BFXGTDPXPCQWDL-UHFFFAOYSA-N 0 0 179.222 2.730 10 30 AFEERN N#Cc1ccc(F)c(OC2CCC2)c1 238623423 1169422075 /nfs/dbraw/zinc/42/20/75/1169422075.db2.gz ATFASGIFCIWECA-UHFFFAOYSA-N 0 0 191.205 2.629 10 30 AFEERN C=CCc1ccc(Cl)cc1N 238673724 1169422138 /nfs/dbraw/zinc/42/21/38/1169422138.db2.gz RGFLVHFOWPUKSM-UHFFFAOYSA-N 0 0 167.639 2.651 10 30 AFEERN N#CCCCCc1cccc(O)c1 238724118 1169422735 /nfs/dbraw/zinc/42/27/35/1169422735.db2.gz WCXVPRSUNQEEDL-UHFFFAOYSA-N 0 0 175.231 2.629 10 30 AFEERN N#Cc1ccc(OC2CCC2)cc1F 238640084 1169422869 /nfs/dbraw/zinc/42/28/69/1169422869.db2.gz WWOBZZRIWZFNRB-UHFFFAOYSA-N 0 0 191.205 2.629 10 30 AFEERN C[C@@H](C#N)N(C)[C@H]1CC[C@@H](C)[C@H](C)C1 251532849 1169428990 /nfs/dbraw/zinc/42/89/90/1169428990.db2.gz AJOXWTQMWWSCJF-WYUUTHIRSA-N 0 0 194.322 2.655 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CC[C@H](C)[C@@H](C)C1 251221204 1169429430 /nfs/dbraw/zinc/42/94/30/1169429430.db2.gz MXGRFGHTQUZAOM-NNYUYHANSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@H]1C[C@@H](N(C)[C@H](C)C#N)CC[C@H]1C 251532831 1169429514 /nfs/dbraw/zinc/42/95/14/1169429514.db2.gz AJOXWTQMWWSCJF-KXNHARMFSA-N 0 0 194.322 2.655 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CC[C@@H](C)[C@H](C)C1 251221203 1169429526 /nfs/dbraw/zinc/42/95/26/1169429526.db2.gz MXGRFGHTQUZAOM-DDHJBXDOSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H]1CC[C@H](N(C)[C@H](C)C#N)C[C@H]1C 251532812 1169429597 /nfs/dbraw/zinc/42/95/97/1169429597.db2.gz AJOXWTQMWWSCJF-KKOKHZNYSA-N 0 0 194.322 2.655 10 30 AFEERN CCC[C@H](C)CN1CCCC[C@H]1C#N 251329035 1169429664 /nfs/dbraw/zinc/42/96/64/1169429664.db2.gz NBTUQYPVVGPCRF-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@@H](C)CN1CCCC[C@H]1C#N 251329031 1169429691 /nfs/dbraw/zinc/42/96/91/1169429691.db2.gz NBTUQYPVVGPCRF-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN C[C@@H]1CCC[C@@H](N2CCC[C@H]2C#N)C1 251875592 1169430367 /nfs/dbraw/zinc/43/03/67/1169430367.db2.gz QUYKJXRQOGRRBB-UTUOFQBUSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@@H]1CC[C@@H](OCCC#N)C[C@H]1C 251745209 1169430803 /nfs/dbraw/zinc/43/08/03/1169430803.db2.gz JMKCJXQCZJSEHC-GMTAPVOTSA-N 0 0 181.279 2.741 10 30 AFEERN C[C@@H]1CCC[C@H](N2CCC[C@H]2C#N)C1 251875594 1169431839 /nfs/dbraw/zinc/43/18/39/1169431839.db2.gz QUYKJXRQOGRRBB-WOPDTQHZSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@@H]1CC[C@H](OCCC#N)C[C@H]1C 251745211 1169432382 /nfs/dbraw/zinc/43/23/82/1169432382.db2.gz JMKCJXQCZJSEHC-MXWKQRLJSA-N 0 0 181.279 2.741 10 30 AFEERN C=C[C@H](CC)OC(=O)c1ccccc1 256631145 1169438168 /nfs/dbraw/zinc/43/81/68/1169438168.db2.gz ZFZSSYBIQDLZJX-LLVKDONJSA-N 0 0 190.242 2.808 10 30 AFEERN CC(C)CCc1ccnc(C#N)c1 259568286 1169439663 /nfs/dbraw/zinc/43/96/63/1169439663.db2.gz CYLDXQWDZODBFG-UHFFFAOYSA-N 0 0 174.247 2.542 10 30 AFEERN N#Cc1cccc(-c2ccsc2)n1 259643087 1169440323 /nfs/dbraw/zinc/44/03/23/1169440323.db2.gz IQLMFSLDLOVDME-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN N#CCCc1cc2cc(F)ccc2[nH]1 259662105 1169440761 /nfs/dbraw/zinc/44/07/61/1169440761.db2.gz KKICTJPWCXPSQI-UHFFFAOYSA-N 0 0 188.205 2.763 10 30 AFEERN N#Cc1ccc(Nc2ccco2)cc1 259678447 1169441081 /nfs/dbraw/zinc/44/10/81/1169441081.db2.gz BDWHJOBSVIFVKL-UHFFFAOYSA-N 0 0 184.198 2.895 10 30 AFEERN N#CCCc1cnc2ccccc2c1 259612142 1169441102 /nfs/dbraw/zinc/44/11/02/1169441102.db2.gz XDQSIYHXLKHHRC-UHFFFAOYSA-N 0 0 182.226 2.691 10 30 AFEERN CC(C)(C)Cc1ccncc1C#N 259826654 1169441984 /nfs/dbraw/zinc/44/19/84/1169441984.db2.gz QYHCYDHCYZEVSP-UHFFFAOYSA-N 0 0 174.247 2.542 10 30 AFEERN N#Cc1cncc(C2CCCC2)c1 259723393 1169442541 /nfs/dbraw/zinc/44/25/41/1169442541.db2.gz LYCVBNNAPNTPAS-UHFFFAOYSA-N 0 0 172.231 2.611 10 30 AFEERN N#Cc1cc(C2CCCC2)ccn1 259805157 1169442783 /nfs/dbraw/zinc/44/27/83/1169442783.db2.gz SDBOCXXBYZHCOX-UHFFFAOYSA-N 0 0 172.231 2.611 10 30 AFEERN N#Cc1cc(-c2ccsc2)ccn1 259795073 1169443909 /nfs/dbraw/zinc/44/39/09/1169443909.db2.gz XYIRZLRHGQJMDJ-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN Cc1c(F)cc(CCC#N)cc1F 260164881 1169448217 /nfs/dbraw/zinc/44/82/17/1169448217.db2.gz SKCKLPGJSJQYFG-UHFFFAOYSA-N 0 0 181.185 2.729 10 30 AFEERN Cc1cc(CCCC#N)cc(O)c1F 260112735 1169444711 /nfs/dbraw/zinc/44/47/11/1169444711.db2.gz LGEMAPTVNXTIKU-UHFFFAOYSA-N 0 0 193.221 2.686 10 30 AFEERN C[C@@H](C#N)c1ccc(-c2ncc[nH]2)cc1 260132058 1169444719 /nfs/dbraw/zinc/44/47/19/1169444719.db2.gz MLLQAOOIMDFDHQ-VIFPVBQESA-N 0 0 197.241 2.704 10 30 AFEERN Cc1n[nH]c2ccc(CCCC#N)cc12 259977823 1169444785 /nfs/dbraw/zinc/44/47/85/1169444785.db2.gz CMONAFQUHPCBKC-UHFFFAOYSA-N 0 0 199.257 2.718 10 30 AFEERN Cc1cccc2[nH]c(CCC#N)cc12 260030430 1169444893 /nfs/dbraw/zinc/44/48/93/1169444893.db2.gz HGNDIPNCWQDKEN-UHFFFAOYSA-N 0 0 184.242 2.933 10 30 AFEERN CCOc1ccc(CCC#N)c(F)c1 260125099 1169444955 /nfs/dbraw/zinc/44/49/55/1169444955.db2.gz MBIMRHOHPMJBAF-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CN(C)c1ccccc1CCCC#N 260077902 1169445121 /nfs/dbraw/zinc/44/51/21/1169445121.db2.gz JNCAZWDYWGKSFF-UHFFFAOYSA-N 0 0 188.274 2.599 10 30 AFEERN Cn1ccc2ccc(CCC#N)cc21 259979615 1169445258 /nfs/dbraw/zinc/44/52/58/1169445258.db2.gz DSEYHNXDZIDBRY-UHFFFAOYSA-N 0 0 184.242 2.634 10 30 AFEERN N#CCCCc1ccc(O)c(F)c1F 260000473 1169445368 /nfs/dbraw/zinc/44/53/68/1169445368.db2.gz DYSSOSFTYHBRRB-UHFFFAOYSA-N 0 0 197.184 2.517 10 30 AFEERN Cc1ccc(CC(F)(F)F)cc1C#N 260080440 1169445580 /nfs/dbraw/zinc/44/55/80/1169445580.db2.gz GHFLIGGYLMTIOP-UHFFFAOYSA-N 0 0 199.175 2.972 10 30 AFEERN N#CCCCc1c(F)ccc(O)c1F 259961444 1169445706 /nfs/dbraw/zinc/44/57/06/1169445706.db2.gz BBMXWGJECAXSMA-UHFFFAOYSA-N 0 0 197.184 2.517 10 30 AFEERN COc1c(C)ccc(F)c1CCC#N 259924161 1169446010 /nfs/dbraw/zinc/44/60/10/1169446010.db2.gz AIGVVWOFWFYXIA-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN Cc1ccc(CCC#N)c(F)c1F 260016270 1169446084 /nfs/dbraw/zinc/44/60/84/1169446084.db2.gz JSPSANFEWGYVPE-UHFFFAOYSA-N 0 0 181.185 2.729 10 30 AFEERN N#CCCc1ccc2occc2c1 259943864 1169446312 /nfs/dbraw/zinc/44/63/12/1169446312.db2.gz BPCHPVODKFPTLZ-UHFFFAOYSA-N 0 0 171.199 2.889 10 30 AFEERN Cc1ccc(F)c(CCCC#N)c1O 260132002 1169446405 /nfs/dbraw/zinc/44/64/05/1169446405.db2.gz MKOOQDPXZWQPEH-UHFFFAOYSA-N 0 0 193.221 2.686 10 30 AFEERN C[C@H](O)c1ccc(CCCC#N)cc1 260112884 1169446567 /nfs/dbraw/zinc/44/65/67/1169446567.db2.gz LICPEYIAEKVRFV-JTQLQIEISA-N 0 0 189.258 2.586 10 30 AFEERN CSc1cccc(CCC#N)c1 259925232 1169446640 /nfs/dbraw/zinc/44/66/40/1169446640.db2.gz APWUZPUVDUTKCY-UHFFFAOYSA-N 0 0 177.272 2.865 10 30 AFEERN C[C@@H](O)c1ccc(CCCC#N)cc1 260112888 1169446645 /nfs/dbraw/zinc/44/66/45/1169446645.db2.gz LICPEYIAEKVRFV-SNVBAGLBSA-N 0 0 189.258 2.586 10 30 AFEERN Cc1oncc1Nc1ccccc1C#N 259876362 1169446804 /nfs/dbraw/zinc/44/68/04/1169446804.db2.gz AIYSWQIWCSTKDK-UHFFFAOYSA-N 0 0 199.213 2.598 10 30 AFEERN C[C@H](C#N)c1ccc(-c2ncc[nH]2)cc1 260132055 1169446824 /nfs/dbraw/zinc/44/68/24/1169446824.db2.gz MLLQAOOIMDFDHQ-SECBINFHSA-N 0 0 197.241 2.704 10 30 AFEERN N#CC1(COC2CCCCC2)CC1 260217137 1169447432 /nfs/dbraw/zinc/44/74/32/1169447432.db2.gz YCRQJQNCJUQKSS-UHFFFAOYSA-N 0 0 179.263 2.639 10 30 AFEERN Cc1oncc1Nc1ccc(C#N)cc1 260234340 1169447518 /nfs/dbraw/zinc/44/75/18/1169447518.db2.gz PFXFYAZABHXDRQ-UHFFFAOYSA-N 0 0 199.213 2.598 10 30 AFEERN N#CCCc1cccc(Cl)c1O 260545499 1169447726 /nfs/dbraw/zinc/44/77/26/1169447726.db2.gz SKJSANJCNZITRA-UHFFFAOYSA-N 0 0 181.622 2.502 10 30 AFEERN COc1cc(CCC#N)cc(C)c1F 260184565 1169447814 /nfs/dbraw/zinc/44/78/14/1169447814.db2.gz PMBJKAQYLVTLDS-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN N#CCCCc1cc(F)c(O)c(F)c1 260332010 1169447943 /nfs/dbraw/zinc/44/79/43/1169447943.db2.gz YZPPJFGDUBSYEW-UHFFFAOYSA-N 0 0 197.184 2.517 10 30 AFEERN CO[C@H](C)c1cccc(CCC#N)c1 260148956 1169448012 /nfs/dbraw/zinc/44/80/12/1169448012.db2.gz FMPPIEORFPBYDS-SNVBAGLBSA-N 0 0 189.258 2.850 10 30 AFEERN COc1c(CCC#N)ccc(C)c1F 260338201 1169448237 /nfs/dbraw/zinc/44/82/37/1169448237.db2.gz ZOAOEPVYIRTMMQ-UHFFFAOYSA-N 0 0 193.221 2.599 10 30 AFEERN Cc1c(F)ccc(CCC#N)c1F 260234497 1169448351 /nfs/dbraw/zinc/44/83/51/1169448351.db2.gz XPOVABLAZQPUAP-UHFFFAOYSA-N 0 0 181.185 2.729 10 30 AFEERN N#CCCCc1cc(F)c(O)cc1F 260187088 1169448369 /nfs/dbraw/zinc/44/83/69/1169448369.db2.gz POLRBBSKAURSDF-UHFFFAOYSA-N 0 0 197.184 2.517 10 30 AFEERN N#CCCc1ccc(-c2ncc[nH]2)cc1 260576905 1169448603 /nfs/dbraw/zinc/44/86/03/1169448603.db2.gz CFJUBXKMVDOXCQ-UHFFFAOYSA-N 0 0 197.241 2.533 10 30 AFEERN CN(C)c1cccc(CCCC#N)c1 260159499 1169448964 /nfs/dbraw/zinc/44/89/64/1169448964.db2.gz NWOBGXJBACZLBE-UHFFFAOYSA-N 0 0 188.274 2.599 10 30 AFEERN Cc1oncc1Nc1cccc(C#N)c1 260294621 1169448975 /nfs/dbraw/zinc/44/89/75/1169448975.db2.gz SILQLGKWHURQKU-UHFFFAOYSA-N 0 0 199.213 2.598 10 30 AFEERN N#Cc1ccc(C2CCCC2)c(N)c1 260158786 1169449183 /nfs/dbraw/zinc/44/91/83/1169449183.db2.gz SBJLPTHJSIBPBH-UHFFFAOYSA-N 0 0 186.258 2.798 10 30 AFEERN CC[C@H](C)c1ccc(C#N)cc1N 260269113 1169449188 /nfs/dbraw/zinc/44/91/88/1169449188.db2.gz ZRUOMWGVYKHDCG-QMMMGPOBSA-N 0 0 174.247 2.654 10 30 AFEERN Cc1cnc(-c2ccccc2)c(C#N)c1 260261555 1169449311 /nfs/dbraw/zinc/44/93/11/1169449311.db2.gz HEIVVRGYGIJLHA-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CO[C@@H](C)c1cccc(CCC#N)c1 260148952 1169449422 /nfs/dbraw/zinc/44/94/22/1169449422.db2.gz FMPPIEORFPBYDS-JTQLQIEISA-N 0 0 189.258 2.850 10 30 AFEERN N#Cc1cncc(Cc2ccccc2)c1 260143943 1169449487 /nfs/dbraw/zinc/44/94/87/1169449487.db2.gz JRXSXFNKYIMSJR-UHFFFAOYSA-N 0 0 194.237 2.544 10 30 AFEERN CC[C@@H](C)c1ccc(C#N)cc1N 260269109 1169449562 /nfs/dbraw/zinc/44/95/62/1169449562.db2.gz ZRUOMWGVYKHDCG-MRVPVSSYSA-N 0 0 174.247 2.654 10 30 AFEERN Cn1ccc2c(CCC#N)cccc21 261034742 1169450377 /nfs/dbraw/zinc/45/03/77/1169450377.db2.gz GNZLUPXICIVBRZ-UHFFFAOYSA-N 0 0 184.242 2.634 10 30 AFEERN N#CCCc1ccccc1OC1CC1 261033478 1169450451 /nfs/dbraw/zinc/45/04/51/1169450451.db2.gz GFLKNUZYMNTOAQ-UHFFFAOYSA-N 0 0 187.242 2.684 10 30 AFEERN N#CCCc1cccc2ccoc12 260627128 1169450704 /nfs/dbraw/zinc/45/07/04/1169450704.db2.gz YLMKWGLLJSQVPI-UHFFFAOYSA-N 0 0 171.199 2.889 10 30 AFEERN N#C[C@H]1CC[C@@H](Oc2ccccc2)C1 260876842 1169450833 /nfs/dbraw/zinc/45/08/33/1169450833.db2.gz ZBBIKLBFGUFRIQ-CMPLNLGQSA-N 0 0 187.242 2.758 10 30 AFEERN COc1c(F)cccc1CCCC#N 260671458 1169450994 /nfs/dbraw/zinc/45/09/94/1169450994.db2.gz WAGCFCDCUZCUAN-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN N#C[C@@H]1CC[C@@H](Oc2ccccc2)C1 260876848 1169451856 /nfs/dbraw/zinc/45/18/56/1169451856.db2.gz ZBBIKLBFGUFRIQ-ZYHUDNBSSA-N 0 0 187.242 2.758 10 30 AFEERN Cc1c(C#N)ccnc1-c1ccccc1 260776549 1169452037 /nfs/dbraw/zinc/45/20/37/1169452037.db2.gz YXGRZIJBIURZAT-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN N#CCCCc1cccc(Cl)c1N 260668890 1169452060 /nfs/dbraw/zinc/45/20/60/1169452060.db2.gz IBRXJTLNDFNIDQ-UHFFFAOYSA-N 0 0 194.665 2.768 10 30 AFEERN Cc1ccc2[nH]c(CCC#N)cc2c1 260607861 1169452096 /nfs/dbraw/zinc/45/20/96/1169452096.db2.gz XAEIBURNQZOOOY-UHFFFAOYSA-N 0 0 184.242 2.933 10 30 AFEERN N#CCCc1ccc(-c2ncco2)cc1 260947900 1169452110 /nfs/dbraw/zinc/45/21/10/1169452110.db2.gz LOAAICVCFHPHNP-UHFFFAOYSA-N 0 0 198.225 2.798 10 30 AFEERN CC(C)O[C@@H](C#N)c1ccccc1F 261199015 1169453892 /nfs/dbraw/zinc/45/38/92/1169453892.db2.gz WNANRICAXUNNKR-NSHDSACASA-N 0 0 193.221 2.815 10 30 AFEERN N#C[C@H]1CC[C@@H](OC2CCCC2)C1 261148226 1169454002 /nfs/dbraw/zinc/45/40/02/1169454002.db2.gz QSZSYGQTLPYEJG-GXSJLCMTSA-N 0 0 179.263 2.638 10 30 AFEERN N#CCCc1c(O)cccc1Cl 261128551 1169454064 /nfs/dbraw/zinc/45/40/64/1169454064.db2.gz KTMDFRPNMZRGEX-UHFFFAOYSA-N 0 0 181.622 2.502 10 30 AFEERN CC(C)O[C@H](C#N)c1cccc(F)c1 261194656 1169454318 /nfs/dbraw/zinc/45/43/18/1169454318.db2.gz QRPQVEZCKRROHR-LLVKDONJSA-N 0 0 193.221 2.815 10 30 AFEERN N#Cc1ncccc1C1CCCC1 261187082 1169454410 /nfs/dbraw/zinc/45/44/10/1169454410.db2.gz MBZPICJXANSOSJ-UHFFFAOYSA-N 0 0 172.231 2.611 10 30 AFEERN CC(C)O[C@@H](C#N)c1cccc(F)c1 261194657 1169454730 /nfs/dbraw/zinc/45/47/30/1169454730.db2.gz QRPQVEZCKRROHR-NSHDSACASA-N 0 0 193.221 2.815 10 30 AFEERN CC(C)O[C@H](C#N)c1ccccc1F 261199014 1169454799 /nfs/dbraw/zinc/45/47/99/1169454799.db2.gz WNANRICAXUNNKR-LLVKDONJSA-N 0 0 193.221 2.815 10 30 AFEERN CCn1ncc2cc(CCC#N)ccc21 261170883 1169454814 /nfs/dbraw/zinc/45/48/14/1169454814.db2.gz FYIWHDSZYBTVPJ-UHFFFAOYSA-N 0 0 199.257 2.512 10 30 AFEERN CC(C)COC1CCC(C#N)CC1 261127135 1169455008 /nfs/dbraw/zinc/45/50/08/1169455008.db2.gz JCCRAJZNEWGUDV-UHFFFAOYSA-N 0 0 181.279 2.741 10 30 AFEERN N#C[C@@H]1CC[C@@H](OC2CCCC2)C1 261148228 1169455109 /nfs/dbraw/zinc/45/51/09/1169455109.db2.gz QSZSYGQTLPYEJG-MWLCHTKSSA-N 0 0 179.263 2.638 10 30 AFEERN Cc1cc(F)c(CCC#N)cc1F 261098131 1169455778 /nfs/dbraw/zinc/45/57/78/1169455778.db2.gz XNIITPPXPYWJIN-UHFFFAOYSA-N 0 0 181.185 2.729 10 30 AFEERN N#CCCc1cccc(OC2CC2)c1 261062572 1169456020 /nfs/dbraw/zinc/45/60/20/1169456020.db2.gz MYKKZUTTYBEKCX-UHFFFAOYSA-N 0 0 187.242 2.684 10 30 AFEERN N#CCCCc1cc(F)cc(F)c1O 261222244 1169456615 /nfs/dbraw/zinc/45/66/15/1169456615.db2.gz OAEGRBDJRJNUCM-UHFFFAOYSA-N 0 0 197.184 2.517 10 30 AFEERN CCCc1ccc(OC)c(C#N)c1 261325205 1169456780 /nfs/dbraw/zinc/45/67/80/1169456780.db2.gz ONQWOJMXPRMDJJ-UHFFFAOYSA-N 0 0 175.231 2.519 10 30 AFEERN N#CCCCc1ccc2c(c1)NCC2 261304229 1169456864 /nfs/dbraw/zinc/45/68/64/1169456864.db2.gz SPWLLHJUWPKRLG-UHFFFAOYSA-N 0 0 186.258 2.501 10 30 AFEERN N#CCCc1cc2ccc(F)cc2[nH]1 261262307 1169456900 /nfs/dbraw/zinc/45/69/00/1169456900.db2.gz ILJXBTHUBFTQGI-UHFFFAOYSA-N 0 0 188.205 2.763 10 30 AFEERN COCc1ccc(CCCC#N)cc1 261222227 1169456937 /nfs/dbraw/zinc/45/69/37/1169456937.db2.gz NZRPIJHNAKJLJQ-UHFFFAOYSA-N 0 0 189.258 2.679 10 30 AFEERN Cc1ccc(CC2CC2)cc1C#N 261318572 1169456950 /nfs/dbraw/zinc/45/69/50/1169456950.db2.gz FWWNGHAZYWXSLL-UHFFFAOYSA-N 0 0 171.243 2.819 10 30 AFEERN COCc1ccccc1CCCC#N 261231361 1169457046 /nfs/dbraw/zinc/45/70/46/1169457046.db2.gz SRHGKIJDWMSFMN-UHFFFAOYSA-N 0 0 189.258 2.679 10 30 AFEERN N#Cc1cc(CC2CC2)ccc1F 261318594 1169457191 /nfs/dbraw/zinc/45/71/91/1169457191.db2.gz FYCJVDOFBXMYBZ-UHFFFAOYSA-N 0 0 175.206 2.650 10 30 AFEERN N#Cc1ccccc1CC1CCC1 261325834 1169457294 /nfs/dbraw/zinc/45/72/94/1169457294.db2.gz PFUAFUMQUHHXGV-UHFFFAOYSA-N 0 0 171.243 2.901 10 30 AFEERN CC(C)Oc1cc(F)c(F)cc1C#N 261209736 1169457582 /nfs/dbraw/zinc/45/75/82/1169457582.db2.gz HDLVGAVYROHVEQ-UHFFFAOYSA-N 0 0 197.184 2.624 10 30 AFEERN Cn1c(CCC#N)cc2ccccc21 261246464 1169457647 /nfs/dbraw/zinc/45/76/47/1169457647.db2.gz DRPAHNGAURWQON-UHFFFAOYSA-N 0 0 184.242 2.634 10 30 AFEERN COCc1cccc(CCCC#N)c1 261225512 1169457678 /nfs/dbraw/zinc/45/76/78/1169457678.db2.gz PUUVWTNNQGPOPV-UHFFFAOYSA-N 0 0 189.258 2.679 10 30 AFEERN C=C(C)CNc1ccc2c(c1)CCO2 306231672 1169468044 /nfs/dbraw/zinc/46/80/44/1169468044.db2.gz AIHUTEZKDNJSLG-UHFFFAOYSA-N 0 0 189.258 2.610 10 30 AFEERN C1CCC(=NNCC2CCCC2)C1 306459716 1169481556 /nfs/dbraw/zinc/48/15/56/1169481556.db2.gz BIOYATSYAJLPQO-UHFFFAOYSA-N 0 0 180.295 2.696 10 30 AFEERN N#CCCc1cccc(O)c1Cl 306707384 1169487903 /nfs/dbraw/zinc/48/79/03/1169487903.db2.gz RKPHIUUMCBHTOF-UHFFFAOYSA-N 0 0 181.622 2.502 10 30 AFEERN C=C[C@H](C)Oc1ccc(F)cc1F 306892201 1169491705 /nfs/dbraw/zinc/49/17/05/1169491705.db2.gz XJEUDASARHTKDD-ZETCQYMHSA-N 0 0 184.185 2.918 10 30 AFEERN COc1cc(Cl)cc(CCC#N)c1 306910121 1169492615 /nfs/dbraw/zinc/49/26/15/1169492615.db2.gz HUMSEPHZDDZHIS-UHFFFAOYSA-N 0 0 195.649 2.805 10 30 AFEERN Cc1c(F)cccc1CCC#N 306920398 1169493545 /nfs/dbraw/zinc/49/35/45/1169493545.db2.gz MHLAKMJBFXTCFF-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN N#CCCc1cc(Cl)cc(C#N)c1 306944008 1169494435 /nfs/dbraw/zinc/49/44/35/1169494435.db2.gz WTQDZRXDAMKXAI-UHFFFAOYSA-N 0 0 190.633 2.668 10 30 AFEERN CC(=O)C=C(C)NC1CCCCCC1 307085350 1169503023 /nfs/dbraw/zinc/50/30/23/1169503023.db2.gz JGZVGKXZEHJERL-KTKRTIGZSA-N 0 0 195.306 2.792 10 30 AFEERN N#CCCc1ccc(Cl)c(C#N)c1 307053577 1169499302 /nfs/dbraw/zinc/49/93/02/1169499302.db2.gz PZQNCNPUJGXSMM-UHFFFAOYSA-N 0 0 190.633 2.668 10 30 AFEERN N#CCCc1cccc(Cl)c1C#N 307066432 1169499411 /nfs/dbraw/zinc/49/94/11/1169499411.db2.gz VZJCQXSIZSNFPA-UHFFFAOYSA-N 0 0 190.633 2.668 10 30 AFEERN CSc1ccccc1CCC#N 307057730 1169499637 /nfs/dbraw/zinc/49/96/37/1169499637.db2.gz ZVYYQRGLMAJNMA-UHFFFAOYSA-N 0 0 177.272 2.865 10 30 AFEERN N#CCCc1ccc(O)cc1Cl 307295821 1169513331 /nfs/dbraw/zinc/51/33/31/1169513331.db2.gz PJQUZTXZWJSDKI-UHFFFAOYSA-N 0 0 181.622 2.502 10 30 AFEERN CC(C)(C)C1CCC(NCC#N)CC1 307330690 1169514454 /nfs/dbraw/zinc/51/44/54/1169514454.db2.gz YEWSCVKAWJZPJY-UHFFFAOYSA-N 0 0 194.322 2.704 10 30 AFEERN N#CCCc1ccc(C#N)cc1Cl 307424524 1169520397 /nfs/dbraw/zinc/52/03/97/1169520397.db2.gz OOHVKBFVOWNLBM-UHFFFAOYSA-N 0 0 190.633 2.668 10 30 AFEERN CCC(CC)=NOC(C)(C)C 307622104 1169533192 /nfs/dbraw/zinc/53/31/92/1169533192.db2.gz CLPKIACKBLIVKG-UHFFFAOYSA-N 0 0 157.257 2.978 10 30 AFEERN C#CCNc1cc(C)c2ccccc2n1 309051392 1169553310 /nfs/dbraw/zinc/55/33/10/1169553310.db2.gz QAIMZYARYGHLRC-UHFFFAOYSA-N 0 0 196.253 2.588 10 30 AFEERN C[C@H]1SCCC1=NOC(C)(C)C 378738759 1169561764 /nfs/dbraw/zinc/56/17/64/1169561764.db2.gz HWNZLZNVLQWNNF-SSDOTTSWSA-N 0 0 187.308 2.683 10 30 AFEERN C[C@@H]1SCCC1=NOC(C)(C)C 378738763 1169562055 /nfs/dbraw/zinc/56/20/55/1169562055.db2.gz HWNZLZNVLQWNNF-ZETCQYMHSA-N 0 0 187.308 2.683 10 30 AFEERN CC(C)CCC=NNCC(C)C 378852995 1169563538 /nfs/dbraw/zinc/56/35/38/1169563538.db2.gz HMYGWJMBEWLBHQ-UHFFFAOYSA-N 0 0 170.300 2.654 10 30 AFEERN CC(C)(C)ON=C[C@H]1CCSC1 379316680 1169567909 /nfs/dbraw/zinc/56/79/09/1169567909.db2.gz BNSRJMRQVMRITH-MRVPVSSYSA-N 0 0 187.308 2.540 10 30 AFEERN CC(C)(C)ON=C[C@@H]1CCSC1 379316681 1169568851 /nfs/dbraw/zinc/56/88/51/1169568851.db2.gz BNSRJMRQVMRITH-QMMMGPOBSA-N 0 0 187.308 2.540 10 30 AFEERN CC(C)(C)ON=CC1CCCC1 379317829 1169569788 /nfs/dbraw/zinc/56/97/88/1169569788.db2.gz HWGLIDPXVLCFMX-UHFFFAOYSA-N 0 0 169.268 2.978 10 30 AFEERN C=CCCCOc1ccnc(C)c1 379360485 1169574346 /nfs/dbraw/zinc/57/43/46/1169574346.db2.gz CGVRIILTIKSOEU-UHFFFAOYSA-N 0 0 177.247 2.735 10 30 AFEERN CC(=NO)c1ccc(OC(C)C)cc1 379360494 1169574416 /nfs/dbraw/zinc/57/44/16/1169574416.db2.gz CJFWCNTWJDWAPA-UHFFFAOYSA-N 0 0 193.246 2.672 10 30 AFEERN CC(=NOC(C)(C)C)c1cscn1 379381728 1169578347 /nfs/dbraw/zinc/57/83/47/1169578347.db2.gz HHZISIBWYZARNY-UHFFFAOYSA-N 0 0 198.291 2.682 10 30 AFEERN C=C(C)CCn1ccc(CCC)n1 379386337 1169580589 /nfs/dbraw/zinc/58/05/89/1169580589.db2.gz XJXJBVOLVDKQET-UHFFFAOYSA-N 0 0 178.279 2.802 10 30 AFEERN CC[C@H](C)OCCCCCC#N 385822317 1169609763 /nfs/dbraw/zinc/60/97/63/1169609763.db2.gz KAFGLBUGSDJQAF-JTQLQIEISA-N 0 0 169.268 2.885 10 30 AFEERN CC[C@@H](C)OCCCCCC#N 385822320 1169610783 /nfs/dbraw/zinc/61/07/83/1169610783.db2.gz KAFGLBUGSDJQAF-SNVBAGLBSA-N 0 0 169.268 2.885 10 30 AFEERN CCOC[C@@H](C)OCCCCCC#N 385391896 1169610976 /nfs/dbraw/zinc/61/09/76/1169610976.db2.gz SROHZDAABWXYNZ-LLVKDONJSA-N 0 0 199.294 2.512 10 30 AFEERN CC(C)OCCOCCCCCC#N 385377218 1169611902 /nfs/dbraw/zinc/61/19/02/1169611902.db2.gz MSGVHNGGJMOKLX-UHFFFAOYSA-N 0 0 199.294 2.512 10 30 AFEERN CCOC[C@H](C)OCCCCCC#N 385391898 1169612283 /nfs/dbraw/zinc/61/22/83/1169612283.db2.gz SROHZDAABWXYNZ-NSHDSACASA-N 0 0 199.294 2.512 10 30 AFEERN CCC[C@@H](C)NC(C#N)(CC)CC 388117648 1169618476 /nfs/dbraw/zinc/61/84/76/1169618476.db2.gz GJWHTMHIZOKYNI-SNVBAGLBSA-N 0 0 182.311 2.847 10 30 AFEERN CCC[C@H](C)NC(C#N)(CC)CC 388117647 1169618708 /nfs/dbraw/zinc/61/87/08/1169618708.db2.gz GJWHTMHIZOKYNI-JTQLQIEISA-N 0 0 182.311 2.847 10 30 AFEERN Cc1cc(C=NOC(C)(C)C)sn1 388220008 1169622551 /nfs/dbraw/zinc/62/25/51/1169622551.db2.gz HTPLLRYDRVKVAO-UHFFFAOYSA-N 0 0 198.291 2.601 10 30 AFEERN C=C(C)CCOc1ccnc(C)c1 388590947 1169629334 /nfs/dbraw/zinc/62/93/34/1169629334.db2.gz LJDIVDOSHUPBPO-UHFFFAOYSA-N 0 0 177.247 2.735 10 30 AFEERN C=CCCc1nnc([C@@H](C)CC)o1 388776221 1169632697 /nfs/dbraw/zinc/63/26/97/1169632697.db2.gz IDIOLGCTGNQSRT-QMMMGPOBSA-N 0 0 180.251 2.702 10 30 AFEERN C=CCCc1nnc([C@H](C)CC)o1 388776220 1169633911 /nfs/dbraw/zinc/63/39/11/1169633911.db2.gz IDIOLGCTGNQSRT-MRVPVSSYSA-N 0 0 180.251 2.702 10 30 AFEERN CC(C)CON=C1CC[C@@H]1C1CC1 393939517 1169647090 /nfs/dbraw/zinc/64/70/90/1169647090.db2.gz GIYKHNYAJHDYJO-SNVBAGLBSA-N 0 0 181.279 2.835 10 30 AFEERN CC(C)CON=C1CC[C@H]1C1CC1 393939515 1169647197 /nfs/dbraw/zinc/64/71/97/1169647197.db2.gz GIYKHNYAJHDYJO-JTQLQIEISA-N 0 0 181.279 2.835 10 30 AFEERN C=C[C@H](C)OC(=O)C1(CCC)CC1 394370677 1169650366 /nfs/dbraw/zinc/65/03/66/1169650366.db2.gz XSFOSRTYMDKULI-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)C1(CCC)CC1 394370676 1169651012 /nfs/dbraw/zinc/65/10/12/1169651012.db2.gz XSFOSRTYMDKULI-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN N#CCCCCCOC1CCC1 395454801 1169654329 /nfs/dbraw/zinc/65/43/29/1169654329.db2.gz QMMQRKXBMFHFOL-UHFFFAOYSA-N 0 0 167.252 2.639 10 30 AFEERN CCOc1c(F)cccc1CCC#N 396123598 1169655186 /nfs/dbraw/zinc/65/51/86/1169655186.db2.gz ZHPHNJKYTIYECR-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CCOc1ccc(C)c(CCC#N)c1 396087865 1169655273 /nfs/dbraw/zinc/65/52/73/1169655273.db2.gz RPWLXQZIUOSOBD-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN CCOc1cc(C)ccc1CCC#N 396086320 1169655460 /nfs/dbraw/zinc/65/54/60/1169655460.db2.gz OHGFEETYLZNADI-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN CCOc1cc(F)cc(CCC#N)c1 396084381 1169655686 /nfs/dbraw/zinc/65/56/86/1169655686.db2.gz GJEHZPXKADDQQP-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CCOc1ccc(CCC#N)c(C)c1 396087510 1169655829 /nfs/dbraw/zinc/65/58/29/1169655829.db2.gz QRBLCOICEAWONW-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN CCOc1ccc(C)cc1CCC#N 396083923 1169656093 /nfs/dbraw/zinc/65/60/93/1169656093.db2.gz IWLBJQXEKKRSIT-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN CCOc1cc(CCC#N)ccc1C 396084480 1169656361 /nfs/dbraw/zinc/65/63/61/1169656361.db2.gz JZMJFWGHJJFULE-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN CCOc1cc(F)ccc1CCC#N 396122785 1169656500 /nfs/dbraw/zinc/65/65/00/1169656500.db2.gz XPYCBYKJDZJNGJ-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CCOc1cc(CCC#N)ccc1F 396084357 1169656595 /nfs/dbraw/zinc/65/65/95/1169656595.db2.gz GGNAESBYEOKWQO-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CCc1cc(OC)ccc1CCC#N 396080516 1169656670 /nfs/dbraw/zinc/65/66/70/1169656670.db2.gz XCYZSRFVKBFCQR-UHFFFAOYSA-N 0 0 189.258 2.714 10 30 AFEERN CCOc1cccc(CCC#N)c1F 396093647 1169656841 /nfs/dbraw/zinc/65/68/41/1169656841.db2.gz IQUYCSVYZMUIIT-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CCOc1ccc(F)cc1CCC#N 396120610 1169656823 /nfs/dbraw/zinc/65/68/23/1169656823.db2.gz RQZQIEKDHACRTG-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CCOc1ccc(F)c(CCC#N)c1 396093843 1169657313 /nfs/dbraw/zinc/65/73/13/1169657313.db2.gz JBHMZEJNFIYEHZ-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CCOc1cccc(F)c1CCC#N 396105212 1169657324 /nfs/dbraw/zinc/65/73/24/1169657324.db2.gz UARJSMMFQRXEIB-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN CC[C@@H](OCC#N)c1ccccc1 403108696 1169679819 /nfs/dbraw/zinc/67/98/19/1169679819.db2.gz HYAHCESOGURWCB-LLVKDONJSA-N 0 0 175.231 2.678 10 30 AFEERN C=C(C)Cc1ccc2c(c1)OCC2 606252615 1169690388 /nfs/dbraw/zinc/69/03/88/1169690388.db2.gz NFNUICBDQVMDJN-UHFFFAOYSA-N 0 0 174.243 2.740 10 30 AFEERN C=CCc1ccc2c(c1)CCCO2 606252508 1169690465 /nfs/dbraw/zinc/69/04/65/1169690465.db2.gz DKLORLSHWDNMCQ-UHFFFAOYSA-N 0 0 174.243 2.740 10 30 AFEERN C=C(C)Cc1cccc2c1OCC2 606252595 1169690590 /nfs/dbraw/zinc/69/05/90/1169690590.db2.gz IYEKGMXYWVFQPA-UHFFFAOYSA-N 0 0 174.243 2.740 10 30 AFEERN C=C(C)Cc1cccc2c1OCCO2 606262562 1169692439 /nfs/dbraw/zinc/69/24/39/1169692439.db2.gz FVAKKPMSUKGATH-UHFFFAOYSA-N 0 0 190.242 2.576 10 30 AFEERN CC#CCOc1cc(F)cc(Cl)c1 606272814 1169695160 /nfs/dbraw/zinc/69/51/60/1169695160.db2.gz YJCJCPIZGXQTCB-UHFFFAOYSA-N 0 0 198.624 2.881 10 30 AFEERN N#CCCc1cccc2cccnc12 705915811 1169710785 /nfs/dbraw/zinc/71/07/85/1169710785.db2.gz BGCVIPLTFUSNHH-UHFFFAOYSA-N 0 0 182.226 2.691 10 30 AFEERN C=C[C@@H](C)Oc1cccc(Cl)n1 706049559 1169710553 /nfs/dbraw/zinc/71/05/53/1169710553.db2.gz WZLYANTWVNOWOB-SSDOTTSWSA-N 0 0 183.638 2.688 10 30 AFEERN C=C[C@H](C)Oc1cccc(Cl)n1 706049560 1169710700 /nfs/dbraw/zinc/71/07/00/1169710700.db2.gz WZLYANTWVNOWOB-ZETCQYMHSA-N 0 0 183.638 2.688 10 30 AFEERN C=C[C@H](C)OCc1ccccc1C#N 705981863 1169710710 /nfs/dbraw/zinc/71/07/10/1169710710.db2.gz QLKCTZGPBUHOFK-JTQLQIEISA-N 0 0 187.242 2.649 10 30 AFEERN C=C[C@@H](C)Oc1c(C)cccc1C#N 706110652 1169710758 /nfs/dbraw/zinc/71/07/58/1169710758.db2.gz SNXMDKUTYBFLRG-SNVBAGLBSA-N 0 0 187.242 2.820 10 30 AFEERN C=C[C@H](C)OCC(=O)c1cccs1 706038835 1169710857 /nfs/dbraw/zinc/71/08/57/1169710857.db2.gz LYCWCQZCPXQBSY-QMMMGPOBSA-N 0 0 196.271 2.522 10 30 AFEERN C=C[C@H](C)OCc1ccc(C#N)cc1 705983036 1169710874 /nfs/dbraw/zinc/71/08/74/1169710874.db2.gz UGNOWRHUJMFMCH-JTQLQIEISA-N 0 0 187.242 2.649 10 30 AFEERN N#CCCc1cccc2ncccc12 705916381 1169711284 /nfs/dbraw/zinc/71/12/84/1169711284.db2.gz QQBHPPMPVZFGQK-UHFFFAOYSA-N 0 0 182.226 2.691 10 30 AFEERN C=CC[C@H](C=C)Oc1cccc(F)n1 706061331 1169711392 /nfs/dbraw/zinc/71/13/92/1169711392.db2.gz OWUVHJGSNCJYQB-VIFPVBQESA-N 0 0 193.221 2.730 10 30 AFEERN C=C[C@@H](C)Oc1ccc(C#N)cc1C 706104431 1169711494 /nfs/dbraw/zinc/71/14/94/1169711494.db2.gz ALNDPRYOFDAPGC-SNVBAGLBSA-N 0 0 187.242 2.820 10 30 AFEERN C=C[C@H](C)Oc1ccc(F)cc1C#N 706111247 1169711589 /nfs/dbraw/zinc/71/15/89/1169711589.db2.gz SRZPLGJHEWQSPU-QMMMGPOBSA-N 0 0 191.205 2.651 10 30 AFEERN C=C[C@@H](C)Oc1cc(C)ccc1C#N 706110662 1169712239 /nfs/dbraw/zinc/71/22/39/1169712239.db2.gz SVJBSTSHPXJPDO-SNVBAGLBSA-N 0 0 187.242 2.820 10 30 AFEERN C=C[C@@H](C)OCCCCCC#N 705995784 1169711725 /nfs/dbraw/zinc/71/17/25/1169711725.db2.gz MDPFAXPTNJMFKM-SNVBAGLBSA-N 0 0 167.252 2.661 10 30 AFEERN C=CC[C@@H](C=C)Oc1cccc(F)n1 706061329 1169711873 /nfs/dbraw/zinc/71/18/73/1169711873.db2.gz OWUVHJGSNCJYQB-SECBINFHSA-N 0 0 193.221 2.730 10 30 AFEERN C=C[C@H](C)Oc1c(C)cccc1C#N 706110650 1169711886 /nfs/dbraw/zinc/71/18/86/1169711886.db2.gz SNXMDKUTYBFLRG-JTQLQIEISA-N 0 0 187.242 2.820 10 30 AFEERN C=C[C@@H](C)OCc1cccc(C#N)c1 705983051 1169711934 /nfs/dbraw/zinc/71/19/34/1169711934.db2.gz UIZLHXCGBXZKPE-SNVBAGLBSA-N 0 0 187.242 2.649 10 30 AFEERN N#CCCc1ccc2cccnc2c1 705916075 1169712005 /nfs/dbraw/zinc/71/20/05/1169712005.db2.gz JXBIJPXTYZJZOC-UHFFFAOYSA-N 0 0 182.226 2.691 10 30 AFEERN C=C[C@@H](C)Oc1ccc(F)cc1C#N 706111243 1169712026 /nfs/dbraw/zinc/71/20/26/1169712026.db2.gz SRZPLGJHEWQSPU-MRVPVSSYSA-N 0 0 191.205 2.651 10 30 AFEERN C=C[C@@H](C)OCc1ccc(C#N)cc1 705983038 1169712033 /nfs/dbraw/zinc/71/20/33/1169712033.db2.gz UGNOWRHUJMFMCH-SNVBAGLBSA-N 0 0 187.242 2.649 10 30 AFEERN C=C[C@@H](C)Oc1ccnc(Cl)c1 706049227 1169712065 /nfs/dbraw/zinc/71/20/65/1169712065.db2.gz RPRCNBCIOJPNRH-SSDOTTSWSA-N 0 0 183.638 2.688 10 30 AFEERN C=CC[C@@H](C=C)Oc1ccnc(F)c1 706059808 1169712245 /nfs/dbraw/zinc/71/22/45/1169712245.db2.gz BTIHFFPHWBECHC-SECBINFHSA-N 0 0 193.221 2.730 10 30 AFEERN C=CC[C@@H](C=C)OCCCCC#N 705993081 1169712253 /nfs/dbraw/zinc/71/22/53/1169712253.db2.gz DUKKNRJNSOURLE-LLVKDONJSA-N 0 0 179.263 2.828 10 30 AFEERN C=C[C@@H](C)OCc1ccccc1C#N 705981872 1169712310 /nfs/dbraw/zinc/71/23/10/1169712310.db2.gz QLKCTZGPBUHOFK-SNVBAGLBSA-N 0 0 187.242 2.649 10 30 AFEERN C=C[C@H](C)Oc1ccnc(Cl)c1 706049228 1169712461 /nfs/dbraw/zinc/71/24/61/1169712461.db2.gz RPRCNBCIOJPNRH-ZETCQYMHSA-N 0 0 183.638 2.688 10 30 AFEERN C=C[C@H](C)OCCCCCC#N 705995781 1169712547 /nfs/dbraw/zinc/71/25/47/1169712547.db2.gz MDPFAXPTNJMFKM-JTQLQIEISA-N 0 0 167.252 2.661 10 30 AFEERN C=CC[C@@H](C=C)OCC(=O)C(C)(C)C 706060190 1169712592 /nfs/dbraw/zinc/71/25/92/1169712592.db2.gz FBOMEQBMFDDGNK-SNVBAGLBSA-N 0 0 196.290 2.749 10 30 AFEERN C=C[C@@H](C)OCC(=O)c1cccs1 706038834 1169712606 /nfs/dbraw/zinc/71/26/06/1169712606.db2.gz LYCWCQZCPXQBSY-MRVPVSSYSA-N 0 0 196.271 2.522 10 30 AFEERN C=C[C@H](C)Oc1ccc(C#N)cc1C 706104427 1169712629 /nfs/dbraw/zinc/71/26/29/1169712629.db2.gz ALNDPRYOFDAPGC-JTQLQIEISA-N 0 0 187.242 2.820 10 30 AFEERN C=CC[C@H](C=C)OCC(=O)C(C)(C)C 706060188 1169712633 /nfs/dbraw/zinc/71/26/33/1169712633.db2.gz FBOMEQBMFDDGNK-JTQLQIEISA-N 0 0 196.290 2.749 10 30 AFEERN C=C[C@H](C)OCc1cccc(C#N)c1 705983048 1169712738 /nfs/dbraw/zinc/71/27/38/1169712738.db2.gz UIZLHXCGBXZKPE-JTQLQIEISA-N 0 0 187.242 2.649 10 30 AFEERN C=CC[C@H](C=C)Oc1ccnc(F)c1 706059809 1169712741 /nfs/dbraw/zinc/71/27/41/1169712741.db2.gz BTIHFFPHWBECHC-VIFPVBQESA-N 0 0 193.221 2.730 10 30 AFEERN C=CCc1cccnc1C(F)(F)F 706154759 1169712758 /nfs/dbraw/zinc/71/27/58/1169712758.db2.gz QMNQFSJJSHYSTO-UHFFFAOYSA-N 0 0 187.164 2.829 10 30 AFEERN C=C[C@H](C)Oc1cc(C)ccc1C#N 706110661 1169712775 /nfs/dbraw/zinc/71/27/75/1169712775.db2.gz SVJBSTSHPXJPDO-JTQLQIEISA-N 0 0 187.242 2.820 10 30 AFEERN C=CC[C@H](C=C)OCCCCC#N 705993082 1169712813 /nfs/dbraw/zinc/71/28/13/1169712813.db2.gz DUKKNRJNSOURLE-NSHDSACASA-N 0 0 179.263 2.828 10 30 AFEERN C=C[C@H](C)Oc1ccc(C#N)c(C)c1 706606609 1169714216 /nfs/dbraw/zinc/71/42/16/1169714216.db2.gz BCZPXDYWKTYTEE-JTQLQIEISA-N 0 0 187.242 2.820 10 30 AFEERN C=C[C@@H](C)Oc1ccc(C#N)c(C)c1 706606612 1169715326 /nfs/dbraw/zinc/71/53/26/1169715326.db2.gz BCZPXDYWKTYTEE-SNVBAGLBSA-N 0 0 187.242 2.820 10 30 AFEERN C[C@H]1C[C@H](N(C)CC#N)CC(C)(C)C1 708746977 1169720060 /nfs/dbraw/zinc/72/00/60/1169720060.db2.gz HIZNPEVRPJTIGC-QWRGUYRKSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H]1C[C@H](N(C)CC#N)CC(C)(C)C1 708746973 1169720862 /nfs/dbraw/zinc/72/08/62/1169720862.db2.gz HIZNPEVRPJTIGC-MNOVXSKESA-N 0 0 194.322 2.657 10 30 AFEERN C[C@H]1C[C@@H](N(C)CC#N)CC(C)(C)C1 708746980 1169721525 /nfs/dbraw/zinc/72/15/25/1169721525.db2.gz HIZNPEVRPJTIGC-WDEREUQCSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H]1C[C@@H](N(C)CC#N)CC(C)(C)C1 708746969 1169721575 /nfs/dbraw/zinc/72/15/75/1169721575.db2.gz HIZNPEVRPJTIGC-GHMZBOCLSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H](C#N)N(C)[C@@H]1CCCC(C)(C)C1 708578351 1169722312 /nfs/dbraw/zinc/72/23/12/1169722312.db2.gz UFUPXSATVIHORY-WDEREUQCSA-N 0 0 194.322 2.799 10 30 AFEERN C[C@H](C#N)N(C)[C@H]1CCCC(C)(C)C1 708578349 1169722574 /nfs/dbraw/zinc/72/25/74/1169722574.db2.gz UFUPXSATVIHORY-MNOVXSKESA-N 0 0 194.322 2.799 10 30 AFEERN C[C@@H](C#N)N(C)[C@H]1CCCC(C)(C)C1 708578350 1169723179 /nfs/dbraw/zinc/72/31/79/1169723179.db2.gz UFUPXSATVIHORY-QWRGUYRKSA-N 0 0 194.322 2.799 10 30 AFEERN C[C@H](C#N)N(C)[C@@H]1CCCC(C)(C)C1 708578348 1169723359 /nfs/dbraw/zinc/72/33/59/1169723359.db2.gz UFUPXSATVIHORY-GHMZBOCLSA-N 0 0 194.322 2.799 10 30 AFEERN C#CC[C@H](C)Oc1c(C)cccc1C#N 709292427 1169723758 /nfs/dbraw/zinc/72/37/58/1169723758.db2.gz ZTEIXHOMZQXQHI-NSHDSACASA-N 0 0 199.253 2.657 10 30 AFEERN C#CC[C@@H](C)Oc1ccnc(Cl)c1 709335906 1169723768 /nfs/dbraw/zinc/72/37/68/1169723768.db2.gz WOHZUNJBLGQVGF-MRVPVSSYSA-N 0 0 195.649 2.526 10 30 AFEERN C#CC[C@@H](C)Oc1ccc(C#N)c(C)c1 709290236 1169724058 /nfs/dbraw/zinc/72/40/58/1169724058.db2.gz MHPYSNHPIJFAOE-LLVKDONJSA-N 0 0 199.253 2.657 10 30 AFEERN C#CC[C@H](C)Oc1ccnc(Cl)c1 709335908 1169724551 /nfs/dbraw/zinc/72/45/51/1169724551.db2.gz WOHZUNJBLGQVGF-QMMMGPOBSA-N 0 0 195.649 2.526 10 30 AFEERN C#CC[C@H](C)Oc1cccc(Cl)n1 709334266 1169724652 /nfs/dbraw/zinc/72/46/52/1169724652.db2.gz LHNRVICMSDCVMO-QMMMGPOBSA-N 0 0 195.649 2.526 10 30 AFEERN C#CC[C@H](C)Oc1ccc(C#N)c(C)c1 709290237 1169724801 /nfs/dbraw/zinc/72/48/01/1169724801.db2.gz MHPYSNHPIJFAOE-NSHDSACASA-N 0 0 199.253 2.657 10 30 AFEERN C#CC[C@H](C)Oc1ccc(C#N)cc1C 709290902 1169724909 /nfs/dbraw/zinc/72/49/09/1169724909.db2.gz PXFGDSQKAYHZTR-NSHDSACASA-N 0 0 199.253 2.657 10 30 AFEERN C#CC[C@@H](C)Oc1cc(C)ccc1C#N 709292316 1169724957 /nfs/dbraw/zinc/72/49/57/1169724957.db2.gz XVHRYAKHSWABMA-LLVKDONJSA-N 0 0 199.253 2.657 10 30 AFEERN C#CC[C@@H](C)Oc1c(C)cccc1C#N 709292424 1169725165 /nfs/dbraw/zinc/72/51/65/1169725165.db2.gz ZTEIXHOMZQXQHI-LLVKDONJSA-N 0 0 199.253 2.657 10 30 AFEERN C#CC[C@H](C)Oc1cc(C)ccc1C#N 709292317 1169725567 /nfs/dbraw/zinc/72/55/67/1169725567.db2.gz XVHRYAKHSWABMA-NSHDSACASA-N 0 0 199.253 2.657 10 30 AFEERN C#CC[C@@H](C)Oc1cccc(Cl)n1 709334263 1169725760 /nfs/dbraw/zinc/72/57/60/1169725760.db2.gz LHNRVICMSDCVMO-MRVPVSSYSA-N 0 0 195.649 2.526 10 30 AFEERN C#CC[C@@H](C)Oc1ccc(C#N)cc1C 709290899 1169725908 /nfs/dbraw/zinc/72/59/08/1169725908.db2.gz PXFGDSQKAYHZTR-LLVKDONJSA-N 0 0 199.253 2.657 10 30 AFEERN Cc1ccc(CC2CC2)c(C#N)c1 709863023 1169727824 /nfs/dbraw/zinc/72/78/24/1169727824.db2.gz QYJOWUJDNKEXQB-UHFFFAOYSA-N 0 0 171.243 2.819 10 30 AFEERN N#Cc1cccc(CC2CC2)c1F 709880138 1169727862 /nfs/dbraw/zinc/72/78/62/1169727862.db2.gz ZVWJBBYIZMITAX-UHFFFAOYSA-N 0 0 175.206 2.650 10 30 AFEERN C=C(C)Cc1ccnn1C(C)C 711297940 1169729827 /nfs/dbraw/zinc/72/98/27/1169729827.db2.gz RUXVITOFXCKQAG-UHFFFAOYSA-N 0 0 164.252 2.583 10 30 AFEERN C=C(C)Cc1cccc(COC)c1 711274143 1169730840 /nfs/dbraw/zinc/73/08/40/1169730840.db2.gz HFRJVQTUAWBTPQ-UHFFFAOYSA-N 0 0 176.259 2.952 10 30 AFEERN C=C(C)Cc1cncc(OC(C)C)c1 711276071 1169731025 /nfs/dbraw/zinc/73/10/25/1169731025.db2.gz UGVYYSPJZIELFE-UHFFFAOYSA-N 0 0 191.274 2.987 10 30 AFEERN C=C(C)Cc1ccnc(OC)c1Cl 711306270 1169731659 /nfs/dbraw/zinc/73/16/59/1169731659.db2.gz CLHYZLFTVVCDOT-UHFFFAOYSA-N 0 0 197.665 2.862 10 30 AFEERN N#Cc1cccc(-c2cncs2)c1 714064903 1169733110 /nfs/dbraw/zinc/73/31/10/1169733110.db2.gz RSFRYDQXAKTJTP-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN C=C(C)Cc1cnn(C(C)(C)C)c1 714322571 1169734169 /nfs/dbraw/zinc/73/41/69/1169734169.db2.gz JDXWQPRTONIKTA-UHFFFAOYSA-N 0 0 178.279 2.757 10 30 AFEERN C=CC[C@@H](C)Oc1ccc(CO)cc1 715029923 1169737808 /nfs/dbraw/zinc/73/78/08/1169737808.db2.gz UNSPEXUJIFULIY-SNVBAGLBSA-N 0 0 192.258 2.522 10 30 AFEERN C=CC[C@@H](C)Oc1ccc(F)nc1 715761879 1169739512 /nfs/dbraw/zinc/73/95/12/1169739512.db2.gz YFHKFNMCTLIKPB-MRVPVSSYSA-N 0 0 181.210 2.564 10 30 AFEERN C=CC[C@@H](C)Oc1cccnc1F 715757408 1169739906 /nfs/dbraw/zinc/73/99/06/1169739906.db2.gz KYQLWSKWRSFLAX-MRVPVSSYSA-N 0 0 181.210 2.564 10 30 AFEERN C=CC[C@@H](C)Oc1ccccc1O 715800413 1169740019 /nfs/dbraw/zinc/74/00/19/1169740019.db2.gz SBCVMQATSKLGSN-SECBINFHSA-N 0 0 178.231 2.736 10 30 AFEERN C=CC[C@@H](C)Oc1cccc(O)c1 715800175 1169740517 /nfs/dbraw/zinc/74/05/17/1169740517.db2.gz RKWYUMKCXHMAJU-SECBINFHSA-N 0 0 178.231 2.736 10 30 AFEERN C=CC[C@@H](C)Oc1ccc(O)cc1 715801747 1169741358 /nfs/dbraw/zinc/74/13/58/1169741358.db2.gz ZNXJJUDJTMLKAE-SECBINFHSA-N 0 0 178.231 2.736 10 30 AFEERN C=CC[C@@H](C)Oc1cccc(C#N)c1 715789260 1169741369 /nfs/dbraw/zinc/74/13/69/1169741369.db2.gz VDOUOSXGGDABFV-SNVBAGLBSA-N 0 0 187.242 2.902 10 30 AFEERN C=C(C)CNc1nccc2cccnc12 716918687 1169743795 /nfs/dbraw/zinc/74/37/95/1169743795.db2.gz RERZCXKWMILLOQ-UHFFFAOYSA-N 0 0 199.257 2.618 10 30 AFEERN C=C(C)CNc1ccnc2ncccc12 718932521 1169751768 /nfs/dbraw/zinc/75/17/68/1169751768.db2.gz FJCAUJVHAHJUOL-UHFFFAOYSA-N 0 0 199.257 2.618 10 30 AFEERN C[C@H](Oc1cccc(C#N)c1)C1CC1 719001163 1169752868 /nfs/dbraw/zinc/75/28/68/1169752868.db2.gz OLGLEJPKSFOZPD-VIFPVBQESA-N 0 0 187.242 2.736 10 30 AFEERN C[C@H](Oc1ccccc1C#N)C1CC1 719003486 1169752967 /nfs/dbraw/zinc/75/29/67/1169752967.db2.gz XREUGTIIWWDDPF-VIFPVBQESA-N 0 0 187.242 2.736 10 30 AFEERN C[C@H](Oc1ccc(C#N)cc1)C1CC1 719001689 1169755875 /nfs/dbraw/zinc/75/58/75/1169755875.db2.gz QHNPESAIURIEMB-VIFPVBQESA-N 0 0 187.242 2.736 10 30 AFEERN C[C@@H](OCCCCC#N)C1CCC1 719686983 1169753504 /nfs/dbraw/zinc/75/35/04/1169753504.db2.gz RWRCQLNTNSTYNY-SNVBAGLBSA-N 0 0 181.279 2.885 10 30 AFEERN C[C@H](OCCCCC#N)C1CCC1 719686982 1169753904 /nfs/dbraw/zinc/75/39/04/1169753904.db2.gz RWRCQLNTNSTYNY-JTQLQIEISA-N 0 0 181.279 2.885 10 30 AFEERN C[C@@H](Oc1cccc(C#N)c1)C1CC1 719001162 1169754376 /nfs/dbraw/zinc/75/43/76/1169754376.db2.gz OLGLEJPKSFOZPD-SECBINFHSA-N 0 0 187.242 2.736 10 30 AFEERN C[C@@H](Oc1ccccc1C#N)C1CC1 719003483 1169754394 /nfs/dbraw/zinc/75/43/94/1169754394.db2.gz XREUGTIIWWDDPF-SECBINFHSA-N 0 0 187.242 2.736 10 30 AFEERN C[C@H](OCCCCCC#N)C1CC1 719024482 1169754534 /nfs/dbraw/zinc/75/45/34/1169754534.db2.gz OFKYBZZDCQIRFA-JTQLQIEISA-N 0 0 181.279 2.885 10 30 AFEERN C[C@@H](Oc1ccc(C#N)cc1)C1CC1 719001687 1169755434 /nfs/dbraw/zinc/75/54/34/1169755434.db2.gz QHNPESAIURIEMB-SECBINFHSA-N 0 0 187.242 2.736 10 30 AFEERN C[C@@H](OCCCCCC#N)C1CC1 719024483 1169755640 /nfs/dbraw/zinc/75/56/40/1169755640.db2.gz OFKYBZZDCQIRFA-SNVBAGLBSA-N 0 0 181.279 2.885 10 30 AFEERN N#CCOC1CCCCCCC1 721060725 1169757969 /nfs/dbraw/zinc/75/79/69/1169757969.db2.gz JDMVMHVLZRQWPM-UHFFFAOYSA-N 0 0 167.252 2.639 10 30 AFEERN C[C@H]1CC[C@H](OCCCCC#N)C1 721548606 1169760564 /nfs/dbraw/zinc/76/05/64/1169760564.db2.gz GFFBHYRJIWHCQQ-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CCC(CC)Oc1cccc(C#N)n1 721617549 1169760617 /nfs/dbraw/zinc/76/06/17/1169760617.db2.gz IFZQZNUPXRYBNO-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN C[C@H]1CC[C@@H](OCCCCC#N)C1 721548607 1169761114 /nfs/dbraw/zinc/76/11/14/1169761114.db2.gz GFFBHYRJIWHCQQ-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN C[C@@H]1CC[C@H](OCCCCC#N)C1 721548605 1169761137 /nfs/dbraw/zinc/76/11/37/1169761137.db2.gz GFFBHYRJIWHCQQ-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN C[C@@H]1CC[C@@H](OCCCCC#N)C1 721548604 1169761471 /nfs/dbraw/zinc/76/14/71/1169761471.db2.gz GFFBHYRJIWHCQQ-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN CCC(CC)Oc1ccc(C#N)nc1 721618137 1169762571 /nfs/dbraw/zinc/76/25/71/1169762571.db2.gz KKAKUPPILYUHSL-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN CCC(CC)OCCCCC#N 721627429 1169764067 /nfs/dbraw/zinc/76/40/67/1169764067.db2.gz DXJPXBHJUWVPFQ-UHFFFAOYSA-N 0 0 169.268 2.885 10 30 AFEERN CCC(CC)Oc1cccnc1C#N 721621633 1169764113 /nfs/dbraw/zinc/76/41/13/1169764113.db2.gz VFHGYUJOVNFRBB-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN C[C@H](C#N)N(C)C1CCC2(CC1)CC2 723414419 1169767320 /nfs/dbraw/zinc/76/73/20/1169767320.db2.gz UCCBODMGROFYGM-SNVBAGLBSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@@H](C#N)N(C)C1CCC2(CC1)CC2 723414417 1169770588 /nfs/dbraw/zinc/77/05/88/1169770588.db2.gz UCCBODMGROFYGM-JTQLQIEISA-N 0 0 192.306 2.553 10 30 AFEERN C#C[C@@H](CC)Oc1ccc(F)cc1 725329624 1169771447 /nfs/dbraw/zinc/77/14/47/1169771447.db2.gz PABMFNROCCOLLT-JTQLQIEISA-N 0 0 178.206 2.616 10 30 AFEERN C#C[C@H](CC)Oc1ccc(F)cc1 725329625 1169772613 /nfs/dbraw/zinc/77/26/13/1169772613.db2.gz PABMFNROCCOLLT-SNVBAGLBSA-N 0 0 178.206 2.616 10 30 AFEERN C#C[C@@H](CC)Oc1cccc(F)c1 725329387 1169773056 /nfs/dbraw/zinc/77/30/56/1169773056.db2.gz HJOIIHFJZTVTEH-JTQLQIEISA-N 0 0 178.206 2.616 10 30 AFEERN C#C[C@H](CC)Oc1cccc(F)c1 725329388 1169773359 /nfs/dbraw/zinc/77/33/59/1169773359.db2.gz HJOIIHFJZTVTEH-SNVBAGLBSA-N 0 0 178.206 2.616 10 30 AFEERN C#CCON=C[C@H]1CC(C)=C[C@H](C)C1 812233247 1169778473 /nfs/dbraw/zinc/77/84/73/1169778473.db2.gz SZQLNWDTRUBXHM-CMPLNLGQSA-N 0 0 191.274 2.614 10 30 AFEERN C#CCON=C[C@H]1CC(C)=C[C@@H](C)C1 812233250 1169778487 /nfs/dbraw/zinc/77/84/87/1169778487.db2.gz SZQLNWDTRUBXHM-ZYHUDNBSSA-N 0 0 191.274 2.614 10 30 AFEERN C#CCON=C[C@@H]1CC(C)=C[C@H](C)C1 812233248 1169778520 /nfs/dbraw/zinc/77/85/20/1169778520.db2.gz SZQLNWDTRUBXHM-JQWIXIFHSA-N 0 0 191.274 2.614 10 30 AFEERN C#CCON=C[C@@H]1CC(C)=C[C@@H](C)C1 812233249 1169778546 /nfs/dbraw/zinc/77/85/46/1169778546.db2.gz SZQLNWDTRUBXHM-PWSUYJOCSA-N 0 0 191.274 2.614 10 30 AFEERN C1C[C@H]2CC(=NOCC3CC3)C[C@H]2C1 905470424 1169782725 /nfs/dbraw/zinc/78/27/25/1169782725.db2.gz QAYSVKQUOXXMDL-PHIMTYICSA-N 0 0 193.290 2.979 10 30 AFEERN C=C(C)CNN=C1C[C@@H]2CCC[C@@H]2C1 905471217 1169782750 /nfs/dbraw/zinc/78/27/50/1169782750.db2.gz LEDCPQMEIUIVKC-PHIMTYICSA-N 0 0 192.306 2.718 10 30 AFEERN CC[C@@H](C)NN=C1C[C@@H]2CCC[C@@H]2C1 905462354 1169782757 /nfs/dbraw/zinc/78/27/57/1169782757.db2.gz ITGGGUAESPDJMS-MXWKQRLJSA-N 0 0 194.322 2.941 10 30 AFEERN CC[C@H](C)NN=C1C[C@@H]2CCC[C@H]2C1 905462351 1169782770 /nfs/dbraw/zinc/78/27/70/1169782770.db2.gz ITGGGUAESPDJMS-DCAQKATOSA-N 0 0 194.322 2.941 10 30 AFEERN CC[C@H](C)NN=C1C[C@H]2CCC[C@@H]2C1 905462353 1169782786 /nfs/dbraw/zinc/78/27/86/1169782786.db2.gz ITGGGUAESPDJMS-HBNTYKKESA-N 0 0 194.322 2.941 10 30 AFEERN C1C[C@@H]2CC(=NOCC3CC3)C[C@H]2C1 905470423 1169782845 /nfs/dbraw/zinc/78/28/45/1169782845.db2.gz QAYSVKQUOXXMDL-GHMZBOCLSA-N 0 0 193.290 2.979 10 30 AFEERN CC[C@H](C)NN=C1C[C@@H]2CCC[C@@H]2C1 905462352 1169782897 /nfs/dbraw/zinc/78/28/97/1169782897.db2.gz ITGGGUAESPDJMS-GARJFASQSA-N 0 0 194.322 2.941 10 30 AFEERN C1C[C@H]2CC(=NOCC3CC3)C[C@@H]2C1 905470425 1169782884 /nfs/dbraw/zinc/78/28/84/1169782884.db2.gz QAYSVKQUOXXMDL-QWRGUYRKSA-N 0 0 193.290 2.979 10 30 AFEERN C=C(C)CNN=C1C[C@H]2CCC[C@@H]2C1 905471215 1169782973 /nfs/dbraw/zinc/78/29/73/1169782973.db2.gz LEDCPQMEIUIVKC-GHMZBOCLSA-N 0 0 192.306 2.718 10 30 AFEERN C=C(C)CNN=C1C[C@@H]2CCC[C@H]2C1 905471219 1169782941 /nfs/dbraw/zinc/78/29/41/1169782941.db2.gz LEDCPQMEIUIVKC-QWRGUYRKSA-N 0 0 192.306 2.718 10 30 AFEERN C#CCCCc1nnc([C@@H](C)CC)o1 1118429533 1169784775 /nfs/dbraw/zinc/78/47/75/1169784775.db2.gz GXHXORIHCVJDPQ-VIFPVBQESA-N 0 0 192.262 2.539 10 30 AFEERN C#CCCCc1nnc([C@H](C)CC)o1 1118429532 1169784933 /nfs/dbraw/zinc/78/49/33/1169784933.db2.gz GXHXORIHCVJDPQ-SECBINFHSA-N 0 0 192.262 2.539 10 30 AFEERN C=C(C)CNc1cccc(C2CC2)n1 1155661988 1169794760 /nfs/dbraw/zinc/79/47/60/1169794760.db2.gz OIOPCDHACBRUHZ-UHFFFAOYSA-N 0 0 188.274 2.947 10 30 AFEERN CCC[C@@H](CC)OCCCC#N 1205632812 1169816927 /nfs/dbraw/zinc/81/69/27/1169816927.db2.gz YSDCPMIDHVZENW-SNVBAGLBSA-N 0 0 169.268 2.885 10 30 AFEERN CCC[C@H](CC)OCCCC#N 1205632810 1169816982 /nfs/dbraw/zinc/81/69/82/1169816982.db2.gz YSDCPMIDHVZENW-JTQLQIEISA-N 0 0 169.268 2.885 10 30 AFEERN N#Cc1ccccc1O[C@@H]1C=CCC1 1225199040 1169827430 /nfs/dbraw/zinc/82/74/30/1169827430.db2.gz MOSWAEKLDZSAEO-LLVKDONJSA-N 0 0 185.226 2.656 10 30 AFEERN N#Cc1ccccc1O[C@H]1C=CCC1 1225199045 1169827672 /nfs/dbraw/zinc/82/76/72/1169827672.db2.gz MOSWAEKLDZSAEO-NSHDSACASA-N 0 0 185.226 2.656 10 30 AFEERN CC[C@H](CC#N)[NH2+]C1(CC2CC2)CC1 1255162825 1169908602 /nfs/dbraw/zinc/90/86/02/1169908602.db2.gz ZONRPKVYRKOOLK-LLVKDONJSA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@@H](CC#N)[NH2+]C1(CC2CC2)CC1 1255162826 1169910423 /nfs/dbraw/zinc/91/04/23/1169910423.db2.gz ZONRPKVYRKOOLK-NSHDSACASA-N 0 0 192.306 2.601 10 30 AFEERN C=CCN(C(=O)CC1(C)CC1)C(C)C 1255799881 1169958450 /nfs/dbraw/zinc/95/84/50/1169958450.db2.gz HNLUAQFLBZFRTQ-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN N#CCCCn1ccc2c(N)cccc21 70569147 566259927 /nfs/dbraw/zinc/25/99/27/566259927.db2.gz HTFBFSPQNXRQJO-UHFFFAOYSA-N 0 0 199.257 2.527 10 30 AFEERN CCO/C=C/C(=O)c1sccc1C 69636033 566261146 /nfs/dbraw/zinc/26/11/46/566261146.db2.gz ISMXBHKLXUVNMR-GQCTYLIASA-N 0 0 196.271 2.789 10 30 AFEERN C=C(C)[C@@H](CO)Sc1ccccc1 196292163 566274848 /nfs/dbraw/zinc/27/48/48/566274848.db2.gz XJHTVKMEAXKFOU-LLVKDONJSA-N 0 0 194.299 2.716 10 30 AFEERN C=C(C)[C@H](CO)Sc1ccccc1 196292172 566274891 /nfs/dbraw/zinc/27/48/91/566274891.db2.gz XJHTVKMEAXKFOU-NSHDSACASA-N 0 0 194.299 2.716 10 30 AFEERN C=CCCCNC(=O)C1CCCCC1 196405079 566275238 /nfs/dbraw/zinc/27/52/38/566275238.db2.gz JCJHWBKVZQUXGX-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN N#CCc1cnc(C2CCCCC2)o1 261186034 566291325 /nfs/dbraw/zinc/29/13/25/566291325.db2.gz HRLXHHGJBVZALO-UHFFFAOYSA-N 0 0 190.246 2.788 10 30 AFEERN C=CCCCNC(=O)CC(C)(C)C 379392296 566305291 /nfs/dbraw/zinc/30/52/91/566305291.db2.gz RNXDHAGLAHCMPG-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN CC1(C)CCC2(CC1)OCC[C@H]2C#N 675079231 566311929 /nfs/dbraw/zinc/31/19/29/566311929.db2.gz BGZUZYPPOMAYEB-JTQLQIEISA-N 0 0 193.290 2.885 10 30 AFEERN CC1(C)CCC2(CC1)OCC[C@@H]2C#N 675079232 566312224 /nfs/dbraw/zinc/31/22/24/566312224.db2.gz BGZUZYPPOMAYEB-SNVBAGLBSA-N 0 0 193.290 2.885 10 30 AFEERN CCCC[C@H](CC)N[C@@H](C#N)CC 1257413108 1170013413 /nfs/dbraw/zinc/01/34/13/1170013413.db2.gz SPRDIFNXZHNJMF-WDEREUQCSA-N 0 0 182.311 2.847 10 30 AFEERN CCCC[C@@H](CC)N[C@H](C#N)CC 1257413106 1170013537 /nfs/dbraw/zinc/01/35/37/1170013537.db2.gz SPRDIFNXZHNJMF-MNOVXSKESA-N 0 0 182.311 2.847 10 30 AFEERN CCCC[C@@H](CC)N[C@@H](C#N)CC 1257413105 1170013971 /nfs/dbraw/zinc/01/39/71/1170013971.db2.gz SPRDIFNXZHNJMF-GHMZBOCLSA-N 0 0 182.311 2.847 10 30 AFEERN CCCC[C@H](CC)N[C@H](C#N)CC 1257413107 1170014344 /nfs/dbraw/zinc/01/43/44/1170014344.db2.gz SPRDIFNXZHNJMF-QWRGUYRKSA-N 0 0 182.311 2.847 10 30 AFEERN CCCC[C@@H](CC)N(C)[C@H](C)C#N 1257426066 1170016888 /nfs/dbraw/zinc/01/68/88/1170016888.db2.gz FVYOUNCLHKPTRC-GHMZBOCLSA-N 0 0 182.311 2.799 10 30 AFEERN CCCC[C@H](CC)N(C)[C@@H](C)C#N 1257426068 1170017040 /nfs/dbraw/zinc/01/70/40/1170017040.db2.gz FVYOUNCLHKPTRC-QWRGUYRKSA-N 0 0 182.311 2.799 10 30 AFEERN CCCC[C@@H](CC)N(C)[C@@H](C)C#N 1257426069 1170017682 /nfs/dbraw/zinc/01/76/82/1170017682.db2.gz FVYOUNCLHKPTRC-WDEREUQCSA-N 0 0 182.311 2.799 10 30 AFEERN CCCC[C@H](CC)N(C)[C@H](C)C#N 1257426067 1170017942 /nfs/dbraw/zinc/01/79/42/1170017942.db2.gz FVYOUNCLHKPTRC-MNOVXSKESA-N 0 0 182.311 2.799 10 30 AFEERN CCCCC[C@@H](CC)N[C@@H](C)C#N 1258439867 1170065821 /nfs/dbraw/zinc/06/58/21/1170065821.db2.gz XAMXDWCAUFNGEG-WDEREUQCSA-N 0 0 182.311 2.847 10 30 AFEERN CCCCC[C@H](CC)N[C@H](C)C#N 1258439863 1170066149 /nfs/dbraw/zinc/06/61/49/1170066149.db2.gz XAMXDWCAUFNGEG-MNOVXSKESA-N 0 0 182.311 2.847 10 30 AFEERN CCCCC[C@@H](CC)N[C@H](C)C#N 1258439862 1170067496 /nfs/dbraw/zinc/06/74/96/1170067496.db2.gz XAMXDWCAUFNGEG-GHMZBOCLSA-N 0 0 182.311 2.847 10 30 AFEERN CCCCC[C@H](CC)N[C@@H](C)C#N 1258439865 1170067946 /nfs/dbraw/zinc/06/79/46/1170067946.db2.gz XAMXDWCAUFNGEG-QWRGUYRKSA-N 0 0 182.311 2.847 10 30 AFEERN C[C@@H](CC1CC1)N1CCCC[C@@H]1C#N 1258467906 1170075842 /nfs/dbraw/zinc/07/58/42/1170075842.db2.gz PBRYGYRXUVQBIP-CMPLNLGQSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@H](CC1CC1)N1CCCC[C@H]1C#N 1258467908 1170076410 /nfs/dbraw/zinc/07/64/10/1170076410.db2.gz PBRYGYRXUVQBIP-PWSUYJOCSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@H](CC1CC1)N1CCCC[C@@H]1C#N 1258467909 1170076737 /nfs/dbraw/zinc/07/67/37/1170076737.db2.gz PBRYGYRXUVQBIP-ZYHUDNBSSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@@H](CC1CC1)N1CCCC[C@H]1C#N 1258467907 1170076758 /nfs/dbraw/zinc/07/67/58/1170076758.db2.gz PBRYGYRXUVQBIP-JQWIXIFHSA-N 0 0 192.306 2.553 10 30 AFEERN C=CCCSCC[C@H]1CCOC1 1261380387 1170112129 /nfs/dbraw/zinc/11/21/29/1170112129.db2.gz FWSXGZRSXOEIOM-SNVBAGLBSA-N 0 0 186.320 2.722 10 30 AFEERN CC(C)OC1CC(=NOC(C)(C)C)C1 1261236393 1170112462 /nfs/dbraw/zinc/11/24/62/1170112462.db2.gz HFHWKQABIVHXHS-UHFFFAOYSA-N 0 0 199.294 2.745 10 30 AFEERN CC[C@H](C)CC=NNCC(C)C 1261277507 1170112899 /nfs/dbraw/zinc/11/28/99/1170112899.db2.gz ASDVKJMGTKLWDY-JTQLQIEISA-N 0 0 170.300 2.654 10 30 AFEERN CC(C)ON=Cc1cccn1C1CC1 1261277509 1170112929 /nfs/dbraw/zinc/11/29/29/1170112929.db2.gz ASICZAYQTGAJTK-UHFFFAOYSA-N 0 0 192.262 2.582 10 30 AFEERN Cc1cnccc1C=NOC(C)(C)C 1261277557 1170112975 /nfs/dbraw/zinc/11/29/75/1170112975.db2.gz CORVTRKRGALPDP-UHFFFAOYSA-N 0 0 192.262 2.539 10 30 AFEERN C=CCCSCC[C@@H]1CCOC1 1261380386 1170113135 /nfs/dbraw/zinc/11/31/35/1170113135.db2.gz FWSXGZRSXOEIOM-JTQLQIEISA-N 0 0 186.320 2.722 10 30 AFEERN CC[C@@H](C)CC=NNCC(C)C 1261277508 1170113286 /nfs/dbraw/zinc/11/32/86/1170113286.db2.gz ASDVKJMGTKLWDY-SNVBAGLBSA-N 0 0 170.300 2.654 10 30 AFEERN COC1(C(C)=NOC(C)(C)C)CCC1 1261653117 1170118184 /nfs/dbraw/zinc/11/81/84/1170118184.db2.gz AYWVDZZLRGWHNA-UHFFFAOYSA-N 0 0 199.294 2.747 10 30 AFEERN CC(C)(C)ON=C1CCOC(C)(C)C1 1261894712 1170120661 /nfs/dbraw/zinc/12/06/61/1170120661.db2.gz HJYJDGNMPSDSNV-UHFFFAOYSA-N 0 0 199.294 2.747 10 30 AFEERN C#CCCCC(C)=NOC(C)(C)C 1261833091 1170120742 /nfs/dbraw/zinc/12/07/42/1170120742.db2.gz LVSRJIPHMMEUOR-UHFFFAOYSA-N 0 0 181.279 2.981 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)CCC(=C)C 1262643813 1170134549 /nfs/dbraw/zinc/13/45/49/1170134549.db2.gz FMRHASAUMYCIRD-LLVKDONJSA-N 0 0 193.290 2.520 10 30 AFEERN C=CCNC(=O)C1(C)CCC(C)CC1 1262560877 1170132734 /nfs/dbraw/zinc/13/27/34/1170132734.db2.gz FRBOHNXJOFQOCU-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)CCC(=O)N(CC)CCC 1262594842 1170135349 /nfs/dbraw/zinc/13/53/49/1170135349.db2.gz DDKWWOFUYCOAGD-UHFFFAOYSA-N 0 0 183.295 2.601 10 30 AFEERN C=CC[C@H]1CCN1C(=O)CCC(=C)C 1262643814 1170135696 /nfs/dbraw/zinc/13/56/96/1170135696.db2.gz FMRHASAUMYCIRD-NSHDSACASA-N 0 0 193.290 2.520 10 30 AFEERN C#CC[C@@H](C)OC(=O)CCCC(C)C 1263384025 1170142265 /nfs/dbraw/zinc/14/22/65/1170142265.db2.gz KQWLAWRMKMRWDX-LLVKDONJSA-N 0 0 196.290 2.768 10 30 AFEERN C#CC[C@H](C)OC(=O)CCCC(C)C 1263384026 1170142936 /nfs/dbraw/zinc/14/29/36/1170142936.db2.gz KQWLAWRMKMRWDX-NSHDSACASA-N 0 0 196.290 2.768 10 30 AFEERN C=C(C)CCC(=O)OC1(C2CC2)CC1 1263393920 1170143821 /nfs/dbraw/zinc/14/38/21/1170143821.db2.gz HZECGSDJDZNZOO-UHFFFAOYSA-N 0 0 194.274 2.829 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@@H](C)CCC 1263703866 1170147057 /nfs/dbraw/zinc/14/70/57/1170147057.db2.gz DSYPPJOWNYYMGT-NSHDSACASA-N 0 0 197.322 2.894 10 30 AFEERN C=C(CC(C)C)C(=O)NCCCC 1263699108 1170147168 /nfs/dbraw/zinc/14/71/68/1170147168.db2.gz FDUURTVSGBDWLI-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=C(CC)C(=O)N(C)c1ccccc1 1263699213 1170147218 /nfs/dbraw/zinc/14/72/18/1170147218.db2.gz HVMQYDLRRZBSFN-UHFFFAOYSA-N 0 0 189.258 2.616 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@H](C)CCC 1263703865 1170147332 /nfs/dbraw/zinc/14/73/32/1170147332.db2.gz DSYPPJOWNYYMGT-LLVKDONJSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(CC)CNC(=O)C(=C)CC(C)C 1263839511 1170148103 /nfs/dbraw/zinc/14/81/03/1170148103.db2.gz DFQGOWNORXXJIZ-UHFFFAOYSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)CCC(=O)NCC1CCCC1 1264496491 1170148842 /nfs/dbraw/zinc/14/88/42/1170148842.db2.gz LZUBNQQMRGRUPE-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CC(C)(C)NC(=O)C(=C)CC(C)C 1263965073 1170148755 /nfs/dbraw/zinc/14/87/55/1170148755.db2.gz GKRNAHAQHATBPD-UHFFFAOYSA-N 0 0 195.306 2.670 10 30 AFEERN C=C(CC)C(=O)N1CCCCC[C@@H]1C 1296653322 1170174596 /nfs/dbraw/zinc/17/45/96/1170174596.db2.gz RLFIJYYDZQPAHL-NSHDSACASA-N 0 0 195.306 2.744 10 30 AFEERN C=C(CC)C(=O)N1CCCCC[C@H]1C 1296653321 1170174895 /nfs/dbraw/zinc/17/48/95/1170174895.db2.gz RLFIJYYDZQPAHL-LLVKDONJSA-N 0 0 195.306 2.744 10 30 AFEERN C=C(C)c1cccc(NC(=O)C#CC)c1 1304717699 1170178185 /nfs/dbraw/zinc/17/81/85/1170178185.db2.gz FAXVDPZONOIFFH-UHFFFAOYSA-N 0 0 199.253 2.682 10 30 AFEERN CCC#C[C@H](C)S[C@H]1CCO[C@H]1C 1307326226 1170180420 /nfs/dbraw/zinc/18/04/20/1170180420.db2.gz LOXRJTXUOXSIOP-DCAQKATOSA-N 0 0 198.331 2.699 10 30 AFEERN CCC#C[C@H](C)S[C@@H]1CCO[C@H]1C 1307326228 1170180671 /nfs/dbraw/zinc/18/06/71/1170180671.db2.gz LOXRJTXUOXSIOP-GARJFASQSA-N 0 0 198.331 2.699 10 30 AFEERN CCC#C[C@H](C)S[C@@H]1CCO[C@@H]1C 1307326229 1170180883 /nfs/dbraw/zinc/18/08/83/1170180883.db2.gz LOXRJTXUOXSIOP-HBNTYKKESA-N 0 0 198.331 2.699 10 30 AFEERN CCC#C[C@H](C)S[C@H]1CCO[C@@H]1C 1307326222 1170181119 /nfs/dbraw/zinc/18/11/19/1170181119.db2.gz LOXRJTXUOXSIOP-AXFHLTTASA-N 0 0 198.331 2.699 10 30 AFEERN C=C(C)CSc1cccnc1C#N 1307342798 1170181282 /nfs/dbraw/zinc/18/12/82/1170181282.db2.gz PJFFYVHSOATDCG-UHFFFAOYSA-N 0 0 190.271 2.621 10 30 AFEERN CC#CCN(c1ccccc1)C1CC1 1307769579 1170182710 /nfs/dbraw/zinc/18/27/10/1170182710.db2.gz GFYQIAJTNXZAHT-UHFFFAOYSA-N 0 0 185.270 2.679 10 30 AFEERN CCC(C)=NNCc1ccc(F)cc1 1319193279 1170196877 /nfs/dbraw/zinc/19/68/77/1170196877.db2.gz DNEMOAZSIYIAQX-UHFFFAOYSA-N 0 0 194.253 2.701 10 30 AFEERN CCON=Cc1ccc2c(c1)CCC2 1318775963 1170198075 /nfs/dbraw/zinc/19/80/75/1170198075.db2.gz GZQNYEMCRXKILZ-UHFFFAOYSA-N 0 0 189.258 2.546 10 30 AFEERN Cc1ccc(C=NOC(C)(C)C)nc1 1319684458 1170202220 /nfs/dbraw/zinc/20/22/20/1170202220.db2.gz FVQBRJFTKUDNKJ-UHFFFAOYSA-N 0 0 192.262 2.539 10 30 AFEERN Cc1cc(C=NOCC(C)C)c(C)o1 1319772489 1170202247 /nfs/dbraw/zinc/20/22/47/1170202247.db2.gz CSIQBJREFSATLA-UHFFFAOYSA-N 0 0 195.262 2.903 10 30 AFEERN CC(=NOC(C)(C)C)c1cccnc1 1319683893 1170203017 /nfs/dbraw/zinc/20/30/17/1170203017.db2.gz AOEXOYHPZMSDQD-UHFFFAOYSA-N 0 0 192.262 2.621 10 30 AFEERN CC(C)[C@H](C#N)C=NOC1CCCC1 1319909446 1170205010 /nfs/dbraw/zinc/20/50/10/1170205010.db2.gz FFUGNPJBWRNMPQ-SNVBAGLBSA-N 0 0 194.278 2.727 10 30 AFEERN CC(C)[C@@H](C#N)C=NOC1CCCC1 1319909445 1170205734 /nfs/dbraw/zinc/20/57/34/1170205734.db2.gz FFUGNPJBWRNMPQ-JTQLQIEISA-N 0 0 194.278 2.727 10 30 AFEERN CC(C)(C)ON=Cc1ccc(F)cc1 1319802521 1170205989 /nfs/dbraw/zinc/20/59/89/1170205989.db2.gz GNXSKDWXUQRVDC-UHFFFAOYSA-N 0 0 195.237 2.975 10 30 AFEERN CC[C@@H](C)CON=CC1(OC)CCC1 1324100550 1170220415 /nfs/dbraw/zinc/22/04/15/1170220415.db2.gz HGZOESKCXMYLGZ-SNVBAGLBSA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)(C)ON=C1CCC[C@H](C#N)C1 1324207017 1170220466 /nfs/dbraw/zinc/22/04/66/1170220466.db2.gz HFQMWPJKGOYFCU-VIFPVBQESA-N 0 0 194.278 2.871 10 30 AFEERN CC(C)(C)ON=C1CCC[C@@H](C#N)C1 1324207016 1170221038 /nfs/dbraw/zinc/22/10/38/1170221038.db2.gz HFQMWPJKGOYFCU-SECBINFHSA-N 0 0 194.278 2.871 10 30 AFEERN CC[C@H](C)CON=CC1(OC)CCC1 1324100549 1170221643 /nfs/dbraw/zinc/22/16/43/1170221643.db2.gz HGZOESKCXMYLGZ-JTQLQIEISA-N 0 0 199.294 2.604 10 30 AFEERN CCON=CCCc1ccc(F)cc1 1325276823 1170229701 /nfs/dbraw/zinc/22/97/01/1170229701.db2.gz BJRDGHCRDRYQAM-UHFFFAOYSA-N 0 0 195.237 2.781 10 30 AFEERN CC[C@@](C)(C=NOC(C)(C)C)OC 1325317436 1170231426 /nfs/dbraw/zinc/23/14/26/1170231426.db2.gz APGVLBIZBWCLMQ-JTQLQIEISA-N 0 0 187.283 2.602 10 30 AFEERN CC[C@](C)(C=NOC(C)(C)C)OC 1325317437 1170232935 /nfs/dbraw/zinc/23/29/35/1170232935.db2.gz APGVLBIZBWCLMQ-SNVBAGLBSA-N 0 0 187.283 2.602 10 30 AFEERN CC[C@@H](C)c1nnc([C@@H](C)CC#N)o1 1327040406 1170243777 /nfs/dbraw/zinc/24/37/77/1170243777.db2.gz VOKDCBSJBRQNCY-SFYZADRCSA-N 0 0 193.250 2.600 10 30 AFEERN CC[C@H](C)c1nnc([C@H](C)CC#N)o1 1327040405 1170244091 /nfs/dbraw/zinc/24/40/91/1170244091.db2.gz VOKDCBSJBRQNCY-JGVFFNPUSA-N 0 0 193.250 2.600 10 30 AFEERN CC[C@H](C)c1nnc([C@@H](C)CC#N)o1 1327040407 1170244249 /nfs/dbraw/zinc/24/42/49/1170244249.db2.gz VOKDCBSJBRQNCY-YUMQZZPRSA-N 0 0 193.250 2.600 10 30 AFEERN CC[C@@H](C)c1nnc([C@H](C)CC#N)o1 1327040404 1170244908 /nfs/dbraw/zinc/24/49/08/1170244908.db2.gz VOKDCBSJBRQNCY-HTQZYQBOSA-N 0 0 193.250 2.600 10 30 AFEERN C=CCCOC(=O)[C@@H]1CCC[C@H]2C[C@H]21 1327519340 1170249433 /nfs/dbraw/zinc/24/94/33/1170249433.db2.gz MZADCPWDTPJCMW-HBNTYKKESA-N 0 0 194.274 2.542 10 30 AFEERN CC(C)(C)ON=C1CCC[C@@H]2C[C@H]12 1327459686 1170251062 /nfs/dbraw/zinc/25/10/62/1170251062.db2.gz GKQUBSAUMHVZPC-BDAKNGLRSA-N 0 0 181.279 2.978 10 30 AFEERN C=CCCOC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 1327519341 1170251686 /nfs/dbraw/zinc/25/16/86/1170251686.db2.gz MZADCPWDTPJCMW-MXWKQRLJSA-N 0 0 194.274 2.542 10 30 AFEERN CC(C)(C)ON=C[C@H]1CCCOCC1 1328570391 1170264119 /nfs/dbraw/zinc/26/41/19/1170264119.db2.gz QKZGYTPBHQBGFL-JTQLQIEISA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)(C)ON=C[C@@H]1CCCOCC1 1328570392 1170264125 /nfs/dbraw/zinc/26/41/25/1170264125.db2.gz QKZGYTPBHQBGFL-SNVBAGLBSA-N 0 0 199.294 2.604 10 30 AFEERN C=CCCCc1nnc(C(C)(C)C)o1 1329260969 1170267239 /nfs/dbraw/zinc/26/72/39/1170267239.db2.gz BPHNGGYSBDKBHR-UHFFFAOYSA-N 0 0 194.278 2.876 10 30 AFEERN CC(=NOC(C)(C)C)c1ccns1 1329556636 1170270101 /nfs/dbraw/zinc/27/01/01/1170270101.db2.gz JDGXKZNOPRWMLS-UHFFFAOYSA-N 0 0 198.291 2.682 10 30 AFEERN C=C(Cl)Cn1ccc(CCC)n1 1330058324 1170275092 /nfs/dbraw/zinc/27/50/92/1170275092.db2.gz DWJUCASTAKCIQQ-UHFFFAOYSA-N 0 0 184.670 2.588 10 30 AFEERN C=CC(C)(C)c1nnc(C(C)(C)C)o1 1330092064 1170276074 /nfs/dbraw/zinc/27/60/74/1170276074.db2.gz HCPWGTDETZLHIA-UHFFFAOYSA-N 0 0 194.278 2.831 10 30 AFEERN N#CCCCSCc1cncs1 1330686069 1170281613 /nfs/dbraw/zinc/28/16/13/1170281613.db2.gz VNLXGZAMYCXGRR-UHFFFAOYSA-N 0 0 198.316 2.680 10 30 AFEERN C=C(C)CON=Cc1cc(C)co1 1330889124 1170286139 /nfs/dbraw/zinc/28/61/39/1170286139.db2.gz SUCYAHHULPMBTE-UHFFFAOYSA-N 0 0 179.219 2.515 10 30 AFEERN C=CC[C@H](C)OC(=O)CC1(C)CC1 1331319697 1170289273 /nfs/dbraw/zinc/28/92/73/1170289273.db2.gz PVKZTRRHVQAMAA-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)CC1CCC1 1331317828 1170290436 /nfs/dbraw/zinc/29/04/36/1170290436.db2.gz CJOVPCILPOAURI-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)CC1(C)CC1 1331319695 1170290824 /nfs/dbraw/zinc/29/08/24/1170290824.db2.gz PVKZTRRHVQAMAA-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)CC1CCC1 1331317854 1170291484 /nfs/dbraw/zinc/29/14/84/1170291484.db2.gz CJOVPCILPOAURI-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H]1C 1333070955 1170315577 /nfs/dbraw/zinc/31/55/77/1170315577.db2.gz LJCKFANFHRDYDB-ZJUUUORDSA-N 0 0 195.306 2.503 10 30 AFEERN CC[C@H](C)c1nnc(C#CC(C)C)o1 1333110465 1170315873 /nfs/dbraw/zinc/31/58/73/1170315873.db2.gz HKCANGHMMQSNOW-VIFPVBQESA-N 0 0 192.262 2.591 10 30 AFEERN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H]1C 1333070953 1170316072 /nfs/dbraw/zinc/31/60/72/1170316072.db2.gz LJCKFANFHRDYDB-UWVGGRQHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]1C 1333070954 1170316410 /nfs/dbraw/zinc/31/64/10/1170316410.db2.gz LJCKFANFHRDYDB-VHSXEESVSA-N 0 0 195.306 2.503 10 30 AFEERN CC[C@@H](C)c1nnc(C#CC(C)C)o1 1333110464 1170317462 /nfs/dbraw/zinc/31/74/62/1170317462.db2.gz HKCANGHMMQSNOW-SECBINFHSA-N 0 0 192.262 2.591 10 30 AFEERN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H]1C 1333070952 1170318580 /nfs/dbraw/zinc/31/85/80/1170318580.db2.gz LJCKFANFHRDYDB-NXEZZACHSA-N 0 0 195.306 2.503 10 30 AFEERN CCCCCCN(O)C(=O)CC1CC1 1333207121 1170319250 /nfs/dbraw/zinc/31/92/50/1170319250.db2.gz WLBHPZKTKXURKI-UHFFFAOYSA-N 0 0 199.294 2.585 10 30 AFEERN C=CC(C)(C)NC(=O)CCC1(C)CC1 1333581667 1170325081 /nfs/dbraw/zinc/32/50/81/1170325081.db2.gz USBOHPHPKRVGQX-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN CC(C)CNN=C[C@@H]1CC[C@@H]2C[C@@H]2C1 1333701179 1170327637 /nfs/dbraw/zinc/32/76/37/1170327637.db2.gz UECKXTBBXCVKCB-UTUOFQBUSA-N 0 0 194.322 2.654 10 30 AFEERN C=CC(C)(C)NC(=O)CC1CCCC1 1333628445 1170328319 /nfs/dbraw/zinc/32/83/19/1170328319.db2.gz WMLNGKWFCAYYDG-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN CC(C)CNN=C[C@@H]1CC[C@H]2C[C@H]2C1 1333701177 1170329128 /nfs/dbraw/zinc/32/91/28/1170329128.db2.gz UECKXTBBXCVKCB-GRYCIOLGSA-N 0 0 194.322 2.654 10 30 AFEERN C=C[C@H](CC)CC(=O)N[C@@H]1CC[C@@H]1C 1333969656 1170333461 /nfs/dbraw/zinc/33/34/61/1170333461.db2.gz ODBHNXMRUQOSKO-HBNTYKKESA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@H](CC)CC(=O)N[C@H]1CC[C@@H]1C 1333969653 1170333520 /nfs/dbraw/zinc/33/35/20/1170333520.db2.gz ODBHNXMRUQOSKO-AXFHLTTASA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@H](CC)CC(=O)N[C@@H]1CC[C@H]1C 1333969654 1170334006 /nfs/dbraw/zinc/33/40/06/1170334006.db2.gz ODBHNXMRUQOSKO-GMTAPVOTSA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H]1C 1333969658 1170336341 /nfs/dbraw/zinc/33/63/41/1170336341.db2.gz ODBHNXMRUQOSKO-MXWKQRLJSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H](C)[C@H](C)CC 1334065766 1170336647 /nfs/dbraw/zinc/33/66/47/1170336647.db2.gz DXDCICGMWGDORD-NXEZZACHSA-N 0 0 197.322 2.749 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H](C)[C@H](C)CC 1334065769 1170338163 /nfs/dbraw/zinc/33/81/63/1170338163.db2.gz DXDCICGMWGDORD-ZJUUUORDSA-N 0 0 197.322 2.749 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H](C)[C@@H](C)CC 1334065767 1170338436 /nfs/dbraw/zinc/33/84/36/1170338436.db2.gz DXDCICGMWGDORD-UWVGGRQHSA-N 0 0 197.322 2.749 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H](C)[C@@H](C)CC 1334065768 1170339832 /nfs/dbraw/zinc/33/98/32/1170339832.db2.gz DXDCICGMWGDORD-VHSXEESVSA-N 0 0 197.322 2.749 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H]1CC[C@@H](C)C1 1334842564 1170346913 /nfs/dbraw/zinc/34/69/13/1170346913.db2.gz GEECGNJFSQBILK-NXEZZACHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H]1CC[C@H](C)C1 1334842565 1170347102 /nfs/dbraw/zinc/34/71/02/1170347102.db2.gz GEECGNJFSQBILK-UWVGGRQHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H]1CC[C@@H](C)C1 1334842567 1170348075 /nfs/dbraw/zinc/34/80/75/1170348075.db2.gz GEECGNJFSQBILK-ZJUUUORDSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H]1CC[C@H](C)C1 1334842566 1170348185 /nfs/dbraw/zinc/34/81/85/1170348185.db2.gz GEECGNJFSQBILK-VHSXEESVSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)C[C@@H](C)CCC 1334843331 1170348438 /nfs/dbraw/zinc/34/84/38/1170348438.db2.gz SKSFUCQKHTZYAP-JTQLQIEISA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)C[C@H](C)CCC 1334843332 1170348444 /nfs/dbraw/zinc/34/84/44/1170348444.db2.gz SKSFUCQKHTZYAP-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)C1=CCCCC1 1335216216 1170350554 /nfs/dbraw/zinc/35/05/54/1170350554.db2.gz LYYANFWVVCWGOC-UHFFFAOYSA-N 0 0 193.290 2.568 10 30 AFEERN C=C/C(C)=C/CC(=O)NC(C)(C)C=C 1335373628 1170356870 /nfs/dbraw/zinc/35/68/70/1170356870.db2.gz OXMVKYVBUZRBSM-CSKARUKUSA-N 0 0 193.290 2.590 10 30 AFEERN C=C/C(C)=C\CC(=O)NC(C)(C)C=C 1335373629 1170357232 /nfs/dbraw/zinc/35/72/32/1170357232.db2.gz OXMVKYVBUZRBSM-NTMALXAHSA-N 0 0 193.290 2.590 10 30 AFEERN CCC(=NOC(C)(C)C)[C@@H]1CCOC1 1336226961 1170368776 /nfs/dbraw/zinc/36/87/76/1170368776.db2.gz FADSZCLQDRYZFJ-SECBINFHSA-N 0 0 199.294 2.604 10 30 AFEERN CCC(=NOC(C)(C)C)[C@H]1CCOC1 1336226962 1170369447 /nfs/dbraw/zinc/36/94/47/1170369447.db2.gz FADSZCLQDRYZFJ-VIFPVBQESA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)(C)ON=Cc1ccccc1F 1336203872 1170369802 /nfs/dbraw/zinc/36/98/02/1170369802.db2.gz CVWIHULJICSFHT-UHFFFAOYSA-N 0 0 195.237 2.975 10 30 AFEERN C=C(C)CCC(=O)N(CC)CC1CC1 1336346307 1170371433 /nfs/dbraw/zinc/37/14/33/1170371433.db2.gz FSLRQHJXVFFTQB-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CC(C)(C)C(=O)N[C@H](C)C1(C)CC1 1337521190 1170394074 /nfs/dbraw/zinc/39/40/74/1170394074.db2.gz DBEKYYLSJBYNRQ-SECBINFHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)C(=O)N[C@@H](C)C1(C)CC1 1337521191 1170395297 /nfs/dbraw/zinc/39/52/97/1170395297.db2.gz DBEKYYLSJBYNRQ-VIFPVBQESA-N 0 0 195.306 2.503 10 30 AFEERN C=CCCCC(=O)N(C)CC1CCC1 1337646493 1170396759 /nfs/dbraw/zinc/39/67/59/1170396759.db2.gz DZESQXQAALBLBY-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C1CCN(c2cc(C)ccn2)CC1 1337850610 1170399702 /nfs/dbraw/zinc/39/97/02/1170399702.db2.gz APESVIZQPRSJSY-UHFFFAOYSA-N 0 0 188.274 2.546 10 30 AFEERN C=C[C@H](C)Nc1cc(F)cc(C)n1 1337887078 1170402904 /nfs/dbraw/zinc/40/29/04/1170402904.db2.gz BKRJQNKCMLUNLI-ZETCQYMHSA-N 0 0 180.226 2.516 10 30 AFEERN C=C[C@@H](C)Nc1cc(F)cc(C)n1 1337887076 1170403525 /nfs/dbraw/zinc/40/35/25/1170403525.db2.gz BKRJQNKCMLUNLI-SSDOTTSWSA-N 0 0 180.226 2.516 10 30 AFEERN C=C(C)CCC(=O)N[C@H](C)C(C)(C)C 1338070321 1170405873 /nfs/dbraw/zinc/40/58/73/1170405873.db2.gz VJITUHLNWPTQPA-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)/C(C)=C(\C)CC 1338278076 1170407501 /nfs/dbraw/zinc/40/75/01/1170407501.db2.gz PEMIAJDHEABUGL-MDZDMXLPSA-N 0 0 195.306 2.814 10 30 AFEERN C=CC(C)(C)NC(=O)/C(C)=C(/C)CC 1338278074 1170407104 /nfs/dbraw/zinc/40/71/04/1170407104.db2.gz PEMIAJDHEABUGL-KTKRTIGZSA-N 0 0 195.306 2.814 10 30 AFEERN C=C(C)CCC(=O)NCC1(C)CCC1 1338403186 1170411853 /nfs/dbraw/zinc/41/18/53/1170411853.db2.gz HZFLMRAYUZJVAI-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=C(C)CCC(=O)NC1(CC)CCC1 1338889220 1170412924 /nfs/dbraw/zinc/41/29/24/1170412924.db2.gz QACAMWXQILPFMQ-UHFFFAOYSA-N 0 0 195.306 2.792 10 30 AFEERN C=C(C)CCC(=O)N1CCCC1(C)C 1338868216 1170413220 /nfs/dbraw/zinc/41/32/20/1170413220.db2.gz MPZSWIVDMYCSPB-UHFFFAOYSA-N 0 0 195.306 2.744 10 30 AFEERN C=C(C)CCC(=O)N[C@H](C)C1(C)CC1 1339153551 1170416604 /nfs/dbraw/zinc/41/66/04/1170416604.db2.gz SSHMKURHXAXTCW-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)CCC(=O)N[C@@H](C)C1(C)CC1 1339153550 1170416838 /nfs/dbraw/zinc/41/68/38/1170416838.db2.gz SSHMKURHXAXTCW-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=CCC[C@@H]1CCCN1C(=O)CCC 1339280261 1170417931 /nfs/dbraw/zinc/41/79/31/1170417931.db2.gz HGHGJDFIISKPEJ-LLVKDONJSA-N 0 0 195.306 2.744 10 30 AFEERN C=CCC[C@H]1CCCN1C(=O)CCC 1339280263 1170418619 /nfs/dbraw/zinc/41/86/19/1170418619.db2.gz HGHGJDFIISKPEJ-NSHDSACASA-N 0 0 195.306 2.744 10 30 AFEERN C=CC(C)(C)NC(=O)C[C@@H](C)C1CC1 1342710240 1170449167 /nfs/dbraw/zinc/44/91/67/1170449167.db2.gz WNRNJIPDYDBXET-SECBINFHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)C[C@H](C)C1CC1 1342710243 1170449357 /nfs/dbraw/zinc/44/93/57/1170449357.db2.gz WNRNJIPDYDBXET-VIFPVBQESA-N 0 0 195.306 2.503 10 30 AFEERN C#CC[C@H](C)OC(=O)CC(C)(C)C=C 1342726006 1170449655 /nfs/dbraw/zinc/44/96/55/1170449655.db2.gz BZNDZFUDKUXDRI-JTQLQIEISA-N 0 0 194.274 2.544 10 30 AFEERN C=CCCCN(CC)C(=O)CC1CC1 1342694611 1170450006 /nfs/dbraw/zinc/45/00/06/1170450006.db2.gz WRLSQRSGNKVRCH-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C#CC[C@@H](C)OC(=O)CC(C)(C)C=C 1342726009 1170450795 /nfs/dbraw/zinc/45/07/95/1170450795.db2.gz BZNDZFUDKUXDRI-SNVBAGLBSA-N 0 0 194.274 2.544 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H]1CC=CCC1 1343394125 1170456783 /nfs/dbraw/zinc/45/67/83/1170456783.db2.gz DZHRBVKIJRWZKO-QWRGUYRKSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H]1CC=CCC1 1343394127 1170457724 /nfs/dbraw/zinc/45/77/24/1170457724.db2.gz DZHRBVKIJRWZKO-WDEREUQCSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@@H]1CC=CCC1 1343394122 1170458056 /nfs/dbraw/zinc/45/80/56/1170458056.db2.gz DZHRBVKIJRWZKO-GHMZBOCLSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@H]1CC=CCC1 1343394124 1170458267 /nfs/dbraw/zinc/45/82/67/1170458267.db2.gz DZHRBVKIJRWZKO-MNOVXSKESA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)CCC(=O)OCC=C(C)C 1343852279 1170459849 /nfs/dbraw/zinc/45/98/49/1170459849.db2.gz HZRPTVSKXAJLSZ-UHFFFAOYSA-N 0 0 182.263 2.852 10 30 AFEERN C=C(C)CC[C@H](C)OC(=O)CCF 1343955074 1170460323 /nfs/dbraw/zinc/46/03/23/1170460323.db2.gz VZCPRQNUGQBZPV-VIFPVBQESA-N 0 0 188.242 2.634 10 30 AFEERN C=C(C)CC[C@@H](C)OC(=O)CCF 1343955073 1170460351 /nfs/dbraw/zinc/46/03/51/1170460351.db2.gz VZCPRQNUGQBZPV-SECBINFHSA-N 0 0 188.242 2.634 10 30 AFEERN C=C(C)CCC(=O)OCCC1CC1 1344097299 1170462433 /nfs/dbraw/zinc/46/24/33/1170462433.db2.gz DWJAXZDZOFJBNT-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@@H]1C[C@H]1C1CC1 1344074820 1170463018 /nfs/dbraw/zinc/46/30/18/1170463018.db2.gz LITRSKUWPGSXRA-MIMYLULJSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H]1C[C@H]1C1CC1 1344074819 1170463618 /nfs/dbraw/zinc/46/36/18/1170463618.db2.gz LITRSKUWPGSXRA-LSJOCFKGSA-N 0 0 194.274 2.540 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@]1(C)C=CCC1 1344701861 1170464046 /nfs/dbraw/zinc/46/40/46/1170464046.db2.gz FEGRPUBJDUHZQB-CMPLNLGQSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@]1(C)C=CCC1 1344701863 1170465138 /nfs/dbraw/zinc/46/51/38/1170465138.db2.gz FEGRPUBJDUHZQB-PWSUYJOCSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@]1(C)C=CCC1 1344701862 1170465608 /nfs/dbraw/zinc/46/56/08/1170465608.db2.gz FEGRPUBJDUHZQB-JQWIXIFHSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@]1(C)C=CCC1 1344701864 1170465800 /nfs/dbraw/zinc/46/58/00/1170465800.db2.gz FEGRPUBJDUHZQB-ZYHUDNBSSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1(C2CC2)CC1 1344714748 1170466608 /nfs/dbraw/zinc/46/66/08/1170466608.db2.gz VMQXMPOGXNMAHL-VIFPVBQESA-N 0 0 194.274 2.684 10 30 AFEERN C=C(C)CCC(=O)OCC1=CCCC1 1344884611 1170466964 /nfs/dbraw/zinc/46/69/64/1170466964.db2.gz CTCKZEMOYDSQIZ-UHFFFAOYSA-N 0 0 194.274 2.996 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1(C2CC2)CC1 1344714747 1170468016 /nfs/dbraw/zinc/46/80/16/1170468016.db2.gz VMQXMPOGXNMAHL-SECBINFHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@@H](CC)OC(=O)C1(C)CC=CC1 1345340019 1170469303 /nfs/dbraw/zinc/46/93/03/1170469303.db2.gz LKWVOJHPVRZDCJ-JTQLQIEISA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](CC)CC(=O)O[C@H]1C=CCC1 1345401001 1170469488 /nfs/dbraw/zinc/46/94/88/1170469488.db2.gz FXXYKURRCHXMJS-MNOVXSKESA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@@H](CC)CC(=O)O[C@@H]1C=CCC1 1345401003 1170469522 /nfs/dbraw/zinc/46/95/22/1170469522.db2.gz FXXYKURRCHXMJS-WDEREUQCSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](CC)CC(=O)O[C@@H]1C=CCC1 1345401000 1170469638 /nfs/dbraw/zinc/46/96/38/1170469638.db2.gz FXXYKURRCHXMJS-GHMZBOCLSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](CC)OC(=O)C1(C)CC=CC1 1345340020 1170469783 /nfs/dbraw/zinc/46/97/83/1170469783.db2.gz LKWVOJHPVRZDCJ-SNVBAGLBSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@@H](CC)CC(=O)O[C@H]1C=CCC1 1345401002 1170471031 /nfs/dbraw/zinc/47/10/31/1170471031.db2.gz FXXYKURRCHXMJS-QWRGUYRKSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(CC(C)C)C(=O)NCCC(C)C 1345490685 1170472774 /nfs/dbraw/zinc/47/27/74/1170472774.db2.gz FSDFGSRWUSKWTM-UHFFFAOYSA-N 0 0 197.322 2.751 10 30 AFEERN C=C(C)CCC(=O)OCC(C)(C)F 1345702398 1170473760 /nfs/dbraw/zinc/47/37/60/1170473760.db2.gz DWQZVSAWWKBJTC-UHFFFAOYSA-N 0 0 188.242 2.634 10 30 AFEERN C=C(CC)C(=O)N(C)CC1CCCC1 1345822586 1170475321 /nfs/dbraw/zinc/47/53/21/1170475321.db2.gz DPOWXRJXKLRZIS-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(CC(C)C)C(=O)NCCCCC 1346059152 1170476749 /nfs/dbraw/zinc/47/67/49/1170476749.db2.gz BOIHPAORUJJZGJ-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=C(CC)C(=O)N(CC1CC1)C(C)C 1346173011 1170478686 /nfs/dbraw/zinc/47/86/86/1170478686.db2.gz IEUUZEWPNGYXHI-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N(C)[C@H](C)C(C)(C)C 1346151922 1170478909 /nfs/dbraw/zinc/47/89/09/1170478909.db2.gz CYPWDCMKFNPFKG-SNVBAGLBSA-N 0 0 197.322 2.846 10 30 AFEERN C=C(CC)C(=O)N(C)[C@@H](C)C(C)(C)C 1346151906 1170479270 /nfs/dbraw/zinc/47/92/70/1170479270.db2.gz CYPWDCMKFNPFKG-JTQLQIEISA-N 0 0 197.322 2.846 10 30 AFEERN C=C(CC(C)C)C(=O)NCCC1CC1 1346190430 1170479390 /nfs/dbraw/zinc/47/93/90/1170479390.db2.gz JTVVPGJFLSYXSW-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(CC(C)C)C(=O)N1CCC1(C)C 1346487197 1170481046 /nfs/dbraw/zinc/48/10/46/1170481046.db2.gz CLITVQKIMIAHDB-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1C[C@H](C)C[C@H]1CC 1346610869 1170481595 /nfs/dbraw/zinc/48/15/95/1170481595.db2.gz BVYMTHHCCVXVGD-MWLCHTKSSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1C[C@H](C)C[C@@H]1CC 1346610868 1170482167 /nfs/dbraw/zinc/48/21/67/1170482167.db2.gz BVYMTHHCCVXVGD-KOLCDFICSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1C[C@@H](C)C[C@H]1CC 1346610867 1170482178 /nfs/dbraw/zinc/48/21/78/1170482178.db2.gz BVYMTHHCCVXVGD-GXSJLCMTSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1C[C@@H](C)C[C@@H]1CC 1346610870 1170482242 /nfs/dbraw/zinc/48/22/42/1170482242.db2.gz BVYMTHHCCVXVGD-ONGXEEELSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC(C)C)C(=O)N(C)C1CCC1 1346558442 1170482315 /nfs/dbraw/zinc/48/23/15/1170482315.db2.gz JXISOZHKQWZQMK-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C[C@H](CC#N)C(=O)OCCC(C)(C)C 1346785838 1170483371 /nfs/dbraw/zinc/48/33/71/1170483371.db2.gz BQOSZDGXMNSAEM-SECBINFHSA-N 0 0 197.278 2.516 10 30 AFEERN C[C@@H](CC#N)C(=O)OCCC(C)(C)C 1346785839 1170485103 /nfs/dbraw/zinc/48/51/03/1170485103.db2.gz BQOSZDGXMNSAEM-VIFPVBQESA-N 0 0 197.278 2.516 10 30 AFEERN C=C(C)CCC(=O)N(CC)C1CCC1 1346835204 1170485169 /nfs/dbraw/zinc/48/51/69/1170485169.db2.gz CPYKWBUOLVPQHZ-UHFFFAOYSA-N 0 0 195.306 2.744 10 30 AFEERN C=C(CC(C)C)C(=O)NC1(C)CCC1 1347081482 1170486337 /nfs/dbraw/zinc/48/63/37/1170486337.db2.gz ONWTXQOTZWIEAE-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(CC(C)C)C(=O)N1CCCCC1 1346971408 1170486783 /nfs/dbraw/zinc/48/67/83/1170486783.db2.gz ZEGNPXNSNSCOQH-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(CC)C(=O)N(CC)C1CCCC1 1346864172 1170486877 /nfs/dbraw/zinc/48/68/77/1170486877.db2.gz BHAZIMVZGUOCOM-UHFFFAOYSA-N 0 0 195.306 2.744 10 30 AFEERN C=C(CC)C(=O)N(CC)CC(C)(C)C 1346995692 1170486899 /nfs/dbraw/zinc/48/68/99/1170486899.db2.gz CBSQGEWIYBUIHX-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(CC(C)C)C(=O)NCC1(C)CC1 1346871558 1170486974 /nfs/dbraw/zinc/48/69/74/1170486974.db2.gz RUAGAEAUHCEKRC-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(CC(C)C)C(=O)N(C)C(C)(C)C 1347206338 1170489018 /nfs/dbraw/zinc/48/90/18/1170489018.db2.gz XEUHZVYMXBQHTO-UHFFFAOYSA-N 0 0 197.322 2.846 10 30 AFEERN C=C(CC)C(=O)N[C@@H](C(C)C)C1CC1 1347324667 1170490676 /nfs/dbraw/zinc/49/06/76/1170490676.db2.gz BBLJUBAMEYGMHZ-NSHDSACASA-N 0 0 195.306 2.503 10 30 AFEERN C=C(CC)C(=O)N(CC)[C@H](C)CC 1347303715 1170490689 /nfs/dbraw/zinc/49/06/89/1170490689.db2.gz AERBRPWORMWEQU-SNVBAGLBSA-N 0 0 183.295 2.600 10 30 AFEERN C=C(CC)C(=O)N[C@H](C(C)C)C1CC1 1347324666 1170490718 /nfs/dbraw/zinc/49/07/18/1170490718.db2.gz BBLJUBAMEYGMHZ-LLVKDONJSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(CC)C(=O)N(CC)[C@@H](C)CC 1347303714 1170491308 /nfs/dbraw/zinc/49/13/08/1170491308.db2.gz AERBRPWORMWEQU-JTQLQIEISA-N 0 0 183.295 2.600 10 30 AFEERN CC#CCCSCc1cncs1 1347260149 1170491858 /nfs/dbraw/zinc/49/18/58/1170491858.db2.gz XEFYXRWTFXJAJP-UHFFFAOYSA-N 0 0 197.328 2.790 10 30 AFEERN C=C(CC)C(=O)NCC(C)(C)C1CC1 1347445620 1170493899 /nfs/dbraw/zinc/49/38/99/1170493899.db2.gz OIJYGQJRDGIQNN-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCNC(=O)C(=C)CC(C)C 1347523484 1170494143 /nfs/dbraw/zinc/49/41/43/1170494143.db2.gz UJQXMEMQPUERSG-UHFFFAOYSA-N 0 0 195.306 2.671 10 30 AFEERN C=CC[C@H](C)NC(=O)C(=C)CC(C)C 1347670747 1170495912 /nfs/dbraw/zinc/49/59/12/1170495912.db2.gz IMLNPVDAHFSFJM-NSHDSACASA-N 0 0 195.306 2.670 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@@H](C)C1CC1 1347650815 1170496117 /nfs/dbraw/zinc/49/61/17/1170496117.db2.gz FSKHFQAAFKRLKC-JTQLQIEISA-N 0 0 195.306 2.503 10 30 AFEERN C=CC[C@@H](C)NC(=O)C(=C)CC(C)C 1347670746 1170496150 /nfs/dbraw/zinc/49/61/50/1170496150.db2.gz IMLNPVDAHFSFJM-LLVKDONJSA-N 0 0 195.306 2.670 10 30 AFEERN C=C(CC)C(=O)NCCCCC1CC1 1347963598 1170498110 /nfs/dbraw/zinc/49/81/10/1170498110.db2.gz MXSDQAYBSSYCPX-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=C(CC)C(=O)NC[C@]1(C)CC1(C)C 1348120956 1170499605 /nfs/dbraw/zinc/49/96/05/1170499605.db2.gz WSZPOXKLYLGVPC-LBPRGKRZSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(CC)C(=O)NC[C@@]1(C)CC1(C)C 1348120955 1170500300 /nfs/dbraw/zinc/50/03/00/1170500300.db2.gz WSZPOXKLYLGVPC-GFCCVEGCSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(CC(C)C)C(=O)NCC1CCC1 1348506523 1170501249 /nfs/dbraw/zinc/50/12/49/1170501249.db2.gz KHMFTZIXNCNLSN-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN CC(C)(C)ON=C[C@H]1CC12CC2 1348411081 1170502345 /nfs/dbraw/zinc/50/23/45/1170502345.db2.gz HKKFTUAEXKMUOV-MRVPVSSYSA-N 0 0 167.252 2.587 10 30 AFEERN CC(C)(C)ON=C[C@@H]1CC12CC2 1348411082 1170502639 /nfs/dbraw/zinc/50/26/39/1170502639.db2.gz HKKFTUAEXKMUOV-QMMMGPOBSA-N 0 0 167.252 2.587 10 30 AFEERN C=C(C)CCC(=O)N(C)C[C@H](C)CC 1348717342 1170503529 /nfs/dbraw/zinc/50/35/29/1170503529.db2.gz FXJVXLAUISLTKU-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(CC(C)C)C(=O)NC1(CC)CC1 1348696118 1170503936 /nfs/dbraw/zinc/50/39/36/1170503936.db2.gz OKFWOEOXYZYICJ-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCCCOC(=O)[C@H](F)CC 1348522875 1170503945 /nfs/dbraw/zinc/50/39/45/1170503945.db2.gz GYAVMOKZBIXQCI-SECBINFHSA-N 0 0 188.242 2.634 10 30 AFEERN CC(=NOC(C)(C)C)[C@H]1CC1(F)F 1348543692 1170504001 /nfs/dbraw/zinc/50/40/01/1170504001.db2.gz RLGIPQYKMKAEOG-SSDOTTSWSA-N 0 0 191.221 2.833 10 30 AFEERN C=CCCCCOC(=O)[C@@H](F)CC 1348522876 1170504287 /nfs/dbraw/zinc/50/42/87/1170504287.db2.gz GYAVMOKZBIXQCI-VIFPVBQESA-N 0 0 188.242 2.634 10 30 AFEERN CC(=NOC(C)(C)C)[C@@H]1CC1(F)F 1348543702 1170504328 /nfs/dbraw/zinc/50/43/28/1170504328.db2.gz RLGIPQYKMKAEOG-ZETCQYMHSA-N 0 0 191.221 2.833 10 30 AFEERN C=C(C)CCC(=O)N(C)C[C@@H](C)CC 1348717343 1170504824 /nfs/dbraw/zinc/50/48/24/1170504824.db2.gz FXJVXLAUISLTKU-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=CCON=C1CCC[C@@H](OC)CC1 1349817837 1170512616 /nfs/dbraw/zinc/51/26/16/1170512616.db2.gz MGKQBCXVGDICNH-LLVKDONJSA-N 0 0 197.278 2.524 10 30 AFEERN C=CCON=C1CCC[C@H](OC)CC1 1349817838 1170512702 /nfs/dbraw/zinc/51/27/02/1170512702.db2.gz MGKQBCXVGDICNH-NSHDSACASA-N 0 0 197.278 2.524 10 30 AFEERN C=C(CC)C(=O)N[C@@H](C)C1CCCC1 1349930560 1170515256 /nfs/dbraw/zinc/51/52/56/1170515256.db2.gz WWUNHDXHJPKOHK-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=C(CC)C(=O)N(CC(C)C)C1CC1 1350871762 1170522500 /nfs/dbraw/zinc/52/25/00/1170522500.db2.gz GWIQFSNTMGVYOY-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC(C)C)C(=O)N(CC)CCC 1350880784 1170523103 /nfs/dbraw/zinc/52/31/03/1170523103.db2.gz DQAWUBOTTGTNLF-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(CC(C)C)C(=O)NC1CCCC1 1350795169 1170523242 /nfs/dbraw/zinc/52/32/42/1170523242.db2.gz WVHVBDNGVJNOBA-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(CC)C(=O)N1CC[C@@H](C)[C@@H]1CC 1351775126 1170525608 /nfs/dbraw/zinc/52/56/08/1170525608.db2.gz HRRFMHFUQJDQSM-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1CC[C@H](C)[C@@H]1CC 1351775127 1170526611 /nfs/dbraw/zinc/52/66/11/1170526611.db2.gz HRRFMHFUQJDQSM-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1CC[C@H](C)[C@H]1CC 1351775128 1170527470 /nfs/dbraw/zinc/52/74/70/1170527470.db2.gz HRRFMHFUQJDQSM-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1CC[C@@H](C)[C@H]1CC 1351775125 1170528114 /nfs/dbraw/zinc/52/81/14/1170528114.db2.gz HRRFMHFUQJDQSM-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H](C)CC(C)C 1351904509 1170528674 /nfs/dbraw/zinc/52/86/74/1170528674.db2.gz ARTNRRUSYPEPEC-JTQLQIEISA-N 0 0 197.322 2.749 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@@H]1CC[C@H]1C 1352198708 1170528777 /nfs/dbraw/zinc/52/87/77/1170528777.db2.gz MRLTUQNHPJEGTF-MWLCHTKSSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@H]1CC[C@H]1C 1352198707 1170529249 /nfs/dbraw/zinc/52/92/49/1170529249.db2.gz MRLTUQNHPJEGTF-KOLCDFICSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@@H]1CC[C@@H]1C 1352198704 1170529256 /nfs/dbraw/zinc/52/92/56/1170529256.db2.gz MRLTUQNHPJEGTF-GXSJLCMTSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCCN(C)C(=O)C(=C)CC(C)C 1351885655 1170529270 /nfs/dbraw/zinc/52/92/70/1170529270.db2.gz KJYVXDTXOVLNJC-UHFFFAOYSA-N 0 0 195.306 2.623 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@H]1CC[C@@H]1C 1352198711 1170529277 /nfs/dbraw/zinc/52/92/77/1170529277.db2.gz MRLTUQNHPJEGTF-ONGXEEELSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)/C=C(/C)CCC 1351904612 1170529605 /nfs/dbraw/zinc/52/96/05/1170529605.db2.gz DLLFVZBWXUXWHK-KTKRTIGZSA-N 0 0 195.306 2.814 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H](C)CC(C)C 1351904510 1170529830 /nfs/dbraw/zinc/52/98/30/1170529830.db2.gz ARTNRRUSYPEPEC-SNVBAGLBSA-N 0 0 197.322 2.749 10 30 AFEERN C=CC(C)(C)NC(=O)/C=C(\C)CCC 1351904613 1170530446 /nfs/dbraw/zinc/53/04/46/1170530446.db2.gz DLLFVZBWXUXWHK-MDZDMXLPSA-N 0 0 195.306 2.814 10 30 AFEERN C=C(CC)C(=O)NCC[C@@H](C)CCC 1352748873 1170531590 /nfs/dbraw/zinc/53/15/90/1170531590.db2.gz CXPBVRAQLMKDML-JTQLQIEISA-N 0 0 197.322 2.895 10 30 AFEERN C=C(CC)C(=O)NCC[C@H](C)CCC 1352748874 1170532504 /nfs/dbraw/zinc/53/25/04/1170532504.db2.gz CXPBVRAQLMKDML-SNVBAGLBSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCN(CC)C(=O)C(=C)CC 1353173245 1170533975 /nfs/dbraw/zinc/53/39/75/1170533975.db2.gz HTCNPLWNIPXHDM-UHFFFAOYSA-N 0 0 195.306 2.767 10 30 AFEERN C=C(C)CCC(=O)N(C)CC1CCC1 1353765382 1170541876 /nfs/dbraw/zinc/54/18/76/1170541876.db2.gz HSEABADRWVZRBU-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)CCC(=O)N(OCC)C(C)C 1353725513 1170542074 /nfs/dbraw/zinc/54/20/74/1170542074.db2.gz FTVHCTXUZMTAQX-UHFFFAOYSA-N 0 0 199.294 2.531 10 30 AFEERN C=C(C)CCC(=O)OCc1ccoc1 1357160127 1170559848 /nfs/dbraw/zinc/55/98/48/1170559848.db2.gz OIPAFHLWPSROSD-UHFFFAOYSA-N 0 0 194.230 2.679 10 30 AFEERN C=C(C)CCC(=O)N(C)[C@H](C)C1CC1 1357481608 1170560040 /nfs/dbraw/zinc/56/00/40/1170560040.db2.gz BKACQAYUHOCWCN-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)CCC(=O)N(C)[C@@H](C)C1CC1 1357481603 1170560544 /nfs/dbraw/zinc/56/05/44/1170560544.db2.gz BKACQAYUHOCWCN-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C#C[C@@H](C)OC(=O)C1(CCCC)CC1 1357748038 1170561205 /nfs/dbraw/zinc/56/12/05/1170561205.db2.gz XCHKFTPXRIJRCR-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@H](C)OC(=O)C1(CCCC)CC1 1357748037 1170562189 /nfs/dbraw/zinc/56/21/89/1170562189.db2.gz XCHKFTPXRIJRCR-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1(C)CC=CC1 1358482664 1170563638 /nfs/dbraw/zinc/56/36/38/1170563638.db2.gz BPDYMPQBESZGAV-SNVBAGLBSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1(C)CC=CC1 1358482663 1170564368 /nfs/dbraw/zinc/56/43/68/1170564368.db2.gz BPDYMPQBESZGAV-JTQLQIEISA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)CCC(=O)NC1CC(C)(C)C1 1358436031 1170564644 /nfs/dbraw/zinc/56/46/44/1170564644.db2.gz FRSMTTWBHJPWOU-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(CC)C(=O)NCCCCC(C)C 1444490700 1170567240 /nfs/dbraw/zinc/56/72/40/1170567240.db2.gz SLRRXZCAMKGPFL-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=C(CC)C(=O)NCCCC1CCC1 1453590185 1170572448 /nfs/dbraw/zinc/57/24/48/1170572448.db2.gz ZUEFMPCAJSVIKB-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCSc1ccncc1C#N 1459173560 1170574649 /nfs/dbraw/zinc/57/46/49/1170574649.db2.gz NFACDENDVGARBM-UHFFFAOYSA-N 0 0 190.271 2.621 10 30 AFEERN C=C(C)CSc1ccncc1C#N 1459168843 1170574659 /nfs/dbraw/zinc/57/46/59/1170574659.db2.gz VNNQHSXCAVIRKL-UHFFFAOYSA-N 0 0 190.271 2.621 10 30 AFEERN CC#CCN(C)c1cccc(CC)c1 1460203573 1170576814 /nfs/dbraw/zinc/57/68/14/1170576814.db2.gz WQZNNILWHIUYPE-UHFFFAOYSA-N 0 0 187.286 2.709 10 30 AFEERN CCC#C[C@H](C)N1CCC=C(Cl)C1 1460411210 1170578027 /nfs/dbraw/zinc/57/80/27/1170578027.db2.gz YCRFZSBOORERAC-JTQLQIEISA-N 0 0 197.709 2.617 10 30 AFEERN C#CCCN(C)c1cccc2cc[nH]c12 1460601431 1170579222 /nfs/dbraw/zinc/57/92/22/1170579222.db2.gz BXIORAQIMLWJIT-UHFFFAOYSA-N 0 0 198.269 2.627 10 30 AFEERN CCC#C[C@@H](C)N1CCC=C(Cl)C1 1460411218 1170579290 /nfs/dbraw/zinc/57/92/90/1170579290.db2.gz YCRFZSBOORERAC-SNVBAGLBSA-N 0 0 197.709 2.617 10 30 AFEERN C=C(C)CN(Cc1ccc(C)o1)OC 1460810492 1170580776 /nfs/dbraw/zinc/58/07/76/1170580776.db2.gz WTTRPDMZGGSCEP-UHFFFAOYSA-N 0 0 195.262 2.528 10 30 AFEERN C=C(C)CN1CC(F)(F)CC[C@@H]1C 1460939063 1170581356 /nfs/dbraw/zinc/58/13/56/1170581356.db2.gz QXNBRBJJSIUMTA-VIFPVBQESA-N 0 0 189.249 2.682 10 30 AFEERN C=C(C)CN1CC(F)(F)CC[C@H]1C 1460939062 1170582161 /nfs/dbraw/zinc/58/21/61/1170582161.db2.gz QXNBRBJJSIUMTA-SECBINFHSA-N 0 0 189.249 2.682 10 30 AFEERN C#Cc1ccc(NC(=O)CCC=C)cc1 1463285637 1170583417 /nfs/dbraw/zinc/58/34/17/1170583417.db2.gz JLCAFKFFWMHUDU-UHFFFAOYSA-N 0 0 199.253 2.573 10 30 AFEERN C=C(C)CCC(=O)OC1CC2(CC2)C1 1515309069 1170612036 /nfs/dbraw/zinc/61/20/36/1170612036.db2.gz DMVCEMPUXGGKDF-UHFFFAOYSA-N 0 0 194.274 2.829 10 30 AFEERN C=C(C)CCC(=O)OCCCCC#N 1516623189 1170613695 /nfs/dbraw/zinc/61/36/95/1170613695.db2.gz CHQPXSLDBKLQQK-UHFFFAOYSA-N 0 0 195.262 2.580 10 30 AFEERN C=CCCN(C)c1cc(F)cc(C)n1 1515682642 1170613999 /nfs/dbraw/zinc/61/39/99/1170613999.db2.gz QGMVLPGYDBSAKU-UHFFFAOYSA-N 0 0 194.253 2.541 10 30 AFEERN C=C(C)CCNc1cc(F)cc(C)n1 1515784807 1170614262 /nfs/dbraw/zinc/61/42/62/1170614262.db2.gz HRHXEHUMYLBOAK-UHFFFAOYSA-N 0 0 194.253 2.907 10 30 AFEERN C=CCC1(COC(=O)CC)CCC1 1517962715 1170616618 /nfs/dbraw/zinc/61/66/18/1170616618.db2.gz FVYFOLOYVUKKSL-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCC1(COC(=O)C2CC2)CCC1 1517242922 1170617066 /nfs/dbraw/zinc/61/70/66/1170617066.db2.gz LXBDLEPCLBLYHK-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN C=C(C)CCC(=O)OCC(=C)CC 1519013830 1170618817 /nfs/dbraw/zinc/61/88/17/1170618817.db2.gz IFHFELIRGWXFKS-UHFFFAOYSA-N 0 0 182.263 2.852 10 30 AFEERN C=C(CC)C(=O)N(C(C)C)C1CCC1 1519585981 1170620178 /nfs/dbraw/zinc/62/01/78/1170620178.db2.gz CBMBCNQHRWCFLG-UHFFFAOYSA-N 0 0 195.306 2.742 10 30 AFEERN C=C(CC(C)C)C(=O)N1CCC[C@H]1C 1519692697 1170620438 /nfs/dbraw/zinc/62/04/38/1170620438.db2.gz ARMYBUAGEUDLCU-LLVKDONJSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1CCC(C)=C(C)C1 1520151941 1170620754 /nfs/dbraw/zinc/62/07/54/1170620754.db2.gz CTOMBPDLGNTNFE-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=C(CC(C)C)C(=O)NCC=C(C)C 1520038426 1170621504 /nfs/dbraw/zinc/62/15/04/1170621504.db2.gz ZCWPGMCBIRRGJF-UHFFFAOYSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(CC(C)C)C(=O)N1CCC[C@@H]1C 1519692698 1170621519 /nfs/dbraw/zinc/62/15/19/1170621519.db2.gz ARMYBUAGEUDLCU-NSHDSACASA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N[C@@H](C)C(C)(C)CC 1520329141 1170622382 /nfs/dbraw/zinc/62/23/82/1170622382.db2.gz RRKVNHSJSXAETI-JTQLQIEISA-N 0 0 197.322 2.894 10 30 AFEERN C=C(CC)C(=O)N[C@H](C)C(C)(C)CC 1520329142 1170623639 /nfs/dbraw/zinc/62/36/39/1170623639.db2.gz RRKVNHSJSXAETI-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(CC)C(=O)N1CC[C@@H](C)C[C@H]1C 1521670418 1170627503 /nfs/dbraw/zinc/62/75/03/1170627503.db2.gz BYONKXOFLOCKBV-MWLCHTKSSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N[C@H](C)CC1CCC1 1521767943 1170627963 /nfs/dbraw/zinc/62/79/63/1170627963.db2.gz OFBOGGXEDJTQQU-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(CC)C(=O)N[C@@H](C)CC1CCC1 1521767942 1170628105 /nfs/dbraw/zinc/62/81/05/1170628105.db2.gz OFBOGGXEDJTQQU-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=C(CC)C(=O)N1C[C@@H](C)CC[C@H]1C 1527931910 1170636168 /nfs/dbraw/zinc/63/61/68/1170636168.db2.gz PCJILHGPZHVIOQ-GXSJLCMTSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC(C)C)C(=O)NC(C)(C)CC 1527420218 1170636176 /nfs/dbraw/zinc/63/61/76/1170636176.db2.gz JIMSYZVYDMCLBF-UHFFFAOYSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(CC)C(=O)N1C[C@H](C)CC[C@@H]1C 1527931920 1170636332 /nfs/dbraw/zinc/63/63/32/1170636332.db2.gz PCJILHGPZHVIOQ-KOLCDFICSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@H](C)CC 1527313850 1170636368 /nfs/dbraw/zinc/63/63/68/1170636368.db2.gz IEFHDTBYMTVSHP-SNVBAGLBSA-N 0 0 183.295 2.503 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@@H](C)CC 1527313842 1170636984 /nfs/dbraw/zinc/63/69/84/1170636984.db2.gz IEFHDTBYMTVSHP-JTQLQIEISA-N 0 0 183.295 2.503 10 30 AFEERN C=C(CC(C)C)C(=O)N(C)CC(C)C 1527433492 1170637033 /nfs/dbraw/zinc/63/70/33/1170637033.db2.gz ZIQHIBBHZHRNKG-UHFFFAOYSA-N 0 0 197.322 2.703 10 30 AFEERN C=C(CC(C)C)C(=O)N(C)CCCC 1527420000 1170637042 /nfs/dbraw/zinc/63/70/42/1170637042.db2.gz GNRGQGIARSYTSD-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(CC(C)C)C(=O)NC(CC)CC 1527373175 1170637120 /nfs/dbraw/zinc/63/71/20/1170637120.db2.gz LDZZHVWVIAQVGG-UHFFFAOYSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(CC)C(=O)N1C[C@@H](C)CC1(C)C 1528572359 1170637583 /nfs/dbraw/zinc/63/75/83/1170637583.db2.gz CYIKBRISOLIDNB-VIFPVBQESA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1C[C@H](C)CC[C@H]1C 1527931922 1170637773 /nfs/dbraw/zinc/63/77/73/1170637773.db2.gz PCJILHGPZHVIOQ-MWLCHTKSSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1C[C@H](C)CC1(C)C 1528572358 1170637882 /nfs/dbraw/zinc/63/78/82/1170637882.db2.gz CYIKBRISOLIDNB-SECBINFHSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC(C)C)C(=O)N[C@@H]1C[C@H]1CC 1528382597 1170638285 /nfs/dbraw/zinc/63/82/85/1170638285.db2.gz DLJMXGVIAJQALH-GHMZBOCLSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(CC)C(=O)N1C[C@@H](C)CC[C@@H]1C 1527931923 1170639039 /nfs/dbraw/zinc/63/90/39/1170639039.db2.gz PCJILHGPZHVIOQ-ONGXEEELSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)NC(C)(C)C1CCC1 1528476565 1170639231 /nfs/dbraw/zinc/63/92/31/1170639231.db2.gz FHUBKNLTUPQTMK-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCC(=O)NCCCCC(C)C 1532222958 1170640198 /nfs/dbraw/zinc/64/01/98/1170640198.db2.gz GAGDIIKVYSJLPQ-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C#Cc1ccc(OCC)c(Cl)c1 1529596239 1170640918 /nfs/dbraw/zinc/64/09/18/1170640918.db2.gz BIRZZIGZXRGUDO-UHFFFAOYSA-N 0 0 180.634 2.720 10 30 AFEERN C#Cc1ccc(OCC(C)C)c(C#N)c1 1529596147 1170641759 /nfs/dbraw/zinc/64/17/59/1170641759.db2.gz CAPGNEXIWSIUTO-UHFFFAOYSA-N 0 0 199.253 2.574 10 30 AFEERN C#Cc1ccc(NC(=O)C=C(C)C)cc1 1537514073 1170642531 /nfs/dbraw/zinc/64/25/31/1170642531.db2.gz LFOPGVKQVFALEZ-UHFFFAOYSA-N 0 0 199.253 2.573 10 30 AFEERN C=C(CC)C(=O)Nc1cccc(F)c1 1538812799 1170645432 /nfs/dbraw/zinc/64/54/32/1170645432.db2.gz IYGIGRPNKBECSS-UHFFFAOYSA-N 0 0 193.221 2.730 10 30 AFEERN C=C(CC)C(=O)N1CC[C@H](CC)[C@H]1C 1556272656 1170650274 /nfs/dbraw/zinc/65/02/74/1170650274.db2.gz FCFPTPRPDBZDBI-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1CC[C@@H](CC)[C@H]1C 1556272655 1170650462 /nfs/dbraw/zinc/65/04/62/1170650462.db2.gz FCFPTPRPDBZDBI-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1CC[C@H](CC)[C@@H]1C 1556272657 1170651496 /nfs/dbraw/zinc/65/14/96/1170651496.db2.gz FCFPTPRPDBZDBI-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)C(=O)N1CC[C@@H](CC)[C@@H]1C 1556272658 1170651660 /nfs/dbraw/zinc/65/16/60/1170651660.db2.gz FCFPTPRPDBZDBI-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN N#Cc1ccc(F)cc1NC1CCC1 1612458653 1170804426 /nfs/dbraw/zinc/80/44/26/1170804426.db2.gz CZAOCCORDXWIGB-UHFFFAOYSA-N 0 0 190.221 2.662 10 30 AFEERN C=CCCOc1ccsc1[N+](=O)[O-] 1613792212 1170805011 /nfs/dbraw/zinc/80/50/11/1170805011.db2.gz BGOHVBCDRSPVCI-UHFFFAOYSA-N 0 0 199.231 2.611 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H]1C[C@H]1CCC 1616973803 1170808158 /nfs/dbraw/zinc/80/81/58/1170808158.db2.gz QEPQPHSSCZFPNU-NXEZZACHSA-N 0 0 195.306 2.503 10 30 AFEERN C#Cc1cccc(NC(=O)C(=C)CC)c1 1618026881 1170813521 /nfs/dbraw/zinc/81/35/21/1170813521.db2.gz IPUYDJUQFIWUGT-UHFFFAOYSA-N 0 0 199.253 2.573 10 30 AFEERN C=C(C)CN1Cc2ccccc2CO1 1620519783 1170816657 /nfs/dbraw/zinc/81/66/57/1170816657.db2.gz NJFVBZMIICSBQS-UHFFFAOYSA-N 0 0 189.258 2.510 10 30 AFEERN CC#CCN1c2ccccc2CC1(C)C 1620470425 1170817726 /nfs/dbraw/zinc/81/77/26/1170817726.db2.gz DZHUSAYWKDWUME-UHFFFAOYSA-N 0 0 199.297 2.851 10 30 AFEERN CC#CCN(C)c1ccc(C)cc1F 1618548447 1170819253 /nfs/dbraw/zinc/81/92/53/1170819253.db2.gz UZJQKESRPDXKSP-UHFFFAOYSA-N 0 0 191.249 2.594 10 30 AFEERN C#Cc1ccc(NC(=O)/C(C)=C/C)cc1 1627492980 1170838689 /nfs/dbraw/zinc/83/86/89/1170838689.db2.gz POUUBPZIEXFWMH-ONNFQVAWSA-N 0 0 199.253 2.573 10 30 AFEERN C#Cc1ccc(NC(=O)/C(C)=C\C)cc1 1627492985 1170839009 /nfs/dbraw/zinc/83/90/09/1170839009.db2.gz POUUBPZIEXFWMH-WMZJFQQLSA-N 0 0 199.253 2.573 10 30 AFEERN C=C/C=C\CC(=O)N(CC)CC(=C)C 1629054087 1170841981 /nfs/dbraw/zinc/84/19/81/1170841981.db2.gz QECUGKJIEQGBKM-FPLPWBNLSA-N 0 0 193.290 2.543 10 30 AFEERN C=C/C=C/CC(=O)N(CC)CC(=C)C 1629054086 1170842111 /nfs/dbraw/zinc/84/21/11/1170842111.db2.gz QECUGKJIEQGBKM-BQYQJAHWSA-N 0 0 193.290 2.543 10 30 AFEERN C=CCCCCn1cnc(CC)c1 1641418758 1170857705 /nfs/dbraw/zinc/85/77/05/1170857705.db2.gz MRPBAQNQFUXADB-UHFFFAOYSA-N 0 0 178.279 2.802 10 30 AFEERN C#CCSc1ccc(C#N)c(C)c1 1641223564 1170858669 /nfs/dbraw/zinc/85/86/69/1170858669.db2.gz YPLNRVUNXZHJJM-UHFFFAOYSA-N 0 0 187.267 2.592 10 30 AFEERN CCC#C[C@@H](C)N1Cc2ccccc2C1 1641716112 1170861793 /nfs/dbraw/zinc/86/17/93/1170861793.db2.gz UHMDYKMSRKOCDI-GFCCVEGCSA-N 0 0 199.297 2.804 10 30 AFEERN CCC#C[C@H](C)N1Cc2ccccc2C1 1641716113 1170861846 /nfs/dbraw/zinc/86/18/46/1170861846.db2.gz UHMDYKMSRKOCDI-LBPRGKRZSA-N 0 0 199.297 2.804 10 30 AFEERN CCC#C[C@@H](C)Sc1ccncc1 1651842967 1170892492 /nfs/dbraw/zinc/89/24/92/1170892492.db2.gz ZANZWFGSOOBUEA-SNVBAGLBSA-N 0 0 191.299 2.976 10 30 AFEERN CCC#C[C@H](C)Sc1ccncc1 1651842966 1170892503 /nfs/dbraw/zinc/89/25/03/1170892503.db2.gz ZANZWFGSOOBUEA-JTQLQIEISA-N 0 0 191.299 2.976 10 30 AFEERN C[C@H](C#N)SCc1ccccc1F 1652270798 1170895788 /nfs/dbraw/zinc/89/57/88/1170895788.db2.gz UGHMYHYHKSJLIY-MRVPVSSYSA-N 0 0 195.262 2.971 10 30 AFEERN C[C@@H](C#N)SCc1ccccc1F 1652270807 1170898686 /nfs/dbraw/zinc/89/86/86/1170898686.db2.gz UGHMYHYHKSJLIY-QMMMGPOBSA-N 0 0 195.262 2.971 10 30 AFEERN C=C(C)COc1ccsc1[N+](=O)[O-] 1652843175 1170902402 /nfs/dbraw/zinc/90/24/02/1170902402.db2.gz KCDHWSFZLJVYBR-UHFFFAOYSA-N 0 0 199.231 2.611 10 30 AFEERN C=CCOc1ccc(C=O)c(CC)c1 1653139540 1170905265 /nfs/dbraw/zinc/90/52/65/1170905265.db2.gz GIXTZTHEALUBLQ-UHFFFAOYSA-N 0 0 190.242 2.626 10 30 AFEERN C#Cc1ccc(NC(=O)C(=C)CC)cc1 1653444516 1170908784 /nfs/dbraw/zinc/90/87/84/1170908784.db2.gz XFZRTUIJGIOWKX-UHFFFAOYSA-N 0 0 199.253 2.573 10 30 AFEERN CC#CCN(C)c1cccc2cc[nH]c12 1654459428 1170914712 /nfs/dbraw/zinc/91/47/12/1170914712.db2.gz GQXZQODAGAXCKN-UHFFFAOYSA-N 0 0 198.269 2.627 10 30 AFEERN CC[C@H](C)Nc1cc(F)ccc1C#N 1654891049 1170917778 /nfs/dbraw/zinc/91/77/78/1170917778.db2.gz QIVIWPAIDBUALL-QMMMGPOBSA-N 0 0 192.237 2.908 10 30 AFEERN CC[C@@H](C)Nc1cc(F)ccc1C#N 1654891048 1170919079 /nfs/dbraw/zinc/91/90/79/1170919079.db2.gz QIVIWPAIDBUALL-MRVPVSSYSA-N 0 0 192.237 2.908 10 30 AFEERN CC#CCn1cnc(-c2ccccc2)c1 1656875368 1170925766 /nfs/dbraw/zinc/92/57/66/1170925766.db2.gz XBQHNJBXAVZYOJ-UHFFFAOYSA-N 0 0 196.253 2.573 10 30 AFEERN C=CCOc1cccc(C(C)=O)c1F 1656848621 1170925783 /nfs/dbraw/zinc/92/57/83/1170925783.db2.gz KTENFMQAVFDLIU-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN N#CCSCc1cccc(F)c1F 1656868098 1170925975 /nfs/dbraw/zinc/92/59/75/1170925975.db2.gz XJYYPRDGYCDTLU-UHFFFAOYSA-N 0 0 199.225 2.722 10 30 AFEERN C#Cc1ccc(NCc2ccco2)cc1 1658729111 1170937280 /nfs/dbraw/zinc/93/72/80/1170937280.db2.gz PURQNJNYPKRNIO-UHFFFAOYSA-N 0 0 197.237 2.873 10 30 AFEERN C#Cc1ccc(NCc2ccoc2)cc1 1658729049 1170937462 /nfs/dbraw/zinc/93/74/62/1170937462.db2.gz NPWJFGMQUMCZGH-UHFFFAOYSA-N 0 0 197.237 2.873 10 30 AFEERN C=CCCN1CC(F)(F)CC[C@H]1C 1660604062 1170945956 /nfs/dbraw/zinc/94/59/56/1170945956.db2.gz YQOOJCLNVQGKJP-SECBINFHSA-N 0 0 189.249 2.682 10 30 AFEERN C=CCCN1CC(F)(F)CC[C@@H]1C 1660604063 1170948007 /nfs/dbraw/zinc/94/80/07/1170948007.db2.gz YQOOJCLNVQGKJP-VIFPVBQESA-N 0 0 189.249 2.682 10 30 AFEERN C#Cc1ccc(NCc2cc[nH]c2)cc1 1663422146 1170949141 /nfs/dbraw/zinc/94/91/41/1170949141.db2.gz FAJYRUGKTVATON-UHFFFAOYSA-N 0 0 196.253 2.608 10 30 AFEERN C=CCCNc1ccc(OC)c(C)c1 70592015 571673371 /nfs/dbraw/zinc/67/33/71/571673371.db2.gz HTPPMXNURNXPPA-UHFFFAOYSA-N 0 0 191.274 2.992 10 30 AFEERN N#Cc1cccc2nc(Cl)sc12 213816317 571672171 /nfs/dbraw/zinc/67/21/71/571672171.db2.gz GKUZGGTXTTUGFB-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN C/C=C\[C@H](O)C#CCCCCCC 213819959 571672183 /nfs/dbraw/zinc/67/21/83/571672183.db2.gz RWRSZLCVCNUEFJ-JOTVYFQTSA-N 0 0 180.291 2.897 10 30 AFEERN CC(C)/C=C1/CCC[C@H](C)C1=O 138752473 571672394 /nfs/dbraw/zinc/67/23/94/571672394.db2.gz KAFZMPVGOFAGFI-CBFJXKFUSA-N 0 0 166.264 2.958 10 30 AFEERN C#CCCC(C)=C(C)C 213801772 571672670 /nfs/dbraw/zinc/67/26/70/571672670.db2.gz CADCXUCTRMKCJF-UHFFFAOYSA-N 0 0 122.211 2.756 10 30 AFEERN C/C=C/[C@H](O)C#CCCCCCC 213820016 571672921 /nfs/dbraw/zinc/67/29/21/571672921.db2.gz RWRSZLCVCNUEFJ-YCGNWBHESA-N 0 0 180.291 2.897 10 30 AFEERN C=CCCC(=O)C/C=C/CC 225087956 571672935 /nfs/dbraw/zinc/67/29/35/571672935.db2.gz LNXSPXUCYCYVKZ-FNORWQNLSA-N 0 0 152.237 2.878 10 30 AFEERN CC(C)(F)CCn1cccc1CC#N 213789989 571672964 /nfs/dbraw/zinc/67/29/64/571672964.db2.gz PTQVXKIAKWEYFN-UHFFFAOYSA-N 0 0 194.253 2.692 10 30 AFEERN C=CCCCSc1ccc(N)cn1 70592730 571673096 /nfs/dbraw/zinc/67/30/96/571673096.db2.gz GKUZHLLCPMRJQE-UHFFFAOYSA-N 0 0 194.303 2.722 10 30 AFEERN C=CCCC[C@@H](O)c1ccco1 70593883 571677054 /nfs/dbraw/zinc/67/70/54/571677054.db2.gz RWENKYXIYNDMBL-SECBINFHSA-N 0 0 166.220 2.669 10 30 AFEERN C=CCCC(=O)Cc1ccccc1F 70593500 571673194 /nfs/dbraw/zinc/67/31/94/571673194.db2.gz WVSAFPLEBAECNZ-UHFFFAOYSA-N 0 0 192.233 2.904 10 30 AFEERN C=CCCN(C)c1cccc(C#N)c1 70592556 571673157 /nfs/dbraw/zinc/67/31/57/571673157.db2.gz VXSAKUISKWSGOH-UHFFFAOYSA-N 0 0 186.258 2.571 10 30 AFEERN CCC/C=C/C(=O)c1cccc(O)c1 34568197 571673285 /nfs/dbraw/zinc/67/32/85/571673285.db2.gz IFXONQSPOUFDBG-XBXARRHUSA-N 0 0 190.242 2.931 10 30 AFEERN C/C=C/COCc1ccc(C#N)cc1 51173753 571673492 /nfs/dbraw/zinc/67/34/92/571673492.db2.gz STBFEQNKUYNCEQ-NSCUHMNNSA-N 0 0 187.242 2.651 10 30 AFEERN O=CCCCC/C=C\C1CC1 225218041 571673501 /nfs/dbraw/zinc/67/35/01/571673501.db2.gz MBGQOBFAPXCXAE-XQRVVYSFSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCCCC(=O)c1ncccc1C 70593514 571673568 /nfs/dbraw/zinc/67/35/68/571673568.db2.gz NZFIAQVPUMVKPX-UHFFFAOYSA-N 0 0 189.258 2.929 10 30 AFEERN C[C@@H]1CC[C@@H](C)C12CC=CC(=O)C2 138746087 571673569 /nfs/dbraw/zinc/67/35/69/571673569.db2.gz WYFZTAWXWMKEEU-NXEZZACHSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCC(=O)Cc1ccc(F)cc1 70593456 571674780 /nfs/dbraw/zinc/67/47/80/571674780.db2.gz FJJOVJLRTVFXGZ-UHFFFAOYSA-N 0 0 192.233 2.904 10 30 AFEERN C=CCCOc1cccc(O)c1C 70592901 571673694 /nfs/dbraw/zinc/67/36/94/571673694.db2.gz SZZQWNCUXCUNHY-UHFFFAOYSA-N 0 0 178.231 2.656 10 30 AFEERN CC(C)(F)CCn1ccc(CC#N)c1 213789906 571673705 /nfs/dbraw/zinc/67/37/05/571673705.db2.gz UIDBXZPVVVIONX-UHFFFAOYSA-N 0 0 194.253 2.692 10 30 AFEERN C=CCCCC(=O)CC(C)C 70593462 571673728 /nfs/dbraw/zinc/67/37/28/571673728.db2.gz ITBMTBYPDHXBPS-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1cc(C)c(C(Cl)=NO)cc1C 379286154 571673816 /nfs/dbraw/zinc/67/38/16/571673816.db2.gz HSZRBUNMEQJUMY-UHFFFAOYSA-N 0 0 197.665 2.986 10 30 AFEERN C=CCCSc1ccccc1N 70592708 571673827 /nfs/dbraw/zinc/67/38/27/571673827.db2.gz ZEUKLANWZDUUNZ-UHFFFAOYSA-N 0 0 179.288 2.937 10 30 AFEERN C=CCCOc1ccc(CC#N)cc1 70592567 571673905 /nfs/dbraw/zinc/67/39/05/571673905.db2.gz UKHOBMJQSIBDSN-UHFFFAOYSA-N 0 0 187.242 2.708 10 30 AFEERN C=CCCC(=O)c1ncccc1C 70593513 571674020 /nfs/dbraw/zinc/67/40/20/571674020.db2.gz VWRLXJRHMDJCJO-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C=CCCNc1ccc(CC#N)cc1 70592236 571673963 /nfs/dbraw/zinc/67/39/63/571673963.db2.gz OLDPCZJPXBCHOA-UHFFFAOYSA-N 0 0 186.258 2.741 10 30 AFEERN C=CCCC(=O)Cc1cccc(F)c1 70593485 571674085 /nfs/dbraw/zinc/67/40/85/571674085.db2.gz ZDTHHVJJJZOYHW-UHFFFAOYSA-N 0 0 192.233 2.904 10 30 AFEERN C=CCCOc1ccc(C)cc1C=O 70592659 571674090 /nfs/dbraw/zinc/67/40/90/571674090.db2.gz RDJNFOZGOWSNOX-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C/C=C/COCc1cccc(C#N)c1 51173755 571674126 /nfs/dbraw/zinc/67/41/26/571674126.db2.gz UKSRPJMQPPPCGI-NSCUHMNNSA-N 0 0 187.242 2.651 10 30 AFEERN C/C=C/[C@@H](O)C#CCCCCCC 213819904 571674154 /nfs/dbraw/zinc/67/41/54/571674154.db2.gz RWRSZLCVCNUEFJ-LHJMJDNXSA-N 0 0 180.291 2.897 10 30 AFEERN CC/C=C\C1=C(C)CCC1=O 225089065 571674235 /nfs/dbraw/zinc/67/42/35/571674235.db2.gz DNQPNJHAXSZTDK-PLNGDYQASA-N 0 0 150.221 2.632 10 30 AFEERN C=CCCCC(=O)c1cccnc1 70593443 571674290 /nfs/dbraw/zinc/67/42/90/571674290.db2.gz XUPVFPMQSLWAPI-UHFFFAOYSA-N 0 0 175.231 2.621 10 30 AFEERN C=CCCCC(=O)c1ccncc1 70593445 571674321 /nfs/dbraw/zinc/67/43/21/571674321.db2.gz RNSZICMXKCJFOL-UHFFFAOYSA-N 0 0 175.231 2.621 10 30 AFEERN C=CCCCSc1ccc(N)nc1 70592732 571674335 /nfs/dbraw/zinc/67/43/35/571674335.db2.gz YSDHEVHGCZSYDU-UHFFFAOYSA-N 0 0 194.303 2.722 10 30 AFEERN C=CCCNc1cccc(COC)c1 70591987 571674350 /nfs/dbraw/zinc/67/43/50/571674350.db2.gz YFNKZWBNCANGJK-UHFFFAOYSA-N 0 0 191.274 2.821 10 30 AFEERN C=CCCOc1cccc([C@@H](C)O)c1 70592815 571674597 /nfs/dbraw/zinc/67/45/97/571674597.db2.gz NLPNMPYUQDBCNB-SNVBAGLBSA-N 0 0 192.258 2.695 10 30 AFEERN C=CCCCC(=O)c1ccccn1 70593441 571675153 /nfs/dbraw/zinc/67/51/53/571675153.db2.gz BCQVVTYBXDJSNO-UHFFFAOYSA-N 0 0 175.231 2.621 10 30 AFEERN C=CCCCSc1ncccc1N 70592728 571674682 /nfs/dbraw/zinc/67/46/82/571674682.db2.gz BAWMODCTJBOOQG-UHFFFAOYSA-N 0 0 194.303 2.722 10 30 AFEERN C=CCCC[C@H](C)C(=O)CC 70592996 571675057 /nfs/dbraw/zinc/67/50/57/571675057.db2.gz RXRRSRPHULQHEZ-VIFPVBQESA-N 0 0 154.253 2.958 10 30 AFEERN C=CCCCC(=O)CC(F)(F)F 70593495 571675072 /nfs/dbraw/zinc/67/50/72/571675072.db2.gz UPGRTTUSFZRTGQ-UHFFFAOYSA-N 0 0 180.169 2.864 10 30 AFEERN C=CCCC(=O)Cc1cccs1 70593541 571675073 /nfs/dbraw/zinc/67/50/73/571675073.db2.gz DZARFEAJUCRVKI-UHFFFAOYSA-N 0 0 180.272 2.826 10 30 AFEERN C=CCC[C@@H](O)CC(C)(C)C 70593981 571677685 /nfs/dbraw/zinc/67/76/85/571677685.db2.gz AAAAZVBNJYXHAH-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCCCC(=O)C1CC1 70592995 571675321 /nfs/dbraw/zinc/67/53/21/571675321.db2.gz IZVOOTPPHGXYDP-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCCC[C@@H](C)C(=O)CC 70592997 571675397 /nfs/dbraw/zinc/67/53/97/571675397.db2.gz RXRRSRPHULQHEZ-SECBINFHSA-N 0 0 154.253 2.958 10 30 AFEERN C=CCCSc1ccc(N)cc1 70592723 571675443 /nfs/dbraw/zinc/67/54/43/571675443.db2.gz LTGRKCBQNYRBJI-UHFFFAOYSA-N 0 0 179.288 2.937 10 30 AFEERN C=C[C@](C)(CO)C/C(C)=C/C 213822799 571675545 /nfs/dbraw/zinc/67/55/45/571675545.db2.gz RWUMYVCVCOENIQ-CYNRKNSPSA-N 0 0 154.253 2.527 10 30 AFEERN C=CCCOc1cccc([C@H](C)O)c1 70592814 571675551 /nfs/dbraw/zinc/67/55/51/571675551.db2.gz NLPNMPYUQDBCNB-JTQLQIEISA-N 0 0 192.258 2.695 10 30 AFEERN C=CCCCSc1ccncc1N 70592726 571675588 /nfs/dbraw/zinc/67/55/88/571675588.db2.gz QFDIHEASSVTQGE-UHFFFAOYSA-N 0 0 194.303 2.722 10 30 AFEERN N#CCc1ccccc1CCC(F)F 213828587 571675905 /nfs/dbraw/zinc/67/59/05/571675905.db2.gz MGUDNGRAMJOSMZ-UHFFFAOYSA-N 0 0 195.212 2.950 10 30 AFEERN C=CCCCCc1cccnc1N 70595786 571678542 /nfs/dbraw/zinc/67/85/42/571678542.db2.gz WGHNJQLJGNMDEB-UHFFFAOYSA-N 0 0 176.263 2.563 10 30 AFEERN C=CCCCC(=O)c1cccc(C)n1 70593592 571676031 /nfs/dbraw/zinc/67/60/31/571676031.db2.gz DOIRXBBEVDSFGF-UHFFFAOYSA-N 0 0 189.258 2.929 10 30 AFEERN C=CCC[C@H](O)Cc1ccc(F)cc1 70593693 571676059 /nfs/dbraw/zinc/67/60/59/571676059.db2.gz ILMUBBOGUUTGRG-LBPRGKRZSA-N 0 0 194.249 2.695 10 30 AFEERN C=CCC[C@H](O)Cc1ccccc1F 70593787 571676095 /nfs/dbraw/zinc/67/60/95/571676095.db2.gz LTEUFOPHHHRXAS-NSHDSACASA-N 0 0 194.249 2.695 10 30 AFEERN C=CCC[C@H](O)Cc1ccc(C)cc1 70593852 571676117 /nfs/dbraw/zinc/67/61/17/571676117.db2.gz UZQVFJKACCHDRD-ZDUSSCGKSA-N 0 0 190.286 2.865 10 30 AFEERN C=CCC[C@@H](O)Cc1ccc(C)cc1 70593851 571676152 /nfs/dbraw/zinc/67/61/52/571676152.db2.gz UZQVFJKACCHDRD-CYBMUJFWSA-N 0 0 190.286 2.865 10 30 AFEERN N#CCc1cccc(CCC(F)F)c1 213828726 571676176 /nfs/dbraw/zinc/67/61/76/571676176.db2.gz YGRZDMPIXBLBLD-UHFFFAOYSA-N 0 0 195.212 2.950 10 30 AFEERN C=CCCCC(=O)[C@@H](C)CC 70593598 571676199 /nfs/dbraw/zinc/67/61/99/571676199.db2.gz AKHMRUAQHKQYRE-VIFPVBQESA-N 0 0 154.253 2.958 10 30 AFEERN C=CCC[C@H](O)Cc1cccc(F)c1 70593757 571676204 /nfs/dbraw/zinc/67/62/04/571676204.db2.gz RXJWLIKGTASAQB-LBPRGKRZSA-N 0 0 194.249 2.695 10 30 AFEERN C=C[C@@](C)(CO)C/C(C)=C/C 213822935 571676206 /nfs/dbraw/zinc/67/62/06/571676206.db2.gz RWUMYVCVCOENIQ-NAZIUFLLSA-N 0 0 154.253 2.527 10 30 AFEERN C=CCC[C@@H](O)c1cc(F)ccc1F 70593966 571676346 /nfs/dbraw/zinc/67/63/46/571676346.db2.gz AFSKKHFESYSIAJ-LLVKDONJSA-N 0 0 198.212 2.964 10 30 AFEERN C=CCCC(=O)Cc1nc(C)cs1 70593556 571676705 /nfs/dbraw/zinc/67/67/05/571676705.db2.gz FWDSUHQCLMHULR-UHFFFAOYSA-N 0 0 195.287 2.529 10 30 AFEERN C=CCCC[C@H](O)c1ncccc1C 70593814 571676371 /nfs/dbraw/zinc/67/63/71/571676371.db2.gz ANJUSRQVGWQGGM-NSHDSACASA-N 0 0 191.274 2.780 10 30 AFEERN C=CCCCC(=O)[C@H](C)CC 70593597 571676482 /nfs/dbraw/zinc/67/64/82/571676482.db2.gz AKHMRUAQHKQYRE-SECBINFHSA-N 0 0 154.253 2.958 10 30 AFEERN C=CCCC[C@@H](O)[C@H](C)CC 70593967 571676484 /nfs/dbraw/zinc/67/64/84/571676484.db2.gz XNZGTEHYUUUETC-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC(=O)CC(C)(C)C 70593601 571676584 /nfs/dbraw/zinc/67/65/84/571676584.db2.gz ULMPTHQTVUAXBK-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=CCC[C@H](O)c1ccc(F)c(F)c1 70593677 571676597 /nfs/dbraw/zinc/67/65/97/571676597.db2.gz RATTUAISMYLRIL-NSHDSACASA-N 0 0 198.212 2.964 10 30 AFEERN C=CCC[C@@H](O)Cc1cccc(C)c1 70593811 571676607 /nfs/dbraw/zinc/67/66/07/571676607.db2.gz KBGGGAAWFXZSAM-CYBMUJFWSA-N 0 0 190.286 2.865 10 30 AFEERN C=CCCC[C@@H](O)c1cccc(C)n1 70593959 571676609 /nfs/dbraw/zinc/67/66/09/571676609.db2.gz ISKRDNUKXMYWQG-GFCCVEGCSA-N 0 0 191.274 2.780 10 30 AFEERN C=CCCC(=O)c1cccc(C)n1 70593591 571676683 /nfs/dbraw/zinc/67/66/83/571676683.db2.gz HCSZEFYJIJLORJ-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C=CCC[C@@H](O)Cc1ccc(F)cc1 70593694 571676732 /nfs/dbraw/zinc/67/67/32/571676732.db2.gz ILMUBBOGUUTGRG-GFCCVEGCSA-N 0 0 194.249 2.695 10 30 AFEERN C=CCCC(=O)c1cc(C)ccn1 70593599 571676758 /nfs/dbraw/zinc/67/67/58/571676758.db2.gz PKZWPNFZYBQLLA-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C=CCC[C@H](O)Cc1cccc(C)c1 70593812 571676780 /nfs/dbraw/zinc/67/67/80/571676780.db2.gz KBGGGAAWFXZSAM-ZDUSSCGKSA-N 0 0 190.286 2.865 10 30 AFEERN N#CCc1ccc(SCCF)cc1 213864050 571676799 /nfs/dbraw/zinc/67/67/99/571676799.db2.gz FAMXBUQMTNPYEF-UHFFFAOYSA-N 0 0 195.262 2.814 10 30 AFEERN C=CCC[C@H](O)c1cc(F)cc(F)c1 70593797 571676933 /nfs/dbraw/zinc/67/69/33/571676933.db2.gz XIIIOSDHGBKTMI-NSHDSACASA-N 0 0 198.212 2.964 10 30 AFEERN C=CCC[C@H](O)c1cc(F)ccc1F 70593965 571676954 /nfs/dbraw/zinc/67/69/54/571676954.db2.gz AFSKKHFESYSIAJ-NSHDSACASA-N 0 0 198.212 2.964 10 30 AFEERN C=CCCC(=O)Cc1csc(C)n1 70593559 571676961 /nfs/dbraw/zinc/67/69/61/571676961.db2.gz UVPHYBTXECAMAN-UHFFFAOYSA-N 0 0 195.287 2.529 10 30 AFEERN C=CCC[C@@H](O)Cc1ccccc1C 70593805 571676969 /nfs/dbraw/zinc/67/69/69/571676969.db2.gz VHLMLABQTXSKOT-CYBMUJFWSA-N 0 0 190.286 2.865 10 30 AFEERN C=CCC[C@H](O)Cc1ccccc1 70593661 571676998 /nfs/dbraw/zinc/67/69/98/571676998.db2.gz UPRVHILNDBBHRP-LBPRGKRZSA-N 0 0 176.259 2.556 10 30 AFEERN C=CCCC[C@H](O)[C@H](C)CC 70593969 571677001 /nfs/dbraw/zinc/67/70/01/571677001.db2.gz XNZGTEHYUUUETC-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCCC(=O)c1cc(C)ccn1 70593600 571677036 /nfs/dbraw/zinc/67/70/36/571677036.db2.gz AMEXZDHYMSZFKF-UHFFFAOYSA-N 0 0 189.258 2.929 10 30 AFEERN C=CCC[C@H](O)Cc1cccs1 70593863 571677056 /nfs/dbraw/zinc/67/70/56/571677056.db2.gz ZSBUEYRMAVNQNK-VIFPVBQESA-N 0 0 182.288 2.618 10 30 AFEERN C=CCCC[C@H](O)[C@@H](C)CC 70593970 571677058 /nfs/dbraw/zinc/67/70/58/571677058.db2.gz XNZGTEHYUUUETC-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC[C@H](O)CC(F)(F)F 70593773 571677067 /nfs/dbraw/zinc/67/70/67/571677067.db2.gz QVTCAGLHVSMZDE-ZETCQYMHSA-N 0 0 182.185 2.656 10 30 AFEERN C=CCC[C@H](O)Cc1ccccc1C 70593806 571677075 /nfs/dbraw/zinc/67/70/75/571677075.db2.gz VHLMLABQTXSKOT-ZDUSSCGKSA-N 0 0 190.286 2.865 10 30 AFEERN C=CCC[C@@H](O)Cc1cccs1 70593864 571677397 /nfs/dbraw/zinc/67/73/97/571677397.db2.gz ZSBUEYRMAVNQNK-SECBINFHSA-N 0 0 182.288 2.618 10 30 AFEERN C=CCC[C@@H](O)Cc1ccccc1F 70593788 571677415 /nfs/dbraw/zinc/67/74/15/571677415.db2.gz LTEUFOPHHHRXAS-LLVKDONJSA-N 0 0 194.249 2.695 10 30 AFEERN C=CCCCC(=O)Cc1cccnc1 70593544 571677693 /nfs/dbraw/zinc/67/76/93/571677693.db2.gz FGKRLUMQAANFSY-UHFFFAOYSA-N 0 0 189.258 2.550 10 30 AFEERN C=CCC[C@@H](O)Cc1cccc(F)c1 70593758 571677454 /nfs/dbraw/zinc/67/74/54/571677454.db2.gz RXJWLIKGTASAQB-GFCCVEGCSA-N 0 0 194.249 2.695 10 30 AFEERN C=CCC[C@@H](O)c1cc(F)cc(F)c1 70593798 571677539 /nfs/dbraw/zinc/67/75/39/571677539.db2.gz XIIIOSDHGBKTMI-LLVKDONJSA-N 0 0 198.212 2.964 10 30 AFEERN C=CCCC[C@H](O)C1CCCC1 70593751 571677547 /nfs/dbraw/zinc/67/75/47/571677547.db2.gz CZRIKOLEBXDIBD-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC[C@@H](O)CCC(C)C 70593793 571677585 /nfs/dbraw/zinc/67/75/85/571677585.db2.gz YMFCVROCEDNDLT-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC[C@@H](O)Cc1ccccc1 70593662 571677607 /nfs/dbraw/zinc/67/76/07/571677607.db2.gz UPRVHILNDBBHRP-GFCCVEGCSA-N 0 0 176.259 2.556 10 30 AFEERN C=CCCCC(=O)Cc1ccncc1 70593546 571677640 /nfs/dbraw/zinc/67/76/40/571677640.db2.gz QGWRCTWLYHTVJS-UHFFFAOYSA-N 0 0 189.258 2.550 10 30 AFEERN C=CCC[C@@H](O)c1ccc(F)c(F)c1 70593678 571677651 /nfs/dbraw/zinc/67/76/51/571677651.db2.gz RATTUAISMYLRIL-LLVKDONJSA-N 0 0 198.212 2.964 10 30 AFEERN C=CCCC[C@H](O)c1cc(C)ccn1 70593976 571677705 /nfs/dbraw/zinc/67/77/05/571677705.db2.gz INFLQVJYOGPWDI-LBPRGKRZSA-N 0 0 191.274 2.780 10 30 AFEERN C=CCCC[C@H](O)c1cccc(C)n1 70593960 571677706 /nfs/dbraw/zinc/67/77/06/571677706.db2.gz ISKRDNUKXMYWQG-LBPRGKRZSA-N 0 0 191.274 2.780 10 30 AFEERN C=CCCCC(=O)c1ccoc1 70593607 571677769 /nfs/dbraw/zinc/67/77/69/571677769.db2.gz NPOLNCUDYPCCQT-UHFFFAOYSA-N 0 0 164.204 2.819 10 30 AFEERN C=CCCC[C@@H](O)CC(F)(F)F 70593774 571677793 /nfs/dbraw/zinc/67/77/93/571677793.db2.gz QVTCAGLHVSMZDE-SSDOTTSWSA-N 0 0 182.185 2.656 10 30 AFEERN C=CCCC[C@H](O)Cc1ccccc1 70593659 571677807 /nfs/dbraw/zinc/67/78/07/571677807.db2.gz PASQRAFFDCHBCX-ZDUSSCGKSA-N 0 0 190.286 2.946 10 30 AFEERN C=CCC[C@H](O)CCC(C)C 70593794 571677811 /nfs/dbraw/zinc/67/78/11/571677811.db2.gz YMFCVROCEDNDLT-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC[C@@H](O)C(C)(C)C 70593737 571677817 /nfs/dbraw/zinc/67/78/17/571677817.db2.gz QDAGTBJYQHAOBY-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC[C@@H](O)c1ncccc1C 70593813 571677907 /nfs/dbraw/zinc/67/79/07/571677907.db2.gz ANJUSRQVGWQGGM-LLVKDONJSA-N 0 0 191.274 2.780 10 30 AFEERN C=CCCC[C@@H](O)c1cc(C)ccn1 70593975 571677910 /nfs/dbraw/zinc/67/79/10/571677910.db2.gz INFLQVJYOGPWDI-GFCCVEGCSA-N 0 0 191.274 2.780 10 30 AFEERN C=CCCC[C@H](O)C(C)(C)C 70593738 571677928 /nfs/dbraw/zinc/67/79/28/571677928.db2.gz QDAGTBJYQHAOBY-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC[C@H](O)CC(C)(C)C 70593982 571677967 /nfs/dbraw/zinc/67/79/67/571677967.db2.gz AAAAZVBNJYXHAH-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC[C@@H](O)C1CCCC1 70593752 571677951 /nfs/dbraw/zinc/67/79/51/571677951.db2.gz CZRIKOLEBXDIBD-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCCC[C@@H](O)[C@@H](C)CC 70593968 571677995 /nfs/dbraw/zinc/67/79/95/571677995.db2.gz XNZGTEHYUUUETC-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC[C@@H](O)Cc1ccccc1 70593660 571678095 /nfs/dbraw/zinc/67/80/95/571678095.db2.gz PASQRAFFDCHBCX-CYBMUJFWSA-N 0 0 190.286 2.946 10 30 AFEERN C=CCN(CC=C)c1ccccc1O 205096532 571678377 /nfs/dbraw/zinc/67/83/77/571678377.db2.gz XSLIYIJIRANBHU-UHFFFAOYSA-N 0 0 189.258 2.571 10 30 AFEERN C=CCCC[C@H](CC)[C@@H](C)O 70595324 571678502 /nfs/dbraw/zinc/67/85/02/571678502.db2.gz ISQOIOHCADTRKS-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC[C@@H](C(C)C)[C@H](C)O 70595400 571678576 /nfs/dbraw/zinc/67/85/76/571678576.db2.gz MWFNRHDSUONTFN-UWVGGRQHSA-N 0 0 156.269 2.606 10 30 AFEERN C=CCCC[C@@H](C)[C@H](O)CC 70595410 571678740 /nfs/dbraw/zinc/67/87/40/571678740.db2.gz LRPSYYMAWVCKMF-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC[C@@H](C(C)C)[C@@H](C)O 70595398 571678863 /nfs/dbraw/zinc/67/88/63/571678863.db2.gz MWFNRHDSUONTFN-ZJUUUORDSA-N 0 0 156.269 2.606 10 30 AFEERN C=CCCC[C@@H](CC)[C@@H](C)O 70595325 571678868 /nfs/dbraw/zinc/67/88/68/571678868.db2.gz ISQOIOHCADTRKS-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN N#CCc1cccc(SCCF)c1 213864378 571678881 /nfs/dbraw/zinc/67/88/81/571678881.db2.gz FTIFPZNHJAXZQX-UHFFFAOYSA-N 0 0 195.262 2.814 10 30 AFEERN C=CCCCC[C@H](O)C1CC1 70595401 571678973 /nfs/dbraw/zinc/67/89/73/571678973.db2.gz HHSQTVXCLUBUOO-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN O/N=C1\CCC[C@H](C(F)(F)F)C1 84837238 571679074 /nfs/dbraw/zinc/67/90/74/571679074.db2.gz QRDBEVXFSSCNQS-ZVXAHTMHSA-N 0 0 181.157 2.569 10 30 AFEERN N#CCc1ccccc1SCCF 213864681 571679108 /nfs/dbraw/zinc/67/91/08/571679108.db2.gz XLNIBAPBELYHGS-UHFFFAOYSA-N 0 0 195.262 2.814 10 30 AFEERN C=CCCCc1cc(Cl)cnc1N 70595785 571679321 /nfs/dbraw/zinc/67/93/21/571679321.db2.gz RZSADNOEPGHSTG-UHFFFAOYSA-N 0 0 196.681 2.826 10 30 AFEERN C=CCC[C@H](C(C)C)[C@H](C)O 70595399 571679672 /nfs/dbraw/zinc/67/96/72/571679672.db2.gz MWFNRHDSUONTFN-VHSXEESVSA-N 0 0 156.269 2.606 10 30 AFEERN C=CC/C(=C/CCC(=C)C)CO 213886358 571679722 /nfs/dbraw/zinc/67/97/22/571679722.db2.gz MAYHQVSVTKFCAT-FLIBITNWSA-N 0 0 166.264 2.838 10 30 AFEERN C=CCCC[C@H](C)[C@H](O)CC 70595408 571679749 /nfs/dbraw/zinc/67/97/49/571679749.db2.gz LRPSYYMAWVCKMF-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCCC[C@@H](O)C1CC1 70595402 571679754 /nfs/dbraw/zinc/67/97/54/571679754.db2.gz HHSQTVXCLUBUOO-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCCC[C@H](C)[C@@H](O)CC 70595407 571679831 /nfs/dbraw/zinc/67/98/31/571679831.db2.gz LRPSYYMAWVCKMF-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC[C@@H](C)[C@@H](O)CC 70595409 571679848 /nfs/dbraw/zinc/67/98/48/571679848.db2.gz LRPSYYMAWVCKMF-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC[C@@H](CC)[C@H](C)O 70595327 571679850 /nfs/dbraw/zinc/67/98/50/571679850.db2.gz ISQOIOHCADTRKS-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN C=CC[C@H](O)[C@H](C)Cc1ccccc1 213882888 571680292 /nfs/dbraw/zinc/68/02/92/571680292.db2.gz XKVMASCMLWABHS-YPMHNXCESA-N 0 0 190.286 2.802 10 30 AFEERN CCCC[C@@H](O)CC1=CC(=O)CCC1 213881647 571680481 /nfs/dbraw/zinc/68/04/81/571680481.db2.gz RTLIPNRGLPKQSQ-LLVKDONJSA-N 0 0 196.290 2.607 10 30 AFEERN C=CCCC[C@H](CC)[C@H](C)O 70595326 571680507 /nfs/dbraw/zinc/68/05/07/571680507.db2.gz ISQOIOHCADTRKS-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CC[C@H](O)[C@@H](C)Cc1ccccc1 213882825 571680700 /nfs/dbraw/zinc/68/07/00/571680700.db2.gz XKVMASCMLWABHS-AAEUAGOBSA-N 0 0 190.286 2.802 10 30 AFEERN C=CCC[C@H](C(C)C)[C@@H](C)O 70595397 571680704 /nfs/dbraw/zinc/68/07/04/571680704.db2.gz MWFNRHDSUONTFN-NXEZZACHSA-N 0 0 156.269 2.606 10 30 AFEERN CCCC[C@H](O)CC1=CC(=O)CCC1 213881584 571681164 /nfs/dbraw/zinc/68/11/64/571681164.db2.gz RTLIPNRGLPKQSQ-NSHDSACASA-N 0 0 196.290 2.607 10 30 AFEERN C#CCCCCC#CCCCCCO 34568303 571682114 /nfs/dbraw/zinc/68/21/14/571682114.db2.gz HFCAEIGRZHHTFR-UHFFFAOYSA-N 0 0 192.302 2.736 10 30 AFEERN O/N=C1\CCC[C@@H](C(F)(F)F)C1 84837239 571682213 /nfs/dbraw/zinc/68/22/13/571682213.db2.gz QRDBEVXFSSCNQS-WXEKBURVSA-N 0 0 181.157 2.569 10 30 AFEERN CC(C)[C@@H](C#N)[C@H]1CCCOCC1 213945710 571682685 /nfs/dbraw/zinc/68/26/85/571682685.db2.gz VNJFKQOMSSPZMJ-WDEREUQCSA-N 0 0 181.279 2.599 10 30 AFEERN CC(C)[C@@H](C#N)[C@@H]1CCCCCO1 213944761 571684075 /nfs/dbraw/zinc/68/40/75/571684075.db2.gz KALASCUOAWWGOW-MNOVXSKESA-N 0 0 181.279 2.741 10 30 AFEERN CC(C)[C@@H](C#N)[C@H]1CCCCCO1 213944871 571684088 /nfs/dbraw/zinc/68/40/88/571684088.db2.gz KALASCUOAWWGOW-GHMZBOCLSA-N 0 0 181.279 2.741 10 30 AFEERN CC(C)[C@H](C#N)[C@@H]1CCCCCO1 213944815 571684179 /nfs/dbraw/zinc/68/41/79/571684179.db2.gz KALASCUOAWWGOW-QWRGUYRKSA-N 0 0 181.279 2.741 10 30 AFEERN C=C(CC)CC(=O)[C@H](CCC)OC 131908009 571684200 /nfs/dbraw/zinc/68/42/00/571684200.db2.gz ILBBPQIWJKLUEN-NSHDSACASA-N 0 0 184.279 2.727 10 30 AFEERN CC(C)[C@H](C#N)[C@H]1CCCOCC1 213945768 571684334 /nfs/dbraw/zinc/68/43/34/571684334.db2.gz VNJFKQOMSSPZMJ-QWRGUYRKSA-N 0 0 181.279 2.599 10 30 AFEERN CC(C)[C@H](C#N)[C@H]1CCCCCO1 213944935 571685173 /nfs/dbraw/zinc/68/51/73/571685173.db2.gz KALASCUOAWWGOW-WDEREUQCSA-N 0 0 181.279 2.741 10 30 AFEERN C=CC[C@H](C)C[C@@H](O)C(C)(C)C 213904498 571687056 /nfs/dbraw/zinc/68/70/56/571687056.db2.gz ZWJSWBQIOSXTQM-VHSXEESVSA-N 0 0 170.296 2.996 10 30 AFEERN CC(C)[C@@H](C#N)[C@@H]1CCCCOC1 213944359 571687439 /nfs/dbraw/zinc/68/74/39/571687439.db2.gz YVDIPJGAQHDSCP-GHMZBOCLSA-N 0 0 181.279 2.599 10 30 AFEERN CC(C)[C@H](C#N)[C@H]1CCCCOC1 213944536 571688684 /nfs/dbraw/zinc/68/86/84/571688684.db2.gz YVDIPJGAQHDSCP-QWRGUYRKSA-N 0 0 181.279 2.599 10 30 AFEERN CC(C)CN(C)C1(C#N)CCCCC1 687715314 571688711 /nfs/dbraw/zinc/68/87/11/571688711.db2.gz JGRRWKBVCZHEFT-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@H](O)CCC#CC(C)(C)C 300751151 571689279 /nfs/dbraw/zinc/68/92/79/571689279.db2.gz LEGLLKKQFHBGQN-JTQLQIEISA-N 0 0 168.280 2.587 10 30 AFEERN Cc1cc(CC#N)cc2cc[nH]c12 213973278 571689283 /nfs/dbraw/zinc/68/92/83/571689283.db2.gz VYZDSKXZOXRZHD-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN Cc1cccc2cc(CC#N)[nH]c12 213972874 571689309 /nfs/dbraw/zinc/68/93/09/571689309.db2.gz OGJYLXPIQDJZAA-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN C[C@H]1C/C(=N/O)CC(C)(C)C1 57324183 571690228 /nfs/dbraw/zinc/69/02/28/571690228.db2.gz SBIKADHZIPDOHC-SGXDDJEGSA-N 0 0 155.241 2.663 10 30 AFEERN CC1=CC[C@]2(CC1)OC2(C)C 5767208 571690533 /nfs/dbraw/zinc/69/05/33/571690533.db2.gz RTLTXXDTPFWZLO-SNVBAGLBSA-N 0 0 152.237 2.664 10 30 endogenous,in-man AFEERN C=CCN[C@@]1(C#N)CCC[C@H](CC)C1 70563254 571690834 /nfs/dbraw/zinc/69/08/34/571690834.db2.gz AWVYRNKNMPGXQS-RYUDHWBXSA-N 0 0 192.306 2.625 10 30 AFEERN N#C[C@@H](C1CCC1)[C@@H]1CCCS1 213946781 571690881 /nfs/dbraw/zinc/69/08/81/571690881.db2.gz LPLLZKSQHXTHPA-UWVGGRQHSA-N 0 0 181.304 2.822 10 30 AFEERN C[C@@H]1C/C(=N/O)CC(C)(C)C1 57324182 571691054 /nfs/dbraw/zinc/69/10/54/571691054.db2.gz SBIKADHZIPDOHC-JAGWFPCYSA-N 0 0 155.241 2.663 10 30 AFEERN N#C[C@H](C1CCCC1)[C@@H]1CCS1 213946986 571691282 /nfs/dbraw/zinc/69/12/82/571691282.db2.gz FXUXJFJARMRUAS-ZJUUUORDSA-N 0 0 181.304 2.822 10 30 AFEERN N#C[C@H](C1CCSCC1)C1CC1 213947325 571691308 /nfs/dbraw/zinc/69/13/08/571691308.db2.gz GEUUZGNRFBJBPA-JTQLQIEISA-N 0 0 181.304 2.679 10 30 AFEERN N#C[C@H](C1CCC1)[C@@H]1CCCS1 213946717 571691439 /nfs/dbraw/zinc/69/14/39/571691439.db2.gz LPLLZKSQHXTHPA-ZJUUUORDSA-N 0 0 181.304 2.822 10 30 AFEERN N#C[C@@H](C1CCC1)[C@H]1CCCS1 213946894 571691468 /nfs/dbraw/zinc/69/14/68/571691468.db2.gz LPLLZKSQHXTHPA-VHSXEESVSA-N 0 0 181.304 2.822 10 30 AFEERN N#C[C@H](C1CCC1)[C@@H]1CCSC1 213948346 571691659 /nfs/dbraw/zinc/69/16/59/571691659.db2.gz GGIJTNLGSSDSBW-NXEZZACHSA-N 0 0 181.304 2.679 10 30 AFEERN CCCN[C@@]1(C#N)CCC[C@@H](CC)C1 70563190 571691715 /nfs/dbraw/zinc/69/17/15/571691715.db2.gz XJQGKQWHKFTXAU-NEPJUHHUSA-N 0 0 194.322 2.849 10 30 AFEERN N#C[C@H](C1CC1)[C@H]1CCCSC1 213948206 571691751 /nfs/dbraw/zinc/69/17/51/571691751.db2.gz XVNUJPFMYLEZFQ-VHSXEESVSA-N 0 0 181.304 2.679 10 30 AFEERN N#C[C@H](C1CC1)[C@@H]1CCCSC1 213948263 571691894 /nfs/dbraw/zinc/69/18/94/571691894.db2.gz XVNUJPFMYLEZFQ-NXEZZACHSA-N 0 0 181.304 2.679 10 30 AFEERN CCCN[C@]1(C#N)CCC[C@@H](CC)C1 70563189 571691924 /nfs/dbraw/zinc/69/19/24/571691924.db2.gz XJQGKQWHKFTXAU-VXGBXAGGSA-N 0 0 194.322 2.849 10 30 AFEERN N#C[C@@H](C1CCCC1)[C@H]1CCS1 213947180 571692128 /nfs/dbraw/zinc/69/21/28/571692128.db2.gz FXUXJFJARMRUAS-VHSXEESVSA-N 0 0 181.304 2.822 10 30 AFEERN C=CCN[C@@]1(C#N)CCC[C@@H](CC)C1 70563253 571692303 /nfs/dbraw/zinc/69/23/03/571692303.db2.gz AWVYRNKNMPGXQS-NEPJUHHUSA-N 0 0 192.306 2.625 10 30 AFEERN N#C[C@H](C1CCCC1)[C@H]1CCS1 213947110 571692320 /nfs/dbraw/zinc/69/23/20/571692320.db2.gz FXUXJFJARMRUAS-NXEZZACHSA-N 0 0 181.304 2.822 10 30 AFEERN N#C[C@H](C1CCCC1)C1CSC1 213948597 571692415 /nfs/dbraw/zinc/69/24/15/571692415.db2.gz UCDUIKVQLVHVGX-SNVBAGLBSA-N 0 0 181.304 2.679 10 30 AFEERN N#C[C@@H](C1CCCC1)[C@@H]1CCS1 213947052 571692863 /nfs/dbraw/zinc/69/28/63/571692863.db2.gz FXUXJFJARMRUAS-UWVGGRQHSA-N 0 0 181.304 2.822 10 30 AFEERN N#C[C@@H](C1CCC1)[C@@H]1CCSC1 213948402 571692515 /nfs/dbraw/zinc/69/25/15/571692515.db2.gz GGIJTNLGSSDSBW-ZJUUUORDSA-N 0 0 181.304 2.679 10 30 AFEERN N#C[C@@H](C1CCC1)[C@H]1CCSC1 213948512 571692544 /nfs/dbraw/zinc/69/25/44/571692544.db2.gz GGIJTNLGSSDSBW-UWVGGRQHSA-N 0 0 181.304 2.679 10 30 AFEERN N#C[C@H](C1CCC1)[C@H]1CCSC1 213948457 571692552 /nfs/dbraw/zinc/69/25/52/571692552.db2.gz GGIJTNLGSSDSBW-VHSXEESVSA-N 0 0 181.304 2.679 10 30 AFEERN N#C[C@@H](C1CCCC1)C1CSC1 213948655 571692660 /nfs/dbraw/zinc/69/26/60/571692660.db2.gz UCDUIKVQLVHVGX-JTQLQIEISA-N 0 0 181.304 2.679 10 30 AFEERN CC(C)=CCC1=CCCC1=O 138773570 571692689 /nfs/dbraw/zinc/69/26/89/571692689.db2.gz AFEWNMQTVFUWJK-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CCCN[C@@]1(C#N)CCC[C@H](CC)C1 70563188 571692775 /nfs/dbraw/zinc/69/27/75/571692775.db2.gz XJQGKQWHKFTXAU-RYUDHWBXSA-N 0 0 194.322 2.849 10 30 AFEERN CCCN[C@]1(C#N)CCC[C@H](CC)C1 70563187 571693033 /nfs/dbraw/zinc/69/30/33/571693033.db2.gz XJQGKQWHKFTXAU-NWDGAFQWSA-N 0 0 194.322 2.849 10 30 AFEERN C=CCN[C@]1(C#N)CCC[C@H](CC)C1 70563252 571693040 /nfs/dbraw/zinc/69/30/40/571693040.db2.gz AWVYRNKNMPGXQS-NWDGAFQWSA-N 0 0 192.306 2.625 10 30 AFEERN C=CCN[C@]1(C#N)CCC[C@@H](CC)C1 70563251 571693180 /nfs/dbraw/zinc/69/31/80/571693180.db2.gz AWVYRNKNMPGXQS-VXGBXAGGSA-N 0 0 192.306 2.625 10 30 AFEERN N#C[C@H](C1CCC1)[C@H]1CCCS1 213946835 571693483 /nfs/dbraw/zinc/69/34/83/571693483.db2.gz LPLLZKSQHXTHPA-NXEZZACHSA-N 0 0 181.304 2.822 10 30 AFEERN N#C[C@@H](C1CC1)[C@H]1CCCCS1 213946521 571693486 /nfs/dbraw/zinc/69/34/86/571693486.db2.gz ZOJRGRJGQPZHEH-VHSXEESVSA-N 0 0 181.304 2.822 10 30 AFEERN N#C[C@@H](C1CC1)[C@H]1CCCSC1 213947411 571693561 /nfs/dbraw/zinc/69/35/61/571693561.db2.gz XVNUJPFMYLEZFQ-UWVGGRQHSA-N 0 0 181.304 2.679 10 30 AFEERN CC(C)CC(C=O)=C(O)C(C)C 118568236 571695019 /nfs/dbraw/zinc/69/50/19/571695019.db2.gz IVNVYIIFAZIYJC-RMKNXTFCSA-N 0 0 170.252 2.700 10 30 AFEERN N#C[C@@H](C1CC1)[C@@H]1CCCSC1 213948157 571693703 /nfs/dbraw/zinc/69/37/03/571693703.db2.gz XVNUJPFMYLEZFQ-ZJUUUORDSA-N 0 0 181.304 2.679 10 30 AFEERN CCCN[C@]1(C#N)CCCC[C@@H]1CC 70568444 571694096 /nfs/dbraw/zinc/69/40/96/571694096.db2.gz GUTSXVOCDMKILZ-RYUDHWBXSA-N 0 0 194.322 2.849 10 30 AFEERN CC[C@@H]1CCC[C@@H](OCCC=O)C1 70564580 571694128 /nfs/dbraw/zinc/69/41/28/571694128.db2.gz OFDCIVXYKGQSAJ-GHMZBOCLSA-N 0 0 184.279 2.561 10 30 AFEERN CCOc1ccc(F)cc1CS 57340309 571694209 /nfs/dbraw/zinc/69/42/09/571694209.db2.gz WEKTZWOKJSNEPB-UHFFFAOYSA-N 0 0 186.251 2.654 10 30 AFEERN CC[C@@H]1CCC[C@@H](OCCC#N)C1 70564468 571694217 /nfs/dbraw/zinc/69/42/17/571694217.db2.gz QIEWNZVWQADYGG-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN C=C/C=C/[C@H](CCCCC)OCC=O 213967787 571694287 /nfs/dbraw/zinc/69/42/87/571694287.db2.gz IUVCPIAGPMJAEK-WAFBPQNNSA-N 0 0 196.290 2.893 10 30 AFEERN CCC(C)(C)[C@H]1CC[C@@H]2O[C@@H]2C1 22223615 571694482 /nfs/dbraw/zinc/69/44/82/571694482.db2.gz MYCXMTSERDWHNH-LPEHRKFASA-N 0 0 168.280 2.990 10 30 AFEERN CC[C@H]1CCC[C@H](OCCC=O)C1 70564579 571694603 /nfs/dbraw/zinc/69/46/03/571694603.db2.gz OFDCIVXYKGQSAJ-QWRGUYRKSA-N 0 0 184.279 2.561 10 30 AFEERN C=CCN[C@]1(C#N)CCCC[C@H]1CC 70568512 571694694 /nfs/dbraw/zinc/69/46/94/571694694.db2.gz ZTZSKCLPGWQWJT-NEPJUHHUSA-N 0 0 192.306 2.625 10 30 AFEERN CC[C@H]1CCC[C@H](O[C@@H](C)C#N)C1 70564471 571694720 /nfs/dbraw/zinc/69/47/20/571694720.db2.gz AGUOOQFTCSBQGX-DCAQKATOSA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@H]1CCC[C@@H](OCCC=O)C1 70564581 571694734 /nfs/dbraw/zinc/69/47/34/571694734.db2.gz OFDCIVXYKGQSAJ-WDEREUQCSA-N 0 0 184.279 2.561 10 30 AFEERN CC[C@H]1CCC[C@@H](OCCC#N)C1 70564469 571694796 /nfs/dbraw/zinc/69/47/96/571694796.db2.gz QIEWNZVWQADYGG-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN C=CCN[C@]1(C#N)CCCC[C@@H]1CC 70568513 571694832 /nfs/dbraw/zinc/69/48/32/571694832.db2.gz ZTZSKCLPGWQWJT-RYUDHWBXSA-N 0 0 192.306 2.625 10 30 AFEERN CC[C@@H]1CCC[C@H](N(CC)CC#N)C1 70565102 571694853 /nfs/dbraw/zinc/69/48/53/571694853.db2.gz CVZWOSSSHRGRNX-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@H]1CCC[C@H](OCCC=O)C1 70564578 571694977 /nfs/dbraw/zinc/69/49/77/571694977.db2.gz OFDCIVXYKGQSAJ-MNOVXSKESA-N 0 0 184.279 2.561 10 30 AFEERN C=CCN[C@@]1(C#N)CCCC[C@@H]1CC 70568515 571695047 /nfs/dbraw/zinc/69/50/47/571695047.db2.gz ZTZSKCLPGWQWJT-NWDGAFQWSA-N 0 0 192.306 2.625 10 30 AFEERN CC[C@@H]1CCC[C@H](OCCC#N)C1 70564466 571695088 /nfs/dbraw/zinc/69/50/88/571695088.db2.gz QIEWNZVWQADYGG-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN CCCN[C@@]1(C#N)CCCC[C@@H]1CC 70568445 571695155 /nfs/dbraw/zinc/69/51/55/571695155.db2.gz GUTSXVOCDMKILZ-NWDGAFQWSA-N 0 0 194.322 2.849 10 30 AFEERN CC[C@@H]1CCC[C@@H](N(CC)CC#N)C1 70565104 571695173 /nfs/dbraw/zinc/69/51/73/571695173.db2.gz CVZWOSSSHRGRNX-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN C=CCN[C@@]1(C#N)CCCC[C@H]1CC 70568514 571695294 /nfs/dbraw/zinc/69/52/94/571695294.db2.gz ZTZSKCLPGWQWJT-VXGBXAGGSA-N 0 0 192.306 2.625 10 30 AFEERN CC[C@H]1CCC[C@H](N(CC)CC#N)C1 70565103 571695452 /nfs/dbraw/zinc/69/54/52/571695452.db2.gz CVZWOSSSHRGRNX-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@H]1CCC[C@H](OCCC#N)C1 70564467 571695507 /nfs/dbraw/zinc/69/55/07/571695507.db2.gz QIEWNZVWQADYGG-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CCCN[C@@]1(C#N)CCCC[C@H]1CC 70568447 571695521 /nfs/dbraw/zinc/69/55/21/571695521.db2.gz GUTSXVOCDMKILZ-VXGBXAGGSA-N 0 0 194.322 2.849 10 30 AFEERN CC[C@H]1CCC[C@H](N(C)[C@@H](C)C#N)C1 70565107 571695626 /nfs/dbraw/zinc/69/56/26/571695626.db2.gz GKQNKBZHSYHTPE-SRVKXCTJSA-N 0 0 194.322 2.799 10 30 AFEERN C=CCCCC1([C@@H](C)O)CC1 235230370 571696794 /nfs/dbraw/zinc/69/67/94/571696794.db2.gz IDLOPFNAOHAINT-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN CC#CCCCC(=O)/C=C\C(C)C 225827391 571696039 /nfs/dbraw/zinc/69/60/39/571696039.db2.gz LNOAHRNOVSPPEL-KTKRTIGZSA-N 0 0 178.275 2.961 10 30 AFEERN Cc1sc(CC#N)c(C)c1C 213965307 571696046 /nfs/dbraw/zinc/69/60/46/571696046.db2.gz CJSHARJTJZVOHX-UHFFFAOYSA-N 0 0 165.261 2.739 10 30 AFEERN CC[C@H]1CCC[C@@H](O[C@@H](C)C#N)C1 70564473 571696235 /nfs/dbraw/zinc/69/62/35/571696235.db2.gz AGUOOQFTCSBQGX-GARJFASQSA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@H]1CCC[C@@H](N(C)[C@@H](C)C#N)C1 70565109 571696362 /nfs/dbraw/zinc/69/63/62/571696362.db2.gz GKQNKBZHSYHTPE-SDDRHHMPSA-N 0 0 194.322 2.799 10 30 AFEERN CCCN[C@]1(C#N)CCCC[C@H]1CC 70568446 571696389 /nfs/dbraw/zinc/69/63/89/571696389.db2.gz GUTSXVOCDMKILZ-NEPJUHHUSA-N 0 0 194.322 2.849 10 30 AFEERN CC[C@H]1CCC[C@@H](N(CC)CC#N)C1 70565105 571696752 /nfs/dbraw/zinc/69/67/52/571696752.db2.gz CVZWOSSSHRGRNX-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN Cc1cc2ccc(CC#N)cc2o1 213991470 571697215 /nfs/dbraw/zinc/69/72/15/571697215.db2.gz PHMDLJDAKVXYTM-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN C=CC[C@@](C)(CO)c1cccc(C)c1 388669520 571697475 /nfs/dbraw/zinc/69/74/75/571697475.db2.gz CQZXXNGEVBCWOQ-ZDUSSCGKSA-N 0 0 190.286 2.821 10 30 AFEERN Cc1ccc2cc(CC#N)oc2c1 213991125 571697830 /nfs/dbraw/zinc/69/78/30/571697830.db2.gz XMKNXWOUXYFARF-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN CCCCCC/C=C\C#CCO 213990305 571698123 /nfs/dbraw/zinc/69/81/23/571698123.db2.gz LEKHCELEDPJPRH-FPLPWBNLSA-N 0 0 166.264 2.509 10 30 AFEERN Cc1cc2cccc(CC#N)c2o1 213991306 571698182 /nfs/dbraw/zinc/69/81/82/571698182.db2.gz ZLPXMMCKQKMPLK-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN Cc1coc2cc(CC#N)ccc12 213991388 571698922 /nfs/dbraw/zinc/69/89/22/571698922.db2.gz LOLLBZOZZMFLQL-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN C=CC(=O)/C(=C\CCC)CC 225761423 571698948 /nfs/dbraw/zinc/69/89/48/571698948.db2.gz DKJXMXVYPVORCL-HJWRWDBZSA-N 0 0 152.237 2.878 10 30 AFEERN Cc1coc2cccc(CC#N)c12 213991731 571699207 /nfs/dbraw/zinc/69/92/07/571699207.db2.gz VKZVCAMEFBXZJW-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN Cc1cc2c(CC#N)cccc2o1 213991652 571699380 /nfs/dbraw/zinc/69/93/80/571699380.db2.gz AWSKHRJBPCAEAU-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN Cc1coc2c(CC#N)cccc12 213991207 571699499 /nfs/dbraw/zinc/69/94/99/571699499.db2.gz VQFSNTMONHLTQE-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN C=CCCOc1ccc(NC)cc1 70622006 571699924 /nfs/dbraw/zinc/69/99/24/571699924.db2.gz LIAMHRUPGKOVFG-UHFFFAOYSA-N 0 0 177.247 2.683 10 30 AFEERN C/C(Cl)=C\C(=O)C(C)(C)C 214002082 571700225 /nfs/dbraw/zinc/70/02/25/571700225.db2.gz SOUUUJFXYZINMK-AATRIKPKSA-N 0 0 160.644 2.744 10 30 AFEERN CC(C)[C@@H](C#N)C1CCSCC1 213996680 571700262 /nfs/dbraw/zinc/70/02/62/571700262.db2.gz DTYZRUFABWBWFA-SNVBAGLBSA-N 0 0 183.320 2.925 10 30 AFEERN C[C@H]1CCc2ccc(CC#N)cc21 214006816 571700297 /nfs/dbraw/zinc/70/02/97/571700297.db2.gz QAYYOFHLGSIVIJ-VIFPVBQESA-N 0 0 171.243 2.802 10 30 AFEERN CC(C)[C@@H](C#N)[C@H]1CCCSC1 213996929 571700319 /nfs/dbraw/zinc/70/03/19/571700319.db2.gz MKPZNUVIZLSRAN-VHSXEESVSA-N 0 0 183.320 2.925 10 30 AFEERN CC(C)[C@H](C#N)[C@@H]1CCCSC1 213996864 571700744 /nfs/dbraw/zinc/70/07/44/571700744.db2.gz MKPZNUVIZLSRAN-ZJUUUORDSA-N 0 0 183.320 2.925 10 30 AFEERN CCCCCCCN1CCC(=O)CC1 101780331 571700929 /nfs/dbraw/zinc/70/09/29/571700929.db2.gz VQJLAWYICARKLL-UHFFFAOYSA-N 0 0 197.322 2.622 10 30 AFEERN N#Cc1ccc(OCCC(F)F)cc1 213996620 571701093 /nfs/dbraw/zinc/70/10/93/571701093.db2.gz SLXQOZSYUNROIW-UHFFFAOYSA-N 0 0 197.184 2.592 10 30 AFEERN CC(C)[C@@H](C#N)[C@@H]1CCCSC1 213996816 571701208 /nfs/dbraw/zinc/70/12/08/571701208.db2.gz MKPZNUVIZLSRAN-NXEZZACHSA-N 0 0 183.320 2.925 10 30 AFEERN CC(C)[C@H](C#N)[C@H]1CCCSC1 213996987 571701479 /nfs/dbraw/zinc/70/14/79/571701479.db2.gz MKPZNUVIZLSRAN-UWVGGRQHSA-N 0 0 183.320 2.925 10 30 AFEERN CC1(/C=C\C(=O)C(C)(C)C)CC1 214013401 571701670 /nfs/dbraw/zinc/70/16/70/571701670.db2.gz MLORIZUOQJTZID-WAYWQWQTSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1CCc2ccc(CC#N)cc21 214006762 571702190 /nfs/dbraw/zinc/70/21/90/571702190.db2.gz QAYYOFHLGSIVIJ-SECBINFHSA-N 0 0 171.243 2.802 10 30 AFEERN C=C/C=C\C/C=C\CCC=O 168349526 571702249 /nfs/dbraw/zinc/70/22/49/571702249.db2.gz XNGIXADMMBFYIY-CWWKMNTPSA-N 0 0 150.221 2.654 10 30 AFEERN CC(C)[C@H](C#N)C1CCSCC1 213996736 571702523 /nfs/dbraw/zinc/70/25/23/571702523.db2.gz DTYZRUFABWBWFA-JTQLQIEISA-N 0 0 183.320 2.925 10 30 AFEERN N#Cc1ccccc1OCCC(F)F 213997112 571702541 /nfs/dbraw/zinc/70/25/41/571702541.db2.gz CXJBJROKWOPNMM-UHFFFAOYSA-N 0 0 197.184 2.592 10 30 AFEERN CCCc1cc(C#N)c(Cl)cn1 725374997 571702703 /nfs/dbraw/zinc/70/27/03/571702703.db2.gz AXOAAZLLTVGGLB-UHFFFAOYSA-N 0 0 180.638 2.559 10 30 AFEERN CC[C@H](C)OCc1cccc(C#N)c1 48264571 571703187 /nfs/dbraw/zinc/70/31/87/571703187.db2.gz CLCXADLQFISVAH-JTQLQIEISA-N 0 0 189.258 2.873 10 30 AFEERN CC[C@H](C)OCc1ccc(C#N)cc1 48264567 571703693 /nfs/dbraw/zinc/70/36/93/571703693.db2.gz UOVKDBPNYICLAB-JTQLQIEISA-N 0 0 189.258 2.873 10 30 AFEERN CCCCCCCCOCC#N 102023943 571703954 /nfs/dbraw/zinc/70/39/54/571703954.db2.gz LMDOEQSPNLVEAO-UHFFFAOYSA-N 0 0 169.268 2.887 10 30 AFEERN CC[C@H](C)Oc1ccc(C#N)cc1F 48264540 571704003 /nfs/dbraw/zinc/70/40/03/571704003.db2.gz MBBPDNUKHHUCRO-QMMMGPOBSA-N 0 0 193.221 2.875 10 30 AFEERN CC(C)c1ncc2cc(C#N)ccc2n1 214027944 571704262 /nfs/dbraw/zinc/70/42/62/571704262.db2.gz ZNVOXNPGBVBBNP-UHFFFAOYSA-N 0 0 197.241 2.625 10 30 AFEERN Cc1sc(CC#N)cc1Cl 214017637 571704740 /nfs/dbraw/zinc/70/47/40/571704740.db2.gz JUTLJOOJDZDZKQ-UHFFFAOYSA-N 0 0 171.652 2.776 10 30 AFEERN Cc1cnc2c(c1)c(C#N)cn2C1CC1 214028028 571704892 /nfs/dbraw/zinc/70/48/92/571704892.db2.gz WEDNZMGCOBITLY-UHFFFAOYSA-N 0 0 197.241 2.551 10 30 AFEERN CCCCCCC[S@@](=O)CC 226179173 571705137 /nfs/dbraw/zinc/70/51/37/571705137.db2.gz CMRFHZBAUMQHMA-NSHDSACASA-N 0 0 176.325 2.725 10 30 AFEERN CCCCCCCc1[nH]nc(N)c1C 106503392 571706089 /nfs/dbraw/zinc/70/60/89/571706089.db2.gz VQDQOICEFZSZDK-UHFFFAOYSA-N 0 0 195.310 2.813 10 30 AFEERN N#Cc1c2ccccc2n2ccccc12 113665545 571708032 /nfs/dbraw/zinc/70/80/32/571708032.db2.gz QELFBOAMZHGNAV-UHFFFAOYSA-N 0 0 192.221 2.964 10 30 AFEERN CCCCCCCc1n[nH]c(C)n1 106522658 571708082 /nfs/dbraw/zinc/70/80/82/571708082.db2.gz LNXGUMZJWWZMBA-UHFFFAOYSA-N 0 0 181.283 2.626 10 30 AFEERN N#Cc1ccc(/C=C\Br)o1 725379132 571708568 /nfs/dbraw/zinc/70/85/68/571708568.db2.gz DAMHALZEEXFRPE-ARJAWSKDSA-N 0 0 198.019 2.517 10 30 AFEERN CC(C)Cc1cc(C#N)c(Cl)cn1 725376769 571708605 /nfs/dbraw/zinc/70/86/05/571708605.db2.gz YIULRSDOWSOZOU-UHFFFAOYSA-N 0 0 194.665 2.805 10 30 AFEERN CCCCCCCCOCC(C)=O 102908391 571708628 /nfs/dbraw/zinc/70/86/28/571708628.db2.gz QPNSBGYAFLPDLY-UHFFFAOYSA-N 0 0 186.295 2.953 10 30 AFEERN CCCCCCCOCC(C)=O 102907971 571708740 /nfs/dbraw/zinc/70/87/40/571708740.db2.gz VBCRGDMQZXFSKH-UHFFFAOYSA-N 0 0 172.268 2.562 10 30 AFEERN CC[C@H](C)N[C@H](C#N)c1ccccc1 38064381 571711540 /nfs/dbraw/zinc/71/15/40/571711540.db2.gz YUIIRFDCWJMEPW-CMPLNLGQSA-N 0 0 188.274 2.639 10 30 AFEERN CC[C@H](C)N[C@@H](C#N)c1ccsc1 38064227 571711940 /nfs/dbraw/zinc/71/19/40/571711940.db2.gz LGIHVLBMFDNAES-WPRPVWTQSA-N 0 0 194.303 2.701 10 30 AFEERN CC[C@@H](C)N[C@@](C)(C#N)CC(C)C 38064574 571712218 /nfs/dbraw/zinc/71/22/18/571712218.db2.gz SXUUJQSCSDVJRR-GHMZBOCLSA-N 0 0 182.311 2.703 10 30 AFEERN CCCCC(=O)C=CNC(C)(C)C 214068972 571712284 /nfs/dbraw/zinc/71/22/84/571712284.db2.gz YKSPCSSVEUZKLF-CMDGGOBGSA-N 0 0 183.295 2.648 10 30 AFEERN CCCCOc1ccc(/C=N\O)cc1 100179233 571712595 /nfs/dbraw/zinc/71/25/95/571712595.db2.gz FGQNHITXRKKVHZ-XFXZXTDPSA-N 0 0 193.246 2.674 10 30 AFEERN CC[C@@H](C)N[C@H](C#N)c1ccccc1 38064380 571712652 /nfs/dbraw/zinc/71/26/52/571712652.db2.gz YUIIRFDCWJMEPW-ZYHUDNBSSA-N 0 0 188.274 2.639 10 30 AFEERN N#CC1(c2ccc3ncccc3c2)CC1 114680986 571712801 /nfs/dbraw/zinc/71/28/01/571712801.db2.gz YNNICWJGRNWWFW-UHFFFAOYSA-N 0 0 194.237 2.790 10 30 AFEERN CCS[C@H]1CCCC[C@@H]1C#N 37156017 571713808 /nfs/dbraw/zinc/71/38/08/571713808.db2.gz LJMLDLSOTJKSPI-BDAKNGLRSA-N 0 0 169.293 2.822 10 30 AFEERN N#Cc1cncc(F)c1-c1ccccc1 214085853 571713125 /nfs/dbraw/zinc/71/31/25/571713125.db2.gz DKJJHPASFFMTGW-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CC[C@H](C)N[C@@H](C#N)c1ccccc1 38064379 571713388 /nfs/dbraw/zinc/71/33/88/571713388.db2.gz YUIIRFDCWJMEPW-JQWIXIFHSA-N 0 0 188.274 2.639 10 30 AFEERN CCS[C@@H]1CCCC[C@@H]1C#N 37156015 571714075 /nfs/dbraw/zinc/71/40/75/571714075.db2.gz LJMLDLSOTJKSPI-RKDXNWHRSA-N 0 0 169.293 2.822 10 30 AFEERN CC(F)(F)CCn1ccc(CC#N)c1 214089596 571714353 /nfs/dbraw/zinc/71/43/53/571714353.db2.gz GLQWKWDZWMXYRK-UHFFFAOYSA-N 0 0 198.216 2.599 10 30 AFEERN CC[C@@H](C)N[C@@H](C#N)c1ccsc1 38064226 571714627 /nfs/dbraw/zinc/71/46/27/571714627.db2.gz LGIHVLBMFDNAES-SCZZXKLOSA-N 0 0 194.303 2.701 10 30 AFEERN N#Cc1c(C2CC2)[nH]c2ccc(O)cc12 214095951 571715170 /nfs/dbraw/zinc/71/51/70/571715170.db2.gz GOBXSAVXSUSRFS-UHFFFAOYSA-N 0 0 198.225 2.623 10 30 AFEERN C=CCc1cc2ccccc2nc1N 116609474 571715630 /nfs/dbraw/zinc/71/56/30/571715630.db2.gz OTKKFDLUQRUEPH-UHFFFAOYSA-N 0 0 184.242 2.546 10 30 AFEERN CC(F)(F)CCn1cccc1CC#N 214089679 571715825 /nfs/dbraw/zinc/71/58/25/571715825.db2.gz QEGJLOYPWRAIBJ-UHFFFAOYSA-N 0 0 198.216 2.599 10 30 AFEERN N#Cc1cccn1[C@@H]1CCCC[C@@H]1C#N 159505906 571716120 /nfs/dbraw/zinc/71/61/20/571716120.db2.gz SCPJVMPRUKKIMD-ZYHUDNBSSA-N 0 0 199.257 2.615 10 30 AFEERN CC[C@@H]1CC[C@](C#N)(NCC(C)C)C1 70644588 571717506 /nfs/dbraw/zinc/71/75/06/571717506.db2.gz RMGUQXRGTIYILB-NEPJUHHUSA-N 0 0 194.322 2.704 10 30 AFEERN Cc1cc([C@@H](C)C#N)c(C)cc1O 214109020 571717681 /nfs/dbraw/zinc/71/76/81/571717681.db2.gz BBSOMPOEHYBVBH-VIFPVBQESA-N 0 0 175.231 2.636 10 30 AFEERN CC[C@H](C)N[C@]1(C#N)CC[C@@H](CC)C1 70644742 571717684 /nfs/dbraw/zinc/71/76/84/571717684.db2.gz XQFDXWKDEXANJH-QJPTWQEYSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)(NCC(C)C)C1 70644586 571717802 /nfs/dbraw/zinc/71/78/02/571717802.db2.gz RMGUQXRGTIYILB-VXGBXAGGSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@H]1CC[C@@](C#N)(NCC(C)C)C1 70644587 571718057 /nfs/dbraw/zinc/71/80/57/571718057.db2.gz RMGUQXRGTIYILB-NWDGAFQWSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@H]1CC[C@](C#N)(NCC(C)C)C1 70644589 571718085 /nfs/dbraw/zinc/71/80/85/571718085.db2.gz RMGUQXRGTIYILB-RYUDHWBXSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)c1ccc(O)c(CC#N)c1 214108388 571718226 /nfs/dbraw/zinc/71/82/26/571718226.db2.gz OGRFTQKXEVEXHI-UHFFFAOYSA-N 0 0 175.231 2.582 10 30 AFEERN Cc1oc2c(c1CCC#N)CCC2 214111660 571718306 /nfs/dbraw/zinc/71/83/06/571718306.db2.gz HVMUKAYZODMJQI-UHFFFAOYSA-N 0 0 175.231 2.533 10 30 AFEERN Cc1oc2c(c1[C@H](C)C#N)CCC2 214111582 571718339 /nfs/dbraw/zinc/71/83/39/571718339.db2.gz WVMUPCUULAEYCO-SSDOTTSWSA-N 0 0 175.231 2.704 10 30 AFEERN Cc1ccc([C@@H](C)N[C@H](C)CC#N)o1 38097781 571718383 /nfs/dbraw/zinc/71/83/83/571718383.db2.gz WEFYAKZQKNGFNU-PSASIEDQSA-N 0 0 192.262 2.541 10 30 AFEERN CC(C)c1ccc(CC#N)c(O)c1 214108309 571718423 /nfs/dbraw/zinc/71/84/23/571718423.db2.gz GGYNDXXSBCZUCC-UHFFFAOYSA-N 0 0 175.231 2.582 10 30 AFEERN C#CCCCCCSCC 230557782 571718440 /nfs/dbraw/zinc/71/84/40/571718440.db2.gz HTNWMLZPINTFNW-UHFFFAOYSA-N 0 0 156.294 2.933 10 30 AFEERN Cc1cc(O)cc(C(C)(C)C#N)c1 214108802 571718510 /nfs/dbraw/zinc/71/85/10/571718510.db2.gz YMAHPMPEWTUFJP-UHFFFAOYSA-N 0 0 175.231 2.502 10 30 AFEERN CC[C@H](C)N[C@@]1(C#N)CC[C@@H](CC)C1 70644744 571718534 /nfs/dbraw/zinc/71/85/34/571718534.db2.gz XQFDXWKDEXANJH-TUAOUCFPSA-N 0 0 194.322 2.847 10 30 AFEERN Cc1oc2c(c1[C@@H](C)C#N)CCC2 214111526 571718672 /nfs/dbraw/zinc/71/86/72/571718672.db2.gz WVMUPCUULAEYCO-ZETCQYMHSA-N 0 0 175.231 2.704 10 30 AFEERN N#Cc1cccn1[C@@H]1CCCC[C@H]1C#N 159506170 571718754 /nfs/dbraw/zinc/71/87/54/571718754.db2.gz SCPJVMPRUKKIMD-CMPLNLGQSA-N 0 0 199.257 2.615 10 30 AFEERN COc1cccc(C)c1[C@@H](C)C#N 214108886 571718859 /nfs/dbraw/zinc/71/88/59/571718859.db2.gz RKDILMAWPUSTCD-VIFPVBQESA-N 0 0 175.231 2.631 10 30 AFEERN C=CC(=O)CCc1cccc(C)c1 137154428 571719167 /nfs/dbraw/zinc/71/91/67/571719167.db2.gz OAMJLLRRDGUDBS-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN Cc1ccc([C@@H](C)N[C@@H](C)CC#N)o1 38097779 571719455 /nfs/dbraw/zinc/71/94/55/571719455.db2.gz WEFYAKZQKNGFNU-WCBMZHEXSA-N 0 0 192.262 2.541 10 30 AFEERN N#C[C@H](C1CCCCC1)[C@@H]1CCOC1 214142950 571722252 /nfs/dbraw/zinc/72/22/52/571722252.db2.gz AMRDWNBJIGYJPP-VXGBXAGGSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@H](C1CCCC1)C1CCOCC1 214142581 571722254 /nfs/dbraw/zinc/72/22/54/571722254.db2.gz JVKTWUMHQJYIFP-GFCCVEGCSA-N 0 0 193.290 2.743 10 30 AFEERN O=CCC[C@@H]1C[C@@]12CCCSCC2 214123126 571719916 /nfs/dbraw/zinc/71/99/16/571719916.db2.gz KECSOGPHAYYRAL-MNOVXSKESA-N 0 0 198.331 2.889 10 30 AFEERN C=CC[C@@H](CCC)CC(C)=O 168456882 571720274 /nfs/dbraw/zinc/72/02/74/571720274.db2.gz OECLWCJZLYUYKE-JTQLQIEISA-N 0 0 154.253 2.958 10 30 AFEERN C=CC[C@H](CCC)CC(C)=O 168456785 571720250 /nfs/dbraw/zinc/72/02/50/571720250.db2.gz OECLWCJZLYUYKE-SNVBAGLBSA-N 0 0 154.253 2.958 10 30 AFEERN O=CCC[C@@H]1C[C@]12CCCSCC2 214123070 571720473 /nfs/dbraw/zinc/72/04/73/571720473.db2.gz KECSOGPHAYYRAL-GHMZBOCLSA-N 0 0 198.331 2.889 10 30 AFEERN O=CCC[C@H]1C[C@@]12CCCSCC2 214123010 571720578 /nfs/dbraw/zinc/72/05/78/571720578.db2.gz KECSOGPHAYYRAL-QWRGUYRKSA-N 0 0 198.331 2.889 10 30 AFEERN O=CCC[C@H]1C[C@]12CCCSCC2 214122952 571720878 /nfs/dbraw/zinc/72/08/78/571720878.db2.gz KECSOGPHAYYRAL-WDEREUQCSA-N 0 0 198.331 2.889 10 30 AFEERN N#Cc1cccn1[C@H]1CCCC[C@H]1C#N 159506303 571721122 /nfs/dbraw/zinc/72/11/22/571721122.db2.gz SCPJVMPRUKKIMD-JQWIXIFHSA-N 0 0 199.257 2.615 10 30 AFEERN N#C[C@@H](C1CCCCC1)[C@H]1CCOC1 214143112 571722282 /nfs/dbraw/zinc/72/22/82/571722282.db2.gz AMRDWNBJIGYJPP-RYUDHWBXSA-N 0 0 193.290 2.743 10 30 AFEERN CCCc1cccc(F)c1C#N 98193161 571721461 /nfs/dbraw/zinc/72/14/61/571721461.db2.gz PTRKKIYFRBNWFV-UHFFFAOYSA-N 0 0 163.195 2.650 10 30 AFEERN N#C[C@@H](C1CCCC1)[C@@H]1CCCOC1 214142771 571721725 /nfs/dbraw/zinc/72/17/25/571721725.db2.gz SZBJXHMAIFEUMK-NEPJUHHUSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@H](C1CCC1)[C@H]1CCCOCC1 214142435 571721766 /nfs/dbraw/zinc/72/17/66/571721766.db2.gz USMMQIURLAZYRH-NWDGAFQWSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@H](C1CCCCC1)[C@@H]1CCCO1 214142084 571721840 /nfs/dbraw/zinc/72/18/40/571721840.db2.gz UPAPFHJRQMYPAA-NEPJUHHUSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@H](C1CCC1)[C@@H]1CCCCCO1 214141758 571722209 /nfs/dbraw/zinc/72/22/09/571722209.db2.gz PUPKHUYMGFERSI-NEPJUHHUSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@@H](C1CCC1)[C@H]1CCCOCC1 214142492 571722220 /nfs/dbraw/zinc/72/22/20/571722220.db2.gz USMMQIURLAZYRH-RYUDHWBXSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@H](C1CCCCC1)[C@H]1CCOC1 214143058 571722341 /nfs/dbraw/zinc/72/23/41/571722341.db2.gz AMRDWNBJIGYJPP-NWDGAFQWSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@H](C1CCCC1)[C@H]1CCCOC1 214142823 571722466 /nfs/dbraw/zinc/72/24/66/571722466.db2.gz SZBJXHMAIFEUMK-NWDGAFQWSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@H](C1CCCC1)[C@H]1CCCCO1 214141942 571722569 /nfs/dbraw/zinc/72/25/69/571722569.db2.gz NAUDFTGICWWNIU-VXGBXAGGSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@H](C1CCCC1)[C@@H]1CCCCO1 214141834 571722592 /nfs/dbraw/zinc/72/25/92/571722592.db2.gz NAUDFTGICWWNIU-NEPJUHHUSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@@H](C1CCCC1)[C@@H]1CCCCO1 214141889 571722800 /nfs/dbraw/zinc/72/28/00/571722800.db2.gz NAUDFTGICWWNIU-RYUDHWBXSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@H](C1CCC1)[C@H]1CCCCCO1 214141703 571722754 /nfs/dbraw/zinc/72/27/54/571722754.db2.gz PUPKHUYMGFERSI-VXGBXAGGSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@H](C1CCCCC1)[C@H]1CCCO1 214142195 571722976 /nfs/dbraw/zinc/72/29/76/571722976.db2.gz UPAPFHJRQMYPAA-VXGBXAGGSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@@H](C1CCC1)[C@@H]1CCCCCO1 214141646 571722987 /nfs/dbraw/zinc/72/29/87/571722987.db2.gz PUPKHUYMGFERSI-RYUDHWBXSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@@H](C1CCCC1)[C@H]1CCCOC1 214142877 571723147 /nfs/dbraw/zinc/72/31/47/571723147.db2.gz SZBJXHMAIFEUMK-RYUDHWBXSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@H](C1CCC1)[C@H]1CCCCOC1 214141518 571723235 /nfs/dbraw/zinc/72/32/35/571723235.db2.gz WLWHPJRBQAICAO-NWDGAFQWSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@@H](C1CCC1)[C@H]1CCCCCO1 214141592 571723298 /nfs/dbraw/zinc/72/32/98/571723298.db2.gz PUPKHUYMGFERSI-NWDGAFQWSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@H](C1CCCC1)[C@@H]1CCCOC1 214142719 571723321 /nfs/dbraw/zinc/72/33/21/571723321.db2.gz SZBJXHMAIFEUMK-VXGBXAGGSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@@H](C1CCC1)[C@@H]1CCCCOC1 214141344 571723473 /nfs/dbraw/zinc/72/34/73/571723473.db2.gz WLWHPJRBQAICAO-NEPJUHHUSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@@H](C1CCCCC1)[C@@H]1CCCO1 214142136 571723499 /nfs/dbraw/zinc/72/34/99/571723499.db2.gz UPAPFHJRQMYPAA-RYUDHWBXSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@@H](C1CCC1)[C@@H]1CCCOCC1 214142374 571723514 /nfs/dbraw/zinc/72/35/14/571723514.db2.gz USMMQIURLAZYRH-NEPJUHHUSA-N 0 0 193.290 2.743 10 30 AFEERN N#C[C@@H](C1CCCCC1)[C@H]1CCCO1 214142252 571723640 /nfs/dbraw/zinc/72/36/40/571723640.db2.gz UPAPFHJRQMYPAA-NWDGAFQWSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@@H](C1CCCCC1)[C@@H]1CCOC1 214143006 571723900 /nfs/dbraw/zinc/72/39/00/571723900.db2.gz AMRDWNBJIGYJPP-NEPJUHHUSA-N 0 0 193.290 2.743 10 30 AFEERN CCCC(CCC)[C@@H]1CO1 23803888 571724604 /nfs/dbraw/zinc/72/46/04/571724604.db2.gz VIGVHXRONWKRQN-VIFPVBQESA-N 0 0 142.242 2.602 10 30 AFEERN C/C=C\C[C@H]1C(=O)C=CC[C@H]1C 214153933 571724752 /nfs/dbraw/zinc/72/47/52/571724752.db2.gz VXYUQIMZZGFZTM-HWKXXFMVSA-N 0 0 164.248 2.734 10 30 AFEERN C=CCCC[C@@H](CC)C(C)=O 70652306 571725259 /nfs/dbraw/zinc/72/52/59/571725259.db2.gz RXKVUFPGBHEQCF-SNVBAGLBSA-N 0 0 154.253 2.958 10 30 AFEERN C#CC[C@@H](O)c1cccc(Cl)c1C 220590072 571725399 /nfs/dbraw/zinc/72/53/99/571725399.db2.gz PLFAEHIEIFEPBL-LLVKDONJSA-N 0 0 194.661 2.705 10 30 AFEERN CCCC(CCC)[C@H]1CO1 23803889 571725585 /nfs/dbraw/zinc/72/55/85/571725585.db2.gz VIGVHXRONWKRQN-SECBINFHSA-N 0 0 142.242 2.602 10 30 AFEERN C=CCCC[C@H](CC)C(C)=O 70652305 571725637 /nfs/dbraw/zinc/72/56/37/571725637.db2.gz RXKVUFPGBHEQCF-JTQLQIEISA-N 0 0 154.253 2.958 10 30 AFEERN C/C=C\C[C@@H]1C(=O)C=CC[C@H]1C 214154037 571725710 /nfs/dbraw/zinc/72/57/10/571725710.db2.gz VXYUQIMZZGFZTM-QKMQQOOLSA-N 0 0 164.248 2.734 10 30 AFEERN C=CCCC[C@@H]1CCCC[C@H]1O 70652320 571726142 /nfs/dbraw/zinc/72/61/42/571726142.db2.gz YVFTZELTJGOARV-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCCC[C@@H]1CCCC[C@@H]1O 70652318 571725975 /nfs/dbraw/zinc/72/59/75/571725975.db2.gz YVFTZELTJGOARV-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN C=CCCC[C@H]1CCCC[C@@H]1O 70652319 571726361 /nfs/dbraw/zinc/72/63/61/571726361.db2.gz YVFTZELTJGOARV-QWRGUYRKSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCCC[C@H]1CCCC[C@H]1O 70652321 571726441 /nfs/dbraw/zinc/72/64/41/571726441.db2.gz YVFTZELTJGOARV-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN Cn1c(C2CC2)c(C#N)c2ccccc21 11805005 571726626 /nfs/dbraw/zinc/72/66/26/571726626.db2.gz DEBICSNBLDUHIB-UHFFFAOYSA-N 0 0 196.253 2.927 10 30 AFEERN CC[C@@H](C)CSCCS 233829080 571727119 /nfs/dbraw/zinc/72/71/19/571727119.db2.gz XCPPXVDOYDOFRH-SSDOTTSWSA-N 0 0 164.339 2.696 10 30 AFEERN Cc1c(CC#N)sc2c1CCC2 214169880 571726989 /nfs/dbraw/zinc/72/69/89/571726989.db2.gz DMDDRNHOYBOMCZ-UHFFFAOYSA-N 0 0 177.272 2.611 10 30 AFEERN N#CCc1cc2c(s1)CCCC2 214169966 571727072 /nfs/dbraw/zinc/72/70/72/571727072.db2.gz GVMVXJKRDXHAJV-UHFFFAOYSA-N 0 0 177.272 2.693 10 30 AFEERN CC(C)Cn1cc(C#N)c2cccnc21 214179510 571727675 /nfs/dbraw/zinc/72/76/75/571727675.db2.gz GKIBXJHEPRXVHE-UHFFFAOYSA-N 0 0 199.257 2.564 10 30 AFEERN Cc1nn(CCCCC#N)cc1Cl 70689317 571729765 /nfs/dbraw/zinc/72/97/65/571729765.db2.gz PAKHTGCOALNPNY-UHFFFAOYSA-N 0 0 197.669 2.539 10 30 AFEERN CCC/C=C\C(=O)C(=N)C(C)C 214177642 571728582 /nfs/dbraw/zinc/72/85/82/571728582.db2.gz NBJDIZYHVUWAGT-MZHPKLBPSA-N 0 0 167.252 2.588 10 30 AFEERN C/C=C/C=C\C(=O)c1ccco1 214176553 571728691 /nfs/dbraw/zinc/72/86/91/571728691.db2.gz MCKKUAUNCIDJSJ-ZPYFUIHZSA-N 0 0 162.188 2.595 10 30 AFEERN Cc1c(Cl)cnn1CCCCC#N 70689335 571730936 /nfs/dbraw/zinc/73/09/36/571730936.db2.gz GTJWJDAXECEFIL-UHFFFAOYSA-N 0 0 197.669 2.539 10 30 AFEERN C=C[C@@H](C)CCC(=O)C(=C)C 15120486 571732203 /nfs/dbraw/zinc/73/22/03/571732203.db2.gz VVGFGPNQFFVNKV-SECBINFHSA-N 0 0 152.237 2.734 10 30 endogenous,in-man AFEERN CC(C)(C)C#CC[C@@H](O)c1ccoc1 300720047 571733686 /nfs/dbraw/zinc/73/36/86/571733686.db2.gz BEIONOMNLKLLFB-LLVKDONJSA-N 0 0 192.258 2.753 10 30 AFEERN C=C[C@H](CC)OC(=O)C1(CC)CC1 388674178 571734396 /nfs/dbraw/zinc/73/43/96/571734396.db2.gz YPVYTONTEBCRAR-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN CC[C@@H](C#N)C(=O)c1ccoc1Cl 233836386 571734498 /nfs/dbraw/zinc/73/44/98/571734498.db2.gz AVROOGRSZXQKFL-LURJTMIESA-N 0 0 197.621 2.665 10 30 AFEERN C=CC[C@H](C#N)c1ccc(OC)cc1 140491476 571734891 /nfs/dbraw/zinc/73/48/91/571734891.db2.gz BAZHMASCXZLODF-LLVKDONJSA-N 0 0 187.242 2.878 10 30 AFEERN CC[C@@H](C#N)C(=O)c1ccc(Cl)o1 233835992 571735131 /nfs/dbraw/zinc/73/51/31/571735131.db2.gz CUCSVJDEWMWSRS-LURJTMIESA-N 0 0 197.621 2.665 10 30 AFEERN CC1(C)C=CC(=O)C(/C=C\Cl)=C1 13386410 571737303 /nfs/dbraw/zinc/73/73/03/571737303.db2.gz DXDNTRLUBMWKNM-XQRVVYSFSA-N 0 0 182.650 2.830 10 30 AFEERN CCc1ccc(Cl)cc1CC#N 214230113 571737455 /nfs/dbraw/zinc/73/74/55/571737455.db2.gz QFMVVBZRUUTKBG-UHFFFAOYSA-N 0 0 179.650 2.968 10 30 AFEERN C#CC(C)(C)c1cc(Cl)ccc1O 196065034 571738184 /nfs/dbraw/zinc/73/81/84/571738184.db2.gz MCISMVIDAKUJKU-UHFFFAOYSA-N 0 0 194.661 2.956 10 30 AFEERN C#CC(C)(C)c1cc(C)ccc1O 196065052 571738720 /nfs/dbraw/zinc/73/87/20/571738720.db2.gz ZKBPYEAQBQBJFZ-UHFFFAOYSA-N 0 0 174.243 2.611 10 30 AFEERN CC[C@@H](C#N)OC1CCCCC1 687798911 571739316 /nfs/dbraw/zinc/73/93/16/571739316.db2.gz PRBYVQRTZNGIFR-VIFPVBQESA-N 0 0 167.252 2.638 10 30 AFEERN CC[C@H](C#N)OC1CCCCC1 687798910 571739394 /nfs/dbraw/zinc/73/93/94/571739394.db2.gz PRBYVQRTZNGIFR-SECBINFHSA-N 0 0 167.252 2.638 10 30 AFEERN C[C@@H]1CC(=O)C=C(C(C)(C)C)C1 196067379 571739418 /nfs/dbraw/zinc/73/94/18/571739418.db2.gz VRNDXKFWGYSJON-QMMMGPOBSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H]1CC(=O)C=C(C(C)(C)C)C1 196067369 571740298 /nfs/dbraw/zinc/74/02/98/571740298.db2.gz VRNDXKFWGYSJON-MRVPVSSYSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)C(=C(C)C)[Si](C)(C)C 196065940 571740470 /nfs/dbraw/zinc/74/04/70/571740470.db2.gz ZPRQMKFPFOPRQP-UHFFFAOYSA-N 0 0 170.328 2.789 10 30 AFEERN CC#CC(C)(C)c1ccccc1O 196065067 571740515 /nfs/dbraw/zinc/74/05/15/571740515.db2.gz CCIXDAMSJJCHEP-UHFFFAOYSA-N 0 0 174.243 2.693 10 30 AFEERN C=CCc1c(C)c(O)c(C)c(C)c1O 196060344 571740787 /nfs/dbraw/zinc/74/07/87/571740787.db2.gz JWCCXWBPHSLSOI-UHFFFAOYSA-N 0 0 192.258 2.752 10 30 AFEERN Cc1c(-c2ccccc2)ccnc1C#N 13283782 571741403 /nfs/dbraw/zinc/74/14/03/571741403.db2.gz XXYONOLHGIOJPA-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CCCC[C@H](O)C#CC(C)(C)C 220637049 571741768 /nfs/dbraw/zinc/74/17/68/571741768.db2.gz RXQGHDCJLSWQDK-JTQLQIEISA-N 0 0 168.280 2.587 10 30 AFEERN N#Cc1coc(-c2ccccc2)c1 168807308 571742415 /nfs/dbraw/zinc/74/24/15/571742415.db2.gz SWECLPOPMHCGRT-UHFFFAOYSA-N 0 0 169.183 2.818 10 30 AFEERN CC(C)(C)C#CC1=CC(=O)CCC1 196076920 571742529 /nfs/dbraw/zinc/74/25/29/571742529.db2.gz IFJLLVWXBNDZHK-UHFFFAOYSA-N 0 0 176.259 2.715 10 30 AFEERN CCC[C@@H](C)CN(CC#N)C(C)C 70715197 571745002 /nfs/dbraw/zinc/74/50/02/571745002.db2.gz LROIVWRWGQINEK-LLVKDONJSA-N 0 0 182.311 2.657 10 30 AFEERN CCCC[C@H](C=O)OC(C)(C)C 214330770 571747571 /nfs/dbraw/zinc/74/75/71/571747571.db2.gz WLVDENCBZFXGME-SECBINFHSA-N 0 0 172.268 2.559 10 30 AFEERN CCCC[C@@H](O)C#CC(C)(C)C 220637119 571743596 /nfs/dbraw/zinc/74/35/96/571743596.db2.gz RXQGHDCJLSWQDK-SNVBAGLBSA-N 0 0 168.280 2.587 10 30 AFEERN C=CCOc1ccc(C=O)c(Cl)c1 168814156 571743702 /nfs/dbraw/zinc/74/37/02/571743702.db2.gz SFXRYQVRNPEUIW-UHFFFAOYSA-N 0 0 196.633 2.717 10 30 AFEERN C=C(C(F)(F)F)[Si](C)(C)C 196069486 571743853 /nfs/dbraw/zinc/74/38/53/571743853.db2.gz ZDNBETOXRXGYFH-UHFFFAOYSA-N 0 0 168.234 2.982 10 30 AFEERN C=C(CCC=O)CCCC 196073532 571744093 /nfs/dbraw/zinc/74/40/93/571744093.db2.gz LOANGWDYQHCPKB-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN C=C(Cl)CN(CC#N)C1CCCC1 70714999 571744413 /nfs/dbraw/zinc/74/44/13/571744413.db2.gz DLUHHIDBIYWNDS-UHFFFAOYSA-N 0 0 198.697 2.507 10 30 AFEERN C=CCc1ccc2c(c1)CCC2 300795297 571744452 /nfs/dbraw/zinc/74/44/52/571744452.db2.gz VJOXUYJGVUNMIU-UHFFFAOYSA-N 0 0 158.244 2.904 10 30 AFEERN Cc1ccc2nccc(CC#N)c2c1 214303134 571744491 /nfs/dbraw/zinc/74/44/91/571744491.db2.gz PZSQPLBMIFLBFK-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN C[C@H](C#N)c1ccc(Cl)c(O)c1 214290373 571744512 /nfs/dbraw/zinc/74/45/12/571744512.db2.gz AEPVABRCCUNQAS-ZCFIWIBFSA-N 0 0 181.622 2.673 10 30 AFEERN CC(C)N(CC#N)CCC(C)(C)C 70715152 571744621 /nfs/dbraw/zinc/74/46/21/571744621.db2.gz WXMCLXYPSVIBCP-UHFFFAOYSA-N 0 0 182.311 2.657 10 30 AFEERN C=C(CC)[C@H](O)c1ccccc1 138807222 571749353 /nfs/dbraw/zinc/74/93/53/571749353.db2.gz GBUDTRTTZMPCGH-NSHDSACASA-N 0 0 162.232 2.686 10 30 AFEERN C=CCCCc1cnn(CCC)c1 404465401 571744835 /nfs/dbraw/zinc/74/48/35/571744835.db2.gz LZMJZEKPZQIYNW-UHFFFAOYSA-N 0 0 178.279 2.802 10 30 AFEERN C[C@@H](C#N)c1ccc(Cl)c(O)c1 214290316 571744904 /nfs/dbraw/zinc/74/49/04/571744904.db2.gz AEPVABRCCUNQAS-LURJTMIESA-N 0 0 181.622 2.673 10 30 AFEERN CCCCCC[C@@H](C#N)NC1CCC1 712357391 571745243 /nfs/dbraw/zinc/74/52/43/571745243.db2.gz YYUVXGFELRRAPT-LBPRGKRZSA-N 0 0 194.322 2.991 10 30 AFEERN C=C(CCC=O)C(C)(C)CC 214301388 571745333 /nfs/dbraw/zinc/74/53/33/571745333.db2.gz OSLAKYPKSPKBTL-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=C1CC[C@H]2C[C@@]12C#CBr 204992769 571747174 /nfs/dbraw/zinc/74/71/74/571747174.db2.gz IGCFPJPGRASXGC-IUCAKERBSA-N 0 0 197.075 2.699 10 30 AFEERN CCC[C@H](C)CN(CC#N)C(C)C 70715198 571746043 /nfs/dbraw/zinc/74/60/43/571746043.db2.gz LROIVWRWGQINEK-NSHDSACASA-N 0 0 182.311 2.657 10 30 AFEERN Cc1ccc2c(CC#N)ccnc2c1 214303054 571746320 /nfs/dbraw/zinc/74/63/20/571746320.db2.gz RJSDPBPFNMGUBS-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN Cc1cccc2c(CC#N)ccnc12 214302976 571746415 /nfs/dbraw/zinc/74/64/15/571746415.db2.gz SCADQCDYNNHKHT-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN O=CCCCCc1ccsc1 70738938 571747364 /nfs/dbraw/zinc/74/73/64/571747364.db2.gz KQVRQQMIUKEAMY-UHFFFAOYSA-N 0 0 168.261 2.660 10 30 AFEERN CC[C@@H](CC#N)SCCSC 320576841 571747274 /nfs/dbraw/zinc/74/72/74/571747274.db2.gz MXNRBJFKJJMMNR-QMMMGPOBSA-N 0 0 189.349 2.775 10 30 AFEERN C#CCCCCC(=O)C(C)(C)C 70740031 571747290 /nfs/dbraw/zinc/74/72/90/571747290.db2.gz OGGZRFQKPMUZSW-UHFFFAOYSA-N 0 0 166.264 2.795 10 30 AFEERN C=CC/C=C(\C)[C@@H](C)C(C)=O 140998051 571747307 /nfs/dbraw/zinc/74/73/07/571747307.db2.gz SSOMZIHIDWZXPJ-FCZSHJHJSA-N 0 0 152.237 2.734 10 30 AFEERN C=CCCCCC[C@H](NC)C(F)F 234419605 571747315 /nfs/dbraw/zinc/74/73/15/571747315.db2.gz KWIXYOBTRRUFAY-VIFPVBQESA-N 0 0 191.265 2.976 10 30 AFEERN C=CCCCc1ccoc1 140799909 571747320 /nfs/dbraw/zinc/74/73/20/571747320.db2.gz HCPMYURGAWYLOK-UHFFFAOYSA-N 0 0 136.194 2.788 10 30 AFEERN O=CCCCc1cccc(Cl)c1 70739029 571747351 /nfs/dbraw/zinc/74/73/51/571747351.db2.gz QWUKUMALEZRTFF-UHFFFAOYSA-N 0 0 182.650 2.862 10 30 AFEERN CCCC[C@@H](C=O)OC(C)(C)C 214330709 571747424 /nfs/dbraw/zinc/74/74/24/571747424.db2.gz WLVDENCBZFXGME-VIFPVBQESA-N 0 0 172.268 2.559 10 30 AFEERN CCc1ccc(CCCC=O)s1 70738871 571748070 /nfs/dbraw/zinc/74/80/70/571748070.db2.gz ROSAWAHBXUKHPS-UHFFFAOYSA-N 0 0 182.288 2.832 10 30 AFEERN CCCc1ccc(CCC=O)cc1 70738965 571748157 /nfs/dbraw/zinc/74/81/57/571748157.db2.gz SXJMLSZMUOKNJF-UHFFFAOYSA-N 0 0 176.259 2.771 10 30 AFEERN Cc1cc(C)cc(CCCC=O)c1 70739008 571748288 /nfs/dbraw/zinc/74/82/88/571748288.db2.gz KKVFNKULMUVKKN-UHFFFAOYSA-N 0 0 176.259 2.825 10 30 AFEERN CCSCC=NOC(C)(C)C 393417494 571748343 /nfs/dbraw/zinc/74/83/43/571748343.db2.gz GAQQRQDBRFDXDO-UHFFFAOYSA-N 0 0 175.297 2.540 10 30 AFEERN C=C=C(Cc1ccccc1)C(C)=O 138816227 571748520 /nfs/dbraw/zinc/74/85/20/571748520.db2.gz OMEAZLYAWSKTIB-UHFFFAOYSA-N 0 0 172.227 2.529 10 30 AFEERN CC(C)n1cc(CC#N)cc1Cl 214318057 571748629 /nfs/dbraw/zinc/74/86/29/571748629.db2.gz REYRJUUHYCFYOR-UHFFFAOYSA-N 0 0 182.654 2.788 10 30 AFEERN CC(C)CCC#CCCc1c[nH]cn1 13795224 571748686 /nfs/dbraw/zinc/74/86/86/571748686.db2.gz FGSZNBGTIGFMGN-UHFFFAOYSA-N 0 0 190.290 2.782 10 30 in-vivo AFEERN C=C[C@@H](CCCC)[C@H](O)C(C)C 214317861 571748782 /nfs/dbraw/zinc/74/87/82/571748782.db2.gz FODMOJWISVWPFM-WDEREUQCSA-N 0 0 170.296 2.996 10 30 AFEERN O=CCCCc1ccccc1Cl 70738924 571748798 /nfs/dbraw/zinc/74/87/98/571748798.db2.gz WLSOYOWZPJIYJG-UHFFFAOYSA-N 0 0 182.650 2.862 10 30 AFEERN CCCCCC#CCCc1c[nH]cn1 13795238 571748972 /nfs/dbraw/zinc/74/89/72/571748972.db2.gz XPYAWUGABXEBAR-UHFFFAOYSA-N 0 0 190.290 2.926 10 30 AFEERN CC#CCCCC(=O)C(C)(C)C 70740004 571748974 /nfs/dbraw/zinc/74/89/74/571748974.db2.gz MEPQJSHQCCEMTI-UHFFFAOYSA-N 0 0 166.264 2.795 10 30 AFEERN Cc1cccc(CCCC=O)c1 70738870 571748990 /nfs/dbraw/zinc/74/89/90/571748990.db2.gz YPHNWUOYJULPDW-UHFFFAOYSA-N 0 0 162.232 2.517 10 30 AFEERN CC#CCCCC(=O)CCC 70739346 571749010 /nfs/dbraw/zinc/74/90/10/571749010.db2.gz VGLARNRBCCSYJG-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN C#CCCCCC(=O)CCC 70739376 571749172 /nfs/dbraw/zinc/74/91/72/571749172.db2.gz LMNFSAMYZMJISD-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN C=C1CCCC[C@H](O)[C@@H]1CC 205053803 571750910 /nfs/dbraw/zinc/75/09/10/571750910.db2.gz GNIVLOQTIHTAJD-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN C[C@H](/C=C/c1ccccc1)CC=O 38246859 571749469 /nfs/dbraw/zinc/74/94/69/571749469.db2.gz LTWPHCAKOQQEBY-WSKFYRRCSA-N 0 0 174.243 2.925 10 30 AFEERN C=C[C@H](CCCC)[C@@H](O)C(C)C 214317911 571749528 /nfs/dbraw/zinc/74/95/28/571749528.db2.gz FODMOJWISVWPFM-MNOVXSKESA-N 0 0 170.296 2.996 10 30 AFEERN C=C[C@H](CCCC)[C@H](O)C(C)C 214317805 571749548 /nfs/dbraw/zinc/74/95/48/571749548.db2.gz FODMOJWISVWPFM-GHMZBOCLSA-N 0 0 170.296 2.996 10 30 AFEERN CC(C)(F)[C@@H](C=O)CC(F)(F)F 214438458 571754521 /nfs/dbraw/zinc/75/45/21/571754521.db2.gz WMIXMASWQKMMBD-RXMQYKEDSA-N 0 0 186.148 2.502 10 30 AFEERN C=C[C@@H](CCCC)[C@@H](O)C(C)C 214317966 571749777 /nfs/dbraw/zinc/74/97/77/571749777.db2.gz FODMOJWISVWPFM-QWRGUYRKSA-N 0 0 170.296 2.996 10 30 AFEERN C#CCC[C@H](O)CCCCCC 38220456 571750058 /nfs/dbraw/zinc/75/00/58/571750058.db2.gz VKIWJXDTHXYAQN-NSHDSACASA-N 0 0 168.280 2.731 10 30 AFEERN C#CCC[C@@H](O)CCCCCC 38220455 571750099 /nfs/dbraw/zinc/75/00/99/571750099.db2.gz VKIWJXDTHXYAQN-LLVKDONJSA-N 0 0 168.280 2.731 10 30 AFEERN Cc1cc(C)c2cc(CC#N)[nH]c2c1 214384060 571750425 /nfs/dbraw/zinc/75/04/25/571750425.db2.gz BQDJAUUTHRMJKG-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN CCSCC=NOC[C@@H](C)CC 393521384 571750449 /nfs/dbraw/zinc/75/04/49/571750449.db2.gz OXTJUEBJWLASSX-VIFPVBQESA-N 0 0 189.324 2.788 10 30 AFEERN Cc1[nH]c2c(CC#N)cccc2c1C 214384401 571750885 /nfs/dbraw/zinc/75/08/85/571750885.db2.gz YGPZONWEIYMZIN-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN CCSCC=NOC[C@H](C)CC 393521383 571751301 /nfs/dbraw/zinc/75/13/01/571751301.db2.gz OXTJUEBJWLASSX-SECBINFHSA-N 0 0 189.324 2.788 10 30 AFEERN Cc1[nH]c2cc(CC#N)ccc2c1C 214384570 571751332 /nfs/dbraw/zinc/75/13/32/571751332.db2.gz JXQZLJBBCMHMAC-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN Cc1cccc2c1cc(CC#N)n2C 214383652 571751401 /nfs/dbraw/zinc/75/14/01/571751401.db2.gz YOLZVSVPJPMFAU-UHFFFAOYSA-N 0 0 184.242 2.553 10 30 AFEERN CC[C@H]1CC[C@@](C#N)(N(CC)CC)C1 70766209 571752257 /nfs/dbraw/zinc/75/22/57/571752257.db2.gz CGGMYHRZYNFLDH-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN Cc1cc(CC#N)cc2ccn(C)c12 214384956 571751613 /nfs/dbraw/zinc/75/16/13/571751613.db2.gz OVKLTYPRCWFKDV-UHFFFAOYSA-N 0 0 184.242 2.553 10 30 AFEERN C=CCC(C)(C)COC(C)(C)C=O 387503823 571751804 /nfs/dbraw/zinc/75/18/04/571751804.db2.gz GRCRFOJRYKHLDX-UHFFFAOYSA-N 0 0 184.279 2.583 10 30 AFEERN C=C1CCCC[C@@H](O)[C@@H]1CC 205053781 571751837 /nfs/dbraw/zinc/75/18/37/571751837.db2.gz GNIVLOQTIHTAJD-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN Cc1c(CC#N)[nH]c2c(C)cccc12 214383971 571751831 /nfs/dbraw/zinc/75/18/31/571751831.db2.gz MSPVJTGXXIVCFN-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN Cc1[nH]c2ccc(CC#N)cc2c1C 214384484 571751856 /nfs/dbraw/zinc/75/18/56/571751856.db2.gz PDFNNACLYJPEBZ-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN Cc1cccc2cc(CC#N)n(C)c12 214383569 571751876 /nfs/dbraw/zinc/75/18/76/571751876.db2.gz SRFQOAKWJZNARI-UHFFFAOYSA-N 0 0 184.242 2.553 10 30 AFEERN Cc1cc(CCC#N)cc2cc[nH]c12 214384883 571752009 /nfs/dbraw/zinc/75/20/09/571752009.db2.gz CUUYWJUHRCRLGX-UHFFFAOYSA-N 0 0 184.242 2.933 10 30 AFEERN C=C1CCCC[C@@H](O)[C@H]1CC 205053767 571752106 /nfs/dbraw/zinc/75/21/06/571752106.db2.gz GNIVLOQTIHTAJD-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN Cc1ccc2cc(CC#N)n(C)c2c1 214383733 571752162 /nfs/dbraw/zinc/75/21/62/571752162.db2.gz WYOFZUXPKCJMQQ-UHFFFAOYSA-N 0 0 184.242 2.553 10 30 AFEERN C=CCCC[C@H]1CCC[C@H](O)C1 70773213 571752311 /nfs/dbraw/zinc/75/23/11/571752311.db2.gz ALJWWIHTAQLYCG-QWRGUYRKSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCCC[C@@H]1CCC[C@@H](O)C1 70773216 571752323 /nfs/dbraw/zinc/75/23/23/571752323.db2.gz ALJWWIHTAQLYCG-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)c1nc(CC#N)c(Cl)o1 214393601 571752745 /nfs/dbraw/zinc/75/27/45/571752745.db2.gz QYDSXTDKYMYFBO-UHFFFAOYSA-N 0 0 184.626 2.517 10 30 AFEERN C=C=CC(C)(C)[C@H](O)C#CC(C)(C)C 138841699 571752787 /nfs/dbraw/zinc/75/27/87/571752787.db2.gz BERRXQZXQWIFFE-LLVKDONJSA-N 0 0 192.302 2.764 10 30 AFEERN C=CCCC[C@H]1CCC[C@@H](O)C1 70773218 571752919 /nfs/dbraw/zinc/75/29/19/571752919.db2.gz ALJWWIHTAQLYCG-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)c1noc(Cl)c1CC#N 214393676 571753163 /nfs/dbraw/zinc/75/31/63/571753163.db2.gz HEQDYXQPTLWJKC-UHFFFAOYSA-N 0 0 184.626 2.517 10 30 AFEERN C=CCCC[C@@H]1CCC[C@H](O)C1 70773210 571753164 /nfs/dbraw/zinc/75/31/64/571753164.db2.gz ALJWWIHTAQLYCG-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN CC[C@H]1CC[C@](C#N)(N(CC)CC)C1 70766216 571753220 /nfs/dbraw/zinc/75/32/20/571753220.db2.gz CGGMYHRZYNFLDH-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN Cc1ccc2c(c1)cc(CC#N)n2C 214383811 571753292 /nfs/dbraw/zinc/75/32/92/571753292.db2.gz GLJRSQZTOSKPAQ-UHFFFAOYSA-N 0 0 184.242 2.553 10 30 AFEERN C=C=CC(C)(C)[C@@H](O)C#CC(C)(C)C 138841590 571753322 /nfs/dbraw/zinc/75/33/22/571753322.db2.gz BERRXQZXQWIFFE-NSHDSACASA-N 0 0 192.302 2.764 10 30 AFEERN CC[C@@H]1CC[C@](C#N)(N(CC)CC)C1 70766212 571753498 /nfs/dbraw/zinc/75/34/98/571753498.db2.gz CGGMYHRZYNFLDH-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)(N(CC)CC)C1 70766206 571753938 /nfs/dbraw/zinc/75/39/38/571753938.db2.gz CGGMYHRZYNFLDH-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN C=C(CO)[C@@H](C)C/C=C/C(C)(C)OC 38293122 571754097 /nfs/dbraw/zinc/75/40/97/571754097.db2.gz HNOOGPRVZJKMCI-PCGIRMHASA-N 0 0 198.306 2.542 10 30 AFEERN CCOc1ccc([C@H](C)C#N)cc1 37245573 571755051 /nfs/dbraw/zinc/75/50/51/571755051.db2.gz PKWJQJIGITWZKH-SECBINFHSA-N 0 0 175.231 2.712 10 30 AFEERN C=C1C[C@H]2CC(C)(C)CC(=O)[C@@H]2C1 205097547 571755057 /nfs/dbraw/zinc/75/50/57/571755057.db2.gz RJSWRVCCSWCQFE-VHSXEESVSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H](C#N)CCc1ccccc1 37245463 571756725 /nfs/dbraw/zinc/75/67/25/571756725.db2.gz NMTJMXBJZJSGFM-JTQLQIEISA-N 0 0 159.232 2.779 10 30 AFEERN CCC1=C(C)C(=O)CC[C@@H]1C 205063051 571754324 /nfs/dbraw/zinc/75/43/24/571754324.db2.gz BFYJOJBISBHYHM-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN C=C1C[C@@H]2CC(C)(C)CC(=O)[C@@H]2C1 205097562 571754385 /nfs/dbraw/zinc/75/43/85/571754385.db2.gz RJSWRVCCSWCQFE-NXEZZACHSA-N 0 0 178.275 2.958 10 30 AFEERN CCC#CC[C@H](C)CC 138873527 571758217 /nfs/dbraw/zinc/75/82/17/571758217.db2.gz LDZYCPWLKDNBLI-SECBINFHSA-N 0 0 124.227 2.836 10 30 AFEERN C[C@H](C#N)c1cccc(OC(F)F)c1 37245622 571754782 /nfs/dbraw/zinc/75/47/82/571754782.db2.gz VZTWZQLSZSDOJB-SSDOTTSWSA-N 0 0 197.184 2.915 10 30 AFEERN CC[C@H](C#N)C[C@H](C)CC 37245523 571754890 /nfs/dbraw/zinc/75/48/90/571754890.db2.gz GCBYJWOKTYOUDO-BDAKNGLRSA-N 0 0 139.242 2.972 10 30 AFEERN [N-]=[N+]=Nc1nc2c(s1)CCCC2 138868443 571755181 /nfs/dbraw/zinc/75/51/81/571755181.db2.gz PCPMROKWUBBJEC-UHFFFAOYSA-N 0 0 180.236 2.964 10 30 AFEERN C[C@H](C#N)c1cc(F)ccc1F 37245497 571755198 /nfs/dbraw/zinc/75/51/98/571755198.db2.gz NSZZGPGEEHBNGJ-ZCFIWIBFSA-N 0 0 167.158 2.592 10 30 AFEERN C#CCCCC[C@H](O)c1ccccc1 70780354 571755251 /nfs/dbraw/zinc/75/52/51/571755251.db2.gz MQPLVBRORMYTLZ-ZDUSSCGKSA-N 0 0 188.270 2.914 10 30 AFEERN CC#CCCC[C@@H](O)C(C)(C)C 70779482 571755288 /nfs/dbraw/zinc/75/52/88/571755288.db2.gz FWLWHZCDRAILBF-SNVBAGLBSA-N 0 0 168.280 2.587 10 30 AFEERN CCC1=C(C)C(=O)CC[C@H]1C 205063069 571755303 /nfs/dbraw/zinc/75/53/03/571755303.db2.gz BFYJOJBISBHYHM-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@H](C)C[C@@H](C#N)CC 37245525 571755339 /nfs/dbraw/zinc/75/53/39/571755339.db2.gz GCBYJWOKTYOUDO-IUCAKERBSA-N 0 0 139.242 2.972 10 30 AFEERN Cc1cc([C@H](C)C#N)c(C)o1 37245411 571755367 /nfs/dbraw/zinc/75/53/67/571755367.db2.gz VYXWSBJHJITBCM-ZCFIWIBFSA-N 0 0 149.193 2.524 10 30 AFEERN CC[C@](C)(C#N)c1cccc(O)c1 138849255 571755432 /nfs/dbraw/zinc/75/54/32/571755432.db2.gz FBVUPHWSYPHYNW-LLVKDONJSA-N 0 0 175.231 2.583 10 30 AFEERN CCOc1ccccc1[C@H](C)C#N 37245561 571755468 /nfs/dbraw/zinc/75/54/68/571755468.db2.gz BTQUJUINBDGLMD-SECBINFHSA-N 0 0 175.231 2.712 10 30 AFEERN C=CCCCCC[C@H](O)C1CC1 70778685 571755574 /nfs/dbraw/zinc/75/55/74/571755574.db2.gz RJQIVFLSPGPOHI-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C=C(C)[C@H]1CC=CC[C@H]1C(C)=O 205084171 571755597 /nfs/dbraw/zinc/75/55/97/571755597.db2.gz RMLHXVGFJWWNHT-MNOVXSKESA-N 0 0 164.248 2.734 10 30 AFEERN CCC(C#N)(CC)c1cccc(O)c1 138847857 571755605 /nfs/dbraw/zinc/75/56/05/571755605.db2.gz SOXXKBYXCKSWPM-UHFFFAOYSA-N 0 0 189.258 2.974 10 30 AFEERN CCOc1ccccc1[C@@H](C)C#N 37245559 571755641 /nfs/dbraw/zinc/75/56/41/571755641.db2.gz BTQUJUINBDGLMD-VIFPVBQESA-N 0 0 175.231 2.712 10 30 AFEERN C=C1C[C@@H]2CC(C)(C)CC(=O)[C@H]2C1 205097533 571755660 /nfs/dbraw/zinc/75/56/60/571755660.db2.gz RJSWRVCCSWCQFE-ZJUUUORDSA-N 0 0 178.275 2.958 10 30 AFEERN CC#CCCC[C@H](O)C(C)(C)C 70779477 571755814 /nfs/dbraw/zinc/75/58/14/571755814.db2.gz FWLWHZCDRAILBF-JTQLQIEISA-N 0 0 168.280 2.587 10 30 AFEERN CC#CCCC[C@H](O)c1ccccc1 70780206 571755908 /nfs/dbraw/zinc/75/59/08/571755908.db2.gz MOHPODFLTJVLEP-ZDUSSCGKSA-N 0 0 188.270 2.914 10 30 AFEERN Cc1cc([C@@H](C)C#N)c(C)o1 37245409 571755962 /nfs/dbraw/zinc/75/59/62/571755962.db2.gz VYXWSBJHJITBCM-LURJTMIESA-N 0 0 149.193 2.524 10 30 AFEERN C=CCCCCC[C@@H](O)C1CC1 70778691 571755978 /nfs/dbraw/zinc/75/59/78/571755978.db2.gz RJQIVFLSPGPOHI-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN CC#CCCC[C@@H](O)c1ccccc1 70780212 571756122 /nfs/dbraw/zinc/75/61/22/571756122.db2.gz MOHPODFLTJVLEP-CYBMUJFWSA-N 0 0 188.270 2.914 10 30 AFEERN C/C=C/C(=O)[C@H](CC)CCC 15204818 571756445 /nfs/dbraw/zinc/75/64/45/571756445.db2.gz UWOQZYAIZQGANV-WHXYTISESA-N 0 0 154.253 2.958 10 30 AFEERN CC(C)CC[C@]1(C=O)CCCS1 317159464 571761791 /nfs/dbraw/zinc/76/17/91/571761791.db2.gz MQWZZQARRZHMIL-JTQLQIEISA-N 0 0 186.320 2.887 10 30 AFEERN CC[C@@H](C)C[C@H](C#N)CC 37245519 571756607 /nfs/dbraw/zinc/75/66/07/571756607.db2.gz GCBYJWOKTYOUDO-RKDXNWHRSA-N 0 0 139.242 2.972 10 30 AFEERN CC(C)(CC=O)CC(F)(F)F 17402428 571761795 /nfs/dbraw/zinc/76/17/95/571761795.db2.gz JUBLFMCTPCXCFZ-UHFFFAOYSA-N 0 0 168.158 2.554 10 30 AFEERN C=C[C@@H](C)CCC(=O)C(C)C 15120821 571756625 /nfs/dbraw/zinc/75/66/25/571756625.db2.gz YKQHXMHPGBDHLV-SECBINFHSA-N 0 0 154.253 2.814 10 30 endogenous,in-man AFEERN C#CCCCC[C@H](O)C(C)(C)C 70780117 571756700 /nfs/dbraw/zinc/75/67/00/571756700.db2.gz GHOTXGDLTZRKAI-JTQLQIEISA-N 0 0 168.280 2.587 10 30 AFEERN C#C[C@@H](CC)Nc1ccc(C#N)cc1C 393428996 571756724 /nfs/dbraw/zinc/75/67/24/571756724.db2.gz PGLDBVUGGDHKED-LBPRGKRZSA-N 0 0 198.269 2.690 10 30 AFEERN C#CCCCC[C@@H](O)c1ccccc1 70780357 571756849 /nfs/dbraw/zinc/75/68/49/571756849.db2.gz MQPLVBRORMYTLZ-CYBMUJFWSA-N 0 0 188.270 2.914 10 30 AFEERN C/C=C/C(=O)[C@@H](CC)CCC 15204819 571757387 /nfs/dbraw/zinc/75/73/87/571757387.db2.gz UWOQZYAIZQGANV-QRJSTWQJSA-N 0 0 154.253 2.958 10 30 AFEERN C#CCCCC[C@@H](O)C(C)(C)C 70780114 571757513 /nfs/dbraw/zinc/75/75/13/571757513.db2.gz GHOTXGDLTZRKAI-SNVBAGLBSA-N 0 0 168.280 2.587 10 30 AFEERN C[C@H](C#N)c1ccccc1OC(F)F 37245423 571757563 /nfs/dbraw/zinc/75/75/63/571757563.db2.gz XRDOASLDBJNZIB-SSDOTTSWSA-N 0 0 197.184 2.915 10 30 AFEERN C=CCc1cccc(CC=C)c1N 113240474 571757703 /nfs/dbraw/zinc/75/77/03/571757703.db2.gz ZPPOVMIINUDIGK-UHFFFAOYSA-N 0 0 173.259 2.726 10 30 AFEERN C=C[C@H](C)CCC(=O)C(C)C 15120820 571757710 /nfs/dbraw/zinc/75/77/10/571757710.db2.gz YKQHXMHPGBDHLV-VIFPVBQESA-N 0 0 154.253 2.814 10 30 endogenous,in-man AFEERN C=C[C@H](C)CCC(=O)C(=C)C 15120487 571757823 /nfs/dbraw/zinc/75/78/23/571757823.db2.gz VVGFGPNQFFVNKV-VIFPVBQESA-N 0 0 152.237 2.734 10 30 endogenous,in-man AFEERN COc1ccc(CC#N)c2ccoc12 214474939 571757843 /nfs/dbraw/zinc/75/78/43/571757843.db2.gz HRIPRNKHZJTRTL-UHFFFAOYSA-N 0 0 187.198 2.507 10 30 AFEERN C=C[C@H](O)C/C=C/C/C=C/CC 14825628 571758204 /nfs/dbraw/zinc/75/82/04/571758204.db2.gz PRGYPCCRPKULHH-XEKHLOESSA-N 0 0 166.264 2.836 10 30 AFEERN C=C(C)[C@H]1C[C@H](COC(C)=O)C1(C)C 14659686 571758279 /nfs/dbraw/zinc/75/82/79/571758279.db2.gz XUCVWTVHEYSKFF-GHMZBOCLSA-N 0 0 196.290 2.788 10 30 AFEERN C#C[C@H](CC)Nc1ccc(C#N)cc1C 393428992 571758366 /nfs/dbraw/zinc/75/83/66/571758366.db2.gz PGLDBVUGGDHKED-GFCCVEGCSA-N 0 0 198.269 2.690 10 30 AFEERN Cc1csc(N=NCC2(C)CC2)n1 379366544 571758618 /nfs/dbraw/zinc/75/86/18/571758618.db2.gz RSPCTKRDSUYFPL-UHFFFAOYSA-N 0 0 195.291 2.649 10 30 AFEERN C=C(COCCC)[C@](C)(O)CCC 387507355 571758961 /nfs/dbraw/zinc/75/89/61/571758961.db2.gz HIJSICRZMWVWJG-LLVKDONJSA-N 0 0 186.295 2.520 10 30 AFEERN C[C@@H]1C(=O)C=CC1=CC(C)(C)C 205148569 571758990 /nfs/dbraw/zinc/75/89/90/571758990.db2.gz FBFHAIDRSNWMMQ-FZGDARCMSA-N 0 0 164.248 2.734 10 30 AFEERN C=C1CC[C@@H](O)[C@H]1CCCCC 214478956 571759197 /nfs/dbraw/zinc/75/91/97/571759197.db2.gz YDWLHRIKWCWQLI-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN CCCCCC(=O)C(C)=C(C)O 14592495 571759367 /nfs/dbraw/zinc/75/93/67/571759367.db2.gz AVMSYLPUCLCSEG-NTMALXAHSA-N 0 0 170.252 2.988 10 30 AFEERN C=C1CC[C@H](O)[C@@H]1CCCCC 214479106 571759529 /nfs/dbraw/zinc/75/95/29/571759529.db2.gz YDWLHRIKWCWQLI-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN C=C1CC[C@H](O)[C@H]1CCCCC 214479051 571759552 /nfs/dbraw/zinc/75/95/52/571759552.db2.gz YDWLHRIKWCWQLI-QWRGUYRKSA-N 0 0 168.280 2.894 10 30 AFEERN C=C1CC[C@@H](O)[C@@H]1CCCCC 214479004 571759568 /nfs/dbraw/zinc/75/95/68/571759568.db2.gz YDWLHRIKWCWQLI-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN C=C(CCO)CCCC(C)C 14592278 571759870 /nfs/dbraw/zinc/75/98/70/571759870.db2.gz XVHWVIJKRDQEME-UHFFFAOYSA-N 0 0 156.269 2.751 10 30 AFEERN C=CCC(C)(C)/C=C\C(C)=O 17464752 571760470 /nfs/dbraw/zinc/76/04/70/571760470.db2.gz VCFXCRJQVFCGRW-VURMDHGXSA-N 0 0 152.237 2.734 10 30 AFEERN C=C(C)CCOCC(C)(C)CS 168910756 571760488 /nfs/dbraw/zinc/76/04/88/571760488.db2.gz MMBHKNKSMBXXGV-UHFFFAOYSA-N 0 0 188.336 2.925 10 30 AFEERN C#CC(=O)c1ccc(SCC)cc1 233866835 571760555 /nfs/dbraw/zinc/76/05/55/571760555.db2.gz OPSGHDVLXAEZBO-UHFFFAOYSA-N 0 0 190.267 2.615 10 30 AFEERN CCC(F)(F)CC(C)(C)C=O 17436810 571760688 /nfs/dbraw/zinc/76/06/88/571760688.db2.gz NCUIKJBHYZZQTM-UHFFFAOYSA-N 0 0 164.195 2.647 10 30 AFEERN CC(C)(CC#N)CC(F)(F)F 17402430 571760891 /nfs/dbraw/zinc/76/08/91/571760891.db2.gz DMXLTEISKWJKJY-UHFFFAOYSA-N 0 0 165.158 2.879 10 30 AFEERN Cc1ccc(C=Nn2cccc2)s1 379358998 571761147 /nfs/dbraw/zinc/76/11/47/571761147.db2.gz XEBVCVDHDNLXNR-UHFFFAOYSA-N 0 0 190.271 2.740 10 30 AFEERN CC(C)(C)[C@@H](C#N)C(C)(C)F 17401250 571761157 /nfs/dbraw/zinc/76/11/57/571761157.db2.gz IZKFHPQBULFVQU-SSDOTTSWSA-N 0 0 157.232 2.920 10 30 AFEERN CC(C)(C)[C@@H](C#N)C(F)(F)F 17401266 571761322 /nfs/dbraw/zinc/76/13/22/571761322.db2.gz ORINCBQZVGLWJA-RXMQYKEDSA-N 0 0 165.158 2.735 10 30 AFEERN CCC(F)(F)CC(C)(C)C#N 17436812 571761405 /nfs/dbraw/zinc/76/14/05/571761405.db2.gz OHAFROWOBTVTQG-UHFFFAOYSA-N 0 0 161.195 2.972 10 30 AFEERN CC(C)(C)[C@H](C#N)C(C)(C)F 17401252 571761645 /nfs/dbraw/zinc/76/16/45/571761645.db2.gz IZKFHPQBULFVQU-ZETCQYMHSA-N 0 0 157.232 2.920 10 30 AFEERN C=C(CC)CC(=O)[C@@H]1CCOC[C@H]1C 301003436 571761658 /nfs/dbraw/zinc/76/16/58/571761658.db2.gz KYDMUGQZHZSFHR-GHMZBOCLSA-N 0 0 196.290 2.584 10 30 AFEERN CC(C)(C)[C@H](F)C(F)(F)C#N 17432792 571761663 /nfs/dbraw/zinc/76/16/63/571761663.db2.gz VZEGIGHQTZQLJM-YFKPBYRVSA-N 0 0 165.158 2.529 10 30 AFEERN C=C(C)/C=C\C(C)(C)CC=O 17464744 571761799 /nfs/dbraw/zinc/76/17/99/571761799.db2.gz HMIDUZKEECLLOQ-WAYWQWQTSA-N 0 0 152.237 2.734 10 30 AFEERN C=CCC(C)(C)/C=C\[C@H](C)O 17462917 571762056 /nfs/dbraw/zinc/76/20/56/571762056.db2.gz QAADDDWRTRUWNS-XZLDQRQTSA-N 0 0 154.253 2.526 10 30 AFEERN CC(C)(C)[C@@H](F)C(C)(C)C#N 17431158 571762166 /nfs/dbraw/zinc/76/21/66/571762166.db2.gz MIDLVTPVTAHOEJ-SSDOTTSWSA-N 0 0 157.232 2.920 10 30 AFEERN CC(C)/C=C\C(C)(C)CC=O 17462895 571762195 /nfs/dbraw/zinc/76/21/95/571762195.db2.gz KVNRGNWLXDBVQO-WAYWQWQTSA-N 0 0 154.253 2.814 10 30 AFEERN CC(=O)/C=C\C(C)(C)C(C)C 17552817 571762208 /nfs/dbraw/zinc/76/22/08/571762208.db2.gz PVNRUOZFOQCTDV-SREVYHEPSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)(C)[C@@H](F)C(F)(F)C#N 17432789 571762253 /nfs/dbraw/zinc/76/22/53/571762253.db2.gz VZEGIGHQTZQLJM-RXMQYKEDSA-N 0 0 165.158 2.529 10 30 AFEERN C=CCC(C)(C)CCC(C)=O 17455263 571762426 /nfs/dbraw/zinc/76/24/26/571762426.db2.gz BXIGFKAUFRNRFY-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C[C@H](CC#N)c1ccc(Cl)nc1 113244799 571762605 /nfs/dbraw/zinc/76/26/05/571762605.db2.gz GJMMAPXAIBQRQS-SSDOTTSWSA-N 0 0 180.638 2.752 10 30 AFEERN C=C(CC)CC(=O)[C@H]1CCOC[C@@H]1C 301003441 571762795 /nfs/dbraw/zinc/76/27/95/571762795.db2.gz KYDMUGQZHZSFHR-QWRGUYRKSA-N 0 0 196.290 2.584 10 30 AFEERN CC(C)(C)[C@H](F)C(C)(C)C#N 17431161 571762844 /nfs/dbraw/zinc/76/28/44/571762844.db2.gz MIDLVTPVTAHOEJ-ZETCQYMHSA-N 0 0 157.232 2.920 10 30 AFEERN CC(C)CC[C@@]1(C=O)CCCS1 317159466 571763011 /nfs/dbraw/zinc/76/30/11/571763011.db2.gz MQWZZQARRZHMIL-SNVBAGLBSA-N 0 0 186.320 2.887 10 30 AFEERN CC(C)(C)[C@H](C#N)C(F)(F)F 17401268 571763064 /nfs/dbraw/zinc/76/30/64/571763064.db2.gz ORINCBQZVGLWJA-YFKPBYRVSA-N 0 0 165.158 2.735 10 30 AFEERN C=C(C)C[C@@](C)(CO)C(C)C 17828151 571765092 /nfs/dbraw/zinc/76/50/92/571765092.db2.gz DFOJSQKNWUHHLH-JTQLQIEISA-N 0 0 156.269 2.607 10 30 AFEERN C/C=C\C(C)(C)/C=C\C(C)=O 17467147 571763087 /nfs/dbraw/zinc/76/30/87/571763087.db2.gz HGINMKFUJAHYOT-SFECMWDFSA-N 0 0 152.237 2.734 10 30 AFEERN C=CC(C)(C)[C@@H]1CCCC[C@H]1O 220660696 571763134 /nfs/dbraw/zinc/76/31/34/571763134.db2.gz LCDYXUZRHLFXIW-NXEZZACHSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC(C)(C)CC(=O)CCC 17675076 571763577 /nfs/dbraw/zinc/76/35/77/571763577.db2.gz FIGCBRFHRIOLJX-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(CC)CC(=O)[C@H]1CCOC[C@H]1C 301003438 571763162 /nfs/dbraw/zinc/76/31/62/571763162.db2.gz KYDMUGQZHZSFHR-MNOVXSKESA-N 0 0 196.290 2.584 10 30 AFEERN C=CC[C@@H]1CCCC[C@]1(C)O 141895211 571763196 /nfs/dbraw/zinc/76/31/96/571763196.db2.gz NLKLGAAHTKNGED-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC[C@H]1CCCC[C@@]1(C)O 141894636 571763220 /nfs/dbraw/zinc/76/32/20/571763220.db2.gz NLKLGAAHTKNGED-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC(C)(C)[C@@H]1CCCC[C@@H]1O 220660574 571763403 /nfs/dbraw/zinc/76/34/03/571763403.db2.gz LCDYXUZRHLFXIW-ZJUUUORDSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(CC)CC(=O)[C@@H]1CCOC[C@@H]1C 301003443 571763536 /nfs/dbraw/zinc/76/35/36/571763536.db2.gz KYDMUGQZHZSFHR-WDEREUQCSA-N 0 0 196.290 2.584 10 30 AFEERN C=CC(C)(C)[C@H]1CCCC[C@@H]1O 220660630 571764169 /nfs/dbraw/zinc/76/41/69/571764169.db2.gz LCDYXUZRHLFXIW-UWVGGRQHSA-N 0 0 168.280 2.750 10 30 AFEERN CC(C)(C=O)CCCC(F)F 17619584 571764254 /nfs/dbraw/zinc/76/42/54/571764254.db2.gz DJHAMNVYIAZSQQ-UHFFFAOYSA-N 0 0 164.195 2.647 10 30 AFEERN C=C(C)C[C@@](C)(C=O)CCC 17774371 571764282 /nfs/dbraw/zinc/76/42/82/571764282.db2.gz JIDPFYCFQADBAV-JTQLQIEISA-N 0 0 154.253 2.958 10 30 AFEERN CC(C)C[C@@H](F)C(F)(F)C#N 17705352 571764383 /nfs/dbraw/zinc/76/43/83/571764383.db2.gz RXLMJEWGEFTVCN-ZCFIWIBFSA-N 0 0 165.158 2.529 10 30 AFEERN C=CC(C)(C)[C@H]1CCCC[C@H]1O 220660755 571764389 /nfs/dbraw/zinc/76/43/89/571764389.db2.gz LCDYXUZRHLFXIW-VHSXEESVSA-N 0 0 168.280 2.750 10 30 AFEERN CCc1ccc(/C=C/C(C)=O)cc1 26380969 571764642 /nfs/dbraw/zinc/76/46/42/571764642.db2.gz HROYTUBGASOINW-SNAWJCMRSA-N 0 0 174.243 2.851 10 30 AFEERN C=C(C)/C=C\CC(C)(C)C=O 17629279 571764689 /nfs/dbraw/zinc/76/46/89/571764689.db2.gz UCINKWCIWGDJPA-WAYWQWQTSA-N 0 0 152.237 2.734 10 30 AFEERN C=CC(C)(C)C[C@@H](O)CCC 17668642 571764958 /nfs/dbraw/zinc/76/49/58/571764958.db2.gz MQGNRSPDZRXQHG-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN C=CC(C)(C)/C=C(\C)CCO 17694998 571765087 /nfs/dbraw/zinc/76/50/87/571765087.db2.gz IAFKXSHSBYMATG-CMDGGOBGSA-N 0 0 154.253 2.527 10 30 AFEERN CC(C)C[C@H](F)C(F)(F)C#N 17705355 571765120 /nfs/dbraw/zinc/76/51/20/571765120.db2.gz RXLMJEWGEFTVCN-LURJTMIESA-N 0 0 165.158 2.529 10 30 AFEERN N#CC[C@H](C1CCC1)C1CC1 17753386 571765214 /nfs/dbraw/zinc/76/52/14/571765214.db2.gz PFHNUYGNVCPSJD-SNVBAGLBSA-N 0 0 149.237 2.726 10 30 AFEERN N#CC[C@@H](C1CCC1)C1CC1 17753383 571765271 /nfs/dbraw/zinc/76/52/71/571765271.db2.gz PFHNUYGNVCPSJD-JTQLQIEISA-N 0 0 149.237 2.726 10 30 AFEERN C=C(C)C[C@](C)(CO)C(C)C 17828149 571765327 /nfs/dbraw/zinc/76/53/27/571765327.db2.gz DFOJSQKNWUHHLH-SNVBAGLBSA-N 0 0 156.269 2.607 10 30 AFEERN CC(C)(C#N)CCCC(F)F 17619586 571765499 /nfs/dbraw/zinc/76/54/99/571765499.db2.gz JSGSXHRAMKLLIO-UHFFFAOYSA-N 0 0 161.195 2.972 10 30 AFEERN C=C[C@@H](CCC)[C@@H](O)CCC 38582583 571765571 /nfs/dbraw/zinc/76/55/71/571765571.db2.gz HHZHXRNNAIZDHK-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN CC(C)C[C@@H](F)C(C)(C)C#N 17703801 571765654 /nfs/dbraw/zinc/76/56/54/571765654.db2.gz QCQLZGWVGAXGNC-MRVPVSSYSA-N 0 0 157.232 2.920 10 30 AFEERN C=CC[C@H](O)CC(C)(C)CC 17666364 571765691 /nfs/dbraw/zinc/76/56/91/571765691.db2.gz GJNDPIRWKFQCRD-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN CC(C)/C=C\CC(C)(C)C=O 17626890 571765715 /nfs/dbraw/zinc/76/57/15/571765715.db2.gz BYJLQDBNTAACKY-WAYWQWQTSA-N 0 0 154.253 2.814 10 30 AFEERN C=CC(C)(C)C/C(C)=C/CO 17689216 571765854 /nfs/dbraw/zinc/76/58/54/571765854.db2.gz RBMZHQSWIKDRRH-RMKNXTFCSA-N 0 0 154.253 2.527 10 30 AFEERN C/C=C/C(=O)CC(C)(C)CC 17680310 571765866 /nfs/dbraw/zinc/76/58/66/571765866.db2.gz LTPCOAHDJFKQMV-FNORWQNLSA-N 0 0 154.253 2.958 10 30 AFEERN C=CC[C@@H](O)CC(C)(C)CC 17666365 571765914 /nfs/dbraw/zinc/76/59/14/571765914.db2.gz GJNDPIRWKFQCRD-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN CCO[C@H](C#N)[C@H](C)CC(C)C 301003057 571767218 /nfs/dbraw/zinc/76/72/18/571767218.db2.gz XKRXABQMJDNTGR-NXEZZACHSA-N 0 0 169.268 2.597 10 30 AFEERN Cc1cc(C)n(CC#CC(C)(C)C)n1 300751087 571767557 /nfs/dbraw/zinc/76/75/57/571767557.db2.gz LCIPMUBVHDOHNX-UHFFFAOYSA-N 0 0 190.290 2.549 10 30 AFEERN CC/C=C\C(=O)c1ccc(C)nc1 687799410 571767631 /nfs/dbraw/zinc/76/76/31/571767631.db2.gz QGCCKMZLPKHSTC-PLNGDYQASA-N 0 0 175.231 2.539 10 30 AFEERN CCO[C@H](C#N)[C@@H](C)CC(C)C 301003059 571767761 /nfs/dbraw/zinc/76/77/61/571767761.db2.gz XKRXABQMJDNTGR-VHSXEESVSA-N 0 0 169.268 2.597 10 30 AFEERN CC(C)CN[C@@H](C#N)[C@H](C)CC(C)C 301003061 571769014 /nfs/dbraw/zinc/76/90/14/571769014.db2.gz XKTWKXLUXHQBJU-NEPJUHHUSA-N 0 0 196.338 2.806 10 30 AFEERN C=CC[C@]1(C(=O)OC)CCC[C@@H]1C 38671965 571769109 /nfs/dbraw/zinc/76/91/09/571769109.db2.gz UBBVSEJAOSKVLE-ONGXEEELSA-N 0 0 182.263 2.542 10 30 AFEERN CC(C)CN[C@H](C#N)[C@@H](C)CC(C)C 301003062 571769408 /nfs/dbraw/zinc/76/94/08/571769408.db2.gz XKTWKXLUXHQBJU-NWDGAFQWSA-N 0 0 196.338 2.806 10 30 AFEERN CC(C)(C)C#CCn1cccc1 300754035 571769436 /nfs/dbraw/zinc/76/94/36/571769436.db2.gz LYLHAXSSSIPWLJ-UHFFFAOYSA-N 0 0 161.248 2.538 10 30 AFEERN CCO[C@@H](C#N)[C@H](C)CC(C)C 301003060 571769546 /nfs/dbraw/zinc/76/95/46/571769546.db2.gz XKRXABQMJDNTGR-ZJUUUORDSA-N 0 0 169.268 2.597 10 30 AFEERN CC(C)CN[C@H](C#N)[C@H](C)CC(C)C 301003064 571769581 /nfs/dbraw/zinc/76/95/81/571769581.db2.gz XKTWKXLUXHQBJU-VXGBXAGGSA-N 0 0 196.338 2.806 10 30 AFEERN C[C@@H]1Cc2cc([C@@H](C)C#N)ccc2O1 214484683 571769888 /nfs/dbraw/zinc/76/98/88/571769888.db2.gz NJEXVTLZYLIZGU-DTWKUNHWSA-N 0 0 187.242 2.637 10 30 AFEERN C=C(C)COc1ccccc1CC#N 214482045 571770014 /nfs/dbraw/zinc/77/00/14/571770014.db2.gz LEUCAHSMSACMNL-UHFFFAOYSA-N 0 0 187.242 2.708 10 30 AFEERN CCO[C@@H](C#N)[C@@H](C)CC(C)C 301003058 571770141 /nfs/dbraw/zinc/77/01/41/571770141.db2.gz XKRXABQMJDNTGR-UWVGGRQHSA-N 0 0 169.268 2.597 10 30 AFEERN N#CCc1ccc([C@@H]2CCCO2)cc1 214481840 571770155 /nfs/dbraw/zinc/77/01/55/571770155.db2.gz IHPMSYXBGVQLHG-LBPRGKRZSA-N 0 0 187.242 2.604 10 30 AFEERN Cc1cc(O)cc(C2(C#N)CCC2)c1 214484204 571770419 /nfs/dbraw/zinc/77/04/19/571770419.db2.gz NDAWNQGRYGPHEG-UHFFFAOYSA-N 0 0 187.242 2.646 10 30 AFEERN CC(C)CN[C@@H](C#N)[C@@H](C)CC(C)C 301003063 571770495 /nfs/dbraw/zinc/77/04/95/571770495.db2.gz XKTWKXLUXHQBJU-RYUDHWBXSA-N 0 0 196.338 2.806 10 30 AFEERN CC1(C)[C@@H]2CC[C@@]1(CC#N)/C(=N/O)C2 1462909 571770789 /nfs/dbraw/zinc/77/07/89/571770789.db2.gz HXVGJANHMIGCRV-JXMJTRJVSA-N 0 0 192.262 2.557 10 30 AFEERN N#CCc1ccccc1OCC1CC1 214482455 571771167 /nfs/dbraw/zinc/77/11/67/571771167.db2.gz VKTBBGKYSUMAPI-UHFFFAOYSA-N 0 0 187.242 2.541 10 30 AFEERN C[C@H]1Cc2cc([C@H](C)C#N)ccc2O1 214484861 571771316 /nfs/dbraw/zinc/77/13/16/571771316.db2.gz NJEXVTLZYLIZGU-BDAKNGLRSA-N 0 0 187.242 2.637 10 30 AFEERN N#CCc1ccc([C@H]2CCCO2)cc1 214481893 571771391 /nfs/dbraw/zinc/77/13/91/571771391.db2.gz IHPMSYXBGVQLHG-GFCCVEGCSA-N 0 0 187.242 2.604 10 30 AFEERN N#CCc1cccc(OCC2CC2)c1 214482368 571771538 /nfs/dbraw/zinc/77/15/38/571771538.db2.gz QLTKRJGKBDCQPH-UHFFFAOYSA-N 0 0 187.242 2.541 10 30 AFEERN C[C@H]1Cc2cc([C@@H](C)C#N)ccc2O1 214484737 571771665 /nfs/dbraw/zinc/77/16/65/571771665.db2.gz NJEXVTLZYLIZGU-IUCAKERBSA-N 0 0 187.242 2.637 10 30 AFEERN CC=CC(=O)C[C@@]1(C)CC1(F)F 689356883 571771685 /nfs/dbraw/zinc/77/16/85/571771685.db2.gz MEWQATLEOVXFBW-RTMURIBGSA-N 0 0 174.190 2.567 10 30 AFEERN Cc1ccc(C)c(C2(C#N)CC2)c1O 214484527 571771768 /nfs/dbraw/zinc/77/17/68/571771768.db2.gz IQOPSHSJTUVANL-UHFFFAOYSA-N 0 0 187.242 2.564 10 30 AFEERN COc1cc(CC#N)ccc1C1CC1 214481962 571771783 /nfs/dbraw/zinc/77/17/83/571771783.db2.gz INCVBYLLXNWHPI-UHFFFAOYSA-N 0 0 187.242 2.639 10 30 AFEERN CC=CC(=O)C[C@]1(C)CC1(F)F 689356888 571771826 /nfs/dbraw/zinc/77/18/26/571771826.db2.gz MEWQATLEOVXFBW-TUUFMJSCSA-N 0 0 174.190 2.567 10 30 AFEERN CC=CC(=O)C[C@]1(C)CC1(F)F 689356879 571772047 /nfs/dbraw/zinc/77/20/47/571772047.db2.gz MEWQATLEOVXFBW-MPJRPATESA-N 0 0 174.190 2.567 10 30 AFEERN CC(C)CC[C@@H]1CCC=CC1=O 196081620 571772150 /nfs/dbraw/zinc/77/21/50/571772150.db2.gz NLCLXKIRODURMA-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN COc1cccc(C)c1C1(C#N)CC1 214484370 571772374 /nfs/dbraw/zinc/77/23/74/571772374.db2.gz DURYQRNLPLKCRK-UHFFFAOYSA-N 0 0 187.242 2.559 10 30 AFEERN C[C@H]1CC(C)(C)C[C@@](C#N)(N(C)C)C1 37354714 571772378 /nfs/dbraw/zinc/77/23/78/571772378.db2.gz PYVTUTZYXUDUNB-JQWIXIFHSA-N 0 0 194.322 2.657 10 30 AFEERN C=C[C@@H](C)Oc1ccc(C)cc1C=O 70955418 571772395 /nfs/dbraw/zinc/77/23/95/571772395.db2.gz PLXSOHCWTJFBFI-SNVBAGLBSA-N 0 0 190.242 2.761 10 30 AFEERN CCC1=C(C)C(=O)C[C@H](C)C1 196088224 571772414 /nfs/dbraw/zinc/77/24/14/571772414.db2.gz XIMLWJMRVCDWFS-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN CCC1=C(C)C(=O)C[C@@H](C)C1 196088240 571772419 /nfs/dbraw/zinc/77/24/19/571772419.db2.gz XIMLWJMRVCDWFS-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1ccc(OC2CC2)c(CC#N)c1 214482768 571772424 /nfs/dbraw/zinc/77/24/24/571772424.db2.gz SWEZRQQORMNDLL-UHFFFAOYSA-N 0 0 187.242 2.602 10 30 AFEERN CC(C)CC[C@H]1CCC=CC1=O 196081627 571772491 /nfs/dbraw/zinc/77/24/91/571772491.db2.gz NLCLXKIRODURMA-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1oc2c(c1C1(C#N)CC1)CCC2 214485980 571772568 /nfs/dbraw/zinc/77/25/68/571772568.db2.gz PPIALAVXMNDUFQ-UHFFFAOYSA-N 0 0 187.242 2.632 10 30 AFEERN Cc1cc(C2(C#N)CC2)c(C)cc1O 214484446 571772627 /nfs/dbraw/zinc/77/26/27/571772627.db2.gz YCIUKYMSDCACQP-UHFFFAOYSA-N 0 0 187.242 2.564 10 30 AFEERN CC=CC(=O)C[C@@]1(C)CC1(F)F 689356890 571772643 /nfs/dbraw/zinc/77/26/43/571772643.db2.gz MEWQATLEOVXFBW-VEMNSZJBSA-N 0 0 174.190 2.567 10 30 AFEERN C[C@H]1CC(C)(C)C[C@](C#N)(N(C)C)C1 37354718 571772677 /nfs/dbraw/zinc/77/26/77/571772677.db2.gz PYVTUTZYXUDUNB-CMPLNLGQSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@H](C#N)c1ccc2c(c1)C[C@@H](C)O2 214484803 571772678 /nfs/dbraw/zinc/77/26/78/571772678.db2.gz NJEXVTLZYLIZGU-RKDXNWHRSA-N 0 0 187.242 2.637 10 30 AFEERN CC(C)c1ccc(N/C=N/O)cc1 26752991 571772720 /nfs/dbraw/zinc/77/27/20/571772720.db2.gz XQHGYIOMSIVJMT-UHFFFAOYSA-N 0 0 178.235 2.639 10 30 AFEERN CCCCOc1cccc(C=NO)c1 250119098 571773022 /nfs/dbraw/zinc/77/30/22/571773022.db2.gz VBHPNUBEESROEO-UHFFFAOYSA-N 0 0 193.246 2.674 10 30 AFEERN CCCc1ccc(C)c(C#N)c1 142342084 571773061 /nfs/dbraw/zinc/77/30/61/571773061.db2.gz SZYIDSOMGLFFFF-UHFFFAOYSA-N 0 0 159.232 2.819 10 30 AFEERN CC(=O)C1=C([Si](C)(C)C)CC1 196096773 571773220 /nfs/dbraw/zinc/77/32/20/571773220.db2.gz GIEVYCDCOSWCGL-UHFFFAOYSA-N 0 0 168.312 2.543 10 30 AFEERN CC1=CC(=O)[C@H]2[C@@H](CC1)C2(C)C 1570535 571773799 /nfs/dbraw/zinc/77/37/99/571773799.db2.gz HKLAYEXHPLHZCH-PSASIEDQSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)c1ccc([C@H](C#N)C=O)cc1 37354654 571773877 /nfs/dbraw/zinc/77/38/77/571773877.db2.gz ULXMKVLCBPKBDL-GFCCVEGCSA-N 0 0 187.242 2.616 10 30 AFEERN O=C1CCC#CCCCCCC1 220686263 571773885 /nfs/dbraw/zinc/77/38/85/571773885.db2.gz ZRECSWIEPUPOSE-UHFFFAOYSA-N 0 0 164.248 2.693 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@@](C#N)(N(C)C)C1 37354712 571774109 /nfs/dbraw/zinc/77/41/09/571774109.db2.gz PYVTUTZYXUDUNB-PWSUYJOCSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)(C)[C@H]1CCC=CC(=O)C1 1570508 571774178 /nfs/dbraw/zinc/77/41/78/571774178.db2.gz XXRZJOHENVCOPY-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@](C#N)(N(C)C)C1 37354716 571774235 /nfs/dbraw/zinc/77/42/35/571774235.db2.gz PYVTUTZYXUDUNB-ZYHUDNBSSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)(C)[C@H]1CC=CC(=O)CC1 1570511 571774293 /nfs/dbraw/zinc/77/42/93/571774293.db2.gz QTWUMKGRDSPOMB-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN N#CCCC(C1CC1)C1CC1 19461341 571774338 /nfs/dbraw/zinc/77/43/38/571774338.db2.gz AWKSXCFQFNPZDH-UHFFFAOYSA-N 0 0 149.237 2.726 10 30 AFEERN O=C1CCCC#CCCCCC1 220684510 571774989 /nfs/dbraw/zinc/77/49/89/571774989.db2.gz QIDLEMZIJDZRTP-UHFFFAOYSA-N 0 0 164.248 2.693 10 30 AFEERN CC(=O)/C=C1/[C@@H]2CC[C@@H](C2)C1(C)C 205189729 571775129 /nfs/dbraw/zinc/77/51/29/571775129.db2.gz XALOCGICVJIHMO-YMQLOLIISA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@H](C)[C@@H](O)/C=C/CCC 39017286 571775156 /nfs/dbraw/zinc/77/51/56/571775156.db2.gz XRKYXUAJVIKWKG-GOPXOUGQSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@]12CCC[C@@H](O)[C@@H]1CCC2 220697859 571775463 /nfs/dbraw/zinc/77/54/63/571775463.db2.gz ZEBHOTBHCFNPHN-AXFHLTTASA-N 0 0 166.264 2.504 10 30 AFEERN CN(C)C1(C#N)CCCCCCC1 37354895 571775560 /nfs/dbraw/zinc/77/55/60/571775560.db2.gz JAXWSLWIKNMKOX-UHFFFAOYSA-N 0 0 180.295 2.555 10 30 AFEERN CC1=CC(=O)[C@@H]2[C@H](CC1)C2(C)C 1570534 571775888 /nfs/dbraw/zinc/77/58/88/571775888.db2.gz HKLAYEXHPLHZCH-WPRPVWTQSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(Cl)cc(C)c1C#N 142778430 571775946 /nfs/dbraw/zinc/77/59/46/571775946.db2.gz LYCNAJGWLQJGPJ-UHFFFAOYSA-N 0 0 165.623 2.829 10 30 AFEERN C=C(C)/C=C\C(=O)/C=C\C(=C)C 113267325 571776021 /nfs/dbraw/zinc/77/60/21/571776021.db2.gz FPVIOJGMBGQRFH-SFECMWDFSA-N 0 0 162.232 2.820 10 30 AFEERN CC#CCCC(=O)CSCC(C)C 160925245 571776134 /nfs/dbraw/zinc/77/61/34/571776134.db2.gz BCWTYSQOEHTJOC-UHFFFAOYSA-N 0 0 198.331 2.748 10 30 AFEERN C#Cc1ccc(CCC)cc1F 221039499 571776149 /nfs/dbraw/zinc/77/61/49/571776149.db2.gz ULIMRDHWKJEPAZ-UHFFFAOYSA-N 0 0 162.207 2.760 10 30 AFEERN C=C(C)/C=C\C(=O)/C=C/C(=C)C 113267327 571776329 /nfs/dbraw/zinc/77/63/29/571776329.db2.gz FPVIOJGMBGQRFH-CGXWXWIYSA-N 0 0 162.232 2.820 10 30 AFEERN C=CCC(C)(C)C[C@H](O)C(C)C 38949531 571776379 /nfs/dbraw/zinc/77/63/79/571776379.db2.gz PPKWVFNQGIHXKC-JTQLQIEISA-N 0 0 170.296 2.996 10 30 AFEERN CC(C)C[C@](C)(C#N)N1CCCCC1 37355694 571776685 /nfs/dbraw/zinc/77/66/85/571776685.db2.gz SAEGXFGTSUWBOW-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN C=CC#C[C@@]1(O)[C@H](C)CCCC1(C)C 205611571 571776951 /nfs/dbraw/zinc/77/69/51/571776951.db2.gz DIZMWWQPPVFART-DGCLKSJQSA-N 0 0 192.302 2.753 10 30 AFEERN C/C=C(/CC)C(=O)CCOC(C)C 687800399 571777048 /nfs/dbraw/zinc/77/70/48/571777048.db2.gz LFSWDHPQDCUPPA-YHYXMXQVSA-N 0 0 184.279 2.727 10 30 AFEERN C/C=C(\CC)C(=O)CCOC(C)C 687800398 571777318 /nfs/dbraw/zinc/77/73/18/571777318.db2.gz LFSWDHPQDCUPPA-BJMVGYQFSA-N 0 0 184.279 2.727 10 30 AFEERN C=C(C)/C=C/C(=O)/C=C/C(=C)C 113267329 571777394 /nfs/dbraw/zinc/77/73/94/571777394.db2.gz FPVIOJGMBGQRFH-KQQUZDAGSA-N 0 0 162.232 2.820 10 30 AFEERN C=CC#C[C@]1(O)[C@@H](C)CCCC1(C)C 205611556 571777462 /nfs/dbraw/zinc/77/74/62/571777462.db2.gz DIZMWWQPPVFART-AAEUAGOBSA-N 0 0 192.302 2.753 10 30 AFEERN C[C@H](C#N)C1CCCCC1 37367454 571777517 /nfs/dbraw/zinc/77/75/17/571777517.db2.gz TUYRLQIRJYXKMF-MRVPVSSYSA-N 0 0 137.226 2.726 10 30 AFEERN CCc1ccc(O[C@@H](C)C#N)cc1 1605491 571777649 /nfs/dbraw/zinc/77/76/49/571777649.db2.gz TYIGKTYZYBPYHB-VIFPVBQESA-N 0 0 175.231 2.540 10 30 AFEERN C=CC#C[C@@]1(O)[C@@H](C)CCCC1(C)C 205611582 571777665 /nfs/dbraw/zinc/77/76/65/571777665.db2.gz DIZMWWQPPVFART-WCQYABFASA-N 0 0 192.302 2.753 10 30 AFEERN CC(C)C[C@@](C)(C#N)N1CCCCC1 37355693 571777928 /nfs/dbraw/zinc/77/79/28/571777928.db2.gz SAEGXFGTSUWBOW-LBPRGKRZSA-N 0 0 194.322 2.801 10 30 AFEERN CCCCCCCN1CCCCN1 400289698 571778233 /nfs/dbraw/zinc/77/82/33/571778233.db2.gz NIVPAFNRGQZMEA-UHFFFAOYSA-N 0 0 184.327 2.557 10 30 AFEERN CCC(C#N)(CC)N1CCCCC1 37355628 571778238 /nfs/dbraw/zinc/77/82/38/571778238.db2.gz MGQXDXZVMJFHRR-UHFFFAOYSA-N 0 0 180.295 2.555 10 30 AFEERN C=C1CCCc2c(O)cccc21 116800257 571778256 /nfs/dbraw/zinc/77/82/56/571778256.db2.gz MBGATQBSGNOVDQ-UHFFFAOYSA-N 0 0 160.216 2.742 10 30 AFEERN Cc1ccc(C)c(CC(C#N)C#N)c1 1602997 571778540 /nfs/dbraw/zinc/77/85/40/571778540.db2.gz OCOBUXNUCHUQOW-UHFFFAOYSA-N 0 0 184.242 2.509 10 30 AFEERN CC#CCC[C@@H](O)[C@@H](C)CC(C)C 301006986 571779122 /nfs/dbraw/zinc/77/91/22/571779122.db2.gz YBYXQCNGKLVDRQ-NWDGAFQWSA-N 0 0 182.307 2.833 10 30 AFEERN Cc1cc(SCCC=O)ccc1F 19686161 571781490 /nfs/dbraw/zinc/78/14/90/571781490.db2.gz LURATVQZGKYNRN-UHFFFAOYSA-N 0 0 198.262 2.815 10 30 AFEERN CC(C)OCC[C@@]1(C=O)CCC[C@H]1C 317215253 571779203 /nfs/dbraw/zinc/77/92/03/571779203.db2.gz WMUITYIZNVOWNN-VXGBXAGGSA-N 0 0 198.306 2.807 10 30 AFEERN CC(C)OCC[C@]1(C=O)CCC[C@H]1C 317215250 571779556 /nfs/dbraw/zinc/77/95/56/571779556.db2.gz WMUITYIZNVOWNN-NEPJUHHUSA-N 0 0 198.306 2.807 10 30 AFEERN CCCC[C@H](C)C(=O)[C@H](C#N)CC 301008326 571779663 /nfs/dbraw/zinc/77/96/63/571779663.db2.gz ZIMZJTAZZVMDJM-UWVGGRQHSA-N 0 0 181.279 2.932 10 30 AFEERN CCCC[C@H](C)C(=O)[C@@H](C#N)CC 301008327 571779673 /nfs/dbraw/zinc/77/96/73/571779673.db2.gz ZIMZJTAZZVMDJM-VHSXEESVSA-N 0 0 181.279 2.932 10 30 AFEERN CCCC[C@@H](C)C(=O)[C@@H](C#N)CC 301008325 571779804 /nfs/dbraw/zinc/77/98/04/571779804.db2.gz ZIMZJTAZZVMDJM-NXEZZACHSA-N 0 0 181.279 2.932 10 30 AFEERN CC[C@@H](O)C(=O)C1=CCCCCCC1 233892886 571779881 /nfs/dbraw/zinc/77/98/81/571779881.db2.gz MQXHWKQUYCSCNT-LLVKDONJSA-N 0 0 196.290 2.607 10 30 AFEERN N#Cc1cc2ncsc2cc1Cl 143000941 571780076 /nfs/dbraw/zinc/78/00/76/571780076.db2.gz GPZPWMHEYGJEIV-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN CC#CCC[C@H](O)[C@@H](C)CC(C)C 301006988 571780082 /nfs/dbraw/zinc/78/00/82/571780082.db2.gz YBYXQCNGKLVDRQ-RYUDHWBXSA-N 0 0 182.307 2.833 10 30 AFEERN C=Nc1ccc(Cl)cc1 1654174 571780318 /nfs/dbraw/zinc/78/03/18/571780318.db2.gz MOSCZLRRDGXZSI-UHFFFAOYSA-N 0 0 139.585 2.672 10 30 AFEERN C=C(Cl)Cc1scnc1C 142874963 571781549 /nfs/dbraw/zinc/78/15/49/571781549.db2.gz KLSOOQNOMCDBRA-UHFFFAOYSA-N 0 0 173.668 2.747 10 30 AFEERN CCc1occc1C(=O)C=C(C)C 234164847 571784336 /nfs/dbraw/zinc/78/43/36/571784336.db2.gz ZVZTXUHNHRISGR-UHFFFAOYSA-N 0 0 178.231 2.991 10 30 AFEERN CCc1ccc(SCC=O)cc1 19686073 571780563 /nfs/dbraw/zinc/78/05/63/571780563.db2.gz MRWKADUIMFDBNJ-UHFFFAOYSA-N 0 0 180.272 2.540 10 30 AFEERN Cc1cc(F)ccc1SCCC=O 19686163 571780647 /nfs/dbraw/zinc/78/06/47/571780647.db2.gz ONVZYMPSKKZYLJ-UHFFFAOYSA-N 0 0 198.262 2.815 10 30 AFEERN CC#CCC[C@H](O)[C@H](C)CC(C)C 301006984 571781098 /nfs/dbraw/zinc/78/10/98/571781098.db2.gz YBYXQCNGKLVDRQ-NEPJUHHUSA-N 0 0 182.307 2.833 10 30 AFEERN C=CCCCC[C@@H](O)CCC 71278084 571783322 /nfs/dbraw/zinc/78/33/22/571783322.db2.gz VFMXOJRTPLVMPB-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN CCCC/C=C\CC[C@H]1CO1 142827833 571781253 /nfs/dbraw/zinc/78/12/53/571781253.db2.gz KPHGVWFLRAWMDM-OMMCCPJFSA-N 0 0 154.253 2.912 10 30 AFEERN CC1(C)CCC(=O)C2=C1CCC2 1657575 571781306 /nfs/dbraw/zinc/78/13/06/571781306.db2.gz NWPCBUVQCWYOMG-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CCc1ccccc1/C(Cl)=N/O 234148206 571781424 /nfs/dbraw/zinc/78/14/24/571781424.db2.gz MNIVGTGUZMEWKU-LUAWRHEFSA-N 0 0 183.638 2.624 10 30 AFEERN C=C(C)c1cc(CC#N)ccc1OC 116838682 571781604 /nfs/dbraw/zinc/78/16/04/571781604.db2.gz HDHSTIYLPAHKHO-UHFFFAOYSA-N 0 0 187.242 2.794 10 30 AFEERN C[C@@]12CCCC[C@H]1C=CC(=O)C2 1715885 571783349 /nfs/dbraw/zinc/78/33/49/571783349.db2.gz OCFLXMFTRFJPHW-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCCC[C@H](O)CCC 71278085 571782662 /nfs/dbraw/zinc/78/26/62/571782662.db2.gz VFMXOJRTPLVMPB-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN Cc1cc(O)cc(C)c1[C@H](C)C#N 140110078 571782768 /nfs/dbraw/zinc/78/27/68/571782768.db2.gz BYMVOIIPVHYZIY-SECBINFHSA-N 0 0 175.231 2.636 10 30 AFEERN CON=C(C)c1cc(C)cc(C)c1 379387387 571782837 /nfs/dbraw/zinc/78/28/37/571782837.db2.gz HFQXREDJNNPHLV-UHFFFAOYSA-N 0 0 177.247 2.674 10 30 AFEERN O=C1CCCC1=CNc1ccccc1 27332906 571783440 /nfs/dbraw/zinc/78/34/40/571783440.db2.gz NJPHRABPGJLGHX-MDZDMXLPSA-N 0 0 187.242 2.735 10 30 AFEERN CC[C@@H]1CC[C@](C#N)(N[C@H](C)CC)C1 227213345 571783222 /nfs/dbraw/zinc/78/32/22/571783222.db2.gz XQFDXWKDEXANJH-UTUOFQBUSA-N 0 0 194.322 2.847 10 30 AFEERN C=C1C[C@@]23C=C[C@@H](O)C[C@@H]2C[C@@H]1CC3 140176193 571785850 /nfs/dbraw/zinc/78/58/50/571785850.db2.gz MLMKJIKCPIWXRU-WUHRBBMRSA-N 0 0 190.286 2.670 10 30 AFEERN CCC(=CC(=O)C[C@H]1CCOC1)CC 401085699 571783514 /nfs/dbraw/zinc/78/35/14/571783514.db2.gz YQMDASXEZSZDLR-LLVKDONJSA-N 0 0 196.290 2.729 10 30 AFEERN Cc1cc(O)cc(C)c1[C@@H](C)C#N 140109923 571783761 /nfs/dbraw/zinc/78/37/61/571783761.db2.gz BYMVOIIPVHYZIY-VIFPVBQESA-N 0 0 175.231 2.636 10 30 AFEERN C[C@]12CCCC[C@@H]1C=CC(=O)C2 1715886 571783873 /nfs/dbraw/zinc/78/38/73/571783873.db2.gz OCFLXMFTRFJPHW-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@]12C=CC(=O)C=C1CCCC2 1762776 571784254 /nfs/dbraw/zinc/78/42/54/571784254.db2.gz HDLROIOWMZBQCS-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN CC(C)C[C@@H](C)C(=O)[C@H](C)CC#N 301013158 571784374 /nfs/dbraw/zinc/78/43/74/571784374.db2.gz ZCJKIQIZYITVCW-NXEZZACHSA-N 0 0 181.279 2.787 10 30 AFEERN C=CCC[C@@](C)(O)C[C@@H]1CCCOC1 689364678 571786574 /nfs/dbraw/zinc/78/65/74/571786574.db2.gz YPJGOUOXHRTMPV-NWDGAFQWSA-N 0 0 198.306 2.520 10 30 AFEERN CCC(=O)C1=CCC[C@@H](C)S1 140121070 571784934 /nfs/dbraw/zinc/78/49/34/571784934.db2.gz CNFFEWUYIKNUOC-SSDOTTSWSA-N 0 0 170.277 2.765 10 30 AFEERN CC(C)C[C@H](C)C(=O)[C@H](C)CC#N 301013161 571784973 /nfs/dbraw/zinc/78/49/73/571784973.db2.gz ZCJKIQIZYITVCW-ZJUUUORDSA-N 0 0 181.279 2.787 10 30 AFEERN C=CCC[C@](C)(O)C[C@@H]1CCCOC1 689364679 571785869 /nfs/dbraw/zinc/78/58/69/571785869.db2.gz YPJGOUOXHRTMPV-RYUDHWBXSA-N 0 0 198.306 2.520 10 30 AFEERN C/C=C/C=C/C[C@H](C)CC=O 39184663 571785525 /nfs/dbraw/zinc/78/55/25/571785525.db2.gz SNHYHZASDWQMBF-POOPIXKXSA-N 0 0 152.237 2.734 10 30 AFEERN C=C(C)C(=O)c1ccoc1CC 234164102 571785546 /nfs/dbraw/zinc/78/55/46/571785546.db2.gz SOMQGOMBVBGRBU-UHFFFAOYSA-N 0 0 164.204 2.601 10 30 AFEERN CC1(C)CCC[C@@]2(C)C=CC(=O)[C@@H]12 140191958 571785926 /nfs/dbraw/zinc/78/59/26/571785926.db2.gz SCQOJMWGEDBFTN-JQWIXIFHSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@@H](C)C(=O)c1ccc(F)cc1 140190059 571785935 /nfs/dbraw/zinc/78/59/35/571785935.db2.gz UNSZYLVFLGTUHI-MRVPVSSYSA-N 0 0 178.206 2.831 10 30 AFEERN CC(C)C[C@H](C)C(=O)[C@@H](C)CC#N 301013159 571785983 /nfs/dbraw/zinc/78/59/83/571785983.db2.gz ZCJKIQIZYITVCW-UWVGGRQHSA-N 0 0 181.279 2.787 10 30 AFEERN C=CC(C=C)[C@@H](O)c1ccccc1 35063174 571786006 /nfs/dbraw/zinc/78/60/06/571786006.db2.gz XHRXQFGXDYZLHL-GFCCVEGCSA-N 0 0 174.243 2.708 10 30 AFEERN C=C(F)Cc1ccc(OC)c(OC)c1 3644516 571786087 /nfs/dbraw/zinc/78/60/87/571786087.db2.gz YIBIHAQVLYLVPT-UHFFFAOYSA-N 0 0 196.221 2.730 10 30 AFEERN C=CCOc1cccc2[nH]ccc12 140180624 571786520 /nfs/dbraw/zinc/78/65/20/571786520.db2.gz KPCXRFJSTOKBTQ-UHFFFAOYSA-N 0 0 173.215 2.733 10 30 AFEERN CC(C)C[C@@H](C)C(=O)[C@@H](C)CC#N 301013160 571786736 /nfs/dbraw/zinc/78/67/36/571786736.db2.gz ZCJKIQIZYITVCW-VHSXEESVSA-N 0 0 181.279 2.787 10 30 AFEERN C=CCC[C@@](C)(O)C[C@H]1CCCOC1 689364680 571786795 /nfs/dbraw/zinc/78/67/95/571786795.db2.gz YPJGOUOXHRTMPV-VXGBXAGGSA-N 0 0 198.306 2.520 10 30 AFEERN CC1=CCCC(=C(C)C)C1=O 1850970 571786911 /nfs/dbraw/zinc/78/69/11/571786911.db2.gz IJABTABLCUQICW-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=C(CCC=C(C)C)[C@@H](C)O 140147689 571787019 /nfs/dbraw/zinc/78/70/19/571787019.db2.gz URZOUGUGOPLPAO-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN N#CCC1=CCc2ccccc21 1845706 571787084 /nfs/dbraw/zinc/78/70/84/571787084.db2.gz XKRYOUCCZJSMIW-UHFFFAOYSA-N 0 0 155.200 2.540 10 30 AFEERN C=CCC[C@](C)(O)C[C@H]1CCCOC1 689364677 571787147 /nfs/dbraw/zinc/78/71/47/571787147.db2.gz YPJGOUOXHRTMPV-NEPJUHHUSA-N 0 0 198.306 2.520 10 30 AFEERN C=CCCCCc1ccc(C=O)[nH]1 39185034 571787281 /nfs/dbraw/zinc/78/72/81/571787281.db2.gz WQVNFCNBZZWWRP-UHFFFAOYSA-N 0 0 177.247 2.726 10 30 AFEERN Cc1cccn2c(C#N)c(C(C)C)nc12 19767611 571787405 /nfs/dbraw/zinc/78/74/05/571787405.db2.gz WSNCRKWVJZPRJI-UHFFFAOYSA-N 0 0 199.257 2.638 10 30 AFEERN CC(=O)/C=C(\C)c1coc(C)c1 140160992 571787414 /nfs/dbraw/zinc/78/74/14/571787414.db2.gz YWDLQBYEIUTMJF-QPJJXVBHSA-N 0 0 164.204 2.580 10 30 AFEERN C=C[C@]1(C)CC[C@H](C(=C)C)[C@@H](O)C1 140197205 571787504 /nfs/dbraw/zinc/78/75/04/571787504.db2.gz QYBMLJGFALGZQY-GRYCIOLGSA-N 0 0 180.291 2.916 10 30 AFEERN Cc1ccn2c(C#N)c(C(C)C)nc2c1 19767612 571787555 /nfs/dbraw/zinc/78/75/55/571787555.db2.gz QILXWGRPFPUYQZ-UHFFFAOYSA-N 0 0 199.257 2.638 10 30 AFEERN C#CC(C)(C)c1cc(C)c(N)c(C)c1 140177943 571787620 /nfs/dbraw/zinc/78/76/20/571787620.db2.gz FEQJMVAOCWXRCD-UHFFFAOYSA-N 0 0 187.286 2.796 10 30 AFEERN CC(C)(C)c1nc2ccccn2c1C#N 19767619 571787656 /nfs/dbraw/zinc/78/76/56/571787656.db2.gz CPCITYYXBZYPIF-UHFFFAOYSA-N 0 0 199.257 2.503 10 30 AFEERN CC(C)C[C@@H](C#N)OC(C)(C)C 143119099 571787730 /nfs/dbraw/zinc/78/77/30/571787730.db2.gz GORJQLGRSWQMDM-VIFPVBQESA-N 0 0 169.268 2.740 10 30 AFEERN CC1=CC(=O)CC(C)(C)CC1 140183123 571787953 /nfs/dbraw/zinc/78/79/53/571787953.db2.gz OYEFOFOPQJHYMH-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)C[C@H](C#N)OC(C)(C)C 143119303 571788137 /nfs/dbraw/zinc/78/81/37/571788137.db2.gz GORJQLGRSWQMDM-SECBINFHSA-N 0 0 169.268 2.740 10 30 AFEERN C=C[C@H](C)C(=O)c1ccc(F)cc1 140189923 571788481 /nfs/dbraw/zinc/78/84/81/571788481.db2.gz UNSZYLVFLGTUHI-QMMMGPOBSA-N 0 0 178.206 2.831 10 30 AFEERN O=C1C=C([C@H]2C=CCC2)CCC1 140199169 571788763 /nfs/dbraw/zinc/78/87/63/571788763.db2.gz QYRBLISIMPGYSW-VIFPVBQESA-N 0 0 162.232 2.632 10 30 AFEERN CCC(=CC(=O)C(C)C)CC 2005918 571789231 /nfs/dbraw/zinc/78/92/31/571789231.db2.gz UVQXYCRUJXLCFT-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(C)C(Cl)(Cl)Cl 2037628 571789449 /nfs/dbraw/zinc/78/94/49/571789449.db2.gz AIZNASPCDNJRSP-UHFFFAOYSA-N 0 0 159.443 2.933 10 30 AFEERN C#CC[C@H]1CCCC[C@@]1(O)CC=C 204870227 571789617 /nfs/dbraw/zinc/78/96/17/571789617.db2.gz LPXLWDBPWQMJHE-RYUDHWBXSA-N 0 0 178.275 2.507 10 30 AFEERN O=C1C=C([C@@H]2C=CCC2)CCC1 140199345 571789738 /nfs/dbraw/zinc/78/97/38/571789738.db2.gz QYRBLISIMPGYSW-SECBINFHSA-N 0 0 162.232 2.632 10 30 AFEERN C[C@]12C=CC(=O)C=C1CCCC2 2033444 571789823 /nfs/dbraw/zinc/78/98/23/571789823.db2.gz HDLROIOWMZBQCS-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN C=C(C)[C@@]1(C)CCCC[C@H]1O 2007906 571789863 /nfs/dbraw/zinc/78/98/63/571789863.db2.gz WRXDJPNAQJMNGJ-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN CCCCC[C@H](C)C#N 2003249 571789984 /nfs/dbraw/zinc/78/99/84/571789984.db2.gz DPGVNSDPGIWYQK-QMMMGPOBSA-N 0 0 125.215 2.726 10 30 AFEERN C=CCCC/C=C/COCC[C@@H](C)O 39249271 571790008 /nfs/dbraw/zinc/79/00/08/571790008.db2.gz ZQDFKZAGGHSIOE-ABZNLYFFSA-N 0 0 198.306 2.686 10 30 AFEERN CCCCC[C@@H](C)C#N 2003246 571790475 /nfs/dbraw/zinc/79/04/75/571790475.db2.gz DPGVNSDPGIWYQK-MRVPVSSYSA-N 0 0 125.215 2.726 10 30 AFEERN O=C[C@@H]1Cc2cccc3cccc1c23 37633838 571790520 /nfs/dbraw/zinc/79/05/20/571790520.db2.gz VJMHQCJVHWWMHZ-NSHDSACASA-N 0 0 182.222 2.678 10 30 AFEERN C=CCC(C=O)(CC)CC=C 37631548 571790573 /nfs/dbraw/zinc/79/05/73/571790573.db2.gz ZYSIWYYCTYSDAJ-UHFFFAOYSA-N 0 0 152.237 2.734 10 30 AFEERN CCCC/C=C/CCC=O 2038734 571790888 /nfs/dbraw/zinc/79/08/88/571790888.db2.gz QPULDJYQYDGZEI-AATRIKPKSA-N 0 0 140.226 2.712 10 30 endogenous,in-man AFEERN C=CC(=O)Cc1c(C)ccc(C)c1C 2003031 571790955 /nfs/dbraw/zinc/79/09/55/571790955.db2.gz KBGDCKHDBZJUKE-UHFFFAOYSA-N 0 0 188.270 2.909 10 30 in-man AFEERN C=CCc1ccc2cc[nH]c2c1 140152137 571791008 /nfs/dbraw/zinc/79/10/08/571791008.db2.gz BHVKRUZGRCNVDS-UHFFFAOYSA-N 0 0 157.216 2.896 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1CCO 220715326 571791153 /nfs/dbraw/zinc/79/11/53/571791153.db2.gz OCAQFCVUCXXWGC-TUAOUCFPSA-N 0 0 182.307 2.997 10 30 AFEERN O=C[C@H]1Cc2cccc3cccc1c23 37633836 571791664 /nfs/dbraw/zinc/79/16/64/571791664.db2.gz VJMHQCJVHWWMHZ-LLVKDONJSA-N 0 0 182.222 2.678 10 30 AFEERN CCCCN([C@H](C)C#N)[C@H](C)CC 249791818 571792125 /nfs/dbraw/zinc/79/21/25/571792125.db2.gz KCFOKLRCZTUJQZ-GHMZBOCLSA-N 0 0 182.311 2.799 10 30 AFEERN CC[C@H](CC#N)SC(C)C 37685657 571795434 /nfs/dbraw/zinc/79/54/34/571795434.db2.gz FFHDLKAGQYPZNO-MRVPVSSYSA-N 0 0 157.282 2.820 10 30 AFEERN c1ccc(C2([C@H]3CO3)CCCC2)cc1 116861763 571792672 /nfs/dbraw/zinc/79/26/72/571792672.db2.gz FUMHHLYNYHOALA-GFCCVEGCSA-N 0 0 188.270 2.897 10 30 AFEERN c1ccc(C2([C@@H]3CO3)CCCC2)cc1 116861762 571793274 /nfs/dbraw/zinc/79/32/74/571793274.db2.gz FUMHHLYNYHOALA-LBPRGKRZSA-N 0 0 188.270 2.897 10 30 AFEERN C=C(CCCCC)C(=O)OCC 113690869 571795375 /nfs/dbraw/zinc/79/53/75/571795375.db2.gz SSLYYFPZACMJFH-UHFFFAOYSA-N 0 0 170.252 2.686 10 30 AFEERN O=C(C1=C(O)CCCC1)C(F)(F)F 2045668 571794446 /nfs/dbraw/zinc/79/44/46/571794446.db2.gz XAMHBSVSKQLIHL-UHFFFAOYSA-N 0 0 194.152 2.504 10 30 AFEERN C=CCCC[C@@]1(O)COC[C@H]1CCC 710873867 571799621 /nfs/dbraw/zinc/79/96/21/571799621.db2.gz LPNHGVOONGBLAF-VXGBXAGGSA-N 0 0 198.306 2.520 10 30 AFEERN CC[C@@H](C)Oc1ccc(F)c(C#N)c1 116878569 571795038 /nfs/dbraw/zinc/79/50/38/571795038.db2.gz LQPZEGZKINXGNC-MRVPVSSYSA-N 0 0 193.221 2.875 10 30 AFEERN CC[C@H](C)Oc1ccc(F)c(C#N)c1 116878572 571795230 /nfs/dbraw/zinc/79/52/30/571795230.db2.gz LQPZEGZKINXGNC-QMMMGPOBSA-N 0 0 193.221 2.875 10 30 AFEERN CC[C@@H](CC#N)SC(C)C 37685655 571796051 /nfs/dbraw/zinc/79/60/51/571796051.db2.gz FFHDLKAGQYPZNO-QMMMGPOBSA-N 0 0 157.282 2.820 10 30 AFEERN CCCCCNC1(C#N)CCCC1 20177871 571796534 /nfs/dbraw/zinc/79/65/34/571796534.db2.gz PEQOTCOGFPTTKG-UHFFFAOYSA-N 0 0 180.295 2.603 10 30 AFEERN Cc1ccc(N[C@@](C)(C#N)CF)cc1 116936314 571796880 /nfs/dbraw/zinc/79/68/80/571796880.db2.gz UMUFIUKLJSETEK-LLVKDONJSA-N 0 0 192.237 2.659 10 30 AFEERN Cc1cc(C(C)C)ccc1CC=O 116894373 571796952 /nfs/dbraw/zinc/79/69/52/571796952.db2.gz MKIOXKWCKBHPRK-UHFFFAOYSA-N 0 0 176.259 2.860 10 30 AFEERN CC(C)CCNC1(C#N)CCCCC1 20177960 571797023 /nfs/dbraw/zinc/79/70/23/571797023.db2.gz LYNKGKMJSWIMIX-UHFFFAOYSA-N 0 0 194.322 2.849 10 30 AFEERN C=CCC[C@](C)(O)CCC1CC1 235724167 571797637 /nfs/dbraw/zinc/79/76/37/571797637.db2.gz REPHYFHXCFAKGT-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN CC[C@H](C)[C@@](C)(C#N)N1CCCCC1 37745435 571797803 /nfs/dbraw/zinc/79/78/03/571797803.db2.gz JJTLSXTWANDJSE-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC=O 39277882 571797882 /nfs/dbraw/zinc/79/78/82/571797882.db2.gz HMKVDFLBZALYJQ-IJLUTSLNSA-N 0 0 198.306 2.663 10 30 AFEERN CCCCCNC1(C#N)CCCCC1 20177962 571797971 /nfs/dbraw/zinc/79/79/71/571797971.db2.gz ZNLUGLROVGKWRL-UHFFFAOYSA-N 0 0 194.322 2.993 10 30 AFEERN Cc1ccc(N[C@](C)(C#N)CF)cc1 116936312 571798072 /nfs/dbraw/zinc/79/80/72/571798072.db2.gz UMUFIUKLJSETEK-NSHDSACASA-N 0 0 192.237 2.659 10 30 AFEERN C[C@@H](O)CCCCCCCCC=O 39269166 571798137 /nfs/dbraw/zinc/79/81/37/571798137.db2.gz GKSDPBQHLXPSBV-LLVKDONJSA-N 0 0 186.295 2.687 10 30 AFEERN C=CCC(O)(/C=C/CC)CC=C 113688558 571798263 /nfs/dbraw/zinc/79/82/63/571798263.db2.gz ULNDHOXQLKEZNZ-JXMROGBWSA-N 0 0 166.264 2.836 10 30 AFEERN CC[C@@H](C)[C@@](C)(C#N)N1CCCCC1 37745434 571798597 /nfs/dbraw/zinc/79/85/97/571798597.db2.gz JJTLSXTWANDJSE-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN C=CCCC[C@]1(O)COC[C@@H]1CCC 710873864 571798816 /nfs/dbraw/zinc/79/88/16/571798816.db2.gz LPNHGVOONGBLAF-RYUDHWBXSA-N 0 0 198.306 2.520 10 30 AFEERN C=CCCC[C@H]1CCC(=O)[C@H]1C 84870076 571798985 /nfs/dbraw/zinc/79/89/85/571798985.db2.gz BVIGGAUPEWKVSF-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCC[C@H]1CCC(=O)[C@@H]1C 84870075 571799437 /nfs/dbraw/zinc/79/94/37/571799437.db2.gz BVIGGAUPEWKVSF-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C)[C@](C)(C#N)N1CCCCC1 37745437 571799485 /nfs/dbraw/zinc/79/94/85/571799485.db2.gz JJTLSXTWANDJSE-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN C=CCCC[C@@]1(O)COC[C@@H]1CCC 710873862 571799557 /nfs/dbraw/zinc/79/95/57/571799557.db2.gz LPNHGVOONGBLAF-NWDGAFQWSA-N 0 0 198.306 2.520 10 30 AFEERN C=CCCC[C@@H]1CCC(=O)[C@H]1C 84870074 571799722 /nfs/dbraw/zinc/79/97/22/571799722.db2.gz BVIGGAUPEWKVSF-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(C#N)ccc1N(C)C(C)C 37732841 571800065 /nfs/dbraw/zinc/80/00/65/571800065.db2.gz RGDSMBIGWAOYNN-UHFFFAOYSA-N 0 0 188.274 2.711 10 30 AFEERN CC[C@@H](C)[C@](C)(C#N)N1CCCCC1 37745436 571800069 /nfs/dbraw/zinc/80/00/69/571800069.db2.gz JJTLSXTWANDJSE-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN Cc1ccc2c(c1)[C@@H](C#N)SCC2 2578752 571800612 /nfs/dbraw/zinc/80/06/12/571800612.db2.gz WSUJDCRAJCUTRC-LLVKDONJSA-N 0 0 189.283 2.849 10 30 AFEERN CC/C=C1\CC[C@@H](C)CC1=O 39271722 571801094 /nfs/dbraw/zinc/80/10/94/571801094.db2.gz JBZCLTCZMKROEI-SXPLAPADSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC=O 39277884 571801477 /nfs/dbraw/zinc/80/14/77/571801477.db2.gz HMKVDFLBZALYJQ-GRYCIOLGSA-N 0 0 198.306 2.663 10 30 AFEERN CCCCCCCP 2577209 571801740 /nfs/dbraw/zinc/80/17/40/571801740.db2.gz SCCLFGAYCGKMEI-UHFFFAOYSA-N 0 0 132.187 2.832 10 30 AFEERN C=C1CC[C@H]2CCC(=O)[C@]2(C)C1 221086547 571802096 /nfs/dbraw/zinc/80/20/96/571802096.db2.gz VRNXTOPDVSRWBJ-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CC[C@@H]2CCC(=O)[C@@]2(C)C1 221086489 571802699 /nfs/dbraw/zinc/80/26/99/571802699.db2.gz VRNXTOPDVSRWBJ-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCC(=O)C(=C)C(C)C 21996726 571802825 /nfs/dbraw/zinc/80/28/25/571802825.db2.gz FWINFCXPQZEQBU-UHFFFAOYSA-N 0 0 152.237 2.734 10 30 AFEERN C=C1CC[C@H]2CCC(=O)[C@@]2(C)C1 221086612 571803487 /nfs/dbraw/zinc/80/34/87/571803487.db2.gz VRNXTOPDVSRWBJ-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cc2c(s1)CCC/C2=N\O 20847977 571803663 /nfs/dbraw/zinc/80/36/63/571803663.db2.gz WOBGTHDZWZGTLH-CSKARUKUSA-N 0 0 181.260 2.571 10 30 AFEERN C[C@](N)(C#N)c1cccc2ccccc12 22209487 571806233 /nfs/dbraw/zinc/80/62/33/571806233.db2.gz OCPOZASYXXTZSU-ZDUSSCGKSA-N 0 0 196.253 2.537 10 30 AFEERN C=CCCCC(=O)c1ccnc(C)c1 235740545 571804804 /nfs/dbraw/zinc/80/48/04/571804804.db2.gz IETQNMSOOSQEQF-UHFFFAOYSA-N 0 0 189.258 2.929 10 30 AFEERN N#CCCCCCc1cccnc1 39335652 571805663 /nfs/dbraw/zinc/80/56/63/571805663.db2.gz BDWLCDCPUURZCF-UHFFFAOYSA-N 0 0 174.247 2.708 10 30 AFEERN C=CCCC(=O)c1ccnc(C)c1 235740331 571806529 /nfs/dbraw/zinc/80/65/29/571806529.db2.gz PTRQJWYBZDOCEH-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN COc1ccc(-c2cc(C#N)c[nH]2)cc1 113286871 571807187 /nfs/dbraw/zinc/80/71/87/571807187.db2.gz SAOMNMSOWGLMBK-UHFFFAOYSA-N 0 0 198.225 2.562 10 30 AFEERN CCCCCC[C@@H](C#N)NC(C)C 34973792 571807424 /nfs/dbraw/zinc/80/74/24/571807424.db2.gz GZSNJASVNAWWGW-NSHDSACASA-N 0 0 182.311 2.847 10 30 AFEERN C=C[C@@H](C)Sc1ccc(CO)cc1 160473457 571807514 /nfs/dbraw/zinc/80/75/14/571807514.db2.gz OQYVKIQWIVJQFX-SECBINFHSA-N 0 0 194.299 2.846 10 30 AFEERN CC(C)CC[C@@](C)(C#N)NC(C)C 34973811 571808016 /nfs/dbraw/zinc/80/80/16/571808016.db2.gz YJCPLGAUGGLTFQ-NSHDSACASA-N 0 0 182.311 2.703 10 30 AFEERN CCCCCC[C@H](C#N)NC(C)C 34973794 571808323 /nfs/dbraw/zinc/80/83/23/571808323.db2.gz GZSNJASVNAWWGW-LLVKDONJSA-N 0 0 182.311 2.847 10 30 AFEERN CC[C@H](C#N)N(C)[C@H](C)C(C)(C)C 251266311 571810102 /nfs/dbraw/zinc/81/01/02/571810102.db2.gz ZVABANDMHFBFPA-NXEZZACHSA-N 0 0 182.311 2.655 10 30 AFEERN CC[C@H](C#N)OC[C@@H]1CC=CC[C@H]1C 251203965 571808333 /nfs/dbraw/zinc/80/83/33/571808333.db2.gz HRGQQODMVOCYPT-GRYCIOLGSA-N 0 0 193.290 2.907 10 30 AFEERN CC(C)CC[C@](C)(C#N)NC(C)C 34973813 571809294 /nfs/dbraw/zinc/80/92/94/571809294.db2.gz YJCPLGAUGGLTFQ-LLVKDONJSA-N 0 0 182.311 2.703 10 30 AFEERN CC[C@H](C#N)NC[C@H]1CCCC[C@H]1C 251231540 571810455 /nfs/dbraw/zinc/81/04/55/571810455.db2.gz QIAKKOCUHGAGBH-IJLUTSLNSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@H](C#N)NC[C@@H]1CCCC[C@H]1C 251231536 571811011 /nfs/dbraw/zinc/81/10/11/571811011.db2.gz QIAKKOCUHGAGBH-GRYCIOLGSA-N 0 0 194.322 2.704 10 30 AFEERN CC1=CC[C@H](C=O)C(C)(C)C1 3604358 571811074 /nfs/dbraw/zinc/81/10/74/571811074.db2.gz PEJDZTZLIFVHJT-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@@H](C#N)N(C)[C@H](C)CC(C)C 251198076 571811685 /nfs/dbraw/zinc/81/16/85/571811685.db2.gz FOFZJLCPHWIFRP-MNOVXSKESA-N 0 0 182.311 2.655 10 30 AFEERN CC[C@H](C#N)N(C)[C@H](C)CC(C)C 251198074 571812168 /nfs/dbraw/zinc/81/21/68/571812168.db2.gz FOFZJLCPHWIFRP-GHMZBOCLSA-N 0 0 182.311 2.655 10 30 AFEERN Cc1nsc2cc(CC#N)ccc12 214526434 571812389 /nfs/dbraw/zinc/81/23/89/571812389.db2.gz ZQYVMBBTUNHCTR-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN Cc1nsc2cccc(CC#N)c12 214526349 571812561 /nfs/dbraw/zinc/81/25/61/571812561.db2.gz RRKMGUUNJINHGV-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN CC[C@H](C#N)OC[C@H]1CC=CC[C@H]1C 251203969 571812602 /nfs/dbraw/zinc/81/26/02/571812602.db2.gz HRGQQODMVOCYPT-IJLUTSLNSA-N 0 0 193.290 2.907 10 30 AFEERN CCOc1ccc(/C=C\C(C)=O)cc1 35085742 571812647 /nfs/dbraw/zinc/81/26/47/571812647.db2.gz FTVJHMDYEKFKAZ-PLNGDYQASA-N 0 0 190.242 2.688 10 30 AFEERN Cc1[nH]c2c(c1CCC#N)CCCC2 214529819 571812817 /nfs/dbraw/zinc/81/28/17/571812817.db2.gz KDUZLZJYWAHIDS-UHFFFAOYSA-N 0 0 188.274 2.658 10 30 AFEERN CCC[C@H](C)[C@H](C#N)N[C@H](C)CC 251390005 571813198 /nfs/dbraw/zinc/81/31/98/571813198.db2.gz XVVOPSAKSYDDPS-AXFHLTTASA-N 0 0 182.311 2.703 10 30 AFEERN Cc1nsc2ccc(CC#N)cc12 214526509 571813475 /nfs/dbraw/zinc/81/34/75/571813475.db2.gz WRHSZJXDAUUOIM-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN CC1=CC[C@@H](C=O)C(C)(C)C1 3604357 571813790 /nfs/dbraw/zinc/81/37/90/571813790.db2.gz PEJDZTZLIFVHJT-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN Cc1[nH]c2c(c1[C@H](C)C#N)CCCC2 214529739 571814204 /nfs/dbraw/zinc/81/42/04/571814204.db2.gz ZRFZXUXGIJNSFJ-MRVPVSSYSA-N 0 0 188.274 2.829 10 30 AFEERN Cc1[nH]c2c(c1C(C)(C)C#N)CCC2 214529521 571814280 /nfs/dbraw/zinc/81/42/80/571814280.db2.gz HNJPIYJUCRUXJA-UHFFFAOYSA-N 0 0 188.274 2.613 10 30 AFEERN Cc1[nH]c2c(c1[C@@H](C)C#N)CCCC2 214529682 571814303 /nfs/dbraw/zinc/81/43/03/571814303.db2.gz ZRFZXUXGIJNSFJ-QMMMGPOBSA-N 0 0 188.274 2.829 10 30 AFEERN CC(C)CN[C@]1(C#N)CCCC[C@H]1C 37939115 571814316 /nfs/dbraw/zinc/81/43/16/571814316.db2.gz SSMDGRISOBKBPC-NEPJUHHUSA-N 0 0 194.322 2.704 10 30 AFEERN CCN(CC)c1ccccc1CC#N 214529370 571814348 /nfs/dbraw/zinc/81/43/48/571814348.db2.gz HXTKVTIFGUBDJB-UHFFFAOYSA-N 0 0 188.274 2.599 10 30 AFEERN CC(C)CN[C@@]1(C#N)CCCC[C@H]1C 37939117 571814810 /nfs/dbraw/zinc/81/48/10/571814810.db2.gz SSMDGRISOBKBPC-VXGBXAGGSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)=C[C@@H](C)[C@H](C)CC=O 3881864 571814874 /nfs/dbraw/zinc/81/48/74/571814874.db2.gz DUPKJPHZDWTPOJ-NXEZZACHSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)=C[C@H](C)[C@H](C)CC=O 3881862 571817372 /nfs/dbraw/zinc/81/73/72/571817372.db2.gz DUPKJPHZDWTPOJ-ZJUUUORDSA-N 0 0 154.253 2.814 10 30 AFEERN CCC[C@H](C)[C@@H](C#N)N[C@H](C)CC 251390008 571815544 /nfs/dbraw/zinc/81/55/44/571815544.db2.gz XVVOPSAKSYDDPS-HBNTYKKESA-N 0 0 182.311 2.703 10 30 AFEERN CC(C)=C[C@@H](C)[C@@H](C)CC=O 3881863 571817245 /nfs/dbraw/zinc/81/72/45/571817245.db2.gz DUPKJPHZDWTPOJ-VHSXEESVSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)CN[C@@]1(C#N)CCCC[C@@H]1C 37939118 571817301 /nfs/dbraw/zinc/81/73/01/571817301.db2.gz SSMDGRISOBKBPC-NWDGAFQWSA-N 0 0 194.322 2.704 10 30 AFEERN CN(C1CCCCC1)C1(C#N)CCC1 687802150 571817511 /nfs/dbraw/zinc/81/75/11/571817511.db2.gz INWXXVZTHSQGJG-UHFFFAOYSA-N 0 0 192.306 2.697 10 30 AFEERN C=CCC(=O)c1ccc(OC)cc1F 75121410 571817904 /nfs/dbraw/zinc/81/79/04/571817904.db2.gz RBCSJSCISYBTBN-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN CC(C)CNC1(C#N)CCCCCC1 37939179 571817926 /nfs/dbraw/zinc/81/79/26/571817926.db2.gz DMLQEHFGJNACSZ-UHFFFAOYSA-N 0 0 194.322 2.849 10 30 AFEERN CC(=O)C=C(C)Nc1cccc(F)c1 110474853 571817955 /nfs/dbraw/zinc/81/79/55/571817955.db2.gz XMSPEJYGXPCRSC-SOFGYWHQSA-N 0 0 193.221 2.730 10 30 AFEERN CC(C)=C[C@H](C)[C@@H](C)CC=O 3881861 571818029 /nfs/dbraw/zinc/81/80/29/571818029.db2.gz DUPKJPHZDWTPOJ-UWVGGRQHSA-N 0 0 154.253 2.814 10 30 AFEERN C=CCCC[C@H](O)c1ccnc(C)c1 235749848 571821653 /nfs/dbraw/zinc/82/16/53/571821653.db2.gz FLKGGSMEVKQNNS-LBPRGKRZSA-N 0 0 191.274 2.780 10 30 AFEERN C=C[C@H](C)C(C=O)(CC)CC 75541939 571819325 /nfs/dbraw/zinc/81/93/25/571819325.db2.gz JRCNJOZLMJAWCV-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN C#CCn1ccc2cc(OCC)ccc21 75232587 571819719 /nfs/dbraw/zinc/81/97/19/571819719.db2.gz MOHVENVDSAGFJD-UHFFFAOYSA-N 0 0 199.253 2.673 10 30 AFEERN COCCC(=O)C1=CCCCCCC1 234619709 571819770 /nfs/dbraw/zinc/81/97/70/571819770.db2.gz ZFAJQLXMCLIJRY-UHFFFAOYSA-N 0 0 196.290 2.873 10 30 AFEERN COC(C)(C)CCOCCCCC#N 234617657 571820308 /nfs/dbraw/zinc/82/03/08/571820308.db2.gz VIQBXICYMXXTMS-UHFFFAOYSA-N 0 0 199.294 2.512 10 30 AFEERN C=C(C)[C@@H](O)/C=C\c1ccc(C)cc1 214539802 571820881 /nfs/dbraw/zinc/82/08/81/571820881.db2.gz WEVCHXQJLPJWKZ-YXVBKTCISA-N 0 0 188.270 2.945 10 30 AFEERN C=CCSCc1ccc(C=O)o1 75576023 571821088 /nfs/dbraw/zinc/82/10/88/571821088.db2.gz OTLLQXAZMKHJOC-UHFFFAOYSA-N 0 0 182.244 2.511 10 30 AFEERN C=C(C)[C@H](O)/C=C\c1ccc(C)cc1 214539852 571821164 /nfs/dbraw/zinc/82/11/64/571821164.db2.gz WEVCHXQJLPJWKZ-LJTDUEICSA-N 0 0 188.270 2.945 10 30 AFEERN C=CCCCCCC(=O)CCOC 234620423 571821668 /nfs/dbraw/zinc/82/16/68/571821668.db2.gz PZAGUBMHKMVPAC-UHFFFAOYSA-N 0 0 184.279 2.729 10 30 AFEERN C=CC[C@H](O)CC#CCCCCC 39399953 571822001 /nfs/dbraw/zinc/82/20/01/571822001.db2.gz RAFUIIUDTBWDBS-LBPRGKRZSA-N 0 0 180.291 2.897 10 30 AFEERN C=C(C)CSc1nnc(C(C)C)[nH]1 75312931 571822407 /nfs/dbraw/zinc/82/24/07/571822407.db2.gz KTWAAVXWNKMCSB-UHFFFAOYSA-N 0 0 197.307 2.596 10 30 AFEERN CCC(C#N)(CC)NC1CCCCC1 37969454 571822449 /nfs/dbraw/zinc/82/24/49/571822449.db2.gz FSWBHHLFDHHMII-UHFFFAOYSA-N 0 0 194.322 2.991 10 30 AFEERN CCCC/C=C\[C@H](C)CC=O 206717830 571822729 /nfs/dbraw/zinc/82/27/29/571822729.db2.gz ZPHNIPJSRUBRFV-GFVADAIESA-N 0 0 154.253 2.958 10 30 AFEERN CC(C)SC/C=C\CS 211702079 571823148 /nfs/dbraw/zinc/82/31/48/571823148.db2.gz DPQYCXMEPSNJBI-ARJAWSKDSA-N 0 0 162.323 2.614 10 30 AFEERN CCC(=CC(=O)C(F)F)CC 686224718 571824105 /nfs/dbraw/zinc/82/41/05/571824105.db2.gz OUGIWDQRLSVZNH-UHFFFAOYSA-N 0 0 162.179 2.567 10 30 AFEERN C[C@@H]1CC=C(C(=O)C(F)F)CC1 686224717 571825425 /nfs/dbraw/zinc/82/54/25/571825425.db2.gz MLQNDADWCUONTK-ZCFIWIBFSA-N 0 0 174.190 2.567 10 30 AFEERN C[C@H]1CC=C(C(=O)C(F)F)CC1 686224715 571825637 /nfs/dbraw/zinc/82/56/37/571825637.db2.gz MLQNDADWCUONTK-LURJTMIESA-N 0 0 174.190 2.567 10 30 AFEERN C[C@@H](CC[C@@H]1CO1)c1ccccc1 39617131 571826695 /nfs/dbraw/zinc/82/66/95/571826695.db2.gz VXFWYRDQOPVHKT-CMPLNLGQSA-N 0 0 176.259 2.969 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CCCC[C@H]1CC 251838132 571826911 /nfs/dbraw/zinc/82/69/11/571826911.db2.gz QNTAVMLUVFHBLY-IJLUTSLNSA-N 0 0 194.322 2.847 10 30 AFEERN C[C@H](CC[C@H]1CO1)c1ccccc1 39617134 571827185 /nfs/dbraw/zinc/82/71/85/571827185.db2.gz VXFWYRDQOPVHKT-PWSUYJOCSA-N 0 0 176.259 2.969 10 30 AFEERN CC[C@H](C#N)N[C@H]1CCCC[C@H]1CC 251838134 571827560 /nfs/dbraw/zinc/82/75/60/571827560.db2.gz QNTAVMLUVFHBLY-UTUOFQBUSA-N 0 0 194.322 2.847 10 30 AFEERN CCCCC(C)(C)C(O)=CC=O 207968414 571829070 /nfs/dbraw/zinc/82/90/70/571829070.db2.gz CIYSJQLOFVDYBZ-VURMDHGXSA-N 0 0 170.252 2.844 10 30 AFEERN C=C(C)CC[C@H](O)CC1(OC)CCC1 234629003 571829112 /nfs/dbraw/zinc/82/91/12/571829112.db2.gz YXZCNEKJXJHYTL-NSHDSACASA-N 0 0 198.306 2.663 10 30 AFEERN CC(C)C[C@H](C#N)N1CCCCCC1 38086217 571829617 /nfs/dbraw/zinc/82/96/17/571829617.db2.gz XYWRJUNMAZDCLO-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN C=C[C@H](C)CCC/C=C\CO 207469395 571829719 /nfs/dbraw/zinc/82/97/19/571829719.db2.gz APMFVYPUYDDDRZ-BXKUYDPTSA-N 0 0 154.253 2.527 10 30 AFEERN C[C@]12CCCC[C@H]1CC(O)=C(C=O)C2 5012845 571833242 /nfs/dbraw/zinc/83/32/42/571833242.db2.gz AHRBORAAIDVCIR-PQHJVFTLSA-N 0 0 194.274 2.988 10 30 AFEERN C=CCCC[C@H](O)CC1(OC)CCC1 234629343 571829906 /nfs/dbraw/zinc/82/99/06/571829906.db2.gz QICNXRDXHAEKCH-NSHDSACASA-N 0 0 198.306 2.663 10 30 AFEERN C=C[C@H](C)[C@H](O)/C=C\CCC 207927851 571830016 /nfs/dbraw/zinc/83/00/16/571830016.db2.gz XRKYXUAJVIKWKG-ZTXJHGQBSA-N 0 0 154.253 2.526 10 30 AFEERN C#CC(C)(C)Nc1cc(C)ccc1C#N 78474679 571830296 /nfs/dbraw/zinc/83/02/96/571830296.db2.gz YQTCLGAFXLCPEH-UHFFFAOYSA-N 0 0 198.269 2.690 10 30 AFEERN C=C(C)CC[C@@H](O)CC1(OC)CCC1 234632113 571830946 /nfs/dbraw/zinc/83/09/46/571830946.db2.gz YXZCNEKJXJHYTL-LLVKDONJSA-N 0 0 198.306 2.663 10 30 AFEERN C=CCCC[C@@H](O)CC1(OC)CCC1 234632355 571833388 /nfs/dbraw/zinc/83/33/88/571833388.db2.gz QICNXRDXHAEKCH-LLVKDONJSA-N 0 0 198.306 2.663 10 30 AFEERN C[C@@H]1C(=O)C=C[C@@]2(C)CCCC[C@H]12 5081135 571833401 /nfs/dbraw/zinc/83/34/01/571833401.db2.gz AXROIMSDXXLWMB-HOSYDEDBSA-N 0 0 178.275 2.958 10 30 AFEERN O/N=C1/CCCCCC[C@H]1Cl 5133671 571831667 /nfs/dbraw/zinc/83/16/67/571831667.db2.gz CLUUAPBIIZAOJL-JAGWFPCYSA-N 0 0 175.659 2.778 10 30 AFEERN C[C@@]12CCCC[C@H]1CC(O)=C(C=O)C2 5012843 571831971 /nfs/dbraw/zinc/83/19/71/571831971.db2.gz AHRBORAAIDVCIR-JDQIMWGRSA-N 0 0 194.274 2.988 10 30 AFEERN C[C@@]12CCCC[C@@H]1C=CC(=O)C2 5082221 571832011 /nfs/dbraw/zinc/83/20/11/571832011.db2.gz OCFLXMFTRFJPHW-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1C(=O)C=C[C@@]2(C)CCCC[C@H]12 5081134 571832239 /nfs/dbraw/zinc/83/22/39/571832239.db2.gz AXROIMSDXXLWMB-CKYFFXLPSA-N 0 0 178.275 2.958 10 30 AFEERN FC(F)(F)C(F)(F)CCS 5113768 571832312 /nfs/dbraw/zinc/83/23/12/571832312.db2.gz WEILNYJKAUGBAU-UHFFFAOYSA-N 0 0 180.141 2.504 10 30 AFEERN C[C@]12CCCC[C@H]1C=CC(=O)C2 5082223 571832448 /nfs/dbraw/zinc/83/24/48/571832448.db2.gz OCFLXMFTRFJPHW-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN O/N=C1/CCCCCC[C@@H]1Cl 5133672 571832859 /nfs/dbraw/zinc/83/28/59/571832859.db2.gz CLUUAPBIIZAOJL-SGXDDJEGSA-N 0 0 175.659 2.778 10 30 AFEERN C[C@@H]1C(=O)C=C[C@@]2(C)CCCC[C@@H]12 5081133 571833091 /nfs/dbraw/zinc/83/30/91/571833091.db2.gz AXROIMSDXXLWMB-JBLDHEPKSA-N 0 0 178.275 2.958 10 30 AFEERN C1CC[C@@H]2C[C@]3(CC[C@@H]2C1)CO3 5133948 571833613 /nfs/dbraw/zinc/83/36/13/571833613.db2.gz FPFVZIDENANHLL-HBNTYKKESA-N 0 0 166.264 2.746 10 30 AFEERN CN(CCC1CC1)C1(C#N)CCCC1 687803185 571834291 /nfs/dbraw/zinc/83/42/91/571834291.db2.gz CTOWJXCOLYNURZ-UHFFFAOYSA-N 0 0 192.306 2.555 10 30 AFEERN C=CCC(C(=O)OCC)=C(C)N=[N+]=[N-] 35244485 571834799 /nfs/dbraw/zinc/83/47/99/571834799.db2.gz KWRWNOZRSVNCBV-FPLPWBNLSA-N 0 0 195.222 2.710 10 30 AFEERN CCC(CC)(CS)CS 5307569 571834942 /nfs/dbraw/zinc/83/49/42/571834942.db2.gz AMWSBNKJHQZXID-UHFFFAOYSA-N 0 0 164.339 2.652 10 30 AFEERN CCCCOCCC(=O)C=C(C)C 5298327 571834949 /nfs/dbraw/zinc/83/49/49/571834949.db2.gz SZWFFRYNLGDAPD-UHFFFAOYSA-N 0 0 184.279 2.729 10 30 AFEERN CC(C)C1=CC[C@H](CC=O)C1 206383060 571837799 /nfs/dbraw/zinc/83/77/99/571837799.db2.gz YHGKYHVLZMDKHS-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1CC=CC2=CC(=O)CC[C@@]21C 38220564 571837800 /nfs/dbraw/zinc/83/78/00/571837800.db2.gz JJAXFFQAVKIBRO-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCCNc1c(C)cccc1C#N 221107203 571835184 /nfs/dbraw/zinc/83/51/84/571835184.db2.gz YEMZJIPZAUAZII-UHFFFAOYSA-N 0 0 186.258 2.855 10 30 AFEERN C=CCCCC(=O)C1CCC1 84888085 571835273 /nfs/dbraw/zinc/83/52/73/571835273.db2.gz DXFQTRGQDXHAIS-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)C1=C[C@@H](CC=O)CC1 206383173 571835520 /nfs/dbraw/zinc/83/55/20/571835520.db2.gz OAAJNJWWGFWHND-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CCC[C@@H](C)CC1 233900925 571837835 /nfs/dbraw/zinc/83/78/35/571837835.db2.gz HMZPRYUYWVMAAV-IJLUTSLNSA-N 0 0 194.322 2.847 10 30 AFEERN CC(=O)/C=C\Sc1ccccc1 5283363 571835605 /nfs/dbraw/zinc/83/56/05/571835605.db2.gz IUDATFOKAOFQMH-FPLPWBNLSA-N 0 0 178.256 2.881 10 30 AFEERN CC(C)(S)CNc1ccccc1 5138197 571835882 /nfs/dbraw/zinc/83/58/82/571835882.db2.gz ZVYNGWGESDJLPW-UHFFFAOYSA-N 0 0 181.304 2.807 10 30 AFEERN C(=C\CC1CC1)\CC[C@H]1CO1 143644572 571836048 /nfs/dbraw/zinc/83/60/48/571836048.db2.gz XELATYAHSOHVGR-SYBPUXJVSA-N 0 0 152.237 2.522 10 30 AFEERN CC(C)=CCCC(C)(C)C=O 5158672 571836049 /nfs/dbraw/zinc/83/60/49/571836049.db2.gz IHUYETNQLCGWSV-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN CC(C)C1=C[C@H](CC=O)CC1 206383141 571836158 /nfs/dbraw/zinc/83/61/58/571836158.db2.gz OAAJNJWWGFWHND-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CC[C@H](C(C)(C)F)CC1=O 38234304 571836391 /nfs/dbraw/zinc/83/63/91/571836391.db2.gz KSWZYYAATMDVCN-QMMMGPOBSA-N 0 0 170.227 2.660 10 30 AFEERN O=CCCCC1SCCCS1 38220811 571836773 /nfs/dbraw/zinc/83/67/73/571836773.db2.gz YBYUKBSXQLUQBR-UHFFFAOYSA-N 0 0 190.333 2.552 10 30 AFEERN CC1=C(C(C)(C)C)CCC1=O 38220275 571836977 /nfs/dbraw/zinc/83/69/77/571836977.db2.gz FFFSXTZEQAFWGM-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@@]12CCCC1=C[C@@H](O)CC2 38212638 571837367 /nfs/dbraw/zinc/83/73/67/571837367.db2.gz ZYJASWRQSBFVST-RYUDHWBXSA-N 0 0 178.275 2.814 10 30 AFEERN C=C[C@H](C)Nc1c(C)cccc1C#N 221109466 571837415 /nfs/dbraw/zinc/83/74/15/571837415.db2.gz YODHEHFGUSQQHZ-JTQLQIEISA-N 0 0 186.258 2.853 10 30 AFEERN CC/C=C/[C@H](CC)CC=O 38220204 571837420 /nfs/dbraw/zinc/83/74/20/571837420.db2.gz BQIJRWIQQQTFQM-CYNONHLPSA-N 0 0 140.226 2.568 10 30 AFEERN CC(C)C[C@H](C)CCC=O 38233930 571837602 /nfs/dbraw/zinc/83/76/02/571837602.db2.gz OIZYWYZAFCQLOI-SECBINFHSA-N 0 0 142.242 2.648 10 30 AFEERN CC1=CC[C@H](C(C)C)[C@H](C)C1=O 38212619 571837661 /nfs/dbraw/zinc/83/76/61/571837661.db2.gz DLLLUPGDYWIXGK-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)CNc1c(C)cccc1C#N 221119726 571837780 /nfs/dbraw/zinc/83/77/80/571837780.db2.gz XTRPRSWMWZEUGE-UHFFFAOYSA-N 0 0 186.258 2.855 10 30 AFEERN O=C1C=C2CCCCC[C@H](C1)C2 38220401 571837791 /nfs/dbraw/zinc/83/77/91/571837791.db2.gz JEYZYDOGZUGGHY-JTQLQIEISA-N 0 0 164.248 2.856 10 30 AFEERN CC1=CC[C@H](C(C)C)[C@@H](C)C1=O 38212618 571837926 /nfs/dbraw/zinc/83/79/26/571837926.db2.gz DLLLUPGDYWIXGK-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1C=C(C(C)=O)[C@@H]2CCCC[C@H]12 38234434 571837982 /nfs/dbraw/zinc/83/79/82/571837982.db2.gz ZKTXINXAKXJELN-GHMZBOCLSA-N 0 0 176.259 2.878 10 30 AFEERN O=C1C=C2CCCCC[C@@H](C1)C2 38220400 571838165 /nfs/dbraw/zinc/83/81/65/571838165.db2.gz JEYZYDOGZUGGHY-SNVBAGLBSA-N 0 0 164.248 2.856 10 30 AFEERN CC1=CCC[C@@H](C)[C@]1(C)C=O 38220281 571838295 /nfs/dbraw/zinc/83/82/95/571838295.db2.gz JWBBVURJYSGHMN-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CC[C@@H](C(C)(C)C)C[C@H]1O 5354114 571838509 /nfs/dbraw/zinc/83/85/09/571838509.db2.gz MKWJZCGGUSWUQL-NXEZZACHSA-N 0 0 168.280 2.750 10 30 AFEERN CC1=CC(=O)C(C)=C(C)[C@@]1(C)F 38276395 571838822 /nfs/dbraw/zinc/83/88/22/571838822.db2.gz KBCHDOUUSNEKOP-JTQLQIEISA-N 0 0 168.211 2.580 10 30 AFEERN C[C@@]12C=CC(O)=C(C=O)[C@@H]1CC=CC2 5544000 571841286 /nfs/dbraw/zinc/84/12/86/571841286.db2.gz UDHIZUCNONJWJH-PQHJVFTLSA-N 0 0 190.242 2.540 10 30 AFEERN O=C1C=C(C(F)(F)F)CCCC1 38251355 571838876 /nfs/dbraw/zinc/83/88/76/571838876.db2.gz MVCJJNDLQFRTFW-UHFFFAOYSA-N 0 0 178.153 2.618 10 30 AFEERN C=C1C[C@]2(C)CCCC[C@@H]2C1=O 38265630 571838929 /nfs/dbraw/zinc/83/89/29/571838929.db2.gz YWURSLCPGCJTIO-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C2CCC(=O)C(C)=C2CC1 38265593 571838972 /nfs/dbraw/zinc/83/89/72/571838972.db2.gz OUCMWXPAWCPTIX-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN CN=C(Nc1cccc(C)c1)SC 28124629 571839139 /nfs/dbraw/zinc/83/91/39/571839139.db2.gz ACZAMFQLSFFVKF-UHFFFAOYSA-N 0 0 194.303 2.565 10 30 AFEERN CCC1=Cc2ccccc2C1=O 38251073 571839318 /nfs/dbraw/zinc/83/93/18/571839318.db2.gz ZOCHYVHWTFKWKT-UHFFFAOYSA-N 0 0 158.200 2.676 10 30 AFEERN C=CC(=C)C[C@@H](O)C#Cc1ccccc1 143655030 571841736 /nfs/dbraw/zinc/84/17/36/571841736.db2.gz IZMJDYYWULKCIJ-AWEZNQCLSA-N 0 0 198.265 2.531 10 30 AFEERN CC1=CC(=O)C[C@H](C)C1(C)C 38251006 571839410 /nfs/dbraw/zinc/83/94/10/571839410.db2.gz JDWUUBNMRYXDMZ-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CSC(SC)=C(C)C(C)=O 38265973 571839453 /nfs/dbraw/zinc/83/94/53/571839453.db2.gz WIJSCJKBGRMXSE-UHFFFAOYSA-N 0 0 176.306 2.533 10 30 AFEERN CC1=CC(=O)C(C)=C(C)[C@]1(C)F 38276396 571839490 /nfs/dbraw/zinc/83/94/90/571839490.db2.gz KBCHDOUUSNEKOP-SNVBAGLBSA-N 0 0 168.211 2.580 10 30 AFEERN CC1=CC(=O)C[C@@H]1c1ccccc1 38265872 571839720 /nfs/dbraw/zinc/83/97/20/571839720.db2.gz BHQXSQLAFYLWEF-LBPRGKRZSA-N 0 0 172.227 2.689 10 30 AFEERN CCCCC(=O)C=C(C)C 5510203 571839741 /nfs/dbraw/zinc/83/97/41/571839741.db2.gz XKTQVJODAZKGGU-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN C=CC[C@H](O)C[C@@H](C)CC(F)F 687840555 571839764 /nfs/dbraw/zinc/83/97/64/571839764.db2.gz XRRSNQQJDFPDNS-SFYZADRCSA-N 0 0 178.222 2.605 10 30 AFEERN CC(=O)/C(C)=C\CCC(C)C 38251027 571839803 /nfs/dbraw/zinc/83/98/03/571839803.db2.gz DWORLPRMNWNZHI-CLFYSBASSA-N 0 0 154.253 2.958 10 30 AFEERN CC1=C2C(=O)CC[C@H](C)[C@@H]2CC1 38251152 571840217 /nfs/dbraw/zinc/84/02/17/571840217.db2.gz UAXPWBHXCXEJGW-CBAPKCEASA-N 0 0 164.248 2.712 10 30 AFEERN CC1=CC(=O)C[C@H]1c1ccccc1 38265874 571840288 /nfs/dbraw/zinc/84/02/88/571840288.db2.gz BHQXSQLAFYLWEF-GFCCVEGCSA-N 0 0 172.227 2.689 10 30 AFEERN CC(=O)C=C=C(C)C(C)(C)C 38251005 571840463 /nfs/dbraw/zinc/84/04/63/571840463.db2.gz JXTVELMJLJEXJE-UHFFFAOYSA-N 0 0 152.237 2.723 10 30 AFEERN CC[C@H](CC=O)c1ccsc1 38246843 571840537 /nfs/dbraw/zinc/84/05/37/571840537.db2.gz LANLTCZZEWVJRZ-MRVPVSSYSA-N 0 0 168.261 2.831 10 30 AFEERN C=C(C)[C@@H]1CCC(C)(C)[C@H]1C=O 38251196 571840560 /nfs/dbraw/zinc/84/05/60/571840560.db2.gz AEPUVDUCMZWGKY-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)C[C@@H](O)Cc1ccsc1 160837842 571840635 /nfs/dbraw/zinc/84/06/35/571840635.db2.gz KKFKYSHRXLCNOE-SNVBAGLBSA-N 0 0 182.288 2.618 10 30 AFEERN C=CC[C@H](O)C[C@H](C)CC(F)F 687840556 571840705 /nfs/dbraw/zinc/84/07/05/571840705.db2.gz XRRSNQQJDFPDNS-YUMQZZPRSA-N 0 0 178.222 2.605 10 30 AFEERN CC[C@H](C#N)N[C@H]1CCC[C@@H](C)CC1 233902417 571840751 /nfs/dbraw/zinc/84/07/51/571840751.db2.gz HMZPRYUYWVMAAV-UTUOFQBUSA-N 0 0 194.322 2.847 10 30 AFEERN C=C(C)CCC(=O)c1cc(C)ccn1 169120761 571840906 /nfs/dbraw/zinc/84/09/06/571840906.db2.gz XEQSZHBQJTYLHP-UHFFFAOYSA-N 0 0 189.258 2.929 10 30 AFEERN C=CC[C@@H](O)C[C@H](C)CC(F)F 687840553 571840993 /nfs/dbraw/zinc/84/09/93/571840993.db2.gz XRRSNQQJDFPDNS-JGVFFNPUSA-N 0 0 178.222 2.605 10 30 AFEERN C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CCC=O 38292750 571841004 /nfs/dbraw/zinc/84/10/04/571841004.db2.gz LWTMDKBJLLLBBC-WOPDTQHZSA-N 0 0 178.275 2.958 10 30 AFEERN CCc1ccc(CC)c(CCC=O)c1 258163138 571841074 /nfs/dbraw/zinc/84/10/74/571841074.db2.gz VGUHNNIZMFDLNW-UHFFFAOYSA-N 0 0 190.286 2.943 10 30 AFEERN CCc1cc(CC#N)cc(CC)c1C#N 147348711 571841081 /nfs/dbraw/zinc/84/10/81/571841081.db2.gz QFHPLVCJZALQAL-UHFFFAOYSA-N 0 0 198.269 2.749 10 30 AFEERN CCCCC1=CC[C@H](C)C1=O 5510559 571841213 /nfs/dbraw/zinc/84/12/13/571841213.db2.gz PUNCRTDTFWXUBN-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@]1(C)C(=O)[C@H](C)CC[C@H]1C 38312289 571841295 /nfs/dbraw/zinc/84/12/95/571841295.db2.gz YAPOOORHBZTMHA-KKZNHRDASA-N 0 0 166.264 2.814 10 30 AFEERN CC1=C(C)[C@@H]2CC(C)(C)C[C@@H]2C1=O 38292752 571841428 /nfs/dbraw/zinc/84/14/28/571841428.db2.gz BKUUBQXZRFAZME-UWVGGRQHSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H]1[C@@H](C=O)C[C@H]2C[C@@H]1C2(C)C 38292586 571841431 /nfs/dbraw/zinc/84/14/31/571841431.db2.gz VUNCLQCPKWLBRY-IMSYWVGJSA-N 0 0 166.264 2.504 10 30 AFEERN CC1=CC[C@@H](C(C)C)C/C1=N\O 38350353 571844184 /nfs/dbraw/zinc/84/41/84/571844184.db2.gz WEHKIEYKMLAEDU-HNLKAFMCSA-N 0 0 167.252 2.829 10 30 AFEERN C=CC[C@@H](O)C[C@@H](C)CC(F)F 687840542 571841486 /nfs/dbraw/zinc/84/14/86/571841486.db2.gz XRRSNQQJDFPDNS-HTQZYQBOSA-N 0 0 178.222 2.605 10 30 AFEERN C[C@]12C=CC(O)=C(C=O)[C@@H]1CC=CC2 5543995 571841584 /nfs/dbraw/zinc/84/15/84/571841584.db2.gz UDHIZUCNONJWJH-JDQIMWGRSA-N 0 0 190.242 2.540 10 30 AFEERN C[C@]12CCC[C@]13CC(=O)C=C3CC2 38292730 571841792 /nfs/dbraw/zinc/84/17/92/571841792.db2.gz CDLGNFXQFGXCKQ-VXGBXAGGSA-N 0 0 176.259 2.856 10 30 AFEERN CCc1ccc(C)c(CCC=O)c1 258037753 571841883 /nfs/dbraw/zinc/84/18/83/571841883.db2.gz PWQYTUYDPYGHAR-UHFFFAOYSA-N 0 0 176.259 2.689 10 30 AFEERN CC(=O)C1=C(C)c2ccccc2C1 38292665 571842058 /nfs/dbraw/zinc/84/20/58/571842058.db2.gz PHYXXGGGOXXXPQ-UHFFFAOYSA-N 0 0 172.227 2.605 10 30 AFEERN C[C@H]1CC=C2C(=O)C[C@@H]3CC[C@@]21C3 38292729 571842115 /nfs/dbraw/zinc/84/21/15/571842115.db2.gz UQKDLYLALMWDSW-AUTRQRHGSA-N 0 0 176.259 2.712 10 30 AFEERN CCCCC1=CC[C@@H](C)C1=O 5510561 571842195 /nfs/dbraw/zinc/84/21/95/571842195.db2.gz PUNCRTDTFWXUBN-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN CCC1C(=O)CC(C)(C)CC1=O 5727990 571842656 /nfs/dbraw/zinc/84/26/56/571842656.db2.gz ZGILRXPIZYDGSA-UHFFFAOYSA-N 0 0 168.236 2.598 10 30 AFEERN C=CC[C@H]1CC=CC(=O)C1(C)C 38312272 571842765 /nfs/dbraw/zinc/84/27/65/571842765.db2.gz KVHGAPMYDSCUBH-VIFPVBQESA-N 0 0 164.248 2.734 10 30 AFEERN CC(C)(C)[C@@H]1CCC=CC(=O)C1 5641480 571843364 /nfs/dbraw/zinc/84/33/64/571843364.db2.gz XXRZJOHENVCOPY-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cccc(OC/C=C\CS)c1 211612121 571843404 /nfs/dbraw/zinc/84/34/04/571843404.db2.gz VVLWNMWAPGZLQV-IHWYPQMZSA-N 0 0 194.299 2.860 10 30 AFEERN CC1(C)[C@@H]2CC=C(CC=O)[C@H]1C2 5765352 571848388 /nfs/dbraw/zinc/84/83/88/571848388.db2.gz BLKPFVWYBFDTPX-NXEZZACHSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)(C)[C@@H]1CC=CC(=O)CC1 5641483 571844197 /nfs/dbraw/zinc/84/41/97/571844197.db2.gz QTWUMKGRDSPOMB-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc2c3c(c[nH]c3c1)C(=O)C=C2 38338720 571844245 /nfs/dbraw/zinc/84/42/45/571844245.db2.gz VQJOLRARKSTMSF-UHFFFAOYSA-N 0 0 183.210 2.686 10 30 AFEERN CC(C)N(CC#N)CCC1CCCC1 300716708 571845059 /nfs/dbraw/zinc/84/50/59/571845059.db2.gz DRMNZTJLRHZKJH-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN CCCCC#CC1=CC(=O)CCC1 38350434 571845143 /nfs/dbraw/zinc/84/51/43/571845143.db2.gz WBDYUWNZNNPQRI-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN CN=C(Nc1ccc(C)cc1)SC 28330610 571845320 /nfs/dbraw/zinc/84/53/20/571845320.db2.gz QLMRUZJCSPRGMP-UHFFFAOYSA-N 0 0 194.303 2.565 10 30 AFEERN CC(C)(C)/N=C/c1ccccc1O 5713470 571845517 /nfs/dbraw/zinc/84/55/17/571845517.db2.gz BISGSYSKVKLMFB-XYOKQWHBSA-N 0 0 177.247 2.610 10 30 AFEERN CC1=CC(=O)CC[C@H]1CC(C)C 38415971 571845790 /nfs/dbraw/zinc/84/57/90/571845790.db2.gz VNGRPXROTXTGEW-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN O=C[C@@H](F)C12CC3CC(CC(C3)C1)C2 38363540 571845835 /nfs/dbraw/zinc/84/58/35/571845835.db2.gz YRFYRHYNJSQIIO-LTMLNTECSA-N 0 0 196.265 2.740 10 30 AFEERN CC1=CC[C@@]2(CC1)OC2(C)C 5767327 571846097 /nfs/dbraw/zinc/84/60/97/571846097.db2.gz RTLTXXDTPFWZLO-JTQLQIEISA-N 0 0 152.237 2.664 10 30 endogenous,in-man AFEERN C[C@H]1C(=O)CC(C)(C)CC[C@@H]1C#N 38416178 571846363 /nfs/dbraw/zinc/84/63/63/571846363.db2.gz GYXGRXUKWDLUJW-RKDXNWHRSA-N 0 0 179.263 2.541 10 30 AFEERN CC1=CC(=O)CC[C@@H]1CC(C)C 38415970 571846372 /nfs/dbraw/zinc/84/63/72/571846372.db2.gz VNGRPXROTXTGEW-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCC[C@H](CC=O)C1(C)C 38415969 571846551 /nfs/dbraw/zinc/84/65/51/571846551.db2.gz VPTCPVYJATVATN-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(C)(C)[C@H]([C@@H](C)C=O)C1 38415972 571846588 /nfs/dbraw/zinc/84/65/88/571846588.db2.gz XVFXQGLNLQFBTI-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1ccc(OC/C=C\CS)cc1 211613016 571846728 /nfs/dbraw/zinc/84/67/28/571846728.db2.gz MSKOYWFXGRQNPG-IHWYPQMZSA-N 0 0 194.299 2.860 10 30 AFEERN C=CC[C@H]1CCCCC(=O)[C@H]1C 206457407 571846733 /nfs/dbraw/zinc/84/67/33/571846733.db2.gz SEEDOWPBCSVJPD-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(C)(C)[C@H]([C@H](C)C=O)C1 38415974 571846953 /nfs/dbraw/zinc/84/69/53/571846953.db2.gz XVFXQGLNLQFBTI-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN CC1=CCCC(C)(C)[C@H]1CC=O 5766999 571846960 /nfs/dbraw/zinc/84/69/60/571846960.db2.gz YJKGMUJSGUUUJU-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(C)(C)[C@@H]([C@H](C)C=O)C1 38415975 571846977 /nfs/dbraw/zinc/84/69/77/571846977.db2.gz XVFXQGLNLQFBTI-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@@H]1CCC[C@H]1CC=O 38433782 571847012 /nfs/dbraw/zinc/84/70/12/571847012.db2.gz GPJGGRGOGWNBBT-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H](CC#N)COCc1ccccc1 38363441 571847050 /nfs/dbraw/zinc/84/70/50/571847050.db2.gz ODWXJGOOONGCCG-NSHDSACASA-N 0 0 189.258 2.753 10 30 AFEERN C=C(C)c1c(C)cccc1O 5782372 571847100 /nfs/dbraw/zinc/84/71/00/571847100.db2.gz RAQYGFLFCLNEAB-UHFFFAOYSA-N 0 0 148.205 2.734 10 30 AFEERN CC1=CC(=O)[C@@H](C(C)C)C1(C)C 5791623 571847240 /nfs/dbraw/zinc/84/72/40/571847240.db2.gz APJNFHYKAHKUCP-SNVBAGLBSA-N 0 0 166.264 2.814 10 30 AFEERN CCC[C@@H](C=O)OCc1ccccc1 38363496 571847310 /nfs/dbraw/zinc/84/73/10/571847310.db2.gz NMWVMYIEEIPRQN-LBPRGKRZSA-N 0 0 192.258 2.571 10 30 AFEERN CC(C)(C)O/N=C/c1ccccc1 38392042 571847364 /nfs/dbraw/zinc/84/73/64/571847364.db2.gz OMGYRVZNACAWDS-FMIVXFBMSA-N 0 0 177.247 2.836 10 30 AFEERN C=CC[C@@H]1CCCCC(=O)[C@@H]1C 206457339 571847774 /nfs/dbraw/zinc/84/77/74/571847774.db2.gz SEEDOWPBCSVJPD-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(C)(C)[C@H](C=O)CC1 5766849 571847875 /nfs/dbraw/zinc/84/78/75/571847875.db2.gz FDSNFOIVNIUNDP-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CCC(C)(C)C[C@H]1C=O 713096644 571848102 /nfs/dbraw/zinc/84/81/02/571848102.db2.gz NMBLXFAZGPSQGE-BDAKNGLRSA-N 0 0 154.253 2.648 10 30 AFEERN CC1=CC(=O)[C@@H](C(C)(C)C)S1 5766801 571848184 /nfs/dbraw/zinc/84/81/84/571848184.db2.gz OAAHETJNJITZLV-QMMMGPOBSA-N 0 0 170.277 2.621 10 30 AFEERN C=C(C)C[C@H](CCC(C)(C)C)NN 300718396 571848189 /nfs/dbraw/zinc/84/81/89/571848189.db2.gz AKPQSPUACZJQTD-JTQLQIEISA-N 0 0 184.327 2.611 10 30 AFEERN C=CC[C@H]1CCCCC(=O)[C@@H]1C 206457372 571848429 /nfs/dbraw/zinc/84/84/29/571848429.db2.gz SEEDOWPBCSVJPD-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H]1CCC(C)(C)C[C@@H]1C=O 713096648 571848599 /nfs/dbraw/zinc/84/85/99/571848599.db2.gz NMBLXFAZGPSQGE-DTWKUNHWSA-N 0 0 154.253 2.648 10 30 AFEERN CC1=CC(=O)[C@H](C(C)C)C1(C)C 5791621 571848670 /nfs/dbraw/zinc/84/86/70/571848670.db2.gz APJNFHYKAHKUCP-JTQLQIEISA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@H]1CCC(C)(C)C[C@@H]1C=O 713096650 571848718 /nfs/dbraw/zinc/84/87/18/571848718.db2.gz NMBLXFAZGPSQGE-RKDXNWHRSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@H]1CCC(C)(C)C[C@H]1C=O 713096649 571849054 /nfs/dbraw/zinc/84/90/54/571849054.db2.gz NMBLXFAZGPSQGE-IUCAKERBSA-N 0 0 154.253 2.648 10 30 AFEERN CC1=CC2=C(CCC2)C(=O)C12CC2 38523222 571849290 /nfs/dbraw/zinc/84/92/90/571849290.db2.gz OICQXNMWSVOAKP-UHFFFAOYSA-N 0 0 174.243 2.776 10 30 AFEERN Cc1cccc(C(Cl)=NO)c1C 379312007 571849397 /nfs/dbraw/zinc/84/93/97/571849397.db2.gz UMSMQKCUYDXNJD-UHFFFAOYSA-N 0 0 183.638 2.678 10 30 AFEERN C=CC[NH2+]Cc1cnc2ccccc2c1 300717658 571849815 /nfs/dbraw/zinc/84/98/15/571849815.db2.gz UYHNMHQVLFFRCK-UHFFFAOYSA-N 0 0 198.269 2.510 10 30 AFEERN O=C1C=C2CCCC[C@]23CC[C@H]1C3 38523261 571850021 /nfs/dbraw/zinc/85/00/21/571850021.db2.gz LNGSLKGPPJSBGI-JOYOIKCWSA-N 0 0 176.259 2.856 10 30 AFEERN C=C(C)C(=O)OCC(C)(C)CCC 5819688 571850578 /nfs/dbraw/zinc/85/05/78/571850578.db2.gz YFDAAPDBSTZCJE-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN COc1ccccc1/C=C\CC#N 260440020 571850668 /nfs/dbraw/zinc/85/06/68/571850668.db2.gz OUQLTQYOTDEGKZ-DAXSKMNVSA-N 0 0 173.215 2.622 10 30 AFEERN CC(C)=NN=C1C(C)(C)N=NC1(C)C 5899529 571851031 /nfs/dbraw/zinc/85/10/31/571851031.db2.gz YOFWMYOAWKGDLJ-UHFFFAOYSA-N 0 0 194.282 2.846 10 30 AFEERN CCCC[C@@H]1CC=CC(=O)[C@H]1C 206491085 571851034 /nfs/dbraw/zinc/85/10/34/571851034.db2.gz YKOKXISIPIKMKU-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CCCC/C(CCC)=N/O 5819743 571851103 /nfs/dbraw/zinc/85/11/03/571851103.db2.gz AKLMPECUKBNPII-CMDGGOBGSA-N 0 0 143.230 2.807 10 30 AFEERN Fc1ccc(OC/C=C\CS)cc1 211614830 571851318 /nfs/dbraw/zinc/85/13/18/571851318.db2.gz MXEDLKNGVRGART-UPHRSURJSA-N 0 0 198.262 2.691 10 30 AFEERN CC(C)(C)SCCC1(C=O)CC1 317224084 571851330 /nfs/dbraw/zinc/85/13/30/571851330.db2.gz MUGFRQOSHRSOJI-UHFFFAOYSA-N 0 0 186.320 2.887 10 30 AFEERN Cc1cc(C)cc(C(Cl)=NO)c1 379311237 571851346 /nfs/dbraw/zinc/85/13/46/571851346.db2.gz IWLWIBHLVHBLAV-UHFFFAOYSA-N 0 0 183.638 2.678 10 30 AFEERN CCCC[C@H]1CC=CC(=O)[C@H]1C 206491122 571851351 /nfs/dbraw/zinc/85/13/51/571851351.db2.gz YKOKXISIPIKMKU-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@@H]1CC[C@](C)(Cl)[C@H](O)C1 196111172 571851409 /nfs/dbraw/zinc/85/14/09/571851409.db2.gz QUQBGXSGPVDGSW-BBBLOLIVSA-N 0 0 188.698 2.721 10 30 AFEERN CC1=CC[C@@H]([C@@H](C)C=O)C1(C)C 38582937 571851681 /nfs/dbraw/zinc/85/16/81/571851681.db2.gz FIKVSYKGEOCOPN-WPRPVWTQSA-N 0 0 166.264 2.814 10 30 AFEERN N#Cc1ccsc1-c1cccnc1 28816770 571851867 /nfs/dbraw/zinc/85/18/67/571851867.db2.gz XYHBAUWDSLDMGL-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN CC(C)(C)C#C[C@H](O)CC(C)(C)C 196104480 571852192 /nfs/dbraw/zinc/85/21/92/571852192.db2.gz XGSWUFLRIVINMQ-JTQLQIEISA-N 0 0 182.307 2.833 10 30 AFEERN C=CCC[C@H](CCC(C)(C)C)NN 300720643 571852297 /nfs/dbraw/zinc/85/22/97/571852297.db2.gz CFYVSGDZEVVPMW-SNVBAGLBSA-N 0 0 184.327 2.611 10 30 AFEERN C=CCC[C@@H](CCC(C)(C)C)NN 300720642 571852424 /nfs/dbraw/zinc/85/24/24/571852424.db2.gz CFYVSGDZEVVPMW-JTQLQIEISA-N 0 0 184.327 2.611 10 30 AFEERN CC1=CC[C@@H]([C@H](C)C=O)C1(C)C 38582942 571852472 /nfs/dbraw/zinc/85/24/72/571852472.db2.gz FIKVSYKGEOCOPN-SCZZXKLOSA-N 0 0 166.264 2.814 10 30 AFEERN CCCC[C@@H]1CC=CC(=O)[C@@H]1C 206491004 571852480 /nfs/dbraw/zinc/85/24/80/571852480.db2.gz YKOKXISIPIKMKU-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)CC1=C(C)CCC1=O 196104373 571855017 /nfs/dbraw/zinc/85/50/17/571855017.db2.gz KKOASYJIIDSHOU-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C[C@@H]1CCC2=CC(=O)[C@H]3CC[C@]21C3 38583380 571852726 /nfs/dbraw/zinc/85/27/26/571852726.db2.gz DDDVISHOHPFFMS-VDDIYKPWSA-N 0 0 176.259 2.712 10 30 AFEERN CC(C)C[C@H](C#N)c1ccccn1 38634527 571852753 /nfs/dbraw/zinc/85/27/53/571852753.db2.gz GPMCJRHRMGDKEE-SNVBAGLBSA-N 0 0 174.247 2.735 10 30 in-vitro AFEERN C[C@](O)(CC=O)CCC1CCCCC1 300758887 571852799 /nfs/dbraw/zinc/85/27/99/571852799.db2.gz NFVCTOKKQSJXIY-GFCCVEGCSA-N 0 0 198.306 2.687 10 30 AFEERN CC1=CC[C@H]([C@H](C)C=O)C1(C)C 38582940 571852859 /nfs/dbraw/zinc/85/28/59/571852859.db2.gz FIKVSYKGEOCOPN-PSASIEDQSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1CCC2=CC(=O)CC[C@]12C 38582819 571852886 /nfs/dbraw/zinc/85/28/86/571852886.db2.gz PHRHZILHELZNFK-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C[C@H](CCC=O)C(C)(C)C 38582265 571852989 /nfs/dbraw/zinc/85/29/89/571852989.db2.gz NHBINGOOBNESIC-MRVPVSSYSA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@@](C)(C#N)[C@](C)(C#N)CC 5923626 571853010 /nfs/dbraw/zinc/85/30/10/571853010.db2.gz YPKRPUBUHLHYRJ-UWVGGRQHSA-N 0 0 164.252 2.866 10 30 AFEERN CC1=CC[C@H]([C@@H](C)C=O)C1(C)C 38582934 571853016 /nfs/dbraw/zinc/85/30/16/571853016.db2.gz FIKVSYKGEOCOPN-WCBMZHEXSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@](C)(C#N)[C@@](C)(C#N)CC 5954688 571853122 /nfs/dbraw/zinc/85/31/22/571853122.db2.gz YPKRPUBUHLHYRJ-NXEZZACHSA-N 0 0 164.252 2.866 10 30 AFEERN C[C@@H](CCC=O)C(C)(C)C 38582264 571853318 /nfs/dbraw/zinc/85/33/18/571853318.db2.gz NHBINGOOBNESIC-QMMMGPOBSA-N 0 0 142.242 2.648 10 30 AFEERN C[C@@](C#N)(c1ccccc1)C1CC1 261109550 571853439 /nfs/dbraw/zinc/85/34/39/571853439.db2.gz CUJKYVANJARWDO-GFCCVEGCSA-N 0 0 171.243 2.878 10 30 AFEERN CC[C@](C#N)(OC(C)C)C1CCC1 322946089 571853549 /nfs/dbraw/zinc/85/35/49/571853549.db2.gz QHVLXDDSTHCHQD-LLVKDONJSA-N 0 0 181.279 2.884 10 30 AFEERN C[C@@H]1CCC(C)(C)C[C@@H]1C#N 713114538 571853930 /nfs/dbraw/zinc/85/39/30/571853930.db2.gz WQONWYDUDARKCO-RKDXNWHRSA-N 0 0 151.253 2.972 10 30 AFEERN CC(C)/C=C1\C[C@H](C)CCC1=O 38760213 571853947 /nfs/dbraw/zinc/85/39/47/571853947.db2.gz XTUSSTBERVQXPJ-ZFZMKPAXSA-N 0 0 166.264 2.958 10 30 AFEERN C/C=C\C(=O)/C=C\c1ccccc1 214650611 571853952 /nfs/dbraw/zinc/85/39/52/571853952.db2.gz GXRIMDUAAIHQMA-RPHQCEAZSA-N 0 0 172.227 2.845 10 30 AFEERN C[C@@H]1CCC(C)(C)C[C@H]1C#N 713114532 571854119 /nfs/dbraw/zinc/85/41/19/571854119.db2.gz WQONWYDUDARKCO-BDAKNGLRSA-N 0 0 151.253 2.972 10 30 AFEERN CC(=O)C(=C(C)O)c1ccccc1 5976444 571854591 /nfs/dbraw/zinc/85/45/91/571854591.db2.gz RIQCDVHEPLIKAO-DHZHZOJOSA-N 0 0 176.215 2.565 10 30 AFEERN CC[C@](C)(C#N)[C@](C)(C#N)CC 5923629 571854810 /nfs/dbraw/zinc/85/48/10/571854810.db2.gz YPKRPUBUHLHYRJ-AOOOYVTPSA-N 0 0 164.252 2.866 10 30 AFEERN CC(C)(C#N)c1cc2ccccc2[nH]1 38672065 571854873 /nfs/dbraw/zinc/85/48/73/571854873.db2.gz CXTGCFSUEATZBL-UHFFFAOYSA-N 0 0 184.242 2.969 10 30 AFEERN C[C@H]1CCC(C)(C)C[C@@H]1C#N 713114533 571855271 /nfs/dbraw/zinc/85/52/71/571855271.db2.gz WQONWYDUDARKCO-DTWKUNHWSA-N 0 0 151.253 2.972 10 30 AFEERN CC1=C[C@@H](C)C[C@@H](C#N)C1 6066598 571857195 /nfs/dbraw/zinc/85/71/95/571857195.db2.gz PHYAMLKALRTMOP-VXNVDRBHSA-N 0 0 135.210 2.502 10 30 AFEERN C[C@H]1CCC(C)(C)C[C@H]1C#N 713114536 571855456 /nfs/dbraw/zinc/85/54/56/571855456.db2.gz WQONWYDUDARKCO-IUCAKERBSA-N 0 0 151.253 2.972 10 30 AFEERN C=Nc1c(C)cccc1CC 5956614 571855474 /nfs/dbraw/zinc/85/54/74/571855474.db2.gz UUMWWWHCQIKRJM-UHFFFAOYSA-N 0 0 147.221 2.890 10 30 AFEERN C/C=C(\C)C(=O)c1cccs1 38665545 571855508 /nfs/dbraw/zinc/85/55/08/571855508.db2.gz AQTSJXCHBASWRF-XVNBXDOJSA-N 0 0 166.245 2.897 10 30 AFEERN COc1ccc(/N=C/C(F)F)cc1 38761144 571855526 /nfs/dbraw/zinc/85/55/26/571855526.db2.gz KSVAPPNEFYSEKD-WUXMJOGZSA-N 0 0 185.173 2.663 10 30 AFEERN CSC(=S)NNc1ccccc1 6019628 571857212 /nfs/dbraw/zinc/85/72/12/571857212.db2.gz SZCVCDOFDCMDRN-UHFFFAOYSA-N 0 0 198.316 2.662 10 30 AFEERN CO/N=C(/C)c1c[nH]c2ccccc12 6021788 571855885 /nfs/dbraw/zinc/85/58/85/571855885.db2.gz GPPPJFYXZIWAIC-JYRVWZFOSA-N 0 0 188.230 2.538 10 30 AFEERN C=CC[C@@H]1C=CCCC1 111332440 571855894 /nfs/dbraw/zinc/85/58/94/571855894.db2.gz RGURBRHZWFDJBM-SECBINFHSA-N 0 0 122.211 2.919 10 30 AFEERN CC1=C[C@@H](C)C[C@H](C#N)C1 6037938 571856097 /nfs/dbraw/zinc/85/60/97/571856097.db2.gz PHYAMLKALRTMOP-APPZFPTMSA-N 0 0 135.210 2.502 10 30 AFEERN C[C@@H]1SC(C(C)(C)C)=CC1=O 6037221 571856135 /nfs/dbraw/zinc/85/61/35/571856135.db2.gz RXNOJFZQYKOQQI-LURJTMIESA-N 0 0 170.277 2.621 10 30 AFEERN CC1=CCC[C@H](CC=O)C1(C)C 38810176 571856240 /nfs/dbraw/zinc/85/62/40/571856240.db2.gz SYHVJIASMXPWOW-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)/C=C1\CC(C)(C)CC1=O 38810177 571856258 /nfs/dbraw/zinc/85/62/58/571856258.db2.gz GBMUXDDFCBVGAW-WEVVVXLNSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CCCC(C)(C)CC1=O 38810001 571856344 /nfs/dbraw/zinc/85/63/44/571856344.db2.gz WJUCIXLSRMZCEN-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC1=C[C@H](C)[C@](C)(C=O)CC1 6037293 571856577 /nfs/dbraw/zinc/85/65/77/571856577.db2.gz MXWYNNSXCNWNON-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN CCc1cc(C#N)c(N=[N+]=[N-])nc1C 38810546 571856580 /nfs/dbraw/zinc/85/65/80/571856580.db2.gz UDVPFVDDZZEUGA-UHFFFAOYSA-N 0 0 187.206 2.766 10 30 AFEERN CC1=C[C@@H](C)[C@](C)(C=O)CC1 6030570 571856860 /nfs/dbraw/zinc/85/68/60/571856860.db2.gz MXWYNNSXCNWNON-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN CCC[C@H](C#N)[C@H](O)c1ccccc1 38846295 571856933 /nfs/dbraw/zinc/85/69/33/571856933.db2.gz CMJFIJJHWGTYFM-VXGBXAGGSA-N 0 0 189.258 2.660 10 30 AFEERN C[C@H](C=O)[C@H](C)CC(C)(C)C 6036135 571857148 /nfs/dbraw/zinc/85/71/48/571857148.db2.gz COJYJCJUBHUSDJ-RKDXNWHRSA-N 0 0 156.269 2.894 10 30 AFEERN [N-]=[N+]=Nc1ccc(C=O)s1 38810011 571857533 /nfs/dbraw/zinc/85/75/33/571857533.db2.gz SVQUNOHHTSICDI-UHFFFAOYSA-N 0 0 153.166 2.502 10 30 AFEERN CC1=C[C@H](C)[C@@](C)(C=O)CC1 6037298 571857666 /nfs/dbraw/zinc/85/76/66/571857666.db2.gz MXWYNNSXCNWNON-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN N#CCc1cc2ccc(O)cc2s1 214562479 571859060 /nfs/dbraw/zinc/85/90/60/571859060.db2.gz DIKWBEAOQGJMBF-UHFFFAOYSA-N 0 0 189.239 2.673 10 30 AFEERN C=C1C[C@H]2CC[C@@H](C1)C2 111342410 571857773 /nfs/dbraw/zinc/85/77/73/571857773.db2.gz WHZYMMAAJCRPGM-DTORHVGOSA-N 0 0 122.211 2.753 10 30 AFEERN O=C1CCCC[C@@H]2CCCC=C12 196118437 571857805 /nfs/dbraw/zinc/85/78/05/571857805.db2.gz NTZCPYZDOIATAA-VIFPVBQESA-N 0 0 164.248 2.856 10 30 AFEERN C[C@]12CCC[C@](C)(CC1)C2=NO 6032266 571857863 /nfs/dbraw/zinc/85/78/63/571857863.db2.gz RADAAKRXEPVXBU-AOOOYVTPSA-N 0 0 167.252 2.807 10 30 endogenous,in-man AFEERN C=C(C[Si](C)(C)C)C(=O)CC 196102282 571858085 /nfs/dbraw/zinc/85/80/85/571858085.db2.gz NONCNIYBCRTHCY-UHFFFAOYSA-N 0 0 170.328 2.860 10 30 AFEERN C/C(=C\C(C)C)C(=O)C(C)C 38864766 571859559 /nfs/dbraw/zinc/85/95/59/571859559.db2.gz AIGNMGXQLVMHIU-RMKNXTFCSA-N 0 0 154.253 2.814 10 30 AFEERN CC1=C[C@@H](C)[C@@](C)(C=O)CC1 6030575 571858529 /nfs/dbraw/zinc/85/85/29/571858529.db2.gz MXWYNNSXCNWNON-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C(\C)C(=O)CC(C)C 38809907 571858607 /nfs/dbraw/zinc/85/86/07/571858607.db2.gz VMMUAOMOKBEIBA-VMPITWQZSA-N 0 0 140.226 2.568 10 30 AFEERN Cc1cc(C(C)(C)C#N)c(C)cc1O 214564836 571859572 /nfs/dbraw/zinc/85/95/72/571859572.db2.gz OQTWQIJAMKQJEM-UHFFFAOYSA-N 0 0 189.258 2.810 10 30 AFEERN C=CC(C)(C)C(=O)CCC 196104273 571858991 /nfs/dbraw/zinc/85/89/91/571858991.db2.gz PAENRVXUDWDZLP-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN CC(C)[C@H](C=O)[Si](C)(C)C 196117936 571859042 /nfs/dbraw/zinc/85/90/42/571859042.db2.gz JPKWAOUWZFTCSX-QMMMGPOBSA-N 0 0 158.317 2.550 10 30 AFEERN Cc1cc(C)c([C@H](C)C#N)c(C)c1O 214565235 571859008 /nfs/dbraw/zinc/85/90/08/571859008.db2.gz HPYCLDBBQXHVGX-SECBINFHSA-N 0 0 189.258 2.945 10 30 AFEERN O=C1CCCC[C@H]2CCCC=C12 196118431 571859148 /nfs/dbraw/zinc/85/91/48/571859148.db2.gz NTZCPYZDOIATAA-SECBINFHSA-N 0 0 164.248 2.856 10 30 AFEERN CC1=CC(=O)CC[C@@H]1C(C)C 38864715 571859200 /nfs/dbraw/zinc/85/92/00/571859200.db2.gz PICMFKWTWAPKCB-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN CCCC[C@H]1C=CC(=O)CC1 138902584 571859225 /nfs/dbraw/zinc/85/92/25/571859225.db2.gz NYEWPZJBNOUNPM-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN Cc1ccc(C(C)C)c(O)c1CC#N 214563428 571859236 /nfs/dbraw/zinc/85/92/36/571859236.db2.gz BCXJIYTZARQALE-UHFFFAOYSA-N 0 0 189.258 2.890 10 30 AFEERN O=CCCCc1ccsc1Cl 687869870 571859247 /nfs/dbraw/zinc/85/92/47/571859247.db2.gz AFFWRTFOTDYTFQ-UHFFFAOYSA-N 0 0 188.679 2.923 10 30 AFEERN Cc1cccc(OC(C)C)c1CC#N 214563886 571859696 /nfs/dbraw/zinc/85/96/96/571859696.db2.gz HYIBGXQVSCQHRY-UHFFFAOYSA-N 0 0 189.258 2.848 10 30 AFEERN CC(C)[C@@H](C=O)[Si](C)(C)C 196117892 571859734 /nfs/dbraw/zinc/85/97/34/571859734.db2.gz JPKWAOUWZFTCSX-MRVPVSSYSA-N 0 0 158.317 2.550 10 30 AFEERN CCc1cc(Cl)cc(/C=N\C)c1O 111365883 571859893 /nfs/dbraw/zinc/85/98/93/571859893.db2.gz NSHQJZVHLDYCLF-SDQBBNPISA-N 0 0 197.665 2.657 10 30 AFEERN CC(C)(C)C#C[C@@H](O)CC(C)(C)C 196104471 571859934 /nfs/dbraw/zinc/85/99/34/571859934.db2.gz XGSWUFLRIVINMQ-SNVBAGLBSA-N 0 0 182.307 2.833 10 30 AFEERN Cc1ccc(C(C)C)c(CC#N)c1O 214563347 571860153 /nfs/dbraw/zinc/86/01/53/571860153.db2.gz GCJVMVBFYAQYHE-UHFFFAOYSA-N 0 0 189.258 2.890 10 30 AFEERN COc1c(C)cc(C)c(CC#N)c1C 214565532 571860162 /nfs/dbraw/zinc/86/01/62/571860162.db2.gz XNYJTFPATSWDSG-UHFFFAOYSA-N 0 0 189.258 2.687 10 30 AFEERN CCC(O)=CC(=O)c1ccccc1 111394860 571860187 /nfs/dbraw/zinc/86/01/87/571860187.db2.gz OXMWDSPPKIIEAX-FLIBITNWSA-N 0 0 176.215 2.565 10 30 AFEERN CC(C)(C)c1cccc(CC#N)c1O 214563581 571860221 /nfs/dbraw/zinc/86/02/21/571860221.db2.gz VXFUWWNJCFGBAD-UHFFFAOYSA-N 0 0 189.258 2.756 10 30 AFEERN CC1=CC(=O)C(C)=CCCC1 38880738 571860255 /nfs/dbraw/zinc/86/02/55/571860255.db2.gz GALJCMRYZLJTGN-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN N#CCc1ccc2sccc2c1O 214562638 571860264 /nfs/dbraw/zinc/86/02/64/571860264.db2.gz PMVALWANHSDCMR-UHFFFAOYSA-N 0 0 189.239 2.673 10 30 AFEERN COc1c(C)ccc(C)c1CCC#N 214565386 571860315 /nfs/dbraw/zinc/86/03/15/571860315.db2.gz LPJAUYQOLCAIBZ-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN CSCCC(=O)CC#CC(C)(C)C 300728852 571860403 /nfs/dbraw/zinc/86/04/03/571860403.db2.gz DYYUDFDGPWHNOC-UHFFFAOYSA-N 0 0 198.331 2.748 10 30 AFEERN Cc1ccc(C)c(C(C)(C)C#N)c1O 214564907 571860409 /nfs/dbraw/zinc/86/04/09/571860409.db2.gz JVPUFVGAJXMNGZ-UHFFFAOYSA-N 0 0 189.258 2.810 10 30 AFEERN COc1c(C)ccc(C)c1[C@H](C)C#N 214565120 571860444 /nfs/dbraw/zinc/86/04/44/571860444.db2.gz LUHXBNXZQKCNGC-SNVBAGLBSA-N 0 0 189.258 2.939 10 30 AFEERN CC(C)CCCCOC[C@H](C)C=O 113325138 571860475 /nfs/dbraw/zinc/86/04/75/571860475.db2.gz IKKLMLBPCOABKR-LLVKDONJSA-N 0 0 186.295 2.664 10 30 AFEERN CCCC(=O)/C(Cl)=C/Cl 38879696 571860498 /nfs/dbraw/zinc/86/04/98/571860498.db2.gz OAEUAOADDGALJC-PLNGDYQASA-N 0 0 167.035 2.675 10 30 AFEERN CCCC[C@@H]1C=CC(=O)CC1 138902711 571860585 /nfs/dbraw/zinc/86/05/85/571860585.db2.gz NYEWPZJBNOUNPM-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN N#CCc1cc2cccc(O)c2s1 214562558 571860638 /nfs/dbraw/zinc/86/06/38/571860638.db2.gz AXQFQPDFBLTBEG-UHFFFAOYSA-N 0 0 189.239 2.673 10 30 AFEERN Cc1cc(C)c(CCC#N)c(C)c1O 214565459 571860710 /nfs/dbraw/zinc/86/07/10/571860710.db2.gz WYGZXUJJTFUNTO-UHFFFAOYSA-N 0 0 189.258 2.774 10 30 AFEERN C=C(C)c1ccccc1C#N 38881486 571860738 /nfs/dbraw/zinc/86/07/38/571860738.db2.gz DOOVGBOLQKPYFI-UHFFFAOYSA-N 0 0 143.189 2.591 10 30 AFEERN CC(C)/C=C1\CCC(C)(C)C1=O 38865092 571860876 /nfs/dbraw/zinc/86/08/76/571860876.db2.gz DHNVQBYWPVOEAJ-VQHVLOKHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C)c1ccc(O)c(CC#N)c1 214563507 571860895 /nfs/dbraw/zinc/86/08/95/571860895.db2.gz WIPVVAJOGIQZNM-UHFFFAOYSA-N 0 0 189.258 2.756 10 30 AFEERN COc1cc(CC#N)ccc1C(C)C 214563743 571860900 /nfs/dbraw/zinc/86/09/00/571860900.db2.gz OYLJNMSLJJTZEO-UHFFFAOYSA-N 0 0 189.258 2.885 10 30 AFEERN Cc1ccsc1C=Nn1cccc1 379373875 571860913 /nfs/dbraw/zinc/86/09/13/571860913.db2.gz MBVCRZIILIUGNS-UHFFFAOYSA-N 0 0 190.271 2.740 10 30 AFEERN CC1(C)C=CCC[C@@H]1CC=O 38864712 571861045 /nfs/dbraw/zinc/86/10/45/571861045.db2.gz UZOKKTZCESEARF-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN COc1cccc(C)c1C(C)(C)C#N 214564758 571861076 /nfs/dbraw/zinc/86/10/76/571861076.db2.gz JFVHDKOWQDVRCJ-UHFFFAOYSA-N 0 0 189.258 2.805 10 30 AFEERN C=Nc1c(C)cccc1C 6071694 571861537 /nfs/dbraw/zinc/86/15/37/571861537.db2.gz DVEJPRNXGSWVJV-UHFFFAOYSA-N 0 0 133.194 2.636 10 30 AFEERN CCOc1c(CC#N)ccc(C)c1C 214563817 571861559 /nfs/dbraw/zinc/86/15/59/571861559.db2.gz MRFHXWHJXCQIRU-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN COc1cc(CC#N)cc(C(C)C)c1 214563660 571861733 /nfs/dbraw/zinc/86/17/33/571861733.db2.gz FWQKFSYOCJBJOJ-UHFFFAOYSA-N 0 0 189.258 2.885 10 30 AFEERN O=C[C@H]1CC[C@@H](c2ccc(F)cc2)C1 138970656 571861877 /nfs/dbraw/zinc/86/18/77/571861877.db2.gz DXJYZSVEBNWWAF-GXSJLCMTSA-N 0 0 192.233 2.908 10 30 AFEERN CC(C)CCCCOCCCC=O 113325611 571861938 /nfs/dbraw/zinc/86/19/38/571861938.db2.gz DIVBNMIMYXODLC-UHFFFAOYSA-N 0 0 186.295 2.808 10 30 AFEERN CCCC(=O)C=C(O)CCC 111485280 571862053 /nfs/dbraw/zinc/86/20/53/571862053.db2.gz FCLPVKKIDAKMNL-BQYQJAHWSA-N 0 0 156.225 2.598 10 30 AFEERN CC(C)CCCCOC[C@@H](C)C=O 113325136 571862102 /nfs/dbraw/zinc/86/21/02/571862102.db2.gz IKKLMLBPCOABKR-NSHDSACASA-N 0 0 186.295 2.664 10 30 AFEERN C[C@@H]1CCC[C@@H](COC[C@]2(C)CO2)C1 300732831 571863327 /nfs/dbraw/zinc/86/33/27/571863327.db2.gz FGIVYCJHWMBNCV-IJLUTSLNSA-N 0 0 198.306 2.618 10 30 AFEERN CCCC(Cl)(C=O)CCC 206683979 571863431 /nfs/dbraw/zinc/86/34/31/571863431.db2.gz JZEMSACFOGMJQC-UHFFFAOYSA-N 0 0 162.660 2.763 10 30 AFEERN O=C[C@@H]1CC[C@H](c2ccc(F)cc2)C1 138970916 571863582 /nfs/dbraw/zinc/86/35/82/571863582.db2.gz DXJYZSVEBNWWAF-KOLCDFICSA-N 0 0 192.233 2.908 10 30 AFEERN O=C1C=C[C@@H]2CC[C@H]3CCCC[C@@]123 38916281 571863781 /nfs/dbraw/zinc/86/37/81/571863781.db2.gz CFXHYRGIIDBCCQ-SCVCMEIPSA-N 0 0 176.259 2.712 10 30 AFEERN C[C@]12C[C@H]1CC[C@]1(C)CC(=O)C=C21 38916285 571863897 /nfs/dbraw/zinc/86/38/97/571863897.db2.gz JNNCGKKVJAPVHU-FXAINCCUSA-N 0 0 176.259 2.712 10 30 AFEERN C[C@@H]1CCC[C@@H](COC[C@@]2(C)CO2)C1 300732832 571863931 /nfs/dbraw/zinc/86/39/31/571863931.db2.gz FGIVYCJHWMBNCV-UTUOFQBUSA-N 0 0 198.306 2.618 10 30 AFEERN C=C1C(=O)CCCC[C@@H]1CC 38915977 571863933 /nfs/dbraw/zinc/86/39/33/571863933.db2.gz MTDFCAXTQOHUNV-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN O=C[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 138970805 571864015 /nfs/dbraw/zinc/86/40/15/571864015.db2.gz DXJYZSVEBNWWAF-MWLCHTKSSA-N 0 0 192.233 2.908 10 30 AFEERN Cc1ccc2c(c1)[C@H](C#N)SCC2 6216497 571864148 /nfs/dbraw/zinc/86/41/48/571864148.db2.gz WSUJDCRAJCUTRC-NSHDSACASA-N 0 0 189.283 2.849 10 30 AFEERN N#Cc1sccc1N=[N+]=[N-] 38888408 571864268 /nfs/dbraw/zinc/86/42/68/571864268.db2.gz HYRXMCVNQZRLFR-UHFFFAOYSA-N 0 0 150.166 2.562 10 30 AFEERN C=C([C@H](C)C(C)=O)[Si](C)(C)C 196132122 571864318 /nfs/dbraw/zinc/86/43/18/571864318.db2.gz YVAIKDGWTKXYJC-SSDOTTSWSA-N 0 0 170.328 2.645 10 30 AFEERN SC/C=C\COC1CCCCC1 211618425 571864464 /nfs/dbraw/zinc/86/44/64/571864464.db2.gz YMPGJYSMCGKZQA-PLNGDYQASA-N 0 0 186.320 2.822 10 30 AFEERN CCCCCCCC[C@H](N)C#N 113331446 571864538 /nfs/dbraw/zinc/86/45/38/571864538.db2.gz ZVKKNLAVDMMKCU-JTQLQIEISA-N 0 0 168.284 2.588 10 30 AFEERN COCC[C@H](C)C(=O)C1=CCCCC1 234658949 571864553 /nfs/dbraw/zinc/86/45/53/571864553.db2.gz BHFAVEODUGUYLB-JTQLQIEISA-N 0 0 196.290 2.729 10 30 AFEERN C[C@@H](F)/C=C/C(=O)c1ccccc1 38973450 571866420 /nfs/dbraw/zinc/86/64/20/571866420.db2.gz HAFUPFHDLVBZLY-FCZSHJHJSA-N 0 0 178.206 2.784 10 30 AFEERN C[C@@H]1CCC[C@H](COC[C@@]2(C)CO2)C1 300732833 571864973 /nfs/dbraw/zinc/86/49/73/571864973.db2.gz FGIVYCJHWMBNCV-WOPDTQHZSA-N 0 0 198.306 2.618 10 30 AFEERN C/C=C1/C(=O)CCc2ccccc21 38949591 571865192 /nfs/dbraw/zinc/86/51/92/571865192.db2.gz ZCONOJRMQSLQCS-WTDSWWLTSA-N 0 0 172.227 2.605 10 30 AFEERN O=C[C@H]1CC[C@H](c2ccc(F)cc2)C1 138970747 571865284 /nfs/dbraw/zinc/86/52/84/571865284.db2.gz DXJYZSVEBNWWAF-ONGXEEELSA-N 0 0 192.233 2.908 10 30 AFEERN CCCCCCCC[C@@H](N)C#N 113331444 571865378 /nfs/dbraw/zinc/86/53/78/571865378.db2.gz ZVKKNLAVDMMKCU-SNVBAGLBSA-N 0 0 168.284 2.588 10 30 AFEERN C=C(C)/C=C\c1ccccc1O 144790893 571865412 /nfs/dbraw/zinc/86/54/12/571865412.db2.gz GOEOVWXAIQKSGH-FPLPWBNLSA-N 0 0 160.216 2.982 10 30 AFEERN C=C(CC)[C@H](C)C(=O)CC 196132246 571865526 /nfs/dbraw/zinc/86/55/26/571865526.db2.gz YMQGLIHXMWNRBH-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)C[C@@H]1C[C@H]2[C@@H](C1=O)C2(C)C 196123902 571870207 /nfs/dbraw/zinc/87/02/07/571870207.db2.gz TUOHRQUGDYZBRF-UTLUCORTSA-N 0 0 178.275 2.814 10 30 AFEERN C[C@H](F)/C=C/C(=O)c1ccccc1 38973449 571865832 /nfs/dbraw/zinc/86/58/32/571865832.db2.gz HAFUPFHDLVBZLY-FLOXNTQESA-N 0 0 178.206 2.784 10 30 AFEERN C[C@@H]1C=C(c2cccs2)C(=O)C1 38973457 571865987 /nfs/dbraw/zinc/86/59/87/571865987.db2.gz XEBFQJFBSVMWSC-SSDOTTSWSA-N 0 0 178.256 2.740 10 30 AFEERN O=C1CC[C@@H]2C1=CC[C@H]1CCC[C@@H]21 38973424 571866176 /nfs/dbraw/zinc/86/61/76/571866176.db2.gz DZQZWOHAZIOGJL-BBBLOLIVSA-N 0 0 176.259 2.712 10 30 AFEERN C=CC[C@@H]1C[C@@H]2CC[C@@]1(CO)CC2=C 139029550 571866257 /nfs/dbraw/zinc/86/62/57/571866257.db2.gz BTIOOIVSIYSWIX-XQQFMLRXSA-N 0 0 192.302 2.917 10 30 AFEERN C/C=C\[C@H]1C=C[C@H]2CCC[C@@H]2[C@H]1C=O 687806234 571866264 /nfs/dbraw/zinc/86/62/64/571866264.db2.gz KRODXGPGTHLLRU-LOPVOBOESA-N 0 0 190.286 2.980 10 30 AFEERN COCCCC(=O)C1=CC[C@@H](C)CC1 234664304 571866920 /nfs/dbraw/zinc/86/69/20/571866920.db2.gz MEFXUVFWWBQNHI-SNVBAGLBSA-N 0 0 196.290 2.729 10 30 AFEERN CCC1C[C@@](C)(CC)C(=O)C1=O 139049876 571866602 /nfs/dbraw/zinc/86/66/02/571866602.db2.gz NSSAUSYPYCXNEG-SNVBAGLBSA-N 0 0 168.236 2.598 10 30 AFEERN CC(=O)C1=C(C)C[C@@H]2[C@H](C1)C2(C)C 139046411 571867723 /nfs/dbraw/zinc/86/77/23/571867723.db2.gz QENZMTLEYUHTIL-MNOVXSKESA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)[C@H](C#N)[C@@H](O)c1ccccc1 38973775 571866570 /nfs/dbraw/zinc/86/65/70/571866570.db2.gz ZVICCGXBGYJYAH-RYUDHWBXSA-N 0 0 189.258 2.516 10 30 AFEERN Cc1ccc(C2=CC(=O)CCC2)o1 139055373 571866627 /nfs/dbraw/zinc/86/66/27/571866627.db2.gz AQVCUEVPHOGHDO-UHFFFAOYSA-N 0 0 176.215 2.724 10 30 AFEERN O=C1CC[C@@H]2C1=CC[C@@H]1CCC[C@H]12 38973425 571866632 /nfs/dbraw/zinc/86/66/32/571866632.db2.gz DZQZWOHAZIOGJL-AEJSXWLSSA-N 0 0 176.259 2.712 10 30 AFEERN CCC[C@H](C#N)[C@H](O)[C@H](C)CC(C)C 300736862 571866753 /nfs/dbraw/zinc/86/67/53/571866753.db2.gz AGDSKYHMHNEUCR-IJLUTSLNSA-N 0 0 197.322 2.969 10 30 AFEERN COCC[C@@H](C)C(=O)C1=CCCCC1 234665502 571866827 /nfs/dbraw/zinc/86/68/27/571866827.db2.gz BHFAVEODUGUYLB-SNVBAGLBSA-N 0 0 196.290 2.729 10 30 AFEERN CC1(C)CC2=CC(=O)CC[C@H]2C1 139087309 571872124 /nfs/dbraw/zinc/87/21/24/571872124.db2.gz BTRLALXKURYATI-QMMMGPOBSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)C1=C(C)C[C@H]2[C@@H](C1)C2(C)C 139046534 571867086 /nfs/dbraw/zinc/86/70/86/571867086.db2.gz QENZMTLEYUHTIL-WDEREUQCSA-N 0 0 178.275 2.958 10 30 AFEERN C#C[C@@H](Nc1cccc(C#N)c1)C(C)C 300738476 571867119 /nfs/dbraw/zinc/86/71/19/571867119.db2.gz AMRDIUIVEXLNFS-CYBMUJFWSA-N 0 0 198.269 2.628 10 30 AFEERN CCc1ccc(O[C@H](C)C#N)cc1 6371697 571867164 /nfs/dbraw/zinc/86/71/64/571867164.db2.gz TYIGKTYZYBPYHB-SECBINFHSA-N 0 0 175.231 2.540 10 30 AFEERN C=C(C)CCC(=O)[C@H]1CCOC[C@H]1C 301046129 571867167 /nfs/dbraw/zinc/86/71/67/571867167.db2.gz YICQNAQADJREKE-MNOVXSKESA-N 0 0 196.290 2.584 10 30 AFEERN C=C[C@H](O)CCC1CCCCC1 38855730 571867204 /nfs/dbraw/zinc/86/72/04/571867204.db2.gz QTVFXLREPZVVPK-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN COCCCC(=O)C1=CC[C@H](C)CC1 234664332 571867400 /nfs/dbraw/zinc/86/74/00/571867400.db2.gz MEFXUVFWWBQNHI-JTQLQIEISA-N 0 0 196.290 2.729 10 30 AFEERN Oc1cccc2c1CCCCC2 139066826 571872136 /nfs/dbraw/zinc/87/21/36/571872136.db2.gz LXVTYYMHLFYBND-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN C#C[C@H](Nc1cccc(C#N)c1)C(C)C 300738477 571867619 /nfs/dbraw/zinc/86/76/19/571867619.db2.gz AMRDIUIVEXLNFS-ZDUSSCGKSA-N 0 0 198.269 2.628 10 30 AFEERN CC(C)[C@H](C#N)[C@H](O)c1ccccc1 39018015 571870082 /nfs/dbraw/zinc/87/00/82/571870082.db2.gz ZVICCGXBGYJYAH-NWDGAFQWSA-N 0 0 189.258 2.516 10 30 AFEERN CC/C=C/C(=O)c1ccnn1C(C)C 300738750 571867727 /nfs/dbraw/zinc/86/77/27/571867727.db2.gz HBVIMIHDRAPXIM-AATRIKPKSA-N 0 0 192.262 2.613 10 30 AFEERN C[C@H]1CCC(=O)C2=CCCC[C@@H]21 39017427 571867859 /nfs/dbraw/zinc/86/78/59/571867859.db2.gz KUHVSJDIQICKFN-DTWKUNHWSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1Cc2c(CC#N)cccc2S1 214578296 571870095 /nfs/dbraw/zinc/87/00/95/571870095.db2.gz NFWPOJKDKDQXBK-MRVPVSSYSA-N 0 0 189.283 2.789 10 30 AFEERN COCCCC(=O)C=C1CCCCC1 234664564 571868222 /nfs/dbraw/zinc/86/82/22/571868222.db2.gz YLGKAQIHXGDQAE-UHFFFAOYSA-N 0 0 196.290 2.873 10 30 AFEERN C=C(C)CCC(=O)[C@@H]1CCOC[C@@H]1C 301046131 571868363 /nfs/dbraw/zinc/86/83/63/571868363.db2.gz YICQNAQADJREKE-WDEREUQCSA-N 0 0 196.290 2.584 10 30 AFEERN C=C=CC(=O)c1cccc(Cl)c1 38996087 571868419 /nfs/dbraw/zinc/86/84/19/571868419.db2.gz QVCOOTDMCYZRDD-UHFFFAOYSA-N 0 0 178.618 2.864 10 30 AFEERN CC(C)=CC(=O)/C=C/C(C)C 139030100 571868450 /nfs/dbraw/zinc/86/84/50/571868450.db2.gz GEGAHQXLGLJTAJ-AATRIKPKSA-N 0 0 152.237 2.734 10 30 AFEERN C=C1CCC(=O)C[C@H]2C[C@@H]1C2(C)C 139059614 571868552 /nfs/dbraw/zinc/86/85/52/571868552.db2.gz UJCFJJVISDCPSF-ONGXEEELSA-N 0 0 178.275 2.958 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)[C@H](C)CC(C)C 300736867 571868851 /nfs/dbraw/zinc/86/88/51/571868851.db2.gz AGDSKYHMHNEUCR-UTUOFQBUSA-N 0 0 197.322 2.969 10 30 AFEERN C=C(C)CCC(=O)[C@H]1CCOC[C@@H]1C 301046130 571868969 /nfs/dbraw/zinc/86/89/69/571868969.db2.gz YICQNAQADJREKE-QWRGUYRKSA-N 0 0 196.290 2.584 10 30 AFEERN C=CC1(CC=O)CCC(=C)CC1 139087175 571872164 /nfs/dbraw/zinc/87/21/64/571872164.db2.gz OMYPINGMLLLIII-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@@H](O)CCC1CCCCC1 38855732 571869031 /nfs/dbraw/zinc/86/90/31/571869031.db2.gz QTVFXLREPZVVPK-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)[C@@H](C)CC(C)C 300736865 571869180 /nfs/dbraw/zinc/86/91/80/571869180.db2.gz AGDSKYHMHNEUCR-TUAOUCFPSA-N 0 0 197.322 2.969 10 30 AFEERN C=C(C)[C@H](C)[C@@H](O)c1ccccc1 139095975 571872176 /nfs/dbraw/zinc/87/21/76/571872176.db2.gz HDCNWWBNSUZFHM-CMPLNLGQSA-N 0 0 176.259 2.932 10 30 AFEERN C=CCCCCC[C@H](O)CCOC 234663857 571869579 /nfs/dbraw/zinc/86/95/79/571869579.db2.gz VHCGVEDBARKNGE-NSHDSACASA-N 0 0 186.295 2.520 10 30 AFEERN C[C@@H]1Cc2cc(CC#N)ccc2S1 214579238 571869586 /nfs/dbraw/zinc/86/95/86/571869586.db2.gz DQYFIRIYQXUACT-MRVPVSSYSA-N 0 0 189.283 2.789 10 30 AFEERN C=C[C@@H]1[C@@H](O)[C@H](C(C)C)CC[C@H]1C 139066847 571869679 /nfs/dbraw/zinc/86/96/79/571869679.db2.gz CEFHJLWKMKTHEF-NOOOWODRSA-N 0 0 182.307 2.852 10 30 AFEERN CCCCC#C[C@H]1CCCC[C@@H]1O 139098104 571871260 /nfs/dbraw/zinc/87/12/60/571871260.db2.gz ULKNPTNGJHCWMK-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN CC[C@@H](C#N)c1ccc(C#N)cc1 39017532 571870017 /nfs/dbraw/zinc/87/00/17/571870017.db2.gz VFFMMENNQNYOBX-JTQLQIEISA-N 0 0 170.215 2.575 10 30 AFEERN C[C@H]1Cc2ccc(CC#N)cc2S1 214578215 571870063 /nfs/dbraw/zinc/87/00/63/571870063.db2.gz XXKRIWLDRHNQPX-QMMMGPOBSA-N 0 0 189.283 2.789 10 30 AFEERN CC1(C)CC2=CC(=O)CC[C@@H]2C1 139087454 571870230 /nfs/dbraw/zinc/87/02/30/571870230.db2.gz BTRLALXKURYATI-MRVPVSSYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C(=O)/C=C/C)c1ccccc1 196126946 571870381 /nfs/dbraw/zinc/87/03/81/571870381.db2.gz DFRRMAXWZKWUME-XVNBXDOJSA-N 0 0 172.227 2.845 10 30 AFEERN C=C=CC(=O)c1ccc(Cl)cc1 39017717 571870404 /nfs/dbraw/zinc/87/04/04/571870404.db2.gz VHNHNKRYBHXBBT-UHFFFAOYSA-N 0 0 178.618 2.864 10 30 AFEERN N#CCc1ccc2c(c1)SCCC2 214579156 571870521 /nfs/dbraw/zinc/87/05/21/571870521.db2.gz RTQHWQRCPNILGN-UHFFFAOYSA-N 0 0 189.283 2.791 10 30 AFEERN C=CC[C@](C)(O)C1CCCC1 39044294 571870645 /nfs/dbraw/zinc/87/06/45/571870645.db2.gz ZLXUMZSXLZDMGF-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN CC(C)C[C@@H](C)[C@H](O)C(C)(C)C#N 300739545 571870664 /nfs/dbraw/zinc/87/06/64/571870664.db2.gz ARZSZPLDJCHDIN-ZJUUUORDSA-N 0 0 183.295 2.579 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C(=C)C)C1=O 139091372 571870669 /nfs/dbraw/zinc/87/06/69/571870669.db2.gz OJZOQYIFPRQRKS-UWVGGRQHSA-N 0 0 164.248 2.734 10 30 AFEERN C#Cc1ccccc1C(=O)C(C)C 196127950 571870692 /nfs/dbraw/zinc/87/06/92/571870692.db2.gz FKBJIQLAJOSZHP-UHFFFAOYSA-N 0 0 172.227 2.507 10 30 AFEERN N#CCc1ccc2c(c1)CCCS2 214579080 571870724 /nfs/dbraw/zinc/87/07/24/571870724.db2.gz IFYTZVLBUYPGTN-UHFFFAOYSA-N 0 0 189.283 2.791 10 30 AFEERN C=C1CCCc2ccccc2C1=O 196127640 571870894 /nfs/dbraw/zinc/87/08/94/571870894.db2.gz MTMUOMNRRJHULQ-UHFFFAOYSA-N 0 0 172.227 2.762 10 30 AFEERN N#CCCC1=CCCc2ncccc21 39038873 571870900 /nfs/dbraw/zinc/87/09/00/571870900.db2.gz UEYFHQZDCXMMLE-UHFFFAOYSA-N 0 0 184.242 2.715 10 30 AFEERN COCCCC(=O)C1=CCCCCC1 234664223 571870935 /nfs/dbraw/zinc/87/09/35/571870935.db2.gz BIIKLNYHFAXGJZ-UHFFFAOYSA-N 0 0 196.290 2.873 10 30 AFEERN N#CCc1cccc2c1SCCC2 214579368 571870979 /nfs/dbraw/zinc/87/09/79/571870979.db2.gz HEDKXUWXLGLAPL-UHFFFAOYSA-N 0 0 189.283 2.791 10 30 AFEERN C[C@H]1Cc2cccc(CC#N)c2S1 214578088 571871155 /nfs/dbraw/zinc/87/11/55/571871155.db2.gz IQYMSSYFYNBCPD-QMMMGPOBSA-N 0 0 189.283 2.789 10 30 AFEERN N#CCc1cccc2c1CCCS2 214578431 571871167 /nfs/dbraw/zinc/87/11/67/571871167.db2.gz BEGNOVVLXZONAL-UHFFFAOYSA-N 0 0 189.283 2.791 10 30 AFEERN C[C@@H]1Cc2ccc(CC#N)cc2S1 214578168 571871387 /nfs/dbraw/zinc/87/13/87/571871387.db2.gz XXKRIWLDRHNQPX-MRVPVSSYSA-N 0 0 189.283 2.789 10 30 AFEERN N#Cc1cccc2c(F)cc(F)cc12 139081810 571871470 /nfs/dbraw/zinc/87/14/70/571871470.db2.gz QICXDHUGNQMMCE-UHFFFAOYSA-N 0 0 189.164 2.990 10 30 AFEERN C=C(C)[C@H]1C[C@H](CCO)C1(C)C 196382194 571871492 /nfs/dbraw/zinc/87/14/92/571871492.db2.gz GTVZDQZYQRFSAM-VHSXEESVSA-N 0 0 168.280 2.607 10 30 AFEERN C=C(C)[C@@H](C)[C@@H](O)c1ccccc1 139095869 571871548 /nfs/dbraw/zinc/87/15/48/571871548.db2.gz HDCNWWBNSUZFHM-ZYHUDNBSSA-N 0 0 176.259 2.932 10 30 AFEERN CC(C)C[C@@H](C)[C@@H](O)C(C)(C)C#N 300739540 571871599 /nfs/dbraw/zinc/87/15/99/571871599.db2.gz ARZSZPLDJCHDIN-NXEZZACHSA-N 0 0 183.295 2.579 10 30 AFEERN C=CC[C@@](C)(O)C1CCCC1 39044293 571871643 /nfs/dbraw/zinc/87/16/43/571871643.db2.gz ZLXUMZSXLZDMGF-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN CC(C)C[C@H](C)[C@@H](O)C(C)(C)C#N 300739543 571871840 /nfs/dbraw/zinc/87/18/40/571871840.db2.gz ARZSZPLDJCHDIN-VHSXEESVSA-N 0 0 183.295 2.579 10 30 AFEERN C[C@H]1Cc2c(CC#N)cccc2S1 214578349 571872005 /nfs/dbraw/zinc/87/20/05/571872005.db2.gz NFWPOJKDKDQXBK-QMMMGPOBSA-N 0 0 189.283 2.789 10 30 AFEERN CC1=CC(=O)[C@]2(CC=C[C@@H]2C)CC1 39038645 571872109 /nfs/dbraw/zinc/87/21/09/571872109.db2.gz CRVKFRWQZNJRRT-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)[C@H](C)[C@H](O)c1ccccc1 139095759 571872205 /nfs/dbraw/zinc/87/22/05/571872205.db2.gz HDCNWWBNSUZFHM-JQWIXIFHSA-N 0 0 176.259 2.932 10 30 AFEERN C=C(CS)COCC(CC)CC 300740244 571872363 /nfs/dbraw/zinc/87/23/63/571872363.db2.gz AICXRULGAGJSTG-UHFFFAOYSA-N 0 0 188.336 2.925 10 30 AFEERN CC[C@@H](O)CCCC#CC(C)(C)C 300741343 571872849 /nfs/dbraw/zinc/87/28/49/571872849.db2.gz IMMDOGGTVYYZAG-LLVKDONJSA-N 0 0 182.307 2.977 10 30 AFEERN C=CC[C@H](CCCC(C)(C)C)NN 300749349 571873105 /nfs/dbraw/zinc/87/31/05/571873105.db2.gz QQEZCHLEUFYPKU-SNVBAGLBSA-N 0 0 184.327 2.611 10 30 AFEERN CC1=C(C(=O)C(F)(F)F)CCC1 39054898 571873154 /nfs/dbraw/zinc/87/31/54/571873154.db2.gz RCXQKCIQVRRYMQ-UHFFFAOYSA-N 0 0 178.153 2.618 10 30 AFEERN C=C1C[C@@H]2CC[C@H](C1)CC(=O)C2 196133027 571873508 /nfs/dbraw/zinc/87/35/08/571873508.db2.gz MRLZHLRENVFNJP-AOOOYVTPSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@H](O)CCCC#CC(C)(C)C 300741345 571873510 /nfs/dbraw/zinc/87/35/10/571873510.db2.gz IMMDOGGTVYYZAG-NSHDSACASA-N 0 0 182.307 2.977 10 30 AFEERN CCCCCCC#CCCC(=O)OC 205459515 571873514 /nfs/dbraw/zinc/87/35/14/571873514.db2.gz UINLWSZTEQDITI-UHFFFAOYSA-N 0 0 196.290 2.913 10 30 AFEERN C=CCCC[C@H](O)[C@@H](C)CSC 300749617 571873602 /nfs/dbraw/zinc/87/36/02/571873602.db2.gz FVHZRRYEZVPPTA-UWVGGRQHSA-N 0 0 188.336 2.703 10 30 AFEERN COc1ccc(CCCC=O)c(C)c1 205477248 571873725 /nfs/dbraw/zinc/87/37/25/571873725.db2.gz JMJJBXBZJRHYNL-UHFFFAOYSA-N 0 0 192.258 2.525 10 30 AFEERN C=C(CC)[C@@H](C)C(=O)CC 196132240 571873976 /nfs/dbraw/zinc/87/39/76/571873976.db2.gz YMQGLIHXMWNRBH-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@@H](CCCC(C)(C)C)NN 300749348 571874006 /nfs/dbraw/zinc/87/40/06/571874006.db2.gz QQEZCHLEUFYPKU-JTQLQIEISA-N 0 0 184.327 2.611 10 30 AFEERN CCC(CC)CO[C@@H](C#N)CC 300750424 571874057 /nfs/dbraw/zinc/87/40/57/571874057.db2.gz GJHKQLWQNROZAO-SNVBAGLBSA-N 0 0 169.268 2.741 10 30 AFEERN C=C([C@@H](C)C(C)=O)[Si](C)(C)C 196132116 571874140 /nfs/dbraw/zinc/87/41/40/571874140.db2.gz YVAIKDGWTKXYJC-ZETCQYMHSA-N 0 0 170.328 2.645 10 30 AFEERN CC(=O)C=C=C1CCCCC1 39049920 571874203 /nfs/dbraw/zinc/87/42/03/571874203.db2.gz DTXSABZVVVADOI-UHFFFAOYSA-N 0 0 150.221 2.621 10 30 AFEERN C=CCCC[C@@H](O)[C@H](C)CSC 300749616 571874262 /nfs/dbraw/zinc/87/42/62/571874262.db2.gz FVHZRRYEZVPPTA-NXEZZACHSA-N 0 0 188.336 2.703 10 30 AFEERN Cc1ccc(C(=O)C(F)=CO)cc1 39054882 571874286 /nfs/dbraw/zinc/87/42/86/571874286.db2.gz CSEJZFWJZKVIQD-TWGQIWQCSA-N 0 0 180.178 2.547 10 30 AFEERN CCCC[C@H](O)CC#CC(C)(C)C 300748599 571874497 /nfs/dbraw/zinc/87/44/97/571874497.db2.gz KFMQGUMZLVERAB-NSHDSACASA-N 0 0 182.307 2.977 10 30 AFEERN C[C@H]1CC[C@H](C=O)C(C)(C)C1 39062590 571875956 /nfs/dbraw/zinc/87/59/56/571875956.db2.gz YWXSDBNBMZQLCA-DTWKUNHWSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)N(CC#N)CC1CCCCC1 70715155 571874884 /nfs/dbraw/zinc/87/48/84/571874884.db2.gz JJOQYEOLHFKMKJ-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN C=CCCC[C@H](O)[C@H](C)CSC 300749619 571875115 /nfs/dbraw/zinc/87/51/15/571875115.db2.gz FVHZRRYEZVPPTA-ZJUUUORDSA-N 0 0 188.336 2.703 10 30 AFEERN CCCC[C@@H](O)CC#CC(C)(C)C 300748598 571875147 /nfs/dbraw/zinc/87/51/47/571875147.db2.gz KFMQGUMZLVERAB-LLVKDONJSA-N 0 0 182.307 2.977 10 30 AFEERN CCCCC[C@@H]1CC[C@@H]1C=O 39062596 571875792 /nfs/dbraw/zinc/87/57/92/571875792.db2.gz HPOBTFFGCYCNCL-NXEZZACHSA-N 0 0 154.253 2.792 10 30 AFEERN C[C@H]1CC[C@@H](C=O)C(C)(C)C1 39062594 571875960 /nfs/dbraw/zinc/87/59/60/571875960.db2.gz YWXSDBNBMZQLCA-IUCAKERBSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@H]1CCC[C@H](COCCS)C1 300745484 571876118 /nfs/dbraw/zinc/87/61/18/571876118.db2.gz CKWAMQNRYRQKQO-UWVGGRQHSA-N 0 0 188.336 2.759 10 30 AFEERN CCCCCC[C@@H]1C[C@H]1C=O 39062524 571876253 /nfs/dbraw/zinc/87/62/53/571876253.db2.gz KUARKXUORYRPPP-ZJUUUORDSA-N 0 0 154.253 2.792 10 30 AFEERN Cc1cc(C#CC(C)(C)C)ccc1N 714057875 571876357 /nfs/dbraw/zinc/87/63/57/571876357.db2.gz ZNXYQTCLXPZTFJ-UHFFFAOYSA-N 0 0 187.286 2.975 10 30 AFEERN CC1(C)CCC[C@](C)(C=O)C1 39062687 571876372 /nfs/dbraw/zinc/87/63/72/571876372.db2.gz KLGVMAOTGZZWMM-JTQLQIEISA-N 0 0 154.253 2.792 10 30 AFEERN C[C@@H]1CC[C@@H](C=O)C(C)(C)C1 39062592 571876598 /nfs/dbraw/zinc/87/65/98/571876598.db2.gz YWXSDBNBMZQLCA-BDAKNGLRSA-N 0 0 154.253 2.648 10 30 AFEERN Cc1ccccc1OC/C=C\CS 211619690 571876707 /nfs/dbraw/zinc/87/67/07/571876707.db2.gz IBLWODZVZOLCIP-PLNGDYQASA-N 0 0 194.299 2.860 10 30 AFEERN C[C@@H]1CCC[C@@H](COCCS)C1 300745483 571876746 /nfs/dbraw/zinc/87/67/46/571876746.db2.gz CKWAMQNRYRQKQO-NXEZZACHSA-N 0 0 188.336 2.759 10 30 AFEERN C[C@@H]1CCC[C@H](COCCS)C1 300745486 571876836 /nfs/dbraw/zinc/87/68/36/571876836.db2.gz CKWAMQNRYRQKQO-ZJUUUORDSA-N 0 0 188.336 2.759 10 30 AFEERN C=CCSc1nccc(C)c1C#N 6896094 571877011 /nfs/dbraw/zinc/87/70/11/571877011.db2.gz XPCSKOQIONFKPS-UHFFFAOYSA-N 0 0 190.271 2.540 10 30 AFEERN CC(C)C1=C[C@@](C)(C=O)CC1 39062232 571877109 /nfs/dbraw/zinc/87/71/09/571877109.db2.gz KZLAXNQFAQDYDL-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1CCC[C@@H](COCCS)C1 300745485 571877281 /nfs/dbraw/zinc/87/72/81/571877281.db2.gz CKWAMQNRYRQKQO-VHSXEESVSA-N 0 0 188.336 2.759 10 30 AFEERN Fc1ccccc1OC/C=C\CS 211620583 571877474 /nfs/dbraw/zinc/87/74/74/571877474.db2.gz APVOLSUOYPQHJR-ARJAWSKDSA-N 0 0 198.262 2.691 10 30 AFEERN CC1=CCC[C@H](C)[C@@]1(C)C=O 39062316 571877592 /nfs/dbraw/zinc/87/75/92/571877592.db2.gz JWBBVURJYSGHMN-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN CCCCC1=C(C(C)=O)CC1 39069873 571877827 /nfs/dbraw/zinc/87/78/27/571877827.db2.gz ZVDDBASJKSQYOZ-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CCC/C(=C\C(C)=O)CC 39069048 571878097 /nfs/dbraw/zinc/87/80/97/571878097.db2.gz MCNHFDAOCWJZMS-CLFYSBASSA-N 0 0 140.226 2.712 10 30 AFEERN CC1=C(C)C(=O)CC(C)(C)C1 39074181 571878931 /nfs/dbraw/zinc/87/89/31/571878931.db2.gz IGQXORINWHZSBK-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)=CCC[C@]1(C)O[C@H]1CCC=O 211620019 571879173 /nfs/dbraw/zinc/87/91/73/571879173.db2.gz RFUYVQIKZOOBBE-RYUDHWBXSA-N 0 0 196.290 2.869 10 30 AFEERN Fc1cccc(OC/C=C\CS)c1 211619826 571879180 /nfs/dbraw/zinc/87/91/80/571879180.db2.gz JVSHZGDGZCLWGO-UPHRSURJSA-N 0 0 198.262 2.691 10 30 AFEERN C=CC[C@@H](C[C@H](CC)C(C)(C)C)NN 711060890 571879449 /nfs/dbraw/zinc/87/94/49/571879449.db2.gz DNMMLOGVLJCLAX-QWRGUYRKSA-N 0 0 198.354 2.857 10 30 AFEERN C=CC[C@H](C[C@H](CC)C(C)(C)C)NN 711060894 571879634 /nfs/dbraw/zinc/87/96/34/571879634.db2.gz DNMMLOGVLJCLAX-WDEREUQCSA-N 0 0 198.354 2.857 10 30 AFEERN C[C@H](C#N)C(=O)CCC(C)(C)C 300751696 571880267 /nfs/dbraw/zinc/88/02/67/571880267.db2.gz HDZNKBVWQGOFKA-MRVPVSSYSA-N 0 0 167.252 2.541 10 30 AFEERN C[C@@H](C#N)C(=O)CCC(C)(C)C 300751697 571880287 /nfs/dbraw/zinc/88/02/87/571880287.db2.gz HDZNKBVWQGOFKA-QMMMGPOBSA-N 0 0 167.252 2.541 10 30 AFEERN C=CC[C@@H](C[C@@H](CC)C(C)(C)C)NN 711060886 571880475 /nfs/dbraw/zinc/88/04/75/571880475.db2.gz DNMMLOGVLJCLAX-MNOVXSKESA-N 0 0 198.354 2.857 10 30 AFEERN COC[C@@H](C)CC(=O)C1=CCCCC1 234683044 571880486 /nfs/dbraw/zinc/88/04/86/571880486.db2.gz NCNKBWSGIWPKTF-JTQLQIEISA-N 0 0 196.290 2.729 10 30 AFEERN CC(=O)/C=C\c1sccc1C 207237542 571880521 /nfs/dbraw/zinc/88/05/21/571880521.db2.gz UVUNLUJLQHILSW-ARJAWSKDSA-N 0 0 166.245 2.659 10 30 AFEERN C=C[C@@H](C)[C@H](O)[C@H](C)CC(C)C 34596569 571881191 /nfs/dbraw/zinc/88/11/91/571881191.db2.gz VCJXOUMTYYBVEK-MXWKQRLJSA-N 0 0 170.296 2.852 10 30 AFEERN C#CCC[C@@H](O)CCC(C)(C)C 300757219 571881479 /nfs/dbraw/zinc/88/14/79/571881479.db2.gz KKSSEWXVNZQZLF-SNVBAGLBSA-N 0 0 168.280 2.587 10 30 AFEERN C=C(C)CC[C@H](O)[C@@H](C)CSC 300757383 571881568 /nfs/dbraw/zinc/88/15/68/571881568.db2.gz KPRRVNVFTFPJOM-UWVGGRQHSA-N 0 0 188.336 2.703 10 30 AFEERN CC(C)OC1=CC(=O)CC(C)(C)C1 39074720 571881816 /nfs/dbraw/zinc/88/18/16/571881816.db2.gz ZYWZJNJHIGBNMC-UHFFFAOYSA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)CC[C@@H](O)[C@@H](C)CSC 300757385 571882131 /nfs/dbraw/zinc/88/21/31/571882131.db2.gz KPRRVNVFTFPJOM-VHSXEESVSA-N 0 0 188.336 2.703 10 30 AFEERN C=CC[C@H](O)c1cnc(C2CC2)s1 687874774 571882149 /nfs/dbraw/zinc/88/21/49/571882149.db2.gz BENSGFUXUQKMMQ-QMMMGPOBSA-N 0 0 195.287 2.630 10 30 AFEERN C=C(C)CC(C)(C)CC(C)=O 17412533 571882204 /nfs/dbraw/zinc/88/22/04/571882204.db2.gz WCLUYETYLZYJLS-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(C)CC[C@@H](O)[C@H](C)CSC 300757382 571882627 /nfs/dbraw/zinc/88/26/27/571882627.db2.gz KPRRVNVFTFPJOM-NXEZZACHSA-N 0 0 188.336 2.703 10 30 AFEERN C=CC(C)(C)[C@H](O)C(C)(C)C 17431133 571882242 /nfs/dbraw/zinc/88/22/42/571882242.db2.gz IJSRRZCNARQPEQ-MRVPVSSYSA-N 0 0 156.269 2.606 10 30 AFEERN C=C(C)CC[C@H](O)[C@H](C)CSC 300757388 571882635 /nfs/dbraw/zinc/88/26/35/571882635.db2.gz KPRRVNVFTFPJOM-ZJUUUORDSA-N 0 0 188.336 2.703 10 30 AFEERN C=CC[C@@H](O)c1cnc(C2CC2)s1 687874772 571882473 /nfs/dbraw/zinc/88/24/73/571882473.db2.gz BENSGFUXUQKMMQ-MRVPVSSYSA-N 0 0 195.287 2.630 10 30 AFEERN C=CCC[C@H](O)c1ncc(C)cc1C 227562496 571883090 /nfs/dbraw/zinc/88/30/90/571883090.db2.gz ALVUJCRAADJVBZ-NSHDSACASA-N 0 0 191.274 2.698 10 30 AFEERN C(CCC1CCOCC1)CC[C@H]1CO1 300755391 571882713 /nfs/dbraw/zinc/88/27/13/571882713.db2.gz MIUYMSFLCQNXKQ-LBPRGKRZSA-N 0 0 198.306 2.762 10 30 AFEERN C=C(CCC=O)c1ccccc1 34596441 571882883 /nfs/dbraw/zinc/88/28/83/571882883.db2.gz KFYPPNXDGOVEDR-UHFFFAOYSA-N 0 0 160.216 2.679 10 30 AFEERN C=CC(C)(C)[C@@H](O)C(C)(C)C 17431136 571883049 /nfs/dbraw/zinc/88/30/49/571883049.db2.gz IJSRRZCNARQPEQ-QMMMGPOBSA-N 0 0 156.269 2.606 10 30 AFEERN C=CCC(C)(C)/C=C/[C@H](C)O 17462919 571883147 /nfs/dbraw/zinc/88/31/47/571883147.db2.gz QAADDDWRTRUWNS-ORZBULNSSA-N 0 0 154.253 2.526 10 30 AFEERN C#CCC[C@H](O)CCC(C)(C)C 300757217 571883290 /nfs/dbraw/zinc/88/32/90/571883290.db2.gz KKSSEWXVNZQZLF-JTQLQIEISA-N 0 0 168.280 2.587 10 30 AFEERN C(CCC1CCOCC1)CC[C@@H]1CO1 300755389 571883373 /nfs/dbraw/zinc/88/33/73/571883373.db2.gz MIUYMSFLCQNXKQ-GFCCVEGCSA-N 0 0 198.306 2.762 10 30 AFEERN C=C(CC(=O)C(C)(C)C)C1CC1 34596501 571883515 /nfs/dbraw/zinc/88/35/15/571883515.db2.gz WVQLFYUCSQKSHZ-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN N#C[C@H]1CCCCN1CCCCCF 388661604 571883962 /nfs/dbraw/zinc/88/39/62/571883962.db2.gz AFIHFIXIUQZTGV-LLVKDONJSA-N 0 0 198.285 2.504 10 30 AFEERN C#CCCC(=O)[C@@H](C)c1ccccc1 235410274 571884429 /nfs/dbraw/zinc/88/44/29/571884429.db2.gz FMWQCECIAQOLMM-NSHDSACASA-N 0 0 186.254 2.773 10 30 AFEERN C=CC(=O)NCC1(C2CC2)CCC1 328597476 571887002 /nfs/dbraw/zinc/88/70/02/571887002.db2.gz HRPKZMNLQQPHNI-UHFFFAOYSA-N 0 0 179.263 2.709 10 30 AFEERN COC[C@H](C)CC(=O)C1=CCCCC1 234686775 571886263 /nfs/dbraw/zinc/88/62/63/571886263.db2.gz NCNKBWSGIWPKTF-SNVBAGLBSA-N 0 0 196.290 2.729 10 30 AFEERN C=CC(C)(C)C(=O)C(C)(C)C 17434389 571886303 /nfs/dbraw/zinc/88/63/03/571886303.db2.gz CCBYZJPYOLJUGQ-UHFFFAOYSA-N 0 0 154.253 2.814 10 30 AFEERN C=C(/C=C\c1ccccc1)CCO 34596635 571886454 /nfs/dbraw/zinc/88/64/54/571886454.db2.gz PPGNAUDDVUUZHS-FPLPWBNLSA-N 0 0 174.243 2.638 10 30 AFEERN CC(C)C1=CC(=O)CC[C@@H]1C 39103103 571886665 /nfs/dbraw/zinc/88/66/65/571886665.db2.gz MSFIFKKMQXGGGT-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CC(=O)C[C@@]1(C)C(C)C 39103147 571886811 /nfs/dbraw/zinc/88/68/11/571886811.db2.gz FPTLWNPHWWQJTB-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN CCCC/C=C\[C@H](C=O)[C@@H](C)OCC 210357963 571886819 /nfs/dbraw/zinc/88/68/19/571886819.db2.gz GORHZDGAMHFQIF-DSWQZHNZSA-N 0 0 198.306 2.973 10 30 AFEERN CCC(=CC(=O)[C@H](C)COC)CC 686226122 571886850 /nfs/dbraw/zinc/88/68/50/571886850.db2.gz BJHOKTCMKAVNME-SECBINFHSA-N 0 0 184.279 2.584 10 30 AFEERN CCC(=CC(=O)[C@@H](C)COC)CC 686226124 571887203 /nfs/dbraw/zinc/88/72/03/571887203.db2.gz BJHOKTCMKAVNME-VIFPVBQESA-N 0 0 184.279 2.584 10 30 AFEERN CC(C)[C@@H]1CC[C@@](C)(C#N)C1 39103060 571887026 /nfs/dbraw/zinc/88/70/26/571887026.db2.gz NNADYLRREIUUGE-NXEZZACHSA-N 0 0 151.253 2.972 10 30 AFEERN C=C(C)C(C)(C)C(=O)C(C)C 17492363 571887032 /nfs/dbraw/zinc/88/70/32/571887032.db2.gz GMPITEYGIDSFPZ-UHFFFAOYSA-N 0 0 154.253 2.814 10 30 AFEERN CC1=CC(=O)C[C@]1(C)C(C)C 39103148 571887170 /nfs/dbraw/zinc/88/71/70/571887170.db2.gz FPTLWNPHWWQJTB-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@](O)(CC=O)CCC1CCCCC1 300758891 571887189 /nfs/dbraw/zinc/88/71/89/571887189.db2.gz NFVCTOKKQSJXIY-LBPRGKRZSA-N 0 0 198.306 2.687 10 30 AFEERN CC(C)[C@@H]1CCC=CC(=O)C1 39103120 571887664 /nfs/dbraw/zinc/88/76/64/571887664.db2.gz YEYNPXBTBGDGJQ-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)CNc1ccccc1N(C)C 234261402 571888084 /nfs/dbraw/zinc/88/80/84/571888084.db2.gz FMDSGAQPAGIUBA-UHFFFAOYSA-N 0 0 190.290 2.741 10 30 AFEERN CC(C)C1(C#N)C=CC=CC=C1 39103628 571888128 /nfs/dbraw/zinc/88/81/28/571888128.db2.gz HKMOBMQMDHFHEE-UHFFFAOYSA-N 0 0 159.232 2.835 10 30 AFEERN CC(C)C1=CC(=O)CC1(C)C 39103149 571888218 /nfs/dbraw/zinc/88/82/18/571888218.db2.gz MBEIWCBTCWIEOK-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)C1CCC(=NO)CC1 39103366 571888381 /nfs/dbraw/zinc/88/83/81/571888381.db2.gz SKDFIEXQBHUNIU-UHFFFAOYSA-N 0 0 155.241 2.663 10 30 AFEERN CC(C)[C@@H]1CC[C@](C)(C#N)C1 39103062 571888472 /nfs/dbraw/zinc/88/84/72/571888472.db2.gz NNADYLRREIUUGE-ZJUUUORDSA-N 0 0 151.253 2.972 10 30 AFEERN C=C[C@H](O)C/C=C/c1ccccc1 34599307 571889188 /nfs/dbraw/zinc/88/91/88/571889188.db2.gz HLUQQOCNAVPDKU-LZGFCCKTSA-N 0 0 174.243 2.637 10 30 AFEERN C=CC/C=C\c1ccccc1N 34599125 571888602 /nfs/dbraw/zinc/88/86/02/571888602.db2.gz SZIOSCUXFBMRSV-DAXSKMNVSA-N 0 0 159.232 2.858 10 30 AFEERN C=C(C)C(C)(C)C[C@@H](O)CC 17505004 571888694 /nfs/dbraw/zinc/88/86/94/571888694.db2.gz ZVVFLUBZSLHBHU-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN CC1=C(C)[C@@H](C(C)C)CCC1=O 39104069 571888783 /nfs/dbraw/zinc/88/87/83/571888783.db2.gz DZVJAHTWRFBYCN-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCC[C@H]1CCC=CC1=O 34599168 571888867 /nfs/dbraw/zinc/88/88/67/571888867.db2.gz XZZZUTQWNQSTRL-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)[C@@H]1C[C@H](CCO)C1(C)C 196382182 571888911 /nfs/dbraw/zinc/88/89/11/571888911.db2.gz GTVZDQZYQRFSAM-UWVGGRQHSA-N 0 0 168.280 2.607 10 30 AFEERN CC1=CC[C@@H](C(C)C)[C@H](C)C1=O 39104082 571889143 /nfs/dbraw/zinc/88/91/43/571889143.db2.gz DLLLUPGDYWIXGK-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)C1=C[C@](C)(CC=O)CC1 39104066 571889260 /nfs/dbraw/zinc/88/92/60/571889260.db2.gz BJFJASKDVFEAIB-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)C1=CC(=O)C[C@H](C)CC1 39104091 571889283 /nfs/dbraw/zinc/88/92/83/571889283.db2.gz QKUDYLNAEFCJFS-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C[C@@H](C)CC)C(=O)CC 34599071 571889326 /nfs/dbraw/zinc/88/93/26/571889326.db2.gz FGKPJHIQXIJZOS-QMMMGPOBSA-N 0 0 154.253 2.958 10 30 AFEERN CC(C)[C@]12C=CCC=C1C=CC2=O 39104792 571889434 /nfs/dbraw/zinc/88/94/34/571889434.db2.gz CXQHHNOMNOFIEW-GFCCVEGCSA-N 0 0 174.243 2.654 10 30 AFEERN C=CCCC[C@@H]1CCC=CC1=O 34599167 571889575 /nfs/dbraw/zinc/88/95/75/571889575.db2.gz XZZZUTQWNQSTRL-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN CC1=C(C)C(=O)C[C@H](C(C)C)C1 39104087 571889656 /nfs/dbraw/zinc/88/96/56/571889656.db2.gz PDQQIBLPWNQPKK-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)[C@@]12C=CCC=C1C=CC2=O 39104791 571889759 /nfs/dbraw/zinc/88/97/59/571889759.db2.gz CXQHHNOMNOFIEW-LBPRGKRZSA-N 0 0 174.243 2.654 10 30 AFEERN C=C[C@@](C)(CO)CCCC(F)F 687876862 571889871 /nfs/dbraw/zinc/88/98/71/571889871.db2.gz JUARXZIYMUKNIR-SECBINFHSA-N 0 0 178.222 2.606 10 30 AFEERN CC(C)[C@@]1(C#N)Cc2ccccc21 39104516 571890077 /nfs/dbraw/zinc/89/00/77/571890077.db2.gz WWHHUGXCCBAJNE-LBPRGKRZSA-N 0 0 171.243 2.660 10 30 AFEERN CC(C)C1=CC[C@H](C)C/C1=N/O 39104225 571890262 /nfs/dbraw/zinc/89/02/62/571890262.db2.gz NKTMRRGTDXWPOK-IZXMIOPHSA-N 0 0 167.252 2.829 10 30 AFEERN C=CC(C)(C)[C@H](CC)C(C)=O 17581252 571890583 /nfs/dbraw/zinc/89/05/83/571890583.db2.gz WAQDRHSXQVBXMT-SECBINFHSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)[C@@H]1CC/C(=N\O)C1(C)C 39104345 571890616 /nfs/dbraw/zinc/89/06/16/571890616.db2.gz GJZYJTMWAPQUJZ-QMIUEANQSA-N 0 0 169.268 2.909 10 30 AFEERN CC(C)[C@@]12CC[C@H](CS)[C@@H]1C2 39104427 571890619 /nfs/dbraw/zinc/89/06/19/571890619.db2.gz YLYBOGUWUPSQPP-UTLUCORTSA-N 0 0 170.321 2.989 10 30 AFEERN CC(C)C1=CC(=O)C[C@@H](C)CC1 39104092 571890693 /nfs/dbraw/zinc/89/06/93/571890693.db2.gz QKUDYLNAEFCJFS-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H](O)C/C=C/c1ccccc1 34599308 571890699 /nfs/dbraw/zinc/89/06/99/571890699.db2.gz HLUQQOCNAVPDKU-UVMWJGKXSA-N 0 0 174.243 2.637 10 30 AFEERN C=C[C@](C)(CO)CCCC(F)F 687876869 571890709 /nfs/dbraw/zinc/89/07/09/571890709.db2.gz JUARXZIYMUKNIR-VIFPVBQESA-N 0 0 178.222 2.606 10 30 AFEERN CC(C)[C@H]1CC/C(=N\O)C1(C)C 39104346 571890732 /nfs/dbraw/zinc/89/07/32/571890732.db2.gz GJZYJTMWAPQUJZ-ITCPUHJZSA-N 0 0 169.268 2.909 10 30 AFEERN CC(C)[C@]1(C#N)Cc2ccccc21 39104515 571890862 /nfs/dbraw/zinc/89/08/62/571890862.db2.gz WWHHUGXCCBAJNE-GFCCVEGCSA-N 0 0 171.243 2.660 10 30 AFEERN CC(C)[C@@H]1CC[C@@H](C)C=CC1=O 39104093 571890978 /nfs/dbraw/zinc/89/09/78/571890978.db2.gz FWKMNLBGFBFYCK-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@H]1C[C@@]1(C#N)c1ccccc1 139110668 571891474 /nfs/dbraw/zinc/89/14/74/571891474.db2.gz YLQHCZJVZUUYAB-JQWIXIFHSA-N 0 0 171.243 2.878 10 30 AFEERN CC(C)C=C=C1C(=O)C(=O)C(C)[C@H]1C 39112291 571891481 /nfs/dbraw/zinc/89/14/81/571891481.db2.gz ZXHVVGMZPXBTQY-QFSRMBNQSA-N 0 0 192.258 2.775 10 30 AFEERN C=C(C)CCc1ccccc1O 139136996 571891484 /nfs/dbraw/zinc/89/14/84/571891484.db2.gz IXDZLXGCRIRMSU-UHFFFAOYSA-N 0 0 162.232 2.901 10 30 AFEERN CC[C@@H]1C[C@@]1(C#N)c1ccccc1 139110547 571891526 /nfs/dbraw/zinc/89/15/26/571891526.db2.gz YLQHCZJVZUUYAB-PWSUYJOCSA-N 0 0 171.243 2.878 10 30 AFEERN CC(C)C=C=C1C(=O)C(=O)C(C)[C@@H]1C 39112292 571892655 /nfs/dbraw/zinc/89/26/55/571892655.db2.gz ZXHVVGMZPXBTQY-XDKWHASVSA-N 0 0 192.258 2.775 10 30 AFEERN CC[C@H]1C[C@]1(C#N)c1ccccc1 139110892 571891659 /nfs/dbraw/zinc/89/16/59/571891659.db2.gz YLQHCZJVZUUYAB-CMPLNLGQSA-N 0 0 171.243 2.878 10 30 AFEERN CC1(C)CCC[C@]2(C)/C(=N/N)CC[C@@H]12 39112438 571891825 /nfs/dbraw/zinc/89/18/25/571891825.db2.gz MZZHUVBYCAEREK-CBUPWXSWSA-N 0 0 194.322 2.928 10 30 AFEERN C=C[C@@H]1CS[C@@H](c2ccccc2)N1 196398350 571894240 /nfs/dbraw/zinc/89/42/40/571894240.db2.gz IBXIQINPAFZYLB-MNOVXSKESA-N 0 0 191.299 2.576 10 30 AFEERN CCCC=C=C1C(=O)C(=O)C(C)[C@H]1C 39112289 571892100 /nfs/dbraw/zinc/89/21/00/571892100.db2.gz ONIGUOLGIOTJBT-BRFYHDHCSA-N 0 0 192.258 2.919 10 30 AFEERN CCCC=C=C1C(=O)C(=O)C(C)[C@@H]1C 39112290 571892109 /nfs/dbraw/zinc/89/21/09/571892109.db2.gz ONIGUOLGIOTJBT-MQWKRIRWSA-N 0 0 192.258 2.919 10 30 AFEERN C=C1C(=O)CCC[C@H]1C=C(C)C 39116197 571892976 /nfs/dbraw/zinc/89/29/76/571892976.db2.gz IEIWHUPMKCFSEZ-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C=C1C(=O)CCC[C@@H]1C=C(C)C 39116199 571893120 /nfs/dbraw/zinc/89/31/20/571893120.db2.gz IEIWHUPMKCFSEZ-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@]1(C=O)CCC(C)=C[C@@H]1C 139126925 571893642 /nfs/dbraw/zinc/89/36/42/571893642.db2.gz ARXWAZQEZBTNIM-WDEREUQCSA-N 0 0 164.248 2.734 10 30 AFEERN C=CC(C)(C)[C@@H](O)c1ccc(C)o1 139103167 571893756 /nfs/dbraw/zinc/89/37/56/571893756.db2.gz DYEFTWBYBRKJKX-JTQLQIEISA-N 0 0 180.247 2.834 10 30 AFEERN CC[C@@H]1C[C@]1(C#N)c1ccccc1 139110770 571893784 /nfs/dbraw/zinc/89/37/84/571893784.db2.gz YLQHCZJVZUUYAB-ZYHUDNBSSA-N 0 0 171.243 2.878 10 30 AFEERN SC/C=C\CSc1ccccn1 211712323 571893944 /nfs/dbraw/zinc/89/39/44/571893944.db2.gz NKUJZLUJPNCPKO-ARJAWSKDSA-N 0 0 197.328 2.660 10 30 AFEERN CC(C)COC1=CC(=O)C[C@@H](C)C1 39119355 571895487 /nfs/dbraw/zinc/89/54/87/571895487.db2.gz GGTCZGKBMCSAGE-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C=C[C@H]1CS[C@@H](c2ccccc2)N1 196398359 571895772 /nfs/dbraw/zinc/89/57/72/571895772.db2.gz IBXIQINPAFZYLB-QWRGUYRKSA-N 0 0 191.299 2.576 10 30 AFEERN C=C[C@@H]1CS[C@H](c2ccccc2)N1 196398328 571895899 /nfs/dbraw/zinc/89/58/99/571895899.db2.gz IBXIQINPAFZYLB-GHMZBOCLSA-N 0 0 191.299 2.576 10 30 AFEERN C=C[C@H]1CS[C@H](c2ccccc2)N1 196398338 571896057 /nfs/dbraw/zinc/89/60/57/571896057.db2.gz IBXIQINPAFZYLB-WDEREUQCSA-N 0 0 191.299 2.576 10 30 AFEERN CC(C)OC1=CC(=O)C[C@H](C(C)C)C1 39119364 571896308 /nfs/dbraw/zinc/89/63/08/571896308.db2.gz AAQHRNVLJGAYFR-JTQLQIEISA-N 0 0 196.290 2.930 10 30 AFEERN CCO[C@H](C)C(=O)C1=CCCCCC1 300063750 571896521 /nfs/dbraw/zinc/89/65/21/571896521.db2.gz YFXHYLRGWLVROR-SNVBAGLBSA-N 0 0 196.290 2.871 10 30 AFEERN CC(C)OC1=CC(=O)C[C@@H](C(C)C)C1 39119365 571896573 /nfs/dbraw/zinc/89/65/73/571896573.db2.gz AAQHRNVLJGAYFR-SNVBAGLBSA-N 0 0 196.290 2.930 10 30 AFEERN CC1=C(F)C(=O)CC(C)(C)C1 39125410 571896983 /nfs/dbraw/zinc/89/69/83/571896983.db2.gz JSVUYETYHWBHBH-UHFFFAOYSA-N 0 0 156.200 2.619 10 30 AFEERN C=CCCCC(=O)[C@@H](C)CSC 300763118 571897026 /nfs/dbraw/zinc/89/70/26/571897026.db2.gz NIKZFNQZLPJGLD-VIFPVBQESA-N 0 0 186.320 2.911 10 30 AFEERN CCCC[C@@H]1O[C@H]1CCC 39131981 571897246 /nfs/dbraw/zinc/89/72/46/571897246.db2.gz IKNXPNNMKVOEMV-IUCAKERBSA-N 0 0 142.242 2.744 10 30 AFEERN C=CCCCC(=O)[C@H](C)CSC 300763117 571897476 /nfs/dbraw/zinc/89/74/76/571897476.db2.gz NIKZFNQZLPJGLD-SECBINFHSA-N 0 0 186.320 2.911 10 30 AFEERN C=CCCC(=O)OC/C=C\CCC 210966588 571897748 /nfs/dbraw/zinc/89/77/48/571897748.db2.gz DZEWFBJGYJJWQM-FPLPWBNLSA-N 0 0 182.263 2.852 10 30 AFEERN CC1=C(Cl)C(=O)[C@H](C)CCC1 39128224 571898020 /nfs/dbraw/zinc/89/80/20/571898020.db2.gz ZCDVIPUYXPIKRO-SSDOTTSWSA-N 0 0 172.655 2.888 10 30 AFEERN CC1=C(Cl)C(=O)[C@@H](C)CCC1 39128226 571898089 /nfs/dbraw/zinc/89/80/89/571898089.db2.gz ZCDVIPUYXPIKRO-ZETCQYMHSA-N 0 0 172.655 2.888 10 30 AFEERN CCCC[C@@H]1O[C@@H]1CCC 39131984 571898522 /nfs/dbraw/zinc/89/85/22/571898522.db2.gz IKNXPNNMKVOEMV-BDAKNGLRSA-N 0 0 142.242 2.744 10 30 AFEERN C=CCCCCC[C@@H](O)CCOC 234697943 571898709 /nfs/dbraw/zinc/89/87/09/571898709.db2.gz VHCGVEDBARKNGE-LLVKDONJSA-N 0 0 186.295 2.520 10 30 AFEERN CCc1ccc([C@@H](C=O)CC)cc1 32006901 571898835 /nfs/dbraw/zinc/89/88/35/571898835.db2.gz LYVXYBCQGMNZRL-LLVKDONJSA-N 0 0 176.259 2.942 10 30 AFEERN C=C(C)C[C@H]1CCCC[C@@]1(C)O 211154091 571898957 /nfs/dbraw/zinc/89/89/57/571898957.db2.gz WRBFYBLDQZYZIN-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN CC(=O)/C=C\[C@@H](C)C1CCCC1 211323263 571899050 /nfs/dbraw/zinc/89/90/50/571899050.db2.gz RNWCCABRVXPVEY-UFGYOYAJSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCCC(=O)[C@H](CCC)OC 131915717 571899792 /nfs/dbraw/zinc/89/97/92/571899792.db2.gz FBOMNGHOSGQXGF-NSHDSACASA-N 0 0 184.279 2.727 10 30 AFEERN C#C[C@H](C)OC(=O)CCCCCCC 100295073 571900182 /nfs/dbraw/zinc/90/01/82/571900182.db2.gz JGTVWNZUWKACIY-NSHDSACASA-N 0 0 196.290 2.912 10 30 AFEERN C=C1[C@H](OC(C)=O)C[C@@]2(C(C)C)C[C@@H]12 5761516 571900218 /nfs/dbraw/zinc/90/02/18/571900218.db2.gz PBWRFXQNNGSAQG-QJPTWQEYSA-N 0 0 194.274 2.540 10 30 biogenic AFEERN C=CCCCC(=O)[C@@H](CCC)OC 131915920 571900297 /nfs/dbraw/zinc/90/02/97/571900297.db2.gz FBOMNGHOSGQXGF-LLVKDONJSA-N 0 0 184.279 2.727 10 30 AFEERN C=CC(C)(C)/C=C(/C)CCO 17695000 571900304 /nfs/dbraw/zinc/90/03/04/571900304.db2.gz IAFKXSHSBYMATG-HJWRWDBZSA-N 0 0 154.253 2.527 10 30 AFEERN CC#CCC(=O)CCC(C)(C)C 300765205 571900371 /nfs/dbraw/zinc/90/03/71/571900371.db2.gz OGDHRQIPKBBUOI-UHFFFAOYSA-N 0 0 166.264 2.795 10 30 AFEERN C[C@]12CCCC[C@@]1(C#N)CC(=O)CC2 32135205 571900651 /nfs/dbraw/zinc/90/06/51/571900651.db2.gz VDTIJFRUZIAMNB-NEPJUHHUSA-N 0 0 191.274 2.830 10 30 AFEERN CC[C@@](C)(C#N)C1(O)CC(C(C)C)C1 233959250 571900955 /nfs/dbraw/zinc/90/09/55/571900955.db2.gz AIEMPZFXBFXIKD-CXQJBGSLSA-N 0 0 195.306 2.723 10 30 AFEERN C=CCCCCc1cc(C)no1 39113198 571901494 /nfs/dbraw/zinc/90/14/94/571901494.db2.gz OMCWPEBFGXKROJ-UHFFFAOYSA-N 0 0 165.236 2.882 10 30 AFEERN C=C(C)/C=C\C[C@@H]1CCC(=O)C1 211030810 571901779 /nfs/dbraw/zinc/90/17/79/571901779.db2.gz TVKKZDWNYOCXQY-UMBAGQNISA-N 0 0 164.248 2.878 10 30 AFEERN C[C@@]12CCCC[C@@]1(C#N)CC(=O)CC2 32135204 571901921 /nfs/dbraw/zinc/90/19/21/571901921.db2.gz VDTIJFRUZIAMNB-RYUDHWBXSA-N 0 0 191.274 2.830 10 30 AFEERN C=C(C)/C=C\C[C@H]1CCC(=O)C1 211030837 571901927 /nfs/dbraw/zinc/90/19/27/571901927.db2.gz TVKKZDWNYOCXQY-XOULXFPDSA-N 0 0 164.248 2.878 10 30 AFEERN C=CCC(C)(C)/C=C1\O[C@H]1CCC=O 211639121 571901986 /nfs/dbraw/zinc/90/19/86/571901986.db2.gz MZVDFXJRFHNYIM-RGAIUGGKSA-N 0 0 194.274 2.851 10 30 AFEERN C#C[C@@H](C)OC(=O)CCCCCCC 100295076 571901988 /nfs/dbraw/zinc/90/19/88/571901988.db2.gz JGTVWNZUWKACIY-LLVKDONJSA-N 0 0 196.290 2.912 10 30 AFEERN CCCCCCCCCC#CC(N)=O 100300102 571903489 /nfs/dbraw/zinc/90/34/89/571903489.db2.gz XPRQQPAPWSCHRV-UHFFFAOYSA-N 0 0 195.306 2.616 10 30 AFEERN Cc1cccc2c1c(CC#N)cn2C 117325660 571902050 /nfs/dbraw/zinc/90/20/50/571902050.db2.gz RUYPFFUFCQGEAL-UHFFFAOYSA-N 0 0 184.242 2.553 10 30 AFEERN CC1=CC(=O)CC[C@@]12CC=C[C@@H]2C 39147893 571902380 /nfs/dbraw/zinc/90/23/80/571902380.db2.gz IXAYMUYNDILDST-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)c1c(NC)cccc1[N+](=O)[O-] 687728746 571903551 /nfs/dbraw/zinc/90/35/51/571903551.db2.gz CXEHPPDFHZIHCS-UHFFFAOYSA-N 0 0 192.218 2.670 10 30 AFEERN C=CCC[C@@](C)(O)CCC1CC1 235428446 571903348 /nfs/dbraw/zinc/90/33/48/571903348.db2.gz REPHYFHXCFAKGT-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C/C=C\C(=O)/C=C\c1cccs1 212028376 571903729 /nfs/dbraw/zinc/90/37/29/571903729.db2.gz GASIOPQTDKBBGE-YEKSRDOCSA-N 0 0 178.256 2.907 10 30 AFEERN CC[C@H]1CCC[C@H](C=NO)C1 394544915 571903740 /nfs/dbraw/zinc/90/37/40/571903740.db2.gz VYPVLOHEULXJNA-IUCAKERBSA-N 0 0 155.241 2.663 10 30 AFEERN OCC/C=C/C=C\C#Cc1ccccc1 212085114 571903758 /nfs/dbraw/zinc/90/37/58/571903758.db2.gz UFHLMMCUDWAMHD-HSFFGMMNSA-N 0 0 198.265 2.533 10 30 AFEERN CCCCC(CCCC)=NN 39136586 571903782 /nfs/dbraw/zinc/90/37/82/571903782.db2.gz JYBLCPKFMKYMEH-UHFFFAOYSA-N 0 0 156.273 2.682 10 30 AFEERN CC(C)c1nc(C=O)c(N=[N+]=[N-])o1 39138969 571904335 /nfs/dbraw/zinc/90/43/35/571904335.db2.gz GQEKBZJQSCIUIO-UHFFFAOYSA-N 0 0 180.167 2.552 10 30 AFEERN C=C(C)/C=C\CC(C)(C)CO 17628167 571905266 /nfs/dbraw/zinc/90/52/66/571905266.db2.gz NUBDJMQWJFDZIT-WAYWQWQTSA-N 0 0 154.253 2.527 10 30 AFEERN CC[C@@H]1CCC[C@@H](C=NO)C1 394544916 571905225 /nfs/dbraw/zinc/90/52/25/571905225.db2.gz VYPVLOHEULXJNA-RKDXNWHRSA-N 0 0 155.241 2.663 10 30 AFEERN O=C1C=C2CCCC[C@H]2CCC1 39184804 571904865 /nfs/dbraw/zinc/90/48/65/571904865.db2.gz BMKFPDYYGVGMJY-VIFPVBQESA-N 0 0 164.248 2.856 10 30 AFEERN CC[C@@H]1CCC[C@H](C=NO)C1 394544911 571904980 /nfs/dbraw/zinc/90/49/80/571904980.db2.gz VYPVLOHEULXJNA-BDAKNGLRSA-N 0 0 155.241 2.663 10 30 AFEERN CCCCCCCCCC(=O)C=O 100300164 571905003 /nfs/dbraw/zinc/90/50/03/571905003.db2.gz MAIYNPKSRZDSSQ-UHFFFAOYSA-N 0 0 184.279 2.895 10 30 AFEERN C=C(C)CCC(=O)CC[C@@H]1CCOC1 401269196 571905108 /nfs/dbraw/zinc/90/51/08/571905108.db2.gz LDJFYTAUNNXZTI-LLVKDONJSA-N 0 0 196.290 2.729 10 30 AFEERN C=CC(C)(C)CCC[C@H](C)O 17619566 571905110 /nfs/dbraw/zinc/90/51/10/571905110.db2.gz WTYAJCQVANOBDK-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN O=C1C=C2CCCC[C@@H]2CCC1 39184805 571905126 /nfs/dbraw/zinc/90/51/26/571905126.db2.gz BMKFPDYYGVGMJY-SECBINFHSA-N 0 0 164.248 2.856 10 30 AFEERN C=CCCCCCC[C@H](O)COC 234706807 571905210 /nfs/dbraw/zinc/90/52/10/571905210.db2.gz ZKJZTNNSONMVFJ-NSHDSACASA-N 0 0 186.295 2.520 10 30 AFEERN ON=CCC1CCCCCC1 394521664 571905353 /nfs/dbraw/zinc/90/53/53/571905353.db2.gz BEFVYKJBRSUNHP-UHFFFAOYSA-N 0 0 155.241 2.807 10 30 AFEERN CC(C)[C@@H](CC#N)c1cncs1 204929244 571905508 /nfs/dbraw/zinc/90/55/08/571905508.db2.gz PNXYUNLWEBSIJY-MRVPVSSYSA-N 0 0 180.276 2.796 10 30 AFEERN C=C(CC=O)[C@H]1CC=C(C)CC1 39168244 571905511 /nfs/dbraw/zinc/90/55/11/571905511.db2.gz ADSVTJYKXOSSHZ-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CC[C@H]1CCC[C@@H](C=NO)C1 394544913 571905652 /nfs/dbraw/zinc/90/56/52/571905652.db2.gz VYPVLOHEULXJNA-DTWKUNHWSA-N 0 0 155.241 2.663 10 30 AFEERN [N-]=[N+]=Nc1ccc(O)c2ncccc12 39168693 571905846 /nfs/dbraw/zinc/90/58/46/571905846.db2.gz BUFASZBUAKSRRE-UHFFFAOYSA-N 0 0 186.174 2.882 10 30 AFEERN C=C[C@H](C)Nc1cccc(COC)c1 234717592 571905988 /nfs/dbraw/zinc/90/59/88/571905988.db2.gz YHBRWOUJUYIJGV-JTQLQIEISA-N 0 0 191.274 2.819 10 30 AFEERN Cc1cccc(N[C@H](C)CC#N)c1C#N 235434368 571906055 /nfs/dbraw/zinc/90/60/55/571906055.db2.gz LQEJGLKFNXTYPD-SNVBAGLBSA-N 0 0 199.257 2.581 10 30 AFEERN ON=C(Cl)CC1CCCC1 394565947 571906148 /nfs/dbraw/zinc/90/61/48/571906148.db2.gz IRGINTWWHRGBSH-UHFFFAOYSA-N 0 0 161.632 2.593 10 30 AFEERN C=C[C@@H](C)Nc1cccc(COC)c1 234717814 571906182 /nfs/dbraw/zinc/90/61/82/571906182.db2.gz YHBRWOUJUYIJGV-SNVBAGLBSA-N 0 0 191.274 2.819 10 30 AFEERN C=C(CC=O)[C@@H]1CC=C(C)CC1 39168245 571906240 /nfs/dbraw/zinc/90/62/40/571906240.db2.gz ADSVTJYKXOSSHZ-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CC(C)(C)[C@H](O)[C@@H](C#N)C(C)(C)C 39168637 571906275 /nfs/dbraw/zinc/90/62/75/571906275.db2.gz ABTZQEHIBOUDMF-RKDXNWHRSA-N 0 0 183.295 2.579 10 30 AFEERN C=C(C)C(C)(CC=O)C(=C)C 39168123 571906429 /nfs/dbraw/zinc/90/64/29/571906429.db2.gz AILVXKXXMIBAND-UHFFFAOYSA-N 0 0 152.237 2.734 10 30 AFEERN C/C=C\[C@@H](O)C#CCCCCCC 213819847 571906577 /nfs/dbraw/zinc/90/65/77/571906577.db2.gz RWRSZLCVCNUEFJ-GFSSTFBJSA-N 0 0 180.291 2.897 10 30 AFEERN CON=C[C@H]1CCCC(C)(C)C1 379325214 571906618 /nfs/dbraw/zinc/90/66/18/571906618.db2.gz BIUNOCBKZZNFGR-VIFPVBQESA-N 0 0 169.268 2.835 10 30 AFEERN C=C(Cl)[C@H](O)C1CCCCC1 36420002 571906717 /nfs/dbraw/zinc/90/67/17/571906717.db2.gz UAPPOKFUWGDXJZ-VIFPVBQESA-N 0 0 174.671 2.680 10 30 AFEERN C=CC[C@@H](O)[C@@H](C)Cc1ccccc1 213882760 571906858 /nfs/dbraw/zinc/90/68/58/571906858.db2.gz XKVMASCMLWABHS-WCQYABFASA-N 0 0 190.286 2.802 10 30 AFEERN CC(C)(C)c1noc(N=[N+]=[N-])c1C=O 39185516 571907495 /nfs/dbraw/zinc/90/74/95/571907495.db2.gz OHKGSBFFRAVHKA-UHFFFAOYSA-N 0 0 194.194 2.726 10 30 AFEERN CC(C)C(=O)C=C(Cl)Cl 39201346 571907016 /nfs/dbraw/zinc/90/70/16/571907016.db2.gz CEMJOSNHIFEVHP-UHFFFAOYSA-N 0 0 167.035 2.531 10 30 AFEERN CC(=O)/C=C(\C)c1cccc(C#N)c1 308464586 571907157 /nfs/dbraw/zinc/90/71/57/571907157.db2.gz ZELADHSMBSAEAX-RMKNXTFCSA-N 0 0 185.226 2.551 10 30 AFEERN [N-]=[N+]=Nc1n[nH]c2ccccc12 39194746 571907507 /nfs/dbraw/zinc/90/75/07/571907507.db2.gz NCVGVDSQMXKWGU-UHFFFAOYSA-N 0 0 159.152 2.505 10 30 AFEERN CCC(CC)COCCCC#N 300769343 571907222 /nfs/dbraw/zinc/90/72/22/571907222.db2.gz PRGXCZLABUKHIJ-UHFFFAOYSA-N 0 0 169.268 2.743 10 30 AFEERN CCCC#Cc1ccccc1C=O 36436949 571907520 /nfs/dbraw/zinc/90/75/20/571907520.db2.gz ZILUOZIWQCJPQR-UHFFFAOYSA-N 0 0 172.227 2.651 10 30 AFEERN CC(C)(C)C/C=C/CC=O 687677266 571907485 /nfs/dbraw/zinc/90/74/85/571907485.db2.gz ADEPTQNOFDKVDS-SNAWJCMRSA-N 0 0 140.226 2.568 10 30 AFEERN CC1=CC[C@@H](C(C)C)CC1=NO 379324871 571907745 /nfs/dbraw/zinc/90/77/45/571907745.db2.gz WEHKIEYKMLAEDU-SECBINFHSA-N 0 0 167.252 2.829 10 30 AFEERN CC(=NO)c1cc(C)cc(C)c1 379324793 571907864 /nfs/dbraw/zinc/90/78/64/571907864.db2.gz OYCCHPSVJDWFCM-UHFFFAOYSA-N 0 0 163.220 2.502 10 30 AFEERN CCCC#Cc1ccc([C@@H](C)O)cc1 36404618 571907887 /nfs/dbraw/zinc/90/78/87/571907887.db2.gz GIOUXEPNMFNPOC-LLVKDONJSA-N 0 0 188.270 2.892 10 30 AFEERN C=CC[C@@]1(C)C(=O)CCC[C@H]1C 36437970 571907892 /nfs/dbraw/zinc/90/78/92/571907892.db2.gz GJPSMYCPTBGNDA-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C)C/C=C/CC#N 687677262 571907967 /nfs/dbraw/zinc/90/79/67/571907967.db2.gz DTAMZRINOXWUAO-SNAWJCMRSA-N 0 0 137.226 2.892 10 30 AFEERN CCCCC#Cc1ccc(N)cc1 36473424 571907993 /nfs/dbraw/zinc/90/79/93/571907993.db2.gz ZGKAZKABNFZLQI-UHFFFAOYSA-N 0 0 173.259 2.811 10 30 AFEERN C=CC(C)(C)[C@H](O)CC(C)C 17703629 571908028 /nfs/dbraw/zinc/90/80/28/571908028.db2.gz KDGZHNNLHOAREU-SECBINFHSA-N 0 0 156.269 2.606 10 30 AFEERN Cc1ccc(N=NC(C)C)cc1 39189574 571908228 /nfs/dbraw/zinc/90/82/28/571908228.db2.gz VVDKLNALHXDTGK-UHFFFAOYSA-N 0 0 162.236 2.803 10 30 AFEERN C=C[C@]1(O)C[C@H](C)CC[C@H]1C(C)C 36437036 571908237 /nfs/dbraw/zinc/90/82/37/571908237.db2.gz YDBXKKDNIGMCKC-WOPDTQHZSA-N 0 0 182.307 2.996 10 30 AFEERN CC(=O)c1sccc1N=[N+]=[N-] 39188725 571908389 /nfs/dbraw/zinc/90/83/89/571908389.db2.gz VRSMVIQXEVCEJD-UHFFFAOYSA-N 0 0 167.193 2.893 10 30 AFEERN CC1=CC[C@H](C(C)C)CC1=NO 379324872 571908642 /nfs/dbraw/zinc/90/86/42/571908642.db2.gz WEHKIEYKMLAEDU-VIFPVBQESA-N 0 0 167.252 2.829 10 30 AFEERN CON=C[C@@H]1CCCC(C)(C)C1 379325213 571908649 /nfs/dbraw/zinc/90/86/49/571908649.db2.gz BIUNOCBKZZNFGR-SECBINFHSA-N 0 0 169.268 2.835 10 30 AFEERN CC1(C(Cl)=NO)CCCCC1 394669148 571908703 /nfs/dbraw/zinc/90/87/03/571908703.db2.gz LGNZSESBGSUCNO-UHFFFAOYSA-N 0 0 175.659 2.983 10 30 AFEERN C#CC[C@@H](C)Nc1ccc(C)cc1C#N 235443581 571908914 /nfs/dbraw/zinc/90/89/14/571908914.db2.gz GWBZDSWJUDJUMQ-LLVKDONJSA-N 0 0 198.269 2.690 10 30 AFEERN CN(CCC#N)c1ccc(Cl)cc1 39207901 571910835 /nfs/dbraw/zinc/91/08/35/571910835.db2.gz HHSHJUKSJCEGBY-UHFFFAOYSA-N 0 0 194.665 2.690 10 30 AFEERN C=C/C=C/CC1=C(C)CCC1=O 39205892 571910971 /nfs/dbraw/zinc/91/09/71/571910971.db2.gz GBEJULSURQZDNX-SNAWJCMRSA-N 0 0 162.232 2.798 10 30 AFEERN CO[C@@H](C)CC(=O)C1=CCCCCC1 234728938 571911150 /nfs/dbraw/zinc/91/11/50/571911150.db2.gz GAFBISYBJPZSQS-JTQLQIEISA-N 0 0 196.290 2.871 10 30 AFEERN C=CCC[C@H](C)C[C@H](O)C=C 213730908 571911714 /nfs/dbraw/zinc/91/17/14/571911714.db2.gz RTIGVLSIPFCHRH-VHSXEESVSA-N 0 0 154.253 2.526 10 30 AFEERN Cc1ccc(/C=C/CC#N)o1 687677896 571911909 /nfs/dbraw/zinc/91/19/09/571911909.db2.gz JZYKKTWSHAOGQY-DUXPYHPUSA-N 0 0 147.177 2.515 10 30 AFEERN C/C=C/C(=O)C1=C(C)CCC1 39238131 571912400 /nfs/dbraw/zinc/91/24/00/571912400.db2.gz WVKKHPWXFPDDAZ-HWKANZROSA-N 0 0 150.221 2.632 10 30 AFEERN CC(C)=C(C)C(=O)C(C)C 39222097 571912671 /nfs/dbraw/zinc/91/26/71/571912671.db2.gz LGIJQLFWKKLVPY-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN N#CC/C=C/C[C@@H]1CCSC1 687678657 571912773 /nfs/dbraw/zinc/91/27/73/571912773.db2.gz NWDJAAVGMQXGPE-GPYPMJJRSA-N 0 0 167.277 2.599 10 30 AFEERN C[C@H]1C(=O)C=C2CCCCC[C@H]21 39238133 571912822 /nfs/dbraw/zinc/91/28/22/571912822.db2.gz KEFUEOPCGYBKTR-SCZZXKLOSA-N 0 0 164.248 2.712 10 30 AFEERN CC/C=C/CC1=CCCC1=O 39235456 571912863 /nfs/dbraw/zinc/91/28/63/571912863.db2.gz ZRPXEBBESHWNJZ-ONEGZZNKSA-N 0 0 150.221 2.632 10 30 AFEERN C[C@H]1C[C@@H](O[C@H](C)C#N)CC[C@H]1C 220884365 571912891 /nfs/dbraw/zinc/91/28/91/571912891.db2.gz WHXFMPMFWVADGF-YTWAJWBKSA-N 0 0 181.279 2.740 10 30 AFEERN C=CCCC(=O)/C=C\[C@H](O)CCCC 215111239 571913053 /nfs/dbraw/zinc/91/30/53/571913053.db2.gz SXJPCJCWYGEDMD-ZWLSGLHFSA-N 0 0 196.290 2.629 10 30 AFEERN C=CC[C@H](C)CC(=O)C[C@@H](O)CCC 215168734 571913120 /nfs/dbraw/zinc/91/31/20/571913120.db2.gz PIPZLJSZLYYLBT-QWRGUYRKSA-N 0 0 198.306 2.709 10 30 AFEERN C[C@@H]1C(=O)C=C2CCCCC[C@@H]21 39238134 571913154 /nfs/dbraw/zinc/91/31/54/571913154.db2.gz KEFUEOPCGYBKTR-WCBMZHEXSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1C(=O)C=C2CCCCC[C@@H]21 39238135 571913443 /nfs/dbraw/zinc/91/34/43/571913443.db2.gz KEFUEOPCGYBKTR-PSASIEDQSA-N 0 0 164.248 2.712 10 30 AFEERN N#CC/C=C/c1ccc(Cl)o1 687678755 571913465 /nfs/dbraw/zinc/91/34/65/571913465.db2.gz SWYHNIOBWLVNPX-HNQUOIGGSA-N 0 0 167.595 2.860 10 30 AFEERN Cc1ccc(/C=C/CC#N)s1 687678522 571913515 /nfs/dbraw/zinc/91/35/15/571913515.db2.gz IVMWQVHEAHJJDF-DUXPYHPUSA-N 0 0 163.245 2.983 10 30 AFEERN Cc1ccc(/C=C/CC=O)s1 687678725 571913953 /nfs/dbraw/zinc/91/39/53/571913953.db2.gz MPQWAWBCCYJEGL-DUXPYHPUSA-N 0 0 166.245 2.659 10 30 AFEERN N#CC/C=C/C1CCSCC1 687678654 571913658 /nfs/dbraw/zinc/91/36/58/571913658.db2.gz DOGXXOKCOLXJBP-HNQUOIGGSA-N 0 0 167.277 2.599 10 30 AFEERN N#CC/C=C/Cc1cccs1 687678523 571913821 /nfs/dbraw/zinc/91/38/21/571913821.db2.gz LWYSTSKFIXGTSW-OWOJBTEDSA-N 0 0 163.245 2.760 10 30 AFEERN N#CC/C=C/[C@@H]1CCCSC1 687678652 571913841 /nfs/dbraw/zinc/91/38/41/571913841.db2.gz DCTICQKDZVWCNN-CITMHJQUSA-N 0 0 167.277 2.599 10 30 AFEERN C=C1C(=O)CC[C@@H]1c1ccccc1C 219224654 571913894 /nfs/dbraw/zinc/91/38/94/571913894.db2.gz WOZRTZCXJCYIML-LBPRGKRZSA-N 0 0 186.254 2.998 10 30 AFEERN CC#CC[C@@H](O)CCC(C)(C)C 300771525 571913931 /nfs/dbraw/zinc/91/39/31/571913931.db2.gz QLDRZNFGWIZACG-SNVBAGLBSA-N 0 0 168.280 2.587 10 30 AFEERN CC(C)(C)C(=O)C=C1CCC1 39241886 571914268 /nfs/dbraw/zinc/91/42/68/571914268.db2.gz LBBURGRJSRHMEW-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN N#CC/C=C/C[C@H]1CCSC1 687678658 571914474 /nfs/dbraw/zinc/91/44/74/571914474.db2.gz NWDJAAVGMQXGPE-VWCDRPFISA-N 0 0 167.277 2.599 10 30 AFEERN O=CC(Cl)(Cl)c1ccccc1 39250346 571914494 /nfs/dbraw/zinc/91/44/94/571914494.db2.gz NXZHTMYGZGIPNT-UHFFFAOYSA-N 0 0 189.041 2.516 10 30 AFEERN CC(=O)C1=C[C@@H](C)CC1(C)C 39247555 571914556 /nfs/dbraw/zinc/91/45/56/571914556.db2.gz MMVADIJBCSHRJW-SSDOTTSWSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(CC)C[C@@H](O)CC1(COC)CC1 401302984 571914808 /nfs/dbraw/zinc/91/48/08/571914808.db2.gz FRKJYPQFSNEKSQ-LLVKDONJSA-N 0 0 198.306 2.520 10 30 AFEERN N#CC/C=C/[C@H]1CCCSC1 687678653 571914912 /nfs/dbraw/zinc/91/49/12/571914912.db2.gz DCTICQKDZVWCNN-PWTMJPFMSA-N 0 0 167.277 2.599 10 30 AFEERN CO[C@H](C(=O)C1=CCCCC1)C(C)C 234730840 571914952 /nfs/dbraw/zinc/91/49/52/571914952.db2.gz VFESENCJDCTEMX-LBPRGKRZSA-N 0 0 196.290 2.727 10 30 AFEERN C=C(CC)C[C@H](O)CC1(COC)CC1 401302985 571914979 /nfs/dbraw/zinc/91/49/79/571914979.db2.gz FRKJYPQFSNEKSQ-NSHDSACASA-N 0 0 198.306 2.520 10 30 AFEERN CC(=O)/C=C/C=C/C(C)(C)C 39249393 571915312 /nfs/dbraw/zinc/91/53/12/571915312.db2.gz PHCLNNXXQCNSGK-KQQUZDAGSA-N 0 0 152.237 2.734 10 30 AFEERN C=C(CCC)C(=O)CCC 39249412 571915324 /nfs/dbraw/zinc/91/53/24/571915324.db2.gz QODSPUGTCYMHNM-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN O=C[C@@H]1CCC[C@H]1c1ccccc1 39254337 571916613 /nfs/dbraw/zinc/91/66/13/571916613.db2.gz RRDDMVLLDFPZDS-RYUDHWBXSA-N 0 0 174.243 2.769 10 30 AFEERN C#C[C@H](O)CC/C=C\CCCCC 214843631 571915553 /nfs/dbraw/zinc/91/55/53/571915553.db2.gz MTDRHICVNSLQSF-LAUAKBEESA-N 0 0 180.291 2.897 10 30 AFEERN C=CC1(CC(C)=O)CCCC1 139430311 571915636 /nfs/dbraw/zinc/91/56/36/571915636.db2.gz QYEPZNVKSYPMIS-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CCc1cccc(Cl)c1C#N 145486196 571915789 /nfs/dbraw/zinc/91/57/89/571915789.db2.gz ZPRQXNIUVXZSCL-UHFFFAOYSA-N 0 0 165.623 2.774 10 30 AFEERN CC(=O)C1=C[C@H](C)CC1(C)C 39247554 571915837 /nfs/dbraw/zinc/91/58/37/571915837.db2.gz MMVADIJBCSHRJW-ZETCQYMHSA-N 0 0 152.237 2.568 10 30 AFEERN CCC/C=C1/C=CC(=O)CC1 39245034 571915901 /nfs/dbraw/zinc/91/59/01/571915901.db2.gz YRAWDLUHQDRZLW-WTKPLQERSA-N 0 0 150.221 2.632 10 30 AFEERN O=C1C[C@H]2CCC[C@@H]3CCCC1=C32 139324554 571915924 /nfs/dbraw/zinc/91/59/24/571915924.db2.gz HGNVJKWGDJAICO-RKDXNWHRSA-N 0 0 176.259 2.856 10 30 AFEERN CC(C)=C/C=C1\C=CC=CC1=O 215913957 571916015 /nfs/dbraw/zinc/91/60/15/571916015.db2.gz LQOSQISENLTDND-CSKARUKUSA-N 0 0 160.216 2.574 10 30 AFEERN C[C@H](C=O)C[C@H](C)C(C)(C)C 39252693 571916160 /nfs/dbraw/zinc/91/61/60/571916160.db2.gz MDPNPJLHOMJJKR-IUCAKERBSA-N 0 0 156.269 2.894 10 30 AFEERN O=C[C@H](C1CCCCC1)C(F)(F)F 39258240 571916649 /nfs/dbraw/zinc/91/66/49/571916649.db2.gz QAMQWQFGNBLBMH-MRVPVSSYSA-N 0 0 194.196 2.944 10 30 AFEERN CCCCCC/C=C\[C@@H](O)CF 215547620 571916320 /nfs/dbraw/zinc/91/63/20/571916320.db2.gz BPMDDOVCUQSZED-GQYWMQPJSA-N 0 0 174.259 2.843 10 30 AFEERN CCCCSc1ccc(C#N)[nH]1 139322402 571916375 /nfs/dbraw/zinc/91/63/75/571916375.db2.gz DFHZEWCOFBZHFJ-UHFFFAOYSA-N 0 0 180.276 2.779 10 30 AFEERN O=C1C[C@@H]2CCC[C@@H]3CCCC1=C23 139324325 571916462 /nfs/dbraw/zinc/91/64/62/571916462.db2.gz HGNVJKWGDJAICO-BDAKNGLRSA-N 0 0 176.259 2.856 10 30 AFEERN CC[C@H](C#N)c1cccc(OC)c1 39261416 571916539 /nfs/dbraw/zinc/91/65/39/571916539.db2.gz CIDTUGIPHMXGPB-SECBINFHSA-N 0 0 175.231 2.712 10 30 AFEERN CCCCCCCCCO[N+](=O)[O-] 100312622 571916576 /nfs/dbraw/zinc/91/65/76/571916576.db2.gz CMNNRVWVNGXINV-UHFFFAOYSA-N 0 0 189.255 2.945 10 30 AFEERN CC[C@@H](C#N)c1cccc(OC)c1 39261414 571916583 /nfs/dbraw/zinc/91/65/83/571916583.db2.gz CIDTUGIPHMXGPB-VIFPVBQESA-N 0 0 175.231 2.712 10 30 AFEERN O=C[C@H]1CCC[C@@H]1c1ccccc1 39254336 571916777 /nfs/dbraw/zinc/91/67/77/571916777.db2.gz RRDDMVLLDFPZDS-VXGBXAGGSA-N 0 0 174.243 2.769 10 30 AFEERN O=C[C@H](c1ccccc1)C(F)(F)F 39258242 571916856 /nfs/dbraw/zinc/91/68/56/571916856.db2.gz UPAORLGJAFFCOV-MRVPVSSYSA-N 0 0 188.148 2.531 10 30 AFEERN CC(=O)/C=C/[C@@H]1CC=C(C)CC1 39254597 571916866 /nfs/dbraw/zinc/91/68/66/571916866.db2.gz CZXOJVNADDWURO-AYLMVEPYSA-N 0 0 164.248 2.878 10 30 AFEERN CC(=O)C1=Cc2ccccc2CC1 39257128 571916971 /nfs/dbraw/zinc/91/69/71/571916971.db2.gz HHLYFOFIPKVXNS-UHFFFAOYSA-N 0 0 172.227 2.605 10 30 AFEERN O=CC/C=C/c1ccc(Cl)o1 687679238 571917349 /nfs/dbraw/zinc/91/73/49/571917349.db2.gz INZYYCKMQXAKIU-HNQUOIGGSA-N 0 0 170.595 2.535 10 30 AFEERN CCc1ccc(/C=C/C(C)=O)s1 39258563 571917375 /nfs/dbraw/zinc/91/73/75/571917375.db2.gz QIVLWULLNWLOBE-SNAWJCMRSA-N 0 0 180.272 2.913 10 30 AFEERN N#CC/C=C/Cc1cccc(F)c1 687679523 571917430 /nfs/dbraw/zinc/91/74/30/571917430.db2.gz JEHHLAQDORMIIJ-OWOJBTEDSA-N 0 0 175.206 2.838 10 30 AFEERN O=C[C@H]1CCC[C@H]1c1ccccc1 39254335 571917509 /nfs/dbraw/zinc/91/75/09/571917509.db2.gz RRDDMVLLDFPZDS-NEPJUHHUSA-N 0 0 174.243 2.769 10 30 AFEERN Cc1ccc(C/C=C/CC=O)cc1 687679464 571917535 /nfs/dbraw/zinc/91/75/35/571917535.db2.gz HIBBGGHILYGJAS-NSCUHMNNSA-N 0 0 174.243 2.683 10 30 AFEERN Cc1cccc(C/C=C/CC=O)c1 687679466 571917546 /nfs/dbraw/zinc/91/75/46/571917546.db2.gz SJOXTLDFOXHAJS-NSCUHMNNSA-N 0 0 174.243 2.683 10 30 AFEERN O=C[C@@H](C1CCCCC1)C(F)(F)F 39258241 571917557 /nfs/dbraw/zinc/91/75/57/571917557.db2.gz QAMQWQFGNBLBMH-QMMMGPOBSA-N 0 0 194.196 2.944 10 30 AFEERN N#CC/C=C/Cc1ccc(F)cc1 687679519 571917558 /nfs/dbraw/zinc/91/75/58/571917558.db2.gz BUNLBISHXWPXQE-OWOJBTEDSA-N 0 0 175.206 2.838 10 30 AFEERN O=C[C@@H](c1ccccc1)C(F)(F)F 39258243 571917564 /nfs/dbraw/zinc/91/75/64/571917564.db2.gz UPAORLGJAFFCOV-QMMMGPOBSA-N 0 0 188.148 2.531 10 30 AFEERN N#CC/C=C/Cc1ccccc1F 687679528 571917600 /nfs/dbraw/zinc/91/76/00/571917600.db2.gz XHXUJCVYXKWGJP-OWOJBTEDSA-N 0 0 175.206 2.838 10 30 AFEERN CC1=C(C)c2ccccc2C1=O 39254920 571917625 /nfs/dbraw/zinc/91/76/25/571917625.db2.gz KAKPBCWFKRRXBA-UHFFFAOYSA-N 0 0 158.200 2.676 10 30 AFEERN O=C1C[C@H]2CCC[C@H]3CCCC1=C32 139324672 571917678 /nfs/dbraw/zinc/91/76/78/571917678.db2.gz HGNVJKWGDJAICO-DTWKUNHWSA-N 0 0 176.259 2.856 10 30 AFEERN CCCCCC1=CC(=O)CC1 39251766 571917717 /nfs/dbraw/zinc/91/77/17/571917717.db2.gz XUMYZVPKJLICNW-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN Cc1ccccc1C/C=C/CC=O 687679467 571917758 /nfs/dbraw/zinc/91/77/58/571917758.db2.gz SQGGBFSYLAYVDH-NSCUHMNNSA-N 0 0 174.243 2.683 10 30 AFEERN O=C1C[C@@H]2CCC[C@H]3CCCC1=C32 139324439 571917796 /nfs/dbraw/zinc/91/77/96/571917796.db2.gz HGNVJKWGDJAICO-IUCAKERBSA-N 0 0 176.259 2.856 10 30 AFEERN C[C@H](C=O)C[C@@H](C)C(C)(C)C 39252691 571917913 /nfs/dbraw/zinc/91/79/13/571917913.db2.gz MDPNPJLHOMJJKR-DTWKUNHWSA-N 0 0 156.269 2.894 10 30 AFEERN CC(=O)/C=C/[C@H]1CC=CC[C@H]1C 39254590 571917945 /nfs/dbraw/zinc/91/79/45/571917945.db2.gz TXVCAEVELYCMHW-FQZVFUSHSA-N 0 0 164.248 2.734 10 30 AFEERN CC(=O)/C=C/[C@@H]1CC=CC[C@H]1C 39254592 571918046 /nfs/dbraw/zinc/91/80/46/571918046.db2.gz TXVCAEVELYCMHW-KLCSSHHSSA-N 0 0 164.248 2.734 10 30 AFEERN CC1(C)CC=C[C@@]2(C)CC(=O)C=C12 39252326 571918115 /nfs/dbraw/zinc/91/81/15/571918115.db2.gz FVGLBFUGPIGYLB-LBPRGKRZSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCCCCC[C@@H](O)[C@H](C)OC 234735776 571918156 /nfs/dbraw/zinc/91/81/56/571918156.db2.gz DJNPXAXLQNKYFD-WDEREUQCSA-N 0 0 186.295 2.519 10 30 AFEERN C[C@H](O)CCCCCCCCC=O 39269165 571918509 /nfs/dbraw/zinc/91/85/09/571918509.db2.gz GKSDPBQHLXPSBV-NSHDSACASA-N 0 0 186.295 2.687 10 30 AFEERN N#Cc1cc(N)ccc1-c1ccccc1 47203528 571918510 /nfs/dbraw/zinc/91/85/10/571918510.db2.gz IEUOPJSUQDEKCD-UHFFFAOYSA-N 0 0 194.237 2.807 10 30 AFEERN C=CCCC(=O)[C@@H](C)CSC 300776240 571918661 /nfs/dbraw/zinc/91/86/61/571918661.db2.gz SPALKNLSACIWFE-QMMMGPOBSA-N 0 0 172.293 2.521 10 30 AFEERN C=C(C)c1cccc(NC(C)=O)c1 145523560 571918817 /nfs/dbraw/zinc/91/88/17/571918817.db2.gz IBHTXWGATUHQFD-UHFFFAOYSA-N 0 0 175.231 2.678 10 30 AFEERN C=CC[C@H](O)c1cccc(Cl)c1O 139377824 571919018 /nfs/dbraw/zinc/91/90/18/571919018.db2.gz DJXXPRZUOLPJTC-VIFPVBQESA-N 0 0 198.649 2.655 10 30 AFEERN O=CC/C=C/Cc1ccc(F)cc1 687679614 571919871 /nfs/dbraw/zinc/91/98/71/571919871.db2.gz ZJCKJUKPIYLDKC-OWOJBTEDSA-N 0 0 178.206 2.513 10 30 AFEERN CC#CCC[C@@H]1C(=O)Nc2ccccc21 232452749 571919383 /nfs/dbraw/zinc/91/93/83/571919383.db2.gz NYBKDIVKDZMQGG-NSHDSACASA-N 0 0 199.253 2.526 10 30 AFEERN C/C(=N/[S@@](=O)C(C)(C)C)C(C)C 216271213 571919645 /nfs/dbraw/zinc/91/96/45/571919645.db2.gz RDYKYUUGTHUYHS-CUZBXDDWSA-N 0 0 189.324 2.566 10 30 AFEERN O=CC1(Cc2ccccc2)CCCC1 39278655 571919672 /nfs/dbraw/zinc/91/96/72/571919672.db2.gz LDSLADRIGZBVCK-UHFFFAOYSA-N 0 0 188.270 2.988 10 30 AFEERN CCC1=C[C@H]2CCCC[C@@H]2C1=O 139424776 571919691 /nfs/dbraw/zinc/91/96/91/571919691.db2.gz QLLYAOOXSXSKQM-ZJUUUORDSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@@H]1CC=C(C)C(=O)C1(C)C 139380580 571920244 /nfs/dbraw/zinc/92/02/44/571920244.db2.gz QSVKQCPTISZWPM-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN N#Cc1ccc(F)c(-c2cccnc2)c1 47212960 571920359 /nfs/dbraw/zinc/92/03/59/571920359.db2.gz QHBPRLVQYTWNOS-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C=C(C)[C@@H]1C(=C)C=CC[C@H]1OC(C)=O 139417646 571920535 /nfs/dbraw/zinc/92/05/35/571920535.db2.gz YJIDJJQLHFCUCZ-VXGBXAGGSA-N 0 0 192.258 2.627 10 30 AFEERN C=C1CC[C@H](C)[C@H](CO)C1(C)C 139383114 571920809 /nfs/dbraw/zinc/92/08/09/571920809.db2.gz RBFSJHWXOXQCBT-WPRPVWTQSA-N 0 0 168.280 2.607 10 30 AFEERN CC1=CC[C@H](C)[C@@H](C=O)C1(C)C 139378743 571920914 /nfs/dbraw/zinc/92/09/14/571920914.db2.gz MKTYLZIZIWITKK-WCBMZHEXSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1CC[C@H](C)[C@@H](CO)C1(C)C 139382889 571920933 /nfs/dbraw/zinc/92/09/33/571920933.db2.gz RBFSJHWXOXQCBT-WCBMZHEXSA-N 0 0 168.280 2.607 10 30 AFEERN CCC1=C[C@@H]2CCCC[C@@H]2C1=O 139424637 571920941 /nfs/dbraw/zinc/92/09/41/571920941.db2.gz QLLYAOOXSXSKQM-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CC[C@@H](C)[C@@H](CO)C1(C)C 139382807 571921363 /nfs/dbraw/zinc/92/13/63/571921363.db2.gz RBFSJHWXOXQCBT-PSASIEDQSA-N 0 0 168.280 2.607 10 30 AFEERN CC1(C)C(=O)C=Cc2ccccc21 39319056 571921012 /nfs/dbraw/zinc/92/10/12/571921012.db2.gz QIRRMISWLDWHKK-UHFFFAOYSA-N 0 0 172.227 2.560 10 30 AFEERN CCN(C)N=C1CC(C)(C)C[C@@H]1C 308475638 571921041 /nfs/dbraw/zinc/92/10/41/571921041.db2.gz LWGUXIWSBFHCHG-VIFPVBQESA-N 0 0 182.311 2.750 10 30 AFEERN C=C(C)[C@H]1C(=C)C=CC[C@@H]1OC(C)=O 139417774 571921137 /nfs/dbraw/zinc/92/11/37/571921137.db2.gz YJIDJJQLHFCUCZ-RYUDHWBXSA-N 0 0 192.258 2.627 10 30 AFEERN C=C1CC[C@@H](C)[C@H](CO)C1(C)C 139382996 571921154 /nfs/dbraw/zinc/92/11/54/571921154.db2.gz RBFSJHWXOXQCBT-SCZZXKLOSA-N 0 0 168.280 2.607 10 30 AFEERN C=C1C[C@H]2CCC(=O)C[C@]2(C)C1 196141387 571921444 /nfs/dbraw/zinc/92/14/44/571921444.db2.gz IAKVTLOAIAILTL-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(CC)C[C@@H](O)[C@@H](C)CSC 300778404 571921525 /nfs/dbraw/zinc/92/15/25/571921525.db2.gz TXHCVIPKBDMMJX-VHSXEESVSA-N 0 0 188.336 2.703 10 30 AFEERN C=C1C[C@@H]2CCC(=O)C[C@@]2(C)C1 196141382 571921528 /nfs/dbraw/zinc/92/15/28/571921528.db2.gz IAKVTLOAIAILTL-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN N#Cc1ccc(F)cc1-c1ccncc1 47212945 571921546 /nfs/dbraw/zinc/92/15/46/571921546.db2.gz VQKHOEFMHZMDJT-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C=C(CC)C[C@H](O)[C@H](C)CSC 300778405 571921628 /nfs/dbraw/zinc/92/16/28/571921628.db2.gz TXHCVIPKBDMMJX-ZJUUUORDSA-N 0 0 188.336 2.703 10 30 AFEERN C=C1CC[C@H](C)[C@H](C=O)C1(C)C 139382037 571921702 /nfs/dbraw/zinc/92/17/02/571921702.db2.gz BFSOTYCHAMFUBX-WPRPVWTQSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@H]1CCC2=C1C(=O)CC2(C)C 139493211 571921828 /nfs/dbraw/zinc/92/18/28/571921828.db2.gz IEQGUHPWAWGIRY-ZETCQYMHSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=CC2(CCCC2)[C@@H](C)C1=O 139458513 571921901 /nfs/dbraw/zinc/92/19/01/571921901.db2.gz YTSBNPIPRSXGGF-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@](C)(C=O)OCc1ccccc1 39318605 571922063 /nfs/dbraw/zinc/92/20/63/571922063.db2.gz UTYZARXTRJPZAL-GFCCVEGCSA-N 0 0 192.258 2.571 10 30 AFEERN O=CC/C=C/Cc1ccccc1F 687679602 571922070 /nfs/dbraw/zinc/92/20/70/571922070.db2.gz ANRVNAYWHCZAQU-OWOJBTEDSA-N 0 0 178.206 2.513 10 30 AFEERN C/C=C(\CCCC)C(C)=O 39319906 571922182 /nfs/dbraw/zinc/92/21/82/571922182.db2.gz WBQLJTHOKVVSRN-WEVVVXLNSA-N 0 0 140.226 2.712 10 30 AFEERN C/C(C[C@H](C)Nc1ccccc1)=N\O 39331175 571922267 /nfs/dbraw/zinc/92/22/67/571922267.db2.gz JNGQWHINENKTKA-CVZWZAMJSA-N 0 0 192.262 2.727 10 30 AFEERN CC[C@@](C)(C=O)OCc1ccccc1 39318604 571922307 /nfs/dbraw/zinc/92/23/07/571922307.db2.gz UTYZARXTRJPZAL-LBPRGKRZSA-N 0 0 192.258 2.571 10 30 AFEERN C=CCC[C@@H](CCCC)NC(C)=O 196141126 571922350 /nfs/dbraw/zinc/92/23/50/571922350.db2.gz NRMIUVJLISJGDM-NSHDSACASA-N 0 0 183.295 2.648 10 30 AFEERN C=C1C[C@@H]2CCC(=O)C[C@]2(C)C1 196141376 571922427 /nfs/dbraw/zinc/92/24/27/571922427.db2.gz IAKVTLOAIAILTL-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C2CCC(=O)C=C2CCC1 39343192 571922509 /nfs/dbraw/zinc/92/25/09/571922509.db2.gz IOXMJZPWDSIMOZ-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN O=CC/C=C/C[C@H]1CCCCS1 687680380 571922721 /nfs/dbraw/zinc/92/27/21/571922721.db2.gz RFZINRWWSAQZJU-YOLVWIGZSA-N 0 0 184.304 2.807 10 30 AFEERN C=C(CC)C[C@H](O)[C@@H](C)CSC 300778403 571922727 /nfs/dbraw/zinc/92/27/27/571922727.db2.gz TXHCVIPKBDMMJX-UWVGGRQHSA-N 0 0 188.336 2.703 10 30 AFEERN O=CC/C=C/C[C@@H]1CCCCS1 687680379 571922734 /nfs/dbraw/zinc/92/27/34/571922734.db2.gz RFZINRWWSAQZJU-TXXBHVLJSA-N 0 0 184.304 2.807 10 30 AFEERN CC(C)=C/C=C1\CCCC1=O 39318498 571922947 /nfs/dbraw/zinc/92/29/47/571922947.db2.gz POTNMMAATDRGAL-VQHVLOKHSA-N 0 0 150.221 2.632 10 30 AFEERN C=C(C)C[C@]1(C)C=C(C)C(=O)C1 196141968 571923207 /nfs/dbraw/zinc/92/32/07/571923207.db2.gz DASQTNRAJXZAAR-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)C[C@H]1C=C(C)C(=O)CC1 196141673 571923235 /nfs/dbraw/zinc/92/32/35/571923235.db2.gz JMMNQCCHLNCYMW-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)CCC(=O)[C@@H](C)CSC 300781585 571923368 /nfs/dbraw/zinc/92/33/68/571923368.db2.gz VCIDUSSFXUIWTG-VIFPVBQESA-N 0 0 186.320 2.911 10 30 AFEERN O=CC/C=C/C[C@H]1CCCSC1 687680433 571923439 /nfs/dbraw/zinc/92/34/39/571923439.db2.gz PLODHAYGFJGQLP-YOLVWIGZSA-N 0 0 184.304 2.665 10 30 AFEERN CCCCNN=CCCCSC 393439641 571923488 /nfs/dbraw/zinc/92/34/88/571923488.db2.gz XUVYBKWFBUACIJ-UHFFFAOYSA-N 0 0 188.340 2.505 10 30 AFEERN O=CC/C=C/C[C@@H]1CCCSC1 687680432 571923659 /nfs/dbraw/zinc/92/36/59/571923659.db2.gz PLODHAYGFJGQLP-TXXBHVLJSA-N 0 0 184.304 2.665 10 30 AFEERN C=C(C)C[C@@]1(C)C=C(C)C(=O)C1 196141976 571923742 /nfs/dbraw/zinc/92/37/42/571923742.db2.gz DASQTNRAJXZAAR-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)C[C@@H]1CCC(=O)C=C1C 196141697 571923880 /nfs/dbraw/zinc/92/38/80/571923880.db2.gz CDVJSYQTLHCLFA-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN CCC(CC)COC/C=C/CS 300777715 571923903 /nfs/dbraw/zinc/92/39/03/571923903.db2.gz SYBDLWMTKUHTRW-AATRIKPKSA-N 0 0 188.336 2.925 10 30 AFEERN N#CC/C=C/C[C@H]1CCCSC1 687680085 571923993 /nfs/dbraw/zinc/92/39/93/571923993.db2.gz PMFMYADOIQNTKE-YOLVWIGZSA-N 0 0 181.304 2.990 10 30 AFEERN N#CC/C=C/CC1CCSCC1 687680081 571924146 /nfs/dbraw/zinc/92/41/46/571924146.db2.gz GZBYJZIXCKNCFG-OWOJBTEDSA-N 0 0 181.304 2.990 10 30 AFEERN O=CC/C=C/CC1CCSCC1 687680374 571924316 /nfs/dbraw/zinc/92/43/16/571924316.db2.gz CMGKQEPRDDHUEY-OWOJBTEDSA-N 0 0 184.304 2.665 10 30 AFEERN C=C(C)[C@H]1CCC(C)(C)C[C@@H]1O 196143256 571924363 /nfs/dbraw/zinc/92/43/63/571924363.db2.gz DPAXSKDAUACDJG-ZJUUUORDSA-N 0 0 168.280 2.750 10 30 AFEERN CCC1=C2CCCC[C@H]2CC1=O 39374939 571924590 /nfs/dbraw/zinc/92/45/90/571924590.db2.gz IVDMJTOUIQUUKK-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C=CC[C@@]1(C)C=CC=C(C)C1=O 39350436 571924600 /nfs/dbraw/zinc/92/46/00/571924600.db2.gz UNNDVKJQJHWYQF-NSHDSACASA-N 0 0 162.232 2.654 10 30 AFEERN N#CC/C=C/C[C@@H]1CCCSC1 687680084 571924808 /nfs/dbraw/zinc/92/48/08/571924808.db2.gz PMFMYADOIQNTKE-TXXBHVLJSA-N 0 0 181.304 2.990 10 30 AFEERN CC[C@@H]1C(=O)C=C2CCCC[C@H]21 39374936 571924834 /nfs/dbraw/zinc/92/48/34/571924834.db2.gz JMBUFQVXUKITRS-VHSXEESVSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@H]1C(=O)C=C2CCCC[C@H]21 39374935 571924898 /nfs/dbraw/zinc/92/48/98/571924898.db2.gz JMBUFQVXUKITRS-NXEZZACHSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@]1(C)C=CC=C(C)C1=O 39350435 571924903 /nfs/dbraw/zinc/92/49/03/571924903.db2.gz UNNDVKJQJHWYQF-LLVKDONJSA-N 0 0 162.232 2.654 10 30 AFEERN CC[C@@H]1C(=O)C=C2CCCC[C@@H]21 39374938 571924983 /nfs/dbraw/zinc/92/49/83/571924983.db2.gz JMBUFQVXUKITRS-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)[C@@H]1CCC(C)(C)C[C@@H]1O 196143252 571925259 /nfs/dbraw/zinc/92/52/59/571925259.db2.gz DPAXSKDAUACDJG-UWVGGRQHSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@H]1CCC(C)(C)C[C@H]1O 196143267 571925276 /nfs/dbraw/zinc/92/52/76/571925276.db2.gz DPAXSKDAUACDJG-NXEZZACHSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@H](O)CCC=C(C)C 39373073 571925290 /nfs/dbraw/zinc/92/52/90/571925290.db2.gz MOANGYVAQJTAAS-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN C#CC(C)(C)Oc1ccc(C)cc1C#N 235774933 571925292 /nfs/dbraw/zinc/92/52/92/571925292.db2.gz GOHRGFRWFDSRSQ-UHFFFAOYSA-N 0 0 199.253 2.657 10 30 AFEERN CC[C@H]1C(=O)C=C2CCCC[C@@H]21 39374937 571925522 /nfs/dbraw/zinc/92/55/22/571925522.db2.gz JMBUFQVXUKITRS-ZJUUUORDSA-N 0 0 164.248 2.712 10 30 AFEERN COc1ccccc1C/C=C/CC#N 687680696 571925606 /nfs/dbraw/zinc/92/56/06/571925606.db2.gz YFDAUSGYEGPUFU-NSCUHMNNSA-N 0 0 187.242 2.708 10 30 AFEERN CCCCC1=C[C@H](C)CC1=O 196159725 571925791 /nfs/dbraw/zinc/92/57/91/571925791.db2.gz DTZPJCYIFDQHMN-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C[C@]1(C)CC(=O)C=C1C 196141994 571925858 /nfs/dbraw/zinc/92/58/58/571925858.db2.gz FZOBMBZAPYQLAX-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CC1=C[C@@H](c2ccccc2)CC1=O 196147729 571926096 /nfs/dbraw/zinc/92/60/96/571926096.db2.gz VDIQMUITJDCQSA-LLVKDONJSA-N 0 0 172.227 2.689 10 30 AFEERN CCCCC1=C[C@@H](C)CC1=O 196159728 571926179 /nfs/dbraw/zinc/92/61/79/571926179.db2.gz DTZPJCYIFDQHMN-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C[C@@H]1CC(=O)C(C)=C1C 196142012 571926191 /nfs/dbraw/zinc/92/61/91/571926191.db2.gz BFPOFLRYXNKTGY-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN CC1=C[C@H](c2ccccc2)CC1=O 196147724 571926343 /nfs/dbraw/zinc/92/63/43/571926343.db2.gz VDIQMUITJDCQSA-NSHDSACASA-N 0 0 172.227 2.689 10 30 AFEERN C=C(C)C[C@@]1(C)CC(=O)C=C1C 196142003 571926354 /nfs/dbraw/zinc/92/63/54/571926354.db2.gz FZOBMBZAPYQLAX-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)[C@@H]1CCC(C)(C)C[C@H]1O 196143261 571926968 /nfs/dbraw/zinc/92/69/68/571926968.db2.gz DPAXSKDAUACDJG-VHSXEESVSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C[C@H]1CC(=O)C(C)=C1C 196142010 571926992 /nfs/dbraw/zinc/92/69/92/571926992.db2.gz BFPOFLRYXNKTGY-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN COc1ccc(C/C=C/CC#N)cc1 687680729 571927244 /nfs/dbraw/zinc/92/72/44/571927244.db2.gz HVHBBROVWZRBRM-NSCUHMNNSA-N 0 0 187.242 2.708 10 30 AFEERN CC1(C)CC(=O)C2=C(CCC2)C1 39399862 571927346 /nfs/dbraw/zinc/92/73/46/571927346.db2.gz AWSXDNSYLQFGDU-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C=C[C@H](C=O)CCCCC 39399917 571927474 /nfs/dbraw/zinc/92/74/74/571927474.db2.gz BZRFGSHIEAVIGD-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN COc1cccc(C/C=C/CC#N)c1 687680697 571927867 /nfs/dbraw/zinc/92/78/67/571927867.db2.gz ZCDXUKRPBLMUSY-NSCUHMNNSA-N 0 0 187.242 2.708 10 30 AFEERN C#CCCC(=O)CCC(C)(C)C 300790837 571927917 /nfs/dbraw/zinc/92/79/17/571927917.db2.gz XZSCCXSMERMPGP-UHFFFAOYSA-N 0 0 166.264 2.795 10 30 AFEERN C=C[C@@H](C=O)CCCCC 39399915 571927953 /nfs/dbraw/zinc/92/79/53/571927953.db2.gz BZRFGSHIEAVIGD-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@@]1(C=O)CC[C@@H](CC)C1 317182569 571928751 /nfs/dbraw/zinc/92/87/51/571928751.db2.gz SEOXIDRZPKWTKU-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN CCC(CC)COCCCS 300790754 571928908 /nfs/dbraw/zinc/92/89/08/571928908.db2.gz XVWWWETUDXTEAV-UHFFFAOYSA-N 0 0 176.325 2.759 10 30 AFEERN C/C=C\CN(C)c1ccccc1C#N 211588621 571929186 /nfs/dbraw/zinc/92/91/86/571929186.db2.gz MXUNMFFYJDZFMN-ARJAWSKDSA-N 0 0 186.258 2.571 10 30 AFEERN O=CC/C=C\CSc1ccccc1 687681429 571929342 /nfs/dbraw/zinc/92/93/42/571929342.db2.gz NZKYZILWARFYHE-KXFIGUGUSA-N 0 0 192.283 2.924 10 30 AFEERN O=CCCC[C@@H]1CCC(F)(F)C1 300793815 571929438 /nfs/dbraw/zinc/92/94/38/571929438.db2.gz ZDQLZHVKUPIFIR-MRVPVSSYSA-N 0 0 176.206 2.791 10 30 AFEERN CC(C)[C@@H](C#N)c1ccc(O)cc1 39423418 571929814 /nfs/dbraw/zinc/92/98/14/571929814.db2.gz UMYCEVQRDMCARW-LLVKDONJSA-N 0 0 175.231 2.655 10 30 AFEERN C[C@@H]1CCCC2=CC(=O)C[C@@]21C 196158495 571930551 /nfs/dbraw/zinc/93/05/51/571930551.db2.gz ACEBXKGGEGRLSU-LDYMZIIASA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1CC(=O)C2=C(CCCC2)C1 196149515 571930720 /nfs/dbraw/zinc/93/07/20/571930720.db2.gz KZJYGNGGGGIQNW-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN C=C(C)[C@@H]1C(=O)[C@H]2CCCC[C@@H]21 196149561 571930724 /nfs/dbraw/zinc/93/07/24/571930724.db2.gz YCKWHGDODMMJLU-GUBZILKMSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@H]1CC(=O)C2=C(CCCC2)C1 196149518 571930736 /nfs/dbraw/zinc/93/07/36/571930736.db2.gz KZJYGNGGGGIQNW-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C=C(CC)CC(=O)[C@H](OC)C(C)C 131988780 571938521 /nfs/dbraw/zinc/93/85/21/571938521.db2.gz FJEDATYWWRMJGG-LLVKDONJSA-N 0 0 184.279 2.583 10 30 AFEERN C[C@H]1CCCC2=CC(=O)C[C@@]21C 196158501 571930859 /nfs/dbraw/zinc/93/08/59/571930859.db2.gz ACEBXKGGEGRLSU-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1CCC2=C(CCCC2)C1=O 196149533 571930868 /nfs/dbraw/zinc/93/08/68/571930868.db2.gz GCOBRTNDQYDODH-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C[C@@H]1CCC2=C(CCCC2)C1=O 196149525 571930908 /nfs/dbraw/zinc/93/09/08/571930908.db2.gz GCOBRTNDQYDODH-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN CC(C)[C@H](C#N)c1ccc(O)cc1 39423419 571930919 /nfs/dbraw/zinc/93/09/19/571930919.db2.gz UMYCEVQRDMCARW-NSHDSACASA-N 0 0 175.231 2.655 10 30 AFEERN C[C@@H]1CCCC2=CC(=O)C[C@]21C 196158487 571931053 /nfs/dbraw/zinc/93/10/53/571931053.db2.gz ACEBXKGGEGRLSU-KCJUWKMLSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCC[S@@](=O)Cc1ccccc1 196548999 571931387 /nfs/dbraw/zinc/93/13/87/571931387.db2.gz BESOFTHGFCIFFC-CYBMUJFWSA-N 0 0 194.299 2.511 10 30 AFEERN CC(=O)C/C=C\C#CC(C)(C)C 211725764 571931479 /nfs/dbraw/zinc/93/14/79/571931479.db2.gz PKAWRCWJILCYCJ-WAYWQWQTSA-N 0 0 164.248 2.571 10 30 AFEERN C=C(COC(C)C)C(=O)C1=CCCC1 387426840 571931576 /nfs/dbraw/zinc/93/15/76/571931576.db2.gz HLBPINNAOMIGIA-UHFFFAOYSA-N 0 0 194.274 2.647 10 30 AFEERN C=CCC[C@H](O)CC1(C)CC1 401356149 571931710 /nfs/dbraw/zinc/93/17/10/571931710.db2.gz DXLDAHNZENWSRW-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN C=CC(=C)[C@H](O)/C=C/c1ccccc1 34618616 571931961 /nfs/dbraw/zinc/93/19/61/571931961.db2.gz FSVPQCSKMINBAD-WTNCMQEWSA-N 0 0 186.254 2.803 10 30 AFEERN C[C@H]1CCC[C@H](COCCC#N)C1 300789954 571932105 /nfs/dbraw/zinc/93/21/05/571932105.db2.gz UIBBKRHPELLUPG-QWRGUYRKSA-N 0 0 181.279 2.743 10 30 AFEERN C=CC[C@@H](/C=C\OCCO)CCC 216647377 571932153 /nfs/dbraw/zinc/93/21/53/571932153.db2.gz JXVNCXOOZAASMY-GXMKHXEJSA-N 0 0 184.279 2.501 10 30 AFEERN CCC(C)(C)CCN(C)[C@H](C)C#N 711253188 571932323 /nfs/dbraw/zinc/93/23/23/571932323.db2.gz HVSJTJVINVNYFM-SNVBAGLBSA-N 0 0 182.311 2.657 10 30 AFEERN C=CCCOc1cc(Cl)ccc1N 711264397 571932479 /nfs/dbraw/zinc/93/24/79/571932479.db2.gz GJINLWQAWKLMSW-UHFFFAOYSA-N 0 0 197.665 2.877 10 30 AFEERN C[C@H]1CCC[C@@H](COCCC#N)C1 300789956 571933378 /nfs/dbraw/zinc/93/33/78/571933378.db2.gz UIBBKRHPELLUPG-WDEREUQCSA-N 0 0 181.279 2.743 10 30 AFEERN CCC(C)(C)CCN(C)[C@@H](C)C#N 711253186 571933463 /nfs/dbraw/zinc/93/34/63/571933463.db2.gz HVSJTJVINVNYFM-JTQLQIEISA-N 0 0 182.311 2.657 10 30 AFEERN CC1(C)CCC[C@]2(C)C[C@]12C=O 39593908 571933811 /nfs/dbraw/zinc/93/38/11/571933811.db2.gz HATWIZGWFWNXDH-MNOVXSKESA-N 0 0 166.264 2.792 10 30 AFEERN CC1(C)CCC[C@@]2(C)C[C@@]12C=O 39593910 571933821 /nfs/dbraw/zinc/93/38/21/571933821.db2.gz HATWIZGWFWNXDH-WDEREUQCSA-N 0 0 166.264 2.792 10 30 AFEERN C=CCC[C@@H](O)CC1(C)CC1 401356145 571934131 /nfs/dbraw/zinc/93/41/31/571934131.db2.gz DXLDAHNZENWSRW-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN CCSCC(=O)CC#CC(C)(C)C 300798180 571934174 /nfs/dbraw/zinc/93/41/74/571934174.db2.gz VAMBAFKKZGCCQY-UHFFFAOYSA-N 0 0 198.331 2.748 10 30 AFEERN C[C@@H]1CCC[C@H](COCCC#N)C1 300789953 571934291 /nfs/dbraw/zinc/93/42/91/571934291.db2.gz UIBBKRHPELLUPG-MNOVXSKESA-N 0 0 181.279 2.743 10 30 AFEERN N#CC/C=C\CN1CCc2ccccc21 687682261 571934647 /nfs/dbraw/zinc/93/46/47/571934647.db2.gz DYABLPKCNCNOBK-KTAJNNJTSA-N 0 0 198.269 2.519 10 30 AFEERN C[C@@H]1CCC[C@@H](COCCC#N)C1 300789951 571934784 /nfs/dbraw/zinc/93/47/84/571934784.db2.gz UIBBKRHPELLUPG-GHMZBOCLSA-N 0 0 181.279 2.743 10 30 AFEERN C=CC(=C)[C@@H](O)/C=C/c1ccccc1 34618618 571934815 /nfs/dbraw/zinc/93/48/15/571934815.db2.gz FSVPQCSKMINBAD-LXKVQUBZSA-N 0 0 186.254 2.803 10 30 AFEERN CCCC[C@@H](C)[C@H](C)C=O 39646293 571935263 /nfs/dbraw/zinc/93/52/63/571935263.db2.gz VOVLKKSPNOZAAX-RKDXNWHRSA-N 0 0 142.242 2.648 10 30 AFEERN C[C@@H]1C[C@@H]2[C@H](C[C@@H]1C=O)C2(C)C 39629397 571935484 /nfs/dbraw/zinc/93/54/84/571935484.db2.gz KUMFUECLVYOXGL-KYXWUPHJSA-N 0 0 166.264 2.504 10 30 AFEERN c1ccc(/N=C2\CCCO2)cc1 39643212 571935596 /nfs/dbraw/zinc/93/55/96/571935596.db2.gz OBPXVPJJBURPNC-ZHACJKMWSA-N 0 0 161.204 2.527 10 30 AFEERN CCCC[C@H](C)[C@@H](C)C=O 39646292 571935967 /nfs/dbraw/zinc/93/59/67/571935967.db2.gz VOVLKKSPNOZAAX-IUCAKERBSA-N 0 0 142.242 2.648 10 30 AFEERN CCCC[C@@H](C)[C@@H](C)C=O 39646291 571936055 /nfs/dbraw/zinc/93/60/55/571936055.db2.gz VOVLKKSPNOZAAX-BDAKNGLRSA-N 0 0 142.242 2.648 10 30 AFEERN C[C@H]1C[C@@H]2[C@H](C[C@@H]1C=O)C2(C)C 39629399 571936126 /nfs/dbraw/zinc/93/61/26/571936126.db2.gz KUMFUECLVYOXGL-JLIMGVALSA-N 0 0 166.264 2.504 10 30 AFEERN C#CC[C@@H]1CCCC[C@]1(O)CC=C 139096906 571936509 /nfs/dbraw/zinc/93/65/09/571936509.db2.gz LPXLWDBPWQMJHE-VXGBXAGGSA-N 0 0 178.275 2.507 10 30 AFEERN C=C(F)[C@@H](O)/C=C\c1ccccc1 216777196 571936556 /nfs/dbraw/zinc/93/65/56/571936556.db2.gz LYHFUFDQEQMEMD-TVRMLOFPSA-N 0 0 178.206 2.544 10 30 AFEERN C/C=C(\CC)C(=O)[C@H](C)CC 233968252 571936979 /nfs/dbraw/zinc/93/69/79/571936979.db2.gz PPBMEHVOAGRMPB-GTUWVTDSSA-N 0 0 154.253 2.958 10 30 AFEERN CCN(C)N=C1CCC12CCCC2 308498318 571937110 /nfs/dbraw/zinc/93/71/10/571937110.db2.gz VGHQKYIVLORQPB-UHFFFAOYSA-N 0 0 180.295 2.648 10 30 AFEERN CCCC[C@H](C)[C@H](C)C=O 39646294 571937292 /nfs/dbraw/zinc/93/72/92/571937292.db2.gz VOVLKKSPNOZAAX-DTWKUNHWSA-N 0 0 142.242 2.648 10 30 AFEERN C=C(C)CCc1nc(C)cs1 711275549 571937385 /nfs/dbraw/zinc/93/73/85/571937385.db2.gz SPLFESWCNBYCJK-UHFFFAOYSA-N 0 0 167.277 2.960 10 30 AFEERN CC(C)C[C@@H](C#N)C(=O)[C@@H]1CC1(C)C 232586772 571937823 /nfs/dbraw/zinc/93/78/23/571937823.db2.gz UZDOGEHJXYKDKL-UWVGGRQHSA-N 0 0 193.290 2.787 10 30 AFEERN CC=CC(=O)[C@H](C)C=C/C=C/C 687810719 571938342 /nfs/dbraw/zinc/93/83/42/571938342.db2.gz MDMUYJBMDRPUAP-JDTQGHSWSA-N 0 0 164.248 2.900 10 30 AFEERN CC=CC(=O)[C@H](C)C=C/C=C/C 687810720 571938480 /nfs/dbraw/zinc/93/84/80/571938480.db2.gz MDMUYJBMDRPUAP-YWBPUECSSA-N 0 0 164.248 2.900 10 30 AFEERN C#CCCCNc1cccc(C)c1C#N 235783887 571938584 /nfs/dbraw/zinc/93/85/84/571938584.db2.gz PYLULAQQDQQOSC-UHFFFAOYSA-N 0 0 198.269 2.692 10 30 AFEERN CCC/C=C\[C@@H](O)C#C[Si](C)(C)C 200044185 571939078 /nfs/dbraw/zinc/93/90/78/571939078.db2.gz GNHQNSGTABMJCS-SKVAFPRGSA-N 0 0 196.366 2.584 10 30 AFEERN C=CCC1(CC=C)CCCC1=O 34621864 571939153 /nfs/dbraw/zinc/93/91/53/571939153.db2.gz ZKFKUDQQNWSSIR-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN C=CCCCC(=O)[C@H](OC)C(C)C 131996673 571939202 /nfs/dbraw/zinc/93/92/02/571939202.db2.gz PAQHTUUVOODNLW-LLVKDONJSA-N 0 0 184.279 2.583 10 30 AFEERN C=C(C)[C@H]1CC=C(C)C(=NOC)C1 308491096 571939304 /nfs/dbraw/zinc/93/93/04/571939304.db2.gz RFVBREOOHOLCLZ-JTQLQIEISA-N 0 0 179.263 2.921 10 30 AFEERN O=CC1=C(O)C2(CCCC2)CCC1 308481965 571939718 /nfs/dbraw/zinc/93/97/18/571939718.db2.gz LVZLUTZRTDQJIR-CMDGGOBGSA-N 0 0 180.247 2.742 10 30 AFEERN C=CCCOc1ccc(C)cc1C#N 235779446 571939754 /nfs/dbraw/zinc/93/97/54/571939754.db2.gz MLCUGEJOBUSTKR-UHFFFAOYSA-N 0 0 187.242 2.822 10 30 AFEERN C=CC[C@H](CO)C[C@H](C)CC(F)F 687901890 571939759 /nfs/dbraw/zinc/93/97/59/571939759.db2.gz RAGYSSWMNSZFCR-IUCAKERBSA-N 0 0 192.249 2.852 10 30 AFEERN C=C(CC)CC(=O)[C@@H](OC)C(C)C 131988996 571939819 /nfs/dbraw/zinc/93/98/19/571939819.db2.gz FJEDATYWWRMJGG-NSHDSACASA-N 0 0 184.279 2.583 10 30 AFEERN C=CC[C@H](CO)C[C@@H](C)CC(F)F 687901886 571940071 /nfs/dbraw/zinc/94/00/71/571940071.db2.gz RAGYSSWMNSZFCR-BDAKNGLRSA-N 0 0 192.249 2.852 10 30 AFEERN C=CCCCCC[C@H](O)[C@@H](C)OC 234765275 571940165 /nfs/dbraw/zinc/94/01/65/571940165.db2.gz DJNPXAXLQNKYFD-MNOVXSKESA-N 0 0 186.295 2.519 10 30 AFEERN C=CC[C@@H](CO)C[C@@H](C)CC(F)F 687901892 571940201 /nfs/dbraw/zinc/94/02/01/571940201.db2.gz RAGYSSWMNSZFCR-RKDXNWHRSA-N 0 0 192.249 2.852 10 30 AFEERN CCC/C=C\[C@H](O)C#C[Si](C)(C)C 200044151 571940204 /nfs/dbraw/zinc/94/02/04/571940204.db2.gz GNHQNSGTABMJCS-TVRMLOFPSA-N 0 0 196.366 2.584 10 30 AFEERN C=CC[C@@H](CO)C[C@H](C)CC(F)F 687901888 571940441 /nfs/dbraw/zinc/94/04/41/571940441.db2.gz RAGYSSWMNSZFCR-DTWKUNHWSA-N 0 0 192.249 2.852 10 30 AFEERN Cc1cccc(NCCCC#N)c1C#N 235783936 571940641 /nfs/dbraw/zinc/94/06/41/571940641.db2.gz VTXLZIOJKOCEED-UHFFFAOYSA-N 0 0 199.257 2.582 10 30 AFEERN C(=NN1CCCCC1)c1ccsc1 379403661 571941191 /nfs/dbraw/zinc/94/11/91/571941191.db2.gz PVPLYHBVSYMKOY-UHFFFAOYSA-N 0 0 194.303 2.568 10 30 AFEERN CC(C)(C)C#CC[C@@H]1CCCC[C@@H]1O 300826878 571941739 /nfs/dbraw/zinc/94/17/39/571941739.db2.gz GWHLVTUMPQITBE-RYUDHWBXSA-N 0 0 194.318 2.977 10 30 AFEERN C=CCC(=O)[C@H]1CCC(F)(F)C1 300895211 571941779 /nfs/dbraw/zinc/94/17/79/571941779.db2.gz MZYKWGMGZWWIAS-ZETCQYMHSA-N 0 0 174.190 2.567 10 30 AFEERN CO[C@H](C)CC(=O)C1=CCCCCC1 234765942 571941839 /nfs/dbraw/zinc/94/18/39/571941839.db2.gz GAFBISYBJPZSQS-SNVBAGLBSA-N 0 0 196.290 2.871 10 30 AFEERN C=CCC(=O)[C@@H]1CCC(F)(F)C1 300895206 571941859 /nfs/dbraw/zinc/94/18/59/571941859.db2.gz MZYKWGMGZWWIAS-SSDOTTSWSA-N 0 0 174.190 2.567 10 30 AFEERN CO[C@H](C)CCC(=O)C1=CCCCC1 234767961 571941985 /nfs/dbraw/zinc/94/19/85/571941985.db2.gz OLIFVZKDUDAKJN-SNVBAGLBSA-N 0 0 196.290 2.871 10 30 AFEERN CC1=C(C#C[C@@H](C)O)C(C)(C)CCC1 220820166 571941998 /nfs/dbraw/zinc/94/19/98/571941998.db2.gz RLTJREINLZYBPP-LLVKDONJSA-N 0 0 192.302 2.897 10 30 AFEERN C=C(C)C[C@H](O)[C@H]1CCC(F)(F)C1 300869981 571942154 /nfs/dbraw/zinc/94/21/54/571942154.db2.gz JVGGCKYMECRINQ-IUCAKERBSA-N 0 0 190.233 2.749 10 30 AFEERN CC(=O)C1=C(O)CCC(C)(C)C1 70654406 571942363 /nfs/dbraw/zinc/94/23/63/571942363.db2.gz JIKCEEKLWQXIPB-BQYQJAHWSA-N 0 0 168.236 2.598 10 30 AFEERN CCCCCCCCOCCC=O 79191513 571942415 /nfs/dbraw/zinc/94/24/15/571942415.db2.gz PLNHJEHLNYTFCA-UHFFFAOYSA-N 0 0 186.295 2.953 10 30 AFEERN C=CCC[C@](C)(O)c1cnc(C)s1 687901596 571942440 /nfs/dbraw/zinc/94/24/40/571942440.db2.gz IIJLMANGPDICED-JTQLQIEISA-N 0 0 197.303 2.625 10 30 AFEERN C#Cc1ccc(CC)c(C)c1 300862232 571942502 /nfs/dbraw/zinc/94/25/02/571942502.db2.gz JFJKLSLOCFYYBT-UHFFFAOYSA-N 0 0 144.217 2.539 10 30 AFEERN CC(C)(CF)c1ccc(C#N)cc1 221233109 571942600 /nfs/dbraw/zinc/94/26/00/571942600.db2.gz OYKQHKJGIUTYJJ-UHFFFAOYSA-N 0 0 177.222 2.805 10 30 AFEERN C=CC[C@@H](O)[C@@H]1CCCC(F)(F)C1 300862982 571942673 /nfs/dbraw/zinc/94/26/73/571942673.db2.gz IZRDDFQNXWSNTB-RKDXNWHRSA-N 0 0 190.233 2.749 10 30 AFEERN C=CCCCCCn1nccc1C 235786960 571943239 /nfs/dbraw/zinc/94/32/39/571943239.db2.gz OBKNDLRMHXZUDZ-UHFFFAOYSA-N 0 0 178.279 2.938 10 30 AFEERN CO[C@@H](C(=O)C1=CCCCC1)C(C)C 234774053 571943232 /nfs/dbraw/zinc/94/32/32/571943232.db2.gz VFESENCJDCTEMX-GFCCVEGCSA-N 0 0 196.290 2.727 10 30 AFEERN C=CC[C@@H](O)C[C@H](CC)CC(F)F 687901646 571943509 /nfs/dbraw/zinc/94/35/09/571943509.db2.gz IWQVOYGOIFQYIQ-DTWKUNHWSA-N 0 0 192.249 2.995 10 30 AFEERN C=CCCCOc1cccc(C)c1N 711312668 571944279 /nfs/dbraw/zinc/94/42/79/571944279.db2.gz AASCNAROHZBVCA-UHFFFAOYSA-N 0 0 191.274 2.922 10 30 AFEERN C=CC[C@H](O)C[C@@H](CC)CC(F)F 687901645 571943629 /nfs/dbraw/zinc/94/36/29/571943629.db2.gz IWQVOYGOIFQYIQ-BDAKNGLRSA-N 0 0 192.249 2.995 10 30 AFEERN [N-]=[N+]=Nc1sccc1[N+](=O)[O-] 687749933 571943689 /nfs/dbraw/zinc/94/36/89/571943689.db2.gz QILAGPGWGBJBQQ-UHFFFAOYSA-N 0 0 170.153 2.598 10 30 AFEERN CC(C)(C)C#CCCC[C@H](O)C1CC1 300808494 571943726 /nfs/dbraw/zinc/94/37/26/571943726.db2.gz WVTCOSLUQLOGRT-LBPRGKRZSA-N 0 0 194.318 2.977 10 30 AFEERN C=CC[C@H](O)C[C@H](CC)CC(F)F 687901647 571943777 /nfs/dbraw/zinc/94/37/77/571943777.db2.gz IWQVOYGOIFQYIQ-IUCAKERBSA-N 0 0 192.249 2.995 10 30 AFEERN CC(C)(C)C#CC[C@H]1CCCC[C@@H]1O 300826876 571943895 /nfs/dbraw/zinc/94/38/95/571943895.db2.gz GWHLVTUMPQITBE-NEPJUHHUSA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)(C)C#CCCC[C@@H](O)C1CC1 300808491 571944262 /nfs/dbraw/zinc/94/42/62/571944262.db2.gz WVTCOSLUQLOGRT-GFCCVEGCSA-N 0 0 194.318 2.977 10 30 AFEERN C=CCC[C@@](C)(O)c1cnc(C)s1 687901600 571943886 /nfs/dbraw/zinc/94/38/86/571943886.db2.gz IIJLMANGPDICED-SNVBAGLBSA-N 0 0 197.303 2.625 10 30 AFEERN C=C1CCCC[C@H]1CC(C)=O 196416187 571944456 /nfs/dbraw/zinc/94/44/56/571944456.db2.gz ORBJQJMGGOGIDW-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C[C@@]1(C=O)C=CC=Cc2ccccc21 196402818 571944473 /nfs/dbraw/zinc/94/44/73/571944473.db2.gz MEOXNKCZQMKFKF-ZDUSSCGKSA-N 0 0 184.238 2.726 10 30 AFEERN [N-]=[N+]=Nc1ccsc1C1OCCO1 196413148 571944494 /nfs/dbraw/zinc/94/44/94/571944494.db2.gz BYRGLPMECRQRSS-UHFFFAOYSA-N 0 0 197.219 2.735 10 30 AFEERN C=CCC(=O)[C@@H]1CCCC(F)(F)C1 300834466 571944553 /nfs/dbraw/zinc/94/45/53/571944553.db2.gz FSXKKKURXLIMHZ-MRVPVSSYSA-N 0 0 188.217 2.957 10 30 AFEERN C[C@@H]1[C@@H](O)CC[C@@H]1CC#CC(C)(C)C 300801280 571944655 /nfs/dbraw/zinc/94/46/55/571944655.db2.gz VMGIWLMLZNOENH-SRVKXCTJSA-N 0 0 194.318 2.833 10 30 AFEERN C=C(C)[C@H]1CC=C(C)[C@@]2(CO2)C1 196413531 571944685 /nfs/dbraw/zinc/94/46/85/571944685.db2.gz NXVYPQNECMQFAA-QWRGUYRKSA-N 0 0 164.248 2.688 10 30 AFEERN C=CC(C)(C)[C@@]1(C)CCCC1=O 196409118 571944805 /nfs/dbraw/zinc/94/48/05/571944805.db2.gz YVVCZATVERJAOT-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCC(=O)[C@@H](OCC)C(C)C 132017114 571944872 /nfs/dbraw/zinc/94/48/72/571944872.db2.gz KDOQUIAEXBZGNZ-NSHDSACASA-N 0 0 184.279 2.583 10 30 AFEERN C[C@@]1(C=O)CCc2ccccc2S1 75580999 571944881 /nfs/dbraw/zinc/94/48/81/571944881.db2.gz HRABLLVIVMXRND-NSHDSACASA-N 0 0 192.283 2.683 10 30 AFEERN C[C@]1(C=O)C=CC=Cc2ccccc21 196402810 571944922 /nfs/dbraw/zinc/94/49/22/571944922.db2.gz MEOXNKCZQMKFKF-CYBMUJFWSA-N 0 0 184.238 2.726 10 30 AFEERN CC[C@@H](CC=O)[Si](C)(C)C 196404859 571944931 /nfs/dbraw/zinc/94/49/31/571944931.db2.gz ZHIPPNZQBBRCTB-QMMMGPOBSA-N 0 0 158.317 2.694 10 30 AFEERN CC1=CC(=O)C[C@@H]2CCCC[C@@H]12 196412875 571945148 /nfs/dbraw/zinc/94/51/48/571945148.db2.gz NKOGNDOACUXLEK-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=CC(=O)C[C@H]2CCCC[C@H]12 196412854 571945340 /nfs/dbraw/zinc/94/53/40/571945340.db2.gz NKOGNDOACUXLEK-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H](C)[C@H](O)c1cccs1 196418460 571945351 /nfs/dbraw/zinc/94/53/51/571945351.db2.gz DLAPODKQMDCYGI-APPZFPTMSA-N 0 0 168.261 2.604 10 30 AFEERN C=CCCCCCC[C@@H](O)COC 234774780 571945476 /nfs/dbraw/zinc/94/54/76/571945476.db2.gz ZKJZTNNSONMVFJ-LLVKDONJSA-N 0 0 186.295 2.520 10 30 AFEERN CC1=CC(=O)C[C@H]2CCCC[C@@H]12 196412867 571945525 /nfs/dbraw/zinc/94/55/25/571945525.db2.gz NKOGNDOACUXLEK-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1C=O 31350583 571945530 /nfs/dbraw/zinc/94/55/30/571945530.db2.gz AUABNXZOGNPUSY-HBNTYKKESA-N 0 0 168.280 2.894 10 30 AFEERN C[C@@H]1CCC2=CC(=O)C(C)(C)C[C@@H]21 196414863 571945719 /nfs/dbraw/zinc/94/57/19/571945719.db2.gz IELOEASSSXYEBK-PSASIEDQSA-N 0 0 178.275 2.958 10 30 AFEERN C=C1CCCC[C@@H]1CC(C)=O 196416196 571945768 /nfs/dbraw/zinc/94/57/68/571945768.db2.gz ORBJQJMGGOGIDW-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C(=O)CCC)[Si](C)(C)C 196403616 571945778 /nfs/dbraw/zinc/94/57/78/571945778.db2.gz JBZODMWSJYROBJ-UHFFFAOYSA-N 0 0 170.328 2.789 10 30 AFEERN C[C@H]1CCC2=CC(=O)C(C)(C)C[C@H]21 196414851 571945936 /nfs/dbraw/zinc/94/59/36/571945936.db2.gz IELOEASSSXYEBK-WPRPVWTQSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCC(=O)[C@H](OCC)C(C)C 132017302 571946014 /nfs/dbraw/zinc/94/60/14/571946014.db2.gz KDOQUIAEXBZGNZ-LLVKDONJSA-N 0 0 184.279 2.583 10 30 AFEERN C=C[C@@H](C)[C@@H](O)c1cccs1 196418472 571946126 /nfs/dbraw/zinc/94/61/26/571946126.db2.gz DLAPODKQMDCYGI-VXNVDRBHSA-N 0 0 168.261 2.604 10 30 AFEERN C[C@@H]1[C@H](O)CC[C@@H]1CC#CC(C)(C)C 300801279 571946133 /nfs/dbraw/zinc/94/61/33/571946133.db2.gz VMGIWLMLZNOENH-SDDRHHMPSA-N 0 0 194.318 2.833 10 30 AFEERN C=CC(C)(C)[C@]1(C)CCCC1=O 196409127 571946168 /nfs/dbraw/zinc/94/61/68/571946168.db2.gz YVVCZATVERJAOT-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@H]1CC=C(C)[C@]2(CO2)C1 196413514 571946250 /nfs/dbraw/zinc/94/62/50/571946250.db2.gz NXVYPQNECMQFAA-WDEREUQCSA-N 0 0 164.248 2.688 10 30 AFEERN C[C@H]1[C@H](CC#CC(C)(C)C)CC[C@H]1O 300801277 571946253 /nfs/dbraw/zinc/94/62/53/571946253.db2.gz VMGIWLMLZNOENH-QJPTWQEYSA-N 0 0 194.318 2.833 10 30 AFEERN C=C[C@H](C)[C@H](O)c1cccs1 196418451 571946326 /nfs/dbraw/zinc/94/63/26/571946326.db2.gz DLAPODKQMDCYGI-CBAPKCEASA-N 0 0 168.261 2.604 10 30 AFEERN C[C@@H]1CCC2=CC(=O)C(C)(C)C[C@H]21 196414845 571946374 /nfs/dbraw/zinc/94/63/74/571946374.db2.gz IELOEASSSXYEBK-SCZZXKLOSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H]1CC2(CCC2)CN1C(C)(C)C#N 334709939 571946533 /nfs/dbraw/zinc/94/65/33/571946533.db2.gz FBVLUCILWHUGHK-JTQLQIEISA-N 0 0 192.306 2.553 10 30 AFEERN [N-]=[N+]=Nc1cscc1C1OCCO1 196413169 571946573 /nfs/dbraw/zinc/94/65/73/571946573.db2.gz QCUCCNWCDOTIHL-UHFFFAOYSA-N 0 0 197.219 2.735 10 30 AFEERN Cc1cc(OCC=O)cc(C)c1Cl 11584298 571946576 /nfs/dbraw/zinc/94/65/76/571946576.db2.gz UTALKBGJYXKZKI-UHFFFAOYSA-N 0 0 198.649 2.535 10 30 AFEERN CC1=CC(=O)C[C@@H]2CCCC[C@H]12 196412861 571946594 /nfs/dbraw/zinc/94/65/94/571946594.db2.gz NKOGNDOACUXLEK-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN CON=C[C@H]1CC(C)=C[C@@H](C)C1 379328825 571946611 /nfs/dbraw/zinc/94/66/11/571946611.db2.gz RJVJELPUAWZWKJ-PSASIEDQSA-N 0 0 167.252 2.611 10 30 AFEERN C[C@H](CC#N)Nc1cccc(F)c1F 40230645 571946688 /nfs/dbraw/zinc/94/66/88/571946688.db2.gz GMWCDSUOUQZWOC-SSDOTTSWSA-N 0 0 196.200 2.679 10 30 AFEERN CCO[C@H](C(=O)C=C(C)C)C(C)C 132032547 571947153 /nfs/dbraw/zinc/94/71/53/571947153.db2.gz BXJZESHOCCEFBM-NSHDSACASA-N 0 0 184.279 2.583 10 30 AFEERN C[C@@H]1CC2(CCC2)CN1C(C)(C)C#N 334709951 571947155 /nfs/dbraw/zinc/94/71/55/571947155.db2.gz FBVLUCILWHUGHK-SNVBAGLBSA-N 0 0 192.306 2.553 10 30 AFEERN CON=C1CC[C@](C)(C(C)C)C1 379336472 571947316 /nfs/dbraw/zinc/94/73/16/571947316.db2.gz QNFXXKILTXYDQZ-JTQLQIEISA-N 0 0 169.268 2.835 10 30 AFEERN CC1=C(C#C[C@H](C)O)C(C)(C)CCC1 220820224 571947327 /nfs/dbraw/zinc/94/73/27/571947327.db2.gz RLTJREINLZYBPP-NSHDSACASA-N 0 0 192.302 2.897 10 30 AFEERN C=CC[C@H](O)[C@H]1CCCC(F)(F)C1 300862979 571947549 /nfs/dbraw/zinc/94/75/49/571947549.db2.gz IZRDDFQNXWSNTB-IUCAKERBSA-N 0 0 190.233 2.749 10 30 AFEERN CON=C[C@@H]1CC(C)=C[C@H](C)C1 379328828 571947604 /nfs/dbraw/zinc/94/76/04/571947604.db2.gz RJVJELPUAWZWKJ-WPRPVWTQSA-N 0 0 167.252 2.611 10 30 AFEERN C=CCCCCC[C@@H](O)[C@@H](C)OC 234776456 571947631 /nfs/dbraw/zinc/94/76/31/571947631.db2.gz DJNPXAXLQNKYFD-GHMZBOCLSA-N 0 0 186.295 2.519 10 30 AFEERN CC(C)C1CCN(C(C)(C)C#N)CC1 335013269 571947813 /nfs/dbraw/zinc/94/78/13/571947813.db2.gz YQTKSZQRGSHPBH-UHFFFAOYSA-N 0 0 194.322 2.657 10 30 AFEERN CC(=NN(C)C)C1CCCCC1 379329589 571948291 /nfs/dbraw/zinc/94/82/91/571948291.db2.gz VJVNFUFFMLFFEF-UHFFFAOYSA-N 0 0 168.284 2.504 10 30 AFEERN C=CCC(=O)[C@H]1CCCC(F)(F)C1 300834467 571948368 /nfs/dbraw/zinc/94/83/68/571948368.db2.gz FSXKKKURXLIMHZ-QMMMGPOBSA-N 0 0 188.217 2.957 10 30 AFEERN CON=C[C@H]1CC(C)=C[C@H](C)C1 379328827 571948549 /nfs/dbraw/zinc/94/85/49/571948549.db2.gz RJVJELPUAWZWKJ-WCBMZHEXSA-N 0 0 167.252 2.611 10 30 AFEERN C=C(C)[C@H]1CC=C(CC=O)CC1 140503489 571948623 /nfs/dbraw/zinc/94/86/23/571948623.db2.gz OBCUMUAYBORUQA-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CON=C1CC[C@@](C)(C(C)C)C1 379336473 571948653 /nfs/dbraw/zinc/94/86/53/571948653.db2.gz QNFXXKILTXYDQZ-SNVBAGLBSA-N 0 0 169.268 2.835 10 30 AFEERN CON=C[C@@H]1CC(C)=C[C@@H](C)C1 379328826 571948694 /nfs/dbraw/zinc/94/86/94/571948694.db2.gz RJVJELPUAWZWKJ-SCZZXKLOSA-N 0 0 167.252 2.611 10 30 AFEERN C=C(C)C[C@H](O)[C@@H]1CCC(F)(F)C1 300869977 571948956 /nfs/dbraw/zinc/94/89/56/571948956.db2.gz JVGGCKYMECRINQ-BDAKNGLRSA-N 0 0 190.233 2.749 10 30 AFEERN C#Cc1ccc(C)c(CC)c1 300830389 571949216 /nfs/dbraw/zinc/94/92/16/571949216.db2.gz CHKSFAFEPXISBG-UHFFFAOYSA-N 0 0 144.217 2.539 10 30 AFEERN C/C=C1\C[C@H]2CCCC[C@H]2C1=O 687751438 571949615 /nfs/dbraw/zinc/94/96/15/571949615.db2.gz BCEYYASFDGJTLE-DLCFDYCTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H]1CCCC=C1C(=O)C1CC1 139513931 571949736 /nfs/dbraw/zinc/94/97/36/571949736.db2.gz DRNHTXPVGLFPLY-SECBINFHSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccccc1C(=O)C(C)(C)C#N 34414313 571950105 /nfs/dbraw/zinc/95/01/05/571950105.db2.gz HVOGGANUHNTGRR-UHFFFAOYSA-N 0 0 187.242 2.728 10 30 AFEERN CCO[C@@H](C(=O)C=C(C)C)C(C)C 132032744 571950138 /nfs/dbraw/zinc/95/01/38/571950138.db2.gz BXJZESHOCCEFBM-LLVKDONJSA-N 0 0 184.279 2.583 10 30 AFEERN CC(=O)/C=C\[C@@H]1C[C@@H]2C=C[C@H]1CC2 687751637 571950317 /nfs/dbraw/zinc/95/03/17/571950317.db2.gz INUPSZDOPIRNCO-SKAVNHFNSA-N 0 0 176.259 2.734 10 30 AFEERN C#C[C@@H](C)Nc1ccc(C)c(CC)c1 300853691 571950500 /nfs/dbraw/zinc/95/05/00/571950500.db2.gz HTAPIYYHVGMJSA-LLVKDONJSA-N 0 0 187.286 2.991 10 30 AFEERN C/C=C\C(=O)C[C@@H]1[C@H]2C=C[C@@H]1CC2 687751804 571950555 /nfs/dbraw/zinc/95/05/55/571950555.db2.gz MYKKCIIZORFESF-MSWABDFWSA-N 0 0 176.259 2.734 10 30 AFEERN C=CC(C)C=C(C)C(=O)C=CC 687751742 571951235 /nfs/dbraw/zinc/95/12/35/571951235.db2.gz CAPJAFJRHKYPQH-AEZXKSMESA-N 0 0 164.248 2.900 10 30 AFEERN C=C[C@H](O)/C(C)=C\c1ccccc1 220821995 571951445 /nfs/dbraw/zinc/95/14/45/571951445.db2.gz KKNMZGWALJJUIX-PRDAAYKISA-N 0 0 174.243 2.637 10 30 AFEERN C=C[C@@H](O)/C(C)=C\c1ccccc1 220821881 571951638 /nfs/dbraw/zinc/95/16/38/571951638.db2.gz KKNMZGWALJJUIX-ZWLSGLHFSA-N 0 0 174.243 2.637 10 30 AFEERN CC(C)[C@H]1[C@H](C=O)[C@H]1c1ccccc1 140579423 571951643 /nfs/dbraw/zinc/95/16/43/571951643.db2.gz USPWYNBABQNAFC-RWMBFGLXSA-N 0 0 188.270 2.871 10 30 AFEERN O=CC/C=C/[C@H]1C[C@@H]2CC[C@H]1C2 687751656 571951778 /nfs/dbraw/zinc/95/17/78/571951778.db2.gz JGRYISZAGIFKEN-DATPYOLBSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@H]1CCCC=C1C(=O)C1CC1 139514035 571951888 /nfs/dbraw/zinc/95/18/88/571951888.db2.gz DRNHTXPVGLFPLY-VIFPVBQESA-N 0 0 176.259 2.878 10 30 AFEERN C=CC(C)C=C(C)C(=O)C=CC 687751743 571952067 /nfs/dbraw/zinc/95/20/67/571952067.db2.gz CAPJAFJRHKYPQH-ITHDXHAXSA-N 0 0 164.248 2.900 10 30 AFEERN C=CCC1=CCc2c(O)cccc21 139511579 571952759 /nfs/dbraw/zinc/95/27/59/571952759.db2.gz JNSNRXLAELZXPA-UHFFFAOYSA-N 0 0 172.227 2.908 10 30 AFEERN C=CC(=O)CCCCC1CCOCC1 300811486 571952337 /nfs/dbraw/zinc/95/23/37/571952337.db2.gz XKGCETYABUSZBJ-UHFFFAOYSA-N 0 0 196.290 2.729 10 30 AFEERN C=CCC[C@@H]1C[C@H]2C=C[C@@H]1C(=O)C2 139513813 571952459 /nfs/dbraw/zinc/95/24/59/571952459.db2.gz IERUPGJEKJZRIL-MXWKQRLJSA-N 0 0 176.259 2.734 10 30 AFEERN CC(=O)C#CC(=C(C)C)C(C)C 139520307 571952471 /nfs/dbraw/zinc/95/24/71/571952471.db2.gz KFHXQOMNSJKGAF-UHFFFAOYSA-N 0 0 164.248 2.571 10 30 AFEERN C=C[C@@H](C(C)C)n1cccc1 39079958 571952505 /nfs/dbraw/zinc/95/25/05/571952505.db2.gz OGQRIBMGJYCYCR-JTQLQIEISA-N 0 0 149.237 2.871 10 30 AFEERN C=CC[C@@H]1CCCC/C1=N/O 139550981 571952543 /nfs/dbraw/zinc/95/25/43/571952543.db2.gz PUHSIAHHRSCCQR-SREPSJJZSA-N 0 0 153.225 2.583 10 30 AFEERN c1ccc2c([C@@H]3CO3)coc2c1 34408156 571952685 /nfs/dbraw/zinc/95/26/85/571952685.db2.gz FFGPJPDOBWTBFB-JTQLQIEISA-N 0 0 160.172 2.504 10 30 AFEERN Cc1cc(C)c(OCCC#N)c(C)c1 40417998 571953083 /nfs/dbraw/zinc/95/30/83/571953083.db2.gz OZWNNCWVGCGUTO-UHFFFAOYSA-N 0 0 189.258 2.904 10 30 AFEERN CCCCCCOCCOCCC#N 217081746 571953109 /nfs/dbraw/zinc/95/31/09/571953109.db2.gz DEGLIYAKYFHIMG-UHFFFAOYSA-N 0 0 199.294 2.514 10 30 AFEERN C=C(CO)CCCCCC 140587121 571953682 /nfs/dbraw/zinc/95/36/82/571953682.db2.gz DCKHHQYKQUYUQQ-UHFFFAOYSA-N 0 0 142.242 2.505 10 30 AFEERN CCCC#C/C=C/Cl 139671872 571954019 /nfs/dbraw/zinc/95/40/19/571954019.db2.gz DOSDXBFIZDWXJA-VOTSOKGWSA-N 0 0 128.602 2.542 10 30 AFEERN C[C@@H]1[C@@H](O)CC[C@H]1CC#CC(C)(C)C 300801283 571954175 /nfs/dbraw/zinc/95/41/75/571954175.db2.gz VMGIWLMLZNOENH-TUAOUCFPSA-N 0 0 194.318 2.833 10 30 AFEERN C=CC(=O)/C=C(/C)c1ccccc1 139697744 571954190 /nfs/dbraw/zinc/95/41/90/571954190.db2.gz SHFGZMUIAYLFCX-KTKRTIGZSA-N 0 0 172.227 2.845 10 30 AFEERN C/C=C(\CC)C(=O)[C@@H](C)CC 233979359 571955007 /nfs/dbraw/zinc/95/50/07/571955007.db2.gz PPBMEHVOAGRMPB-CYXIBPNKSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1cc(C)cc(/C(Cl)=N/O)c1 140624800 571955057 /nfs/dbraw/zinc/95/50/57/571955057.db2.gz IWLWIBHLVHBLAV-LUAWRHEFSA-N 0 0 183.638 2.678 10 30 AFEERN CCC#C[C@@H](C)CCC 140643278 571955170 /nfs/dbraw/zinc/95/51/70/571955170.db2.gz KZPFAERNQBTVSG-VIFPVBQESA-N 0 0 124.227 2.836 10 30 AFEERN CCC#C[C@H](C)CCC 140643103 571955180 /nfs/dbraw/zinc/95/51/80/571955180.db2.gz KZPFAERNQBTVSG-SECBINFHSA-N 0 0 124.227 2.836 10 30 AFEERN C=CC[C@@H]1C(=O)CCC[C@@H]1CC 139618888 571955221 /nfs/dbraw/zinc/95/52/21/571955221.db2.gz LJGAZTTUSGPSNS-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C)C#CC[C@H]1CCCC[C@H]1O 300826879 571955346 /nfs/dbraw/zinc/95/53/46/571955346.db2.gz GWHLVTUMPQITBE-VXGBXAGGSA-N 0 0 194.318 2.977 10 30 AFEERN C=CC[C@H](O)C[C@H](C)CC(C)C 300893551 571955638 /nfs/dbraw/zinc/95/56/38/571955638.db2.gz KDPGZNXJOTWUCL-MNOVXSKESA-N 0 0 170.296 2.996 10 30 AFEERN CCCCCCN1CCC[C@H]1C#N 79808301 571955734 /nfs/dbraw/zinc/95/57/34/571955734.db2.gz PLKHEDBGQHNZSI-NSHDSACASA-N 0 0 180.295 2.555 10 30 AFEERN Cc1cccc(O[C@H](C)C#N)c1C 11834484 571956141 /nfs/dbraw/zinc/95/61/41/571956141.db2.gz RORGJZNAAUCLSD-SECBINFHSA-N 0 0 175.231 2.594 10 30 AFEERN CSc1cccc([C@@H](C)C#N)c1O 687758075 571956339 /nfs/dbraw/zinc/95/63/39/571956339.db2.gz QCZAFNUOQREMCT-ZETCQYMHSA-N 0 0 193.271 2.741 10 30 AFEERN CCCCCCN1CCCC[C@@H]1C#N 79811485 571956341 /nfs/dbraw/zinc/95/63/41/571956341.db2.gz UXLQDDUNXLKBPO-GFCCVEGCSA-N 0 0 194.322 2.945 10 30 AFEERN CCCCCCN1CCCC[C@H]1C#N 79811487 571956351 /nfs/dbraw/zinc/95/63/51/571956351.db2.gz UXLQDDUNXLKBPO-LBPRGKRZSA-N 0 0 194.322 2.945 10 30 AFEERN CCCCCCN1CCC[C@@H]1C#N 79808298 571956924 /nfs/dbraw/zinc/95/69/24/571956924.db2.gz PLKHEDBGQHNZSI-LLVKDONJSA-N 0 0 180.295 2.555 10 30 AFEERN CC(C)C[C@@H](C#N)c1ccccn1 38634524 571957008 /nfs/dbraw/zinc/95/70/08/571957008.db2.gz GPMCJRHRMGDKEE-JTQLQIEISA-N 0 0 174.247 2.735 10 30 in-vitro AFEERN CCC[C@@H](C#N)C(=O)CC1(C)CC1 401569078 571957883 /nfs/dbraw/zinc/95/78/83/571957883.db2.gz RFUNQHRQUXRVOL-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN CSc1cccc([C@H](C)C#N)c1O 687758074 571957267 /nfs/dbraw/zinc/95/72/67/571957267.db2.gz QCZAFNUOQREMCT-SSDOTTSWSA-N 0 0 193.271 2.741 10 30 AFEERN Cc1cc2c(F)c(N=[N+]=[N-])cnc2[nH]1 31777216 571959770 /nfs/dbraw/zinc/95/97/70/571959770.db2.gz JGCUIDFKIYJWCK-UHFFFAOYSA-N 0 0 191.169 2.952 10 30 AFEERN Cc1cccc(O[C@@H](C)C#N)c1C 11834487 571957847 /nfs/dbraw/zinc/95/78/47/571957847.db2.gz RORGJZNAAUCLSD-VIFPVBQESA-N 0 0 175.231 2.594 10 30 AFEERN C=CCC/C=C1\CCCC1=O 217371115 571958020 /nfs/dbraw/zinc/95/80/20/571958020.db2.gz JXSCZJZOTXYDDC-RMKNXTFCSA-N 0 0 150.221 2.632 10 30 AFEERN C=C(CC)CC(=O)[C@@H](OCC)C(C)C 132046060 571958438 /nfs/dbraw/zinc/95/84/38/571958438.db2.gz UMMHANPZUWFNFV-LBPRGKRZSA-N 0 0 198.306 2.973 10 30 AFEERN CCc1cccc(O[C@H](C)C#N)c1 11834627 571958615 /nfs/dbraw/zinc/95/86/15/571958615.db2.gz GEDWRBGWVBBGBL-SECBINFHSA-N 0 0 175.231 2.540 10 30 AFEERN C#C[C@@H](C(C)C)n1c(C)ccc1C 300848729 571958780 /nfs/dbraw/zinc/95/87/80/571958780.db2.gz DZYKPAQQBFRKGE-LBPRGKRZSA-N 0 0 175.275 2.935 10 30 AFEERN C=C(C)c1cccc([C@@H](C)CO)c1 78509724 571960496 /nfs/dbraw/zinc/96/04/96/571960496.db2.gz NZTNUZHWPDDWRV-JTQLQIEISA-N 0 0 176.259 2.816 10 30 AFEERN CCN(C)N=C1CCCC(C)(C)C1 308504522 571959104 /nfs/dbraw/zinc/95/91/04/571959104.db2.gz YNUCXYRLDCBDIF-UHFFFAOYSA-N 0 0 182.311 2.894 10 30 AFEERN C=C(CC)CC(=O)[C@H](OCC)C(C)C 132045873 571959119 /nfs/dbraw/zinc/95/91/19/571959119.db2.gz UMMHANPZUWFNFV-GFCCVEGCSA-N 0 0 198.306 2.973 10 30 AFEERN CCc1cccc(O[C@@H](C)C#N)c1 11834625 571959083 /nfs/dbraw/zinc/95/90/83/571959083.db2.gz GEDWRBGWVBBGBL-VIFPVBQESA-N 0 0 175.231 2.540 10 30 AFEERN C=CCCCC(=O)[C@@H](OCC)C(C)C 132051846 571959160 /nfs/dbraw/zinc/95/91/60/571959160.db2.gz ZAEYKZCEODXIGG-LBPRGKRZSA-N 0 0 198.306 2.973 10 30 AFEERN CC(C)(C)CCC(=O)C1=CCCO1 300817974 571959287 /nfs/dbraw/zinc/95/92/87/571959287.db2.gz GTDJWSDXTGWUID-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCCCCCC(=O)[C@@H](C)OC 234790351 571959680 /nfs/dbraw/zinc/95/96/80/571959680.db2.gz CRCMFOGIAQCIGR-SNVBAGLBSA-N 0 0 184.279 2.727 10 30 AFEERN Cc1ccc2c(CCS)noc2c1 31888710 571959916 /nfs/dbraw/zinc/95/99/16/571959916.db2.gz GWJLKQAFDYVHLK-UHFFFAOYSA-N 0 0 193.271 2.609 10 30 AFEERN C=C(C1=CCC(=O)CC1)C(F)(F)F 687688917 571960094 /nfs/dbraw/zinc/96/00/94/571960094.db2.gz VWNFZVSYDCRRHY-UHFFFAOYSA-N 0 0 190.164 2.784 10 30 AFEERN C=C(C)c1cccc([C@H](C)CO)c1 78509730 571960745 /nfs/dbraw/zinc/96/07/45/571960745.db2.gz NZTNUZHWPDDWRV-SNVBAGLBSA-N 0 0 176.259 2.816 10 30 AFEERN C=C(C[Si](C)(C)C)[C@H](C)CCO 214592259 571961140 /nfs/dbraw/zinc/96/11/40/571961140.db2.gz HWXFCRZHOCNMDS-SECBINFHSA-N 0 0 186.371 2.899 10 30 AFEERN CC[C@H](C=O)c1ccc(F)c(C)c1 32007412 571961738 /nfs/dbraw/zinc/96/17/38/571961738.db2.gz YFOPODLJQJYYCL-SECBINFHSA-N 0 0 180.222 2.827 10 30 AFEERN CCc1ccccc1NC[C@H](C)C#N 32008155 571961935 /nfs/dbraw/zinc/96/19/35/571961935.db2.gz VMFKALZCLRSFHG-SNVBAGLBSA-N 0 0 188.274 2.821 10 30 AFEERN CCc1ccc(NC[C@@H](C)C#N)cc1 32008156 571962220 /nfs/dbraw/zinc/96/22/20/571962220.db2.gz ZMWGAEWHEHZINF-JTQLQIEISA-N 0 0 188.274 2.821 10 30 AFEERN C=CCCOCc1ccc(OC)cc1 139367147 571962274 /nfs/dbraw/zinc/96/22/74/571962274.db2.gz VGARYMKJVDCIJY-UHFFFAOYSA-N 0 0 192.258 2.788 10 30 AFEERN C=C(C)CC(=O)[C@@H](C#N)C(C)(C)C 238076343 571962391 /nfs/dbraw/zinc/96/23/91/571962391.db2.gz MMQNFNPBNVLVGO-SECBINFHSA-N 0 0 179.263 2.708 10 30 AFEERN C/C=C\[C@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C=O 687761623 571962432 /nfs/dbraw/zinc/96/24/32/571962432.db2.gz KRODXGPGTHLLRU-BVGLFQIRSA-N 0 0 190.286 2.980 10 30 AFEERN CCc1cccc(C)c1NCCC#N 32008103 571962671 /nfs/dbraw/zinc/96/26/71/571962671.db2.gz AWKVGKUHMGZXBI-UHFFFAOYSA-N 0 0 188.274 2.883 10 30 AFEERN C[C@H](C=O)c1ccc2c(c1)CCCC2 32008057 571962778 /nfs/dbraw/zinc/96/27/78/571962778.db2.gz ZQAVZFKZEMVZNC-SNVBAGLBSA-N 0 0 188.270 2.868 10 30 AFEERN C/C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C=O 687761622 571962795 /nfs/dbraw/zinc/96/27/95/571962795.db2.gz KRODXGPGTHLLRU-BOWXHBRMSA-N 0 0 190.286 2.980 10 30 AFEERN Cc1ccc(C)c(NC[C@@H](C)C#N)c1 32008139 571962946 /nfs/dbraw/zinc/96/29/46/571962946.db2.gz UEMRHWQIPOXLIV-JTQLQIEISA-N 0 0 188.274 2.875 10 30 AFEERN CC[C@@H](C=O)c1ccc(F)c(C)c1 32007410 571962955 /nfs/dbraw/zinc/96/29/55/571962955.db2.gz YFOPODLJQJYYCL-VIFPVBQESA-N 0 0 180.222 2.827 10 30 AFEERN Cc1cc(C)c(NCCC#N)c(C)c1 32008106 571962964 /nfs/dbraw/zinc/96/29/64/571962964.db2.gz RELLPMMKFPUDST-UHFFFAOYSA-N 0 0 188.274 2.937 10 30 AFEERN C/C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@H]1C=O 687761624 571963021 /nfs/dbraw/zinc/96/30/21/571963021.db2.gz KRODXGPGTHLLRU-UXCZGLIUSA-N 0 0 190.286 2.980 10 30 AFEERN CC[C@H](C=O)c1ccc(C)c(C)c1 32006904 571963475 /nfs/dbraw/zinc/96/34/75/571963475.db2.gz JPISNVRYRWLJNX-LLVKDONJSA-N 0 0 176.259 2.996 10 30 AFEERN C=C(C)CC(=O)[C@@H](OCC)C(C)C 132057858 571963508 /nfs/dbraw/zinc/96/35/08/571963508.db2.gz UNOXPYSHEOJEPF-NSHDSACASA-N 0 0 184.279 2.583 10 30 AFEERN CCc1ccc(NC[C@H](C)C#N)cc1 32008158 571963522 /nfs/dbraw/zinc/96/35/22/571963522.db2.gz ZMWGAEWHEHZINF-SNVBAGLBSA-N 0 0 188.274 2.821 10 30 AFEERN C=C(C)CC(=O)[C@H](OCC)C(C)C 132058071 571963899 /nfs/dbraw/zinc/96/38/99/571963899.db2.gz UNOXPYSHEOJEPF-LLVKDONJSA-N 0 0 184.279 2.583 10 30 AFEERN C=CCC[C@@H](O)C(CC)CC 80576762 571964237 /nfs/dbraw/zinc/96/42/37/571964237.db2.gz DTTJXYWRVZDUBA-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN CC#CC[C@@H](O)CCCCCC 39259307 571964721 /nfs/dbraw/zinc/96/47/21/571964721.db2.gz OHETVPCLISTSPA-LLVKDONJSA-N 0 0 168.280 2.731 10 30 AFEERN C=CCC[C@H](O)C(CC)CC 80576776 571964906 /nfs/dbraw/zinc/96/49/06/571964906.db2.gz DTTJXYWRVZDUBA-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN CCCCCCCC[C@@H](C)NC=O 113464503 571965044 /nfs/dbraw/zinc/96/50/44/571965044.db2.gz HAICPRWAXRCXSR-LLVKDONJSA-N 0 0 185.311 2.872 10 30 AFEERN CC[C@H](C=O)CCc1ccc(C)o1 165761278 571965138 /nfs/dbraw/zinc/96/51/38/571965138.db2.gz KSJVJTDNBJPEIA-JTQLQIEISA-N 0 0 180.247 2.746 10 30 AFEERN CCC[C@@H](C)n1cccc1C#N 233286583 571965418 /nfs/dbraw/zinc/96/54/18/571965418.db2.gz LVUFWDMUMPXACK-SECBINFHSA-N 0 0 162.236 2.721 10 30 AFEERN C=CCCCCCC(=O)[C@H]1CCOC1 232565337 571965823 /nfs/dbraw/zinc/96/58/23/571965823.db2.gz STKXFHVMEIFXEW-NSHDSACASA-N 0 0 196.290 2.729 10 30 AFEERN CC#CC[C@H](O)CCCCCC 39259308 571965466 /nfs/dbraw/zinc/96/54/66/571965466.db2.gz OHETVPCLISTSPA-NSHDSACASA-N 0 0 168.280 2.731 10 30 AFEERN CC1=C[C@@H](C(C)C)CCC1=O 32135355 571965651 /nfs/dbraw/zinc/96/56/51/571965651.db2.gz BPIZZOZTEBWEPT-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C[C@]12CCCCCC1=CC(=O)C2 32143691 571966194 /nfs/dbraw/zinc/96/61/94/571966194.db2.gz VKLUQIHDWABKNX-LLVKDONJSA-N 0 0 164.248 2.856 10 30 AFEERN CCCCCCCOC[C@]1(C)CO1 80724498 571966195 /nfs/dbraw/zinc/96/61/95/571966195.db2.gz IMOHIGPGZFPFNG-LLVKDONJSA-N 0 0 186.295 2.762 10 30 AFEERN Cc1ccc(C(=O)[C@@H](C#N)C(C)C)o1 41045711 571966334 /nfs/dbraw/zinc/96/63/34/571966334.db2.gz DRKKBNGLOUPNKG-VIFPVBQESA-N 0 0 191.230 2.567 10 30 AFEERN CC[C@]1(C)CCC(=O)C=C1C 32150362 571966351 /nfs/dbraw/zinc/96/63/51/571966351.db2.gz LVBPXRKIGDMCEV-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)[C@H](C#N)Nc1ccc(F)cc1 41049459 571966358 /nfs/dbraw/zinc/96/63/58/571966358.db2.gz IVWFWEXWPPTQQH-NSHDSACASA-N 0 0 192.237 2.786 10 30 AFEERN CC1=CC(=O)C=C[C@@]1(C)C(C)C 32146570 571966692 /nfs/dbraw/zinc/96/66/92/571966692.db2.gz JGIJYQIFJVTMPV-NSHDSACASA-N 0 0 164.248 2.734 10 30 AFEERN Cc1ccoc1C(=O)[C@@H](C#N)C(C)C 41045611 571966773 /nfs/dbraw/zinc/96/67/73/571966773.db2.gz BAULIUDLYDWGJM-VIFPVBQESA-N 0 0 191.230 2.567 10 30 AFEERN C[C@@]12CCCCCC1=CC(=O)C2 32143687 571967013 /nfs/dbraw/zinc/96/70/13/571967013.db2.gz VKLUQIHDWABKNX-NSHDSACASA-N 0 0 164.248 2.856 10 30 AFEERN CCC[C@@H](O)CCC#CC(C)(C)C 300825616 571968327 /nfs/dbraw/zinc/96/83/27/571968327.db2.gz GQDXYUJMKVXQMS-LLVKDONJSA-N 0 0 182.307 2.977 10 30 AFEERN CC1=C[C@@H](CC=O)[C@H]2C[C@@H]1C2(C)C 32141661 571967063 /nfs/dbraw/zinc/96/70/63/571967063.db2.gz CGEZMCSMKNNUHI-OUAUKWLOSA-N 0 0 178.275 2.814 10 30 AFEERN C[C@H](CCS)CCOC1CC1 713166591 571967112 /nfs/dbraw/zinc/96/71/12/571967112.db2.gz BWBRABXVTMKBJN-QMMMGPOBSA-N 0 0 174.309 2.512 10 30 AFEERN Cc1ccoc1C(=O)[C@H](C#N)C(C)C 41045612 571967121 /nfs/dbraw/zinc/96/71/21/571967121.db2.gz BAULIUDLYDWGJM-SECBINFHSA-N 0 0 191.230 2.567 10 30 AFEERN C[C@@H](CCS)CCOC1CC1 713166588 571967201 /nfs/dbraw/zinc/96/72/01/571967201.db2.gz BWBRABXVTMKBJN-MRVPVSSYSA-N 0 0 174.309 2.512 10 30 AFEERN CC(C)[C@@H](C#N)C(=O)C1CCCC1 41045725 571967215 /nfs/dbraw/zinc/96/72/15/571967215.db2.gz WBTNPYWYIZXLSD-SNVBAGLBSA-N 0 0 179.263 2.541 10 30 AFEERN C=CCCC(=O)OCCCCC 80731225 571967514 /nfs/dbraw/zinc/96/75/14/571967514.db2.gz CIZMYXNXGYVKQG-UHFFFAOYSA-N 0 0 170.252 2.686 10 30 AFEERN CC1=CC(=O)C=C[C@]1(C)C(C)C 32146566 571967597 /nfs/dbraw/zinc/96/75/97/571967597.db2.gz JGIJYQIFJVTMPV-LLVKDONJSA-N 0 0 164.248 2.734 10 30 AFEERN CCC[C@H](C)n1cccc1C#N 233343594 571967555 /nfs/dbraw/zinc/96/75/55/571967555.db2.gz LVUFWDMUMPXACK-VIFPVBQESA-N 0 0 162.236 2.721 10 30 AFEERN C=C(CCC=C(C)C)C(C)=O 32153356 571967670 /nfs/dbraw/zinc/96/76/70/571967670.db2.gz SONVLKMIYCZSIS-UHFFFAOYSA-N 0 0 152.237 2.878 10 30 AFEERN CC[C@@]1(C)CCC(=O)C=C1C 32150358 571967968 /nfs/dbraw/zinc/96/79/68/571967968.db2.gz LVBPXRKIGDMCEV-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cccc(N[C@H](C#N)C2CC2)c1 41047352 571967971 /nfs/dbraw/zinc/96/79/71/571967971.db2.gz KKVLMDINCKUPDB-GFCCVEGCSA-N 0 0 186.258 2.709 10 30 AFEERN C[C@H]1CCC[C@@]2(C)C=CC(=O)C=C12 32165013 571968341 /nfs/dbraw/zinc/96/83/41/571968341.db2.gz SPNLYFPIWOEXSG-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)[C@@H](O)CC/C(C)=C/C 196428069 571968588 /nfs/dbraw/zinc/96/85/88/571968588.db2.gz OSLMIIJINZJSGR-CYNRKNSPSA-N 0 0 154.253 2.670 10 30 AFEERN O=C[C@@H]1CC=CC[C@@H]1c1ccccc1 32167962 571968684 /nfs/dbraw/zinc/96/86/84/571968684.db2.gz WITLEFZOBQHSSB-QWHCGFSZSA-N 0 0 186.254 2.935 10 30 AFEERN CC(C)[C@H]1CC[C@]2(C)O[C@@H]2C1 32161694 571968762 /nfs/dbraw/zinc/96/87/62/571968762.db2.gz WSHVHJSDSVPPIV-AEJSXWLSSA-N 0 0 154.253 2.600 10 30 AFEERN CCCCCCCOC[C@@]1(C)CO1 80724499 571968894 /nfs/dbraw/zinc/96/88/94/571968894.db2.gz IMOHIGPGZFPFNG-NSHDSACASA-N 0 0 186.295 2.762 10 30 AFEERN CCC[C@H](O)CCC#CC(C)(C)C 300825617 571968939 /nfs/dbraw/zinc/96/89/39/571968939.db2.gz GQDXYUJMKVXQMS-NSHDSACASA-N 0 0 182.307 2.977 10 30 AFEERN C/C=C\[C@H]1CC(=O)C=CC1(C)C 217589352 571968994 /nfs/dbraw/zinc/96/89/94/571968994.db2.gz WAJWRQIPSOQKJA-WBSSQXGSSA-N 0 0 164.248 2.734 10 30 AFEERN Cc1cc(C)c(C[C@]2(C)CO2)c(C)c1 219318049 571969035 /nfs/dbraw/zinc/96/90/35/571969035.db2.gz XHJUSKDHTXSBFF-CYBMUJFWSA-N 0 0 190.286 2.943 10 30 AFEERN O=C[C@H]1CC=CC[C@@H]1c1ccccc1 32167964 571969118 /nfs/dbraw/zinc/96/91/18/571969118.db2.gz WITLEFZOBQHSSB-CHWSQXEVSA-N 0 0 186.254 2.935 10 30 AFEERN CC(C)(C)CCC[C@@](C)(O)CC=O 300825657 571969130 /nfs/dbraw/zinc/96/91/30/571969130.db2.gz HPVTYOIDKCLBQY-LLVKDONJSA-N 0 0 186.295 2.543 10 30 AFEERN CC(C)[C@H](C#N)C(=O)C1CCCC1 41045726 571969286 /nfs/dbraw/zinc/96/92/86/571969286.db2.gz WBTNPYWYIZXLSD-JTQLQIEISA-N 0 0 179.263 2.541 10 30 AFEERN Cc1ccc(C(=O)[C@H](C#N)C(C)C)o1 41045712 571969345 /nfs/dbraw/zinc/96/93/45/571969345.db2.gz DRKKBNGLOUPNKG-SECBINFHSA-N 0 0 191.230 2.567 10 30 AFEERN C[C@H]1CCC[C@]2(C)C=CC(=O)C=C12 32165016 571969367 /nfs/dbraw/zinc/96/93/67/571969367.db2.gz SPNLYFPIWOEXSG-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN CCc1ccc(CC[C@@]2(C)CO2)cc1 219318145 571969450 /nfs/dbraw/zinc/96/94/50/571969450.db2.gz QDIBWWWTHLURRI-ZDUSSCGKSA-N 0 0 190.286 2.971 10 30 AFEERN CC(C)(C)CCC[C@](C)(O)CC=O 300825660 571969664 /nfs/dbraw/zinc/96/96/64/571969664.db2.gz HPVTYOIDKCLBQY-NSHDSACASA-N 0 0 186.295 2.543 10 30 AFEERN C=C[C@](C)(O)CC/C=C(\C)CCC=O 59725457 571969725 /nfs/dbraw/zinc/96/97/25/571969725.db2.gz YHHPBYNAHAIMNQ-VNKGSWCUSA-N 0 0 196.290 2.629 10 30 AFEERN C/C=C/C(=O)C[C@@H](C)CC 233982354 571969925 /nfs/dbraw/zinc/96/99/25/571969925.db2.gz MYQJFLVLZUMLHA-JQTRYQTASA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@@](C)(O)CC/C=C(\C)CCC=O 59725452 571970083 /nfs/dbraw/zinc/97/00/83/571970083.db2.gz YHHPBYNAHAIMNQ-YTRUQHMWSA-N 0 0 196.290 2.629 10 30 AFEERN O=C[C@@H]1CC=CC[C@H]1c1ccccc1 32167966 571970184 /nfs/dbraw/zinc/97/01/84/571970184.db2.gz WITLEFZOBQHSSB-STQMWFEESA-N 0 0 186.254 2.935 10 30 AFEERN C=C(C)[C@H]1C[Si](C)(C)CC[C@H]1O 196435259 571971442 /nfs/dbraw/zinc/97/14/42/571971442.db2.gz QREPYZGYCFKHMM-NXEZZACHSA-N 0 0 184.355 2.652 10 30 AFEERN CC1=C(c2ccccc2)CCC1=O 13108137 571971805 /nfs/dbraw/zinc/97/18/05/571971805.db2.gz QAAOUBXSNBEWFP-UHFFFAOYSA-N 0 0 172.227 2.823 10 30 AFEERN C[C@H]1CC(c2ccccc2)=CC1=O 32210994 571972469 /nfs/dbraw/zinc/97/24/69/571972469.db2.gz HYTOBZXFHCZOEC-VIFPVBQESA-N 0 0 172.227 2.679 10 30 AFEERN O=CCCC=C1CCCCC1 32214009 571972537 /nfs/dbraw/zinc/97/25/37/571972537.db2.gz WSFRJRDQVLYQNO-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN C=C[C@H](CCCC)OC(=O)OCC 196435109 571972547 /nfs/dbraw/zinc/97/25/47/571972547.db2.gz RHHQFOKUCIZOEX-SECBINFHSA-N 0 0 186.251 2.904 10 30 AFEERN CCCn1ccc2c(C#N)cccc21 233386730 571972848 /nfs/dbraw/zinc/97/28/48/571972848.db2.gz SPGHVQJPUGHKAW-UHFFFAOYSA-N 0 0 184.242 2.923 10 30 AFEERN C[C@@H](C=O)C=C1CCCCC1 32225658 571973174 /nfs/dbraw/zinc/97/31/74/571973174.db2.gz VIZHRHMYTSEZLJ-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)=C1C(=O)C(C)(C)C1(C)C 32227659 571973442 /nfs/dbraw/zinc/97/34/42/571973442.db2.gz RCVKTPCLHTZCTC-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C#N 81059429 571973797 /nfs/dbraw/zinc/97/37/97/571973797.db2.gz QNZYTAAEWZFRBB-UTUOFQBUSA-N 0 0 194.322 2.560 10 30 AFEERN C[C@H](C=O)C=C1CCCCC1 32225659 571973759 /nfs/dbraw/zinc/97/37/59/571973759.db2.gz VIZHRHMYTSEZLJ-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C=C1CCCC[C@H]1[C@H](O)/C=C/C 139732749 571973862 /nfs/dbraw/zinc/97/38/62/571973862.db2.gz KVDJMULOBYEHJY-NNPIPJJVSA-N 0 0 166.264 2.670 10 30 AFEERN CC1=CC(=O)[C@](C)(C(C)C)CC1 32226885 571973966 /nfs/dbraw/zinc/97/39/66/571973966.db2.gz BBWORFHCQMXICH-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(=O)C[C@@H]2CC=CC[C@@]12C 32227975 571974520 /nfs/dbraw/zinc/97/45/20/571974520.db2.gz HFZVZKLOLURZOK-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC(=O)C[C@@H]2CC=CC[C@]12C 32227972 571974754 /nfs/dbraw/zinc/97/47/54/571974754.db2.gz HFZVZKLOLURZOK-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1C(C)=C(C)C(=O)C(C)=C1C 196423421 571975042 /nfs/dbraw/zinc/97/50/42/571975042.db2.gz KNXAPLKRSASDGT-UHFFFAOYSA-N 0 0 162.232 2.798 10 30 AFEERN CC(C)[C@@H](C)C[NH2+][C@H]1CCC[C@@H]1C#N 81059424 571975081 /nfs/dbraw/zinc/97/50/81/571975081.db2.gz QNZYTAAEWZFRBB-TUAOUCFPSA-N 0 0 194.322 2.560 10 30 AFEERN C=C1CCCC[C@@H]1[C@@H](O)/C=C/C 139732855 571975112 /nfs/dbraw/zinc/97/51/12/571975112.db2.gz KVDJMULOBYEHJY-LUSJXZINSA-N 0 0 166.264 2.670 10 30 AFEERN CC[C@H](CC#N)[NH2+]C[C@@H](C)C(C)C 81059154 571975178 /nfs/dbraw/zinc/97/51/78/571975178.db2.gz AZJCUFOTUZBSOD-GHMZBOCLSA-N 0 0 182.311 2.560 10 30 AFEERN CC[C@H](CC#N)[NH2+]C[C@H](C)C(C)C 81059163 571975260 /nfs/dbraw/zinc/97/52/60/571975260.db2.gz AZJCUFOTUZBSOD-WDEREUQCSA-N 0 0 182.311 2.560 10 30 AFEERN CC1(C)[C@H](CC=O)C[C@@H]2C[C@@]21C 139765220 571975421 /nfs/dbraw/zinc/97/54/21/571975421.db2.gz FJFRUAUYJIBJKT-KKZNHRDASA-N 0 0 166.264 2.648 10 30 AFEERN CC1=CC(=O)[C@@]2(CCC=C2C)C1 32302678 571975533 /nfs/dbraw/zinc/97/55/33/571975533.db2.gz GVIULSJTSIXYHG-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN C=C1CCCC[C@H]1[C@@H](O)/C=C/C 139732630 571975613 /nfs/dbraw/zinc/97/56/13/571975613.db2.gz KVDJMULOBYEHJY-MFFLNWJUSA-N 0 0 166.264 2.670 10 30 AFEERN CC[C@@H](CC#N)[NH2+]C[C@@H](C)C(C)C 81059149 571975972 /nfs/dbraw/zinc/97/59/72/571975972.db2.gz AZJCUFOTUZBSOD-MNOVXSKESA-N 0 0 182.311 2.560 10 30 AFEERN CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C#N 81059418 571976114 /nfs/dbraw/zinc/97/61/14/571976114.db2.gz QNZYTAAEWZFRBB-IJLUTSLNSA-N 0 0 194.322 2.560 10 30 AFEERN C=C[C@H](C)Oc1ccc(F)cc1C=O 235538699 571976177 /nfs/dbraw/zinc/97/61/77/571976177.db2.gz RZXGBUKVGFIDJW-QMMMGPOBSA-N 0 0 194.205 2.592 10 30 AFEERN O=C(/C=C\c1ccco1)c1ccncc1 34877110 571976218 /nfs/dbraw/zinc/97/62/18/571976218.db2.gz JPFQNQVOYSQAMH-ARJAWSKDSA-N 0 0 199.209 2.571 10 30 AFEERN CC(C)[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]1C#N 81059414 571976365 /nfs/dbraw/zinc/97/63/65/571976365.db2.gz QNZYTAAEWZFRBB-QJPTWQEYSA-N 0 0 194.322 2.560 10 30 AFEERN CC1=C(C)C(C)(C)[C@@H](CC=O)C1 139804077 571976420 /nfs/dbraw/zinc/97/64/20/571976420.db2.gz OWNXNRSYTLXRQD-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN CC1=C(C)C(C)(C)CCC1=O 32302648 571976524 /nfs/dbraw/zinc/97/65/24/571976524.db2.gz WLPWZBKOSCCCSQ-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC1=C(C)CC(C)(C)CC1=O 32302656 571976641 /nfs/dbraw/zinc/97/66/41/571976641.db2.gz BYXMYJVCRWHICJ-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN CCCC[C@@H]1C(=O)C=CC[C@H]1C 32302691 571976706 /nfs/dbraw/zinc/97/67/06/571976706.db2.gz KAQLHSAURJZXGW-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CCCC[C@]12CC=CC2=O 32302689 571976796 /nfs/dbraw/zinc/97/67/96/571976796.db2.gz OOTGMLILFKXAMM-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN Cc1ccccc1[C@H]1C[C@@H]1C#N 41167344 571977060 /nfs/dbraw/zinc/97/70/60/571977060.db2.gz KJLDLHXBVYRXPG-KOLCDFICSA-N 0 0 157.216 2.622 10 30 AFEERN O=C1C=CC[C@H]1C[C@H]1C=CCCC1 32302963 571976871 /nfs/dbraw/zinc/97/68/71/571976871.db2.gz BLEXDWXZAKSRQC-QWRGUYRKSA-N 0 0 176.259 2.878 10 30 AFEERN CCc1ccc2c(c1)[C@@H](C#N)CC2 41168450 571976949 /nfs/dbraw/zinc/97/69/49/571976949.db2.gz VGWZREOUIHKTCI-LLVKDONJSA-N 0 0 171.243 2.802 10 30 AFEERN C[C@H](C#N)c1ccc2c(c1)CCC2 41168444 571977021 /nfs/dbraw/zinc/97/70/21/571977021.db2.gz ADSZEPQAWFGIIT-SECBINFHSA-N 0 0 171.243 2.802 10 30 AFEERN C=C(C)CC(=O)Cc1ccccc1 39374646 571977029 /nfs/dbraw/zinc/97/70/29/571977029.db2.gz AUSUAUNWTAESTP-UHFFFAOYSA-N 0 0 174.243 2.764 10 30 AFEERN C=C(Cl)Cc1cc(C)ccc1O 196426100 571977088 /nfs/dbraw/zinc/97/70/88/571977088.db2.gz ZPXSIIVVOQZYHQ-UHFFFAOYSA-N 0 0 182.650 2.996 10 30 AFEERN CC1(C)C[C@@H](C#N)c2ccccc21 41168463 571977202 /nfs/dbraw/zinc/97/72/02/571977202.db2.gz SHNOXFOQLGKCFJ-VIFPVBQESA-N 0 0 171.243 2.975 10 30 AFEERN Cc1cccc([C@@H]2C[C@@H]2C#N)c1 41167349 571977225 /nfs/dbraw/zinc/97/72/25/571977225.db2.gz UMZNQVFMXNAMHA-MNOVXSKESA-N 0 0 157.216 2.622 10 30 AFEERN C[C@@H]1C[C@H](C#N)c2ccccc21 41167394 571977349 /nfs/dbraw/zinc/97/73/49/571977349.db2.gz BACWSILAEFBTQV-RKDXNWHRSA-N 0 0 157.216 2.801 10 30 AFEERN CC1(C)C[C@H](C#N)c2ccccc21 41168461 571977450 /nfs/dbraw/zinc/97/74/50/571977450.db2.gz SHNOXFOQLGKCFJ-SECBINFHSA-N 0 0 171.243 2.975 10 30 AFEERN Cc1ccc([C@H](C#N)CC#N)cc1 41168312 571977555 /nfs/dbraw/zinc/97/75/55/571977555.db2.gz MNBJTIHECSNJNP-NSHDSACASA-N 0 0 170.215 2.516 10 30 AFEERN O=C1C=CCSc2ccccc21 196428775 571977569 /nfs/dbraw/zinc/97/75/69/571977569.db2.gz BYAPMOBKPIALNV-UHFFFAOYSA-N 0 0 176.240 2.531 10 30 AFEERN Cc1ccc([C@H]2C[C@@H]2C#N)cc1 41167358 571977678 /nfs/dbraw/zinc/97/76/78/571977678.db2.gz BOEIOPNDFAWQIB-GHMZBOCLSA-N 0 0 157.216 2.622 10 30 AFEERN CCc1ccc([C@H]2C[C@@H]2C#N)cc1 41168425 571977899 /nfs/dbraw/zinc/97/78/99/571977899.db2.gz SVRDKUUIESSJGG-VXGBXAGGSA-N 0 0 171.243 2.876 10 30 AFEERN CC[C@H](C)N[C@H](C#N)[C@@H](C)CC(C)C 300834743 571978978 /nfs/dbraw/zinc/97/89/78/571978978.db2.gz CLIVQHHBDMXKER-SDDRHHMPSA-N 0 0 196.338 2.949 10 30 AFEERN C/C=C/C(=O)C[C@H](C)CC 233993871 571978275 /nfs/dbraw/zinc/97/82/75/571978275.db2.gz MYQJFLVLZUMLHA-YZCDNWJKSA-N 0 0 140.226 2.568 10 30 AFEERN CCc1ccc([C@@H]2C[C@H]2C#N)cc1 41168427 571978536 /nfs/dbraw/zinc/97/85/36/571978536.db2.gz SVRDKUUIESSJGG-RYUDHWBXSA-N 0 0 171.243 2.876 10 30 AFEERN CC[C@H](C)N[C@H](C#N)[C@H](C)CC(C)C 300834742 571978558 /nfs/dbraw/zinc/97/85/58/571978558.db2.gz CLIVQHHBDMXKER-GRYCIOLGSA-N 0 0 196.338 2.949 10 30 AFEERN C#CCC[C@@H](O)[C@@H](C)CCCC 300847761 571983593 /nfs/dbraw/zinc/98/35/93/571983593.db2.gz ARPSVMHWHUNKHS-WDEREUQCSA-N 0 0 168.280 2.587 10 30 AFEERN C[C@@H]1C[C@@H](C#N)c2ccccc21 41167398 571978610 /nfs/dbraw/zinc/97/86/10/571978610.db2.gz BACWSILAEFBTQV-BDAKNGLRSA-N 0 0 157.216 2.801 10 30 AFEERN Cc1cccc([C@H]2C[C@H]2C#N)c1 41167354 571978645 /nfs/dbraw/zinc/97/86/45/571978645.db2.gz UMZNQVFMXNAMHA-WDEREUQCSA-N 0 0 157.216 2.622 10 30 AFEERN C[C@H]1C[C@@H](C#N)c2ccccc21 41167400 571978663 /nfs/dbraw/zinc/97/86/63/571978663.db2.gz BACWSILAEFBTQV-IUCAKERBSA-N 0 0 157.216 2.801 10 30 AFEERN CCc1ccc([C@@H]2C[C@@H]2C#N)cc1 41168423 571978754 /nfs/dbraw/zinc/97/87/54/571978754.db2.gz SVRDKUUIESSJGG-NEPJUHHUSA-N 0 0 171.243 2.876 10 30 AFEERN Cc1ccc(CCCC#N)cc1 41167531 571978766 /nfs/dbraw/zinc/97/87/66/571978766.db2.gz SMRHNIYRFJRKOT-UHFFFAOYSA-N 0 0 159.232 2.841 10 30 AFEERN C=CCC[C@H](O)[C@H]1CCC(F)(F)C1 300834291 571978869 /nfs/dbraw/zinc/97/88/69/571978869.db2.gz FQVGUFULCSMJDO-IUCAKERBSA-N 0 0 190.233 2.749 10 30 AFEERN Cc1ccc([C@H]2C[C@H]2C#N)cc1 41167362 571979046 /nfs/dbraw/zinc/97/90/46/571979046.db2.gz BOEIOPNDFAWQIB-WDEREUQCSA-N 0 0 157.216 2.622 10 30 AFEERN C=CCC[C@@H](O)[C@H]1CCC(F)(F)C1 300834290 571979722 /nfs/dbraw/zinc/97/97/22/571979722.db2.gz FQVGUFULCSMJDO-DTWKUNHWSA-N 0 0 190.233 2.749 10 30 AFEERN Cc1ccc([C@@H]2C[C@H]2C#N)cc1 41167360 571979180 /nfs/dbraw/zinc/97/91/80/571979180.db2.gz BOEIOPNDFAWQIB-QWRGUYRKSA-N 0 0 157.216 2.622 10 30 AFEERN Cc1cccc([C@@H]2C[C@H]2C#N)c1 41167353 571979206 /nfs/dbraw/zinc/97/92/06/571979206.db2.gz UMZNQVFMXNAMHA-QWRGUYRKSA-N 0 0 157.216 2.622 10 30 AFEERN C=CCC[C@@H](O)[C@@H]1CCC(F)(F)C1 300834294 571979765 /nfs/dbraw/zinc/97/97/65/571979765.db2.gz FQVGUFULCSMJDO-RKDXNWHRSA-N 0 0 190.233 2.749 10 30 AFEERN C=CCC[C@H](O)[C@@H]1CCC(F)(F)C1 300834287 571979734 /nfs/dbraw/zinc/97/97/34/571979734.db2.gz FQVGUFULCSMJDO-BDAKNGLRSA-N 0 0 190.233 2.749 10 30 AFEERN Cc1cc(C)c2c(c1)OCC[C@H]2C#N 41203928 571980022 /nfs/dbraw/zinc/98/00/22/571980022.db2.gz NUXFOKCUZADSNY-JTQLQIEISA-N 0 0 187.242 2.693 10 30 AFEERN C=C(CC(C)C)[C@H](CC)CO 113502137 571990019 /nfs/dbraw/zinc/99/00/19/571990019.db2.gz SIRYVCSHTUVRRL-SNVBAGLBSA-N 0 0 156.269 2.607 10 30 AFEERN Cc1ccc(C)c2c1OCC[C@@H]2C#N 41203932 571980194 /nfs/dbraw/zinc/98/01/94/571980194.db2.gz LYWJENXADYNLLH-SNVBAGLBSA-N 0 0 187.242 2.693 10 30 AFEERN c1cc2c(cc1[C@H]1CO1)CCCC2 41198847 571980217 /nfs/dbraw/zinc/98/02/17/571980217.db2.gz CUGDJJYOAQKHQG-GFCCVEGCSA-N 0 0 174.243 2.637 10 30 AFEERN Cc1ccc([C@H](C=O)C2CC2)cc1 41198842 571980249 /nfs/dbraw/zinc/98/02/49/571980249.db2.gz PUSUFGPXZJBGBH-LBPRGKRZSA-N 0 0 174.243 2.688 10 30 AFEERN CCOc1ccccc1[C@@H]1C[C@H]1C#N 41203827 571980269 /nfs/dbraw/zinc/98/02/69/571980269.db2.gz VFUBEKLOELZFBB-GXSJLCMTSA-N 0 0 187.242 2.712 10 30 AFEERN Cc1cc(C)c2c(c1)[C@@H](C#N)CCO2 41203924 571980298 /nfs/dbraw/zinc/98/02/98/571980298.db2.gz BVOQANUMDVJJQH-SNVBAGLBSA-N 0 0 187.242 2.693 10 30 AFEERN CC[C@H](C#N)[C@@]1(O)CC(C)(C)C[C@@H]1C 233996072 571980317 /nfs/dbraw/zinc/98/03/17/571980317.db2.gz CNHLTDAXUXZKLI-HOSYDEDBSA-N 0 0 195.306 2.723 10 30 AFEERN Cc1ccc([C@@H](C=O)C2CC2)cc1 41198839 571980376 /nfs/dbraw/zinc/98/03/76/571980376.db2.gz PUSUFGPXZJBGBH-GFCCVEGCSA-N 0 0 174.243 2.688 10 30 AFEERN CCOc1ccc([C@@H]2C[C@H]2C#N)cc1 41203851 571980378 /nfs/dbraw/zinc/98/03/78/571980378.db2.gz SWJMCPHXXQYXHO-JQWIXIFHSA-N 0 0 187.242 2.712 10 30 AFEERN Cc1ccc([C@@H](C=O)C2CC2)cc1C 41204202 571980497 /nfs/dbraw/zinc/98/04/97/571980497.db2.gz SQRBHTQMHLZSJI-ZDUSSCGKSA-N 0 0 188.270 2.996 10 30 AFEERN CCc1ccc2c(c1)[C@H](C#N)CCO2 41203910 571980503 /nfs/dbraw/zinc/98/05/03/571980503.db2.gz CXIQLEZGKYCHHO-JTQLQIEISA-N 0 0 187.242 2.639 10 30 AFEERN Cc1ccc([C@H](C=O)C2CC2)c(C)c1 41204212 571980526 /nfs/dbraw/zinc/98/05/26/571980526.db2.gz XESFAEXGMRMSNY-CYBMUJFWSA-N 0 0 188.270 2.996 10 30 AFEERN CCOc1cccc([C@H]2C[C@H]2C#N)c1 41203842 571980666 /nfs/dbraw/zinc/98/06/66/571980666.db2.gz CBBAJSUCZVZUNM-CMPLNLGQSA-N 0 0 187.242 2.712 10 30 AFEERN Cc1ccc(C)c2c1OCC[C@H]2C#N 41203930 571980645 /nfs/dbraw/zinc/98/06/45/571980645.db2.gz LYWJENXADYNLLH-JTQLQIEISA-N 0 0 187.242 2.693 10 30 AFEERN CC[C@@H](C#N)c1ccccc1OC 41199171 571980737 /nfs/dbraw/zinc/98/07/37/571980737.db2.gz YKIGGTJSIVVUIY-VIFPVBQESA-N 0 0 175.231 2.712 10 30 AFEERN CCOc1cccc([C@@H]2C[C@H]2C#N)c1 41203839 571980744 /nfs/dbraw/zinc/98/07/44/571980744.db2.gz CBBAJSUCZVZUNM-JQWIXIFHSA-N 0 0 187.242 2.712 10 30 AFEERN C#CCCC[C@@H](O)[C@@H](C)CC(C)C 300840908 571980753 /nfs/dbraw/zinc/98/07/53/571980753.db2.gz DGWIWYFCPZNFPU-NWDGAFQWSA-N 0 0 182.307 2.833 10 30 AFEERN C[C@H]1C[C@H](C#N)c2cc(F)ccc21 41199074 571980754 /nfs/dbraw/zinc/98/07/54/571980754.db2.gz WCZJAABXUVJPLJ-JGVFFNPUSA-N 0 0 175.206 2.940 10 30 AFEERN CC1(C)C[C@H](C#N)c2ccccc2O1 41203950 571980789 /nfs/dbraw/zinc/98/07/89/571980789.db2.gz QQPISSPQUQRPDR-SECBINFHSA-N 0 0 187.242 2.855 10 30 AFEERN Cc1ccc([C@@H](C=O)C2CC2)c(C)c1 41204210 571980796 /nfs/dbraw/zinc/98/07/96/571980796.db2.gz XESFAEXGMRMSNY-ZDUSSCGKSA-N 0 0 188.270 2.996 10 30 AFEERN CC[C@@H](C=O)c1ccc(C)cc1C 41199573 571980798 /nfs/dbraw/zinc/98/07/98/571980798.db2.gz LQXZCMWAZDTVIZ-NSHDSACASA-N 0 0 176.259 2.996 10 30 AFEERN CCOc1ccccc1[C@H]1C[C@H]1C#N 41203830 571980820 /nfs/dbraw/zinc/98/08/20/571980820.db2.gz VFUBEKLOELZFBB-ONGXEEELSA-N 0 0 187.242 2.712 10 30 AFEERN CC[C@@H](C=O)c1ccc2c(c1)CCC2 41204214 571980824 /nfs/dbraw/zinc/98/08/24/571980824.db2.gz VXFCGJHTONQGHP-JTQLQIEISA-N 0 0 188.270 2.868 10 30 AFEERN Cc1ccc(C)c([C@H](O)CCC#N)c1 41204595 571980830 /nfs/dbraw/zinc/98/08/30/571980830.db2.gz IZQFSLABBBHYEX-GFCCVEGCSA-N 0 0 189.258 2.641 10 30 AFEERN O=C[C@H](c1ccc(F)cc1)C1CC1 41200285 571980833 /nfs/dbraw/zinc/98/08/33/571980833.db2.gz DRLZWUHZJVRZHW-NSHDSACASA-N 0 0 178.206 2.518 10 30 AFEERN CC#CCC[C@H](O)CCC(C)(C)C 300840788 571980877 /nfs/dbraw/zinc/98/08/77/571980877.db2.gz JRGBYHHTMVFGMD-NSHDSACASA-N 0 0 182.307 2.977 10 30 AFEERN CCOc1cccc([C@@H]2C[C@@H]2C#N)c1 41203833 571980884 /nfs/dbraw/zinc/98/08/84/571980884.db2.gz CBBAJSUCZVZUNM-PWSUYJOCSA-N 0 0 187.242 2.712 10 30 AFEERN CCc1cccc2c1OCC[C@@H]2C#N 41203914 571980930 /nfs/dbraw/zinc/98/09/30/571980930.db2.gz IBUWDYYKHXPZMZ-SNVBAGLBSA-N 0 0 187.242 2.639 10 30 AFEERN C#CCCC[C@H](O)[C@H](C)CC(C)C 300840906 571980938 /nfs/dbraw/zinc/98/09/38/571980938.db2.gz DGWIWYFCPZNFPU-NEPJUHHUSA-N 0 0 182.307 2.833 10 30 AFEERN Cc1ccc([C@@H](O)CCC#N)cc1C 41204593 571980948 /nfs/dbraw/zinc/98/09/48/571980948.db2.gz LVAFBAHBDMCZJK-LBPRGKRZSA-N 0 0 189.258 2.641 10 30 AFEERN Cc1cc(C)c2c(c1)OCC[C@@H]2C#N 41203926 571980975 /nfs/dbraw/zinc/98/09/75/571980975.db2.gz NUXFOKCUZADSNY-SNVBAGLBSA-N 0 0 187.242 2.693 10 30 AFEERN Cc1ccc(OCC(C)(C)C#N)cc1 41204652 571980986 /nfs/dbraw/zinc/98/09/86/571980986.db2.gz PNELEJNDOVHLJJ-UHFFFAOYSA-N 0 0 189.258 2.924 10 30 AFEERN Cc1ccc(C(C)(C)C=O)c(C)c1 41199555 571980990 /nfs/dbraw/zinc/98/09/90/571980990.db2.gz YCJJYMFXVHSKRW-UHFFFAOYSA-N 0 0 176.259 2.780 10 30 AFEERN C#CCCC[C@H](O)[C@@H](C)CC(C)C 300840910 571981302 /nfs/dbraw/zinc/98/13/02/571981302.db2.gz DGWIWYFCPZNFPU-RYUDHWBXSA-N 0 0 182.307 2.833 10 30 AFEERN Cc1cc(C)c2c(c1)[C@H](C#N)CCO2 41203922 571981314 /nfs/dbraw/zinc/98/13/14/571981314.db2.gz BVOQANUMDVJJQH-JTQLQIEISA-N 0 0 187.242 2.693 10 30 AFEERN Cc1ccc([C@@H](O)CCC#N)c(C)c1 41204617 571981367 /nfs/dbraw/zinc/98/13/67/571981367.db2.gz AYCWWSKAWHLQEY-LBPRGKRZSA-N 0 0 189.258 2.641 10 30 AFEERN C#CCCC[C@@H](O)[C@H](C)CC(C)C 300840913 571981387 /nfs/dbraw/zinc/98/13/87/571981387.db2.gz DGWIWYFCPZNFPU-VXGBXAGGSA-N 0 0 182.307 2.833 10 30 AFEERN CCOc1ccccc1[C@H]1C[C@@H]1C#N 41203825 571981405 /nfs/dbraw/zinc/98/14/05/571981405.db2.gz VFUBEKLOELZFBB-KOLCDFICSA-N 0 0 187.242 2.712 10 30 AFEERN C[C@@H]1C[C@H](C#N)c2cc(F)ccc21 41199071 571981442 /nfs/dbraw/zinc/98/14/42/571981442.db2.gz WCZJAABXUVJPLJ-HTQZYQBOSA-N 0 0 175.206 2.940 10 30 AFEERN Cc1cc(CCCC#N)ccc1F 41199756 571981461 /nfs/dbraw/zinc/98/14/61/571981461.db2.gz RDSWXONLHNJXSY-UHFFFAOYSA-N 0 0 177.222 2.980 10 30 AFEERN Cc1cc(C)c(C)c([C@@H]2CO2)c1C 41199597 571981571 /nfs/dbraw/zinc/98/15/71/571981571.db2.gz HYUQEXBCKYYHIY-NSHDSACASA-N 0 0 176.259 2.992 10 30 AFEERN CCOc1ccc([C@H]2C[C@H]2C#N)cc1 41203854 571981574 /nfs/dbraw/zinc/98/15/74/571981574.db2.gz SWJMCPHXXQYXHO-CMPLNLGQSA-N 0 0 187.242 2.712 10 30 AFEERN C[C@@H]1C[C@@H](C#N)c2cc(F)ccc21 41199077 571981614 /nfs/dbraw/zinc/98/16/14/571981614.db2.gz WCZJAABXUVJPLJ-SFYZADRCSA-N 0 0 175.206 2.940 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CC(C)(C)C[C@@H]1C 233997251 571981636 /nfs/dbraw/zinc/98/16/36/571981636.db2.gz CNHLTDAXUXZKLI-UMNHJUIQSA-N 0 0 195.306 2.723 10 30 AFEERN CC1(C)C[C@@H](C#N)c2ccccc2O1 41203952 571981639 /nfs/dbraw/zinc/98/16/39/571981639.db2.gz QQPISSPQUQRPDR-VIFPVBQESA-N 0 0 187.242 2.855 10 30 AFEERN c1cc2c(cc1[C@@H]1CO1)CCCC2 41198844 571981683 /nfs/dbraw/zinc/98/16/83/571981683.db2.gz CUGDJJYOAQKHQG-LBPRGKRZSA-N 0 0 174.243 2.637 10 30 AFEERN Cc1ccc(C)c([C@@H](O)CCC#N)c1 41204597 571981720 /nfs/dbraw/zinc/98/17/20/571981720.db2.gz IZQFSLABBBHYEX-LBPRGKRZSA-N 0 0 189.258 2.641 10 30 AFEERN O=CC1(C[C@H]2CCCOC2)CCCC1 689397435 571981726 /nfs/dbraw/zinc/98/17/26/571981726.db2.gz HDUDVPVHKLPXJZ-LLVKDONJSA-N 0 0 196.290 2.562 10 30 AFEERN Cc1ccc([C@H](C=O)C2CC2)cc1C 41204204 571981822 /nfs/dbraw/zinc/98/18/22/571981822.db2.gz SQRBHTQMHLZSJI-CYBMUJFWSA-N 0 0 188.270 2.996 10 30 AFEERN CC#CCC[C@@H](O)CCC(C)(C)C 300840787 571981911 /nfs/dbraw/zinc/98/19/11/571981911.db2.gz JRGBYHHTMVFGMD-LLVKDONJSA-N 0 0 182.307 2.977 10 30 AFEERN CC(=O)CC[C@H]1C(=O)C=CCC[C@H]1C 13399682 571982029 /nfs/dbraw/zinc/98/20/29/571982029.db2.gz PGQIQXCQGGDEBH-MWLCHTKSSA-N 0 0 194.274 2.527 10 30 AFEERN Cc1cc(C(=O)CCC#N)ccc1F 41205157 571982246 /nfs/dbraw/zinc/98/22/46/571982246.db2.gz FOCYZNQSJPOZMM-UHFFFAOYSA-N 0 0 191.205 2.621 10 30 AFEERN C=CC[C@@H](C=O)C1CCCCC1 238084630 571982435 /nfs/dbraw/zinc/98/24/35/571982435.db2.gz AZEZQVQYEAQPHM-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H](C#N)c1cc(F)ccc1OC 41206166 571982480 /nfs/dbraw/zinc/98/24/80/571982480.db2.gz UZVIQBJFADNJFU-QMMMGPOBSA-N 0 0 193.221 2.851 10 30 AFEERN Cc1cc([C@@H](C=O)C2CC2)ccc1F 41205848 571982986 /nfs/dbraw/zinc/98/29/86/571982986.db2.gz VIZARDNJVRHJFS-NSHDSACASA-N 0 0 192.233 2.827 10 30 AFEERN CC(C)C[C@@H](C)CN(C)[C@@H](C)C#N 300842527 571983001 /nfs/dbraw/zinc/98/30/01/571983001.db2.gz DKJGTRIWYVAWSL-MNOVXSKESA-N 0 0 182.311 2.512 10 30 AFEERN Cc1cc([C@H](C=O)C2CC2)ccc1F 41205849 571983416 /nfs/dbraw/zinc/98/34/16/571983416.db2.gz VIZARDNJVRHJFS-LLVKDONJSA-N 0 0 192.233 2.827 10 30 AFEERN CCOc1cc(C)c([C@@H]2CO2)cc1C 41205910 571983421 /nfs/dbraw/zinc/98/34/21/571983421.db2.gz TUJSURDWJPFHOR-LBPRGKRZSA-N 0 0 192.258 2.773 10 30 AFEERN C#CCC[C@H](O)[C@H](C)CCCC 300847752 571983470 /nfs/dbraw/zinc/98/34/70/571983470.db2.gz ARPSVMHWHUNKHS-MNOVXSKESA-N 0 0 168.280 2.587 10 30 AFEERN Cc1cc(C)c(OCCS)cc1C 41207415 571983486 /nfs/dbraw/zinc/98/34/86/571983486.db2.gz CSEDISFPWCBWEZ-UHFFFAOYSA-N 0 0 196.315 2.920 10 30 AFEERN C#CCC[C@@H](O)[C@H](C)CCCC 300847747 571983583 /nfs/dbraw/zinc/98/35/83/571983583.db2.gz ARPSVMHWHUNKHS-GHMZBOCLSA-N 0 0 168.280 2.587 10 30 AFEERN CC[C@H](C#N)c1cc(F)ccc1OC 41206167 571983751 /nfs/dbraw/zinc/98/37/51/571983751.db2.gz UZVIQBJFADNJFU-MRVPVSSYSA-N 0 0 193.221 2.851 10 30 AFEERN C=C[C@H](C)Nc1ccc(COC)cc1 300846534 571983973 /nfs/dbraw/zinc/98/39/73/571983973.db2.gz GGFOQSKMGPDKCG-JTQLQIEISA-N 0 0 191.274 2.819 10 30 AFEERN CC(C)C[C@@H](C)CN(C)[C@H](C)C#N 300842525 571984364 /nfs/dbraw/zinc/98/43/64/571984364.db2.gz DKJGTRIWYVAWSL-GHMZBOCLSA-N 0 0 182.311 2.512 10 30 AFEERN C=C1C[C@@]2(C)C(=O)C[C@@H]1C2(C)C 13535980 571984379 /nfs/dbraw/zinc/98/43/79/571984379.db2.gz LPKWGQXZFZTOLT-KWQFWETISA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)C[C@H](C)CN(C)[C@@H](C)C#N 300842529 571984545 /nfs/dbraw/zinc/98/45/45/571984545.db2.gz DKJGTRIWYVAWSL-QWRGUYRKSA-N 0 0 182.311 2.512 10 30 AFEERN Cc1ccccc1C(=O)/C=C\Cl 217966037 571984742 /nfs/dbraw/zinc/98/47/42/571984742.db2.gz YYDVZLCZNLLLAS-SREVYHEPSA-N 0 0 180.634 2.930 10 30 AFEERN C=C[C@](C)(CC(=C)C)C(C)=O 18685095 571984769 /nfs/dbraw/zinc/98/47/69/571984769.db2.gz FKDJOGIUHOTTGS-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN CCCCOc1ccc([C@@H]2CO2)cc1 34559551 571985086 /nfs/dbraw/zinc/98/50/86/571985086.db2.gz BIKZOIMAGDSSOU-LBPRGKRZSA-N 0 0 192.258 2.937 10 30 AFEERN CCCCC/C=C\CC#CCO 217963941 571985097 /nfs/dbraw/zinc/98/50/97/571985097.db2.gz GCURXCLNYBWIMQ-SREVYHEPSA-N 0 0 166.264 2.509 10 30 AFEERN N#CCCc1c[nH]c(-c2ccccc2)n1 114037034 571985240 /nfs/dbraw/zinc/98/52/40/571985240.db2.gz QBJKMPPBWQMKGY-UHFFFAOYSA-N 0 0 197.241 2.533 10 30 AFEERN C=C[C@@](C)(CC(=C)C)C(C)=O 18685097 571985471 /nfs/dbraw/zinc/98/54/71/571985471.db2.gz FKDJOGIUHOTTGS-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN C=C(C)CSc1nnc(C2CC2)o1 41368313 571985821 /nfs/dbraw/zinc/98/58/21/571985821.db2.gz NIGJWCQUAZXYTC-UHFFFAOYSA-N 0 0 196.275 2.615 10 30 AFEERN C=CCCCCCn1ccc(C)n1 235806724 571986776 /nfs/dbraw/zinc/98/67/76/571986776.db2.gz URLCPEOFAMBOKJ-UHFFFAOYSA-N 0 0 178.279 2.938 10 30 AFEERN O=CC1(Sc2ccccc2)CC1 196169808 571988077 /nfs/dbraw/zinc/98/80/77/571988077.db2.gz RFHLLYYMPZQOFZ-UHFFFAOYSA-N 0 0 178.256 2.510 10 30 AFEERN CCCC/C=C\CCC=O 13547548 571987330 /nfs/dbraw/zinc/98/73/30/571987330.db2.gz QPULDJYQYDGZEI-WAYWQWQTSA-N 0 0 140.226 2.712 10 30 AFEERN N#CCC[C@@H]1CCCCCCC1=O 196162403 571987699 /nfs/dbraw/zinc/98/76/99/571987699.db2.gz HOGLAHNCLICYLM-JTQLQIEISA-N 0 0 179.263 2.830 10 30 AFEERN CCCCCCCC/C=C\C(N)=O 114058137 571987713 /nfs/dbraw/zinc/98/77/13/571987713.db2.gz UBNOUEFUWQCVFM-KTKRTIGZSA-N 0 0 183.295 2.779 10 30 AFEERN C=CCC[C@H](O)[C@@H]1CCC[C@H]1C 300211632 571987810 /nfs/dbraw/zinc/98/78/10/571987810.db2.gz RHMVDNZFWRKETP-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C=CCC[C@H](CO)C1CCCC1 404422162 571988263 /nfs/dbraw/zinc/98/82/63/571988263.db2.gz CVJIOFBPNSONCR-LLVKDONJSA-N 0 0 168.280 2.751 10 30 AFEERN C=CCC[C@@H](CO)C1CCCC1 404422163 571988010 /nfs/dbraw/zinc/98/80/10/571988010.db2.gz CVJIOFBPNSONCR-NSHDSACASA-N 0 0 168.280 2.751 10 30 AFEERN C[C@@H](C#C[Si](C)(C)C(C)(C)C)CO 196172623 571988020 /nfs/dbraw/zinc/98/80/20/571988020.db2.gz XAWDLDHQUVTLRZ-JTQLQIEISA-N 0 0 198.382 2.666 10 30 AFEERN CC#C/C=C(\C)[C@H]1CCCC(=O)C1 218008063 571988335 /nfs/dbraw/zinc/98/83/35/571988335.db2.gz LJCKKGKCQBRUOX-RUYJGKKWSA-N 0 0 176.259 2.715 10 30 AFEERN CC#C/C=C(\C)[C@@H]1CCCC(=O)C1 218007970 571988647 /nfs/dbraw/zinc/98/86/47/571988647.db2.gz LJCKKGKCQBRUOX-CDCCAWJDSA-N 0 0 176.259 2.715 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)[C@@H](C)CC(C)C 300855546 571989511 /nfs/dbraw/zinc/98/95/11/571989511.db2.gz FWEHWBYSGDUSAD-SDDRHHMPSA-N 0 0 197.322 2.969 10 30 AFEERN N#Cc1cccc(Oc2ccccc2)n1 81620702 571989539 /nfs/dbraw/zinc/98/95/39/571989539.db2.gz OQCMPSSUMHMATF-UHFFFAOYSA-N 0 0 196.209 2.746 10 30 AFEERN CCCCCCCC/C=C/C(N)=O 114058138 571989593 /nfs/dbraw/zinc/98/95/93/571989593.db2.gz UBNOUEFUWQCVFM-MDZDMXLPSA-N 0 0 183.295 2.779 10 30 AFEERN C=C(CC(C)C)[C@@H](CC)CO 113502133 571989746 /nfs/dbraw/zinc/98/97/46/571989746.db2.gz SIRYVCSHTUVRRL-JTQLQIEISA-N 0 0 156.269 2.607 10 30 AFEERN SC/C=C\COc1ccccc1 211622501 571989795 /nfs/dbraw/zinc/98/97/95/571989795.db2.gz FJCZYZSRGKKFQW-PLNGDYQASA-N 0 0 180.272 2.551 10 30 AFEERN Cc1cccc(CCC[C@H]2CO2)c1 34567645 571991213 /nfs/dbraw/zinc/99/12/13/571991213.db2.gz AHSAVZCUPPDNHO-LBPRGKRZSA-N 0 0 176.259 2.717 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)[C@@H](C)CC(C)C 300855544 571990230 /nfs/dbraw/zinc/99/02/30/571990230.db2.gz FWEHWBYSGDUSAD-QJPTWQEYSA-N 0 0 197.322 2.969 10 30 AFEERN O=C1C=CCC1=C1CCCCC1 196176834 571990392 /nfs/dbraw/zinc/99/03/92/571990392.db2.gz QZDPALMPKBGPJG-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN Cc1ccc([C@H](C#N)NC(C)C)s1 41675146 571991192 /nfs/dbraw/zinc/99/11/92/571991192.db2.gz XNQHVRODVMWPDT-VIFPVBQESA-N 0 0 194.303 2.619 10 30 AFEERN CC1=C2C(=O)CC[C@H]2C(C)(C)C1 139944976 571990494 /nfs/dbraw/zinc/99/04/94/571990494.db2.gz IFCHOARDENHBIP-MRVPVSSYSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)=C1CC[C@@H](C)[C@H](C=O)C1 139904961 571990537 /nfs/dbraw/zinc/99/05/37/571990537.db2.gz CPLXOQWABJBMMH-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)[C@H](C)CC(C)C 300855542 571990632 /nfs/dbraw/zinc/99/06/32/571990632.db2.gz FWEHWBYSGDUSAD-IJLUTSLNSA-N 0 0 197.322 2.969 10 30 AFEERN Cc1cccc(CCC[C@@H]2CO2)c1 34567642 571991121 /nfs/dbraw/zinc/99/11/21/571991121.db2.gz AHSAVZCUPPDNHO-GFCCVEGCSA-N 0 0 176.259 2.717 10 30 AFEERN CC(C)=C1CC[C@@H](C)[C@@H](C=O)C1 139904653 571991137 /nfs/dbraw/zinc/99/11/37/571991137.db2.gz CPLXOQWABJBMMH-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)c1ccccc1CC(C)=O 139947305 571991149 /nfs/dbraw/zinc/99/11/49/571991149.db2.gz MULJDNOVVIHSMG-UHFFFAOYSA-N 0 0 174.243 2.851 10 30 AFEERN C=C(C)[C@@]1(C)CCC(C)=C[C@H]1O 206930842 571991420 /nfs/dbraw/zinc/99/14/20/571991420.db2.gz QOYWPZBDMXKBSD-GHMZBOCLSA-N 0 0 166.264 2.670 10 30 AFEERN Cc1c(Cl)cccc1OCC#N 149126826 571991599 /nfs/dbraw/zinc/99/15/99/571991599.db2.gz QJOZPEXXRAOGDP-UHFFFAOYSA-N 0 0 181.622 2.551 10 30 AFEERN C=C(C)C(C)(C)CC(C)=O 196179951 571991755 /nfs/dbraw/zinc/99/17/55/571991755.db2.gz WKJQJHSXRRPLJS-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@@H](C(C)=O)c1ccccc1 196178729 571991839 /nfs/dbraw/zinc/99/18/39/571991839.db2.gz ODJFEEKLCNDLKV-NSHDSACASA-N 0 0 160.216 2.545 10 30 AFEERN C=C(C)[C@@]1(C)CCC(C)=C[C@@H]1O 206930804 571991889 /nfs/dbraw/zinc/99/18/89/571991889.db2.gz QOYWPZBDMXKBSD-WDEREUQCSA-N 0 0 166.264 2.670 10 30 AFEERN C[C@@H]1CC[C@H]2[C@@H]1[C@@H](C=O)[C@@H]1CC[C@@]12C 140043401 571992228 /nfs/dbraw/zinc/99/22/28/571992228.db2.gz BGVXWSFLDFERQT-OKGQBYDBSA-N 0 0 192.302 2.894 10 30 AFEERN C=C[C@H](C(C)=O)c1ccccc1 196178722 571991976 /nfs/dbraw/zinc/99/19/76/571991976.db2.gz ODJFEEKLCNDLKV-LLVKDONJSA-N 0 0 160.216 2.545 10 30 AFEERN C=C=C(C(=O)CC)c1ccccc1 140006326 571992009 /nfs/dbraw/zinc/99/20/09/571992009.db2.gz HAAQHICMDQBNGF-UHFFFAOYSA-N 0 0 172.227 2.834 10 30 AFEERN CC(C)C1=C2CCC[C@@H]2CC1=O 139983824 571992017 /nfs/dbraw/zinc/99/20/17/571992017.db2.gz PVUDUBLEHJPINV-MRVPVSSYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(CC)C(=O)Nc1ccccc1 140019628 571992146 /nfs/dbraw/zinc/99/21/46/571992146.db2.gz HYGWQJQDFKYKDP-UHFFFAOYSA-N 0 0 175.231 2.591 10 30 AFEERN CC(C)[C@H]1O[C@H]1C1=CCCCC1 39104065 571992227 /nfs/dbraw/zinc/99/22/27/571992227.db2.gz CFDUYVBSFZJMEI-MNOVXSKESA-N 0 0 166.264 2.910 10 30 AFEERN O=C[C@@H]1CCCCC2=CCC[C@H]21 140007728 571992222 /nfs/dbraw/zinc/99/22/22/571992222.db2.gz VLBNAUCKBHHZPW-WDEREUQCSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)[C@@H]1C(=O)C=C2CCCC[C@@H]21 140021268 571992302 /nfs/dbraw/zinc/99/23/02/571992302.db2.gz KMDADPZSTVTBSW-JQWIXIFHSA-N 0 0 178.275 2.958 10 30 AFEERN O=C1C=C2CCCCCC[C@@H]2C1 139964052 571992375 /nfs/dbraw/zinc/99/23/75/571992375.db2.gz AXVSYTVIWWUMIV-SNVBAGLBSA-N 0 0 164.248 2.856 10 30 AFEERN O=C[C@H]1CCCCC2=CCC[C@H]21 140008024 571992583 /nfs/dbraw/zinc/99/25/83/571992583.db2.gz VLBNAUCKBHHZPW-GHMZBOCLSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)Cc1cccc2c1CC[C@H]2O 140062497 571992486 /nfs/dbraw/zinc/99/24/86/571992486.db2.gz ZORGLSXUUAPFJK-CYBMUJFWSA-N 0 0 188.270 2.785 10 30 AFEERN Cc1ccsc1[C@@H](C#N)NC(C)C 41673263 571992548 /nfs/dbraw/zinc/99/25/48/571992548.db2.gz IKIXDKKMGDTXPX-SECBINFHSA-N 0 0 194.303 2.619 10 30 AFEERN CC(C)(C)CCCN1CCC[C@H]1C#N 300867496 571992694 /nfs/dbraw/zinc/99/26/94/571992694.db2.gz MUYCMSSBZAKVRV-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)[C@@H]1C(=O)C=C2CCC[C@H]21 139972486 571992743 /nfs/dbraw/zinc/99/27/43/571992743.db2.gz YAGAPWAUOOEBED-KOLCDFICSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)C[C@@H](NN)[C@@H](C)CCCC 300861416 571992777 /nfs/dbraw/zinc/99/27/77/571992777.db2.gz CMIGOAXYCROYCU-WDEREUQCSA-N 0 0 184.327 2.611 10 30 AFEERN C=C=C(C(C)=O)c1ccc(C)cc1 140006629 571992856 /nfs/dbraw/zinc/99/28/56/571992856.db2.gz QTVDSNYWDZZQGO-UHFFFAOYSA-N 0 0 172.227 2.752 10 30 AFEERN CC(C)[C@H]1C(=O)C=C2CCC[C@H]21 139972331 571993050 /nfs/dbraw/zinc/99/30/50/571993050.db2.gz YAGAPWAUOOEBED-MWLCHTKSSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)C[C@H](NN)[C@H](C)CCCC 300861412 571993385 /nfs/dbraw/zinc/99/33/85/571993385.db2.gz CMIGOAXYCROYCU-MNOVXSKESA-N 0 0 184.327 2.611 10 30 AFEERN CC(C)(C)CCCN1CCC[C@@H]1C#N 300867495 571993388 /nfs/dbraw/zinc/99/33/88/571993388.db2.gz MUYCMSSBZAKVRV-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN C=C(C)Cc1cccc2c1CC[C@@H]2O 140062357 571994153 /nfs/dbraw/zinc/99/41/53/571994153.db2.gz ZORGLSXUUAPFJK-ZDUSSCGKSA-N 0 0 188.270 2.785 10 30 AFEERN CC(C)[C@H]1C(=O)C=C2CCCC[C@@H]21 140021124 571993878 /nfs/dbraw/zinc/99/38/78/571993878.db2.gz KMDADPZSTVTBSW-CMPLNLGQSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@H]1CCc2cc(O)ccc2N1 139985241 571993890 /nfs/dbraw/zinc/99/38/90/571993890.db2.gz LUIJRTWMZJRVBN-SNVBAGLBSA-N 0 0 189.258 2.695 10 30 AFEERN CC(=O)C(=C1CC1)c1ccccc1 206990361 571993916 /nfs/dbraw/zinc/99/39/16/571993916.db2.gz XQHHYQASSVNHLV-UHFFFAOYSA-N 0 0 172.227 2.823 10 30 AFEERN C=CC[C@H]1CCc2cc(O)ccc2N1 139985367 571994009 /nfs/dbraw/zinc/99/40/09/571994009.db2.gz LUIJRTWMZJRVBN-JTQLQIEISA-N 0 0 189.258 2.695 10 30 AFEERN CCCC[C@@H](C)C(=O)C1=CCCO1 300872262 571995304 /nfs/dbraw/zinc/99/53/04/571995304.db2.gz DYYDJAIQDUCBER-SECBINFHSA-N 0 0 182.263 2.686 10 30 AFEERN CC(C)C[C@@H](C)C[C@]1(C#N)CCOC1 300873346 571996101 /nfs/dbraw/zinc/99/61/01/571996101.db2.gz HXLXAGQGCIDOOK-NEPJUHHUSA-N 0 0 195.306 2.989 10 30 AFEERN CCCC[C@H](C)C(=O)C1=CCCO1 300872263 571994874 /nfs/dbraw/zinc/99/48/74/571994874.db2.gz DYYDJAIQDUCBER-VIFPVBQESA-N 0 0 182.263 2.686 10 30 AFEERN CC(C)C[C@@H](C)C[C@@]1(C#N)CCOC1 300873352 571994938 /nfs/dbraw/zinc/99/49/38/571994938.db2.gz HXLXAGQGCIDOOK-VXGBXAGGSA-N 0 0 195.306 2.989 10 30 AFEERN CC(C)C[C@H](C)C[C@]1(C#N)CCOC1 300873350 571995530 /nfs/dbraw/zinc/99/55/30/571995530.db2.gz HXLXAGQGCIDOOK-RYUDHWBXSA-N 0 0 195.306 2.989 10 30 AFEERN CC1C[C@@H](C)C(CC=O)[C@H](C)C1 34593651 571995615 /nfs/dbraw/zinc/99/56/15/571995615.db2.gz FCSZDJXIACXHAI-WYNUPADASA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)C[C@H](C)C[C@@]1(C#N)CCOC1 300873348 571995716 /nfs/dbraw/zinc/99/57/16/571995716.db2.gz HXLXAGQGCIDOOK-NWDGAFQWSA-N 0 0 195.306 2.989 10 30 AFEERN CCc1ncc(C#N)cc1C(C)(C)C 74276929 571996213 /nfs/dbraw/zinc/99/62/13/571996213.db2.gz JABNKGZJFYPNFU-UHFFFAOYSA-N 0 0 188.274 2.813 10 30 AFEERN CCCNN=CCC(C)(C)SC 393445475 571995942 /nfs/dbraw/zinc/99/59/42/571995942.db2.gz SBPUOOSFRHQUAF-UHFFFAOYSA-N 0 0 188.340 2.504 10 30 AFEERN CC1C[C@H](C)C(CC=O)[C@@H](C)C1 34593652 571996069 /nfs/dbraw/zinc/99/60/69/571996069.db2.gz FCSZDJXIACXHAI-SEQHWMEXSA-N 0 0 168.280 2.894 10 30 AFEERN Cc1cc(-c2cscc2C#N)no1 74274465 571996190 /nfs/dbraw/zinc/99/61/90/571996190.db2.gz YYJHQHJEMVSOEA-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN N#Cc1[nH]c(C2CCCC2)nc1Cl 219524466 571996399 /nfs/dbraw/zinc/99/63/99/571996399.db2.gz JGRFMKKLEHNNDN-UHFFFAOYSA-N 0 0 195.653 2.592 10 30 AFEERN CC[C@H](C)CSC[C@@]1(C)CO1 234013704 571997138 /nfs/dbraw/zinc/99/71/38/571997138.db2.gz LAPILKDYVMBDIL-DTWKUNHWSA-N 0 0 174.309 2.555 10 30 AFEERN Cc1ncc(-c2cscc2C#N)o1 74274467 571997290 /nfs/dbraw/zinc/99/72/90/571997290.db2.gz BVPLMPJXOOQQDB-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN CC1=C(C(=O)C2=CCCCO2)CCC1 39112251 571997296 /nfs/dbraw/zinc/99/72/96/571997296.db2.gz DHLNKNDQRGEZRP-UHFFFAOYSA-N 0 0 192.258 2.750 10 30 AFEERN CC1(C)CC=C(C(=O)C2=CCCO2)C1 39112250 571997843 /nfs/dbraw/zinc/99/78/43/571997843.db2.gz SDJAXDCWNVOXGA-UHFFFAOYSA-N 0 0 192.258 2.606 10 30 AFEERN Cc1cnc2c(c1)CCC[C@@]2(C)C#N 39212854 571998597 /nfs/dbraw/zinc/99/85/97/571998597.db2.gz RAQHNEYZSLCTLR-LBPRGKRZSA-N 0 0 186.258 2.508 10 30 AFEERN CCO[C@H](C#N)c1cc(C)ccc1F 233771122 571999454 /nfs/dbraw/zinc/99/94/54/571999454.db2.gz IKTDYAFGFKBSOY-LLVKDONJSA-N 0 0 193.221 2.735 10 30 AFEERN CCO[C@H](C#N)c1cc(F)ccc1C 233771182 571999672 /nfs/dbraw/zinc/99/96/72/571999672.db2.gz QZHIQDKCIWAVSM-LLVKDONJSA-N 0 0 193.221 2.735 10 30 AFEERN CC/C=C\C(=O)CCOCCCC 687697459 572000797 /nfs/dbraw/zinc/00/07/97/572000797.db2.gz XGRTYULPCCSRMN-ALCCZGGFSA-N 0 0 184.279 2.729 10 30 AFEERN Cc1ccc(-c2nc(C#N)c[nH]2)c(C)c1 219592965 572001901 /nfs/dbraw/zinc/00/19/01/572001901.db2.gz RAAHAOJQYJGEMB-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C[C@H]1CCCC[C@@H]1C(Cl)=NO 394839840 572002088 /nfs/dbraw/zinc/00/20/88/572002088.db2.gz NSFNDFOAILWVRR-BQBZGAKWSA-N 0 0 175.659 2.839 10 30 AFEERN CC1(C)CCC(C)(C)C1C#N 34211628 572002099 /nfs/dbraw/zinc/00/20/99/572002099.db2.gz GITUFTUQIKDSAW-UHFFFAOYSA-N 0 0 151.253 2.972 10 30 AFEERN CC/C=C/C(=O)CCOCCCC 687697460 572002272 /nfs/dbraw/zinc/00/22/72/572002272.db2.gz XGRTYULPCCSRMN-FNORWQNLSA-N 0 0 184.279 2.729 10 30 AFEERN C=CCC(C)(C#N)CC=C 34175414 572003024 /nfs/dbraw/zinc/00/30/24/572003024.db2.gz CQCXOSWDRMIQTO-UHFFFAOYSA-N 0 0 135.210 2.668 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)c1ccccc1 34414472 572003578 /nfs/dbraw/zinc/00/35/78/572003578.db2.gz CMJFIJJHWGTYFM-NEPJUHHUSA-N 0 0 189.258 2.660 10 30 AFEERN C=CC[C@@H](O)Cc1cccc(Cl)c1 34455319 572003621 /nfs/dbraw/zinc/00/36/21/572003621.db2.gz UYRHPUDCXPOLSE-LLVKDONJSA-N 0 0 196.677 2.820 10 30 AFEERN CC(C)Cc1ccc(CC=O)cc1 34534134 572004156 /nfs/dbraw/zinc/00/41/56/572004156.db2.gz HIHWQKNGFIXOTK-UHFFFAOYSA-N 0 0 176.259 2.627 10 30 AFEERN C[C@H]1CCCC[C@H]1C(Cl)=NO 394839843 572003902 /nfs/dbraw/zinc/00/39/02/572003902.db2.gz NSFNDFOAILWVRR-NKWVEPMBSA-N 0 0 175.659 2.839 10 30 AFEERN CC[C@@H](C#N)N[C@H](C)CCC(C)C 68944638 572004068 /nfs/dbraw/zinc/00/40/68/572004068.db2.gz ZEIGKSOMILQWNI-MNOVXSKESA-N 0 0 182.311 2.703 10 30 AFEERN C[C@@H]1CCCC[C@H]1C(Cl)=NO 394839846 572004127 /nfs/dbraw/zinc/00/41/27/572004127.db2.gz NSFNDFOAILWVRR-RNFRBKRXSA-N 0 0 175.659 2.839 10 30 AFEERN CC[C@H](C#N)N[C@H](C)CCC(C)C 68944639 572004946 /nfs/dbraw/zinc/00/49/46/572004946.db2.gz ZEIGKSOMILQWNI-GHMZBOCLSA-N 0 0 182.311 2.703 10 30 AFEERN C=CCCC(=O)c1cnc(C)s1 235814581 572004657 /nfs/dbraw/zinc/00/46/57/572004657.db2.gz ZGCXKGCXRNVCLD-UHFFFAOYSA-N 0 0 181.260 2.600 10 30 AFEERN CC(C)CCC[C@@H](C)C#N 60004897 572004774 /nfs/dbraw/zinc/00/47/74/572004774.db2.gz AHGKTDMTUMZVTH-SECBINFHSA-N 0 0 139.242 2.972 10 30 AFEERN CC[C@@H](C#N)N[C@@H](C)CCC(C)C 68944633 572004980 /nfs/dbraw/zinc/00/49/80/572004980.db2.gz ZEIGKSOMILQWNI-QWRGUYRKSA-N 0 0 182.311 2.703 10 30 AFEERN C[C@@H]1CC=C(C(=O)C(F)(F)F)CC1 687697765 572005267 /nfs/dbraw/zinc/00/52/67/572005267.db2.gz YCUYZSZEZXGYMO-ZCFIWIBFSA-N 0 0 192.180 2.864 10 30 AFEERN CCCCCC[C@@H]1OCC[C@H]1C=O 238214828 572005837 /nfs/dbraw/zinc/00/58/37/572005837.db2.gz UCIMUOXDCYEHLL-QWRGUYRKSA-N 0 0 184.279 2.561 10 30 AFEERN CC(C)(C)CC(C)(C)C#N 34729632 572006446 /nfs/dbraw/zinc/00/64/46/572006446.db2.gz UEDKSMIHDDPTAG-UHFFFAOYSA-N 0 0 139.242 2.972 10 30 AFEERN Cc1cc(Nc2ccccc2C#N)no1 687697665 572006565 /nfs/dbraw/zinc/00/65/65/572006565.db2.gz SJAMALFMLAOGHQ-UHFFFAOYSA-N 0 0 199.213 2.598 10 30 AFEERN CC[C@@H]1CCC[C@@](C=O)(CCOC)C1 317323166 572006587 /nfs/dbraw/zinc/00/65/87/572006587.db2.gz PGQLOCSAHHGLHY-VXGBXAGGSA-N 0 0 198.306 2.808 10 30 AFEERN C=C(CC)CC(=O)[C@H]1CC1(C)C 232816942 572006866 /nfs/dbraw/zinc/00/68/66/572006866.db2.gz LQWVAOPTVWZILK-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN COC[C@@H](C)C(=O)C=C1CCCCC1 687698214 572007015 /nfs/dbraw/zinc/00/70/15/572007015.db2.gz FSOOZCRSELAKFN-SNVBAGLBSA-N 0 0 196.290 2.729 10 30 AFEERN CCCCCCC[C@H](C=O)OC 238230704 572007149 /nfs/dbraw/zinc/00/71/49/572007149.db2.gz IRFAWJNEOPQJIY-SNVBAGLBSA-N 0 0 172.268 2.561 10 30 AFEERN CC(C)OCCC1=CC(=O)C[C@H](C)C1 687697885 572008041 /nfs/dbraw/zinc/00/80/41/572008041.db2.gz QROJMKZWJXHCQJ-SNVBAGLBSA-N 0 0 196.290 2.727 10 30 AFEERN CCOCCC(=O)C=C1CCCCC1 687697827 572007753 /nfs/dbraw/zinc/00/77/53/572007753.db2.gz BMNVCCYNBJMQIP-UHFFFAOYSA-N 0 0 196.290 2.873 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@H](C)CC=C 114185708 572007807 /nfs/dbraw/zinc/00/78/07/572007807.db2.gz UIBYEFXZWRLTDD-NXEZZACHSA-N 0 0 166.264 2.980 10 30 AFEERN CC(C)OCCC1=CC(=O)C[C@@H](C)C1 687697884 572007945 /nfs/dbraw/zinc/00/79/45/572007945.db2.gz QROJMKZWJXHCQJ-JTQLQIEISA-N 0 0 196.290 2.727 10 30 AFEERN C=CCCCCC[C@H](NN)[C@H]1C[C@H]1C 300226265 572008034 /nfs/dbraw/zinc/00/80/34/572008034.db2.gz UHUXLECHWXEYHR-WOPDTQHZSA-N 0 0 196.338 2.611 10 30 AFEERN CC(C)OCCC1=CC(=O)CCCC1 687697879 572008092 /nfs/dbraw/zinc/00/80/92/572008092.db2.gz PSSFZFDQIWKSNU-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN COC[C@H](C)C(=O)C=C1CCCCC1 687698213 572008304 /nfs/dbraw/zinc/00/83/04/572008304.db2.gz FSOOZCRSELAKFN-JTQLQIEISA-N 0 0 196.290 2.729 10 30 AFEERN COC[C@@H](C)C(=O)C1=CCCCCC1 687698298 572008890 /nfs/dbraw/zinc/00/88/90/572008890.db2.gz UYLIAIDMHGLWIA-SNVBAGLBSA-N 0 0 196.290 2.729 10 30 AFEERN C[C@H](CC#N)C(=O)c1ccccc1F 33426632 572009092 /nfs/dbraw/zinc/00/90/92/572009092.db2.gz BAXLEAXGOFJKPK-MRVPVSSYSA-N 0 0 191.205 2.558 10 30 AFEERN C[C@H]1CC=C([C@@H](C)C=O)CC1 14588732 572009572 /nfs/dbraw/zinc/00/95/72/572009572.db2.gz SPXGCTAVKRKSKR-IUCAKERBSA-N 0 0 152.237 2.568 10 30 endogenous,in-man AFEERN C[C@H](CC#N)C(=O)c1ccc(F)cc1 33426634 572010001 /nfs/dbraw/zinc/01/00/01/572010001.db2.gz DTDRJHHEVDNKRX-MRVPVSSYSA-N 0 0 191.205 2.558 10 30 AFEERN C[C@H]1CC=CC[C@H]1COCCCC#N 34958462 572009628 /nfs/dbraw/zinc/00/96/28/572009628.db2.gz XURONCSWKCFDJT-RYUDHWBXSA-N 0 0 193.290 2.909 10 30 AFEERN CCCCCC[C@H](C=O)SC 238212006 572009662 /nfs/dbraw/zinc/00/96/62/572009662.db2.gz DLAPCIKUQBYPMS-SECBINFHSA-N 0 0 174.309 2.887 10 30 AFEERN C=C/C=C/[C@@H](CCCCC)OCC=O 213967848 572009848 /nfs/dbraw/zinc/00/98/48/572009848.db2.gz IUVCPIAGPMJAEK-WMADIVHISA-N 0 0 196.290 2.893 10 30 AFEERN C=CCCOCc1ccccc1C#N 34958464 572009943 /nfs/dbraw/zinc/00/99/43/572009943.db2.gz QOGGILDMMITXKL-UHFFFAOYSA-N 0 0 187.242 2.651 10 30 AFEERN C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CC=O 14614538 572010951 /nfs/dbraw/zinc/01/09/51/572010951.db2.gz DQFZAJLLIXCPGQ-AXFHLTTASA-N 0 0 164.248 2.568 10 30 endogenous,in-man AFEERN C=CC[C@H](O)c1nccc2ccccc12 68958943 572010212 /nfs/dbraw/zinc/01/02/12/572010212.db2.gz IMFDVJXRYVYNHO-LBPRGKRZSA-N 0 0 199.253 2.844 10 30 AFEERN C[C@@H]1CC=CC[C@H]1COCCCC#N 34958461 572010330 /nfs/dbraw/zinc/01/03/30/572010330.db2.gz XURONCSWKCFDJT-NEPJUHHUSA-N 0 0 193.290 2.909 10 30 AFEERN N#CCCCOCc1ccccc1F 68954358 572010464 /nfs/dbraw/zinc/01/04/64/572010464.db2.gz OVJDISRXOUDJCI-UHFFFAOYSA-N 0 0 193.221 2.646 10 30 AFEERN CC#CC[C@@H](O)[C@H](C)CCCC 300881272 572010467 /nfs/dbraw/zinc/01/04/67/572010467.db2.gz GDKIBFBVELUGNP-GHMZBOCLSA-N 0 0 168.280 2.587 10 30 AFEERN C[C@@H]1CC=C([C@H](C)C=O)CC1 14588735 572010551 /nfs/dbraw/zinc/01/05/51/572010551.db2.gz SPXGCTAVKRKSKR-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 endogenous,in-man AFEERN C[C@H](C=O)C1=CC[C@H](C)CC1 14588734 572010571 /nfs/dbraw/zinc/01/05/71/572010571.db2.gz SPXGCTAVKRKSKR-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 endogenous,in-man AFEERN C[C@@H]1CC=C([C@@H](C)C=O)CC1 14588733 572010583 /nfs/dbraw/zinc/01/05/83/572010583.db2.gz SPXGCTAVKRKSKR-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 endogenous,in-man AFEERN CC#CC[C@H](O)[C@@H](C)CCCC 300881275 572010656 /nfs/dbraw/zinc/01/06/56/572010656.db2.gz GDKIBFBVELUGNP-QWRGUYRKSA-N 0 0 168.280 2.587 10 30 AFEERN C#CCOc1ccc2ccc(O)cc2c1 34962485 572010788 /nfs/dbraw/zinc/01/07/88/572010788.db2.gz ZRZHHWIRSRNAAK-UHFFFAOYSA-N 0 0 198.221 2.557 10 30 AFEERN C[C@H]1CC=CC[C@@H]1COCCCC#N 34958460 572010794 /nfs/dbraw/zinc/01/07/94/572010794.db2.gz XURONCSWKCFDJT-NWDGAFQWSA-N 0 0 193.290 2.909 10 30 AFEERN CC[C@H](C#N)OCc1ccccc1F 68954355 572010799 /nfs/dbraw/zinc/01/07/99/572010799.db2.gz ROJWBYVBFATLPS-SNVBAGLBSA-N 0 0 193.221 2.644 10 30 AFEERN C=C1CC[C@@H](C(C)C)CC1=O 14589009 572010946 /nfs/dbraw/zinc/01/09/46/572010946.db2.gz QIHBCMQXRORFNY-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC#CC[C@H](O)[C@H](C)CCCC 300881274 572011138 /nfs/dbraw/zinc/01/11/38/572011138.db2.gz GDKIBFBVELUGNP-MNOVXSKESA-N 0 0 168.280 2.587 10 30 AFEERN C[C@@H]1CC=CC[C@@H]1COCCCC#N 34958459 572011158 /nfs/dbraw/zinc/01/11/58/572011158.db2.gz XURONCSWKCFDJT-VXGBXAGGSA-N 0 0 193.290 2.909 10 30 AFEERN C=CC[C@@H](O)c1nccc2ccccc12 68958945 572011182 /nfs/dbraw/zinc/01/11/82/572011182.db2.gz IMFDVJXRYVYNHO-GFCCVEGCSA-N 0 0 199.253 2.844 10 30 AFEERN CC[C@@H](C#N)OCc1ccccc1F 68954353 572011218 /nfs/dbraw/zinc/01/12/18/572011218.db2.gz ROJWBYVBFATLPS-JTQLQIEISA-N 0 0 193.221 2.644 10 30 AFEERN CCC1CCC(C=O)(C[C@@H](C)O)CC1 317326068 572011558 /nfs/dbraw/zinc/01/15/58/572011558.db2.gz ZTDZLDJEFPNYIE-VOMCLLRMSA-N 0 0 198.306 2.543 10 30 AFEERN CCCCNN=C(C)[C@H]1CC1(C)C 393455005 572011846 /nfs/dbraw/zinc/01/18/46/572011846.db2.gz ZKTVRUCSCPOYTC-SNVBAGLBSA-N 0 0 182.311 2.798 10 30 AFEERN CCCC[C@](C#N)(CC)NC(C)C 68988478 572012546 /nfs/dbraw/zinc/01/25/46/572012546.db2.gz SIZDBPXIXSGBQP-NSHDSACASA-N 0 0 182.311 2.847 10 30 AFEERN CCCC[C@@](C#N)(CC)N1CCCC1 68989198 572013000 /nfs/dbraw/zinc/01/30/00/572013000.db2.gz BAXDHWKKKHBIIM-GFCCVEGCSA-N 0 0 194.322 2.945 10 30 AFEERN CCCC[C@@](C#N)(CC)NCCC 68988474 572012898 /nfs/dbraw/zinc/01/28/98/572012898.db2.gz XKLQEAWWEHYCIC-LLVKDONJSA-N 0 0 182.311 2.849 10 30 AFEERN CCCC[C@@](C#N)(CC)NC(C)C 68988481 572012927 /nfs/dbraw/zinc/01/29/27/572012927.db2.gz SIZDBPXIXSGBQP-LLVKDONJSA-N 0 0 182.311 2.847 10 30 AFEERN C#CCNc1cccc2c(O)cccc12 68990619 572012960 /nfs/dbraw/zinc/01/29/60/572012960.db2.gz RMCLOOJOTUAQSJ-UHFFFAOYSA-N 0 0 197.237 2.591 10 30 AFEERN CCCC[C@](C#N)(CC)N1CCCC1 68989195 572013006 /nfs/dbraw/zinc/01/30/06/572013006.db2.gz BAXDHWKKKHBIIM-LBPRGKRZSA-N 0 0 194.322 2.945 10 30 AFEERN C#CCNc1ccc(C)c2ncccc12 68990420 572013164 /nfs/dbraw/zinc/01/31/64/572013164.db2.gz GIXUTTOJOMNJIC-UHFFFAOYSA-N 0 0 196.253 2.588 10 30 AFEERN C=CCN[C@@](C#N)(CC)CCCC 68988662 572013218 /nfs/dbraw/zinc/01/32/18/572013218.db2.gz WZOLOTCGIBXWHV-NSHDSACASA-N 0 0 180.295 2.625 10 30 AFEERN CCCCNN=C(C)[C@@H]1CC1(C)C 393455004 572013425 /nfs/dbraw/zinc/01/34/25/572013425.db2.gz ZKTVRUCSCPOYTC-JTQLQIEISA-N 0 0 182.311 2.798 10 30 AFEERN N#Cc1cc(-c2cccc(F)c2)ccn1 219642368 572013435 /nfs/dbraw/zinc/01/34/35/572013435.db2.gz UGAMGUGUJWKEBM-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C#CCNc1cccc(-n2cccc2)c1 68990437 572013478 /nfs/dbraw/zinc/01/34/78/572013478.db2.gz YQDSPRBCJMHKAK-UHFFFAOYSA-N 0 0 196.253 2.522 10 30 AFEERN CCCC[C@@](C#N)(CC)NCC1CC1 68988584 572013571 /nfs/dbraw/zinc/01/35/71/572013571.db2.gz LWAMNJRCLDGAIS-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN CCCCCCCCC(=O)CCO 81957087 572013579 /nfs/dbraw/zinc/01/35/79/572013579.db2.gz UICMYIKAWAQLAX-UHFFFAOYSA-N 0 0 186.295 2.689 10 30 AFEERN C=CCCC[C@H](NN)[C@@H]1CCC[C@H]1C 300231314 572013730 /nfs/dbraw/zinc/01/37/30/572013730.db2.gz CBYMJOQKZLHAOS-UTUOFQBUSA-N 0 0 196.338 2.611 10 30 AFEERN C#CCNc1ccc(C(C)(C)C#N)cc1 68989821 572013844 /nfs/dbraw/zinc/01/38/44/572013844.db2.gz GAOIXCCGTRSFHX-UHFFFAOYSA-N 0 0 198.269 2.533 10 30 AFEERN C=CCN[C@](C#N)(CC)CCCC 68988665 572013887 /nfs/dbraw/zinc/01/38/87/572013887.db2.gz WZOLOTCGIBXWHV-LLVKDONJSA-N 0 0 180.295 2.625 10 30 AFEERN CCCC[C@](C#N)(CC)NC1CC1 68988484 572013947 /nfs/dbraw/zinc/01/39/47/572013947.db2.gz LSHCZAFMXGARLE-NSHDSACASA-N 0 0 180.295 2.601 10 30 AFEERN CC(=O)/C1=C\CCCCCC1 114243306 572014322 /nfs/dbraw/zinc/01/43/22/572014322.db2.gz OTTUWUUZYZNZJD-YFHOEESVSA-N 0 0 152.237 2.856 10 30 AFEERN C=CCCC[C@H](NN)[C@H]1CCC[C@H]1C 300231315 572014349 /nfs/dbraw/zinc/01/43/49/572014349.db2.gz CBYMJOQKZLHAOS-WOPDTQHZSA-N 0 0 196.338 2.611 10 30 AFEERN CCCC[C@@](C#N)(CC)NC1CC1 68988486 572014359 /nfs/dbraw/zinc/01/43/59/572014359.db2.gz LSHCZAFMXGARLE-LLVKDONJSA-N 0 0 180.295 2.601 10 30 AFEERN CCCC[C@](C#N)(CC)NCCC 68988455 572014374 /nfs/dbraw/zinc/01/43/74/572014374.db2.gz XKLQEAWWEHYCIC-NSHDSACASA-N 0 0 182.311 2.849 10 30 AFEERN C/C=C\C(=O)CCOCCC(C)C 687698631 572014536 /nfs/dbraw/zinc/01/45/36/572014536.db2.gz FETCJLWQMXFSBJ-PLNGDYQASA-N 0 0 184.279 2.584 10 30 AFEERN C=C(CC)C[C@H](NN)[C@H]1CCC[C@H]1C 300236253 572014937 /nfs/dbraw/zinc/01/49/37/572014937.db2.gz UKEQFMDAGJOUSH-WOPDTQHZSA-N 0 0 196.338 2.611 10 30 AFEERN CCC(=CC(=O)C[C@@H]1CCCO1)CC 687698809 572016078 /nfs/dbraw/zinc/01/60/78/572016078.db2.gz NSGPTXCVGZRKOJ-LBPRGKRZSA-N 0 0 196.290 2.871 10 30 AFEERN CC(C)=CC(=O)CCOCCC(C)C 687698697 572015736 /nfs/dbraw/zinc/01/57/36/572015736.db2.gz UQJFWVPCDZTPOF-UHFFFAOYSA-N 0 0 198.306 2.975 10 30 AFEERN CO[C@@H](CC=O)c1ccc(Cl)cc1 238376010 572015802 /nfs/dbraw/zinc/01/58/02/572015802.db2.gz ABIFKCVABMHWOM-JTQLQIEISA-N 0 0 198.649 2.617 10 30 AFEERN C#CCCC[C@H](O)[C@H]1CCC[C@H]1C 300232890 572016022 /nfs/dbraw/zinc/01/60/22/572016022.db2.gz ISJMAKMDMKTWRX-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN CC(C)C(=O)/C=C\C(C)(C)C 82153033 572016027 /nfs/dbraw/zinc/01/60/27/572016027.db2.gz LJFXVPJMPFJFBU-SREVYHEPSA-N 0 0 154.253 2.814 10 30 AFEERN CCC[C@H](C#N)C(=O)[C@@H]1CCC[C@H]1C 300237313 572016732 /nfs/dbraw/zinc/01/67/32/572016732.db2.gz YJWRJYGTTRQKNN-GMTAPVOTSA-N 0 0 193.290 2.932 10 30 AFEERN CCC[C@H](C#N)C(=O)[C@H]1CCC[C@H]1C 300237314 572016863 /nfs/dbraw/zinc/01/68/63/572016863.db2.gz YJWRJYGTTRQKNN-MXWKQRLJSA-N 0 0 193.290 2.932 10 30 AFEERN CC/C=C/C(=O)CCOCCC(C)C 687698698 572016891 /nfs/dbraw/zinc/01/68/91/572016891.db2.gz UQSJYHZDQCZDED-AATRIKPKSA-N 0 0 198.306 2.975 10 30 AFEERN C[C@H](NC[C@@H](C)C#N)c1cccs1 35206878 572016908 /nfs/dbraw/zinc/01/69/08/572016908.db2.gz KUVXGQVNHRFXCI-IUCAKERBSA-N 0 0 194.303 2.558 10 30 AFEERN C=C([C@H](O)[C@H](C)CCC)C(F)(F)F 388664689 572016930 /nfs/dbraw/zinc/01/69/30/572016930.db2.gz WFISAFYTEUPTMF-HTRCEHHLSA-N 0 0 196.212 2.902 10 30 AFEERN CC1=CC[C@@H](C)C(C)(C)C1=O 14764701 572017268 /nfs/dbraw/zinc/01/72/68/572017268.db2.gz KXRGNMKZVAJQJO-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CC[C@@H](C)C(C)(C)[C@@H]1C=O 14764690 572017796 /nfs/dbraw/zinc/01/77/96/572017796.db2.gz BTFBPMQRSSBITM-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN C#C[C@](C)(O)c1cccc2ccccc12 219664151 572017980 /nfs/dbraw/zinc/01/79/80/572017980.db2.gz KGAJJNIPGDQVKJ-AWEZNQCLSA-N 0 0 196.249 2.681 10 30 AFEERN C[C@H]1CCCC2=CC(=O)C=C[C@]21C 14823251 572020501 /nfs/dbraw/zinc/02/05/01/572020501.db2.gz GCQBBQFHAVKHMN-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H]1CCCC2=CC(=O)C=C[C@]21C 14823249 572021188 /nfs/dbraw/zinc/02/11/88/572021188.db2.gz GCQBBQFHAVKHMN-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN CCSc1nccc(C#N)c1Cl 233825340 572021203 /nfs/dbraw/zinc/02/12/03/572021203.db2.gz RKLIRIGUPPHTRG-UHFFFAOYSA-N 0 0 198.678 2.719 10 30 AFEERN C[C@@H]1CCCC2=CC(=O)C=C[C@@]21C 14823253 572021696 /nfs/dbraw/zinc/02/16/96/572021696.db2.gz GCQBBQFHAVKHMN-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)[C@@H]1C[C@H](CC=O)C1(C)C 207114039 572021741 /nfs/dbraw/zinc/02/17/41/572021741.db2.gz QPUSCGRTONWCCE-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN CCCCNN=C1CC(C(C)C)C1 393464055 572022181 /nfs/dbraw/zinc/02/21/81/572022181.db2.gz KXWQFYKKVRJRBO-UHFFFAOYSA-N 0 0 182.311 2.798 10 30 AFEERN CCOc1ccc(CCCC=O)cc1 71425397 572022987 /nfs/dbraw/zinc/02/29/87/572022987.db2.gz LZUXGXLVJPBMNT-UHFFFAOYSA-N 0 0 192.258 2.607 10 30 AFEERN CCOc1ccccc1CCCC=O 71425412 572023059 /nfs/dbraw/zinc/02/30/59/572023059.db2.gz RJMKWGZGQUWRTF-UHFFFAOYSA-N 0 0 192.258 2.607 10 30 AFEERN COc1cccc(CCCCC=O)c1 71425454 572023137 /nfs/dbraw/zinc/02/31/37/572023137.db2.gz FYXBJXTYAQLNNT-UHFFFAOYSA-N 0 0 192.258 2.607 10 30 AFEERN CC(C)C[C@@H](C)CC[C@H]1CO1 300888941 572023280 /nfs/dbraw/zinc/02/32/80/572023280.db2.gz JQVOYOVPEQTWCY-UWVGGRQHSA-N 0 0 156.269 2.848 10 30 AFEERN CC(C)C[C@H](C)CC[C@@H]1CO1 300888937 572023308 /nfs/dbraw/zinc/02/33/08/572023308.db2.gz JQVOYOVPEQTWCY-NXEZZACHSA-N 0 0 156.269 2.848 10 30 AFEERN CO[C@H](CC=O)c1cccc(Cl)c1 238400342 572023311 /nfs/dbraw/zinc/02/33/11/572023311.db2.gz WEHNSJKADKTSNQ-SNVBAGLBSA-N 0 0 198.649 2.617 10 30 AFEERN C=CCC[C@@H](C)[C@@H]1CCCC1=O 238413693 572023911 /nfs/dbraw/zinc/02/39/11/572023911.db2.gz ZMBLKCQQPGECGP-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN O=CCCCCc1ccc(F)c(F)c1 71425499 572023962 /nfs/dbraw/zinc/02/39/62/572023962.db2.gz RYTIOOGUDUTWQW-UHFFFAOYSA-N 0 0 198.212 2.877 10 30 AFEERN C=CCCOc1cccc(Cl)n1 82460648 572024126 /nfs/dbraw/zinc/02/41/26/572024126.db2.gz DYABSJIELCQTBM-UHFFFAOYSA-N 0 0 183.638 2.690 10 30 AFEERN C=C[C@@H](C)ONCCC(C)(C)C 400838287 572024795 /nfs/dbraw/zinc/02/47/95/572024795.db2.gz JGELUSUKIDMISN-SECBINFHSA-N 0 0 171.284 2.518 10 30 AFEERN COc1ccccc1CCCCC=O 71425467 572024711 /nfs/dbraw/zinc/02/47/11/572024711.db2.gz CCOUILVIBONXGK-UHFFFAOYSA-N 0 0 192.258 2.607 10 30 AFEERN C=C(C)CON[C@@H](CC)[C@H]1CC1(C)C 400830975 572025129 /nfs/dbraw/zinc/02/51/29/572025129.db2.gz PFMNVLMIRGUFFW-MNOVXSKESA-N 0 0 197.322 2.908 10 30 AFEERN CCC(CC)NN=C1CC(C)C1 393467965 572025421 /nfs/dbraw/zinc/02/54/21/572025421.db2.gz MIWZNSQTRXPVGT-UHFFFAOYSA-N 0 0 168.284 2.551 10 30 AFEERN C=C(C)CON[C@H](CC)[C@H]1CC1(C)C 400830974 572025577 /nfs/dbraw/zinc/02/55/77/572025577.db2.gz PFMNVLMIRGUFFW-GHMZBOCLSA-N 0 0 197.322 2.908 10 30 AFEERN O=CCCC(=O)c1ccccc1Cl 167932085 572025630 /nfs/dbraw/zinc/02/56/30/572025630.db2.gz DTRVAUCIFUYGMB-UHFFFAOYSA-N 0 0 196.633 2.502 10 30 AFEERN C=C(C)CON[C@@H](CC)[C@@H]1CC1(C)C 400830977 572025760 /nfs/dbraw/zinc/02/57/60/572025760.db2.gz PFMNVLMIRGUFFW-QWRGUYRKSA-N 0 0 197.322 2.908 10 30 AFEERN C=CC[C@@H](O)C[C@@H](C)CC(C)C 300893557 572025835 /nfs/dbraw/zinc/02/58/35/572025835.db2.gz KDPGZNXJOTWUCL-WDEREUQCSA-N 0 0 170.296 2.996 10 30 AFEERN C=CC[C@@H](O)C[C@H](C)CC(C)C 300893549 572025844 /nfs/dbraw/zinc/02/58/44/572025844.db2.gz KDPGZNXJOTWUCL-GHMZBOCLSA-N 0 0 170.296 2.996 10 30 AFEERN C=C(C)CON[C@H](CC)[C@@H]1CC1(C)C 400830979 572026098 /nfs/dbraw/zinc/02/60/98/572026098.db2.gz PFMNVLMIRGUFFW-WDEREUQCSA-N 0 0 197.322 2.908 10 30 AFEERN C=CCOc1ccccc1[C@H](O)CC 35625696 572027798 /nfs/dbraw/zinc/02/77/98/572027798.db2.gz FIRWYEAMNLNNMZ-LLVKDONJSA-N 0 0 192.258 2.695 10 30 AFEERN C=CCC[C@H](O)c1sc(C)nc1C 235832008 572027383 /nfs/dbraw/zinc/02/73/83/572027383.db2.gz QBFZJDBXIGAGLN-VIFPVBQESA-N 0 0 197.303 2.760 10 30 AFEERN C=CCC[C@@H](O)c1sc(C)nc1C 235833312 572027500 /nfs/dbraw/zinc/02/75/00/572027500.db2.gz QBFZJDBXIGAGLN-SECBINFHSA-N 0 0 197.303 2.760 10 30 AFEERN C[C@@]1(COCC2CCCCCC2)CO1 300895749 572027777 /nfs/dbraw/zinc/02/77/77/572027777.db2.gz IFHOYRBQOFBYLX-GFCCVEGCSA-N 0 0 198.306 2.762 10 30 AFEERN CCCCCCCC(=O)[C@H](O)C1CC1 232935097 572028605 /nfs/dbraw/zinc/02/86/05/572028605.db2.gz CUQPXGJBXQTZRW-GFCCVEGCSA-N 0 0 198.306 2.687 10 30 AFEERN C=CCOc1ccccc1[C@@H](O)CC 35625695 572028614 /nfs/dbraw/zinc/02/86/14/572028614.db2.gz FIRWYEAMNLNNMZ-NSHDSACASA-N 0 0 192.258 2.695 10 30 AFEERN C#CCCOc1ccc(CC)cc1 82494115 572028695 /nfs/dbraw/zinc/02/86/95/572028695.db2.gz UUGSWPXJSFQPAV-UHFFFAOYSA-N 0 0 174.243 2.651 10 30 AFEERN C#CCCN(CC)c1ccc(C)cc1 82494001 572030591 /nfs/dbraw/zinc/03/05/91/572030591.db2.gz PUCKSZSWBDLBBS-UHFFFAOYSA-N 0 0 187.286 2.845 10 30 AFEERN CCCC[C@H](C#N)C(=O)C(C)C 238796567 572029653 /nfs/dbraw/zinc/02/96/53/572029653.db2.gz BYYFSXKNERPEOH-SECBINFHSA-N 0 0 167.252 2.541 10 30 AFEERN C#CCCN(C)c1ccc(CC)cc1 82493997 572030610 /nfs/dbraw/zinc/03/06/10/572030610.db2.gz TVFRFBXJCNDEMP-UHFFFAOYSA-N 0 0 187.286 2.709 10 30 AFEERN CON=C[C@@H](C)C1CCCCC1 393473197 572030770 /nfs/dbraw/zinc/03/07/70/572030770.db2.gz HABIWNTUVHVERX-SECBINFHSA-N 0 0 169.268 2.835 10 30 AFEERN C#CCCOc1ccccc1CC 82494100 572030859 /nfs/dbraw/zinc/03/08/59/572030859.db2.gz APKJBDVGFURBDJ-UHFFFAOYSA-N 0 0 174.243 2.651 10 30 AFEERN CSCCC(=O)C1=CCCCC1 235028590 572031176 /nfs/dbraw/zinc/03/11/76/572031176.db2.gz GWMFYMBDCUEJPL-UHFFFAOYSA-N 0 0 184.304 2.809 10 30 AFEERN C#CCCC(=O)Cc1ccc(C)cc1 82497369 572032390 /nfs/dbraw/zinc/03/23/90/572032390.db2.gz VWDQPAGFKVBFCZ-UHFFFAOYSA-N 0 0 186.254 2.520 10 30 AFEERN CON=C[C@H](C)C1CCCCC1 393473198 572032395 /nfs/dbraw/zinc/03/23/95/572032395.db2.gz HABIWNTUVHVERX-VIFPVBQESA-N 0 0 169.268 2.835 10 30 AFEERN C#CCCNc1cccc(OCC)c1 82497006 572031914 /nfs/dbraw/zinc/03/19/14/572031914.db2.gz FLPPXGZQLGANGD-UHFFFAOYSA-N 0 0 189.258 2.521 10 30 AFEERN C#CCCC(=O)Cc1cccc(C)c1 82497357 572031917 /nfs/dbraw/zinc/03/19/17/572031917.db2.gz JZXJEERXPFUBGA-UHFFFAOYSA-N 0 0 186.254 2.520 10 30 AFEERN C#CCC[C@@H]1C[C@H](CCC)CC[C@H]1O 82498873 572031965 /nfs/dbraw/zinc/03/19/65/572031965.db2.gz LOAHDDILSPYUMR-JHJVBQTASA-N 0 0 194.318 2.977 10 30 AFEERN C#CCC[C@@H]1C[C@H](CCC)CC[C@@H]1O 82498870 572032018 /nfs/dbraw/zinc/03/20/18/572032018.db2.gz LOAHDDILSPYUMR-UPJWGTAASA-N 0 0 194.318 2.977 10 30 AFEERN C#CCC[C@](O)(CC)c1ccccc1 82497259 572032063 /nfs/dbraw/zinc/03/20/63/572032063.db2.gz QYYPIDHQSMWWJM-CYBMUJFWSA-N 0 0 188.270 2.698 10 30 AFEERN C#CCC[C@@H]1C[C@@H](CCC)CC[C@H]1O 82498874 572032195 /nfs/dbraw/zinc/03/21/95/572032195.db2.gz LOAHDDILSPYUMR-YNEHKIRRSA-N 0 0 194.318 2.977 10 30 AFEERN C#CCC[C@H](O)c1ccc(CC)cc1 82497437 572032298 /nfs/dbraw/zinc/03/22/98/572032298.db2.gz JHADPWSQVISEND-ZDUSSCGKSA-N 0 0 188.270 2.696 10 30 AFEERN C#CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1O 82498872 572032331 /nfs/dbraw/zinc/03/23/31/572032331.db2.gz LOAHDDILSPYUMR-XQQFMLRXSA-N 0 0 194.318 2.977 10 30 AFEERN C#CCCC(=O)c1ccc(CC)cc1 82497327 572032619 /nfs/dbraw/zinc/03/26/19/572032619.db2.gz HBSWBIXAKBTAHN-UHFFFAOYSA-N 0 0 186.254 2.845 10 30 AFEERN C#CCCC(=O)Cc1ccccc1C 82497355 572032718 /nfs/dbraw/zinc/03/27/18/572032718.db2.gz YRUDHRPNZJDHBZ-UHFFFAOYSA-N 0 0 186.254 2.520 10 30 AFEERN C#CCC[C@@H](O)c1ccc(CC)cc1 82497436 572032796 /nfs/dbraw/zinc/03/27/96/572032796.db2.gz JHADPWSQVISEND-CYBMUJFWSA-N 0 0 188.270 2.696 10 30 AFEERN C#CCC[C@@](O)(CC)c1ccccc1 82497260 572032832 /nfs/dbraw/zinc/03/28/32/572032832.db2.gz QYYPIDHQSMWWJM-ZDUSSCGKSA-N 0 0 188.270 2.698 10 30 AFEERN C#CCCC[C@@H](O)c1ccccc1 82498799 572032903 /nfs/dbraw/zinc/03/29/03/572032903.db2.gz ITFXMVSZWJCFJQ-GFCCVEGCSA-N 0 0 174.243 2.524 10 30 AFEERN CCC(=O)/C(C)=C\[C@@H](C)CC 15120825 572036040 /nfs/dbraw/zinc/03/60/40/572036040.db2.gz MPPFPNPXTYYJBQ-FZGDARCMSA-N 0 0 154.253 2.958 10 30 AFEERN C#CCCC[C@H](O)c1ccccc1 82498797 572033309 /nfs/dbraw/zinc/03/33/09/572033309.db2.gz ITFXMVSZWJCFJQ-LBPRGKRZSA-N 0 0 174.243 2.524 10 30 AFEERN C=C(C)C[S@@](=O)C1CCCCC1 526883867 572033589 /nfs/dbraw/zinc/03/35/89/572033589.db2.gz FKZQWJWHTLXFGS-GFCCVEGCSA-N 0 0 186.320 2.644 10 30 AFEERN C=C(C)C[S@@](=O)CCCCCC 526885854 572033720 /nfs/dbraw/zinc/03/37/20/572033720.db2.gz VQRSYIOVRVXRCM-LBPRGKRZSA-N 0 0 188.336 2.892 10 30 AFEERN C=C(C)C[S@](=O)CCCCCC 526885852 572033739 /nfs/dbraw/zinc/03/37/39/572033739.db2.gz VQRSYIOVRVXRCM-GFCCVEGCSA-N 0 0 188.336 2.892 10 30 AFEERN C#CCCOc1ccccc1SC 82504079 572034017 /nfs/dbraw/zinc/03/40/17/572034017.db2.gz GTVHPTSUFWSBSE-UHFFFAOYSA-N 0 0 192.283 2.811 10 30 AFEERN C=C(C)C[S@](=O)C1CCCCC1 526883869 572034227 /nfs/dbraw/zinc/03/42/27/572034227.db2.gz FKZQWJWHTLXFGS-LBPRGKRZSA-N 0 0 186.320 2.644 10 30 AFEERN C=C(C)CONCCC(C)(C)C 400844522 572034780 /nfs/dbraw/zinc/03/47/80/572034780.db2.gz MXJMTKJCCKNFFM-UHFFFAOYSA-N 0 0 171.284 2.520 10 30 AFEERN C=C(C)C[S@@](=O)CCCCC 526884010 572034841 /nfs/dbraw/zinc/03/48/41/572034841.db2.gz GJXUQJGEQUOLBZ-NSHDSACASA-N 0 0 174.309 2.501 10 30 AFEERN C=C(C)C[S@](=O)CCCCC 526884009 572034897 /nfs/dbraw/zinc/03/48/97/572034897.db2.gz GJXUQJGEQUOLBZ-LLVKDONJSA-N 0 0 174.309 2.501 10 30 AFEERN C=CCOc1cc(C)ccc1[C@H](C)O 82502457 572036688 /nfs/dbraw/zinc/03/66/88/572036688.db2.gz KEDCJTISIHGYNC-JTQLQIEISA-N 0 0 192.258 2.613 10 30 AFEERN CC1=C(C(C)C)[C@H](C)CC1=O 33835069 572036706 /nfs/dbraw/zinc/03/67/06/572036706.db2.gz MHOOHEDSFHDJGE-SSDOTTSWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCCCCC[C@H](NN)[C@H]1C[C@@H]1C 235591592 572036709 /nfs/dbraw/zinc/03/67/09/572036709.db2.gz UHUXLECHWXEYHR-SRVKXCTJSA-N 0 0 196.338 2.611 10 30 AFEERN CC[C@H]1C[C@H]1Nc1ccccc1C#N 234133825 572036905 /nfs/dbraw/zinc/03/69/05/572036905.db2.gz ISMRHHMNWATOPT-JOYOIKCWSA-N 0 0 186.258 2.769 10 30 AFEERN CC1=C(C(C)C)[C@@H](C)CC1=O 33835070 572037078 /nfs/dbraw/zinc/03/70/78/572037078.db2.gz MHOOHEDSFHDJGE-ZETCQYMHSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C/C(=O)C(CC)CC 15204817 572037454 /nfs/dbraw/zinc/03/74/54/572037454.db2.gz MSXDTHULENTPKK-QPJJXVBHSA-N 0 0 140.226 2.568 10 30 AFEERN CCCCC/C=C/CC=O 33820562 572037696 /nfs/dbraw/zinc/03/76/96/572037696.db2.gz YXEAENVLZOODMT-VOTSOKGWSA-N 0 0 140.226 2.712 10 30 in-vitro AFEERN CC(=O)/C=C/CCC=C(C)C 33841604 572037928 /nfs/dbraw/zinc/03/79/28/572037928.db2.gz LBAQIHZOLWWEAI-SOFGYWHQSA-N 0 0 152.237 2.878 10 30 AFEERN C=CCC(=O)[C@@H](C)CCCC 300903728 572039351 /nfs/dbraw/zinc/03/93/51/572039351.db2.gz JFFHPOZCMPDFKB-VIFPVBQESA-N 0 0 154.253 2.958 10 30 AFEERN C=C(C)[C@@H](O)[C@H](C)CCCC 300906674 572038752 /nfs/dbraw/zinc/03/87/52/572038752.db2.gz JNRNCWHSHVBXSX-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)[C@H](O)[C@H](C)CCCC 300906683 572038946 /nfs/dbraw/zinc/03/89/46/572038946.db2.gz JNRNCWHSHVBXSX-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN CC(=O)C=CNc1ccc(Cl)cc1 33846460 572039020 /nfs/dbraw/zinc/03/90/20/572039020.db2.gz LODXJZFOQAAXHC-VOTSOKGWSA-N 0 0 195.649 2.855 10 30 AFEERN CC1=CC(=O)Sc2ccccc2N1 33852351 572039115 /nfs/dbraw/zinc/03/91/15/572039115.db2.gz GDBPKPCQGLTBKA-UHFFFAOYSA-N 0 0 191.255 2.635 10 30 AFEERN CC[C@H](C#N)C(=O)CCC(C)(C)C 300906584 572039152 /nfs/dbraw/zinc/03/91/52/572039152.db2.gz RLHOGRLLPAUVBX-SECBINFHSA-N 0 0 181.279 2.932 10 30 AFEERN C=CCCCNN1[C@@H](C)CCC[C@H]1C 214832270 572039577 /nfs/dbraw/zinc/03/95/77/572039577.db2.gz ZXFSDDXMULSGLF-TXEJJXNPSA-N 0 0 196.338 2.720 10 30 AFEERN CCC1=C[C@@H](C)CC(C)(C)C1=O 15205789 572040498 /nfs/dbraw/zinc/04/04/98/572040498.db2.gz CEPKOCWFQKOARE-MRVPVSSYSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCCC(=O)OC(C)(C)C 114286621 572040696 /nfs/dbraw/zinc/04/06/96/572040696.db2.gz XNBBRQGAPIDYKF-UHFFFAOYSA-N 0 0 170.252 2.684 10 30 AFEERN C=C(C)[C@@H](O)[C@@H](C)CCCC 300906680 572040765 /nfs/dbraw/zinc/04/07/65/572040765.db2.gz JNRNCWHSHVBXSX-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN CCCC(=O)/C=C/C(C)C 33843253 572040786 /nfs/dbraw/zinc/04/07/86/572040786.db2.gz KBOYTXRTSGPWID-VOTSOKGWSA-N 0 0 140.226 2.568 10 30 AFEERN Cc1c(C#N)cccc1NC1CCC1 134833343 572041053 /nfs/dbraw/zinc/04/10/53/572041053.db2.gz XZASBQOHVSZVOJ-UHFFFAOYSA-N 0 0 186.258 2.831 10 30 AFEERN C=CCCCCC[C@H](O)CSC 235050589 572041979 /nfs/dbraw/zinc/04/19/79/572041979.db2.gz HUAFZQKKRBHCPD-JTQLQIEISA-N 0 0 188.336 2.847 10 30 AFEERN C[C@H](C#N)N(C)CCCC(C)(C)C 300914105 572042164 /nfs/dbraw/zinc/04/21/64/572042164.db2.gz SKUJNYGKHUWLKW-SNVBAGLBSA-N 0 0 182.311 2.657 10 30 AFEERN CC(C)C[C@@H](C)[C@H](C#N)NC(C)C 300910252 572042305 /nfs/dbraw/zinc/04/23/05/572042305.db2.gz LTQQFFZYYIELBH-MNOVXSKESA-N 0 0 182.311 2.559 10 30 AFEERN CC(C)C[C@H](C)[C@@H](C#N)NC(C)C 300910254 572042477 /nfs/dbraw/zinc/04/24/77/572042477.db2.gz LTQQFFZYYIELBH-WDEREUQCSA-N 0 0 182.311 2.559 10 30 AFEERN C=C(C)CNc1ccc(COC)cc1 300910533 572042792 /nfs/dbraw/zinc/04/27/92/572042792.db2.gz XSRZLXVHXWASAK-UHFFFAOYSA-N 0 0 191.274 2.821 10 30 AFEERN C=CCCCCC[C@H](NN)[C@@H]1C[C@@H]1C 235603400 572042946 /nfs/dbraw/zinc/04/29/46/572042946.db2.gz UHUXLECHWXEYHR-TUAOUCFPSA-N 0 0 196.338 2.611 10 30 AFEERN C#CCCC[C@@H](O)CCC(C)(C)C 300909996 572043299 /nfs/dbraw/zinc/04/32/99/572043299.db2.gz RWAKVHHPOPJUOU-LLVKDONJSA-N 0 0 182.307 2.977 10 30 AFEERN CC(C)C[C@H](C)[C@H](C#N)NC(C)C 300910253 572043325 /nfs/dbraw/zinc/04/33/25/572043325.db2.gz LTQQFFZYYIELBH-QWRGUYRKSA-N 0 0 182.311 2.559 10 30 AFEERN C#CCCC(=O)[C@H](C)c1ccccc1 235063454 572043548 /nfs/dbraw/zinc/04/35/48/572043548.db2.gz FMWQCECIAQOLMM-LLVKDONJSA-N 0 0 186.254 2.773 10 30 AFEERN N#Cc1csc2c1CCCCC2 33911184 572045038 /nfs/dbraw/zinc/04/50/38/572045038.db2.gz RNFOWSMMTDZSPZ-UHFFFAOYSA-N 0 0 177.272 2.889 10 30 AFEERN CC(C)C[C@@H](C)[C@H](O)C1(C#N)CCC1 300915952 572044693 /nfs/dbraw/zinc/04/46/93/572044693.db2.gz MJFSNPTWIGUVRL-MNOVXSKESA-N 0 0 195.306 2.723 10 30 AFEERN C=CCCC[C@@H](O)c1cnc(C)s1 235839889 572043992 /nfs/dbraw/zinc/04/39/92/572043992.db2.gz JRKYNTHYFGEFQE-SECBINFHSA-N 0 0 197.303 2.841 10 30 AFEERN C[C@@H]1CC=C(C(C)(C)C)C(=O)C1 33952649 572044178 /nfs/dbraw/zinc/04/41/78/572044178.db2.gz VCQIGEOZSGEUBU-MRVPVSSYSA-N 0 0 166.264 2.958 10 30 AFEERN CCOc1ccc(CCC#N)cc1F 82530681 572044221 /nfs/dbraw/zinc/04/42/21/572044221.db2.gz FPBLSSZEBBEYAA-UHFFFAOYSA-N 0 0 193.221 2.681 10 30 AFEERN C=CC[C@H](O)[C@H]1CC(C)=C[C@H](C)C1 300011812 572044310 /nfs/dbraw/zinc/04/43/10/572044310.db2.gz LIUDGXOJTJBGRT-WCQGTBRESA-N 0 0 180.291 2.916 10 30 AFEERN C=CCCC[C@H](O)c1cnc(C)s1 235838547 572044416 /nfs/dbraw/zinc/04/44/16/572044416.db2.gz JRKYNTHYFGEFQE-VIFPVBQESA-N 0 0 197.303 2.841 10 30 AFEERN CC(C)C[C@H](C)[C@H](O)C1(C#N)CCC1 300915954 572044721 /nfs/dbraw/zinc/04/47/21/572044721.db2.gz MJFSNPTWIGUVRL-QWRGUYRKSA-N 0 0 195.306 2.723 10 30 AFEERN CCC(C)N=Nc1ccccc1 33921715 572044740 /nfs/dbraw/zinc/04/47/40/572044740.db2.gz BPAJPMUNAALLEK-LUAWRHEFSA-N 0 0 162.236 2.884 10 30 AFEERN CO[C@@H](CCC=O)c1ccccc1C 114293143 572044949 /nfs/dbraw/zinc/04/49/49/572044949.db2.gz GEKDZYDJWYTAAZ-LBPRGKRZSA-N 0 0 192.258 2.662 10 30 AFEERN CC1(C)CCC=C(CC=O)C1 33951044 572045421 /nfs/dbraw/zinc/04/54/21/572045421.db2.gz WHHNLCPUSNYEJH-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C1=C[C@@H]2[C@H](C1)C(=O)C2(C)C 196447636 572045952 /nfs/dbraw/zinc/04/59/52/572045952.db2.gz XGYRTZZBAOESHO-VHSXEESVSA-N 0 0 176.259 2.734 10 30 AFEERN C[C@H]1CC=C(C(C)(C)C)C(=O)C1 33952650 572046073 /nfs/dbraw/zinc/04/60/73/572046073.db2.gz VCQIGEOZSGEUBU-QMMMGPOBSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)C[C@H](C)[C@@H](O)C1(C#N)CCC1 300915956 572046143 /nfs/dbraw/zinc/04/61/43/572046143.db2.gz MJFSNPTWIGUVRL-WDEREUQCSA-N 0 0 195.306 2.723 10 30 AFEERN C=C(C)C1=C[C@H]2[C@@H](C1)C(=O)C2(C)C 196447625 572046769 /nfs/dbraw/zinc/04/67/69/572046769.db2.gz XGYRTZZBAOESHO-ZJUUUORDSA-N 0 0 176.259 2.734 10 30 AFEERN CCO/C=C(/C)C(=O)c1cccs1 82556799 572047103 /nfs/dbraw/zinc/04/71/03/572047103.db2.gz GOUJWULBZQJPNU-FPLPWBNLSA-N 0 0 196.271 2.871 10 30 AFEERN CC1(C)CCC(C)(C)C1C=O 33961439 572047980 /nfs/dbraw/zinc/04/79/80/572047980.db2.gz JBZQZFUBLJOFAE-UHFFFAOYSA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)C[C@@H](C)CN(CC#N)C(C)C 300919013 572048651 /nfs/dbraw/zinc/04/86/51/572048651.db2.gz MRNPQYYJDKDICR-GFCCVEGCSA-N 0 0 196.338 2.903 10 30 AFEERN CCC[C@H](OC)C(=O)C1=CCCCC1 233358932 572048744 /nfs/dbraw/zinc/04/87/44/572048744.db2.gz GZCFMYVWACESNZ-NSHDSACASA-N 0 0 196.290 2.871 10 30 AFEERN C=C(C/C=C\CCO)CCCC#N 218303694 572048885 /nfs/dbraw/zinc/04/88/85/572048885.db2.gz YKGKIIAPDKSRPM-IHWYPQMZSA-N 0 0 179.263 2.565 10 30 AFEERN CC1=C(C)[C@H](C(C)C)CC1=O 34070708 572049387 /nfs/dbraw/zinc/04/93/87/572049387.db2.gz OSFBPUCJKKZBQF-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN O=C[C@H]1CCC[C@@]12CCCCC(=O)C2 34061253 572049611 /nfs/dbraw/zinc/04/96/11/572049611.db2.gz VWMQIUDHKLQUEW-ZYHUDNBSSA-N 0 0 194.274 2.505 10 30 AFEERN CC1=C(C)[C@@H](C(C)C)CC1=O 34070707 572050116 /nfs/dbraw/zinc/05/01/16/572050116.db2.gz OSFBPUCJKKZBQF-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C(=O)CC[C@@H]1c1ccccc1 34060741 572050495 /nfs/dbraw/zinc/05/04/95/572050495.db2.gz IOJJHGWUCUNJQH-NSHDSACASA-N 0 0 172.227 2.689 10 30 AFEERN CC/N=C(\C)C(C)(C)CCl 34060585 572050508 /nfs/dbraw/zinc/05/05/08/572050508.db2.gz ZDBKAQWDQSKWMH-JXMROGBWSA-N 0 0 161.676 2.732 10 30 AFEERN C=CCCCCC[C@@H](O)CSC 235075066 572051037 /nfs/dbraw/zinc/05/10/37/572051037.db2.gz HUAFZQKKRBHCPD-SNVBAGLBSA-N 0 0 188.336 2.847 10 30 AFEERN C=C(C)[C@H](O)[C@H]1CC(C)=C[C@H](C)C1 300013067 572051220 /nfs/dbraw/zinc/05/12/20/572051220.db2.gz WBGZNJRWNRWPKX-WCQGTBRESA-N 0 0 180.291 2.916 10 30 AFEERN Cc1cc(C(C)(C)CC=O)ccc1O 34027503 572051243 /nfs/dbraw/zinc/05/12/43/572051243.db2.gz BRKDQOGSJWNVDP-UHFFFAOYSA-N 0 0 192.258 2.567 10 30 AFEERN C#C[C@@H](O)/C=C\CCCCCC=C 218772662 572051299 /nfs/dbraw/zinc/05/12/99/572051299.db2.gz FDGMEQKMAHDMJX-NLYDNYMLSA-N 0 0 178.275 2.673 10 30 AFEERN CC[C@@H]1C[C@H]1Nc1ccccc1C#N 233915541 572051508 /nfs/dbraw/zinc/05/15/08/572051508.db2.gz ISMRHHMNWATOPT-BXKDBHETSA-N 0 0 186.258 2.769 10 30 AFEERN C=CCCCCCC(=O)[C@@H](O)CCC 233369262 572051513 /nfs/dbraw/zinc/05/15/13/572051513.db2.gz CNODQULBGJRIRL-NSHDSACASA-N 0 0 198.306 2.853 10 30 AFEERN C[C@]12CC=CC(=O)[C@@H]1CCCC2 34075693 572052430 /nfs/dbraw/zinc/05/24/30/572052430.db2.gz RUVQGWALIMHIHZ-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CCOc1ccc(C#N)c2cccnc12 71453960 572052766 /nfs/dbraw/zinc/05/27/66/572052766.db2.gz YLCWGFIBTBJMIY-UHFFFAOYSA-N 0 0 198.225 2.505 10 30 AFEERN CCCC[C@@](C)(C=O)CC 34080133 572052852 /nfs/dbraw/zinc/05/28/52/572052852.db2.gz JRKNKOILFVFGDB-VIFPVBQESA-N 0 0 142.242 2.792 10 30 AFEERN C[C@@]12CC=CC(=O)[C@@H]1CCCC2 34075694 572052897 /nfs/dbraw/zinc/05/28/97/572052897.db2.gz RUVQGWALIMHIHZ-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cccc(N[C@@H](C)CC#N)c1C#N 235077239 572053258 /nfs/dbraw/zinc/05/32/58/572053258.db2.gz LQEJGLKFNXTYPD-JTQLQIEISA-N 0 0 199.257 2.581 10 30 AFEERN CCCC[C@](C)(C=O)CC 34080132 572053266 /nfs/dbraw/zinc/05/32/66/572053266.db2.gz JRKNKOILFVFGDB-SECBINFHSA-N 0 0 142.242 2.792 10 30 AFEERN C=CCOc1ccc(N)c2ccccc12 82538875 572053270 /nfs/dbraw/zinc/05/32/70/572053270.db2.gz FERPSYWTMALGRW-UHFFFAOYSA-N 0 0 199.253 2.987 10 30 AFEERN C[C@]12CC=CC(=O)[C@H]1CCCC2 34075691 572053452 /nfs/dbraw/zinc/05/34/52/572053452.db2.gz RUVQGWALIMHIHZ-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1c(CC#N)oc2ccccc12 71452998 572053530 /nfs/dbraw/zinc/05/35/30/572053530.db2.gz CCOJPCVFYJKRLA-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN C/C=C1\CCCC(C)(C)C1=O 34075551 572053615 /nfs/dbraw/zinc/05/36/15/572053615.db2.gz DXUWWQKCQPCKDH-XBXARRHUSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@@]12CC=CC(=O)[C@H]1CCCC2 34075692 572053772 /nfs/dbraw/zinc/05/37/72/572053772.db2.gz RUVQGWALIMHIHZ-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN O=C1C=CC2(C=C1)CCC=CCC2 34087081 572053856 /nfs/dbraw/zinc/05/38/56/572053856.db2.gz FVIDXDTYCZKCAH-UHFFFAOYSA-N 0 0 174.243 2.798 10 30 AFEERN CCCCCC(C)(C)C=O 34099786 572054059 /nfs/dbraw/zinc/05/40/59/572054059.db2.gz DAWZWARVCYSZMZ-UHFFFAOYSA-N 0 0 142.242 2.792 10 30 AFEERN CC1=C2C=CC(=O)[C@]2(C)CCC1 34115418 572054280 /nfs/dbraw/zinc/05/42/80/572054280.db2.gz RPBBBAJJAASNCT-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C=C[C@H](C)ONC1CC(C(C)C)C1 400898040 572054363 /nfs/dbraw/zinc/05/43/63/572054363.db2.gz PJHHHYIAVYDLHG-WHXUTIOJSA-N 0 0 183.295 2.517 10 30 AFEERN Cc1c(C#N)oc2ccc(F)cc12 48218995 572054758 /nfs/dbraw/zinc/05/47/58/572054758.db2.gz YQBIFENJWLWGPK-UHFFFAOYSA-N 0 0 175.162 2.752 10 30 AFEERN C=C1C[C@@H](C)C[C@H](CC(C)=O)C1 196452383 572054576 /nfs/dbraw/zinc/05/45/76/572054576.db2.gz RHJIYTLDJJAYII-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C1=C[C@@H]2[C@@H](C1)C(=O)C2(C)C 196447618 572055246 /nfs/dbraw/zinc/05/52/46/572055246.db2.gz XGYRTZZBAOESHO-NXEZZACHSA-N 0 0 176.259 2.734 10 30 AFEERN CCC1=C[C@H]2CCCC[C@H]2C1=O 34100040 572055310 /nfs/dbraw/zinc/05/53/10/572055310.db2.gz QLLYAOOXSXSKQM-NXEZZACHSA-N 0 0 164.248 2.712 10 30 AFEERN CCC1=C[C@@H]2CCCC[C@H]2C1=O 34100041 572055342 /nfs/dbraw/zinc/05/53/42/572055342.db2.gz QLLYAOOXSXSKQM-VHSXEESVSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C2C=CC(=O)[C@@]2(C)CCC1 34115419 572055794 /nfs/dbraw/zinc/05/57/94/572055794.db2.gz RPBBBAJJAASNCT-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN N#CC[C@H](F)c1ccccc1 34108210 572055844 /nfs/dbraw/zinc/05/58/44/572055844.db2.gz HKCKOCROIBBUHG-VIFPVBQESA-N 0 0 149.168 2.611 10 30 AFEERN Cc1ccc2snc(CC#N)c2c1 34091446 572056026 /nfs/dbraw/zinc/05/60/26/572056026.db2.gz PEHNASPIHCMHAY-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN C=C1CSCC(=C)CSC1 34111600 572056030 /nfs/dbraw/zinc/05/60/30/572056030.db2.gz LBHXTCFPXWDOLO-UHFFFAOYSA-N 0 0 172.318 2.579 10 30 AFEERN C=C(C)C1=C[C@H]2[C@H](C1)C(=O)C2(C)C 196447641 572056181 /nfs/dbraw/zinc/05/61/81/572056181.db2.gz XGYRTZZBAOESHO-UWVGGRQHSA-N 0 0 176.259 2.734 10 30 AFEERN C=CCC[C@@](C)(O)CCCCOC 686324460 572056373 /nfs/dbraw/zinc/05/63/73/572056373.db2.gz IDFGMGMKPFXNAQ-LLVKDONJSA-N 0 0 186.295 2.520 10 30 AFEERN C=C1C[C@@H](CC(C)=O)C[C@@H](C)C1 196452369 572056665 /nfs/dbraw/zinc/05/66/65/572056665.db2.gz RHJIYTLDJJAYII-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN CC1(C)[C@H]2CC[C@H](CC=O)[C@@H]1C2 34119824 572057227 /nfs/dbraw/zinc/05/72/27/572057227.db2.gz AVQRHKZLVPSHIE-UTLUCORTSA-N 0 0 166.264 2.648 10 30 AFEERN CC(C)(C=O)C1C=CCCC=C1 34139917 572057598 /nfs/dbraw/zinc/05/75/98/572057598.db2.gz DGBHJHGIFYLVDP-UHFFFAOYSA-N 0 0 164.248 2.734 10 30 AFEERN O=C1CCCC2=C1[C@@H]1CCCC[C@H]21 34115633 572057613 /nfs/dbraw/zinc/05/76/13/572057613.db2.gz XBSHMZGTAFDGSM-DTWKUNHWSA-N 0 0 176.259 2.856 10 30 AFEERN O=C1CCCC2=C1[C@@H]1CCCC[C@@H]21 34115631 572057628 /nfs/dbraw/zinc/05/76/28/572057628.db2.gz XBSHMZGTAFDGSM-RKDXNWHRSA-N 0 0 176.259 2.856 10 30 AFEERN CC[C@H](CC#N)n1cnc2ccccc21 36677512 572057662 /nfs/dbraw/zinc/05/76/62/572057662.db2.gz YGDAHNHDMVKEMJ-SNVBAGLBSA-N 0 0 199.257 2.901 10 30 AFEERN CCOc1ccc(C#N)c(CC)c1 71463339 572057781 /nfs/dbraw/zinc/05/77/81/572057781.db2.gz UTSNTZHDJMVUCR-UHFFFAOYSA-N 0 0 175.231 2.519 10 30 AFEERN CC[C@@H](CC#N)n1ccnc1C(C)C 36677533 572057864 /nfs/dbraw/zinc/05/78/64/572057864.db2.gz GFWHAJKYHVIVJE-JTQLQIEISA-N 0 0 191.278 2.871 10 30 AFEERN CCc1ccccc1OCCC#N 36667501 572058332 /nfs/dbraw/zinc/05/83/32/572058332.db2.gz ZFBXXQGKHBDZTH-UHFFFAOYSA-N 0 0 175.231 2.541 10 30 AFEERN O=C1CCCC2=C1[C@H]1CCCC[C@H]21 34115632 572058375 /nfs/dbraw/zinc/05/83/75/572058375.db2.gz XBSHMZGTAFDGSM-IUCAKERBSA-N 0 0 176.259 2.856 10 30 AFEERN CC1=CC[C@H](CC(C)C)C1=O 196450137 572058390 /nfs/dbraw/zinc/05/83/90/572058390.db2.gz RLTFGMFNLUMFTL-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1nc2ccccc2n1C[C@H](C)C#N 36667733 572058889 /nfs/dbraw/zinc/05/88/89/572058889.db2.gz HAOUCUDFZIYTQE-SECBINFHSA-N 0 0 199.257 2.504 10 30 AFEERN CC[C@H](CC#N)n1ccnc1C(C)C 36677534 572059016 /nfs/dbraw/zinc/05/90/16/572059016.db2.gz GFWHAJKYHVIVJE-SNVBAGLBSA-N 0 0 191.278 2.871 10 30 AFEERN C#Cc1cccc(N[C@@H](CC)CC#N)c1 36678223 572059023 /nfs/dbraw/zinc/05/90/23/572059023.db2.gz RRZQKCLWCHDNCK-LBPRGKRZSA-N 0 0 198.269 2.772 10 30 AFEERN C[C@@H](CCC=O)OCc1ccccc1 196454055 572059074 /nfs/dbraw/zinc/05/90/74/572059074.db2.gz NZQZEYKPLUFQLF-NSHDSACASA-N 0 0 192.258 2.571 10 30 AFEERN C=CCCC(=O)[C@H](C)CC=C 196042047 572059089 /nfs/dbraw/zinc/05/90/89/572059089.db2.gz WPZNYHGLSFCASC-SECBINFHSA-N 0 0 152.237 2.734 10 30 AFEERN C=C(C)C1=C(C)[C@@H](O)C(C)(C)C1 196041182 572059129 /nfs/dbraw/zinc/05/91/29/572059129.db2.gz JPPAWXGBXRBPFZ-SNVBAGLBSA-N 0 0 166.264 2.670 10 30 AFEERN CC1=C(C)C(C)(C=O)C(C)=C1C 34164968 572059143 /nfs/dbraw/zinc/05/91/43/572059143.db2.gz CXRYQGVKQQCWOV-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN C[C@H](C#N)CSCc1ccco1 36669072 572059267 /nfs/dbraw/zinc/05/92/67/572059267.db2.gz MVGNWZZDVNVLMB-MRVPVSSYSA-N 0 0 181.260 2.672 10 30 AFEERN C[C@@H](C#N)CSCc1ccco1 36669074 572059600 /nfs/dbraw/zinc/05/96/00/572059600.db2.gz MVGNWZZDVNVLMB-QMMMGPOBSA-N 0 0 181.260 2.672 10 30 AFEERN CCc1ccccc1OCCCC#N 36667503 572059696 /nfs/dbraw/zinc/05/96/96/572059696.db2.gz ZGSLMPQZOJFAKQ-UHFFFAOYSA-N 0 0 189.258 2.932 10 30 AFEERN N#Cc1cc(F)c(F)c(Cl)c1F 34154690 572059659 /nfs/dbraw/zinc/05/96/59/572059659.db2.gz BRANJOPEMMWETD-UHFFFAOYSA-N 0 0 191.539 2.629 10 30 AFEERN C#Cc1cccc(N[C@H](CC)CC#N)c1 36678224 572059704 /nfs/dbraw/zinc/05/97/04/572059704.db2.gz RRZQKCLWCHDNCK-GFCCVEGCSA-N 0 0 198.269 2.772 10 30 AFEERN CC1=CC(C)(C)[C@@H](CC=O)C1 34164267 572059793 /nfs/dbraw/zinc/05/97/93/572059793.db2.gz DHLICSPYERWBQX-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CCCOc1ccc(C#N)c(CC)c1 71463394 572059925 /nfs/dbraw/zinc/05/99/25/572059925.db2.gz YWNGVJDVJOSOHY-UHFFFAOYSA-N 0 0 189.258 2.909 10 30 AFEERN CC[C@@H](CC#N)n1cnc2ccccc21 36677511 572059883 /nfs/dbraw/zinc/05/98/83/572059883.db2.gz YGDAHNHDMVKEMJ-JTQLQIEISA-N 0 0 199.257 2.901 10 30 AFEERN CCCC1=C(CCC)C(=O)C1 34165328 572059929 /nfs/dbraw/zinc/05/99/29/572059929.db2.gz GWGCKTZGDHRKBW-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN Cc1nc2ccccc2n1C[C@@H](C)C#N 36667732 572060012 /nfs/dbraw/zinc/06/00/12/572060012.db2.gz HAOUCUDFZIYTQE-VIFPVBQESA-N 0 0 199.257 2.504 10 30 AFEERN CC1=C(CC#N)Cc2ccccc21 34161394 572060591 /nfs/dbraw/zinc/06/05/91/572060591.db2.gz NLJRUMRTUKUILX-UHFFFAOYSA-N 0 0 169.227 2.930 10 30 AFEERN CC1=CC(C)(C)[C@H](CC=O)C1 34164266 572060820 /nfs/dbraw/zinc/06/08/20/572060820.db2.gz DHLICSPYERWBQX-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CC[C@@H](CC(C)C)C1=O 196450147 572060961 /nfs/dbraw/zinc/06/09/61/572060961.db2.gz RLTFGMFNLUMFTL-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN O=C[C@@H]1CC[C@]23CCCCC[C@]12C3 196440693 572061055 /nfs/dbraw/zinc/06/10/55/572061055.db2.gz YRKVSNPULMITRX-SRVKXCTJSA-N 0 0 178.275 2.936 10 30 AFEERN SCc1ccc(Cl)nc1Cl 196443121 572061072 /nfs/dbraw/zinc/06/10/72/572061072.db2.gz AMOVLHJERRUIGL-UHFFFAOYSA-N 0 0 194.086 2.818 10 30 AFEERN CCC[C@H]1CCC(=O)C=C1C 34179374 572061296 /nfs/dbraw/zinc/06/12/96/572061296.db2.gz FYDPBXHMDUUMCZ-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CC1(C)CC[C@]2(C)C=CC(=O)[C@@H]12 196451485 572061298 /nfs/dbraw/zinc/06/12/98/572061298.db2.gz JYRXNPYRKFPVJY-ONGXEEELSA-N 0 0 164.248 2.568 10 30 AFEERN CC[C@@H](CC#N)Sc1ccccn1 36679417 572061391 /nfs/dbraw/zinc/06/13/91/572061391.db2.gz RHVRENFGOWXRLT-VIFPVBQESA-N 0 0 192.287 2.866 10 30 AFEERN CC1=CC(C)(C)C(=O)C(C)=C1C 196443794 572061399 /nfs/dbraw/zinc/06/13/99/572061399.db2.gz QHHQGYVCRQQQPD-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN Cc1ccc2c(N=[N+]=[N-])ccnc2n1 196444823 572061721 /nfs/dbraw/zinc/06/17/21/572061721.db2.gz XUJVWOOOMCUPPZ-UHFFFAOYSA-N 0 0 185.190 2.880 10 30 AFEERN C=C(C)C[C@H]1CCCC=C1CO 196059410 572061841 /nfs/dbraw/zinc/06/18/41/572061841.db2.gz VQSUHYLCUMIDGE-SNVBAGLBSA-N 0 0 166.264 2.671 10 30 AFEERN CCC[C@@H]1CCC(=O)C=C1C 34179373 572061862 /nfs/dbraw/zinc/06/18/62/572061862.db2.gz FYDPBXHMDUUMCZ-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@@]12CCCC=C1C(=O)CCC2 34179502 572062157 /nfs/dbraw/zinc/06/21/57/572062157.db2.gz DMVOCXFFCHHZQQ-NSHDSACASA-N 0 0 164.248 2.856 10 30 AFEERN CCC1=CCCC(C)(C)C1=O 34175517 572062228 /nfs/dbraw/zinc/06/22/28/572062228.db2.gz GKTNJTLAHGRLNK-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@H](CC#N)Nc1ccc(C#N)cc1 36679764 572062266 /nfs/dbraw/zinc/06/22/66/572062266.db2.gz KLWSAMTUDNLLCQ-LLVKDONJSA-N 0 0 199.257 2.662 10 30 AFEERN CC[C@@H](CC#N)Nc1cccc(C#N)c1 36679669 572062331 /nfs/dbraw/zinc/06/23/31/572062331.db2.gz USLYCCMOPYKZQC-NSHDSACASA-N 0 0 199.257 2.662 10 30 AFEERN C=CC1=CC[C@H](CC=O)C1(C)C 34179501 572062796 /nfs/dbraw/zinc/06/27/96/572062796.db2.gz IIXHWHFGHUFMCO-SNVBAGLBSA-N 0 0 164.248 2.734 10 30 AFEERN CC1(C)CC[C@@]2(C)C=CC(=O)[C@H]12 196451467 572062857 /nfs/dbraw/zinc/06/28/57/572062857.db2.gz JYRXNPYRKFPVJY-MWLCHTKSSA-N 0 0 164.248 2.568 10 30 AFEERN CC(=O)/C=C/c1ccc2ncccc2c1 34192651 572063012 /nfs/dbraw/zinc/06/30/12/572063012.db2.gz GMEDQTLBRSEUAM-SNAWJCMRSA-N 0 0 197.237 2.837 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@@H](C=O)[C@H]12 34179753 572062999 /nfs/dbraw/zinc/06/29/99/572062999.db2.gz VHKBQEGOSCKASW-SDDRHHMPSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@]12CCCC=C1C(=O)CCC2 34179503 572063069 /nfs/dbraw/zinc/06/30/69/572063069.db2.gz DMVOCXFFCHHZQQ-LLVKDONJSA-N 0 0 164.248 2.856 10 30 AFEERN C=C(C)C[C@@H]1CCCC=C1CO 196059402 572063501 /nfs/dbraw/zinc/06/35/01/572063501.db2.gz VQSUHYLCUMIDGE-JTQLQIEISA-N 0 0 166.264 2.671 10 30 AFEERN C=C[C@H]1CCCCCC(=O)C1 196056675 572063512 /nfs/dbraw/zinc/06/35/12/572063512.db2.gz GZMLGQDIPWFOAW-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C/C(=C\CO)CCC#C[Si](C)(C)C 196058654 572063550 /nfs/dbraw/zinc/06/35/50/572063550.db2.gz PNJMCTXAYZSMDG-DHZHZOJOSA-N 0 0 196.366 2.586 10 30 AFEERN CC[C@@H](CC#N)Nc1ccc(C#N)cc1 36679763 572063661 /nfs/dbraw/zinc/06/36/61/572063661.db2.gz KLWSAMTUDNLLCQ-NSHDSACASA-N 0 0 199.257 2.662 10 30 AFEERN C=CCc1ccc(F)cc1C(C)=O 221320322 572064915 /nfs/dbraw/zinc/06/49/15/572064915.db2.gz UKXOQRHSPDOUGD-UHFFFAOYSA-N 0 0 178.206 2.757 10 30 AFEERN CC(C)CCC[C@H](C)C=O 34235880 572064021 /nfs/dbraw/zinc/06/40/21/572064021.db2.gz ACNJJWGXZLMAAX-VIFPVBQESA-N 0 0 142.242 2.648 10 30 AFEERN C=C[C@H](C)C1=CC(=O)C(C)(C)C1 34215661 572064852 /nfs/dbraw/zinc/06/48/52/572064852.db2.gz FEKXJJOHPXUMOD-QMMMGPOBSA-N 0 0 164.248 2.734 10 30 AFEERN C=C(CO)c1ccc(CC(C)C)cc1 205263738 572064882 /nfs/dbraw/zinc/06/48/82/572064882.db2.gz BKSVRGBAOUWCOK-UHFFFAOYSA-N 0 0 190.286 2.891 10 30 AFEERN CC(C)=CC(=O)C=CC(C)C 34236027 572065221 /nfs/dbraw/zinc/06/52/21/572065221.db2.gz SDBRKQCJQPQFRP-UHFFFAOYSA-N 0 0 152.237 2.878 10 30 AFEERN C=C[C@@H](C)C1=CC(=O)C(C)(C)C1 34215662 572065507 /nfs/dbraw/zinc/06/55/07/572065507.db2.gz FEKXJJOHPXUMOD-MRVPVSSYSA-N 0 0 164.248 2.734 10 30 AFEERN CC(C)(C)Oc1ccc(/C=N/O)cc1 34201699 572065544 /nfs/dbraw/zinc/06/55/44/572065544.db2.gz WXEPGFZXDXKPSV-XYOKQWHBSA-N 0 0 193.246 2.672 10 30 AFEERN CC1=CC(=O)C23CCCC12CCC3 34213670 572065572 /nfs/dbraw/zinc/06/55/72/572065572.db2.gz XAHCESDUEQVAMV-UHFFFAOYSA-N 0 0 176.259 2.856 10 30 AFEERN CC[C@@H](C)CCCCC=O 34266242 572066805 /nfs/dbraw/zinc/06/68/05/572066805.db2.gz ANZKSSJWPUCGOP-SECBINFHSA-N 0 0 142.242 2.792 10 30 AFEERN CC1=Cc2cc(C)ccc2C1=O 34265411 572067456 /nfs/dbraw/zinc/06/74/56/572067456.db2.gz RMMKKWNJYNMDAS-UHFFFAOYSA-N 0 0 158.200 2.595 10 30 AFEERN C=C(C)CON[C@H]1CCC[C@H]1CC 400902524 572068114 /nfs/dbraw/zinc/06/81/14/572068114.db2.gz SKKFNZLUWRKQBL-MNOVXSKESA-N 0 0 183.295 2.662 10 30 AFEERN CC(C)C[C@@H](C#N)C(C)C 78423175 572068429 /nfs/dbraw/zinc/06/84/29/572068429.db2.gz FNNABWZCWVUGMQ-VIFPVBQESA-N 0 0 139.242 2.828 10 30 AFEERN C=CC[C@@]1(C)CC(C)(C)CC1=O 196459521 572068592 /nfs/dbraw/zinc/06/85/92/572068592.db2.gz BXBSHBRBROVFRH-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN CCCN[C@@H](C#N)[C@H](C)CC(C)C 300925683 572068683 /nfs/dbraw/zinc/06/86/83/572068683.db2.gz NHFSFYXJMUHUOB-MNOVXSKESA-N 0 0 182.311 2.560 10 30 AFEERN C=CC[C@]1(C)CC(C)(C)CC1=O 196459526 572068936 /nfs/dbraw/zinc/06/89/36/572068936.db2.gz BXBSHBRBROVFRH-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CCCN[C@H](C#N)[C@H](C)CC(C)C 300925681 572070450 /nfs/dbraw/zinc/07/04/50/572070450.db2.gz NHFSFYXJMUHUOB-GHMZBOCLSA-N 0 0 182.311 2.560 10 30 AFEERN CC[C@@H]1CCCC[C@H]1N(CC)CC#N 82657764 572070905 /nfs/dbraw/zinc/07/09/05/572070905.db2.gz MMPLQXMQWDKGII-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN CC1(C)CC(=O)C=C(N=[N+]=[N-])C1 34317252 572071028 /nfs/dbraw/zinc/07/10/28/572071028.db2.gz JNQCMPXVMJDKSR-UHFFFAOYSA-N 0 0 165.196 2.570 10 30 AFEERN C=CCC1=C(N=[N+]=[N-])CCCC1=O 34326948 572071217 /nfs/dbraw/zinc/07/12/17/572071217.db2.gz DKTRYVGIIXBBSP-UHFFFAOYSA-N 0 0 177.207 2.880 10 30 AFEERN CC[C@H]1CCCC[C@@H]1N(CC)CC#N 82657763 572071416 /nfs/dbraw/zinc/07/14/16/572071416.db2.gz MMPLQXMQWDKGII-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN CC/C=C/CC[C@@H](C)C=O 34300421 572071734 /nfs/dbraw/zinc/07/17/34/572071734.db2.gz GQQOUCMKIUZZDC-XNPJLODASA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@H]1CCCC[C@H]1N(CC)CC#N 82657765 572072214 /nfs/dbraw/zinc/07/22/14/572072214.db2.gz MMPLQXMQWDKGII-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN Cc1ccc(C(=O)C2=CCCC2)cn1 235853734 572072374 /nfs/dbraw/zinc/07/23/74/572072374.db2.gz ACRIUDXQOCAECB-UHFFFAOYSA-N 0 0 187.242 2.683 10 30 AFEERN CC[C@H]1CCCC[C@@H]1N(C)[C@@H](C)C#N 82657767 572072382 /nfs/dbraw/zinc/07/23/82/572072382.db2.gz XEOBGIQHLSGTKM-SRVKXCTJSA-N 0 0 194.322 2.799 10 30 AFEERN CC(C)C[C@H]1C=CC(=O)CC1 34316285 572072480 /nfs/dbraw/zinc/07/24/80/572072480.db2.gz ZGIBMCONUPTGTA-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1N(CC)CC#N 82657762 572072649 /nfs/dbraw/zinc/07/26/49/572072649.db2.gz MMPLQXMQWDKGII-NEPJUHHUSA-N 0 0 194.322 2.801 10 30 AFEERN CC/C=C/C(=O)[C@@H](C)CC 34295993 572072701 /nfs/dbraw/zinc/07/27/01/572072701.db2.gz KWNLSBUKMBCDOC-CZEYKFRCSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@H]1CCCC[C@H]1N(C)[C@@H](C)C#N 82657769 572072771 /nfs/dbraw/zinc/07/27/71/572072771.db2.gz XEOBGIQHLSGTKM-SDDRHHMPSA-N 0 0 194.322 2.799 10 30 AFEERN CCCCC(C)(C)CC=O 34327276 572072856 /nfs/dbraw/zinc/07/28/56/572072856.db2.gz SSHZZGWPPHHPGB-UHFFFAOYSA-N 0 0 142.242 2.792 10 30 AFEERN CC/C=C/C(=O)[C@H](C)CC 34295995 572073202 /nfs/dbraw/zinc/07/32/02/572073202.db2.gz KWNLSBUKMBCDOC-HYDMIIDASA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@H]1CCC(=C)[C@]1(C)CC=O 34302647 572073223 /nfs/dbraw/zinc/07/32/23/572073223.db2.gz WDQUBNKVNJSOGC-QWRGUYRKSA-N 0 0 164.248 2.734 10 30 AFEERN C=CC[C@@H]1CC(C)(C)C=CC1=O 34339107 572073589 /nfs/dbraw/zinc/07/35/89/572073589.db2.gz QVJORKGQQADANM-SECBINFHSA-N 0 0 164.248 2.734 10 30 AFEERN CCCCCC#C/C=C\[C@@H](C)O 219482882 572073835 /nfs/dbraw/zinc/07/38/35/572073835.db2.gz VGFSKBBWGZQZFD-DWOQACPDSA-N 0 0 166.264 2.507 10 30 AFEERN Cc1nc(N=[N+]=[N-])c(C)nc1Cl 34333637 572073932 /nfs/dbraw/zinc/07/39/32/572073932.db2.gz KIVUQWIJYKIPJQ-UHFFFAOYSA-N 0 0 183.602 2.689 10 30 AFEERN C=CC[C@H]1CC(C)(C)C=CC1=O 34339105 572074055 /nfs/dbraw/zinc/07/40/55/572074055.db2.gz QVJORKGQQADANM-VIFPVBQESA-N 0 0 164.248 2.734 10 30 AFEERN [N-]=[N+]=Nc1ccc2nccnc2c1 34338655 572074415 /nfs/dbraw/zinc/07/44/15/572074415.db2.gz OAPQCKMRAMPKHH-UHFFFAOYSA-N 0 0 171.163 2.572 10 30 AFEERN CC(=O)c1cc(Cl)cc(C#N)c1F 34330931 572074456 /nfs/dbraw/zinc/07/44/56/572074456.db2.gz ABZLMGUIOQKLCP-UHFFFAOYSA-N 0 0 197.596 2.553 10 30 AFEERN [N-]=[N+]=Nc1ccc2ncncc2c1 34338638 572075200 /nfs/dbraw/zinc/07/52/00/572075200.db2.gz XATHNZJGZDPUFJ-UHFFFAOYSA-N 0 0 171.163 2.572 10 30 AFEERN CC1=C[C@@H](C(C)(C)C)CCC1=O 34349360 572075301 /nfs/dbraw/zinc/07/53/01/572075301.db2.gz KNCMEQAIIDZMRJ-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C#CCSc1nccc2ccccc12 401712807 572075517 /nfs/dbraw/zinc/07/55/17/572075517.db2.gz IVQQOULAGGNATH-UHFFFAOYSA-N 0 0 199.278 2.960 10 30 AFEERN CC(C)C=C1C(=O)CC(C)(C)CC1=O 34336065 572075686 /nfs/dbraw/zinc/07/56/86/572075686.db2.gz IKODEVKSOKIFFZ-UHFFFAOYSA-N 0 0 194.274 2.527 10 30 AFEERN N#Cc1cccc(OCc2ccco2)c1 36896476 572075707 /nfs/dbraw/zinc/07/57/07/572075707.db2.gz JWIUTUWCSOJUFH-UHFFFAOYSA-N 0 0 199.209 2.730 10 30 AFEERN CC[C@](C)(C#N)c1ccc(OC)cc1 34380879 572076078 /nfs/dbraw/zinc/07/60/78/572076078.db2.gz MVDOAQGATUPULV-GFCCVEGCSA-N 0 0 189.258 2.886 10 30 AFEERN C[C@H](C#N)C(=O)C[C@@H](C)C(C)(C)C 82628351 572076127 /nfs/dbraw/zinc/07/61/27/572076127.db2.gz WVUAABJNVSRFTG-RKDXNWHRSA-N 0 0 181.279 2.787 10 30 AFEERN C[C@@H](C#N)C(=O)C[C@@H](C)C(C)(C)C 82628349 572076404 /nfs/dbraw/zinc/07/64/04/572076404.db2.gz WVUAABJNVSRFTG-DTWKUNHWSA-N 0 0 181.279 2.787 10 30 AFEERN N#CC[C@H]1CCc2ccccc2C1 34371898 572076548 /nfs/dbraw/zinc/07/65/48/572076548.db2.gz ITFVUCWTNYHVNY-SNVBAGLBSA-N 0 0 171.243 2.705 10 30 AFEERN CC1(C)C=CC[C@@]2(C)CC(=O)C=C12 34361164 572076582 /nfs/dbraw/zinc/07/65/82/572076582.db2.gz FHYKNIOQCKKSKA-LBPRGKRZSA-N 0 0 176.259 2.878 10 30 AFEERN CCC(CC)[C@@H](C)N[C@@H](C#N)CC 82632027 572076852 /nfs/dbraw/zinc/07/68/52/572076852.db2.gz JCBQANUWMMRXQJ-MWLCHTKSSA-N 0 0 182.311 2.703 10 30 AFEERN CCC(CC)[C@@H](C)N[C@H](C#N)CC 82632021 572076909 /nfs/dbraw/zinc/07/69/09/572076909.db2.gz JCBQANUWMMRXQJ-KOLCDFICSA-N 0 0 182.311 2.703 10 30 AFEERN CCc1occc1C(=O)[C@@H](C#N)CC 233973081 572077073 /nfs/dbraw/zinc/07/70/73/572077073.db2.gz NJSDRKNDLWRRHK-MRVPVSSYSA-N 0 0 191.230 2.574 10 30 AFEERN C[C@@H](CC(=O)[C@H](C)C#N)C(C)(C)C 82628350 572077383 /nfs/dbraw/zinc/07/73/83/572077383.db2.gz WVUAABJNVSRFTG-BDAKNGLRSA-N 0 0 181.279 2.787 10 30 AFEERN N#CC[C@@H]1CCc2ccccc2C1 34371900 572077435 /nfs/dbraw/zinc/07/74/35/572077435.db2.gz ITFVUCWTNYHVNY-JTQLQIEISA-N 0 0 171.243 2.705 10 30 AFEERN CCC(CC)[C@H](C)N[C@H](C#N)CC 82632024 572077473 /nfs/dbraw/zinc/07/74/73/572077473.db2.gz JCBQANUWMMRXQJ-ONGXEEELSA-N 0 0 182.311 2.703 10 30 AFEERN CC1(C)C=CC[C@]2(C)CC(=O)C=C12 34361165 572077547 /nfs/dbraw/zinc/07/75/47/572077547.db2.gz FHYKNIOQCKKSKA-GFCCVEGCSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H](C#N)C(=O)C[C@H](C)C(C)(C)C 82628348 572077824 /nfs/dbraw/zinc/07/78/24/572077824.db2.gz WVUAABJNVSRFTG-IUCAKERBSA-N 0 0 181.279 2.787 10 30 AFEERN CCC(CC)[C@H](C)N[C@@H](C#N)CC 82632031 572077962 /nfs/dbraw/zinc/07/79/62/572077962.db2.gz JCBQANUWMMRXQJ-GXSJLCMTSA-N 0 0 182.311 2.703 10 30 AFEERN CC(C)CC1(CC(C)C)CO1 34381697 572077995 /nfs/dbraw/zinc/07/79/95/572077995.db2.gz RVSSDHMAXSOLOK-UHFFFAOYSA-N 0 0 156.269 2.848 10 30 AFEERN CCCOCc1cc(C#N)ccc1F 37025442 572078146 /nfs/dbraw/zinc/07/81/46/572078146.db2.gz NQQDWWDTDHVGME-UHFFFAOYSA-N 0 0 193.221 2.624 10 30 AFEERN C[C@H]1CC[C@H]2[C@@H]1[C@H](C=O)C2(C)C 34413273 572078573 /nfs/dbraw/zinc/07/85/73/572078573.db2.gz FTKNIBWAFYHEGW-AATLWQCWSA-N 0 0 166.264 2.504 10 30 AFEERN C#CCOc1cccc2ccsc12 34414394 572078665 /nfs/dbraw/zinc/07/86/65/572078665.db2.gz XVQUZSVJWWKQHY-UHFFFAOYSA-N 0 0 188.251 2.913 10 30 AFEERN C=CCCSC(C)C 34406581 572078857 /nfs/dbraw/zinc/07/88/57/572078857.db2.gz GVMDDGTWUSVQMK-UHFFFAOYSA-N 0 0 130.256 2.704 10 30 AFEERN CC(C)(C)[C@@H]1CCC(=O)[C@H](CC=O)C1 34412881 572078881 /nfs/dbraw/zinc/07/88/81/572078881.db2.gz WMEJHUFZRIAJHM-NXEZZACHSA-N 0 0 196.290 2.607 10 30 AFEERN C=C=C(C)C(=O)[C@@H](C)C(C)C 34413875 572079005 /nfs/dbraw/zinc/07/90/05/572079005.db2.gz JBEGOYHZNLNXGN-VIFPVBQESA-N 0 0 152.237 2.579 10 30 AFEERN C=C=C(C)C(=O)[C@H](C)C(C)C 34413873 572079107 /nfs/dbraw/zinc/07/91/07/572079107.db2.gz JBEGOYHZNLNXGN-SECBINFHSA-N 0 0 152.237 2.579 10 30 AFEERN CC(C)(C)C(CS)CS 34414595 572079335 /nfs/dbraw/zinc/07/93/35/572079335.db2.gz SEFVRKJIMKCAGX-UHFFFAOYSA-N 0 0 164.339 2.508 10 30 AFEERN CCC(C)=CC(=O)C=C(C)C 34411383 572079466 /nfs/dbraw/zinc/07/94/66/572079466.db2.gz QVQGTHDGWUZXLG-WEVVVXLNSA-N 0 0 152.237 2.878 10 30 AFEERN CC(C)(C)[C@H]1CCC(=O)[C@@H](CC=O)C1 34412884 572079670 /nfs/dbraw/zinc/07/96/70/572079670.db2.gz WMEJHUFZRIAJHM-UWVGGRQHSA-N 0 0 196.290 2.607 10 30 AFEERN CC(C)(C)[C@@H]1CCC(=O)[C@@H](CC=O)C1 34412883 572079748 /nfs/dbraw/zinc/07/97/48/572079748.db2.gz WMEJHUFZRIAJHM-VHSXEESVSA-N 0 0 196.290 2.607 10 30 AFEERN CCCOCc1ccc(C#N)cc1F 37025444 572079887 /nfs/dbraw/zinc/07/98/87/572079887.db2.gz UVALCLUMTIIIGK-UHFFFAOYSA-N 0 0 193.221 2.624 10 30 AFEERN C=CCc1c(O)ccc2[nH]ccc12 34407764 572079917 /nfs/dbraw/zinc/07/99/17/572079917.db2.gz ITIDPSHTYWQBKE-UHFFFAOYSA-N 0 0 173.215 2.602 10 30 AFEERN CC(C)(C)[C@H]1CCC(=O)[C@H](CC=O)C1 34412882 572079958 /nfs/dbraw/zinc/07/99/58/572079958.db2.gz WMEJHUFZRIAJHM-ZJUUUORDSA-N 0 0 196.290 2.607 10 30 AFEERN C[C@@H]1CC[C@H]2[C@@H]1[C@H](C=O)C2(C)C 34413271 572079996 /nfs/dbraw/zinc/07/99/96/572079996.db2.gz FTKNIBWAFYHEGW-XFWSIPNHSA-N 0 0 166.264 2.504 10 30 AFEERN Cc1cc(-c2ccc(C#N)cn2)c(C)o1 235857643 572080564 /nfs/dbraw/zinc/08/05/64/572080564.db2.gz BTKLQXTUWPETHI-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C[C@@H]1C(=O)C=C[C@]2(C)CCCC[C@@H]12 16927696 572081073 /nfs/dbraw/zinc/08/10/73/572081073.db2.gz AXROIMSDXXLWMB-NHCYSSNCSA-N 0 0 178.275 2.958 10 30 AFEERN C#CC[C@@H](O)C[C@@H](C)c1ccccc1 82678562 572081488 /nfs/dbraw/zinc/08/14/88/572081488.db2.gz YUGLQGQEOVRCDY-DGCLKSJQSA-N 0 0 188.270 2.564 10 30 AFEERN C#CC[C@H](O)C[C@@H](C)c1ccccc1 82678565 572082252 /nfs/dbraw/zinc/08/22/52/572082252.db2.gz YUGLQGQEOVRCDY-YPMHNXCESA-N 0 0 188.270 2.564 10 30 AFEERN C#CC[C@H](O)C[C@H](C)c1ccccc1 82678563 572082255 /nfs/dbraw/zinc/08/22/55/572082255.db2.gz YUGLQGQEOVRCDY-AAEUAGOBSA-N 0 0 188.270 2.564 10 30 AFEERN C/C=C(/CC)C(=O)[C@@H](C)CCOC 234112598 572082290 /nfs/dbraw/zinc/08/22/90/572082290.db2.gz PZCBOSRAUAJHMZ-QFQXNISHSA-N 0 0 184.279 2.584 10 30 AFEERN C#CCC[C@@H](O)c1ccc(CC)s1 82677870 572082623 /nfs/dbraw/zinc/08/26/23/572082623.db2.gz GLABYCSVJBDNJA-SNVBAGLBSA-N 0 0 194.299 2.757 10 30 AFEERN C#CCC[C@H](O)c1ccc(CC)s1 82677871 572082639 /nfs/dbraw/zinc/08/26/39/572082639.db2.gz GLABYCSVJBDNJA-JTQLQIEISA-N 0 0 194.299 2.757 10 30 AFEERN CC(C)=CC1=CCC[C@@H](C)C1=O 34454928 572082762 /nfs/dbraw/zinc/08/27/62/572082762.db2.gz LBVOJRITBUJWCT-SECBINFHSA-N 0 0 164.248 2.878 10 30 AFEERN C#CCC[C@H](O)c1ccccc1CC 82677944 572083360 /nfs/dbraw/zinc/08/33/60/572083360.db2.gz VSCMYCPJEHVQOU-ZDUSSCGKSA-N 0 0 188.270 2.696 10 30 AFEERN C#CC[C@@H](O)C[C@H](C)c1ccccc1 82678559 572083003 /nfs/dbraw/zinc/08/30/03/572083003.db2.gz YUGLQGQEOVRCDY-WCQYABFASA-N 0 0 188.270 2.564 10 30 AFEERN C=CCN(C)c1ccc(C)cc1 34454915 572083154 /nfs/dbraw/zinc/08/31/54/572083154.db2.gz HTSRJLLHXOATEE-UHFFFAOYSA-N 0 0 161.248 2.617 10 30 AFEERN CC(C)=CC1=CCC[C@H](C)C1=O 34454929 572083285 /nfs/dbraw/zinc/08/32/85/572083285.db2.gz LBVOJRITBUJWCT-VIFPVBQESA-N 0 0 164.248 2.878 10 30 AFEERN C#CCC[C@@H](O)c1ccccc1CC 82677942 572083588 /nfs/dbraw/zinc/08/35/88/572083588.db2.gz VSCMYCPJEHVQOU-CYBMUJFWSA-N 0 0 188.270 2.696 10 30 AFEERN O=C[C@H](C1CCCC1)C(F)(F)F 34454413 572084006 /nfs/dbraw/zinc/08/40/06/572084006.db2.gz JNIKNAXQGYEWRY-SSDOTTSWSA-N 0 0 180.169 2.554 10 30 AFEERN CCC#C[C@]1(C)CCCCC1=O 34464248 572084082 /nfs/dbraw/zinc/08/40/82/572084082.db2.gz LGSKNDLOXDXKGI-LLVKDONJSA-N 0 0 164.248 2.549 10 30 AFEERN O=C[C@@H](C1CCCC1)C(F)(F)F 34454414 572084245 /nfs/dbraw/zinc/08/42/45/572084245.db2.gz JNIKNAXQGYEWRY-ZETCQYMHSA-N 0 0 180.169 2.554 10 30 AFEERN C=CCc1ccc(Cl)cc1O 34469099 572084638 /nfs/dbraw/zinc/08/46/38/572084638.db2.gz CWEMEMQGPCUERS-UHFFFAOYSA-N 0 0 168.623 2.774 10 30 AFEERN C#CCC[C@H](O)[C@H](C)c1ccccc1 82679710 572084863 /nfs/dbraw/zinc/08/48/63/572084863.db2.gz DLKVTOWUCXHHMT-YPMHNXCESA-N 0 0 188.270 2.564 10 30 AFEERN C=CC[C@H](C=O)c1cccs1 34479103 572085115 /nfs/dbraw/zinc/08/51/15/572085115.db2.gz FIUONEAEONZUPX-MRVPVSSYSA-N 0 0 166.245 2.607 10 30 AFEERN C#CCC[C@@H](O)[C@H](C)c1ccccc1 82679708 572085564 /nfs/dbraw/zinc/08/55/64/572085564.db2.gz DLKVTOWUCXHHMT-DGCLKSJQSA-N 0 0 188.270 2.564 10 30 AFEERN C/C=C1\CCc2ccccc2C1=O 34484440 572085880 /nfs/dbraw/zinc/08/58/80/572085880.db2.gz AJHRPRPRDUSREJ-XNWCZRBMSA-N 0 0 172.227 2.762 10 30 AFEERN C#CCC[C@H](O)[C@@H](C)c1ccccc1 82679709 572085920 /nfs/dbraw/zinc/08/59/20/572085920.db2.gz DLKVTOWUCXHHMT-AAEUAGOBSA-N 0 0 188.270 2.564 10 30 AFEERN CN=C(Nc1ccccc1C)SC 16953755 572085966 /nfs/dbraw/zinc/08/59/66/572085966.db2.gz IYLLKKGMPHYNNG-UHFFFAOYSA-N 0 0 194.303 2.565 10 30 AFEERN CC(C)=C1C[C@H](C(C)C)C1=O 34497163 572086349 /nfs/dbraw/zinc/08/63/49/572086349.db2.gz NIXQTIMITSDURN-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C#CCC[C@@H](O)[C@@H](C)c1ccccc1 82679707 572086387 /nfs/dbraw/zinc/08/63/87/572086387.db2.gz DLKVTOWUCXHHMT-WCQYABFASA-N 0 0 188.270 2.564 10 30 AFEERN CC(C)(C)C(=O)C#CC1CCCC1 34493019 572086831 /nfs/dbraw/zinc/08/68/31/572086831.db2.gz WJIFROMUSTWNOG-UHFFFAOYSA-N 0 0 178.275 2.795 10 30 AFEERN CC(C)=C1C[C@@H](C(C)C)C1=O 34497162 572086918 /nfs/dbraw/zinc/08/69/18/572086918.db2.gz NIXQTIMITSDURN-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)(C)[C@H]1CC=CC(=O)C1 34478796 572087018 /nfs/dbraw/zinc/08/70/18/572087018.db2.gz HKCXYOVZUYHZRL-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H](C=O)c1cccs1 34479102 572087062 /nfs/dbraw/zinc/08/70/62/572087062.db2.gz FIUONEAEONZUPX-QMMMGPOBSA-N 0 0 166.245 2.607 10 30 AFEERN CS[C@H](/C=C/C(C)=O)C(C)C 34519045 572088009 /nfs/dbraw/zinc/08/80/09/572088009.db2.gz JVAOULLDLVOARW-VUHVRTRXSA-N 0 0 172.293 2.519 10 30 AFEERN C/C=C(\Cc1ccccc1)C(C)=O 34499649 572088478 /nfs/dbraw/zinc/08/84/78/572088478.db2.gz OTXTYANKSZVPCC-KGVSQERTSA-N 0 0 174.243 2.764 10 30 AFEERN CC(=O)c1cscc1N=[N+]=[N-] 34514595 572089136 /nfs/dbraw/zinc/08/91/36/572089136.db2.gz YYBZHDRMADNWBK-UHFFFAOYSA-N 0 0 167.193 2.893 10 30 AFEERN C[C@H]1C=Cc2ccccc2[C@@H]1C=O 34499542 572089031 /nfs/dbraw/zinc/08/90/31/572089031.db2.gz SEVJZOMKOOIBKI-JOYOIKCWSA-N 0 0 172.227 2.632 10 30 AFEERN C=C(C)[C@H]1CC[C@@]1(C)CC=O 34499983 572089287 /nfs/dbraw/zinc/08/92/87/572089287.db2.gz IEPKFGTVUCUSFU-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C#C[C@@](C)(O)c1cccc2ccccc12 219664082 572089335 /nfs/dbraw/zinc/08/93/35/572089335.db2.gz KGAJJNIPGDQVKJ-CQSZACIVSA-N 0 0 196.249 2.681 10 30 AFEERN C=CCC[C@@]1(C)C=CC(=O)CC1 34518958 572089374 /nfs/dbraw/zinc/08/93/74/572089374.db2.gz INABNEKZRKPZRJ-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CCCCOCc1ccccc1C#N 37093580 572089379 /nfs/dbraw/zinc/08/93/79/572089379.db2.gz SHPJEUSEMOLKRR-UHFFFAOYSA-N 0 0 189.258 2.875 10 30 AFEERN CC[C@@](C)(C#N)CC[C@H]1CCOC1 400929337 572090447 /nfs/dbraw/zinc/09/04/47/572090447.db2.gz NKSABSPTXURTHM-WDEREUQCSA-N 0 0 181.279 2.743 10 30 AFEERN O=C[C@H]1CCCC[C@@H]1/C=C/C1CC1 34519110 572090373 /nfs/dbraw/zinc/09/03/73/572090373.db2.gz YIGXOKCWWMRYNY-IDDPWSFUSA-N 0 0 178.275 2.958 10 30 AFEERN CC[C@](C)(C#N)CC[C@H]1CCOC1 400929335 572090376 /nfs/dbraw/zinc/09/03/76/572090376.db2.gz NKSABSPTXURTHM-QWRGUYRKSA-N 0 0 181.279 2.743 10 30 AFEERN CC1=CC(=O)[C@@H]2CC(C)(C)C[C@H]2C1 34534158 572090430 /nfs/dbraw/zinc/09/04/30/572090430.db2.gz DUPRBOOTGCMZNH-NXEZZACHSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@]1(C)C(=O)C=C[C@@H]1C(C)C 34519111 572090826 /nfs/dbraw/zinc/09/08/26/572090826.db2.gz VXPMAWXUXPXBCP-ZYHUDNBSSA-N 0 0 178.275 2.980 10 30 AFEERN CCCN(CC)c1ccccc1C#N 37095189 572090893 /nfs/dbraw/zinc/09/08/93/572090893.db2.gz WXBJQFSWJKDMRD-UHFFFAOYSA-N 0 0 188.274 2.795 10 30 AFEERN C#C[C@H](C)C/C=C/[C@H](C)[C@@H](O)CC 214904029 572090897 /nfs/dbraw/zinc/09/08/97/572090897.db2.gz HMSPRUCOZLMXGE-XZTKFUMKSA-N 0 0 180.291 2.609 10 30 AFEERN CC(C)C1=CC[C@](C)(C=O)C1 34548683 572092272 /nfs/dbraw/zinc/09/22/72/572092272.db2.gz SWSJKKNEWHUQDI-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@](C)(C#N)CC[C@@H]1CCOC1 400929333 572091158 /nfs/dbraw/zinc/09/11/58/572091158.db2.gz NKSABSPTXURTHM-MNOVXSKESA-N 0 0 181.279 2.743 10 30 AFEERN CC[C@H]1C[C@@H]1Nc1ccccc1C#N 234142412 572091381 /nfs/dbraw/zinc/09/13/81/572091381.db2.gz ISMRHHMNWATOPT-CABZTGNLSA-N 0 0 186.258 2.769 10 30 AFEERN C=CCC(=O)Cc1ccc(F)cc1F 82737724 572091583 /nfs/dbraw/zinc/09/15/83/572091583.db2.gz NSAIYMUYXOUZMK-UHFFFAOYSA-N 0 0 196.196 2.653 10 30 AFEERN CCc1ccccc1[C@H](C)C=O 78066052 572092076 /nfs/dbraw/zinc/09/20/76/572092076.db2.gz FYWRZHKAZTZOIP-SECBINFHSA-N 0 0 162.232 2.551 10 30 AFEERN CCc1ccccc1[C@@H](C)C=O 78066050 572092089 /nfs/dbraw/zinc/09/20/89/572092089.db2.gz FYWRZHKAZTZOIP-VIFPVBQESA-N 0 0 162.232 2.551 10 30 AFEERN C[C@H]1CCC2=CC(=O)C(C)(C)C[C@@H]21 34540662 572092505 /nfs/dbraw/zinc/09/25/05/572092505.db2.gz IELOEASSSXYEBK-WCBMZHEXSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1ccc([C@]2(C)C=CC(=O)C2)cc1 34562450 572093011 /nfs/dbraw/zinc/09/30/11/572093011.db2.gz JBLBWSFVKVAWRI-CYBMUJFWSA-N 0 0 186.254 2.782 10 30 AFEERN C=CCC[C@@H](NN)[C@H](C)CCCC 300934802 572093073 /nfs/dbraw/zinc/09/30/73/572093073.db2.gz NBQLWPYDXGBEIV-GHMZBOCLSA-N 0 0 184.327 2.611 10 30 AFEERN C=C(c1ccccc1)[C@@H]1CCC[C@@H]1O 34545943 572093087 /nfs/dbraw/zinc/09/30/87/572093087.db2.gz HKNMEZURCLEPPP-STQMWFEESA-N 0 0 188.270 2.861 10 30 AFEERN CCC1CCC([C@@](C)(O)CC=O)CC1 84996480 572093135 /nfs/dbraw/zinc/09/31/35/572093135.db2.gz WLLYIPHQWZVKDL-MCIGGMRASA-N 0 0 198.306 2.543 10 30 AFEERN CC[C@@H]1CCCC[C@H]1[C@](C)(O)CC=O 84996359 572093263 /nfs/dbraw/zinc/09/32/63/572093263.db2.gz RIGMUXZSVNCSLL-IJLUTSLNSA-N 0 0 198.306 2.543 10 30 AFEERN CC/C(C)=N\c1ccccn1 34558459 572093683 /nfs/dbraw/zinc/09/36/83/572093683.db2.gz IZMZARTZBCDDJO-FLIBITNWSA-N 0 0 148.209 2.584 10 30 AFEERN O=C1C=C2CC[C@H]3CCCC3=C2C1 34567540 572094933 /nfs/dbraw/zinc/09/49/33/572094933.db2.gz BVMRHVFHSGKKOZ-MRVPVSSYSA-N 0 0 174.243 2.776 10 30 AFEERN CC(C)C1=CC[C@@](C)(C=O)C1 34548681 572094147 /nfs/dbraw/zinc/09/41/47/572094147.db2.gz SWSJKKNEWHUQDI-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@@H]1CCC[C@H]([C@](C)(O)CC=O)C1 84996602 572094912 /nfs/dbraw/zinc/09/49/12/572094912.db2.gz LEBIRUKBDMDJNP-GRYCIOLGSA-N 0 0 198.306 2.543 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1[C@](C)(O)CC=O 84996356 572094488 /nfs/dbraw/zinc/09/44/88/572094488.db2.gz RIGMUXZSVNCSLL-GRYCIOLGSA-N 0 0 198.306 2.543 10 30 AFEERN CC[C@@H]1CCC[C@@H]([C@](C)(O)CC=O)C1 84996605 572094628 /nfs/dbraw/zinc/09/46/28/572094628.db2.gz LEBIRUKBDMDJNP-IJLUTSLNSA-N 0 0 198.306 2.543 10 30 AFEERN CC1(C)CC[C@@]2(C)C(=O)C=C[C@@H]12 34567138 572095343 /nfs/dbraw/zinc/09/53/43/572095343.db2.gz ZVXLRJOABTURAI-GZMMTYOYSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=C[C@](C)(/C=C/Cl)C=CC1=O 34567940 572095070 /nfs/dbraw/zinc/09/50/70/572095070.db2.gz YXIXJSWFTXEXSD-PORFMDCZSA-N 0 0 182.650 2.830 10 30 AFEERN CCCC/C=C/C(=O)CC 34566683 572095391 /nfs/dbraw/zinc/09/53/91/572095391.db2.gz QVJOMQRREBIZOD-BQYQJAHWSA-N 0 0 140.226 2.712 10 30 AFEERN C=C[C@](C)(C=O)c1ccc(C)cc1 34567525 572095435 /nfs/dbraw/zinc/09/54/35/572095435.db2.gz NLRLTISWSDGCQZ-GFCCVEGCSA-N 0 0 174.243 2.638 10 30 AFEERN CC1=C[C@@](C)(/C=C/Cl)C=CC1=O 34567937 572095459 /nfs/dbraw/zinc/09/54/59/572095459.db2.gz YXIXJSWFTXEXSD-BRAIEQGRSA-N 0 0 182.650 2.830 10 30 AFEERN COc1cc(Cl)c(CC#N)cc1F 34583409 572095464 /nfs/dbraw/zinc/09/54/64/572095464.db2.gz KIKPDDDMOVCBCW-UHFFFAOYSA-N 0 0 199.612 2.554 10 30 AFEERN C/C=C(\CC)C(C)(C)C=O 34566685 572095534 /nfs/dbraw/zinc/09/55/34/572095534.db2.gz WMUAOBDFKJJKSC-VMPITWQZSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@H](CC=O)OCc1ccccc1 34568288 572095861 /nfs/dbraw/zinc/09/58/61/572095861.db2.gz SIUPFVSSODOULT-GFCCVEGCSA-N 0 0 192.258 2.571 10 30 AFEERN C=CCCCCC[C@@H](NC)C(F)F 234444789 572096005 /nfs/dbraw/zinc/09/60/05/572096005.db2.gz KWIXYOBTRRUFAY-SECBINFHSA-N 0 0 191.265 2.976 10 30 AFEERN O=C1C=C2CC[C@@H]3CCCC3=C2C1 34567543 572096127 /nfs/dbraw/zinc/09/61/27/572096127.db2.gz BVMRHVFHSGKKOZ-QMMMGPOBSA-N 0 0 174.243 2.776 10 30 AFEERN CC1(C)C=CC(=O)C(C)(C)C1 34566864 572096470 /nfs/dbraw/zinc/09/64/70/572096470.db2.gz AVJYBPVWUQFBIL-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN C=C=CC(=O)c1ccc(C)cc1 34578484 572096549 /nfs/dbraw/zinc/09/65/49/572096549.db2.gz GQGMOJJLHTVFHY-UHFFFAOYSA-N 0 0 158.200 2.519 10 30 AFEERN C=C1C[C@H](O)C[C@H]2C=C(C)CC[C@@H]12 34567774 572096598 /nfs/dbraw/zinc/09/65/98/572096598.db2.gz SYFRWXXVNPDIDF-WOPDTQHZSA-N 0 0 178.275 2.670 10 30 AFEERN CCCCCOc1ccc(C#N)cn1 37114266 572096760 /nfs/dbraw/zinc/09/67/60/572096760.db2.gz AGXILUZWUIGCNX-UHFFFAOYSA-N 0 0 190.246 2.522 10 30 AFEERN CCCCCOc1ncccc1C#N 37114265 572096765 /nfs/dbraw/zinc/09/67/65/572096765.db2.gz BZMNZECNUSBDKH-UHFFFAOYSA-N 0 0 190.246 2.522 10 30 AFEERN C[C@H]1CC2=C(CCCCC2)C1=O 34596469 572097541 /nfs/dbraw/zinc/09/75/41/572097541.db2.gz YWQPFHYZDPAHBJ-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN CCC(=O)/C(C)=C(/C)SC 34589512 572097565 /nfs/dbraw/zinc/09/75/65/572097565.db2.gz JKPQHRGAFNXRKZ-SREVYHEPSA-N 0 0 158.266 2.622 10 30 AFEERN CCCCCOc1cc(C#N)ccn1 37114267 572097669 /nfs/dbraw/zinc/09/76/69/572097669.db2.gz JGOKEFSIBYWPOC-UHFFFAOYSA-N 0 0 190.246 2.522 10 30 AFEERN Cc1ccc(C(C)(C)CC=O)cc1 34596679 572097774 /nfs/dbraw/zinc/09/77/74/572097774.db2.gz UEHMUHUCIVYCQX-UHFFFAOYSA-N 0 0 176.259 2.862 10 30 AFEERN O=C1C=CCC[C@@]12CC=CCC2 34588908 572098271 /nfs/dbraw/zinc/09/82/71/572098271.db2.gz BFXFXDUVJVHQLV-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN O=C1C=C[C@@]2(CC=CCCC2)C1 34588903 572098471 /nfs/dbraw/zinc/09/84/71/572098471.db2.gz YZCSGOUBASCWJM-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN O=C1C=C[C@]2(CC=CCCC2)C1 34588904 572098657 /nfs/dbraw/zinc/09/86/57/572098657.db2.gz YZCSGOUBASCWJM-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C[C@H]1CCC=C2CC[C@H](C=O)[C@@]21C 34589330 572099000 /nfs/dbraw/zinc/09/90/00/572099000.db2.gz MUEHPYHPMIRILF-MVWJERBFSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@]1(C=O)CC=Cc2ccccc21 34599283 572099361 /nfs/dbraw/zinc/09/93/61/572099361.db2.gz CQXUERHCCJSYFL-LBPRGKRZSA-N 0 0 172.227 2.560 10 30 AFEERN C[C@@H]1CC[C@@H](C(C)(C)CC=O)C(=O)C1 34617783 572099469 /nfs/dbraw/zinc/09/94/69/572099469.db2.gz KUAVOMVCGDIJPA-NXEZZACHSA-N 0 0 196.290 2.607 10 30 AFEERN C[C@H](C=O)CCc1ccccc1F 82762869 572099594 /nfs/dbraw/zinc/09/95/94/572099594.db2.gz ZEIAAHKKQHADOD-VIFPVBQESA-N 0 0 180.222 2.593 10 30 AFEERN Cc1ccccc1CC[C@H](C)C=O 82762909 572099745 /nfs/dbraw/zinc/09/97/45/572099745.db2.gz UPZMEYYYZQVMBE-JTQLQIEISA-N 0 0 176.259 2.763 10 30 AFEERN C[C@H](C=O)CCc1cccc(F)c1F 82762916 572099789 /nfs/dbraw/zinc/09/97/89/572099789.db2.gz KMCBYROXJIWBOI-QMMMGPOBSA-N 0 0 198.212 2.732 10 30 AFEERN C[C@H](C=O)CCCc1cccs1 82762810 572099893 /nfs/dbraw/zinc/09/98/93/572099893.db2.gz ANVTVRZWLFSVDK-VIFPVBQESA-N 0 0 182.288 2.906 10 30 AFEERN C[C@@H](C=O)CCCc1ccsc1 82762849 572099897 /nfs/dbraw/zinc/09/98/97/572099897.db2.gz OPEDZTYVNHOSGY-SECBINFHSA-N 0 0 182.288 2.906 10 30 AFEERN C[C@H](C=O)CCCc1ccsc1 82762848 572100013 /nfs/dbraw/zinc/10/00/13/572100013.db2.gz OPEDZTYVNHOSGY-VIFPVBQESA-N 0 0 182.288 2.906 10 30 AFEERN C[C@H](C=O)CCc1ccc(F)cc1F 82762942 572100414 /nfs/dbraw/zinc/10/04/14/572100414.db2.gz UJWPYVGPLXVHJH-QMMMGPOBSA-N 0 0 198.212 2.732 10 30 AFEERN C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CCC=O 34602122 572100668 /nfs/dbraw/zinc/10/06/68/572100668.db2.gz LWTMDKBJLLLBBC-TUAOUCFPSA-N 0 0 178.275 2.958 10 30 AFEERN CC1(C)C=C2C(=O)CC[C@@]2(C)C1 34599165 572100683 /nfs/dbraw/zinc/10/06/83/572100683.db2.gz QAZYKNSJYYBUML-NSHDSACASA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)/C=C/[C@H]1CCC1(C)C 34617733 572100730 /nfs/dbraw/zinc/10/07/30/572100730.db2.gz HTLAJCAGSLWZJN-MOVJSRMASA-N 0 0 152.237 2.568 10 30 endogenous,in-man AFEERN C[C@]1(C=O)CC=Cc2ccccc21 34599282 572100770 /nfs/dbraw/zinc/10/07/70/572100770.db2.gz CQXUERHCCJSYFL-GFCCVEGCSA-N 0 0 172.227 2.560 10 30 AFEERN Cc1cccc(CC[C@H](C)C=O)c1 82762907 572100871 /nfs/dbraw/zinc/10/08/71/572100871.db2.gz NTWLRKYVNULMPD-NSHDSACASA-N 0 0 176.259 2.763 10 30 AFEERN Cc1ccccc1CC[C@@H](C)C=O 82762908 572100937 /nfs/dbraw/zinc/10/09/37/572100937.db2.gz UPZMEYYYZQVMBE-SNVBAGLBSA-N 0 0 176.259 2.763 10 30 AFEERN C[C@@H](C=O)CCc1ccc(F)cc1 82762735 572100954 /nfs/dbraw/zinc/10/09/54/572100954.db2.gz OFVBPJULDQBTCL-SECBINFHSA-N 0 0 180.222 2.593 10 30 AFEERN C[C@@H](C=O)CCCc1cccs1 82762811 572100981 /nfs/dbraw/zinc/10/09/81/572100981.db2.gz ANVTVRZWLFSVDK-SECBINFHSA-N 0 0 182.288 2.906 10 30 AFEERN CC(C)=CC[C@H](C)CC=O 34598962 572101105 /nfs/dbraw/zinc/10/11/05/572101105.db2.gz BLDWROQUYLSYEK-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN CC1=C(c2ccco2)CCCC1=O 34599327 572101225 /nfs/dbraw/zinc/10/12/25/572101225.db2.gz WEHPFPIWLYTPMS-UHFFFAOYSA-N 0 0 176.215 2.806 10 30 AFEERN C[C@@H](C=O)CCc1cc(F)ccc1F 82762931 572101490 /nfs/dbraw/zinc/10/14/90/572101490.db2.gz XLTHISZJNHVICS-MRVPVSSYSA-N 0 0 198.212 2.732 10 30 AFEERN C[C@H](C=O)CCc1ccc(F)cc1 82762734 572101588 /nfs/dbraw/zinc/10/15/88/572101588.db2.gz OFVBPJULDQBTCL-VIFPVBQESA-N 0 0 180.222 2.593 10 30 AFEERN C[C@H](C=O)CCc1cccc(F)c1 82762744 572101625 /nfs/dbraw/zinc/10/16/25/572101625.db2.gz CYNFHFLBSSKILR-VIFPVBQESA-N 0 0 180.222 2.593 10 30 AFEERN CCC1(C=O)CCC=CCC1 34638636 572101975 /nfs/dbraw/zinc/10/19/75/572101975.db2.gz PPRUEBJKWKZNDH-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC[C@@H](NN)[C@@H](C)CCCC 300935629 572102083 /nfs/dbraw/zinc/10/20/83/572102083.db2.gz NBQLWPYDXGBEIV-WDEREUQCSA-N 0 0 184.327 2.611 10 30 AFEERN C=CCC[C@H](NN)[C@@H](C)CCCC 300935627 572102477 /nfs/dbraw/zinc/10/24/77/572102477.db2.gz NBQLWPYDXGBEIV-QWRGUYRKSA-N 0 0 184.327 2.611 10 30 AFEERN Cc1ccc([C@@]2(C)C=CC(=O)C2)cc1 34618620 572102601 /nfs/dbraw/zinc/10/26/01/572102601.db2.gz JBLBWSFVKVAWRI-ZDUSSCGKSA-N 0 0 186.254 2.782 10 30 AFEERN SC[C@H]1C[C@H]1c1ccccc1 71477104 572102852 /nfs/dbraw/zinc/10/28/52/572102852.db2.gz GWNUQOUGPARVDD-ZJUUUORDSA-N 0 0 164.273 2.720 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@@]2(C)C(=O)C=C[C@H]12 34638697 572102924 /nfs/dbraw/zinc/10/29/24/572102924.db2.gz ALSVOUOHXSTGCE-DTHBNOIPSA-N 0 0 178.275 2.814 10 30 AFEERN CC1=CC(=O)CC[C@H]1C(C)C 34621727 572102985 /nfs/dbraw/zinc/10/29/85/572102985.db2.gz PICMFKWTWAPKCB-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc2c(ccn2CCC#N)c1 34626606 572103078 /nfs/dbraw/zinc/10/30/78/572103078.db2.gz FXNDSCNAXUMWBO-UHFFFAOYSA-N 0 0 184.242 2.863 10 30 AFEERN O=C1C=C[C@H](c2ccccc2)CC1 34622003 572103201 /nfs/dbraw/zinc/10/32/01/572103201.db2.gz IMZKNYVHHFRIMH-NSHDSACASA-N 0 0 172.227 2.689 10 30 AFEERN SC[C@H]1C[C@@H]1c1ccccc1 71477106 572103828 /nfs/dbraw/zinc/10/38/28/572103828.db2.gz GWNUQOUGPARVDD-NXEZZACHSA-N 0 0 164.273 2.720 10 30 AFEERN C[C@@H]1CC[C@@](C)(C=O)C1(C)C 75541887 572104479 /nfs/dbraw/zinc/10/44/79/572104479.db2.gz XFHJFSKPUCMPGP-SCZZXKLOSA-N 0 0 154.253 2.648 10 30 AFEERN C=CCC[C@@H](C)Nc1ccn(CC)n1 300936968 572104523 /nfs/dbraw/zinc/10/45/23/572104523.db2.gz XCQLICRQUJBLLP-SNVBAGLBSA-N 0 0 193.294 2.670 10 30 AFEERN C=CCC[C@H](C)Nc1ccn(CC)n1 300936965 572105525 /nfs/dbraw/zinc/10/55/25/572105525.db2.gz XCQLICRQUJBLLP-JTQLQIEISA-N 0 0 193.294 2.670 10 30 AFEERN C[C@H]1CC[C@](C)(C=O)C1(C)C 75541901 572105585 /nfs/dbraw/zinc/10/55/85/572105585.db2.gz XFHJFSKPUCMPGP-WCBMZHEXSA-N 0 0 154.253 2.648 10 30 AFEERN Cc1ccc([C@H](C)C#N)s1 34792340 572107354 /nfs/dbraw/zinc/10/73/54/572107354.db2.gz ZYXKKRLXNLXYBV-ZCFIWIBFSA-N 0 0 151.234 2.684 10 30 AFEERN CC1=CCC[C@H](C)[C@@H](C=O)CC1 34753333 572108094 /nfs/dbraw/zinc/10/80/94/572108094.db2.gz PPUXREHKLHFYTE-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H](C(C)C)C(C)(C)C=O 17568813 572108285 /nfs/dbraw/zinc/10/82/85/572108285.db2.gz RYGPSWLTAJBJTB-VIFPVBQESA-N 0 0 154.253 2.670 10 30 AFEERN CC[C@H](O)C(=O)C1=CCCCCCC1 234054023 572109151 /nfs/dbraw/zinc/10/91/51/572109151.db2.gz MQXHWKQUYCSCNT-NSHDSACASA-N 0 0 196.290 2.607 10 30 AFEERN CC1=CCC[C@@H](C)[C@@H](C=O)CC1 34753332 572109474 /nfs/dbraw/zinc/10/94/74/572109474.db2.gz PPUXREHKLHFYTE-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccc([C@@H](C)C#N)s1 34792336 572109500 /nfs/dbraw/zinc/10/95/00/572109500.db2.gz ZYXKKRLXNLXYBV-LURJTMIESA-N 0 0 151.234 2.684 10 30 AFEERN C=C[C@H](C(C)C)C(C)(C)C=O 17568811 572109898 /nfs/dbraw/zinc/10/98/98/572109898.db2.gz RYGPSWLTAJBJTB-SECBINFHSA-N 0 0 154.253 2.670 10 30 AFEERN CCCCc1ccc(NCC#N)cc1 37287199 572110399 /nfs/dbraw/zinc/11/03/99/572110399.db2.gz AGRWKVTYGTZOAD-UHFFFAOYSA-N 0 0 188.274 2.965 10 30 AFEERN C=C[C@@](C)(CO)CC(C)(C)C 713218184 572111004 /nfs/dbraw/zinc/11/10/04/572111004.db2.gz OIAPWZYWRJJIRI-SNVBAGLBSA-N 0 0 156.269 2.607 10 30 AFEERN C=C[C@](C)(CO)CC(C)(C)C 713218182 572111419 /nfs/dbraw/zinc/11/14/19/572111419.db2.gz OIAPWZYWRJJIRI-JTQLQIEISA-N 0 0 156.269 2.607 10 30 AFEERN C=C[C@H](C)C(=O)CCCC 196196457 572111915 /nfs/dbraw/zinc/11/19/15/572111915.db2.gz UIIQQXNZKNEWDT-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCC[C@H](C)Nc1cncc(F)c1 300941913 572112074 /nfs/dbraw/zinc/11/20/74/572112074.db2.gz KHEBELGXZCLXDS-VIFPVBQESA-N 0 0 194.253 2.987 10 30 AFEERN CC(C)(S)CNc1ccc(O)cc1 34826823 572112102 /nfs/dbraw/zinc/11/21/02/572112102.db2.gz HVLBSXFCMATZTL-UHFFFAOYSA-N 0 0 197.303 2.513 10 30 AFEERN O=CC1(Sc2ccccc2)CCC1 34883426 572112486 /nfs/dbraw/zinc/11/24/86/572112486.db2.gz HNJANWIWNZVJDY-UHFFFAOYSA-N 0 0 192.283 2.900 10 30 AFEERN C=C[C@@]1(C)CC[C@H](O)c2cocc21 220924734 572113707 /nfs/dbraw/zinc/11/37/07/572113707.db2.gz WCUCZBLVNVNZBS-QWRGUYRKSA-N 0 0 178.231 2.551 10 30 AFEERN C=C[C@]1(C)CC[C@@H](O)c2cocc21 220924915 572113975 /nfs/dbraw/zinc/11/39/75/572113975.db2.gz WCUCZBLVNVNZBS-GHMZBOCLSA-N 0 0 178.231 2.551 10 30 AFEERN CC(C)C[C@H](C)C(=O)C[C@@H](C)C#N 300945993 572114233 /nfs/dbraw/zinc/11/42/33/572114233.db2.gz PETOXVOGSQGWDJ-ZJUUUORDSA-N 0 0 181.279 2.787 10 30 AFEERN CC#CCC[C@H](O)[C@@H](C)CCCC 300944560 572114344 /nfs/dbraw/zinc/11/43/44/572114344.db2.gz OFEKAZFQBCZNDH-RYUDHWBXSA-N 0 0 182.307 2.977 10 30 AFEERN C[C@H]1CCC[C@@H](C)C1S 34957601 572114370 /nfs/dbraw/zinc/11/43/70/572114370.db2.gz BCLNFOCWINVHFQ-DHBOJHSNSA-N 0 0 144.283 2.741 10 30 AFEERN CC(C)C[C@H](C)C(=O)C[C@H](C)C#N 300945989 572114558 /nfs/dbraw/zinc/11/45/58/572114558.db2.gz PETOXVOGSQGWDJ-UWVGGRQHSA-N 0 0 181.279 2.787 10 30 AFEERN C=C[C@]1(C)CC[C@H](O)c2cocc21 220924799 572114685 /nfs/dbraw/zinc/11/46/85/572114685.db2.gz WCUCZBLVNVNZBS-WDEREUQCSA-N 0 0 178.231 2.551 10 30 AFEERN C=C[C@@]1(C)CC[C@@H](O)c2cocc21 220924860 572115002 /nfs/dbraw/zinc/11/50/02/572115002.db2.gz WCUCZBLVNVNZBS-MNOVXSKESA-N 0 0 178.231 2.551 10 30 AFEERN CC#CCC[C@@H](O)[C@H](C)CCCC 300944562 572115242 /nfs/dbraw/zinc/11/52/42/572115242.db2.gz OFEKAZFQBCZNDH-VXGBXAGGSA-N 0 0 182.307 2.977 10 30 AFEERN CC#CCC[C@@H](O)[C@@H](C)CCCC 300944558 572115434 /nfs/dbraw/zinc/11/54/34/572115434.db2.gz OFEKAZFQBCZNDH-NWDGAFQWSA-N 0 0 182.307 2.977 10 30 AFEERN CC1=C2C=CCC[C@H](C)[C@@H]2CC1=O 35032399 572116615 /nfs/dbraw/zinc/11/66/15/572116615.db2.gz BWQHIZINCZVPPT-KWQFWETISA-N 0 0 176.259 2.878 10 30 AFEERN C=CC(C)(C)[C@@H](O)CC(C)C 17703632 572116569 /nfs/dbraw/zinc/11/65/69/572116569.db2.gz KDGZHNNLHOAREU-VIFPVBQESA-N 0 0 156.269 2.606 10 30 AFEERN C[C@H]1CC(C)(C)CC(=O)[C@H]1CCC=O 35048407 572116969 /nfs/dbraw/zinc/11/69/69/572116969.db2.gz USGHTLMHGNJIAP-UWVGGRQHSA-N 0 0 196.290 2.607 10 30 AFEERN CC1=C(CCC=O)C(=O)CC(C)(C)C1 35048403 572117089 /nfs/dbraw/zinc/11/70/89/572117089.db2.gz OQRIKFBMHNJUJI-UHFFFAOYSA-N 0 0 194.274 2.671 10 30 AFEERN CC1=CC(=O)[C@H](CCC=O)C(C)(C)C1 35048410 572117569 /nfs/dbraw/zinc/11/75/69/572117569.db2.gz MRSNQNBJLAGPSP-JTQLQIEISA-N 0 0 194.274 2.527 10 30 AFEERN CCCCCC[C@@H]1CC(=O)C=CO1 35070799 572118016 /nfs/dbraw/zinc/11/80/16/572118016.db2.gz YTWHNMVNJSXDNR-LLVKDONJSA-N 0 0 182.263 2.829 10 30 AFEERN C=C[C@@H](C)OC(=O)CCCCC 114370807 572118032 /nfs/dbraw/zinc/11/80/32/572118032.db2.gz PFOKVZQTLYLQIQ-SECBINFHSA-N 0 0 170.252 2.684 10 30 AFEERN Cc1ccccc1/C=C/CC=O 35050681 572118036 /nfs/dbraw/zinc/11/80/36/572118036.db2.gz QPLFYVWITFABNF-XBXARRHUSA-N 0 0 160.216 2.597 10 30 AFEERN C=C[C@H](C)OC(=O)CCCCC 114370803 572118316 /nfs/dbraw/zinc/11/83/16/572118316.db2.gz PFOKVZQTLYLQIQ-VIFPVBQESA-N 0 0 170.252 2.684 10 30 AFEERN CC1=CC(=O)[C@@H](CCC=O)C(C)(C)C1 35048411 572119389 /nfs/dbraw/zinc/11/93/89/572119389.db2.gz MRSNQNBJLAGPSP-SNVBAGLBSA-N 0 0 194.274 2.527 10 30 AFEERN CC[C@H](CC#N)S[C@@H]1CCO[C@H]1C 300335774 572119550 /nfs/dbraw/zinc/11/95/50/572119550.db2.gz FGBRBMJANVAXRM-IVZWLZJFSA-N 0 0 199.319 2.589 10 30 AFEERN C#C[C@@H](CCCCC)[C@H](O)C(C)C 215100161 572119572 /nfs/dbraw/zinc/11/95/72/572119572.db2.gz XHRHFPDMNBRDGV-NWDGAFQWSA-N 0 0 182.307 2.833 10 30 AFEERN CC#CCC(=O)[C@@H](C)CCCC 300947524 572119666 /nfs/dbraw/zinc/11/96/66/572119666.db2.gz OOWSMTFVCQZKDO-JTQLQIEISA-N 0 0 166.264 2.795 10 30 AFEERN C=C1CC[C@@H](c2ccccc2)[C@@H](O)C1 196196534 572119704 /nfs/dbraw/zinc/11/97/04/572119704.db2.gz WAUNISPASFWPJD-STQMWFEESA-N 0 0 188.270 2.871 10 30 AFEERN C1CCCC([C@H]2CO2)CCC1 17943682 572120049 /nfs/dbraw/zinc/12/00/49/572120049.db2.gz UTSRGBWFONXHAR-SNVBAGLBSA-N 0 0 154.253 2.746 10 30 AFEERN CC[C@H](CC#N)S[C@H]1CCO[C@H]1C 300335773 572120396 /nfs/dbraw/zinc/12/03/96/572120396.db2.gz FGBRBMJANVAXRM-AEJSXWLSSA-N 0 0 199.319 2.589 10 30 AFEERN C/C=C1\Sc2ccccc2C1=O 196188527 572120535 /nfs/dbraw/zinc/12/05/35/572120535.db2.gz PSWITQGLCSHTTC-WAPJZHGLSA-N 0 0 176.240 2.879 10 30 AFEERN CC1=CC(=O)[C@H](C)C(C)(C)C1 196187835 572120596 /nfs/dbraw/zinc/12/05/96/572120596.db2.gz SDVOAXYGGMIAIV-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CC(=O)[C@@H](C)C(C)(C)C1 196187830 572120687 /nfs/dbraw/zinc/12/06/87/572120687.db2.gz SDVOAXYGGMIAIV-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@@H](CC=O)OCc1ccccc1 196187847 572120717 /nfs/dbraw/zinc/12/07/17/572120717.db2.gz SIUPFVSSODOULT-LBPRGKRZSA-N 0 0 192.258 2.571 10 30 AFEERN CC(C)[C@@H]1CC[C@H](C)C=CC1=O 196197924 572120920 /nfs/dbraw/zinc/12/09/20/572120920.db2.gz FWKMNLBGFBFYCK-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN C=C=C1C(C)=CC(=O)[C@]1(C)CC 196191936 572121114 /nfs/dbraw/zinc/12/11/14/572121114.db2.gz PAMHQICURABERX-LLVKDONJSA-N 0 0 162.232 2.643 10 30 AFEERN CCC(C)=C=CC(C)(C)C=O 196197172 572121134 /nfs/dbraw/zinc/12/11/34/572121134.db2.gz BIBXZPSMZULSGW-UHFFFAOYSA-N 0 0 152.237 2.723 10 30 AFEERN CC(C)[C@H]1CC[C@H](C)C=CC1=O 196197916 572121289 /nfs/dbraw/zinc/12/12/89/572121289.db2.gz FWKMNLBGFBFYCK-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@@H](C)C(=O)CCCC 196196468 572121576 /nfs/dbraw/zinc/12/15/76/572121576.db2.gz UIIQQXNZKNEWDT-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN CC#CCC(=O)[C@H](C)CCCC 300947526 572121641 /nfs/dbraw/zinc/12/16/41/572121641.db2.gz OOWSMTFVCQZKDO-SNVBAGLBSA-N 0 0 166.264 2.795 10 30 AFEERN CC1=CC[C@@H](C(C)(C)C)CC1=O 196195651 572121647 /nfs/dbraw/zinc/12/16/47/572121647.db2.gz LAQJLXZJTZAPBI-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)C=CC1=O 196197907 572121665 /nfs/dbraw/zinc/12/16/65/572121665.db2.gz FWKMNLBGFBFYCK-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN C=C=C1C(C)=CC(=O)[C@@]1(C)CC 196191929 572121815 /nfs/dbraw/zinc/12/18/15/572121815.db2.gz PAMHQICURABERX-NSHDSACASA-N 0 0 162.232 2.643 10 30 AFEERN C=C1CCC[C@@H]2C(=O)CC[C@]12C 196181636 572125446 /nfs/dbraw/zinc/12/54/46/572125446.db2.gz ZEJDEVKRIPLFCR-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCC[C@H](C)CC(C)=O 82807366 572122489 /nfs/dbraw/zinc/12/24/89/572122489.db2.gz BOMUOTOBAUGDFN-VIFPVBQESA-N 0 0 154.253 2.958 10 30 AFEERN C=CCCC[C@@H](C)CC(C)=O 82807368 572123141 /nfs/dbraw/zinc/12/31/41/572123141.db2.gz BOMUOTOBAUGDFN-SECBINFHSA-N 0 0 154.253 2.958 10 30 AFEERN C=C1CCC[C@]2(C)C(=O)CC[C@H]12 196181667 572125489 /nfs/dbraw/zinc/12/54/89/572125489.db2.gz RWRCLHICSKTPPA-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CCC[C@@]2(C)C(=O)CC[C@H]12 196181660 572125499 /nfs/dbraw/zinc/12/54/99/572125499.db2.gz RWRCLHICSKTPPA-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN O=C(/C=C/Cl)c1ccccc1F 196182348 572124841 /nfs/dbraw/zinc/12/48/41/572124841.db2.gz SWYHNXZLWYATCI-AATRIKPKSA-N 0 0 184.597 2.761 10 30 AFEERN C=C1CCC[C@@H]2C(=O)CCC[C@@H]12 196181461 572124647 /nfs/dbraw/zinc/12/46/47/572124647.db2.gz MXFQDZHBOYQWFO-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CCC[C@H]2C(=O)CCC[C@H]12 196181437 572124854 /nfs/dbraw/zinc/12/48/54/572124854.db2.gz MXFQDZHBOYQWFO-NXEZZACHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CCC[C@H]2C(=O)CC[C@]12C 196181622 572124870 /nfs/dbraw/zinc/12/48/70/572124870.db2.gz ZEJDEVKRIPLFCR-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(Cl)CCCCC(C)=O 196182286 572125296 /nfs/dbraw/zinc/12/52/96/572125296.db2.gz DEKAIMIZACZJAB-UHFFFAOYSA-N 0 0 160.644 2.888 10 30 AFEERN C=C1CCC[C@@]2(C)C(=O)CC[C@@H]12 196181645 572125368 /nfs/dbraw/zinc/12/53/68/572125368.db2.gz RWRCLHICSKTPPA-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCC[C@H](C)C[C@@H](C)O 82811970 572125424 /nfs/dbraw/zinc/12/54/24/572125424.db2.gz LJHLPFPVIZETGP-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN C=C1CCC[C@H]2C(=O)CC[C@@]12C 196181618 572125744 /nfs/dbraw/zinc/12/57/44/572125744.db2.gz ZEJDEVKRIPLFCR-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCC[C@@H](C)C[C@@H](C)O 82811972 572125863 /nfs/dbraw/zinc/12/58/63/572125863.db2.gz LJHLPFPVIZETGP-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN CC(C)(C)C1=CCCCC1=O 196181758 572126089 /nfs/dbraw/zinc/12/60/89/572126089.db2.gz LFSJSVSLYWRQOO-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@@H](O)[C@H](C)C(C)(C)C 220939138 572126224 /nfs/dbraw/zinc/12/62/24/572126224.db2.gz MCPUEIMJVMHORJ-DTWKUNHWSA-N 0 0 156.269 2.606 10 30 AFEERN C=CC[C@H](C)C1=CC(=O)CCC1 196181488 572126234 /nfs/dbraw/zinc/12/62/34/572126234.db2.gz KVXSNGZVSBDABO-VIFPVBQESA-N 0 0 164.248 2.878 10 30 AFEERN C=C1CCC[C@@H]2C(=O)CCC[C@H]12 196181447 572126403 /nfs/dbraw/zinc/12/64/03/572126403.db2.gz MXFQDZHBOYQWFO-ZJUUUORDSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@@H](C)C1=CC(=O)CCC1 196181498 572126489 /nfs/dbraw/zinc/12/64/89/572126489.db2.gz KVXSNGZVSBDABO-SECBINFHSA-N 0 0 164.248 2.878 10 30 AFEERN C=CCCC[C@H](C)C[C@H](C)O 82811974 572126745 /nfs/dbraw/zinc/12/67/45/572126745.db2.gz LJHLPFPVIZETGP-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C1CCC[C@H]2C(=O)CCC[C@@H]12 196181452 572126816 /nfs/dbraw/zinc/12/68/16/572126816.db2.gz MXFQDZHBOYQWFO-VHSXEESVSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H](C)ON[C@H](C)c1ccc(C)o1 400960327 572126861 /nfs/dbraw/zinc/12/68/61/572126861.db2.gz YJBXYAHTGQOCJI-PSASIEDQSA-N 0 0 195.262 2.745 10 30 AFEERN C=CC(=O)c1cccc2[nH]ccc12 196182237 572126919 /nfs/dbraw/zinc/12/69/19/572126919.db2.gz KYLOZDKSJFPSQK-UHFFFAOYSA-N 0 0 171.199 2.537 10 30 AFEERN C=C1CCC[C@]2(C)C(=O)CC[C@@H]12 196181654 572127054 /nfs/dbraw/zinc/12/70/54/572127054.db2.gz RWRCLHICSKTPPA-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CCC[C@@H]2C(=O)CC[C@@]12C 196181630 572127188 /nfs/dbraw/zinc/12/71/88/572127188.db2.gz ZEJDEVKRIPLFCR-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCC(C)(C)C[C@@H](C)O 82817185 572127747 /nfs/dbraw/zinc/12/77/47/572127747.db2.gz PZHOBWMBRXWWEH-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCC(C)(C)C[C@H](C)O 82817184 572128429 /nfs/dbraw/zinc/12/84/29/572128429.db2.gz PZHOBWMBRXWWEH-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN Cc1ccsc1[C@@H](C)NCCC#N 69636141 572128742 /nfs/dbraw/zinc/12/87/42/572128742.db2.gz VPUYKSFMSYOBJA-SECBINFHSA-N 0 0 194.303 2.621 10 30 AFEERN C=CCCC(C)(C)CC(C)=O 82816214 572128825 /nfs/dbraw/zinc/12/88/25/572128825.db2.gz GBZNCDBGCQLGCA-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1c(F)cccc1NC[C@@H](C)C#N 43320834 572129628 /nfs/dbraw/zinc/12/96/28/572129628.db2.gz CKWVNUPRTDHBBU-QMMMGPOBSA-N 0 0 192.237 2.706 10 30 AFEERN Cc1c(F)cccc1NC[C@H](C)C#N 43320836 572129400 /nfs/dbraw/zinc/12/94/00/572129400.db2.gz CKWVNUPRTDHBBU-MRVPVSSYSA-N 0 0 192.237 2.706 10 30 AFEERN C[C@@H]1CC(N(C)[C@@H](C)C#N)C[C@H](C)C1 82832729 572131425 /nfs/dbraw/zinc/13/14/25/572131425.db2.gz GBBHUMAPBLUPLC-PSIUFMSWSA-N 0 0 194.322 2.655 10 30 AFEERN CC(C)NC1(C#N)C[C@@H](C)C[C@@H](C)C1 82831059 572130056 /nfs/dbraw/zinc/13/00/56/572130056.db2.gz QKFRUYFMDSIXGY-FOSCPWQOSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@H]1C[C@@H](C)CC(Cl)(C#N)C1 82832020 572130104 /nfs/dbraw/zinc/13/01/04/572130104.db2.gz YYNUFOAQWQKBEW-JVHMLUBASA-N 0 0 171.671 2.944 10 30 AFEERN CCN(CC#N)C1C[C@@H](C)C[C@@H](C)C1 82832727 572130111 /nfs/dbraw/zinc/13/01/11/572130111.db2.gz MZGCMFNIOXORFZ-FOSCPWQOSA-N 0 0 194.322 2.657 10 30 AFEERN Cc1c(F)cccc1N[C@H](C)CC#N 43320941 572130122 /nfs/dbraw/zinc/13/01/22/572130122.db2.gz ZGPPPUNQGSHSLB-MRVPVSSYSA-N 0 0 192.237 2.848 10 30 AFEERN Cc1ccsc1[C@H](C)NCCC#N 69636144 572130126 /nfs/dbraw/zinc/13/01/26/572130126.db2.gz VPUYKSFMSYOBJA-VIFPVBQESA-N 0 0 194.303 2.621 10 30 AFEERN Cc1c(F)cccc1N[C@@H](C)CC#N 43320939 572130441 /nfs/dbraw/zinc/13/04/41/572130441.db2.gz ZGPPPUNQGSHSLB-QMMMGPOBSA-N 0 0 192.237 2.848 10 30 AFEERN C[C@@H]1CC(S)C[C@H](C)C1 82830497 572131187 /nfs/dbraw/zinc/13/11/87/572131187.db2.gz XIKAEBLEOHLHEI-DHBOJHSNSA-N 0 0 144.283 2.741 10 30 AFEERN CCCNC1(C#N)C[C@@H](C)C[C@@H](C)C1 82831056 572131303 /nfs/dbraw/zinc/13/13/03/572131303.db2.gz PCOHCYZSFWISSM-FOSCPWQOSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H]1C[C@@H](C)CC2(CC(=O)C=CO2)C1 82832301 572131525 /nfs/dbraw/zinc/13/15/25/572131525.db2.gz XYERFCYXGOMWAP-DHHPTOIESA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@@H](O)[C@H](C)CC(C)C 300952251 572131592 /nfs/dbraw/zinc/13/15/92/572131592.db2.gz PWEISFIAFPFEIA-NXEZZACHSA-N 0 0 156.269 2.606 10 30 AFEERN CC(C)N[C@@]1(C#N)CC[C@H](C)[C@@H](C)C1 82838042 572132048 /nfs/dbraw/zinc/13/20/48/572132048.db2.gz IHEDZGIKYMNKKB-SRVKXCTJSA-N 0 0 194.322 2.703 10 30 AFEERN CC(C)N[C@@]1(C#N)CC[C@@H](C)[C@@H](C)C1 82838039 572132093 /nfs/dbraw/zinc/13/20/93/572132093.db2.gz IHEDZGIKYMNKKB-WOPDTQHZSA-N 0 0 194.322 2.703 10 30 AFEERN CC[C@H](C#N)NC1C[C@@H](C)C[C@@H](C)C1 82835054 572132160 /nfs/dbraw/zinc/13/21/60/572132160.db2.gz YBFSKBBAZKZBRE-FBTJUVTCSA-N 0 0 194.322 2.703 10 30 AFEERN C=CC(C)(C)[C@@H](C=O)C(=C)C 18158259 572132774 /nfs/dbraw/zinc/13/27/74/572132774.db2.gz PJDVDOYSDZKWPD-VIFPVBQESA-N 0 0 152.237 2.590 10 30 AFEERN C#CCC[C@@]1(O)CC[C@H](C)[C@@H](C)C1 82838665 572132871 /nfs/dbraw/zinc/13/28/71/572132871.db2.gz YFVZQLHLSRYFIL-SDDRHHMPSA-N 0 0 180.291 2.587 10 30 AFEERN C#CCC[C@@]1(O)CC[C@@H](C)[C@@H](C)C1 82838663 572132917 /nfs/dbraw/zinc/13/29/17/572132917.db2.gz YFVZQLHLSRYFIL-GRYCIOLGSA-N 0 0 180.291 2.587 10 30 AFEERN CC[C@H](C#N)NC[C@H]1CCC[C@H](C)C1 300360596 572132975 /nfs/dbraw/zinc/13/29/75/572132975.db2.gz VVLUYRXRDQKTNZ-SDDRHHMPSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H]1CC[C@H](S)C[C@@H]1C 82836220 572133004 /nfs/dbraw/zinc/13/30/04/572133004.db2.gz WXQYOQORZFAPGZ-FXQIFTODSA-N 0 0 144.283 2.741 10 30 AFEERN C[C@H]1CC[C@@H](S)C[C@@H]1C 82836224 572133008 /nfs/dbraw/zinc/13/30/08/572133008.db2.gz WXQYOQORZFAPGZ-BIIVOSGPSA-N 0 0 144.283 2.741 10 30 AFEERN CC[C@H](C#N)NC[C@@H]1CCC[C@H](C)C1 300360595 572133121 /nfs/dbraw/zinc/13/31/21/572133121.db2.gz VVLUYRXRDQKTNZ-QJPTWQEYSA-N 0 0 194.322 2.704 10 30 AFEERN C=CCCC(=O)CCCSC 402314152 572133277 /nfs/dbraw/zinc/13/32/77/572133277.db2.gz LMHYLEYAIITBFX-UHFFFAOYSA-N 0 0 172.293 2.665 10 30 AFEERN C[C@@H]1CC(CC=O)C[C@H](C)C1 82833739 572133388 /nfs/dbraw/zinc/13/33/88/572133388.db2.gz GTOWXCACQBDEHA-ULKQDVFKSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@H]1CC[C@H](C#N)C[C@@H]1C 82836407 572133456 /nfs/dbraw/zinc/13/34/56/572133456.db2.gz YJVGNQLRSCOXHP-CIUDSAMLSA-N 0 0 137.226 2.582 10 30 AFEERN CC[C@@H](C#N)NC1C[C@@H](C)C[C@@H](C)C1 82835053 572134160 /nfs/dbraw/zinc/13/41/60/572134160.db2.gz YBFSKBBAZKZBRE-PSIUFMSWSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@H]1CC[C@@H](C#N)C[C@@H]1C 82836409 572134469 /nfs/dbraw/zinc/13/44/69/572134469.db2.gz YJVGNQLRSCOXHP-XHNCKOQMSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H]1CC[C@](Cl)(C#N)C[C@@H]1C 82839180 572135761 /nfs/dbraw/zinc/13/57/61/572135761.db2.gz IXUOFMFELYSYQI-XHNCKOQMSA-N 0 0 171.671 2.944 10 30 AFEERN C[C@H]1CC[C@@](Cl)(C#N)C[C@@H]1C 82839184 572136662 /nfs/dbraw/zinc/13/66/62/572136662.db2.gz IXUOFMFELYSYQI-CIUDSAMLSA-N 0 0 171.671 2.944 10 30 AFEERN C=C(CC)CC(=O)[C@@H]1CCO[C@H]1CC 300367300 572138849 /nfs/dbraw/zinc/13/88/49/572138849.db2.gz AANBBTQYABPRJX-JQWIXIFHSA-N 0 0 196.290 2.727 10 30 AFEERN C=C(C)[C@H](C(C)=O)C(C)(C)C 18207120 572140242 /nfs/dbraw/zinc/14/02/42/572140242.db2.gz GMHBKFMJUSTBDI-SECBINFHSA-N 0 0 154.253 2.814 10 30 AFEERN OCCC#Cc1ccc2ccccc2c1 37470448 572141305 /nfs/dbraw/zinc/14/13/05/572141305.db2.gz XTYAHSJTOGYPEV-UHFFFAOYSA-N 0 0 196.249 2.574 10 30 AFEERN C=CCCCC(=O)[C@@H]1CCO[C@H]1CC 300372088 572142006 /nfs/dbraw/zinc/14/20/06/572142006.db2.gz FNYNPMIVULIUDE-JQWIXIFHSA-N 0 0 196.290 2.727 10 30 AFEERN CCCCN[C@@H](C#N)C1CCCCC1 71506922 572142578 /nfs/dbraw/zinc/14/25/78/572142578.db2.gz RILHPUPRMUMUSQ-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN CCCCN[C@H](C#N)C1CCCCC1 71506923 572144232 /nfs/dbraw/zinc/14/42/32/572144232.db2.gz RILHPUPRMUMUSQ-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN C#CCCNc1ccc2ccccc2n1 69790763 572144570 /nfs/dbraw/zinc/14/45/70/572144570.db2.gz DMVMWKSECPVMRZ-UHFFFAOYSA-N 0 0 196.253 2.670 10 30 AFEERN C=C(CC)C[C@H](O)[C@@H]1CCO[C@H]1CC 300386598 572150032 /nfs/dbraw/zinc/15/00/32/572150032.db2.gz RROJVXSIOFHIQA-SRVKXCTJSA-N 0 0 198.306 2.519 10 30 AFEERN C[C@H]1CC[C@@]2(CC(=O)C=CO2)C[C@@H]1C 82839429 572150069 /nfs/dbraw/zinc/15/00/69/572150069.db2.gz YHTWDHKRMIMVDW-NHCYSSNCSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@@H](C#N)O[C@H]1CC[C@@H](C)[C@@H](C)C1 82840710 572150105 /nfs/dbraw/zinc/15/01/05/572150105.db2.gz WHXFMPMFWVADGF-RCWTZXSCSA-N 0 0 181.279 2.740 10 30 AFEERN C[C@@H](C#N)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 82840713 572150491 /nfs/dbraw/zinc/15/04/91/572150491.db2.gz WHXFMPMFWVADGF-VPOLOUISSA-N 0 0 181.279 2.740 10 30 AFEERN C[C@H]1CC[C@H](OCCC#N)C[C@@H]1C 82840697 572150669 /nfs/dbraw/zinc/15/06/69/572150669.db2.gz JMKCJXQCZJSEHC-DCAQKATOSA-N 0 0 181.279 2.741 10 30 AFEERN CCCC1(CCC)CC(=O)C=CO1 69852282 572150882 /nfs/dbraw/zinc/15/08/82/572150882.db2.gz RNKHFBHTSJUOSF-UHFFFAOYSA-N 0 0 182.263 2.829 10 30 AFEERN CCCC[C@@]1(CC)CC(=O)C=CO1 69852493 572151076 /nfs/dbraw/zinc/15/10/76/572151076.db2.gz XVCNDXUOLWCGNM-NSHDSACASA-N 0 0 182.263 2.829 10 30 AFEERN CCCC[C@]1(CC)CC(=O)C=CO1 69852492 572151206 /nfs/dbraw/zinc/15/12/06/572151206.db2.gz XVCNDXUOLWCGNM-LLVKDONJSA-N 0 0 182.263 2.829 10 30 AFEERN C[C@H]1CC[C@@H](OCCC#N)C[C@@H]1C 82840700 572151298 /nfs/dbraw/zinc/15/12/98/572151298.db2.gz JMKCJXQCZJSEHC-GARJFASQSA-N 0 0 181.279 2.741 10 30 AFEERN C=CCc1cc(Cl)ccc1N 35298676 572151319 /nfs/dbraw/zinc/15/13/19/572151319.db2.gz ADIOWRPLYSQVMW-UHFFFAOYSA-N 0 0 167.639 2.651 10 30 AFEERN C[C@H]1CC[C@H](CC=O)C[C@@H]1C 82844483 572151903 /nfs/dbraw/zinc/15/19/03/572151903.db2.gz WPWVKWWXBLCEQS-LPEHRKFASA-N 0 0 154.253 2.648 10 30 AFEERN C=C(CC)C[C@H](O)[C@H]1CCO[C@H]1CC 300386602 572151979 /nfs/dbraw/zinc/15/19/79/572151979.db2.gz RROJVXSIOFHIQA-WOPDTQHZSA-N 0 0 198.306 2.519 10 30 AFEERN CCCCCC[C@H]1CC(=O)C=CO1 69850456 572152032 /nfs/dbraw/zinc/15/20/32/572152032.db2.gz YTWHNMVNJSXDNR-NSHDSACASA-N 0 0 182.263 2.829 10 30 AFEERN CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)CC#N)C1 82847670 572152345 /nfs/dbraw/zinc/15/23/45/572152345.db2.gz KGHRVFHMADHNRQ-SDDRHHMPSA-N 0 0 194.322 2.847 10 30 AFEERN C=C(C)CCC(=O)[C@@H]1CCO[C@H]1CC 300386668 572152535 /nfs/dbraw/zinc/15/25/35/572152535.db2.gz RSQWILSLWAVNEX-JQWIXIFHSA-N 0 0 196.290 2.727 10 30 AFEERN C[C@@H](CC#N)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 82846365 572153014 /nfs/dbraw/zinc/15/30/14/572153014.db2.gz JPVLSLTXKNIBCW-RHYQMDGZSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H](CC#N)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 82846368 572153231 /nfs/dbraw/zinc/15/32/31/572153231.db2.gz JPVLSLTXKNIBCW-NOOOWODRSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@H]1C[C@H](N(C)[C@@H](C)C#N)CC[C@H]1C 82841897 572153638 /nfs/dbraw/zinc/15/36/38/572153638.db2.gz AJOXWTQMWWSCJF-NOOOWODRSA-N 0 0 194.322 2.655 10 30 AFEERN CC[C@H]1CCC[C@H]([NH2+][C@@H](C)CC#N)C1 82847668 572153819 /nfs/dbraw/zinc/15/38/19/572153819.db2.gz KGHRVFHMADHNRQ-SRVKXCTJSA-N 0 0 194.322 2.847 10 30 AFEERN C[C@H]1CC[C@@H](CC=O)C[C@@H]1C 82844488 572153962 /nfs/dbraw/zinc/15/39/62/572153962.db2.gz WPWVKWWXBLCEQS-GUBZILKMSA-N 0 0 154.253 2.648 10 30 AFEERN CCCN[C@@]1(C#N)CCC[C@@H](C)[C@@H]1C 82860169 572154396 /nfs/dbraw/zinc/15/43/96/572154396.db2.gz OZNSAZLXFBVHKW-GRYCIOLGSA-N 0 0 194.322 2.704 10 30 AFEERN CCCN[C@@]1(C#N)CC[C@H](C)C[C@@H]1C 82860171 572155215 /nfs/dbraw/zinc/15/52/15/572155215.db2.gz WFGCVEBJNBGICR-SDDRHHMPSA-N 0 0 194.322 2.704 10 30 AFEERN C=C[C@H]1CC(=O)C12CCCCC2 35306705 572154574 /nfs/dbraw/zinc/15/45/74/572154574.db2.gz HUNUIRDWQFENLK-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)N[C@@]1(C#N)C[C@@H](C)CC[C@@H]1C 82860187 572155016 /nfs/dbraw/zinc/15/50/16/572155016.db2.gz GCFMAHGLQCOIHF-SDDRHHMPSA-N 0 0 194.322 2.703 10 30 AFEERN CCCN[C@@]1(C#N)C[C@H](C)CC[C@@H]1C 82860175 572155022 /nfs/dbraw/zinc/15/50/22/572155022.db2.gz MGNLEEZEXFDCRA-GRYCIOLGSA-N 0 0 194.322 2.704 10 30 AFEERN CCCCC(=O)[C@H](C#N)CC(C)C 43374877 572155533 /nfs/dbraw/zinc/15/55/33/572155533.db2.gz HDIACBKGPQNDTB-JTQLQIEISA-N 0 0 181.279 2.932 10 30 AFEERN CCCN[C@@]1(C#N)CC[C@@H](C)C[C@@H]1C 82860173 572155290 /nfs/dbraw/zinc/15/52/90/572155290.db2.gz WFGCVEBJNBGICR-GRYCIOLGSA-N 0 0 194.322 2.704 10 30 AFEERN CCCN[C@@]1(C#N)C[C@@H](C)CC[C@@H]1C 82860177 572155549 /nfs/dbraw/zinc/15/55/49/572155549.db2.gz MGNLEEZEXFDCRA-SDDRHHMPSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H]1CCC[C@H](C#N)[C@@H]1C 82857512 572155611 /nfs/dbraw/zinc/15/56/11/572155611.db2.gz WHZGICUYVOAGRF-DJLDLDEBSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H]1CC[C@@H](C)[C@H](C#N)C1 82857511 572155686 /nfs/dbraw/zinc/15/56/86/572155686.db2.gz GATFDVNPVSEJDR-YIZRAAEISA-N 0 0 137.226 2.582 10 30 AFEERN CC(C)C[C@@H](C#N)C(=O)C1CCCC1 43374837 572155799 /nfs/dbraw/zinc/15/57/99/572155799.db2.gz XBNKMVRIVFKXKB-NSHDSACASA-N 0 0 193.290 2.932 10 30 AFEERN C[C@H]1CCC[C@@H](C#N)[C@@H]1C 82857513 572156295 /nfs/dbraw/zinc/15/62/95/572156295.db2.gz WHZGICUYVOAGRF-YIZRAAEISA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H]1CCC[C@H](S)[C@@H]1C 82857485 572156585 /nfs/dbraw/zinc/15/65/85/572156585.db2.gz ZJZQKHDZCJYKAM-RNJXMRFFSA-N 0 0 144.283 2.741 10 30 AFEERN C[C@H]1CC[C@H](C)[C@](Cl)(C#N)C1 82861953 572157557 /nfs/dbraw/zinc/15/75/57/572157557.db2.gz NLFCHWIUIZGXGS-XHNCKOQMSA-N 0 0 171.671 2.944 10 30 AFEERN C=CC(=O)c1ccc(OC(C)C)cc1 71500663 572157602 /nfs/dbraw/zinc/15/76/02/572157602.db2.gz KLCNDWNTEROTBG-UHFFFAOYSA-N 0 0 190.242 2.843 10 30 AFEERN C=CC(=O)c1ccc(OCC)c(C)c1 71500661 572157634 /nfs/dbraw/zinc/15/76/34/572157634.db2.gz XUIUQTXWGMYQCC-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=CC(=O)c1ccc(OCCC)cc1 71500656 572157921 /nfs/dbraw/zinc/15/79/21/572157921.db2.gz JVSGPGAKRBNDBN-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C[C@H]1CCC[C@@]2(CC(=O)C=CO2)[C@@H]1C 82862291 572157989 /nfs/dbraw/zinc/15/79/89/572157989.db2.gz OLSCAEPRFZCQPD-HOSYDEDBSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@H]1CCC[C@](Cl)(C#N)[C@@H]1C 82861949 572158158 /nfs/dbraw/zinc/15/81/58/572158158.db2.gz DLGOLHKNGVYDKR-YIZRAAEISA-N 0 0 171.671 2.944 10 30 AFEERN C=CC(=O)c1cc(CC)ccc1OC 71500659 572158439 /nfs/dbraw/zinc/15/84/39/572158439.db2.gz VMXRYUWMBUVCFC-UHFFFAOYSA-N 0 0 190.242 2.626 10 30 AFEERN C#CCC[C@@]1(O)CCC[C@H](C)[C@H]1C 82861083 572158548 /nfs/dbraw/zinc/15/85/48/572158548.db2.gz TYBLSXCYZUYWGQ-QJPTWQEYSA-N 0 0 180.291 2.587 10 30 AFEERN C[C@H]1CCC[C@@](Cl)(C#N)[C@@H]1C 82861951 572158695 /nfs/dbraw/zinc/15/86/95/572158695.db2.gz DLGOLHKNGVYDKR-DJLDLDEBSA-N 0 0 171.671 2.944 10 30 AFEERN C#CCC[C@@]1(O)CCC[C@@H](C)[C@H]1C 82861082 572158895 /nfs/dbraw/zinc/15/88/95/572158895.db2.gz TYBLSXCYZUYWGQ-IJLUTSLNSA-N 0 0 180.291 2.587 10 30 AFEERN CC(C)(C)CC(C)(C)C=O 114404695 572158990 /nfs/dbraw/zinc/15/89/90/572158990.db2.gz BGLJFMQCDIJJSS-UHFFFAOYSA-N 0 0 142.242 2.648 10 30 AFEERN C=CC(=O)c1ccc(OC)c(CC)c1 71500658 572159015 /nfs/dbraw/zinc/15/90/15/572159015.db2.gz BSBPESUCUZQXBS-UHFFFAOYSA-N 0 0 190.242 2.626 10 30 AFEERN C[C@H]1CC[C@H](C)[C@]2(CC(=O)C=CO2)C1 82862285 572159100 /nfs/dbraw/zinc/15/91/00/572159100.db2.gz NBOTUYQTXDQKEZ-JBLDHEPKSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@H]1CC[C@@H](C)[C@]2(CC(=O)C=CO2)C1 82862287 572159162 /nfs/dbraw/zinc/15/91/62/572159162.db2.gz NBOTUYQTXDQKEZ-HOSYDEDBSA-N 0 0 194.274 2.684 10 30 AFEERN CO/N=C(\C)C1CCCCC1 35331684 572159839 /nfs/dbraw/zinc/15/98/39/572159839.db2.gz LAXCLCJQJGXRPZ-CSKARUKUSA-N 0 0 155.241 2.589 10 30 AFEERN CC(C)COc1ccc([C@H]2CO2)cc1 71506106 572161406 /nfs/dbraw/zinc/16/14/06/572161406.db2.gz WZUWHFUPMBJSEC-GFCCVEGCSA-N 0 0 192.258 2.793 10 30 AFEERN C=C[C@H](C)n1ccnc1CCC 69963883 572162122 /nfs/dbraw/zinc/16/21/22/572162122.db2.gz CPGCNPWJSMXWHB-VIFPVBQESA-N 0 0 164.252 2.583 10 30 AFEERN C=CC(=O)c1c(C)n(C)c2ccccc12 71507876 572162715 /nfs/dbraw/zinc/16/27/15/572162715.db2.gz VTIUFIXHZOUZKM-UHFFFAOYSA-N 0 0 199.253 2.855 10 30 AFEERN C=C(C)CC[C@H](O)[C@@H]1CCO[C@H]1CC 300392009 572163652 /nfs/dbraw/zinc/16/36/52/572163652.db2.gz YHZSWURRODYQHO-SRVKXCTJSA-N 0 0 198.306 2.519 10 30 AFEERN CCCc1nccn1[C@H](CC)CC#N 69964053 572163908 /nfs/dbraw/zinc/16/39/08/572163908.db2.gz PMINTBQYLHDUFY-SNVBAGLBSA-N 0 0 191.278 2.700 10 30 AFEERN C=CCCC[C@H](O)[C@H]1CCO[C@H]1CC 300392160 572164397 /nfs/dbraw/zinc/16/43/97/572164397.db2.gz YPSUQZPVDJILFV-WOPDTQHZSA-N 0 0 198.306 2.519 10 30 AFEERN C=CCCC[C@H](O)[C@@H]1CCO[C@H]1CC 300392158 572164723 /nfs/dbraw/zinc/16/47/23/572164723.db2.gz YPSUQZPVDJILFV-SRVKXCTJSA-N 0 0 198.306 2.519 10 30 AFEERN CCCc1nccn1[C@@H](CC)CC#N 69964050 572165146 /nfs/dbraw/zinc/16/51/46/572165146.db2.gz PMINTBQYLHDUFY-JTQLQIEISA-N 0 0 191.278 2.700 10 30 AFEERN C=CCCCCCC(=O)[C@H](C)OC 234750959 572168448 /nfs/dbraw/zinc/16/84/48/572168448.db2.gz CRCMFOGIAQCIGR-JTQLQIEISA-N 0 0 184.279 2.727 10 30 AFEERN C=C(C)CON[C@@H](C)c1cccs1 400983828 572168462 /nfs/dbraw/zinc/16/84/62/572168462.db2.gz LOELTZWRQKVABK-VIFPVBQESA-N 0 0 197.303 2.906 10 30 AFEERN CC(C)(C=O)COC1CCCCC1 113623856 572168910 /nfs/dbraw/zinc/16/89/10/572168910.db2.gz BBHZWGKQJPIQFO-UHFFFAOYSA-N 0 0 184.279 2.561 10 30 AFEERN CCC(CC)N=NCCCSC 393346711 572169659 /nfs/dbraw/zinc/16/96/59/572169659.db2.gz FEOQVPNYQGAAOW-UHFFFAOYSA-N 0 0 188.340 2.504 10 30 AFEERN C=C(C)CONCc1csc(C)c1 400989661 572170664 /nfs/dbraw/zinc/17/06/64/572170664.db2.gz OWGOIVMNRCZSET-UHFFFAOYSA-N 0 0 197.303 2.654 10 30 AFEERN CC[C@@H](C)ON=C(C)CC1CC1 393346459 572171437 /nfs/dbraw/zinc/17/14/37/572171437.db2.gz FDHXZVNGXARHCR-SECBINFHSA-N 0 0 169.268 2.978 10 30 AFEERN CC[C@H](C)ON=C(C)CC1CC1 393346460 572172609 /nfs/dbraw/zinc/17/26/09/572172609.db2.gz FDHXZVNGXARHCR-VIFPVBQESA-N 0 0 169.268 2.978 10 30 AFEERN CCCCC[C@@H]1O[C@H]1CC 19060422 572174630 /nfs/dbraw/zinc/17/46/30/572174630.db2.gz BRBFKTQUGYOOEX-IUCAKERBSA-N 0 0 142.242 2.744 10 30 AFEERN C=CCCCC(=O)c1ccccc1N 82924905 572176181 /nfs/dbraw/zinc/17/61/81/572176181.db2.gz GIBOZFREKNCAIO-UHFFFAOYSA-N 0 0 189.258 2.808 10 30 AFEERN CCCCC[C@H]1O[C@H]1CC 19060424 572176348 /nfs/dbraw/zinc/17/63/48/572176348.db2.gz BRBFKTQUGYOOEX-DTWKUNHWSA-N 0 0 142.242 2.744 10 30 AFEERN CCCCC[C@@H]1O[C@@H]1CC 19060417 572176352 /nfs/dbraw/zinc/17/63/52/572176352.db2.gz BRBFKTQUGYOOEX-BDAKNGLRSA-N 0 0 142.242 2.744 10 30 AFEERN CCCCC[C@H]1O[C@@H]1CC 19060420 572176662 /nfs/dbraw/zinc/17/66/62/572176662.db2.gz BRBFKTQUGYOOEX-RKDXNWHRSA-N 0 0 142.242 2.744 10 30 AFEERN C#C[C@H](Nc1ccccc1C#N)C(C)C 300961542 572176864 /nfs/dbraw/zinc/17/68/64/572176864.db2.gz RAQMLEACNFMKMA-LBPRGKRZSA-N 0 0 198.269 2.628 10 30 AFEERN C=CCCC[C@@H](O)c1ccccc1N 82925006 572177703 /nfs/dbraw/zinc/17/77/03/572177703.db2.gz ABXKBOCGDDHIGH-GFCCVEGCSA-N 0 0 191.274 2.659 10 30 AFEERN C=CCOC[C@H]1CCCCC1=C 112925632 572177945 /nfs/dbraw/zinc/17/79/45/572177945.db2.gz CIBNNJXCTYYJEK-LLVKDONJSA-N 0 0 166.264 2.935 10 30 AFEERN C=C(CC)C[C@H](O)c1cncc(C)c1 160908622 572178283 /nfs/dbraw/zinc/17/82/83/572178283.db2.gz IZWZCWUYYYLOQF-LBPRGKRZSA-N 0 0 191.274 2.780 10 30 AFEERN CCOc1ccc(CCS)cc1C 71507402 572178486 /nfs/dbraw/zinc/17/84/86/572178486.db2.gz QWYODHAIXXECHL-UHFFFAOYSA-N 0 0 196.315 2.866 10 30 AFEERN C=CCCC[C@H](O)c1ccccc1N 82925005 572178791 /nfs/dbraw/zinc/17/87/91/572178791.db2.gz ABXKBOCGDDHIGH-LBPRGKRZSA-N 0 0 191.274 2.659 10 30 AFEERN C#C[C@@H](Nc1ccccc1C#N)C(C)C 300961541 572179309 /nfs/dbraw/zinc/17/93/09/572179309.db2.gz RAQMLEACNFMKMA-GFCCVEGCSA-N 0 0 198.269 2.628 10 30 AFEERN CC(C)C[C@@]([NH3+])(CC#N)C(C)(C)C 84343852 572179521 /nfs/dbraw/zinc/17/95/21/572179521.db2.gz KMDWWAMNOAXRAS-NSHDSACASA-N 0 0 182.311 2.690 10 30 AFEERN C=CCOC[C@@H]1CCCCC1=C 112925630 572180294 /nfs/dbraw/zinc/18/02/94/572180294.db2.gz CIBNNJXCTYYJEK-NSHDSACASA-N 0 0 166.264 2.935 10 30 AFEERN CCOc1ccc(C)cc1/C(C)=N/O 35629137 572180495 /nfs/dbraw/zinc/18/04/95/572180495.db2.gz QGOWFOWDKDACIG-FMIVXFBMSA-N 0 0 193.246 2.592 10 30 AFEERN C#CCCC[C@@H](O)[C@H](C)CCCC 300962730 572180656 /nfs/dbraw/zinc/18/06/56/572180656.db2.gz QTDKMZSSAQCORS-VXGBXAGGSA-N 0 0 182.307 2.977 10 30 AFEERN C#CCCC[C@H](O)[C@H](C)CCCC 300962727 572180902 /nfs/dbraw/zinc/18/09/02/572180902.db2.gz QTDKMZSSAQCORS-NEPJUHHUSA-N 0 0 182.307 2.977 10 30 AFEERN CCc1ccc2[nH]cc(CC#N)c2c1 35635631 572181217 /nfs/dbraw/zinc/18/12/17/572181217.db2.gz CZUCIJXRSYGGAG-UHFFFAOYSA-N 0 0 184.242 2.796 10 30 AFEERN CCc1cccc2[nH]cc(CC#N)c12 35635625 572181846 /nfs/dbraw/zinc/18/18/46/572181846.db2.gz JRBRYVVLZZITSR-UHFFFAOYSA-N 0 0 184.242 2.796 10 30 AFEERN C[C@H]1C[C@H](C)C[NH+](CC(C)(C)C#N)C1 405191897 572184701 /nfs/dbraw/zinc/18/47/01/572184701.db2.gz SJWLKPUJSRHNCD-QWRGUYRKSA-N 0 0 194.322 2.514 10 30 AFEERN C[C@@H]1C[C@@H](C)C[NH+](CC(C)(C)C#N)C1 405191895 572184313 /nfs/dbraw/zinc/18/43/13/572184313.db2.gz SJWLKPUJSRHNCD-GHMZBOCLSA-N 0 0 194.322 2.514 10 30 AFEERN C=C(CC)C[C@@H](O)CCc1ccco1 160910452 572184781 /nfs/dbraw/zinc/18/47/81/572184781.db2.gz XWNHJULHHVCJAD-NSHDSACASA-N 0 0 194.274 2.929 10 30 AFEERN Cc1ccc(C)c(OCCS)c1 19421180 572184940 /nfs/dbraw/zinc/18/49/40/572184940.db2.gz XEBQWVFEYCMPMQ-UHFFFAOYSA-N 0 0 182.288 2.612 10 30 AFEERN Cc1cc(Cl)ccc1OCCC#N 19509337 572185516 /nfs/dbraw/zinc/18/55/16/572185516.db2.gz SDMYPNRNWBAOTG-UHFFFAOYSA-N 0 0 195.649 2.941 10 30 AFEERN CCCN(CC#N)C[C@H](C)CC(C)C 300966993 572186085 /nfs/dbraw/zinc/18/60/85/572186085.db2.gz RPEZPEBPGSLHNF-GFCCVEGCSA-N 0 0 196.338 2.904 10 30 AFEERN Cc1ccc(OCCC#N)cc1C 19486144 572186380 /nfs/dbraw/zinc/18/63/80/572186380.db2.gz PYAZXUXHBNPOND-UHFFFAOYSA-N 0 0 175.231 2.596 10 30 AFEERN Cc1[nH]c2cccc3c2c1C(=O)C=C3 35854977 572186431 /nfs/dbraw/zinc/18/64/31/572186431.db2.gz MDRJNORSPCLISA-UHFFFAOYSA-N 0 0 183.210 2.686 10 30 AFEERN Cc1ccc(NC2CC=CC2)c(C#N)c1 235883808 572186463 /nfs/dbraw/zinc/18/64/63/572186463.db2.gz UTVHOTRRMOJAFA-UHFFFAOYSA-N 0 0 198.269 2.997 10 30 AFEERN Cc1ccc(C)c(OCCCC#N)c1 19512566 572186510 /nfs/dbraw/zinc/18/65/10/572186510.db2.gz QVENJRXQSPULSM-UHFFFAOYSA-N 0 0 189.258 2.986 10 30 AFEERN C=CCCC(=O)[C@@H]1Cc2ccccc21 83120338 572186601 /nfs/dbraw/zinc/18/66/01/572186601.db2.gz UTLVPXXEYWLDAC-GFCCVEGCSA-N 0 0 186.254 2.862 10 30 AFEERN C=CCCC[C@@H]1CC[C@H](O)[C@@H]1C 83036266 572186622 /nfs/dbraw/zinc/18/66/22/572186622.db2.gz DGNOOHDTINJPCF-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN CCN(CC)[C@@](C#N)(CC)C(C)C 37755150 572187220 /nfs/dbraw/zinc/18/72/20/572187220.db2.gz WGEWAGQKEJOHQS-LLVKDONJSA-N 0 0 182.311 2.657 10 30 AFEERN CCC1=C(C)C(=O)[C@@H](C)CC1 35904546 572186916 /nfs/dbraw/zinc/18/69/16/572186916.db2.gz XXILGRGDNMUPHQ-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCCC[C@H]1CC[C@H](O)[C@H]1C 83036271 572187227 /nfs/dbraw/zinc/18/72/27/572187227.db2.gz DGNOOHDTINJPCF-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN CCN(CC)[C@](C#N)(CC)C(C)C 37755151 572187595 /nfs/dbraw/zinc/18/75/95/572187595.db2.gz WGEWAGQKEJOHQS-NSHDSACASA-N 0 0 182.311 2.657 10 30 AFEERN C=CCCC(=O)[C@H]1Cc2ccccc21 83120339 572188112 /nfs/dbraw/zinc/18/81/12/572188112.db2.gz UTLVPXXEYWLDAC-LBPRGKRZSA-N 0 0 186.254 2.862 10 30 AFEERN Cc1cc(C)c(C(=O)CC#N)c(C)c1 19518834 572187616 /nfs/dbraw/zinc/18/76/16/572187616.db2.gz HYAIHHYAUVGHGE-UHFFFAOYSA-N 0 0 187.242 2.708 10 30 AFEERN C=CCCC[C@@H]1CC[C@H](O)[C@H]1C 83036268 572188094 /nfs/dbraw/zinc/18/80/94/572188094.db2.gz DGNOOHDTINJPCF-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@@H]1CCC(C)=CC(=O)C1 35975633 572188520 /nfs/dbraw/zinc/18/85/20/572188520.db2.gz KMGRIBMQANIPJC-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN Cc1cc(N=[N+]=[N-])c(C=O)s1 35986278 572188583 /nfs/dbraw/zinc/18/85/83/572188583.db2.gz ABCMHCCGKZAYIR-UHFFFAOYSA-N 0 0 167.193 2.811 10 30 AFEERN CCCCCCC[S@](=O)CC 226179181 572188616 /nfs/dbraw/zinc/18/86/16/572188616.db2.gz CMRFHZBAUMQHMA-LLVKDONJSA-N 0 0 176.325 2.725 10 30 AFEERN CC(=O)C(=C(C)C)C(C)C 35962185 572188628 /nfs/dbraw/zinc/18/86/28/572188628.db2.gz KSGVWMZWUZRMGN-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@@H](O)C1=C(C)C[C@H]2[C@@H]1C2(C)C 35975827 572188633 /nfs/dbraw/zinc/18/86/33/572188633.db2.gz RAIVLMOSXRVIKU-UMNHJUIQSA-N 0 0 192.302 2.916 10 30 AFEERN CCN(CC)[C@H](C#N)[C@H](C)CC(C)C 300969247 572189835 /nfs/dbraw/zinc/18/98/35/572189835.db2.gz RWMNCABSSLQUOB-VXGBXAGGSA-N 0 0 196.338 2.903 10 30 AFEERN C#CCCC(=O)[C@H](C)CCCC 300969478 572190074 /nfs/dbraw/zinc/19/00/74/572190074.db2.gz RSUQXHRCJSRPRE-SNVBAGLBSA-N 0 0 166.264 2.795 10 30 AFEERN C=C[C@@H]1CC(=O)C(C)=CC1(C)C 35986271 572190117 /nfs/dbraw/zinc/19/01/17/572190117.db2.gz DABWZJNQPQGKBA-SECBINFHSA-N 0 0 164.248 2.734 10 30 AFEERN CO[C@@H]1CCC[C@@H]1C1(C=O)CCCC1 35940137 572190311 /nfs/dbraw/zinc/19/03/11/572190311.db2.gz WIZBNULYKFYLMF-WDEREUQCSA-N 0 0 196.290 2.561 10 30 AFEERN CCN(CC)[C@H](C#N)[C@@H](C)CC(C)C 300969242 572190425 /nfs/dbraw/zinc/19/04/25/572190425.db2.gz RWMNCABSSLQUOB-NWDGAFQWSA-N 0 0 196.338 2.903 10 30 AFEERN C=C[C@H]1CC(=O)C(C)=CC1(C)C 35986272 572190347 /nfs/dbraw/zinc/19/03/47/572190347.db2.gz DABWZJNQPQGKBA-VIFPVBQESA-N 0 0 164.248 2.734 10 30 AFEERN CCN(CC)[C@@H](C#N)[C@@H](C)CC(C)C 300969245 572190464 /nfs/dbraw/zinc/19/04/64/572190464.db2.gz RWMNCABSSLQUOB-RYUDHWBXSA-N 0 0 196.338 2.903 10 30 AFEERN O=CCCC#Cc1ccc(Cl)cc1 35940112 572190510 /nfs/dbraw/zinc/19/05/10/572190510.db2.gz BTTLDYHIQBFKAY-UHFFFAOYSA-N 0 0 192.645 2.671 10 30 AFEERN C=C(C)CONC(C(C)C)C(C)C 401005172 572190926 /nfs/dbraw/zinc/19/09/26/572190926.db2.gz YAKACGJUWNCWFL-UHFFFAOYSA-N 0 0 185.311 2.764 10 30 AFEERN C=C(C)[C@H]([NH2+]C)c1ccoc1Cl 234403397 572191616 /nfs/dbraw/zinc/19/16/16/572191616.db2.gz UAVLCVXHCAYIJZ-QMMMGPOBSA-N 0 0 185.654 2.770 10 30 AFEERN C=CC[C@](O)(CC)CCC 220972987 572192148 /nfs/dbraw/zinc/19/21/48/572192148.db2.gz QSGLPKZZNUDQAG-SECBINFHSA-N 0 0 142.242 2.504 10 30 AFEERN CC[C@](C#N)(NC1CCCC1)C1CC1 83057648 572192571 /nfs/dbraw/zinc/19/25/71/572192571.db2.gz DJXTYJPTGYUDDZ-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@@](C#N)(NC1CCCC1)C1CC1 83057650 572193055 /nfs/dbraw/zinc/19/30/55/572193055.db2.gz DJXTYJPTGYUDDZ-LBPRGKRZSA-N 0 0 192.306 2.601 10 30 AFEERN N#CCc1ccc2c(Cl)c[nH]c2c1 214614963 572193126 /nfs/dbraw/zinc/19/31/26/572193126.db2.gz QUXKBVWLDKQUHT-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN CC[C@@H](C#N)N(CCC(C)C)C1CC1 109493748 572193360 /nfs/dbraw/zinc/19/33/60/572193360.db2.gz BPXXMVUTDYPWCL-NSHDSACASA-N 0 0 194.322 2.799 10 30 AFEERN CCCN(CC#N)[C@@H]1CCC[C@H](C)C1 70203835 572193714 /nfs/dbraw/zinc/19/37/14/572193714.db2.gz SEEIDJVVGNDZHM-NWDGAFQWSA-N 0 0 194.322 2.801 10 30 AFEERN N#CCc1ccc2[nH]cc(Cl)c2c1 214614892 572193842 /nfs/dbraw/zinc/19/38/42/572193842.db2.gz RUEMETQFHQFAQF-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN CC[C@H](C#N)N(CCC(C)C)C1CC1 109493750 572193909 /nfs/dbraw/zinc/19/39/09/572193909.db2.gz BPXXMVUTDYPWCL-LLVKDONJSA-N 0 0 194.322 2.799 10 30 AFEERN N#CCc1cccc2c(Cl)c[nH]c12 214615050 572194497 /nfs/dbraw/zinc/19/44/97/572194497.db2.gz JOJVCTOOZFPLJS-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN O=CCCOCC1CCCCCC1 300972652 572194638 /nfs/dbraw/zinc/19/46/38/572194638.db2.gz SFZAALDACFQKLJ-UHFFFAOYSA-N 0 0 184.279 2.562 10 30 AFEERN C=CCCOc1ccccc1[C@@H](C)O 70203390 572194849 /nfs/dbraw/zinc/19/48/49/572194849.db2.gz YZOJQPDTLVDYBW-SNVBAGLBSA-N 0 0 192.258 2.695 10 30 AFEERN C=CCCOc1ccccc1[C@H](C)O 70203388 572194865 /nfs/dbraw/zinc/19/48/65/572194865.db2.gz YZOJQPDTLVDYBW-JTQLQIEISA-N 0 0 192.258 2.695 10 30 AFEERN N#CCc1cc2[nH]ccc2cc1Cl 214615524 572194870 /nfs/dbraw/zinc/19/48/70/572194870.db2.gz KBZGADKFJSKANK-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN N#CCc1cc2cccc(Cl)c2[nH]1 214615125 572194889 /nfs/dbraw/zinc/19/48/89/572194889.db2.gz MPWBPLNNXYBPLR-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN N#CCc1cc2c(Cl)cccc2[nH]1 214615291 572195475 /nfs/dbraw/zinc/19/54/75/572195475.db2.gz HDCMIGNDJPUMTF-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN N#CCc1cc(Cl)c2cc[nH]c2c1 214615367 572195532 /nfs/dbraw/zinc/19/55/32/572195532.db2.gz SWQWUXOKWJPDQY-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN CCCN(CC#N)[C@H]1CCC[C@H](C)C1 70203837 572195700 /nfs/dbraw/zinc/19/57/00/572195700.db2.gz SEEIDJVVGNDZHM-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN Cc1cc([C@@H](C)C#N)ccc1F 19728862 572196353 /nfs/dbraw/zinc/19/63/53/572196353.db2.gz YBNNFVAKUCXQAU-QMMMGPOBSA-N 0 0 163.195 2.761 10 30 AFEERN CC[C@@H](C#N)Nc1ccc(F)c(F)c1 43539254 572196410 /nfs/dbraw/zinc/19/64/10/572196410.db2.gz IEEROKBBQIBKAH-ZETCQYMHSA-N 0 0 196.200 2.679 10 30 AFEERN CC[C@H](C#N)N1CCCCCCC1 43556176 572196392 /nfs/dbraw/zinc/19/63/92/572196392.db2.gz WRZRHWDWPUZVQY-LLVKDONJSA-N 0 0 180.295 2.555 10 30 AFEERN CC[C@@H](C#N)Nc1cc(C)ccc1F 43539554 572196417 /nfs/dbraw/zinc/19/64/17/572196417.db2.gz WTONHSQOFRIJCY-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN CCc1ccc([C@@H](C)C#N)cc1 19728846 572196726 /nfs/dbraw/zinc/19/67/26/572196726.db2.gz ZGHYMWHUAWSZDY-VIFPVBQESA-N 0 0 159.232 2.876 10 30 AFEERN C=CCC[C@@H](O)[C@H]1Cc2ccccc21 83121214 572196663 /nfs/dbraw/zinc/19/66/63/572196663.db2.gz RRMMAHKMQNIPID-QWHCGFSZSA-N 0 0 188.270 2.653 10 30 AFEERN Cc1ccc(C)c([C@@H](C)C#N)c1 19728854 572196691 /nfs/dbraw/zinc/19/66/91/572196691.db2.gz PCGKUSWTVXRUDN-JTQLQIEISA-N 0 0 159.232 2.931 10 30 AFEERN CCc1ccc(N[C@@H](C#N)CC)cc1 43539299 572196692 /nfs/dbraw/zinc/19/66/92/572196692.db2.gz LQFRUAKMGZUNEO-LLVKDONJSA-N 0 0 188.274 2.963 10 30 AFEERN Cc1ccc(C)c([C@]2(C)CO2)c1 19729131 572196695 /nfs/dbraw/zinc/19/66/95/572196695.db2.gz JDBFHFLZNQJZHI-NSHDSACASA-N 0 0 162.232 2.549 10 30 AFEERN C=CCCC[C@H](O)C1CCC1 83120846 572196801 /nfs/dbraw/zinc/19/68/01/572196801.db2.gz ZJFHEMJDLFFHIA-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN CCCC[C@H](C)C(=O)[C@H](C)C#N 300972403 572196862 /nfs/dbraw/zinc/19/68/62/572196862.db2.gz SEEMNSFOQDHRKU-DTWKUNHWSA-N 0 0 167.252 2.541 10 30 AFEERN Cc1ccc([C@H](C)C#N)cc1C 19728853 572197181 /nfs/dbraw/zinc/19/71/81/572197181.db2.gz YLCFCVZONWUKMC-SNVBAGLBSA-N 0 0 159.232 2.931 10 30 AFEERN CC[C@@H](C#N)Nc1c(F)cccc1F 43539586 572196988 /nfs/dbraw/zinc/19/69/88/572196988.db2.gz TXZMUEYJKBQERG-ZETCQYMHSA-N 0 0 196.200 2.679 10 30 AFEERN N#CC1(CCC[C@H]2CCOC2)CCC1 401018030 572197123 /nfs/dbraw/zinc/19/71/23/572197123.db2.gz VSHNKEWEQOZZIL-NSHDSACASA-N 0 0 193.290 2.887 10 30 AFEERN Cc1ccc([C@@]2(C)CO2)cc1C 19729128 572197163 /nfs/dbraw/zinc/19/71/63/572197163.db2.gz FHQAYIFKYCZMNI-LLVKDONJSA-N 0 0 162.232 2.549 10 30 AFEERN CCc1ccc(N[C@H](C#N)CC)cc1 43539298 572197308 /nfs/dbraw/zinc/19/73/08/572197308.db2.gz LQFRUAKMGZUNEO-NSHDSACASA-N 0 0 188.274 2.963 10 30 AFEERN CC[C@H](C#N)c1ccc(F)cc1 19728891 572197524 /nfs/dbraw/zinc/19/75/24/572197524.db2.gz AUEFELYBECJLIV-MRVPVSSYSA-N 0 0 163.195 2.843 10 30 AFEERN CC[C@H](C#N)N(C)C1CCCCC1 43556088 572197606 /nfs/dbraw/zinc/19/76/06/572197606.db2.gz SDDXMOQIDIAGRK-SNVBAGLBSA-N 0 0 180.295 2.553 10 30 AFEERN C=CCC[C@@H](O)[C@@H]1Cc2ccccc21 83121211 572197900 /nfs/dbraw/zinc/19/79/00/572197900.db2.gz RRMMAHKMQNIPID-CHWSQXEVSA-N 0 0 188.270 2.653 10 30 AFEERN CC[C@H](C#N)Nc1cc(C)ccc1F 43539555 572198032 /nfs/dbraw/zinc/19/80/32/572198032.db2.gz WTONHSQOFRIJCY-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN CCCC[C@@H](C)C(=O)[C@H](C)C#N 300972409 572198173 /nfs/dbraw/zinc/19/81/73/572198173.db2.gz SEEMNSFOQDHRKU-RKDXNWHRSA-N 0 0 167.252 2.541 10 30 AFEERN CC[C@@H](C#N)Nc1ccc(F)cc1F 43539290 572198287 /nfs/dbraw/zinc/19/82/87/572198287.db2.gz VFKLSPXOVYEEHB-QMMMGPOBSA-N 0 0 196.200 2.679 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CCC[C@H](C)[C@@H]1C 43539369 572198311 /nfs/dbraw/zinc/19/83/11/572198311.db2.gz ZGCDGHRYAMJZNZ-NNYUYHANSA-N 0 0 194.322 2.703 10 30 AFEERN C=CCC[C@H](O)[C@H]1Cc2ccccc21 83121212 572198343 /nfs/dbraw/zinc/19/83/43/572198343.db2.gz RRMMAHKMQNIPID-STQMWFEESA-N 0 0 188.270 2.653 10 30 AFEERN C=CCC[C@H](O)[C@@H]1Cc2ccccc21 83121209 572198352 /nfs/dbraw/zinc/19/83/52/572198352.db2.gz RRMMAHKMQNIPID-OLZOCXBDSA-N 0 0 188.270 2.653 10 30 AFEERN C=CCCC[C@@H](O)C1CCC1 83120848 572198444 /nfs/dbraw/zinc/19/84/44/572198444.db2.gz ZJFHEMJDLFFHIA-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C#CC(C)(C)Nc1ccc(C#N)cc1C 69682347 572198551 /nfs/dbraw/zinc/19/85/51/572198551.db2.gz DETOXJRZIHBPQV-UHFFFAOYSA-N 0 0 198.269 2.690 10 30 AFEERN CC[C@@H](C#N)N(C)C1CCCCC1 43556086 572198598 /nfs/dbraw/zinc/19/85/98/572198598.db2.gz SDDXMOQIDIAGRK-JTQLQIEISA-N 0 0 180.295 2.553 10 30 AFEERN CC[C@H](C#N)Nc1cccc(F)c1F 43540752 572198687 /nfs/dbraw/zinc/19/86/87/572198687.db2.gz FCFACHIBGCWKSI-SSDOTTSWSA-N 0 0 196.200 2.679 10 30 AFEERN Cc1ccc(C)c([C@H](C)C#N)c1 19728855 572198958 /nfs/dbraw/zinc/19/89/58/572198958.db2.gz PCGKUSWTVXRUDN-SNVBAGLBSA-N 0 0 159.232 2.931 10 30 AFEERN Cc1ccc(CCC#N)c(C)c1 36203714 572198973 /nfs/dbraw/zinc/19/89/73/572198973.db2.gz SMXDDSKXHHKCKT-UHFFFAOYSA-N 0 0 159.232 2.760 10 30 AFEERN CCCC[C@@H](C)C(=O)[C@@H](C)C#N 300972399 572199077 /nfs/dbraw/zinc/19/90/77/572199077.db2.gz SEEMNSFOQDHRKU-BDAKNGLRSA-N 0 0 167.252 2.541 10 30 AFEERN CC[C@H](C#N)O[C@H]1CCC[C@H](C)C1 43557251 572199193 /nfs/dbraw/zinc/19/91/93/572199193.db2.gz JKNXMVWSEQIBGO-AXFHLTTASA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@H](C#N)Oc1cc(C)cc(C)c1 43557019 572199231 /nfs/dbraw/zinc/19/92/31/572199231.db2.gz OPEOPXXAUSQMDH-LLVKDONJSA-N 0 0 189.258 2.984 10 30 AFEERN CC[C@H](C#N)Oc1ccc(C)cc1C 43556958 572199301 /nfs/dbraw/zinc/19/93/01/572199301.db2.gz LHBTWELZBDDBCI-LLVKDONJSA-N 0 0 189.258 2.984 10 30 AFEERN CCCC[C@H](C)C(=O)[C@@H](C)C#N 300972406 572199306 /nfs/dbraw/zinc/19/93/06/572199306.db2.gz SEEMNSFOQDHRKU-IUCAKERBSA-N 0 0 167.252 2.541 10 30 AFEERN CC[C@](C)(C#N)C1(O)CC(C(C)C)C1 234091188 572199384 /nfs/dbraw/zinc/19/93/84/572199384.db2.gz AIEMPZFXBFXIKD-MOENNCHZSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@H](C#N)Oc1cccc(C)c1C 43556977 572199589 /nfs/dbraw/zinc/19/95/89/572199589.db2.gz JKJOWHJSEJMYLH-LLVKDONJSA-N 0 0 189.258 2.984 10 30 AFEERN CC[C@@H](C#N)Oc1cccc(C)c1C 43556975 572199676 /nfs/dbraw/zinc/19/96/76/572199676.db2.gz JKJOWHJSEJMYLH-NSHDSACASA-N 0 0 189.258 2.984 10 30 AFEERN CC[C@H](C)S[C@@H](C#N)CC 43557596 572199690 /nfs/dbraw/zinc/19/96/90/572199690.db2.gz ZLSNVXQDMOYWDX-JGVFFNPUSA-N 0 0 157.282 2.820 10 30 AFEERN CC[C@@H](C#N)Oc1ccc(F)cc1 43557027 572199896 /nfs/dbraw/zinc/19/98/96/572199896.db2.gz AJDIHENNMZNQTL-VIFPVBQESA-N 0 0 179.194 2.507 10 30 AFEERN SCc1cc2ccccc2o1 39136406 572199905 /nfs/dbraw/zinc/19/99/05/572199905.db2.gz YZEMYQZIRRDCBF-UHFFFAOYSA-N 0 0 164.229 2.863 10 30 AFEERN CC[C@H](C)S[C@H](C#N)CC 43557592 572199911 /nfs/dbraw/zinc/19/99/11/572199911.db2.gz ZLSNVXQDMOYWDX-YUMQZZPRSA-N 0 0 157.282 2.820 10 30 AFEERN CC[C@@H](C#N)Oc1ccc(F)cc1F 43556934 572199924 /nfs/dbraw/zinc/19/99/24/572199924.db2.gz SWBCGELZFOHAQN-QMMMGPOBSA-N 0 0 197.184 2.646 10 30 AFEERN CC[C@H](C#N)Oc1ccc(F)c(F)c1 43557323 572199938 /nfs/dbraw/zinc/19/99/38/572199938.db2.gz GBVLWVGYPXPBKL-SSDOTTSWSA-N 0 0 197.184 2.646 10 30 AFEERN CC[C@@H](C)S[C@@H](C#N)CC 43557594 572200023 /nfs/dbraw/zinc/20/00/23/572200023.db2.gz ZLSNVXQDMOYWDX-HTQZYQBOSA-N 0 0 157.282 2.820 10 30 AFEERN CC[C@H](C#N)Oc1ccc(F)cc1 43557028 572200104 /nfs/dbraw/zinc/20/01/04/572200104.db2.gz AJDIHENNMZNQTL-SECBINFHSA-N 0 0 179.194 2.507 10 30 AFEERN CC[C@H](C#N)O[C@@H]1CCC[C@H](C)C1 43557248 572200137 /nfs/dbraw/zinc/20/01/37/572200137.db2.gz JKNXMVWSEQIBGO-HBNTYKKESA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@@H](C#N)Oc1cccc(F)c1 43557043 572200153 /nfs/dbraw/zinc/20/01/53/572200153.db2.gz ANDSFHZZCMHCFW-VIFPVBQESA-N 0 0 179.194 2.507 10 30 AFEERN CC[C@@H](C#N)Oc1ccc(C)cc1C 43556956 572200157 /nfs/dbraw/zinc/20/01/57/572200157.db2.gz LHBTWELZBDDBCI-NSHDSACASA-N 0 0 189.258 2.984 10 30 AFEERN CC[C@H](C#N)Oc1cccc(F)c1 43557044 572200267 /nfs/dbraw/zinc/20/02/67/572200267.db2.gz ANDSFHZZCMHCFW-SECBINFHSA-N 0 0 179.194 2.507 10 30 AFEERN CC[C@@H](C#N)Oc1ccc(C)cc1 43557102 572200328 /nfs/dbraw/zinc/20/03/28/572200328.db2.gz WNHMKEUWMRZVCQ-JTQLQIEISA-N 0 0 175.231 2.676 10 30 AFEERN C=C(C)/C=C/[C@@H]1CCCC(=O)C1 140328523 572200332 /nfs/dbraw/zinc/20/03/32/572200332.db2.gz YVYHNJZWZAEUGY-FGEFZZPRSA-N 0 0 164.248 2.878 10 30 AFEERN CC[C@@H](C#N)Oc1cccc(C)c1 43557020 572200439 /nfs/dbraw/zinc/20/04/39/572200439.db2.gz BGVAAWFKAILYLQ-JTQLQIEISA-N 0 0 175.231 2.676 10 30 AFEERN CCc1cccc(O[C@H](C#N)CC)c1 43557148 572200611 /nfs/dbraw/zinc/20/06/11/572200611.db2.gz KDESFYIQNRIKJN-NSHDSACASA-N 0 0 189.258 2.930 10 30 AFEERN CC[C@H](C#N)Oc1ccc(F)cc1F 43556936 572200622 /nfs/dbraw/zinc/20/06/22/572200622.db2.gz SWBCGELZFOHAQN-MRVPVSSYSA-N 0 0 197.184 2.646 10 30 AFEERN CC[C@H](C#N)OCc1ccccc1 43556918 572200666 /nfs/dbraw/zinc/20/06/66/572200666.db2.gz SCZOFXXLMOASEI-LLVKDONJSA-N 0 0 175.231 2.505 10 30 AFEERN CC[C@@H](C#N)S[C@H](C)CC 43557590 572200691 /nfs/dbraw/zinc/20/06/91/572200691.db2.gz ZLSNVXQDMOYWDX-SFYZADRCSA-N 0 0 157.282 2.820 10 30 AFEERN CC[C@H](C#N)Oc1cccc(C)c1 43557022 572200704 /nfs/dbraw/zinc/20/07/04/572200704.db2.gz BGVAAWFKAILYLQ-SNVBAGLBSA-N 0 0 175.231 2.676 10 30 AFEERN CC[C@@H](C#N)n1cnc2ccccc21 43556874 572200764 /nfs/dbraw/zinc/20/07/64/572200764.db2.gz IHBSPRHYKAFQCJ-VIFPVBQESA-N 0 0 185.230 2.511 10 30 AFEERN CC[C@H](C#N)Oc1ccc(C)cc1 43557103 572200787 /nfs/dbraw/zinc/20/07/87/572200787.db2.gz WNHMKEUWMRZVCQ-SNVBAGLBSA-N 0 0 175.231 2.676 10 30 AFEERN C=CCN(C(=O)OCC)C1CCCC1 70227422 572201018 /nfs/dbraw/zinc/20/10/18/572201018.db2.gz IFKKFOMLWOFXMK-UHFFFAOYSA-N 0 0 197.278 2.574 10 30 AFEERN CCCCS[C@H](C#N)CC 43557664 572201113 /nfs/dbraw/zinc/20/11/13/572201113.db2.gz DWUIONKHXBOUFA-QMMMGPOBSA-N 0 0 157.282 2.822 10 30 AFEERN CC[C@H](C#N)n1cnc2ccccc21 43556876 572201150 /nfs/dbraw/zinc/20/11/50/572201150.db2.gz IHBSPRHYKAFQCJ-SECBINFHSA-N 0 0 185.230 2.511 10 30 AFEERN C=C(C)[C@H](NC)c1ncccc1Cl 234403576 572201208 /nfs/dbraw/zinc/20/12/08/572201208.db2.gz BMFKILDKYGENHM-VIFPVBQESA-N 0 0 196.681 2.572 10 30 AFEERN C=CCN(C(=O)C(C)C)C1CCCC1 70227282 572201412 /nfs/dbraw/zinc/20/14/12/572201412.db2.gz RDODBRZYORXFQO-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN CCC1CCC(N(CC)CC#N)CC1 70236039 572203076 /nfs/dbraw/zinc/20/30/76/572203076.db2.gz OVKKHWRMQIJNAC-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@H](C)SCCCC#N 19870155 572203127 /nfs/dbraw/zinc/20/31/27/572203127.db2.gz RDPUQSWBHUYQHI-MRVPVSSYSA-N 0 0 157.282 2.822 10 30 AFEERN C=CC(C)(C)C(C)(C)/C=C\CO 393351620 572204798 /nfs/dbraw/zinc/20/47/98/572204798.db2.gz WJAFAJXPQMADMU-FPLPWBNLSA-N 0 0 168.280 2.773 10 30 AFEERN Cc1ccc(SC[C@@H]2CO2)cc1C 19863895 572203548 /nfs/dbraw/zinc/20/35/48/572203548.db2.gz XNWSFUBJPZMFJW-JTQLQIEISA-N 0 0 194.299 2.794 10 30 AFEERN CC[C@@H](C)Nc1cccc(C#N)c1 19922376 572204029 /nfs/dbraw/zinc/20/40/29/572204029.db2.gz JCQKTKCFRJDEAU-SECBINFHSA-N 0 0 174.247 2.769 10 30 AFEERN CCCN(CC#N)C1CCC(C)CC1 70236036 572204131 /nfs/dbraw/zinc/20/41/31/572204131.db2.gz BNQZYEASMPCINY-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN C#CCN(CCCC)c1ccccc1 70225139 572204190 /nfs/dbraw/zinc/20/41/90/572204190.db2.gz PDZHFGHBTJALSX-UHFFFAOYSA-N 0 0 187.286 2.926 10 30 AFEERN CCCCN(CC#N)c1ccccc1 70225164 572204268 /nfs/dbraw/zinc/20/42/68/572204268.db2.gz RBJOAFJNAUFLLB-UHFFFAOYSA-N 0 0 188.274 2.817 10 30 AFEERN Nc1ccc(C#CC2CCCC2)cc1 140336324 572204407 /nfs/dbraw/zinc/20/44/07/572204407.db2.gz CNNUDBRCVZITDX-UHFFFAOYSA-N 0 0 185.270 2.811 10 30 AFEERN Cc1ccc(C)c(SC[C@@H]2CO2)c1 19863925 572204466 /nfs/dbraw/zinc/20/44/66/572204466.db2.gz FUWIRDLQMHJIGT-JTQLQIEISA-N 0 0 194.299 2.794 10 30 AFEERN CC[C@H](C)SCCCC#N 19870156 572204467 /nfs/dbraw/zinc/20/44/67/572204467.db2.gz RDPUQSWBHUYQHI-QMMMGPOBSA-N 0 0 157.282 2.822 10 30 AFEERN Cc1ccc(C)c(SC[C@H]2CO2)c1 19863928 572204482 /nfs/dbraw/zinc/20/44/82/572204482.db2.gz FUWIRDLQMHJIGT-SNVBAGLBSA-N 0 0 194.299 2.794 10 30 AFEERN C=C(Cl)COC(=O)C(F)=C(C)C 393351681 572205044 /nfs/dbraw/zinc/20/50/44/572205044.db2.gz WWIDULXHAGHBST-UHFFFAOYSA-N 0 0 192.617 2.546 10 30 AFEERN Cc1ccc(SC[C@H]2CO2)c(C)c1 19863841 572205140 /nfs/dbraw/zinc/20/51/40/572205140.db2.gz SDCGEJVVQVWDBS-SNVBAGLBSA-N 0 0 194.299 2.794 10 30 AFEERN CC[C@H](C)Nc1cccc(C#N)c1 19922379 572205446 /nfs/dbraw/zinc/20/54/46/572205446.db2.gz JCQKTKCFRJDEAU-VIFPVBQESA-N 0 0 174.247 2.769 10 30 AFEERN Cc1ccc(SC[C@H]2CO2)cc1C 19863896 572205537 /nfs/dbraw/zinc/20/55/37/572205537.db2.gz XNWSFUBJPZMFJW-SNVBAGLBSA-N 0 0 194.299 2.794 10 30 AFEERN CCC[C@@H](C#N)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1 251302881 572205610 /nfs/dbraw/zinc/20/56/10/572205610.db2.gz JFWJNGMGLZDLLY-MMWGEVLESA-N 0 0 191.274 2.541 10 30 AFEERN CCCCCN[C@@H](C#N)c1ccco1 19984838 572206656 /nfs/dbraw/zinc/20/66/56/572206656.db2.gz RTYORSLLPCWNPT-JTQLQIEISA-N 0 0 192.262 2.624 10 30 AFEERN CC1(C)CC=C[C@@](C)(CC=O)C1 36404273 572205970 /nfs/dbraw/zinc/20/59/70/572205970.db2.gz RCYWRNPBCCKPEJ-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccc([C@@H](C#N)NC(C)C)cc1 19987989 572206543 /nfs/dbraw/zinc/20/65/43/572206543.db2.gz PLQYWWOFFRBWHC-GFCCVEGCSA-N 0 0 188.274 2.558 10 30 AFEERN CCCCCN[C@H](C#N)c1ccco1 19984842 572207592 /nfs/dbraw/zinc/20/75/92/572207592.db2.gz RTYORSLLPCWNPT-SNVBAGLBSA-N 0 0 192.262 2.624 10 30 AFEERN CC1(C)CC=C[C@](C)(CC=O)C1 36404275 572207012 /nfs/dbraw/zinc/20/70/12/572207012.db2.gz RCYWRNPBCCKPEJ-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC2=C(CCC1)C(=O)CC2 36419838 572207446 /nfs/dbraw/zinc/20/74/46/572207446.db2.gz NDPNIGGVJDIQGM-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN C[C@@H]1CC[C@H]2C1=CC(=O)C2(C)C 36419856 572207741 /nfs/dbraw/zinc/20/77/41/572207741.db2.gz UXPYEFDYJFGXBJ-APPZFPTMSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cccc([C@@H](C#N)NC(C)C)c1 19987574 572208080 /nfs/dbraw/zinc/20/80/80/572208080.db2.gz KQSZJGZWOOOBJA-GFCCVEGCSA-N 0 0 188.274 2.558 10 30 AFEERN CCc1ccccc1OC(C)(C)C=O 387490720 572208243 /nfs/dbraw/zinc/20/82/43/572208243.db2.gz YYSMSTSEBMPBKT-UHFFFAOYSA-N 0 0 192.258 2.605 10 30 AFEERN O=C1C=CC[C@@H]1C[C@@H]1C=CCCC1 36438125 572208603 /nfs/dbraw/zinc/20/86/03/572208603.db2.gz BLEXDWXZAKSRQC-GHMZBOCLSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(CC)C(=O)c1ccccc1 36436853 572208851 /nfs/dbraw/zinc/20/88/51/572208851.db2.gz MUPSPIPPEPGJEY-UHFFFAOYSA-N 0 0 160.216 2.836 10 30 AFEERN CC1=CC[C@]2(C)C=CC(=O)C[C@H]2C1 36438129 572209075 /nfs/dbraw/zinc/20/90/75/572209075.db2.gz QYLWAPKDKHSKPV-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1CCC2(C=CC(=O)C2)CC1 36436867 572209077 /nfs/dbraw/zinc/20/90/77/572209077.db2.gz NNUXOOBHVCTXCZ-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN CCCCC1=C(C)C(=O)CC1 36437693 572209020 /nfs/dbraw/zinc/20/90/20/572209020.db2.gz LNRXJLKDTCWCEI-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CC1=CC[C@]2(C=CC(=O)C2)CC1 36437801 572209256 /nfs/dbraw/zinc/20/92/56/572209256.db2.gz REIIZKBYZPVOAT-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN CCC[C@H](C)C[C@H](C)C=O 36447840 572209289 /nfs/dbraw/zinc/20/92/89/572209289.db2.gz OSRWYVAHHIGPEA-IUCAKERBSA-N 0 0 142.242 2.648 10 30 AFEERN Cc1ccc(Cl)cc1NCC#N 20033129 572209309 /nfs/dbraw/zinc/20/93/09/572209309.db2.gz GXGOJKYQHPVKAA-UHFFFAOYSA-N 0 0 180.638 2.584 10 30 AFEERN CC1=CC[C@@]2(C=CC(=O)C2)CC1 36437800 572209311 /nfs/dbraw/zinc/20/93/11/572209311.db2.gz REIIZKBYZPVOAT-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN O=C1C=CC[C@H]1C[C@@H]1C=CCCC1 36438124 572209338 /nfs/dbraw/zinc/20/93/38/572209338.db2.gz BLEXDWXZAKSRQC-MNOVXSKESA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@]1(C=O)CCC(C)=C(C)C1 140382575 572209398 /nfs/dbraw/zinc/20/93/98/572209398.db2.gz XCMZINPUSVLPQO-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CC1=C(CC#N)C(C)(C)[C@@H](C=O)CC1 36420288 572209410 /nfs/dbraw/zinc/20/94/10/572209410.db2.gz MWJLOAHWIXYOLW-SNVBAGLBSA-N 0 0 191.274 2.852 10 30 AFEERN C=C[C@]1(C=O)CCC(C)=C(C)C1 140382410 572209414 /nfs/dbraw/zinc/20/94/14/572209414.db2.gz XCMZINPUSVLPQO-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN N#CCCOCC1CCCCCC1 300979726 572209570 /nfs/dbraw/zinc/20/95/70/572209570.db2.gz UBPWEQHWCVAHQY-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN O=CCCC1(Cl)CCCCC1 36438096 572209677 /nfs/dbraw/zinc/20/96/77/572209677.db2.gz PMRKLMIYTPSVCI-UHFFFAOYSA-N 0 0 174.671 2.907 10 30 AFEERN CC1(C)CCC[C@]2(C)C=CC(=O)[C@H]12 36438163 572209884 /nfs/dbraw/zinc/20/98/84/572209884.db2.gz SCQOJMWGEDBFTN-ZYHUDNBSSA-N 0 0 178.275 2.958 10 30 AFEERN CC1=C2CCCC[C@@H]2[C@H](C)C1=O 36455846 572210415 /nfs/dbraw/zinc/21/04/15/572210415.db2.gz GFAVYZDBJWVZQY-IONNQARKSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(CC)C(=O)CCCC 36455714 572210487 /nfs/dbraw/zinc/21/04/87/572210487.db2.gz SXQNNNMCZMIEMU-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN CC1=CC(=O)[C@@H](c2ccccc2)C1 36448144 572210733 /nfs/dbraw/zinc/21/07/33/572210733.db2.gz COKKKPKEKLIXHB-LLVKDONJSA-N 0 0 172.227 2.689 10 30 AFEERN CC1=C2CCCC[C@H]2[C@H](C)C1=O 36455845 572211040 /nfs/dbraw/zinc/21/10/40/572211040.db2.gz GFAVYZDBJWVZQY-CBAPKCEASA-N 0 0 164.248 2.712 10 30 AFEERN CC1=CC(=O)[C@H](c2ccccc2)C1 36448143 572211067 /nfs/dbraw/zinc/21/10/67/572211067.db2.gz COKKKPKEKLIXHB-NSHDSACASA-N 0 0 172.227 2.689 10 30 AFEERN CSC(=CC(=O)C(C)C)SC 36456157 572211070 /nfs/dbraw/zinc/21/10/70/572211070.db2.gz JETYLJYBAHSYJF-UHFFFAOYSA-N 0 0 190.333 2.779 10 30 AFEERN Oc1ccccc1/N=C/c1ccco1 36448363 572211113 /nfs/dbraw/zinc/21/11/13/572211113.db2.gz FJNFQNXHWYLMMS-XYOKQWHBSA-N 0 0 187.198 2.736 10 30 AFEERN CC1=C(C)C(C)(C)[C@@H](C)C1=O 36458643 572211230 /nfs/dbraw/zinc/21/12/30/572211230.db2.gz BHAMDTCJAVXQHL-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C[C@H](c2cccs2)CC1=O 36448231 572211409 /nfs/dbraw/zinc/21/14/09/572211409.db2.gz MMJZDLWTKKLZFO-QMMMGPOBSA-N 0 0 178.256 2.751 10 30 AFEERN CC#CCCC1=C(C)CCCC1=O 196467748 572211558 /nfs/dbraw/zinc/21/15/58/572211558.db2.gz FEDMPCKQCBEWEA-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN C=C1C[C@@H](O)C(C)(C)C/C1=C\C 36455863 572211573 /nfs/dbraw/zinc/21/15/73/572211573.db2.gz XNDFIRYHEAGBAS-NAZIUFLLSA-N 0 0 166.264 2.670 10 30 AFEERN C[C@H]1CCCC2=CC(=O)C[C@]21C 36448027 572211590 /nfs/dbraw/zinc/21/15/90/572211590.db2.gz ACEBXKGGEGRLSU-KWQFWETISA-N 0 0 164.248 2.712 10 30 AFEERN COc1ccc([C@H](C)C#N)c(Cl)c1 36456224 572211658 /nfs/dbraw/zinc/21/16/58/572211658.db2.gz ASXMGXKRQPPGDC-SSDOTTSWSA-N 0 0 195.649 2.976 10 30 AFEERN CC1=C2CCCC[C@@H]2[C@@H](C)C1=O 36455844 572211828 /nfs/dbraw/zinc/21/18/28/572211828.db2.gz GFAVYZDBJWVZQY-VXNVDRBHSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCC(=O)CCOCCC(C)C 687795197 572212091 /nfs/dbraw/zinc/21/20/91/572212091.db2.gz HYHVJYMJTCDTGM-UHFFFAOYSA-N 0 0 184.279 2.584 10 30 AFEERN C=CCCC1=CCCCO1 36455613 572212093 /nfs/dbraw/zinc/21/20/93/572212093.db2.gz SRXSOBSWYPALCC-UHFFFAOYSA-N 0 0 138.210 2.647 10 30 AFEERN CC1(C)CC[C@]2(C)C=CC(=O)[C@H]12 43762024 572212103 /nfs/dbraw/zinc/21/21/03/572212103.db2.gz JYRXNPYRKFPVJY-KOLCDFICSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=C(C)C(C)(C)[C@H](C)C1=O 36458642 572212114 /nfs/dbraw/zinc/21/21/14/572212114.db2.gz BHAMDTCJAVXQHL-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN COc1ccc([C@@H](C)C#N)c(Cl)c1 36456223 572212301 /nfs/dbraw/zinc/21/23/01/572212301.db2.gz ASXMGXKRQPPGDC-ZETCQYMHSA-N 0 0 195.649 2.976 10 30 AFEERN C=C1C[C@@H](c2cccs2)CC1=O 36448232 572212311 /nfs/dbraw/zinc/21/23/11/572212311.db2.gz MMJZDLWTKKLZFO-MRVPVSSYSA-N 0 0 178.256 2.751 10 30 AFEERN CC1=CC(=O)C[C@H]2C[C@@H]1CC[C@@H]2C 196469611 572212513 /nfs/dbraw/zinc/21/25/13/572212513.db2.gz LZBDLQYGSDIIRG-INTQDDNPSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@]1(C)C(=O)CC1(CC)CC 196472007 572212524 /nfs/dbraw/zinc/21/25/24/572212524.db2.gz OZCQFHGYYWKXBF-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCc1ccc(C)cc1C(C)=O 196468747 572213101 /nfs/dbraw/zinc/21/31/01/572213101.db2.gz HJAXLKVMSAEDQY-UHFFFAOYSA-N 0 0 174.243 2.926 10 30 AFEERN C=C[C@@H]1C(=O)C=C(C)CC1(C)C 36466379 572213946 /nfs/dbraw/zinc/21/39/46/572213946.db2.gz KJPGNHFYASJYLC-SECBINFHSA-N 0 0 164.248 2.734 10 30 AFEERN CC(=O)C1=C(C)CC[C@@H](C)C1 196469620 572213248 /nfs/dbraw/zinc/21/32/48/572213248.db2.gz QAXDNAOKFDWIDI-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@H]1C(=O)C=C(C)CC1(C)C 36466378 572213392 /nfs/dbraw/zinc/21/33/92/572213392.db2.gz KJPGNHFYASJYLC-VIFPVBQESA-N 0 0 164.248 2.734 10 30 AFEERN CCc1ccc(OCCS)cc1 41202182 572213602 /nfs/dbraw/zinc/21/36/02/572213602.db2.gz YEEXJZFBWUQGGC-UHFFFAOYSA-N 0 0 182.288 2.558 10 30 AFEERN C=C(C)CC(=O)CC=C(C)C 196473471 572213608 /nfs/dbraw/zinc/21/36/08/572213608.db2.gz WADCUYZCPXWSQS-UHFFFAOYSA-N 0 0 152.237 2.878 10 30 AFEERN CC(=O)C1=C(C)CC[C@H](C)C1 196469628 572213720 /nfs/dbraw/zinc/21/37/20/572213720.db2.gz QAXDNAOKFDWIDI-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC[C@]1(C)C=CC(=O)CC1 36466380 572213780 /nfs/dbraw/zinc/21/37/80/572213780.db2.gz INABNEKZRKPZRJ-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CC1(C)CC(=O)C2=C1C=CC=CC2 140436918 572216752 /nfs/dbraw/zinc/21/67/52/572216752.db2.gz HINVAWDKCFEHAJ-UHFFFAOYSA-N 0 0 174.243 2.798 10 30 AFEERN CC1=C[C@@]2(C)CCC[C@H]2[C@@H](C)C1=O 36466599 572214054 /nfs/dbraw/zinc/21/40/54/572214054.db2.gz QQVHWPJZYBILNM-JFGNBEQYSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H]1C=CC(=O)[C@@H]1c1ccccc1 196473878 572214075 /nfs/dbraw/zinc/21/40/75/572214075.db2.gz NQNKICVXCXQKEK-SKDRFNHKSA-N 0 0 172.227 2.545 10 30 AFEERN CCCC[C@@H]1C(=O)C=C[C@@H]1C 196473863 572214104 /nfs/dbraw/zinc/21/41/04/572214104.db2.gz XPBPNAHGKTVKMQ-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C[C@H](c2ccccc2)CC1=O 36466522 572214117 /nfs/dbraw/zinc/21/41/17/572214117.db2.gz CIWJIOBKYJCGMH-NSHDSACASA-N 0 0 172.227 2.689 10 30 AFEERN C[C@H]1CC(=O)C2=CC[C@@H]3CC[C@@]21C3 36466569 572214275 /nfs/dbraw/zinc/21/42/75/572214275.db2.gz QGHCQLJSEQGSFT-SBMIAAHKSA-N 0 0 176.259 2.712 10 30 AFEERN C=CC[C@H](CO)CC(C)(C)C 713230259 572214391 /nfs/dbraw/zinc/21/43/91/572214391.db2.gz RVUZWAKHSIGDEG-VIFPVBQESA-N 0 0 156.269 2.607 10 30 AFEERN C=CC[C@H]1CCCC[C@H]1C(C)=O 196479008 572214460 /nfs/dbraw/zinc/21/44/60/572214460.db2.gz XUWDLBUKPBKIIH-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1C[C@@H](c2ccccc2)CC1=O 36466523 572214465 /nfs/dbraw/zinc/21/44/65/572214465.db2.gz CIWJIOBKYJCGMH-LLVKDONJSA-N 0 0 172.227 2.689 10 30 AFEERN CCCC[C@H]1C(=O)C=C[C@@H]1C 196473853 572214518 /nfs/dbraw/zinc/21/45/18/572214518.db2.gz XPBPNAHGKTVKMQ-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@]1(C)CCC(=O)C1(C)C 196473701 572214660 /nfs/dbraw/zinc/21/46/60/572214660.db2.gz ZFDCBQQVYKAWHX-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1C=CC(=O)[C@@H]1c1ccccc1 196473885 572214776 /nfs/dbraw/zinc/21/47/76/572214776.db2.gz NQNKICVXCXQKEK-CABZTGNLSA-N 0 0 172.227 2.545 10 30 AFEERN C[C@H]1C=CC(=O)[C@H]1c1ccccc1 196473907 572214793 /nfs/dbraw/zinc/21/47/93/572214793.db2.gz NQNKICVXCXQKEK-JOYOIKCWSA-N 0 0 172.227 2.545 10 30 AFEERN C=C(C)CC[NH2+][C@H](C)c1ccccn1 168056865 572215009 /nfs/dbraw/zinc/21/50/09/572215009.db2.gz JQQFXDNSTVTHBE-LLVKDONJSA-N 0 0 190.290 2.698 10 30 AFEERN C=C[C@@]1(C)C(=O)CC12CCCC2 196472027 572215142 /nfs/dbraw/zinc/21/51/42/572215142.db2.gz VYWBCPVHTJWGEW-JTQLQIEISA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)[C@@]12C=CC(=O)C(C)(C)[C@@H]1C2 43763425 572215282 /nfs/dbraw/zinc/21/52/82/572215282.db2.gz PQKBVQKGPZKNRW-CABZTGNLSA-N 0 0 178.275 2.814 10 30 AFEERN C=CC[C@@H](CO)CC(C)(C)C 713230258 572215286 /nfs/dbraw/zinc/21/52/86/572215286.db2.gz RVUZWAKHSIGDEG-SECBINFHSA-N 0 0 156.269 2.607 10 30 AFEERN C=C[C@]1(C)CCC(=O)C1(C)C 196473685 572215470 /nfs/dbraw/zinc/21/54/70/572215470.db2.gz ZFDCBQQVYKAWHX-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)[C@@H]1CCC2=CC(=O)C[C@@]21C 43763714 572215537 /nfs/dbraw/zinc/21/55/37/572215537.db2.gz IIVNPYQVUWMOSA-RYUDHWBXSA-N 0 0 178.275 2.958 10 30 AFEERN CC1(C)[C@H]2CC=C(CC#N)[C@@H]1C2 196479383 572215618 /nfs/dbraw/zinc/21/56/18/572215618.db2.gz MPIRBQOYOBBLMN-UWVGGRQHSA-N 0 0 161.248 2.892 10 30 AFEERN CCCC[C@H]1C(=O)C=C[C@H]1C 196473833 572215645 /nfs/dbraw/zinc/21/56/45/572215645.db2.gz XPBPNAHGKTVKMQ-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN Fc1ccccc1OCCCS 41203466 572215668 /nfs/dbraw/zinc/21/56/68/572215668.db2.gz GXWGSWPOCGBXNB-UHFFFAOYSA-N 0 0 186.251 2.524 10 30 AFEERN C=C[C@@]1(C)C(=O)CC1(CC)CC 196472015 572215695 /nfs/dbraw/zinc/21/56/95/572215695.db2.gz OZCQFHGYYWKXBF-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@H]1CCCC[C@H]1C(C)=O 196479031 572215788 /nfs/dbraw/zinc/21/57/88/572215788.db2.gz XUWDLBUKPBKIIH-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1C=CC(=O)[C@H]1c1ccccc1 196473897 572215792 /nfs/dbraw/zinc/21/57/92/572215792.db2.gz NQNKICVXCXQKEK-BXKDBHETSA-N 0 0 172.227 2.545 10 30 AFEERN C=CC[C@H]1CCCC[C@@H]1C(C)=O 196479018 572215816 /nfs/dbraw/zinc/21/58/16/572215816.db2.gz XUWDLBUKPBKIIH-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@]1(C)C(=O)CC12CCCC2 196472038 572215870 /nfs/dbraw/zinc/21/58/70/572215870.db2.gz VYWBCPVHTJWGEW-SNVBAGLBSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCCC1CCOCC1 117951792 572215932 /nfs/dbraw/zinc/21/59/32/572215932.db2.gz DNWFPDDHUWCQGC-UHFFFAOYSA-N 0 0 154.253 2.769 10 30 AFEERN C=C(C)CC[NH2+][C@@H](C)c1ccccn1 168056771 572216033 /nfs/dbraw/zinc/21/60/33/572216033.db2.gz JQQFXDNSTVTHBE-NSHDSACASA-N 0 0 190.290 2.698 10 30 AFEERN C=CC[C@@H]1CCCC[C@@H]1C(C)=O 196479044 572216040 /nfs/dbraw/zinc/21/60/40/572216040.db2.gz XUWDLBUKPBKIIH-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN CCc1ccccc1OCCS 41202176 572216053 /nfs/dbraw/zinc/21/60/53/572216053.db2.gz HTBNYMGYBUHFAH-UHFFFAOYSA-N 0 0 182.288 2.558 10 30 AFEERN CC(C)C[C@@H](O)CC#C[Si](C)(C)C 196209449 572216375 /nfs/dbraw/zinc/21/63/75/572216375.db2.gz YWNHTAAPMNNVHC-NSHDSACASA-N 0 0 198.382 2.664 10 30 AFEERN C[C@@H]1C=Cc2ccccc2[C@H]1C=O 140432722 572216408 /nfs/dbraw/zinc/21/64/08/572216408.db2.gz SEVJZOMKOOIBKI-SKDRFNHKSA-N 0 0 172.227 2.632 10 30 AFEERN CC(C(=O)c1ccccc1)=C1CC1 196208431 572216435 /nfs/dbraw/zinc/21/64/35/572216435.db2.gz FNDQPXJFSAJMKQ-UHFFFAOYSA-N 0 0 172.227 2.980 10 30 AFEERN O/N=C/c1cc2ccccc2s1 140445962 572216460 /nfs/dbraw/zinc/21/64/60/572216460.db2.gz UQRGZGDKRKOCTI-UXBLZVDNSA-N 0 0 177.228 2.709 10 30 AFEERN CC(C)[C@@H]1CC(=O)C=C(Cl)C1 196211638 572216493 /nfs/dbraw/zinc/21/64/93/572216493.db2.gz BKKHLASJVSHZDB-ZETCQYMHSA-N 0 0 172.655 2.744 10 30 AFEERN Cc1ccccc1OCCCS 41202173 572216497 /nfs/dbraw/zinc/21/64/97/572216497.db2.gz KVOBOVPIJBDFRW-UHFFFAOYSA-N 0 0 182.288 2.694 10 30 AFEERN Fc1cccc(OCCCS)c1 41203469 572216506 /nfs/dbraw/zinc/21/65/06/572216506.db2.gz WCURPXDALKKTPC-UHFFFAOYSA-N 0 0 186.251 2.524 10 30 AFEERN C[C@H]1CCC[C@@H]2C[C@@]23CC(=O)C=C13 140443901 572216516 /nfs/dbraw/zinc/21/65/16/572216516.db2.gz FDDAKEFMRZJPCO-YGOYTEALSA-N 0 0 176.259 2.712 10 30 AFEERN CC(C)[C@H]1CC(=O)C=C(Cl)C1 196211631 572216521 /nfs/dbraw/zinc/21/65/21/572216521.db2.gz BKKHLASJVSHZDB-SSDOTTSWSA-N 0 0 172.655 2.744 10 30 AFEERN CC1(CC=O)CCCCCC1 196210121 572216652 /nfs/dbraw/zinc/21/66/52/572216652.db2.gz DACHJNRXHQJCRW-UHFFFAOYSA-N 0 0 154.253 2.936 10 30 AFEERN CCCCCC(Cl)(Cl)C=O 196209845 572216654 /nfs/dbraw/zinc/21/66/54/572216654.db2.gz HWQYCCIUFQMHIB-UHFFFAOYSA-N 0 0 183.078 2.940 10 30 AFEERN CC(C)(C)OC#COC(C)(C)C 196213142 572216674 /nfs/dbraw/zinc/21/66/74/572216674.db2.gz PPVDJWLEHWYMCQ-UHFFFAOYSA-N 0 0 170.252 2.535 10 30 AFEERN C=C1CCCC=C1N=[N+]=[N-] 196205239 572216716 /nfs/dbraw/zinc/21/67/16/572216716.db2.gz VDTZAOXMAZZOBN-UHFFFAOYSA-N 0 0 135.170 2.921 10 30 AFEERN O=C(C=C1CC1)c1ccccc1 196208419 572216756 /nfs/dbraw/zinc/21/67/56/572216756.db2.gz LCVPQZFVFXEOOT-UHFFFAOYSA-N 0 0 158.200 2.590 10 30 AFEERN Cc1ccc(NC[C@@H](C)C#N)c(F)c1 36677340 572217036 /nfs/dbraw/zinc/21/70/36/572217036.db2.gz AHXOVDASCOKDKS-VIFPVBQESA-N 0 0 192.237 2.706 10 30 AFEERN Cc1ccc(F)c(NC[C@@H](C)C#N)c1 36677344 572217174 /nfs/dbraw/zinc/21/71/74/572217174.db2.gz ULLJFTFQQIMTKI-VIFPVBQESA-N 0 0 192.237 2.706 10 30 AFEERN C=C(CC)C[C@H](O)CCCOCC 160919437 572217190 /nfs/dbraw/zinc/21/71/90/572217190.db2.gz SBCDSNTZGWELHQ-LLVKDONJSA-N 0 0 186.295 2.520 10 30 AFEERN CC[C@H](CC#N)Nc1ccccc1F 36679736 572217432 /nfs/dbraw/zinc/21/74/32/572217432.db2.gz ZTWGTJSHPYFUBY-SECBINFHSA-N 0 0 192.237 2.930 10 30 AFEERN C=CCc1ccccc1/C=C\CCO 220646976 572217451 /nfs/dbraw/zinc/21/74/51/572217451.db2.gz LVHRBBDYEQMUTN-YHYXMXQVSA-N 0 0 188.270 2.811 10 30 AFEERN CCc1cccc(NC[C@H](C)C#N)c1 36668932 572217500 /nfs/dbraw/zinc/21/75/00/572217500.db2.gz JXAGYIDDLGSXLC-SNVBAGLBSA-N 0 0 188.274 2.821 10 30 AFEERN C=C[C@@H](O)/C=C\CCCCC 220527672 572217592 /nfs/dbraw/zinc/21/75/92/572217592.db2.gz CQEPICDPBJUVOW-HSTULFTRSA-N 0 0 154.253 2.670 10 30 AFEERN C=C[C@H](C)/C=C(\C)CCC=O 393363377 572217616 /nfs/dbraw/zinc/21/76/16/572217616.db2.gz JGMPZLDBZYGSFW-WKMLFNHBSA-N 0 0 152.237 2.734 10 30 AFEERN CC1(C)C[C@@]1(C=O)c1ccccc1 20417502 572217630 /nfs/dbraw/zinc/21/76/30/572217630.db2.gz JDVVCCCQDXWEJO-GFCCVEGCSA-N 0 0 174.243 2.553 10 30 AFEERN O=CC/C=C\Cc1cccc(F)c1 113117788 572217673 /nfs/dbraw/zinc/21/76/73/572217673.db2.gz RWQCDNJSSSQYFR-UPHRSURJSA-N 0 0 178.206 2.513 10 30 AFEERN O=CC/C=C/Cc1cccc(F)c1 113117789 572217845 /nfs/dbraw/zinc/21/78/45/572217845.db2.gz RWQCDNJSSSQYFR-OWOJBTEDSA-N 0 0 178.206 2.513 10 30 AFEERN Cc1ccc(N2CC=CCC2)c(C#N)c1 235904316 572218031 /nfs/dbraw/zinc/21/80/31/572218031.db2.gz QMKAZTQEEKQSRQ-UHFFFAOYSA-N 0 0 198.269 2.633 10 30 AFEERN Cc1csc(SC[C@H](C)C#N)n1 36667967 572218565 /nfs/dbraw/zinc/21/85/65/572218565.db2.gz JHJWXLFVYFIQLO-ZCFIWIBFSA-N 0 0 198.316 2.703 10 30 AFEERN Cc1ccc(F)c(NCCCC#N)c1 20360109 572218758 /nfs/dbraw/zinc/21/87/58/572218758.db2.gz ZUYZDUSZFJSSPC-UHFFFAOYSA-N 0 0 192.237 2.850 10 30 AFEERN CCc1cccc(NC[C@@H](C)C#N)c1 36668930 572218897 /nfs/dbraw/zinc/21/88/97/572218897.db2.gz JXAGYIDDLGSXLC-JTQLQIEISA-N 0 0 188.274 2.821 10 30 AFEERN Cc1csc(SC[C@@H](C)C#N)n1 36667965 572218949 /nfs/dbraw/zinc/21/89/49/572218949.db2.gz JHJWXLFVYFIQLO-LURJTMIESA-N 0 0 198.316 2.703 10 30 AFEERN C[C@H](C#N)CNc1cc(F)ccc1F 36677316 572219085 /nfs/dbraw/zinc/21/90/85/572219085.db2.gz NSQHXKNQYLSYAN-SSDOTTSWSA-N 0 0 196.200 2.536 10 30 AFEERN CC(C)CSC[C@H](C)C#N 36669080 572219123 /nfs/dbraw/zinc/21/91/23/572219123.db2.gz GOCCGPPEBLWSDR-MRVPVSSYSA-N 0 0 157.282 2.535 10 30 AFEERN Cc1ccc(Cl)c(OCCC#N)c1 36667502 572219170 /nfs/dbraw/zinc/21/91/70/572219170.db2.gz VYEOPWCEFJOLAZ-UHFFFAOYSA-N 0 0 195.649 2.941 10 30 AFEERN CC1(C)C[C@]1(C=O)c1ccccc1 20417504 572219578 /nfs/dbraw/zinc/21/95/78/572219578.db2.gz JDVVCCCQDXWEJO-LBPRGKRZSA-N 0 0 174.243 2.553 10 30 AFEERN O=CCC/C=C/Cc1ccccc1 113117179 572219364 /nfs/dbraw/zinc/21/93/64/572219364.db2.gz RXBQGWPYJVKUCR-DAFODLJHSA-N 0 0 174.243 2.764 10 30 AFEERN C=CCCC(=O)[C@H]1CCC(F)(F)C1 300984869 572220915 /nfs/dbraw/zinc/22/09/15/572220915.db2.gz ZDNQYRGXMCMOMB-QMMMGPOBSA-N 0 0 188.217 2.957 10 30 AFEERN Cc1cc(F)ccc1NC[C@H](C)C#N 36668998 572219708 /nfs/dbraw/zinc/21/97/08/572219708.db2.gz FCISKQOUOGQFDB-MRVPVSSYSA-N 0 0 192.237 2.706 10 30 AFEERN Cc1ccc(F)c(NC[C@H](C)C#N)c1 36677345 572219836 /nfs/dbraw/zinc/21/98/36/572219836.db2.gz ULLJFTFQQIMTKI-SECBINFHSA-N 0 0 192.237 2.706 10 30 AFEERN CC(C)CSC[C@@H](C)C#N 36669078 572220029 /nfs/dbraw/zinc/22/00/29/572220029.db2.gz GOCCGPPEBLWSDR-QMMMGPOBSA-N 0 0 157.282 2.535 10 30 AFEERN Cc1ncn(CC#CC(C)(C)C)c1C 300790934 572220217 /nfs/dbraw/zinc/22/02/17/572220217.db2.gz TUZBJWOBBDWOKJ-UHFFFAOYSA-N 0 0 190.290 2.549 10 30 AFEERN C=C[C@@H](C)/C=C(\C)CCC=O 393363376 572220394 /nfs/dbraw/zinc/22/03/94/572220394.db2.gz JGMPZLDBZYGSFW-NCXKZPMSSA-N 0 0 152.237 2.734 10 30 AFEERN O=CCc1c[nH]c2ccc(Cl)cc12 20446190 572220907 /nfs/dbraw/zinc/22/09/07/572220907.db2.gz QZBYXAGBNVQBGV-UHFFFAOYSA-N 0 0 193.633 2.563 10 30 AFEERN C=CCCC(=O)[C@@H]1CCC(F)(F)C1 300984868 572221718 /nfs/dbraw/zinc/22/17/18/572221718.db2.gz ZDNQYRGXMCMOMB-MRVPVSSYSA-N 0 0 188.217 2.957 10 30 AFEERN CC=C(CC)C(=O)Cc1ccccn1 234111857 572221776 /nfs/dbraw/zinc/22/17/76/572221776.db2.gz FXPBCSQDDRVYCY-KMKOMSMNSA-N 0 0 189.258 2.550 10 30 AFEERN C[C@@H](S)c1nc2ccccc2n1C 20476631 572221784 /nfs/dbraw/zinc/22/17/84/572221784.db2.gz LJLYALIARZPWNA-SSDOTTSWSA-N 0 0 192.287 2.564 10 30 AFEERN CC(C)(C)C#CC[C@H](O)[C@H]1CC1(C)C 300723785 572221916 /nfs/dbraw/zinc/22/19/16/572221916.db2.gz CNZDFZDENQTWLG-MNOVXSKESA-N 0 0 194.318 2.833 10 30 AFEERN CC(C)(C)C#CCC[C@H](O)C1CC1 300768854 572222365 /nfs/dbraw/zinc/22/23/65/572222365.db2.gz PHRHYQUJSKHZJJ-NSHDSACASA-N 0 0 180.291 2.587 10 30 AFEERN CC(C)(C)C#CC[C@H]1CC[C@@H](O)C1 300741271 572222881 /nfs/dbraw/zinc/22/28/81/572222881.db2.gz ILBVFJDABNVDIE-WDEREUQCSA-N 0 0 180.291 2.587 10 30 AFEERN Cc1ccc2c(c1)[C@H](C)C/C2=N\O 20436550 572223017 /nfs/dbraw/zinc/22/30/17/572223017.db2.gz AGUKQWZPFIVFBQ-MDBUJETNSA-N 0 0 175.231 2.681 10 30 AFEERN Cc1ccc2c(c1)[C@@H](C)C/C2=N\O 20436554 572223075 /nfs/dbraw/zinc/22/30/75/572223075.db2.gz AGUKQWZPFIVFBQ-BVKVCPRXSA-N 0 0 175.231 2.681 10 30 AFEERN C[C@H](S)c1nc2ccccc2n1C 20476632 572223079 /nfs/dbraw/zinc/22/30/79/572223079.db2.gz LJLYALIARZPWNA-ZETCQYMHSA-N 0 0 192.287 2.564 10 30 AFEERN C/C=C(/CC)C(=O)c1cncc(C)c1 234114915 572223556 /nfs/dbraw/zinc/22/35/56/572223556.db2.gz LHSWLKVWWAFIFJ-WMZJFQQLSA-N 0 0 189.258 2.929 10 30 AFEERN N#CCCOCc1ccc(Cl)cc1 83473811 572223682 /nfs/dbraw/zinc/22/36/82/572223682.db2.gz MHOSCOQHXIHKMZ-UHFFFAOYSA-N 0 0 195.649 2.770 10 30 AFEERN CC(C)(C)C#CC[C@H]1CC[C@H](O)C1 300741269 572223721 /nfs/dbraw/zinc/22/37/21/572223721.db2.gz ILBVFJDABNVDIE-QWRGUYRKSA-N 0 0 180.291 2.587 10 30 AFEERN C=CC[C@H](O)C[C@H]1CCC(F)(F)C1 300987575 572224368 /nfs/dbraw/zinc/22/43/68/572224368.db2.gz SZAUDTKSCGUGMA-BDAKNGLRSA-N 0 0 190.233 2.749 10 30 AFEERN C=CC[C@@H]1CCC(=O)[C@@H]1CC#CCC 207471791 572224083 /nfs/dbraw/zinc/22/40/83/572224083.db2.gz KKFYEPLSUWOKHR-VXGBXAGGSA-N 0 0 190.286 2.961 10 30 AFEERN N#C[C@@H](C(=O)CC1CC1)c1ccccc1 48347910 572224263 /nfs/dbraw/zinc/22/42/63/572224263.db2.gz QUKHWIJJNBIAEB-GFCCVEGCSA-N 0 0 199.253 2.663 10 30 AFEERN C=CC[C@@H](O)C[C@@H]1CCC(F)(F)C1 300987577 572224298 /nfs/dbraw/zinc/22/42/98/572224298.db2.gz SZAUDTKSCGUGMA-DTWKUNHWSA-N 0 0 190.233 2.749 10 30 AFEERN N#CCCOCc1cccc(Cl)c1 83473799 572224351 /nfs/dbraw/zinc/22/43/51/572224351.db2.gz FDRSNAOLTKQLSR-UHFFFAOYSA-N 0 0 195.649 2.770 10 30 AFEERN C=CCCCC(=O)CSCC 83484647 572224357 /nfs/dbraw/zinc/22/43/57/572224357.db2.gz VWJCWDBCVCQVNS-UHFFFAOYSA-N 0 0 172.293 2.665 10 30 AFEERN CC(C)CCCOCCCC#N 20514729 572224538 /nfs/dbraw/zinc/22/45/38/572224538.db2.gz OMRXTOPVQBLCNN-UHFFFAOYSA-N 0 0 169.268 2.743 10 30 AFEERN C/C=C(/CC)C(=O)c1cccnc1 234114698 572224576 /nfs/dbraw/zinc/22/45/76/572224576.db2.gz XJVBDJMCGRPKQY-OQFOIZHKSA-N 0 0 175.231 2.621 10 30 AFEERN C/C=C(/CC)C(=O)c1ccoc1 234114852 572224729 /nfs/dbraw/zinc/22/47/29/572224729.db2.gz VTXOUKRPDNXBCC-BAQGIRSFSA-N 0 0 164.204 2.819 10 30 AFEERN CC(C)(C)C#CC[C@@H](O)C1CCCC1 300785527 572224783 /nfs/dbraw/zinc/22/47/83/572224783.db2.gz SFZCXRWLTCEOQY-GFCCVEGCSA-N 0 0 194.318 2.977 10 30 AFEERN C[C@@H]1C[C@H](OC[C@@H]2CO2)CC(C)(C)C1 20513606 572224790 /nfs/dbraw/zinc/22/47/90/572224790.db2.gz XCYLBOIRGOCIAV-OUAUKWLOSA-N 0 0 198.306 2.617 10 30 AFEERN N#C[C@H](C(=O)CC1CC1)c1ccccc1 48347911 572224843 /nfs/dbraw/zinc/22/48/43/572224843.db2.gz QUKHWIJJNBIAEB-LBPRGKRZSA-N 0 0 199.253 2.663 10 30 AFEERN C=CC[C@@H](O)C[C@H]1CCC(F)(F)C1 300987580 572225335 /nfs/dbraw/zinc/22/53/35/572225335.db2.gz SZAUDTKSCGUGMA-RKDXNWHRSA-N 0 0 190.233 2.749 10 30 AFEERN C/C=C(/CC)C(=O)c1cnccc1C 234115047 572225411 /nfs/dbraw/zinc/22/54/11/572225411.db2.gz JFLUNHPCGBBLQJ-WMZJFQQLSA-N 0 0 189.258 2.929 10 30 AFEERN C/C=C(/CC)C(=O)c1ccncc1F 234114824 572225462 /nfs/dbraw/zinc/22/54/62/572225462.db2.gz ZNSBZGMSVUWAFD-BAQGIRSFSA-N 0 0 193.221 2.760 10 30 AFEERN CC(C)(C)C#CC[C@H](O)C1(C)CC1 300770892 572225473 /nfs/dbraw/zinc/22/54/73/572225473.db2.gz PPCCYNDJEFWPJY-JTQLQIEISA-N 0 0 180.291 2.587 10 30 AFEERN C=CCCC(=O)CSCCC 83486684 572225498 /nfs/dbraw/zinc/22/54/98/572225498.db2.gz OJSMQDVHEJUPRP-UHFFFAOYSA-N 0 0 172.293 2.665 10 30 AFEERN C/C=C(/CC)C(=O)c1cncc(F)c1 234114938 572225528 /nfs/dbraw/zinc/22/55/28/572225528.db2.gz HVSGJNWRTFBOLT-BAQGIRSFSA-N 0 0 193.221 2.760 10 30 AFEERN C[C@H](CC#N)N[C@H](C)c1cccs1 37871460 572225917 /nfs/dbraw/zinc/22/59/17/572225917.db2.gz FBCJISMHLHKSTP-RKDXNWHRSA-N 0 0 194.303 2.701 10 30 AFEERN C[C@H](N[C@H](C)CC#N)c1cccs1 37871458 572226015 /nfs/dbraw/zinc/22/60/15/572226015.db2.gz FBCJISMHLHKSTP-BDAKNGLRSA-N 0 0 194.303 2.701 10 30 AFEERN Cc1cc(C#N)ccc1C(C)C 113138820 572226132 /nfs/dbraw/zinc/22/61/32/572226132.db2.gz MXZKMYWHFQXHOK-UHFFFAOYSA-N 0 0 159.232 2.990 10 30 AFEERN C[C@H]1C[C@H](OC[C@@H]2CO2)CC(C)(C)C1 20513610 572226412 /nfs/dbraw/zinc/22/64/12/572226412.db2.gz XCYLBOIRGOCIAV-GARJFASQSA-N 0 0 198.306 2.617 10 30 AFEERN C#CCCc1ncc(-c2ccccc2)o1 113135568 572226467 /nfs/dbraw/zinc/22/64/67/572226467.db2.gz ASEWJSBOMVQDPF-UHFFFAOYSA-N 0 0 197.237 2.907 10 30 AFEERN O=C(CC[C@@H]1CCCO1)C1=CCCC1 83522978 572228219 /nfs/dbraw/zinc/22/82/19/572228219.db2.gz GWIDKVBBIXSVPI-NSHDSACASA-N 0 0 194.274 2.625 10 30 AFEERN C=CCCC[C@H](O)CSCCC 83487052 572226589 /nfs/dbraw/zinc/22/65/89/572226589.db2.gz SUDVBVVCNRCVRI-JTQLQIEISA-N 0 0 188.336 2.847 10 30 AFEERN C[C@H]1C[C@@H](OC[C@@H]2CO2)CC(C)(C)C1 20513603 572226638 /nfs/dbraw/zinc/22/66/38/572226638.db2.gz XCYLBOIRGOCIAV-HBNTYKKESA-N 0 0 198.306 2.617 10 30 AFEERN C=CC(F)(F)[C@H](O)/C=C\CCCC 220919070 572226748 /nfs/dbraw/zinc/22/67/48/572226748.db2.gz OUDMCPHFOIAYGV-UFGYOYAJSA-N 0 0 190.233 2.915 10 30 AFEERN C=CCCCc1ccc(O)cc1 113144256 572226945 /nfs/dbraw/zinc/22/69/45/572226945.db2.gz SQHODDSCDUGHNR-UHFFFAOYSA-N 0 0 162.232 2.901 10 30 AFEERN CCCCCC(=O)C=C(C)O 687797502 572227419 /nfs/dbraw/zinc/22/74/19/572227419.db2.gz OWCASXJGSWHPED-BQYQJAHWSA-N 0 0 156.225 2.598 10 30 AFEERN CC#CCC(=O)CSC(C)(C)C 83490108 572227571 /nfs/dbraw/zinc/22/75/71/572227571.db2.gz QUVHILPYVHTTGS-UHFFFAOYSA-N 0 0 184.304 2.501 10 30 AFEERN C=C(C)CN(CC(F)(F)F)C(C)C 687713375 572227793 /nfs/dbraw/zinc/22/77/93/572227793.db2.gz GXNSCVWZIQISQK-UHFFFAOYSA-N 0 0 195.228 2.835 10 30 AFEERN CC(C)(C)C=C=CC(=O)c1ccoc1 300743362 572227921 /nfs/dbraw/zinc/22/79/21/572227921.db2.gz IXSBCKUZZNKIQX-UHFFFAOYSA-N 0 0 190.242 2.902 10 30 AFEERN CC(C)C[C@H](C)[C@H](C#N)N1CCCC1 300990196 572229417 /nfs/dbraw/zinc/22/94/17/572229417.db2.gz VMCQVGUDACKJJX-RYUDHWBXSA-N 0 0 194.322 2.657 10 30 AFEERN C=CCC[C@@H](O)CSCC(C)C 83491612 572228121 /nfs/dbraw/zinc/22/81/21/572228121.db2.gz OUFMUZMBGCQPOT-SNVBAGLBSA-N 0 0 188.336 2.703 10 30 AFEERN C=CCCC(=O)CSCC(C)C 83491324 572228193 /nfs/dbraw/zinc/22/81/93/572228193.db2.gz XONVBOGADNYYBG-UHFFFAOYSA-N 0 0 186.320 2.911 10 30 AFEERN CC(C)C[C@@H](C)[C@@H](C#N)N1CCCC1 300990201 572228330 /nfs/dbraw/zinc/22/83/30/572228330.db2.gz VMCQVGUDACKJJX-VXGBXAGGSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)C[C@H](C)[C@@H](C#N)N1CCCC1 300990192 572228404 /nfs/dbraw/zinc/22/84/04/572228404.db2.gz VMCQVGUDACKJJX-NWDGAFQWSA-N 0 0 194.322 2.657 10 30 AFEERN C=CCC[C@H](O)CSCC(C)C 83491613 572228644 /nfs/dbraw/zinc/22/86/44/572228644.db2.gz OUFMUZMBGCQPOT-JTQLQIEISA-N 0 0 188.336 2.703 10 30 AFEERN C=CC/C(=C\CO)Cc1ccccc1 221540532 572228794 /nfs/dbraw/zinc/22/87/94/572228794.db2.gz FDBRWNJFNMFINM-FMIVXFBMSA-N 0 0 188.270 2.724 10 30 AFEERN CC[C@H](C#N)C(=O)c1ccc(F)cc1 36916007 572230486 /nfs/dbraw/zinc/23/04/86/572230486.db2.gz LABSPEMXHHDTTI-MRVPVSSYSA-N 0 0 191.205 2.558 10 30 AFEERN CO/C=C1/CCCC[C@@H]1CCC=O 221427432 572229013 /nfs/dbraw/zinc/22/90/13/572229013.db2.gz HHEAZNASALQMBJ-QLWWJYNRSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCC(=O)CSC(C)(C)C 83490106 572229048 /nfs/dbraw/zinc/22/90/48/572229048.db2.gz XMECKPKFSNNMTJ-UHFFFAOYSA-N 0 0 172.293 2.663 10 30 AFEERN O=C(CC[C@H]1CCCO1)C1=CCCC1 83522981 572229184 /nfs/dbraw/zinc/22/91/84/572229184.db2.gz GWIDKVBBIXSVPI-LLVKDONJSA-N 0 0 194.274 2.625 10 30 AFEERN C=CCC[C@H](O)CSC(C)(C)C 83490385 572229344 /nfs/dbraw/zinc/22/93/44/572229344.db2.gz OMNRSLNNCWJNNA-VIFPVBQESA-N 0 0 188.336 2.845 10 30 AFEERN CC(C)NC1(C#N)CCCCCCC1 36924732 572230510 /nfs/dbraw/zinc/23/05/10/572230510.db2.gz IWIVFOUKIJBCQF-UHFFFAOYSA-N 0 0 194.322 2.991 10 30 AFEERN C#CCCC(=O)CSC(C)(C)C 83490152 572229733 /nfs/dbraw/zinc/22/97/33/572229733.db2.gz TYWHGWPKTCTZGW-UHFFFAOYSA-N 0 0 184.304 2.501 10 30 AFEERN C=CCC(=O)CSCC(C)C 83491333 572229791 /nfs/dbraw/zinc/22/97/91/572229791.db2.gz MFITVNPJMHAPGJ-UHFFFAOYSA-N 0 0 172.293 2.521 10 30 AFEERN Cc1ccc(C(=O)[C@@H](C)C#N)cc1C 36935137 572229994 /nfs/dbraw/zinc/22/99/94/572229994.db2.gz SCTMPXFULREPOW-JTQLQIEISA-N 0 0 187.242 2.646 10 30 AFEERN CC(C#N)=C([O-])c1cc2ccccc2o1 36931603 572230040 /nfs/dbraw/zinc/23/00/40/572230040.db2.gz JPIUHUHDWXYNGY-MRVPVSSYSA-N 0 0 199.209 2.775 10 30 AFEERN C=C(C)[C@@H](C)[C@H](O)C(C)(C)C 220574341 572230070 /nfs/dbraw/zinc/23/00/70/572230070.db2.gz FXBDDCBSFVAMJZ-BDAKNGLRSA-N 0 0 156.269 2.606 10 30 AFEERN Cc1ccc(C(=O)[C@H](C)C#N)cc1C 36935139 572230269 /nfs/dbraw/zinc/23/02/69/572230269.db2.gz SCTMPXFULREPOW-SNVBAGLBSA-N 0 0 187.242 2.646 10 30 AFEERN CC[C@@H](C#N)C(=O)c1ccc(F)cc1 36916006 572230362 /nfs/dbraw/zinc/23/03/62/572230362.db2.gz LABSPEMXHHDTTI-QMMMGPOBSA-N 0 0 191.205 2.558 10 30 AFEERN Cc1cccc(C(=O)[C@H](C)C#N)c1C 36935179 572230432 /nfs/dbraw/zinc/23/04/32/572230432.db2.gz NTLOJDDMEYWTOF-SECBINFHSA-N 0 0 187.242 2.646 10 30 AFEERN CC(C)(C)C#CC[C@@H](O)CC1CCC1 300764202 572230470 /nfs/dbraw/zinc/23/04/70/572230470.db2.gz OIWPPLNBUONLRA-GFCCVEGCSA-N 0 0 194.318 2.977 10 30 AFEERN CCCN(C)C1(C#N)CCCCC1 687713519 572230671 /nfs/dbraw/zinc/23/06/71/572230671.db2.gz BZOCROYKWSEODZ-UHFFFAOYSA-N 0 0 180.295 2.555 10 30 AFEERN C[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1ccccc1 36930342 572230709 /nfs/dbraw/zinc/23/07/09/572230709.db2.gz RXUMKVFXAAMFKJ-USWWRNFRSA-N 0 0 199.253 2.519 10 30 AFEERN C=C(C)Oc1cccc(C(C)=O)c1 220564753 572230761 /nfs/dbraw/zinc/23/07/61/572230761.db2.gz ROMWAXJCCPHFSV-UHFFFAOYSA-N 0 0 176.215 2.802 10 30 AFEERN Cc1ccc(C(=O)[C@H](C)C#N)c(C)c1 36931613 572231911 /nfs/dbraw/zinc/23/19/11/572231911.db2.gz STZGUHYYYGGRDH-SNVBAGLBSA-N 0 0 187.242 2.646 10 30 AFEERN Cc1ccc(C(=O)[C@@H](C)C#N)c(C)c1 36931612 572232116 /nfs/dbraw/zinc/23/21/16/572232116.db2.gz STZGUHYYYGGRDH-JTQLQIEISA-N 0 0 187.242 2.646 10 30 AFEERN CC[C@@H](C)SC[C@H](C)C#N 36985044 572233187 /nfs/dbraw/zinc/23/31/87/572233187.db2.gz GKIVRDKYUBXUMB-HTQZYQBOSA-N 0 0 157.282 2.678 10 30 AFEERN C=CCC(=O)CSC1CCCC1 83500402 572232617 /nfs/dbraw/zinc/23/26/17/572232617.db2.gz FHRBZFOXDKUPNS-UHFFFAOYSA-N 0 0 184.304 2.807 10 30 AFEERN C#C[C@H](Nc1ccc(C#N)cc1)C(C)C 300993690 572232628 /nfs/dbraw/zinc/23/26/28/572232628.db2.gz VZRAPPPNEXLEOX-ZDUSSCGKSA-N 0 0 198.269 2.628 10 30 AFEERN C=C(C)[C@H](C)[C@H](O)C(C)(C)C 220574403 572232686 /nfs/dbraw/zinc/23/26/86/572232686.db2.gz FXBDDCBSFVAMJZ-IUCAKERBSA-N 0 0 156.269 2.606 10 30 AFEERN C=CCC[C@@H](O)CS[C@@H](C)CC 83498830 572232715 /nfs/dbraw/zinc/23/27/15/572232715.db2.gz RPGBRMQNZIDIGV-VHSXEESVSA-N 0 0 188.336 2.845 10 30 AFEERN C=CCC[C@H](O)CS[C@H](C)CC 83498831 572232845 /nfs/dbraw/zinc/23/28/45/572232845.db2.gz RPGBRMQNZIDIGV-ZJUUUORDSA-N 0 0 188.336 2.845 10 30 AFEERN C[C@H](C=O)CCCC[C@H]1CCCO1 83531589 572233021 /nfs/dbraw/zinc/23/30/21/572233021.db2.gz WGIPKKDFSZBKCU-QWRGUYRKSA-N 0 0 184.279 2.561 10 30 AFEERN CC[C@H](C#N)[C@H](O)[C@H](C)CC(C)C 300993847 572233022 /nfs/dbraw/zinc/23/30/22/572233022.db2.gz WAVJCXDHVJSLHY-GMTAPVOTSA-N 0 0 183.295 2.579 10 30 AFEERN C=CCC(=O)CS[C@@H](C)CC 83498308 572233023 /nfs/dbraw/zinc/23/30/23/572233023.db2.gz NPOHGUBTFDIKIT-QMMMGPOBSA-N 0 0 172.293 2.663 10 30 AFEERN C=CCC[C@@H](O)CS[C@H](C)CC 83498829 572233090 /nfs/dbraw/zinc/23/30/90/572233090.db2.gz RPGBRMQNZIDIGV-NXEZZACHSA-N 0 0 188.336 2.845 10 30 AFEERN C=CC[C@H](O)CSC1CCCC1 83500536 572233318 /nfs/dbraw/zinc/23/33/18/572233318.db2.gz ROYQIEVPHCWILB-VIFPVBQESA-N 0 0 186.320 2.599 10 30 AFEERN CC#CCC(=O)CS[C@H](C)CC 83498311 572233427 /nfs/dbraw/zinc/23/34/27/572233427.db2.gz XQINYUPDQYORAS-SECBINFHSA-N 0 0 184.304 2.501 10 30 AFEERN C#CCCC(=O)CSC1CCCC1 83500429 572233524 /nfs/dbraw/zinc/23/35/24/572233524.db2.gz UELVQOZLAKGIHA-UHFFFAOYSA-N 0 0 196.315 2.645 10 30 AFEERN C[C@H](C=O)CCCC[C@@H]1CCCO1 83531587 572233586 /nfs/dbraw/zinc/23/35/86/572233586.db2.gz WGIPKKDFSZBKCU-WDEREUQCSA-N 0 0 184.279 2.561 10 30 AFEERN CC[C@H](C#N)[C@@H](O)[C@H](C)CC(C)C 300993853 572233609 /nfs/dbraw/zinc/23/36/09/572233609.db2.gz WAVJCXDHVJSLHY-MXWKQRLJSA-N 0 0 183.295 2.579 10 30 AFEERN C#CCCC(=O)CS[C@@H](C)CC 83498396 572233687 /nfs/dbraw/zinc/23/36/87/572233687.db2.gz AZQCFFCEKWWKOG-VIFPVBQESA-N 0 0 184.304 2.501 10 30 AFEERN C#CCC(=O)CSC1CCCCC1 83501047 572233679 /nfs/dbraw/zinc/23/36/79/572233679.db2.gz WDJDTSLRSAOLIX-UHFFFAOYSA-N 0 0 196.315 2.645 10 30 AFEERN C#CCCC(=O)CS[C@H](C)CC 83498395 572233691 /nfs/dbraw/zinc/23/36/91/572233691.db2.gz AZQCFFCEKWWKOG-SECBINFHSA-N 0 0 184.304 2.501 10 30 AFEERN CC[C@H](C#N)[C@H](O)[C@@H](C)CC(C)C 300993850 572233749 /nfs/dbraw/zinc/23/37/49/572233749.db2.gz WAVJCXDHVJSLHY-HBNTYKKESA-N 0 0 183.295 2.579 10 30 AFEERN C=CC(=O)C[C@H](C)CC(C)C 300993736 572233711 /nfs/dbraw/zinc/23/37/11/572233711.db2.gz WAAVAIPJIWYQAV-SECBINFHSA-N 0 0 154.253 2.814 10 30 AFEERN C#C[C@@H](Nc1ccc(C#N)cc1)C(C)C 300993686 572233725 /nfs/dbraw/zinc/23/37/25/572233725.db2.gz VZRAPPPNEXLEOX-CYBMUJFWSA-N 0 0 198.269 2.628 10 30 AFEERN CC[C@H](C#N)[C@@H](O)[C@@H](C)CC(C)C 300993843 572233728 /nfs/dbraw/zinc/23/37/28/572233728.db2.gz WAVJCXDHVJSLHY-AXFHLTTASA-N 0 0 183.295 2.579 10 30 AFEERN C=CCC(=O)CS[C@H](C)CC 83498307 572233778 /nfs/dbraw/zinc/23/37/78/572233778.db2.gz NPOHGUBTFDIKIT-MRVPVSSYSA-N 0 0 172.293 2.663 10 30 AFEERN C=CC[C@@H](O)CSC1CCCC1 83500537 572233788 /nfs/dbraw/zinc/23/37/88/572233788.db2.gz ROYQIEVPHCWILB-SECBINFHSA-N 0 0 186.320 2.599 10 30 AFEERN CC#CCC(=O)CSC1CCCC1 83500404 572233814 /nfs/dbraw/zinc/23/38/14/572233814.db2.gz XNAZJOLRGJKIDF-UHFFFAOYSA-N 0 0 196.315 2.645 10 30 AFEERN CC[C@H](C)SC[C@@H](C)C#N 36985043 572233837 /nfs/dbraw/zinc/23/38/37/572233837.db2.gz GKIVRDKYUBXUMB-YUMQZZPRSA-N 0 0 157.282 2.678 10 30 AFEERN C[C@@H](C=O)CCCC[C@H]1CCCO1 83531590 572233915 /nfs/dbraw/zinc/23/39/15/572233915.db2.gz WGIPKKDFSZBKCU-MNOVXSKESA-N 0 0 184.279 2.561 10 30 AFEERN C=CCC[C@H](O)CS[C@@H](C)CC 83498832 572234102 /nfs/dbraw/zinc/23/41/02/572234102.db2.gz RPGBRMQNZIDIGV-UWVGGRQHSA-N 0 0 188.336 2.845 10 30 AFEERN CC1CCC(CC[NH2+]CCC#N)CC1 70532597 572234199 /nfs/dbraw/zinc/23/41/99/572234199.db2.gz GTFTWWUGVKKLPP-UHFFFAOYSA-N 0 0 194.322 2.706 10 30 AFEERN C=CCC(=O)CC#CC(C)(C)C 300773207 572234238 /nfs/dbraw/zinc/23/42/38/572234238.db2.gz QASKKLUCXIOHEU-UHFFFAOYSA-N 0 0 164.248 2.571 10 30 AFEERN CC(C)(C)C#CC[C@@H]1CC[C@@H](O)C1 300741266 572235011 /nfs/dbraw/zinc/23/50/11/572235011.db2.gz ILBVFJDABNVDIE-GHMZBOCLSA-N 0 0 180.291 2.587 10 30 AFEERN C=CCCNc1ccc(N(C)C)cc1 70591673 572239062 /nfs/dbraw/zinc/23/90/62/572239062.db2.gz FDIHBDSHNVYPAK-UHFFFAOYSA-N 0 0 190.290 2.741 10 30 AFEERN C=CCCNc1ccc(OC)cc1 70591462 572239137 /nfs/dbraw/zinc/23/91/37/572239137.db2.gz BJVYGVZYWOZMBT-UHFFFAOYSA-N 0 0 177.247 2.683 10 30 AFEERN C=CCCNc1cccc(OC)c1 70591455 572239812 /nfs/dbraw/zinc/23/98/12/572239812.db2.gz OSMAAVRSLKQCFG-UHFFFAOYSA-N 0 0 177.247 2.683 10 30 AFEERN C=CCCCNc1ccccc1C#N 70591378 572240133 /nfs/dbraw/zinc/24/01/33/572240133.db2.gz GOJGCQGPAVGEKN-UHFFFAOYSA-N 0 0 186.258 2.936 10 30 AFEERN CCCCN([C@@H](C)C#N)[C@H](C)CC 43522350 572240168 /nfs/dbraw/zinc/24/01/68/572240168.db2.gz KCFOKLRCZTUJQZ-MNOVXSKESA-N 0 0 182.311 2.799 10 30 AFEERN C=C(C)[C@H]1CC=C(/C=C\CO)CC1 223064152 572240200 /nfs/dbraw/zinc/24/02/00/572240200.db2.gz RGVZQSMEACSDNW-MVZIDQBPSA-N 0 0 178.275 2.838 10 30 AFEERN C[C@H](C#N)OC/C=C/c1ccccc1 43522663 572240344 /nfs/dbraw/zinc/24/03/44/572240344.db2.gz BHEWEKKAHLLRNT-AYLMVEPYSA-N 0 0 187.242 2.628 10 30 AFEERN CC[C@@H]1CCC=CC[C@](C=O)(CC)O1 222919698 572241196 /nfs/dbraw/zinc/24/11/96/572241196.db2.gz ZPPJIWPJDJOGCL-NEPJUHHUSA-N 0 0 196.290 2.869 10 30 AFEERN C[C@@H](C#N)OC/C=C/c1ccccc1 43522661 572242087 /nfs/dbraw/zinc/24/20/87/572242087.db2.gz BHEWEKKAHLLRNT-BWNDKRECSA-N 0 0 187.242 2.628 10 30 AFEERN N#Cc1oc2cccc(Cl)c2c1N 144808604 572242321 /nfs/dbraw/zinc/24/23/21/572242321.db2.gz XGNIYEYACXBKNZ-UHFFFAOYSA-N 0 0 192.605 2.540 10 30 AFEERN Cc1ccc(C)c(OC[C@@H](C)C=O)c1 34750717 572243124 /nfs/dbraw/zinc/24/31/24/572243124.db2.gz UOGVQNSXAHUQGO-JTQLQIEISA-N 0 0 192.258 2.517 10 30 AFEERN Cc1ccc(C)c(OC[C@H](C)C=O)c1 34750718 572243692 /nfs/dbraw/zinc/24/36/92/572243692.db2.gz UOGVQNSXAHUQGO-SNVBAGLBSA-N 0 0 192.258 2.517 10 30 AFEERN Cc1ccc(C)c(O[C@@H](C)CC=O)c1 34750719 572243757 /nfs/dbraw/zinc/24/37/57/572243757.db2.gz KDAFIPMVTLFOEM-NSHDSACASA-N 0 0 192.258 2.660 10 30 AFEERN Cc1ccc(C)c(O[C@H](C)CC=O)c1 34750720 572243936 /nfs/dbraw/zinc/24/39/36/572243936.db2.gz KDAFIPMVTLFOEM-LLVKDONJSA-N 0 0 192.258 2.660 10 30 AFEERN CCCN(CC#N)C1CCCCC1 45092468 572244277 /nfs/dbraw/zinc/24/42/77/572244277.db2.gz NGUMJLMUZGIHRR-UHFFFAOYSA-N 0 0 180.295 2.555 10 30 AFEERN Cc1cc(F)ccc1C(C)(C)C=O 725347677 572244587 /nfs/dbraw/zinc/24/45/87/572244587.db2.gz YMQFIDBAZZFBEW-UHFFFAOYSA-N 0 0 180.222 2.611 10 30 AFEERN N#Cc1cccnc1-c1cccc(F)c1 47203938 572244643 /nfs/dbraw/zinc/24/46/43/572244643.db2.gz RNDZTCPMJHQBFG-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1cccnc1-c1ccccc1F 47203937 572245501 /nfs/dbraw/zinc/24/55/01/572245501.db2.gz VQJYVAGOMUAHTR-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CCC/C=C\C(=O)c1cccc(O)c1 223309318 572245120 /nfs/dbraw/zinc/24/51/20/572245120.db2.gz IFXONQSPOUFDBG-YWEYNIOJSA-N 0 0 190.242 2.931 10 30 AFEERN C=CC[C@@H](O)C[C@H](C)CC(=C)C 223371614 572245592 /nfs/dbraw/zinc/24/55/92/572245592.db2.gz LZXLRLQRNOYHCD-GHMZBOCLSA-N 0 0 168.280 2.916 10 30 AFEERN N#Cc1ccnc(-c2ccccc2F)c1 47203940 572245629 /nfs/dbraw/zinc/24/56/29/572245629.db2.gz JKVJELLGTIQRGQ-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN N#Cc1ccnc(-c2cccc(F)c2)c1 47203941 572246173 /nfs/dbraw/zinc/24/61/73/572246173.db2.gz HNCQTOSXWVIJCN-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CCCCCC[C@@H](C#N)NCC1CC1 37946696 572246866 /nfs/dbraw/zinc/24/68/66/572246866.db2.gz RHYNSHWXUBAODR-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN CC(C)CN[C@@H](C#N)c1ccsc1 37939102 572247062 /nfs/dbraw/zinc/24/70/62/572247062.db2.gz GTIWCKLVKSOWLT-JTQLQIEISA-N 0 0 194.303 2.558 10 30 AFEERN C[C@H]1CCC/C1=C1/CCCC1=O 223493701 572247889 /nfs/dbraw/zinc/24/78/89/572247889.db2.gz JXCZNXCYBIBGMT-VPOJCXOPSA-N 0 0 164.248 2.856 10 30 AFEERN CC[C@H](C#N)OC1CCC(C)CC1 687714828 572249784 /nfs/dbraw/zinc/24/97/84/572249784.db2.gz JNXKPAGZTPJRBS-HSOILSAZSA-N 0 0 181.279 2.884 10 30 AFEERN CC[C@@H](C#N)OC1CCC(C)CC1 687714829 572249792 /nfs/dbraw/zinc/24/97/92/572249792.db2.gz JNXKPAGZTPJRBS-YVNMAJEFSA-N 0 0 181.279 2.884 10 30 AFEERN CCCCCCCC(=O)C(C#N)C#N 117853965 572251133 /nfs/dbraw/zinc/25/11/33/572251133.db2.gz JYNJUUPJNKJAGU-UHFFFAOYSA-N 0 0 192.262 2.579 10 30 AFEERN CCCCCCCC#C/C=C\CO 224503096 572252568 /nfs/dbraw/zinc/25/25/68/572252568.db2.gz WZRBZBZXSWNPQK-KHPPLWFESA-N 0 0 180.291 2.899 10 30 AFEERN C=CC[C@@H](O)CSc1ccccc1 83501510 572326344 /nfs/dbraw/zinc/32/63/44/572326344.db2.gz WHFGWOVEWAIADE-SNVBAGLBSA-N 0 0 194.299 2.716 10 30 AFEERN C=C(C)[C@H](O)[C@H](C)/C=C\C(C)C 307975298 572327258 /nfs/dbraw/zinc/32/72/58/572327258.db2.gz FTQZTBFISQNFTC-UQRGBAIESA-N 0 0 168.280 2.772 10 30 AFEERN CCSCCC=NN[C@@H](C)CC 307975084 572327376 /nfs/dbraw/zinc/32/73/76/572327376.db2.gz KFYBRFXCYVHIMW-VIFPVBQESA-N 0 0 188.340 2.504 10 30 AFEERN CCCCC(C)=NN[C@@H](C)CC 307975457 572327414 /nfs/dbraw/zinc/32/74/14/572327414.db2.gz KQCKXVMKTIWHAG-VIFPVBQESA-N 0 0 170.300 2.941 10 30 AFEERN CCCCCCSCCC=O 238197672 572328286 /nfs/dbraw/zinc/32/82/86/572328286.db2.gz RALMGTOBRSFGND-UHFFFAOYSA-N 0 0 174.309 2.889 10 30 AFEERN O/N=C/c1csc2ccccc12 59798836 572328401 /nfs/dbraw/zinc/32/84/01/572328401.db2.gz NDBVJJLRQIIXEH-BJMVGYQFSA-N 0 0 177.228 2.709 10 30 AFEERN CCCCCCC(=O)C1=C[C@H](O)CC1 238195464 572328442 /nfs/dbraw/zinc/32/84/42/572328442.db2.gz ZEGSNPOFUBVYJG-LLVKDONJSA-N 0 0 196.290 2.607 10 30 AFEERN C=C[C@H](C)C[C@@H](O)c1ccco1 307975336 572326177 /nfs/dbraw/zinc/32/61/77/572326177.db2.gz FYDHXDMCFFAUDJ-DTWKUNHWSA-N 0 0 166.220 2.525 10 30 AFEERN C=C(C)[C@H](O)[C@@H](C)/C=C\C(C)C 307975297 572326244 /nfs/dbraw/zinc/32/62/44/572326244.db2.gz FTQZTBFISQNFTC-TWHAFNCTSA-N 0 0 168.280 2.772 10 30 AFEERN CCCC(C)=NNC(CC)CC 307974975 572326274 /nfs/dbraw/zinc/32/62/74/572326274.db2.gz JZUCKFLSBQZEIJ-UHFFFAOYSA-N 0 0 170.300 2.941 10 30 AFEERN C=CC[C@H](O)CSc1ccccc1 83501509 572326601 /nfs/dbraw/zinc/32/66/01/572326601.db2.gz WHFGWOVEWAIADE-JTQLQIEISA-N 0 0 194.299 2.716 10 30 AFEERN O=C1C=C(CCC[C@@H]2CCCO2)CC1 83547641 572328534 /nfs/dbraw/zinc/32/85/34/572328534.db2.gz HQTDCVRLOHBLLD-GFCCVEGCSA-N 0 0 194.274 2.625 10 30 AFEERN CCCCCCC(=O)[C@@H](C)CC=O 238197035 572326539 /nfs/dbraw/zinc/32/65/39/572326539.db2.gz JCASAZLQOGPRTB-JTQLQIEISA-N 0 0 184.279 2.751 10 30 AFEERN C/C=C(/CC)C(=O)CCCOCC 689521800 572328537 /nfs/dbraw/zinc/32/85/37/572328537.db2.gz YHDWSHNIOGAXOP-WMZJFQQLSA-N 0 0 184.279 2.729 10 30 AFEERN CCCC/N=C/c1ccccc1OC 238195575 572326636 /nfs/dbraw/zinc/32/66/36/572326636.db2.gz CBFRRYQQGLXUDI-JLHYYAGUSA-N 0 0 191.274 2.914 10 30 AFEERN C=CC(C=C)(CC)CCC=O 238197682 572326695 /nfs/dbraw/zinc/32/66/95/572326695.db2.gz PEEHSYDLEVTJBV-UHFFFAOYSA-N 0 0 152.237 2.734 10 30 AFEERN CCSCCC=NN[C@H](C)CC 307975083 572326898 /nfs/dbraw/zinc/32/68/98/572326898.db2.gz KFYBRFXCYVHIMW-SECBINFHSA-N 0 0 188.340 2.504 10 30 AFEERN CCCCCCC#C[C@@](C)(C=O)OC 238194183 572326952 /nfs/dbraw/zinc/32/69/52/572326952.db2.gz JRMKLXHPSORNAT-LBPRGKRZSA-N 0 0 196.290 2.564 10 30 AFEERN C#CC/C=C\CCCCCCO 307975886 572327025 /nfs/dbraw/zinc/32/70/25/572327025.db2.gz GWTCEEMWBWENQB-PLNGDYQASA-N 0 0 166.264 2.509 10 30 AFEERN CCCCCCCOCC(=O)CC 88216442 572327088 /nfs/dbraw/zinc/32/70/88/572327088.db2.gz WEJWESLWUJSKTM-UHFFFAOYSA-N 0 0 186.295 2.953 10 30 AFEERN C=C(C)C(CC)(CCO)C(=C)C 238198022 572327572 /nfs/dbraw/zinc/32/75/72/572327572.db2.gz ATXIIFLJCCOTAL-UHFFFAOYSA-N 0 0 168.280 2.917 10 30 AFEERN C=CC(=O)CC/C=C(/C)Cl 59842867 572327794 /nfs/dbraw/zinc/32/77/94/572327794.db2.gz DDGKTVGLVOCFDX-ALCCZGGFSA-N 0 0 158.628 2.664 10 30 AFEERN CCCCCCC(=O)[C@H](C)CC=O 238197279 572327878 /nfs/dbraw/zinc/32/78/78/572327878.db2.gz JCASAZLQOGPRTB-SNVBAGLBSA-N 0 0 184.279 2.751 10 30 AFEERN C=CCCCC1=C[C@@H](O)CCC1 83545431 572328134 /nfs/dbraw/zinc/32/81/34/572328134.db2.gz SDHTXZVWWYRPQI-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN CCCCNN=CC1(C)CCC1 307976638 572328210 /nfs/dbraw/zinc/32/82/10/572328210.db2.gz LSGQGJRJLMCVOF-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN C/C=C(\CC)C(=O)CCCOCC 689521797 572328378 /nfs/dbraw/zinc/32/83/78/572328378.db2.gz YHDWSHNIOGAXOP-ONNFQVAWSA-N 0 0 184.279 2.729 10 30 AFEERN C=C1[C@H](C(C)C)CC[C@@]1(C)CCO 307050774 572328621 /nfs/dbraw/zinc/32/86/21/572328621.db2.gz ICOQGCPELUOUEK-RYUDHWBXSA-N 0 0 182.307 2.997 10 30 AFEERN C#C/C(C)=C/C[C@@H]1CCCC[C@@H]1O 307005203 572328790 /nfs/dbraw/zinc/32/87/90/572328790.db2.gz DJSWXBBVAAIAMX-IMNITIESSA-N 0 0 178.275 2.507 10 30 AFEERN C=CC(C=C)(CC)CCCO 238197980 572328797 /nfs/dbraw/zinc/32/87/97/572328797.db2.gz PAVJVSVHWKNOBV-UHFFFAOYSA-N 0 0 154.253 2.527 10 30 AFEERN CCCCC[C@@H](C)/C=C/C#CCO 238200964 572329114 /nfs/dbraw/zinc/32/91/14/572329114.db2.gz ORVRVJPRSUNMKN-OFFHKIPUSA-N 0 0 180.291 2.755 10 30 AFEERN C=CCC(=O)C(C)(CC)CC 238198738 572329193 /nfs/dbraw/zinc/32/91/93/572329193.db2.gz OJFJBKJYRZONQQ-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=C[C@H]1CC(=O)C[C@@H](/C=C\C)C1 307045324 572329226 /nfs/dbraw/zinc/32/92/26/572329226.db2.gz VEIIHICOAZFQSQ-OSCQXZJKSA-N 0 0 164.248 2.734 10 30 AFEERN C=CC/C(=C/CO)c1ccccc1 238627856 572329252 /nfs/dbraw/zinc/32/92/52/572329252.db2.gz OZBVRZVSUFUTSE-LUAWRHEFSA-N 0 0 174.243 2.638 10 30 AFEERN O=CC[C@@H]1C=CCCCCC1 238621791 572329287 /nfs/dbraw/zinc/32/92/87/572329287.db2.gz GTXVDNRGVDHEEK-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN O=C1C=C(CCC[C@H]2CCCO2)CC1 83547640 572329347 /nfs/dbraw/zinc/32/93/47/572329347.db2.gz HQTDCVRLOHBLLD-LBPRGKRZSA-N 0 0 194.274 2.625 10 30 AFEERN C=C[C@@H]1C[C@@H](O)CC[C@H]1C(=C)C 307048396 572329466 /nfs/dbraw/zinc/32/94/66/572329466.db2.gz BEEVROBYEQPUQD-VWYCJHECSA-N 0 0 166.264 2.526 10 30 AFEERN CCCCCNN=CCC(C)C 307977868 572329546 /nfs/dbraw/zinc/32/95/46/572329546.db2.gz MNWNFBXTTZERPG-UHFFFAOYSA-N 0 0 170.300 2.798 10 30 AFEERN C=C(COC)[C@]1(O)CCC[C@H](C)CC1 307029149 572329572 /nfs/dbraw/zinc/32/95/72/572329572.db2.gz IWKBIVLMKNWUDW-JQWIXIFHSA-N 0 0 198.306 2.520 10 30 AFEERN C=C(CC)CNc1cc(N)cc(F)c1 307021989 572329590 /nfs/dbraw/zinc/32/95/90/572329590.db2.gz BUCZSNHCOAAKDS-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN C=CC[C@H]1NC(=S)c2ccccc21 307057672 572329657 /nfs/dbraw/zinc/32/96/57/572329657.db2.gz ZOKUAIFQKGCOKA-SNVBAGLBSA-N 0 0 189.283 2.583 10 30 AFEERN O/N=C1/Cc2ccc3ccccc3c2N1 238622064 572329776 /nfs/dbraw/zinc/32/97/76/572329776.db2.gz GHURCHHVASJDEK-UHFFFAOYSA-N 0 0 198.225 2.596 10 30 AFEERN C=C[C@H](O)[C@@H]1CCCC[C@@H]1CC 307063447 572329953 /nfs/dbraw/zinc/32/99/53/572329953.db2.gz OLZZRMIHZJSZTR-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@H](CCCCCC)C(=O)CO 238204759 572330082 /nfs/dbraw/zinc/33/00/82/572330082.db2.gz WQMXFXWGENNKGN-LLVKDONJSA-N 0 0 198.306 2.711 10 30 AFEERN COCCCC1=CC(=O)CC(C)(C)C1 83546657 572330110 /nfs/dbraw/zinc/33/01/10/572330110.db2.gz MJMFZTOBNINUMI-UHFFFAOYSA-N 0 0 196.290 2.729 10 30 AFEERN C=C[C@H](C)[C@@H](C)CC(=O)CC 238201951 572330352 /nfs/dbraw/zinc/33/03/52/572330352.db2.gz KGMKLOIVELMAMW-IUCAKERBSA-N 0 0 154.253 2.814 10 30 AFEERN CCC(C=O)(CC)[C@H](C)SC 238203524 572333073 /nfs/dbraw/zinc/33/30/73/572333073.db2.gz QWLOJQGNFJACSS-QMMMGPOBSA-N 0 0 174.309 2.743 10 30 AFEERN C=C[C@H]1C=CC[C@@H]1CC(=O)CC 238202641 572330455 /nfs/dbraw/zinc/33/04/55/572330455.db2.gz IMNDKKUBHYPHJA-VHSXEESVSA-N 0 0 164.248 2.734 10 30 AFEERN CCCCCCCC(=O)SCO 238202957 572330594 /nfs/dbraw/zinc/33/05/94/572330594.db2.gz CLPPLJRTJSNTLQ-UHFFFAOYSA-N 0 0 190.308 2.557 10 30 AFEERN C=CCCCC1=C[C@H](O)CCC1 83545429 572330646 /nfs/dbraw/zinc/33/06/46/572330646.db2.gz SDHTXZVWWYRPQI-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H]1C=CC[C@H]1CC(=O)CC 238201222 572330763 /nfs/dbraw/zinc/33/07/63/572330763.db2.gz IMNDKKUBHYPHJA-UWVGGRQHSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@@H]1C=CC[C@H]1CC(=O)CC 238201242 572330925 /nfs/dbraw/zinc/33/09/25/572330925.db2.gz IMNDKKUBHYPHJA-ZJUUUORDSA-N 0 0 164.248 2.734 10 30 AFEERN C#CC[C@H](C)Nc1ncc(CC)s1 307093529 572331066 /nfs/dbraw/zinc/33/10/66/572331066.db2.gz NZSBGJRMZUVVOE-QMMMGPOBSA-N 0 0 194.303 2.529 10 30 AFEERN O=CCc1ccc2c(c1)C1=C(CCC1)C2 238624829 572331128 /nfs/dbraw/zinc/33/11/28/572331128.db2.gz SDTMFOLRVXEIKS-UHFFFAOYSA-N 0 0 198.265 2.922 10 30 AFEERN C=C/C=C\CCC[C@H](O)C(=C)C 307979441 572331252 /nfs/dbraw/zinc/33/12/52/572331252.db2.gz MOHYCKKDEMNGIE-GZTOBOFZSA-N 0 0 166.264 2.836 10 30 AFEERN CC1(C)CCCCC=CC1=O 238201258 572331288 /nfs/dbraw/zinc/33/12/88/572331288.db2.gz DOCFDIKIEZWAIV-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C/C=C\CCC[C@@H](O)C(=C)C 307979442 572331295 /nfs/dbraw/zinc/33/12/95/572331295.db2.gz MOHYCKKDEMNGIE-ISALQUGTSA-N 0 0 166.264 2.836 10 30 AFEERN CC#C[C@](C)(O)c1ccccc1Cl 307086801 572331381 /nfs/dbraw/zinc/33/13/81/572331381.db2.gz KPQKIVRBXCCUOR-NSHDSACASA-N 0 0 194.661 2.571 10 30 AFEERN C=C[C@@H](C)[C@@H](C)CC(=O)CC 238201983 572331396 /nfs/dbraw/zinc/33/13/96/572331396.db2.gz KGMKLOIVELMAMW-BDAKNGLRSA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)[C@H]1C(=C)CO 307047150 572331422 /nfs/dbraw/zinc/33/14/22/572331422.db2.gz ZTFJPFOXCPUYHI-DLOVCJGASA-N 0 0 180.291 2.773 10 30 AFEERN C=C[C@@H](CC(=O)CC)C(C)C 238202075 572331481 /nfs/dbraw/zinc/33/14/81/572331481.db2.gz UIOWCQKPXSRCGQ-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C)CC1=C[C@@H](O)C[C@@H](C)C1 307027241 572331514 /nfs/dbraw/zinc/33/15/14/572331514.db2.gz ZPRAVQUTICJTQM-ONGXEEELSA-N 0 0 166.264 2.670 10 30 AFEERN CCCCCCCC(F)(F)CO 238203580 572331533 /nfs/dbraw/zinc/33/15/33/572331533.db2.gz MNOVIENTMOIGKS-UHFFFAOYSA-N 0 0 180.238 2.975 10 30 AFEERN C#CC(=O)C(C=C=CC)(CC)CC 238203363 572331649 /nfs/dbraw/zinc/33/16/49/572331649.db2.gz TYRCWIJMMLRBIC-UHFFFAOYSA-N 0 0 176.259 2.726 10 30 AFEERN CCC(C=O)(CC)[C@@H](C)SC 238203498 572331746 /nfs/dbraw/zinc/33/17/46/572331746.db2.gz QWLOJQGNFJACSS-MRVPVSSYSA-N 0 0 174.309 2.743 10 30 AFEERN C=C[C@H](O)[C@H]1CCC[C@H](CC)C1 307073565 572331801 /nfs/dbraw/zinc/33/18/01/572331801.db2.gz JRBBEFXOGHQINS-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@H]1CC=C[C@H]1CC(=O)CC 238201106 572331858 /nfs/dbraw/zinc/33/18/58/572331858.db2.gz ZKUFIPBAIXILTR-ZJUUUORDSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@H]1CC=C[C@H]1CC(=O)CC 238201080 572331924 /nfs/dbraw/zinc/33/19/24/572331924.db2.gz ZKUFIPBAIXILTR-UWVGGRQHSA-N 0 0 164.248 2.734 10 30 AFEERN CC1(C)[C@@H](C=O)[C@@]12C=Cc1ccccc12 238203694 572333158 /nfs/dbraw/zinc/33/31/58/572333158.db2.gz RTNSEKOLYXHRML-OCCSQVGLSA-N 0 0 198.265 2.806 10 30 AFEERN C=CC[P@@](=O)(CC=O)OC(C)C 238204887 572332121 /nfs/dbraw/zinc/33/21/21/572332121.db2.gz PHTVFKDODQIZRV-PZBABLGHSA-N 0 0 190.179 2.905 10 30 AFEERN CCC(C#N)(CC)C(=O)C(C)C 238201239 572332229 /nfs/dbraw/zinc/33/22/29/572332229.db2.gz RIIFAROBAHTQHY-UHFFFAOYSA-N 0 0 167.252 2.541 10 30 AFEERN CC(C)CC[C@@H](O)C1(C#N)CCCC1 394053072 572332270 /nfs/dbraw/zinc/33/22/70/572332270.db2.gz IVOOVNQTNXQOSF-LLVKDONJSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@]12CCCC[C@H]1CC[C@H](O)C2 307085323 572332273 /nfs/dbraw/zinc/33/22/73/572332273.db2.gz MGVOQSLUKAJEOQ-SDDRHHMPSA-N 0 0 180.291 2.894 10 30 AFEERN C=C[C@@H]1CC=C[C@@H]1CC(=O)CC 238202583 572332308 /nfs/dbraw/zinc/33/23/08/572332308.db2.gz ZKUFIPBAIXILTR-NXEZZACHSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@H]1CC=C[C@@H]1CC(=O)CC 238202568 572332333 /nfs/dbraw/zinc/33/23/33/572332333.db2.gz ZKUFIPBAIXILTR-VHSXEESVSA-N 0 0 164.248 2.734 10 30 AFEERN CCCCCC[C@@H](C)[C@H](C#N)CO 238203320 572332369 /nfs/dbraw/zinc/33/23/69/572332369.db2.gz CCEWVRKQGMDHAD-GHMZBOCLSA-N 0 0 183.295 2.725 10 30 AFEERN CCC(C=O)(CC)C(C=O)(CC)CC 238203389 572332618 /nfs/dbraw/zinc/33/26/18/572332618.db2.gz AGTNGGJXORZUBL-UHFFFAOYSA-N 0 0 198.306 2.997 10 30 AFEERN C/C(=N/O)[C@H](Cl)c1ccccc1 59987352 572332628 /nfs/dbraw/zinc/33/26/28/572332628.db2.gz JIMRVZGQHAUYPJ-MKVDPYIPSA-N 0 0 183.638 2.817 10 30 AFEERN CC1(C)[C@@H](C=O)[C@]12C=Cc1ccccc12 238203802 572332677 /nfs/dbraw/zinc/33/26/77/572332677.db2.gz RTNSEKOLYXHRML-TZMCWYRMSA-N 0 0 198.265 2.806 10 30 AFEERN CCCCCC[C@@H](C)[C@@H](C#N)CO 238203540 572332699 /nfs/dbraw/zinc/33/26/99/572332699.db2.gz CCEWVRKQGMDHAD-MNOVXSKESA-N 0 0 183.295 2.725 10 30 AFEERN CC(C)N[C@H](C#N)CC1=CCCCC1 238201305 572332765 /nfs/dbraw/zinc/33/27/65/572332765.db2.gz BGNBRCCKONCKOU-LBPRGKRZSA-N 0 0 192.306 2.767 10 30 AFEERN C=C(C)CC1=C[C@@H](O)C[C@H](C)C1 307027239 572332920 /nfs/dbraw/zinc/33/29/20/572332920.db2.gz ZPRAVQUTICJTQM-KOLCDFICSA-N 0 0 166.264 2.670 10 30 AFEERN CCCCCC[C@@H](CC=O)OCC 238204864 572332926 /nfs/dbraw/zinc/33/29/26/572332926.db2.gz TXDIPEZCHRNOEI-NSHDSACASA-N 0 0 186.295 2.951 10 30 AFEERN C=C[C@H](O)/C(F)=C(\F)CCCC 307979395 572333067 /nfs/dbraw/zinc/33/30/67/572333067.db2.gz MIBLJPNIURYMNH-INTFFVIUSA-N 0 0 176.206 2.874 10 30 AFEERN C#C[C@H](O)[C@]1(C)C(=C)CCCC1(C)C 307171951 572333750 /nfs/dbraw/zinc/33/37/50/572333750.db2.gz HJNBJMAWSFSOTK-AAEUAGOBSA-N 0 0 192.302 2.753 10 30 AFEERN C=C[C@]12CCCC(=O)[C@@H]1CC[C@H]2C 307082716 572333419 /nfs/dbraw/zinc/33/34/19/572333419.db2.gz JXIOQVHDPUGBJM-JFGNBEQYSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@H](/C=C/CO)c1cccs1 238633938 572333607 /nfs/dbraw/zinc/33/36/07/572333607.db2.gz RYLRUZKJSLXMJY-YVGDHZEHSA-N 0 0 194.299 2.956 10 30 AFEERN C=C[C@H](C/C=C/CO)c1ccccc1 238632451 572333624 /nfs/dbraw/zinc/33/36/24/572333624.db2.gz CHPHVZUDIYCIKE-NNNHXZLVSA-N 0 0 188.270 2.895 10 30 AFEERN C=C[C@H](C)c1noc([C@@H](C)CC)n1 349603487 572333642 /nfs/dbraw/zinc/33/36/42/572333642.db2.gz MVZWDGWNFQOPSR-YUMQZZPRSA-N 0 0 180.251 2.873 10 30 AFEERN C=C[C@@H](C)Nc1cc(C)c(C)cc1N 307045398 572333695 /nfs/dbraw/zinc/33/36/95/572333695.db2.gz VJXHWFOYAQFYTQ-SNVBAGLBSA-N 0 0 190.290 2.872 10 30 AFEERN C=C(C/C=C/CO)c1ccccc1 238630612 572333746 /nfs/dbraw/zinc/33/37/46/572333746.db2.gz OZVZALYOAZDCRM-AATRIKPKSA-N 0 0 174.243 2.638 10 30 AFEERN C=C(C)c1ccc(OC)c(Cl)n1 307019161 572333803 /nfs/dbraw/zinc/33/38/03/572333803.db2.gz XVUZHTKDIVPMOR-UHFFFAOYSA-N 0 0 183.638 2.777 10 30 AFEERN C=C1C[C@H]2[C@@H](C[C@@H]1[C@H](C)O)C2(C)C 307000193 572333809 /nfs/dbraw/zinc/33/38/09/572333809.db2.gz BRHCJBBLJXWECD-XWLWVQCSSA-N 0 0 180.291 2.606 10 30 AFEERN C=C[C@@H](C)c1noc([C@@H](C)CC)n1 349603486 572333909 /nfs/dbraw/zinc/33/39/09/572333909.db2.gz MVZWDGWNFQOPSR-SFYZADRCSA-N 0 0 180.251 2.873 10 30 AFEERN C=C(C)[C@H](O)CC1=CCCCC1 307003665 572334029 /nfs/dbraw/zinc/33/40/29/572334029.db2.gz IYELARSTAZFXDN-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H](C)c1noc([C@H](C)CC)n1 349603485 572334038 /nfs/dbraw/zinc/33/40/38/572334038.db2.gz MVZWDGWNFQOPSR-JGVFFNPUSA-N 0 0 180.251 2.873 10 30 AFEERN C=C(C)CC1=C[C@H](O)C[C@@H](C)C1 307027238 572334054 /nfs/dbraw/zinc/33/40/54/572334054.db2.gz ZPRAVQUTICJTQM-GXSJLCMTSA-N 0 0 166.264 2.670 10 30 AFEERN CC[C@@H](C)NN=CC1CCCC1 307979242 572334099 /nfs/dbraw/zinc/33/40/99/572334099.db2.gz NSKXXUYENDMRSE-SECBINFHSA-N 0 0 168.284 2.551 10 30 AFEERN CC[C@H](C)NN=CC1CCCC1 307979244 572334176 /nfs/dbraw/zinc/33/41/76/572334176.db2.gz NSKXXUYENDMRSE-VIFPVBQESA-N 0 0 168.284 2.551 10 30 AFEERN C=C[C@@H](C)c1noc([C@H](C)SC)n1 349603912 572334228 /nfs/dbraw/zinc/33/42/28/572334228.db2.gz NMRAQNXLSHWUPS-RQJHMYQMSA-N 0 0 198.291 2.783 10 30 AFEERN C=C[C@@H](O)/C(F)=C(\F)CCCC 307979396 572334264 /nfs/dbraw/zinc/33/42/64/572334264.db2.gz MIBLJPNIURYMNH-KGOFQHAKSA-N 0 0 176.206 2.874 10 30 AFEERN C=C[C@H](O)C(CC)(CC)CC 238205663 572334304 /nfs/dbraw/zinc/33/43/04/572334304.db2.gz HBDGMCWLSAHJRV-VIFPVBQESA-N 0 0 156.269 2.750 10 30 AFEERN C=CC[P@](=O)(CC=O)OC(C)C 238205364 572334326 /nfs/dbraw/zinc/33/43/26/572334326.db2.gz PHTVFKDODQIZRV-HOSRBBHYSA-N 0 0 190.179 2.905 10 30 AFEERN C=C[C@@H]1C=Cc2ccccc2[C@@H]1O 307103202 572334480 /nfs/dbraw/zinc/33/44/80/572334480.db2.gz BOOJYNXYPINJJN-BXKDBHETSA-N 0 0 172.227 2.549 10 30 AFEERN O=C1C=C2CCC=CCC[C@H]2C1 238630463 572334500 /nfs/dbraw/zinc/33/45/00/572334500.db2.gz ULELPURWUOUABE-JTQLQIEISA-N 0 0 162.232 2.632 10 30 AFEERN CCCOc1cccc(CS)c1 86895287 572334522 /nfs/dbraw/zinc/33/45/22/572334522.db2.gz HIWFIKUICUAZLV-UHFFFAOYSA-N 0 0 182.288 2.905 10 30 AFEERN CCCCCC#C/C=C(\C)CO 307979372 572334619 /nfs/dbraw/zinc/33/46/19/572334619.db2.gz MEALMAZENDHNLN-PKNBQFBNSA-N 0 0 166.264 2.509 10 30 AFEERN C=C[C@@H]1[C@@H](CO)C[C@@H]2CC(C)(C)C[C@H]12 307042633 572334640 /nfs/dbraw/zinc/33/46/40/572334640.db2.gz SELGYUFHWLYJNJ-KKOKHZNYSA-N 0 0 194.318 2.853 10 30 AFEERN CCCCCCCCc1cc(=O)[nH][nH]1 238205802 572334669 /nfs/dbraw/zinc/33/46/69/572334669.db2.gz WXMRTCJDNCJBRD-UHFFFAOYSA-N 0 0 196.294 2.613 10 30 AFEERN C=CCCCC(=O)CCC/C=C/CO 238631027 572334763 /nfs/dbraw/zinc/33/47/63/572334763.db2.gz ZPGAFSLZEVHWOQ-VMPITWQZSA-N 0 0 196.290 2.631 10 30 AFEERN C=CC[C@H](/C=C/CO)c1cccs1 238633329 572334869 /nfs/dbraw/zinc/33/48/69/572334869.db2.gz RYLRUZKJSLXMJY-QLCVYAKKSA-N 0 0 194.299 2.956 10 30 AFEERN C=C[C@@H](O)C(CC)(CC)CC 238205745 572334872 /nfs/dbraw/zinc/33/48/72/572334872.db2.gz HBDGMCWLSAHJRV-SECBINFHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCCCc1nc(C(C)C)no1 349602556 572334929 /nfs/dbraw/zinc/33/49/29/572334929.db2.gz BRGKHRLDHZXRLM-UHFFFAOYSA-N 0 0 180.251 2.702 10 30 AFEERN C=C(Br)CC(C)(C)C=O 196742134 572334967 /nfs/dbraw/zinc/33/49/67/572334967.db2.gz SILDRJIGMCJKTN-UHFFFAOYSA-N 0 0 191.068 2.510 10 30 AFEERN N#CCCCC(=O)C1CCCCC1 238632246 572335020 /nfs/dbraw/zinc/33/50/20/572335020.db2.gz KSYPNZYSOFCJBZ-UHFFFAOYSA-N 0 0 179.263 2.830 10 30 AFEERN C=C[C@@H](C)c1noc([C@@H](C)SC)n1 349603911 572335113 /nfs/dbraw/zinc/33/51/13/572335113.db2.gz NMRAQNXLSHWUPS-RNFRBKRXSA-N 0 0 198.291 2.783 10 30 AFEERN C=CCCCc1nc(CCC)no1 349603025 572335165 /nfs/dbraw/zinc/33/51/65/572335165.db2.gz JAEKHVWELFPDIJ-UHFFFAOYSA-N 0 0 180.251 2.531 10 30 AFEERN C=CCCc1nc(CCCC)no1 349602883 572335182 /nfs/dbraw/zinc/33/51/82/572335182.db2.gz FKJGMVQNALMEDX-UHFFFAOYSA-N 0 0 180.251 2.531 10 30 AFEERN CCCCCC[C@@H]1CCC[C@H](C=O)[NH2+]1 238212833 572335496 /nfs/dbraw/zinc/33/54/96/572335496.db2.gz RAAYUGDDIFQGJX-VXGBXAGGSA-N 0 0 197.322 2.666 10 30 AFEERN C=CC#C[C@H](O)[C@@H](CC)CCCC 238207269 572335798 /nfs/dbraw/zinc/33/57/98/572335798.db2.gz GKZOFTSRECIKNY-RYUDHWBXSA-N 0 0 180.291 2.753 10 30 AFEERN CCCCC[C@H](C#CCO)CCC 238208769 572335983 /nfs/dbraw/zinc/33/59/83/572335983.db2.gz LZRUYZWYMXNNJC-GFCCVEGCSA-N 0 0 182.307 2.979 10 30 AFEERN C=C(C)C(=C=CCCC)[C@H](C)O 238212753 572336021 /nfs/dbraw/zinc/33/60/21/572336021.db2.gz HYMLDWDMCCTFSY-HTLJXXAVSA-N 0 0 166.264 2.825 10 30 AFEERN CC[C@@H](CC=O)c1ccc(F)cc1 107168516 572336114 /nfs/dbraw/zinc/33/61/14/572336114.db2.gz CNCCRHMYRYVKLO-VIFPVBQESA-N 0 0 180.222 2.908 10 30 AFEERN C#C[C@@H](CCCCC)CC(C)=O 238207521 572336183 /nfs/dbraw/zinc/33/61/83/572336183.db2.gz LLVMKFDXIRCWRS-NSHDSACASA-N 0 0 166.264 2.795 10 30 AFEERN C=C(CCO)C(=C)c1ccccc1 238636272 572336881 /nfs/dbraw/zinc/33/68/81/572336881.db2.gz GKAGZGRHIPQMAM-UHFFFAOYSA-N 0 0 174.243 2.638 10 30 AFEERN C=CC#C[C@@H](O)[C@@H](CC)CCCC 238208716 572336374 /nfs/dbraw/zinc/33/63/74/572336374.db2.gz GKZOFTSRECIKNY-NWDGAFQWSA-N 0 0 180.291 2.753 10 30 AFEERN CCCCC[C@H](C=O)CCCCO 238209147 572336390 /nfs/dbraw/zinc/33/63/90/572336390.db2.gz LQPNUJOWYOUHHP-NSHDSACASA-N 0 0 186.295 2.544 10 30 AFEERN CC(C)CCCC[C@@H]1CO1 60140024 572336444 /nfs/dbraw/zinc/33/64/44/572336444.db2.gz LMLCSNTWJQTPFL-SECBINFHSA-N 0 0 142.242 2.602 10 30 AFEERN C=C(Cc1ccccc1)[C@@H](O)C(C)C 238208677 572336489 /nfs/dbraw/zinc/33/64/89/572336489.db2.gz SAMXDBJGTHJCJI-ZDUSSCGKSA-N 0 0 190.286 2.802 10 30 AFEERN CCCCCC[C@@H](O)C#CC(F)F 238209088 572336532 /nfs/dbraw/zinc/33/65/32/572336532.db2.gz GPHLIMKHZNZHCT-SECBINFHSA-N 0 0 190.233 2.586 10 30 AFEERN CC(C)=CCCC(C=O)(C=O)C(C)C 238208292 572336553 /nfs/dbraw/zinc/33/65/53/572336553.db2.gz WSMDZKUDRFDNNC-UHFFFAOYSA-N 0 0 196.290 2.773 10 30 AFEERN CC1=C(CCCCC=O)C(=O)CCC1 238208500 572336685 /nfs/dbraw/zinc/33/66/85/572336685.db2.gz QPKHWYOKFLHHGS-UHFFFAOYSA-N 0 0 194.274 2.815 10 30 AFEERN C=CCCC1=CC[C@H](CO)C1(C)C 238206642 572336803 /nfs/dbraw/zinc/33/68/03/572336803.db2.gz DOKJKDFPVZYAPD-LLVKDONJSA-N 0 0 180.291 2.917 10 30 AFEERN C=C[C@H](CCO)CCCCC 238209277 572336863 /nfs/dbraw/zinc/33/68/63/572336863.db2.gz RSOGHKMGTPXOBW-JTQLQIEISA-N 0 0 156.269 2.751 10 30 AFEERN CCCC[C@@H](CC)[C@@H](F)C=O 238208442 572336969 /nfs/dbraw/zinc/33/69/69/572336969.db2.gz QVQHQGJKXRNNQL-BDAKNGLRSA-N 0 0 160.232 2.740 10 30 AFEERN CCCCC[C@@H](C=O)[C@@H](C)C(C)=O 238207143 572337113 /nfs/dbraw/zinc/33/71/13/572337113.db2.gz YXFVFTIVNSSQLV-ONGXEEELSA-N 0 0 184.279 2.607 10 30 AFEERN C=CC[C@H](CCCCC)OCCO 238208482 572337217 /nfs/dbraw/zinc/33/72/17/572337217.db2.gz NNASWLXAHWWJHW-LLVKDONJSA-N 0 0 186.295 2.520 10 30 AFEERN C=C(OC(C)(C)C(C)C)C(C)=O 238206964 572337286 /nfs/dbraw/zinc/33/72/86/572337286.db2.gz PMZPPIBJCHKWOW-UHFFFAOYSA-N 0 0 170.252 2.540 10 30 AFEERN C=CCNN=CCCCCCC 307981287 572337336 /nfs/dbraw/zinc/33/73/36/572337336.db2.gz OVHWJIVNZGQZFD-UHFFFAOYSA-N 0 0 168.284 2.718 10 30 AFEERN CCCCC[C@@H](CCCC=O)OC 238209079 572337354 /nfs/dbraw/zinc/33/73/54/572337354.db2.gz WWSREBDVOGXRHV-NSHDSACASA-N 0 0 186.295 2.951 10 30 AFEERN C=C(C)C#C[C@H](O)CCCCCC 238209071 572337427 /nfs/dbraw/zinc/33/74/27/572337427.db2.gz PCNALOLRSPOVBH-GFCCVEGCSA-N 0 0 180.291 2.897 10 30 AFEERN CC(C)CCCC[C@H]1CO1 60140025 572337498 /nfs/dbraw/zinc/33/74/98/572337498.db2.gz LMLCSNTWJQTPFL-VIFPVBQESA-N 0 0 142.242 2.602 10 30 AFEERN C#CC[C@H](CO)CCCCCC 238205983 572337548 /nfs/dbraw/zinc/33/75/48/572337548.db2.gz UDZMYYIUASAVOC-NSHDSACASA-N 0 0 168.280 2.589 10 30 AFEERN CCCCCC[C@@H]1CCC[C@@H](C=O)[NH2+]1 238212740 572337602 /nfs/dbraw/zinc/33/76/02/572337602.db2.gz RAAYUGDDIFQGJX-NEPJUHHUSA-N 0 0 197.322 2.666 10 30 AFEERN C=C1[C@@H](C[C@@H](C)O)[C@]1(C)C(C)C 307109688 572337604 /nfs/dbraw/zinc/33/76/04/572337604.db2.gz HCLOLQDZVVOKNL-FBIMIBRVSA-N 0 0 168.280 2.606 10 30 AFEERN Cc1ccc(C[C@@H](C=O)C(C)C)o1 107168549 572337908 /nfs/dbraw/zinc/33/79/08/572337908.db2.gz KDQJQNBHPFAGAH-JTQLQIEISA-N 0 0 180.247 2.602 10 30 AFEERN CCCCC[C@H](C=O)CCC#N 238208638 572337933 /nfs/dbraw/zinc/33/79/33/572337933.db2.gz PDTGGFIBTFHUAO-JTQLQIEISA-N 0 0 167.252 2.686 10 30 AFEERN Cc1ccc(-c2oc(C)nc2C#N)cc1 77296332 572339536 /nfs/dbraw/zinc/33/95/36/572339536.db2.gz OMQXYHJNDVXNQL-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN CCCCC[C@@H](C=O)[C@H](C)C(C)=O 238207250 572338161 /nfs/dbraw/zinc/33/81/61/572338161.db2.gz YXFVFTIVNSSQLV-KOLCDFICSA-N 0 0 184.279 2.607 10 30 AFEERN CCCCC[C@H](C=O)CCC(C)=O 238208697 572338196 /nfs/dbraw/zinc/33/81/96/572338196.db2.gz DDQGXOGKZAZQMM-NSHDSACASA-N 0 0 184.279 2.751 10 30 AFEERN CCCCCNN=CCCSC 307982000 572338313 /nfs/dbraw/zinc/33/83/13/572338313.db2.gz PEAAEIZJSRSUQZ-UHFFFAOYSA-N 0 0 188.340 2.505 10 30 AFEERN C=C[C@H](C)[C@H]1CC[C@H](C)C(=O)C1 307176151 572338329 /nfs/dbraw/zinc/33/83/29/572338329.db2.gz GYQPKEUEYPBXAI-GUBZILKMSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)C(=C=CCCC)[C@@H](C)O 238212736 572338334 /nfs/dbraw/zinc/33/83/34/572338334.db2.gz HYMLDWDMCCTFSY-LHIURRSHSA-N 0 0 166.264 2.825 10 30 AFEERN C=CC#C[C@H](O)[C@H](CC)CCCC 238208823 572338362 /nfs/dbraw/zinc/33/83/62/572338362.db2.gz GKZOFTSRECIKNY-NEPJUHHUSA-N 0 0 180.291 2.753 10 30 AFEERN CC(C)C[C@H](C=O)Cc1ccco1 107168555 572338443 /nfs/dbraw/zinc/33/84/43/572338443.db2.gz WCSONERXZYDJEU-JTQLQIEISA-N 0 0 180.247 2.683 10 30 AFEERN C=CC[C@@H](C=C)C[C@@H](O)C(C)C 238213061 572339106 /nfs/dbraw/zinc/33/91/06/572339106.db2.gz QPWGGZRWINEMFY-GHMZBOCLSA-N 0 0 168.280 2.772 10 30 AFEERN O=C1C=C(c2ccc3ncoc3c2)CC1 77296540 572339058 /nfs/dbraw/zinc/33/90/58/572339058.db2.gz UMEYFVCTWFYPNU-UHFFFAOYSA-N 0 0 199.209 2.574 10 30 AFEERN C=CCO[C@@H](C=O)CCCCCC 238211880 572339442 /nfs/dbraw/zinc/33/94/42/572339442.db2.gz WPPIIBVPAZBVID-LLVKDONJSA-N 0 0 184.279 2.727 10 30 AFEERN C=CCC[C@@H](O)C1=C(C)CCC1 238214507 572339463 /nfs/dbraw/zinc/33/94/63/572339463.db2.gz RXVAKAPJZBMXBO-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H](C=C(C)C)[C@@H](O)/C=C\C 307983475 572339610 /nfs/dbraw/zinc/33/96/10/572339610.db2.gz QXOPHVYSCRMXRL-PYIHCCSZSA-N 0 0 166.264 2.692 10 30 AFEERN C=C[C@H](C=C(C)C)[C@H](O)/C=C\C 307983473 572339769 /nfs/dbraw/zinc/33/97/69/572339769.db2.gz QXOPHVYSCRMXRL-BHQLTRLXSA-N 0 0 166.264 2.692 10 30 AFEERN C=CCCC(=O)C=C=CCCC 238214325 572339973 /nfs/dbraw/zinc/33/99/73/572339973.db2.gz UJUDAQIHYCFSDZ-UHFFFAOYSA-N 0 0 164.248 2.715 10 30 AFEERN CCc1cnc(CC)c(N=[N+]=[N-])n1 39385192 572340002 /nfs/dbraw/zinc/34/00/02/572340002.db2.gz XFZKDOHHZLSOJP-UHFFFAOYSA-N 0 0 177.211 2.543 10 30 AFEERN CC/C=C(/C)[C@@H](O)C#CCCC 307982945 572340003 /nfs/dbraw/zinc/34/00/03/572340003.db2.gz PZJKPWNEWNKKBM-IEHMKBBKSA-N 0 0 166.264 2.507 10 30 AFEERN CCCCC#CCC/C=C/[C@@H](C)O 238214895 572340243 /nfs/dbraw/zinc/34/02/43/572340243.db2.gz SMUGNUXMXHDHPA-HCRIHEDKSA-N 0 0 180.291 2.897 10 30 AFEERN C=CCC[C@H](O)C1=C(C)CCC1 238214300 572340253 /nfs/dbraw/zinc/34/02/53/572340253.db2.gz RXVAKAPJZBMXBO-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)[C@@H](CC(C)C)C(C)=O 196602109 572340267 /nfs/dbraw/zinc/34/02/67/572340267.db2.gz NRYLJJPSYJZNRW-SNVBAGLBSA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@H](O)CCC[C@H](C)/C=C/C 307982238 572340277 /nfs/dbraw/zinc/34/02/77/572340277.db2.gz PKWSIZXRBAGLHY-CEIHKIRRSA-N 0 0 168.280 2.916 10 30 AFEERN Cc1cc(CCCCS)c(C)n1C 77296290 572340308 /nfs/dbraw/zinc/34/03/08/572340308.db2.gz MJCPVKFITDCIGD-UHFFFAOYSA-N 0 0 197.347 2.894 10 30 AFEERN CC#C[C@H](C)[C@H](O)CCCCC 238215660 572340468 /nfs/dbraw/zinc/34/04/68/572340468.db2.gz AEZHMURIHKYKGB-WDEREUQCSA-N 0 0 168.280 2.587 10 30 AFEERN C=C[C@H](O)C(=C=CCCC)CC 238212636 572340558 /nfs/dbraw/zinc/34/05/58/572340558.db2.gz CNYZOAQDFAAZAK-UMJHXOGRSA-N 0 0 166.264 2.825 10 30 AFEERN CCCCCCC=NNC1CC1 307982868 572340676 /nfs/dbraw/zinc/34/06/76/572340676.db2.gz PWTCPQLXSMFPNK-UHFFFAOYSA-N 0 0 168.284 2.695 10 30 AFEERN C=CC(C)(C)CC[C@@H](O)C(C)C 238211918 572340798 /nfs/dbraw/zinc/34/07/98/572340798.db2.gz CBDRSZPMTIBYNN-SNVBAGLBSA-N 0 0 170.296 2.996 10 30 AFEERN C=C(C)CCC/C(=C\CO)SC 307983435 572340839 /nfs/dbraw/zinc/34/08/39/572340839.db2.gz QTWNKSCWIDSECN-JXMROGBWSA-N 0 0 186.320 2.972 10 30 AFEERN Cc1nc(C#N)c(-c2ccccc2C)o1 77296330 572340852 /nfs/dbraw/zinc/34/08/52/572340852.db2.gz UXSRHAMYIAHDEB-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN CC(C)c1ccc2[nH]c(N)c(C#N)c2c1 238215674 572340860 /nfs/dbraw/zinc/34/08/60/572340860.db2.gz XUMPGUKEDUKTAN-UHFFFAOYSA-N 0 0 199.257 2.745 10 30 AFEERN CCCC#C[C@H](O)/C=C/CCC 238215526 572340882 /nfs/dbraw/zinc/34/08/82/572340882.db2.gz MKVAGWFXKZZKJS-MXMFLMJRSA-N 0 0 166.264 2.507 10 30 AFEERN CCCC[C@@H](C=O)Cc1nccs1 238214438 572340952 /nfs/dbraw/zinc/34/09/52/572340952.db2.gz WXGJPOVBONZZRK-SECBINFHSA-N 0 0 197.303 2.691 10 30 AFEERN C=C[C@H](O)/C(=C\CCC)CC 238212176 572341214 /nfs/dbraw/zinc/34/12/14/572341214.db2.gz JIGDDUJESLDRRO-QROTZFDESA-N 0 0 154.253 2.670 10 30 AFEERN C=CCC[C@H](O)/C=C/CCC 238215708 572341221 /nfs/dbraw/zinc/34/12/21/572341221.db2.gz XYIQUMIAHAOPRH-PCYYEKQGSA-N 0 0 154.253 2.670 10 30 AFEERN CC/C=C(/C)[C@H](O)C#CCCC 307982943 572341288 /nfs/dbraw/zinc/34/12/88/572341288.db2.gz PZJKPWNEWNKKBM-HIJJYWJESA-N 0 0 166.264 2.507 10 30 AFEERN Cc1cccc(-c2oc(C)nc2C#N)c1 77296331 572341293 /nfs/dbraw/zinc/34/12/93/572341293.db2.gz ZDUWBHDCVDNZIE-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C=C[C@@H]1C[C@]2(C)CC(=O)C[C@]12C 307141821 572342603 /nfs/dbraw/zinc/34/26/03/572342603.db2.gz JAYJQQCZMDUHBA-FBIMIBRVSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@H]1CCCC(=O)C1(C)C 222097392 572341545 /nfs/dbraw/zinc/34/15/45/572341545.db2.gz FCJDEMKUKYEQHB-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H](O)/C(=C\CCC)CC 238212412 572341570 /nfs/dbraw/zinc/34/15/70/572341570.db2.gz JIGDDUJESLDRRO-HSTULFTRSA-N 0 0 154.253 2.670 10 30 AFEERN CCCCCC[C@@H]1OCC[C@@H]1C=O 238214774 572341628 /nfs/dbraw/zinc/34/16/28/572341628.db2.gz UCIMUOXDCYEHLL-MNOVXSKESA-N 0 0 184.279 2.561 10 30 AFEERN CCCCC#C[C@@H](CO)CCCC 238216072 572341638 /nfs/dbraw/zinc/34/16/38/572341638.db2.gz JZJULKBQWPZRJC-LBPRGKRZSA-N 0 0 182.307 2.979 10 30 AFEERN CCCCC#CCC/C=C/[C@H](C)O 238214906 572341664 /nfs/dbraw/zinc/34/16/64/572341664.db2.gz SMUGNUXMXHDHPA-IIANPFDCSA-N 0 0 180.291 2.897 10 30 AFEERN C=C[C@@H](O)C(=C=CCCC)CC 238212652 572341758 /nfs/dbraw/zinc/34/17/58/572341758.db2.gz CNYZOAQDFAAZAK-HCCKASOXSA-N 0 0 166.264 2.825 10 30 AFEERN C#C/C=C/[C@H](C)[C@H]1CCCCC1=O 307158739 572341776 /nfs/dbraw/zinc/34/17/76/572341776.db2.gz ZYOSXPXNAXXCMG-NAJRYUOPSA-N 0 0 176.259 2.571 10 30 AFEERN CCCC#C[C@H](CO)CCCC 238212648 572341948 /nfs/dbraw/zinc/34/19/48/572341948.db2.gz RDSFNFJLTLUVOJ-LLVKDONJSA-N 0 0 168.280 2.589 10 30 AFEERN CCCC#C[C@@H](CO)CCCC 238212624 572341962 /nfs/dbraw/zinc/34/19/62/572341962.db2.gz RDSFNFJLTLUVOJ-NSHDSACASA-N 0 0 168.280 2.589 10 30 AFEERN C=C[C@@H](O)CCC#CCCCC 238215338 572342034 /nfs/dbraw/zinc/34/20/34/572342034.db2.gz UZIHYPLRVJYTGU-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN C=C[C@H]1CCCC(=O)C1(C)C 222097452 572342114 /nfs/dbraw/zinc/34/21/14/572342114.db2.gz FCJDEMKUKYEQHB-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H](O)CCC#CCCCC 238215290 572342157 /nfs/dbraw/zinc/34/21/57/572342157.db2.gz UZIHYPLRVJYTGU-NSHDSACASA-N 0 0 166.264 2.507 10 30 AFEERN C[Si](C)(C)[C@@H]1OC12CCCC2 196733794 572342302 /nfs/dbraw/zinc/34/23/02/572342302.db2.gz UXUKNYDWKUZSBO-QMMMGPOBSA-N 0 0 170.328 2.575 10 30 AFEERN CC[C@H](C)ON=C(C)C(F)(F)F 307983816 572348297 /nfs/dbraw/zinc/34/82/97/572348297.db2.gz QGGZVUMIKUCBBR-YFKPBYRVSA-N 0 0 183.173 2.740 10 30 AFEERN C=C[C@@H](C)[C@H](O)/C=C/CCCC 307979928 572342400 /nfs/dbraw/zinc/34/24/00/572342400.db2.gz MUEJYBIQFCPPKS-WUNNSPOASA-N 0 0 168.280 2.916 10 30 AFEERN C=C(C)[C@H](CC(C)C)C(C)=O 196602102 572342424 /nfs/dbraw/zinc/34/24/24/572342424.db2.gz NRYLJJPSYJZNRW-JTQLQIEISA-N 0 0 154.253 2.814 10 30 AFEERN C=CC(C=C)[C@@H](O)/C(C)=C\CC 238216460 572342708 /nfs/dbraw/zinc/34/27/08/572342708.db2.gz DVLFEXBMPZELAV-IQQGHNRFSA-N 0 0 166.264 2.692 10 30 AFEERN CCCCC#C[C@@H](CO)c1ccco1 238216090 572342727 /nfs/dbraw/zinc/34/27/27/572342727.db2.gz GCJZUKNPSLSGIZ-NSHDSACASA-N 0 0 192.258 2.549 10 30 AFEERN C=CC(C=C)[C@H](O)/C(C)=C\CC 238215931 572342774 /nfs/dbraw/zinc/34/27/74/572342774.db2.gz DVLFEXBMPZELAV-TYBABMIJSA-N 0 0 166.264 2.692 10 30 AFEERN C#C[C@@H](CC)[C@H](O)CCCCC 238216686 572342782 /nfs/dbraw/zinc/34/27/82/572342782.db2.gz KBDWXASFIDLZLG-WDEREUQCSA-N 0 0 168.280 2.587 10 30 AFEERN CCCC#C[C@H](O)CCCCC 238214114 572342788 /nfs/dbraw/zinc/34/27/88/572342788.db2.gz HZCQAUFMXKDZHX-LLVKDONJSA-N 0 0 168.280 2.731 10 30 AFEERN C=CCC[C@@H](O)/C=C/C(C)C 238220149 572351348 /nfs/dbraw/zinc/35/13/48/572351348.db2.gz SNHVDKCZTSNHQM-QROSGCPLSA-N 0 0 154.253 2.526 10 30 AFEERN CCCCCNN=C(C)C1CC1 307979948 572342814 /nfs/dbraw/zinc/34/28/14/572342814.db2.gz ODASAUHJQYOSQO-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN C=C(C)[C@@H](O)[C@H](C)[C@@H](C)/C=C\C 307980599 572342849 /nfs/dbraw/zinc/34/28/49/572342849.db2.gz NWODVMYHIVZZMU-HYTBFLFESA-N 0 0 168.280 2.772 10 30 AFEERN CC1=CC(=O)CC[C@H]1CCCCC=O 238217023 572342850 /nfs/dbraw/zinc/34/28/50/572342850.db2.gz BEUUVQBOONIOKZ-LLVKDONJSA-N 0 0 194.274 2.671 10 30 AFEERN CC1=CC(=O)CC[C@@H]1CCCCC=O 238216802 572342956 /nfs/dbraw/zinc/34/29/56/572342956.db2.gz BEUUVQBOONIOKZ-NSHDSACASA-N 0 0 194.274 2.671 10 30 AFEERN O=C1C=CCCCc2ccccc21 238640466 572342994 /nfs/dbraw/zinc/34/29/94/572342994.db2.gz RQLZWLNCQFEAQA-UHFFFAOYSA-N 0 0 172.227 2.762 10 30 AFEERN CCCCC#C[C@@H](O)C(CC)CC 238216270 572343088 /nfs/dbraw/zinc/34/30/88/572343088.db2.gz SYHIKHNRWCWXQI-GFCCVEGCSA-N 0 0 182.307 2.977 10 30 AFEERN CC/C=C(\C)[C@H](O)C#CCCCC 238216288 572343210 /nfs/dbraw/zinc/34/32/10/572343210.db2.gz AKRJNHDQPKIQSN-LMMOQWNQSA-N 0 0 180.291 2.897 10 30 AFEERN C=C(C#CCCCC)C/C=C/CO 238214155 572343241 /nfs/dbraw/zinc/34/32/41/572343241.db2.gz KWRZDFHRPCEOPK-BQYQJAHWSA-N 0 0 178.275 2.675 10 30 AFEERN OCCCCCCC/C=C\CS 307980593 572343454 /nfs/dbraw/zinc/34/34/54/572343454.db2.gz NUDFAFMVPKKYLV-VURMDHGXSA-N 0 0 188.336 2.805 10 30 AFEERN C=C[C@H](C#CCCCC)[C@@H](O)CC 238215960 572343549 /nfs/dbraw/zinc/34/35/49/572343549.db2.gz FCFFJYKDJNUOGD-NEPJUHHUSA-N 0 0 180.291 2.753 10 30 AFEERN C=C(C)[C@H](O)[C@H](C)[C@@H](C)/C=C/C 307980600 572343575 /nfs/dbraw/zinc/34/35/75/572343575.db2.gz NWODVMYHIVZZMU-OANNRXPXSA-N 0 0 168.280 2.772 10 30 AFEERN CCC=C(C)C(=O)C(=O)C(C)CCC 238215903 572343661 /nfs/dbraw/zinc/34/36/61/572343661.db2.gz LVIVBRJWWKAIDQ-KNQIFOKMSA-N 0 0 196.290 2.629 10 30 AFEERN CC#C[C@@](O)(CCC)C1CCCC1 307155430 572343711 /nfs/dbraw/zinc/34/37/11/572343711.db2.gz MGGXFTZHXPWLSM-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN CCCCC#C[C@@H](O)/C=C/C(C)C 238216192 572344110 /nfs/dbraw/zinc/34/41/10/572344110.db2.gz TWIVPNCTZSTTGN-BZYZDCJZSA-N 0 0 180.291 2.753 10 30 AFEERN CCCCC#C[C@@](C)(CO)CCC 238217170 572344238 /nfs/dbraw/zinc/34/42/38/572344238.db2.gz MUDCLCMKKQLSIK-LBPRGKRZSA-N 0 0 182.307 2.979 10 30 AFEERN C=C[C@H](C#CCCCC)[C@H](O)CC 238215974 572344301 /nfs/dbraw/zinc/34/43/01/572344301.db2.gz FCFFJYKDJNUOGD-VXGBXAGGSA-N 0 0 180.291 2.753 10 30 AFEERN CC#C[C@@H](C)[C@H](O)CCCCC 238216545 572344319 /nfs/dbraw/zinc/34/43/19/572344319.db2.gz AEZHMURIHKYKGB-GHMZBOCLSA-N 0 0 168.280 2.587 10 30 AFEERN C/C=C/C[C@H](O)C#CCCCC 238216500 572344373 /nfs/dbraw/zinc/34/43/73/572344373.db2.gz YFYUTVDWYQIVFR-MALLOTDXSA-N 0 0 166.264 2.507 10 30 AFEERN C=C[C@@H](C)[C@H](O)/C=C\CCCC 307979926 572344411 /nfs/dbraw/zinc/34/44/11/572344411.db2.gz MUEJYBIQFCPPKS-DLXGREBBSA-N 0 0 168.280 2.916 10 30 AFEERN CCCCC#C[C@H](C=O)CCC 238216022 572344414 /nfs/dbraw/zinc/34/44/14/572344414.db2.gz SYQHNSVOSIYCBD-LLVKDONJSA-N 0 0 166.264 2.795 10 30 AFEERN C=CCC(=O)c1ccc2cnccc2c1 307154446 572344515 /nfs/dbraw/zinc/34/45/15/572344515.db2.gz KUYPMMDNZKCIDR-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN C=C[C@@H]1CC[C@@H]2CC(=O)CC[C@H]12 307188906 572345389 /nfs/dbraw/zinc/34/53/89/572345389.db2.gz XQRRKJKXSCXZJJ-FXPVBKGRSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@H](C#CCCCC)[C@@H](O)C(C)C 238215948 572344585 /nfs/dbraw/zinc/34/45/85/572344585.db2.gz DCJXALLTBFCWGR-OLZOCXBDSA-N 0 0 194.318 2.999 10 30 AFEERN CC/C=C(\C)[C@@H](O)C#CCCCC 238217888 572344589 /nfs/dbraw/zinc/34/45/89/572344589.db2.gz AKRJNHDQPKIQSN-ZKQHCESOSA-N 0 0 180.291 2.897 10 30 AFEERN ON=C(CC1CC1)c1ccccc1 307980480 572344593 /nfs/dbraw/zinc/34/45/93/572344593.db2.gz AWEHICKDJYFMOK-UHFFFAOYSA-N 0 0 175.231 2.665 10 30 AFEERN C#C[C@H](CC)[C@H](O)CCCCC 238215811 572344610 /nfs/dbraw/zinc/34/46/10/572344610.db2.gz KBDWXASFIDLZLG-GHMZBOCLSA-N 0 0 168.280 2.587 10 30 AFEERN C=C(C)Cn1cc(C)c(C)c1C 68944309 572344619 /nfs/dbraw/zinc/34/46/19/572344619.db2.gz QWAQEHKLQUDDKJ-UHFFFAOYSA-N 0 0 163.264 2.989 10 30 AFEERN CC/C=C(\C#CC[C@@H](O)CC)CC 238216862 572344670 /nfs/dbraw/zinc/34/46/70/572344670.db2.gz FTWDLPLGJHAHFP-KGTBHZDVSA-N 0 0 180.291 2.897 10 30 AFEERN C=C(C)[C@@H]1CC=C([C@@H]2CO2)CC1 196614756 572345405 /nfs/dbraw/zinc/34/54/05/572345405.db2.gz NCJYNZHNCLSLRD-KOLCDFICSA-N 0 0 164.248 2.688 10 30 AFEERN CCc1ccc(C#N)c(F)c1C 205983304 572345099 /nfs/dbraw/zinc/34/50/99/572345099.db2.gz VHDQWMGDXWJUIK-UHFFFAOYSA-N 0 0 163.195 2.568 10 30 AFEERN C=C(C)[C@H]1CC=C([C@@H]2CO2)CC1 196614744 572345112 /nfs/dbraw/zinc/34/51/12/572345112.db2.gz NCJYNZHNCLSLRD-ONGXEEELSA-N 0 0 164.248 2.688 10 30 AFEERN C=C(C)[C@@H]1CC=C([C@H]2CO2)CC1 196614776 572345130 /nfs/dbraw/zinc/34/51/30/572345130.db2.gz NCJYNZHNCLSLRD-MWLCHTKSSA-N 0 0 164.248 2.688 10 30 AFEERN CCC[NH2+]C[C@@H](S)c1ccccc1 238216366 572345223 /nfs/dbraw/zinc/34/52/23/572345223.db2.gz DAYAPGDOSWRCIB-LLVKDONJSA-N 0 0 195.331 2.657 10 30 AFEERN CCCCCC[C@H](C)C(=O)C#N 238216747 572345261 /nfs/dbraw/zinc/34/52/61/572345261.db2.gz RSDQBOHLEDLKFY-VIFPVBQESA-N 0 0 167.252 2.686 10 30 AFEERN C=CC/C(=C/CC)C[C@H](C)O 238217141 572345280 /nfs/dbraw/zinc/34/52/80/572345280.db2.gz DGRMOTGYSBOCMB-CBFJXKFUSA-N 0 0 154.253 2.670 10 30 AFEERN C=CC/C(=C/CC)C[C@@H](C)O 238217130 572345289 /nfs/dbraw/zinc/34/52/89/572345289.db2.gz DGRMOTGYSBOCMB-SBMLRHLQSA-N 0 0 154.253 2.670 10 30 AFEERN CCCCCC[C@@H]1C[C@H]1C#CCO 238214018 572345360 /nfs/dbraw/zinc/34/53/60/572345360.db2.gz ZWHNOUVEPGCPNU-VXGBXAGGSA-N 0 0 180.291 2.589 10 30 AFEERN C=C[C@@H]1C[C@@]2(C)CC(=O)C[C@]12C 307141820 572345428 /nfs/dbraw/zinc/34/54/28/572345428.db2.gz JAYJQQCZMDUHBA-DVVUODLYSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)CC[C@H](O)C#CCCCC 238216382 572345527 /nfs/dbraw/zinc/34/55/27/572345527.db2.gz KEZVQKCKWAAFRD-GFCCVEGCSA-N 0 0 180.291 2.897 10 30 AFEERN C#C/C=C/[C@H](C)[C@@H]1CCCCC1=O 307158741 572345637 /nfs/dbraw/zinc/34/56/37/572345637.db2.gz ZYOSXPXNAXXCMG-UHDIHKPFSA-N 0 0 176.259 2.571 10 30 AFEERN C=C[C@H](C#CCCCC)[C@H](O)C(C)C 238215967 572345734 /nfs/dbraw/zinc/34/57/34/572345734.db2.gz DCJXALLTBFCWGR-CHWSQXEVSA-N 0 0 194.318 2.999 10 30 AFEERN C=C[C@@H](C)[C@H](O)/C=C/CCC 238215866 572345821 /nfs/dbraw/zinc/34/58/21/572345821.db2.gz XRKYXUAJVIKWKG-WENXHQBNSA-N 0 0 154.253 2.526 10 30 AFEERN CCCCC#C[C@H](CO)CCC 238217682 572346204 /nfs/dbraw/zinc/34/62/04/572346204.db2.gz QRNJVNMZFJMPLW-LLVKDONJSA-N 0 0 168.280 2.589 10 30 AFEERN C=C(C)[C@]1(CO)C[C@H]1c1ccccc1 307175382 572346254 /nfs/dbraw/zinc/34/62/54/572346254.db2.gz FYHFTZJVEMCQSF-QWHCGFSZSA-N 0 0 188.270 2.729 10 30 AFEERN CC[C@@H](C)ON=C(C)C(F)(F)F 307983815 572346284 /nfs/dbraw/zinc/34/62/84/572346284.db2.gz QGGZVUMIKUCBBR-RXMQYKEDSA-N 0 0 183.173 2.740 10 30 AFEERN C/C=C/C[C@@H](O)C#CCCCC 238218066 572346705 /nfs/dbraw/zinc/34/67/05/572346705.db2.gz YFYUTVDWYQIVFR-DUMNWFOQSA-N 0 0 166.264 2.507 10 30 AFEERN CCCCC=NNCCCCC 307989768 572346392 /nfs/dbraw/zinc/34/63/92/572346392.db2.gz SMZAJHFAZZHXRX-UHFFFAOYSA-N 0 0 170.300 2.942 10 30 AFEERN CCCCC#C[C@](C)(CO)CCC 238218742 572346406 /nfs/dbraw/zinc/34/64/06/572346406.db2.gz MUDCLCMKKQLSIK-GFCCVEGCSA-N 0 0 182.307 2.979 10 30 AFEERN C=C(C)/C(=C\CC)[C@H](O)C(C)C 238217665 572346603 /nfs/dbraw/zinc/34/66/03/572346603.db2.gz DYLXTNRFTRLRDT-PFEDMVJOSA-N 0 0 168.280 2.916 10 30 AFEERN CCCCC#C[C@H](CO)CCCC 238217692 572346681 /nfs/dbraw/zinc/34/66/81/572346681.db2.gz JZJULKBQWPZRJC-GFCCVEGCSA-N 0 0 182.307 2.979 10 30 AFEERN C=C[C@@H](C#CCCCC)[C@H](O)CC 238217604 572346742 /nfs/dbraw/zinc/34/67/42/572346742.db2.gz FCFFJYKDJNUOGD-NWDGAFQWSA-N 0 0 180.291 2.753 10 30 AFEERN C#CCN(C)c1cc(Cl)ccc1C 307158821 572347089 /nfs/dbraw/zinc/34/70/89/572347089.db2.gz BTLKETYSXBHIBI-UHFFFAOYSA-N 0 0 193.677 2.718 10 30 AFEERN C=C[C@H](C)[C@@H](O)C(=C)CCCC 307984119 572346971 /nfs/dbraw/zinc/34/69/71/572346971.db2.gz RGQMLFAQPBBGLP-GXSJLCMTSA-N 0 0 168.280 2.916 10 30 AFEERN C=C(C)[C@H]1CC=C([C@H]2CO2)CC1 196614767 572347014 /nfs/dbraw/zinc/34/70/14/572347014.db2.gz NCJYNZHNCLSLRD-GXSJLCMTSA-N 0 0 164.248 2.688 10 30 AFEERN CCCC#C[C@@H](O)/C=C/CCC 238217443 572347027 /nfs/dbraw/zinc/34/70/27/572347027.db2.gz MKVAGWFXKZZKJS-DJYGCBNOSA-N 0 0 166.264 2.507 10 30 AFEERN C=C[C@@H](C#CCCCC)[C@H](O)C(C)C 238217594 572347414 /nfs/dbraw/zinc/34/74/14/572347414.db2.gz DCJXALLTBFCWGR-QWHCGFSZSA-N 0 0 194.318 2.999 10 30 AFEERN C=C[C@@H](C)[C@@H](O)C#CC1CCCCC1 307184126 572347138 /nfs/dbraw/zinc/34/71/38/572347138.db2.gz APMPOHFIEKJRNH-YPMHNXCESA-N 0 0 192.302 2.753 10 30 AFEERN CC1=CC(=O)C[C@]1(C)CCCCC=O 238218032 572347149 /nfs/dbraw/zinc/34/71/49/572347149.db2.gz CJGKDXLEHUJLHL-LBPRGKRZSA-N 0 0 194.274 2.671 10 30 AFEERN C#C/C=C/C=C/[C@H](O)CCCCC 238217458 572347496 /nfs/dbraw/zinc/34/74/96/572347496.db2.gz HHNMOTPBDWDXKW-REAUAHAJSA-N 0 0 178.275 2.673 10 30 AFEERN C=C(C(F)(F)F)C1(O)CCCCC1 307106513 572347247 /nfs/dbraw/zinc/34/72/47/572347247.db2.gz JZBCZEPOTBUXQX-UHFFFAOYSA-N 0 0 194.196 2.800 10 30 AFEERN CCCCC#C[C@H](O)C(CC)CC 238217872 572347279 /nfs/dbraw/zinc/34/72/79/572347279.db2.gz SYHIKHNRWCWXQI-LBPRGKRZSA-N 0 0 182.307 2.977 10 30 AFEERN C=C[C@@H](C#CCCCC)[C@@H](O)C(C)C 238217574 572347437 /nfs/dbraw/zinc/34/74/37/572347437.db2.gz DCJXALLTBFCWGR-STQMWFEESA-N 0 0 194.318 2.999 10 30 AFEERN C=C[C@@H]([C@H](C)[C@@H](C)O)[Si](C)(C)C 307990620 572347450 /nfs/dbraw/zinc/34/74/50/572347450.db2.gz WMULZANMHCAYRB-BBBLOLIVSA-N 0 0 186.371 2.898 10 30 AFEERN CCCCC[C@H](C=O)SCC 238218302 572347470 /nfs/dbraw/zinc/34/74/70/572347470.db2.gz CPCVQTJTGSESJZ-SECBINFHSA-N 0 0 174.309 2.887 10 30 AFEERN CCCC(CC)=NNC(C)(C)C 307989833 572347481 /nfs/dbraw/zinc/34/74/81/572347481.db2.gz SQABXWTXBVRSFC-UHFFFAOYSA-N 0 0 170.300 2.941 10 30 AFEERN C=C(C)[C@H](O)[C@H](C)/C=C/C(C)C 238219025 572347605 /nfs/dbraw/zinc/34/76/05/572347605.db2.gz FTQZTBFISQNFTC-JNQBIPAQSA-N 0 0 168.280 2.772 10 30 AFEERN C=C[C@@H](C)[C@@H](O)C(=C)CCCC 307984122 572347730 /nfs/dbraw/zinc/34/77/30/572347730.db2.gz RGQMLFAQPBBGLP-MWLCHTKSSA-N 0 0 168.280 2.916 10 30 AFEERN CCCCC#C[C@H](O)/C=C/C(C)C 238217799 572348022 /nfs/dbraw/zinc/34/80/22/572348022.db2.gz TWIVPNCTZSTTGN-VMPCVLLUSA-N 0 0 180.291 2.753 10 30 AFEERN C=C[C@H](C)[C@@H](O)[C@H](C)C(C)(C)C 307990651 572348126 /nfs/dbraw/zinc/34/81/26/572348126.db2.gz WPSIVIOJKMWNQX-LPEHRKFASA-N 0 0 170.296 2.852 10 30 AFEERN C=C(C)n1ccc2cccnc21 307190693 572348133 /nfs/dbraw/zinc/34/81/33/572348133.db2.gz YNOWNRRROZFBCJ-UHFFFAOYSA-N 0 0 158.204 2.527 10 30 AFEERN C=C[C@@H](C#CCCCC)[C@@H](O)CC 238217585 572348336 /nfs/dbraw/zinc/34/83/36/572348336.db2.gz FCFFJYKDJNUOGD-RYUDHWBXSA-N 0 0 180.291 2.753 10 30 AFEERN C=C[C@@H](C)[C@H](O)[C@@H](C)C(C)(C)C 307990650 572348386 /nfs/dbraw/zinc/34/83/86/572348386.db2.gz WPSIVIOJKMWNQX-BBBLOLIVSA-N 0 0 170.296 2.852 10 30 AFEERN CCC#CCC/C=C\CCCO 307984532 572348399 /nfs/dbraw/zinc/34/83/99/572348399.db2.gz RLPDXCDRRDDKQC-FPLPWBNLSA-N 0 0 166.264 2.509 10 30 AFEERN CCCCC#CC[C@@H]1C=CC[C@H]1O 307139564 572348556 /nfs/dbraw/zinc/34/85/56/572348556.db2.gz APXYQSMXSGCDST-VXGBXAGGSA-N 0 0 178.275 2.507 10 30 AFEERN C=C(CC)[C@H]1CC1(C)C 307133872 572348561 /nfs/dbraw/zinc/34/85/61/572348561.db2.gz YXRUFZZQAKLZSV-MRVPVSSYSA-N 0 0 124.227 2.999 10 30 AFEERN C=CCC[C@H](O)/C=C/C(C)C 238219366 572350355 /nfs/dbraw/zinc/35/03/55/572350355.db2.gz SNHVDKCZTSNHQM-JARNTUPDSA-N 0 0 154.253 2.526 10 30 AFEERN C=CCC[C@@H](O)/C=C/CCC 238217605 572348672 /nfs/dbraw/zinc/34/86/72/572348672.db2.gz XYIQUMIAHAOPRH-TTZKWOQHSA-N 0 0 154.253 2.670 10 30 AFEERN CCCCC[C@@H](O)/C=C1/CCCC1=O 238217407 572348883 /nfs/dbraw/zinc/34/88/83/572348883.db2.gz XSDNVXMBHVTRCB-DWOQACPDSA-N 0 0 196.290 2.607 10 30 AFEERN CCCCC#C[C@@H](C=O)CCC 238217646 572348899 /nfs/dbraw/zinc/34/88/99/572348899.db2.gz SYQHNSVOSIYCBD-NSHDSACASA-N 0 0 166.264 2.795 10 30 AFEERN CCN(CCS)c1ccccc1C 87056141 572348906 /nfs/dbraw/zinc/34/89/06/572348906.db2.gz NBLBDNRQKKWHJJ-UHFFFAOYSA-N 0 0 195.331 2.751 10 30 AFEERN C=C[C@@H](C)[C@@H](O)/C=C/CCC 238217781 572349095 /nfs/dbraw/zinc/34/90/95/572349095.db2.gz XRKYXUAJVIKWKG-PSFRMBJNSA-N 0 0 154.253 2.526 10 30 AFEERN C=C(C)CC[C@@H](O)C#CCCCC 238217955 572349101 /nfs/dbraw/zinc/34/91/01/572349101.db2.gz KEZVQKCKWAAFRD-LBPRGKRZSA-N 0 0 180.291 2.897 10 30 AFEERN O=C[C@@H]1CCCC2=C1Cc1ccccc12 238641464 572349162 /nfs/dbraw/zinc/34/91/62/572349162.db2.gz QQNMOFDVDBPBHE-NSHDSACASA-N 0 0 198.265 2.995 10 30 AFEERN CCC[C@H](C#N)C[C@H](O)C(C)(C)C 238218751 572349354 /nfs/dbraw/zinc/34/93/54/572349354.db2.gz HUYRZAGCDGDTNL-UWVGGRQHSA-N 0 0 183.295 2.723 10 30 AFEERN CCCCC#C[C@H](CO)c1ccco1 238217710 572349448 /nfs/dbraw/zinc/34/94/48/572349448.db2.gz GCJZUKNPSLSGIZ-LLVKDONJSA-N 0 0 192.258 2.549 10 30 AFEERN CC1=CC(=O)C[C@@]1(C)CCCCC=O 238217610 572349465 /nfs/dbraw/zinc/34/94/65/572349465.db2.gz CJGKDXLEHUJLHL-GFCCVEGCSA-N 0 0 194.274 2.671 10 30 AFEERN C/C(=C/C(C)C)C(=O)C[C@@H](O)C(C)C 238217365 572349473 /nfs/dbraw/zinc/34/94/73/572349473.db2.gz KAPHKKQNTXIYIJ-SDKXAQGSSA-N 0 0 198.306 2.565 10 30 AFEERN C=CCC[C@H](O)c1cncc(Cl)c1 307987419 572349486 /nfs/dbraw/zinc/34/94/86/572349486.db2.gz RRRDTZJKUVWTMK-JTQLQIEISA-N 0 0 197.665 2.735 10 30 AFEERN CCCCCCC=NN(C)CC 307988012 572349621 /nfs/dbraw/zinc/34/96/21/572349621.db2.gz RYCCQGUCBXXGQY-UHFFFAOYSA-N 0 0 170.300 2.894 10 30 AFEERN C=CCC[C@@H](O)c1cncc(Cl)c1 307987420 572349681 /nfs/dbraw/zinc/34/96/81/572349681.db2.gz RRRDTZJKUVWTMK-SNVBAGLBSA-N 0 0 197.665 2.735 10 30 AFEERN C=C(Cl)CN(C)c1ccccc1O 307103749 572349753 /nfs/dbraw/zinc/34/97/53/572349753.db2.gz BSUWWZPQJXOMMN-UHFFFAOYSA-N 0 0 197.665 2.581 10 30 AFEERN CN(CCCCS)c1ccccc1 87054618 572349846 /nfs/dbraw/zinc/34/98/46/572349846.db2.gz OHVWAXDUVVUOBU-UHFFFAOYSA-N 0 0 195.331 2.833 10 30 AFEERN C=C[C@H](C)CC[C@@H](O)C(C)(C)C 307985647 572350042 /nfs/dbraw/zinc/35/00/42/572350042.db2.gz SDCXQMJMWXKWPQ-VHSXEESVSA-N 0 0 170.296 2.996 10 30 AFEERN CCCCCNN=C1CCCC1 307986787 572350146 /nfs/dbraw/zinc/35/01/46/572350146.db2.gz RITDHYSPGBANDP-UHFFFAOYSA-N 0 0 168.284 2.696 10 30 AFEERN CCCCC#C/C=C/C#CCCCO 238219145 572350139 /nfs/dbraw/zinc/35/01/39/572350139.db2.gz VMMPJMDZUPTDBW-BQYQJAHWSA-N 0 0 190.286 2.512 10 30 AFEERN C/C=C(\C)C[C@@H](O)CC#CCCC 238219438 572350172 /nfs/dbraw/zinc/35/01/72/572350172.db2.gz KAICLRQXQAOHSX-JVOXIWMLSA-N 0 0 180.291 2.897 10 30 AFEERN CC/C=C/CC#CCCCCO 238219407 572350198 /nfs/dbraw/zinc/35/01/98/572350198.db2.gz AOGKTMYMZGQFEG-ONEGZZNKSA-N 0 0 166.264 2.509 10 30 AFEERN C/C=C/C[C@H](O)CC#CCCC 238219315 572350218 /nfs/dbraw/zinc/35/02/18/572350218.db2.gz FTPZRVBHTVTPLJ-MALLOTDXSA-N 0 0 166.264 2.507 10 30 AFEERN C/N=C\c1cc(Cl)c2[nH]ccc2c1 307988342 572350220 /nfs/dbraw/zinc/35/02/20/572350220.db2.gz LCRUMSQYRPJMML-SDQBBNPISA-N 0 0 192.649 2.870 10 30 AFEERN C/C=C(\C)C[C@H](O)CC#CCCC 238219212 572350235 /nfs/dbraw/zinc/35/02/35/572350235.db2.gz KAICLRQXQAOHSX-JXDHDYMSSA-N 0 0 180.291 2.897 10 30 AFEERN CC/C=C/CC#CC[C@H](O)CC 238219448 572350249 /nfs/dbraw/zinc/35/02/49/572350249.db2.gz JGGRCJODFZILER-MVIFTORASA-N 0 0 166.264 2.507 10 30 AFEERN C=C(C)C[C@@H](O)CC#CCCC 238219423 572350273 /nfs/dbraw/zinc/35/02/73/572350273.db2.gz CLKFHOQICWQFHR-NSHDSACASA-N 0 0 166.264 2.507 10 30 AFEERN CC/C=C/CC#CC[C@@H](O)CC 238219429 572350285 /nfs/dbraw/zinc/35/02/85/572350285.db2.gz JGGRCJODFZILER-QRGHLMKCSA-N 0 0 166.264 2.507 10 30 AFEERN CC/C=C/[C@H](O)CC#CCCC 238219336 572350335 /nfs/dbraw/zinc/35/03/35/572350335.db2.gz VFHRDZYRYMIFBD-LAHYYIKRSA-N 0 0 166.264 2.507 10 30 AFEERN C=C(C)C[C@H](O)CC#CCCC 238219190 572350381 /nfs/dbraw/zinc/35/03/81/572350381.db2.gz CLKFHOQICWQFHR-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN CCCCC#C/C=C/C[C@@H](O)CC 238219209 572350389 /nfs/dbraw/zinc/35/03/89/572350389.db2.gz HZFXWFMLDUENJU-VMPCVLLUSA-N 0 0 180.291 2.897 10 30 AFEERN CC/C=C/C=C/C#C/C=C/[C@H](O)CC 238219075 572350407 /nfs/dbraw/zinc/35/04/07/572350407.db2.gz SLEGTYGXNHEDDS-UOKGTYHTSA-N 0 0 190.286 2.839 10 30 AFEERN CCCCC#C/C=C/C[C@H](O)CC 238219238 572350496 /nfs/dbraw/zinc/35/04/96/572350496.db2.gz HZFXWFMLDUENJU-BZYZDCJZSA-N 0 0 180.291 2.897 10 30 AFEERN CC(=O)[C@@](C)(C=O)[C@H](C)/C=C/C(C)C 238219070 572350513 /nfs/dbraw/zinc/35/05/13/572350513.db2.gz JXVGQQABYYNBPS-ZUOHBJSBSA-N 0 0 196.290 2.629 10 30 AFEERN CCCCCCCC[C@@H]1CNC(=O)O1 238219469 572350533 /nfs/dbraw/zinc/35/05/33/572350533.db2.gz CCRMTVGSYLDIPM-SNVBAGLBSA-N 0 0 199.294 2.845 10 30 AFEERN CCC/C=N/[C@H](CO)c1ccccc1 238219294 572350543 /nfs/dbraw/zinc/35/05/43/572350543.db2.gz DRQRCIZPBAQHSQ-AUWXEVLLSA-N 0 0 191.274 2.591 10 30 AFEERN CCC/C=N/[C@@H](CO)c1ccccc1 238219054 572350595 /nfs/dbraw/zinc/35/05/95/572350595.db2.gz DRQRCIZPBAQHSQ-OQZOHAQUSA-N 0 0 191.274 2.591 10 30 AFEERN C/C=C/C[C@@H](O)CC#CCCC 238219500 572350605 /nfs/dbraw/zinc/35/06/05/572350605.db2.gz FTPZRVBHTVTPLJ-DUMNWFOQSA-N 0 0 166.264 2.507 10 30 AFEERN CC(=O)[C@](C)(C=O)[C@H](C)/C=C/C(C)C 238219043 572350617 /nfs/dbraw/zinc/35/06/17/572350617.db2.gz JXVGQQABYYNBPS-PWBFPFQSSA-N 0 0 196.290 2.629 10 30 AFEERN C=C1C[C@@H]2[C@@H](O)CCCC[C@@H]2C1 307120416 572350678 /nfs/dbraw/zinc/35/06/78/572350678.db2.gz SVWZXLJAOSZMLZ-VWYCJHECSA-N 0 0 166.264 2.504 10 30 AFEERN C=C[C@@H](C)[C@@H](C)[C@H](CO)C(C)C 307986534 572350791 /nfs/dbraw/zinc/35/07/91/572350791.db2.gz SUTWBNRBYPFZLS-GMTAPVOTSA-N 0 0 170.296 2.709 10 30 AFEERN C[C@@H](CS)CN(C)c1ccccc1 87054645 572350843 /nfs/dbraw/zinc/35/08/43/572350843.db2.gz VQDKSTFLMZEALI-SNVBAGLBSA-N 0 0 195.331 2.689 10 30 AFEERN C=C(C)[C@@]1(CO)C[C@@H]1c1ccccc1 307175380 572351104 /nfs/dbraw/zinc/35/11/04/572351104.db2.gz FYHFTZJVEMCQSF-OLZOCXBDSA-N 0 0 188.270 2.729 10 30 AFEERN CN(C/C=C/CS)c1ccccc1 87054657 572351199 /nfs/dbraw/zinc/35/11/99/572351199.db2.gz DPSKDDMKWJMHKP-AATRIKPKSA-N 0 0 193.315 2.609 10 30 AFEERN C#CCNc1ccccc1CC(C)C 307101781 572351375 /nfs/dbraw/zinc/35/13/75/572351375.db2.gz VNACOHXMLAVXNL-UHFFFAOYSA-N 0 0 187.286 2.930 10 30 AFEERN C[C@H](CS)CN(C)c1ccccc1 87054642 572351399 /nfs/dbraw/zinc/35/13/99/572351399.db2.gz VQDKSTFLMZEALI-JTQLQIEISA-N 0 0 195.331 2.689 10 30 AFEERN C=C[C@@H]1CC[C@H]2CC(=O)CC[C@H]12 307188907 572351563 /nfs/dbraw/zinc/35/15/63/572351563.db2.gz XQRRKJKXSCXZJJ-WCABBAIRSA-N 0 0 164.248 2.568 10 30 AFEERN C#C[C@](C)(CC)Nc1ccc(C)cn1 307134755 572352745 /nfs/dbraw/zinc/35/27/45/572352745.db2.gz AFVBKJVRPAKORI-GFCCVEGCSA-N 0 0 188.274 2.604 10 30 AFEERN C=C(CCCO)c1ccc(F)c(F)c1 238647498 572352947 /nfs/dbraw/zinc/35/29/47/572352947.db2.gz HBYMUIMXSYBMQD-UHFFFAOYSA-N 0 0 198.212 2.751 10 30 AFEERN C=CCC1=CC(=C)C=C(CC=C)C1O 238642741 572353058 /nfs/dbraw/zinc/35/30/58/572353058.db2.gz HCKGZBCBLQNPTL-UHFFFAOYSA-N 0 0 188.270 2.922 10 30 AFEERN C=C1C[C@H]2C=C[C@]1(C[C@H](O)C(C)C)C2 307119806 572353268 /nfs/dbraw/zinc/35/32/68/572353268.db2.gz HGVPKOQOYDSUFU-FRRDWIJNSA-N 0 0 192.302 2.916 10 30 AFEERN C=C(CCCO)CCc1ccccc1 238647206 572353341 /nfs/dbraw/zinc/35/33/41/572353341.db2.gz ASVMRFJEHPKXEY-UHFFFAOYSA-N 0 0 190.286 2.948 10 30 AFEERN O=C[C@@H]1C[C@H]1CCCc1ccccc1 238645825 572353394 /nfs/dbraw/zinc/35/33/94/572353394.db2.gz SLDCQZALABOHFK-OLZOCXBDSA-N 0 0 188.270 2.844 10 30 AFEERN C=CC[C@H](O)[C@H]1[C@@H]2[C@H](C)CC[C@]12C 307179173 572353546 /nfs/dbraw/zinc/35/35/46/572353546.db2.gz JYUNXUFKBWJHGJ-DGORSVRFSA-N 0 0 180.291 2.606 10 30 AFEERN CON=C(C)CCC1CCCC1 307988919 572353621 /nfs/dbraw/zinc/35/36/21/572353621.db2.gz SGGZXFUTASBPQQ-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN C=C(CCCO)c1cc(F)cc(F)c1 238647462 572353811 /nfs/dbraw/zinc/35/38/11/572353811.db2.gz KWAZNORNBMRHCT-UHFFFAOYSA-N 0 0 198.212 2.751 10 30 AFEERN C=C1C[C@@H]2CCC(=O)[C@H](C)[C@]2(C)C1 307151998 572354104 /nfs/dbraw/zinc/35/41/04/572354104.db2.gz WVMOECGLSCNRAX-NHCYSSNCSA-N 0 0 178.275 2.958 10 30 AFEERN C=C1CCC[C@H](O)[C@@H]2[C@@H](C)CC[C@H]12 307185905 572354184 /nfs/dbraw/zinc/35/41/84/572354184.db2.gz SVVGHZCFSIAGEA-WHOHXGKFSA-N 0 0 180.291 2.750 10 30 AFEERN O=C[C@@H]1C[C@@H]1CCCc1ccccc1 238644565 572354339 /nfs/dbraw/zinc/35/43/39/572354339.db2.gz SLDCQZALABOHFK-STQMWFEESA-N 0 0 188.270 2.844 10 30 AFEERN CC#CCC(=O)[C@H]1CC2CCC1CC2 307152427 572354862 /nfs/dbraw/zinc/35/48/62/572354862.db2.gz YEHNYGKINYQREC-MCIGGMRASA-N 0 0 190.286 2.795 10 30 AFEERN CCO[C@H](C#N)[C@H](C)C(C)(C)C 307997211 572360842 /nfs/dbraw/zinc/36/08/42/572360842.db2.gz CROVFBWLWNOPKY-DTWKUNHWSA-N 0 0 169.268 2.597 10 30 AFEERN C#CC[C@H](O)/C=C(\C)CCCC 238220309 572354941 /nfs/dbraw/zinc/35/49/41/572354941.db2.gz AIVGSMNXAVMULP-USKTWTLRSA-N 0 0 166.264 2.507 10 30 AFEERN C#C/C(C)=C(\C)C[C@H]1CCCC1=O 307151777 572354988 /nfs/dbraw/zinc/35/49/88/572354988.db2.gz WKENFEYCAYTTMC-PBQZMEPESA-N 0 0 176.259 2.715 10 30 AFEERN CCCC/C=C/[C@H](C=O)[C@@H](C)OCC 210357995 572355231 /nfs/dbraw/zinc/35/52/31/572355231.db2.gz GORHZDGAMHFQIF-SVKHLYGUSA-N 0 0 198.306 2.973 10 30 AFEERN C=CCC(=O)Nc1ccc(Cl)cc1 140921299 572355922 /nfs/dbraw/zinc/35/59/22/572355922.db2.gz BSFKLFBYAIDIFZ-UHFFFAOYSA-N 0 0 195.649 2.855 10 30 AFEERN C=C(C)[C@@]1(CO)C[C@H]1c1ccccc1 307175383 572355770 /nfs/dbraw/zinc/35/57/70/572355770.db2.gz FYHFTZJVEMCQSF-STQMWFEESA-N 0 0 188.270 2.729 10 30 AFEERN CCN(CCS)c1cccc(C)c1 87059417 572355788 /nfs/dbraw/zinc/35/57/88/572355788.db2.gz RKONSTKIJQGMRL-UHFFFAOYSA-N 0 0 195.331 2.751 10 30 AFEERN C#CCCSCCCC=C 307120310 572355869 /nfs/dbraw/zinc/35/58/69/572355869.db2.gz SUVRRDAYWUMMHK-UHFFFAOYSA-N 0 0 154.278 2.709 10 30 AFEERN C=CC1=C(C)[C@@H](O)C[C@@H](C(=C)C)C1 307119606 572355874 /nfs/dbraw/zinc/35/58/74/572355874.db2.gz SCOBLLVXAFRHMX-RYUDHWBXSA-N 0 0 178.275 2.836 10 30 AFEERN CC/C=C/CCC#CCCCCO 238219602 572356257 /nfs/dbraw/zinc/35/62/57/572356257.db2.gz CLFRUFSTTQTJCH-ONEGZZNKSA-N 0 0 180.291 2.899 10 30 AFEERN C=C[C@H](C)[C@H](O)CC/C=C/CC 238220308 572356603 /nfs/dbraw/zinc/35/66/03/572356603.db2.gz AITGKNFCGFLYES-FQLSZKSXSA-N 0 0 168.280 2.916 10 30 AFEERN C=CCCC[C@H](O)C#CC1=CCCC1 238666124 572356936 /nfs/dbraw/zinc/35/69/36/572356936.db2.gz ALDMYWKKBHAJAI-ZDUSSCGKSA-N 0 0 190.286 2.817 10 30 AFEERN C=CCCC[C@H](O)CCCC(=O)C=C 238666281 572356943 /nfs/dbraw/zinc/35/69/43/572356943.db2.gz UDUPQVXOHMGORM-LBPRGKRZSA-N 0 0 196.290 2.629 10 30 AFEERN C#CCCC[C@H]1CC[C@@H](O)C=C1C=C 238664605 572356974 /nfs/dbraw/zinc/35/69/74/572356974.db2.gz VBEWGNUWGWXOFF-QWHCGFSZSA-N 0 0 190.286 2.673 10 30 AFEERN CCCC/C(=C/C#CCO)CC 238220384 572356990 /nfs/dbraw/zinc/35/69/90/572356990.db2.gz CCMCLAVPJMQPGY-PKNBQFBNSA-N 0 0 166.264 2.509 10 30 AFEERN C=CCCCCC[C@H](O)C#CC1CC1 238667576 572357209 /nfs/dbraw/zinc/35/72/09/572357209.db2.gz ZXRVUTIKQMEABT-ZDUSSCGKSA-N 0 0 192.302 2.897 10 30 AFEERN C=CCc1noc(-c2cccs2)n1 307136368 572357228 /nfs/dbraw/zinc/35/72/28/572357228.db2.gz UJVSAZRMGSUMQK-UHFFFAOYSA-N 0 0 192.243 2.527 10 30 AFEERN C=CCCC[C@H](O)CCC=C 238666240 572357275 /nfs/dbraw/zinc/35/72/75/572357275.db2.gz KVRBFEKCGWXTSA-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN OCCCC[C@H](S)c1ccccc1 238665047 572357370 /nfs/dbraw/zinc/35/73/70/572357370.db2.gz FTQPHYMPZPKUAF-NSHDSACASA-N 0 0 196.315 2.820 10 30 AFEERN C#CCCCCC[C@H](O)CC=C 238667459 572357439 /nfs/dbraw/zinc/35/74/39/572357439.db2.gz GUIIKYNNEGDULG-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN C=CCC[C@H](O)[C@H]1C=CCCC1 238664202 572357638 /nfs/dbraw/zinc/35/76/38/572357638.db2.gz HYZNJACXMYSWJR-QWRGUYRKSA-N 0 0 166.264 2.670 10 30 AFEERN C=C[C@@H](O)CCCCc1ccco1 238668550 572357643 /nfs/dbraw/zinc/35/76/43/572357643.db2.gz XEAWKPJUQLHBSW-SNVBAGLBSA-N 0 0 180.247 2.539 10 30 AFEERN O=C[C@H]1C[C@H]1CCCc1ccccc1 238664192 572357719 /nfs/dbraw/zinc/35/77/19/572357719.db2.gz SLDCQZALABOHFK-CHWSQXEVSA-N 0 0 188.270 2.844 10 30 AFEERN CCCCCCCC[C@H]1C=CC(=O)N1 238219727 572358562 /nfs/dbraw/zinc/35/85/62/572358562.db2.gz LKLUYZHZGFOYQA-NSHDSACASA-N 0 0 195.306 2.792 10 30 AFEERN C=C(CCCC)[C@@H](O)C(C)C 238220948 572358707 /nfs/dbraw/zinc/35/87/07/572358707.db2.gz ZUGQIAYECXPTRN-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN C#Cc1ccccc1[C@@H](O)CCC=C 238664521 572358126 /nfs/dbraw/zinc/35/81/26/572358126.db2.gz RORIFOJIJXHJEJ-ZDUSSCGKSA-N 0 0 186.254 2.668 10 30 AFEERN C=C(CCCC)[C@@H](O)C1=CCCCO1 238220960 572358138 /nfs/dbraw/zinc/35/81/38/572358138.db2.gz ZGMYBFWHXQKFCO-GFCCVEGCSA-N 0 0 196.290 2.788 10 30 AFEERN C=CC[C@H](C=C)CCCCO 238664322 572358149 /nfs/dbraw/zinc/35/81/49/572358149.db2.gz RBHLISQPUSWXOY-JTQLQIEISA-N 0 0 154.253 2.527 10 30 AFEERN C#C/C=C/[C@@H](O)CCCCCC=C 238667520 572358186 /nfs/dbraw/zinc/35/81/86/572358186.db2.gz YKBWIADUXBGHOP-GCZGVDRJSA-N 0 0 178.275 2.673 10 30 AFEERN C=C/C=C\CC[C@]1(C=O)CCCOC1 713694450 572358213 /nfs/dbraw/zinc/35/82/13/572358213.db2.gz KJBNGDZGCWLRNX-VSQXVHSFSA-N 0 0 194.274 2.505 10 30 AFEERN C=C[C@H]1[C@H](C(C)C)CC[C@]1(C)CO 307109600 572358218 /nfs/dbraw/zinc/35/82/18/572358218.db2.gz KJZIIGAMTXMCLA-SDDRHHMPSA-N 0 0 182.307 2.853 10 30 AFEERN CCC[C@@H](CS)Cn1ccnc1C 87091225 572358226 /nfs/dbraw/zinc/35/82/26/572358226.db2.gz NXEXVOSJNKBIPR-SNVBAGLBSA-N 0 0 198.335 2.538 10 30 AFEERN C#Cc1nc(C(C)C)sc1C 307150938 572358238 /nfs/dbraw/zinc/35/82/38/572358238.db2.gz BLGRNWICWAUVCX-UHFFFAOYSA-N 0 0 165.261 2.556 10 30 AFEERN CCC[C@@H](CS)Cn1nccc1C 87094858 572358268 /nfs/dbraw/zinc/35/82/68/572358268.db2.gz UNCVJSYDVXDFKY-SNVBAGLBSA-N 0 0 198.335 2.538 10 30 AFEERN CCC[C@@H](CS)Cn1ccc(C)n1 87094917 572358312 /nfs/dbraw/zinc/35/83/12/572358312.db2.gz JKUXPEUYWZLLLE-SNVBAGLBSA-N 0 0 198.335 2.538 10 30 AFEERN O=C[C@H]1C[C@H]2CC=C[C@@]12c1ccccc1 238669672 572358347 /nfs/dbraw/zinc/35/83/47/572358347.db2.gz BQLGRGPMSHXHKG-MCIONIFRSA-N 0 0 198.265 2.719 10 30 AFEERN Cc1nn(CCCCS)c(C)c1C 87093741 572358393 /nfs/dbraw/zinc/35/83/93/572358393.db2.gz ZJLOSSIZUVPALK-UHFFFAOYSA-N 0 0 198.335 2.518 10 30 AFEERN CCC[C@H](CS)Cn1ccnc1C 87091224 572358591 /nfs/dbraw/zinc/35/85/91/572358591.db2.gz NXEXVOSJNKBIPR-JTQLQIEISA-N 0 0 198.335 2.538 10 30 AFEERN CC(C)c1nccn1C[C@H](C)CS 87092049 572358659 /nfs/dbraw/zinc/35/86/59/572358659.db2.gz OSJTUSRTTHRQGF-VIFPVBQESA-N 0 0 198.335 2.572 10 30 AFEERN Cc1cccc(N(C)CCCS)c1 87072935 572358741 /nfs/dbraw/zinc/35/87/41/572358741.db2.gz HLEQDVCRXWWOTN-UHFFFAOYSA-N 0 0 195.331 2.751 10 30 AFEERN C=CC[C@H](O)C#Cc1ccccc1C=C 238659069 572358810 /nfs/dbraw/zinc/35/88/10/572358810.db2.gz YSVKRUSUEBHBHC-AWEZNQCLSA-N 0 0 198.265 2.618 10 30 AFEERN CCN(CCS)c1cccc(F)c1 87071983 572358840 /nfs/dbraw/zinc/35/88/40/572358840.db2.gz UIFKJZPBQBSXTE-UHFFFAOYSA-N 0 0 199.294 2.582 10 30 AFEERN Cc1nccn1CCCCCCS 87091231 572358910 /nfs/dbraw/zinc/35/89/10/572358910.db2.gz PSLWZULBTPPKSC-UHFFFAOYSA-N 0 0 198.335 2.682 10 30 AFEERN SCCCSCc1ccco1 87097029 572358985 /nfs/dbraw/zinc/35/89/85/572358985.db2.gz DODJDIGOFVRDSN-UHFFFAOYSA-N 0 0 188.317 2.833 10 30 AFEERN Cc1cnn(CC[C@H](C)CCS)c1 87092629 572359007 /nfs/dbraw/zinc/35/90/07/572359007.db2.gz OHIFIARRWMQKDN-VIFPVBQESA-N 0 0 198.335 2.538 10 30 AFEERN CC#CCC[C@@H](O)c1sccc1F 307120773 572359009 /nfs/dbraw/zinc/35/90/09/572359009.db2.gz IDXSZKWYJCHBPU-SECBINFHSA-N 0 0 198.262 2.724 10 30 AFEERN C=C[C@@H](O)CC1(C=C)CCCC1 238658126 572359058 /nfs/dbraw/zinc/35/90/58/572359058.db2.gz KXCDFFYQEIMBMQ-SNVBAGLBSA-N 0 0 166.264 2.670 10 30 AFEERN Cc1cnn(CC[C@@H](C)CCS)c1 87092627 572359114 /nfs/dbraw/zinc/35/91/14/572359114.db2.gz OHIFIARRWMQKDN-SECBINFHSA-N 0 0 198.335 2.538 10 30 AFEERN Cc1ccn(CC[C@@H](C)CCS)n1 87094905 572359153 /nfs/dbraw/zinc/35/91/53/572359153.db2.gz IFYGELLCJLKXSS-SECBINFHSA-N 0 0 198.335 2.538 10 30 AFEERN O=C(C#Cc1ccccc1)CC1CCC1 307189324 572359192 /nfs/dbraw/zinc/35/91/92/572359192.db2.gz UHGSCQLAKDQFGT-UHFFFAOYSA-N 0 0 198.265 2.797 10 30 AFEERN C#C[C@@H](CC)Nc1cccc(C)c1F 300972612 572359260 /nfs/dbraw/zinc/35/92/60/572359260.db2.gz PXIPQQVHVHBCFJ-JTQLQIEISA-N 0 0 191.249 2.958 10 30 AFEERN CC(C)=CCC[C@H](C)C[C@@H]1O[C@H]1CO 196889674 572359327 /nfs/dbraw/zinc/35/93/27/572359327.db2.gz VZNJXSSQLOFXGA-SRVKXCTJSA-N 0 0 198.306 2.519 10 30 AFEERN C=C=CCCC#C[C@@H](O)c1ccccc1 238672593 572359370 /nfs/dbraw/zinc/35/93/70/572359370.db2.gz BQLSFPLBAKADPK-CQSZACIVSA-N 0 0 198.265 2.845 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@@H](CO)[C@@H]12 307145288 572359388 /nfs/dbraw/zinc/35/93/88/572359388.db2.gz MJWZXKCKCBBDRT-QJPTWQEYSA-N 0 0 180.291 2.751 10 30 AFEERN OCCCCCCC/C=C/CS 238656252 572359414 /nfs/dbraw/zinc/35/94/14/572359414.db2.gz NUDFAFMVPKKYLV-SOFGYWHQSA-N 0 0 188.336 2.805 10 30 AFEERN Cc1cnn(CCCCCCS)c1 87092644 572359484 /nfs/dbraw/zinc/35/94/84/572359484.db2.gz QLACGBUHPYIOAE-UHFFFAOYSA-N 0 0 198.335 2.682 10 30 AFEERN CCC[C@H](CS)Cn1nccc1C 87094855 572359542 /nfs/dbraw/zinc/35/95/42/572359542.db2.gz UNCVJSYDVXDFKY-JTQLQIEISA-N 0 0 198.335 2.538 10 30 AFEERN C=C(C)[C@H]1OC(C)(C)C[C@]1(C)[C@@H](C)O 307138024 572359553 /nfs/dbraw/zinc/35/95/53/572359553.db2.gz YVODWETXRBSDLL-CKYFFXLPSA-N 0 0 198.306 2.517 10 30 AFEERN C=CCCCOCCCCCCO 238656603 572359572 /nfs/dbraw/zinc/35/95/72/572359572.db2.gz MXDMSKFLBFZNRF-UHFFFAOYSA-N 0 0 186.295 2.522 10 30 AFEERN CN(CCCS)c1cccc(F)c1 87073987 572359579 /nfs/dbraw/zinc/35/95/79/572359579.db2.gz XZVRXMCFIAJXIR-UHFFFAOYSA-N 0 0 199.294 2.582 10 30 AFEERN CN(CCCS)c1ccccc1F 87073632 572359594 /nfs/dbraw/zinc/35/95/94/572359594.db2.gz WANVGDQRTSUZRS-UHFFFAOYSA-N 0 0 199.294 2.582 10 30 AFEERN CCN(CCS)c1ccc(F)cc1 87073186 572359652 /nfs/dbraw/zinc/35/96/52/572359652.db2.gz DOCICVNUJMDKMV-UHFFFAOYSA-N 0 0 199.294 2.582 10 30 AFEERN C=C([C@H](O)C1CCCC1)C(F)(F)F 307190746 572359703 /nfs/dbraw/zinc/35/97/03/572359703.db2.gz ZZSDTQVDIDZADU-QMMMGPOBSA-N 0 0 194.196 2.656 10 30 AFEERN Cc1ncn(CCCCCS)c1C 87092777 572359718 /nfs/dbraw/zinc/35/97/18/572359718.db2.gz QHRDZZGCGQYTHR-UHFFFAOYSA-N 0 0 198.335 2.600 10 30 AFEERN Cc1ccnn1CC[C@H](C)CCS 87094847 572359756 /nfs/dbraw/zinc/35/97/56/572359756.db2.gz YBLLXTYRZRDJIU-VIFPVBQESA-N 0 0 198.335 2.538 10 30 AFEERN C=CC[C@H](O)C(=C)c1ccccc1 238659199 572359759 /nfs/dbraw/zinc/35/97/59/572359759.db2.gz PPPYBRDLHZHBKV-LBPRGKRZSA-N 0 0 174.243 2.637 10 30 AFEERN C=C1C[C@]23CCCC[C@@H]2C[C@@H](O)[C@H]13 307149302 572361288 /nfs/dbraw/zinc/36/12/88/572361288.db2.gz RDMWHYBDXSSJBA-WISYIIOYSA-N 0 0 178.275 2.504 10 30 AFEERN Cc1nccn1CC[C@H](C)CCS 87091215 572359870 /nfs/dbraw/zinc/35/98/70/572359870.db2.gz PORWIYSAJZIAMK-VIFPVBQESA-N 0 0 198.335 2.538 10 30 AFEERN CCc1nccn1CCCCCS 87094644 572359902 /nfs/dbraw/zinc/35/99/02/572359902.db2.gz OQARCXUKJOZEDQ-UHFFFAOYSA-N 0 0 198.335 2.546 10 30 AFEERN CC(C)=CCC[C@@H](C)C[C@@H]1O[C@H]1CO 196889685 572360030 /nfs/dbraw/zinc/36/00/30/572360030.db2.gz VZNJXSSQLOFXGA-WOPDTQHZSA-N 0 0 198.306 2.519 10 30 AFEERN CCC[C@H](CS)Cn1cc(C)cn1 87092637 572360065 /nfs/dbraw/zinc/36/00/65/572360065.db2.gz HUMFQHWPEASSMY-JTQLQIEISA-N 0 0 198.335 2.538 10 30 AFEERN Cc1ccc(N(C)CCCS)cc1 87072224 572360082 /nfs/dbraw/zinc/36/00/82/572360082.db2.gz WRHYBABRWWQWLV-UHFFFAOYSA-N 0 0 195.331 2.751 10 30 AFEERN CN(CCCS)c1ccc(F)cc1 87073103 572360229 /nfs/dbraw/zinc/36/02/29/572360229.db2.gz JODUHMJUENMVJR-UHFFFAOYSA-N 0 0 199.294 2.582 10 30 AFEERN Cc1nccn1CC[C@@H](C)CCS 87091213 572360288 /nfs/dbraw/zinc/36/02/88/572360288.db2.gz PORWIYSAJZIAMK-SECBINFHSA-N 0 0 198.335 2.538 10 30 AFEERN Cc1ccnn1CC[C@@H](C)CCS 87094845 572360305 /nfs/dbraw/zinc/36/03/05/572360305.db2.gz YBLLXTYRZRDJIU-SECBINFHSA-N 0 0 198.335 2.538 10 30 AFEERN CC#C[C@H](O)c1cccc(C2CC2)c1 307179207 572360417 /nfs/dbraw/zinc/36/04/17/572360417.db2.gz KBGFQVNOJHNBJT-ZDUSSCGKSA-N 0 0 186.254 2.621 10 30 AFEERN CCC(CC)(CS)Cn1ccnc1 87091042 572360425 /nfs/dbraw/zinc/36/04/25/572360425.db2.gz CKJALNFIXQBLNX-UHFFFAOYSA-N 0 0 198.335 2.619 10 30 AFEERN Cc1ccn(CC[C@H](C)CCS)n1 87094907 572360435 /nfs/dbraw/zinc/36/04/35/572360435.db2.gz IFYGELLCJLKXSS-VIFPVBQESA-N 0 0 198.335 2.538 10 30 AFEERN CCO[C@@H](C#N)[C@@H](C)C(C)(C)C 307997206 572360448 /nfs/dbraw/zinc/36/04/48/572360448.db2.gz CROVFBWLWNOPKY-BDAKNGLRSA-N 0 0 169.268 2.597 10 30 AFEERN Cc1ccn(CCCCCCS)n1 87094923 572360520 /nfs/dbraw/zinc/36/05/20/572360520.db2.gz SFPYFNOXQCYGJC-UHFFFAOYSA-N 0 0 198.335 2.682 10 30 AFEERN CCC(CC)(CS)Cn1cccn1 87090931 572360723 /nfs/dbraw/zinc/36/07/23/572360723.db2.gz CPIAJABHSIOWFJ-UHFFFAOYSA-N 0 0 198.335 2.619 10 30 AFEERN CC(C)c1nccn1CCCCS 87092034 572360734 /nfs/dbraw/zinc/36/07/34/572360734.db2.gz LARGIIZRICBMFT-UHFFFAOYSA-N 0 0 198.335 2.717 10 30 AFEERN CCc1ccc(N(C)CCS)cc1 87073747 572360798 /nfs/dbraw/zinc/36/07/98/572360798.db2.gz GATWWYHCFNWCKI-UHFFFAOYSA-N 0 0 195.331 2.615 10 30 AFEERN CCC[C@H](CS)Cn1ccc(C)n1 87094915 572360963 /nfs/dbraw/zinc/36/09/63/572360963.db2.gz JKUXPEUYWZLLLE-JTQLQIEISA-N 0 0 198.335 2.538 10 30 AFEERN CCN(CCS)c1ccccc1F 87072443 572361019 /nfs/dbraw/zinc/36/10/19/572361019.db2.gz VFZGZWUZVGPIDC-UHFFFAOYSA-N 0 0 199.294 2.582 10 30 AFEERN OCCCC[C@@H](S)c1ccccc1 238663059 572361176 /nfs/dbraw/zinc/36/11/76/572361176.db2.gz FTQPHYMPZPKUAF-LLVKDONJSA-N 0 0 196.315 2.820 10 30 AFEERN CC(C)(C)C(C)(C)C#CC#N 307198698 572361185 /nfs/dbraw/zinc/36/11/85/572361185.db2.gz YJDHOQKOIAAOHU-UHFFFAOYSA-N 0 0 149.237 2.586 10 30 AFEERN N#CCCc1ccc2ccccc2c1N 238662964 572361339 /nfs/dbraw/zinc/36/13/39/572361339.db2.gz FYBCXXYJQDTKMZ-UHFFFAOYSA-N 0 0 196.253 2.878 10 30 AFEERN O=C[C@H]1C[C@@H]1CCCc1ccccc1 238662839 572361542 /nfs/dbraw/zinc/36/15/42/572361542.db2.gz SLDCQZALABOHFK-QWHCGFSZSA-N 0 0 188.270 2.844 10 30 AFEERN CCC[C@@H](C)C[C@]1(C=O)CCCOC1 317339957 572361582 /nfs/dbraw/zinc/36/15/82/572361582.db2.gz RITAMCSHPSNUDM-NEPJUHHUSA-N 0 0 198.306 2.808 10 30 AFEERN C=C(C)C(=O)C(=C)CCCC 238220567 572361606 /nfs/dbraw/zinc/36/16/06/572361606.db2.gz QJYVTYIOWWJGJS-UHFFFAOYSA-N 0 0 152.237 2.878 10 30 AFEERN SC/C=C/CSc1ccncc1 87111289 572363792 /nfs/dbraw/zinc/36/37/92/572363792.db2.gz ZLHAESXTHMRTBT-OWOJBTEDSA-N 0 0 197.328 2.660 10 30 AFEERN CCO[C@@H](C#N)[C@H](C)C(C)(C)C 307997216 572362090 /nfs/dbraw/zinc/36/20/90/572362090.db2.gz CROVFBWLWNOPKY-IUCAKERBSA-N 0 0 169.268 2.597 10 30 AFEERN CCO[C@H](C#N)[C@@H](C)C(C)(C)C 307997220 572362152 /nfs/dbraw/zinc/36/21/52/572362152.db2.gz CROVFBWLWNOPKY-RKDXNWHRSA-N 0 0 169.268 2.597 10 30 AFEERN SC/C=C/CSc1ccccn1 87097385 572362158 /nfs/dbraw/zinc/36/21/58/572362158.db2.gz NKUJZLUJPNCPKO-ONEGZZNKSA-N 0 0 197.328 2.660 10 30 AFEERN C/C=C/COCCC(C)(C)C#N 83640611 572362325 /nfs/dbraw/zinc/36/23/25/572362325.db2.gz PRHCBMOICKQNEO-SNAWJCMRSA-N 0 0 167.252 2.519 10 30 AFEERN C[C@H](CS)CSc1ccncc1 87111275 572362331 /nfs/dbraw/zinc/36/23/31/572362331.db2.gz IUPIPSKYKSQKHG-MRVPVSSYSA-N 0 0 199.344 2.740 10 30 AFEERN C=CC[C@]1(C=C)CCCCC1=O 141016583 572362351 /nfs/dbraw/zinc/36/23/51/572362351.db2.gz VBKGIYJGRBPMPG-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN C#CCC[C@@H](O)CC/C=C/CC 238220615 572362479 /nfs/dbraw/zinc/36/24/79/572362479.db2.gz VFTWOMGHRJTNGR-OKPNEXGHSA-N 0 0 166.264 2.507 10 30 AFEERN CC(C)(C#N)CCOCC(F)(F)F 83640580 572362672 /nfs/dbraw/zinc/36/26/72/572362672.db2.gz RPRCWZFKDCTOGR-UHFFFAOYSA-N 0 0 195.184 2.505 10 30 AFEERN C=CCC[C@@]1(O)CC(C)(C)OC1(C)C 307142262 572362696 /nfs/dbraw/zinc/36/26/96/572362696.db2.gz KDVCTEOEOBUYRO-GFCCVEGCSA-N 0 0 198.306 2.661 10 30 AFEERN SCCCCSc1ccncc1 87111265 572362789 /nfs/dbraw/zinc/36/27/89/572362789.db2.gz PIMDUBPTMMZPSU-UHFFFAOYSA-N 0 0 199.344 2.884 10 30 AFEERN CC(C)CCOCCC(C)(C)C#N 83640585 572362923 /nfs/dbraw/zinc/36/29/23/572362923.db2.gz QAVJQTYNYMKZHH-UHFFFAOYSA-N 0 0 183.295 2.989 10 30 AFEERN C=CCCOCCC(C)(C)C#N 83640599 572362935 /nfs/dbraw/zinc/36/29/35/572362935.db2.gz ZRJMDRMHUTULSA-UHFFFAOYSA-N 0 0 167.252 2.519 10 30 AFEERN CC[C@H](C)OCCC(C)(C)C#N 83640604 572363064 /nfs/dbraw/zinc/36/30/64/572363064.db2.gz XWNCOKJPTIGSMX-VIFPVBQESA-N 0 0 169.268 2.741 10 30 AFEERN CC[C@@H](C)OCCC(C)(C)C#N 83640603 572363071 /nfs/dbraw/zinc/36/30/71/572363071.db2.gz XWNCOKJPTIGSMX-SECBINFHSA-N 0 0 169.268 2.741 10 30 AFEERN C#C[C@@](C)(CC)Nc1ccc(C)cn1 307134756 572363090 /nfs/dbraw/zinc/36/30/90/572363090.db2.gz AFVBKJVRPAKORI-LBPRGKRZSA-N 0 0 188.274 2.604 10 30 AFEERN C=C[C@H](C)[C@@H](O)CC/C=C/CC 238220682 572363098 /nfs/dbraw/zinc/36/30/98/572363098.db2.gz AITGKNFCGFLYES-JYLGIWJRSA-N 0 0 168.280 2.916 10 30 AFEERN CCCCOCCC(C)(C)C#N 83640601 572363171 /nfs/dbraw/zinc/36/31/71/572363171.db2.gz YRNGTYHWYJRIGJ-UHFFFAOYSA-N 0 0 169.268 2.743 10 30 AFEERN C[C@H](CS)CSc1ccccn1 87097382 572363189 /nfs/dbraw/zinc/36/31/89/572363189.db2.gz BDJXRSLHPJQEHE-MRVPVSSYSA-N 0 0 199.344 2.740 10 30 AFEERN C[C@@H](CS)CSc1ccccn1 87097381 572363420 /nfs/dbraw/zinc/36/34/20/572363420.db2.gz BDJXRSLHPJQEHE-QMMMGPOBSA-N 0 0 199.344 2.740 10 30 AFEERN CC(C)COCCC(C)(C)C#N 83640587 572363451 /nfs/dbraw/zinc/36/34/51/572363451.db2.gz BAZMRKGZXDSGBF-UHFFFAOYSA-N 0 0 169.268 2.599 10 30 AFEERN C=CC[C@@]1(C=C)CCCCC1=O 141016771 572363465 /nfs/dbraw/zinc/36/34/65/572363465.db2.gz VBKGIYJGRBPMPG-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C=C(CCCC)C1=CCC(=O)O1 238220660 572363663 /nfs/dbraw/zinc/36/36/63/572363663.db2.gz XLYYXHVYLRGPHW-UHFFFAOYSA-N 0 0 166.220 2.564 10 30 AFEERN CC(C)(C#N)CCOCc1ccco1 83640581 572363689 /nfs/dbraw/zinc/36/36/89/572363689.db2.gz XZCDUFGETBSMGA-UHFFFAOYSA-N 0 0 193.246 2.736 10 30 AFEERN CC(C)(C#N)CCOC1CCCC1 83640579 572363699 /nfs/dbraw/zinc/36/36/99/572363699.db2.gz TXDOEPGSOLCYTR-UHFFFAOYSA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@H](CC#N)Sc1ccncc1 87110266 572363966 /nfs/dbraw/zinc/36/39/66/572363966.db2.gz JDHXZTXNTASBBP-SECBINFHSA-N 0 0 192.287 2.866 10 30 AFEERN C[C@@H](CS)CSc1ccncc1 87111274 572363970 /nfs/dbraw/zinc/36/39/70/572363970.db2.gz IUPIPSKYKSQKHG-QMMMGPOBSA-N 0 0 199.344 2.740 10 30 AFEERN CCCCC=NNC(CC)CC 307999943 572364045 /nfs/dbraw/zinc/36/40/45/572364045.db2.gz YUKCMQALGIWRKR-UHFFFAOYSA-N 0 0 170.300 2.941 10 30 AFEERN C=C[C@]1(C)C(=O)[C@@H](C)CC[C@H]1C 307162237 572364076 /nfs/dbraw/zinc/36/40/76/572364076.db2.gz YAPOOORHBZTMHA-NGZCFLSTSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@@H](CC#N)Sc1ccncc1 87110265 572364573 /nfs/dbraw/zinc/36/45/73/572364573.db2.gz JDHXZTXNTASBBP-VIFPVBQESA-N 0 0 192.287 2.866 10 30 AFEERN CC(C)(C)CN=NC1CCCC1 388418090 572364589 /nfs/dbraw/zinc/36/45/89/572364589.db2.gz GCUMOVFWHHKSHR-UHFFFAOYSA-N 0 0 168.284 2.551 10 30 AFEERN SCCCCSc1ccccn1 87097383 572364662 /nfs/dbraw/zinc/36/46/62/572364662.db2.gz CCENQGOSIYOVFG-UHFFFAOYSA-N 0 0 199.344 2.884 10 30 AFEERN C=C1[C@@H](O)C[C@@H]2[C@H]1C=C(C)C2(C)C 307122060 572364960 /nfs/dbraw/zinc/36/49/60/572364960.db2.gz VLZBHAIDQJXPDO-AXFHLTTASA-N 0 0 178.275 2.526 10 30 AFEERN CC(C)CCOC[C@@H](C)CS 87079188 572365091 /nfs/dbraw/zinc/36/50/91/572365091.db2.gz DLADREHVQIJVKH-SECBINFHSA-N 0 0 176.325 2.615 10 30 AFEERN C#CCC[C@@](C)(O)CCC(C)C 307999794 572365104 /nfs/dbraw/zinc/36/51/04/572365104.db2.gz GEBSQXKHDBBFSP-LLVKDONJSA-N 0 0 168.280 2.587 10 30 AFEERN CCCOCC1(CS)CCCC1 87080486 572365106 /nfs/dbraw/zinc/36/51/06/572365106.db2.gz LOHKMVNQHLWMKX-UHFFFAOYSA-N 0 0 188.336 2.903 10 30 AFEERN CC(C)CCOC[C@H](C)CS 87079189 572365118 /nfs/dbraw/zinc/36/51/18/572365118.db2.gz DLADREHVQIJVKH-VIFPVBQESA-N 0 0 176.325 2.615 10 30 AFEERN SC/C=C/COC1CCCCC1 87078977 572367868 /nfs/dbraw/zinc/36/78/68/572367868.db2.gz YMPGJYSMCGKZQA-SNAWJCMRSA-N 0 0 186.320 2.822 10 30 AFEERN C=CCC[C@]1(O)CCC[C@H]2C[C@H]21 307138532 572365133 /nfs/dbraw/zinc/36/51/33/572365133.db2.gz ARKRLYFFUOGCMU-AXFHLTTASA-N 0 0 166.264 2.504 10 30 AFEERN CCC(C)(C)OC[C@@H](C)CS 87080020 572365148 /nfs/dbraw/zinc/36/51/48/572365148.db2.gz IMSSDMNRILNNOR-MRVPVSSYSA-N 0 0 176.325 2.758 10 30 AFEERN CC(C)COCC(C)(C)CS 87079431 572365161 /nfs/dbraw/zinc/36/51/61/572365161.db2.gz DXTJSJCNKAQINS-UHFFFAOYSA-N 0 0 176.325 2.615 10 30 AFEERN CC[C@@H](C)OCC1(CS)CCC1 87080785 572365186 /nfs/dbraw/zinc/36/51/86/572365186.db2.gz BEUHCAIWBHSARG-SECBINFHSA-N 0 0 188.336 2.902 10 30 AFEERN C=CCCOC[C@H](CS)CCC 87077904 572365217 /nfs/dbraw/zinc/36/52/17/572365217.db2.gz BWRVPXVRIBRJAT-SNVBAGLBSA-N 0 0 188.336 2.925 10 30 AFEERN C=CCCOC[C@H](CC)CS 87077926 572365225 /nfs/dbraw/zinc/36/52/25/572365225.db2.gz QTCBIHAJESMZER-VIFPVBQESA-N 0 0 174.309 2.535 10 30 AFEERN CC(C)(C)OCCCCCS 87079939 572365232 /nfs/dbraw/zinc/36/52/32/572365232.db2.gz BBYPHAUWXJYKGG-UHFFFAOYSA-N 0 0 176.325 2.902 10 30 AFEERN CC[C@H]1CCCC[C@H]1OCCS 87079267 572365242 /nfs/dbraw/zinc/36/52/42/572365242.db2.gz CDRUGGFQNKZXFB-VHSXEESVSA-N 0 0 188.336 2.902 10 30 AFEERN Cc1ccc(OC[C@@H](C)CS)cc1 87078866 572365251 /nfs/dbraw/zinc/36/52/51/572365251.db2.gz GJTGHHHJEWNMMT-SNVBAGLBSA-N 0 0 196.315 2.940 10 30 AFEERN C[C@H]1CCC[C@@H](OCCCS)C1 87080087 572365258 /nfs/dbraw/zinc/36/52/58/572365258.db2.gz AYQFNCZKIVAUAG-VHSXEESVSA-N 0 0 188.336 2.902 10 30 AFEERN SCC1(COCC2CC2)CCC1 87080260 572365282 /nfs/dbraw/zinc/36/52/82/572365282.db2.gz CRUNTMYONNJRFE-UHFFFAOYSA-N 0 0 186.320 2.513 10 30 AFEERN SC/C=C/COc1ccccc1 87078531 572365292 /nfs/dbraw/zinc/36/52/92/572365292.db2.gz FJCZYZSRGKKFQW-SNAWJCMRSA-N 0 0 180.272 2.551 10 30 AFEERN Fc1ccc(OC/C=C/CS)cc1 87078510 572365297 /nfs/dbraw/zinc/36/52/97/572365297.db2.gz MXEDLKNGVRGART-OWOJBTEDSA-N 0 0 198.262 2.691 10 30 AFEERN C=CCCOCC[C@@H](C)CCS 87077913 572365302 /nfs/dbraw/zinc/36/53/02/572365302.db2.gz VFBTUDTVQZSGNL-SNVBAGLBSA-N 0 0 188.336 2.925 10 30 AFEERN C[C@H](CS)COC1CCCCC1 87078958 572365307 /nfs/dbraw/zinc/36/53/07/572365307.db2.gz NFRXMMFQFTZAPI-VIFPVBQESA-N 0 0 188.336 2.902 10 30 AFEERN Fc1cccc(OC/C=C/CS)c1 87078659 572365330 /nfs/dbraw/zinc/36/53/30/572365330.db2.gz JVSHZGDGZCLWGO-OWOJBTEDSA-N 0 0 198.262 2.691 10 30 AFEERN SCCCCCCOCC1CC1 87080249 572365438 /nfs/dbraw/zinc/36/54/38/572365438.db2.gz QDLIJWCCGPZAGM-UHFFFAOYSA-N 0 0 188.336 2.903 10 30 AFEERN C[C@H]1CCCC[C@@H]1OCCCS 87079321 572365492 /nfs/dbraw/zinc/36/54/92/572365492.db2.gz ORBSQIWVPWRWMV-UWVGGRQHSA-N 0 0 188.336 2.902 10 30 AFEERN CC[C@H](C)OCC(C)(C)CS 87080768 572365500 /nfs/dbraw/zinc/36/55/00/572365500.db2.gz ZPDAGMXUZOMGAE-QMMMGPOBSA-N 0 0 176.325 2.758 10 30 AFEERN CC[C@H]1CCC[C@@H](OCCS)C1 87082411 572365530 /nfs/dbraw/zinc/36/55/30/572365530.db2.gz CNPVKJAJJQXQCW-VHSXEESVSA-N 0 0 188.336 2.902 10 30 AFEERN CCC(C)(C)OC/C=C/CS 87080044 572365537 /nfs/dbraw/zinc/36/55/37/572365537.db2.gz RSRYYDWNNPLPBW-AATRIKPKSA-N 0 0 174.309 2.678 10 30 AFEERN C/C=C/COCC(C)(C)CS 87080816 572365562 /nfs/dbraw/zinc/36/55/62/572365562.db2.gz OFWREYFLRIMOCM-SNAWJCMRSA-N 0 0 174.309 2.535 10 30 AFEERN CC(C)(C)CCOC/C=C/CS 87083119 572365568 /nfs/dbraw/zinc/36/55/68/572365568.db2.gz NQVZDKYKHLHLGK-SNAWJCMRSA-N 0 0 188.336 2.925 10 30 AFEERN C=CCCOCC(C)(C)CS 87077922 572365590 /nfs/dbraw/zinc/36/55/90/572365590.db2.gz RKEBBHUFJMYGIM-UHFFFAOYSA-N 0 0 174.309 2.535 10 30 AFEERN CC[C@@H]1CCCC[C@H]1OCCS 87079266 572365614 /nfs/dbraw/zinc/36/56/14/572365614.db2.gz CDRUGGFQNKZXFB-NXEZZACHSA-N 0 0 188.336 2.902 10 30 AFEERN CC(C)CCOCC1(CS)CC1 87079199 572365621 /nfs/dbraw/zinc/36/56/21/572365621.db2.gz UFSDJXBXTNSJCE-UHFFFAOYSA-N 0 0 188.336 2.759 10 30 AFEERN CCC(C)(C)OC[C@H](C)CS 87080021 572365630 /nfs/dbraw/zinc/36/56/30/572365630.db2.gz IMSSDMNRILNNOR-QMMMGPOBSA-N 0 0 176.325 2.758 10 30 AFEERN CC[C@H](C)OCC1(CS)CC1 87080752 572365652 /nfs/dbraw/zinc/36/56/52/572365652.db2.gz NXNZMAKJESPJIO-QMMMGPOBSA-N 0 0 174.309 2.512 10 30 AFEERN SCCCCOCc1ccco1 87079062 572365663 /nfs/dbraw/zinc/36/56/63/572365663.db2.gz NFYTVJFVCRSKOS-UHFFFAOYSA-N 0 0 186.276 2.506 10 30 AFEERN CCCCCOCC1(CS)CC1 87080521 572365679 /nfs/dbraw/zinc/36/56/79/572365679.db2.gz JXOKRCLQLKXBRI-UHFFFAOYSA-N 0 0 188.336 2.903 10 30 AFEERN CC(C)COCCCCCS 87079426 572365697 /nfs/dbraw/zinc/36/56/97/572365697.db2.gz BGQJZWDDPRYEGK-UHFFFAOYSA-N 0 0 176.325 2.759 10 30 AFEERN SCCCOCC1CCCCC1 87080942 572365707 /nfs/dbraw/zinc/36/57/07/572365707.db2.gz OKCILEZYKFYQML-UHFFFAOYSA-N 0 0 188.336 2.903 10 30 AFEERN C=CCCOC[C@H](CS)C(C)C 87077934 572365710 /nfs/dbraw/zinc/36/57/10/572365710.db2.gz MXNSERZLTCXGSM-SNVBAGLBSA-N 0 0 188.336 2.781 10 30 AFEERN C=C1C[C@]23CCCC[C@@H]2C[C@@H](O)[C@@H]13 307167288 572368166 /nfs/dbraw/zinc/36/81/66/572368166.db2.gz RDMWHYBDXSSJBA-DDHJBXDOSA-N 0 0 178.275 2.504 10 30 AFEERN C/C=C/COCC[C@H](C)CCS 87080810 572365744 /nfs/dbraw/zinc/36/57/44/572365744.db2.gz FBZBIXVYWXGMCH-FSIBCCDJSA-N 0 0 188.336 2.925 10 30 AFEERN Cc1ccccc1OC/C=C/CS 87078490 572365749 /nfs/dbraw/zinc/36/57/49/572365749.db2.gz IBLWODZVZOLCIP-SNAWJCMRSA-N 0 0 194.299 2.860 10 30 AFEERN C=CCCOCCCCCS 87077914 572365760 /nfs/dbraw/zinc/36/57/60/572365760.db2.gz YAMXMDGQVAGWDO-UHFFFAOYSA-N 0 0 174.309 2.679 10 30 AFEERN CC1CCC(OCCCS)CC1 87079231 572365832 /nfs/dbraw/zinc/36/58/32/572365832.db2.gz KHQDAKANYDLWKU-UHFFFAOYSA-N 0 0 188.336 2.902 10 30 AFEERN CCCCCCOCCCS 87080053 572365854 /nfs/dbraw/zinc/36/58/54/572365854.db2.gz RHZKLKAAVJSGMK-UHFFFAOYSA-N 0 0 176.325 2.903 10 30 AFEERN C=CC[C@H](O)[C@H]1[C@@H]2[C@@H](C)CC[C@@]21C 307179174 572365864 /nfs/dbraw/zinc/36/58/64/572365864.db2.gz JYUNXUFKBWJHGJ-HTFCKZLJSA-N 0 0 180.291 2.606 10 30 AFEERN CC[C@H]1CCC[C@H](OCCS)C1 87082407 572365871 /nfs/dbraw/zinc/36/58/71/572365871.db2.gz CNPVKJAJJQXQCW-UWVGGRQHSA-N 0 0 188.336 2.902 10 30 AFEERN C[C@@H]1CCCC[C@H]1OCCCS 87079322 572365883 /nfs/dbraw/zinc/36/58/83/572365883.db2.gz ORBSQIWVPWRWMV-NXEZZACHSA-N 0 0 188.336 2.902 10 30 AFEERN C=CCOCC(CC)(CC)CS 87078935 572365908 /nfs/dbraw/zinc/36/59/08/572365908.db2.gz PMIOZPVEDTXBQO-UHFFFAOYSA-N 0 0 188.336 2.925 10 30 AFEERN C/C=C/COCCCCCS 87080811 572365913 /nfs/dbraw/zinc/36/59/13/572365913.db2.gz DPZKOOQNGPTVNU-NSCUHMNNSA-N 0 0 174.309 2.679 10 30 AFEERN Cc1cccc(OC/C=C/CS)c1 87078470 572365918 /nfs/dbraw/zinc/36/59/18/572365918.db2.gz VVLWNMWAPGZLQV-NSCUHMNNSA-N 0 0 194.299 2.860 10 30 AFEERN C[C@@H]1CCC[C@@H](OCCCS)C1 87080086 572365926 /nfs/dbraw/zinc/36/59/26/572365926.db2.gz AYQFNCZKIVAUAG-NXEZZACHSA-N 0 0 188.336 2.902 10 30 AFEERN CC[C@@H]1CCC[C@H](OCCS)C1 87082406 572365933 /nfs/dbraw/zinc/36/59/33/572365933.db2.gz CNPVKJAJJQXQCW-ZJUUUORDSA-N 0 0 188.336 2.902 10 30 AFEERN C=CCCOC[C@@H](CS)CCC 87077902 572365939 /nfs/dbraw/zinc/36/59/39/572365939.db2.gz BWRVPXVRIBRJAT-JTQLQIEISA-N 0 0 188.336 2.925 10 30 AFEERN SCC1(COC2CCCC2)CC1 87078992 572365946 /nfs/dbraw/zinc/36/59/46/572365946.db2.gz NWXNEISUSXYACH-UHFFFAOYSA-N 0 0 186.320 2.656 10 30 AFEERN C#CCC[C@](C)(O)CCC(C)C 307999795 572365947 /nfs/dbraw/zinc/36/59/47/572365947.db2.gz GEBSQXKHDBBFSP-NSHDSACASA-N 0 0 168.280 2.587 10 30 AFEERN C/C=C/COC[C@@H](CC)CS 87080819 572365971 /nfs/dbraw/zinc/36/59/71/572365971.db2.gz PIHKCDXKEMSRIC-HYYFJVDXSA-N 0 0 174.309 2.535 10 30 AFEERN Fc1ccccc1OC/C=C/CS 87078288 572365974 /nfs/dbraw/zinc/36/59/74/572365974.db2.gz APVOLSUOYPQHJR-ONEGZZNKSA-N 0 0 198.262 2.691 10 30 AFEERN CCCCCOC/C=C/CS 87080533 572365981 /nfs/dbraw/zinc/36/59/81/572365981.db2.gz MMROSSCMVXWYSX-AATRIKPKSA-N 0 0 174.309 2.679 10 30 AFEERN CCCCCOC[C@H](C)CS 87080510 572365985 /nfs/dbraw/zinc/36/59/85/572365985.db2.gz IRUMHVRYORJMOD-VIFPVBQESA-N 0 0 176.325 2.759 10 30 AFEERN CC(C)CCCOC/C=C/CS 87080014 572365988 /nfs/dbraw/zinc/36/59/88/572365988.db2.gz IXZMEBXBVKZOOR-ONEGZZNKSA-N 0 0 188.336 2.925 10 30 AFEERN CCCOCC[C@@H](C)CCS 87080471 572365992 /nfs/dbraw/zinc/36/59/92/572365992.db2.gz CXUIYPZZTHNWGJ-SECBINFHSA-N 0 0 176.325 2.759 10 30 AFEERN CC(C)C[C@H](C)OCCCS 87079660 572366014 /nfs/dbraw/zinc/36/60/14/572366014.db2.gz NBCVUMGELQSQDK-VIFPVBQESA-N 0 0 176.325 2.758 10 30 AFEERN C=CCCCOC[C@H](C)CS 87082863 572366066 /nfs/dbraw/zinc/36/60/66/572366066.db2.gz ICMXHZGSCUFDAJ-VIFPVBQESA-N 0 0 174.309 2.535 10 30 AFEERN CCCOCC[C@H](C)CCS 87080472 572366090 /nfs/dbraw/zinc/36/60/90/572366090.db2.gz CXUIYPZZTHNWGJ-VIFPVBQESA-N 0 0 176.325 2.759 10 30 AFEERN SCCOC/C=C/c1ccccc1 87077839 572366113 /nfs/dbraw/zinc/36/61/13/572366113.db2.gz IGYDOSPMPIDVGS-QPJJXVBHSA-N 0 0 194.299 2.646 10 30 AFEERN SCCCCCOC1CCC1 87080849 572366133 /nfs/dbraw/zinc/36/61/33/572366133.db2.gz GUTBMACDSOXIFW-UHFFFAOYSA-N 0 0 174.309 2.656 10 30 AFEERN CCC[C@H](CS)COC(C)C 87079486 572366139 /nfs/dbraw/zinc/36/61/39/572366139.db2.gz RLPKSVYCTOAROW-VIFPVBQESA-N 0 0 176.325 2.758 10 30 AFEERN CCCCOCC(C)(C)CS 87080563 572366145 /nfs/dbraw/zinc/36/61/45/572366145.db2.gz HJHWKUDPRHCHOO-UHFFFAOYSA-N 0 0 176.325 2.759 10 30 AFEERN Cc1ccc(OC/C=C/CS)cc1 87078880 572366149 /nfs/dbraw/zinc/36/61/49/572366149.db2.gz MSKOYWFXGRQNPG-NSCUHMNNSA-N 0 0 194.299 2.860 10 30 AFEERN CC[C@@H](CS)COCC(C)C 87079434 572366182 /nfs/dbraw/zinc/36/61/82/572366182.db2.gz NAIPVXZPAKWAQS-SECBINFHSA-N 0 0 176.325 2.615 10 30 AFEERN CCC[C@H](CS)COC1CCC1 87080842 572366201 /nfs/dbraw/zinc/36/62/01/572366201.db2.gz QTFLRWPFIACPFA-VIFPVBQESA-N 0 0 188.336 2.902 10 30 AFEERN C/C=C/COC[C@H](CC)CS 87080818 572366222 /nfs/dbraw/zinc/36/62/22/572366222.db2.gz PIHKCDXKEMSRIC-SGRBOOSSSA-N 0 0 174.309 2.535 10 30 AFEERN C[C@H](CCS)CCOCC1CC1 87080244 572366238 /nfs/dbraw/zinc/36/62/38/572366238.db2.gz TWYXTWUTWWJHIP-VIFPVBQESA-N 0 0 188.336 2.759 10 30 AFEERN CC[C@H](CS)CO[C@@H](C)CC 87080774 572366271 /nfs/dbraw/zinc/36/62/71/572366271.db2.gz BTIFOCOPVFZTMK-IUCAKERBSA-N 0 0 176.325 2.758 10 30 AFEERN SCCCCOCC1CCCC1 87083032 572366290 /nfs/dbraw/zinc/36/62/90/572366290.db2.gz ALNKPIMLOYUVJY-UHFFFAOYSA-N 0 0 188.336 2.903 10 30 AFEERN CC(C)C[C@@H](C)OC/C=C/CS 87079693 572366311 /nfs/dbraw/zinc/36/63/11/572366311.db2.gz AAKLVEOWBFYKCQ-ORAHPGNNSA-N 0 0 188.336 2.924 10 30 AFEERN C/C=C/COC[C@@H](CS)C(C)C 87080822 572366314 /nfs/dbraw/zinc/36/63/14/572366314.db2.gz BAUDUZHXHDUCGJ-YEZKRMTDSA-N 0 0 188.336 2.781 10 30 AFEERN C=CCOCCCCCCS 87078934 572366320 /nfs/dbraw/zinc/36/63/20/572366320.db2.gz IIJIJWRKDIKERW-UHFFFAOYSA-N 0 0 174.309 2.679 10 30 AFEERN CC(C)OCC1(CS)CCCC1 87079506 572366328 /nfs/dbraw/zinc/36/63/28/572366328.db2.gz CPKDSLUCCVKQNX-UHFFFAOYSA-N 0 0 188.336 2.902 10 30 AFEERN CC(C)C[C@@H](C)OCCCS 87079659 572366331 /nfs/dbraw/zinc/36/63/31/572366331.db2.gz NBCVUMGELQSQDK-SECBINFHSA-N 0 0 176.325 2.758 10 30 AFEERN CCCOCC1(CS)CCC1 87080487 572366345 /nfs/dbraw/zinc/36/63/45/572366345.db2.gz CTNQKUJLWIBEEY-UHFFFAOYSA-N 0 0 174.309 2.513 10 30 AFEERN CC[C@@H](C)OCC1(CS)CC1 87080751 572366348 /nfs/dbraw/zinc/36/63/48/572366348.db2.gz NXNZMAKJESPJIO-MRVPVSSYSA-N 0 0 174.309 2.512 10 30 AFEERN C/C=C/COCC1(CS)CCC1 87080825 572366355 /nfs/dbraw/zinc/36/63/55/572366355.db2.gz PYAPFEFCNURMNK-NSCUHMNNSA-N 0 0 186.320 2.679 10 30 AFEERN CCOCC(CC)(CC)CS 87079129 572366394 /nfs/dbraw/zinc/36/63/94/572366394.db2.gz UXODIQWGQMPSRG-UHFFFAOYSA-N 0 0 176.325 2.759 10 30 AFEERN CCOC[C@@H](CS)C(C)(C)C 87079116 572366398 /nfs/dbraw/zinc/36/63/98/572366398.db2.gz LUMASKLCJDTUPF-QMMMGPOBSA-N 0 0 176.325 2.615 10 30 AFEERN C=CCOC[C@@H](CS)C(C)(C)C 87078922 572366408 /nfs/dbraw/zinc/36/64/08/572366408.db2.gz RBWZSCUSLMDJFT-VIFPVBQESA-N 0 0 188.336 2.781 10 30 AFEERN CC(C)OCC[C@H](C)CCS 87079492 572366416 /nfs/dbraw/zinc/36/64/16/572366416.db2.gz KRXADIGVNINCQG-VIFPVBQESA-N 0 0 176.325 2.758 10 30 AFEERN CC(C)[C@H](CS)COC1CCC1 87080860 572366424 /nfs/dbraw/zinc/36/64/24/572366424.db2.gz ZPIXBFXBLMZRSJ-VIFPVBQESA-N 0 0 188.336 2.758 10 30 AFEERN CC[C@H](CS)COCC(C)C 87079433 572366428 /nfs/dbraw/zinc/36/64/28/572366428.db2.gz NAIPVXZPAKWAQS-VIFPVBQESA-N 0 0 176.325 2.615 10 30 AFEERN CCC[C@@H](CS)COC1CCC1 87080843 572366456 /nfs/dbraw/zinc/36/64/56/572366456.db2.gz QTFLRWPFIACPFA-SECBINFHSA-N 0 0 188.336 2.902 10 30 AFEERN CC(C)COC[C@H](CS)C(C)C 87079438 572366457 /nfs/dbraw/zinc/36/64/57/572366457.db2.gz IPFOHAYKCLGVKY-SNVBAGLBSA-N 0 0 190.352 2.861 10 30 AFEERN CCOC[C@H](CS)c1ccccc1 87079127 572366464 /nfs/dbraw/zinc/36/64/64/572366464.db2.gz FALQFQMWGLNGIS-LLVKDONJSA-N 0 0 196.315 2.737 10 30 AFEERN Cc1cccc(OC[C@@H](C)CS)c1 87078457 572366494 /nfs/dbraw/zinc/36/64/94/572366494.db2.gz MRKCAJUXDIDGPD-SNVBAGLBSA-N 0 0 196.315 2.940 10 30 AFEERN Cc1cccc(OC[C@H](C)CS)c1 87078458 572366506 /nfs/dbraw/zinc/36/65/06/572366506.db2.gz MRKCAJUXDIDGPD-JTQLQIEISA-N 0 0 196.315 2.940 10 30 AFEERN C[C@@H](CS)COCC1CCCC1 87083029 572366519 /nfs/dbraw/zinc/36/65/19/572366519.db2.gz LQXJXQCDSGFDBS-SECBINFHSA-N 0 0 188.336 2.759 10 30 AFEERN CCCCOC[C@@H](CC)CS 87080565 572366569 /nfs/dbraw/zinc/36/65/69/572366569.db2.gz TWKDARDJIQPHTC-SECBINFHSA-N 0 0 176.325 2.759 10 30 AFEERN C=CCCCOC[C@H](CC)CS 87082907 572366580 /nfs/dbraw/zinc/36/65/80/572366580.db2.gz RQJWEGYNENFALW-JTQLQIEISA-N 0 0 188.336 2.925 10 30 AFEERN SCC1(COc2ccccc2)CC1 87078523 572366586 /nfs/dbraw/zinc/36/65/86/572366586.db2.gz OPCVXZAYHFPVFC-UHFFFAOYSA-N 0 0 194.299 2.775 10 30 AFEERN C=CCOCC[C@@H](C)CCS 87078930 572366605 /nfs/dbraw/zinc/36/66/05/572366605.db2.gz BFAUCFUBESWLAX-SECBINFHSA-N 0 0 174.309 2.535 10 30 AFEERN SCCCCCOCC1CC1 87080246 572366614 /nfs/dbraw/zinc/36/66/14/572366614.db2.gz PTJMNHQWEPXZKQ-UHFFFAOYSA-N 0 0 174.309 2.513 10 30 AFEERN C=CCOC[C@H](CS)C(C)(C)C 87078923 572366621 /nfs/dbraw/zinc/36/66/21/572366621.db2.gz RBWZSCUSLMDJFT-SECBINFHSA-N 0 0 188.336 2.781 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1OCCS 87079264 572366631 /nfs/dbraw/zinc/36/66/31/572366631.db2.gz CDRUGGFQNKZXFB-ZJUUUORDSA-N 0 0 188.336 2.902 10 30 AFEERN C[C@@H]1CC=CC[C@H]1COCCS 87080162 572366641 /nfs/dbraw/zinc/36/66/41/572366641.db2.gz QAAWIXUNJLWCKK-ZJUUUORDSA-N 0 0 186.320 2.535 10 30 AFEERN CC(C)[C@H](CS)COCC1CC1 87080257 572366646 /nfs/dbraw/zinc/36/66/46/572366646.db2.gz XMNYNYYKOAEIDR-JTQLQIEISA-N 0 0 188.336 2.615 10 30 AFEERN C=CCCCOC[C@@H](C)CS 87082864 572366839 /nfs/dbraw/zinc/36/68/39/572366839.db2.gz ICMXHZGSCUFDAJ-SECBINFHSA-N 0 0 174.309 2.535 10 30 AFEERN SCC1(COCc2ccco2)CC1 87079070 572366689 /nfs/dbraw/zinc/36/66/89/572366689.db2.gz UQWKUCLTZSRDGS-UHFFFAOYSA-N 0 0 198.287 2.506 10 30 AFEERN C=CCCOCC1(CS)CCC1 87077938 572366700 /nfs/dbraw/zinc/36/67/00/572366700.db2.gz PFYWJJDMVFSJHN-UHFFFAOYSA-N 0 0 186.320 2.679 10 30 AFEERN C/C=C/COC[C@@H](CS)CCC 87080804 572366706 /nfs/dbraw/zinc/36/67/06/572366706.db2.gz MEIKNFNYOGEWRS-GFAPAMAISA-N 0 0 188.336 2.925 10 30 AFEERN CC(C)CCOC/C=C/CS 87079211 572366825 /nfs/dbraw/zinc/36/68/25/572366825.db2.gz IFGGDYJRVKCWNR-ONEGZZNKSA-N 0 0 174.309 2.535 10 30 AFEERN CCCOC[C@H](CS)C(C)C 87080485 572366730 /nfs/dbraw/zinc/36/67/30/572366730.db2.gz LSJJPFZEFDHHFO-SECBINFHSA-N 0 0 176.325 2.615 10 30 AFEERN CC[C@H]1CCCC[C@@H]1OCCS 87079265 572366735 /nfs/dbraw/zinc/36/67/35/572366735.db2.gz CDRUGGFQNKZXFB-UWVGGRQHSA-N 0 0 188.336 2.902 10 30 AFEERN CCC(C)(C)OCC1(CS)CC1 87080032 572366746 /nfs/dbraw/zinc/36/67/46/572366746.db2.gz GQYNCAOKBMCUEN-UHFFFAOYSA-N 0 0 188.336 2.902 10 30 AFEERN C/C=C/COC[C@H](CS)CCC 87080805 572366757 /nfs/dbraw/zinc/36/67/57/572366757.db2.gz MEIKNFNYOGEWRS-RXNUUUNCSA-N 0 0 188.336 2.925 10 30 AFEERN C=CCOC[C@@H](CS)CCC 87078924 572366776 /nfs/dbraw/zinc/36/67/76/572366776.db2.gz NVKJOPFYIZNZLW-VIFPVBQESA-N 0 0 174.309 2.535 10 30 AFEERN CCC[C@H](CS)COCC1CC1 87080239 572366786 /nfs/dbraw/zinc/36/67/86/572366786.db2.gz MFKGIEZBJCUGEW-JTQLQIEISA-N 0 0 188.336 2.759 10 30 AFEERN CC(C)(CS)COC1CCCC1 87079000 572366847 /nfs/dbraw/zinc/36/68/47/572366847.db2.gz QRWJVDKGVZEREC-UHFFFAOYSA-N 0 0 188.336 2.902 10 30 AFEERN C=CCCOC[C@@H](CS)C(C)C 87077932 572366886 /nfs/dbraw/zinc/36/68/86/572366886.db2.gz MXNSERZLTCXGSM-JTQLQIEISA-N 0 0 188.336 2.781 10 30 AFEERN CC[C@@H]1CCC[C@@H](OCCS)C1 87082409 572366889 /nfs/dbraw/zinc/36/68/89/572366889.db2.gz CNPVKJAJJQXQCW-NXEZZACHSA-N 0 0 188.336 2.902 10 30 AFEERN CCOC[C@@H](CS)c1ccccc1 87079126 572366894 /nfs/dbraw/zinc/36/68/94/572366894.db2.gz FALQFQMWGLNGIS-NSHDSACASA-N 0 0 196.315 2.737 10 30 AFEERN CC(C)OC[C@@H](CS)C(C)C 87079504 572366906 /nfs/dbraw/zinc/36/69/06/572366906.db2.gz NSHSWNCINDMCMO-VIFPVBQESA-N 0 0 176.325 2.613 10 30 AFEERN CCCOC[C@@H](CS)C(C)C 87080484 572366915 /nfs/dbraw/zinc/36/69/15/572366915.db2.gz LSJJPFZEFDHHFO-VIFPVBQESA-N 0 0 176.325 2.615 10 30 AFEERN CC(C)[C@@H](CS)COC1CCC1 87080861 572366917 /nfs/dbraw/zinc/36/69/17/572366917.db2.gz ZPIXBFXBLMZRSJ-SECBINFHSA-N 0 0 188.336 2.758 10 30 AFEERN C=C(C)[C@H](O)[C@H]1CCCC(F)(F)C1 300903001 572366919 /nfs/dbraw/zinc/36/69/19/572366919.db2.gz CLMXUFCKALQIRW-IUCAKERBSA-N 0 0 190.233 2.749 10 30 AFEERN C=CCCOC[C@@H](CC)CS 87077928 572366920 /nfs/dbraw/zinc/36/69/20/572366920.db2.gz QTCBIHAJESMZER-SECBINFHSA-N 0 0 174.309 2.535 10 30 AFEERN CC[C@H](C)OCCCCCS 87080758 572366924 /nfs/dbraw/zinc/36/69/24/572366924.db2.gz VOHDQBUCAMFYND-VIFPVBQESA-N 0 0 176.325 2.902 10 30 AFEERN C[C@@H]1CC=CC[C@@H]1COCCS 87080160 572366943 /nfs/dbraw/zinc/36/69/43/572366943.db2.gz QAAWIXUNJLWCKK-NXEZZACHSA-N 0 0 186.320 2.535 10 30 AFEERN SC/C=C/COCC1CCCC1 87083068 572366971 /nfs/dbraw/zinc/36/69/71/572366971.db2.gz DGVXPEOFCAIWAY-ONEGZZNKSA-N 0 0 186.320 2.679 10 30 AFEERN CC(C)OC[C@H](CS)C(C)C 87079505 572366975 /nfs/dbraw/zinc/36/69/75/572366975.db2.gz NSHSWNCINDMCMO-SECBINFHSA-N 0 0 176.325 2.613 10 30 AFEERN C=CCCOCC[C@H](C)CCS 87077911 572366989 /nfs/dbraw/zinc/36/69/89/572366989.db2.gz VFBTUDTVQZSGNL-JTQLQIEISA-N 0 0 188.336 2.925 10 30 AFEERN SCCCOCC1CCCC1 87083033 572367035 /nfs/dbraw/zinc/36/70/35/572367035.db2.gz ZSHZHUBDILBMAG-UHFFFAOYSA-N 0 0 174.309 2.513 10 30 AFEERN C[C@@H](CS)COc1ccccc1 87078517 572367045 /nfs/dbraw/zinc/36/70/45/572367045.db2.gz BQZYPJFYPMNYOI-SECBINFHSA-N 0 0 182.288 2.631 10 30 AFEERN SCCCCCOc1cccnc1 87081078 572367049 /nfs/dbraw/zinc/36/70/49/572367049.db2.gz LAZFHJGRZYLJBB-UHFFFAOYSA-N 0 0 197.303 2.561 10 30 AFEERN C=CCOCC1(CS)CCCC1 87078944 572367055 /nfs/dbraw/zinc/36/70/55/572367055.db2.gz AQRPZOGBPRBPSG-UHFFFAOYSA-N 0 0 186.320 2.679 10 30 AFEERN CC[C@H](C)OC[C@@H](CC)CS 87080772 572367064 /nfs/dbraw/zinc/36/70/64/572367064.db2.gz BTIFOCOPVFZTMK-DTWKUNHWSA-N 0 0 176.325 2.758 10 30 AFEERN C=CCCCOCC(C)(C)CS 87082903 572367188 /nfs/dbraw/zinc/36/71/88/572367188.db2.gz HNDNMOBCWMXBJC-UHFFFAOYSA-N 0 0 188.336 2.925 10 30 AFEERN CCCCOC[C@H](CC)CS 87080566 572367085 /nfs/dbraw/zinc/36/70/85/572367085.db2.gz TWKDARDJIQPHTC-VIFPVBQESA-N 0 0 176.325 2.759 10 30 AFEERN C[C@@H]1CCCC[C@@H]1OCCCS 87079320 572367090 /nfs/dbraw/zinc/36/70/90/572367090.db2.gz ORBSQIWVPWRWMV-ZJUUUORDSA-N 0 0 188.336 2.902 10 30 AFEERN CC(C)[C@@H](CS)COCC1CC1 87080258 572367094 /nfs/dbraw/zinc/36/70/94/572367094.db2.gz XMNYNYYKOAEIDR-SNVBAGLBSA-N 0 0 188.336 2.615 10 30 AFEERN C[C@H](CS)COCC1CCCC1 87083028 572367124 /nfs/dbraw/zinc/36/71/24/572367124.db2.gz LQXJXQCDSGFDBS-VIFPVBQESA-N 0 0 188.336 2.759 10 30 AFEERN CC(C)C[C@H](C)OC/C=C/CS 87079694 572367151 /nfs/dbraw/zinc/36/71/51/572367151.db2.gz AAKLVEOWBFYKCQ-YEZKRMTDSA-N 0 0 188.336 2.924 10 30 AFEERN C[C@@H](CCS)CCOCC1CC1 87080245 572367193 /nfs/dbraw/zinc/36/71/93/572367193.db2.gz TWYXTWUTWWJHIP-SECBINFHSA-N 0 0 188.336 2.759 10 30 AFEERN CC(C)OCCCCCCS 87079496 572367234 /nfs/dbraw/zinc/36/72/34/572367234.db2.gz HEWRZMVPOLRRRN-UHFFFAOYSA-N 0 0 176.325 2.902 10 30 AFEERN CC[C@H](CS)COC1CCC1 87080856 572367242 /nfs/dbraw/zinc/36/72/42/572367242.db2.gz LFNUITBKIQUQMX-QMMMGPOBSA-N 0 0 174.309 2.512 10 30 AFEERN C=CCCCOC[C@@H](CC)CS 87082909 572367277 /nfs/dbraw/zinc/36/72/77/572367277.db2.gz RQJWEGYNENFALW-SNVBAGLBSA-N 0 0 188.336 2.925 10 30 AFEERN CC[C@@H](CS)COC1CCCC1 87079003 572367306 /nfs/dbraw/zinc/36/73/06/572367306.db2.gz APYSHNYGSWBDFW-SECBINFHSA-N 0 0 188.336 2.902 10 30 AFEERN CC(C)COC[C@@H](CS)C(C)C 87079437 572367317 /nfs/dbraw/zinc/36/73/17/572367317.db2.gz IPFOHAYKCLGVKY-JTQLQIEISA-N 0 0 190.352 2.861 10 30 AFEERN CCOCC1(CS)CCCCC1 87079121 572367322 /nfs/dbraw/zinc/36/73/22/572367322.db2.gz HYDJFSJVTGBDHI-UHFFFAOYSA-N 0 0 188.336 2.903 10 30 AFEERN CCCCOCC1(CS)CCC1 87080571 572367365 /nfs/dbraw/zinc/36/73/65/572367365.db2.gz RAINDNRBQRXMOT-UHFFFAOYSA-N 0 0 188.336 2.903 10 30 AFEERN Cc1ccccc1OC[C@@H](C)CS 87078476 572367390 /nfs/dbraw/zinc/36/73/90/572367390.db2.gz QCRWVQJHHTZRTG-SECBINFHSA-N 0 0 196.315 2.940 10 30 AFEERN CC(C)(C)OCC1(CS)CCC1 87079953 572367404 /nfs/dbraw/zinc/36/74/04/572367404.db2.gz SEPCFXNQYNBVAW-UHFFFAOYSA-N 0 0 188.336 2.902 10 30 AFEERN CCCOC[C@H](CS)CCC 87080467 572367428 /nfs/dbraw/zinc/36/74/28/572367428.db2.gz GFQCLAXEIMDFHB-SECBINFHSA-N 0 0 176.325 2.759 10 30 AFEERN C/C=C/COCC[C@@H](C)CCS 87080809 572367445 /nfs/dbraw/zinc/36/74/45/572367445.db2.gz FBZBIXVYWXGMCH-HMDXOVGESA-N 0 0 188.336 2.925 10 30 AFEERN CC[C@H](C)OCC1(CS)CCC1 87080786 572367451 /nfs/dbraw/zinc/36/74/51/572367451.db2.gz BEUHCAIWBHSARG-VIFPVBQESA-N 0 0 188.336 2.902 10 30 AFEERN CC(C)OCC[C@@H](C)CCS 87079491 572367463 /nfs/dbraw/zinc/36/74/63/572367463.db2.gz KRXADIGVNINCQG-SECBINFHSA-N 0 0 176.325 2.758 10 30 AFEERN C[C@H]1CCCC[C@H]1OCCCS 87079323 572367491 /nfs/dbraw/zinc/36/74/91/572367491.db2.gz ORBSQIWVPWRWMV-VHSXEESVSA-N 0 0 188.336 2.902 10 30 AFEERN Cc1ccccc1OC[C@H](C)CS 87078477 572367531 /nfs/dbraw/zinc/36/75/31/572367531.db2.gz QCRWVQJHHTZRTG-VIFPVBQESA-N 0 0 196.315 2.940 10 30 AFEERN CC[C@@H](CS)CO[C@H](C)CC 87080771 572367538 /nfs/dbraw/zinc/36/75/38/572367538.db2.gz BTIFOCOPVFZTMK-RKDXNWHRSA-N 0 0 176.325 2.758 10 30 AFEERN C=CCOC[C@H](CS)CCC 87078925 572367550 /nfs/dbraw/zinc/36/75/50/572367550.db2.gz NVKJOPFYIZNZLW-SECBINFHSA-N 0 0 174.309 2.535 10 30 AFEERN C[C@H]1CC=CC[C@@H]1COCCS 87080161 572367556 /nfs/dbraw/zinc/36/75/56/572367556.db2.gz QAAWIXUNJLWCKK-VHSXEESVSA-N 0 0 186.320 2.535 10 30 AFEERN CC[C@H](CS)CO[C@H](C)CC 87080773 572367561 /nfs/dbraw/zinc/36/75/61/572367561.db2.gz BTIFOCOPVFZTMK-BDAKNGLRSA-N 0 0 176.325 2.758 10 30 AFEERN C=CCOCC[C@H](C)CCS 87078929 572367572 /nfs/dbraw/zinc/36/75/72/572367572.db2.gz BFAUCFUBESWLAX-VIFPVBQESA-N 0 0 174.309 2.535 10 30 AFEERN CCOC[C@H](CS)C(C)(C)C 87079117 572367620 /nfs/dbraw/zinc/36/76/20/572367620.db2.gz LUMASKLCJDTUPF-MRVPVSSYSA-N 0 0 176.325 2.615 10 30 AFEERN CC(C)CCOCCCCS 87079190 572367628 /nfs/dbraw/zinc/36/76/28/572367628.db2.gz OVMJSULTWLAAKI-UHFFFAOYSA-N 0 0 176.325 2.759 10 30 AFEERN CCCc1ccc(OCCS)cc1 87080885 572367635 /nfs/dbraw/zinc/36/76/35/572367635.db2.gz GDQBHDHWIIIQJM-UHFFFAOYSA-N 0 0 196.315 2.948 10 30 AFEERN CC[C@H](CS)COC(C)(C)C 87079946 572367642 /nfs/dbraw/zinc/36/76/42/572367642.db2.gz VSQOQERBSQPKHD-QMMMGPOBSA-N 0 0 176.325 2.758 10 30 AFEERN SCC1(COC2CCC2)CCC1 87080863 572367647 /nfs/dbraw/zinc/36/76/47/572367647.db2.gz JKJBCAHZMZGGCK-UHFFFAOYSA-N 0 0 186.320 2.656 10 30 AFEERN C[C@H]1CC=CC[C@H]1COCCS 87080163 572367651 /nfs/dbraw/zinc/36/76/51/572367651.db2.gz QAAWIXUNJLWCKK-UWVGGRQHSA-N 0 0 186.320 2.535 10 30 AFEERN C/C=C/COC[C@H](CS)C(C)C 87080823 572367668 /nfs/dbraw/zinc/36/76/68/572367668.db2.gz BAUDUZHXHDUCGJ-ORAHPGNNSA-N 0 0 188.336 2.781 10 30 AFEERN CC[C@@H](C)OCC(C)(C)CS 87080767 572367672 /nfs/dbraw/zinc/36/76/72/572367672.db2.gz ZPDAGMXUZOMGAE-MRVPVSSYSA-N 0 0 176.325 2.758 10 30 AFEERN CCCCCOC[C@@H](C)CS 87080509 572367678 /nfs/dbraw/zinc/36/76/78/572367678.db2.gz IRUMHVRYORJMOD-SECBINFHSA-N 0 0 176.325 2.759 10 30 AFEERN C=CCCCOCCCCS 87082866 572367704 /nfs/dbraw/zinc/36/77/04/572367704.db2.gz HLAVXEIBISCUTM-UHFFFAOYSA-N 0 0 174.309 2.679 10 30 AFEERN CC[C@@H](C)OCCCCCS 87080757 572367719 /nfs/dbraw/zinc/36/77/19/572367719.db2.gz VOHDQBUCAMFYND-SECBINFHSA-N 0 0 176.325 2.902 10 30 AFEERN CCCOC[C@@H](CS)CCC 87080466 572367737 /nfs/dbraw/zinc/36/77/37/572367737.db2.gz GFQCLAXEIMDFHB-VIFPVBQESA-N 0 0 176.325 2.759 10 30 AFEERN CCCOCCCCCCS 87080476 572367743 /nfs/dbraw/zinc/36/77/43/572367743.db2.gz JZXHRFNQRRRTSM-UHFFFAOYSA-N 0 0 176.325 2.903 10 30 AFEERN Cc1ccc(OC[C@H](C)CS)cc1 87078867 572367769 /nfs/dbraw/zinc/36/77/69/572367769.db2.gz GJTGHHHJEWNMMT-JTQLQIEISA-N 0 0 196.315 2.940 10 30 AFEERN CCC[C@@H](CS)COCC1CC1 87080240 572367780 /nfs/dbraw/zinc/36/77/80/572367780.db2.gz MFKGIEZBJCUGEW-SNVBAGLBSA-N 0 0 188.336 2.759 10 30 AFEERN C[C@H]1CCC[C@H](OCCCS)C1 87080085 572367798 /nfs/dbraw/zinc/36/77/98/572367798.db2.gz AYQFNCZKIVAUAG-UWVGGRQHSA-N 0 0 188.336 2.902 10 30 AFEERN CCC(C)(C)OCCCCS 87080022 572367805 /nfs/dbraw/zinc/36/78/05/572367805.db2.gz VNAULUFQKJEUOM-UHFFFAOYSA-N 0 0 176.325 2.902 10 30 AFEERN CC(C)COCC1(CS)CCC1 87079440 572367809 /nfs/dbraw/zinc/36/78/09/572367809.db2.gz RMVYBRDGUGNGQB-UHFFFAOYSA-N 0 0 188.336 2.759 10 30 AFEERN CCCCOCC1(CS)CC1 87080555 572367813 /nfs/dbraw/zinc/36/78/13/572367813.db2.gz LMPXXVXOVXUGQD-UHFFFAOYSA-N 0 0 174.309 2.513 10 30 AFEERN CC(C)(C)CCOCCCS 87083085 572367818 /nfs/dbraw/zinc/36/78/18/572367818.db2.gz QHTAJNBOMJYXLO-UHFFFAOYSA-N 0 0 176.325 2.759 10 30 AFEERN C[C@@H](CCS)CCOC1CCC1 87080848 572367820 /nfs/dbraw/zinc/36/78/20/572367820.db2.gz NEIQVYLZDFNUII-SECBINFHSA-N 0 0 188.336 2.902 10 30 AFEERN C[C@@H](CS)COC1CCCCC1 87078959 572367833 /nfs/dbraw/zinc/36/78/33/572367833.db2.gz NFRXMMFQFTZAPI-SECBINFHSA-N 0 0 188.336 2.902 10 30 AFEERN CC[C@@H](CS)COC(C)(C)C 87079947 572367847 /nfs/dbraw/zinc/36/78/47/572367847.db2.gz VSQOQERBSQPKHD-MRVPVSSYSA-N 0 0 176.325 2.758 10 30 AFEERN CCC[C@@H](CS)COC(C)C 87079487 572367851 /nfs/dbraw/zinc/36/78/51/572367851.db2.gz RLPKSVYCTOAROW-SECBINFHSA-N 0 0 176.325 2.758 10 30 AFEERN CC[C@@H](CS)COC1CCC1 87080857 572367860 /nfs/dbraw/zinc/36/78/60/572367860.db2.gz LFNUITBKIQUQMX-MRVPVSSYSA-N 0 0 174.309 2.512 10 30 AFEERN C[C@H](CCS)CCOC1CCC1 87080847 572367883 /nfs/dbraw/zinc/36/78/83/572367883.db2.gz NEIQVYLZDFNUII-VIFPVBQESA-N 0 0 188.336 2.902 10 30 AFEERN C=CCc1ccccc1OCCS 87080706 572367887 /nfs/dbraw/zinc/36/78/87/572367887.db2.gz VSNVMZKMOGCRMF-UHFFFAOYSA-N 0 0 194.299 2.724 10 30 AFEERN CCCCOCCCCCS 87080558 572367897 /nfs/dbraw/zinc/36/78/97/572367897.db2.gz OPCNIUQZZCHKDT-UHFFFAOYSA-N 0 0 176.325 2.903 10 30 AFEERN C[C@@H]1CCC[C@H](OCCCS)C1 87080084 572367903 /nfs/dbraw/zinc/36/79/03/572367903.db2.gz AYQFNCZKIVAUAG-ZJUUUORDSA-N 0 0 188.336 2.902 10 30 AFEERN CC[C@H](CS)COC1CCCC1 87079002 572367909 /nfs/dbraw/zinc/36/79/09/572367909.db2.gz APYSHNYGSWBDFW-VIFPVBQESA-N 0 0 188.336 2.902 10 30 AFEERN C=C(C)CNc1cc(F)c(F)cc1N 307178330 572368107 /nfs/dbraw/zinc/36/81/07/572368107.db2.gz KEUGXYUWGYQIIT-UHFFFAOYSA-N 0 0 198.216 2.535 10 30 AFEERN C#C/C=C/[NH2+]CCCCCCC 238222529 572368113 /nfs/dbraw/zinc/36/81/13/572368113.db2.gz VRYPXROQTUZXDM-UXBLZVDNSA-N 0 0 165.280 2.693 10 30 AFEERN CCCCCCCC=NN(C)C 307992579 572368199 /nfs/dbraw/zinc/36/81/99/572368199.db2.gz UNSBJLZJCKEMLD-UHFFFAOYSA-N 0 0 170.300 2.894 10 30 AFEERN C=C[C@@H](O)[C@H]1CC[C@H](CC)CC1 307168828 572368218 /nfs/dbraw/zinc/36/82/18/572368218.db2.gz WARXMWDCGFQPTF-GMTAPVOTSA-N 0 0 168.280 2.750 10 30 AFEERN O[C@H](C#Cc1ccccc1)C1=CCCC1 238673144 572368318 /nfs/dbraw/zinc/36/83/18/572368318.db2.gz QBSVNHLYSGIGTJ-CQSZACIVSA-N 0 0 198.265 2.509 10 30 AFEERN C=CC[C@H]1C=C[C@@H](O)CCCC1 238673119 572368345 /nfs/dbraw/zinc/36/83/45/572368345.db2.gz VSNSMJBZJRMZJW-MNOVXSKESA-N 0 0 166.264 2.670 10 30 AFEERN C[C@@H](CC#N)CC(=O)C(C)(C)C 76596095 572368395 /nfs/dbraw/zinc/36/83/95/572368395.db2.gz DQNYCIYYRKPYBT-QMMMGPOBSA-N 0 0 167.252 2.541 10 30 AFEERN C[C@H](C#N)C[C@H]1CCCCCC1=O 141090409 572368399 /nfs/dbraw/zinc/36/83/99/572368399.db2.gz DZIGORRGADWEPT-VHSXEESVSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@](C)(O)C#Cc1ccccc1 307110452 572368661 /nfs/dbraw/zinc/36/86/61/572368661.db2.gz LRJIVVZGGAHTRM-ZDUSSCGKSA-N 0 0 188.270 2.589 10 30 AFEERN C[C@@H](C#N)C[C@@H]1CCCCCC1=O 141090213 572368669 /nfs/dbraw/zinc/36/86/69/572368669.db2.gz DZIGORRGADWEPT-ZJUUUORDSA-N 0 0 179.263 2.686 10 30 AFEERN CCC#CC[C@H](O)CCCCC 308000734 572368899 /nfs/dbraw/zinc/36/88/99/572368899.db2.gz HBQRRTLECZLFKM-LLVKDONJSA-N 0 0 168.280 2.731 10 30 AFEERN C[C@H](CCC#N)C(=O)C(C)(C)C 76596100 572368975 /nfs/dbraw/zinc/36/89/75/572368975.db2.gz PRTZSHXOZFYJPL-MRVPVSSYSA-N 0 0 167.252 2.541 10 30 AFEERN C=CCc1ccc(N)c(CC=C)c1 117048839 572369057 /nfs/dbraw/zinc/36/90/57/572369057.db2.gz NWJMQTGYWZBUKU-UHFFFAOYSA-N 0 0 173.259 2.726 10 30 AFEERN Cc1ccccc1O[C@H](C=O)C(C)C 238222484 572369234 /nfs/dbraw/zinc/36/92/34/572369234.db2.gz OOCRGUHQNNELIY-GFCCVEGCSA-N 0 0 192.258 2.597 10 30 AFEERN C/C=C\C[C@@H](O)C#CCCCC 307992672 572369236 /nfs/dbraw/zinc/36/92/36/572369236.db2.gz YFYUTVDWYQIVFR-VLWUPBBWSA-N 0 0 166.264 2.507 10 30 AFEERN C#C/C(C)=C(\C)C[C@@H]1CCCC1=O 307151778 572369319 /nfs/dbraw/zinc/36/93/19/572369319.db2.gz WKENFEYCAYTTMC-USKTWTLRSA-N 0 0 176.259 2.715 10 30 AFEERN CCC[C@](C#N)(C(C)=O)C(C)C 238222483 572369423 /nfs/dbraw/zinc/36/94/23/572369423.db2.gz AQEZENGIHRNFKK-SNVBAGLBSA-N 0 0 167.252 2.541 10 30 AFEERN C/C=C\C[C@H](O)C#CCCCC 307992671 572369452 /nfs/dbraw/zinc/36/94/52/572369452.db2.gz YFYUTVDWYQIVFR-QZPNVGJNSA-N 0 0 166.264 2.507 10 30 AFEERN C=CCC[C@]1(O)CC(C)(C)OC1(C)C 307142264 572369459 /nfs/dbraw/zinc/36/94/59/572369459.db2.gz KDVCTEOEOBUYRO-LBPRGKRZSA-N 0 0 198.306 2.661 10 30 AFEERN C=C/C=C(\C)CCC[C@@H](O)C=C 307994105 572371954 /nfs/dbraw/zinc/37/19/54/572371954.db2.gz ZWHPYITVZTXKCG-HUYFXPKMSA-N 0 0 166.264 2.836 10 30 AFEERN C=CCC(F)(F)C(=O)CCCC 238222581 572369944 /nfs/dbraw/zinc/36/99/44/572369944.db2.gz IVGQADLDEZHOKX-UHFFFAOYSA-N 0 0 176.206 2.957 10 30 AFEERN C=CC[C@@H]1NC(=O)O[C@H]1CCCCC 238222430 572370300 /nfs/dbraw/zinc/37/03/00/572370300.db2.gz OJSXRVSURPQJSV-UWVGGRQHSA-N 0 0 197.278 2.620 10 30 AFEERN C[C@H](CC#N)CC(=O)C(C)(C)C 76596097 572370385 /nfs/dbraw/zinc/37/03/85/572370385.db2.gz DQNYCIYYRKPYBT-MRVPVSSYSA-N 0 0 167.252 2.541 10 30 AFEERN CC#CC[C@@H]([NH2+]C)c1csc(C)c1 307153571 572370449 /nfs/dbraw/zinc/37/04/49/572370449.db2.gz BYHBPTXACITJRO-LLVKDONJSA-N 0 0 193.315 2.730 10 30 AFEERN C[C@@H](CCC#N)C(=O)C(C)(C)C 76596099 572370489 /nfs/dbraw/zinc/37/04/89/572370489.db2.gz PRTZSHXOZFYJPL-QMMMGPOBSA-N 0 0 167.252 2.541 10 30 AFEERN C[C@@H](C#N)C[C@H]1CCCCCC1=O 141090597 572370845 /nfs/dbraw/zinc/37/08/45/572370845.db2.gz DZIGORRGADWEPT-NXEZZACHSA-N 0 0 179.263 2.686 10 30 AFEERN CCCCN=Nc1nc(C)cs1 307994814 572371061 /nfs/dbraw/zinc/37/10/61/572371061.db2.gz VSHXWVDWRWFIPK-UHFFFAOYSA-N 0 0 183.280 2.649 10 30 AFEERN C=CCSC(=S)OC(C)C 307189674 572376712 /nfs/dbraw/zinc/37/67/12/572376712.db2.gz YKNZEQYWCZOVMH-UHFFFAOYSA-N 0 0 176.306 2.616 10 30 AFEERN C=C/C=C(\C)CCC[C@H](O)C=C 307994106 572371445 /nfs/dbraw/zinc/37/14/45/572371445.db2.gz ZWHPYITVZTXKCG-PFEDMVJOSA-N 0 0 166.264 2.836 10 30 AFEERN C=C(CCCC)[C@H]1CCC[C@H]1O 238221207 572371504 /nfs/dbraw/zinc/37/15/04/572371504.db2.gz FUNUNTRURGABCE-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN C[C@H](C#N)C[C@@H]1CCCCCC1=O 141090064 572371582 /nfs/dbraw/zinc/37/15/82/572371582.db2.gz DZIGORRGADWEPT-UWVGGRQHSA-N 0 0 179.263 2.686 10 30 AFEERN C#Cc1cc(C)cc(C#CCCC)c1N 238221692 572371874 /nfs/dbraw/zinc/37/18/74/572371874.db2.gz ITVRSVLWLTWTET-UHFFFAOYSA-N 0 0 197.281 2.710 10 30 AFEERN CCCCCC[C@H](C=O)/C=C/COC 238221016 572371908 /nfs/dbraw/zinc/37/19/08/572371908.db2.gz CCIXGCXNXOKTJC-CRALRDPISA-N 0 0 198.306 2.975 10 30 AFEERN CCCCOCC1=CC[C@@H](C=O)CC1 238222631 572371965 /nfs/dbraw/zinc/37/19/65/572371965.db2.gz PJJFQJHJDUEBTC-LLVKDONJSA-N 0 0 196.290 2.729 10 30 AFEERN C=C(CCCC)[C@H](O)C1=CCCCO1 238221105 572372001 /nfs/dbraw/zinc/37/20/01/572372001.db2.gz ZGMYBFWHXQKFCO-LBPRGKRZSA-N 0 0 196.290 2.788 10 30 AFEERN CC=CC(=O)C=C=CC(C)(C)C 307993921 572372372 /nfs/dbraw/zinc/37/23/72/572372372.db2.gz ZRBJPDRLVUEPND-ALCCZGGFSA-N 0 0 164.248 2.571 10 30 AFEERN C=C(CCCC)[C@H]1CCC[C@@H]1O 238221191 572372458 /nfs/dbraw/zinc/37/24/58/572372458.db2.gz FUNUNTRURGABCE-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN CC[C@H](C)C(C)=NNC(C)(C)C 307994168 572372484 /nfs/dbraw/zinc/37/24/84/572372484.db2.gz ASUBPGXMXJFTCA-QMMMGPOBSA-N 0 0 170.300 2.797 10 30 AFEERN C#CCC/C=C\CCCCCO 307993792 572372576 /nfs/dbraw/zinc/37/25/76/572372576.db2.gz ZJHZQNFBBUDHHT-WAYWQWQTSA-N 0 0 166.264 2.509 10 30 AFEERN C=C(CCCC)[C@@H]1CCC[C@H]1O 238221063 572372850 /nfs/dbraw/zinc/37/28/50/572372850.db2.gz FUNUNTRURGABCE-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN CCCCOCC1=CC[C@H](C=O)CC1 238222644 572373105 /nfs/dbraw/zinc/37/31/05/572373105.db2.gz PJJFQJHJDUEBTC-NSHDSACASA-N 0 0 196.290 2.729 10 30 AFEERN C=C(CCCC)[C@@H]1CCC[C@@H]1O 238221057 572373208 /nfs/dbraw/zinc/37/32/08/572373208.db2.gz FUNUNTRURGABCE-QWRGUYRKSA-N 0 0 168.280 2.894 10 30 AFEERN C=CC(=O)C[C@H](C=O)CCCCCC 238221065 572373465 /nfs/dbraw/zinc/37/34/65/572373465.db2.gz UMBVWDALMLOIGG-LLVKDONJSA-N 0 0 196.290 2.917 10 30 AFEERN C=CCCC[C@@H](O)C#CCCC 238221004 572373672 /nfs/dbraw/zinc/37/36/72/572373672.db2.gz HUISWAOEPOTKPT-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN CCCCCCCC[C@H]1CNC(=O)O1 238221213 572373817 /nfs/dbraw/zinc/37/38/17/572373817.db2.gz CCRMTVGSYLDIPM-JTQLQIEISA-N 0 0 199.294 2.845 10 30 AFEERN C#CCC(=O)C(C(C)C)C(C)C 307996714 572373829 /nfs/dbraw/zinc/37/38/29/572373829.db2.gz CLDWUXDRYPCAMT-UHFFFAOYSA-N 0 0 166.264 2.507 10 30 AFEERN CCCCCCCC[C@@H]1C=CC(=O)N1 238221484 572374036 /nfs/dbraw/zinc/37/40/36/572374036.db2.gz LKLUYZHZGFOYQA-LLVKDONJSA-N 0 0 195.306 2.792 10 30 AFEERN N#CC1(CCSC(F)(F)F)CC1 308002437 572374287 /nfs/dbraw/zinc/37/42/87/572374287.db2.gz IPDRTNUIAYOONF-UHFFFAOYSA-N 0 0 195.209 2.933 10 30 AFEERN C=CCC[C@@]1(O)CCC[C@@H]1C 307138290 572374268 /nfs/dbraw/zinc/37/42/68/572374268.db2.gz ACKTVHMJAZSZID-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC[C@@H](CCCCCC)C(=O)CO 238221471 572374679 /nfs/dbraw/zinc/37/46/79/572374679.db2.gz WQMXFXWGENNKGN-NSHDSACASA-N 0 0 198.306 2.711 10 30 AFEERN C#C/C=C/[C@@H](C)[C@H]1CCCCC1=O 307158740 572375034 /nfs/dbraw/zinc/37/50/34/572375034.db2.gz ZYOSXPXNAXXCMG-OZSGMGSPSA-N 0 0 176.259 2.571 10 30 AFEERN CCCCCC[C@@H](C=O)CC(C)=O 238221114 572375186 /nfs/dbraw/zinc/37/51/86/572375186.db2.gz RAGYCNQKRYQVHC-LLVKDONJSA-N 0 0 184.279 2.751 10 30 AFEERN C=C(C)c1ccccc1C[C@@H](C)O 141055391 572376155 /nfs/dbraw/zinc/37/61/55/572376155.db2.gz COQKOQGJXCDHAN-SNVBAGLBSA-N 0 0 176.259 2.643 10 30 AFEERN C=C(C[Si](C)(C)C)[C@H](C)[C@H](C)O 308003850 572376829 /nfs/dbraw/zinc/37/68/29/572376829.db2.gz CHMMHPONSOZKFK-UWVGGRQHSA-N 0 0 186.371 2.898 10 30 AFEERN CCC[C@H](C=O)C[C@@H](CC=O)CCC 238223795 572376429 /nfs/dbraw/zinc/37/64/29/572376429.db2.gz BCCYJTRXANSTIS-NEPJUHHUSA-N 0 0 198.306 2.997 10 30 AFEERN C=C[C@@H]1CCC(=C)[C@]1(C)CC=O 196774626 572376453 /nfs/dbraw/zinc/37/64/53/572376453.db2.gz WDQUBNKVNJSOGC-MNOVXSKESA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@@H]1CCC(=C)[C@]1(C)CCO 196774667 572376555 /nfs/dbraw/zinc/37/65/55/572376555.db2.gz NQMMDVHGTWALSO-MNOVXSKESA-N 0 0 166.264 2.527 10 30 AFEERN CC[C@H](C)C=NN1CCCCC1 308003534 572376801 /nfs/dbraw/zinc/37/68/01/572376801.db2.gz CBNDHKKOCMEWFJ-JTQLQIEISA-N 0 0 168.284 2.504 10 30 AFEERN C=CC[C@@](C)(C(=C)C)C(C)=O 141064997 572376817 /nfs/dbraw/zinc/37/68/17/572376817.db2.gz AQHGSMMVPXCSIQ-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN C=CC[C@](C)(C(=C)C)C(C)=O 141064813 572376977 /nfs/dbraw/zinc/37/69/77/572376977.db2.gz AQHGSMMVPXCSIQ-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN C=C1[C@@H](C[C@H](C)O)[C@]1(C)C(C)C 307109691 572377066 /nfs/dbraw/zinc/37/70/66/572377066.db2.gz HCLOLQDZVVOKNL-JMJZKYOTSA-N 0 0 168.280 2.606 10 30 AFEERN CCCCCC[C@H](O)C/C=C/C(C)=O 238224046 572377355 /nfs/dbraw/zinc/37/73/55/572377355.db2.gz YWQDQBHMDSTYPK-GUOLPTJISA-N 0 0 198.306 2.853 10 30 AFEERN C=C(C[Si](C)(C)C)[C@@H](C)[C@H](C)O 308003852 572377403 /nfs/dbraw/zinc/37/74/03/572377403.db2.gz CHMMHPONSOZKFK-ZJUUUORDSA-N 0 0 186.371 2.898 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@H](CO)[C@H]12 307145283 572377445 /nfs/dbraw/zinc/37/74/45/572377445.db2.gz MJWZXKCKCBBDRT-GRYCIOLGSA-N 0 0 180.291 2.751 10 30 AFEERN CC/C=C/[C@@H]1C=CC[C@@H]1CC=O 238223901 572377668 /nfs/dbraw/zinc/37/76/68/572377668.db2.gz JZQHFIYEDGZZIC-UQRCUPDISA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@@H]1CCC(=C)[C@@]1(C)CC=O 196774609 572377676 /nfs/dbraw/zinc/37/76/76/572377676.db2.gz WDQUBNKVNJSOGC-GHMZBOCLSA-N 0 0 164.248 2.734 10 30 AFEERN C=C(C)Nc1ccc(OC)cc1 196764351 572377713 /nfs/dbraw/zinc/37/77/13/572377713.db2.gz SCEGVIVWKYMWBP-UHFFFAOYSA-N 0 0 163.220 2.641 10 30 AFEERN CC#CCC[C@H](O)c1sccc1F 307120774 572377767 /nfs/dbraw/zinc/37/77/67/572377767.db2.gz IDXSZKWYJCHBPU-VIFPVBQESA-N 0 0 198.262 2.724 10 30 AFEERN C=C[C@H]1CCC(=C)[C@@]1(C)CC=O 196774638 572377814 /nfs/dbraw/zinc/37/78/14/572377814.db2.gz WDQUBNKVNJSOGC-WDEREUQCSA-N 0 0 164.248 2.734 10 30 AFEERN CC/C=C/[C@@H]1C=CC[C@H]1CC=O 238223923 572377824 /nfs/dbraw/zinc/37/78/24/572377824.db2.gz JZQHFIYEDGZZIC-YYMQPOIQSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@@H](C)Nc1cc(F)cc(OC)c1 300911897 572377916 /nfs/dbraw/zinc/37/79/16/572377916.db2.gz RSJWYQFSMBVBFC-MRVPVSSYSA-N 0 0 195.237 2.821 10 30 AFEERN C=C(C[Si](C)(C)C)[C@@H](C)[C@@H](C)O 308003849 572377928 /nfs/dbraw/zinc/37/79/28/572377928.db2.gz CHMMHPONSOZKFK-NXEZZACHSA-N 0 0 186.371 2.898 10 30 AFEERN C=C(C)[C@@H]1C=C[C@H](C)[C@H]([C@@H](C)O)C1 307146357 572378059 /nfs/dbraw/zinc/37/80/59/572378059.db2.gz NJCHRNHIVWIQTJ-IRCOFANPSA-N 0 0 180.291 2.772 10 30 AFEERN C=CC[C@H]1NC(=O)O[C@H]1CCCCC 238222361 572378175 /nfs/dbraw/zinc/37/81/75/572378175.db2.gz OJSXRVSURPQJSV-ZJUUUORDSA-N 0 0 197.278 2.620 10 30 AFEERN C#CC[C@@H](CO)CCCCCC 238222193 572378232 /nfs/dbraw/zinc/37/82/32/572378232.db2.gz UDZMYYIUASAVOC-LLVKDONJSA-N 0 0 168.280 2.589 10 30 AFEERN C=C(C)c1ccccc1C[C@H](C)O 141055575 572378490 /nfs/dbraw/zinc/37/84/90/572378490.db2.gz COQKOQGJXCDHAN-JTQLQIEISA-N 0 0 176.259 2.643 10 30 AFEERN Cc1ccc(O[C@H](C=O)C(C)C)cc1 238222346 572378534 /nfs/dbraw/zinc/37/85/34/572378534.db2.gz LDZRREZJRXGZOZ-GFCCVEGCSA-N 0 0 192.258 2.597 10 30 AFEERN CC(C)[C@@H](c1ccccc1)[C@H](F)C=O 238223950 572378567 /nfs/dbraw/zinc/37/85/67/572378567.db2.gz MRKDQSUXZCQGDC-NEPJUHHUSA-N 0 0 194.249 2.963 10 30 AFEERN CC[C@@H](C)C=NN1CCCCC1 308003535 572378827 /nfs/dbraw/zinc/37/88/27/572378827.db2.gz CBNDHKKOCMEWFJ-SNVBAGLBSA-N 0 0 168.284 2.504 10 30 AFEERN C=C1[C@H]2CC[C@@H](C)[C@]1(C)CC[C@H]2O 307142593 572378936 /nfs/dbraw/zinc/37/89/36/572378936.db2.gz KGMUSNPSCOPHGY-HKWIRBFKSA-N 0 0 180.291 2.750 10 30 AFEERN C=CC[C@H](C)[C@H](C)[C@@H](O)C(C)C 308005201 572379427 /nfs/dbraw/zinc/37/94/27/572379427.db2.gz KWLPUBPZIXNAMO-DCAQKATOSA-N 0 0 170.296 2.852 10 30 AFEERN C=C1CCC[C@H](O)[C@H]2[C@@H]1CC[C@H]2C 307185911 572379470 /nfs/dbraw/zinc/37/94/70/572379470.db2.gz SVVGHZCFSIAGEA-WISYIIOYSA-N 0 0 180.291 2.750 10 30 AFEERN C=C(CCC)C[C@H](CO)CCC#N 238223159 572379598 /nfs/dbraw/zinc/37/95/98/572379598.db2.gz FUXVDAIVLJMMCW-LLVKDONJSA-N 0 0 181.279 2.645 10 30 AFEERN CCCCCC[C@H](O)CCCC=O 238224352 572379594 /nfs/dbraw/zinc/37/95/94/572379594.db2.gz IOKPZOGAWQXXLF-NSHDSACASA-N 0 0 186.295 2.687 10 30 AFEERN CCCCC(=O)CCC(C)(C)C=O 238223058 572379821 /nfs/dbraw/zinc/37/98/21/572379821.db2.gz PYTIYTANMYRCRN-UHFFFAOYSA-N 0 0 184.279 2.751 10 30 AFEERN C=CC[C@H](C)[C@H](C)[C@H](O)C(C)C 308005203 572379903 /nfs/dbraw/zinc/37/99/03/572379903.db2.gz KWLPUBPZIXNAMO-GARJFASQSA-N 0 0 170.296 2.852 10 30 AFEERN CCC[C@@](C)(C=O)[C@](C)(C=O)CCC 238222882 572379922 /nfs/dbraw/zinc/37/99/22/572379922.db2.gz FXDKAWKRBJNHQC-RYUDHWBXSA-N 0 0 198.306 2.997 10 30 AFEERN C=CC[C@H](C)[C@@H](C)[C@H](O)C(C)C 308005205 572379984 /nfs/dbraw/zinc/37/99/84/572379984.db2.gz KWLPUBPZIXNAMO-HBNTYKKESA-N 0 0 170.296 2.852 10 30 AFEERN C=C1C[C@@H]2CCC(=O)[C@@H](C)[C@]2(C)C1 307151999 572380383 /nfs/dbraw/zinc/38/03/83/572380383.db2.gz WVMOECGLSCNRAX-SCVCMEIPSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(CC)[C@@H]1CC1(C)C 307133874 572380388 /nfs/dbraw/zinc/38/03/88/572380388.db2.gz YXRUFZZQAKLZSV-QMMMGPOBSA-N 0 0 124.227 2.999 10 30 AFEERN CON=C1CC[C@@H](CC(C)C)C1 308005473 572380429 /nfs/dbraw/zinc/38/04/29/572380429.db2.gz FZCOXYXAMRPAGK-VIFPVBQESA-N 0 0 169.268 2.835 10 30 AFEERN C=C[C@H]1[C@H](C)[C@@H](C)C(=O)C[C@H]1C 307126676 572380409 /nfs/dbraw/zinc/38/04/09/572380409.db2.gz INOPPVYNLDZUJY-ZYUZMQFOSA-N 0 0 166.264 2.670 10 30 AFEERN CC/C=C/[C@H](C)[C@H](C)CC=O 238224440 572380427 /nfs/dbraw/zinc/38/04/27/572380427.db2.gz WPAKRSLGHCBIKO-FQNVXPIYSA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C)[C@H](C=C=C(C)C)CCO 308001124 572380516 /nfs/dbraw/zinc/38/05/16/572380516.db2.gz HIZWNUYJTKPMGI-LLVKDONJSA-N 0 0 166.264 2.682 10 30 AFEERN CCCCC[C@H]1C(=O)CC[C@@H]1C#N 238223213 572380548 /nfs/dbraw/zinc/38/05/48/572380548.db2.gz GTLFLIRUJARCGS-NXEZZACHSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@](C)(C=O)[C@](C)(C=O)CCC 238222892 572382988 /nfs/dbraw/zinc/38/29/88/572382988.db2.gz FXDKAWKRBJNHQC-TXEJJXNPSA-N 0 0 198.306 2.997 10 30 AFEERN C=CCCC[C@@H](O)c1ccc(N)cc1 236339854 572380957 /nfs/dbraw/zinc/38/09/57/572380957.db2.gz CQVRGOIMMVYVMH-GFCCVEGCSA-N 0 0 191.274 2.659 10 30 AFEERN CCC(CC)N(CC#N)C1CCCC1 87157240 572381074 /nfs/dbraw/zinc/38/10/74/572381074.db2.gz LDTPEDPABSFHFB-UHFFFAOYSA-N 0 0 194.322 2.943 10 30 AFEERN C=C(C)[C@@H](C=C=C(C)C)CCO 308001125 572381337 /nfs/dbraw/zinc/38/13/37/572381337.db2.gz HIZWNUYJTKPMGI-NSHDSACASA-N 0 0 166.264 2.682 10 30 AFEERN C=CC[C@H](C)[C@@H](C)[C@@H](O)C(C)C 308005198 572381443 /nfs/dbraw/zinc/38/14/43/572381443.db2.gz KWLPUBPZIXNAMO-AXFHLTTASA-N 0 0 170.296 2.852 10 30 AFEERN C=CCCC[C@H](O)c1ccc(N)cc1 236339764 572381603 /nfs/dbraw/zinc/38/16/03/572381603.db2.gz CQVRGOIMMVYVMH-LBPRGKRZSA-N 0 0 191.274 2.659 10 30 AFEERN O=C[C@]1(c2ccccc2)C[C@H]2C=C[C@@H]1C2 238675037 572381638 /nfs/dbraw/zinc/38/16/38/572381638.db2.gz BACBJLDRLXOGAU-YUTCNCBUSA-N 0 0 198.265 2.719 10 30 AFEERN C=C(CCC)C[C@@H](CO)CCC#N 238223148 572381734 /nfs/dbraw/zinc/38/17/34/572381734.db2.gz FUXVDAIVLJMMCW-NSHDSACASA-N 0 0 181.279 2.645 10 30 AFEERN C=C[C@](C)(CCC)C(=O)C1CC1 238222786 572381990 /nfs/dbraw/zinc/38/19/90/572381990.db2.gz CZMWMZBBIZAZLM-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@H]1C=C[C@@H](O)CCCC1 238677209 572382047 /nfs/dbraw/zinc/38/20/47/572382047.db2.gz VSNSMJBZJRMZJW-QWRGUYRKSA-N 0 0 166.264 2.670 10 30 AFEERN CCCCC#C/C=C\[C@H](O)CCC 207603175 572382390 /nfs/dbraw/zinc/38/23/90/572382390.db2.gz LYBNLRLIWGUZBX-UCQJPZFISA-N 0 0 180.291 2.897 10 30 AFEERN CC/C=C/[C@H](C)[C@@H](C)CC=O 238224415 572382592 /nfs/dbraw/zinc/38/25/92/572382592.db2.gz WPAKRSLGHCBIKO-QEBMPYFUSA-N 0 0 154.253 2.814 10 30 AFEERN N#CCCSc1ccccc1C=O 238680787 572382732 /nfs/dbraw/zinc/38/27/32/572382732.db2.gz FVOBBHDXJPVTRF-UHFFFAOYSA-N 0 0 191.255 2.505 10 30 AFEERN C=CC#C[C@H](O)[C@@H](/C=C/C=C)C(C)C 238224356 572382933 /nfs/dbraw/zinc/38/29/33/572382933.db2.gz KFPRXYBXQWDUQC-VOWYIILJSA-N 0 0 190.286 2.551 10 30 AFEERN CCCCCCCNC(C)(C)C#N 238223100 572383015 /nfs/dbraw/zinc/38/30/15/572383015.db2.gz GZKZPDOXJOVEIC-UHFFFAOYSA-N 0 0 182.311 2.849 10 30 AFEERN CC[C@H](C)ON=Cc1ccsc1 308001593 572383223 /nfs/dbraw/zinc/38/32/23/572383223.db2.gz ZXDUZDWQWOPFRR-QMMMGPOBSA-N 0 0 183.276 2.897 10 30 AFEERN C=C[C@@H](C)Sc1nccn1CC 308002027 572383491 /nfs/dbraw/zinc/38/34/91/572383491.db2.gz AMOKIDFUFLJFDZ-MRVPVSSYSA-N 0 0 182.292 2.570 10 30 AFEERN CC/C=C/[C@@H](C)[C@@H](C)CC=O 238223444 572383564 /nfs/dbraw/zinc/38/35/64/572383564.db2.gz WPAKRSLGHCBIKO-ROSGPLSXSA-N 0 0 154.253 2.814 10 30 AFEERN C=CCCC(=C)CCC(=C)CO 238681237 572383575 /nfs/dbraw/zinc/38/35/75/572383575.db2.gz WKQIENCDLUQURU-UHFFFAOYSA-N 0 0 166.264 2.838 10 30 AFEERN C=C[C@@H]1CC(=O)[C@@H](C)C[C@H]1C(=C)C 307148706 572383580 /nfs/dbraw/zinc/38/35/80/572383580.db2.gz QNDGHLKBWRPPKY-AXFHLTTASA-N 0 0 178.275 2.980 10 30 AFEERN CCCCC(=O)CC[C@H](C)C#N 238223396 572383588 /nfs/dbraw/zinc/38/35/88/572383588.db2.gz ZQRPJSHUADEJLB-VIFPVBQESA-N 0 0 167.252 2.686 10 30 AFEERN CCCCCC[C@H](O)C#CC(F)F 238223717 572383683 /nfs/dbraw/zinc/38/36/83/572383683.db2.gz GPHLIMKHZNZHCT-VIFPVBQESA-N 0 0 190.233 2.586 10 30 AFEERN CCCCC[C@H](C)/C=C/C#CCO 238225913 572383694 /nfs/dbraw/zinc/38/36/94/572383694.db2.gz ORVRVJPRSUNMKN-PMDBQALLSA-N 0 0 180.291 2.755 10 30 AFEERN CC(C)[C@H]1CC(=O)C[C@@]1(C)CCC=O 238226180 572383782 /nfs/dbraw/zinc/38/37/82/572383782.db2.gz WDYZGWIZGUHEQI-VXGBXAGGSA-N 0 0 196.290 2.607 10 30 AFEERN CC[C@@H](C)ON=Cc1ccsc1 308001591 572383796 /nfs/dbraw/zinc/38/37/96/572383796.db2.gz ZXDUZDWQWOPFRR-MRVPVSSYSA-N 0 0 183.276 2.897 10 30 AFEERN C#CCCSc1ccccc1C=O 238680769 572383896 /nfs/dbraw/zinc/38/38/96/572383896.db2.gz QYMBEKYELDZUDT-UHFFFAOYSA-N 0 0 190.267 2.615 10 30 AFEERN C=C[C@H](C)SC1=N[C@H](C)CS1 307130047 572383990 /nfs/dbraw/zinc/38/39/90/572383990.db2.gz KLPIIKZQSWWSNC-RQJHMYQMSA-N 0 0 187.333 2.785 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@@H](CO)[C@H]12 307145290 572384024 /nfs/dbraw/zinc/38/40/24/572384024.db2.gz MJWZXKCKCBBDRT-SDDRHHMPSA-N 0 0 180.291 2.751 10 30 AFEERN C=CCO[C@H](C=O)CCCCCC 238225846 572384062 /nfs/dbraw/zinc/38/40/62/572384062.db2.gz WPPIIBVPAZBVID-NSHDSACASA-N 0 0 184.279 2.727 10 30 AFEERN C=CCC[C@@]1(O)CCC[C@H]1C 307138288 572384112 /nfs/dbraw/zinc/38/41/12/572384112.db2.gz ACKTVHMJAZSZID-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC[C@@H](O)C(=C)CCC 238223413 572384123 /nfs/dbraw/zinc/38/41/23/572384123.db2.gz JNUZMOVYPXFKTB-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN C#CC/C=C/[C@@H](O)CCCCCC 238225632 572384201 /nfs/dbraw/zinc/38/42/01/572384201.db2.gz VKFSFMLJTTZHHE-ZJNQMXKESA-N 0 0 180.291 2.897 10 30 AFEERN C=C[C@H](C)Sc1nccn1CC 308002031 572384334 /nfs/dbraw/zinc/38/43/34/572384334.db2.gz AMOKIDFUFLJFDZ-QMMMGPOBSA-N 0 0 182.292 2.570 10 30 AFEERN C=CCCc1ccccc1C(=C)CO 238682723 572384372 /nfs/dbraw/zinc/38/43/72/572384372.db2.gz ZKNPFKZTMDPOKB-UHFFFAOYSA-N 0 0 188.270 2.811 10 30 AFEERN C=CC(C=C)[C@@H](O)C1=CCCCC1 238678004 572384500 /nfs/dbraw/zinc/38/45/00/572384500.db2.gz VAMKGYQXZVABEH-GFCCVEGCSA-N 0 0 178.275 2.836 10 30 AFEERN CCCCC[C@H]1C(=O)CC[C@H]1C#N 238223430 572384572 /nfs/dbraw/zinc/38/45/72/572384572.db2.gz GTLFLIRUJARCGS-VHSXEESVSA-N 0 0 179.263 2.686 10 30 AFEERN C=C1CCCC12CCC2 307124515 572386471 /nfs/dbraw/zinc/38/64/71/572386471.db2.gz YRPULDYFWXJQQE-UHFFFAOYSA-N 0 0 122.211 2.897 10 30 AFEERN C=CCc1noc(C(F)=C(C)C)n1 307193921 572384607 /nfs/dbraw/zinc/38/46/07/572384607.db2.gz OLMPLMXOCAIGLK-UHFFFAOYSA-N 0 0 182.198 2.519 10 30 AFEERN CCCCCC[C@@H](C=O)SC 238225918 572384645 /nfs/dbraw/zinc/38/46/45/572384645.db2.gz DLAPCIKUQBYPMS-VIFPVBQESA-N 0 0 174.309 2.887 10 30 AFEERN C=C(C[Si](C)(C)C)C1=C[C@H](O)CC1 307134775 572384765 /nfs/dbraw/zinc/38/47/65/572384765.db2.gz AILVQLOPNCTGDQ-LLVKDONJSA-N 0 0 196.366 2.962 10 30 AFEERN C=CCC[C@H](O)C(=C)CCC 238223276 572384772 /nfs/dbraw/zinc/38/47/72/572384772.db2.gz JNUZMOVYPXFKTB-JTQLQIEISA-N 0 0 154.253 2.670 10 30 AFEERN C=C(C)[C@@H]1C=C[C@H](C)[C@@H]([C@H](C)O)C1 307146369 572385001 /nfs/dbraw/zinc/38/50/01/572385001.db2.gz NJCHRNHIVWIQTJ-YFKTTZPYSA-N 0 0 180.291 2.772 10 30 AFEERN CCC[C@](C)(C=O)COCC(C)C 238225961 572385046 /nfs/dbraw/zinc/38/50/46/572385046.db2.gz WYNUZTDPCCMFMG-LLVKDONJSA-N 0 0 186.295 2.664 10 30 AFEERN CC#C[C@@H](O)c1cccc(C2CC2)c1 307179206 572385107 /nfs/dbraw/zinc/38/51/07/572385107.db2.gz KBGFQVNOJHNBJT-CYBMUJFWSA-N 0 0 186.254 2.621 10 30 AFEERN CCCCC(=O)CC[C@@H](C)C#N 238223338 572385138 /nfs/dbraw/zinc/38/51/38/572385138.db2.gz ZQRPJSHUADEJLB-SECBINFHSA-N 0 0 167.252 2.686 10 30 AFEERN CCCCCCCO[C@@H](C)CCO 238225249 572385162 /nfs/dbraw/zinc/38/51/62/572385162.db2.gz HRWCBPZPTTYOOW-NSHDSACASA-N 0 0 188.311 2.744 10 30 AFEERN C=C(C)[C@@]12CCC(=O)[C@@H]1[C@H]2CC 307120152 572387134 /nfs/dbraw/zinc/38/71/34/572387134.db2.gz HBTYASLVQAZNGS-DVVUODLYSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@H]1C[C@H](c2ccccc2)C[C@H]1O 307180156 572385274 /nfs/dbraw/zinc/38/52/74/572385274.db2.gz JJNDYMAVDBLYRJ-KGYLQXTDSA-N 0 0 188.270 2.727 10 30 AFEERN C=C=C(CCC)C(=O)CCC 238226083 572385515 /nfs/dbraw/zinc/38/55/15/572385515.db2.gz PAOFXMAIEVXVLE-UHFFFAOYSA-N 0 0 152.237 2.867 10 30 AFEERN CC(C)[C@H]([C@H](C)C=O)n1cccc1 238223699 572385604 /nfs/dbraw/zinc/38/56/04/572385604.db2.gz FHYNEJKEYBYIPT-GHMZBOCLSA-N 0 0 179.263 2.520 10 30 AFEERN CC(C)[C@@H](c1ccccc1)[C@@H](F)C=O 238223303 572385647 /nfs/dbraw/zinc/38/56/47/572385647.db2.gz MRKDQSUXZCQGDC-RYUDHWBXSA-N 0 0 194.249 2.963 10 30 AFEERN [N-]=[N+]=Nc1cc(C=O)nc2ccccc12 238687176 572385968 /nfs/dbraw/zinc/38/59/68/572385968.db2.gz YCXQSWSFQVYJMV-UHFFFAOYSA-N 0 0 198.185 2.989 10 30 AFEERN CCC[C@H](CC=O)C[C@H](C=O)CCC 238223765 572386271 /nfs/dbraw/zinc/38/62/71/572386271.db2.gz BCCYJTRXANSTIS-VXGBXAGGSA-N 0 0 198.306 2.997 10 30 AFEERN C#C[C@H](O)[C@H](/C(C)=C/C(=C)C)C(C)C 238223393 572386449 /nfs/dbraw/zinc/38/64/49/572386449.db2.gz HIZRUZFASRSKHN-DPGNGVPNSA-N 0 0 192.302 2.775 10 30 AFEERN C=CC(C=C)[C@H](O)C1CCCCC1 238686552 572386656 /nfs/dbraw/zinc/38/66/56/572386656.db2.gz HYSCLWLEVBVOAR-LBPRGKRZSA-N 0 0 180.291 2.916 10 30 AFEERN C=C[C@@H](C)SC1=N[C@H](C)CS1 307130046 572387196 /nfs/dbraw/zinc/38/71/96/572387196.db2.gz KLPIIKZQSWWSNC-RNFRBKRXSA-N 0 0 187.333 2.785 10 30 AFEERN C=CC[C@@H]1CC[C@@H]2C[C@@]1(CO)CC2=C 307122569 572387016 /nfs/dbraw/zinc/38/70/16/572387016.db2.gz WBEFYZQJOUQVEJ-JHJVBQTASA-N 0 0 192.302 2.917 10 30 AFEERN C=CCCC[C@H](O)c1cccc(N)c1 236343421 572387095 /nfs/dbraw/zinc/38/70/95/572387095.db2.gz NVNMQULDHCEXGL-LBPRGKRZSA-N 0 0 191.274 2.659 10 30 AFEERN CC(C)[C@H]1CC(=O)C[C@]1(C)CCC=O 238226221 572387113 /nfs/dbraw/zinc/38/71/13/572387113.db2.gz WDYZGWIZGUHEQI-NEPJUHHUSA-N 0 0 196.290 2.607 10 30 AFEERN CCCC(=O)C1=C(O)CCCC1 238226388 572387948 /nfs/dbraw/zinc/38/79/48/572387948.db2.gz YJZNBZCQPSHVOG-UHFFFAOYSA-N 0 0 168.236 2.742 10 30 AFEERN C#CC[C@@H](O)C1(CCC=C)CCC1 238693063 572387976 /nfs/dbraw/zinc/38/79/76/572387976.db2.gz KTBZMCPWYCXHQL-LLVKDONJSA-N 0 0 178.275 2.507 10 30 AFEERN CC1=CC(=NO)CC(C)(C)C1 263613500 572387986 /nfs/dbraw/zinc/38/79/86/572387986.db2.gz ZJOPWRYFFJYLHJ-UHFFFAOYSA-N 0 0 153.225 2.583 10 30 AFEERN C#CCc1c(C=O)ccc2ccccc12 238692861 572388169 /nfs/dbraw/zinc/38/81/69/572388169.db2.gz GLGOJUOZRZIKFN-UHFFFAOYSA-N 0 0 194.233 2.828 10 30 AFEERN C=C/C=C/C/C=C/C[C@H](O)C=C 238692436 572388216 /nfs/dbraw/zinc/38/82/16/572388216.db2.gz AEYMOAMEIABNJU-ZYZIIRIYSA-N 0 0 164.248 2.612 10 30 AFEERN CCCCN/C(CC#N)=C(\C)CC 238224706 572388654 /nfs/dbraw/zinc/38/86/54/572388654.db2.gz MIYDAKZZULKCLS-ZHACJKMWSA-N 0 0 180.295 2.974 10 30 AFEERN C=CCCC[C@@H](O)c1cccc(N)c1 236343577 572388779 /nfs/dbraw/zinc/38/87/79/572388779.db2.gz NVNMQULDHCEXGL-GFCCVEGCSA-N 0 0 191.274 2.659 10 30 AFEERN C=CCCC[C@@H](O)C#CC1=CCCC1 238700943 572388816 /nfs/dbraw/zinc/38/88/16/572388816.db2.gz ALDMYWKKBHAJAI-CYBMUJFWSA-N 0 0 190.286 2.817 10 30 AFEERN C=C1C[C@]23CCC[C@@]2(C)C[C@H](O)[C@]13C 307140914 572388856 /nfs/dbraw/zinc/38/88/56/572388856.db2.gz BGSDWTPRFGRDKZ-ZDEQEGDKSA-N 0 0 192.302 2.894 10 30 AFEERN C=C1[C@H]2CC[C@@H](C)[C@]1(C)CC[C@@H]2O 307142594 572388884 /nfs/dbraw/zinc/38/88/84/572388884.db2.gz KGMUSNPSCOPHGY-YJQGPUDQSA-N 0 0 180.291 2.750 10 30 AFEERN CCCCCC[C@H]1CCC[C@H](C=O)[NH2+]1 238226462 572388986 /nfs/dbraw/zinc/38/89/86/572388986.db2.gz RAAYUGDDIFQGJX-NWDGAFQWSA-N 0 0 197.322 2.666 10 30 AFEERN C=C[C@H](O)CCC=C1CCCC1 238700355 572389035 /nfs/dbraw/zinc/38/90/35/572389035.db2.gz QFUVXFGWSWEDTK-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@@H](CO)C(=C)c1ccccc1 238701393 572389362 /nfs/dbraw/zinc/38/93/62/572389362.db2.gz FXMGKTXQULOEAB-ZDUSSCGKSA-N 0 0 188.270 2.884 10 30 AFEERN C=CCCC=C=C[C@H](CO)CC=C 238701429 572389453 /nfs/dbraw/zinc/38/94/53/572389453.db2.gz MTBHHVDFEQGAOF-LESKNEHBSA-N 0 0 178.275 2.849 10 30 AFEERN C#CCC[C@]1(O)CCCC12CCCC2 307197622 572389558 /nfs/dbraw/zinc/38/95/58/572389558.db2.gz WKTGKANXZSQTCM-ZDUSSCGKSA-N 0 0 192.302 2.875 10 30 AFEERN C=C[C@H](C1CC1)[C@H](O)c1ccccc1 238700902 572389563 /nfs/dbraw/zinc/38/95/63/572389563.db2.gz BZBYSEBEXHZYFO-CHWSQXEVSA-N 0 0 188.270 2.932 10 30 AFEERN C=C1C[C@@H]2C[C@H]3CC[C@H](O)[C@@]3(C)[C@@H]2C1 307110304 572389578 /nfs/dbraw/zinc/38/95/78/572389578.db2.gz HPHPNBDPXHYTDZ-NJMOYASZSA-N 0 0 192.302 2.750 10 30 AFEERN C=CCC[C@@H](O)[C@@H]1C=CCCC1 238700243 572389647 /nfs/dbraw/zinc/38/96/47/572389647.db2.gz HYZNJACXMYSWJR-GHMZBOCLSA-N 0 0 166.264 2.670 10 30 AFEERN C#Cc1ccccc1[C@H](O)CCC=C 238700325 572389740 /nfs/dbraw/zinc/38/97/40/572389740.db2.gz RORIFOJIJXHJEJ-CYBMUJFWSA-N 0 0 186.254 2.668 10 30 AFEERN C=C(OCCC)[C@@H](O)/C(=C/C)CC 238226605 572389849 /nfs/dbraw/zinc/38/98/49/572389849.db2.gz BWBICNNJZKHSRD-CDCCAWJDSA-N 0 0 184.279 2.644 10 30 AFEERN C=CCCC[C@@H](O)CCC=C 238701008 572389883 /nfs/dbraw/zinc/38/98/83/572389883.db2.gz KVRBFEKCGWXTSA-JTQLQIEISA-N 0 0 154.253 2.670 10 30 AFEERN C=CCCC[C@@H](O)CCCC(=O)C=C 238701019 572390127 /nfs/dbraw/zinc/39/01/27/572390127.db2.gz UDUPQVXOHMGORM-GFCCVEGCSA-N 0 0 196.290 2.629 10 30 AFEERN C=C(F)C[C@@H](CO)Cc1ccccc1 238701139 572390137 /nfs/dbraw/zinc/39/01/37/572390137.db2.gz VCPTVMVTNBYLQM-GFCCVEGCSA-N 0 0 194.249 2.711 10 30 AFEERN C#CC1=C([C@@H](O)c2ccccc2)CCC1 238685108 572390142 /nfs/dbraw/zinc/39/01/42/572390142.db2.gz AKXZWKYEVFIJMH-AWEZNQCLSA-N 0 0 198.265 2.834 10 30 AFEERN CCCCCC[C@H]1OCC[C@@H]1C=O 238228064 572390741 /nfs/dbraw/zinc/39/07/41/572390741.db2.gz UCIMUOXDCYEHLL-GHMZBOCLSA-N 0 0 184.279 2.561 10 30 AFEERN C=C[C@](C)(CO)CCSC(C)C 308006920 572390759 /nfs/dbraw/zinc/39/07/59/572390759.db2.gz MQJZBHUREYPQFZ-JTQLQIEISA-N 0 0 188.336 2.703 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@H](CO)[C@@H]12 307145286 572390954 /nfs/dbraw/zinc/39/09/54/572390954.db2.gz MJWZXKCKCBBDRT-IJLUTSLNSA-N 0 0 180.291 2.751 10 30 AFEERN C=CCC[C@](C)(CO)C(=O)CCCC 238227679 572391696 /nfs/dbraw/zinc/39/16/96/572391696.db2.gz CSQFULBVUXRHMP-GFCCVEGCSA-N 0 0 198.306 2.711 10 30 AFEERN C=C(C)/C=C/[C@@H](CC=O)C(C)C 238227609 572391914 /nfs/dbraw/zinc/39/19/14/572391914.db2.gz XCYIUXXGVOXMHZ-QRGHLMKCSA-N 0 0 166.264 2.980 10 30 AFEERN CCCCCCC[C@@H](O)C#COCC 238229886 572391987 /nfs/dbraw/zinc/39/19/87/572391987.db2.gz SAYUZJNFSXASJJ-GFCCVEGCSA-N 0 0 198.306 2.705 10 30 AFEERN CCCCCC[C@H]1C[C@H]1C#CCO 238227347 572392102 /nfs/dbraw/zinc/39/21/02/572392102.db2.gz ZWHNOUVEPGCPNU-NWDGAFQWSA-N 0 0 180.291 2.589 10 30 AFEERN C=C[C@@](C)(CO)CCSC(C)C 308006922 572392260 /nfs/dbraw/zinc/39/22/60/572392260.db2.gz MQJZBHUREYPQFZ-SNVBAGLBSA-N 0 0 188.336 2.703 10 30 AFEERN CCC(CC)COCC(C)(C)C=O 238228562 572392283 /nfs/dbraw/zinc/39/22/83/572392283.db2.gz SPZIKHBWRTXYLN-UHFFFAOYSA-N 0 0 186.295 2.664 10 30 AFEERN C#C[C@@H](CCCCC=O)C(C)C 238228246 572392457 /nfs/dbraw/zinc/39/24/57/572392457.db2.gz VEUVYVURSFPWNH-NSHDSACASA-N 0 0 166.264 2.651 10 30 AFEERN CCCCCC[C@H]1OCC[C@H]1C=O 238228139 572392700 /nfs/dbraw/zinc/39/27/00/572392700.db2.gz UCIMUOXDCYEHLL-WDEREUQCSA-N 0 0 184.279 2.561 10 30 AFEERN CCCCCC[C@H]1C[C@@H]1C#CCO 238227087 572392882 /nfs/dbraw/zinc/39/28/82/572392882.db2.gz ZWHNOUVEPGCPNU-RYUDHWBXSA-N 0 0 180.291 2.589 10 30 AFEERN C#CCCSCCC1CC1 307126317 572392886 /nfs/dbraw/zinc/39/28/86/572392886.db2.gz CRCXBUPWINDYOI-UHFFFAOYSA-N 0 0 154.278 2.543 10 30 AFEERN C=C(C)CNN=CC(C)(C)CC 308006659 572393207 /nfs/dbraw/zinc/39/32/07/572393207.db2.gz DLQPBCIIRZMLAS-UHFFFAOYSA-N 0 0 168.284 2.574 10 30 AFEERN C=C(C)[C@@H](CCCO)C(C)C 238228486 572393286 /nfs/dbraw/zinc/39/32/86/572393286.db2.gz ABSUKMBIDGGSFT-SNVBAGLBSA-N 0 0 156.269 2.607 10 30 AFEERN C=CCCC[C@@H](CO)CCC 238229899 572393530 /nfs/dbraw/zinc/39/35/30/572393530.db2.gz FEIHNVWQEKXNGH-JTQLQIEISA-N 0 0 156.269 2.751 10 30 AFEERN CCC[C@@](C)(O)C#Cc1ccccc1 307110451 572393790 /nfs/dbraw/zinc/39/37/90/572393790.db2.gz LRJIVVZGGAHTRM-CYBMUJFWSA-N 0 0 188.270 2.589 10 30 AFEERN C=C[C@](O)(CCC(C)C)C1CC1 308007367 572393848 /nfs/dbraw/zinc/39/38/48/572393848.db2.gz NGCWHKAZFBZWEW-NSHDSACASA-N 0 0 168.280 2.750 10 30 AFEERN CCC(=NOCC(C)C)C1CC1 308008320 572393960 /nfs/dbraw/zinc/39/39/60/572393960.db2.gz DZWAZDUYJFMEKX-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN C=CCCC(=O)[C@@H]1CC[C@H](C)C1 83785015 572393993 /nfs/dbraw/zinc/39/39/93/572393993.db2.gz KJXDZRNKMYXOJT-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H](C)C=NOC1CCCC1 308006721 572394035 /nfs/dbraw/zinc/39/40/35/572394035.db2.gz DMIQBQTWMMDUQF-SECBINFHSA-N 0 0 169.268 2.978 10 30 AFEERN C=C[C@@](O)(CCC(C)C)C1CC1 308007365 572394546 /nfs/dbraw/zinc/39/45/46/572394546.db2.gz NGCWHKAZFBZWEW-LLVKDONJSA-N 0 0 168.280 2.750 10 30 AFEERN C=CCNc1ccc(C(F)F)cn1 307131986 572394551 /nfs/dbraw/zinc/39/45/51/572394551.db2.gz UWVPAMAJYKOBHU-UHFFFAOYSA-N 0 0 184.189 2.617 10 30 AFEERN CC#CCC[C@](C)(O)c1ccsc1 307154166 572394585 /nfs/dbraw/zinc/39/45/85/572394585.db2.gz KJAOIJZCQKLVGC-NSHDSACASA-N 0 0 194.299 2.759 10 30 AFEERN C=CCSc1coc(C)c1 307296159 572394601 /nfs/dbraw/zinc/39/46/01/572394601.db2.gz QFWCROAXBYLVID-UHFFFAOYSA-N 0 0 154.234 2.866 10 30 AFEERN CCCCCC[C@@](C)(C#CC=O)OC 238229484 572395055 /nfs/dbraw/zinc/39/50/55/572395055.db2.gz XCNDXURMSDPMLT-LBPRGKRZSA-N 0 0 196.290 2.564 10 30 AFEERN CCC[C@@H](C#C[Si](C)(C)C)CCO 238226815 572395138 /nfs/dbraw/zinc/39/51/38/572395138.db2.gz ZMSNIEPJZNIDJH-LLVKDONJSA-N 0 0 198.382 2.666 10 30 AFEERN C=CCC[C@@](C)(CO)C(=O)CCCC 238229074 572395300 /nfs/dbraw/zinc/39/53/00/572395300.db2.gz CSQFULBVUXRHMP-LBPRGKRZSA-N 0 0 198.306 2.711 10 30 AFEERN C=CCCC(=O)[C@H]1CC[C@H](C)C1 83785011 572395378 /nfs/dbraw/zinc/39/53/78/572395378.db2.gz KJXDZRNKMYXOJT-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@H](CC=C(C)C)CCO 308008705 572395432 /nfs/dbraw/zinc/39/54/32/572395432.db2.gz NWWXQBUTIQSIIA-LLVKDONJSA-N 0 0 168.280 2.917 10 30 AFEERN C=CCC[C@H](C)N(C)CC(F)F 308009435 572395813 /nfs/dbraw/zinc/39/58/13/572395813.db2.gz FLUQKVVGJRQDCU-QMMMGPOBSA-N 0 0 177.238 2.538 10 30 AFEERN C=C1C[C@@H](O)c2cc3ccccc3nc21 238708368 572396307 /nfs/dbraw/zinc/39/63/07/572396307.db2.gz BAGVGCODVJHXAE-GFCCVEGCSA-N 0 0 197.237 2.685 10 30 AFEERN C=CCCC(=O)[C@H]1CC[C@@H](C)C1 83785009 572396551 /nfs/dbraw/zinc/39/65/51/572396551.db2.gz KJXDZRNKMYXOJT-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H]1C[C@]2(C)CC(=O)C[C@]12C 307179983 572396712 /nfs/dbraw/zinc/39/67/12/572396712.db2.gz JAYJQQCZMDUHBA-JMJZKYOTSA-N 0 0 164.248 2.568 10 30 AFEERN C=CCC[C@@H](C)N(C)CC(F)F 308009430 572396922 /nfs/dbraw/zinc/39/69/22/572396922.db2.gz FLUQKVVGJRQDCU-MRVPVSSYSA-N 0 0 177.238 2.538 10 30 AFEERN C=CCCC(=O)[C@@H]1CC[C@@H](C)C1 83785013 572396971 /nfs/dbraw/zinc/39/69/71/572396971.db2.gz KJXDZRNKMYXOJT-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@@H](CC=C(C)C)CCO 308008709 572396972 /nfs/dbraw/zinc/39/69/72/572396972.db2.gz NWWXQBUTIQSIIA-NSHDSACASA-N 0 0 168.280 2.917 10 30 AFEERN C=C(C)[C@@H](O)CC(CC)CC 238229010 572397087 /nfs/dbraw/zinc/39/70/87/572397087.db2.gz JFCMZFYFLQUOFG-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN C=CCc1noc(-c2ccsc2)n1 307165019 572397139 /nfs/dbraw/zinc/39/71/39/572397139.db2.gz MSDWDGGQPFEBSS-UHFFFAOYSA-N 0 0 192.243 2.527 10 30 AFEERN C=C(C)[C@H](O)CC(CC)CC 238228765 572397667 /nfs/dbraw/zinc/39/76/67/572397667.db2.gz JFCMZFYFLQUOFG-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)[C@@H](O)[C@H](C)CC(C)C 300903823 572397760 /nfs/dbraw/zinc/39/77/60/572397760.db2.gz LFWGQKDGIFTXJD-NXEZZACHSA-N 0 0 156.269 2.606 10 30 AFEERN CCC(=O)[C@@]1(C)CCCC[C@H]1CC=O 238229007 572398007 /nfs/dbraw/zinc/39/80/07/572398007.db2.gz YPGIXFKHTRBOBQ-JQWIXIFHSA-N 0 0 196.290 2.751 10 30 AFEERN C=CC[C@H](CO)CCC(=C)Cl 238701788 572398094 /nfs/dbraw/zinc/39/80/94/572398094.db2.gz VLJXYLZTLJUAAA-VIFPVBQESA-N 0 0 174.671 2.704 10 30 AFEERN C=C[C@H](CO)CCCc1ccccc1 238702012 572398213 /nfs/dbraw/zinc/39/82/13/572398213.db2.gz OZVHFOGGCIYPHS-LBPRGKRZSA-N 0 0 190.286 2.804 10 30 AFEERN C=CCC[C@@H](CO)Cc1ccccc1 238701888 572398274 /nfs/dbraw/zinc/39/82/74/572398274.db2.gz XNGYBMNFZKHUTG-CYBMUJFWSA-N 0 0 190.286 2.804 10 30 AFEERN C=CCCCCC[C@@H](O)C#CC1CC1 238701618 572398293 /nfs/dbraw/zinc/39/82/93/572398293.db2.gz ZXRVUTIKQMEABT-CYBMUJFWSA-N 0 0 192.302 2.897 10 30 AFEERN C=C[C@H](O)CCCCc1ccco1 238702081 572398442 /nfs/dbraw/zinc/39/84/42/572398442.db2.gz XEAWKPJUQLHBSW-JTQLQIEISA-N 0 0 180.247 2.539 10 30 AFEERN C=C(C)C(O)(C1CCC1)C1CCC1 307137396 572398491 /nfs/dbraw/zinc/39/84/91/572398491.db2.gz XDEPJCPFEXAGIW-UHFFFAOYSA-N 0 0 180.291 2.894 10 30 AFEERN C=CCC[C@@H](CO)CC(=C)Cl 238701871 572398715 /nfs/dbraw/zinc/39/87/15/572398715.db2.gz FFDGSEJFDJSWKR-SECBINFHSA-N 0 0 174.671 2.704 10 30 AFEERN CCCCCCC[C@H]1C=C[C@@H](O)O1 238231605 572398812 /nfs/dbraw/zinc/39/88/12/572398812.db2.gz PGKHDHCPBGMBJQ-QWRGUYRKSA-N 0 0 184.279 2.620 10 30 AFEERN C#C[C@H](CCCCC)CC(C)=O 238231303 572398857 /nfs/dbraw/zinc/39/88/57/572398857.db2.gz LLVMKFDXIRCWRS-LLVKDONJSA-N 0 0 166.264 2.795 10 30 AFEERN C=CC[C@@H]1C(=C)[C@@H](O)CCC1(C)C 307262842 572399313 /nfs/dbraw/zinc/39/93/13/572399313.db2.gz UDAMBFKXSMEJJF-MNOVXSKESA-N 0 0 180.291 2.916 10 30 AFEERN CC#C[C@H](O)c1cccc(C(F)F)c1 307232640 572399347 /nfs/dbraw/zinc/39/93/47/572399347.db2.gz CRFNCWYPCQQELN-JTQLQIEISA-N 0 0 196.196 2.681 10 30 AFEERN CCC(Cc1ccc(C)cc1)=NO 308013170 572399746 /nfs/dbraw/zinc/39/97/46/572399746.db2.gz MIGILASYZVVFKI-UHFFFAOYSA-N 0 0 177.247 2.778 10 30 AFEERN C#CCCNc1ccc(CC)c(F)c1 307272494 572399761 /nfs/dbraw/zinc/39/97/61/572399761.db2.gz JHXAQKGXHIRGCD-UHFFFAOYSA-N 0 0 191.249 2.823 10 30 AFEERN CCCN(CCC)[C@](C)(C#N)CC 308014838 572399982 /nfs/dbraw/zinc/39/99/82/572399982.db2.gz FSLSHIPWAUJGOR-NSHDSACASA-N 0 0 182.311 2.801 10 30 AFEERN CC(C)[C@H]1CCCC=CC(=O)C1 238229932 572400368 /nfs/dbraw/zinc/40/03/68/572400368.db2.gz UVKPCNGOVRZCBJ-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=CC/C=C\Cc1ccccc1N 308013443 572400410 /nfs/dbraw/zinc/40/04/10/572400410.db2.gz JHVDVBPDHYADEX-PLNGDYQASA-N 0 0 173.259 2.944 10 30 AFEERN C=C(C(C)C)[C@@H](O)CCCC 238231635 572400773 /nfs/dbraw/zinc/40/07/73/572400773.db2.gz SFJSLIIHUCTKND-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN CCC(=O)[C@H](C)[C@@H]1CCCC[C@@H]1C=O 238231493 572400802 /nfs/dbraw/zinc/40/08/02/572400802.db2.gz JONZSCWXSVBRHT-MXWKQRLJSA-N 0 0 196.290 2.607 10 30 AFEERN CCCCCCC[C@@H]1NC(=O)C1(C)C 238231280 572401478 /nfs/dbraw/zinc/40/14/78/572401478.db2.gz SXDURLPVLBALOU-JTQLQIEISA-N 0 0 197.322 2.872 10 30 AFEERN CCCCCCC[C@H]1C=C[C@H](O)O1 238231526 572401489 /nfs/dbraw/zinc/40/14/89/572401489.db2.gz PGKHDHCPBGMBJQ-WDEREUQCSA-N 0 0 184.279 2.620 10 30 AFEERN CCC(=O)[C@H](C)[C@H]1CCCC[C@@H]1C=O 238231784 572401265 /nfs/dbraw/zinc/40/12/65/572401265.db2.gz JONZSCWXSVBRHT-GMTAPVOTSA-N 0 0 196.290 2.607 10 30 AFEERN C=C1C[C@@]23C=CCC[C@H]2[C@H](O)C[C@@H]1C3 307280543 572401274 /nfs/dbraw/zinc/40/12/74/572401274.db2.gz ZGDKQAWLAQBNAB-YVECIDJPSA-N 0 0 190.286 2.670 10 30 AFEERN C#CCCCCC#C[C@@H](O)CCCC 238231335 572401529 /nfs/dbraw/zinc/40/15/29/572401529.db2.gz GLWZETVXZVVSSB-ZDUSSCGKSA-N 0 0 192.302 2.735 10 30 AFEERN C#CC[C@H](O)[C@H](CCC)CC(C)C 308013594 572401609 /nfs/dbraw/zinc/40/16/09/572401609.db2.gz DIGCKSLSZXWEGY-NEPJUHHUSA-N 0 0 182.307 2.833 10 30 AFEERN CCCCC[C@H](C=O)[C@H](C)C(C)=O 238231115 572401631 /nfs/dbraw/zinc/40/16/31/572401631.db2.gz YXFVFTIVNSSQLV-MWLCHTKSSA-N 0 0 184.279 2.607 10 30 AFEERN C#CC[C@@H](O)[C@H](CCC)CC(C)C 308013598 572401643 /nfs/dbraw/zinc/40/16/43/572401643.db2.gz DIGCKSLSZXWEGY-VXGBXAGGSA-N 0 0 182.307 2.833 10 30 AFEERN C=CCC(=O)C(C1CC1)C1CC1 308014930 572401866 /nfs/dbraw/zinc/40/18/66/572401866.db2.gz RBTKTMUBWJRDDD-UHFFFAOYSA-N 0 0 164.248 2.568 10 30 AFEERN C#CC[C@@H](O)[C@@H](CCC)CC(C)C 308013596 572403140 /nfs/dbraw/zinc/40/31/40/572403140.db2.gz DIGCKSLSZXWEGY-NWDGAFQWSA-N 0 0 182.307 2.833 10 30 AFEERN C#CC[C@H](O)[C@@H](CCC)CC(C)C 308013597 572403143 /nfs/dbraw/zinc/40/31/43/572403143.db2.gz DIGCKSLSZXWEGY-RYUDHWBXSA-N 0 0 182.307 2.833 10 30 AFEERN CC(C)Oc1cccc(CC#N)c1 44368353 572406411 /nfs/dbraw/zinc/40/64/11/572406411.db2.gz WXYWVXDDRVOIBH-UHFFFAOYSA-N 0 0 175.231 2.540 10 30 AFEERN CC(=O)C(Cl)=CNc1ccccc1 308013024 572403201 /nfs/dbraw/zinc/40/32/01/572403201.db2.gz LPSHGSBNOYFAMH-JXMROGBWSA-N 0 0 195.649 2.768 10 30 AFEERN C=C[C@@H](O)/C(F)=C(/F)CCCC 238234052 572403709 /nfs/dbraw/zinc/40/37/09/572403709.db2.gz MIBLJPNIURYMNH-XZZQCUQZSA-N 0 0 176.206 2.874 10 30 AFEERN CCCCCCCC[C@@H](O)C(C)=O 117100560 572403900 /nfs/dbraw/zinc/40/39/00/572403900.db2.gz SDNGVORIGICIQX-LLVKDONJSA-N 0 0 186.295 2.687 10 30 AFEERN CCCCC/C=C/[C@@H](C)C=O 117097566 572404058 /nfs/dbraw/zinc/40/40/58/572404058.db2.gz GAZZBKFJKSQCBH-QROSGCPLSA-N 0 0 154.253 2.958 10 30 AFEERN CC(C)(C#N)CCC[C@@H]1CCCO1 83775615 572404088 /nfs/dbraw/zinc/40/40/88/572404088.db2.gz KLXGAUUAKWRVJM-SNVBAGLBSA-N 0 0 181.279 2.885 10 30 AFEERN C=C[C@@H](O)C1(C)CCCCCC1 307264293 572404097 /nfs/dbraw/zinc/40/40/97/572404097.db2.gz FIHOFSNPRZUFCU-SNVBAGLBSA-N 0 0 168.280 2.894 10 30 AFEERN C#CCC[C@H](O)C1CCC(CC)CC1 83778263 572404138 /nfs/dbraw/zinc/40/41/38/572404138.db2.gz DYWJVRKQSZJERG-BPCQOVAHSA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)OCCC1(C#N)CCCC1 83775675 572404182 /nfs/dbraw/zinc/40/41/82/572404182.db2.gz QMDMGQVBQPERAE-UHFFFAOYSA-N 0 0 181.279 2.885 10 30 AFEERN CC#C[C@@H]1C=CC[C@@H]1[C@H](O)/C=C/CC 307267833 572404279 /nfs/dbraw/zinc/40/42/79/572404279.db2.gz FIIZEUXGXZNTFP-AQEQDMNSSA-N 0 0 190.286 2.529 10 30 AFEERN Cc1c[nH]c2ccc(CC#N)cc12 44370953 572404320 /nfs/dbraw/zinc/40/43/20/572404320.db2.gz QLVINOQXKOOYRZ-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN CCOCCC[C@@](C)(C#N)CC 83775777 572404369 /nfs/dbraw/zinc/40/43/69/572404369.db2.gz JYVKEYQVMJZHCL-JTQLQIEISA-N 0 0 169.268 2.743 10 30 AFEERN CC(C)Oc1ccc(F)cc1CC#N 44369007 572404464 /nfs/dbraw/zinc/40/44/64/572404464.db2.gz AQGKKXQGZKGFMR-UHFFFAOYSA-N 0 0 193.221 2.679 10 30 AFEERN CCOCCC[C@](C)(C#N)CC 83775778 572404512 /nfs/dbraw/zinc/40/45/12/572404512.db2.gz JYVKEYQVMJZHCL-SNVBAGLBSA-N 0 0 169.268 2.743 10 30 AFEERN C=C[C@](O)(CC)c1ccsc1 307221638 572404533 /nfs/dbraw/zinc/40/45/33/572404533.db2.gz PYGBRNJBBPRGOH-VIFPVBQESA-N 0 0 168.261 2.532 10 30 AFEERN CCC[C@@H](C)C[C@]1(C#N)CCOC1 83776472 572404696 /nfs/dbraw/zinc/40/46/96/572404696.db2.gz ZYZSBGQOLXRJQF-MNOVXSKESA-N 0 0 181.279 2.743 10 30 AFEERN COCCCC1(C#N)CCCCC1 83775515 572404731 /nfs/dbraw/zinc/40/47/31/572404731.db2.gz VWLXAPMPOYZZCF-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN CC[C@@](C)(C#N)CC[C@@H]1CCCO1 83775936 572404740 /nfs/dbraw/zinc/40/47/40/572404740.db2.gz OKXSLOBHOYNKBE-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN COCCC[C@@]1(C#N)CC[C@@H](C)C1 83782173 572409748 /nfs/dbraw/zinc/40/97/48/572409748.db2.gz QWXLAGRFAGXUJA-GHMZBOCLSA-N 0 0 181.279 2.743 10 30 AFEERN CCCCCCn1cc(C#N)cc1N 238233748 572404995 /nfs/dbraw/zinc/40/49/95/572404995.db2.gz XHJVAHWKDBTMSI-UHFFFAOYSA-N 0 0 191.278 2.522 10 30 AFEERN CCCCC[C@@](C)(C#N)C(C)=O 83776779 572404996 /nfs/dbraw/zinc/40/49/96/572404996.db2.gz ZUGKVVLUQNXBIV-JTQLQIEISA-N 0 0 167.252 2.686 10 30 AFEERN CCOCCCC1(C#N)CCCC1 83775648 572405000 /nfs/dbraw/zinc/40/50/00/572405000.db2.gz BOWNTWHLZUBJKY-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN CC[C@H](C)C[C@](C)(C#N)C(C)=O 83776910 572405112 /nfs/dbraw/zinc/40/51/12/572405112.db2.gz AQAIABCBPDWPJN-WCBMZHEXSA-N 0 0 167.252 2.541 10 30 AFEERN O[C@H]1CC=C(C#Cc2ccccc2)CC1 238709397 572405165 /nfs/dbraw/zinc/40/51/65/572405165.db2.gz XHZQDJMNQKVXEW-AWEZNQCLSA-N 0 0 198.265 2.509 10 30 AFEERN CCCCC[C@@]1(C#N)CCCC1=O 83776650 572405166 /nfs/dbraw/zinc/40/51/66/572405166.db2.gz RITOAPKVLXRCDW-NSHDSACASA-N 0 0 179.263 2.830 10 30 AFEERN C=C(C)CN(C)c1cc(C)cc(N)c1 307260338 572405184 /nfs/dbraw/zinc/40/51/84/572405184.db2.gz SLWFEYMMDRFOLG-UHFFFAOYSA-N 0 0 190.290 2.590 10 30 AFEERN CC[C@@](C)(C#N)CCOC(C)C 83775850 572405254 /nfs/dbraw/zinc/40/52/54/572405254.db2.gz STGDYHJPHFUEAA-SNVBAGLBSA-N 0 0 169.268 2.741 10 30 AFEERN CCC[C@@H](C)C[C@@]1(C#N)CCOC1 83776474 572405269 /nfs/dbraw/zinc/40/52/69/572405269.db2.gz ZYZSBGQOLXRJQF-GHMZBOCLSA-N 0 0 181.279 2.743 10 30 AFEERN CCCCO[C@@H]1C=CC[C@H](C=O)[C@@H]1C 238233603 572405328 /nfs/dbraw/zinc/40/53/28/572405328.db2.gz ACBSEYKOAXJVAD-QJPTWQEYSA-N 0 0 196.290 2.583 10 30 AFEERN CCOCCC1(C#N)CCCCC1 83775502 572405450 /nfs/dbraw/zinc/40/54/50/572405450.db2.gz LCXGANYITSUXBH-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN C=C[C@H](O)/C(F)=C(/F)CCCC 238234038 572405462 /nfs/dbraw/zinc/40/54/62/572405462.db2.gz MIBLJPNIURYMNH-FZGDARCMSA-N 0 0 176.206 2.874 10 30 AFEERN CC(=O)[C@](C)(C#N)CCC(C)C 83776809 572405514 /nfs/dbraw/zinc/40/55/14/572405514.db2.gz ASDHNOJRKIOXAF-JTQLQIEISA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@@H](C#N)C[C@H](O)C(C)(C)C 238233773 572405676 /nfs/dbraw/zinc/40/56/76/572405676.db2.gz HUYRZAGCDGDTNL-ZJUUUORDSA-N 0 0 183.295 2.723 10 30 AFEERN C#CCC[C@@H](O)C1CCC(CC)CC1 83778262 572405686 /nfs/dbraw/zinc/40/56/86/572405686.db2.gz DYWJVRKQSZJERG-WXRRBKDZSA-N 0 0 194.318 2.977 10 30 AFEERN Cc1cc2cccc(CC#N)c2[nH]1 44368653 572405732 /nfs/dbraw/zinc/40/57/32/572405732.db2.gz TXQZYDWAHWVUOY-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN CC[C@@](C)(C#N)CC[C@H]1CCCO1 83775938 572405752 /nfs/dbraw/zinc/40/57/52/572405752.db2.gz OKXSLOBHOYNKBE-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN O[C@@H](C#Cc1ccccc1)C1=CCCC1 238717484 572405835 /nfs/dbraw/zinc/40/58/35/572405835.db2.gz QBSVNHLYSGIGTJ-AWEZNQCLSA-N 0 0 198.265 2.509 10 30 AFEERN CCC[C@H](C)C[C@]1(C#N)CCOC1 83776473 572405906 /nfs/dbraw/zinc/40/59/06/572405906.db2.gz ZYZSBGQOLXRJQF-QWRGUYRKSA-N 0 0 181.279 2.743 10 30 AFEERN CC(=O)[C@@](C)(C#N)CCC(C)C 83776810 572405996 /nfs/dbraw/zinc/40/59/96/572405996.db2.gz ASDHNOJRKIOXAF-SNVBAGLBSA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@@H](C)C[C@@](C)(C#N)C(C)=O 83776933 572406040 /nfs/dbraw/zinc/40/60/40/572406040.db2.gz HRBZWWFRFPTFJM-KOLCDFICSA-N 0 0 181.279 2.932 10 30 AFEERN CC(C)c1cccc(CC#N)c1 44369324 572406059 /nfs/dbraw/zinc/40/60/59/572406059.db2.gz VDHKLLIBEXRXFB-UHFFFAOYSA-N 0 0 159.232 2.876 10 30 AFEERN CCC[C@H](C)C[C@](C)(C#N)C(C)=O 83776936 572406067 /nfs/dbraw/zinc/40/60/67/572406067.db2.gz HRBZWWFRFPTFJM-GXSJLCMTSA-N 0 0 181.279 2.932 10 30 AFEERN C=CC[C@@H](CCCCC)OCCO 238231958 572406137 /nfs/dbraw/zinc/40/61/37/572406137.db2.gz NNASWLXAHWWJHW-NSHDSACASA-N 0 0 186.295 2.520 10 30 AFEERN Cc1cc2cc(CC#N)ccc2[nH]1 44368624 572406182 /nfs/dbraw/zinc/40/61/82/572406182.db2.gz RBWLGCPLRREGAZ-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN CC(C)Oc1ccc(CC#N)cc1F 44369002 572406190 /nfs/dbraw/zinc/40/61/90/572406190.db2.gz NFCMDSSPWZOTPA-UHFFFAOYSA-N 0 0 193.221 2.679 10 30 AFEERN C=CC(C=C)[C@H](O)C1=CCCCC1 238718466 572406213 /nfs/dbraw/zinc/40/62/13/572406213.db2.gz VAMKGYQXZVABEH-LBPRGKRZSA-N 0 0 178.275 2.836 10 30 AFEERN C=CCc1ccc(C#N)c(CC=C)c1O 238717595 572406263 /nfs/dbraw/zinc/40/62/63/572406263.db2.gz NRNLDAHUCXHPIX-UHFFFAOYSA-N 0 0 199.253 2.721 10 30 AFEERN CCc1cccc(CC)c1CC#N 44368853 572406299 /nfs/dbraw/zinc/40/62/99/572406299.db2.gz MMMLUHDPOLOGQB-UHFFFAOYSA-N 0 0 173.259 2.877 10 30 AFEERN CCC[C@@H](C=O)C[C@H](CC=O)CCC 238795240 572410054 /nfs/dbraw/zinc/41/00/54/572410054.db2.gz BCCYJTRXANSTIS-NWDGAFQWSA-N 0 0 198.306 2.997 10 30 AFEERN CCC[C@H](C)C[C@@]1(C#N)CCOC1 83776475 572406326 /nfs/dbraw/zinc/40/63/26/572406326.db2.gz ZYZSBGQOLXRJQF-WDEREUQCSA-N 0 0 181.279 2.743 10 30 AFEERN CC[C@@H](C)C[C@@](C)(C#N)C(C)=O 83776907 572406389 /nfs/dbraw/zinc/40/63/89/572406389.db2.gz AQAIABCBPDWPJN-SCZZXKLOSA-N 0 0 167.252 2.541 10 30 AFEERN CCCCCC[C@]1(C#N)CCOC1 83776310 572406462 /nfs/dbraw/zinc/40/64/62/572406462.db2.gz XYCWGYPKCWWQAY-LLVKDONJSA-N 0 0 181.279 2.887 10 30 AFEERN CCCCCC[C@@]1(C#N)CCOC1 83776311 572406518 /nfs/dbraw/zinc/40/65/18/572406518.db2.gz XYCWGYPKCWWQAY-NSHDSACASA-N 0 0 181.279 2.887 10 30 AFEERN CC(C)(C#N)CCC[C@H]1CCCO1 83775616 572406523 /nfs/dbraw/zinc/40/65/23/572406523.db2.gz KLXGAUUAKWRVJM-JTQLQIEISA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@](C)(C#N)CC[C@H]1CCCO1 83775937 572406530 /nfs/dbraw/zinc/40/65/30/572406530.db2.gz OKXSLOBHOYNKBE-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN CCC[C@H](C)C[C@@](C)(C#N)C(C)=O 83776934 572406536 /nfs/dbraw/zinc/40/65/36/572406536.db2.gz HRBZWWFRFPTFJM-ONGXEEELSA-N 0 0 181.279 2.932 10 30 AFEERN CC[C@H](C)C[C@@](C)(C#N)C(C)=O 83776908 572406668 /nfs/dbraw/zinc/40/66/68/572406668.db2.gz AQAIABCBPDWPJN-WPRPVWTQSA-N 0 0 167.252 2.541 10 30 AFEERN CC(C)Oc1ccccc1CC#N 44368997 572406675 /nfs/dbraw/zinc/40/66/75/572406675.db2.gz AUSABUDGMQTUDF-UHFFFAOYSA-N 0 0 175.231 2.540 10 30 AFEERN CC(=O)[C@@](C)(C#N)CCC(C)(C)C 83776832 572406681 /nfs/dbraw/zinc/40/66/81/572406681.db2.gz PGJBHUNIOHCBHG-LLVKDONJSA-N 0 0 181.279 2.932 10 30 AFEERN N#CCc1ccc(F)c(C(F)F)c1 44370549 572406728 /nfs/dbraw/zinc/40/67/28/572406728.db2.gz CNVCBOTZOCRHKC-UHFFFAOYSA-N 0 0 185.148 2.829 10 30 AFEERN CCCCC[C@]1(C#N)CCCC1=O 83776649 572406846 /nfs/dbraw/zinc/40/68/46/572406846.db2.gz RITOAPKVLXRCDW-LLVKDONJSA-N 0 0 179.263 2.830 10 30 AFEERN CCc1cc(CC#N)ccc1Cl 44369304 572406851 /nfs/dbraw/zinc/40/68/51/572406851.db2.gz JPEOGOJZFBKLJT-UHFFFAOYSA-N 0 0 179.650 2.968 10 30 AFEERN CCCCOCCC1(C#N)CCC1 83775999 572406861 /nfs/dbraw/zinc/40/68/61/572406861.db2.gz JKFPCXXDNAXNCR-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN CCCCCCCC[C@H](O)C(C)=O 117100563 572406917 /nfs/dbraw/zinc/40/69/17/572406917.db2.gz SDNGVORIGICIQX-NSHDSACASA-N 0 0 186.295 2.687 10 30 AFEERN CCCCO[C@@H]1C=CC[C@@H](C=O)[C@@H]1C 238233584 572406950 /nfs/dbraw/zinc/40/69/50/572406950.db2.gz ACBSEYKOAXJVAD-SDDRHHMPSA-N 0 0 196.290 2.583 10 30 AFEERN CCCCCC1(C#N)CCOCC1 83776245 572406998 /nfs/dbraw/zinc/40/69/98/572406998.db2.gz ATEIXNUAIXXYKI-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN CC[C@](C)(C#N)CCOC(C)C 83775849 572407026 /nfs/dbraw/zinc/40/70/26/572407026.db2.gz STGDYHJPHFUEAA-JTQLQIEISA-N 0 0 169.268 2.741 10 30 AFEERN CCC[C@@H](C)C[C@](C)(C#N)C(C)=O 83776935 572407052 /nfs/dbraw/zinc/40/70/52/572407052.db2.gz HRBZWWFRFPTFJM-MWLCHTKSSA-N 0 0 181.279 2.932 10 30 AFEERN CCCCC[C@](C)(C#N)C(C)=O 83776780 572407059 /nfs/dbraw/zinc/40/70/59/572407059.db2.gz ZUGKVVLUQNXBIV-SNVBAGLBSA-N 0 0 167.252 2.686 10 30 AFEERN CC[C@](C)(C#N)CC[C@@H]1CCCO1 83775935 572407076 /nfs/dbraw/zinc/40/70/76/572407076.db2.gz OKXSLOBHOYNKBE-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CCCCC/C=C/[C@H](C)C=O 117097568 572407135 /nfs/dbraw/zinc/40/71/35/572407135.db2.gz GAZZBKFJKSQCBH-JARNTUPDSA-N 0 0 154.253 2.958 10 30 AFEERN CC[C@@H](C)C[C@](C)(C#N)C(C)=O 83776909 572407143 /nfs/dbraw/zinc/40/71/43/572407143.db2.gz AQAIABCBPDWPJN-PSASIEDQSA-N 0 0 167.252 2.541 10 30 AFEERN CCCCCCC[C@H](CC=O)OC 117093484 572407316 /nfs/dbraw/zinc/40/73/16/572407316.db2.gz BVYIXZJVWVCOLC-LLVKDONJSA-N 0 0 186.295 2.951 10 30 AFEERN C=C(C)[C@H](/C=C(\C)CO)CC 238752690 572407358 /nfs/dbraw/zinc/40/73/58/572407358.db2.gz MWKQRLBUDINWBH-ZKXNXJMVSA-N 0 0 154.253 2.527 10 30 AFEERN CCCCON=Cc1ccc(O)cc1 256161169 572407656 /nfs/dbraw/zinc/40/76/56/572407656.db2.gz QDPGQTXAUKTSRN-UHFFFAOYSA-N 0 0 193.246 2.543 10 30 AFEERN C=CC[C@@H](O)c1c(F)cc(C)cc1F 307217204 572407910 /nfs/dbraw/zinc/40/79/10/572407910.db2.gz MMSCDGVVIUWWPK-SNVBAGLBSA-N 0 0 198.212 2.883 10 30 AFEERN CCCCC[C@@H](C=O)CCCCO 238232446 572408050 /nfs/dbraw/zinc/40/80/50/572408050.db2.gz LQPNUJOWYOUHHP-LLVKDONJSA-N 0 0 186.295 2.544 10 30 AFEERN COCCC[C@]1(C#N)CC[C@H](C)C1 83782180 572408067 /nfs/dbraw/zinc/40/80/67/572408067.db2.gz QWXLAGRFAGXUJA-QWRGUYRKSA-N 0 0 181.279 2.743 10 30 AFEERN C#Cc1ncc(CCCCCC)cn1 238232235 572408227 /nfs/dbraw/zinc/40/82/27/572408227.db2.gz MTVPVYIXMQEMRK-UHFFFAOYSA-N 0 0 188.274 2.581 10 30 AFEERN CC[C@@H](C#N)N1CCC(CC)(CC)C1 87254256 572408262 /nfs/dbraw/zinc/40/82/62/572408262.db2.gz ZZTJGPIXPNDBFT-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN CCCCC[C@H](CCCC=O)OC 238232395 572408501 /nfs/dbraw/zinc/40/85/01/572408501.db2.gz WWSREBDVOGXRHV-LLVKDONJSA-N 0 0 186.295 2.951 10 30 AFEERN C=C[C@H](C1CC1)[C@@H](O)c1ccccc1 238716655 572408528 /nfs/dbraw/zinc/40/85/28/572408528.db2.gz BZBYSEBEXHZYFO-OLZOCXBDSA-N 0 0 188.270 2.932 10 30 AFEERN C=CCc1cc(CCC#N)ccc1O 238715626 572408568 /nfs/dbraw/zinc/40/85/68/572408568.db2.gz DTYYAUXZBSWOFT-UHFFFAOYSA-N 0 0 187.242 2.577 10 30 AFEERN CCOCC[C@]1(C#N)CC[C@H](C)C1 83781831 572408735 /nfs/dbraw/zinc/40/87/35/572408735.db2.gz KVSUKJLBBGPDGU-WDEREUQCSA-N 0 0 181.279 2.743 10 30 AFEERN COCCC[C@@]1(C#N)CC[C@H](C)C1 83782175 572408916 /nfs/dbraw/zinc/40/89/16/572408916.db2.gz QWXLAGRFAGXUJA-WDEREUQCSA-N 0 0 181.279 2.743 10 30 AFEERN C=C/C=C/C[C@@H]1C[C@@H](C=O)C1(C)C 238232429 572408980 /nfs/dbraw/zinc/40/89/80/572408980.db2.gz DOKKKXHPHQFEGR-PVTPVBHGSA-N 0 0 178.275 2.980 10 30 AFEERN C=CCN(C)c1ccc(N)cc1Cl 307261440 572409009 /nfs/dbraw/zinc/40/90/09/572409009.db2.gz VEWBNECDJBWWDI-UHFFFAOYSA-N 0 0 196.681 2.544 10 30 AFEERN C#CC[C@@H](O)C1CCC(CCC)CC1 83780402 572409014 /nfs/dbraw/zinc/40/90/14/572409014.db2.gz ZCFOZPUCCPPKFE-WXRRBKDZSA-N 0 0 194.318 2.977 10 30 AFEERN CCCCC[C@@H](C=O)CCC(C)=O 238232100 572409018 /nfs/dbraw/zinc/40/90/18/572409018.db2.gz DDQGXOGKZAZQMM-LLVKDONJSA-N 0 0 184.279 2.751 10 30 AFEERN C=C(C)C(C)(C)C[C@H](O)C(C)C 238792547 572409055 /nfs/dbraw/zinc/40/90/55/572409055.db2.gz MPDWOEJXNYPFSV-JTQLQIEISA-N 0 0 170.296 2.996 10 30 AFEERN C=C[C@H]1CCC(=O)[C@@H]1CCCC 238795651 572409089 /nfs/dbraw/zinc/40/90/89/572409089.db2.gz ORGAOPRTWXQPCQ-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CCOCC[C@@]1(C#N)CC[C@H](C)C1 83781833 572409152 /nfs/dbraw/zinc/40/91/52/572409152.db2.gz KVSUKJLBBGPDGU-QWRGUYRKSA-N 0 0 181.279 2.743 10 30 AFEERN C=CCCC[C@H](CO)CCC 238795758 572409153 /nfs/dbraw/zinc/40/91/53/572409153.db2.gz FEIHNVWQEKXNGH-SNVBAGLBSA-N 0 0 156.269 2.751 10 30 AFEERN COCCC[C@]1(C#N)CC[C@@H](C)C1 83782177 572409293 /nfs/dbraw/zinc/40/92/93/572409293.db2.gz QWXLAGRFAGXUJA-MNOVXSKESA-N 0 0 181.279 2.743 10 30 AFEERN C=C=C(CC=C)[C@@H](O)CCCC 238232339 572409332 /nfs/dbraw/zinc/40/93/32/572409332.db2.gz HIVSWXJJLJKNBT-NSHDSACASA-N 0 0 166.264 2.825 10 30 AFEERN CCCC[C@](C)(C#N)CC(C)=O 238795857 572409383 /nfs/dbraw/zinc/40/93/83/572409383.db2.gz UMHPHXCSKSTYDA-JTQLQIEISA-N 0 0 167.252 2.686 10 30 AFEERN CCOCC[C@@]1(C#N)CC[C@@H](C)C1 83781837 572409455 /nfs/dbraw/zinc/40/94/55/572409455.db2.gz KVSUKJLBBGPDGU-MNOVXSKESA-N 0 0 181.279 2.743 10 30 AFEERN C=C[C@@H]1CCC(=O)[C@@H]1CCCC 238795681 572409498 /nfs/dbraw/zinc/40/94/98/572409498.db2.gz ORGAOPRTWXQPCQ-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C#N)N1CCC(CC)(CC)C1 87254258 572409769 /nfs/dbraw/zinc/40/97/69/572409769.db2.gz ZZTJGPIXPNDBFT-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@H](C=O)C[C@H](CC=O)CCC 238795244 572410124 /nfs/dbraw/zinc/41/01/24/572410124.db2.gz BCCYJTRXANSTIS-RYUDHWBXSA-N 0 0 198.306 2.997 10 30 AFEERN CCCCC[C@@H](C#CCO)CCC 238232151 572410172 /nfs/dbraw/zinc/41/01/72/572410172.db2.gz LZRUYZWYMXNNJC-LBPRGKRZSA-N 0 0 182.307 2.979 10 30 AFEERN C=C/C=C/C[C@@H]1C[C@H](C=O)C1(C)C 238232416 572410300 /nfs/dbraw/zinc/41/03/00/572410300.db2.gz DOKKKXHPHQFEGR-XIJCSBCJSA-N 0 0 178.275 2.980 10 30 AFEERN CCCCC[C@@H](C=O)CCC#N 238232057 572410343 /nfs/dbraw/zinc/41/03/43/572410343.db2.gz PDTGGFIBTFHUAO-SNVBAGLBSA-N 0 0 167.252 2.686 10 30 AFEERN CCOCC[C@]1(C#N)CC[C@@H](C)C1 83781835 572410368 /nfs/dbraw/zinc/41/03/68/572410368.db2.gz KVSUKJLBBGPDGU-GHMZBOCLSA-N 0 0 181.279 2.743 10 30 AFEERN C=C[C@@H](C1CC1)[C@@H](O)c1ccccc1 238714991 572410383 /nfs/dbraw/zinc/41/03/83/572410383.db2.gz BZBYSEBEXHZYFO-STQMWFEESA-N 0 0 188.270 2.932 10 30 AFEERN CC(C)[C@H](c1ccccc1)[C@@H](F)C=O 238793463 572412573 /nfs/dbraw/zinc/41/25/73/572412573.db2.gz MRKDQSUXZCQGDC-NWDGAFQWSA-N 0 0 194.249 2.963 10 30 AFEERN C=CC(C)(C)CC[C@H](O)C(C)C 238792557 572410432 /nfs/dbraw/zinc/41/04/32/572410432.db2.gz CBDRSZPMTIBYNN-JTQLQIEISA-N 0 0 170.296 2.996 10 30 AFEERN C#CC[C@H](O)C1CCC(CCC)CC1 83780404 572410489 /nfs/dbraw/zinc/41/04/89/572410489.db2.gz ZCFOZPUCCPPKFE-BPCQOVAHSA-N 0 0 194.318 2.977 10 30 AFEERN C=C[C@@H]1CC(=O)[C@H](CCCC)C1 238795191 572410634 /nfs/dbraw/zinc/41/06/34/572410634.db2.gz JJTYJLAWHGFLNR-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H]1CCCC[C@H]1NC(=O)CCC 238234745 572412891 /nfs/dbraw/zinc/41/28/91/572412891.db2.gz DCENWANPKZNISV-WDEREUQCSA-N 0 0 195.306 2.648 10 30 AFEERN C#C[C@H]([NH2+]CC)c1csc(C)c1C 307220722 572410955 /nfs/dbraw/zinc/41/09/55/572410955.db2.gz XGCQYLOKNLHJJO-NSHDSACASA-N 0 0 193.315 2.649 10 30 AFEERN C=C[C@H]1CC(=O)[C@H](CCCC)C1 238795118 572410998 /nfs/dbraw/zinc/41/09/98/572410998.db2.gz JJTYJLAWHGFLNR-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN CCCCCCC[C@H](OC)C(C)=O 117112393 572411071 /nfs/dbraw/zinc/41/10/71/572411071.db2.gz HFYDKGDIMYHZNR-NSHDSACASA-N 0 0 186.295 2.951 10 30 AFEERN C=C[C@@H]1[C@H](C)CC(=O)[C@@H](C)[C@@H]1C 208655256 572411318 /nfs/dbraw/zinc/41/13/18/572411318.db2.gz INOPPVYNLDZUJY-XFWSIPNHSA-N 0 0 166.264 2.670 10 30 AFEERN CCCCC/C=C/C1(C#CCO)CC1 238235090 572411611 /nfs/dbraw/zinc/41/16/11/572411611.db2.gz AJEODLSLOMFIFZ-SOFGYWHQSA-N 0 0 192.302 2.899 10 30 AFEERN CC1(C)[C@H](C=O)[C@]12C=Cc1ccccc12 238232883 572411622 /nfs/dbraw/zinc/41/16/22/572411622.db2.gz RTNSEKOLYXHRML-GXTWGEPZSA-N 0 0 198.265 2.806 10 30 AFEERN C#CC[C@](C)(CCCC)C(C)=O 238795851 572411709 /nfs/dbraw/zinc/41/17/09/572411709.db2.gz LTQOQYDTPHVGGM-LLVKDONJSA-N 0 0 166.264 2.795 10 30 AFEERN CCCCCCC[C@@H](OC)C(C)=O 117112390 572411717 /nfs/dbraw/zinc/41/17/17/572411717.db2.gz HFYDKGDIMYHZNR-LLVKDONJSA-N 0 0 186.295 2.951 10 30 AFEERN CCC[C@H](C#C[Si](C)(C)C)CCO 238795550 572411861 /nfs/dbraw/zinc/41/18/61/572411861.db2.gz ZMSNIEPJZNIDJH-NSHDSACASA-N 0 0 198.382 2.666 10 30 AFEERN CCCC#C[C@@H](CO)CCCCC 238233099 572411909 /nfs/dbraw/zinc/41/19/09/572411909.db2.gz DQYJZUGRGGQIBE-LBPRGKRZSA-N 0 0 182.307 2.979 10 30 AFEERN CCCC[C@H](C#N)Nc1ccccn1 238794017 572412301 /nfs/dbraw/zinc/41/23/01/572412301.db2.gz FCSZJMWYPCITJT-SNVBAGLBSA-N 0 0 189.262 2.576 10 30 AFEERN CC1(C)[C@H](C=O)[C@@]12C=Cc1ccccc12 238232805 572412434 /nfs/dbraw/zinc/41/24/34/572412434.db2.gz RTNSEKOLYXHRML-JSGCOSHPSA-N 0 0 198.265 2.806 10 30 AFEERN CC(C)[C@@H]([C@H](C)C=O)n1cccc1 238793512 572412603 /nfs/dbraw/zinc/41/26/03/572412603.db2.gz FHYNEJKEYBYIPT-MNOVXSKESA-N 0 0 179.263 2.520 10 30 AFEERN C=CC(=C)C[C@@H](O)CCCC 238232993 572412633 /nfs/dbraw/zinc/41/26/33/572412633.db2.gz AKQCSZMEXPCCFY-JTQLQIEISA-N 0 0 154.253 2.670 10 30 AFEERN C=CC(=C)C[C@H](O)CCCC 238794153 572412775 /nfs/dbraw/zinc/41/27/75/572412775.db2.gz AKQCSZMEXPCCFY-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN C#CCCCCC#C[C@H](O)CCCC 238794031 572412785 /nfs/dbraw/zinc/41/27/85/572412785.db2.gz GLWZETVXZVVSSB-CYBMUJFWSA-N 0 0 192.302 2.735 10 30 AFEERN C=C(C)[C@H](C)[C@@H](O)CCCC 238234548 572412847 /nfs/dbraw/zinc/41/28/47/572412847.db2.gz WMTOEYLLQHGSIT-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN CCCc1oc(N)c(C#N)c1CCC 238234823 572412942 /nfs/dbraw/zinc/41/29/42/572412942.db2.gz PTCPBKBUYWGGDG-UHFFFAOYSA-N 0 0 192.262 2.638 10 30 AFEERN CC(C)[C@@H]([C@@H](C)C=O)n1cccc1 238793423 572412973 /nfs/dbraw/zinc/41/29/73/572412973.db2.gz FHYNEJKEYBYIPT-QWRGUYRKSA-N 0 0 179.263 2.520 10 30 AFEERN Cc1ccccc1O[C@@H](C=O)C(C)C 238793383 572413113 /nfs/dbraw/zinc/41/31/13/572413113.db2.gz OOCRGUHQNNELIY-LBPRGKRZSA-N 0 0 192.258 2.597 10 30 AFEERN CCCC[C@@H](S)[C@H](CO)CCC 238794508 572415634 /nfs/dbraw/zinc/41/56/34/572415634.db2.gz OEYDPBGZGOUNMY-VHSXEESVSA-N 0 0 190.352 2.884 10 30 AFEERN CC(C)[C@H](c1ccccc1)[C@H](F)C=O 238793548 572413812 /nfs/dbraw/zinc/41/38/12/572413812.db2.gz MRKDQSUXZCQGDC-VXGBXAGGSA-N 0 0 194.249 2.963 10 30 AFEERN CC#C/C(C)=C\[C@H](O)CCCC 238794412 572413753 /nfs/dbraw/zinc/41/37/53/572413753.db2.gz FKKZYXPZBSUEMF-DWOQACPDSA-N 0 0 166.264 2.507 10 30 AFEERN CC#CCCC[C@H](O)CCCC 238794171 572414093 /nfs/dbraw/zinc/41/40/93/572414093.db2.gz ONGHHEUSBAVURF-LLVKDONJSA-N 0 0 168.280 2.731 10 30 AFEERN C=C(C)[C@H](C)[C@H](O)CCCC 238794238 572414113 /nfs/dbraw/zinc/41/41/13/572414113.db2.gz WMTOEYLLQHGSIT-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(F)[C@H](c1ccccc1)[C@H](C)O 307255914 572414125 /nfs/dbraw/zinc/41/41/25/572414125.db2.gz ANSHIPQHSORKCA-ONGXEEELSA-N 0 0 180.222 2.634 10 30 AFEERN C=C[C@@H]1[C@H](C)CC(=O)[C@H](C)[C@@H]1C 208655190 572414186 /nfs/dbraw/zinc/41/41/86/572414186.db2.gz INOPPVYNLDZUJY-UTINFBMNSA-N 0 0 166.264 2.670 10 30 AFEERN C=C(C(C)C)[C@H](O)CCCC 238794051 572414324 /nfs/dbraw/zinc/41/43/24/572414324.db2.gz SFJSLIIHUCTKND-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN CCC#C[C@@H](CO)CCCCC 238233086 572414334 /nfs/dbraw/zinc/41/43/34/572414334.db2.gz FQTZYBLGLNQIRN-LLVKDONJSA-N 0 0 168.280 2.589 10 30 AFEERN C=C[C@@H]1CCCC[C@H]1NC(=O)CCC 238234768 572414383 /nfs/dbraw/zinc/41/43/83/572414383.db2.gz DCENWANPKZNISV-GHMZBOCLSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)/C=C/[C@H]1CCCC[C@H]1O 307283648 572414536 /nfs/dbraw/zinc/41/45/36/572414536.db2.gz IKRCLFLRRRJRMJ-QSNNZYTBSA-N 0 0 166.264 2.670 10 30 AFEERN C=CCC(=O)[C@H]1CC[C@H](CC)C1 83798181 572414638 /nfs/dbraw/zinc/41/46/38/572414638.db2.gz QBLGSCDJUAVLGI-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@@H](C)[C@H](O)CCCC 238794321 572414701 /nfs/dbraw/zinc/41/47/01/572414701.db2.gz WMTOEYLLQHGSIT-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN CC[C@H]1CC[C@](C#N)(CCOC)C1 83791798 572414766 /nfs/dbraw/zinc/41/47/66/572414766.db2.gz PIXZRNHABDXZKO-QWRGUYRKSA-N 0 0 181.279 2.743 10 30 AFEERN C#C[C@H](O)[C@@H](/C(C)=C/C(=C)C)C(C)C 238793475 572414776 /nfs/dbraw/zinc/41/47/76/572414776.db2.gz HIZRUZFASRSKHN-UAIPSJAGSA-N 0 0 192.302 2.775 10 30 AFEERN CC(C)[C@@H]1CC(=O)C[C@]1(C)CCC=O 238793809 572414849 /nfs/dbraw/zinc/41/48/49/572414849.db2.gz WDYZGWIZGUHEQI-RYUDHWBXSA-N 0 0 196.290 2.607 10 30 AFEERN CCCCC(=O)/C=C/[C@H](O)CCCC 238794421 572414822 /nfs/dbraw/zinc/41/48/22/572414822.db2.gz YEKXENFHUPEWDQ-PBQZMEPESA-N 0 0 198.306 2.853 10 30 AFEERN CCCCC#C[C@@H]1C=CCC[C@H]1O 307270162 572414991 /nfs/dbraw/zinc/41/49/91/572414991.db2.gz HPKOPNIROFZFKW-VXGBXAGGSA-N 0 0 178.275 2.507 10 30 AFEERN CC[C@@H]1CC[C@](C#N)(CCOC)C1 83791796 572415101 /nfs/dbraw/zinc/41/51/01/572415101.db2.gz PIXZRNHABDXZKO-MNOVXSKESA-N 0 0 181.279 2.743 10 30 AFEERN C=CC#C[C@H](O)[C@H](/C=C/C=C)C(C)C 238793613 572415127 /nfs/dbraw/zinc/41/51/27/572415127.db2.gz KFPRXYBXQWDUQC-PYISVCGKSA-N 0 0 190.286 2.551 10 30 AFEERN CCCCC/C=C/C[C@@H]1O[C@@H]1CC=O 238235980 572415135 /nfs/dbraw/zinc/41/51/35/572415135.db2.gz CWVNNEILSMTLDP-FNSAGKMKSA-N 0 0 196.290 2.869 10 30 AFEERN C=CCC(=O)[C@@H]1CC[C@@H](CC)C1 83798183 572415136 /nfs/dbraw/zinc/41/51/36/572415136.db2.gz QBLGSCDJUAVLGI-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN CC#C[C@H](C)[C@@H](O)CCCCC 238237914 572415297 /nfs/dbraw/zinc/41/52/97/572415297.db2.gz AEZHMURIHKYKGB-QWRGUYRKSA-N 0 0 168.280 2.587 10 30 AFEERN C=C[C@H](O)c1cc(F)ccc1Cl 307266502 572415174 /nfs/dbraw/zinc/41/51/74/572415174.db2.gz CXJBTJSINOLYPJ-VIFPVBQESA-N 0 0 186.613 2.699 10 30 AFEERN CC(C)[C@@H]1CCCC=CC(=O)C1 238794148 572415247 /nfs/dbraw/zinc/41/52/47/572415247.db2.gz UVKPCNGOVRZCBJ-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1[C@@H](O)C[C@@]23CCC[C@@]12[C@H](C)CC3 307217164 572415249 /nfs/dbraw/zinc/41/52/49/572415249.db2.gz MJWQZDHIOVCDMJ-LPTSXCQYSA-N 0 0 192.302 2.894 10 30 AFEERN C#CCCC(=O)[C@@H]1CC[C@H](CC)C1 83797902 572415280 /nfs/dbraw/zinc/41/52/80/572415280.db2.gz LHHCLVBOBXPAEE-WDEREUQCSA-N 0 0 178.275 2.795 10 30 AFEERN CC[C@H]1CC[C@@](C#N)(CCOC)C1 83791802 572415461 /nfs/dbraw/zinc/41/54/61/572415461.db2.gz PIXZRNHABDXZKO-WDEREUQCSA-N 0 0 181.279 2.743 10 30 AFEERN C#CCCC(=O)[C@H]1CC[C@@H](CC)C1 83797893 572415474 /nfs/dbraw/zinc/41/54/74/572415474.db2.gz LHHCLVBOBXPAEE-MNOVXSKESA-N 0 0 178.275 2.795 10 30 AFEERN C#CCCC(=O)[C@H]1CC[C@H](CC)C1 83797896 572415562 /nfs/dbraw/zinc/41/55/62/572415562.db2.gz LHHCLVBOBXPAEE-QWRGUYRKSA-N 0 0 178.275 2.795 10 30 AFEERN CCCCC[C@H](O)C#COC(C)(C)C 238236490 572415587 /nfs/dbraw/zinc/41/55/87/572415587.db2.gz BSYKBBXDXCVPNX-NSHDSACASA-N 0 0 198.306 2.704 10 30 AFEERN CCCCCCC[C@@H]1C=C[C@H](O)O1 238236849 572415591 /nfs/dbraw/zinc/41/55/91/572415591.db2.gz PGKHDHCPBGMBJQ-GHMZBOCLSA-N 0 0 184.279 2.620 10 30 AFEERN CCCC[C@@H]1CCC(=O)[C@H]1CC#N 238794862 572416019 /nfs/dbraw/zinc/41/60/19/572416019.db2.gz BHMBPLMIOFRJNJ-ZJUUUORDSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@@]1(C)C[C@@]1(C#N)NC(C)(C)C 238236385 572416037 /nfs/dbraw/zinc/41/60/37/572416037.db2.gz TWUXFGHPQRKIDY-RYUDHWBXSA-N 0 0 194.322 2.847 10 30 AFEERN CC#Cc1nccc2ccccc12 307298563 572416072 /nfs/dbraw/zinc/41/60/72/572416072.db2.gz WVOXWTYSKZQIJN-UHFFFAOYSA-N 0 0 167.211 2.606 10 30 AFEERN C=C(C)/C=C/[C@H]1CCCC[C@@H]1O 307283657 572416109 /nfs/dbraw/zinc/41/61/09/572416109.db2.gz IKRCLFLRRRJRMJ-SFEFJYQLSA-N 0 0 166.264 2.670 10 30 AFEERN CCC(=O)[C@]1(C)CCCC[C@H]1CC=O 238236499 572416202 /nfs/dbraw/zinc/41/62/02/572416202.db2.gz YPGIXFKHTRBOBQ-CMPLNLGQSA-N 0 0 196.290 2.751 10 30 AFEERN CC#C/C=C/C[C@@H]1CCCCC1=O 307296474 572416265 /nfs/dbraw/zinc/41/62/65/572416265.db2.gz QTEDIBNJPRKPCE-SGUJLRQBSA-N 0 0 176.259 2.715 10 30 AFEERN CCCC[C@H](O)/C=C1/CCCCC1=O 238236876 572416266 /nfs/dbraw/zinc/41/62/66/572416266.db2.gz PVQMHLDSFNXMLB-JUDLJHIGSA-N 0 0 196.290 2.607 10 30 AFEERN C#Cc1ccccc1[C@H](O)CCCC 238794450 572416300 /nfs/dbraw/zinc/41/63/00/572416300.db2.gz ZYJKJABVXJKYMK-CYBMUJFWSA-N 0 0 188.270 2.892 10 30 AFEERN C=C[C@H](CCC)c1cocc1CO 238794789 572416352 /nfs/dbraw/zinc/41/63/52/572416352.db2.gz LLTFGHPYRZJYQT-SECBINFHSA-N 0 0 180.247 2.842 10 30 AFEERN CCCC[C@@](CC)(CO)CCC#N 238796107 572416397 /nfs/dbraw/zinc/41/63/97/572416397.db2.gz HLGFYWXFNBTQTD-LLVKDONJSA-N 0 0 183.295 2.869 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)(CCOC)C1 83791801 572417054 /nfs/dbraw/zinc/41/70/54/572417054.db2.gz PIXZRNHABDXZKO-GHMZBOCLSA-N 0 0 181.279 2.743 10 30 AFEERN CCCCC/C=C/C[C@H](O)CCC=O 238236132 572416486 /nfs/dbraw/zinc/41/64/86/572416486.db2.gz SAKWXVKAZXXBKX-SYTKJHMZSA-N 0 0 198.306 2.853 10 30 AFEERN CCC[C@@H](C=O)c1ccc(Cl)nc1 238794846 572416563 /nfs/dbraw/zinc/41/65/63/572416563.db2.gz PYGVIANHURBLDW-VIFPVBQESA-N 0 0 197.665 2.818 10 30 AFEERN CC(C)Oc1cccc(CCC=O)c1 87284100 572416756 /nfs/dbraw/zinc/41/67/56/572416756.db2.gz GAEOGNKKESBCSK-UHFFFAOYSA-N 0 0 192.258 2.605 10 30 AFEERN CCC(=O)[C@]1(C)CCCC[C@@H]1CC=O 238236484 572416778 /nfs/dbraw/zinc/41/67/78/572416778.db2.gz YPGIXFKHTRBOBQ-ZYHUDNBSSA-N 0 0 196.290 2.751 10 30 AFEERN CC#C/C(C)=C\[C@@H](O)CCCC 238236784 572417070 /nfs/dbraw/zinc/41/70/70/572417070.db2.gz FKKZYXPZBSUEMF-JUDLJHIGSA-N 0 0 166.264 2.507 10 30 AFEERN C=CCC(=O)[C@@H]1CC[C@H](CC)C1 83798185 572416874 /nfs/dbraw/zinc/41/68/74/572416874.db2.gz QBLGSCDJUAVLGI-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CCCC#C[C@@H](O)CCCCC 238236408 572417001 /nfs/dbraw/zinc/41/70/01/572417001.db2.gz HZCQAUFMXKDZHX-NSHDSACASA-N 0 0 168.280 2.731 10 30 AFEERN C=CCC(=O)[C@H]1CC[C@@H](CC)C1 83798177 572417022 /nfs/dbraw/zinc/41/70/22/572417022.db2.gz QBLGSCDJUAVLGI-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1C[C@@]23C=CCC[C@@H]2[C@H](O)C[C@@H]1C3 307280542 572417025 /nfs/dbraw/zinc/41/70/25/572417025.db2.gz ZGDKQAWLAQBNAB-FDYHWXHSSA-N 0 0 190.286 2.670 10 30 AFEERN C=C[C@H]1CCCC[C@@H]1NC(=O)CCC 238235410 572417194 /nfs/dbraw/zinc/41/71/94/572417194.db2.gz DCENWANPKZNISV-QWRGUYRKSA-N 0 0 195.306 2.648 10 30 AFEERN C#C[C@@H]1CCC[C@@H](CC)C1 307213958 572417224 /nfs/dbraw/zinc/41/72/24/572417224.db2.gz RFWJIUVONYJUIV-NXEZZACHSA-N 0 0 136.238 2.836 10 30 AFEERN C=C(C)[C@H](O)C(C)(C)C(C)(C)C 307240859 572417289 /nfs/dbraw/zinc/41/72/89/572417289.db2.gz QSBOUHRZMFKPOQ-VIFPVBQESA-N 0 0 170.296 2.996 10 30 AFEERN C=C1[C@@H](C)C[C@@H](c2ccccc2)[C@H]1O 307294139 572417395 /nfs/dbraw/zinc/41/73/95/572417395.db2.gz CMMUUTJHRLPMGQ-XDTLVQLUSA-N 0 0 188.270 2.727 10 30 AFEERN CCCC[C@@H](S)[C@@H](CO)CCC 238794507 572417476 /nfs/dbraw/zinc/41/74/76/572417476.db2.gz OEYDPBGZGOUNMY-NXEZZACHSA-N 0 0 190.352 2.884 10 30 AFEERN C=C1C[C@H](O)[C@H]2CCCC[C@@H]2C1 307217480 572417482 /nfs/dbraw/zinc/41/74/82/572417482.db2.gz CGQCDNROLXNLLH-VWYCJHECSA-N 0 0 166.264 2.504 10 30 AFEERN CCCCC(=O)/C=C/[C@@H](O)CCCC 238236897 572417550 /nfs/dbraw/zinc/41/75/50/572417550.db2.gz YEKXENFHUPEWDQ-USKTWTLRSA-N 0 0 198.306 2.853 10 30 AFEERN C=C(C)[C@]12CCC(=O)[C@H]1[C@H]2CC 307269593 572417613 /nfs/dbraw/zinc/41/76/13/572417613.db2.gz HBTYASLVQAZNGS-IEBDPFPHSA-N 0 0 164.248 2.568 10 30 AFEERN CCCCNC1=C(C(C)=O)CCCC1 238237324 572417626 /nfs/dbraw/zinc/41/76/26/572417626.db2.gz NSHMIONRMIFXBL-UHFFFAOYSA-N 0 0 195.306 2.793 10 30 AFEERN C#Cc1ccccc1[C@@H](O)CCCC 238237461 572417647 /nfs/dbraw/zinc/41/76/47/572417647.db2.gz ZYJKJABVXJKYMK-ZDUSSCGKSA-N 0 0 188.270 2.892 10 30 AFEERN CCCCCCC[C@H]1NC(=O)C1(C)C 238236629 572417736 /nfs/dbraw/zinc/41/77/36/572417736.db2.gz SXDURLPVLBALOU-SNVBAGLBSA-N 0 0 197.322 2.872 10 30 AFEERN CCCCC/C=C/C[C@@H]1O[C@H]1CC=O 238236028 572417794 /nfs/dbraw/zinc/41/77/94/572417794.db2.gz CWVNNEILSMTLDP-KZQRZKTQSA-N 0 0 196.290 2.869 10 30 AFEERN CCCCCCC[C@H](O)C#COCC 238235313 572417811 /nfs/dbraw/zinc/41/78/11/572417811.db2.gz SAYUZJNFSXASJJ-LBPRGKRZSA-N 0 0 198.306 2.705 10 30 AFEERN CCCCCCC[C@@H]1C=C[C@@H](O)O1 238236931 572417837 /nfs/dbraw/zinc/41/78/37/572417837.db2.gz PGKHDHCPBGMBJQ-MNOVXSKESA-N 0 0 184.279 2.620 10 30 AFEERN C=CCCCC(=O)[C@@H]1C[C@H]1C 83807303 572417912 /nfs/dbraw/zinc/41/79/12/572417912.db2.gz WXYLABRREYIBJG-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCSC(=S)NCCCC 238236297 572418025 /nfs/dbraw/zinc/41/80/25/572418025.db2.gz LINZWERHWBTAQY-UHFFFAOYSA-N 0 0 189.349 2.580 10 30 AFEERN CCCC[C@@](C=O)(CC)CCC=O 238796085 572418033 /nfs/dbraw/zinc/41/80/33/572418033.db2.gz GFCKVZLUTUAPCD-NSHDSACASA-N 0 0 184.279 2.751 10 30 AFEERN CCCC[C@@](N)(C#N)c1ccccc1 238796138 572418036 /nfs/dbraw/zinc/41/80/36/572418036.db2.gz MYPZJRVFQHDMRO-GFCCVEGCSA-N 0 0 188.274 2.554 10 30 AFEERN CCN(C)N=C1CCC[C@H](C)[C@@H]1C 379416305 572418080 /nfs/dbraw/zinc/41/80/80/572418080.db2.gz RMVXNEHUKFSCEF-UWVGGRQHSA-N 0 0 182.311 2.750 10 30 AFEERN CCC[C@@]1(C)C[C@]1(C#N)NC(C)(C)C 238236271 572418167 /nfs/dbraw/zinc/41/81/67/572418167.db2.gz TWUXFGHPQRKIDY-NWDGAFQWSA-N 0 0 194.322 2.847 10 30 AFEERN CCCCCCC[C@@H](C=O)OC 238236099 572418220 /nfs/dbraw/zinc/41/82/20/572418220.db2.gz IRFAWJNEOPQJIY-JTQLQIEISA-N 0 0 172.268 2.561 10 30 AFEERN C=C(C)[C@]1(C)C[C@@H](O)c2ccccc21 307232269 572418243 /nfs/dbraw/zinc/41/82/43/572418243.db2.gz BZABSQUNTJKHIC-OLZOCXBDSA-N 0 0 188.270 2.958 10 30 AFEERN CC(C)CC1(CNCC#N)CCCC1 87309716 572418246 /nfs/dbraw/zinc/41/82/46/572418246.db2.gz NVGACRQKHSNTET-UHFFFAOYSA-N 0 0 194.322 2.706 10 30 AFEERN C=C1CCCC12CCOCC2 300957597 572418331 /nfs/dbraw/zinc/41/83/31/572418331.db2.gz PXKSDQHFNXPYBI-UHFFFAOYSA-N 0 0 152.237 2.523 10 30 AFEERN CCN(C)N=C1CCC[C@@H](C)[C@@H]1C 379416307 572418741 /nfs/dbraw/zinc/41/87/41/572418741.db2.gz RMVXNEHUKFSCEF-ZJUUUORDSA-N 0 0 182.311 2.750 10 30 AFEERN C=C[C@@]1(C)C(=O)C[C@H]1CCCC 238794787 572418572 /nfs/dbraw/zinc/41/85/72/572418572.db2.gz GJBHCOJCIQGZOV-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN CCCC[C@@H]1CCC(=O)[C@@H]1CC#N 238794860 572418636 /nfs/dbraw/zinc/41/86/36/572418636.db2.gz BHMBPLMIOFRJNJ-NXEZZACHSA-N 0 0 179.263 2.686 10 30 AFEERN CCN(C)N=C1CCC[C@H](C)[C@H]1C 379416306 572418833 /nfs/dbraw/zinc/41/88/33/572418833.db2.gz RMVXNEHUKFSCEF-VHSXEESVSA-N 0 0 182.311 2.750 10 30 AFEERN CON=C(C)c1ccc(F)c(C)c1 379412124 572418941 /nfs/dbraw/zinc/41/89/41/572418941.db2.gz JOOBDHOXLNRQQP-UHFFFAOYSA-N 0 0 181.210 2.505 10 30 AFEERN C=C[C@H](CC)[C@@H]1CCCC[C@@H]1O 307215142 572418950 /nfs/dbraw/zinc/41/89/50/572418950.db2.gz KYZDEDCNGMWDHJ-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@H](O)[C@H]1CC=C(C)C[C@H]1C 307226939 572418980 /nfs/dbraw/zinc/41/89/80/572418980.db2.gz VZXXGZDATGQUCW-VWYCJHECSA-N 0 0 166.264 2.526 10 30 AFEERN N#CCc1cc(Cl)cc2c1CCC2 214668977 572419053 /nfs/dbraw/zinc/41/90/53/572419053.db2.gz LYCISWXCLZTLEX-UHFFFAOYSA-N 0 0 191.661 2.895 10 30 AFEERN C=C[C@@]1(CO)C[C@@H]2CC[C@H]1C2=C(C)C 307273398 572419213 /nfs/dbraw/zinc/41/92/13/572419213.db2.gz IOXKAFNGPNPZEO-GVXVVHGQSA-N 0 0 192.302 2.917 10 30 AFEERN C=C(C)[C@H]1CC[C@H]2CCC(=O)[C@H]21 307235726 572419255 /nfs/dbraw/zinc/41/92/55/572419255.db2.gz NHBFXFNFXVRQFO-IQJOONFLSA-N 0 0 164.248 2.568 10 30 AFEERN CCN(C)N=C1CCC[C@@H](C)[C@H]1C 379416304 572419319 /nfs/dbraw/zinc/41/93/19/572419319.db2.gz RMVXNEHUKFSCEF-NXEZZACHSA-N 0 0 182.311 2.750 10 30 AFEERN C=CCCCC(=O)[C@H]1C[C@@H]1C 83807302 572419416 /nfs/dbraw/zinc/41/94/16/572419416.db2.gz WXYLABRREYIBJG-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCCCC(=O)[C@H]1C[C@H]1C 83807299 572419534 /nfs/dbraw/zinc/41/95/34/572419534.db2.gz WXYLABRREYIBJG-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCCCC(=O)[C@@H]1C[C@@H]1C 83807305 572419646 /nfs/dbraw/zinc/41/96/46/572419646.db2.gz WXYLABRREYIBJG-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN CCCC[C@H](S)[C@@H](CO)CCC 238238307 572419649 /nfs/dbraw/zinc/41/96/49/572419649.db2.gz OEYDPBGZGOUNMY-ZJUUUORDSA-N 0 0 190.352 2.884 10 30 AFEERN C=C(C)[C@H](O)[C@@H]1CCCC(F)(F)C1 300902997 572419758 /nfs/dbraw/zinc/41/97/58/572419758.db2.gz CLMXUFCKALQIRW-BDAKNGLRSA-N 0 0 190.233 2.749 10 30 AFEERN CCCCC/C=C/C[C@@H](O)CCC=O 238235873 572419824 /nfs/dbraw/zinc/41/98/24/572419824.db2.gz SAKWXVKAZXXBKX-NNNHXZLVSA-N 0 0 198.306 2.853 10 30 AFEERN C[C@@H](C=O)Cc1cccc2ccoc12 107173740 572419838 /nfs/dbraw/zinc/41/98/38/572419838.db2.gz SFYHSEJJBNBZKM-SECBINFHSA-N 0 0 188.226 2.810 10 30 AFEERN C=C[C@@H]1CCCC[C@@H]1NC(=O)CCC 238235432 572420045 /nfs/dbraw/zinc/42/00/45/572420045.db2.gz DCENWANPKZNISV-MNOVXSKESA-N 0 0 195.306 2.648 10 30 AFEERN C=C[C@@](C=O)(CCCC)[C@@H](C)OCC 238796057 572422744 /nfs/dbraw/zinc/42/27/44/572422744.db2.gz LCBPVXCCTJJUJK-NEPJUHHUSA-N 0 0 198.306 2.973 10 30 AFEERN Cc1ccsc1C#Cc1ccncc1 307241566 572420208 /nfs/dbraw/zinc/42/02/08/572420208.db2.gz ITYORVRMBNPFOA-UHFFFAOYSA-N 0 0 199.278 2.851 10 30 AFEERN CCCCCCCc1[nH]c(=O)[nH]c1C 238237737 572420222 /nfs/dbraw/zinc/42/02/22/572420222.db2.gz YVKSNQBBTHFIHN-UHFFFAOYSA-N 0 0 196.294 2.524 10 30 AFEERN N#CCc1cc(Cl)c2c(c1)CCC2 214669059 572420647 /nfs/dbraw/zinc/42/06/47/572420647.db2.gz IWMAMUKCIVOSHP-UHFFFAOYSA-N 0 0 191.661 2.895 10 30 AFEERN C=CC(=C)C[C@H](O)[C@H](C)CC 238796745 572420662 /nfs/dbraw/zinc/42/06/62/572420662.db2.gz DSCDQPGDYNWTNV-ZJUUUORDSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@H](CC)[C@H]1CCCC[C@@H]1O 307215136 572421121 /nfs/dbraw/zinc/42/11/21/572421121.db2.gz KYZDEDCNGMWDHJ-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@@H](C)[C@@H](O)CCCC 238235787 572421135 /nfs/dbraw/zinc/42/11/35/572421135.db2.gz WMTOEYLLQHGSIT-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=C[C@@H]1[C@@H](C(=C)C)CC[C@H](C)[C@@H]1O 307237562 572421215 /nfs/dbraw/zinc/42/12/15/572421215.db2.gz GUIVCPKDQMPMHS-QCNOEVLYSA-N 0 0 180.291 2.772 10 30 AFEERN C=C[C@H](O)C(C)(C)c1ccc(F)cc1 307273204 572421256 /nfs/dbraw/zinc/42/12/56/572421256.db2.gz IDQMQHMTFDYZFU-NSHDSACASA-N 0 0 194.249 2.650 10 30 AFEERN CCCC[C@H](S)[C@H](CO)CCC 238238323 572421392 /nfs/dbraw/zinc/42/13/92/572421392.db2.gz OEYDPBGZGOUNMY-UWVGGRQHSA-N 0 0 190.352 2.884 10 30 AFEERN CCCCCCCc1cc[nH]c(=O)c1 238237899 572421516 /nfs/dbraw/zinc/42/15/16/572421516.db2.gz VMAMTUXNNNVXDK-UHFFFAOYSA-N 0 0 193.290 2.888 10 30 AFEERN CC[C@@H](C)c1ccc(CC=O)cc1 238798682 572421583 /nfs/dbraw/zinc/42/15/83/572421583.db2.gz GHPNJOONBWHJBL-SNVBAGLBSA-N 0 0 176.259 2.942 10 30 AFEERN C=CCSc1cc(C)nc(C#N)c1 307230018 572421748 /nfs/dbraw/zinc/42/17/48/572421748.db2.gz BMASJCHHFDJVRF-UHFFFAOYSA-N 0 0 190.271 2.540 10 30 AFEERN C#CCNc1ccc(F)c(C2CC2)c1 307293080 572421824 /nfs/dbraw/zinc/42/18/24/572421824.db2.gz OKYCRSLHQJHRPC-UHFFFAOYSA-N 0 0 189.233 2.748 10 30 AFEERN C[C@@H](C=O)Cc1ccc2occc2c1 107173744 572421841 /nfs/dbraw/zinc/42/18/41/572421841.db2.gz GFSYCKWLXGWELW-SECBINFHSA-N 0 0 188.226 2.810 10 30 AFEERN C=C(C)[C@@H](CCCC)C(C)=O 238796605 572421858 /nfs/dbraw/zinc/42/18/58/572421858.db2.gz VLXMWEYLIBHFRS-SNVBAGLBSA-N 0 0 154.253 2.958 10 30 AFEERN C#C[C@H]1CCC[C@H](CC)C1 307213959 572421936 /nfs/dbraw/zinc/42/19/36/572421936.db2.gz RFWJIUVONYJUIV-UWVGGRQHSA-N 0 0 136.238 2.836 10 30 AFEERN CCCCCCCn1cc(C#N)cn1 238238621 572423901 /nfs/dbraw/zinc/42/39/01/572423901.db2.gz NBVCLTSVHJRJMR-UHFFFAOYSA-N 0 0 191.278 2.725 10 30 AFEERN C#CC[C@](C=O)(CC)CCCC 238796077 572422739 /nfs/dbraw/zinc/42/27/39/572422739.db2.gz PTYAMLKBIJULKX-LLVKDONJSA-N 0 0 166.264 2.795 10 30 AFEERN C=C(F)[C@H](c1ccccc1)[C@@H](C)O 307255904 572422773 /nfs/dbraw/zinc/42/27/73/572422773.db2.gz ANSHIPQHSORKCA-KOLCDFICSA-N 0 0 180.222 2.634 10 30 AFEERN CC#C[C@@H]1C=CC[C@H]1[C@@H](O)/C=C/CC 307267835 572422793 /nfs/dbraw/zinc/42/27/93/572422793.db2.gz FIIZEUXGXZNTFP-QEZCFNCBSA-N 0 0 190.286 2.529 10 30 AFEERN CCCCC#CC[C@H]1C=CC[C@H]1O 307230686 572422973 /nfs/dbraw/zinc/42/29/73/572422973.db2.gz APXYQSMXSGCDST-NWDGAFQWSA-N 0 0 178.275 2.507 10 30 AFEERN C#CC[C@H](O)C1(CCCC)CCC1 238238551 572423028 /nfs/dbraw/zinc/42/30/28/572423028.db2.gz RAZZDJVBWWCTHK-NSHDSACASA-N 0 0 180.291 2.731 10 30 AFEERN C=C1C[C@@H](C[C@H](C)O)C[C@@H](C)C1 307287739 572423437 /nfs/dbraw/zinc/42/34/37/572423437.db2.gz VSTCOGUMRXFWJH-GARJFASQSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@H]1CC[C@@](C)(F)C(=O)C1 208756493 572423783 /nfs/dbraw/zinc/42/37/83/572423783.db2.gz KKCCRQBSDAVRAG-WCBMZHEXSA-N 0 0 170.227 2.660 10 30 AFEERN C=C[C@@H](O)c1cc(F)ccc1Cl 307266490 572424168 /nfs/dbraw/zinc/42/41/68/572424168.db2.gz CXJBTJSINOLYPJ-SECBINFHSA-N 0 0 186.613 2.699 10 30 AFEERN CCCCCCCc1ncncc1O 238238430 572424327 /nfs/dbraw/zinc/42/43/27/572424327.db2.gz ZHKFERQDQMDCQY-UHFFFAOYSA-N 0 0 194.278 2.695 10 30 AFEERN CC(C)C(C)(C)CCC=O 196633952 572424413 /nfs/dbraw/zinc/42/44/13/572424413.db2.gz OEDYGVASDQIREV-UHFFFAOYSA-N 0 0 142.242 2.648 10 30 AFEERN C=C[C@@]1(C)C[C@@H](C)C[C@@H](C)C1=O 208805176 572424685 /nfs/dbraw/zinc/42/46/85/572424685.db2.gz VYSNRYRMCJYPJT-NGZCFLSTSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)CCNc1cccc(N)c1C 307247084 572424697 /nfs/dbraw/zinc/42/46/97/572424697.db2.gz ZHSMTWFYDWOWHU-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C=C1CC[C@H]2C[C@@H]1[C@@]2(C)CCCO 307252261 572424727 /nfs/dbraw/zinc/42/47/27/572424727.db2.gz RUPLRUSXFOZWDZ-SRVKXCTJSA-N 0 0 180.291 2.751 10 30 AFEERN CC(=O)C(F)=C1CCCCC1 196638557 572428199 /nfs/dbraw/zinc/42/81/99/572428199.db2.gz TUXIAUIVACGHET-UHFFFAOYSA-N 0 0 156.200 2.763 10 30 AFEERN CCC1=CC(=O)CC[C@@H]1CC 196620641 572424742 /nfs/dbraw/zinc/42/47/42/572424742.db2.gz AOXFFZKCRFIVBQ-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@@H]1CC[C@@H]2CCC(=O)C[C@H]12 196624124 572424808 /nfs/dbraw/zinc/42/48/08/572424808.db2.gz JKYXADGKXBPNAC-FXPVBKGRSA-N 0 0 164.248 2.568 10 30 AFEERN C=CC(=C)C[C@@H](O)[C@H](C)CC 238798210 572424841 /nfs/dbraw/zinc/42/48/41/572424841.db2.gz DSCDQPGDYNWTNV-NXEZZACHSA-N 0 0 154.253 2.526 10 30 AFEERN C=C(C)CCNc1ccc(F)cc1N 307238867 572424884 /nfs/dbraw/zinc/42/48/84/572424884.db2.gz PAFZRSRUVRLVND-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN C=C[C@H](O)[C@@H]1CC=C(C)C[C@H]1C 307226938 572424890 /nfs/dbraw/zinc/42/48/90/572424890.db2.gz VZXXGZDATGQUCW-MXWKQRLJSA-N 0 0 166.264 2.526 10 30 AFEERN C=C[C@@](C=O)(CCCC)[C@H](C)OCC 238796059 572424939 /nfs/dbraw/zinc/42/49/39/572424939.db2.gz LCBPVXCCTJJUJK-RYUDHWBXSA-N 0 0 198.306 2.973 10 30 AFEERN C=C(Sc1ccccc1)[C@@H](C)O 196629434 572425016 /nfs/dbraw/zinc/42/50/16/572425016.db2.gz YKVYOBIJIBNJSI-MRVPVSSYSA-N 0 0 180.272 2.673 10 30 AFEERN C=C(C)[C@H]1CC2(CCCCC2)[C@@H]1O 307290234 572425078 /nfs/dbraw/zinc/42/50/78/572425078.db2.gz KQHVAQWISJEBAA-GHMZBOCLSA-N 0 0 180.291 2.894 10 30 AFEERN C=C1[C@H](O)C[C@@]23CCC[C@@]12[C@H](C)CC3 307217163 572425162 /nfs/dbraw/zinc/42/51/62/572425162.db2.gz MJWQZDHIOVCDMJ-FOUMNBMASA-N 0 0 192.302 2.894 10 30 AFEERN C=C1C[C@H](C)C[C@@H](C[C@H](C)O)C1 307287738 572425373 /nfs/dbraw/zinc/42/53/73/572425373.db2.gz VSTCOGUMRXFWJH-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1cc(N[C@H](C)CC#N)ccc1F 61097178 572425396 /nfs/dbraw/zinc/42/53/96/572425396.db2.gz KKIVOGUVRKAHQQ-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN C=C[C@H](O)c1cccc(OCCC)c1 83813421 572425460 /nfs/dbraw/zinc/42/54/60/572425460.db2.gz FOTYKWVAFUWHCV-LBPRGKRZSA-N 0 0 192.258 2.695 10 30 AFEERN Cc1cc(N[C@@H](C)CC#N)ccc1F 61097176 572425476 /nfs/dbraw/zinc/42/54/76/572425476.db2.gz KKIVOGUVRKAHQQ-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN CCCCC#C[C@@H]1C=CCC[C@@H]1O 307270156 572425527 /nfs/dbraw/zinc/42/55/27/572425527.db2.gz HPKOPNIROFZFKW-NEPJUHHUSA-N 0 0 178.275 2.507 10 30 AFEERN C=C[C@H]1CC(=O)CC[C@H]1C(C)C 196628988 572425555 /nfs/dbraw/zinc/42/55/55/572425555.db2.gz QXNSYXCBSUUXGY-ONGXEEELSA-N 0 0 166.264 2.814 10 30 AFEERN CCCC[C@@](C)(O)CCCCC=O 238795991 572425616 /nfs/dbraw/zinc/42/56/16/572425616.db2.gz WDHMRSYCABCCTB-LLVKDONJSA-N 0 0 186.295 2.687 10 30 AFEERN C=CC[C@]12C=CCC=C1C=CC2=O 196629360 572425622 /nfs/dbraw/zinc/42/56/22/572425622.db2.gz YUYZIVNQWZRJNB-LBPRGKRZSA-N 0 0 172.227 2.574 10 30 AFEERN CCCCC#C[C@H]1C=CCC[C@@H]1O 307270160 572425626 /nfs/dbraw/zinc/42/56/26/572425626.db2.gz HPKOPNIROFZFKW-RYUDHWBXSA-N 0 0 178.275 2.507 10 30 AFEERN C=C[C@H]1CC(=O)CC[C@@H]1C(C)C 196628994 572425649 /nfs/dbraw/zinc/42/56/49/572425649.db2.gz QXNSYXCBSUUXGY-GXSJLCMTSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@@]12C=CCC=C1CCC2=O 196628815 572425661 /nfs/dbraw/zinc/42/56/61/572425661.db2.gz ISZCPTRQXUNUCE-GFCCVEGCSA-N 0 0 174.243 2.798 10 30 AFEERN C=C[C@@H]1CC(=O)CC[C@@H]1C(C)C 196629008 572425747 /nfs/dbraw/zinc/42/57/47/572425747.db2.gz QXNSYXCBSUUXGY-MWLCHTKSSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@@H](O)C[C@@H](C)c1ccccc1 83813643 572425780 /nfs/dbraw/zinc/42/57/80/572425780.db2.gz HOXHYTIVCXIKME-ZYHUDNBSSA-N 0 0 176.259 2.727 10 30 AFEERN CC(C)=C1CC(C)(C)CC1=O 196636360 572425793 /nfs/dbraw/zinc/42/57/93/572425793.db2.gz IBXREKODRWQXNN-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@@H](O)c1ccc(OCCC)cc1 83813401 572425802 /nfs/dbraw/zinc/42/58/02/572425802.db2.gz DQZXDSNGXDFSCT-GFCCVEGCSA-N 0 0 192.258 2.695 10 30 AFEERN CO[C@@H](C#N)c1ccc(C)c(Cl)c1 234722204 572425909 /nfs/dbraw/zinc/42/59/09/572425909.db2.gz VHRPQXITFNXDAX-JTQLQIEISA-N 0 0 195.649 2.860 10 30 AFEERN C=C[C@H](O)c1ccc(OCCC)cc1 83813402 572425971 /nfs/dbraw/zinc/42/59/71/572425971.db2.gz DQZXDSNGXDFSCT-LBPRGKRZSA-N 0 0 192.258 2.695 10 30 AFEERN C=CC[C@@]12C=CCC=C1C=CC2=O 196629352 572425976 /nfs/dbraw/zinc/42/59/76/572425976.db2.gz YUYZIVNQWZRJNB-GFCCVEGCSA-N 0 0 172.227 2.574 10 30 AFEERN C=C[C@H](O)c1ccc(OC(C)C)cc1 83813400 572425981 /nfs/dbraw/zinc/42/59/81/572425981.db2.gz DXYIPIWHGDKROG-LBPRGKRZSA-N 0 0 192.258 2.693 10 30 AFEERN C=C[C@](O)(CCC)c1ccccc1 83813294 572426010 /nfs/dbraw/zinc/42/60/10/572426010.db2.gz FNRKGPKCSKSARA-LBPRGKRZSA-N 0 0 176.259 2.860 10 30 AFEERN C=C[C@H](O)c1cccc(OC(C)C)c1 83813418 572427357 /nfs/dbraw/zinc/42/73/57/572427357.db2.gz VIKXPGWEAVWEIA-LBPRGKRZSA-N 0 0 192.258 2.693 10 30 AFEERN CO[C@@H](C#N)c1ccc(Cl)cc1C 234722263 572426214 /nfs/dbraw/zinc/42/62/14/572426214.db2.gz KVEMFYACIZZFLH-JTQLQIEISA-N 0 0 195.649 2.860 10 30 AFEERN CCCCC1(C)C=CC(=O)C=C1 196625261 572426186 /nfs/dbraw/zinc/42/61/86/572426186.db2.gz FAXCGRHMICDVAF-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@H](O)C1(C)CCCCCC1 307264286 572426292 /nfs/dbraw/zinc/42/62/92/572426292.db2.gz FIHOFSNPRZUFCU-JTQLQIEISA-N 0 0 168.280 2.894 10 30 AFEERN C=CC[C@]12C=CCC=C1CCC2=O 196628828 572426348 /nfs/dbraw/zinc/42/63/48/572426348.db2.gz ISZCPTRQXUNUCE-LBPRGKRZSA-N 0 0 174.243 2.798 10 30 AFEERN C=CCN(C(=O)/C=C/C)C1CCCC1 88329713 572426436 /nfs/dbraw/zinc/42/64/36/572426436.db2.gz PAVVEXZEHWCGIZ-XVNBXDOJSA-N 0 0 193.290 2.520 10 30 AFEERN C=C(Sc1ccccc1)[C@H](C)O 196629422 572426505 /nfs/dbraw/zinc/42/65/05/572426505.db2.gz YKVYOBIJIBNJSI-QMMMGPOBSA-N 0 0 180.272 2.673 10 30 AFEERN C=CCC(=O)c1ccc2[nH]ccc2c1 76630310 572426563 /nfs/dbraw/zinc/42/65/63/572426563.db2.gz WLDRNDNWCFWPQV-UHFFFAOYSA-N 0 0 185.226 2.927 10 30 AFEERN C=C[C@@H](O)c1ccc(OC(C)C)cc1 83813399 572427149 /nfs/dbraw/zinc/42/71/49/572427149.db2.gz DXYIPIWHGDKROG-GFCCVEGCSA-N 0 0 192.258 2.693 10 30 AFEERN C=C[C@@H](O)C[C@H](C)c1ccccc1 83813642 572427131 /nfs/dbraw/zinc/42/71/31/572427131.db2.gz HOXHYTIVCXIKME-CMPLNLGQSA-N 0 0 176.259 2.727 10 30 AFEERN C=C(C)/C(C)=C\[C@@H](C)C(C)=O 307204359 572427256 /nfs/dbraw/zinc/42/72/56/572427256.db2.gz FTMWPEYBGCEKCX-JGAIRUGNSA-N 0 0 152.237 2.734 10 30 AFEERN C=C[C@H](C)C[C@@H]1CCCC[C@H]1O 307205574 572427850 /nfs/dbraw/zinc/42/78/50/572427850.db2.gz JZHUXDKTIMZZES-GARJFASQSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@H](CC)[C@H]1CCCC[C@H]1O 307215134 572427777 /nfs/dbraw/zinc/42/77/77/572427777.db2.gz KYZDEDCNGMWDHJ-GMTAPVOTSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@H](O)c1cccc(OC(C)C)c1 83813416 572427795 /nfs/dbraw/zinc/42/77/95/572427795.db2.gz VIKXPGWEAVWEIA-GFCCVEGCSA-N 0 0 192.258 2.693 10 30 AFEERN C=C[C@H](C)C[C@H]1CCCC[C@H]1O 307205576 572427867 /nfs/dbraw/zinc/42/78/67/572427867.db2.gz JZHUXDKTIMZZES-HBNTYKKESA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@H]1CCC[C@@H]([C@@H](C)O)C1 687827656 572427918 /nfs/dbraw/zinc/42/79/18/572427918.db2.gz NWEIHVGOZMNJBF-GMTAPVOTSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@H](O)c1cccc(OCCC)c1 83813419 572428037 /nfs/dbraw/zinc/42/80/37/572428037.db2.gz FOTYKWVAFUWHCV-GFCCVEGCSA-N 0 0 192.258 2.695 10 30 AFEERN CC#C[C@@H]1C=CC[C@H]1[C@H](O)/C=C/CC 307234855 572428102 /nfs/dbraw/zinc/42/81/02/572428102.db2.gz FIIZEUXGXZNTFP-HCEGRNQMSA-N 0 0 190.286 2.529 10 30 AFEERN C=C[C@H](O)C[C@H](C)c1ccccc1 83813644 572428173 /nfs/dbraw/zinc/42/81/73/572428173.db2.gz HOXHYTIVCXIKME-JQWIXIFHSA-N 0 0 176.259 2.727 10 30 AFEERN C=C1[C@H](O)CC23CCCC12CCC3 196638605 572428343 /nfs/dbraw/zinc/42/83/43/572428343.db2.gz UTLJBPQRVSEBCC-VOMCLLRMSA-N 0 0 178.275 2.648 10 30 AFEERN C#C[C@H](CC)[C@@H](O)CCCCC 238238089 572428397 /nfs/dbraw/zinc/42/83/97/572428397.db2.gz KBDWXASFIDLZLG-MNOVXSKESA-N 0 0 168.280 2.587 10 30 AFEERN C=C1CC23CCCC2(CCC3)C1=O 196638520 572429673 /nfs/dbraw/zinc/42/96/73/572429673.db2.gz QRTBUPAUGXYMFB-UHFFFAOYSA-N 0 0 176.259 2.856 10 30 AFEERN C=CC[C@H]1C(=C)[C@H](O)CCC1(C)C 307262844 572428625 /nfs/dbraw/zinc/42/86/25/572428625.db2.gz UDAMBFKXSMEJJF-WDEREUQCSA-N 0 0 180.291 2.916 10 30 AFEERN C[C@H]1CC(=O)C=C1c1ccccc1 196640016 572429933 /nfs/dbraw/zinc/42/99/33/572429933.db2.gz QWEJWEROMMYTQW-VIFPVBQESA-N 0 0 172.227 2.679 10 30 AFEERN C=CC[C@@H]1CCC[C@@H]([C@H](C)O)C1 687827657 572428760 /nfs/dbraw/zinc/42/87/60/572428760.db2.gz NWEIHVGOZMNJBF-HBNTYKKESA-N 0 0 168.280 2.750 10 30 AFEERN C[C@@H]1CC(=O)C=C1c1ccccc1 196640009 572429137 /nfs/dbraw/zinc/42/91/37/572429137.db2.gz QWEJWEROMMYTQW-SECBINFHSA-N 0 0 172.227 2.679 10 30 AFEERN C=C1C(=O)C=C2[C@H]3CCC[C@@]12CC3 196638497 572429315 /nfs/dbraw/zinc/42/93/15/572429315.db2.gz JWXPGXMAVISUGJ-JOYOIKCWSA-N 0 0 174.243 2.632 10 30 AFEERN C=CC[C@@H]1CCC[C@H]([C@@H](C)O)C1 687827658 572429323 /nfs/dbraw/zinc/42/93/23/572429323.db2.gz NWEIHVGOZMNJBF-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@H]1CCC[C@H]([C@H](C)O)C1 687827655 572429352 /nfs/dbraw/zinc/42/93/52/572429352.db2.gz NWEIHVGOZMNJBF-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@@]1(C)C[C@@H](O)c2ccccc21 307232266 572430098 /nfs/dbraw/zinc/43/00/98/572430098.db2.gz BZABSQUNTJKHIC-CHWSQXEVSA-N 0 0 188.270 2.958 10 30 AFEERN CC#C[C@@H](C)[C@@H](O)CCCCC 238238816 572431328 /nfs/dbraw/zinc/43/13/28/572431328.db2.gz AEZHMURIHKYKGB-MNOVXSKESA-N 0 0 168.280 2.587 10 30 AFEERN C=C1C[C@]23C=C[C@H](O)C[C@H]2C[C@H]1CC3 307234504 572431817 /nfs/dbraw/zinc/43/18/17/572431817.db2.gz MLMKJIKCPIWXRU-NDBYEHHHSA-N 0 0 190.286 2.670 10 30 AFEERN CCC1=C(OCC(C)C)CCC1=O 238238897 572431903 /nfs/dbraw/zinc/43/19/03/572431903.db2.gz RQBYTUXOIMKMBD-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CCC[C@H](C#CC(=O)OC)CC(C)C 308022296 572432214 /nfs/dbraw/zinc/43/22/14/572432214.db2.gz OQWJWHMZZIJDFW-LLVKDONJSA-N 0 0 196.290 2.625 10 30 AFEERN C=CCC(=O)c1cccc(C)c1OC 76634320 572432516 /nfs/dbraw/zinc/43/25/16/572432516.db2.gz VQIPYUJOGDKLDJ-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN CC(C)CC[C@H](O)C#C[Si](C)(C)C 207625946 572432787 /nfs/dbraw/zinc/43/27/87/572432787.db2.gz KAXPJRNFFLKOAS-NSHDSACASA-N 0 0 198.382 2.664 10 30 AFEERN C=C(C)CN(C)c1ccc(C)c(N)c1 307256215 572433716 /nfs/dbraw/zinc/43/37/16/572433716.db2.gz BXKZCJDCZGNRBX-UHFFFAOYSA-N 0 0 190.290 2.590 10 30 AFEERN CCCCC#CC[C@H]1C=CC[C@@H]1O 307230687 572432896 /nfs/dbraw/zinc/43/28/96/572432896.db2.gz APXYQSMXSGCDST-RYUDHWBXSA-N 0 0 178.275 2.507 10 30 AFEERN CCC[C@@H](C#CC(=O)OC)CC(C)C 308022304 572433533 /nfs/dbraw/zinc/43/35/33/572433533.db2.gz OQWJWHMZZIJDFW-NSHDSACASA-N 0 0 196.290 2.625 10 30 AFEERN C=Cc1c[nH]c2ccccc12 307276116 572433666 /nfs/dbraw/zinc/43/36/66/572433666.db2.gz UORVQJVMBAAIRW-QMMMGPOBSA-N 0 0 143.189 2.672 10 30 AFEERN CC(=O)C=CNc1cccc(Cl)c1 308026402 572434277 /nfs/dbraw/zinc/43/42/77/572434277.db2.gz XNQUVJJKEVRYPX-WAYWQWQTSA-N 0 0 195.649 2.855 10 30 AFEERN C=C[C@H](C)Sc1nc(C)co1 307312192 572434409 /nfs/dbraw/zinc/43/44/09/572434409.db2.gz JHESUZICJQMQEC-ZETCQYMHSA-N 0 0 169.249 2.650 10 30 AFEERN C=C[C@@H](C)Nc1cc(OC)ccc1C 300939904 572434846 /nfs/dbraw/zinc/43/48/46/572434846.db2.gz XOTHQXUQJZGYAE-SNVBAGLBSA-N 0 0 191.274 2.990 10 30 AFEERN CCCCC[C@H]1C=CC(=O)[C@H]1C 238240434 572434868 /nfs/dbraw/zinc/43/48/68/572434868.db2.gz KFCFUPRGYIXZJY-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H](C=O)c1ccc(C(C)=O)cc1 238799667 572434904 /nfs/dbraw/zinc/43/49/04/572434904.db2.gz NSTBAVWIVRVPOH-JTQLQIEISA-N 0 0 190.242 2.582 10 30 AFEERN C#C[C@@H](CC)[C@@H](O)CCCCC 238238951 572434960 /nfs/dbraw/zinc/43/49/60/572434960.db2.gz KBDWXASFIDLZLG-QWRGUYRKSA-N 0 0 168.280 2.587 10 30 AFEERN CO[C@@H](C)CCC(=O)C1=CCCCC1 234731247 572435413 /nfs/dbraw/zinc/43/54/13/572435413.db2.gz OLIFVZKDUDAKJN-JTQLQIEISA-N 0 0 196.290 2.871 10 30 AFEERN CCCCC[C@H]1C=CC(=O)[C@@H]1C 238240422 572435574 /nfs/dbraw/zinc/43/55/74/572435574.db2.gz KFCFUPRGYIXZJY-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN CCC(=O)C[C@H](CC)C(C)(C)C=O 238799982 572436583 /nfs/dbraw/zinc/43/65/83/572436583.db2.gz FXHJZZRSXRPOIM-VIFPVBQESA-N 0 0 184.279 2.607 10 30 AFEERN C=CC[C@](C)(C=O)c1ccccc1F 238803549 572437957 /nfs/dbraw/zinc/43/79/57/572437957.db2.gz JXEZREOHGUGQIE-GFCCVEGCSA-N 0 0 192.233 2.858 10 30 AFEERN C=C[C@](C)(/C=C/CO)c1ccccc1 238803476 572437905 /nfs/dbraw/zinc/43/79/05/572437905.db2.gz CFLLNUJSMCISTF-UTSBKAFOSA-N 0 0 188.270 2.679 10 30 AFEERN C=C(CO)[C@@H]1C[C@H]2C[C@@]2(C)C1(C)C 307332657 572437910 /nfs/dbraw/zinc/43/79/10/572437910.db2.gz AFUAYEBVURFMIE-JBLDHEPKSA-N 0 0 180.291 2.607 10 30 AFEERN CCCCC[C@@H](C=O)OC(C)(C)C 238239977 572438544 /nfs/dbraw/zinc/43/85/44/572438544.db2.gz AVFGJULRTIXWES-JTQLQIEISA-N 0 0 186.295 2.949 10 30 AFEERN C#C[C@@](C)(CC)n1c(C)ccc1C 307361959 572438792 /nfs/dbraw/zinc/43/87/92/572438792.db2.gz FUXSGOBWTWUYGO-LBPRGKRZSA-N 0 0 175.275 2.863 10 30 AFEERN C=C[C@H]1CC[C@H]2CC(=O)CCC[C@@H]21 307346170 572438853 /nfs/dbraw/zinc/43/88/53/572438853.db2.gz WNJCBBXAOFOYAF-JBLDHEPKSA-N 0 0 178.275 2.958 10 30 AFEERN C=C1[C@H](C)C[C@@H](c2ccccc2)[C@H]1O 307353435 572438923 /nfs/dbraw/zinc/43/89/23/572438923.db2.gz CMMUUTJHRLPMGQ-ICCXJUOJSA-N 0 0 188.270 2.727 10 30 AFEERN C=C(C)CN(C)c1ccc(N)c(C)c1 307312180 572440601 /nfs/dbraw/zinc/44/06/01/572440601.db2.gz GFWNHQWSPCKAGY-UHFFFAOYSA-N 0 0 190.290 2.590 10 30 AFEERN C=C[C@H](C)[C@@H]1CC[C@H](C)C(=O)C1 307313580 572441096 /nfs/dbraw/zinc/44/10/96/572441096.db2.gz GYQPKEUEYPBXAI-LPEHRKFASA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@@](C)(CCCO)c1ccccc1 238803629 572439173 /nfs/dbraw/zinc/43/91/73/572439173.db2.gz TYTRXTALIIYNBF-ZDUSSCGKSA-N 0 0 190.286 2.903 10 30 AFEERN C=CC[C@](C)(C=O)c1cccc(F)c1 238803547 572439299 /nfs/dbraw/zinc/43/92/99/572439299.db2.gz RFTIBLBXWHFTNQ-GFCCVEGCSA-N 0 0 192.233 2.858 10 30 AFEERN C=CC[C@@](C)(CCO)c1ccccc1 238803644 572439445 /nfs/dbraw/zinc/43/94/45/572439445.db2.gz SMEKARDZUCSWAP-ZDUSSCGKSA-N 0 0 190.286 2.903 10 30 AFEERN C=CC[C@](C)(C=O)c1cccs1 238803553 572439457 /nfs/dbraw/zinc/43/94/57/572439457.db2.gz KONXMGAGBOSYOA-SNVBAGLBSA-N 0 0 180.272 2.781 10 30 AFEERN C#C[C@@](C)(CCC=C)c1ccc[nH]1 238803597 572439585 /nfs/dbraw/zinc/43/95/85/572439585.db2.gz FSSWQOUTAPFGPV-LBPRGKRZSA-N 0 0 173.259 2.872 10 30 AFEERN C=C(C)C[C@@H]1CCC[C@@H]2C[C@H]2C1=O 307382352 572439675 /nfs/dbraw/zinc/43/96/75/572439675.db2.gz BOYHBOBOVYMPOF-OUAUKWLOSA-N 0 0 178.275 2.958 10 30 AFEERN CCC[C@H](C#C[Si](C)(C)C)[C@H](C)O 307386306 572440029 /nfs/dbraw/zinc/44/00/29/572440029.db2.gz APLHTYVNVLYQMM-WDEREUQCSA-N 0 0 198.382 2.664 10 30 AFEERN C=C[C@@](C)(CCO)c1ccccc1 238803643 572440120 /nfs/dbraw/zinc/44/01/20/572440120.db2.gz KISJFTFSNJALIF-LBPRGKRZSA-N 0 0 176.259 2.513 10 30 AFEERN CC(C)(CC#N)CC(=O)OC(C)(C)C 76637319 572440202 /nfs/dbraw/zinc/44/02/02/572440202.db2.gz HIISHOADZZTGFH-UHFFFAOYSA-N 0 0 197.278 2.658 10 30 AFEERN C#C/C(C)=C\C(C)(C)CC(C)=O 307361058 572440406 /nfs/dbraw/zinc/44/04/06/572440406.db2.gz GZXWKTNAOQOREA-CLFYSBASSA-N 0 0 164.248 2.571 10 30 AFEERN C=CCC[C@@](C)(C=C)CC=O 238803604 572440660 /nfs/dbraw/zinc/44/06/60/572440660.db2.gz XZPCNLDWJMLWOZ-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN C=CC[C@](C)(C=C)CCC=O 238803608 572440853 /nfs/dbraw/zinc/44/08/53/572440853.db2.gz FHDOXMCACSKMPO-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN CCCCC[C@H](O)/C=C1/CCCC1=O 238239679 572441060 /nfs/dbraw/zinc/44/10/60/572441060.db2.gz XSDNVXMBHVTRCB-JUDLJHIGSA-N 0 0 196.290 2.607 10 30 AFEERN CC(C)(C)OC(=O)C(C)(C)CCC#N 76637316 572441535 /nfs/dbraw/zinc/44/15/35/572441535.db2.gz AQFNUSURNLEMPO-UHFFFAOYSA-N 0 0 197.278 2.658 10 30 AFEERN C=CCCC(=O)C#Cc1ccccc1 307367833 572442004 /nfs/dbraw/zinc/44/20/04/572442004.db2.gz MOTZSUNONWKRHF-UHFFFAOYSA-N 0 0 184.238 2.573 10 30 AFEERN C=C[C@@]1(C)CC[C@@H](C(=C)C)[C@H](O)C1 307321760 572441889 /nfs/dbraw/zinc/44/18/89/572441889.db2.gz QYBMLJGFALGZQY-TUAOUCFPSA-N 0 0 180.291 2.916 10 30 AFEERN C=CC1=C(C)[C@H](O)C[C@@H](C(=C)C)C1 307300159 572441907 /nfs/dbraw/zinc/44/19/07/572441907.db2.gz SCOBLLVXAFRHMX-NWDGAFQWSA-N 0 0 178.275 2.836 10 30 AFEERN Cc1ccc2nc(C)c([C@@H](C)C#N)n2c1 31915854 572442093 /nfs/dbraw/zinc/44/20/93/572442093.db2.gz OZXWHPXNDRNFAQ-VIFPVBQESA-N 0 0 199.257 2.578 10 30 AFEERN CCCCC[C@@H](C=O)SCC 238240241 572442096 /nfs/dbraw/zinc/44/20/96/572442096.db2.gz CPCVQTJTGSESJZ-VIFPVBQESA-N 0 0 174.309 2.887 10 30 AFEERN C=C[C@@H](O)[C@@H](C)[C@H]1CC=C(C)CC1 307357807 572442112 /nfs/dbraw/zinc/44/21/12/572442112.db2.gz XGYANCGRNWFBND-SDDRHHMPSA-N 0 0 180.291 2.916 10 30 AFEERN CCc1ccc(CC#N)cc1CC 117220531 572442295 /nfs/dbraw/zinc/44/22/95/572442295.db2.gz MLUDTMSEKVLXIJ-UHFFFAOYSA-N 0 0 173.259 2.877 10 30 AFEERN Cc1cccc2c(CCS)noc12 31888704 572442495 /nfs/dbraw/zinc/44/24/95/572442495.db2.gz DPUIHZTUVBOHHG-UHFFFAOYSA-N 0 0 193.271 2.609 10 30 AFEERN C=C1CC[C@H]2CCC[C@]2(C)[C@@H](O)C1 307358266 572442811 /nfs/dbraw/zinc/44/28/11/572442811.db2.gz YKLICNHINXTQRX-WOPDTQHZSA-N 0 0 180.291 2.894 10 30 AFEERN C=CC[C@H]1CC[C@@H]2CC(=O)C[C@]12C 307317812 572442726 /nfs/dbraw/zinc/44/27/26/572442726.db2.gz PJDSWLCOLZWRKQ-HOSYDEDBSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(c1ccoc1C=O)C(F)(F)F 307381120 572442817 /nfs/dbraw/zinc/44/28/17/572442817.db2.gz GIVKHPUGATYRTP-UHFFFAOYSA-N 0 0 190.120 2.668 10 30 AFEERN Cc1ccc2onc(CCS)c2c1 31888723 572443395 /nfs/dbraw/zinc/44/33/95/572443395.db2.gz RZFHAFCLHVEPDR-UHFFFAOYSA-N 0 0 193.271 2.609 10 30 AFEERN C=C(C(F)(F)F)C1(O)CC(C)(C)C1 307370247 572443735 /nfs/dbraw/zinc/44/37/35/572443735.db2.gz RSSXFXVFYIKUIE-UHFFFAOYSA-N 0 0 194.196 2.656 10 30 AFEERN C=CC[C@@]1(O)CCCC12CCC2 307326362 572444095 /nfs/dbraw/zinc/44/40/95/572444095.db2.gz HKYOLZCRZKJWTH-LLVKDONJSA-N 0 0 166.264 2.648 10 30 AFEERN C=CC[C@]1(O)CCCC12CCC2 307326363 572444137 /nfs/dbraw/zinc/44/41/37/572444137.db2.gz HKYOLZCRZKJWTH-NSHDSACASA-N 0 0 166.264 2.648 10 30 AFEERN C=CCOCOc1ccc(Cl)cc1 207199849 572444228 /nfs/dbraw/zinc/44/42/28/572444228.db2.gz KHEDFFSFAFEJMN-UHFFFAOYSA-N 0 0 198.649 2.879 10 30 AFEERN Cc1nc2cccc(C)n2c1[C@H](C)C#N 31915772 572444647 /nfs/dbraw/zinc/44/46/47/572444647.db2.gz GDXKZECGRXYZDJ-MRVPVSSYSA-N 0 0 199.257 2.578 10 30 AFEERN CCCC(=O)[C@@H](CC)CCC#N 238240971 572444664 /nfs/dbraw/zinc/44/46/64/572444664.db2.gz YQVGUYMYOQOVDO-VIFPVBQESA-N 0 0 167.252 2.686 10 30 AFEERN C=C1CC[C@@]2(C)[C@H]1C(=O)CC[C@H]2C 307349448 572445204 /nfs/dbraw/zinc/44/52/04/572445204.db2.gz ONJIMYDIHREVHM-YUSALJHKSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1ccc(-c2cc(C#N)cnc2C)o1 74238324 572445207 /nfs/dbraw/zinc/44/52/07/572445207.db2.gz UECZLROFZQGHBB-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN Cc1nc2c(C)cccn2c1[C@@H](C)C#N 31916047 572445232 /nfs/dbraw/zinc/44/52/32/572445232.db2.gz COSZAYWLMJUMGB-VIFPVBQESA-N 0 0 199.257 2.578 10 30 AFEERN Cc1nc2c(C)cccn2c1[C@H](C)C#N 31916050 572445245 /nfs/dbraw/zinc/44/52/45/572445245.db2.gz COSZAYWLMJUMGB-SECBINFHSA-N 0 0 199.257 2.578 10 30 AFEERN C=C[C@@H]1CCC[C@H]2CCC(=O)[C@@H]12 307367399 572445275 /nfs/dbraw/zinc/44/52/75/572445275.db2.gz MHEVBJUFVWCRAX-YWVKMMECSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@H](C)Nc1cn(C)nc1C(C)C 300923400 572445411 /nfs/dbraw/zinc/44/54/11/572445411.db2.gz ZYKNNRLHKGUKED-SECBINFHSA-N 0 0 193.294 2.530 10 30 AFEERN C[C@@H](C#N)c1cc(-c2ccccc2)no1 74238315 572445604 /nfs/dbraw/zinc/44/56/04/572445604.db2.gz HXZHYBRAPWVXHD-VIFPVBQESA-N 0 0 198.225 2.969 10 30 AFEERN CCc1cc(C#N)cnc1-c1ccco1 74238322 572445839 /nfs/dbraw/zinc/44/58/39/572445839.db2.gz RTPFYMVJRITZAJ-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN O=CC[C@@H](c1cccc(F)c1)C1CC1 107179079 572446499 /nfs/dbraw/zinc/44/64/99/572446499.db2.gz ZWKZCLDRLRMQGK-GFCCVEGCSA-N 0 0 192.233 2.908 10 30 AFEERN CCCCCCNC1=CCCCC1=O 238241434 572446655 /nfs/dbraw/zinc/44/66/55/572446655.db2.gz FIIYZGCOSSZYHQ-UHFFFAOYSA-N 0 0 195.306 2.793 10 30 AFEERN C=C[C@]1(C)C(=O)C[C@@H]1CCCC 238242138 572446793 /nfs/dbraw/zinc/44/67/93/572446793.db2.gz GJBHCOJCIQGZOV-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C)C[C@H](C)N[C@H](C#N)CC 83864428 572446975 /nfs/dbraw/zinc/44/69/75/572446975.db2.gz FGQHDUNGEHFJLY-DCAQKATOSA-N 0 0 182.311 2.703 10 30 AFEERN CC#CCNCc1ccsc1Cl 307326316 572446985 /nfs/dbraw/zinc/44/69/85/572446985.db2.gz MYJZBCNIOGOGAB-UHFFFAOYSA-N 0 0 199.706 2.514 10 30 AFEERN CC(C)C[C@@H](C=O)c1ccc(O)cc1 107179315 572447013 /nfs/dbraw/zinc/44/70/13/572447013.db2.gz RFTDJAJUIVLNNC-NSHDSACASA-N 0 0 192.258 2.721 10 30 AFEERN Cc1nc(CC#N)oc1-c1ccccc1 74238294 572447277 /nfs/dbraw/zinc/44/72/77/572447277.db2.gz PKKVEIRABCYAME-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN CC[C@H](CC=O)c1ccc(OC)cc1 107179299 572447316 /nfs/dbraw/zinc/44/73/16/572447316.db2.gz KXUJJICAQAKTKE-SNVBAGLBSA-N 0 0 192.258 2.778 10 30 AFEERN N#CCC1(COC2CCCC2)CC1 83862451 572447345 /nfs/dbraw/zinc/44/73/45/572447345.db2.gz PCTDXUZQVPBNCP-UHFFFAOYSA-N 0 0 179.263 2.639 10 30 AFEERN CCc1cc(-c2ccco2)c(C#N)cn1 74238325 572447382 /nfs/dbraw/zinc/44/73/82/572447382.db2.gz LQFXRGXRZMBFOT-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN CC(C)CCOCC1(CC#N)CC1 83862481 572447405 /nfs/dbraw/zinc/44/74/05/572447405.db2.gz NGZDVPXGAKCSAH-UHFFFAOYSA-N 0 0 181.279 2.743 10 30 AFEERN C[C@@H](CC[C@H]1CO1)[C@H](C)CC[C@@H]1CO1 245204965 572447422 /nfs/dbraw/zinc/44/74/22/572447422.db2.gz KCWDCHXBSZQKMX-BKUVIOGVSA-N 0 0 198.306 2.617 10 30 AFEERN CC[C@@H](CC=O)c1cccc(OC)c1 107179281 572447653 /nfs/dbraw/zinc/44/76/53/572447653.db2.gz YTXXTGAAZUSENW-JTQLQIEISA-N 0 0 192.258 2.778 10 30 AFEERN CC(C)(C#N)C[N@@H+]1CC(C)(C)C1(C)C 687828461 572447655 /nfs/dbraw/zinc/44/76/55/572447655.db2.gz NECZGXCWCAHSAS-UHFFFAOYSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)C[C@H](C=O)c1cccc(O)c1 107179311 572447699 /nfs/dbraw/zinc/44/76/99/572447699.db2.gz HHGIDQHUFSCBAP-LLVKDONJSA-N 0 0 192.258 2.721 10 30 AFEERN C[C@H](C#N)c1cc(-c2ccccc2)no1 74238317 572447772 /nfs/dbraw/zinc/44/77/72/572447772.db2.gz HXZHYBRAPWVXHD-SECBINFHSA-N 0 0 198.225 2.969 10 30 AFEERN CCCCCOCC1(CC#N)CC1 83862511 572447814 /nfs/dbraw/zinc/44/78/14/572447814.db2.gz GOSREBCJCHHRJM-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN CCc1ncc(C#N)cc1-c1ccco1 74238321 572447862 /nfs/dbraw/zinc/44/78/62/572447862.db2.gz CLFHYLFNOZSXPD-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN CC(C)[N@H+](CC(C)(C)C#N)C1CCC1 687828458 572447887 /nfs/dbraw/zinc/44/78/87/572447887.db2.gz FGKJQMOOGQOYND-UHFFFAOYSA-N 0 0 194.322 2.799 10 30 AFEERN CC(C)C[C@@H](C=O)c1cccc(O)c1 107179309 572447993 /nfs/dbraw/zinc/44/79/93/572447993.db2.gz HHGIDQHUFSCBAP-NSHDSACASA-N 0 0 192.258 2.721 10 30 AFEERN CCC(C)(C)OCC1(CC#N)CC1 83862502 572448089 /nfs/dbraw/zinc/44/80/89/572448089.db2.gz KVWUWYGFSJIQLV-UHFFFAOYSA-N 0 0 181.279 2.885 10 30 AFEERN C[C@H](CC[C@@H]1CO1)[C@H](C)CC[C@@H]1CO1 245204966 572448092 /nfs/dbraw/zinc/44/80/92/572448092.db2.gz KCWDCHXBSZQKMX-DDHJBXDOSA-N 0 0 198.306 2.617 10 30 AFEERN Cc1[nH]c2c(N)cccc2c1CCC#N 74215005 572448424 /nfs/dbraw/zinc/44/84/24/572448424.db2.gz LAPITLOSUNFBCC-UHFFFAOYSA-N 0 0 199.257 2.515 10 30 AFEERN C=C(COC)C1(O)CCC(C)(C)CC1 307372831 572448435 /nfs/dbraw/zinc/44/84/35/572448435.db2.gz VOJWYFRHBVTPIF-UHFFFAOYSA-N 0 0 198.306 2.520 10 30 AFEERN CC[C@H](C)C[C@@H](C)N[C@H](C#N)CC 83864426 572448991 /nfs/dbraw/zinc/44/89/91/572448991.db2.gz FGQHDUNGEHFJLY-AXFHLTTASA-N 0 0 182.311 2.703 10 30 AFEERN CC1(C)CCCN(C(C)(C)C)[C@H]1C#N 32221110 572449094 /nfs/dbraw/zinc/44/90/94/572449094.db2.gz DTFJGSOLMACHNV-JTQLQIEISA-N 0 0 194.322 2.799 10 30 AFEERN CC1(C)CCCN(C(C)(C)C)[C@@H]1C#N 32221111 572449216 /nfs/dbraw/zinc/44/92/16/572449216.db2.gz DTFJGSOLMACHNV-SNVBAGLBSA-N 0 0 194.322 2.799 10 30 AFEERN C=C[C@@]1(C)C(=O)C[C@@H]1CCCC 238242215 572449280 /nfs/dbraw/zinc/44/92/80/572449280.db2.gz GJBHCOJCIQGZOV-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)C[C@H](C=O)c1ccccc1O 107179305 572449334 /nfs/dbraw/zinc/44/93/34/572449334.db2.gz LAQQPZZTUDGSCF-SNVBAGLBSA-N 0 0 192.258 2.721 10 30 AFEERN C#C[C@H](CCC)[C@@H](O)c1ccccc1 238242066 572449439 /nfs/dbraw/zinc/44/94/39/572449439.db2.gz OWVPSTMOOUWGTR-DGCLKSJQSA-N 0 0 188.270 2.770 10 30 AFEERN O=CC[C@H](c1ccccc1F)C1CC1 107179088 572449717 /nfs/dbraw/zinc/44/97/17/572449717.db2.gz DBWKDTNRUGLRDD-JTQLQIEISA-N 0 0 192.233 2.908 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@H]1[C@H](C)O 307385279 572449830 /nfs/dbraw/zinc/44/98/30/572449830.db2.gz KEIHLNXAGKCCKG-RCWTZXSCSA-N 0 0 168.280 2.606 10 30 AFEERN C[C@H](CC[C@H]1CO1)[C@H](C)CC[C@@H]1CO1 245204967 572450007 /nfs/dbraw/zinc/45/00/07/572450007.db2.gz KCWDCHXBSZQKMX-KKOKHZNYSA-N 0 0 198.306 2.617 10 30 AFEERN C#CC[C@@](C)(O)[C@H]1CC2CCC1CC2 307396416 572450108 /nfs/dbraw/zinc/45/01/08/572450108.db2.gz OTAAHNLOMYTPJG-IFWUJCSASA-N 0 0 192.302 2.587 10 30 AFEERN CCC#CCC/C=C(/C)CCO 238243648 572450562 /nfs/dbraw/zinc/45/05/62/572450562.db2.gz OYPUQEQQJALCLZ-FLIBITNWSA-N 0 0 166.264 2.509 10 30 AFEERN C=CC[C@@H](O)C(C)(C)CC#CCC 238243604 572450970 /nfs/dbraw/zinc/45/09/70/572450970.db2.gz JPOYUBJFQJKVRB-LLVKDONJSA-N 0 0 180.291 2.753 10 30 AFEERN C#CCC[C@@H](O)[C@H](CC)CC(C)C 308031135 572451174 /nfs/dbraw/zinc/45/11/74/572451174.db2.gz OKTLLEKDDOJISX-VXGBXAGGSA-N 0 0 182.307 2.833 10 30 AFEERN C[C@@H]1C#CCCCCC(=O)CC1 221786831 572451179 /nfs/dbraw/zinc/45/11/79/572451179.db2.gz YSUGKWATSHDWNO-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN C#CCC[C@@H](O)[C@@H](CC)CC(C)C 308031130 572451196 /nfs/dbraw/zinc/45/11/96/572451196.db2.gz OKTLLEKDDOJISX-NWDGAFQWSA-N 0 0 182.307 2.833 10 30 AFEERN C#Cc1nccc2cccc(C)c12 307312629 572451464 /nfs/dbraw/zinc/45/14/64/572451464.db2.gz RXRWAPSNQVLQPI-UHFFFAOYSA-N 0 0 167.211 2.525 10 30 AFEERN C/C=C/C[C@H](O)C#CCCCCC 238245437 572451603 /nfs/dbraw/zinc/45/16/03/572451603.db2.gz RYDKFQIXYPCEJR-FUEXJSSKSA-N 0 0 180.291 2.897 10 30 AFEERN C=C(CCCCC)[C@@H](O)C#CC 238247111 572451790 /nfs/dbraw/zinc/45/17/90/572451790.db2.gz QSIMLYPOWRFIFS-NSHDSACASA-N 0 0 166.264 2.507 10 30 AFEERN CCCCCC#CC[C@H](O)CCC#N 238244941 572451938 /nfs/dbraw/zinc/45/19/38/572451938.db2.gz CPNIDIQBEBIFOH-LBPRGKRZSA-N 0 0 193.290 2.625 10 30 AFEERN CCCO[C@@H](C#N)c1ccccc1 238244998 572451944 /nfs/dbraw/zinc/45/19/44/572451944.db2.gz NIWLGQZOKFGXID-NSHDSACASA-N 0 0 175.231 2.678 10 30 AFEERN CCCCSC[C@@](C)(Cl)C=O 238247136 572452111 /nfs/dbraw/zinc/45/21/11/572452111.db2.gz MERVHRNAOGFHLS-QMMMGPOBSA-N 0 0 194.727 2.716 10 30 AFEERN CCC(=O)c1cc2ccc(C#N)cc2[nH]1 238247748 572452140 /nfs/dbraw/zinc/45/21/40/572452140.db2.gz AFPADXZZXMSKNY-UHFFFAOYSA-N 0 0 198.225 2.632 10 30 AFEERN C=C(C)[C@H]1CC(C)=C[C@@H](CCO)C1 307317175 572452218 /nfs/dbraw/zinc/45/22/18/572452218.db2.gz KHDHRBNPZTXXKF-NEPJUHHUSA-N 0 0 180.291 2.917 10 30 AFEERN CCC/C=C/C(=O)[C@H](CO)CCCC 90416809 572452238 /nfs/dbraw/zinc/45/22/38/572452238.db2.gz AUMGTTQMNQSQNC-DJYGCBNOSA-N 0 0 198.306 2.711 10 30 AFEERN C#CCC[C@H](O)[C@H](CC)CC(C)C 308031128 572452242 /nfs/dbraw/zinc/45/22/42/572452242.db2.gz OKTLLEKDDOJISX-NEPJUHHUSA-N 0 0 182.307 2.833 10 30 AFEERN CCCCCC#CC/C=C/CCO 238245036 572452254 /nfs/dbraw/zinc/45/22/54/572452254.db2.gz VYPLARZLITUVEH-MDZDMXLPSA-N 0 0 180.291 2.899 10 30 AFEERN C=C(CC)CNc1cc(N)ccc1C 307302502 572452259 /nfs/dbraw/zinc/45/22/59/572452259.db2.gz NIYRFRVJPKWMQK-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN CCCCCC#C/C=C(/CC)CO 238246604 572452263 /nfs/dbraw/zinc/45/22/63/572452263.db2.gz CTYHCXBIAGEWHV-BENRWUELSA-N 0 0 180.291 2.899 10 30 AFEERN CCCCCC#CC[C@H]1C[C@H]1C=O 238245011 572452305 /nfs/dbraw/zinc/45/23/05/572452305.db2.gz GLMWZKIJWXZEPI-RYUDHWBXSA-N 0 0 178.275 2.795 10 30 AFEERN C=CCn1c(Cl)nc2ccccc21 32683375 572452387 /nfs/dbraw/zinc/45/23/87/572452387.db2.gz CRWIMOOPMHTIPO-UHFFFAOYSA-N 0 0 192.649 2.876 10 30 AFEERN CCCCSC[C@](C)(Cl)C=O 238247404 572452429 /nfs/dbraw/zinc/45/24/29/572452429.db2.gz MERVHRNAOGFHLS-MRVPVSSYSA-N 0 0 194.727 2.716 10 30 AFEERN CCC[C@H](C#C[Si](C)(C)C)[C@@H](C)O 307386305 572452522 /nfs/dbraw/zinc/45/25/22/572452522.db2.gz APLHTYVNVLYQMM-GHMZBOCLSA-N 0 0 198.382 2.664 10 30 AFEERN C=C(C)[C@H](O)C#CCCCCC 238245279 572452569 /nfs/dbraw/zinc/45/25/69/572452569.db2.gz MPLYEUULQKGMBY-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN CCC[C@@](C#N)(C(C)=O)C(C)C 238249994 572452754 /nfs/dbraw/zinc/45/27/54/572452754.db2.gz AQEZENGIHRNFKK-JTQLQIEISA-N 0 0 167.252 2.541 10 30 AFEERN CCCCCC#C/C=C(/C)CO 238246590 572453036 /nfs/dbraw/zinc/45/30/36/572453036.db2.gz MEALMAZENDHNLN-LUAWRHEFSA-N 0 0 166.264 2.509 10 30 AFEERN C=C(CCCCC)C[C@H](C)O 238247054 572453391 /nfs/dbraw/zinc/45/33/91/572453391.db2.gz KTDSGQGQDSRZRG-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN C#CCC[C@H](O)[C@@H](CC)CC(C)C 308031133 572454119 /nfs/dbraw/zinc/45/41/19/572454119.db2.gz OKTLLEKDDOJISX-RYUDHWBXSA-N 0 0 182.307 2.833 10 30 AFEERN CCCCCC#CC[C@H](O)CC 238244932 572454141 /nfs/dbraw/zinc/45/41/41/572454141.db2.gz RPFBHNYGRAKXTC-LLVKDONJSA-N 0 0 168.280 2.731 10 30 AFEERN CCC[C@H](C)/N=C/c1ccccc1O 238245441 572454342 /nfs/dbraw/zinc/45/43/42/572454342.db2.gz BHRVUDMAFXPMAK-YWEFTTLKSA-N 0 0 191.274 3.000 10 30 AFEERN C=C(CCCCC)[C@H](O)C#CC 238247152 572454367 /nfs/dbraw/zinc/45/43/67/572454367.db2.gz QSIMLYPOWRFIFS-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN C=C(C)C[C@H](O)C#CCCCCC 238245391 572454326 /nfs/dbraw/zinc/45/43/26/572454326.db2.gz KXJZJVBSLSTRGR-GFCCVEGCSA-N 0 0 180.291 2.897 10 30 AFEERN CCCCCC#CC[C@H]1C[C@@H]1C=O 238245001 572454451 /nfs/dbraw/zinc/45/44/51/572454451.db2.gz GLMWZKIJWXZEPI-NWDGAFQWSA-N 0 0 178.275 2.795 10 30 AFEERN C=C[C@H]1CC(=O)[C@@H](CCCC)C1 238245043 572454555 /nfs/dbraw/zinc/45/45/55/572454555.db2.gz JJTYJLAWHGFLNR-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CCCCC)C[C@@H](C)O 238247043 572454628 /nfs/dbraw/zinc/45/46/28/572454628.db2.gz KTDSGQGQDSRZRG-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN C=C=C(CCCC)[C@@H](O)C#CCC 90425056 572454952 /nfs/dbraw/zinc/45/49/52/572454952.db2.gz RLPDSDLJUCLCCA-LBPRGKRZSA-N 0 0 178.275 2.662 10 30 AFEERN Cc1cccnc1C#Cc1ccccc1 90399163 572455135 /nfs/dbraw/zinc/45/51/35/572455135.db2.gz KEKSJWYNZNCANZ-UHFFFAOYSA-N 0 0 193.249 2.790 10 30 AFEERN C[C@H]1C#CCCCCC(=O)CC1 221786782 572455582 /nfs/dbraw/zinc/45/55/82/572455582.db2.gz YSUGKWATSHDWNO-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN C=CC[C@H](CO)CC(C)(C)CC 713251989 572455887 /nfs/dbraw/zinc/45/58/87/572455887.db2.gz XRUJXJUABXWTEH-JTQLQIEISA-N 0 0 170.296 2.997 10 30 AFEERN C=CC[C@@H]1C(=O)[C@@H]2CCCC[C@H]12 307339471 572456119 /nfs/dbraw/zinc/45/61/19/572456119.db2.gz TWWFWZSXAWTSAZ-KXUCPTDWSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)/C(C)=C/[C@H](C)C(C)=O 307310267 572456148 /nfs/dbraw/zinc/45/61/48/572456148.db2.gz FTMWPEYBGCEKCX-ORZBULNSSA-N 0 0 152.237 2.734 10 30 AFEERN C/C=C/C=C/C#C/C=C/[C@H](O)CCC 238252166 572456180 /nfs/dbraw/zinc/45/61/80/572456180.db2.gz FZPXPMLIFZJOGH-XVKRCYMJSA-N 0 0 190.286 2.839 10 30 AFEERN C=C(C)/C(C)=C/[C@@H](C)C(C)=O 307310266 572456356 /nfs/dbraw/zinc/45/63/56/572456356.db2.gz FTMWPEYBGCEKCX-BNICOGTQSA-N 0 0 152.237 2.734 10 30 AFEERN CC(C)CN[C@@H](C#N)CC(C)(C)C 61840141 572456448 /nfs/dbraw/zinc/45/64/48/572456448.db2.gz OCHGTGPDYGYVQY-SNVBAGLBSA-N 0 0 182.311 2.560 10 30 AFEERN C/C=C\[C@@H](C#N)Nc1ccccc1 308028199 572456522 /nfs/dbraw/zinc/45/65/22/572456522.db2.gz YYUXLHYVRNGXRV-ZYVOWACSSA-N 0 0 172.231 2.567 10 30 AFEERN C=C[C@@H](C)Sc1nc(C)co1 307312190 572456749 /nfs/dbraw/zinc/45/67/49/572456749.db2.gz JHESUZICJQMQEC-SSDOTTSWSA-N 0 0 169.249 2.650 10 30 AFEERN C#C[C@H](O)C(=C=C)CCCCCC 90430817 572456838 /nfs/dbraw/zinc/45/68/38/572456838.db2.gz AFXPBEMTURREOC-LBPRGKRZSA-N 0 0 178.275 2.662 10 30 AFEERN C#C[C@@H](O)CC(=C=C)CCCCC 90429458 572456922 /nfs/dbraw/zinc/45/69/22/572456922.db2.gz YQLJUDQJFSXJFH-GFCCVEGCSA-N 0 0 178.275 2.662 10 30 AFEERN C/C=C\[C@H](C#N)Nc1ccccc1 308028198 572457647 /nfs/dbraw/zinc/45/76/47/572457647.db2.gz YYUXLHYVRNGXRV-WPPTZLTKSA-N 0 0 172.231 2.567 10 30 AFEERN C=CCC[C@@H]1C(=O)[C@@H]2CC[C@H]1C2 307340861 572457676 /nfs/dbraw/zinc/45/76/76/572457676.db2.gz UGNBLIPCXISEAN-AEJSXWLSSA-N 0 0 164.248 2.568 10 30 AFEERN CCCC[C@]1(C=O)C[C@H]2C=C[C@@H]1C2 238255449 572458137 /nfs/dbraw/zinc/45/81/37/572458137.db2.gz GGAASIZRGSWTPS-QJPTWQEYSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@H](CO)CC(C)(C)CC 713251993 572457985 /nfs/dbraw/zinc/45/79/85/572457985.db2.gz XRUJXJUABXWTEH-SNVBAGLBSA-N 0 0 170.296 2.997 10 30 AFEERN C[C@H]1CCCC2=C1CCCC2=O 196792602 572458398 /nfs/dbraw/zinc/45/83/98/572458398.db2.gz SGABLWWRSJXXSS-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C=C(C)C#C/C(Cl)=C/Cl 222169611 572458474 /nfs/dbraw/zinc/45/84/74/572458474.db2.gz VLCHCLSBOMWORL-ALCCZGGFSA-N 0 0 161.031 2.885 10 30 AFEERN C=C(C)[C@@H](O)c1cc(C)cs1 307320280 572458588 /nfs/dbraw/zinc/45/85/88/572458588.db2.gz OREUOVGERORKPM-SECBINFHSA-N 0 0 168.261 2.666 10 30 AFEERN CC1(C)CCC1=NOC/C=C\Cl 308028353 572458630 /nfs/dbraw/zinc/45/86/30/572458630.db2.gz HZJNIFKMVUCUHQ-MVCZCJKUSA-N 0 0 187.670 2.932 10 30 AFEERN C#C[C@@H](O)C(=C=C)CCCCCC 90430818 572459050 /nfs/dbraw/zinc/45/90/50/572459050.db2.gz AFXPBEMTURREOC-GFCCVEGCSA-N 0 0 178.275 2.662 10 30 AFEERN C=CC(=O)CSc1ccccc1 83944402 572459068 /nfs/dbraw/zinc/45/90/68/572459068.db2.gz MWHNNBRYIUQZPY-UHFFFAOYSA-N 0 0 178.256 2.534 10 30 AFEERN C=C(C)[C@@H](C(C)=O)C(C)(C)C 196787371 572459089 /nfs/dbraw/zinc/45/90/89/572459089.db2.gz GMHBKFMJUSTBDI-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN C[Si](C)(C)C#C[C@@H]1CCCCC1=O 307355124 572459127 /nfs/dbraw/zinc/45/91/27/572459127.db2.gz TVURQDQXRFLDPL-JTQLQIEISA-N 0 0 194.350 2.627 10 30 AFEERN C[C@@H]1CCCC2=C1CCCC2=O 196792587 572459298 /nfs/dbraw/zinc/45/92/98/572459298.db2.gz SGABLWWRSJXXSS-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN C=CCCC(=O)CCC[C@H](O)CCC 238255121 572459545 /nfs/dbraw/zinc/45/95/45/572459545.db2.gz JNBPSNXVKIJSKV-LLVKDONJSA-N 0 0 198.306 2.853 10 30 AFEERN CC1(C)CCC1=NOC/C=C/Cl 308028359 572459702 /nfs/dbraw/zinc/45/97/02/572459702.db2.gz HZJNIFKMVUCUHQ-ULGALBEWSA-N 0 0 187.670 2.932 10 30 AFEERN CCCC[C@](C=O)(CC)CCC=O 238253384 572460068 /nfs/dbraw/zinc/46/00/68/572460068.db2.gz GFCKVZLUTUAPCD-LLVKDONJSA-N 0 0 184.279 2.751 10 30 AFEERN C=C1CC[C@H]2[C@H](C1)C(=O)CC[C@H]2C 307325298 572460861 /nfs/dbraw/zinc/46/08/61/572460861.db2.gz GFYYMYWILBGLAO-MXWKQRLJSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC(=O)CSC1CCCCC1 83944393 572461080 /nfs/dbraw/zinc/46/10/80/572461080.db2.gz ISOGJTXILZYQAL-UHFFFAOYSA-N 0 0 184.304 2.807 10 30 AFEERN C=C[C@@H](C)C[C@H](C)CCCO 214828555 572461330 /nfs/dbraw/zinc/46/13/30/572461330.db2.gz KMVGYYSHIBIVHT-NXEZZACHSA-N 0 0 156.269 2.607 10 30 AFEERN CCCC[C@](CC)(CO)CCC#N 238253648 572461403 /nfs/dbraw/zinc/46/14/03/572461403.db2.gz HLGFYWXFNBTQTD-NSHDSACASA-N 0 0 183.295 2.869 10 30 AFEERN C=C[C@H](C)C[C@H](C)CCCO 214828463 572461676 /nfs/dbraw/zinc/46/16/76/572461676.db2.gz KMVGYYSHIBIVHT-VHSXEESVSA-N 0 0 156.269 2.607 10 30 AFEERN C=C(C)C[C@@]1(CO)CCC=C1OCC 238254361 572462130 /nfs/dbraw/zinc/46/21/30/572462130.db2.gz ARAFRJYGNRUWPV-GFCCVEGCSA-N 0 0 196.290 2.646 10 30 AFEERN C=C(C)[C@@H](O)[C@H]1CCCC(F)(F)C1 300902999 572462318 /nfs/dbraw/zinc/46/23/18/572462318.db2.gz CLMXUFCKALQIRW-DTWKUNHWSA-N 0 0 190.233 2.749 10 30 AFEERN CCO[C@@H](C=C(C)C)C(C)(C)C=O 238254472 572462387 /nfs/dbraw/zinc/46/23/87/572462387.db2.gz YWLJTYXXYADMJS-JTQLQIEISA-N 0 0 184.279 2.583 10 30 AFEERN C=C1C[C@H]2CC(=O)[C@]23CCCC[C@H]13 307383106 572462397 /nfs/dbraw/zinc/46/23/97/572462397.db2.gz HGRYTQVDLLULPD-HOSYDEDBSA-N 0 0 176.259 2.712 10 30 AFEERN N#CCCc1scc2c1CCS2 74243067 572462469 /nfs/dbraw/zinc/46/24/69/572462469.db2.gz ZAICXKAOAWPATF-UHFFFAOYSA-N 0 0 195.312 2.852 10 30 AFEERN C=C(C)C[C@]1(CO)CCC=C1OCC 238254320 572462492 /nfs/dbraw/zinc/46/24/92/572462492.db2.gz ARAFRJYGNRUWPV-LBPRGKRZSA-N 0 0 196.290 2.646 10 30 AFEERN C=CCC(=C)C[C@H](O)CCC 238254599 572462552 /nfs/dbraw/zinc/46/25/52/572462552.db2.gz XDWCDJUWLWFEKO-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN CCCC[C@](N)(C#N)c1ccccc1 238254017 572462780 /nfs/dbraw/zinc/46/27/80/572462780.db2.gz MYPZJRVFQHDMRO-LBPRGKRZSA-N 0 0 188.274 2.554 10 30 AFEERN C=C(C)[C@H]1OC(C)(C)C[C@@]1(C)[C@@H](C)O 307307189 572462840 /nfs/dbraw/zinc/46/28/40/572462840.db2.gz YVODWETXRBSDLL-FOGDFJRCSA-N 0 0 198.306 2.517 10 30 AFEERN C=C[C@@H](C)C[C@@H](C)CCCO 214828508 572462946 /nfs/dbraw/zinc/46/29/46/572462946.db2.gz KMVGYYSHIBIVHT-ZJUUUORDSA-N 0 0 156.269 2.607 10 30 AFEERN C=C(C[C@H](O)CCC)C(C)C 238254540 572463003 /nfs/dbraw/zinc/46/30/03/572463003.db2.gz FKHPMHBCTUPGRZ-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN COc1cc(C)cc(CC#N)c1Cl 214831001 572463648 /nfs/dbraw/zinc/46/36/48/572463648.db2.gz NNDFWHFTGUZJAG-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN Cc1nc(CC[C@@H](C)C=O)sc1C 87397487 572463874 /nfs/dbraw/zinc/46/38/74/572463874.db2.gz FUIMHDRGUAFWDE-SSDOTTSWSA-N 0 0 197.303 2.528 10 30 AFEERN C=C[C@@H](O)[C@H](C)[C@H]1CC=C(C)CC1 307357805 572464263 /nfs/dbraw/zinc/46/42/63/572464263.db2.gz XGYANCGRNWFBND-GRYCIOLGSA-N 0 0 180.291 2.916 10 30 AFEERN C=C(C)CN[C@H]1CCCCC1(F)F 307381971 572464313 /nfs/dbraw/zinc/46/43/13/572464313.db2.gz ARVTYDHZURAWPK-VIFPVBQESA-N 0 0 189.249 2.730 10 30 AFEERN C/C=C/C#CC#CCC[C@H](O)CCC 238254977 572464440 /nfs/dbraw/zinc/46/44/40/572464440.db2.gz SNDZBXONXVYAQC-MASHWEEQSA-N 0 0 190.286 2.511 10 30 AFEERN Cc1cc(O)c(Cl)c(C)c1CC#N 214830713 572464968 /nfs/dbraw/zinc/46/49/68/572464968.db2.gz LLKBWAPPVLKHNF-UHFFFAOYSA-N 0 0 195.649 2.729 10 30 AFEERN CCCCCCC1=CC(=O)C1 90434318 572465023 /nfs/dbraw/zinc/46/50/23/572465023.db2.gz GSBYNCPDTUBGDG-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CCC[C@@H](O)CCC#C[Si](C)(C)C 238254989 572465113 /nfs/dbraw/zinc/46/51/13/572465113.db2.gz HDKLSZCVUKEOMC-LLVKDONJSA-N 0 0 198.382 2.808 10 30 AFEERN CCO[C@@H](CC=O)C1CCCCC1 238256274 572465117 /nfs/dbraw/zinc/46/51/17/572465117.db2.gz ZESOEVUZVNHTQT-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN CC#CCC[C@@H](C)C[C@H](O)CCC 238256088 572465306 /nfs/dbraw/zinc/46/53/06/572465306.db2.gz LWOKAPNFCSCIHK-VXGBXAGGSA-N 0 0 182.307 2.977 10 30 AFEERN C=CC[C@H](OCC)C(=C)CCC=O 238256167 572465359 /nfs/dbraw/zinc/46/53/59/572465359.db2.gz YQWKDSJXWOKZJW-NSHDSACASA-N 0 0 182.263 2.503 10 30 AFEERN C=C(CO)[C@H]1C[C@@H]2C[C@]2(C)C1(C)C 307308505 572465461 /nfs/dbraw/zinc/46/54/61/572465461.db2.gz AFUAYEBVURFMIE-FOGDFJRCSA-N 0 0 180.291 2.607 10 30 AFEERN COc1c(C)ccc(CC#N)c1Cl 214831280 572465577 /nfs/dbraw/zinc/46/55/77/572465577.db2.gz FRUNSGLFNHSDME-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN Cc1nc(CC[C@H](C)C=O)sc1C 87397488 572465688 /nfs/dbraw/zinc/46/56/88/572465688.db2.gz FUIMHDRGUAFWDE-ZETCQYMHSA-N 0 0 197.303 2.528 10 30 AFEERN Cc1cc(C)c(CC#N)c(O)c1Cl 214830636 572465679 /nfs/dbraw/zinc/46/56/79/572465679.db2.gz OGHIAZQCXDTNDE-UHFFFAOYSA-N 0 0 195.649 2.729 10 30 AFEERN COc1cc(Cl)c(C)c(CC#N)c1 214830933 572465709 /nfs/dbraw/zinc/46/57/09/572465709.db2.gz KNBHKXJOPDKAFX-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN COc1cc(Cl)cc(CC#N)c1C 214830564 572465722 /nfs/dbraw/zinc/46/57/22/572465722.db2.gz KVUTYPREFXROGQ-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN CCC[C@H](C)[C@@H](C#N)C(=O)CC 238257394 572465727 /nfs/dbraw/zinc/46/57/27/572465727.db2.gz UZDCHAREVATPSE-DTWKUNHWSA-N 0 0 167.252 2.541 10 30 AFEERN CCc1cc(Cl)c(O)c(CC#N)c1 214830785 572465787 /nfs/dbraw/zinc/46/57/87/572465787.db2.gz FHFKXDUVQPTTGE-UHFFFAOYSA-N 0 0 195.649 2.674 10 30 AFEERN Cc1cc(CC#N)c(O)c(Cl)c1C 214831212 572465862 /nfs/dbraw/zinc/46/58/62/572465862.db2.gz CHCZBMAIAVRVAU-UHFFFAOYSA-N 0 0 195.649 2.729 10 30 AFEERN Cc1cc(Cl)c(O)c(CC#N)c1C 214831143 572466133 /nfs/dbraw/zinc/46/61/33/572466133.db2.gz AWBAPCNSBKBXHF-UHFFFAOYSA-N 0 0 195.649 2.729 10 30 AFEERN O=CCCCc1ccnc2ccccc12 83951907 572466745 /nfs/dbraw/zinc/46/67/45/572466745.db2.gz KPJJLZDKCIIRTE-UHFFFAOYSA-N 0 0 199.253 2.756 10 30 AFEERN C=CCn1cc(C=O)c2cc(C)ccc21 76815679 572466921 /nfs/dbraw/zinc/46/69/21/572466921.db2.gz WFMJNQHEHVCOEC-UHFFFAOYSA-N 0 0 199.253 2.948 10 30 AFEERN C=CCNC(=O)[C@H](CC)[C@@H](C)CCC 238257698 572467075 /nfs/dbraw/zinc/46/70/75/572467075.db2.gz FCYLTEBNONIKCA-WDEREUQCSA-N 0 0 197.322 2.751 10 30 AFEERN Cc1nc(CC(C)(C)C)sc1C#N 74245684 572467434 /nfs/dbraw/zinc/46/74/34/572467434.db2.gz MNBZMNFTNWGQRN-UHFFFAOYSA-N 0 0 194.303 2.912 10 30 AFEERN C=C1C[C@]23CCC[C@@H]2CCC(=O)[C@H]13 307344937 572467498 /nfs/dbraw/zinc/46/74/98/572467498.db2.gz KGMWAMPGXROWNW-ADEWGFFLSA-N 0 0 176.259 2.712 10 30 AFEERN O=CCCCc1ccc2ccccc2n1 83951906 572467605 /nfs/dbraw/zinc/46/76/05/572467605.db2.gz CSYMGUDRDLOJGQ-UHFFFAOYSA-N 0 0 199.253 2.756 10 30 AFEERN C=CC(=C)C[C@H](O)[C@H](C)CCC 238258538 572467749 /nfs/dbraw/zinc/46/77/49/572467749.db2.gz ILEIVICQNLSORA-MNOVXSKESA-N 0 0 168.280 2.916 10 30 AFEERN C=CC(=C)C[C@H](O)[C@@H](C)CCC 238258385 572467761 /nfs/dbraw/zinc/46/77/61/572467761.db2.gz ILEIVICQNLSORA-QWRGUYRKSA-N 0 0 168.280 2.916 10 30 AFEERN C#CC[C@](C)(O)[C@H]1CC2CCC1CC2 307396418 572468203 /nfs/dbraw/zinc/46/82/03/572468203.db2.gz OTAAHNLOMYTPJG-TYUFSLCMSA-N 0 0 192.302 2.587 10 30 AFEERN C=CC#C[C@H](CCC)[C@H](O)CCC 238257312 572468267 /nfs/dbraw/zinc/46/82/67/572468267.db2.gz DSYJUFSMZBZIOU-NWDGAFQWSA-N 0 0 180.291 2.753 10 30 AFEERN C#C[C@](C)(CC)n1c(C)ccc1C 307361957 572468836 /nfs/dbraw/zinc/46/88/36/572468836.db2.gz FUXSGOBWTWUYGO-GFCCVEGCSA-N 0 0 175.275 2.863 10 30 AFEERN C=C(C)[C@H](O)[C@H]1CCCC[C@H]1C 307329330 572469021 /nfs/dbraw/zinc/46/90/21/572469021.db2.gz LJDUKGXTMIUVON-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C[C@@H]1CCC[C@H]2C[C@H]2C1=O 307382349 572469230 /nfs/dbraw/zinc/46/92/30/572469230.db2.gz BOYHBOBOVYMPOF-GARJFASQSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)/C=C/c1cc(O)c(C)cc1O 307397782 572469298 /nfs/dbraw/zinc/46/92/98/572469298.db2.gz ROQGCGDFWNHGNT-SNAWJCMRSA-N 0 0 190.242 2.996 10 30 AFEERN CCC[C@@H](C)[C@@H](C#N)C(=O)CC 238257676 572469629 /nfs/dbraw/zinc/46/96/29/572469629.db2.gz UZDCHAREVATPSE-RKDXNWHRSA-N 0 0 167.252 2.541 10 30 AFEERN C=C(C)C[C@@H]1C(=O)C[C@@H]2CCC[C@@H]21 307371193 572469869 /nfs/dbraw/zinc/46/98/69/572469869.db2.gz PPZXOYWZTINPCL-DCAQKATOSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCNC(=O)[C@H](CC)[C@H](C)CCC 238257920 572470114 /nfs/dbraw/zinc/47/01/14/572470114.db2.gz FCYLTEBNONIKCA-GHMZBOCLSA-N 0 0 197.322 2.751 10 30 AFEERN C=CC[C@@H](O)[C@@H](CC)CC(C)C 308038724 572470374 /nfs/dbraw/zinc/47/03/74/572470374.db2.gz XWGQRLIMZNRBKI-WDEREUQCSA-N 0 0 170.296 2.996 10 30 AFEERN C=C(C)[C@H](O)[C@H](CC)CC(C)C 308038313 572470683 /nfs/dbraw/zinc/47/06/83/572470683.db2.gz XGJVVEQVRXGCBN-MNOVXSKESA-N 0 0 170.296 2.996 10 30 AFEERN C=C(C)[C@H]1CC(C)=C[C@H](CCO)C1 307317177 572470909 /nfs/dbraw/zinc/47/09/09/572470909.db2.gz KHDHRBNPZTXXKF-RYUDHWBXSA-N 0 0 180.291 2.917 10 30 AFEERN CCC#C[C@H](CCC)[C@H](O)CCC 238257321 572471001 /nfs/dbraw/zinc/47/10/01/572471001.db2.gz OZMXVJNTMHSTOK-NWDGAFQWSA-N 0 0 182.307 2.977 10 30 AFEERN C=C1[C@@H](CC)[C@@]12CCCCC[C@H]2O 307326438 572471295 /nfs/dbraw/zinc/47/12/95/572471295.db2.gz UDJOMZGNECOXBO-IJLUTSLNSA-N 0 0 180.291 2.894 10 30 AFEERN C=CC[C@H](O)[C@@H](CC)CC(C)C 308038723 572471324 /nfs/dbraw/zinc/47/13/24/572471324.db2.gz XWGQRLIMZNRBKI-QWRGUYRKSA-N 0 0 170.296 2.996 10 30 AFEERN Cc1ccc(-c2cc(C#N)n[nH]2)c(C)c1 76819643 572471479 /nfs/dbraw/zinc/47/14/79/572471479.db2.gz XCDBPEXMRQZQEV-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN CCC#C[C@@H](CCC)[C@H](O)CCC 238259402 572475152 /nfs/dbraw/zinc/47/51/52/572475152.db2.gz OZMXVJNTMHSTOK-VXGBXAGGSA-N 0 0 182.307 2.977 10 30 AFEERN C#CC[C@@](C)(O)[C@@H]1CC2CCC1CC2 307396415 572471664 /nfs/dbraw/zinc/47/16/64/572471664.db2.gz OTAAHNLOMYTPJG-FIYWTHMPSA-N 0 0 192.302 2.587 10 30 AFEERN C=C(C)CN(C)c1ccc(C)cc1N 307369831 572471680 /nfs/dbraw/zinc/47/16/80/572471680.db2.gz RGHFMLNZMWULTM-UHFFFAOYSA-N 0 0 190.290 2.590 10 30 AFEERN CCSc1ccc(Cl)nc1C#N 34089308 572471693 /nfs/dbraw/zinc/47/16/93/572471693.db2.gz HAPFTRYKTLUJID-UHFFFAOYSA-N 0 0 198.678 2.719 10 30 AFEERN C=CC[C@@H](O)[C@H](CC)CC(C)C 308038721 572471712 /nfs/dbraw/zinc/47/17/12/572471712.db2.gz XWGQRLIMZNRBKI-GHMZBOCLSA-N 0 0 170.296 2.996 10 30 AFEERN C#CCCSc1ccncc1C 307324664 572471754 /nfs/dbraw/zinc/47/17/54/572471754.db2.gz DVHJREJGLHTLRX-UHFFFAOYSA-N 0 0 177.272 2.505 10 30 AFEERN C=C[C@H](C)Nc1cc(OC)ccc1C 300939902 572475086 /nfs/dbraw/zinc/47/50/86/572475086.db2.gz XOTHQXUQJZGYAE-JTQLQIEISA-N 0 0 191.274 2.990 10 30 AFEERN C=CC[C@H](O)[C@H](CC)CC(C)C 308038722 572472195 /nfs/dbraw/zinc/47/21/95/572472195.db2.gz XWGQRLIMZNRBKI-MNOVXSKESA-N 0 0 170.296 2.996 10 30 AFEERN C=CCC[C@@H](C)NC(=O)[C@H](C)CC 238260321 572472196 /nfs/dbraw/zinc/47/21/96/572472196.db2.gz PVSICLMJMXAKCF-NXEZZACHSA-N 0 0 183.295 2.503 10 30 AFEERN C=C(C)[C@@H](O)[C@H](CC)CC(C)C 308038312 572472207 /nfs/dbraw/zinc/47/22/07/572472207.db2.gz XGJVVEQVRXGCBN-GHMZBOCLSA-N 0 0 170.296 2.996 10 30 AFEERN C=C(Cl)C[C@@H](O)c1ccc(C)o1 33966204 572472610 /nfs/dbraw/zinc/47/26/10/572472610.db2.gz VDLURQGGUWQRNS-MRVPVSSYSA-N 0 0 186.638 2.764 10 30 AFEERN C=C(C)[C@H](O)[C@@H](CC)CC(C)C 308038314 572472613 /nfs/dbraw/zinc/47/26/13/572472613.db2.gz XGJVVEQVRXGCBN-QWRGUYRKSA-N 0 0 170.296 2.996 10 30 AFEERN CCC[C@@H](C)[C@H](C#N)C(=O)CC 238259046 572472687 /nfs/dbraw/zinc/47/26/87/572472687.db2.gz UZDCHAREVATPSE-BDAKNGLRSA-N 0 0 167.252 2.541 10 30 AFEERN C=C[C@@H]1CCC[C@@H]2CCC(=O)[C@@H]12 307367398 572472700 /nfs/dbraw/zinc/47/27/00/572472700.db2.gz MHEVBJUFVWCRAX-KKZNHRDASA-N 0 0 164.248 2.568 10 30 AFEERN CCC(C)(C)C=NNCC(C)C 308038119 572472708 /nfs/dbraw/zinc/47/27/08/572472708.db2.gz LQWXLSBZGZAONF-UHFFFAOYSA-N 0 0 170.300 2.654 10 30 AFEERN C=C(C)[C@@H](O)[C@@H](CC)CC(C)C 308038315 572472719 /nfs/dbraw/zinc/47/27/19/572472719.db2.gz XGJVVEQVRXGCBN-WDEREUQCSA-N 0 0 170.296 2.996 10 30 AFEERN C=C(C)[C@H](O)[C@@H]1CCCC[C@@H]1C 307329326 572472760 /nfs/dbraw/zinc/47/27/60/572472760.db2.gz LJDUKGXTMIUVON-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN CC#CCC(=O)[C@@H](C)C(C)(C)C 307340067 572472911 /nfs/dbraw/zinc/47/29/11/572472911.db2.gz IPVCNVXGTAIASQ-SECBINFHSA-N 0 0 166.264 2.651 10 30 AFEERN C=C(Cl)C[C@H](O)c1ccc(C)o1 33966205 572473001 /nfs/dbraw/zinc/47/30/01/572473001.db2.gz VDLURQGGUWQRNS-QMMMGPOBSA-N 0 0 186.638 2.764 10 30 AFEERN C=CCNC(=O)[C@@H](CC)[C@H](C)CCC 238259287 572473032 /nfs/dbraw/zinc/47/30/32/572473032.db2.gz FCYLTEBNONIKCA-MNOVXSKESA-N 0 0 197.322 2.751 10 30 AFEERN C=CC#C[C@@H](CCC)[C@H](O)CCC 238259396 572473320 /nfs/dbraw/zinc/47/33/20/572473320.db2.gz DSYJUFSMZBZIOU-VXGBXAGGSA-N 0 0 180.291 2.753 10 30 AFEERN C=C(CC)[C@@H](C)[C@H](O)CCC 238258965 572473359 /nfs/dbraw/zinc/47/33/59/572473359.db2.gz XEPMLSYGEXMJHR-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC[C@H](C)NC(=O)[C@H](C)CC 238260229 572473575 /nfs/dbraw/zinc/47/35/75/572473575.db2.gz PVSICLMJMXAKCF-ZJUUUORDSA-N 0 0 183.295 2.503 10 30 AFEERN C=C=C([C@H](C)CC)C(C)(C)C=O 238258604 572473719 /nfs/dbraw/zinc/47/37/19/572473719.db2.gz IBRHBJKQLDGHEH-SECBINFHSA-N 0 0 166.264 2.969 10 30 AFEERN C=CCNC(=O)[C@@H](CC)[C@@H](C)CCC 238259202 572473762 /nfs/dbraw/zinc/47/37/62/572473762.db2.gz FCYLTEBNONIKCA-QWRGUYRKSA-N 0 0 197.322 2.751 10 30 AFEERN CCC[C@H](C)/C=C(/C)[C@H](O)[C@@H](C)C=O 238260212 572473824 /nfs/dbraw/zinc/47/38/24/572473824.db2.gz QMVNDGJFAZWHIU-JSERSEQHSA-N 0 0 198.306 2.565 10 30 AFEERN Fc1ccc(CCC[C@H]2CO2)cc1 34133045 572473935 /nfs/dbraw/zinc/47/39/35/572473935.db2.gz ZPFNXMXIURZTIS-NSHDSACASA-N 0 0 180.222 2.547 10 30 AFEERN CC[C@@H](CC#N)SC1CCOCC1 62054395 572474060 /nfs/dbraw/zinc/47/40/60/572474060.db2.gz CVDYFYSVFBUFQM-VIFPVBQESA-N 0 0 199.319 2.591 10 30 AFEERN C/C=C/C[C@@H](C#N)CC 34102093 572474367 /nfs/dbraw/zinc/47/43/67/572474367.db2.gz YIERHUPCWOIYJV-WGAJWPLOSA-N 0 0 123.199 2.502 10 30 AFEERN N#CCC[C@@H]1OCCc2ccccc21 34247018 572474400 /nfs/dbraw/zinc/47/44/00/572474400.db2.gz HUHVUCNGFFEBPP-LBPRGKRZSA-N 0 0 187.242 2.604 10 30 AFEERN C=CCc1cc(C)cc(OCC)c1O 238262895 572478460 /nfs/dbraw/zinc/47/84/60/572478460.db2.gz PTEBWECIBUYXEZ-UHFFFAOYSA-N 0 0 192.258 2.828 10 30 AFEERN C=CC(=C)C[C@@H](O)[C@H](C)CCC 238259980 572474704 /nfs/dbraw/zinc/47/47/04/572474704.db2.gz ILEIVICQNLSORA-GHMZBOCLSA-N 0 0 168.280 2.916 10 30 AFEERN CCC[C@H](C)[C@H](C#N)C(=O)CC 238258961 572474922 /nfs/dbraw/zinc/47/49/22/572474922.db2.gz UZDCHAREVATPSE-IUCAKERBSA-N 0 0 167.252 2.541 10 30 AFEERN N#CCc1ccc(-c2cccnc2)cc1 34206861 572474964 /nfs/dbraw/zinc/47/49/64/572474964.db2.gz KOXDNPXKORQNNE-UHFFFAOYSA-N 0 0 194.237 2.815 10 30 AFEERN C[Si](C)(C)C#C[C@H]1CCCCC1=O 307355130 572474949 /nfs/dbraw/zinc/47/49/49/572474949.db2.gz TVURQDQXRFLDPL-SNVBAGLBSA-N 0 0 194.350 2.627 10 30 AFEERN CCC[C@]1(C)C[C@]1(C#N)NC(C)(C)C 238260829 572475492 /nfs/dbraw/zinc/47/54/92/572475492.db2.gz TWUXFGHPQRKIDY-VXGBXAGGSA-N 0 0 194.322 2.847 10 30 AFEERN CCSc1cc(C#N)c(Cl)cn1 34089318 572475525 /nfs/dbraw/zinc/47/55/25/572475525.db2.gz PIFCXRSEOWGOGU-UHFFFAOYSA-N 0 0 198.678 2.719 10 30 AFEERN C=CC[C@@H](C#N)CCCC 34160084 572475550 /nfs/dbraw/zinc/47/55/50/572475550.db2.gz IGPZPJUWSPSBSN-SECBINFHSA-N 0 0 137.226 2.892 10 30 AFEERN N#CCc1ccccc1-c1cccnc1 34206862 572475604 /nfs/dbraw/zinc/47/56/04/572475604.db2.gz HUAAAINAPALVFM-UHFFFAOYSA-N 0 0 194.237 2.815 10 30 AFEERN CCSc1ccc(Cl)c(C#N)n1 34089311 572475673 /nfs/dbraw/zinc/47/56/73/572475673.db2.gz HDALEMDSQHHCAH-UHFFFAOYSA-N 0 0 198.678 2.719 10 30 AFEERN CCC=Nc1cc(C)c(C)cc1N 308040015 572475677 /nfs/dbraw/zinc/47/56/77/572475677.db2.gz AGYIQYBJMSYDCG-UHFFFAOYSA-N 0 0 176.263 2.998 10 30 AFEERN N#CCc1ccccc1-c1ccncc1 34206860 572475683 /nfs/dbraw/zinc/47/56/83/572475683.db2.gz RIIJVFJRNYSVHM-UHFFFAOYSA-N 0 0 194.237 2.815 10 30 AFEERN CC#CCC[C@@]1(O)CC2CCC1CC2 307334808 572475855 /nfs/dbraw/zinc/47/58/55/572475855.db2.gz MGFVWAIKAIVKDA-WXRRBKDZSA-N 0 0 192.302 2.731 10 30 AFEERN CCC[C@]1(C)C[C@@]1(C#N)NC(C)(C)C 238260909 572475722 /nfs/dbraw/zinc/47/57/22/572475722.db2.gz TWUXFGHPQRKIDY-NEPJUHHUSA-N 0 0 194.322 2.847 10 30 AFEERN C=CC[C@H](C#N)CCCC 34160085 572475754 /nfs/dbraw/zinc/47/57/54/572475754.db2.gz IGPZPJUWSPSBSN-VIFPVBQESA-N 0 0 137.226 2.892 10 30 AFEERN C=C[C@@H](CCC)C(C)(C)C=O 238261354 572475755 /nfs/dbraw/zinc/47/57/55/572475755.db2.gz FZSVKQCWJYNFCI-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C[C@@H](O)CCC)C(C)C 238261379 572475780 /nfs/dbraw/zinc/47/57/80/572475780.db2.gz FKHPMHBCTUPGRZ-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN CC#C[C@@](C)(O)c1cccc(Cl)c1 307348088 572476088 /nfs/dbraw/zinc/47/60/88/572476088.db2.gz BSGNCSCJAWMRAC-LLVKDONJSA-N 0 0 194.661 2.571 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@H]1[C@@H](C)O 307385280 572476113 /nfs/dbraw/zinc/47/61/13/572476113.db2.gz KEIHLNXAGKCCKG-ZNSHCXBVSA-N 0 0 168.280 2.606 10 30 AFEERN C=C(C)[C@H](O)c1cc(C)cs1 307320282 572476116 /nfs/dbraw/zinc/47/61/16/572476116.db2.gz OREUOVGERORKPM-VIFPVBQESA-N 0 0 168.261 2.666 10 30 AFEERN CCSc1cnc(Cl)cc1C#N 34089317 572476374 /nfs/dbraw/zinc/47/63/74/572476374.db2.gz WYYWAUIQXWEGGZ-UHFFFAOYSA-N 0 0 198.678 2.719 10 30 AFEERN C#C[C@H](CC)Nc1cccc(C)c1F 300972614 572476422 /nfs/dbraw/zinc/47/64/22/572476422.db2.gz PXIPQQVHVHBCFJ-SNVBAGLBSA-N 0 0 191.249 2.958 10 30 AFEERN C=CCCc1cccc2c1OCCO2 404517227 572476880 /nfs/dbraw/zinc/47/68/80/572476880.db2.gz XAARXHIFRQCCCF-UHFFFAOYSA-N 0 0 190.242 2.576 10 30 AFEERN CC[C@H](C=O)CCC=C(C)C 238261029 572476962 /nfs/dbraw/zinc/47/69/62/572476962.db2.gz VWPVXKGGZPKHJY-JTQLQIEISA-N 0 0 154.253 2.958 10 30 AFEERN CCCC/C=C/CC#N 34112023 572477415 /nfs/dbraw/zinc/47/74/15/572477415.db2.gz DNKKFPSVEAVFCX-AATRIKPKSA-N 0 0 123.199 2.646 10 30 AFEERN CC[C@@H](C)CCCC#C[C@@H](C)O 238262740 572477588 /nfs/dbraw/zinc/47/75/88/572477588.db2.gz QZVLUTNCTQHDET-GHMZBOCLSA-N 0 0 168.280 2.587 10 30 AFEERN C=C(C)C(=O)Nc1ccc(CC)cc1 222190949 572477664 /nfs/dbraw/zinc/47/76/64/572477664.db2.gz QOHNFFSQBMVQPJ-UHFFFAOYSA-N 0 0 189.258 2.764 10 30 AFEERN CCOc1cccc2cc(C#N)oc12 34303001 572477843 /nfs/dbraw/zinc/47/78/43/572477843.db2.gz QSGUCNJJEOYMDW-UHFFFAOYSA-N 0 0 187.198 2.703 10 30 AFEERN Fc1ccc(CCC[C@@H]2CO2)cc1 34133044 572477932 /nfs/dbraw/zinc/47/79/32/572477932.db2.gz ZPFNXMXIURZTIS-LLVKDONJSA-N 0 0 180.222 2.547 10 30 AFEERN C/C=C/C[C@H](C#N)CC 34102094 572478014 /nfs/dbraw/zinc/47/80/14/572478014.db2.gz YIERHUPCWOIYJV-RYEJSQLPSA-N 0 0 123.199 2.502 10 30 AFEERN C=C(C)C[C@@H]1C(=O)C[C@H]2CCC[C@H]12 307371194 572478243 /nfs/dbraw/zinc/47/82/43/572478243.db2.gz PPZXOYWZTINPCL-VWYCJHECSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(CC)[C@H](C)[C@@H](O)CCC 238263106 572478333 /nfs/dbraw/zinc/47/83/33/572478333.db2.gz XEPMLSYGEXMJHR-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN CC#CCC[C@H](C)C[C@@H](O)CCC 238262557 572478336 /nfs/dbraw/zinc/47/83/36/572478336.db2.gz LWOKAPNFCSCIHK-RYUDHWBXSA-N 0 0 182.307 2.977 10 30 AFEERN C=CCNc1cc(OC)ccc1C 300922047 572478659 /nfs/dbraw/zinc/47/86/59/572478659.db2.gz YRPZUFDFRPIKAZ-UHFFFAOYSA-N 0 0 177.247 2.602 10 30 AFEERN C=C[C@@H](CCC)c1cocc1CO 238262665 572479259 /nfs/dbraw/zinc/47/92/59/572479259.db2.gz LLTFGHPYRZJYQT-VIFPVBQESA-N 0 0 180.247 2.842 10 30 AFEERN CC1(C)[C@@H](C=O)[C@@H]1C=C(Cl)Cl 141462277 572479311 /nfs/dbraw/zinc/47/93/11/572479311.db2.gz JMDJPCAACQFAMS-WDSKDSINSA-N 0 0 193.073 2.777 10 30 AFEERN CC[C@@H](C)CCCC#C[C@H](C)O 238262746 572479316 /nfs/dbraw/zinc/47/93/16/572479316.db2.gz QZVLUTNCTQHDET-MNOVXSKESA-N 0 0 168.280 2.587 10 30 AFEERN CCC[C@H](C=O)c1ccc(Cl)nc1 238262934 572479375 /nfs/dbraw/zinc/47/93/75/572479375.db2.gz PYGVIANHURBLDW-SECBINFHSA-N 0 0 197.665 2.818 10 30 AFEERN CC1(C)[C@H](C=O)[C@@H]1C=C(Cl)Cl 141462657 572479379 /nfs/dbraw/zinc/47/93/79/572479379.db2.gz JMDJPCAACQFAMS-NTSWFWBYSA-N 0 0 193.073 2.777 10 30 AFEERN CCC[C@H](C=O)C1C=CC=CC=C1 238262737 572479491 /nfs/dbraw/zinc/47/94/91/572479491.db2.gz XTPRXZCWKIVLID-GFCCVEGCSA-N 0 0 176.259 2.900 10 30 AFEERN CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C=O 141462462 572479669 /nfs/dbraw/zinc/47/96/69/572479669.db2.gz JMDJPCAACQFAMS-PHDIDXHHSA-N 0 0 193.073 2.777 10 30 AFEERN CO[C@@H](C#N)c1cc(C)c(C)cc1C 234751373 572479808 /nfs/dbraw/zinc/47/98/08/572479808.db2.gz WDJIWXQRRYINMR-LBPRGKRZSA-N 0 0 189.258 2.823 10 30 AFEERN C#CC[C@](C)(O)[C@@H]1CC2CCC1CC2 307396417 572479885 /nfs/dbraw/zinc/47/98/85/572479885.db2.gz OTAAHNLOMYTPJG-TUUUFIMRSA-N 0 0 192.302 2.587 10 30 AFEERN C=C1CCC[C@]1(C)[C@@H](C)C=O 141470089 572480075 /nfs/dbraw/zinc/48/00/75/572480075.db2.gz AUUMNIXIBUWQFT-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCC[C@@]1(C)[C@H](C)C=O 141469895 572480246 /nfs/dbraw/zinc/48/02/46/572480246.db2.gz AUUMNIXIBUWQFT-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C#CCSc1ccc(NC)c(F)c1 141309653 572482480 /nfs/dbraw/zinc/48/24/80/572482480.db2.gz NEOVYSIMLIZZJB-UHFFFAOYSA-N 0 0 195.262 2.593 10 30 AFEERN C=C1CCC[C@@]1(C)[C@@H](C)C=O 141469711 572480531 /nfs/dbraw/zinc/48/05/31/572480531.db2.gz AUUMNIXIBUWQFT-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCC[C@]1(C)[C@H](C)C=O 141470283 572480588 /nfs/dbraw/zinc/48/05/88/572480588.db2.gz AUUMNIXIBUWQFT-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN CC1(C)[C@@H](C=O)[C@H]1C=C(Cl)Cl 141462085 572480709 /nfs/dbraw/zinc/48/07/09/572480709.db2.gz JMDJPCAACQFAMS-RITPCOANSA-N 0 0 193.073 2.777 10 30 AFEERN C=CCN(C)c1cc(C)c(C)cc1N 307378284 572480787 /nfs/dbraw/zinc/48/07/87/572480787.db2.gz CWDXVLMKVHPTDD-UHFFFAOYSA-N 0 0 190.290 2.508 10 30 AFEERN CCC[C@H](O)CCC#C[Si](C)(C)C 238261825 572481593 /nfs/dbraw/zinc/48/15/93/572481593.db2.gz HDKLSZCVUKEOMC-NSHDSACASA-N 0 0 198.382 2.808 10 30 AFEERN C=CC[C@@H](O)[C@]1(C)CCCC(C)(C)O1 307303782 572481797 /nfs/dbraw/zinc/48/17/97/572481797.db2.gz DUMDMXCGDGRDJX-PWSUYJOCSA-N 0 0 198.306 2.661 10 30 AFEERN CCO[C@H](c1ccco1)[C@H](C=O)CC 238261538 572483192 /nfs/dbraw/zinc/48/31/92/572483192.db2.gz YNJYBUACTAZSSZ-ONGXEEELSA-N 0 0 196.246 2.582 10 30 AFEERN C=C(CO)[C@@H]1C[C@@H]2C[C@]2(C)C1(C)C 307332666 572482156 /nfs/dbraw/zinc/48/21/56/572482156.db2.gz AFUAYEBVURFMIE-SCVCMEIPSA-N 0 0 180.291 2.607 10 30 AFEERN C=C(CCCCCC)C(=O)NCC 114453987 572482388 /nfs/dbraw/zinc/48/23/88/572482388.db2.gz JKZQBSUPPNQHTK-UHFFFAOYSA-N 0 0 183.295 2.649 10 30 AFEERN C=C(C)[C@@]1(C=O)CC=C(C)CC1 141329492 572482553 /nfs/dbraw/zinc/48/25/53/572482553.db2.gz TYVGPQBBYDIUFO-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C/C=C/C(C)=C\C(=O)C(C)C 207532344 572482562 /nfs/dbraw/zinc/48/25/62/572482562.db2.gz QJOKTXLNLSZGEP-UQIVLYAPSA-N 0 0 152.237 2.734 10 30 AFEERN C=C(C)CC(=O)[C@H]1CCC(F)(F)C1 300932370 572483008 /nfs/dbraw/zinc/48/30/08/572483008.db2.gz RDHYTWAUMJEYJX-QMMMGPOBSA-N 0 0 188.217 2.957 10 30 AFEERN C=C(C)c1ccc(N)c(Cl)c1 141373582 572483476 /nfs/dbraw/zinc/48/34/76/572483476.db2.gz PMJAAIQKDQNKDL-UHFFFAOYSA-N 0 0 167.639 2.955 10 30 AFEERN C=C(C)[C@]1(C=O)CC=C(C)CC1 141329676 572483494 /nfs/dbraw/zinc/48/34/94/572483494.db2.gz TYVGPQBBYDIUFO-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CCC[C@@H]([C@@H](C)C=O)n1cccc1 238263712 572483535 /nfs/dbraw/zinc/48/35/35/572483535.db2.gz WHRHHBKZAPVZIZ-QWRGUYRKSA-N 0 0 179.263 2.664 10 30 AFEERN C=C(C)CCNc1ccc(N)cc1C 307346501 572483694 /nfs/dbraw/zinc/48/36/94/572483694.db2.gz PCUVSNXXAHVMAI-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN CO[C@@H](C)C(=O)C1=CCCCCCC1 234750855 572483709 /nfs/dbraw/zinc/48/37/09/572483709.db2.gz WHMZJHUXOLLXOS-JTQLQIEISA-N 0 0 196.290 2.871 10 30 AFEERN CCC#C[C@H](CCC)[C@@H](O)CCC 238263386 572483894 /nfs/dbraw/zinc/48/38/94/572483894.db2.gz OZMXVJNTMHSTOK-RYUDHWBXSA-N 0 0 182.307 2.977 10 30 AFEERN CCO[C@H](c1ccco1)[C@@H](C=O)CC 238261739 572483918 /nfs/dbraw/zinc/48/39/18/572483918.db2.gz YNJYBUACTAZSSZ-KOLCDFICSA-N 0 0 196.246 2.582 10 30 AFEERN C=C(C)c1ccc(CSC)cn1 307402502 572484062 /nfs/dbraw/zinc/48/40/62/572484062.db2.gz CGYJVXGPLVJRPR-UHFFFAOYSA-N 0 0 179.288 2.978 10 30 AFEERN CC#CCC[C@@H](O)c1csc(C)c1 307478268 572484109 /nfs/dbraw/zinc/48/41/09/572484109.db2.gz DXLQCXMZTFOSDI-LLVKDONJSA-N 0 0 194.299 2.893 10 30 AFEERN O=CCC1=Cc2ccccc2CC1 141341971 572484113 /nfs/dbraw/zinc/48/41/13/572484113.db2.gz BJOYKRKDPGCHKQ-UHFFFAOYSA-N 0 0 172.227 2.605 10 30 AFEERN CCC[C@@H](SC)[C@H](C=O)CC 238263567 572484207 /nfs/dbraw/zinc/48/42/07/572484207.db2.gz WQIFFOMYKXCKFE-DTWKUNHWSA-N 0 0 174.309 2.743 10 30 AFEERN C/C=C/C#CC#CCC[C@@H](O)CCC 238261815 572484468 /nfs/dbraw/zinc/48/44/68/572484468.db2.gz SNDZBXONXVYAQC-LQPUYASZSA-N 0 0 190.286 2.511 10 30 AFEERN Cc1c(C#N)cncc1-c1ccccc1 74246545 572484472 /nfs/dbraw/zinc/48/44/72/572484472.db2.gz PCXMHRBETJNFQC-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN Cc1ccc(C#N)c(-c2cccnc2)c1 74246544 572484885 /nfs/dbraw/zinc/48/48/85/572484885.db2.gz IBRBMKBPKFRNOJ-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CCC[C@@H]([C@H](C)C=O)n1cccc1 238264033 572484892 /nfs/dbraw/zinc/48/48/92/572484892.db2.gz WHRHHBKZAPVZIZ-MNOVXSKESA-N 0 0 179.263 2.664 10 30 AFEERN CCC[C@@H](SC)[C@@H](C=O)CC 238263587 572484926 /nfs/dbraw/zinc/48/49/26/572484926.db2.gz WQIFFOMYKXCKFE-RKDXNWHRSA-N 0 0 174.309 2.743 10 30 AFEERN C=CC#C[C@H](CCC)[C@@H](O)CCC 238263379 572485025 /nfs/dbraw/zinc/48/50/25/572485025.db2.gz DSYJUFSMZBZIOU-RYUDHWBXSA-N 0 0 180.291 2.753 10 30 AFEERN CC[C@@H](C)[C@@H]1CCC(=NOC)C1 308040735 572485399 /nfs/dbraw/zinc/48/53/99/572485399.db2.gz NGXNXOAYKVWTRR-RKDXNWHRSA-N 0 0 169.268 2.835 10 30 AFEERN CC[C@@H](C)[C@H]1CCC(=NOC)C1 308040732 572485598 /nfs/dbraw/zinc/48/55/98/572485598.db2.gz NGXNXOAYKVWTRR-BDAKNGLRSA-N 0 0 169.268 2.835 10 30 AFEERN CC[C@H](C)[C@@H]1CCC(=NOC)C1 308040733 572485726 /nfs/dbraw/zinc/48/57/26/572485726.db2.gz NGXNXOAYKVWTRR-DTWKUNHWSA-N 0 0 169.268 2.835 10 30 AFEERN CC[C@@H](O)C#C[Si](CC)(CC)CC 238265051 572486186 /nfs/dbraw/zinc/48/61/86/572486186.db2.gz OGLZKLIHUJGUBW-LLVKDONJSA-N 0 0 198.382 2.808 10 30 AFEERN C=C(CC)[C@@H](C)[C@@H](O)CCC 238264280 572486661 /nfs/dbraw/zinc/48/66/61/572486661.db2.gz XEPMLSYGEXMJHR-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC[C@@H]1CC[C@@H](CC)C1=O 238264415 572486921 /nfs/dbraw/zinc/48/69/21/572486921.db2.gz WLMDAGWTJYVANA-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCC(=O)CCC[C@@H](O)CCC 238261946 572487349 /nfs/dbraw/zinc/48/73/49/572487349.db2.gz JNBPSNXVKIJSKV-NSHDSACASA-N 0 0 198.306 2.853 10 30 AFEERN C=C[C@@H]([NH3+])c1ccc(CCCC)cn1 238264789 572487410 /nfs/dbraw/zinc/48/74/10/572487410.db2.gz GWTYTJHXXDYUSL-LLVKDONJSA-N 0 0 190.290 2.610 10 30 AFEERN CCC[C@@H]1C(C=O)[C@H]1CCC 238264687 572488214 /nfs/dbraw/zinc/48/82/14/572488214.db2.gz MISGBGPABRDFJJ-IUCAKERBSA-N 0 0 154.253 2.648 10 30 AFEERN CCC#C[C@@H](CCC)[C@@H](O)CCC 238264585 572487704 /nfs/dbraw/zinc/48/77/04/572487704.db2.gz OZMXVJNTMHSTOK-NEPJUHHUSA-N 0 0 182.307 2.977 10 30 AFEERN C=C(CC)CNc1ccnc(F)c1 307442751 572489400 /nfs/dbraw/zinc/48/94/00/572489400.db2.gz ANGRNVSRBFOUCX-UHFFFAOYSA-N 0 0 180.226 2.599 10 30 AFEERN C=CCNc1[nH+]c(C)cn1C1CCC1 235941883 572488077 /nfs/dbraw/zinc/48/80/77/572488077.db2.gz LRMIHPYDWXDOHJ-UHFFFAOYSA-N 0 0 191.278 2.514 10 30 AFEERN CC[C@H](C)[C@H]1CCC(=NOC)C1 308040734 572488480 /nfs/dbraw/zinc/48/84/80/572488480.db2.gz NGXNXOAYKVWTRR-IUCAKERBSA-N 0 0 169.268 2.835 10 30 AFEERN C=CC#C[C@@H](CCC)[C@@H](O)CCC 238264583 572488793 /nfs/dbraw/zinc/48/87/93/572488793.db2.gz DSYJUFSMZBZIOU-NEPJUHHUSA-N 0 0 180.291 2.753 10 30 AFEERN Cc1cccc(-c2ccc(C#N)cn2)c1 74246546 572489032 /nfs/dbraw/zinc/48/90/32/572489032.db2.gz XDCCWWCDDKSOIB-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN N#Cc1csc2c1CCCS2 156713167 572489102 /nfs/dbraw/zinc/48/91/02/572489102.db2.gz MAGKTYIWKWBCRE-UHFFFAOYSA-N 0 0 181.285 2.658 10 30 AFEERN CC[C@H]1C[C@@]1(C=O)Cc1ccccc1 238267459 572489792 /nfs/dbraw/zinc/48/97/92/572489792.db2.gz CRBOJXSETXUDLA-QWHCGFSZSA-N 0 0 188.270 2.844 10 30 AFEERN C=CCO[C@H](/C=C/C[C@H](O)CC)CC 238267337 572489827 /nfs/dbraw/zinc/48/98/27/572489827.db2.gz VVYXWTRNFVXDIF-JBSRMNHVSA-N 0 0 198.306 2.685 10 30 AFEERN Cc1ccccc1-c1ccc(C#N)cn1 74246548 572490127 /nfs/dbraw/zinc/49/01/27/572490127.db2.gz YZDGPFIDSIZMOV-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CCC[C@H]([C@H](C)C=O)n1cccc1 238269350 572491153 /nfs/dbraw/zinc/49/11/53/572491153.db2.gz WHRHHBKZAPVZIZ-GHMZBOCLSA-N 0 0 179.263 2.664 10 30 AFEERN C=C(CC)CNc1ccc(N)cc1C 307437263 572491277 /nfs/dbraw/zinc/49/12/77/572491277.db2.gz QEXXFUZHQQNOMR-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C#CC(CC)(CC)n1cccc1 307440221 572491869 /nfs/dbraw/zinc/49/18/69/572491869.db2.gz XXXNOUPBYICDTI-UHFFFAOYSA-N 0 0 161.248 2.637 10 30 AFEERN C=C(CC[C@H](O)CC)c1cccnc1 238269389 572491918 /nfs/dbraw/zinc/49/19/18/572491918.db2.gz SQQMPNJWCIMAOE-GFCCVEGCSA-N 0 0 191.274 2.646 10 30 AFEERN CC/C=C(\C#C/C=C/CO)CCC 238266347 572492035 /nfs/dbraw/zinc/49/20/35/572492035.db2.gz UIFLUMPHSRXKMA-VRGHMPIDSA-N 0 0 178.275 2.675 10 30 AFEERN C[C@@H](C=O)CCc1ccncc1Cl 84088451 572492852 /nfs/dbraw/zinc/49/28/52/572492852.db2.gz DJRMRSLDUPZWMU-MRVPVSSYSA-N 0 0 197.665 2.503 10 30 AFEERN C=C(C)[C@@H](NC)c1ncccc1Cl 234458674 572492995 /nfs/dbraw/zinc/49/29/95/572492995.db2.gz BMFKILDKYGENHM-SECBINFHSA-N 0 0 196.681 2.572 10 30 AFEERN CC(C)[C@@H](C)OC/C=C/CS 87471301 572503185 /nfs/dbraw/zinc/50/31/85/572503185.db2.gz FHYILMWAHVZEQB-XNPJLODASA-N 0 0 174.309 2.534 10 30 AFEERN CCC#Cc1ccc(Br)o1 307426377 572493123 /nfs/dbraw/zinc/49/31/23/572493123.db2.gz FYKMWUBWEVNOIG-UHFFFAOYSA-N 0 0 199.047 2.804 10 30 AFEERN C=C1[C@@H]2CC[C@@H](C2)[C@]1(C)CCCO 307435422 572493304 /nfs/dbraw/zinc/49/33/04/572493304.db2.gz KOOKPKOMDCFHDY-GRYCIOLGSA-N 0 0 180.291 2.751 10 30 AFEERN CCC[C@H]([C@@H](C)C=O)n1cccc1 238268930 572493963 /nfs/dbraw/zinc/49/39/63/572493963.db2.gz WHRHHBKZAPVZIZ-WDEREUQCSA-N 0 0 179.263 2.664 10 30 AFEERN C=C(C)[C@@H](O)C1(OC)CCCCCC1 307494906 572494125 /nfs/dbraw/zinc/49/41/25/572494125.db2.gz HVBCAZRTZDMMMJ-LLVKDONJSA-N 0 0 198.306 2.663 10 30 AFEERN C=CCCC(C)(C)C(=O)C[C@H](O)CC 238268782 572494148 /nfs/dbraw/zinc/49/41/48/572494148.db2.gz IDTSAGOXGPLXBQ-SNVBAGLBSA-N 0 0 198.306 2.709 10 30 AFEERN C[C@H](C=O)CCc1ccncc1Cl 84088448 572494164 /nfs/dbraw/zinc/49/41/64/572494164.db2.gz DJRMRSLDUPZWMU-QMMMGPOBSA-N 0 0 197.665 2.503 10 30 AFEERN CCC[C@H](SC)[C@H](C=O)CC 238268765 572494404 /nfs/dbraw/zinc/49/44/04/572494404.db2.gz WQIFFOMYKXCKFE-IUCAKERBSA-N 0 0 174.309 2.743 10 30 AFEERN O=CCc1c[nH]c2cc(Cl)ccc12 74247365 572494490 /nfs/dbraw/zinc/49/44/90/572494490.db2.gz OIHXSDAUPSOBGD-UHFFFAOYSA-N 0 0 193.633 2.563 10 30 AFEERN CCC[C@H](SC)[C@@H](C=O)CC 238268787 572494622 /nfs/dbraw/zinc/49/46/22/572494622.db2.gz WQIFFOMYKXCKFE-BDAKNGLRSA-N 0 0 174.309 2.743 10 30 AFEERN C=CC(=O)c1c(C)[nH]c(C)c1CCC 238268855 572494839 /nfs/dbraw/zinc/49/48/39/572494839.db2.gz MZLRHWWSNJKQGC-UHFFFAOYSA-N 0 0 191.274 2.953 10 30 AFEERN C=C(C)[C@H](OC)c1ccccc1O 221808250 572495812 /nfs/dbraw/zinc/49/58/12/572495812.db2.gz JFZQEIVTBQFJTL-NSHDSACASA-N 0 0 178.231 2.656 10 30 AFEERN C=CCC(CC)(CC)NC(=O)OCC 238272504 572496407 /nfs/dbraw/zinc/49/64/07/572496407.db2.gz CDJQPCZUZQMLCI-UHFFFAOYSA-N 0 0 199.294 2.867 10 30 AFEERN C=C1CC[C@@H]2CCC[C@H](O)[C@@]2(C)C1 221807347 572497101 /nfs/dbraw/zinc/49/71/01/572497101.db2.gz CGWZVKWDJQPDJN-SRVKXCTJSA-N 0 0 180.291 2.894 10 30 AFEERN C=C1C(=C)[C@H]2O[C@@H]1/C(=C\Cl)C2=C 307325928 572498061 /nfs/dbraw/zinc/49/80/61/572498061.db2.gz GXAGZCXNRMHISK-LTAOASPFSA-N 0 0 180.634 2.559 10 30 AFEERN CCC[C@H]1C(C=O)[C@@H]1CCC 238270289 572498102 /nfs/dbraw/zinc/49/81/02/572498102.db2.gz MISGBGPABRDFJJ-RKDXNWHRSA-N 0 0 154.253 2.648 10 30 AFEERN CC#CC1(O)CCC(CCC)CC1 307310316 572499767 /nfs/dbraw/zinc/49/97/67/572499767.db2.gz PUEVDMHBLWJOJD-UHFFFAOYSA-N 0 0 180.291 2.731 10 30 AFEERN C=CCc1ccc(O)c(CCC)c1O 238271773 572502138 /nfs/dbraw/zinc/50/21/38/572502138.db2.gz MKNDYXRFEUKRIU-UHFFFAOYSA-N 0 0 192.258 2.779 10 30 AFEERN CC(C)[C@H](C)OCCCCC#N 87469276 572500070 /nfs/dbraw/zinc/50/00/70/572500070.db2.gz KDIZBYOEMCHMOO-JTQLQIEISA-N 0 0 169.268 2.741 10 30 AFEERN CC(C)[C@@H](C)OCCC(C)(C)C#N 87469269 572500308 /nfs/dbraw/zinc/50/03/08/572500308.db2.gz SDYYJDVVNKALTC-SNVBAGLBSA-N 0 0 183.295 2.987 10 30 AFEERN CC(C)[C@H](C)OCC1(CC#N)CC1 87469278 572500354 /nfs/dbraw/zinc/50/03/54/572500354.db2.gz UNKMBQJWIFNKOS-JTQLQIEISA-N 0 0 181.279 2.741 10 30 AFEERN Cc1ccc(Cl)c(OCCC=O)c1 62545350 572500438 /nfs/dbraw/zinc/50/04/38/572500438.db2.gz FDBYSHWXTWLNJH-UHFFFAOYSA-N 0 0 198.649 2.616 10 30 AFEERN CC(C)[C@@H](C)OCCCCC#N 87469275 572500543 /nfs/dbraw/zinc/50/05/43/572500543.db2.gz KDIZBYOEMCHMOO-SNVBAGLBSA-N 0 0 169.268 2.741 10 30 AFEERN CC(C)[C@@H](C)OCC1(CC#N)CC1 87469277 572500556 /nfs/dbraw/zinc/50/05/56/572500556.db2.gz UNKMBQJWIFNKOS-SNVBAGLBSA-N 0 0 181.279 2.741 10 30 AFEERN CCc1ccc(C[C@@H](C)C=O)c(C)c1 238272966 572500585 /nfs/dbraw/zinc/50/05/85/572500585.db2.gz COBGVSGAUVXEGW-SNVBAGLBSA-N 0 0 190.286 2.935 10 30 AFEERN CCc1ccc(C[C@@H](C)C=O)cc1C 238273048 572502469 /nfs/dbraw/zinc/50/24/69/572502469.db2.gz OVQJWCVZQCWXBG-SNVBAGLBSA-N 0 0 190.286 2.935 10 30 AFEERN O=CCCSC1CCCCC1 62546896 572500758 /nfs/dbraw/zinc/50/07/58/572500758.db2.gz MORZEEBKGBYWFE-UHFFFAOYSA-N 0 0 172.293 2.641 10 30 AFEERN C=C(C)[C@H](O)C1(OC)CCCCCC1 307494907 572502980 /nfs/dbraw/zinc/50/29/80/572502980.db2.gz HVBCAZRTZDMMMJ-NSHDSACASA-N 0 0 198.306 2.663 10 30 AFEERN C=CCC[C@@H](C)S[C@H](C)CCO 308044603 572500930 /nfs/dbraw/zinc/50/09/30/572500930.db2.gz OWSDXNRMRUQNDU-NXEZZACHSA-N 0 0 188.336 2.845 10 30 AFEERN CC(C)[C@H](C)OCCC(C)(C)C#N 87469270 572500940 /nfs/dbraw/zinc/50/09/40/572500940.db2.gz SDYYJDVVNKALTC-JTQLQIEISA-N 0 0 183.295 2.987 10 30 AFEERN C=CCC[C@@H](C)S[C@@H](C)CCO 308044606 572500956 /nfs/dbraw/zinc/50/09/56/572500956.db2.gz OWSDXNRMRUQNDU-ZJUUUORDSA-N 0 0 188.336 2.845 10 30 AFEERN CCC(=O)C#CC1CCCCC1 196802354 572501176 /nfs/dbraw/zinc/50/11/76/572501176.db2.gz HHCVFZLBSDYELA-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN C#CCNc1ccc(C(C)C)c(F)c1 307461249 572501225 /nfs/dbraw/zinc/50/12/25/572501225.db2.gz FPVTZZRZHVOVHV-UHFFFAOYSA-N 0 0 191.249 2.994 10 30 AFEERN C=C(CO)[C@H]1[C@H](C)CC[C@H]1C(=C)C 307420866 572501475 /nfs/dbraw/zinc/50/14/75/572501475.db2.gz ZTFJPFOXCPUYHI-ADEWGFFLSA-N 0 0 180.291 2.773 10 30 AFEERN Cc1cn(CCC=O)c2ccccc12 62542655 572501485 /nfs/dbraw/zinc/50/14/85/572501485.db2.gz YVIHJWMLBPKVIS-UHFFFAOYSA-N 0 0 187.242 2.539 10 30 AFEERN CC#C[C@H](O)c1ccc(Cl)c(F)c1 307456990 572501663 /nfs/dbraw/zinc/50/16/63/572501663.db2.gz FCZODUFHEAQVCW-JTQLQIEISA-N 0 0 198.624 2.536 10 30 AFEERN CC(C)[C@H](C)OCCCCS 87471270 572503043 /nfs/dbraw/zinc/50/30/43/572503043.db2.gz GHDKPACBTLVUTD-VIFPVBQESA-N 0 0 176.325 2.758 10 30 AFEERN Cc1cccc2c1ccn2CCC=O 62542624 572501958 /nfs/dbraw/zinc/50/19/58/572501958.db2.gz LRKCZTBJKRJSFX-UHFFFAOYSA-N 0 0 187.242 2.539 10 30 AFEERN C=CCOc1cccc(O)c1CCC 238272177 572502012 /nfs/dbraw/zinc/50/20/12/572502012.db2.gz ZROFBHDSQUXDSL-UHFFFAOYSA-N 0 0 192.258 2.910 10 30 AFEERN CC(C)[C@@H](C)OCCCCS 87471269 572502029 /nfs/dbraw/zinc/50/20/29/572502029.db2.gz GHDKPACBTLVUTD-SECBINFHSA-N 0 0 176.325 2.758 10 30 AFEERN C=C[C@@H](C)C[C@@H](O)[C@@H](C)CC 238272676 572502165 /nfs/dbraw/zinc/50/21/65/572502165.db2.gz YXFIQIHWSKIICM-KXUCPTDWSA-N 0 0 156.269 2.606 10 30 AFEERN CC(C)[C@H](C)NN=CC(C)(C)C 308041851 572502303 /nfs/dbraw/zinc/50/23/03/572502303.db2.gz NRYXTSHWAMQBAD-VIFPVBQESA-N 0 0 170.300 2.652 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H](C)CCC 308042352 572502675 /nfs/dbraw/zinc/50/26/75/572502675.db2.gz NXCOWUNFEPHSPN-RKDXNWHRSA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)[C@]1(C)C(=O)[C@@H]2CC[C@H]1C2 307350407 572502693 /nfs/dbraw/zinc/50/26/93/572502693.db2.gz PJOSXMIBYWMJOP-YWVKMMECSA-N 0 0 164.248 2.568 10 30 AFEERN CCc1ccc(C[C@@H](C)C=O)c(F)c1 238273007 572502694 /nfs/dbraw/zinc/50/26/94/572502694.db2.gz SCYHDLZWEGLVTO-SECBINFHSA-N 0 0 194.249 2.766 10 30 AFEERN CC(=O)C/C(C)=C(\C)C#CCl 307421411 572502827 /nfs/dbraw/zinc/50/28/27/572502827.db2.gz NWVNSNLFMBCXGZ-BQYQJAHWSA-N 0 0 170.639 2.502 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H](C)CCC 308042346 572502944 /nfs/dbraw/zinc/50/29/44/572502944.db2.gz NXCOWUNFEPHSPN-DTWKUNHWSA-N 0 0 170.252 2.540 10 30 AFEERN C=CCC[C@H](C)S[C@H](C)CCO 308044605 572502965 /nfs/dbraw/zinc/50/29/65/572502965.db2.gz OWSDXNRMRUQNDU-VHSXEESVSA-N 0 0 188.336 2.845 10 30 AFEERN C=C1C[C@@H]1[C@H]1CCCC[C@H]1C(C)=O 307418007 572503141 /nfs/dbraw/zinc/50/31/41/572503141.db2.gz LWYKEPHDOVFVBC-SRVKXCTJSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)[C@@H](C)NN=CC(C)(C)C 308041850 572503469 /nfs/dbraw/zinc/50/34/69/572503469.db2.gz NRYXTSHWAMQBAD-SECBINFHSA-N 0 0 170.300 2.652 10 30 AFEERN C=CC[C@H](O)c1ccc(N)cc1Cl 307472554 572503474 /nfs/dbraw/zinc/50/34/74/572503474.db2.gz ZRPUQYALHXXDJZ-JTQLQIEISA-N 0 0 197.665 2.532 10 30 AFEERN CC(C)[C@@H](C)OC[C@@H](C)CS 87471279 572503495 /nfs/dbraw/zinc/50/34/95/572503495.db2.gz WSTILMZPWKGFNB-RKDXNWHRSA-N 0 0 176.325 2.613 10 30 AFEERN C=CC1(NC(=O)OCC)CCCCC1 238272661 572503579 /nfs/dbraw/zinc/50/35/79/572503579.db2.gz GEUIJSOYCSJYHX-UHFFFAOYSA-N 0 0 197.278 2.621 10 30 AFEERN C=C[C@@H](C)Sc1cc(C#N)ccn1 307460332 572503609 /nfs/dbraw/zinc/50/36/09/572503609.db2.gz HKWIMXKPVPZMTG-MRVPVSSYSA-N 0 0 190.271 2.620 10 30 AFEERN C=C(C)[C@@H]1CC[C@@](C)(OCC)[C@@H](O)C1 307426953 572503731 /nfs/dbraw/zinc/50/37/31/572503731.db2.gz PYXGJCIHVITOPH-GRYCIOLGSA-N 0 0 198.306 2.519 10 30 AFEERN CC(C)[C@H](C)OC[C@@H](C)CS 87471280 572503671 /nfs/dbraw/zinc/50/36/71/572503671.db2.gz WSTILMZPWKGFNB-BDAKNGLRSA-N 0 0 176.325 2.613 10 30 AFEERN C=CCC(=O)[C@@H]1CC2CCC1CC2 307480401 572503674 /nfs/dbraw/zinc/50/36/74/572503674.db2.gz KCXZGFZVPPCLME-VQXHTEKXSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)[C@@H](C)OCC1(CS)CC1 87471295 572503706 /nfs/dbraw/zinc/50/37/06/572503706.db2.gz HUXKMCOKWBEOKT-SECBINFHSA-N 0 0 188.336 2.758 10 30 AFEERN CC(C)[C@H](C)OC/C=C/CS 87471302 572503890 /nfs/dbraw/zinc/50/38/90/572503890.db2.gz FHYILMWAHVZEQB-MOVJSRMASA-N 0 0 174.309 2.534 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H](C)CCC 308042347 572503944 /nfs/dbraw/zinc/50/39/44/572503944.db2.gz NXCOWUNFEPHSPN-IUCAKERBSA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@@H](O)C[Si](C)(CC)CC 238273769 572504104 /nfs/dbraw/zinc/50/41/04/572504104.db2.gz QHJFWQIMDKTSKE-SECBINFHSA-N 0 0 172.344 2.652 10 30 AFEERN CC(C)[C@@H](C)OC[C@H](C)CS 87471281 572504155 /nfs/dbraw/zinc/50/41/55/572504155.db2.gz WSTILMZPWKGFNB-DTWKUNHWSA-N 0 0 176.325 2.613 10 30 AFEERN CC1(C)CC2=C(CCCC2)C1=O 196811116 572504385 /nfs/dbraw/zinc/50/43/85/572504385.db2.gz JVELPZLIUBFFQM-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CCCC[C@H]1CC[C@@H](CC#N)O1 308042827 572505089 /nfs/dbraw/zinc/50/50/89/572505089.db2.gz OBQJJIQZZGWPSM-UWVGGRQHSA-N 0 0 167.252 2.638 10 30 AFEERN CCc1ccc(C[C@H](C)C=O)c(F)c1 238273540 572504902 /nfs/dbraw/zinc/50/49/02/572504902.db2.gz SCYHDLZWEGLVTO-VIFPVBQESA-N 0 0 194.249 2.766 10 30 AFEERN CCO[C@@](C)(CC=O)c1ccccc1 238276354 572505215 /nfs/dbraw/zinc/50/52/15/572505215.db2.gz GEPBLKLCHWHZSS-LBPRGKRZSA-N 0 0 192.258 2.527 10 30 AFEERN CCO[C@](C#N)(CC)c1ccccc1 238276737 572505560 /nfs/dbraw/zinc/50/55/60/572505560.db2.gz XTAJGILTMUGLRF-LBPRGKRZSA-N 0 0 189.258 2.852 10 30 AFEERN C=C[C@](C)(c1ccccc1)[C@H](C)O 307484010 572505613 /nfs/dbraw/zinc/50/56/13/572505613.db2.gz HYWDYTKZKDXTOM-JQWIXIFHSA-N 0 0 176.259 2.511 10 30 AFEERN CCc1ccc(C[C@H](C)C=O)cc1F 238273621 572505699 /nfs/dbraw/zinc/50/56/99/572505699.db2.gz RJVSIKVONCNWLX-VIFPVBQESA-N 0 0 194.249 2.766 10 30 AFEERN C#CCC[C@H](O)CC1CCCCC1 87473806 572505728 /nfs/dbraw/zinc/50/57/28/572505728.db2.gz PVMYRRCQEAMQGI-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN C=CC[C@@H]1C[C@@H](C)C(=O)[C@@]1(C)OCC 238277655 572505730 /nfs/dbraw/zinc/50/57/30/572505730.db2.gz ODKNDZZJQQZAKR-FOGDFJRCSA-N 0 0 196.290 2.583 10 30 AFEERN C=C(C)[C@@H]1CC[C@](C)(OCC)[C@H](O)C1 307426955 572505752 /nfs/dbraw/zinc/50/57/52/572505752.db2.gz PYXGJCIHVITOPH-UTUOFQBUSA-N 0 0 198.306 2.519 10 30 AFEERN N#C[C@H](CC1CCCCC1)NC1CC1 87473580 572505807 /nfs/dbraw/zinc/50/58/07/572505807.db2.gz VWVODGBKLMVLPA-LBPRGKRZSA-N 0 0 192.306 2.601 10 30 AFEERN CCc1ccc(C[C@H](C)C=O)c(C)c1 238273518 572505825 /nfs/dbraw/zinc/50/58/25/572505825.db2.gz COBGVSGAUVXEGW-JTQLQIEISA-N 0 0 190.286 2.935 10 30 AFEERN C=C[C@@H](O)[C@@H]1CC[C@H]2C[C@@H]1C2(C)C 307467497 572505859 /nfs/dbraw/zinc/50/58/59/572505859.db2.gz LEUFTHVQCHOALC-ZRUFSTJUSA-N 0 0 180.291 2.606 10 30 AFEERN C=C1C[C@H](O)C(=C)[C@@H]2C[C@H](C)CC[C@H]12 307476739 572506008 /nfs/dbraw/zinc/50/60/08/572506008.db2.gz LMOKWQLYRGQQGK-KMLBCRHOSA-N 0 0 192.302 2.916 10 30 AFEERN C#CCC[C@@H](O)CC1CCCCC1 87473807 572506066 /nfs/dbraw/zinc/50/60/66/572506066.db2.gz PVMYRRCQEAMQGI-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN C=C[C@H](c1ccccc1)[C@@H](CC)CO 238276462 572506144 /nfs/dbraw/zinc/50/61/44/572506144.db2.gz JRJRIDCLEYXQGG-AAEUAGOBSA-N 0 0 190.286 2.975 10 30 AFEERN CC[C@@]1(CCCC=O)CCCCC1=O 238276621 572506447 /nfs/dbraw/zinc/50/64/47/572506447.db2.gz DOMSHRNOGRUWPR-LBPRGKRZSA-N 0 0 196.290 2.895 10 30 AFEERN C/C=C\[C@](C)(C=O)Cc1ccco1 308043577 572506505 /nfs/dbraw/zinc/50/65/05/572506505.db2.gz DBHFPHFJEXZUNM-UUSYTGMJSA-N 0 0 178.231 2.603 10 30 AFEERN C=C[C@@H](c1ccccc1)[C@@H](CC)CO 238276264 572506680 /nfs/dbraw/zinc/50/66/80/572506680.db2.gz JRJRIDCLEYXQGG-WCQYABFASA-N 0 0 190.286 2.975 10 30 AFEERN CCCC[C@H]1CC[C@H](CC#N)O1 308042828 572507130 /nfs/dbraw/zinc/50/71/30/572507130.db2.gz OBQJJIQZZGWPSM-VHSXEESVSA-N 0 0 167.252 2.638 10 30 AFEERN N#C[C@@H](CC1CCCCC1)NC1CC1 87473581 572507316 /nfs/dbraw/zinc/50/73/16/572507316.db2.gz VWVODGBKLMVLPA-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN C=CCc1cc(N)ccc1OC(F)F 84193404 572507307 /nfs/dbraw/zinc/50/73/07/572507307.db2.gz JEFAPOUSACHSEQ-UHFFFAOYSA-N 0 0 199.200 2.599 10 30 AFEERN C=C1[C@@]2(C)CC(=O)[C@]1(C)[C@H](C)C2 307446157 572507355 /nfs/dbraw/zinc/50/73/55/572507355.db2.gz PGZYQSWEQIJTPY-AVPPRXQKSA-N 0 0 164.248 2.568 10 30 AFEERN C=CCC(C)(C)[C@H](C(C)=O)[C@H](O)CC 238273717 572507463 /nfs/dbraw/zinc/50/74/63/572507463.db2.gz AHPROZWXKZMIJZ-GHMZBOCLSA-N 0 0 198.306 2.565 10 30 AFEERN CC[C@](C)(C=O)c1cccc(OC)c1 238275958 572507491 /nfs/dbraw/zinc/50/74/91/572507491.db2.gz XEYIBQHASRISKK-GFCCVEGCSA-N 0 0 192.258 2.562 10 30 AFEERN CC[C@](C)(CC=O)c1ccccc1 238276561 572507501 /nfs/dbraw/zinc/50/75/01/572507501.db2.gz AUJWJNKONBOIFQ-GFCCVEGCSA-N 0 0 176.259 2.943 10 30 AFEERN C=CC[C@@H](O)CC1CCCCC1 87473738 572507997 /nfs/dbraw/zinc/50/79/97/572507997.db2.gz LTMZHWINRLZRHW-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=C[C@H](O)[C@H]1CC[C@H]2C[C@@H]1C2(C)C 307467494 572508053 /nfs/dbraw/zinc/50/80/53/572508053.db2.gz LEUFTHVQCHOALC-NAKRPEOUSA-N 0 0 180.291 2.606 10 30 AFEERN C=C(C)c1ccc2nccnc2c1 307420205 572508111 /nfs/dbraw/zinc/50/81/11/572508111.db2.gz LHMASFDQUNMDSQ-UHFFFAOYSA-N 0 0 170.215 2.663 10 30 AFEERN CC(C)=CC[C@@H]1C=CC(=O)CC1 45071649 572508155 /nfs/dbraw/zinc/50/81/55/572508155.db2.gz ZMLBPNWFFDAOBW-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN CCC(C)(C)C=NNC(C)(C)C 308043535 572508284 /nfs/dbraw/zinc/50/82/84/572508284.db2.gz OKLMIBRHDNWTRY-UHFFFAOYSA-N 0 0 170.300 2.797 10 30 AFEERN C[C@H](C#N)N1CCC[C@@H]1C1CCCC1 45073697 572508425 /nfs/dbraw/zinc/50/84/25/572508425.db2.gz DUNHPPLYYDWHKT-ZYHUDNBSSA-N 0 0 192.306 2.553 10 30 AFEERN C/C=C\[C@@](C)(C=O)Cc1ccco1 308043579 572508540 /nfs/dbraw/zinc/50/85/40/572508540.db2.gz DBHFPHFJEXZUNM-ZTYXWKCZSA-N 0 0 178.231 2.603 10 30 AFEERN CC(C)/C=C\C(=O)/C=C\Cl 307782694 572508760 /nfs/dbraw/zinc/50/87/60/572508760.db2.gz BUFMSEGRTTVGJQ-OUPQRBNQSA-N 0 0 158.628 2.520 10 30 AFEERN C=CCc1cc(N)ccc1OCCC 84193312 572508936 /nfs/dbraw/zinc/50/89/36/572508936.db2.gz OSOYMTQEGZRLFL-UHFFFAOYSA-N 0 0 191.274 2.786 10 30 AFEERN C=CCOc1ccc(N)cc1CC=C 84193354 572509076 /nfs/dbraw/zinc/50/90/76/572509076.db2.gz YIWIMSNMBNQWNG-UHFFFAOYSA-N 0 0 189.258 2.562 10 30 AFEERN CCCC[C@@H]1CC[C@@H](CC#N)O1 308042992 572509151 /nfs/dbraw/zinc/50/91/51/572509151.db2.gz OBQJJIQZZGWPSM-ZJUUUORDSA-N 0 0 167.252 2.638 10 30 AFEERN C=C[C@@H](O)C/C=C(/CC)C(C)(C)OC 238278489 572509170 /nfs/dbraw/zinc/50/91/70/572509170.db2.gz OMVYMAYOPQVVMC-HIJJYWJESA-N 0 0 198.306 2.685 10 30 AFEERN C=C(C)[C@@H](OC)c1ccccc1O 221808315 572509511 /nfs/dbraw/zinc/50/95/11/572509511.db2.gz JFZQEIVTBQFJTL-LLVKDONJSA-N 0 0 178.231 2.656 10 30 AFEERN C=CC#C[C@H](O)[C@@H](CC)/C(C)=C/C=C 238278418 572509623 /nfs/dbraw/zinc/50/96/23/572509623.db2.gz QQAQPHMGSAUNOV-WPPSVTIISA-N 0 0 190.286 2.695 10 30 AFEERN CC[C@@H](C#N)[C@H](O)CC1CCCCC1 87474683 572509662 /nfs/dbraw/zinc/50/96/62/572509662.db2.gz UJORNKNLKVWJSI-NWDGAFQWSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)=CC[C@H]1C=CC(=O)CC1 45071647 572509763 /nfs/dbraw/zinc/50/97/63/572509763.db2.gz ZMLBPNWFFDAOBW-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN CC[C@@H](C#N)[C@@H](O)CC1CCCCC1 87474687 572509872 /nfs/dbraw/zinc/50/98/72/572509872.db2.gz UJORNKNLKVWJSI-RYUDHWBXSA-N 0 0 195.306 2.867 10 30 AFEERN CCO[C@@H](C#N)CC1CCCCC1 87474567 572510084 /nfs/dbraw/zinc/51/00/84/572510084.db2.gz MBBOLIYPKXRTGR-LLVKDONJSA-N 0 0 181.279 2.885 10 30 AFEERN C=C[C@]12CCC[C@]1(C)C[C@H](C)C(=O)O2 307408274 572510152 /nfs/dbraw/zinc/51/01/52/572510152.db2.gz OTCXMOREVCAZSD-WCQGTBRESA-N 0 0 194.274 2.684 10 30 AFEERN C=CCC[C@@]1(C)CCC[C@@H]1O 307476814 572510193 /nfs/dbraw/zinc/51/01/93/572510193.db2.gz UYGVMCOZFKJKON-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C(F)(F)F)[C@@](C)(O)C(C)C 307484827 572510214 /nfs/dbraw/zinc/51/02/14/572510214.db2.gz INOOXUWMLPQZLF-ZETCQYMHSA-N 0 0 182.185 2.512 10 30 AFEERN CCO[C@H](C#N)CC1CCCCC1 87474565 572510371 /nfs/dbraw/zinc/51/03/71/572510371.db2.gz MBBOLIYPKXRTGR-NSHDSACASA-N 0 0 181.279 2.885 10 30 AFEERN C=C[C@H](O)C/C=C(/CC)C(C)(C)OC 238278446 572510524 /nfs/dbraw/zinc/51/05/24/572510524.db2.gz OMVYMAYOPQVVMC-IEHMKBBKSA-N 0 0 198.306 2.685 10 30 AFEERN CC(C)/C=C\C(=O)/C=C/Cl 307782691 572510572 /nfs/dbraw/zinc/51/05/72/572510572.db2.gz BUFMSEGRTTVGJQ-DNVGVPOPSA-N 0 0 158.628 2.520 10 30 AFEERN C#CCC(=O)C(C)(C)c1ccccc1 62772904 572510623 /nfs/dbraw/zinc/51/06/23/572510623.db2.gz UZSXMWYXWXBXTM-UHFFFAOYSA-N 0 0 186.254 2.557 10 30 AFEERN CCc1onc(-c2ccccc2)c1C#N 238277064 572510848 /nfs/dbraw/zinc/51/08/48/572510848.db2.gz NNKULDLLDWVDSI-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN CC[C@H](C#N)[C@@H](O)CC1CCCCC1 87474689 572510926 /nfs/dbraw/zinc/51/09/26/572510926.db2.gz UJORNKNLKVWJSI-NEPJUHHUSA-N 0 0 195.306 2.867 10 30 AFEERN C/C(=C\CCc1ccoc1)CC=O 308045701 572511159 /nfs/dbraw/zinc/51/11/59/572511159.db2.gz GIPJBJZNBLNOOS-XCVCLJGOSA-N 0 0 178.231 2.748 10 30 AFEERN C=C=CCC[C@@H]1C=CC(=O)CC1 196494377 572515363 /nfs/dbraw/zinc/51/53/63/572515363.db2.gz WOWFEMFKFDWUJJ-SNVBAGLBSA-N 0 0 162.232 2.643 10 30 AFEERN C=CCC(C)(C)[C@@H](C(C)=O)[C@H](O)CC 238278138 572511329 /nfs/dbraw/zinc/51/13/29/572511329.db2.gz AHPROZWXKZMIJZ-MNOVXSKESA-N 0 0 198.306 2.565 10 30 AFEERN CC[C@H](C#N)[C@H](O)CC1CCCCC1 87474685 572511520 /nfs/dbraw/zinc/51/15/20/572511520.db2.gz UJORNKNLKVWJSI-VXGBXAGGSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)/C=C/C(=O)/C=C\Cl 307782692 572511576 /nfs/dbraw/zinc/51/15/76/572511576.db2.gz BUFMSEGRTTVGJQ-ICWBMWKASA-N 0 0 158.628 2.520 10 30 AFEERN C#CCSCc1cc(F)cc(F)c1 307400621 572515478 /nfs/dbraw/zinc/51/54/78/572515478.db2.gz ARYJVUIOQMMYMI-UHFFFAOYSA-N 0 0 198.237 2.831 10 30 AFEERN C=C[C@@H]1C(=O)[C@@H]2CCC[C@H]2C1(C)C 307478797 572512028 /nfs/dbraw/zinc/51/20/28/572512028.db2.gz IZDMBVURGVLVMU-OPRDCNLKSA-N 0 0 178.275 2.814 10 30 AFEERN C#CC[C@@]12CCC[C@@H]([C@H]1O)C(C)(C)C2 307480097 572512126 /nfs/dbraw/zinc/51/21/26/572512126.db2.gz XHVBJTVKIJNMQU-LOWVWBTDSA-N 0 0 192.302 2.587 10 30 AFEERN C=CCCn1cc(C)c(C)c1 307415197 572512500 /nfs/dbraw/zinc/51/25/00/572512500.db2.gz MPZDPZMABPLEJV-UHFFFAOYSA-N 0 0 149.237 2.681 10 30 AFEERN C=CC[C@@H]1C[C@H]2CCC[C@H]2C1=O 307486571 572512508 /nfs/dbraw/zinc/51/25/08/572512508.db2.gz NGKCSIQBWYLPTF-OPRDCNLKSA-N 0 0 164.248 2.568 10 30 AFEERN CC[C@H](C)c1ccc(CC=O)cc1 238279704 572513155 /nfs/dbraw/zinc/51/31/55/572513155.db2.gz GHPNJOONBWHJBL-JTQLQIEISA-N 0 0 176.259 2.942 10 30 AFEERN C=C1CCCCC(=O)CCC1 196492433 572513275 /nfs/dbraw/zinc/51/32/75/572513275.db2.gz NUBNZGFXWKQTPR-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CC[C@H](C)CC(=O)/C=C\Cl 307783556 572513501 /nfs/dbraw/zinc/51/35/01/572513501.db2.gz CTCWOGJVFWGSLD-MJSGSUOKSA-N 0 0 160.644 2.744 10 30 AFEERN CCC(=O)/C=C/c1ccsc1C=O 308045747 572513664 /nfs/dbraw/zinc/51/36/64/572513664.db2.gz GPMOOLYNQBAFMY-ONEGZZNKSA-N 0 0 194.255 2.553 10 30 AFEERN C/C(=C\C(=O)C(C)C)CCCC=O 308049302 572513767 /nfs/dbraw/zinc/51/37/67/572513767.db2.gz GAZDBJZIWXYYPQ-CSKARUKUSA-N 0 0 182.263 2.527 10 30 AFEERN C[C@H](CC#N)SC1CCCC1 62829676 572514080 /nfs/dbraw/zinc/51/40/80/572514080.db2.gz LKMOGVSAHXVXRJ-MRVPVSSYSA-N 0 0 169.293 2.964 10 30 AFEERN CC[C@@H](C)CON=C1CCSC1 308047382 572514130 /nfs/dbraw/zinc/51/41/30/572514130.db2.gz QCCUEJKOMHXAGS-MRVPVSSYSA-N 0 0 187.308 2.542 10 30 AFEERN C=CC/C(=C\C[C@@H](C)O)CC 238279738 572514171 /nfs/dbraw/zinc/51/41/71/572514171.db2.gz JSVQEPMVTOUSJP-URLRMUCDSA-N 0 0 154.253 2.670 10 30 AFEERN C=CC/C(=C\C[C@H](C)O)CC 238279749 572514234 /nfs/dbraw/zinc/51/42/34/572514234.db2.gz JSVQEPMVTOUSJP-CUQRQBARSA-N 0 0 154.253 2.670 10 30 AFEERN C=C(C)C[C@H](O)c1sccc1F 307495477 572514351 /nfs/dbraw/zinc/51/43/51/572514351.db2.gz ITMSICBSQUSEHP-QMMMGPOBSA-N 0 0 186.251 2.887 10 30 AFEERN C[C@@H](C#N)SCC1CCCC1 62836068 572514418 /nfs/dbraw/zinc/51/44/18/572514418.db2.gz KSYNVHDAHRUOLN-QMMMGPOBSA-N 0 0 169.293 2.822 10 30 AFEERN Cc1nc(C(C)C)n(C(C)C)c1C#N 74271623 572514480 /nfs/dbraw/zinc/51/44/80/572514480.db2.gz TYLWESQIGFDEMO-UHFFFAOYSA-N 0 0 191.278 2.768 10 30 AFEERN C=C[C@H](C)[C@H]1CC[C@H](C)[C@H](O)C1 307437823 572514670 /nfs/dbraw/zinc/51/46/70/572514670.db2.gz MDPCNHPZBMCNRI-XWLWVQCSSA-N 0 0 168.280 2.606 10 30 AFEERN C=C1[C@@H]([C@@H](O)C(C)C)[C@@H]1C(C)(C)C 307401689 572514801 /nfs/dbraw/zinc/51/48/01/572514801.db2.gz DNOGMZCKYWFIFR-MXWKQRLJSA-N 0 0 182.307 2.852 10 30 AFEERN C[C@@H](CC#N)SC1CCCC1 62829675 572514936 /nfs/dbraw/zinc/51/49/36/572514936.db2.gz LKMOGVSAHXVXRJ-QMMMGPOBSA-N 0 0 169.293 2.964 10 30 AFEERN C=C[C@@H](C)[C@H]1CC[C@H](C)[C@@H](O)C1 307437818 572515035 /nfs/dbraw/zinc/51/50/35/572515035.db2.gz MDPCNHPZBMCNRI-RCWTZXSCSA-N 0 0 168.280 2.606 10 30 AFEERN C[C@H](C#N)SCC1CCCC1 62836069 572515105 /nfs/dbraw/zinc/51/51/05/572515105.db2.gz KSYNVHDAHRUOLN-MRVPVSSYSA-N 0 0 169.293 2.822 10 30 AFEERN C=C=CCC[C@H]1C=CC(=O)CC1 196494370 572515445 /nfs/dbraw/zinc/51/54/45/572515445.db2.gz WOWFEMFKFDWUJJ-JTQLQIEISA-N 0 0 162.232 2.643 10 30 AFEERN C#CCC1(CSC)CCC1 307444402 572515468 /nfs/dbraw/zinc/51/54/68/572515468.db2.gz DDEQPQDWELMBGF-UHFFFAOYSA-N 0 0 154.278 2.543 10 30 AFEERN CC[C@H](C)CON=C1CCSC1 308047388 572516059 /nfs/dbraw/zinc/51/60/59/572516059.db2.gz QCCUEJKOMHXAGS-QMMMGPOBSA-N 0 0 187.308 2.542 10 30 AFEERN C=C(C)CCNc1cccc(C)c1N 307478699 572516218 /nfs/dbraw/zinc/51/62/18/572516218.db2.gz FIRATWVAYUJHLI-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C=C[C@H]1[C@H]2CC[C@H](C(=O)C2)[C@H]1C=C 307401089 572516221 /nfs/dbraw/zinc/51/62/21/572516221.db2.gz ASNHUYVMPRNXNB-NAKRPEOUSA-N 0 0 176.259 2.590 10 30 AFEERN C=C(C)CN1CC[C@@H](C)C(F)(F)C1 307435252 572516434 /nfs/dbraw/zinc/51/64/34/572516434.db2.gz KKYXHIVMVOMVKH-SECBINFHSA-N 0 0 189.249 2.540 10 30 AFEERN C=CCc1cc(CCC)ccc1N 238281140 572516672 /nfs/dbraw/zinc/51/66/72/572516672.db2.gz OJZHEYXREQCHNF-UHFFFAOYSA-N 0 0 175.275 2.950 10 30 AFEERN CCSCCCCCCC=O 238282547 572517101 /nfs/dbraw/zinc/51/71/01/572517101.db2.gz KYCXFWHKTXEOTE-UHFFFAOYSA-N 0 0 174.309 2.889 10 30 AFEERN CC[C@H](C#N)N1CC[C@@H](CC(C)C)C1 307785551 572516789 /nfs/dbraw/zinc/51/67/89/572516789.db2.gz YRPHZXFGLWWHMA-NWDGAFQWSA-N 0 0 194.322 2.657 10 30 AFEERN C=C[C@]1(C)C[C@H](C)C[C@@H](C)[C@H]1CO 307424232 572516820 /nfs/dbraw/zinc/51/68/20/572516820.db2.gz NUFOKGQWRJKDLA-DDHJBXDOSA-N 0 0 182.307 2.853 10 30 AFEERN C=C[C@H](C)[C@@H](O)C#CC1CCCCC1 307441483 572516913 /nfs/dbraw/zinc/51/69/13/572516913.db2.gz APMPOHFIEKJRNH-AAEUAGOBSA-N 0 0 192.302 2.753 10 30 AFEERN Cc1nc(C2CCCC2)sc1C#N 74268540 572516999 /nfs/dbraw/zinc/51/69/99/572516999.db2.gz QTUHVQLNQYLUQI-UHFFFAOYSA-N 0 0 192.287 2.981 10 30 AFEERN N#Cc1cnsc1-c1cccs1 74268562 572517123 /nfs/dbraw/zinc/51/71/23/572517123.db2.gz KVHVMIHHVPXLFM-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN CC[C@@H]1C[C@]1(C=O)Cc1ccccc1 238281028 572517148 /nfs/dbraw/zinc/51/71/48/572517148.db2.gz CRBOJXSETXUDLA-OLZOCXBDSA-N 0 0 188.270 2.844 10 30 AFEERN C=CCCC(C)(C)[C@H](O)/C=C\C 308050694 572517685 /nfs/dbraw/zinc/51/76/85/572517685.db2.gz RXBPFSUUISATAR-BJPMOSCESA-N 0 0 168.280 2.916 10 30 AFEERN C[C@H](C#N)c1csc(CC2CC2)n1 74268545 572517659 /nfs/dbraw/zinc/51/76/59/572517659.db2.gz ILQSYGASSXHXHE-SSDOTTSWSA-N 0 0 192.287 2.723 10 30 AFEERN CC[C@@H](C#N)N1CC[C@H](CC(C)C)C1 307785548 572517735 /nfs/dbraw/zinc/51/77/35/572517735.db2.gz YRPHZXFGLWWHMA-NEPJUHHUSA-N 0 0 194.322 2.657 10 30 AFEERN C#C[C@@H](O)[C@@]1(C)C(=C)CCCC1(C)C 307420686 572517825 /nfs/dbraw/zinc/51/78/25/572517825.db2.gz HJNBJMAWSFSOTK-DGCLKSJQSA-N 0 0 192.302 2.753 10 30 AFEERN C=C1C=C([C@H](C)O)[C@@H]2C[C@H]1C2(C)C 307460359 572517829 /nfs/dbraw/zinc/51/78/29/572517829.db2.gz DWYRGSACXMLDBF-GDPRMGEGSA-N 0 0 178.275 2.526 10 30 AFEERN C=C[C@](C)(c1ccccc1)[C@@H](C)O 307484012 572517959 /nfs/dbraw/zinc/51/79/59/572517959.db2.gz HYWDYTKZKDXTOM-PWSUYJOCSA-N 0 0 176.259 2.511 10 30 AFEERN C=CCc1ccc(OCC)c(O)c1 238280662 572518215 /nfs/dbraw/zinc/51/82/15/572518215.db2.gz MXZXNBRMTKOAID-UHFFFAOYSA-N 0 0 178.231 2.519 10 30 AFEERN C=C[C@H](C)[C@H](O)C(=C)CCCC 308049497 572518324 /nfs/dbraw/zinc/51/83/24/572518324.db2.gz RGQMLFAQPBBGLP-ONGXEEELSA-N 0 0 168.280 2.916 10 30 AFEERN CC[C@H](C#N)N1CC[C@H](CC(C)C)C1 307785559 572518462 /nfs/dbraw/zinc/51/84/62/572518462.db2.gz YRPHZXFGLWWHMA-VXGBXAGGSA-N 0 0 194.322 2.657 10 30 AFEERN C=C[C@@H](C)[C@H](O)C(=C)CCCC 308049496 572518942 /nfs/dbraw/zinc/51/89/42/572518942.db2.gz RGQMLFAQPBBGLP-KOLCDFICSA-N 0 0 168.280 2.916 10 30 AFEERN C=CCCC(C)(C)[C@H](O)/C=C/C 308050702 572519391 /nfs/dbraw/zinc/51/93/91/572519391.db2.gz RXBPFSUUISATAR-QEHWCHDUSA-N 0 0 168.280 2.916 10 30 AFEERN N#Cc1cscc1-c1cscn1 74268559 572519415 /nfs/dbraw/zinc/51/94/15/572519415.db2.gz CZPOQWCNXWROSC-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN CC[C@@H](CC(C)C)C(=O)C1=COCC1 308051960 572519425 /nfs/dbraw/zinc/51/94/25/572519425.db2.gz FVTMQGNFZDHOIP-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=CC[C@@H](O)c1ccc(N)cc1Cl 307472557 572519504 /nfs/dbraw/zinc/51/95/04/572519504.db2.gz ZRPUQYALHXXDJZ-SNVBAGLBSA-N 0 0 197.665 2.532 10 30 AFEERN CC[C@H](CC(C)C)C(=O)C1=COCC1 308051961 572519648 /nfs/dbraw/zinc/51/96/48/572519648.db2.gz FVTMQGNFZDHOIP-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN CCC(=NO)c1ccc(C)cc1C 308050559 572519679 /nfs/dbraw/zinc/51/96/79/572519679.db2.gz BQRHIGRDVGEDLO-UHFFFAOYSA-N 0 0 177.247 2.892 10 30 AFEERN Cc1nc(CC(C)C)oc1[C@@H](C)C#N 74268980 572519799 /nfs/dbraw/zinc/51/97/99/572519799.db2.gz VXCVOJKBICNYRV-QMMMGPOBSA-N 0 0 192.262 2.809 10 30 AFEERN C=C(C)[C@@H]1CCC(=O)[C@@H]2CCC[C@@H]12 307410497 572519864 /nfs/dbraw/zinc/51/98/64/572519864.db2.gz GRFVJVRKXIZBLO-GARJFASQSA-N 0 0 178.275 2.958 10 30 AFEERN CCc1nc(CC#N)oc1CC(C)C 74268975 572520018 /nfs/dbraw/zinc/52/00/18/572520018.db2.gz HXRZSXITONKBQQ-UHFFFAOYSA-N 0 0 192.262 2.502 10 30 AFEERN N#CCCc1scc2c1CCCN2 74268557 572520078 /nfs/dbraw/zinc/52/00/78/572520078.db2.gz RXRYNEOBOPJCPV-UHFFFAOYSA-N 0 0 192.287 2.562 10 30 AFEERN C=C(C)C[C@](C)(CC)C(=O)OC 238287617 572520087 /nfs/dbraw/zinc/52/00/87/572520087.db2.gz BEAHNYCGKQEUOS-JTQLQIEISA-N 0 0 170.252 2.542 10 30 AFEERN C=C(C)C[C@@H](O)c1sccc1F 307494349 572520133 /nfs/dbraw/zinc/52/01/33/572520133.db2.gz ITMSICBSQUSEHP-MRVPVSSYSA-N 0 0 186.251 2.887 10 30 AFEERN C[C@@H](C#N)c1csc(CC2CC2)n1 74268542 572520193 /nfs/dbraw/zinc/52/01/93/572520193.db2.gz ILQSYGASSXHXHE-ZETCQYMHSA-N 0 0 192.287 2.723 10 30 AFEERN N#Cc1csnc1-c1cccs1 74268565 572520262 /nfs/dbraw/zinc/52/02/62/572520262.db2.gz XNVPSYSLHQQYST-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN C=CCCC(C)(C)[C@@H](O)/C=C/C 308050698 572520277 /nfs/dbraw/zinc/52/02/77/572520277.db2.gz RXBPFSUUISATAR-PCGIRMHASA-N 0 0 168.280 2.916 10 30 AFEERN C=C[C@H](C)Sc1cc(C#N)ccn1 307460335 572520383 /nfs/dbraw/zinc/52/03/83/572520383.db2.gz HKWIMXKPVPZMTG-QMMMGPOBSA-N 0 0 190.271 2.620 10 30 AFEERN C=C1C[C@@H]1[C@@H]1CCCC[C@H]1C(C)=O 307418012 572520471 /nfs/dbraw/zinc/52/04/71/572520471.db2.gz LWYKEPHDOVFVBC-TUAOUCFPSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(CO)[C@H]1[C@@H](C)CC[C@H]1C(=C)C 307421204 572520583 /nfs/dbraw/zinc/52/05/83/572520583.db2.gz ZTFJPFOXCPUYHI-ZMLRMANQSA-N 0 0 180.291 2.773 10 30 AFEERN CC[C@@](C)(CC=O)c1ccccc1 238287910 572520775 /nfs/dbraw/zinc/52/07/75/572520775.db2.gz AUJWJNKONBOIFQ-LBPRGKRZSA-N 0 0 176.259 2.943 10 30 AFEERN N#CCc1c[nH]c(C2CCCCC2)n1 74275587 572520868 /nfs/dbraw/zinc/52/08/68/572520868.db2.gz LAYSXYMQYJFVDF-UHFFFAOYSA-N 0 0 189.262 2.523 10 30 AFEERN CCC1(CC)CCN([C@@H](C)C#N)CC1 62953811 572521520 /nfs/dbraw/zinc/52/15/20/572521520.db2.gz OSACNSNWJMCNCW-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN Cc1ccc2nc(CC#N)sc2c1 45236781 572521702 /nfs/dbraw/zinc/52/17/02/572521702.db2.gz GPVIMRWUMNAAKJ-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN C=C(C)CN1CC[C@H](C)C(F)(F)C1 307435255 572521712 /nfs/dbraw/zinc/52/17/12/572521712.db2.gz KKYXHIVMVOMVKH-VIFPVBQESA-N 0 0 189.249 2.540 10 30 AFEERN Cc1ccc2sc(CC#N)nc2c1 45236787 572521971 /nfs/dbraw/zinc/52/19/71/572521971.db2.gz LWLRJKLEVFVUIL-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN N#Cc1cncc2c1Cc1ccccc1-2 74270051 572522102 /nfs/dbraw/zinc/52/21/02/572522102.db2.gz APAYOBKOVRFKPV-UHFFFAOYSA-N 0 0 192.221 2.524 10 30 AFEERN CCSC[C@H](C=O)C(C)(C)C 238285240 572522181 /nfs/dbraw/zinc/52/21/81/572522181.db2.gz TWFOHSCGHHVWMA-QMMMGPOBSA-N 0 0 174.309 2.601 10 30 AFEERN C=CC/C=C/[C@@H]1CCCCC1=O 307453995 572522185 /nfs/dbraw/zinc/52/21/85/572522185.db2.gz VXQVKNADAYNYPE-LJJSCBMDSA-N 0 0 164.248 2.878 10 30 AFEERN C=C1CC[C@@H]2CCC[C@H](O)[C@]2(C)C1 221807291 572522188 /nfs/dbraw/zinc/52/21/88/572522188.db2.gz CGWZVKWDJQPDJN-SDDRHHMPSA-N 0 0 180.291 2.894 10 30 AFEERN C[C@H](C#N)c1nc(C2CCCC2)c[nH]1 74275584 572522787 /nfs/dbraw/zinc/52/27/87/572522787.db2.gz ZJLLHXMRVRVBCO-MRVPVSSYSA-N 0 0 189.262 2.694 10 30 AFEERN CCO[C@H](CC=O)[C@@H]1CC=C(C)CC1 238287376 572523260 /nfs/dbraw/zinc/52/32/60/572523260.db2.gz TVWWMDONFGWGIV-VXGBXAGGSA-N 0 0 196.290 2.727 10 30 AFEERN C[C@@H](C#N)c1nc(C2CCCC2)c[nH]1 74275583 572523302 /nfs/dbraw/zinc/52/33/02/572523302.db2.gz ZJLLHXMRVRVBCO-QMMMGPOBSA-N 0 0 189.262 2.694 10 30 AFEERN Cc1cccc2nc(CC#N)sc12 45236783 572523493 /nfs/dbraw/zinc/52/34/93/572523493.db2.gz MZMZIAAVAOPDBH-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN C=CC[C@@H](OCC)C(=C)CCC=O 238287216 572524197 /nfs/dbraw/zinc/52/41/97/572524197.db2.gz YQWKDSJXWOKZJW-LLVKDONJSA-N 0 0 182.263 2.503 10 30 AFEERN CCO[C@H](CC=O)C1CCCCC1 238287321 572524449 /nfs/dbraw/zinc/52/44/49/572524449.db2.gz ZESOEVUZVNHTQT-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN CCO[C@H](CC=O)[C@@H]1CCC=C[C@@H]1C 238287360 572524560 /nfs/dbraw/zinc/52/45/60/572524560.db2.gz JCHUTUNVLVRVFN-QJPTWQEYSA-N 0 0 196.290 2.583 10 30 AFEERN CC(C)Oc1ccccc1CCC=O 87511738 572525222 /nfs/dbraw/zinc/52/52/22/572525222.db2.gz LPUZEMGOLLRJGM-UHFFFAOYSA-N 0 0 192.258 2.605 10 30 AFEERN CC[C@@](C)(C=O)c1cccc(OC)c1 238287503 572525529 /nfs/dbraw/zinc/52/55/29/572525529.db2.gz XEYIBQHASRISKK-LBPRGKRZSA-N 0 0 192.258 2.562 10 30 AFEERN C=C[C@@H](C)[C@H]1CC[C@@H](C)[C@H](O)C1 307437817 572525650 /nfs/dbraw/zinc/52/56/50/572525650.db2.gz MDPCNHPZBMCNRI-CHWFTXMASA-N 0 0 168.280 2.606 10 30 AFEERN CCO[C@H](CC=O)[C@H]1CC=C(C)CC1 238287342 572526065 /nfs/dbraw/zinc/52/60/65/572526065.db2.gz TVWWMDONFGWGIV-NWDGAFQWSA-N 0 0 196.290 2.727 10 30 AFEERN C#CC[C@@]12CCC[C@@H]([C@@H]1O)C(C)(C)C2 307480089 572526107 /nfs/dbraw/zinc/52/61/07/572526107.db2.gz XHVBJTVKIJNMQU-GVXVVHGQSA-N 0 0 192.302 2.587 10 30 AFEERN C=C1C[C@@H](O)C[C@H](C)[C@H]2CCC[C@@H]12 307467346 572526117 /nfs/dbraw/zinc/52/61/17/572526117.db2.gz LBXAXEZRSDZKKE-WHOHXGKFSA-N 0 0 180.291 2.750 10 30 AFEERN C=C[C@@H](C)[C@H](O)C#CC1CCCCC1 307441486 572526134 /nfs/dbraw/zinc/52/61/34/572526134.db2.gz APMPOHFIEKJRNH-DGCLKSJQSA-N 0 0 192.302 2.753 10 30 AFEERN CCOC[C@@]1(C=O)CCC[C@@H](CC)C1 317343500 572526835 /nfs/dbraw/zinc/52/68/35/572526835.db2.gz RWMNTWQFZIPYSR-NEPJUHHUSA-N 0 0 198.306 2.808 10 30 AFEERN CCOC[C@]1(C=O)CCC[C@H](CC)C1 317343502 572527509 /nfs/dbraw/zinc/52/75/09/572527509.db2.gz RWMNTWQFZIPYSR-NWDGAFQWSA-N 0 0 198.306 2.808 10 30 AFEERN N#Cc1cscc1Cc1ccco1 74275817 572527599 /nfs/dbraw/zinc/52/75/99/572527599.db2.gz AYARXXDPCDGMEU-UHFFFAOYSA-N 0 0 189.239 2.804 10 30 AFEERN CCc1c(C)cccc1C[C@@H](C)C=O 238291239 572528664 /nfs/dbraw/zinc/52/86/64/572528664.db2.gz UFOYQFCHKDDHPL-SNVBAGLBSA-N 0 0 190.286 2.935 10 30 AFEERN CC[C@@](C)(O)C#Cc1csc(C)c1 307484588 572528647 /nfs/dbraw/zinc/52/86/47/572528647.db2.gz TWQSNNOLMBATIO-LLVKDONJSA-N 0 0 194.299 2.569 10 30 AFEERN C=C(C)[C@]1(C)C[C@@]2(C)C[C@H]2C1=O 307405627 572528811 /nfs/dbraw/zinc/52/88/11/572528811.db2.gz FDTPMFCOZKEGTO-GDPRMGEGSA-N 0 0 164.248 2.568 10 30 AFEERN CCc1c(C)cccc1C[C@H](C)C=O 238291289 572528952 /nfs/dbraw/zinc/52/89/52/572528952.db2.gz UFOYQFCHKDDHPL-JTQLQIEISA-N 0 0 190.286 2.935 10 30 AFEERN C=CCSCc1cccc(CO)c1 76980329 572529477 /nfs/dbraw/zinc/52/94/77/572529477.db2.gz TYRKEISGODJKOE-UHFFFAOYSA-N 0 0 194.299 2.598 10 30 AFEERN C=CCSC(=S)[N-][C@H](C)CC 238292089 572529757 /nfs/dbraw/zinc/52/97/57/572529757.db2.gz OLQZUSPAXOFFEO-SSDOTTSWSA-N 0 0 189.349 2.579 10 30 AFEERN C=C[C@H]1C(=C)C[C@@H]2[C@H](O)CCC[C@]12C 307460444 572530434 /nfs/dbraw/zinc/53/04/34/572530434.db2.gz DZBSGFTUJCKKLZ-UMSGYPCISA-N 0 0 192.302 2.916 10 30 AFEERN CCO[C@@H](c1ccco1)[C@H](C=O)CC 238292251 572530479 /nfs/dbraw/zinc/53/04/79/572530479.db2.gz YNJYBUACTAZSSZ-GXSJLCMTSA-N 0 0 196.246 2.582 10 30 AFEERN CC/C=C\[C@H](CC)CC=O 90669526 572530720 /nfs/dbraw/zinc/53/07/20/572530720.db2.gz BQIJRWIQQQTFQM-UDIARPCQSA-N 0 0 140.226 2.568 10 30 AFEERN CCO[C@@H](c1ccco1)[C@@H](C=O)CC 238292385 572530844 /nfs/dbraw/zinc/53/08/44/572530844.db2.gz YNJYBUACTAZSSZ-MWLCHTKSSA-N 0 0 196.246 2.582 10 30 AFEERN CC[C@H](C=O)c1ccc(C(C)=O)cc1 238291466 572531006 /nfs/dbraw/zinc/53/10/06/572531006.db2.gz NSTBAVWIVRVPOH-SNVBAGLBSA-N 0 0 190.242 2.582 10 30 AFEERN CC/C=C\[C@@H](CC)CC=O 90669524 572531332 /nfs/dbraw/zinc/53/13/32/572531332.db2.gz BQIJRWIQQQTFQM-SSJHQANKSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@H]1CCCC=CC(=O)C1 238290307 572531646 /nfs/dbraw/zinc/53/16/46/572531646.db2.gz GQWGLPKDGYGOMK-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)Oc1ccc([C@H](C)C=O)cc1 84324933 572532005 /nfs/dbraw/zinc/53/20/05/572532005.db2.gz KKMHDGSLZHBQNL-SNVBAGLBSA-N 0 0 192.258 2.776 10 30 AFEERN CC[C@](C)(S)CC[C@H](O)C(C)C 238292955 572532246 /nfs/dbraw/zinc/53/22/46/572532246.db2.gz WSYCVIFRDMURBX-UWVGGRQHSA-N 0 0 190.352 2.882 10 30 AFEERN N#CCc1ncc(C2CCCCC2)o1 74274240 572532350 /nfs/dbraw/zinc/53/23/50/572532350.db2.gz QLZGESWQGJUFCM-UHFFFAOYSA-N 0 0 190.246 2.788 10 30 AFEERN C=C(C(F)(F)F)[C@](C)(O)C(C)C 307484825 572532505 /nfs/dbraw/zinc/53/25/05/572532505.db2.gz INOOXUWMLPQZLF-SSDOTTSWSA-N 0 0 182.185 2.512 10 30 AFEERN CCCOc1ccc([C@@H](C)C=O)cc1 84325009 572533099 /nfs/dbraw/zinc/53/30/99/572533099.db2.gz QSRQGCUWRUBXCS-JTQLQIEISA-N 0 0 192.258 2.778 10 30 AFEERN C=CC#C[C@H](O)[C@H](CC)/C(C)=C/C=C 238293141 572533231 /nfs/dbraw/zinc/53/32/31/572533231.db2.gz QQAQPHMGSAUNOV-SDGMYFCLSA-N 0 0 190.286 2.695 10 30 AFEERN CCCOc1ccc([C@H](C)C=O)cc1 84325013 572533257 /nfs/dbraw/zinc/53/32/57/572533257.db2.gz QSRQGCUWRUBXCS-SNVBAGLBSA-N 0 0 192.258 2.778 10 30 AFEERN C=C[C@@H](COCC)c1ccccc1O 238291010 572533458 /nfs/dbraw/zinc/53/34/58/572533458.db2.gz AJFOKTDHAPICTB-JTQLQIEISA-N 0 0 192.258 2.698 10 30 AFEERN CC[C@](C)(S)CC[C@@H](O)C(C)C 238292941 572533592 /nfs/dbraw/zinc/53/35/92/572533592.db2.gz WSYCVIFRDMURBX-ZJUUUORDSA-N 0 0 190.352 2.882 10 30 AFEERN C#CCCNc1ccc2ccoc2c1 307435889 572533737 /nfs/dbraw/zinc/53/37/37/572533737.db2.gz SLJICKPHMAPUQT-UHFFFAOYSA-N 0 0 185.226 2.868 10 30 AFEERN C=C[C@H]1C[C@@H]2C(=O)CCC[C@@H]2C1 307426741 572534478 /nfs/dbraw/zinc/53/44/78/572534478.db2.gz RSPARVOVRPCCNI-BBBLOLIVSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1nc(SC[C@H](C)C#N)oc1C 235137264 572534500 /nfs/dbraw/zinc/53/45/00/572534500.db2.gz IIBOVHXHHPLUNA-ZCFIWIBFSA-N 0 0 196.275 2.543 10 30 AFEERN Cc1occc1SC[C@H](C)C#N 235136105 572534826 /nfs/dbraw/zinc/53/48/26/572534826.db2.gz IJHRUARKTKYAMK-SSDOTTSWSA-N 0 0 181.260 2.840 10 30 AFEERN C=CCC[C@@]1(C)CCC[C@H]1O 307476821 572534838 /nfs/dbraw/zinc/53/48/38/572534838.db2.gz UYGVMCOZFKJKON-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@H](C)[C@H](/C=C/C=C/CO)CC 238296309 572534997 /nfs/dbraw/zinc/53/49/97/572534997.db2.gz AROSVLPQKROQTN-HGQAQQBSSA-N 0 0 180.291 2.939 10 30 AFEERN CCc1cc(C#N)cnc1CC(C)C 74276940 572535063 /nfs/dbraw/zinc/53/50/63/572535063.db2.gz VFASGSKMDOBRQK-UHFFFAOYSA-N 0 0 188.274 2.714 10 30 AFEERN C=CCCN(C)c1ccccc1C#N 87502974 572535081 /nfs/dbraw/zinc/53/50/81/572535081.db2.gz HXNGTYIRJBIYKJ-UHFFFAOYSA-N 0 0 186.258 2.571 10 30 AFEERN CC(=O)/C=C\c1ccc2ncccc2c1 90194144 572535176 /nfs/dbraw/zinc/53/51/76/572535176.db2.gz GMEDQTLBRSEUAM-PLNGDYQASA-N 0 0 197.237 2.837 10 30 AFEERN CCCCc1cc(CC)c(C#N)cn1 74276960 572535211 /nfs/dbraw/zinc/53/52/11/572535211.db2.gz LQGIDZMRVHOOCU-UHFFFAOYSA-N 0 0 188.274 2.858 10 30 AFEERN C=CCCC(CC)=NN(C)CC 308052680 572535500 /nfs/dbraw/zinc/53/55/00/572535500.db2.gz SSGOORMHZSUXON-UHFFFAOYSA-N 0 0 168.284 2.670 10 30 AFEERN CCc1cc(C#N)cnc1C(C)(C)C 74276932 572535589 /nfs/dbraw/zinc/53/55/89/572535589.db2.gz JHBJBDJXMRIZOU-UHFFFAOYSA-N 0 0 188.274 2.813 10 30 AFEERN C=CCc1cn(C#N)c2ccccc12 307438755 572535617 /nfs/dbraw/zinc/53/56/17/572535617.db2.gz UKPOPIDLYCXIAM-UHFFFAOYSA-N 0 0 182.226 2.699 10 30 AFEERN CCCN[C@@H](C#N)C1CCCCCC1 84329646 572535912 /nfs/dbraw/zinc/53/59/12/572535912.db2.gz YXVZPGQMJQRPJH-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN C=C(C)CCNc1ccc(C)c(N)c1 307432725 572535999 /nfs/dbraw/zinc/53/59/99/572535999.db2.gz ZZPBONDQGFJAER-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C=CCN[C@H](C#N)C1CCCCCC1 84329746 572536015 /nfs/dbraw/zinc/53/60/15/572536015.db2.gz PIWFLZYBQBCVQO-GFCCVEGCSA-N 0 0 192.306 2.625 10 30 AFEERN C=C[C@]1(C)C[C@H](C)C[C@H](C)[C@H]1CO 307424238 572536065 /nfs/dbraw/zinc/53/60/65/572536065.db2.gz NUFOKGQWRJKDLA-WRWGMCAJSA-N 0 0 182.307 2.853 10 30 AFEERN Cc1c(C#N)cnc(CC(C)C)c1C 74276925 572536072 /nfs/dbraw/zinc/53/60/72/572536072.db2.gz HKQZJYOKDJFRBH-UHFFFAOYSA-N 0 0 188.274 2.769 10 30 AFEERN Cc1ncoc1-c1cscc1C#N 74274457 572536404 /nfs/dbraw/zinc/53/64/04/572536404.db2.gz YNZIBOOZMKPPHQ-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN Cc1nsc(-c2ccco2)c1C#N 74274481 572536706 /nfs/dbraw/zinc/53/67/06/572536706.db2.gz NKFWHNKBOJXUTQ-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C=CCN[C@@H](C#N)C1CCCCCC1 84329744 572536740 /nfs/dbraw/zinc/53/67/40/572536740.db2.gz PIWFLZYBQBCVQO-LBPRGKRZSA-N 0 0 192.306 2.625 10 30 AFEERN CCCN[C@H](C#N)C1CCCCCC1 84329648 572536907 /nfs/dbraw/zinc/53/69/07/572536907.db2.gz YXVZPGQMJQRPJH-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN N#CCCCCCC/C=C/CC=O 308053147 572537183 /nfs/dbraw/zinc/53/71/83/572537183.db2.gz MZJYMVHDRUULHI-FNORWQNLSA-N 0 0 179.263 2.996 10 30 AFEERN C=CCC[C@]1(C)CCC[C@H]1O 307476810 572537516 /nfs/dbraw/zinc/53/75/16/572537516.db2.gz UYGVMCOZFKJKON-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@@H]1CC[C@H](C=C)[C@@]1(C)CC=O 308052938 572537703 /nfs/dbraw/zinc/53/77/03/572537703.db2.gz IIEOACRBFDVKRV-GDNZZTSVSA-N 0 0 178.275 2.980 10 30 AFEERN C=C[C@@H]1CC[C@H](C=C)[C@]1(C)CC=O 308052939 572537566 /nfs/dbraw/zinc/53/75/66/572537566.db2.gz IIEOACRBFDVKRV-ZSBIGDGJSA-N 0 0 178.275 2.980 10 30 AFEERN C=CC[C@@H]1C[C@@H]2CCC[C@H]2C1=O 307486570 572537605 /nfs/dbraw/zinc/53/76/05/572537605.db2.gz NGKCSIQBWYLPTF-IVZWLZJFSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1c(C#N)cnc(C(C)(C)C)c1C 74276936 572537726 /nfs/dbraw/zinc/53/77/26/572537726.db2.gz PZCWYOODSQNKOL-UHFFFAOYSA-N 0 0 188.274 2.868 10 30 AFEERN Cc1nocc1-c1cscc1C#N 74274459 572537773 /nfs/dbraw/zinc/53/77/73/572537773.db2.gz NPXLCFIACXVWSM-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN N#CCSc1cccc2[nH]ccc12 196825250 572537775 /nfs/dbraw/zinc/53/77/75/572537775.db2.gz BJYRAFCDKTUGTR-UHFFFAOYSA-N 0 0 188.255 2.784 10 30 AFEERN Cc1cc(CC(C)(C)C)c(C#N)cn1 74276952 572537898 /nfs/dbraw/zinc/53/78/98/572537898.db2.gz MMDXEXJKHYJGNX-UHFFFAOYSA-N 0 0 188.274 2.850 10 30 AFEERN CC(C)(C)CCCC[C@H]1CO1 163533493 572538010 /nfs/dbraw/zinc/53/80/10/572538010.db2.gz WPPDYUTZYZXBMV-VIFPVBQESA-N 0 0 156.269 2.992 10 30 AFEERN CC1=CC[C@@]2(C)C=CC(=O)C[C@H]2C1 196822483 572538057 /nfs/dbraw/zinc/53/80/57/572538057.db2.gz QYLWAPKDKHSKPV-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@H](C)Sc1nccs1 307457793 572538157 /nfs/dbraw/zinc/53/81/57/572538157.db2.gz ZSRMGIOIOHPWMO-ZCFIWIBFSA-N 0 0 171.290 2.810 10 30 AFEERN C=CC[C@@H]([NH3+])c1nc(C)c(CC)s1 238295682 572538305 /nfs/dbraw/zinc/53/83/05/572538305.db2.gz WLQZCOKPFPJKNB-MRVPVSSYSA-N 0 0 196.319 2.590 10 30 AFEERN C=C(CC)C1=C[C@H]2C[C@@H](O)C[C@H]2C1 307481681 572538364 /nfs/dbraw/zinc/53/83/64/572538364.db2.gz YLERBGZQNKQYGG-QJPTWQEYSA-N 0 0 178.275 2.670 10 30 AFEERN C=C1CC(CCO)=C([Si](C)(C)C)C1 196822233 572538494 /nfs/dbraw/zinc/53/84/94/572538494.db2.gz QHWWEKNMCYKDHV-UHFFFAOYSA-N 0 0 196.366 2.893 10 30 AFEERN C=CCC(=O)[C@H]1CC2CCC1CC2 307480399 572538858 /nfs/dbraw/zinc/53/88/58/572538858.db2.gz KCXZGFZVPPCLME-ILDUYXDCSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@](O)(CC)C(C)(C)C 307446494 572539017 /nfs/dbraw/zinc/53/90/17/572539017.db2.gz GVVKEOLPJYSLOW-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN CC1=CC[C@]2(C)C=CC(=O)C[C@@H]2C1 196822462 572539169 /nfs/dbraw/zinc/53/91/69/572539169.db2.gz QYLWAPKDKHSKPV-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC[C@@]2(C)C=CC(=O)C[C@@H]2C1 196822471 572539773 /nfs/dbraw/zinc/53/97/73/572539773.db2.gz QYLWAPKDKHSKPV-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CCCN[C@@H](C#N)C1CCC(C)CC1 84339559 572540169 /nfs/dbraw/zinc/54/01/69/572540169.db2.gz SYCJQBGZDGAHGD-MCIGGMRASA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@H](C#N)C(=O)CCC=C(C)C 238298735 572540412 /nfs/dbraw/zinc/54/04/12/572540412.db2.gz JHKMFUXCUYCEHZ-SNVBAGLBSA-N 0 0 179.263 2.852 10 30 AFEERN CC1=CC(C)(C)[C@H](CC=O)CC1 196833488 572540548 /nfs/dbraw/zinc/54/05/48/572540548.db2.gz HYBJWQFYVLNTCE-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@](O)(CC)c1ccc(O)cc1 238298770 572540566 /nfs/dbraw/zinc/54/05/66/572540566.db2.gz GWDVAJWOFHGTTE-LBPRGKRZSA-N 0 0 192.258 2.566 10 30 AFEERN C=CC(C)(C)CNc1cc[nH+]cc1 307542804 572540624 /nfs/dbraw/zinc/54/06/24/572540624.db2.gz AVKIUTSVUBBVBW-UHFFFAOYSA-N 0 0 176.263 2.706 10 30 AFEERN CCC(=O)C(C)(C)[C@H](CC)CC=O 238297257 572541974 /nfs/dbraw/zinc/54/19/74/572541974.db2.gz TYTPKFXCHPCNON-SECBINFHSA-N 0 0 184.279 2.607 10 30 AFEERN O=C[C@@H]1CCCC[C@]12CCCC(=O)C2 196840133 572543017 /nfs/dbraw/zinc/54/30/17/572543017.db2.gz OFNKPJDEYRBPSS-CMPLNLGQSA-N 0 0 194.274 2.505 10 30 AFEERN C=CC[C@@H](O)c1cc(C)cnc1Cl 307538203 572542137 /nfs/dbraw/zinc/54/21/37/572542137.db2.gz KADQOIZHGDXUBA-SECBINFHSA-N 0 0 197.665 2.653 10 30 AFEERN CC(=O)/C(C)=N/c1ccc(F)cc1 196839350 572542177 /nfs/dbraw/zinc/54/21/77/572542177.db2.gz GQGNHQNPRWTBGY-KPKJPENVSA-N 0 0 179.194 2.507 10 30 AFEERN O=C[C@H]1CCCC[C@]12CCCC(=O)C2 196840151 572542463 /nfs/dbraw/zinc/54/24/63/572542463.db2.gz OFNKPJDEYRBPSS-ZYHUDNBSSA-N 0 0 194.274 2.505 10 30 AFEERN CC1=CC(C)(C)[C@@H](CC=O)CC1 196833501 572542478 /nfs/dbraw/zinc/54/24/78/572542478.db2.gz HYBJWQFYVLNTCE-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=C)C[C@H](O)[C@@H](C)CC 238299097 572542558 /nfs/dbraw/zinc/54/25/58/572542558.db2.gz DSCDQPGDYNWTNV-UWVGGRQHSA-N 0 0 154.253 2.526 10 30 AFEERN O=C[C@@H]1CCCC[C@@]12CCCC(=O)C2 196840122 572542609 /nfs/dbraw/zinc/54/26/09/572542609.db2.gz OFNKPJDEYRBPSS-JQWIXIFHSA-N 0 0 194.274 2.505 10 30 AFEERN CC#CCNc1c(C)cc(C)cc1F 307521809 572542637 /nfs/dbraw/zinc/54/26/37/572542637.db2.gz WNPSYCVVGQFAAY-UHFFFAOYSA-N 0 0 191.249 2.878 10 30 AFEERN C=CCOc1nccc2ccccc12 307594605 572544538 /nfs/dbraw/zinc/54/45/38/572544538.db2.gz IZZALBVPLXPNGJ-UHFFFAOYSA-N 0 0 185.226 2.800 10 30 AFEERN CCc1cccc(C[C@H](C)C=O)c1F 238299866 572542707 /nfs/dbraw/zinc/54/27/07/572542707.db2.gz UEODCTVUXCLZSR-VIFPVBQESA-N 0 0 194.249 2.766 10 30 AFEERN O=C[C@H]1CCCC[C@@]12CCCC(=O)C2 196840143 572542730 /nfs/dbraw/zinc/54/27/30/572542730.db2.gz OFNKPJDEYRBPSS-PWSUYJOCSA-N 0 0 194.274 2.505 10 30 AFEERN C=CC[C@H](C)Nc1cnc(Cl)cn1 307579482 572542732 /nfs/dbraw/zinc/54/27/32/572542732.db2.gz VDJHVLAYWMXIFP-ZETCQYMHSA-N 0 0 197.669 2.507 10 30 AFEERN CCc1cccc(C[C@@H](C)C=O)c1F 238299787 572542984 /nfs/dbraw/zinc/54/29/84/572542984.db2.gz UEODCTVUXCLZSR-SECBINFHSA-N 0 0 194.249 2.766 10 30 AFEERN C=C[C@H]1C[C@@](C)(c2ccccc2)[C@@H]1O 307590701 572543075 /nfs/dbraw/zinc/54/30/75/572543075.db2.gz GRXHYXXUXQHLGG-UHTWSYAYSA-N 0 0 188.270 2.511 10 30 AFEERN CC1=CC[C@H](CC=O)C(C)(C)C1 196833463 572543253 /nfs/dbraw/zinc/54/32/53/572543253.db2.gz NWDMCIXTDCIBAQ-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H](C=O)CCC=C(C)C 238298210 572543341 /nfs/dbraw/zinc/54/33/41/572543341.db2.gz VWPVXKGGZPKHJY-SNVBAGLBSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(C)C[C@H](O)CCC(C)(F)F 714008934 572543894 /nfs/dbraw/zinc/54/38/94/572543894.db2.gz MXIDNBWOMKFAOO-MRVPVSSYSA-N 0 0 178.222 2.749 10 30 AFEERN C=C[C@@H](C)Sc1nc2c([nH]1)CCC2 307582519 572544025 /nfs/dbraw/zinc/54/40/25/572544025.db2.gz VJIRISITJPAJFT-SSDOTTSWSA-N 0 0 194.303 2.565 10 30 AFEERN CC[C@@H]1CCCC=CC(=O)C1 238305049 572544072 /nfs/dbraw/zinc/54/40/72/572544072.db2.gz GQWGLPKDGYGOMK-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC1CCC(C)(C(=O)OCC)CC1 238301309 572544107 /nfs/dbraw/zinc/54/41/07/572544107.db2.gz JERHSEPHORDPRQ-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN CC[C@H](C)[C@@H]1O[C@@H](CC=O)C=C[C@@H]1C 238301230 572544133 /nfs/dbraw/zinc/54/41/33/572544133.db2.gz LFTMEDGCUKSGOK-YFKTTZPYSA-N 0 0 196.290 2.581 10 30 AFEERN C#C[C@@H]1CCCC[C@@H]1CC 307541695 572544156 /nfs/dbraw/zinc/54/41/56/572544156.db2.gz ONDWGULTSNVWGR-ZJUUUORDSA-N 0 0 136.238 2.836 10 30 AFEERN C=C(C)[C@@H](O)C1(OC)CCC(C)CC1 307511640 572544183 /nfs/dbraw/zinc/54/41/83/572544183.db2.gz CHAUFKLINHGUHD-MOENNCHZSA-N 0 0 198.306 2.519 10 30 AFEERN CC[C@@](CC=O)(OC)c1ccccc1 238301000 572544230 /nfs/dbraw/zinc/54/42/30/572544230.db2.gz QWLPVDLMCWUZAV-LBPRGKRZSA-N 0 0 192.258 2.527 10 30 AFEERN CC[C@@](C)(S)CC[C@@H](O)C(C)C 238300236 572544286 /nfs/dbraw/zinc/54/42/86/572544286.db2.gz WSYCVIFRDMURBX-NXEZZACHSA-N 0 0 190.352 2.882 10 30 AFEERN C=C[C@@H](C)Nc1ccc2c(c1)CCO2 307564352 572544405 /nfs/dbraw/zinc/54/44/05/572544405.db2.gz QDJZGXTYJMGVEB-SECBINFHSA-N 0 0 189.258 2.608 10 30 AFEERN CC[C@@](C=O)(SC)c1ccccc1 238300400 572544592 /nfs/dbraw/zinc/54/45/92/572544592.db2.gz RVMPULZWXUCQIV-NSHDSACASA-N 0 0 194.299 2.854 10 30 AFEERN CCc1c(F)cccc1C[C@H](C)C=O 238300208 572544722 /nfs/dbraw/zinc/54/47/22/572544722.db2.gz STJQANTXAPLCBF-VIFPVBQESA-N 0 0 194.249 2.766 10 30 AFEERN C=C(C)C[C@@H](O)CCC(C)(F)F 714008990 572545030 /nfs/dbraw/zinc/54/50/30/572545030.db2.gz MXIDNBWOMKFAOO-QMMMGPOBSA-N 0 0 178.222 2.749 10 30 AFEERN CC[C@@H]1CNc2ccc(C#N)cc2C1 74280282 572545039 /nfs/dbraw/zinc/54/50/39/572545039.db2.gz CXWIYLXGWPOFTL-VIFPVBQESA-N 0 0 186.258 2.552 10 30 AFEERN CC[C@@H]1CNc2cccc(C#N)c2C1 74280274 572545050 /nfs/dbraw/zinc/54/50/50/572545050.db2.gz NZWFSDPSIMXCBZ-VIFPVBQESA-N 0 0 186.258 2.552 10 30 AFEERN Cc1oc(-c2cc[nH]c2)cc1CC#N 74280631 572545073 /nfs/dbraw/zinc/54/50/73/572545073.db2.gz WSOVRHQNUCNSTI-UHFFFAOYSA-N 0 0 186.214 2.649 10 30 AFEERN CCc1c(F)cccc1C[C@@H](C)C=O 238300165 572545130 /nfs/dbraw/zinc/54/51/30/572545130.db2.gz STJQANTXAPLCBF-SECBINFHSA-N 0 0 194.249 2.766 10 30 AFEERN N#Cc1cscc1-c1ccncc1 74280439 572545851 /nfs/dbraw/zinc/54/58/51/572545851.db2.gz XZJNUHCNTVLPGK-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN CC[C@H]1CNc2cccc(C#N)c2C1 74280271 572546058 /nfs/dbraw/zinc/54/60/58/572546058.db2.gz NZWFSDPSIMXCBZ-SECBINFHSA-N 0 0 186.258 2.552 10 30 AFEERN N#Cc1cscc1-c1cccnc1 74280438 572546070 /nfs/dbraw/zinc/54/60/70/572546070.db2.gz DHVHQELKKMHQGT-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN C=C(COC)C(=O)[C@@H](CC)CC(C)C 308060520 572546675 /nfs/dbraw/zinc/54/66/75/572546675.db2.gz XWRQESKLLMHRPZ-NSHDSACASA-N 0 0 198.306 2.830 10 30 AFEERN C=C[C@@H]1[C@H](O)C(C)(C)C=C[C@H]1C(=C)C 307535630 572546817 /nfs/dbraw/zinc/54/68/17/572546817.db2.gz NKNPFEJVMJQHAS-SRVKXCTJSA-N 0 0 192.302 2.938 10 30 AFEERN C=C[C@H]1[C@H]2CC(C)(C)C[C@@H]2C[C@H]1CO 307527485 572546782 /nfs/dbraw/zinc/54/67/82/572546782.db2.gz SELGYUFHWLYJNJ-YFKTTZPYSA-N 0 0 194.318 2.853 10 30 AFEERN N#Cc1cscc1-c1ccccn1 74280435 572546794 /nfs/dbraw/zinc/54/67/94/572546794.db2.gz BBBKNEZACSCAAM-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN CC(C)c1cc(C#N)cnc1C1CC1 74280397 572546842 /nfs/dbraw/zinc/54/68/42/572546842.db2.gz FXOUDCGXQYLRSM-UHFFFAOYSA-N 0 0 186.258 2.954 10 30 AFEERN C=C(CC[C@@H](O)CC)c1cccnc1 238306427 572546967 /nfs/dbraw/zinc/54/69/67/572546967.db2.gz SQQMPNJWCIMAOE-LBPRGKRZSA-N 0 0 191.274 2.646 10 30 AFEERN CCO[C@@](C#N)(CC)c1ccccc1 238306106 572546975 /nfs/dbraw/zinc/54/69/75/572546975.db2.gz XTAJGILTMUGLRF-GFCCVEGCSA-N 0 0 189.258 2.852 10 30 AFEERN C=C[C@@H](c1ccccc1)[C@H](CC)CO 238310570 572547612 /nfs/dbraw/zinc/54/76/12/572547612.db2.gz JRJRIDCLEYXQGG-DGCLKSJQSA-N 0 0 190.286 2.975 10 30 AFEERN C=CCCC(C)(C)C(=O)C[C@@H](O)CC 238305961 572547687 /nfs/dbraw/zinc/54/76/87/572547687.db2.gz IDTSAGOXGPLXBQ-JTQLQIEISA-N 0 0 198.306 2.709 10 30 AFEERN CC[C@H](C)CCCC#C[C@@H](C)O 238309370 572547821 /nfs/dbraw/zinc/54/78/21/572547821.db2.gz QZVLUTNCTQHDET-WDEREUQCSA-N 0 0 168.280 2.587 10 30 AFEERN C=C1[C@H](C)CC[C@H](CO)C1(C)C 307522772 572547845 /nfs/dbraw/zinc/54/78/45/572547845.db2.gz PSGJUFVFCYNNIA-PSASIEDQSA-N 0 0 168.280 2.607 10 30 AFEERN CC#C[C@@H](O)C1CCC(C)(C)CC1 307589127 572547932 /nfs/dbraw/zinc/54/79/32/572547932.db2.gz ZNJJGFWFJNFTJY-LLVKDONJSA-N 0 0 180.291 2.587 10 30 AFEERN C=CCC(C)(C)[C@H](C(C)=O)[C@@H](O)CC 238309711 572548151 /nfs/dbraw/zinc/54/81/51/572548151.db2.gz AHPROZWXKZMIJZ-WDEREUQCSA-N 0 0 198.306 2.565 10 30 AFEERN C#C[C@@H](O)c1ccc2sccc2c1 307599077 572548211 /nfs/dbraw/zinc/54/82/11/572548211.db2.gz PRLSTXDTFSUXDA-SNVBAGLBSA-N 0 0 188.251 2.568 10 30 AFEERN C=C(COC)C(=O)[C@H](CC)CC(C)C 308060518 572548216 /nfs/dbraw/zinc/54/82/16/572548216.db2.gz XWRQESKLLMHRPZ-LLVKDONJSA-N 0 0 198.306 2.830 10 30 AFEERN C=C(C)CCC(=O)CC(C)C 87521474 572548243 /nfs/dbraw/zinc/54/82/43/572548243.db2.gz ZTGLDZPPLWDIIN-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=CC[C@H](C(=O)NC)C1CCCCC1 238309054 572548254 /nfs/dbraw/zinc/54/82/54/572548254.db2.gz UYEGYXYDQVXKSS-NSHDSACASA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCC(=O)CCC[C@@H](O)CC 238306585 572548370 /nfs/dbraw/zinc/54/83/70/572548370.db2.gz BZIPPGZYDGOYRQ-NSHDSACASA-N 0 0 198.306 2.853 10 30 AFEERN C=C[C@@H](C)Oc1cc(F)ccc1F 307561263 572548466 /nfs/dbraw/zinc/54/84/66/572548466.db2.gz YMMICRVMJSTGMS-SSDOTTSWSA-N 0 0 184.185 2.918 10 30 AFEERN C=C(C)CC[C@H](O)CC(C)C 87522922 572548556 /nfs/dbraw/zinc/54/85/56/572548556.db2.gz FHYPNECFXQZCNR-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN CCO[C@](C)(CC=O)c1ccccc1 238305906 572548605 /nfs/dbraw/zinc/54/86/05/572548605.db2.gz GEPBLKLCHWHZSS-GFCCVEGCSA-N 0 0 192.258 2.527 10 30 AFEERN C=CCC[C@H]1CC[C@H](CC)C1=O 238309522 572548647 /nfs/dbraw/zinc/54/86/47/572548647.db2.gz WLMDAGWTJYVANA-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC(C)(C)[C@@H](C(C)=O)[C@@H](O)CC 238312689 572548766 /nfs/dbraw/zinc/54/87/66/572548766.db2.gz AHPROZWXKZMIJZ-QWRGUYRKSA-N 0 0 198.306 2.565 10 30 AFEERN CC[C@]1(CCCC=O)CCCCC1=O 238309642 572548799 /nfs/dbraw/zinc/54/87/99/572548799.db2.gz DOMSHRNOGRUWPR-GFCCVEGCSA-N 0 0 196.290 2.895 10 30 AFEERN C=C1C[C@H](O)C[C@@H](C)[C@H]2CCC[C@@H]12 307505598 572548972 /nfs/dbraw/zinc/54/89/72/572548972.db2.gz LBXAXEZRSDZKKE-NOOOWODRSA-N 0 0 180.291 2.750 10 30 AFEERN N#Cc1cnc(C2CC2)cc1C1CC1 74283329 572549013 /nfs/dbraw/zinc/54/90/13/572549013.db2.gz MLIJBEHYPGLTTB-UHFFFAOYSA-N 0 0 184.242 2.708 10 30 AFEERN CC[C@H](C)CCCC#C[C@H](C)O 238309378 572549129 /nfs/dbraw/zinc/54/91/29/572549129.db2.gz QZVLUTNCTQHDET-QWRGUYRKSA-N 0 0 168.280 2.587 10 30 AFEERN C=C(C)CC[C@@H](O)CC(C)C 87522921 572549234 /nfs/dbraw/zinc/54/92/34/572549234.db2.gz FHYPNECFXQZCNR-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=C[C@H](c1ccccc1)[C@H](CC)CO 238310741 572551084 /nfs/dbraw/zinc/55/10/84/572551084.db2.gz JRJRIDCLEYXQGG-YPMHNXCESA-N 0 0 190.286 2.975 10 30 AFEERN CCc1ccccc1C[C@@H](C)C=O 238310663 572550178 /nfs/dbraw/zinc/55/01/78/572550178.db2.gz XVXZNEVSDBGNHK-SNVBAGLBSA-N 0 0 176.259 2.627 10 30 AFEERN C=CC[P@](=O)(CC=O)OCC 238311516 572550485 /nfs/dbraw/zinc/55/04/85/572550485.db2.gz MJFGZHWQJVAKHO-OKPNEXGHSA-N 0 0 176.152 2.516 10 30 AFEERN CCc1cc(C#N)cc2c1CCCC2=O 238312460 572550720 /nfs/dbraw/zinc/55/07/20/572550720.db2.gz BJNKIQWIAGANFP-UHFFFAOYSA-N 0 0 199.253 2.640 10 30 AFEERN C=C[C@H](C)Oc1cc(F)ccc1F 307561264 572551083 /nfs/dbraw/zinc/55/10/83/572551083.db2.gz YMMICRVMJSTGMS-ZETCQYMHSA-N 0 0 184.185 2.918 10 30 AFEERN CCc1ccccc1C[C@H](C)C=O 238310782 572551538 /nfs/dbraw/zinc/55/15/38/572551538.db2.gz XVXZNEVSDBGNHK-JTQLQIEISA-N 0 0 176.259 2.627 10 30 AFEERN CCC[C@@H](CC(C)C)C(=O)CC#N 308061017 572552052 /nfs/dbraw/zinc/55/20/52/572552052.db2.gz YYUJXKNDJCIMRW-JTQLQIEISA-N 0 0 181.279 2.932 10 30 AFEERN CCc1cc(C#N)c(N)c2ccccc12 238312138 572552310 /nfs/dbraw/zinc/55/23/10/572552310.db2.gz ZDKNSBFSKUXFHN-UHFFFAOYSA-N 0 0 196.253 2.856 10 30 AFEERN CCC[C@H](CC(C)C)C(=O)CC#N 308061019 572552356 /nfs/dbraw/zinc/55/23/56/572552356.db2.gz YYUJXKNDJCIMRW-SNVBAGLBSA-N 0 0 181.279 2.932 10 30 AFEERN CCC(C)(C)ON=CBr 307801304 572552386 /nfs/dbraw/zinc/55/23/86/572552386.db2.gz DKKHTUFUABDFAB-UHFFFAOYSA-N 0 0 194.072 2.530 10 30 AFEERN C=C(C)/C=C(\OCC)[C@@H](O)C(C)(C)C 238314612 572552495 /nfs/dbraw/zinc/55/24/95/572552495.db2.gz BNBUWCVCCURRGZ-HIJJYWJESA-N 0 0 198.306 2.890 10 30 AFEERN C=C(C)/C=C(\OCC)[C@H](O)C(C)(C)C 238314628 572552705 /nfs/dbraw/zinc/55/27/05/572552705.db2.gz BNBUWCVCCURRGZ-IEHMKBBKSA-N 0 0 198.306 2.890 10 30 AFEERN C=C[C@@H](O)c1cnc2ccsc2c1 307586126 572552756 /nfs/dbraw/zinc/55/27/56/572552756.db2.gz OTGSAJNJZSZKNZ-SECBINFHSA-N 0 0 191.255 2.516 10 30 AFEERN CC#C[C@H](O)C1CCC(C)(C)CC1 307589128 572553310 /nfs/dbraw/zinc/55/33/10/572553310.db2.gz ZNJJGFWFJNFTJY-NSHDSACASA-N 0 0 180.291 2.587 10 30 AFEERN C=C(C)[C@H](O)c1ccsc1C 307533445 572553321 /nfs/dbraw/zinc/55/33/21/572553321.db2.gz OITSLAAPGBJTMA-VIFPVBQESA-N 0 0 168.261 2.666 10 30 AFEERN CC[C@@H](C#N)C(=O)CCC=C(C)C 238314003 572554193 /nfs/dbraw/zinc/55/41/93/572554193.db2.gz JHKMFUXCUYCEHZ-JTQLQIEISA-N 0 0 179.263 2.852 10 30 AFEERN CC[C@H](CC(C)C)C(=O)C1=CCCO1 308061015 572553734 /nfs/dbraw/zinc/55/37/34/572553734.db2.gz YXUIGZUMQXBDFX-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN CC[C@@H](CC(C)C)C(=O)C1=CCCO1 308061013 572553743 /nfs/dbraw/zinc/55/37/43/572553743.db2.gz YXUIGZUMQXBDFX-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN CSc1ccc(CCC#N)s1 74284380 572554001 /nfs/dbraw/zinc/55/40/01/572554001.db2.gz CIVNUQMRDNTPDT-UHFFFAOYSA-N 0 0 183.301 2.926 10 30 AFEERN C=C1[C@@H]2CCC[C@]23CCC(=O)[C@]13C 307598041 572554049 /nfs/dbraw/zinc/55/40/49/572554049.db2.gz OIILJGWEZDFKJJ-DLOVCJGASA-N 0 0 176.259 2.712 10 30 AFEERN C=C[C@H](C)Nc1cc(C)cc(C#N)c1 307597428 572554113 /nfs/dbraw/zinc/55/41/13/572554113.db2.gz NULMDQWCGURNLO-JTQLQIEISA-N 0 0 186.258 2.853 10 30 AFEERN C=C[C@@H]1[C@H](CO)C[C@@H]2CC(C)(C)C[C@@H]12 307527480 572554162 /nfs/dbraw/zinc/55/41/62/572554162.db2.gz SELGYUFHWLYJNJ-WRWGMCAJSA-N 0 0 194.318 2.853 10 30 AFEERN C=CCC[C@]12CCC[C@@H]1C[C@@H](O)C2 307548975 572554974 /nfs/dbraw/zinc/55/49/74/572554974.db2.gz NAASOQYLOUYPKV-IJLUTSLNSA-N 0 0 180.291 2.894 10 30 AFEERN CCOc1ccccc1C(CC)=NO 251206126 572555000 /nfs/dbraw/zinc/55/50/00/572555000.db2.gz IEAOPEQOWJRAOK-UHFFFAOYSA-N 0 0 193.246 2.674 10 30 AFEERN CC(=NO)[C@@H]1CCC[C@@H](C)C1 307806361 572555277 /nfs/dbraw/zinc/55/52/77/572555277.db2.gz UWCQVJGLMLKICT-VXNVDRBHSA-N 0 0 155.241 2.663 10 30 AFEERN CC(=NO)[C@@H]1CCC[C@H](C)C1 307806359 572555444 /nfs/dbraw/zinc/55/54/44/572555444.db2.gz UWCQVJGLMLKICT-IONNQARKSA-N 0 0 155.241 2.663 10 30 AFEERN CC(=NO)[C@H]1CCC[C@H](C)C1 307806356 572556229 /nfs/dbraw/zinc/55/62/29/572556229.db2.gz UWCQVJGLMLKICT-CBAPKCEASA-N 0 0 155.241 2.663 10 30 AFEERN C=CCC[C@]12CCC[C@H]1C[C@@H](O)C2 307548976 572557060 /nfs/dbraw/zinc/55/70/60/572557060.db2.gz NAASOQYLOUYPKV-QJPTWQEYSA-N 0 0 180.291 2.894 10 30 AFEERN CCc1cc(C)cc(O[C@@H](C)C=O)c1 238320311 572557316 /nfs/dbraw/zinc/55/73/16/572557316.db2.gz IRAOMTWGDBZYMR-JTQLQIEISA-N 0 0 192.258 2.524 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)[C@@H](CO)C1 307579525 572557351 /nfs/dbraw/zinc/55/73/51/572557351.db2.gz PQRLFAVXZWHPIU-HBNTYKKESA-N 0 0 168.280 2.607 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CC[C@H](C)C[C@@H]1C 69675657 572557769 /nfs/dbraw/zinc/55/77/69/572557769.db2.gz SRXNAFMJHYHFNR-NNYUYHANSA-N 0 0 194.322 2.703 10 30 AFEERN C#CCCSc1ncccc1C 307591984 572558775 /nfs/dbraw/zinc/55/87/75/572558775.db2.gz CVIBARXFJFJARF-UHFFFAOYSA-N 0 0 177.272 2.505 10 30 AFEERN C=C(Br)CO[C@H](C)CC 307528627 572558424 /nfs/dbraw/zinc/55/84/24/572558424.db2.gz KNQYJRPVJICICF-SSDOTTSWSA-N 0 0 193.084 2.710 10 30 AFEERN C=C[C@H]1C(=O)[C@H]2CCC[C@H]2C1(C)C 307561212 572558731 /nfs/dbraw/zinc/55/87/31/572558731.db2.gz IZDMBVURGVLVMU-LPEHRKFASA-N 0 0 178.275 2.814 10 30 AFEERN C=C(C)[C@H](O)[C@@]1(OC)CCC[C@@H](C)C1 307510378 572558784 /nfs/dbraw/zinc/55/87/84/572558784.db2.gz BPOWLPFNQZQRFH-GRYCIOLGSA-N 0 0 198.306 2.519 10 30 AFEERN CCc1cc(C)cc(O[C@H](C)C=O)c1 238320334 572558951 /nfs/dbraw/zinc/55/89/51/572558951.db2.gz IRAOMTWGDBZYMR-SNVBAGLBSA-N 0 0 192.258 2.524 10 30 AFEERN C=CCCNc1cc(F)c(F)cc1N 307539449 572558957 /nfs/dbraw/zinc/55/89/57/572558957.db2.gz YCTOXMNDDGZBGN-UHFFFAOYSA-N 0 0 198.216 2.535 10 30 AFEERN C=C(C)[C@@H](O)c1ccsc1C 307533444 572559333 /nfs/dbraw/zinc/55/93/33/572559333.db2.gz OITSLAAPGBJTMA-SECBINFHSA-N 0 0 168.261 2.666 10 30 AFEERN C=CC[C@@H](C)Nc1cnc(Cl)cn1 307579481 572559698 /nfs/dbraw/zinc/55/96/98/572559698.db2.gz VDJHVLAYWMXIFP-SSDOTTSWSA-N 0 0 197.669 2.507 10 30 AFEERN C=CC(=C)[C@H](O)CC[C@@H](C)CCOC 238325227 572559945 /nfs/dbraw/zinc/55/99/45/572559945.db2.gz KJWMWABSVWPJSC-ZYHUDNBSSA-N 0 0 198.306 2.542 10 30 AFEERN COC(C)(C)CCCCCC=O 238327375 572560058 /nfs/dbraw/zinc/56/00/58/572560058.db2.gz GDYOXAUUOJMJHX-UHFFFAOYSA-N 0 0 172.268 2.561 10 30 AFEERN C=C1[C@H](O)C[C@]2(C)[C@@H]3C=C(C)C[C@@H]1[C@@H]32 307541020 572560092 /nfs/dbraw/zinc/56/00/92/572560092.db2.gz RNHQYHUHYMXFNV-CKIKVBCHSA-N 0 0 190.286 2.526 10 30 AFEERN C=CCCC(=O)c1ccc(Cl)nc1 87545887 572560168 /nfs/dbraw/zinc/56/01/68/572560168.db2.gz JPWMDLXEERIWPW-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN C=C(C)C[C@@H](C)CC/C=C\CO 308062480 572560750 /nfs/dbraw/zinc/56/07/50/572560750.db2.gz WZRCRPRMFMKTPD-QZPNVGJNSA-N 0 0 168.280 2.917 10 30 AFEERN CC(C)CC[C@](C)(Cl)C#N 45626735 572560793 /nfs/dbraw/zinc/56/07/93/572560793.db2.gz LIXUCECNCNPWGQ-QMMMGPOBSA-N 0 0 159.660 2.944 10 30 AFEERN COC(C)(C)C[C@@H]1CC[C@H](CC=O)C1 238328487 572560796 /nfs/dbraw/zinc/56/07/96/572560796.db2.gz HPTVTXFXPPVGHS-GHMZBOCLSA-N 0 0 198.306 2.807 10 30 AFEERN C=CC[C@@H](O)[C@H]1CC2CCC1CC2 307568501 572560843 /nfs/dbraw/zinc/56/08/43/572560843.db2.gz VWDOWIOSSJCCRM-MMVSWEMESA-N 0 0 180.291 2.750 10 30 AFEERN N#C[C@@]1(Cl)CCCc2ccccc21 45626915 572561074 /nfs/dbraw/zinc/56/10/74/572561074.db2.gz ZOZSTNOFAZHYAZ-NSHDSACASA-N 0 0 191.661 2.981 10 30 AFEERN COC(C)(C)CCC[C@@]1(C)C[C@@H]1C=O 238327497 572561299 /nfs/dbraw/zinc/56/12/99/572561299.db2.gz ISGLWLDAXOGAES-PWSUYJOCSA-N 0 0 198.306 2.807 10 30 AFEERN N#C[C@@]1(Cl)CCc2ccccc21 45626845 572561441 /nfs/dbraw/zinc/56/14/41/572561441.db2.gz XLEULERBFMXVIQ-JTQLQIEISA-N 0 0 177.634 2.590 10 30 AFEERN COC(C)(C)C[C@@H]1CC[C@@H](CC=O)C1 238328475 572561458 /nfs/dbraw/zinc/56/14/58/572561458.db2.gz HPTVTXFXPPVGHS-WDEREUQCSA-N 0 0 198.306 2.807 10 30 AFEERN C=CCN(C)c1cccc(Cl)c1N 307587099 572561626 /nfs/dbraw/zinc/56/16/26/572561626.db2.gz RTWXFZPVBBPJPD-UHFFFAOYSA-N 0 0 196.681 2.544 10 30 AFEERN COCC1=CCCC(C)(C)[C@@H]1CC=O 238326970 572561653 /nfs/dbraw/zinc/56/16/53/572561653.db2.gz JOACOAJZHQOYER-LLVKDONJSA-N 0 0 196.290 2.584 10 30 AFEERN C=C(C)CC(=O)c1cnc(C)cc1C 307542254 572561687 /nfs/dbraw/zinc/56/16/87/572561687.db2.gz PUFIJGDGAVUEHO-UHFFFAOYSA-N 0 0 189.258 2.847 10 30 AFEERN CC[C@@H](C)[C@@](C)(Cl)C#N 45626715 572561827 /nfs/dbraw/zinc/56/18/27/572561827.db2.gz GFRIEBJSCGONRA-RQJHMYQMSA-N 0 0 145.633 2.554 10 30 AFEERN N#C[C@]1(Cl)CCCc2ccccc21 45626916 572561833 /nfs/dbraw/zinc/56/18/33/572561833.db2.gz ZOZSTNOFAZHYAZ-LLVKDONJSA-N 0 0 191.661 2.981 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@H](CO)C1 307579526 572561964 /nfs/dbraw/zinc/56/19/64/572561964.db2.gz PQRLFAVXZWHPIU-MXWKQRLJSA-N 0 0 168.280 2.607 10 30 AFEERN CC1(C=NOC2CCC2)CCC1 308063773 572562091 /nfs/dbraw/zinc/56/20/91/572562091.db2.gz XPZHRCRKWSCCIE-UHFFFAOYSA-N 0 0 167.252 2.732 10 30 AFEERN COC(C)(C)CCC[C@]1(C)C[C@@H]1C=O 238327602 572562103 /nfs/dbraw/zinc/56/21/03/572562103.db2.gz ISGLWLDAXOGAES-ZYHUDNBSSA-N 0 0 198.306 2.807 10 30 AFEERN CC[C@H](C)[C@](C)(Cl)C#N 45626714 572562137 /nfs/dbraw/zinc/56/21/37/572562137.db2.gz GFRIEBJSCGONRA-NKWVEPMBSA-N 0 0 145.633 2.554 10 30 AFEERN COCC1=CCCC(C)(C)[C@H]1CC=O 238326996 572562172 /nfs/dbraw/zinc/56/21/72/572562172.db2.gz JOACOAJZHQOYER-NSHDSACASA-N 0 0 196.290 2.584 10 30 AFEERN COC(C)(C)CCC[C@@]1(C)C[C@H]1C=O 238327510 572562197 /nfs/dbraw/zinc/56/21/97/572562197.db2.gz ISGLWLDAXOGAES-JQWIXIFHSA-N 0 0 198.306 2.807 10 30 AFEERN C=CC(=C)[C@@H](O)CC[C@@H](C)CCOC 238325240 572562228 /nfs/dbraw/zinc/56/22/28/572562228.db2.gz KJWMWABSVWPJSC-PWSUYJOCSA-N 0 0 198.306 2.542 10 30 AFEERN COC(C)(C)CCC[C@]1(C)C[C@H]1C=O 238327619 572562274 /nfs/dbraw/zinc/56/22/74/572562274.db2.gz ISGLWLDAXOGAES-CMPLNLGQSA-N 0 0 198.306 2.807 10 30 AFEERN CC1CCC(Cl)(C#N)CC1 45626825 572562308 /nfs/dbraw/zinc/56/23/08/572562308.db2.gz LKEMUNXPKIUTMD-UHFFFAOYSA-N 0 0 157.644 2.698 10 30 AFEERN C[C@H]1CCC[C@](Cl)(C#N)C1 45626784 572562370 /nfs/dbraw/zinc/56/23/70/572562370.db2.gz WHEHKBZAGWEEOR-JGVFFNPUSA-N 0 0 157.644 2.698 10 30 AFEERN C[C@H]1CCCC[C@@]1(Cl)C#N 45626775 572562380 /nfs/dbraw/zinc/56/23/80/572562380.db2.gz QZDRTLXXKUIGGH-JGVFFNPUSA-N 0 0 157.644 2.698 10 30 AFEERN C=C(C)C[C@H](C)CC/C=C/CO 308062471 572562647 /nfs/dbraw/zinc/56/26/47/572562647.db2.gz WZRCRPRMFMKTPD-DUMNWFOQSA-N 0 0 168.280 2.917 10 30 AFEERN Cc1ccc(-c2cncc(C#N)c2)o1 74283967 572562761 /nfs/dbraw/zinc/56/27/61/572562761.db2.gz IQVWZRLBHNNYND-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN CCc1cc(F)ccc1C[C@@H](C)C=O 238330998 572562772 /nfs/dbraw/zinc/56/27/72/572562772.db2.gz OFVLBXIIHDDYOM-SECBINFHSA-N 0 0 194.249 2.766 10 30 AFEERN C=C(C)C[C@H](C)CC/C=C\CO 308062487 572562814 /nfs/dbraw/zinc/56/28/14/572562814.db2.gz WZRCRPRMFMKTPD-VLWUPBBWSA-N 0 0 168.280 2.917 10 30 AFEERN C=C(C)C[C@@H](C)CC/C=C/CO 308062475 572563196 /nfs/dbraw/zinc/56/31/96/572563196.db2.gz WZRCRPRMFMKTPD-MALLOTDXSA-N 0 0 168.280 2.917 10 30 AFEERN CCc1cc(F)ccc1C[C@H](C)C=O 238331024 572563258 /nfs/dbraw/zinc/56/32/58/572563258.db2.gz OFVLBXIIHDDYOM-VIFPVBQESA-N 0 0 194.249 2.766 10 30 AFEERN CC(C)C[C@@](C)(Cl)C#N 45626828 572563261 /nfs/dbraw/zinc/56/32/61/572563261.db2.gz BLADQRMEMILCEA-SSDOTTSWSA-N 0 0 145.633 2.554 10 30 AFEERN C=C[C@@H]1[C@H](CO)C[C@H]2CC(C)(C)C[C@H]21 307527475 572563296 /nfs/dbraw/zinc/56/32/96/572563296.db2.gz SELGYUFHWLYJNJ-NNYUYHANSA-N 0 0 194.318 2.853 10 30 AFEERN C[C@H]1CCCC[C@]1(Cl)C#N 45626773 572563563 /nfs/dbraw/zinc/56/35/63/572563563.db2.gz QZDRTLXXKUIGGH-YUMQZZPRSA-N 0 0 157.644 2.698 10 30 AFEERN C=C1CCCC(C)(C)C[C@H]1O 222296415 572563625 /nfs/dbraw/zinc/56/36/25/572563625.db2.gz XXYRUWLCZABWQH-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN N#C[C@]1(Cl)CCc2ccccc2C1 45626947 572563824 /nfs/dbraw/zinc/56/38/24/572563824.db2.gz ATVWPYRZXFZOPS-NSHDSACASA-N 0 0 191.661 2.676 10 30 AFEERN CC[C@@](Cl)(C#N)C(C)C 45626711 572563983 /nfs/dbraw/zinc/56/39/83/572563983.db2.gz JRGPBPWRYJIVSS-SSDOTTSWSA-N 0 0 145.633 2.554 10 30 AFEERN C=C[C@H](CCOC)Nc1ccccc1 238329786 572563985 /nfs/dbraw/zinc/56/39/85/572563985.db2.gz RYFMUUYZUQXZHN-LLVKDONJSA-N 0 0 191.274 2.690 10 30 AFEERN N#C[C@@]1(Cl)CCc2ccccc2C1 45626946 572564042 /nfs/dbraw/zinc/56/40/42/572564042.db2.gz ATVWPYRZXFZOPS-LLVKDONJSA-N 0 0 191.661 2.676 10 30 AFEERN CC[C@H](C)[C@@](C)(Cl)C#N 45626716 572564139 /nfs/dbraw/zinc/56/41/39/572564139.db2.gz GFRIEBJSCGONRA-BQBZGAKWSA-N 0 0 145.633 2.554 10 30 AFEERN C[C@@H]1CCC[C@@](Cl)(C#N)C1 45626785 572564517 /nfs/dbraw/zinc/56/45/17/572564517.db2.gz WHEHKBZAGWEEOR-SFYZADRCSA-N 0 0 157.644 2.698 10 30 AFEERN N#C[C@]1(Cl)CCc2ccccc21 45626846 572564708 /nfs/dbraw/zinc/56/47/08/572564708.db2.gz XLEULERBFMXVIQ-SNVBAGLBSA-N 0 0 177.634 2.590 10 30 AFEERN C[C@@H]1CCCC[C@@]1(Cl)C#N 45626774 572565045 /nfs/dbraw/zinc/56/50/45/572565045.db2.gz QZDRTLXXKUIGGH-HTQZYQBOSA-N 0 0 157.644 2.698 10 30 AFEERN C[C@@H]1CCC[C@](Cl)(C#N)C1 45626783 572565048 /nfs/dbraw/zinc/56/50/48/572565048.db2.gz WHEHKBZAGWEEOR-HTQZYQBOSA-N 0 0 157.644 2.698 10 30 AFEERN N#CC1(Cl)CCCCCC1 45626826 572565105 /nfs/dbraw/zinc/56/51/05/572565105.db2.gz UINRIJDFSVYMGJ-UHFFFAOYSA-N 0 0 157.644 2.842 10 30 AFEERN C[C@@H]1CCCC[C@]1(Cl)C#N 45626772 572565143 /nfs/dbraw/zinc/56/51/43/572565143.db2.gz QZDRTLXXKUIGGH-SFYZADRCSA-N 0 0 157.644 2.698 10 30 AFEERN CC(C)C[C@](C)(Cl)C#N 45626827 572565435 /nfs/dbraw/zinc/56/54/35/572565435.db2.gz BLADQRMEMILCEA-ZETCQYMHSA-N 0 0 145.633 2.554 10 30 AFEERN C=C[C@]1(C)CC[C@H](C(=C)C)[C@H](O)C1 306161065 572565573 /nfs/dbraw/zinc/56/55/73/572565573.db2.gz QYBMLJGFALGZQY-IJLUTSLNSA-N 0 0 180.291 2.916 10 30 AFEERN CC[C@](Cl)(C#N)C(C)C 45626712 572565832 /nfs/dbraw/zinc/56/58/32/572565832.db2.gz JRGPBPWRYJIVSS-ZETCQYMHSA-N 0 0 145.633 2.554 10 30 AFEERN CC[C@@H](C)[C@](C)(Cl)C#N 45626713 572565935 /nfs/dbraw/zinc/56/59/35/572565935.db2.gz GFRIEBJSCGONRA-RNFRBKRXSA-N 0 0 145.633 2.554 10 30 AFEERN C[C@H]1CCC[C@@](Cl)(C#N)C1 45626786 572565959 /nfs/dbraw/zinc/56/59/59/572565959.db2.gz WHEHKBZAGWEEOR-YUMQZZPRSA-N 0 0 157.644 2.698 10 30 AFEERN CC(C)CC[C@@](C)(Cl)C#N 45626736 572566172 /nfs/dbraw/zinc/56/61/72/572566172.db2.gz LIXUCECNCNPWGQ-MRVPVSSYSA-N 0 0 159.660 2.944 10 30 AFEERN C=CCc1ccc(/C=C\C)[nH]1 306162594 572566304 /nfs/dbraw/zinc/56/63/04/572566304.db2.gz GUMWOLOTKVGNNR-XQRVVYSFSA-N 0 0 147.221 2.776 10 30 AFEERN CC(C)C[C@@H](C)C(Cl)=NO 307821947 572566768 /nfs/dbraw/zinc/56/67/68/572566768.db2.gz ZJTFLHXBHCUILB-ZCFIWIBFSA-N 0 0 163.648 2.695 10 30 AFEERN C=C1C[C@]23CCC[C@]2(C)C[C@@H](O)[C@]13C 306154329 572566769 /nfs/dbraw/zinc/56/67/69/572566769.db2.gz BGSDWTPRFGRDKZ-FVCCEPFGSA-N 0 0 192.302 2.894 10 30 AFEERN C=C[C@@H](C)Sc1ccc(C#N)cn1 306197657 572566937 /nfs/dbraw/zinc/56/69/37/572566937.db2.gz XQUBQDQTBGRHSE-MRVPVSSYSA-N 0 0 190.271 2.620 10 30 AFEERN CC(C)C[C@H](C)C(Cl)=NO 307821945 572567089 /nfs/dbraw/zinc/56/70/89/572567089.db2.gz ZJTFLHXBHCUILB-LURJTMIESA-N 0 0 163.648 2.695 10 30 AFEERN C=C(CC)C[C@H](O)c1cncs1 87573594 572567067 /nfs/dbraw/zinc/56/70/67/572567067.db2.gz BEUHDTJJNDDXSQ-QMMMGPOBSA-N 0 0 183.276 2.533 10 30 AFEERN C=C[C@@]1(O)C[C@H](C)c2ccccc21 306161120 572567420 /nfs/dbraw/zinc/56/74/20/572567420.db2.gz GIQDEDFKWCHMGB-JOYOIKCWSA-N 0 0 174.243 2.567 10 30 AFEERN C/C=C/C#CC(=O)c1cccs1 306159477 572568199 /nfs/dbraw/zinc/56/81/99/572568199.db2.gz NQUAZWMKTGXXHW-NSCUHMNNSA-N 0 0 176.240 2.510 10 30 AFEERN C=CCCC[C@@H](O)c1cncs1 87573740 572567401 /nfs/dbraw/zinc/56/74/01/572567401.db2.gz BDKDLADPXGMHRA-MRVPVSSYSA-N 0 0 183.276 2.533 10 30 AFEERN C#CC[C@]12CCCC[C@@H]1CC[C@H](O)C2 306151375 572567637 /nfs/dbraw/zinc/56/76/37/572567637.db2.gz AUZPSSBJNBOVMK-FRRDWIJNSA-N 0 0 192.302 2.731 10 30 AFEERN CCC[C@@H](C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564421 572568567 /nfs/dbraw/zinc/56/85/67/572568567.db2.gz JFWJNGMGLZDLLY-GKDVJIACSA-N 0 0 191.274 2.541 10 30 AFEERN C[C@H]1CCCCC=C(F)C1=O 45820012 572568624 /nfs/dbraw/zinc/56/86/24/572568624.db2.gz RBDNWLLYBPUNDQ-ZETCQYMHSA-N 0 0 156.200 2.619 10 30 AFEERN C=C[C@]1(O)C[C@H](C)c2ccccc21 306161116 572568688 /nfs/dbraw/zinc/56/86/88/572568688.db2.gz GIQDEDFKWCHMGB-CABZTGNLSA-N 0 0 174.243 2.567 10 30 AFEERN C=C[C@]1(CO)[C@H](C)[C@@H]1c1ccccc1 306194733 572568900 /nfs/dbraw/zinc/56/89/00/572568900.db2.gz UOHJHEDLIVOHLP-RTXFEEFZSA-N 0 0 188.270 2.585 10 30 AFEERN C=C(CC)C[C@@H](O)c1cncs1 87573596 572569034 /nfs/dbraw/zinc/56/90/34/572569034.db2.gz BEUHDTJJNDDXSQ-MRVPVSSYSA-N 0 0 183.276 2.533 10 30 AFEERN C=CCCC[C@H](O)CC1CC1 87581617 572574358 /nfs/dbraw/zinc/57/43/58/572574358.db2.gz AIPHWAFEKZXIOI-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN C#C[C@H](O)c1ccc2sccc2c1 307599075 572569754 /nfs/dbraw/zinc/56/97/54/572569754.db2.gz PRLSTXDTFSUXDA-JTQLQIEISA-N 0 0 188.251 2.568 10 30 AFEERN C[C@@H]1Cc2ccc(C#N)c(Cl)c2N1 713726654 572571992 /nfs/dbraw/zinc/57/19/92/572571992.db2.gz ASEJSHBXLOFTBD-ZCFIWIBFSA-N 0 0 192.649 2.568 10 30 AFEERN C[C@@H]1CCCCC=C(F)C1=O 45820009 572570110 /nfs/dbraw/zinc/57/01/10/572570110.db2.gz RBDNWLLYBPUNDQ-SSDOTTSWSA-N 0 0 156.200 2.619 10 30 AFEERN CCC[C@H](C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564423 572570123 /nfs/dbraw/zinc/57/01/23/572570123.db2.gz JFWJNGMGLZDLLY-NFLHVTIKSA-N 0 0 191.274 2.541 10 30 AFEERN C=CCCC[C@H](O)C1(C)CC1 87550482 572572456 /nfs/dbraw/zinc/57/24/56/572572456.db2.gz MUISIUYIPWLIBH-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN CC(Cl)(Cl)C(=O)/C=C\Cl 307830640 572570606 /nfs/dbraw/zinc/57/06/06/572570606.db2.gz PXMKGCVETVUCPN-IHWYPQMZSA-N 0 0 187.453 2.502 10 30 AFEERN N#CC[C@H]1CCc2ccc3c(c21)CCO3 114593383 572571089 /nfs/dbraw/zinc/57/10/89/572571089.db2.gz WPIVLYZNFICYFP-SNVBAGLBSA-N 0 0 199.253 2.565 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@H](CO)C1 307579524 572573089 /nfs/dbraw/zinc/57/30/89/572573089.db2.gz PQRLFAVXZWHPIU-GMTAPVOTSA-N 0 0 168.280 2.607 10 30 AFEERN C=C1C[C@@H]2[C@H](C)C(=O)CC[C@@H]2C1 307570042 572571228 /nfs/dbraw/zinc/57/12/28/572571228.db2.gz YNCUBLHFDOJXNW-IVZWLZJFSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)[C@H](O)[C@]1(OC)CCC[C@H](C)C1 307510382 572571271 /nfs/dbraw/zinc/57/12/71/572571271.db2.gz BPOWLPFNQZQRFH-SRVKXCTJSA-N 0 0 198.306 2.519 10 30 AFEERN COc1cccc2c1[C@@H](C#N)CCC2 114550665 572571512 /nfs/dbraw/zinc/57/15/12/572571512.db2.gz LKTIQSORNYEWJF-SNVBAGLBSA-N 0 0 187.242 2.639 10 30 AFEERN C=CCCCC(=O)C1(C)CC1 87549390 572571692 /nfs/dbraw/zinc/57/16/92/572571692.db2.gz PZUWROPBQDOMJC-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H]1Cc2ccc(C#N)c(Cl)c2N1 713726638 572571697 /nfs/dbraw/zinc/57/16/97/572571697.db2.gz ASEJSHBXLOFTBD-LURJTMIESA-N 0 0 192.649 2.568 10 30 AFEERN C=CCS[C@]1(C)CCC[C@]1(C)O 306281881 572571804 /nfs/dbraw/zinc/57/18/04/572571804.db2.gz YIJCWHNSZBCZJO-VHSXEESVSA-N 0 0 186.320 2.599 10 30 AFEERN C=C(F)C[C@H](O)c1ccc(OC)cc1 238339065 572572135 /nfs/dbraw/zinc/57/21/35/572572135.db2.gz AMBUJSKKWYLZCV-NSHDSACASA-N 0 0 196.221 2.602 10 30 AFEERN C#CCCC(=O)C1(c2ccccc2)CC1 84698413 572572324 /nfs/dbraw/zinc/57/23/24/572572324.db2.gz WZQNAUZPYCCYBM-UHFFFAOYSA-N 0 0 198.265 2.701 10 30 AFEERN C=C1[C@H](O)C[C@]23CCC[C@]12[C@H](C)CC3 306288307 572575555 /nfs/dbraw/zinc/57/55/55/572575555.db2.gz MJWQZDHIOVCDMJ-JHEVNIALSA-N 0 0 192.302 2.894 10 30 AFEERN C=C[C@H](C)Nc1ccc2c(c1)CCO2 307564353 572572957 /nfs/dbraw/zinc/57/29/57/572572957.db2.gz QDJZGXTYJMGVEB-VIFPVBQESA-N 0 0 189.258 2.608 10 30 AFEERN CO[C@H](C#N)c1ccc(C)c(Cl)c1 234767333 572573144 /nfs/dbraw/zinc/57/31/44/572573144.db2.gz VHRPQXITFNXDAX-SNVBAGLBSA-N 0 0 195.649 2.860 10 30 AFEERN C=CC[C@H](O)c1cc(C)cnc1Cl 306285299 572573261 /nfs/dbraw/zinc/57/32/61/572573261.db2.gz KADQOIZHGDXUBA-VIFPVBQESA-N 0 0 197.665 2.653 10 30 AFEERN C=C1[C@@H](C)CC[C@@H](CO)C1(C)C 307522774 572573339 /nfs/dbraw/zinc/57/33/39/572573339.db2.gz PSGJUFVFCYNNIA-WPRPVWTQSA-N 0 0 168.280 2.607 10 30 AFEERN COc1cccc2c1[C@H](C#N)CCC2 114550663 572573364 /nfs/dbraw/zinc/57/33/64/572573364.db2.gz LKTIQSORNYEWJF-JTQLQIEISA-N 0 0 187.242 2.639 10 30 AFEERN C=C(C)CCNc1cnc(Cl)cn1 307580515 572573417 /nfs/dbraw/zinc/57/34/17/572573417.db2.gz XQKHJMBFEODTAC-UHFFFAOYSA-N 0 0 197.669 2.508 10 30 AFEERN C=C[C@@H](CC)[C@@H]1CCCC[C@H]1O 307576985 572573716 /nfs/dbraw/zinc/57/37/16/572573716.db2.gz KYZDEDCNGMWDHJ-GARJFASQSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@H]1C[C@]2(C)CCC(=O)C[C@]12C 306291733 572573835 /nfs/dbraw/zinc/57/38/35/572573835.db2.gz UBDMDALCXDHEOH-ADEWGFFLSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)CNc1ccccc1[C@H](C)O 306289843 572573999 /nfs/dbraw/zinc/57/39/99/572573999.db2.gz OMKVDBYKUIJKCK-JTQLQIEISA-N 0 0 191.274 2.728 10 30 AFEERN CO[C@H](C#N)c1cc(C)c(C)cc1C 234766984 572574001 /nfs/dbraw/zinc/57/40/01/572574001.db2.gz WDJIWXQRRYINMR-GFCCVEGCSA-N 0 0 189.258 2.823 10 30 AFEERN C=CC[C@H]1CCCCC[C@@H](O)C1 306286199 572574560 /nfs/dbraw/zinc/57/45/60/572574560.db2.gz KITWZSBVDUWJQK-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN C=C1[C@@H](O)[C@H](c2ccccc2)C[C@H]1C 307523421 572575024 /nfs/dbraw/zinc/57/50/24/572575024.db2.gz CMMUUTJHRLPMGQ-JIMOISOXSA-N 0 0 188.270 2.727 10 30 AFEERN C=CC[C@@H](O)c1cccc([S-])c1 306270551 572575169 /nfs/dbraw/zinc/57/51/69/572575169.db2.gz ULSGOPHRAPRTQD-SNVBAGLBSA-N 0 0 180.272 2.585 10 30 AFEERN C=C(CC)C[C@@H](O)CC1CC1 87581487 572575212 /nfs/dbraw/zinc/57/52/12/572575212.db2.gz PAYSHKGRRJLZHS-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN Cc1cc(F)c2oc(C#N)cc2c1 114629149 572575422 /nfs/dbraw/zinc/57/54/22/572575422.db2.gz UXZMOELZWOBGND-UHFFFAOYSA-N 0 0 175.162 2.752 10 30 AFEERN C=CCN1CCC(Cl)=C(Cl)C1 306275510 572575592 /nfs/dbraw/zinc/57/55/92/572575592.db2.gz GJWPKLOUDZJZIT-UHFFFAOYSA-N 0 0 192.089 2.567 10 30 AFEERN C#CCC[C@H](O)[C@H]1CCCC[C@H]1C 307568267 572575614 /nfs/dbraw/zinc/57/56/14/572575614.db2.gz VOQDLHBNFDTDNL-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN C=C1C[C@H](O)C[C@H](C)[C@@H]2CCC[C@H]12 306261266 572575646 /nfs/dbraw/zinc/57/56/46/572575646.db2.gz LBXAXEZRSDZKKE-YFKTTZPYSA-N 0 0 180.291 2.750 10 30 AFEERN C=C(CC)C[C@H](O)CC1CC1 87581485 572575716 /nfs/dbraw/zinc/57/57/16/572575716.db2.gz PAYSHKGRRJLZHS-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN Cc1ccc(C[C@H](C)[C@H]2O[C@@H]2C)cc1 251465133 572575736 /nfs/dbraw/zinc/57/57/36/572575736.db2.gz IKCLYNPEZDIBPH-DMDPSCGWSA-N 0 0 190.286 2.961 10 30 AFEERN C#C[C@H]1CCCC[C@H]1CC 307541693 572575793 /nfs/dbraw/zinc/57/57/93/572575793.db2.gz ONDWGULTSNVWGR-VHSXEESVSA-N 0 0 136.238 2.836 10 30 AFEERN C=CC[C@@H](O)[C@@H]1CC2CCC1CC2 307568500 572576158 /nfs/dbraw/zinc/57/61/58/572576158.db2.gz VWDOWIOSSJCCRM-KIDURHIOSA-N 0 0 180.291 2.750 10 30 AFEERN C=CCCCC(=O)CC1CC1 87580971 572576205 /nfs/dbraw/zinc/57/62/05/572576205.db2.gz ACYKMMUTGJFPSJ-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@@H]1O[C@@H]1C[C@H](C)c1ccncc1 251477664 572576221 /nfs/dbraw/zinc/57/62/21/572576221.db2.gz BZHFYNXQXIZRRC-ZMLRMANQSA-N 0 0 191.274 2.753 10 30 AFEERN COc1cc(C)cc2cc(C#N)oc12 114629161 572576309 /nfs/dbraw/zinc/57/63/09/572576309.db2.gz WFJSBSPUKPKYLU-UHFFFAOYSA-N 0 0 187.198 2.622 10 30 AFEERN O=C(C1=CCCC1)C1C[C@@H]2C[C@@H]2C1 87563841 572576350 /nfs/dbraw/zinc/57/63/50/572576350.db2.gz QCVRHARYAKHALM-ZACCUICWSA-N 0 0 176.259 2.712 10 30 AFEERN C=CCCC[C@@H](O)CC1CC1 87581619 572576366 /nfs/dbraw/zinc/57/63/66/572576366.db2.gz AIPHWAFEKZXIOI-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C=C([C@@H](O)C(C)(C)C)C(F)(F)F 306244689 572576384 /nfs/dbraw/zinc/57/63/84/572576384.db2.gz VKLJEHOKVCUOLA-ZCFIWIBFSA-N 0 0 182.185 2.512 10 30 AFEERN C[C@]12CCC#CCC[C@]1(C)C2CCO 307536129 572576433 /nfs/dbraw/zinc/57/64/33/572576433.db2.gz PLQJZKMBDDAAOE-CHWSQXEVSA-N 0 0 192.302 2.589 10 30 AFEERN CC[C@@H]1O[C@H]1C[C@H](C)c1ccncc1 251477661 572576509 /nfs/dbraw/zinc/57/65/09/572576509.db2.gz BZHFYNXQXIZRRC-DLOVCJGASA-N 0 0 191.274 2.753 10 30 AFEERN COc1cc(C)cc2oc(C#N)cc12 114629165 572576619 /nfs/dbraw/zinc/57/66/19/572576619.db2.gz LKLGRYBVUQMPNX-UHFFFAOYSA-N 0 0 187.198 2.622 10 30 AFEERN C=CC[C@](C)(O)CCc1ccccc1 8689892 572576629 /nfs/dbraw/zinc/57/66/29/572576629.db2.gz OUGWQKBUJXFPBJ-ZDUSSCGKSA-N 0 0 190.286 2.946 10 30 AFEERN Cc1ccc(C[C@H](C)[C@@H]2O[C@@H]2C)cc1 251465135 572576682 /nfs/dbraw/zinc/57/66/82/572576682.db2.gz IKCLYNPEZDIBPH-LOWVWBTDSA-N 0 0 190.286 2.961 10 30 AFEERN C=C(CCC=O)c1ccccc1OC 238342617 572580410 /nfs/dbraw/zinc/58/04/10/572580410.db2.gz MLOJEMOCSNENAY-UHFFFAOYSA-N 0 0 190.242 2.688 10 30 AFEERN C=CC1=C(C)[C@@H](O)C[C@H](C(=C)C)C1 307527252 572576771 /nfs/dbraw/zinc/57/67/71/572576771.db2.gz SCOBLLVXAFRHMX-NEPJUHHUSA-N 0 0 178.275 2.836 10 30 AFEERN C=CC[C@@](C)(O)CCc1ccccc1 8689893 572576942 /nfs/dbraw/zinc/57/69/42/572576942.db2.gz OUGWQKBUJXFPBJ-CYBMUJFWSA-N 0 0 190.286 2.946 10 30 AFEERN CC(C)c1c(F)cccc1C#N 114631113 572577256 /nfs/dbraw/zinc/57/72/56/572577256.db2.gz MLDOPVUKRYNFTK-UHFFFAOYSA-N 0 0 163.195 2.821 10 30 AFEERN C=C(CC)CC(=O)CC1CC1 87580880 572577360 /nfs/dbraw/zinc/57/73/60/572577360.db2.gz WVXVCUOTZPPBEO-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)[C@@H]1CCC2(CC2)[C@H](O)C1 306292631 572577441 /nfs/dbraw/zinc/57/74/41/572577441.db2.gz VQFVVCCRFKJQHM-NXEZZACHSA-N 0 0 166.264 2.504 10 30 AFEERN C=CCc1ccc(O)c(CC=C)c1 114653190 572577992 /nfs/dbraw/zinc/57/79/92/572577992.db2.gz KZIHKFYOPMQASD-UHFFFAOYSA-N 0 0 174.243 2.849 10 30 AFEERN C=CC[C@H](C)[C@@H]1CC[C@H](C)[C@@H](O)C1 306274585 572578076 /nfs/dbraw/zinc/57/80/76/572578076.db2.gz PXXHIXSBATWCFU-YFKTTZPYSA-N 0 0 182.307 2.996 10 30 AFEERN CC(C)(C)C[C@]1(C#N)CCCC1=O 713351302 572578128 /nfs/dbraw/zinc/57/81/28/572578128.db2.gz GJNBVWLRLXTNEP-NSHDSACASA-N 0 0 179.263 2.686 10 30 AFEERN C=CCS[C@@]1(C)CCC[C@]1(C)O 306281880 572578229 /nfs/dbraw/zinc/57/82/29/572578229.db2.gz YIJCWHNSZBCZJO-UWVGGRQHSA-N 0 0 186.320 2.599 10 30 AFEERN CC(C)C(C)(C)CN(C)C(C)(C)C#N 713341090 572578263 /nfs/dbraw/zinc/57/82/63/572578263.db2.gz AJTBBOBWUISIGX-UHFFFAOYSA-N 0 0 196.338 2.903 10 30 AFEERN C=CCCC1=C[C@H](O)C[C@@H](C)C1 306272860 572580825 /nfs/dbraw/zinc/58/08/25/572580825.db2.gz YIDCPMMWULERLW-GXSJLCMTSA-N 0 0 166.264 2.670 10 30 AFEERN C#CCSC(C)(C)C(C)C 306218815 572578860 /nfs/dbraw/zinc/57/88/60/572578860.db2.gz SBAHBZFCPWVABF-UHFFFAOYSA-N 0 0 156.294 2.787 10 30 AFEERN C=C(C)[C@@](O)(CC)C1CCCC1 307595812 572579636 /nfs/dbraw/zinc/57/96/36/572579636.db2.gz LRLKVGYLDZZTHO-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C=CC[C@H](O)[C@H](C)CC(F)(F)F 402849562 572579737 /nfs/dbraw/zinc/57/97/37/572579737.db2.gz NKXCLYJAUCDJGM-RQJHMYQMSA-N 0 0 182.185 2.512 10 30 AFEERN C=CCSc1cc(C)c(F)cc1N 306259285 572579724 /nfs/dbraw/zinc/57/97/24/572579724.db2.gz BGYDRWDDGGLTFW-UHFFFAOYSA-N 0 0 197.278 2.994 10 30 AFEERN C=C(C)CC[C@@H]1[C@@H]2C(=O)CC[C@@]21C 306252074 572579749 /nfs/dbraw/zinc/57/97/49/572579749.db2.gz IVOLEBNLORUQFB-YUSALJHKSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@@H]1C[C@H]1C(=O)CCCC 214672999 572579770 /nfs/dbraw/zinc/57/97/70/572579770.db2.gz FHKHECGDRYXEJS-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H](C)Nc1cc2cc[nH]c2cn1 306271999 572579958 /nfs/dbraw/zinc/57/99/58/572579958.db2.gz WOLTWHOUMLUFSK-QMMMGPOBSA-N 0 0 187.246 2.549 10 30 AFEERN C=C(CCC=O)c1ccc(OC)cc1 238344004 572580094 /nfs/dbraw/zinc/58/00/94/572580094.db2.gz AHDOTQIULBHAKE-UHFFFAOYSA-N 0 0 190.242 2.688 10 30 AFEERN C=CCC[C@]1(C)C[C@H](C)C[C@H]1O 306290831 572580139 /nfs/dbraw/zinc/58/01/39/572580139.db2.gz RGFLEDRBKLOLEP-GMTAPVOTSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@]1(C(C)C)C[C@@H]2C[C@@H]2[C@H]1O 306279065 572580470 /nfs/dbraw/zinc/58/04/70/572580470.db2.gz XUPGMJHPDJYAJM-NNYUYHANSA-N 0 0 180.291 2.606 10 30 AFEERN C=C1[C@H](O)C[C@]23CCC[C@]12[C@@H](C)CC3 306288319 572580563 /nfs/dbraw/zinc/58/05/63/572580563.db2.gz MJWQZDHIOVCDMJ-SQNXGDPESA-N 0 0 192.302 2.894 10 30 AFEERN Cc1sc(N)c(C#N)c1CC(C)C 205197791 572580603 /nfs/dbraw/zinc/58/06/03/572580603.db2.gz JOTNCZBXOVATHA-UHFFFAOYSA-N 0 0 194.303 2.709 10 30 AFEERN C(CCC1CC1)=NOCC1CC1 308069443 572580622 /nfs/dbraw/zinc/58/06/22/572580622.db2.gz APBDYEUFCZTQGS-UHFFFAOYSA-N 0 0 167.252 2.589 10 30 AFEERN COc1ccccc1C(C)(C)CC=O 238344307 572580629 /nfs/dbraw/zinc/58/06/29/572580629.db2.gz CAIDFRSEPZHPIJ-UHFFFAOYSA-N 0 0 192.258 2.562 10 30 AFEERN C=C1[C@H](O)[C@H](CC)C(=C)C1(C)C 306231774 572580888 /nfs/dbraw/zinc/58/08/88/572580888.db2.gz CEPRAYOGHIVMJN-ZJUUUORDSA-N 0 0 166.264 2.526 10 30 AFEERN CC(C)(C)C[C@]1(C#N)CCCOC1 713351887 572580902 /nfs/dbraw/zinc/58/09/02/572580902.db2.gz RFARHLYTJNRLTJ-NSHDSACASA-N 0 0 181.279 2.743 10 30 AFEERN C=C1[C@@H](O)[C@H](CC)C(=C)C1(C)C 306231745 572580959 /nfs/dbraw/zinc/58/09/59/572580959.db2.gz CEPRAYOGHIVMJN-NXEZZACHSA-N 0 0 166.264 2.526 10 30 AFEERN CC(C)c1ccc2[nH]c(CC#N)nc2c1 71743267 572581116 /nfs/dbraw/zinc/58/11/16/572581116.db2.gz JLJZEQSGZIGZHH-UHFFFAOYSA-N 0 0 199.257 2.752 10 30 AFEERN C#CCSCCC(C)(C)C 306239824 572581489 /nfs/dbraw/zinc/58/14/89/572581489.db2.gz QJPKAYZZHWSRFA-UHFFFAOYSA-N 0 0 156.294 2.789 10 30 AFEERN CC(C)(C)C[C@@]1(C#N)CCCOC1 713351884 572581551 /nfs/dbraw/zinc/58/15/51/572581551.db2.gz RFARHLYTJNRLTJ-LLVKDONJSA-N 0 0 181.279 2.743 10 30 AFEERN C=CC[C@@H](O)[C@H](C)CC(F)(F)F 402849561 572581791 /nfs/dbraw/zinc/58/17/91/572581791.db2.gz NKXCLYJAUCDJGM-RNFRBKRXSA-N 0 0 182.185 2.512 10 30 AFEERN O=CCCC(F)(F)c1ccccc1 114660236 572581829 /nfs/dbraw/zinc/58/18/29/572581829.db2.gz BYULVDFAIZLOJE-UHFFFAOYSA-N 0 0 184.185 2.758 10 30 AFEERN CC(C)(C)C[C@@]1(C#N)CCCC1=O 713351301 572582122 /nfs/dbraw/zinc/58/21/22/572582122.db2.gz GJNBVWLRLXTNEP-LLVKDONJSA-N 0 0 179.263 2.686 10 30 AFEERN C=C[C@H](C)Sc1nnc(C)s1 307560712 572582156 /nfs/dbraw/zinc/58/21/56/572582156.db2.gz YEJKTTSSAHIBEN-YFKPBYRVSA-N 0 0 186.305 2.513 10 30 AFEERN C=CCCC1=C[C@@H](O)C[C@@H](C)C1 306272863 572582330 /nfs/dbraw/zinc/58/23/30/572582330.db2.gz YIDCPMMWULERLW-ONGXEEELSA-N 0 0 166.264 2.670 10 30 AFEERN C=CC[C@]12CCC[C@]13C[C@@H]3[C@@H](O)CC2 306227190 572582391 /nfs/dbraw/zinc/58/23/91/572582391.db2.gz WJEJMANBEDAGCA-YVECIDJPSA-N 0 0 192.302 2.894 10 30 AFEERN C=C(CC)CNc1cc(C)ccc1N 307558108 572582430 /nfs/dbraw/zinc/58/24/30/572582430.db2.gz CMMRLWXZAMGQFI-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C#CC[C@]1(O)CCCC12CCCCC2 306246070 572582636 /nfs/dbraw/zinc/58/26/36/572582636.db2.gz CUXIMHNDVSYPHF-ZDUSSCGKSA-N 0 0 192.302 2.875 10 30 AFEERN C#CCCSCCC(=C)C 306200460 572582639 /nfs/dbraw/zinc/58/26/39/572582639.db2.gz TXKSAHSTFZSGJF-UHFFFAOYSA-N 0 0 154.278 2.709 10 30 AFEERN C=C(C)[C@H]1CC(C)(C)C[C@@H]1CCO 306276535 572582694 /nfs/dbraw/zinc/58/26/94/572582694.db2.gz HBWYXXLLIANMJG-WDEREUQCSA-N 0 0 182.307 2.997 10 30 AFEERN CO[C@@H](C=O)[C@@H](C)CCC=C(C)C 114744535 572582934 /nfs/dbraw/zinc/58/29/34/572582934.db2.gz CEYIYCUYBNZLAK-QWRGUYRKSA-N 0 0 184.279 2.583 10 30 AFEERN CO[C@@H](C=O)[C@H](C)CCC=C(C)C 114744538 572582958 /nfs/dbraw/zinc/58/29/58/572582958.db2.gz CEYIYCUYBNZLAK-MNOVXSKESA-N 0 0 184.279 2.583 10 30 AFEERN O=C(CCC1CC1)C1=CCCC1 236397080 572583292 /nfs/dbraw/zinc/58/32/92/572583292.db2.gz DPJHISUUZYZFCD-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C=C(C)[C@H](O)C1(OC)CCC(C)CC1 307511638 572583480 /nfs/dbraw/zinc/58/34/80/572583480.db2.gz CHAUFKLINHGUHD-CXQJBGSLSA-N 0 0 198.306 2.519 10 30 AFEERN CC(C)(C)C[C@@]1(C=O)CCOC1(C)C 713360558 572583484 /nfs/dbraw/zinc/58/34/84/572583484.db2.gz OZJVJBQOBJUIPG-GFCCVEGCSA-N 0 0 198.306 2.807 10 30 AFEERN C#C/C=C/[C@@H](C)[C@H]1CCCC(=O)C1 307568245 572583768 /nfs/dbraw/zinc/58/37/68/572583768.db2.gz VMELUEZKQCNUAK-MRUFAENASA-N 0 0 176.259 2.571 10 30 AFEERN C#C/C(C)=C/C(C)(C)CC(C)=O 306229533 572583936 /nfs/dbraw/zinc/58/39/36/572583936.db2.gz GZXWKTNAOQOREA-VQHVLOKHSA-N 0 0 164.248 2.571 10 30 AFEERN C=C[C@@H](CC=O)c1ccc(OC)cc1 238345252 572584044 /nfs/dbraw/zinc/58/40/44/572584044.db2.gz TYXANZZDJCBMED-JTQLQIEISA-N 0 0 190.242 2.554 10 30 AFEERN CC=NOc1ccccc1Cl 713370512 572584058 /nfs/dbraw/zinc/58/40/58/572584058.db2.gz GASYRXKLMIGADJ-UHFFFAOYSA-N 0 0 169.611 2.725 10 30 AFEERN C=C(C)CCNc1ccc(N)c(C)c1 307588170 572584068 /nfs/dbraw/zinc/58/40/68/572584068.db2.gz WGIZUWKNVKTSEY-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN CO[C@H](C=O)[C@@H](C)CCC=C(C)C 114744536 572584188 /nfs/dbraw/zinc/58/41/88/572584188.db2.gz CEYIYCUYBNZLAK-WDEREUQCSA-N 0 0 184.279 2.583 10 30 AFEERN C=C(C)[C@@H]1C[C@@H]1C(=O)CCCC 214673045 572584327 /nfs/dbraw/zinc/58/43/27/572584327.db2.gz FHKHECGDRYXEJS-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CC=NOc1ccc(Cl)cc1 713355827 572584336 /nfs/dbraw/zinc/58/43/36/572584336.db2.gz QXSPDOWAOXSZPM-UHFFFAOYSA-N 0 0 169.611 2.725 10 30 AFEERN CCCCCCN=NC(C)(C)C 308067386 572584458 /nfs/dbraw/zinc/58/44/58/572584458.db2.gz ZHNLDVGRDXCFSA-UHFFFAOYSA-N 0 0 170.300 2.941 10 30 AFEERN CC#C[C@](O)(CCC)C(C)(C)C 307558316 572584463 /nfs/dbraw/zinc/58/44/63/572584463.db2.gz DHWFYAWTULSCSO-LLVKDONJSA-N 0 0 168.280 2.587 10 30 AFEERN CO[C@H](C#N)c1ccc(Cl)cc1C 234767383 572584929 /nfs/dbraw/zinc/58/49/29/572584929.db2.gz KVEMFYACIZZFLH-SNVBAGLBSA-N 0 0 195.649 2.860 10 30 AFEERN C#CCC[C@@]1(C)C=C(CO)CC[C@H]1C 306266210 572585152 /nfs/dbraw/zinc/58/51/52/572585152.db2.gz DSMLBVVERNWPSS-YPMHNXCESA-N 0 0 192.302 2.755 10 30 AFEERN C=C(CC)CNc1ncc(F)cc1F 306251450 572585178 /nfs/dbraw/zinc/58/51/78/572585178.db2.gz QSKGXPYVWOAIMM-UHFFFAOYSA-N 0 0 198.216 2.738 10 30 AFEERN C=C[C@@H](C)[C@@H]1CCC(CO)=C1C 306251764 572585213 /nfs/dbraw/zinc/58/52/13/572585213.db2.gz UIJJPTJYTSGTKE-KCJUWKMLSA-N 0 0 166.264 2.527 10 30 AFEERN C=C(C)[C@H]1C[C@H]1C(=O)CCCC 214672950 572585426 /nfs/dbraw/zinc/58/54/26/572585426.db2.gz FHKHECGDRYXEJS-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@]1(C)CC[C@H](O)[C@H](C(C)C)O1 306258963 572585572 /nfs/dbraw/zinc/58/55/72/572585572.db2.gz IYXLJWRQZNGBPH-SDDRHHMPSA-N 0 0 198.306 2.517 10 30 AFEERN CC(C)(C)C[C@]1(C=O)CCOC1(C)C 713360559 572586009 /nfs/dbraw/zinc/58/60/09/572586009.db2.gz OZJVJBQOBJUIPG-LBPRGKRZSA-N 0 0 198.306 2.807 10 30 AFEERN C=C(C)CN(C)c1cc(N)ccc1C 307540718 572586362 /nfs/dbraw/zinc/58/63/62/572586362.db2.gz AFWJPDJRJHWIIK-UHFFFAOYSA-N 0 0 190.290 2.590 10 30 AFEERN CC[C@H](C)C=NN[C@H](C)C(C)C 308067902 572586419 /nfs/dbraw/zinc/58/64/19/572586419.db2.gz ZRCZWRXCMRAVNG-VHSXEESVSA-N 0 0 170.300 2.652 10 30 AFEERN C=C1Nc2ccccc2C1(C)C 114696959 572586662 /nfs/dbraw/zinc/58/66/62/572586662.db2.gz KTHDNPWSWVXTSM-UHFFFAOYSA-N 0 0 159.232 2.903 10 30 AFEERN C=C1C[C@@H]2CCCC[C@H](O)[C@@H]2C1 306269693 572586668 /nfs/dbraw/zinc/58/66/68/572586668.db2.gz SVWZXLJAOSZMLZ-AXFHLTTASA-N 0 0 166.264 2.504 10 30 AFEERN C=C(F)C[C@@H](O)c1ccc(OC)cc1 238351817 572586721 /nfs/dbraw/zinc/58/67/21/572586721.db2.gz AMBUJSKKWYLZCV-LLVKDONJSA-N 0 0 196.221 2.602 10 30 AFEERN C=C[C@H](C)[C@@H]1CCC(CO)=C1C 306251765 572586852 /nfs/dbraw/zinc/58/68/52/572586852.db2.gz UIJJPTJYTSGTKE-KWQFWETISA-N 0 0 166.264 2.527 10 30 AFEERN CC1(C=NOCC2CC2)CCC1 308068445 572586911 /nfs/dbraw/zinc/58/69/11/572586911.db2.gz ABBMLZYYDZEOKU-UHFFFAOYSA-N 0 0 167.252 2.589 10 30 AFEERN C=CCSc1cc(C)cc(N)c1 306298141 572587119 /nfs/dbraw/zinc/58/71/19/572587119.db2.gz GHZPJRBGCBZESL-UHFFFAOYSA-N 0 0 179.288 2.855 10 30 AFEERN C=C(C)CC(=O)Nc1ccsc1 306272220 572587174 /nfs/dbraw/zinc/58/71/74/572587174.db2.gz XABLRZOFTMQRKV-UHFFFAOYSA-N 0 0 181.260 2.653 10 30 AFEERN CC(=NOCCC1CC1)C(C)C 308068454 572587205 /nfs/dbraw/zinc/58/72/05/572587205.db2.gz ABLRWUQNTCFCJR-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN C#CCOc1ccccc1/C=C/C 306245051 572591093 /nfs/dbraw/zinc/59/10/93/572591093.db2.gz YFVMXJHSFDHNGT-XVNBXDOJSA-N 0 0 172.227 2.732 10 30 AFEERN C=C[C@]12CCCC[C@H]1C[C@H]2C(C)=O 306265615 572587349 /nfs/dbraw/zinc/58/73/49/572587349.db2.gz GEXKUJAVAUQFRZ-SRVKXCTJSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@H](O)[C@@]1(OC)CCC[C@H](C)C1 307510380 572587484 /nfs/dbraw/zinc/58/74/84/572587484.db2.gz BPOWLPFNQZQRFH-SDDRHHMPSA-N 0 0 198.306 2.519 10 30 AFEERN C=CCS[C@@]1(C)CCC[C@@]1(C)O 306281882 572587830 /nfs/dbraw/zinc/58/78/30/572587830.db2.gz YIJCWHNSZBCZJO-ZJUUUORDSA-N 0 0 186.320 2.599 10 30 AFEERN C(=Nc1ccccc1)c1ccncc1 255968705 572587942 /nfs/dbraw/zinc/58/79/42/572587942.db2.gz DDHVJFYBTGEOJS-UHFFFAOYSA-N 0 0 182.226 2.832 10 30 AFEERN C=C(C)CCOC[C@H]1CCC[C@H](O)C1 403096197 572588016 /nfs/dbraw/zinc/58/80/16/572588016.db2.gz LUTLDDWZEYRELJ-RYUDHWBXSA-N 0 0 198.306 2.520 10 30 AFEERN C=C(Cl)C(C)(C)C(=O)OC(C)C 308068430 572588090 /nfs/dbraw/zinc/58/80/90/572588090.db2.gz AACACBGTGDEPRO-UHFFFAOYSA-N 0 0 190.670 2.717 10 30 AFEERN CC[C@H](C)C=NN[C@@H](C)C(C)C 308067901 572588171 /nfs/dbraw/zinc/58/81/71/572588171.db2.gz ZRCZWRXCMRAVNG-UWVGGRQHSA-N 0 0 170.300 2.652 10 30 AFEERN CCCc1ccccc1CCC=O 114828147 572588254 /nfs/dbraw/zinc/58/82/54/572588254.db2.gz TZNDKBWKBBZAGK-UHFFFAOYSA-N 0 0 176.259 2.771 10 30 AFEERN C=CC[C@]1(C)CC[C@H](O)[C@@H](C(C)C)O1 306258961 572588347 /nfs/dbraw/zinc/58/83/47/572588347.db2.gz IYXLJWRQZNGBPH-QJPTWQEYSA-N 0 0 198.306 2.517 10 30 AFEERN C=CCCC1=C[C@@H](O)C[C@H](C)C1 306272861 572588401 /nfs/dbraw/zinc/58/84/01/572588401.db2.gz YIDCPMMWULERLW-KOLCDFICSA-N 0 0 166.264 2.670 10 30 AFEERN CC#C[C@H](O)C1CCCCCCC1 306237821 572588425 /nfs/dbraw/zinc/58/84/25/572588425.db2.gz FXDLROJZVDTSQB-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN CC[C@@H](C)C=NN[C@H](C)C(C)C 308067900 572588566 /nfs/dbraw/zinc/58/85/66/572588566.db2.gz ZRCZWRXCMRAVNG-NXEZZACHSA-N 0 0 170.300 2.652 10 30 AFEERN CC#CC[C@@H](O)C(C)(C)C(C)(C)C 306205856 572589318 /nfs/dbraw/zinc/58/93/18/572589318.db2.gz HCHOTTPDZUGYIY-SNVBAGLBSA-N 0 0 182.307 2.833 10 30 AFEERN ClC=Nc1ccccc1 307832244 572589342 /nfs/dbraw/zinc/58/93/42/572589342.db2.gz RCDBQEDYXZEYNM-UHFFFAOYSA-N 0 0 139.585 2.585 10 30 AFEERN C=C[C@@H](COC)c1cc(C)ccc1O 238352369 572589349 /nfs/dbraw/zinc/58/93/49/572589349.db2.gz XYJQEMMEXIBYOQ-JTQLQIEISA-N 0 0 192.258 2.617 10 30 AFEERN C=C(CCO)C1CCCCC1 114907392 572589361 /nfs/dbraw/zinc/58/93/61/572589361.db2.gz PBGBWWIJVLPYLB-UHFFFAOYSA-N 0 0 154.253 2.505 10 30 AFEERN C=C1[C@@H](O)[C@@H](c2ccccc2)C[C@H]1C 307523423 572589646 /nfs/dbraw/zinc/58/96/46/572589646.db2.gz CMMUUTJHRLPMGQ-OASPWFOLSA-N 0 0 188.270 2.727 10 30 AFEERN C=C(C)CNc1noc2ccccc12 306204456 572589805 /nfs/dbraw/zinc/58/98/05/572589805.db2.gz DIGGRPOMYTXAHI-UHFFFAOYSA-N 0 0 188.230 2.816 10 30 AFEERN C=CCC[C@]1(C)C[C@H](C)C[C@@H]1O 306290833 572589882 /nfs/dbraw/zinc/58/98/82/572589882.db2.gz RGFLEDRBKLOLEP-OUAUKWLOSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)CCOC[C@@H]1CCC[C@@H](O)C1 403096199 572589970 /nfs/dbraw/zinc/58/99/70/572589970.db2.gz LUTLDDWZEYRELJ-VXGBXAGGSA-N 0 0 198.306 2.520 10 30 AFEERN Cc1c(O)ccc([C@H](C)C#N)c1C 114913811 572589996 /nfs/dbraw/zinc/58/99/96/572589996.db2.gz ISCYFCXFZRXJJK-SSDOTTSWSA-N 0 0 175.231 2.636 10 30 AFEERN CC(C)c1ccccc1CCC=O 114870492 572590076 /nfs/dbraw/zinc/59/00/76/572590076.db2.gz PVKRSUHEHCPAKV-UHFFFAOYSA-N 0 0 176.259 2.942 10 30 AFEERN C=CC[C@]1(C)CC[C@@H](O)[C@@H](C(C)C)O1 306258959 572590135 /nfs/dbraw/zinc/59/01/35/572590135.db2.gz IYXLJWRQZNGBPH-IJLUTSLNSA-N 0 0 198.306 2.517 10 30 AFEERN C=C(C)[C@@H]1CC(C)(C)C[C@@H]1CCO 306276533 572590252 /nfs/dbraw/zinc/59/02/52/572590252.db2.gz HBWYXXLLIANMJG-QWRGUYRKSA-N 0 0 182.307 2.997 10 30 AFEERN C=CCCC(=O)c1ncccc1Cl 236036513 572590345 /nfs/dbraw/zinc/59/03/45/572590345.db2.gz NCEHKJSVMPZJRC-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN Cc1occc1S[C@H](C)CC=O 114847961 572590393 /nfs/dbraw/zinc/59/03/93/572590393.db2.gz KOVPWECWUZGDHY-SSDOTTSWSA-N 0 0 184.260 2.658 10 30 AFEERN Cc1occc1S[C@@H](C)CC=O 114847960 572590300 /nfs/dbraw/zinc/59/03/00/572590300.db2.gz KOVPWECWUZGDHY-ZETCQYMHSA-N 0 0 184.260 2.658 10 30 AFEERN C=C1[C@H](C)CC[C@@H](CO)C1(C)C 307522773 572590428 /nfs/dbraw/zinc/59/04/28/572590428.db2.gz PSGJUFVFCYNNIA-SCZZXKLOSA-N 0 0 168.280 2.607 10 30 AFEERN C=C(CC)C[C@@H](O)c1cscn1 87589395 572590625 /nfs/dbraw/zinc/59/06/25/572590625.db2.gz WEOPTRALJZLLJI-SECBINFHSA-N 0 0 183.276 2.533 10 30 AFEERN Cc1ccccc1[C@@H]1CC(=O)C=CO1 69850379 572590667 /nfs/dbraw/zinc/59/06/67/572590667.db2.gz JUISJAYTDHXVFT-LBPRGKRZSA-N 0 0 188.226 2.539 10 30 AFEERN CC#C[C@@H](O)C1CCCCCCC1 306237820 572590671 /nfs/dbraw/zinc/59/06/71/572590671.db2.gz FXDLROJZVDTSQB-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN Cc1cccc2c1ncn2[C@H](C)CC#N 95922570 572591036 /nfs/dbraw/zinc/59/10/36/572591036.db2.gz KMJSDWIBDOJONE-SNVBAGLBSA-N 0 0 199.257 2.819 10 30 AFEERN C#CCCCC(=O)c1ccoc1Cl 236035819 572591130 /nfs/dbraw/zinc/59/11/30/572591130.db2.gz SWSJSBJMZADQTA-UHFFFAOYSA-N 0 0 196.633 2.919 10 30 AFEERN Cc1cccc2c1ncn2[C@@H](C)CC#N 95922569 572591147 /nfs/dbraw/zinc/59/11/47/572591147.db2.gz KMJSDWIBDOJONE-JTQLQIEISA-N 0 0 199.257 2.819 10 30 AFEERN C[C@@]12CCC#CCC[C@@]1(C)C2CCO 307536131 572591215 /nfs/dbraw/zinc/59/12/15/572591215.db2.gz PLQJZKMBDDAAOE-STQMWFEESA-N 0 0 192.302 2.589 10 30 AFEERN C=CC/C=C/c1ccccc1O 306244672 572591374 /nfs/dbraw/zinc/59/13/74/572591374.db2.gz VGUITEAKBFEVLN-QPJJXVBHSA-N 0 0 160.216 2.982 10 30 AFEERN O=C1C=COC2(CCCCCCC2)C1 69852409 572591514 /nfs/dbraw/zinc/59/15/14/572591514.db2.gz PRUZZKYMAZTQFU-UHFFFAOYSA-N 0 0 194.274 2.973 10 30 AFEERN C=C[C@H](C)Sc1ncccc1C#N 306272270 572591562 /nfs/dbraw/zinc/59/15/62/572591562.db2.gz XEAXAWAOGJVQLJ-QMMMGPOBSA-N 0 0 190.271 2.620 10 30 AFEERN C#CCCCC(=O)c1ccc(Cl)o1 236042634 572591657 /nfs/dbraw/zinc/59/16/57/572591657.db2.gz HGVIXALBWQLUCU-UHFFFAOYSA-N 0 0 196.633 2.919 10 30 AFEERN C/C=C\C(=O)C[C@@H](C)CC 307834570 572591819 /nfs/dbraw/zinc/59/18/19/572591819.db2.gz MYQJFLVLZUMLHA-HORMHSFOSA-N 0 0 140.226 2.568 10 30 AFEERN CC(C)CC[C@@]1(C)CC(=O)C=CO1 69852446 572591940 /nfs/dbraw/zinc/59/19/40/572591940.db2.gz RXKPMWGAJCGRPM-NSHDSACASA-N 0 0 182.263 2.684 10 30 AFEERN Cc1ccccc1[C@H]1CC(=O)C=CO1 69850380 572592380 /nfs/dbraw/zinc/59/23/80/572592380.db2.gz JUISJAYTDHXVFT-GFCCVEGCSA-N 0 0 188.226 2.539 10 30 AFEERN C=C[C@@H](C)Nc1cc(C)cc(C#N)c1 307597430 572592526 /nfs/dbraw/zinc/59/25/26/572592526.db2.gz NULMDQWCGURNLO-SNVBAGLBSA-N 0 0 186.258 2.853 10 30 AFEERN N#Cc1cccc(-c2ccccc2)c1O 114869622 572592575 /nfs/dbraw/zinc/59/25/75/572592575.db2.gz UOVXTEFPYVCQKI-UHFFFAOYSA-N 0 0 195.221 2.931 10 30 AFEERN C=CCCNc1cc(C)c(C)cc1N 306234164 572592809 /nfs/dbraw/zinc/59/28/09/572592809.db2.gz MBZYZNVPISORLC-UHFFFAOYSA-N 0 0 190.290 2.874 10 30 AFEERN C=CCCC[C@H](O)c1cscn1 87589462 572592988 /nfs/dbraw/zinc/59/29/88/572592988.db2.gz KADKBUPQPONNCE-VIFPVBQESA-N 0 0 183.276 2.533 10 30 AFEERN C=C(C)[C@H]1CC(C)(C)C[C@H]1CCO 306276529 572593002 /nfs/dbraw/zinc/59/30/02/572593002.db2.gz HBWYXXLLIANMJG-GHMZBOCLSA-N 0 0 182.307 2.997 10 30 AFEERN C=C(C)CNc1ccccc1[C@@H](C)O 306289844 572593161 /nfs/dbraw/zinc/59/31/61/572593161.db2.gz OMKVDBYKUIJKCK-SNVBAGLBSA-N 0 0 191.274 2.728 10 30 AFEERN CC(C)CC[C@]1(C)CC(=O)C=CO1 69852444 572593211 /nfs/dbraw/zinc/59/32/11/572593211.db2.gz RXKPMWGAJCGRPM-LLVKDONJSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCCC(=O)c1cscn1 87589068 572593247 /nfs/dbraw/zinc/59/32/47/572593247.db2.gz ORXHITGVADPESV-UHFFFAOYSA-N 0 0 181.260 2.682 10 30 AFEERN C=C[C@@H](C)Nc1cc2cc[nH]c2cn1 306271998 572593279 /nfs/dbraw/zinc/59/32/79/572593279.db2.gz WOLTWHOUMLUFSK-MRVPVSSYSA-N 0 0 187.246 2.549 10 30 AFEERN C=C(CC)CNc1ncccc1C 306206317 572593385 /nfs/dbraw/zinc/59/33/85/572593385.db2.gz VCNCHYFVUXGNEK-UHFFFAOYSA-N 0 0 176.263 2.768 10 30 AFEERN C/C=C\C(=O)C[C@H](C)CC 307834571 572593391 /nfs/dbraw/zinc/59/33/91/572593391.db2.gz MYQJFLVLZUMLHA-RZAAKKIOSA-N 0 0 140.226 2.568 10 30 AFEERN C=C(C)[C@](O)(CC)C1CCCC1 307595810 572593489 /nfs/dbraw/zinc/59/34/89/572593489.db2.gz LRLKVGYLDZZTHO-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC[C@]1(C)C[C@@H](C)C[C@@H]1O 306290830 572593537 /nfs/dbraw/zinc/59/35/37/572593537.db2.gz RGFLEDRBKLOLEP-GARJFASQSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@]12CCCC[C@@H]1C[C@H]2C(C)=O 306265617 572593572 /nfs/dbraw/zinc/59/35/72/572593572.db2.gz GEXKUJAVAUQFRZ-WOPDTQHZSA-N 0 0 178.275 2.958 10 30 AFEERN C#CCSCC/C=C\CC 307835558 572593701 /nfs/dbraw/zinc/59/37/01/572593701.db2.gz OQPRRZUKGFLDLJ-WAYWQWQTSA-N 0 0 154.278 2.709 10 30 AFEERN C=CC[C@@]1(O)C[C@@H](C)c2ccccc21 306245344 572593840 /nfs/dbraw/zinc/59/38/40/572593840.db2.gz NPPXGSNBUMKYKC-ZWNOBZJWSA-N 0 0 188.270 2.958 10 30 AFEERN CCC1CCC2(CC1)CC(=O)C=CO2 69852418 572593875 /nfs/dbraw/zinc/59/38/75/572593875.db2.gz FLBAMOLSCPCCFE-UHFFFAOYSA-N 0 0 194.274 2.829 10 30 AFEERN C#CCC[C@]1(C)C=C(CO)CC[C@H]1C 306266207 572593908 /nfs/dbraw/zinc/59/39/08/572593908.db2.gz DSMLBVVERNWPSS-DGCLKSJQSA-N 0 0 192.302 2.755 10 30 AFEERN C=CCCC[C@@H](O)c1cscn1 87589463 572594023 /nfs/dbraw/zinc/59/40/23/572594023.db2.gz KADKBUPQPONNCE-SECBINFHSA-N 0 0 183.276 2.533 10 30 AFEERN C=CC[C@H](C)[C@@H]1O[C@H](O)[C@H](C)C[C@@H]1C 306274074 572594553 /nfs/dbraw/zinc/59/45/53/572594553.db2.gz FFZLHDBQLLDJLH-SVNGYHJRSA-N 0 0 198.306 2.578 10 30 AFEERN C=CCCCCCNc1cnn(C)c1 236060744 572594619 /nfs/dbraw/zinc/59/46/19/572594619.db2.gz WQOHZXKXBXBATI-UHFFFAOYSA-N 0 0 193.294 2.578 10 30 AFEERN C=CCCC1=C[C@H](O)C[C@H](C)C1 306272862 572595056 /nfs/dbraw/zinc/59/50/56/572595056.db2.gz YIDCPMMWULERLW-MWLCHTKSSA-N 0 0 166.264 2.670 10 30 AFEERN C=C(Cl)CN[C@H]1CCCC1(F)F 307573998 572595073 /nfs/dbraw/zinc/59/50/73/572595073.db2.gz GYXYHDNDASDDIZ-ZETCQYMHSA-N 0 0 195.640 2.516 10 30 AFEERN C=C(C)[C@H](NN)[C@@H](CCC)CC(C)C 308070540 572595160 /nfs/dbraw/zinc/59/51/60/572595160.db2.gz PRKNYAHJPNIPPW-RYUDHWBXSA-N 0 0 198.354 2.857 10 30 AFEERN CC#CC[C@H](O)C(C)(C)C(C)(C)C 306205855 572595189 /nfs/dbraw/zinc/59/51/89/572595189.db2.gz HCHOTTPDZUGYIY-JTQLQIEISA-N 0 0 182.307 2.833 10 30 AFEERN C=C(C)[C@@H](NN)[C@H](CCC)CC(C)C 308070541 572595214 /nfs/dbraw/zinc/59/52/14/572595214.db2.gz PRKNYAHJPNIPPW-VXGBXAGGSA-N 0 0 198.354 2.857 10 30 AFEERN C=C(Br)CO[C@@H](C)CC 307528628 572595403 /nfs/dbraw/zinc/59/54/03/572595403.db2.gz KNQYJRPVJICICF-ZETCQYMHSA-N 0 0 193.084 2.710 10 30 AFEERN C=CCS[C@]1(C)CCC[C@@]1(C)O 306281879 572595668 /nfs/dbraw/zinc/59/56/68/572595668.db2.gz YIJCWHNSZBCZJO-NXEZZACHSA-N 0 0 186.320 2.599 10 30 AFEERN C=CC[C@]1(O)C[C@@H](C)c2ccccc21 306245343 572595672 /nfs/dbraw/zinc/59/56/72/572595672.db2.gz NPPXGSNBUMKYKC-MFKMUULPSA-N 0 0 188.270 2.958 10 30 AFEERN C=C(C[Si](C)(C)C)C1=C[C@@H](O)CC1 306231675 572595720 /nfs/dbraw/zinc/59/57/20/572595720.db2.gz AILVQLOPNCTGDQ-NSHDSACASA-N 0 0 196.366 2.962 10 30 AFEERN C=C1C[C@H](O)C[C@H](C)[C@@H]2CCC[C@@H]12 306261261 572595815 /nfs/dbraw/zinc/59/58/15/572595815.db2.gz LBXAXEZRSDZKKE-BJDJZHNGSA-N 0 0 180.291 2.750 10 30 AFEERN FC(F)C#C/C=C/c1ccccc1 306239986 572595927 /nfs/dbraw/zinc/59/59/27/572595927.db2.gz RGBCHALJUBBWKJ-XBXARRHUSA-N 0 0 178.181 2.968 10 30 AFEERN C#C[C@H]1CCCC[C@@H]1CC 307541692 572596886 /nfs/dbraw/zinc/59/68/86/572596886.db2.gz ONDWGULTSNVWGR-UWVGGRQHSA-N 0 0 136.238 2.836 10 30 AFEERN C=C1C[C@H](O)C[C@H](C)[C@H]2CCC[C@H]12 306261264 572597355 /nfs/dbraw/zinc/59/73/55/572597355.db2.gz LBXAXEZRSDZKKE-NNYUYHANSA-N 0 0 180.291 2.750 10 30 AFEERN C#C[C@H]1CSc2ccccc21 306224984 572597362 /nfs/dbraw/zinc/59/73/62/572597362.db2.gz LIEQJRDPIIBNTR-QMMMGPOBSA-N 0 0 160.241 2.509 10 30 AFEERN C=C[C@]12CCCCC1=CCC2=O 196509814 572597516 /nfs/dbraw/zinc/59/75/16/572597516.db2.gz XOODCFRVMXRNAV-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN Cc1nsc(C(C)(C)C)c1C#N 74302998 572597661 /nfs/dbraw/zinc/59/76/61/572597661.db2.gz CVRZKRXFTJWJCI-UHFFFAOYSA-N 0 0 180.276 2.621 10 30 AFEERN C=C(C)[C@H](NN)[C@H](CCC)CC(C)C 308070538 572598080 /nfs/dbraw/zinc/59/80/80/572598080.db2.gz PRKNYAHJPNIPPW-NEPJUHHUSA-N 0 0 198.354 2.857 10 30 AFEERN C=C(C)[C@@H](NN)[C@@H](CCC)CC(C)C 308070539 572598226 /nfs/dbraw/zinc/59/82/26/572598226.db2.gz PRKNYAHJPNIPPW-NWDGAFQWSA-N 0 0 198.354 2.857 10 30 AFEERN CC#C[C@H](O)c1ccc(C(F)F)cc1 306362246 572598274 /nfs/dbraw/zinc/59/82/74/572598274.db2.gz RWRBRCGEDBMJSD-JTQLQIEISA-N 0 0 196.196 2.681 10 30 AFEERN Cc1nsc(CC(C)C)c1C#N 74302995 572598759 /nfs/dbraw/zinc/59/87/59/572598759.db2.gz CRHXLLSLBMBVEP-UHFFFAOYSA-N 0 0 180.276 2.522 10 30 AFEERN C#CCCC[C@H](O)[C@@H]1CC[C@H]2C[C@H]2C1 403330538 572598803 /nfs/dbraw/zinc/59/88/03/572598803.db2.gz QJOAJPIHTCXPOG-RNJOBUHISA-N 0 0 192.302 2.587 10 30 AFEERN Cc1cccc(C2=CCCC2=O)c1 196518328 572598907 /nfs/dbraw/zinc/59/89/07/572598907.db2.gz OGKDDGSTJVIBCX-UHFFFAOYSA-N 0 0 172.227 2.741 10 30 AFEERN C#CCCC[C@H](O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403330536 572599221 /nfs/dbraw/zinc/59/92/21/572599221.db2.gz QJOAJPIHTCXPOG-LPWJVIDDSA-N 0 0 192.302 2.587 10 30 AFEERN C=C(Cl)Cn1cc(C)c(C)c1 306377893 572599224 /nfs/dbraw/zinc/59/92/24/572599224.db2.gz MRRXGMKOPCQLNR-UHFFFAOYSA-N 0 0 169.655 2.857 10 30 AFEERN C=C1[C@@H](O)CCCCC[C@H]1C 306303641 572601820 /nfs/dbraw/zinc/60/18/20/572601820.db2.gz BFWRKDFTQSEUDO-SCZZXKLOSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(CC)CNc1ccc(N)cc1F 306378292 572599690 /nfs/dbraw/zinc/59/96/90/572599690.db2.gz OTACDLFNDVARRA-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN C=CCc1ccc(CC=C)c(O)c1 115013299 572599790 /nfs/dbraw/zinc/59/97/90/572599790.db2.gz NYPRQZHSZMIEQY-UHFFFAOYSA-N 0 0 174.243 2.849 10 30 AFEERN C#Cc1ccc2c(O)cccc2c1 196516634 572600100 /nfs/dbraw/zinc/60/01/00/572600100.db2.gz RWNXSSUFRONERY-UHFFFAOYSA-N 0 0 168.195 2.527 10 30 AFEERN C=C1C[C@@H]1CC[C@@H]1CCC[C@H]1O 306362307 572600322 /nfs/dbraw/zinc/60/03/22/572600322.db2.gz SCRUZOAUJIBBAF-GARJFASQSA-N 0 0 166.264 2.504 10 30 AFEERN C=C[C@H](C)N(C)c1cccc(OC)c1 196504422 572600455 /nfs/dbraw/zinc/60/04/55/572600455.db2.gz PCSLDPDZHHEDHT-JTQLQIEISA-N 0 0 191.274 2.706 10 30 AFEERN C#CC[C@@]1(O)CCCCC12CCCC2 306345232 572600555 /nfs/dbraw/zinc/60/05/55/572600555.db2.gz DLVCTIJJAKNCMK-CYBMUJFWSA-N 0 0 192.302 2.875 10 30 AFEERN C#CCCSCc1cnc(C)s1 308071188 572600626 /nfs/dbraw/zinc/60/06/26/572600626.db2.gz AXSNXFMAGNUKIH-UHFFFAOYSA-N 0 0 197.328 2.708 10 30 AFEERN CC[C@H]1C[C@@H]1C(=O)C#Cc1ccccc1 306350301 572600761 /nfs/dbraw/zinc/60/07/61/572600761.db2.gz LVLGRPIALOESGA-STQMWFEESA-N 0 0 198.265 2.653 10 30 AFEERN C#CC[C@]1(CC=C)C=C[C@@H](C)C[C@H]1O 306329370 572600950 /nfs/dbraw/zinc/60/09/50/572600950.db2.gz ZEJWWIHREHPKQX-UPJWGTAASA-N 0 0 190.286 2.529 10 30 AFEERN N#Cc1ccc(O)cc1-c1ccccc1 115068936 572601222 /nfs/dbraw/zinc/60/12/22/572601222.db2.gz FNSQIRLVVRHPDN-UHFFFAOYSA-N 0 0 195.221 2.931 10 30 AFEERN C=C(C)[C@@]1(O)C[C@H](C)c2ccccc21 306397320 572601351 /nfs/dbraw/zinc/60/13/51/572601351.db2.gz VVNXDLPWMFUJHC-GWCFXTLKSA-N 0 0 188.270 2.958 10 30 AFEERN C=CC[C@@]1(CC)CCCC1=O 196512288 572601427 /nfs/dbraw/zinc/60/14/27/572601427.db2.gz JZEGZTCTYHIGGN-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@]1(C)CC[C@@H](C(C)C)[C@H](O)C1 307526871 572601469 /nfs/dbraw/zinc/60/14/69/572601469.db2.gz JOSNYFUXOPVDDZ-QJPTWQEYSA-N 0 0 182.307 2.996 10 30 AFEERN C#CC[C@](O)(CC)c1cccc(C)c1 306358342 572602069 /nfs/dbraw/zinc/60/20/69/572602069.db2.gz ZVXZNQUNKBVJMN-CYBMUJFWSA-N 0 0 188.270 2.616 10 30 AFEERN C=C[C@H](C)Nc1cc(F)c(F)cc1N 306300680 572602218 /nfs/dbraw/zinc/60/22/18/572602218.db2.gz LTFOAKDUIMPJIN-LURJTMIESA-N 0 0 198.216 2.533 10 30 AFEERN C=C[C@@H]1[C@H](C(=C)C)CC[C@@H](C)[C@H]1O 306366309 572602246 /nfs/dbraw/zinc/60/22/46/572602246.db2.gz GUIVCPKDQMPMHS-WISYIIOYSA-N 0 0 180.291 2.772 10 30 AFEERN CC[C@H](C)C#C[C@@H](C)[C@@H](O)C(C)C 306396077 572602541 /nfs/dbraw/zinc/60/25/41/572602541.db2.gz HEAPOEDFBJXCHS-TUAOUCFPSA-N 0 0 182.307 2.689 10 30 AFEERN CC#C[C@H](O)C1(C)CCCCCC1 307560807 572602707 /nfs/dbraw/zinc/60/27/07/572602707.db2.gz IKISFCMDASIOIP-NSHDSACASA-N 0 0 180.291 2.731 10 30 AFEERN COC(C)(C)CC(=O)C1=CCCCC1 234568349 572602942 /nfs/dbraw/zinc/60/29/42/572602942.db2.gz QWUYYTKXYPFWJB-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN C=C[C@@H](C)Sc1nc(C)c(C)[nH]1 306352657 572603440 /nfs/dbraw/zinc/60/34/40/572603440.db2.gz FLVVZGYLCIKJAK-ZCFIWIBFSA-N 0 0 182.292 2.693 10 30 AFEERN C=CC(=O)c1ccnc2ccccc12 140727580 572603561 /nfs/dbraw/zinc/60/35/61/572603561.db2.gz FSGUTULDGUIBEY-UHFFFAOYSA-N 0 0 183.210 2.604 10 30 AFEERN C=CC[C@@H]1CCCC[C@H]2C[C@H]2C1=O 306377938 572603653 /nfs/dbraw/zinc/60/36/53/572603653.db2.gz NNWWUGCBKKUVCX-OUAUKWLOSA-N 0 0 178.275 2.958 10 30 AFEERN C#CCCCCCSC 115040070 572603787 /nfs/dbraw/zinc/60/37/87/572603787.db2.gz PLQRLTCBAUJIIS-UHFFFAOYSA-N 0 0 142.267 2.543 10 30 AFEERN C=C(C)[C@@]1(O)C[C@@H](C)c2ccccc21 306397322 572604016 /nfs/dbraw/zinc/60/40/16/572604016.db2.gz VVNXDLPWMFUJHC-MFKMUULPSA-N 0 0 188.270 2.958 10 30 AFEERN CCSCC#Cc1ccccc1 306321440 572604455 /nfs/dbraw/zinc/60/44/55/572604455.db2.gz BWWNFVSMAKSTRU-UHFFFAOYSA-N 0 0 176.284 2.791 10 30 AFEERN Fc1ccc(C#C/C=C/Cl)cc1 306324313 572604527 /nfs/dbraw/zinc/60/45/27/572604527.db2.gz QBBTUMQOOFUJMQ-KRXBUXKQSA-N 0 0 180.609 2.930 10 30 AFEERN C=C[C@H]1[C@@H](O)[C@@H](C)CC[C@H]1C(=C)C 306366295 572604541 /nfs/dbraw/zinc/60/45/41/572604541.db2.gz GUIVCPKDQMPMHS-USZNOCQGSA-N 0 0 180.291 2.772 10 30 AFEERN C=C[C@@H](O)c1ccsc1Cl 306382428 572604690 /nfs/dbraw/zinc/60/46/90/572604690.db2.gz UIAYDFDRCOWBOP-ZCFIWIBFSA-N 0 0 174.652 2.621 10 30 AFEERN C=C[C@H](C=C(C)C)[C@@H](O)C(C)C 308076598 572604917 /nfs/dbraw/zinc/60/49/17/572604917.db2.gz DNCCXLADPJKABH-MNOVXSKESA-N 0 0 168.280 2.772 10 30 AFEERN C=C(C(F)(F)F)[C@@]1(O)C=CCCC1 306348845 572605039 /nfs/dbraw/zinc/60/50/39/572605039.db2.gz UKHLQQMHOAEGRJ-MRVPVSSYSA-N 0 0 192.180 2.576 10 30 AFEERN C=CC[C@]1(CC)CCCC1=O 196512298 572605082 /nfs/dbraw/zinc/60/50/82/572605082.db2.gz JZEGZTCTYHIGGN-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@H](C)[C@@H](O)/C=C\c1ccccc1 379482368 572605255 /nfs/dbraw/zinc/60/52/55/572605255.db2.gz BMMIGKFGBQCORF-OLSPVFQASA-N 0 0 188.270 2.883 10 30 AFEERN C[C@@H]1CCCC1=NOCC1CC1 308072070 572605371 /nfs/dbraw/zinc/60/53/71/572605371.db2.gz CKDGGMVWVKNGDX-MRVPVSSYSA-N 0 0 167.252 2.589 10 30 AFEERN C=CC[C@H]1[C@H](O)[C@]2(C)CC[C@H]1C2(C)C 306363800 572605784 /nfs/dbraw/zinc/60/57/84/572605784.db2.gz ZGVSDUGKNYJJCP-DCQANWLSSA-N 0 0 194.318 2.996 10 30 AFEERN CC[C@H](C)C#C[C@H](C)[C@@H](O)C(C)C 306396073 572605939 /nfs/dbraw/zinc/60/59/39/572605939.db2.gz HEAPOEDFBJXCHS-SRVKXCTJSA-N 0 0 182.307 2.689 10 30 AFEERN C#CCN1CCCCc2sccc21 306371160 572606095 /nfs/dbraw/zinc/60/60/95/572606095.db2.gz CJESIEFXVZWFAJ-UHFFFAOYSA-N 0 0 191.299 2.524 10 30 AFEERN C=C[C@@H](C=C(C)C)[C@@H](O)C(C)C 308076600 572606193 /nfs/dbraw/zinc/60/61/93/572606193.db2.gz DNCCXLADPJKABH-QWRGUYRKSA-N 0 0 168.280 2.772 10 30 AFEERN C=CCn1c(C)cc(N=O)c1C 306343554 572606395 /nfs/dbraw/zinc/60/63/95/572606395.db2.gz NCMGBGZMCGBLMH-UHFFFAOYSA-N 0 0 164.208 2.689 10 30 AFEERN C[C@H]1CCCC1=NOCC1CC1 308072071 572606487 /nfs/dbraw/zinc/60/64/87/572606487.db2.gz CKDGGMVWVKNGDX-QMMMGPOBSA-N 0 0 167.252 2.589 10 30 AFEERN C=C1C[C@@H]1CC[C@H]1CCC[C@H]1O 306362308 572606845 /nfs/dbraw/zinc/60/68/45/572606845.db2.gz SCRUZOAUJIBBAF-OUAUKWLOSA-N 0 0 166.264 2.504 10 30 AFEERN C=CC1C(C)(C)C1(C)C 196658067 572607282 /nfs/dbraw/zinc/60/72/82/572607282.db2.gz SRGGYROCXDXRDS-UHFFFAOYSA-N 0 0 124.227 2.855 10 30 AFEERN C#C[C@H]1C[C@@H]1C1CCCCC1 140772144 572607526 /nfs/dbraw/zinc/60/75/26/572607526.db2.gz GSNZDQGOAHZMJV-ONGXEEELSA-N 0 0 148.249 2.836 10 30 AFEERN CC#C[C@@H](O)c1ccc(C(F)F)cc1 306362247 572607544 /nfs/dbraw/zinc/60/75/44/572607544.db2.gz RWRBRCGEDBMJSD-SNVBAGLBSA-N 0 0 196.196 2.681 10 30 AFEERN C=CC[C@@H]1CCCC[C@@H]1OC 306310130 572607556 /nfs/dbraw/zinc/60/75/56/572607556.db2.gz ZHMYQRAZRXHRBI-ZJUUUORDSA-N 0 0 154.253 2.768 10 30 AFEERN C=C[C@@H]1CC[C@H]2CCC(=O)C[C@]12C 306353716 572607563 /nfs/dbraw/zinc/60/75/63/572607563.db2.gz PVOMRSIFWQJGMZ-JFGNBEQYSA-N 0 0 178.275 2.958 10 30 AFEERN C#CCNc1ccc(CC(C)C)cc1 306343705 572607632 /nfs/dbraw/zinc/60/76/32/572607632.db2.gz BUWHRYRPNAJTHJ-UHFFFAOYSA-N 0 0 187.286 2.930 10 30 AFEERN C=C[C@@H]1CC[C@@H]2C(=C)C=CC(=O)[C@H]12 140719242 572607639 /nfs/dbraw/zinc/60/76/39/572607639.db2.gz FXFIZOLXGKKRPP-CKYFFXLPSA-N 0 0 174.243 2.510 10 30 AFEERN CCCCC#C/C=C\Cl 140770194 572607699 /nfs/dbraw/zinc/60/76/99/572607699.db2.gz AQNMFJNURQWNGG-FPLPWBNLSA-N 0 0 142.629 2.933 10 30 AFEERN CC[C@@H]1CCC1=NOCC1CC1 308073423 572607773 /nfs/dbraw/zinc/60/77/73/572607773.db2.gz DCFQMNUNUODJRE-SECBINFHSA-N 0 0 167.252 2.589 10 30 AFEERN C=C1C[C@@H]2CC[C@H](C1)S2 403681393 572607803 /nfs/dbraw/zinc/60/78/03/572607803.db2.gz IKNLDAIYLLHLDJ-OCAPTIKFSA-N 0 0 140.251 2.601 10 30 AFEERN C=C(CC)CNc1ccnc(Cl)n1 307533495 572609987 /nfs/dbraw/zinc/60/99/87/572609987.db2.gz OTGROLJDYRPWQV-UHFFFAOYSA-N 0 0 197.669 2.508 10 30 AFEERN C=CC[C@H]1CCCC[C@H]1OC 306310129 572608052 /nfs/dbraw/zinc/60/80/52/572608052.db2.gz ZHMYQRAZRXHRBI-VHSXEESVSA-N 0 0 154.253 2.768 10 30 AFEERN C=C[C@@H](C)Sc1ccccn1 306375094 572608216 /nfs/dbraw/zinc/60/82/16/572608216.db2.gz LSGFMMXPNZRIJK-MRVPVSSYSA-N 0 0 165.261 2.748 10 30 AFEERN CC[C@H](C)C#C[C@@H](C)[C@H](O)C(C)C 306396066 572608546 /nfs/dbraw/zinc/60/85/46/572608546.db2.gz HEAPOEDFBJXCHS-QJPTWQEYSA-N 0 0 182.307 2.689 10 30 AFEERN CCC#C[C@@H](C)[NH2+][C@H](C)c1ccoc1 306336039 572608921 /nfs/dbraw/zinc/60/89/21/572608921.db2.gz GTQZJHNNTFRAKP-GHMZBOCLSA-N 0 0 191.274 2.732 10 30 AFEERN C=C(C)c1cc2cccnc2[nH]1 221484506 572608963 /nfs/dbraw/zinc/60/89/63/572608963.db2.gz VLSKJOHTHCBMST-UHFFFAOYSA-N 0 0 158.204 2.596 10 30 AFEERN C=C(CO)Sc1ccc(C)cc1 196660233 572609077 /nfs/dbraw/zinc/60/90/77/572609077.db2.gz NONQXZUMTZTPBK-UHFFFAOYSA-N 0 0 180.272 2.593 10 30 AFEERN CC[C@H]1CCC1=NOCC1CC1 308073426 572609199 /nfs/dbraw/zinc/60/91/99/572609199.db2.gz DCFQMNUNUODJRE-VIFPVBQESA-N 0 0 167.252 2.589 10 30 AFEERN CC(C)c1ccccc1C#CCCO 307522367 572609357 /nfs/dbraw/zinc/60/93/57/572609357.db2.gz YADPJLMETLQOSQ-UHFFFAOYSA-N 0 0 188.270 2.544 10 30 AFEERN C#C[C@@H]1C[C@@H]1C1CCCCC1 140771961 572609395 /nfs/dbraw/zinc/60/93/95/572609395.db2.gz GSNZDQGOAHZMJV-KOLCDFICSA-N 0 0 148.249 2.836 10 30 AFEERN C=C[C@@H](C=C(C)C)[C@H](O)C(C)C 308076602 572609803 /nfs/dbraw/zinc/60/98/03/572609803.db2.gz DNCCXLADPJKABH-WDEREUQCSA-N 0 0 168.280 2.772 10 30 AFEERN C=C1[C@H](C)CCCCC[C@H]1O 306303640 572609810 /nfs/dbraw/zinc/60/98/10/572609810.db2.gz BFWRKDFTQSEUDO-PSASIEDQSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)[C@@H]1CC=C(C)[C@@H](O)[C@H]1C 307513334 572609863 /nfs/dbraw/zinc/60/98/63/572609863.db2.gz QJRRDRPCIJBUJO-GARJFASQSA-N 0 0 166.264 2.526 10 30 AFEERN C=C[C@@H]1CC[C@H](CC)[C@H]1C(C)=O 306321745 572610110 /nfs/dbraw/zinc/61/01/10/572610110.db2.gz LKNVWUGEMUQCNF-VWYCJHECSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H](C)Sc1nc2c([nH]1)CCC2 307582520 572610156 /nfs/dbraw/zinc/61/01/56/572610156.db2.gz VJIRISITJPAJFT-ZETCQYMHSA-N 0 0 194.303 2.565 10 30 AFEERN C[C@@](O)(C#CC1=CCCC1)/C=C/Cl 306317655 572610224 /nfs/dbraw/zinc/61/02/24/572610224.db2.gz GMOKITZHRRNGAO-ANYFNZRUSA-N 0 0 196.677 2.604 10 30 AFEERN C=C1C[C@@H]1CC[C@H]1CCC[C@@H]1O 306362309 572610525 /nfs/dbraw/zinc/61/05/25/572610525.db2.gz SCRUZOAUJIBBAF-VWYCJHECSA-N 0 0 166.264 2.504 10 30 AFEERN C=C(CC)CNc1cc(F)ccc1N 306340329 572610890 /nfs/dbraw/zinc/61/08/90/572610890.db2.gz YORQIMYLORUQCP-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN C=C[C@@H]1[C@@H](C(C)C)CC[C@]1(C)CO 306356420 572610969 /nfs/dbraw/zinc/61/09/69/572610969.db2.gz KJZIIGAMTXMCLA-IJLUTSLNSA-N 0 0 182.307 2.853 10 30 AFEERN CC(C)(C)c1ccc(F)c(C#N)c1 115244380 572610996 /nfs/dbraw/zinc/61/09/96/572610996.db2.gz OPHNUYGIUZTGSH-UHFFFAOYSA-N 0 0 177.222 2.995 10 30 AFEERN C=C(C)C[C@@H](NN)[C@H](CC)CC(C)C 308073976 572611144 /nfs/dbraw/zinc/61/11/44/572611144.db2.gz TXUBITMKLCLLDF-VXGBXAGGSA-N 0 0 198.354 2.857 10 30 AFEERN C=C(C)C[C@H](NN)[C@H](CC)CC(C)C 308073971 572611149 /nfs/dbraw/zinc/61/11/49/572611149.db2.gz TXUBITMKLCLLDF-NEPJUHHUSA-N 0 0 198.354 2.857 10 30 AFEERN C#CC[C@]1(CC=C)C=C[C@H](C)C[C@H]1O 306329371 572611182 /nfs/dbraw/zinc/61/11/82/572611182.db2.gz ZEJWWIHREHPKQX-XQQFMLRXSA-N 0 0 190.286 2.529 10 30 AFEERN C=C(C)C[C@@H](NN)[C@@H](CC)CC(C)C 308073972 572611423 /nfs/dbraw/zinc/61/14/23/572611423.db2.gz TXUBITMKLCLLDF-NWDGAFQWSA-N 0 0 198.354 2.857 10 30 AFEERN C=C(C)C[C@H](NN)[C@@H](CC)CC(C)C 308073974 572611459 /nfs/dbraw/zinc/61/14/59/572611459.db2.gz TXUBITMKLCLLDF-RYUDHWBXSA-N 0 0 198.354 2.857 10 30 AFEERN C=C[C@H](C)OC(=O)C(C)(C)CC 115242757 572611981 /nfs/dbraw/zinc/61/19/81/572611981.db2.gz RCHISAJEKXBAPZ-QMMMGPOBSA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@@H]1CC[C@@H](/C=C/CCO)C1 308075084 572611983 /nfs/dbraw/zinc/61/19/83/572611983.db2.gz DBJJVMQOUQRILH-UQRCUPDISA-N 0 0 166.264 2.527 10 30 AFEERN CC(=O)C[C@H](C)c1ccncc1 306361826 572612207 /nfs/dbraw/zinc/61/22/07/572612207.db2.gz QITJCKNJDBDIKS-QMMMGPOBSA-N 0 0 163.220 2.647 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)C=CCCC1 306348846 572612398 /nfs/dbraw/zinc/61/23/98/572612398.db2.gz UKHLQQMHOAEGRJ-QMMMGPOBSA-N 0 0 192.180 2.576 10 30 AFEERN C=C[C@@H]1CC[C@@H](/C=C\CCO)C1 308075085 572612519 /nfs/dbraw/zinc/61/25/19/572612519.db2.gz DBJJVMQOUQRILH-VRJVPJCWSA-N 0 0 166.264 2.527 10 30 AFEERN C=C[C@@H](C)OC(=O)C(C)(C)CC 115242759 572612577 /nfs/dbraw/zinc/61/25/77/572612577.db2.gz RCHISAJEKXBAPZ-MRVPVSSYSA-N 0 0 170.252 2.540 10 30 AFEERN C[C@H]1C(=O)CC(C)(C)CC[C@H]1C#N 140851779 572612649 /nfs/dbraw/zinc/61/26/49/572612649.db2.gz GYXGRXUKWDLUJW-BDAKNGLRSA-N 0 0 179.263 2.541 10 30 AFEERN C=CCC[C@@H](NN)[C@H](CC)CC(C)C 308075432 572613331 /nfs/dbraw/zinc/61/33/31/572613331.db2.gz UZLFPQJCKKHMPO-VXGBXAGGSA-N 0 0 198.354 2.857 10 30 AFEERN C=CCC[C@H](NN)[C@@H](CC)CC(C)C 308075430 572613307 /nfs/dbraw/zinc/61/33/07/572613307.db2.gz UZLFPQJCKKHMPO-RYUDHWBXSA-N 0 0 198.354 2.857 10 30 AFEERN C=C(C)N(C)c1ccc(F)cc1 306306475 572613430 /nfs/dbraw/zinc/61/34/30/572613430.db2.gz MJTIYAMKCUSMST-UHFFFAOYSA-N 0 0 165.211 2.796 10 30 AFEERN C#Cc1ccc(CSC)cc1 306345144 572613466 /nfs/dbraw/zinc/61/34/66/572613466.db2.gz DBICJBPIANATOW-UHFFFAOYSA-N 0 0 162.257 2.531 10 30 AFEERN C=C[C@@H]1[C@H](C(=C)C)CC[C@H](C)[C@H]1O 306366297 572613477 /nfs/dbraw/zinc/61/34/77/572613477.db2.gz GUIVCPKDQMPMHS-WHOHXGKFSA-N 0 0 180.291 2.772 10 30 AFEERN C/C=C\CCC(C)(C)C=O 115280740 572615035 /nfs/dbraw/zinc/61/50/35/572615035.db2.gz KGOQHCDPEGGLAR-PLNGDYQASA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@]1([C@@H](C)O)C[C@@H]1c1ccccc1 306343964 572614084 /nfs/dbraw/zinc/61/40/84/572614084.db2.gz MILPJWOUDZJHQO-RAIGVLPGSA-N 0 0 188.270 2.727 10 30 AFEERN C=C1CC[C@H]2CCCCC[C@@]12CO 306394772 572614030 /nfs/dbraw/zinc/61/40/30/572614030.db2.gz GPKPQWUFGCKDMO-VXGBXAGGSA-N 0 0 180.291 2.895 10 30 AFEERN C=C(C)C[C@@H](O)c1ccc(C)c(C)n1 306324670 572614098 /nfs/dbraw/zinc/61/40/98/572614098.db2.gz QXALTHNKKITETN-GFCCVEGCSA-N 0 0 191.274 2.698 10 30 AFEERN CC#C[C@@H](O)C1(C)CCCCCC1 307560806 572614149 /nfs/dbraw/zinc/61/41/49/572614149.db2.gz IKISFCMDASIOIP-LLVKDONJSA-N 0 0 180.291 2.731 10 30 AFEERN C=C(C(F)(F)F)[C@](C)(O)CC(C)C 393537460 572614172 /nfs/dbraw/zinc/61/41/72/572614172.db2.gz JTOPPAFKYIIRDE-MRVPVSSYSA-N 0 0 196.212 2.902 10 30 AFEERN C=CC[C@](O)(CC)C1CCC1 307576001 572614238 /nfs/dbraw/zinc/61/42/38/572614238.db2.gz ACYZATXUURDBBK-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@@H]1[C@H](C(C)C)CC[C@]1(C)CO 306356421 572614247 /nfs/dbraw/zinc/61/42/47/572614247.db2.gz KJZIIGAMTXMCLA-QJPTWQEYSA-N 0 0 182.307 2.853 10 30 AFEERN C=CCC[C@@H](NN)[C@@H](CC)CC(C)C 308075427 572614498 /nfs/dbraw/zinc/61/44/98/572614498.db2.gz UZLFPQJCKKHMPO-NWDGAFQWSA-N 0 0 198.354 2.857 10 30 AFEERN C=CC[C@H](O)[C@@H]1CC2CCC1CC2 307568498 572614717 /nfs/dbraw/zinc/61/47/17/572614717.db2.gz VWDOWIOSSJCCRM-HCWSGVFWSA-N 0 0 180.291 2.750 10 30 AFEERN C#CCNc1cc(CC)ccc1CC 306356099 572614726 /nfs/dbraw/zinc/61/47/26/572614726.db2.gz JZFYJIZENZLXRJ-UHFFFAOYSA-N 0 0 187.286 2.857 10 30 AFEERN C=C[C@@H]1CC[C@H](/C=C/CCO)C1 308075086 572614888 /nfs/dbraw/zinc/61/48/88/572614888.db2.gz DBJJVMQOUQRILH-YYMQPOIQSA-N 0 0 166.264 2.527 10 30 AFEERN C=C[C@@H]1CC[C@H](/C=C\CCO)C1 308075090 572614991 /nfs/dbraw/zinc/61/49/91/572614991.db2.gz DBJJVMQOUQRILH-ZSZRGSJWSA-N 0 0 166.264 2.527 10 30 AFEERN C=CCC[C@H](NN)[C@H](CC)CC(C)C 308075426 572615171 /nfs/dbraw/zinc/61/51/71/572615171.db2.gz UZLFPQJCKKHMPO-NEPJUHHUSA-N 0 0 198.354 2.857 10 30 AFEERN C=C[C@H](C)Sc1nc(C)c(C)[nH]1 306352655 572615303 /nfs/dbraw/zinc/61/53/03/572615303.db2.gz FLVVZGYLCIKJAK-LURJTMIESA-N 0 0 182.292 2.693 10 30 AFEERN C=CCSC[C@@H](F)CC 306394650 572617496 /nfs/dbraw/zinc/61/74/96/572617496.db2.gz GBBMWNYRXGEXIG-ZETCQYMHSA-N 0 0 148.246 2.654 10 30 AFEERN C=CC(=C)[C@H](O)c1ccc(C)cc1 306345682 572615497 /nfs/dbraw/zinc/61/54/97/572615497.db2.gz DYKYAXCDJVJETC-LBPRGKRZSA-N 0 0 174.243 2.771 10 30 AFEERN C#CCOc1c(C)cccc1Cl 306373393 572615581 /nfs/dbraw/zinc/61/55/81/572615581.db2.gz JEONUSJSIXXHQB-UHFFFAOYSA-N 0 0 180.634 2.660 10 30 AFEERN C=CCSc1c(C)cccc1N 306324457 572617499 /nfs/dbraw/zinc/61/74/99/572617499.db2.gz PDXBRSPRAJRORA-UHFFFAOYSA-N 0 0 179.288 2.855 10 30 AFEERN C=CCCC1=CSC2=NC[C@H](C)N12 306306955 572615604 /nfs/dbraw/zinc/61/56/04/572615604.db2.gz JMBRPVRVJRMNRJ-QMMMGPOBSA-N 0 0 194.303 2.601 10 30 AFEERN CC[C@H]1C[C@H]1C(=O)C#Cc1ccccc1 306350300 572615692 /nfs/dbraw/zinc/61/56/92/572615692.db2.gz LVLGRPIALOESGA-QWHCGFSZSA-N 0 0 198.265 2.653 10 30 AFEERN C=C(C)[C@]1(O)C[C@H](C)c2ccccc21 306397321 572615701 /nfs/dbraw/zinc/61/57/01/572615701.db2.gz VVNXDLPWMFUJHC-GXFFZTMASA-N 0 0 188.270 2.958 10 30 AFEERN C=C(C)[C@H]1C[C@H]2CC(=O)C[C@H](C2)C1 306366927 572615706 /nfs/dbraw/zinc/61/57/06/572615706.db2.gz BGHLBGAFNBPGJU-JGPRNRPPSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)C[C@H](O)c1ccc(C)c(C)n1 306324963 572615854 /nfs/dbraw/zinc/61/58/54/572615854.db2.gz QXALTHNKKITETN-LBPRGKRZSA-N 0 0 191.274 2.698 10 30 AFEERN C=CCCCC(=O)CC1(OC)CCC1 234575663 572616826 /nfs/dbraw/zinc/61/68/26/572616826.db2.gz PRXIAHSRLLMLLF-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN C=C[C@H]1C[C@H](C(=C)C)CC(=O)[C@H]1C 307567899 572617153 /nfs/dbraw/zinc/61/71/53/572617153.db2.gz RMKKSTKKOPUZKR-DCAQKATOSA-N 0 0 178.275 2.980 10 30 AFEERN C=CCSC[C@H](F)CC 306394649 572617338 /nfs/dbraw/zinc/61/73/38/572617338.db2.gz GBBMWNYRXGEXIG-SSDOTTSWSA-N 0 0 148.246 2.654 10 30 AFEERN C=C(C)[C@@H]1CC=C(C)[C@H](O)[C@@H]1C 307513343 572617450 /nfs/dbraw/zinc/61/74/50/572617450.db2.gz QJRRDRPCIJBUJO-VWYCJHECSA-N 0 0 166.264 2.526 10 30 AFEERN C=CC[C@@H]1CCCC[C@H]1OC 306310127 572617948 /nfs/dbraw/zinc/61/79/48/572617948.db2.gz ZHMYQRAZRXHRBI-NXEZZACHSA-N 0 0 154.253 2.768 10 30 AFEERN C#CCC[C@H](O)[C@H]1CCCC[C@@H]1C 307568264 572618018 /nfs/dbraw/zinc/61/80/18/572618018.db2.gz VOQDLHBNFDTDNL-SRVKXCTJSA-N 0 0 180.291 2.587 10 30 AFEERN C#C[C@@H](C(C)C)[C@@H](O)c1ccccc1 306310612 572618035 /nfs/dbraw/zinc/61/80/35/572618035.db2.gz MDSHMXWAGXFOOP-STQMWFEESA-N 0 0 188.270 2.625 10 30 AFEERN C=CCSc1cccc(F)c1N 306383850 572618246 /nfs/dbraw/zinc/61/82/46/572618246.db2.gz AVMAZKURYDMSFA-UHFFFAOYSA-N 0 0 183.251 2.686 10 30 AFEERN C=C[C@]12CCC[C@H](O)[C@@H]1CCC2 306363694 572618304 /nfs/dbraw/zinc/61/83/04/572618304.db2.gz ZEBHOTBHCFNPHN-DCAQKATOSA-N 0 0 166.264 2.504 10 30 AFEERN C=CC[C@@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C 306363802 572618442 /nfs/dbraw/zinc/61/84/42/572618442.db2.gz ZGVSDUGKNYJJCP-UZWSLXQKSA-N 0 0 194.318 2.996 10 30 AFEERN COC(C)(C)CCC(=O)C1=CCCC1 234579318 572618474 /nfs/dbraw/zinc/61/84/74/572618474.db2.gz NKCOLKZKMXGFHE-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN C=CC[C@@H]1CC(C)(C)[C@H]2C[C@H]2C1=O 306375160 572618675 /nfs/dbraw/zinc/61/86/75/572618675.db2.gz LKWYHOBWAIGFSA-BBBLOLIVSA-N 0 0 178.275 2.814 10 30 AFEERN Cc1ccc(N[C@H](C)C#N)c(Cl)c1 47826278 572619026 /nfs/dbraw/zinc/61/90/26/572619026.db2.gz OQPWHUMSKQSORH-MRVPVSSYSA-N 0 0 194.665 2.972 10 30 AFEERN CCc1ccccc1N[C@H](C)C#N 47826386 572619422 /nfs/dbraw/zinc/61/94/22/572619422.db2.gz XNTBECXKAJQCPA-SECBINFHSA-N 0 0 174.247 2.573 10 30 AFEERN C=CC[C@@H]1CCCC[C@@H]2C[C@H]2C1=O 306377937 572618813 /nfs/dbraw/zinc/61/88/13/572618813.db2.gz NNWWUGCBKKUVCX-GMTAPVOTSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCC1=CSC2=NC[C@@H](C)N12 306306952 572619145 /nfs/dbraw/zinc/61/91/45/572619145.db2.gz JMBRPVRVJRMNRJ-MRVPVSSYSA-N 0 0 194.303 2.601 10 30 AFEERN C=C(C)CCC(=O)CC1(OC)CCC1 234575302 572619146 /nfs/dbraw/zinc/61/91/46/572619146.db2.gz YMYQDWPMRPCWRC-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN C=C[C@@]1(C)[C@H](C)C(=O)CC[C@H]1C 306307745 572619189 /nfs/dbraw/zinc/61/91/89/572619189.db2.gz FVNDVVFSTDHOBQ-FXPVBKGRSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)/C=C/c1ccccc1N 306316603 572619193 /nfs/dbraw/zinc/61/91/93/572619193.db2.gz CUFYVUDEYFIJJY-BQYQJAHWSA-N 0 0 159.232 2.858 10 30 AFEERN C#CCSCc1c(F)cccc1F 306361523 572619333 /nfs/dbraw/zinc/61/93/33/572619333.db2.gz PQBOHMISJRQHCR-UHFFFAOYSA-N 0 0 198.237 2.831 10 30 AFEERN C=C[C@H]1CC2(CCCCC2)[C@@H]1O 196644466 572619340 /nfs/dbraw/zinc/61/93/40/572619340.db2.gz GKTKRYAHZJFPNS-VHSXEESVSA-N 0 0 166.264 2.504 10 30 AFEERN C=C(CC)CNc1nc(C)cs1 306312224 572619460 /nfs/dbraw/zinc/61/94/60/572619460.db2.gz VZKOCQOCCZFUSC-UHFFFAOYSA-N 0 0 182.292 2.830 10 30 AFEERN CC[C@@H]1O[C@@H]1C[C@H](C)c1ccccn1 251716746 572619523 /nfs/dbraw/zinc/61/95/23/572619523.db2.gz RQLLVICQNQSIJC-ZMLRMANQSA-N 0 0 191.274 2.753 10 30 AFEERN CCCCCC/C=C/[C@@H](C)C(N)=O 308080097 572619558 /nfs/dbraw/zinc/61/95/58/572619558.db2.gz NDVKAMHLXVWRIZ-AAXQSMANSA-N 0 0 183.295 2.634 10 30 AFEERN Cc1ccc(N[C@@H](C)C#N)c(Cl)c1 47826276 572619569 /nfs/dbraw/zinc/61/95/69/572619569.db2.gz OQPWHUMSKQSORH-QMMMGPOBSA-N 0 0 194.665 2.972 10 30 AFEERN C=CC[C@H]1CCCC[C@@H]1OC 306310128 572619610 /nfs/dbraw/zinc/61/96/10/572619610.db2.gz ZHMYQRAZRXHRBI-UWVGGRQHSA-N 0 0 154.253 2.768 10 30 AFEERN CSc1ncccc1C(C)(C)C#N 214701085 572619941 /nfs/dbraw/zinc/61/99/41/572619941.db2.gz DZFOHFMXSZDJKH-UHFFFAOYSA-N 0 0 192.287 2.605 10 30 AFEERN C=C(C)[C@@H](CC)[C@H](O)C(C)C 196641562 572620072 /nfs/dbraw/zinc/62/00/72/572620072.db2.gz ZMVOYPIHQSMEDJ-NXEZZACHSA-N 0 0 156.269 2.606 10 30 AFEERN Nc1ccccc1N=Cc1ccco1 255992697 572620120 /nfs/dbraw/zinc/62/01/20/572620120.db2.gz OOMNWULKFVHYMZ-UHFFFAOYSA-N 0 0 186.214 2.612 10 30 AFEERN C=C1C(=O)[C@@H](C)C12CCCCC2 196651330 572620152 /nfs/dbraw/zinc/62/01/52/572620152.db2.gz HQXFPPXWPVEHCH-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1C(=O)[C@H](C)C12CCCCC2 196651338 572620285 /nfs/dbraw/zinc/62/02/85/572620285.db2.gz HQXFPPXWPVEHCH-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc(Cl)cc1N[C@H](C)C#N 47826371 572620497 /nfs/dbraw/zinc/62/04/97/572620497.db2.gz YHSQUFPNGNBVQT-MRVPVSSYSA-N 0 0 194.665 2.972 10 30 AFEERN C=CCC(C)(C)C(=O)OCCC 308080045 572620612 /nfs/dbraw/zinc/62/06/12/572620612.db2.gz IFGNGSMHQPNBKO-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN CCCCCC/C=C/[C@H](C)C(N)=O 308080098 572620677 /nfs/dbraw/zinc/62/06/77/572620677.db2.gz NDVKAMHLXVWRIZ-DDXVTDLHSA-N 0 0 183.295 2.634 10 30 AFEERN CC1(C)C[C@H]1C(=O)C#Cc1ccccc1 306368268 572620685 /nfs/dbraw/zinc/62/06/85/572620685.db2.gz DSKQRVDKTKRVKN-LBPRGKRZSA-N 0 0 198.265 2.653 10 30 AFEERN C=C[C@@H]1CC2(CCCCC2)[C@@H]1O 196644452 572620694 /nfs/dbraw/zinc/62/06/94/572620694.db2.gz GKTKRYAHZJFPNS-NXEZZACHSA-N 0 0 166.264 2.504 10 30 AFEERN C=C(Cl)CN[C@@H]1CCCC1(F)F 307573997 572620704 /nfs/dbraw/zinc/62/07/04/572620704.db2.gz GYXYHDNDASDDIZ-SSDOTTSWSA-N 0 0 195.640 2.516 10 30 AFEERN Cc1ccc(Cl)cc1N[C@@H](C)C#N 47826368 572620994 /nfs/dbraw/zinc/62/09/94/572620994.db2.gz YHSQUFPNGNBVQT-QMMMGPOBSA-N 0 0 194.665 2.972 10 30 AFEERN C#CCCCC(=O)C1=CCCCC1 236399071 572621003 /nfs/dbraw/zinc/62/10/03/572621003.db2.gz OZEUYPMMNRTIHG-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN C[C@H]1CC(=C2CCCCC2)C1=O 196651319 572621017 /nfs/dbraw/zinc/62/10/17/572621017.db2.gz CVDMOOOKIBMXFZ-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C=C(C)[C@H](C)[C@H](O)c1ccco1 196642455 572621083 /nfs/dbraw/zinc/62/10/83/572621083.db2.gz MRMFUDWHJVYBIU-WPRPVWTQSA-N 0 0 166.220 2.525 10 30 AFEERN C=C(C)[C@H](C)[C@@H](O)c1ccco1 196642472 572621132 /nfs/dbraw/zinc/62/11/32/572621132.db2.gz MRMFUDWHJVYBIU-WCBMZHEXSA-N 0 0 166.220 2.525 10 30 AFEERN C=C1CC[C@@H]2CCCCC[C@]12CO 306394771 572621223 /nfs/dbraw/zinc/62/12/23/572621223.db2.gz GPKPQWUFGCKDMO-RYUDHWBXSA-N 0 0 180.291 2.895 10 30 AFEERN C=C1[C@@H](C)CCCCC[C@@H]1O 306303645 572621282 /nfs/dbraw/zinc/62/12/82/572621282.db2.gz BFWRKDFTQSEUDO-WPRPVWTQSA-N 0 0 154.253 2.504 10 30 AFEERN CCc1ccccc1N[C@@H](C)C#N 47826385 572621353 /nfs/dbraw/zinc/62/13/53/572621353.db2.gz XNTBECXKAJQCPA-VIFPVBQESA-N 0 0 174.247 2.573 10 30 AFEERN C=C[C@@H]1CC[C@@H]2CCC(=O)C[C@]12C 306353714 572621375 /nfs/dbraw/zinc/62/13/75/572621375.db2.gz PVOMRSIFWQJGMZ-CKYFFXLPSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@H]1CC2(CCCCC2)[C@H]1O 196644479 572621467 /nfs/dbraw/zinc/62/14/67/572621467.db2.gz GKTKRYAHZJFPNS-UWVGGRQHSA-N 0 0 166.264 2.504 10 30 AFEERN C=C(C)[C@H](CC)[C@H](O)C(C)C 196641570 572621671 /nfs/dbraw/zinc/62/16/71/572621671.db2.gz ZMVOYPIHQSMEDJ-VHSXEESVSA-N 0 0 156.269 2.606 10 30 AFEERN C=C(C)[C@@H](C)[C@@H](O)c1ccco1 196642463 572621679 /nfs/dbraw/zinc/62/16/79/572621679.db2.gz MRMFUDWHJVYBIU-PSASIEDQSA-N 0 0 166.220 2.525 10 30 AFEERN C/N=C\c1ccc2cccc(C)c2n1 255989076 572622276 /nfs/dbraw/zinc/62/22/76/572622276.db2.gz MZDXJTWPZZNMKX-JYRVWZFOSA-N 0 0 184.242 2.592 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@H](NC(C)=O)C1 306366137 572621824 /nfs/dbraw/zinc/62/18/24/572621824.db2.gz CXEJOKSPSRYVFT-YUSALJHKSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)[C@H](CC)[C@@H](O)C(C)C 196641585 572621909 /nfs/dbraw/zinc/62/19/09/572621909.db2.gz ZMVOYPIHQSMEDJ-UWVGGRQHSA-N 0 0 156.269 2.606 10 30 AFEERN CCN=Nc1nc2ccccc2s1 255997747 572621956 /nfs/dbraw/zinc/62/19/56/572621956.db2.gz QSKHQTIJTLKLOH-UHFFFAOYSA-N 0 0 191.259 2.714 10 30 AFEERN C[C@@H]1CC(=C2CCCCC2)C1=O 196651308 572622111 /nfs/dbraw/zinc/62/21/11/572622111.db2.gz CVDMOOOKIBMXFZ-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN CC[C@H](C)C#C[C@H](C)[C@H](O)C(C)C 306396071 572622302 /nfs/dbraw/zinc/62/23/02/572622302.db2.gz HEAPOEDFBJXCHS-SDDRHHMPSA-N 0 0 182.307 2.689 10 30 AFEERN N#Cc1cc2cccc(Cl)c2o1 83272755 572622370 /nfs/dbraw/zinc/62/23/70/572622370.db2.gz YCFNZQZZJMFTRE-UHFFFAOYSA-N 0 0 177.590 2.958 10 30 AFEERN C[C@@H](C#N)Oc1ccc(F)cc1Cl 47873927 572622954 /nfs/dbraw/zinc/62/29/54/572622954.db2.gz QLBAMXXWWBJUJX-LURJTMIESA-N 0 0 199.612 2.770 10 30 AFEERN C=C[C@H](O)c1ccsc1Cl 306382427 572622842 /nfs/dbraw/zinc/62/28/42/572622842.db2.gz UIAYDFDRCOWBOP-LURJTMIESA-N 0 0 174.652 2.621 10 30 AFEERN CCn1cc2ccccc2c1C#N 74311029 572623135 /nfs/dbraw/zinc/62/31/35/572623135.db2.gz WQQNYOLTVHYKJN-UHFFFAOYSA-N 0 0 170.215 2.533 10 30 AFEERN C=C(C)[C@H](C)[C@@H](O)[C@@H](C)CC 307664293 572623351 /nfs/dbraw/zinc/62/33/51/572623351.db2.gz YTQSPZRFRFADGG-GUBZILKMSA-N 0 0 156.269 2.606 10 30 AFEERN C=C(F)[C@@H](c1ccccc1)[C@@H](C)O 306302469 572623416 /nfs/dbraw/zinc/62/34/16/572623416.db2.gz ANSHIPQHSORKCA-MWLCHTKSSA-N 0 0 180.222 2.634 10 30 AFEERN CCCC/C=C/CCCC#CCO 204870678 572623663 /nfs/dbraw/zinc/62/36/63/572623663.db2.gz DHYMCNWJJJPYAK-AATRIKPKSA-N 0 0 180.291 2.899 10 30 AFEERN Cc1cc(C2CCC2)ncc1C#N 74310044 572623743 /nfs/dbraw/zinc/62/37/43/572623743.db2.gz FUAVPQDUMQAWIW-UHFFFAOYSA-N 0 0 172.231 2.529 10 30 AFEERN N#Cc1c(C2CC2)oc2ccoc12 74309814 572623935 /nfs/dbraw/zinc/62/39/35/572623935.db2.gz UHIQYEXTCOYHCS-UHFFFAOYSA-N 0 0 173.171 2.775 10 30 AFEERN Cc1ccc(Cl)c(O[C@@H](C)C#N)c1 47873979 572624080 /nfs/dbraw/zinc/62/40/80/572624080.db2.gz KKMYDHBYUOPVMI-QMMMGPOBSA-N 0 0 195.649 2.939 10 30 AFEERN CCCC/C=C\CCCC#CCO 204870664 572624115 /nfs/dbraw/zinc/62/41/15/572624115.db2.gz DHYMCNWJJJPYAK-WAYWQWQTSA-N 0 0 180.291 2.899 10 30 AFEERN CCc1ccc(C#N)c2c1CCCC2=O 714113163 572624164 /nfs/dbraw/zinc/62/41/64/572624164.db2.gz OFDWYUSDWDLXPT-UHFFFAOYSA-N 0 0 199.253 2.640 10 30 AFEERN C=C1CC[C@H](O)[C@@H]2C[C@@H](C)CC[C@@H]12 306452969 572624265 /nfs/dbraw/zinc/62/42/65/572624265.db2.gz HTZTZXXJXXCKLJ-IXLVHKGHSA-N 0 0 180.291 2.750 10 30 AFEERN C#CCSCc1cccc(F)c1 306409335 572624281 /nfs/dbraw/zinc/62/42/81/572624281.db2.gz INWNYENLARUIEO-UHFFFAOYSA-N 0 0 180.247 2.692 10 30 AFEERN Cc1ccc(Cl)c(O[C@H](C)C#N)c1 47873980 572624447 /nfs/dbraw/zinc/62/44/47/572624447.db2.gz KKMYDHBYUOPVMI-MRVPVSSYSA-N 0 0 195.649 2.939 10 30 AFEERN C=CC[C@@](O)(CC)C(C)(C)C 307653245 572624478 /nfs/dbraw/zinc/62/44/78/572624478.db2.gz KYASOAXZSXNFLY-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN C=CC[C@H](O)CC1(C)CCC1 307694387 572624990 /nfs/dbraw/zinc/62/49/90/572624990.db2.gz WJGRJKLRDGOXBM-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN Cc1cc(Cl)ccc1O[C@@H](C)C#N 47873946 572624992 /nfs/dbraw/zinc/62/49/92/572624992.db2.gz KLILTUAAJXVBJE-QMMMGPOBSA-N 0 0 195.649 2.939 10 30 AFEERN C=C([C@H]1CCC[C@H](O)C1)[Si](C)(C)C 196840869 572625461 /nfs/dbraw/zinc/62/54/61/572625461.db2.gz QVPOKGDOSOJLDK-QWRGUYRKSA-N 0 0 198.382 2.971 10 30 AFEERN CCC#CCCCCC(C)=O 196842322 572625483 /nfs/dbraw/zinc/62/54/83/572625483.db2.gz JQUWBWWPRQEVPW-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN C[C@H](C#N)Oc1ccc(F)cc1Cl 47873928 572625484 /nfs/dbraw/zinc/62/54/84/572625484.db2.gz QLBAMXXWWBJUJX-ZCFIWIBFSA-N 0 0 199.612 2.770 10 30 AFEERN C=C([C@@H]1CCC[C@H](O)C1)[Si](C)(C)C 196840856 572625533 /nfs/dbraw/zinc/62/55/33/572625533.db2.gz QVPOKGDOSOJLDK-MNOVXSKESA-N 0 0 198.382 2.971 10 30 AFEERN C=CCCCC1=C(C)CC1=O 196844894 572625545 /nfs/dbraw/zinc/62/55/45/572625545.db2.gz TVZRIWVOMQJBCM-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CCCCC#CC[C@@H]1CCCC1=O 196842259 572625668 /nfs/dbraw/zinc/62/56/68/572625668.db2.gz IPFOYMBTBDTUOM-LLVKDONJSA-N 0 0 178.275 2.939 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)C[C@H](C)[C@H]1C 306426371 572625726 /nfs/dbraw/zinc/62/57/26/572625726.db2.gz IAQUJSVAMSJDFR-BBVRLYRLSA-N 0 0 194.196 2.512 10 30 AFEERN C[C@H](C#N)Oc1cccc(Cl)c1 47873897 572625735 /nfs/dbraw/zinc/62/57/35/572625735.db2.gz OEWPDZVHFDWAIH-SSDOTTSWSA-N 0 0 181.622 2.631 10 30 AFEERN C#C[C@H](/C=C/C)[C@@H]1CCCCC1=O 306497818 572625756 /nfs/dbraw/zinc/62/57/56/572625756.db2.gz SFNYHKAENHNRCI-JZAOELKXSA-N 0 0 176.259 2.571 10 30 AFEERN COC(C)(C)CCC(=O)C=C(C)C 234579749 572625816 /nfs/dbraw/zinc/62/58/16/572625816.db2.gz HEZLVULHUQNHMC-UHFFFAOYSA-N 0 0 184.279 2.727 10 30 AFEERN C=C(CC)[C@@]12CCC[C@H]1CC2=O 196844996 572625844 /nfs/dbraw/zinc/62/58/44/572625844.db2.gz TUAQZUVCUCEYNI-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(CC)[C@]12CCC[C@H]1CC2=O 196845009 572625912 /nfs/dbraw/zinc/62/59/12/572625912.db2.gz TUAQZUVCUCEYNI-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCSc1ccc(N)c(OC)c1 115636864 572625920 /nfs/dbraw/zinc/62/59/20/572625920.db2.gz DAFPEWPRRUZCNY-UHFFFAOYSA-N 0 0 195.287 2.556 10 30 AFEERN Cc1cc(Cl)ccc1O[C@H](C)C#N 47873947 572626052 /nfs/dbraw/zinc/62/60/52/572626052.db2.gz KLILTUAAJXVBJE-MRVPVSSYSA-N 0 0 195.649 2.939 10 30 AFEERN C#CC(C)(C)Nc1ccc(C)cc1 196844591 572626124 /nfs/dbraw/zinc/62/61/24/572626124.db2.gz MXPNWJITJKKJGU-UHFFFAOYSA-N 0 0 173.259 2.819 10 30 AFEERN C=C(C)C#C[C@H](O)C1CCCCC1 196850206 572626167 /nfs/dbraw/zinc/62/61/67/572626167.db2.gz JOFONYYBUIAFFD-LBPRGKRZSA-N 0 0 178.275 2.507 10 30 AFEERN C=C1[C@H](C)CC[C@@H](C(C)C)[C@H]1O 306474801 572626376 /nfs/dbraw/zinc/62/63/76/572626376.db2.gz WNDJHODLYQARJS-MIMYLULJSA-N 0 0 168.280 2.606 10 30 AFEERN CC[C@@](C)(O)C#Cc1ccsc1C 306459834 572626384 /nfs/dbraw/zinc/62/63/84/572626384.db2.gz BYXTWJJYVODBKI-LLVKDONJSA-N 0 0 194.299 2.569 10 30 AFEERN C=C(CC)[C@@]12CCC[C@@H]1CC2=O 196844975 572626583 /nfs/dbraw/zinc/62/65/83/572626583.db2.gz TUAQZUVCUCEYNI-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CCCCC#CC[C@H]1CCCC1=O 196842272 572626755 /nfs/dbraw/zinc/62/67/55/572626755.db2.gz IPFOYMBTBDTUOM-NSHDSACASA-N 0 0 178.275 2.939 10 30 AFEERN C=C(CC)[C@]12CCC[C@@H]1CC2=O 196844987 572626807 /nfs/dbraw/zinc/62/68/07/572626807.db2.gz TUAQZUVCUCEYNI-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)CC#C/C=C\Cl 306460441 572626865 /nfs/dbraw/zinc/62/68/65/572626865.db2.gz YKQCLYNMFJQWDQ-ALCCZGGFSA-N 0 0 142.629 2.788 10 30 AFEERN C=C[C@]1(C)CCCC[C@H]1[C@H](C)CO 306476259 572626989 /nfs/dbraw/zinc/62/69/89/572626989.db2.gz IVAOQEKSUDNXCW-GRYCIOLGSA-N 0 0 182.307 2.997 10 30 AFEERN C=C([C@H]1CCC[C@@H](O)C1)[Si](C)(C)C 196840893 572627314 /nfs/dbraw/zinc/62/73/14/572627314.db2.gz QVPOKGDOSOJLDK-WDEREUQCSA-N 0 0 198.382 2.971 10 30 AFEERN C=C/C(C)=C\C(=O)CCCC 307850568 572627327 /nfs/dbraw/zinc/62/73/27/572627327.db2.gz AYTTXHAFATVKDO-HJWRWDBZSA-N 0 0 152.237 2.878 10 30 AFEERN CC#C[C@]1(O)CCC(C)(C)C[C@@H]1C 306440616 572627365 /nfs/dbraw/zinc/62/73/65/572627365.db2.gz IDKWZCZWJWVSFX-JQWIXIFHSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(C)/C=C(/C)NC(=O)OC(C)(C)C 307641021 572628351 /nfs/dbraw/zinc/62/83/51/572628351.db2.gz IACCBPLWVGUEQY-CLFYSBASSA-N 0 0 197.278 2.991 10 30 AFEERN C=C(C)[C@@H](O)[C@H]1CC2CCC1CC2 306495296 572627703 /nfs/dbraw/zinc/62/77/03/572627703.db2.gz BWFYXKYZRGKBND-MMVSWEMESA-N 0 0 180.291 2.750 10 30 AFEERN C=CC[C@H](NN)[C@@H](CCC)CC(C)C 308078512 572628209 /nfs/dbraw/zinc/62/82/09/572628209.db2.gz YOMKRZGHBGXEGT-RYUDHWBXSA-N 0 0 198.354 2.857 10 30 AFEERN C=C1CCC(C)(C)CC[C@@H]1O 222338409 572631345 /nfs/dbraw/zinc/63/13/45/572631345.db2.gz AHBXEMPGVGOOQA-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)[C@H](O)[C@@H]1CC2CCC1CC2 306495293 572628845 /nfs/dbraw/zinc/62/88/45/572628845.db2.gz BWFYXKYZRGKBND-HCWSGVFWSA-N 0 0 180.291 2.750 10 30 AFEERN C=C1C[C@@]23CCC[C@]2(C)C[C@@H](O)[C@@H]13 307698451 572629045 /nfs/dbraw/zinc/62/90/45/572629045.db2.gz HZMITPVQXJRZPU-DDHJBXDOSA-N 0 0 178.275 2.504 10 30 AFEERN C=C(C)Cn1cc(C)c(C)c1 306424630 572628981 /nfs/dbraw/zinc/62/89/81/572628981.db2.gz IQSZBFLDCDXNTM-UHFFFAOYSA-N 0 0 149.237 2.681 10 30 AFEERN C=CC[C@@H](NN)[C@H](CCC)CC(C)C 308078513 572629126 /nfs/dbraw/zinc/62/91/26/572629126.db2.gz YOMKRZGHBGXEGT-VXGBXAGGSA-N 0 0 198.354 2.857 10 30 AFEERN C=CC[C@H](NN)[C@H](CCC)CC(C)C 308078508 572629152 /nfs/dbraw/zinc/62/91/52/572629152.db2.gz YOMKRZGHBGXEGT-NEPJUHHUSA-N 0 0 198.354 2.857 10 30 AFEERN C=C[C@H](C)[C@H](O)c1ccccc1OC 238367040 572629215 /nfs/dbraw/zinc/62/92/15/572629215.db2.gz AZPZEHFJDAXOPM-CABZTGNLSA-N 0 0 192.258 2.551 10 30 AFEERN C=C([C@H]1CCCC[C@@H]1O)[Si](C)(C)C 307672279 572629216 /nfs/dbraw/zinc/62/92/16/572629216.db2.gz YHWWDMTUXWNTEM-MNOVXSKESA-N 0 0 198.382 2.971 10 30 AFEERN N#CCc1nc(C2CCCC2)cs1 54077647 572629222 /nfs/dbraw/zinc/62/92/22/572629222.db2.gz NRQPDDAPVFKHQK-UHFFFAOYSA-N 0 0 192.287 2.867 10 30 AFEERN C=C1C[C@@H]2CCC[C@@]23CCC(=O)[C@H]13 306454173 572629307 /nfs/dbraw/zinc/62/93/07/572629307.db2.gz YRRVGKTYLLOKSY-ZMLRMANQSA-N 0 0 176.259 2.712 10 30 AFEERN C=CC[C@@H]1CC[C@@H](C(C)=O)[C@H]1C 306419207 572629418 /nfs/dbraw/zinc/62/94/18/572629418.db2.gz VCONEMSMPCZKGZ-JMJZKYOTSA-N 0 0 166.264 2.814 10 30 AFEERN CC#CCCC(=O)c1sccc1F 306489850 572629497 /nfs/dbraw/zinc/62/94/97/572629497.db2.gz XXVRXHZYNZFXSJ-UHFFFAOYSA-N 0 0 196.246 2.873 10 30 AFEERN C=C[C@@H]1C=Cc2ccccc2[C@@H]1CO 306454085 572629710 /nfs/dbraw/zinc/62/97/10/572629710.db2.gz YYLFUQWQBFVJAL-ZWNOBZJWSA-N 0 0 186.254 2.592 10 30 AFEERN C=C1CC[C@@H]2[C@H](C)CC[C@H](O)[C@@H]2C1 306419340 572629813 /nfs/dbraw/zinc/62/98/13/572629813.db2.gz XBHPOSXRVQQVMT-KKOKHZNYSA-N 0 0 180.291 2.750 10 30 AFEERN C=C1CCC(C)(C)CC[C@H]1O 222338468 572630079 /nfs/dbraw/zinc/63/00/79/572630079.db2.gz AHBXEMPGVGOOQA-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN C=CCNc1nc([C@@H]2C[C@@H]2C)cs1 306491720 572630104 /nfs/dbraw/zinc/63/01/04/572630104.db2.gz WKILQARAVWPHQL-JGVFFNPUSA-N 0 0 194.303 2.864 10 30 AFEERN C=C[C@](C)(O)CC/C=C(/C)CCC=O 115798518 572630210 /nfs/dbraw/zinc/63/02/10/572630210.db2.gz YHHPBYNAHAIMNQ-RDQDRAATSA-N 0 0 196.290 2.629 10 30 AFEERN CC[C@](C)(O)C#Cc1ccc(C)s1 306479880 572632951 /nfs/dbraw/zinc/63/29/51/572632951.db2.gz KMDZEADFKRBTDF-NSHDSACASA-N 0 0 194.299 2.569 10 30 AFEERN C#C[C@H](/C=C/C)[C@H]1CCCCC1=O 306497820 572630441 /nfs/dbraw/zinc/63/04/41/572630441.db2.gz SFNYHKAENHNRCI-XEQKKNTQSA-N 0 0 176.259 2.571 10 30 AFEERN C=CC[C@]1(C)C[C@H](C)C[C@@H](O)C1 306450863 572630474 /nfs/dbraw/zinc/63/04/74/572630474.db2.gz QVJZWHVMPUFWLY-GMTAPVOTSA-N 0 0 168.280 2.750 10 30 AFEERN C=CCNc1nc([C@H]2C[C@H]2C)cs1 306491721 572630551 /nfs/dbraw/zinc/63/05/51/572630551.db2.gz WKILQARAVWPHQL-SFYZADRCSA-N 0 0 194.303 2.864 10 30 AFEERN CCc1sc2cc[nH]c2c1C#N 74307877 572630555 /nfs/dbraw/zinc/63/05/55/572630555.db2.gz QHQMTFCLITWKNH-UHFFFAOYSA-N 0 0 176.244 2.663 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@@H](O)C[C@H]12 306451557 572630585 /nfs/dbraw/zinc/63/05/85/572630585.db2.gz CLPPFTDAGSFPIK-IJLUTSLNSA-N 0 0 180.291 2.894 10 30 AFEERN C=C[C@@H]1C[C@@H](C(=C)C)CC(=O)[C@H]1C 306444433 572630611 /nfs/dbraw/zinc/63/06/11/572630611.db2.gz RMKKSTKKOPUZKR-HBNTYKKESA-N 0 0 178.275 2.980 10 30 AFEERN C=CCc1cc(N=O)ccc1O 222328937 572630909 /nfs/dbraw/zinc/63/09/09/572630909.db2.gz TUTINZAEZVXVKF-UHFFFAOYSA-N 0 0 163.176 2.519 10 30 AFEERN C=CCC(=C)C(F)(F)F 307657916 572631066 /nfs/dbraw/zinc/63/10/66/572631066.db2.gz BRMBIFYSHRQBEI-UHFFFAOYSA-N 0 0 136.116 2.681 10 30 AFEERN C=C[C@@H](C)[C@H](O)c1ccccc1OC 238367138 572631085 /nfs/dbraw/zinc/63/10/85/572631085.db2.gz AZPZEHFJDAXOPM-SKDRFNHKSA-N 0 0 192.258 2.551 10 30 AFEERN CCc1[nH]c2sccc2c1C#N 74307879 572631097 /nfs/dbraw/zinc/63/10/97/572631097.db2.gz ZCENVEGRXBCRSW-UHFFFAOYSA-N 0 0 176.244 2.663 10 30 AFEERN C=C(C)[C@@H]1C=C[C@@H](C)[C@H](C(C)=O)C1 306450440 572631137 /nfs/dbraw/zinc/63/11/37/572631137.db2.gz PORSJTCAAGJIMJ-YUSALJHKSA-N 0 0 178.275 2.980 10 30 AFEERN CC[C@@H]1O[C@@H]1C[C@H](C)c1cccnc1 251767445 572632446 /nfs/dbraw/zinc/63/24/46/572632446.db2.gz VTCUJNRRFOONKV-ZMLRMANQSA-N 0 0 191.274 2.753 10 30 AFEERN Cc1cc2sc(C)c(C#N)c2[nH]1 74307881 572631267 /nfs/dbraw/zinc/63/12/67/572631267.db2.gz LVVUKECZPJSBMP-UHFFFAOYSA-N 0 0 176.244 2.718 10 30 AFEERN C#CCC[C@]1(O)CCC[C@@H](C)[C@@H]1C 222321684 572631402 /nfs/dbraw/zinc/63/14/02/572631402.db2.gz TYBLSXCYZUYWGQ-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN C[C@@H](CCO)CCCC(C)(C)C#N 238366875 572631582 /nfs/dbraw/zinc/63/15/82/572631582.db2.gz FYJSCOGHNDNCCY-SNVBAGLBSA-N 0 0 183.295 2.725 10 30 AFEERN CC1CC(C#N)(c2cccs2)C1 70068588 572631591 /nfs/dbraw/zinc/63/15/91/572631591.db2.gz DZUHCESGAFYEAX-UHFFFAOYSA-N 0 0 177.272 2.939 10 30 AFEERN CCCCCCC[C@H](O)C(=O)CC 115776164 572631673 /nfs/dbraw/zinc/63/16/73/572631673.db2.gz NYPKMEVPAOEYPL-NSHDSACASA-N 0 0 186.295 2.687 10 30 AFEERN C=C(C)C[C@@H](O)[C@H]1CC1(Cl)Cl 306434550 572631744 /nfs/dbraw/zinc/63/17/44/572631744.db2.gz APVFVWBUIZJNCL-RNFRBKRXSA-N 0 0 195.089 2.507 10 30 AFEERN N#Cc1ccccc1-c1ccccc1O 115748789 572632137 /nfs/dbraw/zinc/63/21/37/572632137.db2.gz DPISMVQPIXVMHY-UHFFFAOYSA-N 0 0 195.221 2.931 10 30 AFEERN CC1=CCCC(=O)C=CCC1 307850886 572632269 /nfs/dbraw/zinc/63/22/69/572632269.db2.gz BKYUMFYPGKONPC-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CCCCCCC[C@@H](O)C(=O)CC 115776163 572632304 /nfs/dbraw/zinc/63/23/04/572632304.db2.gz NYPKMEVPAOEYPL-LLVKDONJSA-N 0 0 186.295 2.687 10 30 AFEERN C=CCCC/C=C/CO[C@@H](C)CCO 238368986 572632360 /nfs/dbraw/zinc/63/23/60/572632360.db2.gz KUDYOQFGJUFNCL-GUOLPTJISA-N 0 0 198.306 2.686 10 30 AFEERN C=CC[C@]1(C)C[C@@H](C)C[C@@H](O)C1 306450864 572632372 /nfs/dbraw/zinc/63/23/72/572632372.db2.gz QVJZWHVMPUFWLY-HBNTYKKESA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@](C)(O)CC/C=C(/C)CCC=O 115798521 572632383 /nfs/dbraw/zinc/63/23/83/572632383.db2.gz YHHPBYNAHAIMNQ-SEVUFMINSA-N 0 0 196.290 2.629 10 30 AFEERN C=C[C@H](C)C1(OCCO)CCCCC1 238369128 572632388 /nfs/dbraw/zinc/63/23/88/572632388.db2.gz YSTHKNGCOXJZII-NSHDSACASA-N 0 0 198.306 2.520 10 30 AFEERN CC/C=C/C#CCCCCCCO 115799898 572632538 /nfs/dbraw/zinc/63/25/38/572632538.db2.gz LAQUNBXGEULBAE-ONEGZZNKSA-N 0 0 180.291 2.899 10 30 AFEERN C#CCCCSC/C=C/C 307630890 572632579 /nfs/dbraw/zinc/63/25/79/572632579.db2.gz ZATLWFINNBKJCR-GQCTYLIASA-N 0 0 154.278 2.709 10 30 AFEERN CC[C@@H]1O[C@H]1C[C@H](C)c1cccnc1 251767441 572632942 /nfs/dbraw/zinc/63/29/42/572632942.db2.gz VTCUJNRRFOONKV-DLOVCJGASA-N 0 0 191.274 2.753 10 30 AFEERN Cc1[nH]c2c(C)csc2c1C#N 74307878 572632762 /nfs/dbraw/zinc/63/27/62/572632762.db2.gz OFRVHUPSIUCTNR-UHFFFAOYSA-N 0 0 176.244 2.718 10 30 AFEERN CCC1([C@@H](O)CC#CC(C)(C)C)CC1 307615745 572632831 /nfs/dbraw/zinc/63/28/31/572632831.db2.gz QUVHSNQCIUFRKJ-NSHDSACASA-N 0 0 194.318 2.977 10 30 AFEERN C=C1C[C@@H]2CCC[C@]23CCC(=O)[C@H]13 306454171 572632863 /nfs/dbraw/zinc/63/28/63/572632863.db2.gz YRRVGKTYLLOKSY-DLOVCJGASA-N 0 0 176.259 2.712 10 30 AFEERN C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1(C)C 306420535 572632977 /nfs/dbraw/zinc/63/29/77/572632977.db2.gz ZZHPNGNMPNWJST-WDEREUQCSA-N 0 0 180.291 2.916 10 30 AFEERN C#CCC[C@]1(O)CC[C@@H](C)C[C@@H]1C 222329719 572633039 /nfs/dbraw/zinc/63/30/39/572633039.db2.gz VMQKMOKCJHJNDX-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN N#Cc1cn(C2CC2)c2cc(O)ccc12 115787343 572633267 /nfs/dbraw/zinc/63/32/67/572633267.db2.gz VBGPYYOPEHZHAQ-UHFFFAOYSA-N 0 0 198.225 2.553 10 30 AFEERN C=C1C=CC2(CCC(C)CC2)[C@H]1O 306410315 572633147 /nfs/dbraw/zinc/63/31/47/572633147.db2.gz ZPELJHYPNWZIBR-ZYXZCXLHSA-N 0 0 178.275 2.670 10 30 AFEERN C=C(CCC=C(C)C)[C@@H](C)CO 238368126 572633193 /nfs/dbraw/zinc/63/31/93/572633193.db2.gz OUEGYQDDDCNEKI-NSHDSACASA-N 0 0 168.280 2.917 10 30 AFEERN CC/C=C\C#CCCCCCCO 115799894 572633344 /nfs/dbraw/zinc/63/33/44/572633344.db2.gz LAQUNBXGEULBAE-ARJAWSKDSA-N 0 0 180.291 2.899 10 30 AFEERN CCCCCCC#CCCCO 115877743 572633447 /nfs/dbraw/zinc/63/34/47/572633447.db2.gz SSGIYFIWUVMXGB-UHFFFAOYSA-N 0 0 168.280 2.733 10 30 AFEERN CON=C(C)C1CCCCCC1 388410222 572633507 /nfs/dbraw/zinc/63/35/07/572633507.db2.gz XFPKBEIOHMDQNJ-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN C=CC(=C)[C@H](O)CC[C@H](C)CCOC 238367642 572633618 /nfs/dbraw/zinc/63/36/18/572633618.db2.gz KJWMWABSVWPJSC-CMPLNLGQSA-N 0 0 198.306 2.542 10 30 AFEERN C=C[C@H](C)C(=O)CC1=CCCC1 238368563 572635245 /nfs/dbraw/zinc/63/52/45/572635245.db2.gz KPHOFFGEEJDURM-VIFPVBQESA-N 0 0 164.248 2.878 10 30 AFEERN C=CCCCc1cccc(OC)c1N 238368467 572634087 /nfs/dbraw/zinc/63/40/87/572634087.db2.gz AKWFKLSTFBYQLD-UHFFFAOYSA-N 0 0 191.274 2.786 10 30 AFEERN C#CCCC[C@]1(O)CC(C)(C)C[C@H]1C 235273684 572634088 /nfs/dbraw/zinc/63/40/88/572634088.db2.gz QUNMQJOQKVKBML-YPMHNXCESA-N 0 0 194.318 2.977 10 30 AFEERN CCCCCc1ccc(C#N)cn1 74309103 572634195 /nfs/dbraw/zinc/63/41/95/572634195.db2.gz NEHLFDRWWXUNMV-UHFFFAOYSA-N 0 0 174.247 2.686 10 30 AFEERN Cc1ncc(C#N)c(C(C)C)c1C 74309072 572634234 /nfs/dbraw/zinc/63/42/34/572634234.db2.gz RCHPRYHMCXQWBM-UHFFFAOYSA-N 0 0 174.247 2.694 10 30 AFEERN C#CCC[C@]1(O)CCC[C@H](C)[C@@H]1C 222321771 572634243 /nfs/dbraw/zinc/63/42/43/572634243.db2.gz TYBLSXCYZUYWGQ-SRVKXCTJSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(C)[C@]1(O)CC(C)(C)C[C@H]1C 235271438 572634317 /nfs/dbraw/zinc/63/43/17/572634317.db2.gz KZDXMUZMRCQCAC-MWLCHTKSSA-N 0 0 168.280 2.750 10 30 AFEERN C=CCCCCCNCC(F)(F)F 236115331 572634361 /nfs/dbraw/zinc/63/43/61/572634361.db2.gz COHIOXYBIISSJH-UHFFFAOYSA-N 0 0 195.228 2.885 10 30 AFEERN C#C/C(C)=C\C[C@H]1CCCCC1=O 306410700 572634402 /nfs/dbraw/zinc/63/44/02/572634402.db2.gz NJBNUAGIHAJFGM-HIJJYWJESA-N 0 0 176.259 2.715 10 30 AFEERN CC(C)CCc1ccc(C#N)cn1 74309104 572634430 /nfs/dbraw/zinc/63/44/30/572634430.db2.gz FTGCCHAXQVDMTD-UHFFFAOYSA-N 0 0 174.247 2.542 10 30 AFEERN CCc1oc2cc(C)[nH]c2c1C#N 74309261 572634533 /nfs/dbraw/zinc/63/45/33/572634533.db2.gz BQMDUZGCWQSULB-UHFFFAOYSA-N 0 0 174.203 2.503 10 30 AFEERN C#CCC[C@]1(O)CC[C@H](C)C[C@@H]1C 222330042 572634568 /nfs/dbraw/zinc/63/45/68/572634568.db2.gz VMQKMOKCJHJNDX-SRVKXCTJSA-N 0 0 180.291 2.587 10 30 AFEERN Cc1c(C#N)cnc(C(C)C)c1C 74309100 572634608 /nfs/dbraw/zinc/63/46/08/572634608.db2.gz BXVDCRMQZTUHBE-UHFFFAOYSA-N 0 0 174.247 2.694 10 30 AFEERN C[C@H](/N=C/c1ccc[nH]1)c1ccccn1 28542063 572634638 /nfs/dbraw/zinc/63/46/38/572634638.db2.gz GCOQLRMYILZOET-CNOAHFENSA-N 0 0 199.257 2.590 10 30 AFEERN C#Cc1cc(C)c(F)cc1Cl 306438014 572634766 /nfs/dbraw/zinc/63/47/66/572634766.db2.gz HXJPTWPLQKQHKP-UHFFFAOYSA-N 0 0 168.598 2.769 10 30 AFEERN N#Cc1ccc2nc(C3CC3)oc2c1 107130120 572635526 /nfs/dbraw/zinc/63/55/26/572635526.db2.gz FCNMSFVNYWIBLP-UHFFFAOYSA-N 0 0 184.198 2.577 10 30 AFEERN C#C[C@@H](C1CCCCC1)[C@H](O)CC 306480758 572637029 /nfs/dbraw/zinc/63/70/29/572637029.db2.gz NLMMTFNQDXDXNA-NWDGAFQWSA-N 0 0 180.291 2.587 10 30 AFEERN C=C[C@@](C)(c1ccccc1)[C@H](C)O 306482103 572635851 /nfs/dbraw/zinc/63/58/51/572635851.db2.gz HYWDYTKZKDXTOM-CMPLNLGQSA-N 0 0 176.259 2.511 10 30 AFEERN C=C1[C@H]2C(=O)CC[C@H]3CCC[C@@H]1[C@@H]23 306446295 572636056 /nfs/dbraw/zinc/63/60/56/572636056.db2.gz AXOSRCJENGPHIP-QCZKYFFMSA-N 0 0 176.259 2.568 10 30 AFEERN CCc1cc(C(C)C)c(C#N)cn1 74309101 572636166 /nfs/dbraw/zinc/63/61/66/572636166.db2.gz USWVYIUWYLCOJG-UHFFFAOYSA-N 0 0 174.247 2.639 10 30 AFEERN C=CC(=C)CCC[C@@H](C)CO 238370242 572636215 /nfs/dbraw/zinc/63/62/15/572636215.db2.gz LCBPWXREKZBHEY-SNVBAGLBSA-N 0 0 154.253 2.527 10 30 AFEERN C=C[C@H](C)[C@@H](CO)c1cccs1 238370033 572636247 /nfs/dbraw/zinc/63/62/47/572636247.db2.gz DBSJLVZHLSKCKG-DTWKUNHWSA-N 0 0 182.288 2.646 10 30 AFEERN C=CC[C@H](OC)c1cccc(O)c1 238375694 572637057 /nfs/dbraw/zinc/63/70/57/572637057.db2.gz XZGBALICJGMXFV-NSHDSACASA-N 0 0 178.231 2.656 10 30 AFEERN N#Cc1c[nH]c(-c2ccsc2)c1 74309126 572636357 /nfs/dbraw/zinc/63/63/57/572636357.db2.gz ZOKFTXWISBYEOQ-UHFFFAOYSA-N 0 0 174.228 2.615 10 30 AFEERN CCc1oc2c(C)coc2c1C#N 74308942 572636524 /nfs/dbraw/zinc/63/65/24/572636524.db2.gz AJXVIXFGMSGBCB-UHFFFAOYSA-N 0 0 175.187 2.768 10 30 AFEERN N#Cc1cccc2oc(C3CC3)nc12 107130126 572636473 /nfs/dbraw/zinc/63/64/73/572636473.db2.gz GKDFGEUMVSMFLC-UHFFFAOYSA-N 0 0 184.198 2.577 10 30 AFEERN C[C@@H]1C[C@@H]1c1ccc(/C(Cl)=N/[O-])o1 235271960 572636727 /nfs/dbraw/zinc/63/67/27/572636727.db2.gz BGALWHBTIUWHIV-SDMSBDTMSA-N 0 0 199.637 2.778 10 30 AFEERN C=C[C@@H]1CC[C@@]2(C)CCCC(=O)[C@H]12 306451627 572636827 /nfs/dbraw/zinc/63/68/27/572636827.db2.gz DDOAFUQIPAOYTJ-ADEWGFFLSA-N 0 0 178.275 2.958 10 30 AFEERN CO[C@@H](CC=O)c1ccccc1Cl 238376086 572637184 /nfs/dbraw/zinc/63/71/84/572637184.db2.gz WSSCFCRHFHCDFQ-JTQLQIEISA-N 0 0 198.649 2.617 10 30 AFEERN N#Cc1ccc2ccccc2c1[N+](=O)[O-] 115913153 572637307 /nfs/dbraw/zinc/63/73/07/572637307.db2.gz NQPITHJENKFOOC-UHFFFAOYSA-N 0 0 198.181 2.620 10 30 AFEERN CCSCCCON=C1CCC1 308083454 572637617 /nfs/dbraw/zinc/63/76/17/572637617.db2.gz LJHFROUUYIADLW-UHFFFAOYSA-N 0 0 187.308 2.686 10 30 AFEERN C#CCCC(=O)/C=C/C=C/C(C)C 308080156 572637696 /nfs/dbraw/zinc/63/76/96/572637696.db2.gz BFXZHQMGRHVUKF-NBANWCDVSA-N 0 0 176.259 2.737 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)[C@H]1[C@H](C)O 307664202 572637709 /nfs/dbraw/zinc/63/77/09/572637709.db2.gz KEIHLNXAGKCCKG-NAKRPEOUSA-N 0 0 168.280 2.606 10 30 AFEERN C=C[C@]1(C)CCCC[C@@H]1[C@@H](C)CO 306476263 572637738 /nfs/dbraw/zinc/63/77/38/572637738.db2.gz IVAOQEKSUDNXCW-QJPTWQEYSA-N 0 0 182.307 2.997 10 30 AFEERN C=C(C)CC(=O)[C@@H]1C[C@H]1CC 307656450 572637802 /nfs/dbraw/zinc/63/78/02/572637802.db2.gz QMRYBAIZYVPUOE-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN CO[C@@H](CCC=O)C1CCCCC1 238376595 572637838 /nfs/dbraw/zinc/63/78/38/572637838.db2.gz IGCBFVZSCCWTSW-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN CO[C@@]1(C(C)C)CCCC[C@@H]1CC=O 238377558 572637868 /nfs/dbraw/zinc/63/78/68/572637868.db2.gz FFJMTTKMPPQRPP-VXGBXAGGSA-N 0 0 198.306 2.807 10 30 AFEERN C=C(C)[C@H](C)[C@H](O)[C@H](C)CC 307664294 572637892 /nfs/dbraw/zinc/63/78/92/572637892.db2.gz YTQSPZRFRFADGG-KXUCPTDWSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@]1(C)CCCC[C@@H]1[C@H](C)CO 306476261 572638002 /nfs/dbraw/zinc/63/80/02/572638002.db2.gz IVAOQEKSUDNXCW-IJLUTSLNSA-N 0 0 182.307 2.997 10 30 AFEERN C=C(Cl)CSCCC 306478311 572638071 /nfs/dbraw/zinc/63/80/71/572638071.db2.gz CCLMFNSTMZSZRH-UHFFFAOYSA-N 0 0 150.674 2.882 10 30 AFEERN C=C(C)[C@H](CC[C@H](C)CC=O)OC 238377854 572638780 /nfs/dbraw/zinc/63/87/80/572638780.db2.gz SANCUXFZDKPIQM-QWRGUYRKSA-N 0 0 184.279 2.583 10 30 AFEERN C=C1[C@@H]2C[C@@H]2[C@]2(C)CCC(=O)C[C@@H]12 306410107 572638735 /nfs/dbraw/zinc/63/87/35/572638735.db2.gz MWMLLAKEUCYVNC-FIQHERPVSA-N 0 0 176.259 2.568 10 30 AFEERN CO[C@@H](CC=O)c1cccc(Cl)c1 238376046 572638746 /nfs/dbraw/zinc/63/87/46/572638746.db2.gz WEHNSJKADKTSNQ-JTQLQIEISA-N 0 0 198.649 2.617 10 30 AFEERN C=C(C)CNc1ccc(C#N)cc1C 307615560 572638765 /nfs/dbraw/zinc/63/87/65/572638765.db2.gz QEPLTRFTGMSIEJ-UHFFFAOYSA-N 0 0 186.258 2.855 10 30 AFEERN C=C(C)[C@H](C)[C@@H](O)[C@H](C)CC 307664296 572638783 /nfs/dbraw/zinc/63/87/83/572638783.db2.gz YTQSPZRFRFADGG-UTLUCORTSA-N 0 0 156.269 2.606 10 30 AFEERN CCCCC[C@](C)(C#N)NCCC 87648440 572646074 /nfs/dbraw/zinc/64/60/74/572646074.db2.gz HDESSBYQVVDIQX-LLVKDONJSA-N 0 0 182.311 2.849 10 30 AFEERN Cc1cocc1CC[C@H](C)CC=O 238377804 572639078 /nfs/dbraw/zinc/63/90/78/572639078.db2.gz CGVSFAUSZSAHLA-VIFPVBQESA-N 0 0 180.247 2.746 10 30 AFEERN C[C@H](CC=O)CCc1cccs1 238377724 572639092 /nfs/dbraw/zinc/63/90/92/572639092.db2.gz YFHOMYJMSFJLBJ-VIFPVBQESA-N 0 0 182.288 2.906 10 30 AFEERN C=CC[C@H](OC)c1ccccc1O 238375717 572639129 /nfs/dbraw/zinc/63/91/29/572639129.db2.gz HEWBYQCESKUXHR-NSHDSACASA-N 0 0 178.231 2.656 10 30 AFEERN CCCCC[C@](C)(O)C(C)(C)C#N 87650083 572649378 /nfs/dbraw/zinc/64/93/78/572649378.db2.gz GTTTXMWKWDDDNV-NSHDSACASA-N 0 0 183.295 2.867 10 30 AFEERN C=C[C@H]1C[C@H]2CC(=O)C[C@@H](C1)C2 307698986 572639266 /nfs/dbraw/zinc/63/92/66/572639266.db2.gz NQVLUULJAHECTC-ILWJIGKKSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1[C@H]2CC(=O)CC[C@@]2(C)[C@H]2C[C@@H]12 306410109 572639502 /nfs/dbraw/zinc/63/95/02/572639502.db2.gz MWMLLAKEUCYVNC-WHOHXGKFSA-N 0 0 176.259 2.568 10 30 AFEERN CC(C)(C=O)CC[C@H]1CCC=CC1=O 72986364 572639508 /nfs/dbraw/zinc/63/95/08/572639508.db2.gz BSRIAVNTIQNQTH-SNVBAGLBSA-N 0 0 194.274 2.527 10 30 AFEERN C#Cc1cccc(NCC2(F)CC2)c1 306485533 572639543 /nfs/dbraw/zinc/63/95/43/572639543.db2.gz IOCHMESAEJNDPN-UHFFFAOYSA-N 0 0 189.233 2.582 10 30 AFEERN CC#C[C@]1(O)CCC(C)(C)C[C@H]1C 306440618 572639614 /nfs/dbraw/zinc/63/96/14/572639614.db2.gz IDKWZCZWJWVSFX-PWSUYJOCSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(C)[C@H](CC[C@@H](C)CC=O)OC 238377750 572639714 /nfs/dbraw/zinc/63/97/14/572639714.db2.gz SANCUXFZDKPIQM-MNOVXSKESA-N 0 0 184.279 2.583 10 30 AFEERN CO[C@@]1(C(C)C)CCCC[C@H]1CC=O 238377569 572639718 /nfs/dbraw/zinc/63/97/18/572639718.db2.gz FFJMTTKMPPQRPP-NWDGAFQWSA-N 0 0 198.306 2.807 10 30 AFEERN CC(=O)/C=C\c1csc(C)c1 328512062 572639743 /nfs/dbraw/zinc/63/97/43/572639743.db2.gz BWFDXZKNEAJUFL-ARJAWSKDSA-N 0 0 166.245 2.659 10 30 AFEERN CC#CCCn1cc(C)c(C)c1C 306413581 572639812 /nfs/dbraw/zinc/63/98/12/572639812.db2.gz SVBZDQOVQVFQHZ-UHFFFAOYSA-N 0 0 175.275 2.827 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)[C@@H]1[C@@H](C)O 307664205 572640352 /nfs/dbraw/zinc/64/03/52/572640352.db2.gz KEIHLNXAGKCCKG-ZRUFSTJUSA-N 0 0 168.280 2.606 10 30 AFEERN C[C@H](CC=O)CC[C@H]1CC[C@@H](C)O1 238374374 572640368 /nfs/dbraw/zinc/64/03/68/572640368.db2.gz CSWAAGVLNQCIKB-AXFHLTTASA-N 0 0 184.279 2.559 10 30 AFEERN C=C(C)C[C@H](O)[C@@H]1CC1(Cl)Cl 306434545 572640707 /nfs/dbraw/zinc/64/07/07/572640707.db2.gz APVFVWBUIZJNCL-BQBZGAKWSA-N 0 0 195.089 2.507 10 30 AFEERN CC[C@@H](C)SCCC[C@H]1CO1 307851211 572641237 /nfs/dbraw/zinc/64/12/37/572641237.db2.gz BLDMJRUCYVJOEQ-BDAKNGLRSA-N 0 0 174.309 2.697 10 30 AFEERN C=C[C@H](O)C1CCC(C)(C)CC1 307696897 572640754 /nfs/dbraw/zinc/64/07/54/572640754.db2.gz FJGQXQFIQSEETJ-JTQLQIEISA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@H](C)CC[C@H](O)c1ccco1 238374152 572641015 /nfs/dbraw/zinc/64/10/15/572641015.db2.gz QGEPFPNUSSDDOY-ZJUUUORDSA-N 0 0 180.247 2.915 10 30 AFEERN C=CC1=C([C@@H](O)[C@@H](C)C=C)CCC1 238373675 572641054 /nfs/dbraw/zinc/64/10/54/572641054.db2.gz AQMGOHIINBOYRQ-CABZTGNLSA-N 0 0 178.275 2.836 10 30 AFEERN C[C@H](CC=O)CC[C@@H]1CC[C@@H](C)O1 238373171 572641131 /nfs/dbraw/zinc/64/11/31/572641131.db2.gz CSWAAGVLNQCIKB-HBNTYKKESA-N 0 0 184.279 2.559 10 30 AFEERN COc1cc(C)ccc1CCCC=O 238378489 572641140 /nfs/dbraw/zinc/64/11/40/572641140.db2.gz HTHDXGZOIARFTL-UHFFFAOYSA-N 0 0 192.258 2.525 10 30 AFEERN C=C[C@H](C)[C@H](O)CCC(F)(F)F 238373763 572641507 /nfs/dbraw/zinc/64/15/07/572641507.db2.gz DQCWSGOPZOZLNR-NKWVEPMBSA-N 0 0 182.185 2.512 10 30 AFEERN C=C[C@@H](C)CC[C@H](C)C(C)=O 238373555 572641556 /nfs/dbraw/zinc/64/15/56/572641556.db2.gz GSTDIKFVFUDOPA-BDAKNGLRSA-N 0 0 154.253 2.814 10 30 AFEERN C=C(CC)CC(=O)c1cccc(C)n1 85060887 572644366 /nfs/dbraw/zinc/64/43/66/572644366.db2.gz KTSIALNILZRARA-UHFFFAOYSA-N 0 0 189.258 2.929 10 30 AFEERN CC[C@@H](C)SCCC[C@@H]1CO1 307851221 572641637 /nfs/dbraw/zinc/64/16/37/572641637.db2.gz BLDMJRUCYVJOEQ-RKDXNWHRSA-N 0 0 174.309 2.697 10 30 AFEERN C=C[C@H](C)[C@H](CO)c1cccs1 238373139 572641713 /nfs/dbraw/zinc/64/17/13/572641713.db2.gz DBSJLVZHLSKCKG-IUCAKERBSA-N 0 0 182.288 2.646 10 30 AFEERN C=C1[C@H](C)CC[C@H](C(C)C)[C@H]1O 306474800 572641760 /nfs/dbraw/zinc/64/17/60/572641760.db2.gz WNDJHODLYQARJS-IEBDPFPHSA-N 0 0 168.280 2.606 10 30 AFEERN CC#CC[NH2+]Cc1csc(Cl)c1 306463540 572641770 /nfs/dbraw/zinc/64/17/70/572641770.db2.gz HOKRIIRAURFNQR-UHFFFAOYSA-N 0 0 199.706 2.514 10 30 AFEERN C=C(CC)COc1ccccc1O 85059620 572642534 /nfs/dbraw/zinc/64/25/34/572642534.db2.gz VIVCLCUGSIBQJO-UHFFFAOYSA-N 0 0 178.231 2.737 10 30 AFEERN C=C1[C@@H]2[C@H](C[C@@]1(C)CCO)C2(C)C 307669037 572642046 /nfs/dbraw/zinc/64/20/46/572642046.db2.gz RMOIIYSJQMUMHC-HOSYDEDBSA-N 0 0 180.291 2.607 10 30 AFEERN CC#C[C@@]1(O)CCC(C)(C)C[C@H]1C 306440620 572642177 /nfs/dbraw/zinc/64/21/77/572642177.db2.gz IDKWZCZWJWVSFX-ZYHUDNBSSA-N 0 0 180.291 2.587 10 30 AFEERN C=CC(=O)/C=C/C(CC)CC 307851603 572642187 /nfs/dbraw/zinc/64/21/87/572642187.db2.gz ANYGGDONVUIHHI-BQYQJAHWSA-N 0 0 152.237 2.734 10 30 AFEERN CC[C@H](C)SCCC[C@H]1CO1 307851218 572642191 /nfs/dbraw/zinc/64/21/91/572642191.db2.gz BLDMJRUCYVJOEQ-IUCAKERBSA-N 0 0 174.309 2.697 10 30 AFEERN CC[C@H](C)SCCC[C@@H]1CO1 307851214 572642254 /nfs/dbraw/zinc/64/22/54/572642254.db2.gz BLDMJRUCYVJOEQ-DTWKUNHWSA-N 0 0 174.309 2.697 10 30 AFEERN C=CC[C@@H](O)C(C)(C)C(C)(C)C 308085490 572647855 /nfs/dbraw/zinc/64/78/55/572647855.db2.gz NOBCXCHUOJVCFT-SECBINFHSA-N 0 0 170.296 2.996 10 30 AFEERN C=C(CC)C[C@@H](CC)C(C)=O 85059812 572642443 /nfs/dbraw/zinc/64/24/43/572642443.db2.gz XPTQAYFGBOXHCZ-SNVBAGLBSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(C)CCC(=O)C(C)(C)F 307653812 572642458 /nfs/dbraw/zinc/64/24/58/572642458.db2.gz LYKOSKBHFYVJOG-UHFFFAOYSA-N 0 0 158.216 2.660 10 30 AFEERN C=C(CC)CC(=O)c1ccncc1 85060682 572642599 /nfs/dbraw/zinc/64/25/99/572642599.db2.gz DQWFFQABUARZOM-UHFFFAOYSA-N 0 0 175.231 2.621 10 30 AFEERN C=C(CC)COc1cccc(C=O)c1 85059240 572642697 /nfs/dbraw/zinc/64/26/97/572642697.db2.gz CZZAJPXDBBWYAX-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=C[C@@H]1[C@@H](C)CC(C)(C)C[C@@H]1O 306452106 572642705 /nfs/dbraw/zinc/64/27/05/572642705.db2.gz FILVTZVSPMDIOT-AEJSXWLSSA-N 0 0 168.280 2.606 10 30 AFEERN C=C[C@@H](C)[C@@H](O)c1ccccc1OC 238373446 572642773 /nfs/dbraw/zinc/64/27/73/572642773.db2.gz AZPZEHFJDAXOPM-BXKDBHETSA-N 0 0 192.258 2.551 10 30 AFEERN C=C1CC[C@H](O)[C@@H]2C[C@H](C)CC[C@@H]12 306452970 572642780 /nfs/dbraw/zinc/64/27/80/572642780.db2.gz HTZTZXXJXXCKLJ-KLHWPWHYSA-N 0 0 180.291 2.750 10 30 AFEERN CCCCS[C@H](C)CC#N 48247903 572642825 /nfs/dbraw/zinc/64/28/25/572642825.db2.gz XZZAGITZQSJGLH-MRVPVSSYSA-N 0 0 157.282 2.822 10 30 AFEERN CCCCC[C@](C)(C#N)NCC1CC1 87648558 572642844 /nfs/dbraw/zinc/64/28/44/572642844.db2.gz YOOYKZROZPQMRS-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN C=C(CC)CC(=O)[C@H](C)CC 85060892 572642853 /nfs/dbraw/zinc/64/28/53/572642853.db2.gz ZUQIAIICTKRNEC-SECBINFHSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(CC)CC(=O)c1ccoc1 85060910 572642861 /nfs/dbraw/zinc/64/28/61/572642861.db2.gz BWNBXDQOHZONAU-UHFFFAOYSA-N 0 0 164.204 2.819 10 30 AFEERN Cc1cccc(C(=O)[C@@H](C)CC#N)c1 48259102 572642882 /nfs/dbraw/zinc/64/28/82/572642882.db2.gz FTBOMGWXBIORJD-JTQLQIEISA-N 0 0 187.242 2.728 10 30 AFEERN C=C(CC)CSc1ccc(N)cn1 85059392 572642925 /nfs/dbraw/zinc/64/29/25/572642925.db2.gz QMNXSULJCPFIAS-UHFFFAOYSA-N 0 0 194.303 2.722 10 30 AFEERN C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)C=CC[C@@H]2C1 307676731 572642964 /nfs/dbraw/zinc/64/29/64/572642964.db2.gz HXPKHNPUVALOLW-RNJOBUHISA-N 0 0 192.302 2.916 10 30 AFEERN C=C(CC)CCC(=O)C1CC1 85059906 572642974 /nfs/dbraw/zinc/64/29/74/572642974.db2.gz LKKKSVAJGDYJCB-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1csc(S[C@@H](C)CC#N)n1 48247752 572643110 /nfs/dbraw/zinc/64/31/10/572643110.db2.gz SCUICGYBVVAVFQ-ZETCQYMHSA-N 0 0 198.316 2.846 10 30 AFEERN C=C(CC)CC(=O)c1ccccc1N 85060937 572643002 /nfs/dbraw/zinc/64/30/02/572643002.db2.gz QIIDTXXGYCSJMY-UHFFFAOYSA-N 0 0 189.258 2.808 10 30 AFEERN C=C(CC)C[C@H](C)C(=O)CC 85059912 572643023 /nfs/dbraw/zinc/64/30/23/572643023.db2.gz USEVQTCNKCHUOO-VIFPVBQESA-N 0 0 154.253 2.958 10 30 AFEERN C=C[C@@](C)(CO)c1cccc(Cl)c1 307658221 572643083 /nfs/dbraw/zinc/64/30/83/572643083.db2.gz CAOBPDDQDUWCHZ-NSHDSACASA-N 0 0 196.677 2.776 10 30 AFEERN C=CCCC/C=C/C(=O)C=C 307853003 572643188 /nfs/dbraw/zinc/64/31/88/572643188.db2.gz FBSXQXAGEWMSPI-CMDGGOBGSA-N 0 0 150.221 2.654 10 30 AFEERN C=C(CC)CSc1ccc(N)nc1 85059396 572643402 /nfs/dbraw/zinc/64/34/02/572643402.db2.gz ATKDXTVHOABSHX-UHFFFAOYSA-N 0 0 194.303 2.722 10 30 AFEERN CCC(C)=CC(=O)c1ccco1 85060835 572643535 /nfs/dbraw/zinc/64/35/35/572643535.db2.gz DWHHUUCBPVNBAK-UHFFFAOYSA-N 0 0 164.204 2.819 10 30 AFEERN C=C(CC)CSc1ncccc1N 85059389 572643541 /nfs/dbraw/zinc/64/35/41/572643541.db2.gz QPPQXQAVXHYPMT-UHFFFAOYSA-N 0 0 194.303 2.722 10 30 AFEERN CC[C@@H](C)S[C@@H](C)CC#N 48247770 572643550 /nfs/dbraw/zinc/64/35/50/572643550.db2.gz SHAKLZZGLOBMEQ-SFYZADRCSA-N 0 0 157.282 2.820 10 30 AFEERN C=C(CC)CC(=O)[C@@H](C)CC 85060895 572643568 /nfs/dbraw/zinc/64/35/68/572643568.db2.gz ZUQIAIICTKRNEC-VIFPVBQESA-N 0 0 154.253 2.958 10 30 AFEERN C=C[C@@H](C)SCC(C)C 306471911 572643693 /nfs/dbraw/zinc/64/36/93/572643693.db2.gz BWHMKMAAGBIIFV-MRVPVSSYSA-N 0 0 144.283 2.950 10 30 AFEERN C=C(C)C[C@@H](O)[C@@H]1CC1(Cl)Cl 306434549 572643707 /nfs/dbraw/zinc/64/37/07/572643707.db2.gz APVFVWBUIZJNCL-NKWVEPMBSA-N 0 0 195.089 2.507 10 30 AFEERN C=CCNc1cccc2c1OCCC2 306453763 572643716 /nfs/dbraw/zinc/64/37/16/572643716.db2.gz YRHXKLMAVAWVKY-UHFFFAOYSA-N 0 0 189.258 2.610 10 30 AFEERN C=C(CC)CC(=O)Cc1cccnc1 85060824 572643720 /nfs/dbraw/zinc/64/37/20/572643720.db2.gz VAURFMIMQQUJLN-UHFFFAOYSA-N 0 0 189.258 2.550 10 30 AFEERN C=C(CC)CC(=O)c1cc(C)ccn1 85060897 572643725 /nfs/dbraw/zinc/64/37/25/572643725.db2.gz LJTBJQFTODQYHP-UHFFFAOYSA-N 0 0 189.258 2.929 10 30 AFEERN C=C(CC)COc1ccc(O)cc1 85059617 572643743 /nfs/dbraw/zinc/64/37/43/572643743.db2.gz SOKHQBMEGGWTPV-UHFFFAOYSA-N 0 0 178.231 2.737 10 30 AFEERN CCCCC[C@](C)(C#N)NC1CC1 87648446 572643748 /nfs/dbraw/zinc/64/37/48/572643748.db2.gz YGZZVENVRZGHHY-LLVKDONJSA-N 0 0 180.295 2.601 10 30 AFEERN C[C@H](CC#N)CCc1ccc(O)cc1 238374810 572643867 /nfs/dbraw/zinc/64/38/67/572643867.db2.gz ZULKBTIIMZZUMR-JTQLQIEISA-N 0 0 189.258 2.875 10 30 AFEERN CCCCC[C@@](C)(C#N)NC(C)C 87648441 572643869 /nfs/dbraw/zinc/64/38/69/572643869.db2.gz RMBOINVPTBRMCA-NSHDSACASA-N 0 0 182.311 2.847 10 30 AFEERN C=C(CC)COc1cccc(N)c1 85064495 572643902 /nfs/dbraw/zinc/64/39/02/572643902.db2.gz LZOCBGZTVUQPRA-UHFFFAOYSA-N 0 0 177.247 2.614 10 30 AFEERN CCCCC[C@@](C)(C#N)NCC1CC1 87648557 572644096 /nfs/dbraw/zinc/64/40/96/572644096.db2.gz YOOYKZROZPQMRS-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN C=C(CC)CC(=O)Cc1ccncc1 85060827 572644142 /nfs/dbraw/zinc/64/41/42/572644142.db2.gz AKQKVYYONLYMNV-UHFFFAOYSA-N 0 0 189.258 2.550 10 30 AFEERN CC[C@H](C)S[C@@H](C)CC#N 48247773 572644190 /nfs/dbraw/zinc/64/41/90/572644190.db2.gz SHAKLZZGLOBMEQ-YUMQZZPRSA-N 0 0 157.282 2.820 10 30 AFEERN C=CCN[C@](C)(C#N)CCCCC 87648597 572644229 /nfs/dbraw/zinc/64/42/29/572644229.db2.gz UINJDCGOWRCMJS-NSHDSACASA-N 0 0 180.295 2.625 10 30 AFEERN CCCCC[C@@](C)(C#N)NC1CC1 87648445 572644289 /nfs/dbraw/zinc/64/42/89/572644289.db2.gz YGZZVENVRZGHHY-NSHDSACASA-N 0 0 180.295 2.601 10 30 AFEERN C=C(C)CC(=O)C1(CC)CC1 307644916 572644315 /nfs/dbraw/zinc/64/43/15/572644315.db2.gz WGCGXIOKSAMHFY-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CCCCC[C@@](C)(C#N)N1CCCC1 87649553 572644377 /nfs/dbraw/zinc/64/43/77/572644377.db2.gz PLGSJPLEAWAWMJ-LBPRGKRZSA-N 0 0 194.322 2.945 10 30 AFEERN C=C(CC)CC(=O)CC(C)C 85060706 572644399 /nfs/dbraw/zinc/64/43/99/572644399.db2.gz FYIIXWWQSYTUBY-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(CC)CC(=O)c1ncccc1C 85060787 572644434 /nfs/dbraw/zinc/64/44/34/572644434.db2.gz DRUVCMZBMATLLJ-UHFFFAOYSA-N 0 0 189.258 2.929 10 30 AFEERN Cc1csc(S[C@H](C)CC#N)n1 48247755 572644440 /nfs/dbraw/zinc/64/44/40/572644440.db2.gz SCUICGYBVVAVFQ-SSDOTTSWSA-N 0 0 198.316 2.846 10 30 AFEERN C[C@H](CC#N)n1cnc2ccccc21 48246977 572644513 /nfs/dbraw/zinc/64/45/13/572644513.db2.gz VNTUMLDUULQWSN-SECBINFHSA-N 0 0 185.230 2.511 10 30 AFEERN C=CC[C@@H]1C=Cc2ccccc2[C@@H]1O 307629634 572644624 /nfs/dbraw/zinc/64/46/24/572644624.db2.gz XNDMDFJDFRHCBZ-DGCLKSJQSA-N 0 0 186.254 2.939 10 30 AFEERN CC(C)CS[C@@H](C)CC#N 48247813 572644657 /nfs/dbraw/zinc/64/46/57/572644657.db2.gz ISKSVHAKCFKKHM-QMMMGPOBSA-N 0 0 157.282 2.678 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)C[C@H](C)[C@@H]1C 306426373 572644661 /nfs/dbraw/zinc/64/46/61/572644661.db2.gz IAQUJSVAMSJDFR-HAFWLYHUSA-N 0 0 194.196 2.512 10 30 AFEERN Cc1cccc(C(=O)[C@H](C)CC#N)c1 48259104 572644666 /nfs/dbraw/zinc/64/46/66/572644666.db2.gz FTBOMGWXBIORJD-SNVBAGLBSA-N 0 0 187.242 2.728 10 30 AFEERN C=C(CC)CC(=O)Cc1ccccn1 85060711 572644813 /nfs/dbraw/zinc/64/48/13/572644813.db2.gz XANRNRMEQBOOEJ-UHFFFAOYSA-N 0 0 189.258 2.550 10 30 AFEERN CCCCS[C@@H](C)CC#N 48247899 572644822 /nfs/dbraw/zinc/64/48/22/572644822.db2.gz XZZAGITZQSJGLH-QMMMGPOBSA-N 0 0 157.282 2.822 10 30 AFEERN C=C(C)C[C@@H](/C=C/CO)CC 307854939 572644841 /nfs/dbraw/zinc/64/48/41/572644841.db2.gz CTDIJJYTGSERKK-BRAIEQGRSA-N 0 0 154.253 2.527 10 30 AFEERN C=C(CC)CCC(=O)C(C)C 85059802 572645095 /nfs/dbraw/zinc/64/50/95/572645095.db2.gz PJTQRIJVGKNLGK-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(CC)CC(=O)CSCC 85060953 572645135 /nfs/dbraw/zinc/64/51/35/572645135.db2.gz HARAIFQZEWHHJN-UHFFFAOYSA-N 0 0 172.293 2.665 10 30 AFEERN CC[C@@H](C)S[C@H](C)CC#N 48247777 572645196 /nfs/dbraw/zinc/64/51/96/572645196.db2.gz SHAKLZZGLOBMEQ-HTQZYQBOSA-N 0 0 157.282 2.820 10 30 AFEERN C=C(CC)CSc1ccncc1N 85059387 572645282 /nfs/dbraw/zinc/64/52/82/572645282.db2.gz BUBYFCSHSBIHKA-UHFFFAOYSA-N 0 0 194.303 2.722 10 30 AFEERN CC[C@H](C)S[C@H](C)CC#N 48247780 572645367 /nfs/dbraw/zinc/64/53/67/572645367.db2.gz SHAKLZZGLOBMEQ-JGVFFNPUSA-N 0 0 157.282 2.820 10 30 AFEERN C=C(CC)CC(=O)CC(F)(F)F 85060756 572645438 /nfs/dbraw/zinc/64/54/38/572645438.db2.gz BAESMJXGJQVFGC-UHFFFAOYSA-N 0 0 180.169 2.864 10 30 AFEERN CCCCC[C@](C)(C#N)N1CCCC1 87649554 572645449 /nfs/dbraw/zinc/64/54/49/572645449.db2.gz PLGSJPLEAWAWMJ-GFCCVEGCSA-N 0 0 194.322 2.945 10 30 AFEERN C=C(CC)COc1cccc(O)c1 85059622 572645470 /nfs/dbraw/zinc/64/54/70/572645470.db2.gz CNHTVZJDHFIRQX-UHFFFAOYSA-N 0 0 178.231 2.737 10 30 AFEERN C=C(CC)CC(=O)c1ccccn1 85060677 572645513 /nfs/dbraw/zinc/64/55/13/572645513.db2.gz BHNJQVFXQIGFGU-UHFFFAOYSA-N 0 0 175.231 2.621 10 30 AFEERN CC#C[C@@]1(O)CCC(C)(C)C[C@@H]1C 306440614 572645648 /nfs/dbraw/zinc/64/56/48/572645648.db2.gz IDKWZCZWJWVSFX-CMPLNLGQSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(CC)C[C@H](CC)C(C)=O 85059809 572645693 /nfs/dbraw/zinc/64/56/93/572645693.db2.gz XPTQAYFGBOXHCZ-JTQLQIEISA-N 0 0 154.253 2.958 10 30 AFEERN C=C(CC)C[C@@H](C)C(=O)CC 85059909 572645860 /nfs/dbraw/zinc/64/58/60/572645860.db2.gz USEVQTCNKCHUOO-SECBINFHSA-N 0 0 154.253 2.958 10 30 AFEERN CCCCC[C@](C)(C#N)NC(C)C 87648442 572645861 /nfs/dbraw/zinc/64/58/61/572645861.db2.gz RMBOINVPTBRMCA-LLVKDONJSA-N 0 0 182.311 2.847 10 30 AFEERN C=C(CC)CC(=O)c1cccnc1 85060679 572645891 /nfs/dbraw/zinc/64/58/91/572645891.db2.gz BBRUPNNEBJPEGE-UHFFFAOYSA-N 0 0 175.231 2.621 10 30 AFEERN C=CCN[C@@](C)(C#N)CCCCC 87648598 572645970 /nfs/dbraw/zinc/64/59/70/572645970.db2.gz UINJDCGOWRCMJS-LLVKDONJSA-N 0 0 180.295 2.625 10 30 AFEERN CCCCC[C@@](C)(C#N)NCCC 87648439 572646122 /nfs/dbraw/zinc/64/61/22/572646122.db2.gz HDESSBYQVVDIQX-NSHDSACASA-N 0 0 182.311 2.849 10 30 AFEERN C=C1CCC[C@]1(C)CCCO 306427894 572646206 /nfs/dbraw/zinc/64/62/06/572646206.db2.gz JVTYUZHZORSTJA-SNVBAGLBSA-N 0 0 154.253 2.505 10 30 AFEERN C=C(C)[C@@H]1C=C[C@H](C)[C@H](C(C)=O)C1 306450439 572646219 /nfs/dbraw/zinc/64/62/19/572646219.db2.gz PORSJTCAAGJIMJ-MVWJERBFSA-N 0 0 178.275 2.980 10 30 AFEERN CC(=O)C(=O)Cc1ccc(Cl)cc1 714521964 572646246 /nfs/dbraw/zinc/64/62/46/572646246.db2.gz LRJXHIALSSPFIG-UXBLZVDNSA-N 0 0 196.633 2.828 10 30 AFEERN C=C(C)C[C@H](/C=C/CO)CC 307854945 572646347 /nfs/dbraw/zinc/64/63/47/572646347.db2.gz CTDIJJYTGSERKK-PORFMDCZSA-N 0 0 154.253 2.527 10 30 AFEERN CC(C)CS[C@H](C)CC#N 48247816 572646349 /nfs/dbraw/zinc/64/63/49/572646349.db2.gz ISKSVHAKCFKKHM-MRVPVSSYSA-N 0 0 157.282 2.678 10 30 AFEERN C=C(C)C[C@@H](/C=C\CO)CC 307854949 572646486 /nfs/dbraw/zinc/64/64/86/572646486.db2.gz CTDIJJYTGSERKK-WWQCOOJYSA-N 0 0 154.253 2.527 10 30 AFEERN CSc1ccc(O[C@H](C)C#N)cc1 70159238 572646564 /nfs/dbraw/zinc/64/65/64/572646564.db2.gz XDLMLSJYPRARMU-MRVPVSSYSA-N 0 0 193.271 2.699 10 30 AFEERN CC#C[C@]1(O)CCC[C@H](C(C)C)CC1 306411262 572646571 /nfs/dbraw/zinc/64/65/71/572646571.db2.gz KHNSYYFFLVPFSA-STQMWFEESA-N 0 0 194.318 2.977 10 30 AFEERN C=CC[C@H](O)C(C)(C)C(C)(C)C 308085491 572646678 /nfs/dbraw/zinc/64/66/78/572646678.db2.gz NOBCXCHUOJVCFT-VIFPVBQESA-N 0 0 170.296 2.996 10 30 AFEERN C=C(Cl)CSCc1cnoc1 307613757 572646718 /nfs/dbraw/zinc/64/67/18/572646718.db2.gz MJFBKTDJYUACFB-UHFFFAOYSA-N 0 0 189.667 2.660 10 30 AFEERN C=C(CC)C[C@H](O)[C@@H](C)CC 85061654 572646743 /nfs/dbraw/zinc/64/67/43/572646743.db2.gz CMAJCRUFRCRRMC-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)[C@@H](O)[C@@H]1CC2CCC1CC2 306495295 572646825 /nfs/dbraw/zinc/64/68/25/572646825.db2.gz BWFYXKYZRGKBND-KIDURHIOSA-N 0 0 180.291 2.750 10 30 AFEERN C=C(CC)C[C@@H](O)c1cc(C)ccn1 85061659 572647023 /nfs/dbraw/zinc/64/70/23/572647023.db2.gz XCFFQUJPEVVVAJ-GFCCVEGCSA-N 0 0 191.274 2.780 10 30 AFEERN C=C(CC)C[C@H](O)c1cc(C)ccn1 85061657 572647063 /nfs/dbraw/zinc/64/70/63/572647063.db2.gz XCFFQUJPEVVVAJ-LBPRGKRZSA-N 0 0 191.274 2.780 10 30 AFEERN C=C(CC)C[C@@H](O)Cc1ccccc1 85061167 572647074 /nfs/dbraw/zinc/64/70/74/572647074.db2.gz UTFLUOFNIQIMLZ-CYBMUJFWSA-N 0 0 190.286 2.946 10 30 AFEERN C=C(CC)C[C@H](O)c1ccoc1 85061674 572647079 /nfs/dbraw/zinc/64/70/79/572647079.db2.gz JVTZCHPRDZAIRV-JTQLQIEISA-N 0 0 166.220 2.669 10 30 AFEERN CSc1ccc(O[C@@H](C)C#N)cc1 70159237 572647135 /nfs/dbraw/zinc/64/71/35/572647135.db2.gz XDLMLSJYPRARMU-QMMMGPOBSA-N 0 0 193.271 2.699 10 30 AFEERN C=C(CC)C[C@@H](O)c1ccco1 85061540 572647136 /nfs/dbraw/zinc/64/71/36/572647136.db2.gz FNHLGMAOCDVAIM-SECBINFHSA-N 0 0 166.220 2.669 10 30 AFEERN C=C(CC)C[C@H](O)C1CCCC1 85061341 572647227 /nfs/dbraw/zinc/64/72/27/572647227.db2.gz JZBPNYDBKIDFBH-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C=C(CC)C[C@H](O)CSC(C)C 85061756 572647235 /nfs/dbraw/zinc/64/72/35/572647235.db2.gz DTGSKMSVJVOXED-JTQLQIEISA-N 0 0 188.336 2.845 10 30 AFEERN C=C(C)CC(=O)[C@H]1C[C@@H]1CC 307656449 572647244 /nfs/dbraw/zinc/64/72/44/572647244.db2.gz QMRYBAIZYVPUOE-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C[Si](C)(C)C)[C@H](C)CO 307648826 572647273 /nfs/dbraw/zinc/64/72/73/572647273.db2.gz FITIGFRJQHUTMR-MRVPVSSYSA-N 0 0 172.344 2.509 10 30 AFEERN CCCCC[C@]1(C)CC(=O)C=CO1 87649747 572647318 /nfs/dbraw/zinc/64/73/18/572647318.db2.gz QCCPIGXWMWPEBN-LLVKDONJSA-N 0 0 182.263 2.829 10 30 AFEERN C=C([C@@H]1CCCC[C@@H]1O)[Si](C)(C)C 307672280 572647369 /nfs/dbraw/zinc/64/73/69/572647369.db2.gz YHWWDMTUXWNTEM-QWRGUYRKSA-N 0 0 198.382 2.971 10 30 AFEERN CCCCC[C@](C)(O)[C@@H](C#N)CC 87650065 572647534 /nfs/dbraw/zinc/64/75/34/572647534.db2.gz HWZHMHHQRKNXBK-MNOVXSKESA-N 0 0 183.295 2.867 10 30 AFEERN C=C(CC)C[C@@H](O)CSCCC 85061748 572647601 /nfs/dbraw/zinc/64/76/01/572647601.db2.gz BKHZZWUWMROEQC-SNVBAGLBSA-N 0 0 188.336 2.847 10 30 AFEERN C=C(CC)C[C@@H](O)CC(C)C 85061242 572647668 /nfs/dbraw/zinc/64/76/68/572647668.db2.gz GOEBQVDWUDMBMZ-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN CCCCC[C@](C)(C#N)OCC 87649946 572647713 /nfs/dbraw/zinc/64/77/13/572647713.db2.gz QREBVMPIVRHTTO-SNVBAGLBSA-N 0 0 169.268 2.885 10 30 AFEERN C=C(COC(C)C)[Si](C)(C)C 307650944 572647740 /nfs/dbraw/zinc/64/77/40/572647740.db2.gz HXCBOYJTASXEKI-UHFFFAOYSA-N 0 0 172.344 2.845 10 30 AFEERN CCCCC[C@@](C)(O)[C@@H](C#N)CC 87650066 572647763 /nfs/dbraw/zinc/64/77/63/572647763.db2.gz HWZHMHHQRKNXBK-GHMZBOCLSA-N 0 0 183.295 2.867 10 30 AFEERN C=C(CC)C[C@@H](O)c1cccc(C)n1 85061637 572647811 /nfs/dbraw/zinc/64/78/11/572647811.db2.gz LTYHEDSDAHXNFP-GFCCVEGCSA-N 0 0 191.274 2.780 10 30 AFEERN C#C[C@@H](/C=C/C)[C@H]1CCCCC1=O 306497819 572647879 /nfs/dbraw/zinc/64/78/79/572647879.db2.gz SFNYHKAENHNRCI-RYBICEQDSA-N 0 0 176.259 2.571 10 30 AFEERN C=CC[C@](C)(C=O)/C=C/CC 307856241 572647968 /nfs/dbraw/zinc/64/79/68/572647968.db2.gz HKNVYKTTWNSNKW-PCGIRMHASA-N 0 0 152.237 2.734 10 30 AFEERN C=CC[C@@](C)(C=O)/C=C/CC 307856243 572647974 /nfs/dbraw/zinc/64/79/74/572647974.db2.gz HKNVYKTTWNSNKW-QEHWCHDUSA-N 0 0 152.237 2.734 10 30 AFEERN C=C(CC)C[C@H](O)CC(F)(F)F 85061373 572647985 /nfs/dbraw/zinc/64/79/85/572647985.db2.gz JVWNEULJQBNEQO-ZETCQYMHSA-N 0 0 182.185 2.656 10 30 AFEERN C=C(CC)C[C@@H](O)c1ccccc1N 85061714 572647999 /nfs/dbraw/zinc/64/79/99/572647999.db2.gz AEYUYOMZYSCCBJ-GFCCVEGCSA-N 0 0 191.274 2.659 10 30 AFEERN C=CCCCSCCC1(O)CC1 308085072 572648089 /nfs/dbraw/zinc/64/80/89/572648089.db2.gz NBWWQZBTDCYWMV-UHFFFAOYSA-N 0 0 186.320 2.601 10 30 AFEERN C=C(CC)C[C@H](O)c1ncccc1C 85061440 572648177 /nfs/dbraw/zinc/64/81/77/572648177.db2.gz OIFYJVPTWUYTPJ-NSHDSACASA-N 0 0 191.274 2.780 10 30 AFEERN C=C[C@@H]1CC[C@]2(C)CCCC(=O)[C@H]12 306451629 572648213 /nfs/dbraw/zinc/64/82/13/572648213.db2.gz DDOAFUQIPAOYTJ-USWWRNFRSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(CC)C[C@@H](O)c1ncccc1C 85061444 572648234 /nfs/dbraw/zinc/64/82/34/572648234.db2.gz OIFYJVPTWUYTPJ-LLVKDONJSA-N 0 0 191.274 2.780 10 30 AFEERN C=C(CC)C[C@@H](O)CC(F)(F)F 85061377 572648239 /nfs/dbraw/zinc/64/82/39/572648239.db2.gz JVWNEULJQBNEQO-SSDOTTSWSA-N 0 0 182.185 2.656 10 30 AFEERN C=C(CC)C[C@@H](O)[C@@H](C)CC 85061647 572648421 /nfs/dbraw/zinc/64/84/21/572648421.db2.gz CMAJCRUFRCRRMC-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN CCCCC[C@@](C)(O)C(C)(C)C#N 87650084 572648439 /nfs/dbraw/zinc/64/84/39/572648439.db2.gz GTTTXMWKWDDDNV-LLVKDONJSA-N 0 0 183.295 2.867 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H]2CCC(=O)[C@H]21 306464703 572648486 /nfs/dbraw/zinc/64/84/86/572648486.db2.gz NHBFXFNFXVRQFO-WCABBAIRSA-N 0 0 164.248 2.568 10 30 AFEERN C=CC[C@@H]1CC[C@H](C(C)=O)[C@H]1C 306419206 572648513 /nfs/dbraw/zinc/64/85/13/572648513.db2.gz VCONEMSMPCZKGZ-GDPRMGEGSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(CC)C[C@H](O)c1cccc(C)n1 85061634 572648546 /nfs/dbraw/zinc/64/85/46/572648546.db2.gz LTYHEDSDAHXNFP-LBPRGKRZSA-N 0 0 191.274 2.780 10 30 AFEERN C=C(CC)C[C@H](O)CSCCC 85061751 572648579 /nfs/dbraw/zinc/64/85/79/572648579.db2.gz BKHZZWUWMROEQC-JTQLQIEISA-N 0 0 188.336 2.847 10 30 AFEERN CC#CCC(=O)c1cccc(F)c1C 307666836 572648659 /nfs/dbraw/zinc/64/86/59/572648659.db2.gz NQPXTXXSRCAXCY-UHFFFAOYSA-N 0 0 190.217 2.730 10 30 AFEERN C=C(CC)C[C@H](O)[C@H](C)CC 85061650 572648682 /nfs/dbraw/zinc/64/86/82/572648682.db2.gz CMAJCRUFRCRRMC-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN CCCCC[C@](C)(O)[C@H](C#N)CC 87650063 572648736 /nfs/dbraw/zinc/64/87/36/572648736.db2.gz HWZHMHHQRKNXBK-QWRGUYRKSA-N 0 0 183.295 2.867 10 30 AFEERN C=C(CC)C[C@H](O)c1ccccc1N 85061711 572648758 /nfs/dbraw/zinc/64/87/58/572648758.db2.gz AEYUYOMZYSCCBJ-LBPRGKRZSA-N 0 0 191.274 2.659 10 30 AFEERN C=C(CC)C[C@@H](O)[C@H](C)CC 85061644 572648771 /nfs/dbraw/zinc/64/87/71/572648771.db2.gz CMAJCRUFRCRRMC-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CC[C@H](O)[C@@H](C)C=C(C)C 307664507 572648872 /nfs/dbraw/zinc/64/88/72/572648872.db2.gz YUZDFABLZOIMJO-UWVGGRQHSA-N 0 0 154.253 2.526 10 30 AFEERN C=C(CC)C[C@H](O)c1ccco1 85061538 572648909 /nfs/dbraw/zinc/64/89/09/572648909.db2.gz FNHLGMAOCDVAIM-VIFPVBQESA-N 0 0 166.220 2.669 10 30 AFEERN CCC1([C@H](O)CC#CC(C)(C)C)CC1 307615744 572648941 /nfs/dbraw/zinc/64/89/41/572648941.db2.gz QUVHSNQCIUFRKJ-LLVKDONJSA-N 0 0 194.318 2.977 10 30 AFEERN C=C(CC)C[C@@H](O)CSC(C)C 85061758 572649016 /nfs/dbraw/zinc/64/90/16/572649016.db2.gz DTGSKMSVJVOXED-SNVBAGLBSA-N 0 0 188.336 2.845 10 30 AFEERN C#C/C(C)=C/C[C@@H]1CCCCC1=O 306455231 572649097 /nfs/dbraw/zinc/64/90/97/572649097.db2.gz NJBNUAGIHAJFGM-UQSGXBNBSA-N 0 0 176.259 2.715 10 30 AFEERN C=C(CC)C[C@@H](O)c1ccoc1 85061675 572649137 /nfs/dbraw/zinc/64/91/37/572649137.db2.gz JVTZCHPRDZAIRV-SNVBAGLBSA-N 0 0 166.220 2.669 10 30 AFEERN C=C(CC)CNc1cccc(N)c1 306408307 572649189 /nfs/dbraw/zinc/64/91/89/572649189.db2.gz KSBZKUFQSVRBPW-UHFFFAOYSA-N 0 0 176.263 2.647 10 30 AFEERN CC#CCC[C@H](O)[C@H]1CCCC[C@@H]1C 307619124 572649201 /nfs/dbraw/zinc/64/92/01/572649201.db2.gz WHUPJUCCIYMVKX-AVGNSLFASA-N 0 0 194.318 2.977 10 30 AFEERN CCCCC[C@@]1(C)CC(=O)C=CO1 87649748 572649212 /nfs/dbraw/zinc/64/92/12/572649212.db2.gz QCCPIGXWMWPEBN-NSHDSACASA-N 0 0 182.263 2.829 10 30 AFEERN C=C(CC)C[C@H](O)CC(C)C 85061241 572649219 /nfs/dbraw/zinc/64/92/19/572649219.db2.gz GOEBQVDWUDMBMZ-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(CC)C[C@H](O)Cc1ccccc1 85061166 572649293 /nfs/dbraw/zinc/64/92/93/572649293.db2.gz UTFLUOFNIQIMLZ-ZDUSSCGKSA-N 0 0 190.286 2.946 10 30 AFEERN CC#C[C@@](C)(O)CCC(C)(C)C 306443001 572649344 /nfs/dbraw/zinc/64/93/44/572649344.db2.gz ZYFWPHBIOZMYAA-LLVKDONJSA-N 0 0 168.280 2.587 10 30 AFEERN C=C(CC)C[C@@H](O)C1CCCC1 85061344 572649377 /nfs/dbraw/zinc/64/93/77/572649377.db2.gz JZBPNYDBKIDFBH-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=C[C@@H]1CC[C@@H]2CC(=O)CCC[C@H]12 306433312 572649445 /nfs/dbraw/zinc/64/94/45/572649445.db2.gz WNJCBBXAOFOYAF-CKYFFXLPSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)CCC(=O)C(C)(F)F 307674129 572649525 /nfs/dbraw/zinc/64/95/25/572649525.db2.gz CKCNQWNDDJMHCK-UHFFFAOYSA-N 0 0 162.179 2.567 10 30 AFEERN C=C1[C@@H]2CCC[C@@H]3CCC(=O)[C@@H]1[C@@H]32 306446293 572649622 /nfs/dbraw/zinc/64/96/22/572649622.db2.gz AXOSRCJENGPHIP-DMWPJOQESA-N 0 0 176.259 2.568 10 30 AFEERN CCCCC[C@@](C)(C#N)OCC 87649945 572649646 /nfs/dbraw/zinc/64/96/46/572649646.db2.gz QREBVMPIVRHTTO-JTQLQIEISA-N 0 0 169.268 2.885 10 30 AFEERN CCCCC[C@@](C)(O)[C@H](C#N)CC 87650064 572649716 /nfs/dbraw/zinc/64/97/16/572649716.db2.gz HWZHMHHQRKNXBK-WDEREUQCSA-N 0 0 183.295 2.867 10 30 AFEERN C=C(CC)C[C@@H](C)CC(C)=O 85070847 572649911 /nfs/dbraw/zinc/64/99/11/572649911.db2.gz FITLBARHXFQFPU-SECBINFHSA-N 0 0 154.253 2.958 10 30 AFEERN CC[C@H](C)C[C@H](C=O)C(C)C 116045063 572649916 /nfs/dbraw/zinc/64/99/16/572649916.db2.gz CKMHCCKMVWJBQK-VHSXEESVSA-N 0 0 156.269 2.894 10 30 AFEERN C=C(CC)CCC[C@@H](O)CC 85071246 572650008 /nfs/dbraw/zinc/65/00/08/572650008.db2.gz BMPHIWGCKFFWEL-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN C=C(C)C[C@H](O)[C@H]1CC1(Cl)Cl 306434551 572650241 /nfs/dbraw/zinc/65/02/41/572650241.db2.gz APVFVWBUIZJNCL-RQJHMYQMSA-N 0 0 195.089 2.507 10 30 AFEERN C=C(CC)C[C@@H](CC)[C@H](C)O 85064554 572650266 /nfs/dbraw/zinc/65/02/66/572650266.db2.gz IHNJYXDRSPWOQT-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN CC[C@@H](C)C[C@@H](C=O)C(C)C 116045057 572650310 /nfs/dbraw/zinc/65/03/10/572650310.db2.gz CKMHCCKMVWJBQK-ZJUUUORDSA-N 0 0 156.269 2.894 10 30 AFEERN C[C@@H](C#N)Oc1ccc(F)c(Cl)c1 70168499 572650346 /nfs/dbraw/zinc/65/03/46/572650346.db2.gz QZWBVUBWPJXCMZ-LURJTMIESA-N 0 0 199.612 2.770 10 30 AFEERN C=C(C)CC(=O)CC1(C)CC1 307663564 572650431 /nfs/dbraw/zinc/65/04/31/572650431.db2.gz XJLGXDJFBXJOTH-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(CC)C[C@@H](C(C)C)[C@@H](C)O 85064697 572650541 /nfs/dbraw/zinc/65/05/41/572650541.db2.gz APVXQRBWFFRRQL-MNOVXSKESA-N 0 0 170.296 2.996 10 30 AFEERN Cc1ccc(OCC2CC2)cc1C#N 116049110 572650547 /nfs/dbraw/zinc/65/05/47/572650547.db2.gz AXNGXZDVIPLLJX-UHFFFAOYSA-N 0 0 187.242 2.656 10 30 AFEERN C=C(CC)CC[C@H](O)C1CC1 85064710 572650655 /nfs/dbraw/zinc/65/06/55/572650655.db2.gz BUOJMCXFLRXSGN-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN C=CC(C)(C)Nc1ccnc(Cl)n1 221507733 572650756 /nfs/dbraw/zinc/65/07/56/572650756.db2.gz XYPCOPWJESVLRT-UHFFFAOYSA-N 0 0 197.669 2.507 10 30 AFEERN CC1=CC(C)(C)[C@@](C)(C=O)CC1 196906439 572650836 /nfs/dbraw/zinc/65/08/36/572650836.db2.gz WFYWMIMAZIXIQK-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC)C[C@@H](C)C[C@@H](C)O 85071266 572650846 /nfs/dbraw/zinc/65/08/46/572650846.db2.gz IZHVDFNKGVKKHX-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(CC)CC[C@H](O)CCC 85064559 572651062 /nfs/dbraw/zinc/65/10/62/572651062.db2.gz UEWCTJNCFFKRGQ-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN CC[C@H](C)CSCC[C@H]1CO1 307857437 572651122 /nfs/dbraw/zinc/65/11/22/572651122.db2.gz FHIYBWHHFOLKMB-IUCAKERBSA-N 0 0 174.309 2.555 10 30 AFEERN CCC(CC)=NOC/C=C/Cl 307863492 572661122 /nfs/dbraw/zinc/66/11/22/572661122.db2.gz IBLKHEFIMQVASP-AATRIKPKSA-N 0 0 175.659 2.932 10 30 AFEERN C=C(CC)CC[C@H](O)C(C)C 85064575 572651184 /nfs/dbraw/zinc/65/11/84/572651184.db2.gz IAPSNWVMRAJTPF-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN C=C1CCC[C@@]1(C)CCCO 306461989 572651198 /nfs/dbraw/zinc/65/11/98/572651198.db2.gz JVTYUZHZORSTJA-JTQLQIEISA-N 0 0 154.253 2.505 10 30 AFEERN C=CCCCCCC(=O)C(F)F 236125023 572651228 /nfs/dbraw/zinc/65/12/28/572651228.db2.gz DZKPDYJAIYEJOR-UHFFFAOYSA-N 0 0 176.206 2.957 10 30 AFEERN C=C(CC)COc1ccc(N)cc1 85064498 572651310 /nfs/dbraw/zinc/65/13/10/572651310.db2.gz ZEVCUDIHTXPKEX-UHFFFAOYSA-N 0 0 177.247 2.614 10 30 AFEERN C=C(CC)C[C@H](C)[C@@H](O)CC 85064717 572651386 /nfs/dbraw/zinc/65/13/86/572651386.db2.gz PAEKVBSHWFIOQR-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(CC)C[C@@H](CC)[C@@H](C)O 85064549 572651452 /nfs/dbraw/zinc/65/14/52/572651452.db2.gz IHNJYXDRSPWOQT-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCSc1nc(C)c(C)c(C)n1 306437695 572651461 /nfs/dbraw/zinc/65/14/61/572651461.db2.gz MFQLNIWDQNRUJB-UHFFFAOYSA-N 0 0 194.303 2.680 10 30 AFEERN C=C(CC)CCc1cccnc1N 85070662 572651546 /nfs/dbraw/zinc/65/15/46/572651546.db2.gz XDDDCEBYAILUQH-UHFFFAOYSA-N 0 0 176.263 2.563 10 30 AFEERN C=C(CC)C[C@@H](C(C)C)[C@H](C)O 85064705 572651579 /nfs/dbraw/zinc/65/15/79/572651579.db2.gz APVXQRBWFFRRQL-QWRGUYRKSA-N 0 0 170.296 2.996 10 30 AFEERN C=C(CC)CC[C@@H](O)C(C)C 85064578 572651661 /nfs/dbraw/zinc/65/16/61/572651661.db2.gz IAPSNWVMRAJTPF-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=C[C@@H]1C[C@H](C(=C)C)CC(=O)[C@H]1C 306444432 572651704 /nfs/dbraw/zinc/65/17/04/572651704.db2.gz RMKKSTKKOPUZKR-AXFHLTTASA-N 0 0 178.275 2.980 10 30 AFEERN C=C(CC)CCC[C@H](O)C1CC1 85071253 572651752 /nfs/dbraw/zinc/65/17/52/572651752.db2.gz SHEWJIOEXFGBIW-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C=C(CC)COc1ccccc1N 85064499 572651846 /nfs/dbraw/zinc/65/18/46/572651846.db2.gz CEYVTEKFTIXPLJ-UHFFFAOYSA-N 0 0 177.247 2.614 10 30 AFEERN CSc1scc(C)c1C#N 74330873 572651887 /nfs/dbraw/zinc/65/18/87/572651887.db2.gz ZBGZRUARGYIEKP-UHFFFAOYSA-N 0 0 169.274 2.650 10 30 AFEERN CC1=CC(C)(C)[C@](C)(C=O)CC1 196906452 572651940 /nfs/dbraw/zinc/65/19/40/572651940.db2.gz WFYWMIMAZIXIQK-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC)C[C@@H](C)[C@H](O)CC 85064727 572651951 /nfs/dbraw/zinc/65/19/51/572651951.db2.gz PAEKVBSHWFIOQR-NXEZZACHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(CC)C[C@H](C(C)C)[C@@H](C)O 85064702 572651975 /nfs/dbraw/zinc/65/19/75/572651975.db2.gz APVXQRBWFFRRQL-GHMZBOCLSA-N 0 0 170.296 2.996 10 30 AFEERN CC#C[C@@]1(O)CCC[C@@H](C(C)C)CC1 306411259 572652027 /nfs/dbraw/zinc/65/20/27/572652027.db2.gz KHNSYYFFLVPFSA-CHWSQXEVSA-N 0 0 194.318 2.977 10 30 AFEERN C=C(CC)CC[C@@H](O)CCC 85064558 572651916 /nfs/dbraw/zinc/65/19/16/572651916.db2.gz UEWCTJNCFFKRGQ-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN CC[C@@H](C)CSCC[C@H]1CO1 307857434 572652120 /nfs/dbraw/zinc/65/21/20/572652120.db2.gz FHIYBWHHFOLKMB-BDAKNGLRSA-N 0 0 174.309 2.555 10 30 AFEERN CC[C@@](C)(O)C#Cc1ccc(C)s1 306479877 572652186 /nfs/dbraw/zinc/65/21/86/572652186.db2.gz KMDZEADFKRBTDF-LLVKDONJSA-N 0 0 194.299 2.569 10 30 AFEERN C=CC[C@@H](C(C)=O)/C(C)=C/C 307646994 572652395 /nfs/dbraw/zinc/65/23/95/572652395.db2.gz CDIJYCBGOPPLIO-QEHWCHDUSA-N 0 0 152.237 2.734 10 30 AFEERN N#Cc1cncc2c1-c1ccccc1C2 116008889 572652429 /nfs/dbraw/zinc/65/24/29/572652429.db2.gz YBHXPQHGPBODAL-UHFFFAOYSA-N 0 0 192.221 2.524 10 30 AFEERN C=C(CC)C[C@H](C)CC(C)=O 85070850 572652467 /nfs/dbraw/zinc/65/24/67/572652467.db2.gz FITLBARHXFQFPU-VIFPVBQESA-N 0 0 154.253 2.958 10 30 AFEERN C=C(CC)CCC[C@H](O)CC 85071248 572652473 /nfs/dbraw/zinc/65/24/73/572652473.db2.gz BMPHIWGCKFFWEL-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN CC[C@@H](C)C[C@H](C=O)C(C)C 116045061 572652485 /nfs/dbraw/zinc/65/24/85/572652485.db2.gz CKMHCCKMVWJBQK-NXEZZACHSA-N 0 0 156.269 2.894 10 30 AFEERN C=CC[C@@H]1C(=O)[C@H]2CCCC[C@@H]12 221506247 572652534 /nfs/dbraw/zinc/65/25/34/572652534.db2.gz TWWFWZSXAWTSAZ-GUBZILKMSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(c1ccco1)C(F)(F)F 306431769 572654547 /nfs/dbraw/zinc/65/45/47/572654547.db2.gz UTVLIYPBGHRTRH-UHFFFAOYSA-N 0 0 162.110 2.855 10 30 AFEERN CC[C@@H](C)CSCC[C@@H]1CO1 307857439 572652581 /nfs/dbraw/zinc/65/25/81/572652581.db2.gz FHIYBWHHFOLKMB-RKDXNWHRSA-N 0 0 174.309 2.555 10 30 AFEERN C=C(CC)C[C@H](CC)[C@H](C)O 85064551 572652602 /nfs/dbraw/zinc/65/26/02/572652602.db2.gz IHNJYXDRSPWOQT-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN CC[C@H](C)C[C@@H](C=O)C(C)C 116045060 572652619 /nfs/dbraw/zinc/65/26/19/572652619.db2.gz CKMHCCKMVWJBQK-UWVGGRQHSA-N 0 0 156.269 2.894 10 30 AFEERN C=C(CC)C[C@@H](C)[C@@H](O)CC 85064722 572652790 /nfs/dbraw/zinc/65/27/90/572652790.db2.gz PAEKVBSHWFIOQR-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(CC)C[C@@H](C)C[C@H](C)O 85071269 572652831 /nfs/dbraw/zinc/65/28/31/572652831.db2.gz IZHVDFNKGVKKHX-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(CC)C[C@H](C)C[C@@H](C)O 85071268 572652836 /nfs/dbraw/zinc/65/28/36/572652836.db2.gz IZHVDFNKGVKKHX-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(CC)C[C@H](CC)[C@@H](C)O 85064546 572652869 /nfs/dbraw/zinc/65/28/69/572652869.db2.gz IHNJYXDRSPWOQT-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(CC)CC[C@@H](O)C1CC1 85064712 572652879 /nfs/dbraw/zinc/65/28/79/572652879.db2.gz BUOJMCXFLRXSGN-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(CC)C[C@H](C)C[C@H](C)O 85071271 572652888 /nfs/dbraw/zinc/65/28/88/572652888.db2.gz IZHVDFNKGVKKHX-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(CC)C[C@H](C(C)C)[C@H](C)O 85064708 572653003 /nfs/dbraw/zinc/65/30/03/572653003.db2.gz APVXQRBWFFRRQL-WDEREUQCSA-N 0 0 170.296 2.996 10 30 AFEERN C=CC[C@H](C)C/C=C/[C@@H](C)O 238380067 572653102 /nfs/dbraw/zinc/65/31/02/572653102.db2.gz WCKXKABPLQFZAL-AIYFBYTFSA-N 0 0 154.253 2.526 10 30 AFEERN C=C(C)[C@@](C)(O)c1ccsc1 307610894 572653199 /nfs/dbraw/zinc/65/31/99/572653199.db2.gz IVWRPNXGRBTTAX-SECBINFHSA-N 0 0 168.261 2.532 10 30 AFEERN C=C[C@@H](C)C[C@H](O)/C(C)=C\C 307649959 572653274 /nfs/dbraw/zinc/65/32/74/572653274.db2.gz GTEBFRIDFXESLN-FREYXMNSSA-N 0 0 154.253 2.526 10 30 AFEERN C[C@H](C#N)Oc1ccc(F)c(Cl)c1 70168500 572653527 /nfs/dbraw/zinc/65/35/27/572653527.db2.gz QZWBVUBWPJXCMZ-ZCFIWIBFSA-N 0 0 199.612 2.770 10 30 AFEERN CCCC[C@H](CC)C[C@](C)(O)C=O 85074510 572653658 /nfs/dbraw/zinc/65/36/58/572653658.db2.gz UQQJAFWTIDVYSA-QWRGUYRKSA-N 0 0 186.295 2.543 10 30 AFEERN CCCC[C@@H](CC)C[C@](C)(O)C=O 85074508 572653703 /nfs/dbraw/zinc/65/37/03/572653703.db2.gz UQQJAFWTIDVYSA-MNOVXSKESA-N 0 0 186.295 2.543 10 30 AFEERN C#CC(C)(C)Nc1cccc(C)c1 221510387 572653791 /nfs/dbraw/zinc/65/37/91/572653791.db2.gz ZDFBFNVEEVXHMP-UHFFFAOYSA-N 0 0 173.259 2.819 10 30 AFEERN C=CC(=O)CSc1ccc(C)cc1 85100801 572653867 /nfs/dbraw/zinc/65/38/67/572653867.db2.gz JEQUHSUXDHJTFG-UHFFFAOYSA-N 0 0 192.283 2.842 10 30 AFEERN C=C(C)C[C@@H]1C(=O)CC[C@@H]1C 221503969 572653906 /nfs/dbraw/zinc/65/39/06/572653906.db2.gz OXQDDKYKZYKWGW-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN CCCC[C@@H](CC)C[C@@](C)(O)C=O 85074511 572654045 /nfs/dbraw/zinc/65/40/45/572654045.db2.gz UQQJAFWTIDVYSA-GHMZBOCLSA-N 0 0 186.295 2.543 10 30 AFEERN C=C[C@@H]1C(=O)[C@@H](C)CC[C@H]1C(=C)C 306475352 572656051 /nfs/dbraw/zinc/65/60/51/572656051.db2.gz XMWKIUMXXZSZQJ-DCAQKATOSA-N 0 0 178.275 2.980 10 30 AFEERN C=C(C)[C@@H]1CC[C@H]2CCC(=O)[C@H]21 306464702 572654216 /nfs/dbraw/zinc/65/42/16/572654216.db2.gz NHBFXFNFXVRQFO-ATZCPNFKSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(CC)/C(=C\C)CCC=O 307861507 572654261 /nfs/dbraw/zinc/65/42/61/572654261.db2.gz MXRKXASNYMNIDB-YHYXMXQVSA-N 0 0 152.237 2.878 10 30 AFEERN C[C@@H]1CC(C)(C)C[C@@]12CC(=O)C=CO2 235285394 572654519 /nfs/dbraw/zinc/65/45/19/572654519.db2.gz HLVPMCOMTDWZLJ-SKDRFNHKSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H]1C=Cc2ccccc2[C@@H]1CO 306454082 572654779 /nfs/dbraw/zinc/65/47/79/572654779.db2.gz YYLFUQWQBFVJAL-GXFFZTMASA-N 0 0 186.254 2.592 10 30 AFEERN C=C(C)C[C@@H](O)CC1(C)CC1 307652221 572654945 /nfs/dbraw/zinc/65/49/45/572654945.db2.gz JNQYJRBNSIQRNR-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)C[C@H]1C(=O)CC[C@@H]1C 221503913 572654953 /nfs/dbraw/zinc/65/49/53/572654953.db2.gz OXQDDKYKZYKWGW-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCCC/C=C/CCC=O 307858868 572657684 /nfs/dbraw/zinc/65/76/84/572657684.db2.gz INCUADDKTZVEMH-VOTSOKGWSA-N 0 0 152.237 2.878 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@H](O)C[C@@H]12 306451559 572655058 /nfs/dbraw/zinc/65/50/58/572655058.db2.gz CLPPFTDAGSFPIK-SDDRHHMPSA-N 0 0 180.291 2.894 10 30 AFEERN C=C(Cl)C[N@H+]1CC[C@@H](CC)[C@H]1C 306473001 572657686 /nfs/dbraw/zinc/65/76/86/572657686.db2.gz DABXGQCIILWAOY-NXEZZACHSA-N 0 0 187.714 2.859 10 30 AFEERN C[C@H]1Cc2ccc(Cl)cc2C1=NO 714522181 572655116 /nfs/dbraw/zinc/65/51/16/572655116.db2.gz OJQHYMZZJRVRAN-LURJTMIESA-N 0 0 195.649 2.711 10 30 AFEERN CC(C)(C)SCCC[C@H]1CO1 307861780 572655144 /nfs/dbraw/zinc/65/51/44/572655144.db2.gz HHWMUKPZTKAZAL-QMMMGPOBSA-N 0 0 174.309 2.697 10 30 AFEERN CC[Si](C)(/C=C/CC=O)CC 307857691 572655347 /nfs/dbraw/zinc/65/53/47/572655347.db2.gz HCVXNQQDMGRKTB-VQHVLOKHSA-N 0 0 170.328 2.789 10 30 AFEERN C=C/C=C(\F)C(=O)CCCC 307861960 572655483 /nfs/dbraw/zinc/65/54/83/572655483.db2.gz JMRQETOFVMAENR-VURMDHGXSA-N 0 0 156.200 2.785 10 30 AFEERN CCCC[C@H](CC)C[C@@](C)(O)C=O 85074513 572655582 /nfs/dbraw/zinc/65/55/82/572655582.db2.gz UQQJAFWTIDVYSA-WDEREUQCSA-N 0 0 186.295 2.543 10 30 AFEERN C#CC(C)(C)Nc1ccccc1C 221510215 572655797 /nfs/dbraw/zinc/65/57/97/572655797.db2.gz KZRBBGRRUXDUJN-UHFFFAOYSA-N 0 0 173.259 2.819 10 30 AFEERN C=CC(=O)CSc1ccccc1F 85084823 572655963 /nfs/dbraw/zinc/65/59/63/572655963.db2.gz JKMDIVBPGCLKKG-UHFFFAOYSA-N 0 0 196.246 2.673 10 30 AFEERN C=CC[C@@H]1C(=O)[C@H]2CCCC[C@H]12 221506347 572656032 /nfs/dbraw/zinc/65/60/32/572656032.db2.gz TWWFWZSXAWTSAZ-UTLUCORTSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@H]1Cc2ccc(Cl)cc2C1=NO 714522276 572656058 /nfs/dbraw/zinc/65/60/58/572656058.db2.gz OJQHYMZZJRVRAN-ZCFIWIBFSA-N 0 0 195.649 2.711 10 30 AFEERN Cc1ccc(-c2ccc(C#N)cc2N)o1 96601667 572656121 /nfs/dbraw/zinc/65/61/21/572656121.db2.gz VJDREIMKBRSRNV-UHFFFAOYSA-N 0 0 198.225 2.709 10 30 AFEERN C=CC(=O)CSc1ccc(F)cc1 85100330 572656265 /nfs/dbraw/zinc/65/62/65/572656265.db2.gz MRHHTVAPPYBIAH-UHFFFAOYSA-N 0 0 196.246 2.673 10 30 AFEERN CCON=Cc1cc(Cl)cs1 307855891 572656915 /nfs/dbraw/zinc/65/69/15/572656915.db2.gz CLRBQHXEXVMWBQ-UHFFFAOYSA-N 0 0 189.667 2.772 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)C[C@@H](C)[C@@H]1C 306426372 572656974 /nfs/dbraw/zinc/65/69/74/572656974.db2.gz IAQUJSVAMSJDFR-CHKWXVPMSA-N 0 0 194.196 2.512 10 30 AFEERN CC(C)C/C=C/CC[C@@H]1CO1 307858945 572657729 /nfs/dbraw/zinc/65/77/29/572657729.db2.gz HBZQWZRMETUPQN-HMDXOVGESA-N 0 0 154.253 2.768 10 30 AFEERN O=C1CCCCCCC=C1F 307858811 572657534 /nfs/dbraw/zinc/65/75/34/572657534.db2.gz KKMWNKYNWLFUMG-UHFFFAOYSA-N 0 0 156.200 2.763 10 30 AFEERN CCc1ccc(C#N)c2c1C(=O)CCC2 714119489 572657773 /nfs/dbraw/zinc/65/77/73/572657773.db2.gz CUPLGZFAUAVGKD-UHFFFAOYSA-N 0 0 199.253 2.640 10 30 AFEERN C=C(C)[C@H]1CC=C(C)[C@@H](O)C1(C)C 306420532 572657893 /nfs/dbraw/zinc/65/78/93/572657893.db2.gz ZZHPNGNMPNWJST-GHMZBOCLSA-N 0 0 180.291 2.916 10 30 AFEERN CCO[C@@H](C#N)[C@H](C)c1ccccc1 85090370 572659512 /nfs/dbraw/zinc/65/95/12/572659512.db2.gz ABPJPVIBQCYWFJ-PWSUYJOCSA-N 0 0 189.258 2.719 10 30 AFEERN C=C1C[C@@H]1C(=O)c1ccc(F)cc1 221500586 572657957 /nfs/dbraw/zinc/65/79/57/572657957.db2.gz SXZSHJJDGBLSKV-JTQLQIEISA-N 0 0 176.190 2.585 10 30 AFEERN CC[C@@H](C)ON=CCC(C)C 307857751 572658048 /nfs/dbraw/zinc/65/80/48/572658048.db2.gz DICPDEFVFAZXFQ-SECBINFHSA-N 0 0 157.257 2.833 10 30 AFEERN CC(C)C/C=C/CC[C@H]1CO1 307858944 572658158 /nfs/dbraw/zinc/65/81/58/572658158.db2.gz HBZQWZRMETUPQN-FSIBCCDJSA-N 0 0 154.253 2.768 10 30 AFEERN Cc1ccc(NC2=CCCC2=O)cc1 196918239 572658357 /nfs/dbraw/zinc/65/83/57/572658357.db2.gz VIEJWJAKTUXTRX-UHFFFAOYSA-N 0 0 187.242 2.654 10 30 AFEERN CC[C@H](C)C[C@@](C#N)(CC)OC 85091013 572658418 /nfs/dbraw/zinc/65/84/18/572658418.db2.gz XPFCNPCRIOZKPM-VHSXEESVSA-N 0 0 169.268 2.741 10 30 AFEERN CC[C@@H](C)C[C@](C#N)(CC)OC 85091010 572659541 /nfs/dbraw/zinc/65/95/41/572659541.db2.gz XPFCNPCRIOZKPM-ZJUUUORDSA-N 0 0 169.268 2.741 10 30 AFEERN CO[C@@](C)(C#N)CCc1ccccc1 85090852 572658507 /nfs/dbraw/zinc/65/85/07/572658507.db2.gz XNCDPEMECZQVSN-GFCCVEGCSA-N 0 0 189.258 2.548 10 30 AFEERN CCO[C@@H](C#N)c1ccc(CC)cc1 85090588 572658638 /nfs/dbraw/zinc/65/86/38/572658638.db2.gz JPMGSUUOAVRJBK-LBPRGKRZSA-N 0 0 189.258 2.850 10 30 AFEERN CC[C@H](C)C[C@](C#N)(CC)OC 85091011 572658669 /nfs/dbraw/zinc/65/86/69/572658669.db2.gz XPFCNPCRIOZKPM-UWVGGRQHSA-N 0 0 169.268 2.741 10 30 AFEERN CO[C@@H](C#N)C[C@@H](C)c1ccccc1 85090992 572658723 /nfs/dbraw/zinc/65/87/23/572658723.db2.gz JOAATYYOYQVNFY-ZYHUDNBSSA-N 0 0 189.258 2.719 10 30 AFEERN CC[C@H](C)ON=CCC(C)C 307857752 572658801 /nfs/dbraw/zinc/65/88/01/572658801.db2.gz DICPDEFVFAZXFQ-VIFPVBQESA-N 0 0 157.257 2.833 10 30 AFEERN CCO[C@@H](C#N)CCc1ccccc1 85090572 572658811 /nfs/dbraw/zinc/65/88/11/572658811.db2.gz SUWOSQJPGCNOMH-GFCCVEGCSA-N 0 0 189.258 2.548 10 30 AFEERN C=C(C)C[C@]1(C)CC[C@H]2C[C@H]2C1=O 306439140 572658813 /nfs/dbraw/zinc/65/88/13/572658813.db2.gz NSGHIRSFSHWFSX-UMNHJUIQSA-N 0 0 178.275 2.958 10 30 AFEERN CC#CC1(O)CCC2(CCCC2)CC1 306484785 572658815 /nfs/dbraw/zinc/65/88/15/572658815.db2.gz NJZGCAATCMRZMP-UHFFFAOYSA-N 0 0 192.302 2.875 10 30 AFEERN CCO[C@H](C#N)CCc1ccccc1 85090570 572658832 /nfs/dbraw/zinc/65/88/32/572658832.db2.gz SUWOSQJPGCNOMH-LBPRGKRZSA-N 0 0 189.258 2.548 10 30 AFEERN CCCCCC[C@H](C#N)OCC 85090379 572658862 /nfs/dbraw/zinc/65/88/62/572658862.db2.gz RXAJASBMMOPWHZ-SNVBAGLBSA-N 0 0 169.268 2.885 10 30 AFEERN Cc1ccc(N(C)CCC#N)c(C)c1 48346127 572658868 /nfs/dbraw/zinc/65/88/68/572658868.db2.gz UBLBRFHVYZRVOB-UHFFFAOYSA-N 0 0 188.274 2.653 10 30 AFEERN CC1=CCCCCCCC1=O 307859553 572658891 /nfs/dbraw/zinc/65/88/91/572658891.db2.gz KRFNOXQWWIAVBE-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CCO[C@@](C)(C#N)CCC(C)C 85090583 572658893 /nfs/dbraw/zinc/65/88/93/572658893.db2.gz AFGNKSNXOQUVOW-SNVBAGLBSA-N 0 0 169.268 2.741 10 30 AFEERN C=C(C)Cc1ccc(OC)cc1C=O 238381434 572658894 /nfs/dbraw/zinc/65/88/94/572658894.db2.gz SLANQXSWSBNZRC-UHFFFAOYSA-N 0 0 190.242 2.626 10 30 AFEERN C=C[C@H]1C=Cc2ccccc2[C@@H]1O 307607206 572659573 /nfs/dbraw/zinc/65/95/73/572659573.db2.gz BOOJYNXYPINJJN-JOYOIKCWSA-N 0 0 172.227 2.549 10 30 AFEERN CCC(CC)=NOCC(C)C 307858558 572658996 /nfs/dbraw/zinc/65/89/96/572658996.db2.gz DTGFOCSGYAZAHE-UHFFFAOYSA-N 0 0 157.257 2.835 10 30 AFEERN CCCCCC[C@@H](C#N)OCC 85090378 572659097 /nfs/dbraw/zinc/65/90/97/572659097.db2.gz RXAJASBMMOPWHZ-JTQLQIEISA-N 0 0 169.268 2.885 10 30 AFEERN CO[C@H](C#N)C[C@@H](C)c1ccccc1 85090990 572659182 /nfs/dbraw/zinc/65/91/82/572659182.db2.gz JOAATYYOYQVNFY-PWSUYJOCSA-N 0 0 189.258 2.719 10 30 AFEERN CO[C@@H](C#N)C[C@H](C)c1ccccc1 85090991 572659276 /nfs/dbraw/zinc/65/92/76/572659276.db2.gz JOAATYYOYQVNFY-CMPLNLGQSA-N 0 0 189.258 2.719 10 30 AFEERN C=C1[C@H]([C@@H](O)C(C)C)[C@@H]1C(C)(C)C 307687163 572659419 /nfs/dbraw/zinc/65/94/19/572659419.db2.gz DNOGMZCKYWFIFR-AXFHLTTASA-N 0 0 182.307 2.852 10 30 AFEERN CCO[C@](C)(C#N)Cc1ccccc1 85090600 572659434 /nfs/dbraw/zinc/65/94/34/572659434.db2.gz BKTNQVHREVGCME-LBPRGKRZSA-N 0 0 189.258 2.548 10 30 AFEERN C=CCC/C=C/CC[C@@H](C)O 238381643 572659779 /nfs/dbraw/zinc/65/97/79/572659779.db2.gz CYUJAPWWJZKLFA-VQCYPWCPSA-N 0 0 154.253 2.670 10 30 AFEERN CCO[C@@](C)(C#N)Cc1ccccc1 85090601 572659922 /nfs/dbraw/zinc/65/99/22/572659922.db2.gz BKTNQVHREVGCME-GFCCVEGCSA-N 0 0 189.258 2.548 10 30 AFEERN CC[C@@H](C)C[C@@](C#N)(CC)OC 85091012 572660220 /nfs/dbraw/zinc/66/02/20/572660220.db2.gz XPFCNPCRIOZKPM-NXEZZACHSA-N 0 0 169.268 2.741 10 30 AFEERN CCC(CC)=NOC/C=C\Cl 307863493 572660607 /nfs/dbraw/zinc/66/06/07/572660607.db2.gz IBLKHEFIMQVASP-WAYWQWQTSA-N 0 0 175.659 2.932 10 30 AFEERN CCC(=NO)c1cccc(C)c1 393324880 572660613 /nfs/dbraw/zinc/66/06/13/572660613.db2.gz XEKWHWNPOIVILA-UHFFFAOYSA-N 0 0 163.220 2.583 10 30 AFEERN CO[C@](C)(C#N)CCc1ccccc1 85090853 572660668 /nfs/dbraw/zinc/66/06/68/572660668.db2.gz XNCDPEMECZQVSN-LBPRGKRZSA-N 0 0 189.258 2.548 10 30 AFEERN C=C(C)[C@H](O)[C@H]1CC2CCC1CC2 306495297 572660701 /nfs/dbraw/zinc/66/07/01/572660701.db2.gz BWFYXKYZRGKBND-QQFIATSDSA-N 0 0 180.291 2.750 10 30 AFEERN CCO[C@@H](C#N)c1ccccc1CC 85090709 572660733 /nfs/dbraw/zinc/66/07/33/572660733.db2.gz LDWSBPRZOVEKLU-LBPRGKRZSA-N 0 0 189.258 2.850 10 30 AFEERN C=C[C@@]1(CC)CCCC[C@@H]1O 306462836 572660741 /nfs/dbraw/zinc/66/07/41/572660741.db2.gz KXQISWIFLLKPEX-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN C=C1C[C@H]1C(=O)c1ccc(F)cc1 221500645 572660854 /nfs/dbraw/zinc/66/08/54/572660854.db2.gz SXZSHJJDGBLSKV-SNVBAGLBSA-N 0 0 176.190 2.585 10 30 AFEERN CCCC[C@](C#N)(CC)OCC 85090394 572660921 /nfs/dbraw/zinc/66/09/21/572660921.db2.gz TUEBKOSRETWUEY-JTQLQIEISA-N 0 0 169.268 2.885 10 30 AFEERN CCO[C@@H](C#N)c1ccc(CC)s1 85090536 572660935 /nfs/dbraw/zinc/66/09/35/572660935.db2.gz TVGMVRCKGYUTCH-VIFPVBQESA-N 0 0 195.287 2.912 10 30 AFEERN C=C[C@H](C)C[C@@H](O)/C(C)=C\C 307649960 572660947 /nfs/dbraw/zinc/66/09/47/572660947.db2.gz GTEBFRIDFXESLN-PKKHPGAQSA-N 0 0 154.253 2.526 10 30 AFEERN C=C1C[C@H]1C(=O)c1ccc(C)cc1 221500313 572661567 /nfs/dbraw/zinc/66/15/67/572661567.db2.gz NKFGRAIQUDQNCA-LLVKDONJSA-N 0 0 172.227 2.754 10 30 AFEERN CCCC[C@@](C#N)(CC)OCC 85090395 572661105 /nfs/dbraw/zinc/66/11/05/572661105.db2.gz TUEBKOSRETWUEY-SNVBAGLBSA-N 0 0 169.268 2.885 10 30 AFEERN CCO[C@](C)(C#N)CCC(C)C 85090582 572661304 /nfs/dbraw/zinc/66/13/04/572661304.db2.gz AFGNKSNXOQUVOW-JTQLQIEISA-N 0 0 169.268 2.741 10 30 AFEERN C=C[C@@](O)(CCC)C(C)(C)C 307664279 572661318 /nfs/dbraw/zinc/66/13/18/572661318.db2.gz YSRUPOAXOIWIOI-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCNc1nc([C@H]2C[C@@H]2C)cs1 306491722 572661348 /nfs/dbraw/zinc/66/13/48/572661348.db2.gz WKILQARAVWPHQL-YUMQZZPRSA-N 0 0 194.303 2.864 10 30 AFEERN CCO[C@@H](C#N)[C@@H](C)c1ccccc1 85090368 572661451 /nfs/dbraw/zinc/66/14/51/572661451.db2.gz ABPJPVIBQCYWFJ-JQWIXIFHSA-N 0 0 189.258 2.719 10 30 AFEERN CCO[C@H](C#N)c1ccc(CC)s1 85090535 572661456 /nfs/dbraw/zinc/66/14/56/572661456.db2.gz TVGMVRCKGYUTCH-SECBINFHSA-N 0 0 195.287 2.912 10 30 AFEERN CCO[C@H](C#N)[C@H](C)c1ccccc1 85090371 572661465 /nfs/dbraw/zinc/66/14/65/572661465.db2.gz ABPJPVIBQCYWFJ-ZYHUDNBSSA-N 0 0 189.258 2.719 10 30 AFEERN C[C@@H](O)c1cc(C#N)cc2ccccc12 238383470 572661466 /nfs/dbraw/zinc/66/14/66/572661466.db2.gz RWDHKZYFVFHVBP-SECBINFHSA-N 0 0 197.237 2.765 10 30 AFEERN CCO[C@H](C#N)c1ccccc1CC 85090708 572661633 /nfs/dbraw/zinc/66/16/33/572661633.db2.gz LDWSBPRZOVEKLU-GFCCVEGCSA-N 0 0 189.258 2.850 10 30 AFEERN CO[C@H](C#N)C[C@H](C)c1ccccc1 85090989 572661680 /nfs/dbraw/zinc/66/16/80/572661680.db2.gz JOAATYYOYQVNFY-JQWIXIFHSA-N 0 0 189.258 2.719 10 30 AFEERN C=CC[C@H]1C=Cc2ccccc2[C@H]1O 307629633 572661724 /nfs/dbraw/zinc/66/17/24/572661724.db2.gz XNDMDFJDFRHCBZ-AAEUAGOBSA-N 0 0 186.254 2.939 10 30 AFEERN CC#C[C@]1(O)CCC[C@@H](C(C)C)CC1 306411260 572661825 /nfs/dbraw/zinc/66/18/25/572661825.db2.gz KHNSYYFFLVPFSA-OLZOCXBDSA-N 0 0 194.318 2.977 10 30 AFEERN C=C[C@@H]1[C@@H](C)CC(C)(C)C[C@H]1O 306452108 572661941 /nfs/dbraw/zinc/66/19/41/572661941.db2.gz FILVTZVSPMDIOT-IVZWLZJFSA-N 0 0 168.280 2.606 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@@H](O)C[C@@H]12 306451556 572661958 /nfs/dbraw/zinc/66/19/58/572661958.db2.gz CLPPFTDAGSFPIK-GRYCIOLGSA-N 0 0 180.291 2.894 10 30 AFEERN C=CCNc1sc([N+](=O)[O-])cc1C 306431950 572662035 /nfs/dbraw/zinc/66/20/35/572662035.db2.gz RWRMDNRGEHYWET-UHFFFAOYSA-N 0 0 198.247 2.563 10 30 AFEERN CCN(C)N=C1CCCC[C@@H]1C 393322343 572662041 /nfs/dbraw/zinc/66/20/41/572662041.db2.gz DYXGRNULAFJKNP-VIFPVBQESA-N 0 0 168.284 2.504 10 30 AFEERN C=C(C)CC(=O)[C@H]1C[C@H]1CC 307656447 572662086 /nfs/dbraw/zinc/66/20/86/572662086.db2.gz QMRYBAIZYVPUOE-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@]1(CC)CCCC[C@@H]1O 306462833 572662173 /nfs/dbraw/zinc/66/21/73/572662173.db2.gz KXQISWIFLLKPEX-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN CCN(C)N=C1CCCC[C@H]1C 393322342 572662291 /nfs/dbraw/zinc/66/22/91/572662291.db2.gz DYXGRNULAFJKNP-SECBINFHSA-N 0 0 168.284 2.504 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)C[C@@H](C)[C@H]1C 306426374 572662293 /nfs/dbraw/zinc/66/22/93/572662293.db2.gz IAQUJSVAMSJDFR-JKMUOGBPSA-N 0 0 194.196 2.512 10 30 AFEERN C=C1CC[C@H]2[C@H](C1)[C@@H](O)CC[C@H]2C 306419342 572662722 /nfs/dbraw/zinc/66/27/22/572662722.db2.gz XBHPOSXRVQQVMT-WYUUTHIRSA-N 0 0 180.291 2.750 10 30 AFEERN C=CC(=O)CSc1ccccc1C 85111506 572663132 /nfs/dbraw/zinc/66/31/32/572663132.db2.gz BGGICPSQGCSPPY-UHFFFAOYSA-N 0 0 192.283 2.842 10 30 AFEERN C=C[C@]1(C)CCCC[C@H]1[C@@H](C)CO 306476266 572663239 /nfs/dbraw/zinc/66/32/39/572663239.db2.gz IVAOQEKSUDNXCW-SDDRHHMPSA-N 0 0 182.307 2.997 10 30 AFEERN C=C[C@@H]1C(=O)[C@H](C)CC[C@H]1C(=C)C 306475353 572663225 /nfs/dbraw/zinc/66/32/25/572663225.db2.gz XMWKIUMXXZSZQJ-VWYCJHECSA-N 0 0 178.275 2.980 10 30 AFEERN C#C/C(C)=C\C[C@@H]1CCCCC1=O 306410702 572663251 /nfs/dbraw/zinc/66/32/51/572663251.db2.gz NJBNUAGIHAJFGM-IEHMKBBKSA-N 0 0 176.259 2.715 10 30 AFEERN C=CCCCSC(=S)OC 306484483 572663262 /nfs/dbraw/zinc/66/32/62/572663262.db2.gz RXMLKHRFNPMJBW-UHFFFAOYSA-N 0 0 176.306 2.617 10 30 AFEERN C=C1CC[C@@H]2CCC[C@@H](O)[C@@]2(C)C1 306472587 572663777 /nfs/dbraw/zinc/66/37/77/572663777.db2.gz CGWZVKWDJQPDJN-TUAOUCFPSA-N 0 0 180.291 2.894 10 30 AFEERN C=CCNc1nc([C@@H]2C[C@H]2C)cs1 306491719 572663890 /nfs/dbraw/zinc/66/38/90/572663890.db2.gz WKILQARAVWPHQL-HTQZYQBOSA-N 0 0 194.303 2.864 10 30 AFEERN C#C[C@H](C1CCCCC1)[C@@H](O)CC 306480757 572663894 /nfs/dbraw/zinc/66/38/94/572663894.db2.gz NLMMTFNQDXDXNA-NEPJUHHUSA-N 0 0 180.291 2.587 10 30 AFEERN C=C1CCC[C@@H](O)[C@@H]2[C@H](C)CC[C@@H]12 307602004 572664095 /nfs/dbraw/zinc/66/40/95/572664095.db2.gz SVVGHZCFSIAGEA-WRWGMCAJSA-N 0 0 180.291 2.750 10 30 AFEERN C#Cc1ccc2sc(C)nc2c1 307623327 572664140 /nfs/dbraw/zinc/66/41/40/572664140.db2.gz LXNHAOCKRZIQRR-UHFFFAOYSA-N 0 0 173.240 2.586 10 30 AFEERN C#CCSCc1ccccc1F 306499686 572664190 /nfs/dbraw/zinc/66/41/90/572664190.db2.gz WLVLKTBMYHQTEO-UHFFFAOYSA-N 0 0 180.247 2.692 10 30 AFEERN C=CCCCON=C1CCC1 307862681 572664656 /nfs/dbraw/zinc/66/46/56/572664656.db2.gz HWBNQYLSYLWHCK-UHFFFAOYSA-N 0 0 153.225 2.509 10 30 AFEERN C=CCCc1ccccc1[C@@H](C)O 238389931 572668955 /nfs/dbraw/zinc/66/89/55/572668955.db2.gz LFGJYZMZVFRFFL-SNVBAGLBSA-N 0 0 176.259 2.859 10 30 AFEERN C=C[C@@H](C)COc1ccccc1O 238386492 572665030 /nfs/dbraw/zinc/66/50/30/572665030.db2.gz PPPHUWZVGXSIFE-SECBINFHSA-N 0 0 178.231 2.593 10 30 AFEERN Cc1cc2c(C#N)csc2o1 74340955 572670554 /nfs/dbraw/zinc/67/05/54/572670554.db2.gz PAQRGKSFWOLMKF-UHFFFAOYSA-N 0 0 163.201 2.674 10 30 AFEERN C=C1C[C@@H](O)C[C@H]2C[C@@H]1CC=C2C 307675311 572665235 /nfs/dbraw/zinc/66/52/35/572665235.db2.gz FPBNTCAKAOQYNI-QJPTWQEYSA-N 0 0 178.275 2.670 10 30 AFEERN C=CCNc1cc(F)ccc1C(C)=O 306477793 572665236 /nfs/dbraw/zinc/66/52/36/572665236.db2.gz ASJQOTQQRBCKRY-UHFFFAOYSA-N 0 0 193.221 2.626 10 30 AFEERN C#CCSCc1sc(C)nc1C 307699514 572665331 /nfs/dbraw/zinc/66/53/31/572665331.db2.gz OXCWNHDMLJHRAF-UHFFFAOYSA-N 0 0 197.328 2.626 10 30 AFEERN C=CCCc1ccc([C@@H](C)O)cc1 238387501 572665384 /nfs/dbraw/zinc/66/53/84/572665384.db2.gz HVLUHEAPLDOBTM-SNVBAGLBSA-N 0 0 176.259 2.859 10 30 AFEERN C[C@H](/C=C/C(=O)C(C)(C)C)CF 238384500 572665494 /nfs/dbraw/zinc/66/54/94/572665494.db2.gz WIFZCKXSMTUSCS-HQZHTGGTSA-N 0 0 172.243 2.763 10 30 AFEERN C=C[C@](O)(CCC)C(C)(C)C 307664278 572665746 /nfs/dbraw/zinc/66/57/46/572665746.db2.gz YSRUPOAXOIWIOI-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC(C)(C)COC=C 306470668 572666033 /nfs/dbraw/zinc/66/60/33/572666033.db2.gz QYEDITYWTLBFGO-UHFFFAOYSA-N 0 0 140.226 2.749 10 30 AFEERN C=C1[C@H]2C(=O)CC[C@H]3CCC[C@@H]1[C@H]23 306446294 572666049 /nfs/dbraw/zinc/66/60/49/572666049.db2.gz AXOSRCJENGPHIP-LLHIFLOGSA-N 0 0 176.259 2.568 10 30 AFEERN Cc1sc2ccoc2c1C#N 74340957 572668926 /nfs/dbraw/zinc/66/89/26/572668926.db2.gz VJECEHISUNHXHP-UHFFFAOYSA-N 0 0 163.201 2.674 10 30 AFEERN C=CCCC(=O)C[C@H](C)C=C 238389363 572666571 /nfs/dbraw/zinc/66/65/71/572666571.db2.gz PTESOABQIXUBPQ-SECBINFHSA-N 0 0 152.237 2.734 10 30 AFEERN C[C@@H](O)c1cccc2ccc(C#N)cc12 238389679 572666601 /nfs/dbraw/zinc/66/66/01/572666601.db2.gz LWRJUEQEASZHLL-SECBINFHSA-N 0 0 197.237 2.765 10 30 AFEERN C#CCNc1cccc(C(C)(F)F)c1 306532289 572666637 /nfs/dbraw/zinc/66/66/37/572666637.db2.gz BPOBUGYJWYDNEB-UHFFFAOYSA-N 0 0 195.212 2.843 10 30 AFEERN C[C@@H](O)c1cccc2c(C#N)cccc12 238389636 572666844 /nfs/dbraw/zinc/66/68/44/572666844.db2.gz OOBWXGDUYMWXEU-SECBINFHSA-N 0 0 197.237 2.765 10 30 AFEERN C=C[C@@H]1CC[C@H]2CC(=O)CCC[C@H]12 306433313 572667037 /nfs/dbraw/zinc/66/70/37/572667037.db2.gz WNJCBBXAOFOYAF-JFGNBEQYSA-N 0 0 178.275 2.958 10 30 AFEERN C#C/C(C)=C/C[C@H]1CCCCC1=O 306455230 572667122 /nfs/dbraw/zinc/66/71/22/572667122.db2.gz NJBNUAGIHAJFGM-RJCSOLBVSA-N 0 0 176.259 2.715 10 30 AFEERN C#C[C@@H](C1CCCCC1)[C@@H](O)CC 306480760 572667422 /nfs/dbraw/zinc/66/74/22/572667422.db2.gz NLMMTFNQDXDXNA-RYUDHWBXSA-N 0 0 180.291 2.587 10 30 AFEERN C#C[C@@H](O)CC1=CCCCC1(C)C 306440340 572667451 /nfs/dbraw/zinc/66/74/51/572667451.db2.gz HTYSKNXJZUATGF-LLVKDONJSA-N 0 0 178.275 2.507 10 30 AFEERN C=CCSCc1ccc([C@@H](C)O)o1 238387662 572667617 /nfs/dbraw/zinc/66/76/17/572667617.db2.gz QOAAZEMZJKSSIN-MRVPVSSYSA-N 0 0 198.287 2.752 10 30 AFEERN C=CC[C@@]1(C)C[C@@H](O)C[C@H](C)C1 306450862 572667874 /nfs/dbraw/zinc/66/78/74/572667874.db2.gz QVJZWHVMPUFWLY-GARJFASQSA-N 0 0 168.280 2.750 10 30 AFEERN C=C1C=CC2(CCC(C)CC2)[C@@H]1O 306410314 572667971 /nfs/dbraw/zinc/66/79/71/572667971.db2.gz ZPELJHYPNWZIBR-CKBZRRDASA-N 0 0 178.275 2.670 10 30 AFEERN C[C@@H](O)c1cccc(CCCC#N)c1 238389131 572668010 /nfs/dbraw/zinc/66/80/10/572668010.db2.gz UCOKHDFMUUFTKK-SNVBAGLBSA-N 0 0 189.258 2.586 10 30 AFEERN C=CC[C@](O)(CC)C(C)(C)C 307653246 572673095 /nfs/dbraw/zinc/67/30/95/572673095.db2.gz KYASOAXZSXNFLY-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC[C@@H](O)c1cc(C)cc(N)c1 308088718 572668200 /nfs/dbraw/zinc/66/82/00/572668200.db2.gz HLIXOXPFMHANLK-GFCCVEGCSA-N 0 0 191.274 2.577 10 30 AFEERN C=C[C@@H]1CC[C@H](C=C)[C@]1(C)C(C)=O 306486923 572668213 /nfs/dbraw/zinc/66/82/13/572668213.db2.gz JNEASCOMESAESP-ZSBIGDGJSA-N 0 0 178.275 2.980 10 30 AFEERN CC#CCC[C@H](O)[C@H]1CCCC[C@H]1C 307619123 572668214 /nfs/dbraw/zinc/66/82/14/572668214.db2.gz WHUPJUCCIYMVKX-AGIUHOORSA-N 0 0 194.318 2.977 10 30 AFEERN C=CC[C@H](O)C#CC1CCCCC1 306531957 572673114 /nfs/dbraw/zinc/67/31/14/572673114.db2.gz LKTUPAAOAXJTFM-LBPRGKRZSA-N 0 0 178.275 2.507 10 30 AFEERN C=CC[C@]1(C)C[C@H](C)C[C@H](O)C1 306450865 572668405 /nfs/dbraw/zinc/66/84/05/572668405.db2.gz QVJZWHVMPUFWLY-OUAUKWLOSA-N 0 0 168.280 2.750 10 30 AFEERN CCC[C@@H](C#C[Si](C)(C)C)[C@H](C)O 306477443 572668415 /nfs/dbraw/zinc/66/84/15/572668415.db2.gz APLHTYVNVLYQMM-QWRGUYRKSA-N 0 0 198.382 2.664 10 30 AFEERN C=C(C)[C@@H]1CC=C(C)[C@H](O)C1(C)C 306420534 572668441 /nfs/dbraw/zinc/66/84/41/572668441.db2.gz ZZHPNGNMPNWJST-QWRGUYRKSA-N 0 0 180.291 2.916 10 30 AFEERN C=CC(=O)C[C@H](C)Cc1ccco1 238389209 572668520 /nfs/dbraw/zinc/66/85/20/572668520.db2.gz BRGOHRUEFTXBMP-VIFPVBQESA-N 0 0 178.231 2.603 10 30 AFEERN C=C(C)CC(=O)C(C)(C)SC 307677318 572668660 /nfs/dbraw/zinc/66/86/60/572668660.db2.gz LHFVGKQIYREYLK-UHFFFAOYSA-N 0 0 172.293 2.663 10 30 AFEERN C=C1CC[C@H]2[C@H](C1)[C@H](O)CC[C@H]2C 306419341 572668758 /nfs/dbraw/zinc/66/87/58/572668758.db2.gz XBHPOSXRVQQVMT-WISYIIOYSA-N 0 0 180.291 2.750 10 30 AFEERN C=C(C)[C@H]1CC=C(C)[C@H](O)C1(C)C 306420533 572668763 /nfs/dbraw/zinc/66/87/63/572668763.db2.gz ZZHPNGNMPNWJST-MNOVXSKESA-N 0 0 180.291 2.916 10 30 AFEERN C=C[C@H](C)[C@H](O)c1cccc(OC)c1 238390598 572668777 /nfs/dbraw/zinc/66/87/77/572668777.db2.gz YRIFDTRBKDLNTH-CABZTGNLSA-N 0 0 192.258 2.551 10 30 AFEERN C=C(C[C@H](C)C=O)c1ccccc1 238388854 572668829 /nfs/dbraw/zinc/66/88/29/572668829.db2.gz WXJZFGQEUMFTRI-JTQLQIEISA-N 0 0 174.243 2.925 10 30 AFEERN C=C[C@@H](C)CC(=O)C[C@@H](C)C=C 238389559 572668835 /nfs/dbraw/zinc/66/88/35/572668835.db2.gz CKLGEUHDKSUVHS-AOOOYVTPSA-N 0 0 166.264 2.980 10 30 AFEERN Cc1ccccc1SC[C@H](C)C=O 238390614 572668876 /nfs/dbraw/zinc/66/88/76/572668876.db2.gz WFFDBHJJIZCSOX-SECBINFHSA-N 0 0 194.299 2.922 10 30 AFEERN C=C[C@@H](C)[C@H](O)c1cccc(OC)c1 238390660 572669025 /nfs/dbraw/zinc/66/90/25/572669025.db2.gz YRIFDTRBKDLNTH-SKDRFNHKSA-N 0 0 192.258 2.551 10 30 AFEERN CC[C@](C)(O)C#Cc1ccsc1C 306459837 572669029 /nfs/dbraw/zinc/66/90/29/572669029.db2.gz BYXTWJJYVODBKI-NSHDSACASA-N 0 0 194.299 2.569 10 30 AFEERN C#C[C@@H](/C=C/C)[C@@H]1CCCCC1=O 306497817 572669098 /nfs/dbraw/zinc/66/90/98/572669098.db2.gz SFNYHKAENHNRCI-HFCJNZDQSA-N 0 0 176.259 2.571 10 30 AFEERN C#CCCCSCC(=C)Cl 306421136 572669238 /nfs/dbraw/zinc/66/92/38/572669238.db2.gz YTPSKUNBCADVOU-UHFFFAOYSA-N 0 0 174.696 2.886 10 30 AFEERN C=C(C)[C@@H]1C(=O)[C@@H]2CCCC[C@H]21 307637184 572669302 /nfs/dbraw/zinc/66/93/02/572669302.db2.gz YCKWHGDODMMJLU-BBBLOLIVSA-N 0 0 164.248 2.568 10 30 AFEERN C/N=C(/C)c1ccc2ccccc2c1O 116205896 572669398 /nfs/dbraw/zinc/66/93/98/572669398.db2.gz VERMPIURIXEWKY-ZROIWOOFSA-N 0 0 199.253 2.984 10 30 AFEERN C=C1C[C@@H](O)C[C@@H](C)[C@H]2CCC[C@@H]12 307643124 572669642 /nfs/dbraw/zinc/66/96/42/572669642.db2.gz LBXAXEZRSDZKKE-WISYIIOYSA-N 0 0 180.291 2.750 10 30 AFEERN C=CCC[C@H](O)c1cc(C)cc(N)c1 308088720 572669683 /nfs/dbraw/zinc/66/96/83/572669683.db2.gz HLIXOXPFMHANLK-LBPRGKRZSA-N 0 0 191.274 2.577 10 30 AFEERN CC#CCC[C@H](O)[C@@H]1CCCC[C@H]1C 307619125 572673200 /nfs/dbraw/zinc/67/32/00/572673200.db2.gz WHUPJUCCIYMVKX-UPJWGTAASA-N 0 0 194.318 2.977 10 30 AFEERN C=C[C@@H](C)C[C@H](O)c1ccc(O)cc1 238398753 572670012 /nfs/dbraw/zinc/67/00/12/572670012.db2.gz MATCQMJMTVTYDA-SKDRFNHKSA-N 0 0 192.258 2.638 10 30 AFEERN C=C(C)[C@@H](O)[C@@H](C)C=C(C)C 306508686 572670037 /nfs/dbraw/zinc/67/00/37/572670037.db2.gz INYHKFGIAWBMNG-VHSXEESVSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@@H](C)C[C@@H](CO)c1ccccc1 238391854 572670288 /nfs/dbraw/zinc/67/02/88/572670288.db2.gz RGAGNEFCWAOCFT-YPMHNXCESA-N 0 0 190.286 2.975 10 30 AFEERN C=C[C@](O)(CCC)C1CCC1 307652438 572673230 /nfs/dbraw/zinc/67/32/30/572673230.db2.gz JWENPSNBNLQDNA-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)[C@H](O)C1(CCC)CC1 307639423 572670838 /nfs/dbraw/zinc/67/08/38/572670838.db2.gz BPMIPORZKIAMMP-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@@H]1CC[C@H](C=C)[C@@]1(C)[C@@H](C)O 306578543 572670980 /nfs/dbraw/zinc/67/09/80/572670980.db2.gz WCSNQXFVKDXOHY-WYUUTHIRSA-N 0 0 180.291 2.772 10 30 AFEERN C=CC[C@H]1C/C(=C\C)CC[C@H]1O 306519492 572671319 /nfs/dbraw/zinc/67/13/19/572671319.db2.gz IVPCMCTTXWRUIE-RJAQEEFZSA-N 0 0 166.264 2.670 10 30 AFEERN C#Cc1ccc(Cl)c(C)c1F 306549661 572671325 /nfs/dbraw/zinc/67/13/25/572671325.db2.gz GQPBWHQHTUQPRX-UHFFFAOYSA-N 0 0 168.598 2.769 10 30 AFEERN C[C@@H](O)C/C=C/CCCCCCC=O 238401420 572671465 /nfs/dbraw/zinc/67/14/65/572671465.db2.gz GPRZCHVPCYRZJP-WAFBPQNNSA-N 0 0 198.306 2.853 10 30 AFEERN C=C1CC[C@@H]2C(=O)C[C@@H]3CCC[C@]132 306544957 572671804 /nfs/dbraw/zinc/67/18/04/572671804.db2.gz ZTEQJKLNFVFMNC-UMNHJUIQSA-N 0 0 176.259 2.712 10 30 AFEERN C=C[C@@H](C)C[C@H](CO)c1ccccc1 238397625 572671928 /nfs/dbraw/zinc/67/19/28/572671928.db2.gz RGAGNEFCWAOCFT-DGCLKSJQSA-N 0 0 190.286 2.975 10 30 AFEERN CC#C[C@@H](O)c1ccc(C(C)C)cc1 306580515 572672176 /nfs/dbraw/zinc/67/21/76/572672176.db2.gz YPQOHVHWDPTMNH-CYBMUJFWSA-N 0 0 188.270 2.867 10 30 AFEERN C#CCSCC/C=C/CC 306502406 572672224 /nfs/dbraw/zinc/67/22/24/572672224.db2.gz OQPRRZUKGFLDLJ-AATRIKPKSA-N 0 0 154.278 2.709 10 30 AFEERN C=CC[C@H](O)[C@]1(C)CCCC(C)(C)O1 307687389 572672363 /nfs/dbraw/zinc/67/23/63/572672363.db2.gz DUMDMXCGDGRDJX-JQWIXIFHSA-N 0 0 198.306 2.661 10 30 AFEERN C/N=C(\C)c1c(O)ccc2ccccc12 116204843 572672588 /nfs/dbraw/zinc/67/25/88/572672588.db2.gz KGFWOIJTWCPGSD-NTEUORMPSA-N 0 0 199.253 2.984 10 30 AFEERN C=C[C@@H](O)C[C@H](C)Cc1ccc(C)o1 238398511 572672773 /nfs/dbraw/zinc/67/27/73/572672773.db2.gz KXMOAJSWRDJHRX-GXSJLCMTSA-N 0 0 194.274 2.704 10 30 AFEERN CO[C@H](CCC=O)C1CCCCC1 238400729 572672825 /nfs/dbraw/zinc/67/28/25/572672825.db2.gz IGCBFVZSCCWTSW-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN CO[C@H](CC=O)c1ccc(Cl)cc1 238400313 572673823 /nfs/dbraw/zinc/67/38/23/572673823.db2.gz ABIFKCVABMHWOM-SNVBAGLBSA-N 0 0 198.649 2.617 10 30 AFEERN C#CCSCc1nc(C)c(C)s1 307638386 572673317 /nfs/dbraw/zinc/67/33/17/572673317.db2.gz ZXOSDDXXUQUGMC-UHFFFAOYSA-N 0 0 197.328 2.626 10 30 AFEERN C=C[C@@H](C)C[C@H](O)c1cccc(O)c1 238398800 572673595 /nfs/dbraw/zinc/67/35/95/572673595.db2.gz IVLVYSZHYMLLPS-SKDRFNHKSA-N 0 0 192.258 2.638 10 30 AFEERN C=CCc1c(F)ccc(F)c1OC 306540650 572673770 /nfs/dbraw/zinc/67/37/70/572673770.db2.gz WMAGWOOUNJTLDA-UHFFFAOYSA-N 0 0 184.185 2.702 10 30 AFEERN C=C[C@@H]1CC[C@]2(C)CCC(=O)C[C@H]12 306508453 572673794 /nfs/dbraw/zinc/67/37/94/572673794.db2.gz APZVSYDBMJAOQQ-YUSALJHKSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@H](O)[C@H]1CC[C@@H](CC)C1 306523705 572673919 /nfs/dbraw/zinc/67/39/19/572673919.db2.gz UOTGOZZJRACESL-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@H](C[C@@H](C)O)c1ccccn1 238398880 572674122 /nfs/dbraw/zinc/67/41/22/572674122.db2.gz ATHXTOHHPBESQW-MNOVXSKESA-N 0 0 191.274 2.512 10 30 AFEERN C=CC[C@@H]1C/C(=C\C)CC[C@@H]1O 306519490 572674486 /nfs/dbraw/zinc/67/44/86/572674486.db2.gz IVPCMCTTXWRUIE-BMMYIHMSSA-N 0 0 166.264 2.670 10 30 AFEERN C=CC[C@@H](OC)c1cccc(O)c1 238400014 572674644 /nfs/dbraw/zinc/67/46/44/572674644.db2.gz XZGBALICJGMXFV-LLVKDONJSA-N 0 0 178.231 2.656 10 30 AFEERN C=C[C@H]1CC(=O)[C@@H](C/C=C/C)C1 306506782 572674647 /nfs/dbraw/zinc/67/46/47/572674647.db2.gz WDLDBAPRVYUVDI-AEJJFCSLSA-N 0 0 164.248 2.734 10 30 AFEERN C=C1[C@H]([C@H](O)C(C)C)[C@@H]1C(C)(C)C 307687168 572676047 /nfs/dbraw/zinc/67/60/47/572676047.db2.gz DNOGMZCKYWFIFR-HBNTYKKESA-N 0 0 182.307 2.852 10 30 AFEERN C=C[C@H](C)[C@@H]1CC[C@H](C)[C@H](O)C1 306532706 572674834 /nfs/dbraw/zinc/67/48/34/572674834.db2.gz MDPCNHPZBMCNRI-UKKRHICBSA-N 0 0 168.280 2.606 10 30 AFEERN C=C[C@@H]1CC[C@@H](C=C)C1(C)[C@@H](C)O 306578523 572675093 /nfs/dbraw/zinc/67/50/93/572675093.db2.gz WCSNQXFVKDXOHY-GMTAPVOTSA-N 0 0 180.291 2.772 10 30 AFEERN C=C[C@H](C)C[C@H](O)/C(C)=C\C 307649958 572675285 /nfs/dbraw/zinc/67/52/85/572675285.db2.gz GTEBFRIDFXESLN-ABUIULPASA-N 0 0 154.253 2.526 10 30 AFEERN C=C(C)[C@](C)(O)c1ccsc1 307610896 572675365 /nfs/dbraw/zinc/67/53/65/572675365.db2.gz IVWRPNXGRBTTAX-VIFPVBQESA-N 0 0 168.261 2.532 10 30 AFEERN C#Cc1cccc(NC[C@@H](F)CC)c1 307621237 572675549 /nfs/dbraw/zinc/67/55/49/572675549.db2.gz GEAJTZSMDKBKLQ-NSHDSACASA-N 0 0 191.249 2.828 10 30 AFEERN C=CCCN1CC[C@H](C)C(F)(F)C1 306574109 572676343 /nfs/dbraw/zinc/67/63/43/572676343.db2.gz QWUSANIHZAQQQU-VIFPVBQESA-N 0 0 189.249 2.540 10 30 AFEERN C=C(CC)CSCC 307623827 572675742 /nfs/dbraw/zinc/67/57/42/572675742.db2.gz HZWGCIRHDSVEIF-UHFFFAOYSA-N 0 0 130.256 2.706 10 30 AFEERN C[C@@H](O)c1ccc2cc(C#N)ccc2c1 238399648 572675760 /nfs/dbraw/zinc/67/57/60/572675760.db2.gz ABBXFQNKSLVYQT-SECBINFHSA-N 0 0 197.237 2.765 10 30 AFEERN C=CC[C@H](O)[C@H](C)C=C(C)C 307664509 572675950 /nfs/dbraw/zinc/67/59/50/572675950.db2.gz YUZDFABLZOIMJO-ZJUUUORDSA-N 0 0 154.253 2.526 10 30 AFEERN C=CC[C@@H](OC)c1ccccc1O 238400033 572676038 /nfs/dbraw/zinc/67/60/38/572676038.db2.gz HEWBYQCESKUXHR-LLVKDONJSA-N 0 0 178.231 2.656 10 30 AFEERN CC(C[C@H]1CC=CCC1)=NO 307865126 572676367 /nfs/dbraw/zinc/67/63/67/572676367.db2.gz LNQDQYXEKOLDTC-VIFPVBQESA-N 0 0 153.225 2.583 10 30 AFEERN C#CCSC[C@H](C)C(F)(F)F 307624796 572676621 /nfs/dbraw/zinc/67/66/21/572676621.db2.gz OJRSVLRRVXWYSO-LURJTMIESA-N 0 0 182.210 2.551 10 30 AFEERN C=C[C@H](C)[C@@H]1C(=O)CC[C@H]1C=C 306539746 572676660 /nfs/dbraw/zinc/67/66/60/572676660.db2.gz QPRCLXZYBAHJKH-NGZCFLSTSA-N 0 0 164.248 2.590 10 30 AFEERN C=C1CC[C@@H]2CCC[C@]2(C)[C@H](O)C1 306542096 572676674 /nfs/dbraw/zinc/67/66/74/572676674.db2.gz YKLICNHINXTQRX-TUAOUCFPSA-N 0 0 180.291 2.894 10 30 AFEERN C=CC[C@H](O)c1cc(C)cs1 306593860 572676732 /nfs/dbraw/zinc/67/67/32/572676732.db2.gz RXHWTZIFNVCOPQ-QMMMGPOBSA-N 0 0 168.261 2.666 10 30 AFEERN CC#CCC[C@H](O)[C@@H]1CCCC[C@@H]1C 307619126 572676790 /nfs/dbraw/zinc/67/67/90/572676790.db2.gz WHUPJUCCIYMVKX-XQQFMLRXSA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)(C)C#CC[C@H](O)[C@]1(C)C[C@H]1F 306590378 572676850 /nfs/dbraw/zinc/67/68/50/572676850.db2.gz AEUGVGQVESKVTB-JFGNBEQYSA-N 0 0 198.281 2.535 10 30 AFEERN C=C[C@H](CC=O)c1ccc(OC)cc1 238398896 572676874 /nfs/dbraw/zinc/67/68/74/572676874.db2.gz TYXANZZDJCBMED-SNVBAGLBSA-N 0 0 190.242 2.554 10 30 AFEERN C=C(C)[C@H](O)[C@@H]1CC[C@@H](CC)C1 306523704 572677028 /nfs/dbraw/zinc/67/70/28/572677028.db2.gz UOTGOZZJRACESL-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@H](C(C)=O)/C(C)=C/C 307646992 572677045 /nfs/dbraw/zinc/67/70/45/572677045.db2.gz CDIJYCBGOPPLIO-PCGIRMHASA-N 0 0 152.237 2.734 10 30 AFEERN C=C(C[Si](C)(C)C)[C@@H](C)CO 307648828 572677213 /nfs/dbraw/zinc/67/72/13/572677213.db2.gz FITIGFRJQHUTMR-QMMMGPOBSA-N 0 0 172.344 2.509 10 30 AFEERN C=CC[C@@H]1C=Cc2ccccc2[C@H]1O 307629635 572677236 /nfs/dbraw/zinc/67/72/36/572677236.db2.gz XNDMDFJDFRHCBZ-YPMHNXCESA-N 0 0 186.254 2.939 10 30 AFEERN CC#C[C@H](O)c1cc(F)cc(Cl)c1 306582627 572677409 /nfs/dbraw/zinc/67/74/09/572677409.db2.gz COCQWHUZTQUDCU-JTQLQIEISA-N 0 0 198.624 2.536 10 30 AFEERN N#C[C@@]1(C/C=C\Cl)CCCS1 307866678 572677474 /nfs/dbraw/zinc/67/74/74/572677474.db2.gz GKIUUGMBTOLALO-LUJFTGFFSA-N 0 0 187.695 2.918 10 30 AFEERN C=C(C)C/C=C/[C@@H](C)CC=O 307868741 572677481 /nfs/dbraw/zinc/67/74/81/572677481.db2.gz VCWVLTNOUWPLHI-DFVUYQKZSA-N 0 0 152.237 2.734 10 30 AFEERN C=C1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1O 307622089 572677493 /nfs/dbraw/zinc/67/74/93/572677493.db2.gz POPKYZMHADSADV-JIMOISOXSA-N 0 0 188.270 2.727 10 30 AFEERN C=CCCCC(=O)[C@H]1CCCS1 87701373 572677521 /nfs/dbraw/zinc/67/75/21/572677521.db2.gz KCFBKXBRNIRAGB-SNVBAGLBSA-N 0 0 184.304 2.807 10 30 AFEERN C=C1C[C@H]2C[C@H](O)C[C@@H](C1)C2(C)C 307695893 572677634 /nfs/dbraw/zinc/67/76/34/572677634.db2.gz JQUGMMNNNZWZGL-JGPRNRPPSA-N 0 0 180.291 2.750 10 30 AFEERN N#C[C@]1(C/C=C\Cl)CCCS1 307866689 572677759 /nfs/dbraw/zinc/67/77/59/572677759.db2.gz GKIUUGMBTOLALO-PRULUSJTSA-N 0 0 187.695 2.918 10 30 AFEERN C=CCc1cc(F)cc(F)c1F 307622798 572677763 /nfs/dbraw/zinc/67/77/63/572677763.db2.gz HEFGUDRTLHFPQG-UHFFFAOYSA-N 0 0 172.149 2.832 10 30 AFEERN C=C(Cl)CNC/C=C\c1ccco1 308091209 572677815 /nfs/dbraw/zinc/67/78/15/572677815.db2.gz RPGSNNNFSYHIJB-RQOWECAXSA-N 0 0 197.665 2.635 10 30 AFEERN C=C(CC)CC(=O)[C@@H]1CCCS1 87701478 572677900 /nfs/dbraw/zinc/67/79/00/572677900.db2.gz DIBSNZAEIMVREN-JTQLQIEISA-N 0 0 184.304 2.807 10 30 AFEERN C=CC[C@H]1CCCCC[C@H](O)C1 306530981 572677982 /nfs/dbraw/zinc/67/79/82/572677982.db2.gz KITWZSBVDUWJQK-QWRGUYRKSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC[C@@]1(O)CCC[C@@H](C)C1 306591735 572678301 /nfs/dbraw/zinc/67/83/01/572678301.db2.gz YWHUPYUURWAXHY-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)(C)SCCCCC=O 307865470 572678341 /nfs/dbraw/zinc/67/83/41/572678341.db2.gz FWYPWVWQSKMKFF-UHFFFAOYSA-N 0 0 174.309 2.887 10 30 AFEERN CC#C[C@@](C)(O)c1cc(C)ccc1C 306529036 572678396 /nfs/dbraw/zinc/67/83/96/572678396.db2.gz FCMKCCOYNUIRIH-CYBMUJFWSA-N 0 0 188.270 2.534 10 30 AFEERN C=C(C)[C@H](C)[C@H](O)[C@@H](C)CC 307664295 572678703 /nfs/dbraw/zinc/67/87/03/572678703.db2.gz YTQSPZRFRFADGG-LPEHRKFASA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@H](O)C[C@@H](C)C=C(C)C 307650014 572678707 /nfs/dbraw/zinc/67/87/07/572678707.db2.gz GYTGIPMKFXYBFF-UWVGGRQHSA-N 0 0 154.253 2.526 10 30 AFEERN CSC(=S)C[C@@H](C)[C@H](C)C=O 238406299 572678875 /nfs/dbraw/zinc/67/88/75/572678875.db2.gz SOLWUSLPBOVBFN-RNFRBKRXSA-N 0 0 190.333 2.538 10 30 AFEERN C=CCCCC(=O)[C@@H]1CCCS1 87701372 572678907 /nfs/dbraw/zinc/67/89/07/572678907.db2.gz KCFBKXBRNIRAGB-JTQLQIEISA-N 0 0 184.304 2.807 10 30 AFEERN C=C1[C@H](C(C)C)CC[C@@H]1CCO 306519996 572679306 /nfs/dbraw/zinc/67/93/06/572679306.db2.gz DBOMUTZDBPJLRL-MNOVXSKESA-N 0 0 168.280 2.607 10 30 AFEERN C=C1[C@@H]([C@H](O)C(C)(C)C)[C@H]1CC 306544916 572679319 /nfs/dbraw/zinc/67/93/19/572679319.db2.gz ZPODDXWNEXASQN-AEJSXWLSSA-N 0 0 168.280 2.606 10 30 AFEERN C=C(C)C/C=C/[C@H](C)CC=O 307868745 572679422 /nfs/dbraw/zinc/67/94/22/572679422.db2.gz VCWVLTNOUWPLHI-RWCYGVJQSA-N 0 0 152.237 2.734 10 30 AFEERN CC[C@@H](F)CSCCCC#N 307868873 572679460 /nfs/dbraw/zinc/67/94/60/572679460.db2.gz KRVRQMWPHHBNME-MRVPVSSYSA-N 0 0 175.272 2.771 10 30 AFEERN C=CCCN1CC[C@@H](C)C(F)(F)C1 306574108 572679537 /nfs/dbraw/zinc/67/95/37/572679537.db2.gz QWUSANIHZAQQQU-SECBINFHSA-N 0 0 189.249 2.540 10 30 AFEERN C=CC[C@H]1Cc2cccc(C)c2N1 307621119 572679680 /nfs/dbraw/zinc/67/96/80/572679680.db2.gz JQSNPISSZNVDGE-NSHDSACASA-N 0 0 173.259 2.908 10 30 AFEERN C=CC[C@H]1C/C(=C\C)CC[C@@H]1O 306519493 572679760 /nfs/dbraw/zinc/67/97/60/572679760.db2.gz IVPCMCTTXWRUIE-XXLCQIKASA-N 0 0 166.264 2.670 10 30 AFEERN C=CCSCC(=C)Br 306544854 572679795 /nfs/dbraw/zinc/67/97/95/572679795.db2.gz ZJKPZSBOKZNRJY-UHFFFAOYSA-N 0 0 193.109 2.814 10 30 AFEERN C=C[C@@H]1[C@@H](O)CCC[C@@H]1C(=C)C 306587522 572679808 /nfs/dbraw/zinc/67/98/08/572679808.db2.gz MOJSXIXADPCIOC-AXFHLTTASA-N 0 0 166.264 2.526 10 30 AFEERN C#Cc1ccc2cc(C#C)ccc2c1 116296536 572679832 /nfs/dbraw/zinc/67/98/32/572679832.db2.gz DAWMSTQJPPKMKM-UHFFFAOYSA-N 0 0 176.218 2.802 10 30 AFEERN C=C(C)[C@H](O)[C@@H]1CC[C@H](CC)C1 306523702 572679952 /nfs/dbraw/zinc/67/99/52/572679952.db2.gz UOTGOZZJRACESL-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C#CCC1(CSCC)CCC1 307691803 572681823 /nfs/dbraw/zinc/68/18/23/572681823.db2.gz QLSJELKPPSMUOW-UHFFFAOYSA-N 0 0 168.305 2.933 10 30 AFEERN C=C1[C@H](CC)[C@H]1[C@@H](O)C(C)(C)C 306544919 572680044 /nfs/dbraw/zinc/68/00/44/572680044.db2.gz ZPODDXWNEXASQN-LPEHRKFASA-N 0 0 168.280 2.606 10 30 AFEERN Fc1cccc(C#Cc2cccnc2)c1 116295334 572680413 /nfs/dbraw/zinc/68/04/13/572680413.db2.gz XBXGOXPEHUQHQW-UHFFFAOYSA-N 0 0 197.212 2.621 10 30 AFEERN C=C[C@H](C)C[C@@H](O)/C(C)=C/C 307866897 572680576 /nfs/dbraw/zinc/68/05/76/572680576.db2.gz GTEBFRIDFXESLN-YSPXFBHJSA-N 0 0 154.253 2.526 10 30 AFEERN C=CC[C@@]1(O)CC2CCC1CC2 307604526 572680973 /nfs/dbraw/zinc/68/09/73/572680973.db2.gz WJVCTGFLURHXIJ-VQXHTEKXSA-N 0 0 166.264 2.504 10 30 AFEERN C=C(C)[C@H]1[C@@H]2[C@H](CC[C@H]1O)C2(C)C 307620145 572681130 /nfs/dbraw/zinc/68/11/30/572681130.db2.gz NVRZIBZTNDCJJC-ZDCRXTMVSA-N 0 0 180.291 2.606 10 30 AFEERN CSC(=S)C[C@H](C)[C@H](C)C=O 238406409 572681310 /nfs/dbraw/zinc/68/13/10/572681310.db2.gz SOLWUSLPBOVBFN-NKWVEPMBSA-N 0 0 190.333 2.538 10 30 AFEERN C=C1CC[C@@]2(CCCC[C@H]2CO)C1 306557707 572681321 /nfs/dbraw/zinc/68/13/21/572681321.db2.gz NJBAJBAUVOTSMH-RYUDHWBXSA-N 0 0 180.291 2.895 10 30 AFEERN C=CC[C@@]1(C)C=C(CO)CC[C@@H]1C 307697214 572681336 /nfs/dbraw/zinc/68/13/36/572681336.db2.gz GALLHSCHXYDYFH-JQWIXIFHSA-N 0 0 180.291 2.917 10 30 AFEERN C#CCSCc1cc(F)ccc1F 306558026 572681383 /nfs/dbraw/zinc/68/13/83/572681383.db2.gz NXTYANVKGRZXHF-UHFFFAOYSA-N 0 0 198.237 2.831 10 30 AFEERN C=C1CC=CCC(=O)CCC1 307867535 572681416 /nfs/dbraw/zinc/68/14/16/572681416.db2.gz SWAVGWATPUWPQY-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=CCCCC[C@H](C)[C@@H](C)O 238406480 572681554 /nfs/dbraw/zinc/68/15/54/572681554.db2.gz FCBQWRPNYZBMCC-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN C#CCCNc1ncc(C(C)C)s1 306509965 572681571 /nfs/dbraw/zinc/68/15/71/572681571.db2.gz KCCLTLFPISSKQA-UHFFFAOYSA-N 0 0 194.303 2.702 10 30 AFEERN C=C[C@@H](O)CC1=CC[C@@H](C)CC1 306548332 572681608 /nfs/dbraw/zinc/68/16/08/572681608.db2.gz FWIGESBRHPKHFL-MWLCHTKSSA-N 0 0 166.264 2.670 10 30 AFEERN C#CCC[C@@H](O)c1cc(C)cs1 306526334 572681657 /nfs/dbraw/zinc/68/16/57/572681657.db2.gz UJVOYYVCJMCYBH-SECBINFHSA-N 0 0 180.272 2.503 10 30 AFEERN C=C/C=C/C(=O)CCCC=C 307870477 572681730 /nfs/dbraw/zinc/68/17/30/572681730.db2.gz WPMVFYNFWUFJHS-SOFGYWHQSA-N 0 0 150.221 2.654 10 30 AFEERN C=CC/C=C/C[C@@H](C=C)C=O 307868277 572681854 /nfs/dbraw/zinc/68/18/54/572681854.db2.gz UHYUQHRFKGZIIH-VQCYPWCPSA-N 0 0 150.221 2.510 10 30 AFEERN C=C[C@@](O)(CCC)C1CCC1 307652439 572682021 /nfs/dbraw/zinc/68/20/21/572682021.db2.gz JWENPSNBNLQDNA-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C[C@H]1CC=CCC[C@H](C=O)C1 307868371 572682038 /nfs/dbraw/zinc/68/20/38/572682038.db2.gz ULVVTXLXMXIUPG-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CC=CCC[C@H](C=O)C1 307868377 572682333 /nfs/dbraw/zinc/68/23/33/572682333.db2.gz ULVVTXLXMXIUPG-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H](C#N)c1ccc(OCCF)cc1 214721023 572682360 /nfs/dbraw/zinc/68/23/60/572682360.db2.gz WBCFBPXKSWWXJK-SECBINFHSA-N 0 0 193.221 2.662 10 30 AFEERN Cc1ccc(OCC#N)c(Cl)c1 54351079 572682392 /nfs/dbraw/zinc/68/23/92/572682392.db2.gz JUNQMYPHGLBTFB-UHFFFAOYSA-N 0 0 181.622 2.551 10 30 AFEERN C=C1CC[C@@H]2CCC[C@@H](O)[C@@]12C 306573603 572682400 /nfs/dbraw/zinc/68/24/00/572682400.db2.gz QMEJVAVJVKPXGH-AXFHLTTASA-N 0 0 166.264 2.504 10 30 AFEERN C=C1CC[C@]2(CCCC[C@@H]2CO)C1 306557708 572682413 /nfs/dbraw/zinc/68/24/13/572682413.db2.gz NJBAJBAUVOTSMH-VXGBXAGGSA-N 0 0 180.291 2.895 10 30 AFEERN CC(=O)/C=C/C=C\CC(C)C 714527779 572682455 /nfs/dbraw/zinc/68/24/55/572682455.db2.gz LKXPKNDFBBWZCY-GSGSLZOQSA-N 0 0 152.237 2.734 10 30 AFEERN C=C1CC[C@@H]2CCC[C@@]2(C)[C@H](O)C1 306542093 572682482 /nfs/dbraw/zinc/68/24/82/572682482.db2.gz YKLICNHINXTQRX-QJPTWQEYSA-N 0 0 180.291 2.894 10 30 AFEERN C=C[C@H](O)C[C@H](C)C=C(C)C 307650016 572682533 /nfs/dbraw/zinc/68/25/33/572682533.db2.gz GYTGIPMKFXYBFF-ZJUUUORDSA-N 0 0 154.253 2.526 10 30 AFEERN C=C1[C@H](C(C)(C)C)[C@H]1[C@@H](O)C(C)C 307687165 572682615 /nfs/dbraw/zinc/68/26/15/572682615.db2.gz DNOGMZCKYWFIFR-DCAQKATOSA-N 0 0 182.307 2.852 10 30 AFEERN C=C(CC)CC(=O)C(C)(F)F 307695366 572682717 /nfs/dbraw/zinc/68/27/17/572682717.db2.gz BOFNEENBNRILBT-UHFFFAOYSA-N 0 0 162.179 2.567 10 30 AFEERN C=CC/C=C/C[C@H](C=C)C=O 307868274 572682873 /nfs/dbraw/zinc/68/28/73/572682873.db2.gz UHYUQHRFKGZIIH-FGEFZZPRSA-N 0 0 150.221 2.510 10 30 AFEERN CCC/C=C/C[C@H](C=O)CC 307867016 572682961 /nfs/dbraw/zinc/68/29/61/572682961.db2.gz SCZVSMHCJLTQKM-VQCYPWCPSA-N 0 0 154.253 2.958 10 30 AFEERN CCC/C=C/C[C@@H](C=O)CC 307867014 572683230 /nfs/dbraw/zinc/68/32/30/572683230.db2.gz SCZVSMHCJLTQKM-FGEFZZPRSA-N 0 0 154.253 2.958 10 30 AFEERN CO[C@H](C)C(=O)C1=CCCCCCC1 234790273 572683232 /nfs/dbraw/zinc/68/32/32/572683232.db2.gz WHMZJHUXOLLXOS-SNVBAGLBSA-N 0 0 196.290 2.871 10 30 AFEERN C[C@H](Cc1ccsc1)[C@H]1O[C@@H]1C 253484625 572683641 /nfs/dbraw/zinc/68/36/41/572683641.db2.gz IMJJGXQJEZNAPQ-NQMVMOMDSA-N 0 0 182.288 2.714 10 30 AFEERN C=C(C)CC(=O)[C@@H]1C[C@@H]1CC 307656448 572683665 /nfs/dbraw/zinc/68/36/65/572683665.db2.gz QMRYBAIZYVPUOE-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H]1CC(=O)[C@H](C/C=C/C)C1 306506786 572683813 /nfs/dbraw/zinc/68/38/13/572683813.db2.gz WDLDBAPRVYUVDI-AETUYUCGSA-N 0 0 164.248 2.734 10 30 AFEERN C=C([C@H]1CCCC[C@H]1O)[Si](C)(C)C 307672278 572683814 /nfs/dbraw/zinc/68/38/14/572683814.db2.gz YHWWDMTUXWNTEM-GHMZBOCLSA-N 0 0 198.382 2.971 10 30 AFEERN C=CC[C@]1(C)C=C(CO)CC[C@@H]1C 307697213 572683731 /nfs/dbraw/zinc/68/37/31/572683731.db2.gz GALLHSCHXYDYFH-CMPLNLGQSA-N 0 0 180.291 2.917 10 30 AFEERN C=C[C@@H](O)C[C@H](C)C=C(C)C 307650013 572683772 /nfs/dbraw/zinc/68/37/72/572683772.db2.gz GYTGIPMKFXYBFF-NXEZZACHSA-N 0 0 154.253 2.526 10 30 AFEERN C=CCC[C@@H](O)[C@@H]1CCCCS1 87704315 572683832 /nfs/dbraw/zinc/68/38/32/572683832.db2.gz WGNUWNXZPNVRDG-ZJUUUORDSA-N 0 0 186.320 2.599 10 30 AFEERN CCCC=Nc1ccccc1N 307870030 572683890 /nfs/dbraw/zinc/68/38/90/572683890.db2.gz ZCXSPSRENIDKLO-UHFFFAOYSA-N 0 0 162.236 2.771 10 30 AFEERN C=CCC[C@]1(O)CCC[C@@H](C)C1 306591736 572684037 /nfs/dbraw/zinc/68/40/37/572684037.db2.gz YWHUPYUURWAXHY-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN C=C(CC)C[C@@H](O)[C@H]1CCCS1 87703531 572684124 /nfs/dbraw/zinc/68/41/24/572684124.db2.gz YYUNKHZJUBHNPQ-NXEZZACHSA-N 0 0 186.320 2.599 10 30 AFEERN C=C[C@@H]1[C@H](C)[C@H]1C(=O)C(C)(C)C 306538215 572684142 /nfs/dbraw/zinc/68/41/42/572684142.db2.gz OYHBCRGTIPEROZ-DJLDLDEBSA-N 0 0 166.264 2.670 10 30 AFEERN C=C(C)CSCCSC 306502961 572684222 /nfs/dbraw/zinc/68/42/22/572684222.db2.gz PEJWLSLNOCWURI-UHFFFAOYSA-N 0 0 162.323 2.659 10 30 AFEERN C[C@@H]1O[C@H]1[C@H](C)Cc1ccsc1 253484626 572684257 /nfs/dbraw/zinc/68/42/57/572684257.db2.gz IMJJGXQJEZNAPQ-WEDXCCLWSA-N 0 0 182.288 2.714 10 30 AFEERN C=C(C)[C@@]1(CC)C(=O)[C@H]2CC=C[C@H]21 307645488 572684302 /nfs/dbraw/zinc/68/43/02/572684302.db2.gz YWBJXCYFSIVOLR-HOSYDEDBSA-N 0 0 176.259 2.734 10 30 AFEERN C[C@@H]1O[C@@H]1[C@H](C)Cc1ccsc1 253484623 572684315 /nfs/dbraw/zinc/68/43/15/572684315.db2.gz IMJJGXQJEZNAPQ-KHQFGBGNSA-N 0 0 182.288 2.714 10 30 AFEERN C=C(C)[C@@H]1C[C@H](O)[C@@]2(C)C=CC[C@H]2C1 307676730 572684359 /nfs/dbraw/zinc/68/43/59/572684359.db2.gz HXPKHNPUVALOLW-CYDGBPFRSA-N 0 0 192.302 2.916 10 30 AFEERN C=C[C@H]([NH2+]C)c1cc(F)ccc1Cl 306540470 572684476 /nfs/dbraw/zinc/68/44/76/572684476.db2.gz RRMQESFTXYOVEN-JTQLQIEISA-N 0 0 199.656 2.926 10 30 AFEERN CC(C)O/C=C1/CCCC[C@@H]1C=O 714530893 572684499 /nfs/dbraw/zinc/68/44/99/572684499.db2.gz OYUHNFUZLPEWCN-UBYNWHESSA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@@H]1C=Cc2ccccc2[C@H]1O 307607207 572684558 /nfs/dbraw/zinc/68/45/58/572684558.db2.gz BOOJYNXYPINJJN-SKDRFNHKSA-N 0 0 172.227 2.549 10 30 AFEERN CCC(C)(C)C(=O)[C@@H](C#N)C(C)C 54403288 572684650 /nfs/dbraw/zinc/68/46/50/572684650.db2.gz LHNNITUMMMWFCI-VIFPVBQESA-N 0 0 181.279 2.787 10 30 AFEERN C=C(C)Cn1ccc(C2(C)CC2)n1 307683053 572684673 /nfs/dbraw/zinc/68/46/73/572684673.db2.gz SVDMHSRNEFTWEJ-UHFFFAOYSA-N 0 0 176.263 2.511 10 30 AFEERN N#CC#Cc1ccc(F)c2ccccc12 236152502 572684707 /nfs/dbraw/zinc/68/47/07/572684707.db2.gz OMXASZWMPJSNDY-UHFFFAOYSA-N 0 0 195.196 2.854 10 30 AFEERN C[C@@H](C#N)c1ccc(OCCF)cc1 214720976 572684864 /nfs/dbraw/zinc/68/48/64/572684864.db2.gz WBCFBPXKSWWXJK-VIFPVBQESA-N 0 0 193.221 2.662 10 30 AFEERN C=C(CC)C[C@H](O)[C@@H]1CCCS1 87703525 572684892 /nfs/dbraw/zinc/68/48/92/572684892.db2.gz YYUNKHZJUBHNPQ-UWVGGRQHSA-N 0 0 186.320 2.599 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C(=C)C)C1=O 207861843 572684930 /nfs/dbraw/zinc/68/49/30/572684930.db2.gz OJZOQYIFPRQRKS-AOOOYVTPSA-N 0 0 164.248 2.734 10 30 AFEERN Cc1c(C#N)oc2c(C)cccc12 77068487 572684964 /nfs/dbraw/zinc/68/49/64/572684964.db2.gz RKMRUJMBNGCQRV-UHFFFAOYSA-N 0 0 171.199 2.921 10 30 AFEERN CC#CCSC(C)(C)C 307606155 572685053 /nfs/dbraw/zinc/68/50/53/572685053.db2.gz AVENTYMEYFRGBB-UHFFFAOYSA-N 0 0 142.267 2.541 10 30 AFEERN C=C(C(F)(F)F)[C@@](C)(O)C(C)(C)C 306582059 572685110 /nfs/dbraw/zinc/68/51/10/572685110.db2.gz HYQUJOHGRCOCCZ-MRVPVSSYSA-N 0 0 196.212 2.902 10 30 AFEERN CC#C[C@H](O)c1cc(C)c(C)cc1C 306517278 572685160 /nfs/dbraw/zinc/68/51/60/572685160.db2.gz AWOSQCMPCWWJEA-ZDUSSCGKSA-N 0 0 188.270 2.669 10 30 AFEERN C=C[C@@H]1CC(=O)[C@@H](C/C=C/C)C1 306506792 572685237 /nfs/dbraw/zinc/68/52/37/572685237.db2.gz WDLDBAPRVYUVDI-GMRPRLDHSA-N 0 0 164.248 2.734 10 30 AFEERN CC#C[C@H](O)[C@H]1CCC[C@@H](CC)C1 306553061 572685323 /nfs/dbraw/zinc/68/53/23/572685323.db2.gz BDLFLKOWSYPMBO-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(CC)C[C@H](O)[C@H]1CCCS1 87703529 572685324 /nfs/dbraw/zinc/68/53/24/572685324.db2.gz YYUNKHZJUBHNPQ-VHSXEESVSA-N 0 0 186.320 2.599 10 30 AFEERN C#CCC[C@H](O)c1cc(C)cs1 306526335 572685580 /nfs/dbraw/zinc/68/55/80/572685580.db2.gz UJVOYYVCJMCYBH-VIFPVBQESA-N 0 0 180.272 2.503 10 30 AFEERN C=CCC[C@@H](O)[C@H]1CCCCS1 87704319 572685384 /nfs/dbraw/zinc/68/53/84/572685384.db2.gz WGNUWNXZPNVRDG-NXEZZACHSA-N 0 0 186.320 2.599 10 30 AFEERN C=C(C)[C@]1(CC)C(=O)[C@@H]2CC=C[C@H]21 306552445 572685499 /nfs/dbraw/zinc/68/54/99/572685499.db2.gz YWBJXCYFSIVOLR-FOGDFJRCSA-N 0 0 176.259 2.734 10 30 AFEERN C[C@@H](CC1=CCCC1)[C@@H](C)C=O 238407396 572685521 /nfs/dbraw/zinc/68/55/21/572685521.db2.gz BNEHPAZOYFMVFU-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@H](O)[C@H]1CCCCS1 87704316 572685673 /nfs/dbraw/zinc/68/56/73/572685673.db2.gz WGNUWNXZPNVRDG-VHSXEESVSA-N 0 0 186.320 2.599 10 30 AFEERN C[C@H](Cc1ccsc1)[C@@H]1O[C@@H]1C 253484624 572685860 /nfs/dbraw/zinc/68/58/60/572685860.db2.gz IMJJGXQJEZNAPQ-MRTMQBJTSA-N 0 0 182.288 2.714 10 30 AFEERN C#CCN(C)c1ccc(C)c(Cl)c1 307639021 572685961 /nfs/dbraw/zinc/68/59/61/572685961.db2.gz DSRLZEOMWBHXHQ-UHFFFAOYSA-N 0 0 193.677 2.718 10 30 AFEERN C=CCC[C@H](O)[C@@H]1CCCCS1 87704313 572686030 /nfs/dbraw/zinc/68/60/30/572686030.db2.gz WGNUWNXZPNVRDG-UWVGGRQHSA-N 0 0 186.320 2.599 10 30 AFEERN C=CCCC/C=C/CO[C@H](C)[C@@H](C)O 238407402 572686100 /nfs/dbraw/zinc/68/61/00/572686100.db2.gz CBNACVVRYSXDQX-SVKHLYGUSA-N 0 0 198.306 2.685 10 30 AFEERN C[C@H](C=O)[C@@H](C)CC1=CCCC1 238407408 572686246 /nfs/dbraw/zinc/68/62/46/572686246.db2.gz BNEHPAZOYFMVFU-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CCCCC(=O)/C=C\C1CC1 307870174 572686461 /nfs/dbraw/zinc/68/64/61/572686461.db2.gz VPDQYVYRSKGRFP-FPLPWBNLSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(CC)C[C@@H](O)[C@@H]1CCCS1 87703527 572686603 /nfs/dbraw/zinc/68/66/03/572686603.db2.gz YYUNKHZJUBHNPQ-ZJUUUORDSA-N 0 0 186.320 2.599 10 30 AFEERN C=C(C)[C@H]1CC[C@H](C(=C)C)C1=O 207861881 572686707 /nfs/dbraw/zinc/68/67/07/572686707.db2.gz OJZOQYIFPRQRKS-NXEZZACHSA-N 0 0 164.248 2.734 10 30 AFEERN CC1=C[C@@H](C#CCl)CCC1 167158646 572686805 /nfs/dbraw/zinc/68/68/05/572686805.db2.gz LWKRUNFNZZHZIG-SECBINFHSA-N 0 0 154.640 2.933 10 30 AFEERN C=C(COC)[C@@]1(O)CCCCC1(C)C 307635813 572688841 /nfs/dbraw/zinc/68/88/41/572688841.db2.gz VXLMEYIPPLSKCS-LBPRGKRZSA-N 0 0 198.306 2.520 10 30 AFEERN C=CC[C@@H]1C/C(=C\C)CC[C@H]1O 306519491 572687357 /nfs/dbraw/zinc/68/73/57/572687357.db2.gz IVPCMCTTXWRUIE-MTUFZTHRSA-N 0 0 166.264 2.670 10 30 AFEERN C=CCC(=C)COC(C)C 307603536 572687666 /nfs/dbraw/zinc/68/76/66/572687666.db2.gz ZWPSJJGJNSZSOF-UHFFFAOYSA-N 0 0 140.226 2.544 10 30 AFEERN C[C@H](Cc1ccccc1)[C@H]1O[C@@H]1C 253484369 572688094 /nfs/dbraw/zinc/68/80/94/572688094.db2.gz GUEWHCACHTXYCH-CKYFFXLPSA-N 0 0 176.259 2.653 10 30 AFEERN Cc1ccc2oc(CC#N)cc2c1 77069968 572688372 /nfs/dbraw/zinc/68/83/72/572688372.db2.gz ZGECCTZJSPMALJ-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN C=CC[C@@H]1Cc2cccc(C)c2N1 307621118 572688383 /nfs/dbraw/zinc/68/83/83/572688383.db2.gz JQSNPISSZNVDGE-LLVKDONJSA-N 0 0 173.259 2.908 10 30 AFEERN CC#CCCSc1nccs1 307659938 572688415 /nfs/dbraw/zinc/68/84/15/572688415.db2.gz BYDYJBMUZBKYMJ-UHFFFAOYSA-N 0 0 183.301 2.649 10 30 AFEERN C=CC[C@@H](O)[C@@H](C)C=C(C)C 307664508 572688555 /nfs/dbraw/zinc/68/85/55/572688555.db2.gz YUZDFABLZOIMJO-VHSXEESVSA-N 0 0 154.253 2.526 10 30 AFEERN C#Cc1ccc(C#C/C=C/Cl)cc1 307649745 572688575 /nfs/dbraw/zinc/68/85/75/572688575.db2.gz PYRJBOLUCGVGQA-ONNFQVAWSA-N 0 0 186.641 2.772 10 30 AFEERN Cc1cccc(C#Cc2cccnc2)c1 116292811 572688993 /nfs/dbraw/zinc/68/89/93/572688993.db2.gz FCIIZVCIFHFHMY-UHFFFAOYSA-N 0 0 193.249 2.790 10 30 AFEERN C=C[C@H](C)Sc1cc(C)nc(C)n1 306560243 572691780 /nfs/dbraw/zinc/69/17/80/572691780.db2.gz REWDXUQTJIXBGV-QMMMGPOBSA-N 0 0 194.303 2.760 10 30 AFEERN C=C[C@H](C)Sc1ccncc1 307675345 572689478 /nfs/dbraw/zinc/68/94/78/572689478.db2.gz FQVGXRIBISYNJY-QMMMGPOBSA-N 0 0 165.261 2.748 10 30 AFEERN C[C@@H]1O[C@@H]1[C@H](C)Cc1ccccc1 253484371 572689496 /nfs/dbraw/zinc/68/94/96/572689496.db2.gz GUEWHCACHTXYCH-JFGNBEQYSA-N 0 0 176.259 2.653 10 30 AFEERN C=C[C@H](O)CC1=CC[C@@H](C)CC1 306548331 572689674 /nfs/dbraw/zinc/68/96/74/572689674.db2.gz FWIGESBRHPKHFL-KOLCDFICSA-N 0 0 166.264 2.670 10 30 AFEERN C[C@H](Cc1ccccc1)[C@@H]1O[C@@H]1C 253484370 572689725 /nfs/dbraw/zinc/68/97/25/572689725.db2.gz GUEWHCACHTXYCH-FOGDFJRCSA-N 0 0 176.259 2.653 10 30 AFEERN CC(C)(C)C#CC[C@H](O)[C@@]1(C)C[C@@H]1F 306590380 572689727 /nfs/dbraw/zinc/68/97/27/572689727.db2.gz AEUGVGQVESKVTB-NHCYSSNCSA-N 0 0 198.281 2.535 10 30 AFEERN CCSCCCC1(C#N)CC1 307871284 572689818 /nfs/dbraw/zinc/68/98/18/572689818.db2.gz JRUSFYFMVXLHBU-UHFFFAOYSA-N 0 0 169.293 2.823 10 30 AFEERN C=CC[C@@H](O)[C@]1(C)CC1(Cl)Cl 306510443 572689870 /nfs/dbraw/zinc/68/98/70/572689870.db2.gz LCAUANHYCBRUAM-RQJHMYQMSA-N 0 0 195.089 2.507 10 30 AFEERN C[C@@H]1O[C@H]1[C@H](C)Cc1ccccc1 253484372 572689893 /nfs/dbraw/zinc/68/98/93/572689893.db2.gz GUEWHCACHTXYCH-SCVCMEIPSA-N 0 0 176.259 2.653 10 30 AFEERN C=CCCC[C@H](O)[C@@H]1CCCS1 87702843 572690230 /nfs/dbraw/zinc/69/02/30/572690230.db2.gz AEIVGMSFDYEJJP-UWVGGRQHSA-N 0 0 186.320 2.599 10 30 AFEERN C=C1[C@H](O)C[C@H](c2ccccc2)[C@H]1C 307622091 572690545 /nfs/dbraw/zinc/69/05/45/572690545.db2.gz POPKYZMHADSADV-TVYUQYBPSA-N 0 0 188.270 2.727 10 30 AFEERN C=CCC[C@@]1(O)CCC[C@H](C)C1 306591906 572690607 /nfs/dbraw/zinc/69/06/07/572690607.db2.gz YWHUPYUURWAXHY-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN C=C[C@H]1CC(=O)[C@H](C/C=C/C)C1 306506797 572690828 /nfs/dbraw/zinc/69/08/28/572690828.db2.gz WDLDBAPRVYUVDI-OTIHIVFHSA-N 0 0 164.248 2.734 10 30 AFEERN C=CCCC[C@@H](O)[C@H]1CCCS1 87702850 572691126 /nfs/dbraw/zinc/69/11/26/572691126.db2.gz AEIVGMSFDYEJJP-NXEZZACHSA-N 0 0 186.320 2.599 10 30 AFEERN C#CCSC[C@@H](C)C(F)(F)F 307624799 572691133 /nfs/dbraw/zinc/69/11/33/572691133.db2.gz OJRSVLRRVXWYSO-ZCFIWIBFSA-N 0 0 182.210 2.551 10 30 AFEERN Cc1cc(CC#N)c(C(C)(C)C)o1 77072501 572691519 /nfs/dbraw/zinc/69/15/19/572691519.db2.gz LEYORRZHGBOSQX-UHFFFAOYSA-N 0 0 177.247 2.952 10 30 AFEERN CCc1oc(C(F)(F)F)cc1C#N 77075963 572691570 /nfs/dbraw/zinc/69/15/70/572691570.db2.gz ADIFLVNETVOSNC-UHFFFAOYSA-N 0 0 189.136 2.732 10 30 AFEERN C=C(CC)C1=C[C@@H]2C[C@H](O)C[C@@H]2C1 306542102 572691613 /nfs/dbraw/zinc/69/16/13/572691613.db2.gz YLERBGZQNKQYGG-WOPDTQHZSA-N 0 0 178.275 2.670 10 30 AFEERN Cc1cc(C#N)c(C(C)C)o1 77072377 572691647 /nfs/dbraw/zinc/69/16/47/572691647.db2.gz QFBDWJYFIJVNGF-UHFFFAOYSA-N 0 0 149.193 2.583 10 30 AFEERN C=C1[C@H](CCO)CC[C@H]1C(C)C 306519997 572691697 /nfs/dbraw/zinc/69/16/97/572691697.db2.gz DBOMUTZDBPJLRL-QWRGUYRKSA-N 0 0 168.280 2.607 10 30 AFEERN Cc1oc(-c2ccncc2)cc1CC#N 77075413 572692021 /nfs/dbraw/zinc/69/20/21/572692021.db2.gz QMIVXNMFDUEVEK-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN C=C(c1ccccc1)[C@@H](C)CC=O 238410363 572692060 /nfs/dbraw/zinc/69/20/60/572692060.db2.gz MFCZSXPIJPQTJS-JTQLQIEISA-N 0 0 174.243 2.925 10 30 AFEERN C=C1C[C@@H]2CC(=O)[C@]23CCCC[C@H]13 306546092 572692323 /nfs/dbraw/zinc/69/23/23/572692323.db2.gz HGRYTQVDLLULPD-CKYFFXLPSA-N 0 0 176.259 2.712 10 30 AFEERN Cc1oc(-c2ccncc2)cc1C#N 77075396 572692341 /nfs/dbraw/zinc/69/23/41/572692341.db2.gz VZSGIKZXDRKZSF-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C=C(C)[C@H](C)CC/C(C)=C/CO 238410850 572692580 /nfs/dbraw/zinc/69/25/80/572692580.db2.gz JFPOJIKRJCIQOL-PFEDMVJOSA-N 0 0 168.280 2.917 10 30 AFEERN Cc1oc(-c2ccccn2)cc1CC#N 77075263 572692654 /nfs/dbraw/zinc/69/26/54/572692654.db2.gz OWXQRURWOCHHIY-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN CCc1oc(C(C)C)cc1C#N 77075769 572692699 /nfs/dbraw/zinc/69/26/99/572692699.db2.gz KLKVOUXRVGBWKO-UHFFFAOYSA-N 0 0 163.220 2.837 10 30 AFEERN Cc1oc(-c2cccnc2)cc1C#N 77075321 572692764 /nfs/dbraw/zinc/69/27/64/572692764.db2.gz GCQMZZQAPBBXSU-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C=C1[C@@H]2CC[C@@H](C2)[C@]1(C)CC(C)=O 306596840 572692777 /nfs/dbraw/zinc/69/27/77/572692777.db2.gz MZYWMCDQJUAQQA-GRYCIOLGSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@@H](C)OCCNc1ccccc1 238410662 572692827 /nfs/dbraw/zinc/69/28/27/572692827.db2.gz STYOELPOCNZVKZ-LLVKDONJSA-N 0 0 191.274 2.690 10 30 AFEERN Cc1oc(-c2cccnc2)cc1CC#N 77075338 572692930 /nfs/dbraw/zinc/69/29/30/572692930.db2.gz TUSXSGOXMCJHCE-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN Cc1cc(CC#N)c(C(C)C)o1 77072393 572692964 /nfs/dbraw/zinc/69/29/64/572692964.db2.gz PFJVVELPZFXUFH-UHFFFAOYSA-N 0 0 163.220 2.778 10 30 AFEERN Cc1oc(-c2ccccn2)cc1C#N 77075246 572692967 /nfs/dbraw/zinc/69/29/67/572692967.db2.gz YLQHIJJAHRMASZ-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C/C=C(/C)C(C)(C)C#N 714530783 572694131 /nfs/dbraw/zinc/69/41/31/572694131.db2.gz ABKUMKATMWATTD-ALCCZGGFSA-N 0 0 123.199 2.502 10 30 AFEERN Cc1cc(C#N)c(C(C)(C)C)o1 77072484 572693428 /nfs/dbraw/zinc/69/34/28/572693428.db2.gz YGUAERBFHKSMMY-UHFFFAOYSA-N 0 0 163.220 2.757 10 30 AFEERN COc1cc([C@@H](C)C#N)ccc1Cl 214832764 572694135 /nfs/dbraw/zinc/69/41/35/572694135.db2.gz AGGYDUNXOKTDOX-ZETCQYMHSA-N 0 0 195.649 2.976 10 30 AFEERN C/N=C(/SC)c1ccccc1C 714531679 572693933 /nfs/dbraw/zinc/69/39/33/572693933.db2.gz BXURJLNEZMRERN-ZHACJKMWSA-N 0 0 179.288 2.734 10 30 AFEERN C=C1CC[C@]2(CCCC[C@H]2CO)C1 306557706 572693973 /nfs/dbraw/zinc/69/39/73/572693973.db2.gz NJBAJBAUVOTSMH-NWDGAFQWSA-N 0 0 180.291 2.895 10 30 AFEERN C[C@@H](CCC#N)Cc1cccc(O)c1 238413836 572693998 /nfs/dbraw/zinc/69/39/98/572693998.db2.gz FMNSATHKKCACRT-JTQLQIEISA-N 0 0 189.258 2.875 10 30 AFEERN C=C[C@@H](C)Nc1cc(C)c(N)cc1F 307620800 572694007 /nfs/dbraw/zinc/69/40/07/572694007.db2.gz FTJMHPPCMWGLJA-MRVPVSSYSA-N 0 0 194.253 2.703 10 30 AFEERN C=CCCC(=O)[C@@H](C)C(=C)C 238415266 572694018 /nfs/dbraw/zinc/69/40/18/572694018.db2.gz ZBLATJNLUHUQAC-VIFPVBQESA-N 0 0 152.237 2.734 10 30 AFEERN C[C@H](C(=O)CCC#N)C(C)(C)C 238415190 572694031 /nfs/dbraw/zinc/69/40/31/572694031.db2.gz CQBNEPPZUNZXBD-MRVPVSSYSA-N 0 0 167.252 2.541 10 30 AFEERN Cc1ccc(O)c([C@@H](C)C#N)c1Cl 214832521 572694058 /nfs/dbraw/zinc/69/40/58/572694058.db2.gz RNCAYKUITBGPID-ZETCQYMHSA-N 0 0 195.649 2.981 10 30 AFEERN C[C@H](CCC=O)C1CCC(C)(O)CC1 238413935 572694231 /nfs/dbraw/zinc/69/42/31/572694231.db2.gz JDYVKNVJHUONOV-VOMCLLRMSA-N 0 0 198.306 2.543 10 30 AFEERN Cc1cc(Cl)c(O)cc1[C@@H](C)C#N 214832068 572694185 /nfs/dbraw/zinc/69/41/85/572694185.db2.gz KTWMTYFXIMSMPZ-ZETCQYMHSA-N 0 0 195.649 2.981 10 30 AFEERN C=C(C)[C@H](O)[C@H]1CC[C@H](CC)C1 306523703 572694225 /nfs/dbraw/zinc/69/42/25/572694225.db2.gz UOTGOZZJRACESL-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1cc(CCC#N)cc(Cl)c1O 214833001 572694243 /nfs/dbraw/zinc/69/42/43/572694243.db2.gz IQEGLLINTPACGJ-UHFFFAOYSA-N 0 0 195.649 2.810 10 30 AFEERN C=C1[C@H](CC)[C@H]1[C@H](O)C(C)(C)C 306544917 572694291 /nfs/dbraw/zinc/69/42/91/572694291.db2.gz ZPODDXWNEXASQN-GUBZILKMSA-N 0 0 168.280 2.606 10 30 AFEERN COc1cc([C@H](C)C#N)ccc1Cl 214832816 572694357 /nfs/dbraw/zinc/69/43/57/572694357.db2.gz AGGYDUNXOKTDOX-SSDOTTSWSA-N 0 0 195.649 2.976 10 30 AFEERN C=CC[C@H](O[C@H](C)C=O)c1ccco1 238413418 572694384 /nfs/dbraw/zinc/69/43/84/572694384.db2.gz LBKBMWPLLUTXOY-KOLCDFICSA-N 0 0 194.230 2.501 10 30 AFEERN C=C1CC[C@@H]2CCC[C@@]2(C)[C@@H](O)C1 306542094 572694759 /nfs/dbraw/zinc/69/47/59/572694759.db2.gz YKLICNHINXTQRX-SDDRHHMPSA-N 0 0 180.291 2.894 10 30 AFEERN C=C(C)CCC[C@@H](C)C(C)=O 238415198 572695202 /nfs/dbraw/zinc/69/52/02/572695202.db2.gz YNMPJYGRWNGRON-SECBINFHSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1cc(Cl)c(O)cc1[C@H](C)C#N 214832120 572694852 /nfs/dbraw/zinc/69/48/52/572694852.db2.gz KTWMTYFXIMSMPZ-SSDOTTSWSA-N 0 0 195.649 2.981 10 30 AFEERN Cc1ccc(Cl)c(O)c1[C@H](C)C#N 214832937 572694863 /nfs/dbraw/zinc/69/48/63/572694863.db2.gz VSLKXSRHFJISER-SSDOTTSWSA-N 0 0 195.649 2.981 10 30 AFEERN C=C1CC[C@@H]2CCC[C@@H](O)[C@]12C 306573604 572694917 /nfs/dbraw/zinc/69/49/17/572694917.db2.gz QMEJVAVJVKPXGH-HBNTYKKESA-N 0 0 166.264 2.504 10 30 AFEERN Cc1ccc(O)c([C@H](C)CCC=O)c1 238414470 572695186 /nfs/dbraw/zinc/69/51/86/572695186.db2.gz XEDWCIGPHKTXGB-SNVBAGLBSA-N 0 0 192.258 2.783 10 30 AFEERN C[C@H](CCC=O)C1=CC(=O)C(C)(C)C1 238413842 572695089 /nfs/dbraw/zinc/69/50/89/572695089.db2.gz KQOXZPPAGUPRQB-SECBINFHSA-N 0 0 194.274 2.527 10 30 AFEERN Cc1cc(O)cc([C@H](C)C#N)c1Cl 214832345 572695141 /nfs/dbraw/zinc/69/51/41/572695141.db2.gz MVPCYAHTNDGPOV-SSDOTTSWSA-N 0 0 195.649 2.981 10 30 AFEERN C=C(CCc1ccccc1)[C@@H](C)O 238415300 572695215 /nfs/dbraw/zinc/69/52/15/572695215.db2.gz LMPAQPCFWJQNOH-LLVKDONJSA-N 0 0 176.259 2.556 10 30 AFEERN C=C1C[C@@H]2CC(=O)[C@@]23CCCC[C@H]13 306546100 572695232 /nfs/dbraw/zinc/69/52/32/572695232.db2.gz HGRYTQVDLLULPD-FOGDFJRCSA-N 0 0 176.259 2.712 10 30 AFEERN C=C[C@H](C(=C)[C@@H](C)O)c1ccccc1 238415527 572695951 /nfs/dbraw/zinc/69/59/51/572695951.db2.gz DFAUUFJHMNMQDJ-DGCLKSJQSA-N 0 0 188.270 2.893 10 30 AFEERN C=CC[C@@H](O[C@H](C)C=O)c1ccco1 238414013 572695425 /nfs/dbraw/zinc/69/54/25/572695425.db2.gz LBKBMWPLLUTXOY-MWLCHTKSSA-N 0 0 194.230 2.501 10 30 AFEERN C=C(C)CCC[C@@H](C)CCOCC=O 238415323 572695483 /nfs/dbraw/zinc/69/54/83/572695483.db2.gz GAFJAAWIKZUMDM-GFCCVEGCSA-N 0 0 198.306 2.975 10 30 AFEERN C=C(C)C[C@H](O)C1(CC)CC1 307640592 572695503 /nfs/dbraw/zinc/69/55/03/572695503.db2.gz GJZZSCITMFZASJ-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN C[C@@H](O)C#Cc1ccc2ccccc2c1 238414421 572696648 /nfs/dbraw/zinc/69/66/48/572696648.db2.gz HRFBNUQRPAUSQH-LLVKDONJSA-N 0 0 196.249 2.572 10 30 AFEERN Cc1cc(O)cc([C@@H](C)C#N)c1Cl 214832298 572695529 /nfs/dbraw/zinc/69/55/29/572695529.db2.gz MVPCYAHTNDGPOV-ZETCQYMHSA-N 0 0 195.649 2.981 10 30 AFEERN Cc1ccc(O)c([C@H](C)C#N)c1Cl 214832571 572695600 /nfs/dbraw/zinc/69/56/00/572695600.db2.gz RNCAYKUITBGPID-SSDOTTSWSA-N 0 0 195.649 2.981 10 30 AFEERN CC#C[C@H](O)[C@@H]1CCC[C@H](CC)C1 306553056 572695622 /nfs/dbraw/zinc/69/56/22/572695622.db2.gz BDLFLKOWSYPMBO-TUAOUCFPSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)[C@H]1[C@@H](C)O 307664203 572695676 /nfs/dbraw/zinc/69/56/76/572695676.db2.gz KEIHLNXAGKCCKG-VLEAKVRGSA-N 0 0 168.280 2.606 10 30 AFEERN C=C[C@H](C)CCCC(=C)CO 238414890 572695719 /nfs/dbraw/zinc/69/57/19/572695719.db2.gz ORSYHPWSDPOUAI-VIFPVBQESA-N 0 0 154.253 2.527 10 30 AFEERN C=CCC[C@@H](C)NC(=O)C(C)(C)C 238413516 572695767 /nfs/dbraw/zinc/69/57/67/572695767.db2.gz JOMFUZDBCGBWBO-SECBINFHSA-N 0 0 183.295 2.503 10 30 AFEERN C=CC[C@@H](O)[C@@]1(C)CCCC(C)(C)O1 307687392 572695826 /nfs/dbraw/zinc/69/58/26/572695826.db2.gz DUMDMXCGDGRDJX-ZYHUDNBSSA-N 0 0 198.306 2.661 10 30 AFEERN C[C@H](CC=O)CCC(=O)C(C)(C)C 238414138 572695835 /nfs/dbraw/zinc/69/58/35/572695835.db2.gz GKITUFFCDUXDTE-VIFPVBQESA-N 0 0 184.279 2.607 10 30 AFEERN C=CCC[C@@H](C)[C@H]1CCCC1=O 238413736 572696011 /nfs/dbraw/zinc/69/60/11/572696011.db2.gz ZMBLKCQQPGECGP-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(O)c([C@@H](C)C#N)c(Cl)c1 214832413 572696017 /nfs/dbraw/zinc/69/60/17/572696017.db2.gz UYWSQNSPXMTGSC-ZETCQYMHSA-N 0 0 195.649 2.981 10 30 AFEERN Cc1c(Cl)ccc(O)c1CCC#N 214833071 572696026 /nfs/dbraw/zinc/69/60/26/572696026.db2.gz NHLBWNZQTNXSHB-UHFFFAOYSA-N 0 0 195.649 2.810 10 30 AFEERN C=C[C@@H](C(=C)[C@@H](C)O)c1ccccc1 238415579 572696081 /nfs/dbraw/zinc/69/60/81/572696081.db2.gz DFAUUFJHMNMQDJ-YPMHNXCESA-N 0 0 188.270 2.893 10 30 AFEERN Cc1cc(O)c([C@H](C)C#N)c(Cl)c1 214832459 572696145 /nfs/dbraw/zinc/69/61/45/572696145.db2.gz UYWSQNSPXMTGSC-SSDOTTSWSA-N 0 0 195.649 2.981 10 30 AFEERN Cc1cc([C@H](C)C#N)cc(O)c1Cl 214832232 572696197 /nfs/dbraw/zinc/69/61/97/572696197.db2.gz DKPWQLLWBYCXPE-SSDOTTSWSA-N 0 0 195.649 2.981 10 30 AFEERN C[C@H](C#N)n1c2c(c3ccccc31)CC2 238414660 572696295 /nfs/dbraw/zinc/69/62/95/572696295.db2.gz SQHBLNRISXFYCK-SECBINFHSA-N 0 0 196.253 2.824 10 30 AFEERN Cc1ccc(O)cc1[C@H](C)CCC=O 238414490 572696338 /nfs/dbraw/zinc/69/63/38/572696338.db2.gz SFYMURYIVVQOFQ-SECBINFHSA-N 0 0 192.258 2.783 10 30 AFEERN Cc1cc(Cl)c(O)cc1CCC#N 214833208 572696447 /nfs/dbraw/zinc/69/64/47/572696447.db2.gz ASBPHASEVZUHAO-UHFFFAOYSA-N 0 0 195.649 2.810 10 30 AFEERN C=CCC[C@@H](C)/C=C(/C)CO 238413757 572696482 /nfs/dbraw/zinc/69/64/82/572696482.db2.gz YUFKIBSEJYPSMP-SBMLRHLQSA-N 0 0 154.253 2.527 10 30 AFEERN Cc1cc([C@@H](C)C#N)cc(O)c1Cl 214832189 572696492 /nfs/dbraw/zinc/69/64/92/572696492.db2.gz DKPWQLLWBYCXPE-ZETCQYMHSA-N 0 0 195.649 2.981 10 30 AFEERN C=C(C)C[C@@H](O)C1(CC)CC1 307640590 572696502 /nfs/dbraw/zinc/69/65/02/572696502.db2.gz GJZZSCITMFZASJ-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN C[C@H](Cc1ccc(F)cc1)[C@H]1O[C@@H]1C 253486620 572696559 /nfs/dbraw/zinc/69/65/59/572696559.db2.gz YLLLWKFNVRPQQN-KBVBSXBZSA-N 0 0 194.249 2.792 10 30 AFEERN C[C@@H]1O[C@@H]1[C@H](C)Cc1ccc(F)cc1 253486623 572696637 /nfs/dbraw/zinc/69/66/37/572696637.db2.gz YLLLWKFNVRPQQN-VDDIYKPWSA-N 0 0 194.249 2.792 10 30 AFEERN C=C[C@H]1CC(=O)[C@@H](C)C[C@H]1C(=C)C 307650342 572696686 /nfs/dbraw/zinc/69/66/86/572696686.db2.gz QNDGHLKBWRPPKY-DCAQKATOSA-N 0 0 178.275 2.980 10 30 AFEERN C=C[C@@H](O)C[C@@H](C)C=C(C)C 307650015 572696732 /nfs/dbraw/zinc/69/67/32/572696732.db2.gz GYTGIPMKFXYBFF-VHSXEESVSA-N 0 0 154.253 2.526 10 30 AFEERN CC1(C)C=CC[C@@]1(C)CC=O 196862430 572700259 /nfs/dbraw/zinc/70/02/59/572700259.db2.gz AIZSHOZHOLKAGD-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1O[C@H]1[C@H](C)Cc1ccc(F)cc1 253486622 572696867 /nfs/dbraw/zinc/69/68/67/572696867.db2.gz YLLLWKFNVRPQQN-PTRXPTGYSA-N 0 0 194.249 2.792 10 30 AFEERN C/N=C(/SC)c1ccc(F)c(C)c1 714531964 572697218 /nfs/dbraw/zinc/69/72/18/572697218.db2.gz LUDPPOJLOGZJPD-ZRDIBKRKSA-N 0 0 197.278 2.874 10 30 AFEERN COc1cc(C)c(Cl)c(CC#N)c1 214834122 572697226 /nfs/dbraw/zinc/69/72/26/572697226.db2.gz VRBPAGYSKCSFBZ-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN COc1cc(CC#N)cc(C)c1Cl 214834053 572697240 /nfs/dbraw/zinc/69/72/40/572697240.db2.gz AJTSGFXARVEWCJ-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN C=CC[C@@H](O)C#CC1CCCCC1 306531955 572697257 /nfs/dbraw/zinc/69/72/57/572697257.db2.gz LKTUPAAOAXJTFM-GFCCVEGCSA-N 0 0 178.275 2.507 10 30 AFEERN CCCC[C@@H](CC)CC=NN 307871974 572697290 /nfs/dbraw/zinc/69/72/90/572697290.db2.gz LWEVVXBNKWPMHX-SECBINFHSA-N 0 0 156.273 2.537 10 30 AFEERN Cc1cc(CC#N)c(C)c(Cl)c1O 214834250 572697381 /nfs/dbraw/zinc/69/73/81/572697381.db2.gz PQJYQMDAARYPRQ-UHFFFAOYSA-N 0 0 195.649 2.729 10 30 AFEERN C=CC[C@H](C)[C@@H](O)Cc1ccccc1 238409717 572697397 /nfs/dbraw/zinc/69/73/97/572697397.db2.gz UVCXTQMWTMIJNU-AAEUAGOBSA-N 0 0 190.286 2.802 10 30 AFEERN Cc1c(Cl)ccc(O)c1[C@@H](C)C#N 214831833 572697400 /nfs/dbraw/zinc/69/74/00/572697400.db2.gz UIJQIOOJFYZSBH-LURJTMIESA-N 0 0 195.649 2.981 10 30 AFEERN C=CC[C@@H](O)[C@@]1(C)CC1(Cl)Cl 306510442 572697441 /nfs/dbraw/zinc/69/74/41/572697441.db2.gz LCAUANHYCBRUAM-RNFRBKRXSA-N 0 0 195.089 2.507 10 30 AFEERN C=C(CC)C[C@@H](O)[C@]1(C)CCCCO1 87761962 572697455 /nfs/dbraw/zinc/69/74/55/572697455.db2.gz ARSPAPGWDUIMLH-NEPJUHHUSA-N 0 0 198.306 2.663 10 30 AFEERN C=CC[C@H](C)[C@H](O)Cc1ccccc1 238409917 572697472 /nfs/dbraw/zinc/69/74/72/572697472.db2.gz UVCXTQMWTMIJNU-WCQYABFASA-N 0 0 190.286 2.802 10 30 AFEERN C=CCCCC(=O)[C@]1(C)CCCCO1 87761609 572697499 /nfs/dbraw/zinc/69/74/99/572697499.db2.gz RVMQRMAVBCMVFU-LBPRGKRZSA-N 0 0 196.290 2.871 10 30 AFEERN Cc1cc(O)cc(CCC#N)c1Cl 214833355 572697560 /nfs/dbraw/zinc/69/75/60/572697560.db2.gz IYBFGVJTICGDBK-UHFFFAOYSA-N 0 0 195.649 2.810 10 30 AFEERN Cc1c(Cl)ccc(O)c1[C@H](C)C#N 214831880 572697573 /nfs/dbraw/zinc/69/75/73/572697573.db2.gz UIJQIOOJFYZSBH-ZCFIWIBFSA-N 0 0 195.649 2.981 10 30 AFEERN C=C(COC)[C@]1(O)CCCCC1(C)C 307635812 572697618 /nfs/dbraw/zinc/69/76/18/572697618.db2.gz VXLMEYIPPLSKCS-GFCCVEGCSA-N 0 0 198.306 2.520 10 30 AFEERN C=CC[C@H](C)/C=C(/C)CCO 238409986 572697677 /nfs/dbraw/zinc/69/76/77/572697677.db2.gz WUHVZPJUFPFXGW-CUQRQBARSA-N 0 0 154.253 2.527 10 30 AFEERN C=C[C@@H](C)Sc1cc(C)nc(C)n1 306560240 572697744 /nfs/dbraw/zinc/69/77/44/572697744.db2.gz REWDXUQTJIXBGV-MRVPVSSYSA-N 0 0 194.303 2.760 10 30 AFEERN CCCCC#CC[C@H]1CCC[C@@H]1O 307624249 572697759 /nfs/dbraw/zinc/69/77/59/572697759.db2.gz RQZTVIFBEMRRRJ-RYUDHWBXSA-N 0 0 180.291 2.731 10 30 AFEERN C=CC[C@H](C)C(=O)c1ccccc1O 238409051 572697815 /nfs/dbraw/zinc/69/78/15/572697815.db2.gz IPEAKMZXXFSGAX-VIFPVBQESA-N 0 0 190.242 2.787 10 30 AFEERN C=CCCC[C@@H](O)[C@@]1(C)CCCCO1 87762377 572697942 /nfs/dbraw/zinc/69/79/42/572697942.db2.gz KGFXPIAPMSQBEA-VXGBXAGGSA-N 0 0 198.306 2.663 10 30 AFEERN C=C(C)[C@]1(C)CC[C@@]2(C)C[C@H]2C1=O 307649865 572698110 /nfs/dbraw/zinc/69/81/10/572698110.db2.gz QGJSOUJZDPPLBM-DLOVCJGASA-N 0 0 178.275 2.958 10 30 AFEERN C#Cc1cccc(OC2CCC2)c1 306535275 572698140 /nfs/dbraw/zinc/69/81/40/572698140.db2.gz FUZRMKHZZXGLPD-UHFFFAOYSA-N 0 0 172.227 2.599 10 30 AFEERN C=CCCC[C@H](O)[C@@]1(C)CCCCO1 87762381 572698157 /nfs/dbraw/zinc/69/81/57/572698157.db2.gz KGFXPIAPMSQBEA-NWDGAFQWSA-N 0 0 198.306 2.663 10 30 AFEERN COc1cc(CC#N)c(Cl)cc1C 214833779 572698208 /nfs/dbraw/zinc/69/82/08/572698208.db2.gz VNXWZPKDKUBBPH-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN C=CCCC[C@H](O)[C@]1(C)CCCCO1 87762382 572698286 /nfs/dbraw/zinc/69/82/86/572698286.db2.gz KGFXPIAPMSQBEA-RYUDHWBXSA-N 0 0 198.306 2.663 10 30 AFEERN C=CCCCC(=O)[C@@]1(C)CCCCO1 87761607 572698380 /nfs/dbraw/zinc/69/83/80/572698380.db2.gz RVMQRMAVBCMVFU-GFCCVEGCSA-N 0 0 196.290 2.871 10 30 AFEERN C=C(C)[C@@H]1[C@H](C)C=CC[C@H]1C(C)=O 306565565 572698426 /nfs/dbraw/zinc/69/84/26/572698426.db2.gz XVVMVSAIDXWHOO-ADEWGFFLSA-N 0 0 178.275 2.980 10 30 AFEERN Cc1cc(CC#N)c(C)c(O)c1Cl 214833983 572698519 /nfs/dbraw/zinc/69/85/19/572698519.db2.gz TVMYAMQWIWYBGJ-UHFFFAOYSA-N 0 0 195.649 2.729 10 30 AFEERN COc1cc([C@H](C)CC=O)ccc1C 238420538 572700389 /nfs/dbraw/zinc/70/03/89/572700389.db2.gz HMPNTKBYNJPFQS-SECBINFHSA-N 0 0 192.258 2.696 10 30 AFEERN CCc1ccc(CCC#N)s1 48772611 572698556 /nfs/dbraw/zinc/69/85/56/572698556.db2.gz OQQHOGZPUSGITL-UHFFFAOYSA-N 0 0 165.261 2.767 10 30 AFEERN C=C1[C@H](CCO)CC[C@@H]1C(C)C 306519998 572698558 /nfs/dbraw/zinc/69/85/58/572698558.db2.gz DBOMUTZDBPJLRL-WDEREUQCSA-N 0 0 168.280 2.607 10 30 AFEERN COc1c(C)cc(CC#N)cc1Cl 214833844 572698586 /nfs/dbraw/zinc/69/85/86/572698586.db2.gz BIZMARFHCPVIAQ-UHFFFAOYSA-N 0 0 195.649 2.723 10 30 AFEERN C=C(C(F)(F)F)[C@](C)(O)C1CCC1 306596381 572698748 /nfs/dbraw/zinc/69/87/48/572698748.db2.gz VDNWPGYGWDNTTD-QMMMGPOBSA-N 0 0 194.196 2.656 10 30 AFEERN C=C[C@@H](O)CC1=CC[C@H](C)CC1 306548330 572698751 /nfs/dbraw/zinc/69/87/51/572698751.db2.gz FWIGESBRHPKHFL-GXSJLCMTSA-N 0 0 166.264 2.670 10 30 AFEERN C=C(CC)C[C@H](O)[C@]1(C)CCCCO1 87761960 572698878 /nfs/dbraw/zinc/69/88/78/572698878.db2.gz ARSPAPGWDUIMLH-RYUDHWBXSA-N 0 0 198.306 2.663 10 30 AFEERN C=CC(=C)[C@@H](C)Oc1ccccc1O 238418911 572698904 /nfs/dbraw/zinc/69/89/04/572698904.db2.gz RTDHFSMWPGRERZ-SNVBAGLBSA-N 0 0 190.242 2.902 10 30 AFEERN C=CC[C@@H](Cc1ccccc1)[C@@H](C)O 238409453 572698919 /nfs/dbraw/zinc/69/89/19/572698919.db2.gz ONZMMMFPFKFXJS-YPMHNXCESA-N 0 0 190.286 2.802 10 30 AFEERN C=C1CC[C@@H]2C(=O)C[C@H]3CCC[C@@]123 306544956 572700334 /nfs/dbraw/zinc/70/03/34/572700334.db2.gz ZTEQJKLNFVFMNC-FOGDFJRCSA-N 0 0 176.259 2.712 10 30 AFEERN C#C[C@@]1(CCCC)CCCC[C@@H]1O 306539541 572700339 /nfs/dbraw/zinc/70/03/39/572700339.db2.gz VBFVBBNCNDJKAB-NWDGAFQWSA-N 0 0 180.291 2.731 10 30 AFEERN Cc1cc(CCC#N)cc(O)c1Cl 214833278 572699012 /nfs/dbraw/zinc/69/90/12/572699012.db2.gz DWEYSAKGIITBIU-UHFFFAOYSA-N 0 0 195.649 2.810 10 30 AFEERN C=CC[C@@H](O)c1cc(C)cs1 306593857 572699095 /nfs/dbraw/zinc/69/90/95/572699095.db2.gz RXHWTZIFNVCOPQ-MRVPVSSYSA-N 0 0 168.261 2.666 10 30 AFEERN Cc1cc(Cl)c(C)c(CC#N)c1O 214834185 572699103 /nfs/dbraw/zinc/69/91/03/572699103.db2.gz BROOKBIWKNUVHE-UHFFFAOYSA-N 0 0 195.649 2.729 10 30 AFEERN CC(C)(C#N)c1ccc(Cl)c(O)c1 214831622 572699307 /nfs/dbraw/zinc/69/93/07/572699307.db2.gz JKSGPUXPIYSGOZ-UHFFFAOYSA-N 0 0 195.649 2.847 10 30 AFEERN C=C[C@@H](O)[C@@H](C)CCC=C(C)C 238419490 572700358 /nfs/dbraw/zinc/70/03/58/572700358.db2.gz KGGPOSHSESKBQS-WDEREUQCSA-N 0 0 168.280 2.916 10 30 AFEERN CCC1(NC2=CC(=O)CC2)CCCC1 307620235 572699370 /nfs/dbraw/zinc/69/93/70/572699370.db2.gz AUUGEMVZVCSRMY-UHFFFAOYSA-N 0 0 193.290 2.546 10 30 AFEERN CCCC[C@H](CC)CC=NN 307871979 572699373 /nfs/dbraw/zinc/69/93/73/572699373.db2.gz LWEVVXBNKWPMHX-VIFPVBQESA-N 0 0 156.273 2.537 10 30 AFEERN C=CC[C@@H]1CC[C@H]2CC(=O)C[C@]12C 306503245 572699416 /nfs/dbraw/zinc/69/94/16/572699416.db2.gz PJDSWLCOLZWRKQ-JFGNBEQYSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCC[C@@H](C=C)[C@@H](C)O 238409709 572699428 /nfs/dbraw/zinc/69/94/28/572699428.db2.gz IUSIORNKORHIJS-NXEZZACHSA-N 0 0 154.253 2.526 10 30 AFEERN C=C(CC)C1=C[C@@H]2C[C@H](O)C[C@H]2C1 306542101 572699539 /nfs/dbraw/zinc/69/95/39/572699539.db2.gz YLERBGZQNKQYGG-UTUOFQBUSA-N 0 0 178.275 2.670 10 30 AFEERN Cc1cc([C@@H](C)C#N)cc(Cl)c1O 214831712 572699573 /nfs/dbraw/zinc/69/95/73/572699573.db2.gz RZFXDUHTHOCABS-ZETCQYMHSA-N 0 0 195.649 2.981 10 30 AFEERN C=C1CCC[N@H+](Cc2ccsc2)C1 306511975 572699596 /nfs/dbraw/zinc/69/95/96/572699596.db2.gz OLDNIQFEQQZLAT-UHFFFAOYSA-N 0 0 193.315 2.900 10 30 AFEERN CC(C)(C)C#CC[C@H](O)[C@@]1(C)C[C@H]1F 306590383 572699627 /nfs/dbraw/zinc/69/96/27/572699627.db2.gz AEUGVGQVESKVTB-SCVCMEIPSA-N 0 0 198.281 2.535 10 30 AFEERN C=C[C@@H](C)Nc1ncc(CC)s1 306515172 572699673 /nfs/dbraw/zinc/69/96/73/572699673.db2.gz VOKPUSXHJKORRT-SSDOTTSWSA-N 0 0 182.292 2.692 10 30 AFEERN C=C(CC)C[C@@H](O)[C@@]1(C)CCCCO1 87761966 572699935 /nfs/dbraw/zinc/69/99/35/572699935.db2.gz ARSPAPGWDUIMLH-VXGBXAGGSA-N 0 0 198.306 2.663 10 30 AFEERN C=C(CC)CC(=O)[C@]1(C)CCCCO1 87761682 572700090 /nfs/dbraw/zinc/70/00/90/572700090.db2.gz SPFLRLJJWCYPBB-LBPRGKRZSA-N 0 0 196.290 2.871 10 30 AFEERN C[C@@H](CCC=O)C1=CC(C)(C)CC1=O 238420782 572700216 /nfs/dbraw/zinc/70/02/16/572700216.db2.gz UPDLAJOAGRVGGB-VIFPVBQESA-N 0 0 194.274 2.527 10 30 AFEERN C[C@@H](CCC=O)C1=CC(=O)C(C)(C)C1 238420748 572700625 /nfs/dbraw/zinc/70/06/25/572700625.db2.gz KQOXZPPAGUPRQB-VIFPVBQESA-N 0 0 194.274 2.527 10 30 AFEERN C[C@@H](CCC=O)C1CCC(C)(O)CC1 238420816 572700662 /nfs/dbraw/zinc/70/06/62/572700662.db2.gz JDYVKNVJHUONOV-UNXYVOJBSA-N 0 0 198.306 2.543 10 30 AFEERN C=CCC[C@H](C)[C@@H]1CCCC1=O 238420615 572700671 /nfs/dbraw/zinc/70/06/71/572700671.db2.gz ZMBLKCQQPGECGP-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CCCCC[C@H]1CCC(C=O)=C1O 116451807 572700780 /nfs/dbraw/zinc/70/07/80/572700780.db2.gz NOVSDOFTPFDDPQ-CUQRQBARSA-N 0 0 182.263 2.988 10 30 AFEERN C=CCC/C(C)=C\C[C@H](C)O 238419404 572700885 /nfs/dbraw/zinc/70/08/85/572700885.db2.gz XPDBUAKLUOGQKX-RNKPRXRFSA-N 0 0 154.253 2.670 10 30 AFEERN C=CCC[C@H](C)NC(=O)C(C)(C)C 238420440 572700934 /nfs/dbraw/zinc/70/09/34/572700934.db2.gz JOMFUZDBCGBWBO-VIFPVBQESA-N 0 0 183.295 2.503 10 30 AFEERN Cc1ccc(O)c([C@@H](C)CCC=O)c1 238421390 572701053 /nfs/dbraw/zinc/70/10/53/572701053.db2.gz XEDWCIGPHKTXGB-JTQLQIEISA-N 0 0 192.258 2.783 10 30 AFEERN C=CCOCC1([C@H](C)O)CCCCC1 238420655 572701101 /nfs/dbraw/zinc/70/11/01/572701101.db2.gz ZGFYZHNVPIXBDR-NSHDSACASA-N 0 0 198.306 2.520 10 30 AFEERN CC1=C2CCC[C@H](C)[C@H]2CC1=O 196861015 572701114 /nfs/dbraw/zinc/70/11/14/572701114.db2.gz YQTCKGSXVXFFLR-OIBJUYFYSA-N 0 0 164.248 2.712 10 30 AFEERN CC#CC1(O)CCC(C(C)C)CC1 307612322 572701138 /nfs/dbraw/zinc/70/11/38/572701138.db2.gz IEJUEGXGQZLWOJ-UHFFFAOYSA-N 0 0 180.291 2.587 10 30 AFEERN CC1=C2CCC[C@H](C)[C@@H]2CC1=O 196860992 572701126 /nfs/dbraw/zinc/70/11/26/572701126.db2.gz YQTCKGSXVXFFLR-XVKPBYJWSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@@](C)(CO)CCCC 214834451 572701254 /nfs/dbraw/zinc/70/12/54/572701254.db2.gz KCBUYODNPAXXAN-SNVBAGLBSA-N 0 0 156.269 2.751 10 30 AFEERN C=CCC[C@H]1CC(=O)CC1(C)C 221875431 572701378 /nfs/dbraw/zinc/70/13/78/572701378.db2.gz DLHDEYBPSJLIMP-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN CC1=C2CCC[C@@H](C)[C@H]2CC1=O 196861003 572701499 /nfs/dbraw/zinc/70/14/99/572701499.db2.gz YQTCKGSXVXFFLR-GMSGAONNSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1C(=O)CCCC[C@H]1CC 196865594 572701537 /nfs/dbraw/zinc/70/15/37/572701537.db2.gz MTDFCAXTQOHUNV-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN N#Cc1ccccc1-c1cscn1 116463552 572701643 /nfs/dbraw/zinc/70/16/43/572701643.db2.gz SYUDWDYCTUEANN-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN CC1=C2CCC[C@@H](C)[C@@H]2CC1=O 196860981 572701676 /nfs/dbraw/zinc/70/16/76/572701676.db2.gz YQTCKGSXVXFFLR-XCBNKYQSSA-N 0 0 164.248 2.712 10 30 AFEERN CCCCC[C@@H]1CCC(C=O)=C1O 116451811 572701603 /nfs/dbraw/zinc/70/16/03/572701603.db2.gz NOVSDOFTPFDDPQ-NCXKZPMSSA-N 0 0 182.263 2.988 10 30 AFEERN CC(=C=C=C(C)[C@@H](C)O)CCCC#N 238421253 572701604 /nfs/dbraw/zinc/70/16/04/572701604.db2.gz PYZTXVJVQJBBQP-GFCCVEGCSA-N 0 0 191.274 2.708 10 30 AFEERN CC#C[C@@H](O)c1cc(F)cc(Cl)c1 306582629 572701618 /nfs/dbraw/zinc/70/16/18/572701618.db2.gz COCQWHUZTQUDCU-SNVBAGLBSA-N 0 0 198.624 2.536 10 30 AFEERN CCCCC[C@H]1CCC(C=O)=C1O 116451814 572701831 /nfs/dbraw/zinc/70/18/31/572701831.db2.gz NOVSDOFTPFDDPQ-WKMLFNHBSA-N 0 0 182.263 2.988 10 30 AFEERN C=C1[C@H](C(C)(C)C)[C@H]1[C@H](O)C(C)C 307687167 572701863 /nfs/dbraw/zinc/70/18/63/572701863.db2.gz DNOGMZCKYWFIFR-GARJFASQSA-N 0 0 182.307 2.852 10 30 AFEERN C=CCC[C@H](C)CCC(C)=O 238419892 572701865 /nfs/dbraw/zinc/70/18/65/572701865.db2.gz HYTRAZNUUGDRMP-VIFPVBQESA-N 0 0 154.253 2.958 10 30 AFEERN Cc1ccc(O)cc1[C@@H](C)CCC=O 238421408 572702024 /nfs/dbraw/zinc/70/20/24/572702024.db2.gz SFYMURYIVVQOFQ-VIFPVBQESA-N 0 0 192.258 2.783 10 30 AFEERN C=C[C@@H]1C[C@H](/C=C/CO)[C@H]2C=CC[C@@H]12 306570720 572702511 /nfs/dbraw/zinc/70/25/11/572702511.db2.gz NNRIIMRTAJGHDW-RHBKPLPASA-N 0 0 190.286 2.549 10 30 AFEERN C=C[C@@H]1C[C@@H](C=C)C[C@H]1C(C)=O 306510048 572702527 /nfs/dbraw/zinc/70/25/27/572702527.db2.gz CGNCSMREACAKGC-MXWKQRLJSA-N 0 0 164.248 2.590 10 30 AFEERN C[C@@H]1CC=CCC[C@@H](C=O)C1 238429217 572702623 /nfs/dbraw/zinc/70/26/23/572702623.db2.gz ULVVTXLXMXIUPG-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN N#CC1(c2ccc(Cl)c(O)c2)CC1 214754305 572702656 /nfs/dbraw/zinc/70/26/56/572702656.db2.gz GPTPESZERNVALC-UHFFFAOYSA-N 0 0 193.633 2.601 10 30 AFEERN C=C[C@@](F)(CC=C(C)C)[C@H](C)O 238429465 572702683 /nfs/dbraw/zinc/70/26/83/572702683.db2.gz OUMPTNQQHGSBIS-VHSXEESVSA-N 0 0 172.243 2.618 10 30 AFEERN C=C(CCC=C(C)C)[C@H](C)CO 238429542 572702790 /nfs/dbraw/zinc/70/27/90/572702790.db2.gz OUEGYQDDDCNEKI-LLVKDONJSA-N 0 0 168.280 2.917 10 30 AFEERN C[C@H](O)CCCC#CC[Si](C)(C)C 238429172 572702889 /nfs/dbraw/zinc/70/28/89/572702889.db2.gz UGNHUWADMUTUNX-NSHDSACASA-N 0 0 198.382 2.879 10 30 AFEERN C=C(CCC[C@H](C)O)[Si](C)(C)C 238429216 572702968 /nfs/dbraw/zinc/70/29/68/572702968.db2.gz SVDXDDANHMBODZ-VIFPVBQESA-N 0 0 186.371 2.971 10 30 AFEERN O=C1C=C(C2CC=CC2)CCC1 196531371 572703063 /nfs/dbraw/zinc/70/30/63/572703063.db2.gz GDILDBPJGSGKBY-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN CC[C@H]1CCCC[C@]1(C#N)NC1CC1 70568455 572703187 /nfs/dbraw/zinc/70/31/87/572703187.db2.gz DZVMSUUWOILPOM-CMPLNLGQSA-N 0 0 192.306 2.601 10 30 AFEERN C=C[C@@H](C)Nc1ncc2ccccc2n1 159068268 572703234 /nfs/dbraw/zinc/70/32/34/572703234.db2.gz JURFFBHQFDXEQT-SECBINFHSA-N 0 0 199.257 2.616 10 30 AFEERN C=C1/C(=C\Cl)[C@@H]2[C@@H]3C=C[C@H]1[C@@H]32 307625493 572703279 /nfs/dbraw/zinc/70/32/79/572703279.db2.gz GNOKXBPYIHYSLX-BUFNKAQQSA-N 0 0 164.635 2.727 10 30 AFEERN C=C[C@@H](C)C1(OCCO)CCCCC1 238434626 572703439 /nfs/dbraw/zinc/70/34/39/572703439.db2.gz YSTHKNGCOXJZII-LLVKDONJSA-N 0 0 198.306 2.520 10 30 AFEERN C=C[C@@]1(C(C)C)CCC[C@@H](O)C1 306694906 572704076 /nfs/dbraw/zinc/70/40/76/572704076.db2.gz VGTJXTSJQBUZNG-GHMZBOCLSA-N 0 0 168.280 2.750 10 30 AFEERN CCc1ccccc1/C=C/C(C)=O 70586477 572704145 /nfs/dbraw/zinc/70/41/45/572704145.db2.gz KMAGAJXFAHGUCF-CMDGGOBGSA-N 0 0 174.243 2.851 10 30 AFEERN C[C@H](O)/C=C/C/C=C/CCCC#N 238433051 572704167 /nfs/dbraw/zinc/70/41/67/572704167.db2.gz XMWIJYYOVRHNKL-FCZWUDKZSA-N 0 0 179.263 2.564 10 30 AFEERN C=C1[C@H](CC)[C@@]12CCCCC[C@H]2O 306694838 572704396 /nfs/dbraw/zinc/70/43/96/572704396.db2.gz UDJOMZGNECOXBO-QJPTWQEYSA-N 0 0 180.291 2.894 10 30 AFEERN C#C[C@H](C)C[C@H](O)C[C@@H](C)CCC 214839482 572704416 /nfs/dbraw/zinc/70/44/16/572704416.db2.gz JMDHPLMUUYHNQY-SRVKXCTJSA-N 0 0 182.307 2.833 10 30 AFEERN CC#C[C@H](O)[C@@H]1CCCC[C@H]1CC 306645059 572704467 /nfs/dbraw/zinc/70/44/67/572704467.db2.gz DZIUXEVCSGYPKX-UTUOFQBUSA-N 0 0 180.291 2.587 10 30 AFEERN C[C@H](CCO)CCCC(C)(C)C#N 238433698 572704631 /nfs/dbraw/zinc/70/46/31/572704631.db2.gz FYJSCOGHNDNCCY-JTQLQIEISA-N 0 0 183.295 2.725 10 30 AFEERN CC(=O)/C=C/c1ccnc2ccccc12 70586427 572704657 /nfs/dbraw/zinc/70/46/57/572704657.db2.gz MTGHGXCPKQSNIU-VOTSOKGWSA-N 0 0 197.237 2.837 10 30 AFEERN C=C[C@@](C)(O)[C@H]1CC2CCC1CC2 306664046 572704724 /nfs/dbraw/zinc/70/47/24/572704724.db2.gz RLXZGZKVCKZKBP-MMVSWEMESA-N 0 0 180.291 2.750 10 30 AFEERN COc1ccc(/C=C/C(C)=O)cc1C 70586503 572704921 /nfs/dbraw/zinc/70/49/21/572704921.db2.gz JVEWHDKVNQELPT-SNAWJCMRSA-N 0 0 190.242 2.606 10 30 AFEERN C#C[C@H](C)C[C@@H](O)C[C@H](C)CCC 214839325 572705026 /nfs/dbraw/zinc/70/50/26/572705026.db2.gz JMDHPLMUUYHNQY-QJPTWQEYSA-N 0 0 182.307 2.833 10 30 AFEERN C=C1C[C@]23CCCC[C@@H]2CC[C@H](O)[C@H]13 306638404 572705709 /nfs/dbraw/zinc/70/57/09/572705709.db2.gz BWDYWVANNJIOAE-MROQNXINSA-N 0 0 192.302 2.894 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)CC[C@@H](C)C1 306688379 572705768 /nfs/dbraw/zinc/70/57/68/572705768.db2.gz JGSKKETWUVOAIF-SVRRBLITSA-N 0 0 194.196 2.656 10 30 AFEERN C=C[C@@H](C)C(=O)CC1=CCCC1 238434277 572705942 /nfs/dbraw/zinc/70/59/42/572705942.db2.gz KPHOFFGEEJDURM-SECBINFHSA-N 0 0 164.248 2.878 10 30 AFEERN C#C[C@H](C)C[C@H](O)C[C@H](C)CCC 214839434 572706075 /nfs/dbraw/zinc/70/60/75/572706075.db2.gz JMDHPLMUUYHNQY-TUAOUCFPSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@@H]1CCCC[C@@]1(C#N)NC1CC1 70568452 572706119 /nfs/dbraw/zinc/70/61/19/572706119.db2.gz DZVMSUUWOILPOM-PWSUYJOCSA-N 0 0 192.306 2.601 10 30 AFEERN C#C[C@H](C)C[C@@H](O)C[C@@H](C)CCC 214839377 572706133 /nfs/dbraw/zinc/70/61/33/572706133.db2.gz JMDHPLMUUYHNQY-SDDRHHMPSA-N 0 0 182.307 2.833 10 30 AFEERN C=C(C)C/C=C/CC[C@H](C)O 238426738 572707164 /nfs/dbraw/zinc/70/71/64/572707164.db2.gz FOSZJCCBIUTNJT-YEZKRMTDSA-N 0 0 154.253 2.670 10 30 AFEERN C[C@@H]1CC=C(C#CCO)c2ccccc21 238426923 572707196 /nfs/dbraw/zinc/70/71/96/572707196.db2.gz CLMBHFHMOLLSSA-LLVKDONJSA-N 0 0 198.265 2.573 10 30 AFEERN CS[C@@H](C)C(=NO)c1ccccc1 254330975 572707393 /nfs/dbraw/zinc/70/73/93/572707393.db2.gz VFIQXMWAJDVKDL-QMMMGPOBSA-N 0 0 195.287 2.616 10 30 AFEERN C=C[C@]1(C(C)C)CCC[C@@H](O)C1 306694908 572711386 /nfs/dbraw/zinc/71/13/86/572711386.db2.gz VGTJXTSJQBUZNG-MNOVXSKESA-N 0 0 168.280 2.750 10 30 AFEERN C[C@@H]1CC=C(C#CC=O)c2ccccc21 238426908 572707534 /nfs/dbraw/zinc/70/75/34/572707534.db2.gz JEPKDTKQLUEQEB-LLVKDONJSA-N 0 0 196.249 2.780 10 30 AFEERN C=CCC/C=C/CC[C@H](C)O 238435783 572707546 /nfs/dbraw/zinc/70/75/46/572707546.db2.gz CYUJAPWWJZKLFA-FGEFZZPRSA-N 0 0 154.253 2.670 10 30 AFEERN CCc1oc(-c2ccccn2)cc1C#N 77078066 572708078 /nfs/dbraw/zinc/70/80/78/572708078.db2.gz VOFJKJWJJFESKR-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN CC(Cc1c[nH]c2ccccc12)=NO 254311202 572708341 /nfs/dbraw/zinc/70/83/41/572708341.db2.gz XENYFGWDBDFAKA-UHFFFAOYSA-N 0 0 188.230 2.561 10 30 AFEERN C=C[C@@H](O)[C@@H](C)Sc1ccccc1 238424635 572708542 /nfs/dbraw/zinc/70/85/42/572708542.db2.gz JDPCJMDNQRNULM-MWLCHTKSSA-N 0 0 194.299 2.714 10 30 AFEERN C=C(CCc1ccccc1)C[C@H](C)O 238424492 572708614 /nfs/dbraw/zinc/70/86/14/572708614.db2.gz XNNXILUYWIXNGF-LBPRGKRZSA-N 0 0 190.286 2.946 10 30 AFEERN CCc1oc(-c2cccnc2)cc1C#N 77078125 572708635 /nfs/dbraw/zinc/70/86/35/572708635.db2.gz XOKSMUDZPRZMNW-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN CC#C[C@@]1(O)CCC[C@H](CC(C)C)C1 306657406 572708665 /nfs/dbraw/zinc/70/86/65/572708665.db2.gz HYURDQZAXKNUJN-CHWSQXEVSA-N 0 0 194.318 2.977 10 30 AFEERN C=C(CC(=C)C(=C)C)C[C@@H](C)O 238426507 572708690 /nfs/dbraw/zinc/70/86/90/572708690.db2.gz OGEZCGUIMUGPEE-LLVKDONJSA-N 0 0 166.264 2.836 10 30 AFEERN CC1=CC(=O)C[C@@H]2CCC[C@@H]2C=C1 308100241 572708692 /nfs/dbraw/zinc/70/86/92/572708692.db2.gz DGDVKZZSCVCDEZ-MNOVXSKESA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@H]1OCc2ccccc2C1=C 21990730 572708706 /nfs/dbraw/zinc/70/87/06/572708706.db2.gz VLXPAOHSIIIWNV-LBPRGKRZSA-N 0 0 172.227 2.785 10 30 AFEERN CC(C)[C@H](C)SCC[C@@H]1CO1 307878909 572708815 /nfs/dbraw/zinc/70/88/15/572708815.db2.gz PJYTVLVNIAPYEI-DTWKUNHWSA-N 0 0 174.309 2.553 10 30 AFEERN C=C[C@@H](C)C[C@H](O)c1ccco1 308099943 572708832 /nfs/dbraw/zinc/70/88/32/572708832.db2.gz FYDHXDMCFFAUDJ-BDAKNGLRSA-N 0 0 166.220 2.525 10 30 AFEERN C=C(CCc1ccccc1)C[C@@H](C)O 238426529 572708960 /nfs/dbraw/zinc/70/89/60/572708960.db2.gz XNNXILUYWIXNGF-GFCCVEGCSA-N 0 0 190.286 2.946 10 30 AFEERN CC(C)[C@H](C)SCC[C@H]1CO1 307878911 572709286 /nfs/dbraw/zinc/70/92/86/572709286.db2.gz PJYTVLVNIAPYEI-IUCAKERBSA-N 0 0 174.309 2.553 10 30 AFEERN C=C[C@@H](C)C[C@@H](O)c1ccco1 308099945 572709472 /nfs/dbraw/zinc/70/94/72/572709472.db2.gz FYDHXDMCFFAUDJ-RKDXNWHRSA-N 0 0 166.220 2.525 10 30 AFEERN CCc1oc(-c2ccncc2)cc1C#N 77078184 572709579 /nfs/dbraw/zinc/70/95/79/572709579.db2.gz FIPAILQZUWPNNJ-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN C#CCC[C@@H](O)c1cccc(F)c1C 306689391 572709731 /nfs/dbraw/zinc/70/97/31/572709731.db2.gz OCGHTZMIBDTDEC-GFCCVEGCSA-N 0 0 192.233 2.581 10 30 AFEERN C=C[C@H](O)[C@@H](C)Sc1ccccc1 238424583 572709753 /nfs/dbraw/zinc/70/97/53/572709753.db2.gz JDPCJMDNQRNULM-KOLCDFICSA-N 0 0 194.299 2.714 10 30 AFEERN CC(C)[C@@H](C)SCC[C@H]1CO1 307878908 572709783 /nfs/dbraw/zinc/70/97/83/572709783.db2.gz PJYTVLVNIAPYEI-BDAKNGLRSA-N 0 0 174.309 2.553 10 30 AFEERN C=C(C)CC(=C)C(=C)C[C@H](C)O 238424380 572709794 /nfs/dbraw/zinc/70/97/94/572709794.db2.gz KPTQTDMCNPFWDF-NSHDSACASA-N 0 0 166.264 2.836 10 30 AFEERN C=C[C@H](C)C[C@H](O)c1ccco1 308099944 572709816 /nfs/dbraw/zinc/70/98/16/572709816.db2.gz FYDHXDMCFFAUDJ-IUCAKERBSA-N 0 0 166.220 2.525 10 30 AFEERN NN=C1C=Cc2cccc3cccc1c23 254311579 572710080 /nfs/dbraw/zinc/71/00/80/572710080.db2.gz HPLDEWYDQJJTIC-UHFFFAOYSA-N 0 0 194.237 2.529 10 30 AFEERN CC(C)[C@@H](C)SCC[C@@H]1CO1 307878912 572710219 /nfs/dbraw/zinc/71/02/19/572710219.db2.gz PJYTVLVNIAPYEI-RKDXNWHRSA-N 0 0 174.309 2.553 10 30 AFEERN CC1=CC(=O)C[C@@H]2CCC[C@H]2C=C1 308100244 572710257 /nfs/dbraw/zinc/71/02/57/572710257.db2.gz DGDVKZZSCVCDEZ-QWRGUYRKSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC(=O)C[C@H]2CCC[C@@H]2C=C1 308100238 572710333 /nfs/dbraw/zinc/71/03/33/572710333.db2.gz DGDVKZZSCVCDEZ-GHMZBOCLSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H]1CCC[C@H](SC[C@@H]2CO2)C1 54691534 572716307 /nfs/dbraw/zinc/71/63/07/572716307.db2.gz UMUDDFZLYAANPQ-UTLUCORTSA-N 0 0 186.320 2.697 10 30 AFEERN COCc1oc(C(C)(C)C)cc1C#N 77086792 572710825 /nfs/dbraw/zinc/71/08/25/572710825.db2.gz FIQNTPABSMYUAT-UHFFFAOYSA-N 0 0 193.246 2.595 10 30 AFEERN C=C1C[C@H](O)C[C@H]2C[C@@H]1CC=C2C 306624632 572710887 /nfs/dbraw/zinc/71/08/87/572710887.db2.gz FPBNTCAKAOQYNI-TUAOUCFPSA-N 0 0 178.275 2.670 10 30 AFEERN C=C[C@H](C)N[C@H]1CCCCC1(F)F 306604928 572710872 /nfs/dbraw/zinc/71/08/72/572710872.db2.gz FNANRMZZVMAQMM-IUCAKERBSA-N 0 0 189.249 2.728 10 30 AFEERN ON=C1c2ccccc2C=C[C@H]2C[C@H]12 254301864 572711463 /nfs/dbraw/zinc/71/14/63/572711463.db2.gz JUSPGVQXHBEXFV-ONGXEEELSA-N 0 0 185.226 2.528 10 30 AFEERN CCCc1oc(C)cc1CC#N 77080369 572711985 /nfs/dbraw/zinc/71/19/85/572711985.db2.gz UUYZWYOIYDBMEX-UHFFFAOYSA-N 0 0 163.220 2.607 10 30 AFEERN CC[C@@H](C)C(=NO)c1ccccc1 254294741 572712198 /nfs/dbraw/zinc/71/21/98/572712198.db2.gz ZWXGJRIWYWRUFF-SECBINFHSA-N 0 0 177.247 2.911 10 30 AFEERN C=C[C@@H](C)[C@@H](CO)c1cccs1 238435105 572712211 /nfs/dbraw/zinc/71/22/11/572712211.db2.gz DBSJLVZHLSKCKG-RKDXNWHRSA-N 0 0 182.288 2.646 10 30 AFEERN Cc1cc(CC#N)c(C2CC2)o1 77082437 572712252 /nfs/dbraw/zinc/71/22/52/572712252.db2.gz SIZNMPWYFUJBKQ-UHFFFAOYSA-N 0 0 161.204 2.532 10 30 AFEERN ON=C1c2ccccc2C=C[C@@H]2C[C@@H]12 254301863 572712284 /nfs/dbraw/zinc/71/22/84/572712284.db2.gz JUSPGVQXHBEXFV-MWLCHTKSSA-N 0 0 185.226 2.528 10 30 AFEERN C=CCNC1(C#N)CCC(C)(C)CC1 70623234 572712459 /nfs/dbraw/zinc/71/24/59/572712459.db2.gz KOWXRVQVSFUEGV-UHFFFAOYSA-N 0 0 192.306 2.625 10 30 AFEERN CC[C@H](C)C(=NO)c1ccccc1 254294742 572712612 /nfs/dbraw/zinc/71/26/12/572712612.db2.gz ZWXGJRIWYWRUFF-VIFPVBQESA-N 0 0 177.247 2.911 10 30 AFEERN CC(C)[C@@H]1CCCN([C@@H](C)C#N)CC1 70613481 572712645 /nfs/dbraw/zinc/71/26/45/572712645.db2.gz GBEPCUZCORUWOE-NWDGAFQWSA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)[C@H]1CCCN([C@@H](C)C#N)CC1 70613482 572713179 /nfs/dbraw/zinc/71/31/79/572713179.db2.gz GBEPCUZCORUWOE-RYUDHWBXSA-N 0 0 194.322 2.657 10 30 AFEERN CCCNC1(C#N)CCC(C)(C)CC1 70623223 572713321 /nfs/dbraw/zinc/71/33/21/572713321.db2.gz GPWRPPQUAMFHOF-UHFFFAOYSA-N 0 0 194.322 2.849 10 30 AFEERN C=C[C@@H](C)N[C@H]1CCCCC1(F)F 306604924 572713330 /nfs/dbraw/zinc/71/33/30/572713330.db2.gz FNANRMZZVMAQMM-BDAKNGLRSA-N 0 0 189.249 2.728 10 30 AFEERN C#CCC[C@@H](O)c1ccsc1C 306658433 572713356 /nfs/dbraw/zinc/71/33/56/572713356.db2.gz NXSQZDVSSYHWHZ-SNVBAGLBSA-N 0 0 180.272 2.503 10 30 AFEERN ON=C1c2ccccc2C=C[C@@H]2C[C@H]12 254301862 572713376 /nfs/dbraw/zinc/71/33/76/572713376.db2.gz JUSPGVQXHBEXFV-KOLCDFICSA-N 0 0 185.226 2.528 10 30 AFEERN C=C1C[C@]23CCCC[C@@H]2CC[C@@H](O)[C@H]13 306638401 572713433 /nfs/dbraw/zinc/71/34/33/572713433.db2.gz BWDYWVANNJIOAE-FVCCEPFGSA-N 0 0 192.302 2.894 10 30 AFEERN CC1=CC(=O)C[C@H]2CCC[C@H]2C=C1 308100248 572713562 /nfs/dbraw/zinc/71/35/62/572713562.db2.gz DGDVKZZSCVCDEZ-WDEREUQCSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCCC/C=C/CO[C@H](C)CCO 238435026 572713637 /nfs/dbraw/zinc/71/36/37/572713637.db2.gz KUDYOQFGJUFNCL-ABZNLYFFSA-N 0 0 198.306 2.686 10 30 AFEERN ON=C1c2ccccc2C=C[C@H]2C[C@@H]12 254301861 572713822 /nfs/dbraw/zinc/71/38/22/572713822.db2.gz JUSPGVQXHBEXFV-GXSJLCMTSA-N 0 0 185.226 2.528 10 30 AFEERN COCc1oc(C(C)C)cc1CC#N 77086721 572713825 /nfs/dbraw/zinc/71/38/25/572713825.db2.gz UAXBDYOPRXWWNO-UHFFFAOYSA-N 0 0 193.246 2.615 10 30 AFEERN Oc1ccc(N=Cc2ccco2)cc1 254294805 572713904 /nfs/dbraw/zinc/71/39/04/572713904.db2.gz OQKBHMCXTJSDLH-UHFFFAOYSA-N 0 0 187.198 2.736 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)CC[C@H](C)C1 306688380 572713915 /nfs/dbraw/zinc/71/39/15/572713915.db2.gz JGSKKETWUVOAIF-XPUUQOCRSA-N 0 0 194.196 2.656 10 30 AFEERN CC1(C)CCC(C#N)(NC2CC2)CC1 70623225 572713984 /nfs/dbraw/zinc/71/39/84/572713984.db2.gz DWPRHXLMXPPICN-UHFFFAOYSA-N 0 0 192.306 2.601 10 30 AFEERN C[C@H]1CCC[C@H](SCC#N)C1 54690781 572714297 /nfs/dbraw/zinc/71/42/97/572714297.db2.gz HXIDZIMFNWSBLN-IUCAKERBSA-N 0 0 169.293 2.822 10 30 AFEERN CC(CSC1CCCC1)=NO 307878119 572714552 /nfs/dbraw/zinc/71/45/52/572714552.db2.gz PAQVYECYZJGGMJ-UHFFFAOYSA-N 0 0 173.281 2.512 10 30 AFEERN C=C[C@H](C)CC[C@@H](O)c1ccco1 238437337 572714594 /nfs/dbraw/zinc/71/45/94/572714594.db2.gz QGEPFPNUSSDDOY-VHSXEESVSA-N 0 0 180.247 2.915 10 30 AFEERN C=CCN[C@@]1(C#N)CCCC(C)(C)C1 70629125 572715061 /nfs/dbraw/zinc/71/50/61/572715061.db2.gz GGYOTYKLOLONMD-LBPRGKRZSA-N 0 0 192.306 2.625 10 30 AFEERN C[C@@H]1CCC[C@@H](SCC#N)C1 54690784 572715297 /nfs/dbraw/zinc/71/52/97/572715297.db2.gz HXIDZIMFNWSBLN-RKDXNWHRSA-N 0 0 169.293 2.822 10 30 AFEERN C=CCN[C@]1(C#N)CCCC(C)(C)C1 70629124 572715358 /nfs/dbraw/zinc/71/53/58/572715358.db2.gz GGYOTYKLOLONMD-GFCCVEGCSA-N 0 0 192.306 2.625 10 30 AFEERN C[C@H](O)c1cc(C#N)cc2ccccc12 238435475 572715639 /nfs/dbraw/zinc/71/56/39/572715639.db2.gz RWDHKZYFVFHVBP-VIFPVBQESA-N 0 0 197.237 2.765 10 30 AFEERN C=C[C@@H](O)c1csc2c1CCCC2 306649572 572716077 /nfs/dbraw/zinc/71/60/77/572716077.db2.gz BPGBCZLNLKDGTC-SNVBAGLBSA-N 0 0 194.299 2.846 10 30 AFEERN C=C([C@H](O)[C@H]1CC1(C)C)C(F)(F)F 306689223 572716154 /nfs/dbraw/zinc/71/61/54/572716154.db2.gz NUMVOXHUTKCTHV-RQJHMYQMSA-N 0 0 194.196 2.512 10 30 AFEERN C[C@H]1CCC[C@@H](SCC#N)C1 54690787 572716189 /nfs/dbraw/zinc/71/61/89/572716189.db2.gz HXIDZIMFNWSBLN-DTWKUNHWSA-N 0 0 169.293 2.822 10 30 AFEERN C=C(C)[C@]1(C)CC[C@@H](C)C[C@@H]1O 306691644 572716385 /nfs/dbraw/zinc/71/63/85/572716385.db2.gz OHPZPCOUSKOSJV-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C[C@@H]1CCC[C@@H](SC[C@@H]2CO2)C1 54691540 572716434 /nfs/dbraw/zinc/71/64/34/572716434.db2.gz UMUDDFZLYAANPQ-KXUCPTDWSA-N 0 0 186.320 2.697 10 30 AFEERN CC(C)C=Nc1ccccc1N 307881378 572716465 /nfs/dbraw/zinc/71/64/65/572716465.db2.gz ZZDADCUQNBXNRO-UHFFFAOYSA-N 0 0 162.236 2.627 10 30 AFEERN C[C@H]1CCC[C@H](SC[C@@H]2CO2)C1 54691537 572716541 /nfs/dbraw/zinc/71/65/41/572716541.db2.gz UMUDDFZLYAANPQ-GUBZILKMSA-N 0 0 186.320 2.697 10 30 AFEERN C=C[C@@H](C)[C@@H](O)CCC(F)(F)F 238435528 572716551 /nfs/dbraw/zinc/71/65/51/572716551.db2.gz DQCWSGOPZOZLNR-RQJHMYQMSA-N 0 0 182.185 2.512 10 30 AFEERN CC#CCCSC[C@H](F)CC 307877235 572716587 /nfs/dbraw/zinc/71/65/87/572716587.db2.gz OOCLZDJYDNPVEW-SECBINFHSA-N 0 0 174.284 2.881 10 30 AFEERN C=CC1=C([C@@H](O)[C@H](C)C=C)CCC1 238437331 572716730 /nfs/dbraw/zinc/71/67/30/572716730.db2.gz AQMGOHIINBOYRQ-SKDRFNHKSA-N 0 0 178.275 2.836 10 30 AFEERN CC#CCCSC[C@@H](F)CC 307877236 572716802 /nfs/dbraw/zinc/71/68/02/572716802.db2.gz OOCLZDJYDNPVEW-VIFPVBQESA-N 0 0 174.284 2.881 10 30 AFEERN C=C[C@H]1C[C@]2(C)CCC(=O)C[C@]12C 306662439 572716863 /nfs/dbraw/zinc/71/68/63/572716863.db2.gz UBDMDALCXDHEOH-ZMLRMANQSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H]1CCC[C@H](SCC#N)C1 54690778 572717006 /nfs/dbraw/zinc/71/70/06/572717006.db2.gz HXIDZIMFNWSBLN-BDAKNGLRSA-N 0 0 169.293 2.822 10 30 AFEERN C[C@H]1CCC[C@@H](SC[C@@H]2CO2)C1 54691544 572717077 /nfs/dbraw/zinc/71/70/77/572717077.db2.gz UMUDDFZLYAANPQ-LPEHRKFASA-N 0 0 186.320 2.697 10 30 AFEERN C=CC1=C([C@H](O)[C@H](C)C=C)CCC1 238435467 572717089 /nfs/dbraw/zinc/71/70/89/572717089.db2.gz AQMGOHIINBOYRQ-BXKDBHETSA-N 0 0 178.275 2.836 10 30 AFEERN C[C@@H]1CC[C@](C#N)(NC2CCCC2)C1 70644712 572717370 /nfs/dbraw/zinc/71/73/70/572717370.db2.gz DYWWTDOVCOJOIZ-PWSUYJOCSA-N 0 0 192.306 2.601 10 30 AFEERN C=CCCOc1cccc(F)c1C=O 236173656 572717483 /nfs/dbraw/zinc/71/74/83/572717483.db2.gz RXYNCOADJRVWAR-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=CCC[C@@H]1CC(=O)CC1(C)C 221875495 572717562 /nfs/dbraw/zinc/71/75/62/572717562.db2.gz DLHDEYBPSJLIMP-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@](F)(CC=C(C)C)[C@@H](C)O 238441074 572717591 /nfs/dbraw/zinc/71/75/91/572717591.db2.gz OUMPTNQQHGSBIS-ZJUUUORDSA-N 0 0 172.243 2.618 10 30 AFEERN C[C@@H](CCNCC#N)CC(C)(C)C 238439288 572717599 /nfs/dbraw/zinc/71/75/99/572717599.db2.gz BIYLAVUUIGSCOW-JTQLQIEISA-N 0 0 182.311 2.562 10 30 AFEERN C[C@@H]1C[C@@H]1c1ccc(CCC=O)o1 238437398 572717636 /nfs/dbraw/zinc/71/76/36/572717636.db2.gz IVDMPQGIAORVHR-SCZZXKLOSA-N 0 0 178.231 2.535 10 30 AFEERN C=C[C@H](C)COc1ccccc1O 238441893 572717769 /nfs/dbraw/zinc/71/77/69/572717769.db2.gz PPPHUWZVGXSIFE-VIFPVBQESA-N 0 0 178.231 2.593 10 30 AFEERN C=C[C@@H](CCC)[C@@H](O)C(C)C 307882016 572717848 /nfs/dbraw/zinc/71/78/48/572717848.db2.gz SRFYBCWCFIEJDZ-UWVGGRQHSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@H](C)CC[C@H](C)C(C)=O 238437787 572717852 /nfs/dbraw/zinc/71/78/52/572717852.db2.gz GSTDIKFVFUDOPA-IUCAKERBSA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@@H](CCC)[C@H](O)C(C)C 307882020 572718017 /nfs/dbraw/zinc/71/80/17/572718017.db2.gz SRFYBCWCFIEJDZ-VHSXEESVSA-N 0 0 156.269 2.606 10 30 AFEERN C[C@H](O)c1cccc2c(C#N)cccc12 238441586 572718131 /nfs/dbraw/zinc/71/81/31/572718131.db2.gz OOBWXGDUYMWXEU-VIFPVBQESA-N 0 0 197.237 2.765 10 30 AFEERN CC#CCNc1ccc2ccoc2c1 306645485 572718147 /nfs/dbraw/zinc/71/81/47/572718147.db2.gz ARGWJOBFKMSPKF-UHFFFAOYSA-N 0 0 185.226 2.868 10 30 AFEERN C[C@H]1CC[C@](C#N)(NC2CCCC2)C1 70644713 572718205 /nfs/dbraw/zinc/71/82/05/572718205.db2.gz DYWWTDOVCOJOIZ-JQWIXIFHSA-N 0 0 192.306 2.601 10 30 AFEERN C=CCCc1ccc([C@H](C)O)cc1 238439229 572718206 /nfs/dbraw/zinc/71/82/06/572718206.db2.gz HVLUHEAPLDOBTM-JTQLQIEISA-N 0 0 176.259 2.859 10 30 AFEERN CSc1ccc(CC(C)=NO)cc1 308098831 572718278 /nfs/dbraw/zinc/71/82/78/572718278.db2.gz CGGJUVDVYNFDKQ-UHFFFAOYSA-N 0 0 195.287 2.801 10 30 AFEERN C[C@H]1CC[C@@](C#N)(NC2CCCC2)C1 70644711 572718310 /nfs/dbraw/zinc/71/83/10/572718310.db2.gz DYWWTDOVCOJOIZ-CMPLNLGQSA-N 0 0 192.306 2.601 10 30 AFEERN C=C[C@H](C)CC[C@H](O)c1ccco1 238438321 572718538 /nfs/dbraw/zinc/71/85/38/572718538.db2.gz QGEPFPNUSSDDOY-UWVGGRQHSA-N 0 0 180.247 2.915 10 30 AFEERN C=C[C@@H](C)[C@H](O)CCC(F)(F)F 238437407 572718567 /nfs/dbraw/zinc/71/85/67/572718567.db2.gz DQCWSGOPZOZLNR-RNFRBKRXSA-N 0 0 182.185 2.512 10 30 AFEERN C=C(C)CCC1([C@@H](C)O)CC1 235230153 572718575 /nfs/dbraw/zinc/71/85/75/572718575.db2.gz JZGRGTFZJMGXQO-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN CC1(C)CCC2(CC1)CC(=O)C=CO2 70654991 572720090 /nfs/dbraw/zinc/72/00/90/572720090.db2.gz DZNUJKKBTRFIHX-UHFFFAOYSA-N 0 0 194.274 2.829 10 30 AFEERN C=CCC/C(C)=C\[C@H](C)CO 238438256 572718735 /nfs/dbraw/zinc/71/87/35/572718735.db2.gz URGVTMFALBAFET-RNKPRXRFSA-N 0 0 154.253 2.527 10 30 AFEERN C=CCSCc1ccc([C@H](C)O)o1 238439403 572718806 /nfs/dbraw/zinc/71/88/06/572718806.db2.gz QOAAZEMZJKSSIN-QMMMGPOBSA-N 0 0 198.287 2.752 10 30 AFEERN C=C[C@H](CCC)[C@@H](O)C(C)C 307882023 572718866 /nfs/dbraw/zinc/71/88/66/572718866.db2.gz SRFYBCWCFIEJDZ-ZJUUUORDSA-N 0 0 156.269 2.606 10 30 AFEERN C[C@@H](CC#N)CCc1cccc(O)c1 238439657 572719083 /nfs/dbraw/zinc/71/90/83/572719083.db2.gz GQWHEGQRLRYHIM-SNVBAGLBSA-N 0 0 189.258 2.875 10 30 AFEERN Cc1cocc1CC[C@@H](C)CC=O 238442143 572719240 /nfs/dbraw/zinc/71/92/40/572719240.db2.gz CGVSFAUSZSAHLA-SECBINFHSA-N 0 0 180.247 2.746 10 30 AFEERN C=CCCc1ccccc1[C@H](C)O 238441862 572719245 /nfs/dbraw/zinc/71/92/45/572719245.db2.gz LFGJYZMZVFRFFL-JTQLQIEISA-N 0 0 176.259 2.859 10 30 AFEERN C[C@H](O)c1cccc2ccc(C#N)cc12 238441630 572720057 /nfs/dbraw/zinc/72/00/57/572720057.db2.gz LWRJUEQEASZHLL-VIFPVBQESA-N 0 0 197.237 2.765 10 30 AFEERN CC#C[C@]1(O)CCC[C@@H](CC(C)C)C1 306657415 572719528 /nfs/dbraw/zinc/71/95/28/572719528.db2.gz HYURDQZAXKNUJN-STQMWFEESA-N 0 0 194.318 2.977 10 30 AFEERN C[C@@H]1CC[C@@](C#N)(NC2CCCC2)C1 70644710 572719586 /nfs/dbraw/zinc/71/95/86/572719586.db2.gz DYWWTDOVCOJOIZ-ZYHUDNBSSA-N 0 0 192.306 2.601 10 30 AFEERN C#CC[C@H](O)c1cc(F)ccc1Cl 306677525 572719623 /nfs/dbraw/zinc/71/96/23/572719623.db2.gz ZANLGOYKPCBOBH-JTQLQIEISA-N 0 0 198.624 2.536 10 30 AFEERN C=C[C@H](CCC)[C@H](O)C(C)C 307882013 572719798 /nfs/dbraw/zinc/71/97/98/572719798.db2.gz SRFYBCWCFIEJDZ-NXEZZACHSA-N 0 0 156.269 2.606 10 30 AFEERN C=C(C)c1ccc2ccc(=O)oc2c1 306643827 572719820 /nfs/dbraw/zinc/71/98/20/572719820.db2.gz XVFWIQSXHWQIHN-UHFFFAOYSA-N 0 0 186.210 2.826 10 30 AFEERN C[C@H](C=O)[C@@H](C)/C=C/c1ccco1 308099352 572720117 /nfs/dbraw/zinc/72/01/17/572720117.db2.gz ZXLVTPNVCGMODK-FQNVXPIYSA-N 0 0 178.231 2.764 10 30 AFEERN C[C@@H](CC#N)CCc1ccc(O)cc1 238439000 572720379 /nfs/dbraw/zinc/72/03/79/572720379.db2.gz ZULKBTIIMZZUMR-SNVBAGLBSA-N 0 0 189.258 2.875 10 30 AFEERN C=C1CC[C@]2(C)[C@H](C)CC[C@H](O)[C@H]12 306688518 572720356 /nfs/dbraw/zinc/72/03/56/572720356.db2.gz JKAVRUYSDZMLPJ-NOOOWODRSA-N 0 0 180.291 2.750 10 30 AFEERN C=C[C@@H](C)[C@H](CO)c1cccs1 238436940 572721161 /nfs/dbraw/zinc/72/11/61/572721161.db2.gz DBSJLVZHLSKCKG-BDAKNGLRSA-N 0 0 182.288 2.646 10 30 AFEERN CC(C)SCCC[C@@H](C)C=O 307884833 572721571 /nfs/dbraw/zinc/72/15/71/572721571.db2.gz WJEOMPSSANTXEW-SECBINFHSA-N 0 0 174.309 2.743 10 30 AFEERN C=C1[C@H]([C@@H](O)CC)[C@@H]1C(C)(C)C 306644956 572721591 /nfs/dbraw/zinc/72/15/91/572721591.db2.gz NUDPGDIIGNOYMH-IVZWLZJFSA-N 0 0 168.280 2.606 10 30 AFEERN CC(C)SCCC[C@H](C)C=O 307884834 572721594 /nfs/dbraw/zinc/72/15/94/572721594.db2.gz WJEOMPSSANTXEW-VIFPVBQESA-N 0 0 174.309 2.743 10 30 AFEERN C[C@H](C=O)[C@H](C)/C=C/c1ccco1 308099358 572721909 /nfs/dbraw/zinc/72/19/09/572721909.db2.gz ZXLVTPNVCGMODK-GMCFVEKCSA-N 0 0 178.231 2.764 10 30 AFEERN CCCCC#C/C=C\[C@@H](O)CCC 207603260 572722064 /nfs/dbraw/zinc/72/20/64/572722064.db2.gz LYBNLRLIWGUZBX-MMRAYRKESA-N 0 0 180.291 2.897 10 30 AFEERN C=C(C)[C@H]1[C@@H](O)CC[C@H]2[C@@H]1C2(C)C 306681350 572722185 /nfs/dbraw/zinc/72/21/85/572722185.db2.gz NVRZIBZTNDCJJC-NAKRPEOUSA-N 0 0 180.291 2.606 10 30 AFEERN C=C[C@H](C)CC[C@@H](C)C(C)=O 238436865 572722215 /nfs/dbraw/zinc/72/22/15/572722215.db2.gz GSTDIKFVFUDOPA-DTWKUNHWSA-N 0 0 154.253 2.814 10 30 AFEERN CCCCC#C/C=C/[C@@H](O)CCC 207603300 572722863 /nfs/dbraw/zinc/72/28/63/572722863.db2.gz LYBNLRLIWGUZBX-ZKQHCESOSA-N 0 0 180.291 2.897 10 30 AFEERN C[C@@H]1CCC[C@@H](N2CCC[C@@H]2C#N)C1 70662499 572724155 /nfs/dbraw/zinc/72/41/55/572724155.db2.gz QUYKJXRQOGRRBB-IJLUTSLNSA-N 0 0 192.306 2.553 10 30 AFEERN C[C@H](O)c1ccc2cc(C#N)ccc2c1 238451055 572722806 /nfs/dbraw/zinc/72/28/06/572722806.db2.gz ABBXFQNKSLVYQT-VIFPVBQESA-N 0 0 197.237 2.765 10 30 AFEERN C=C[C@](C)(O)[C@H]1CC2CCC1CC2 306664047 572722965 /nfs/dbraw/zinc/72/29/65/572722965.db2.gz RLXZGZKVCKZKBP-QQFIATSDSA-N 0 0 180.291 2.750 10 30 AFEERN C=CCCC/C=C/CO[C@H](C)[C@H](C)O 238456387 572723073 /nfs/dbraw/zinc/72/30/73/572723073.db2.gz CBNACVVRYSXDQX-VDTGWRSZSA-N 0 0 198.306 2.685 10 30 AFEERN C[C@H](O)C/C=C/CCCCCCC=O 238451542 572723268 /nfs/dbraw/zinc/72/32/68/572723268.db2.gz GPRZCHVPCYRZJP-WMADIVHISA-N 0 0 198.306 2.853 10 30 AFEERN C(=Nc1ccccc1)c1ccc[nH]1 254048174 572723280 /nfs/dbraw/zinc/72/32/80/572723280.db2.gz XDLMLLMWCIBZIU-UHFFFAOYSA-N 0 0 170.215 2.765 10 30 AFEERN C=CCCCC[C@H](C)[C@H](C)O 238455622 572723338 /nfs/dbraw/zinc/72/33/38/572723338.db2.gz FCBQWRPNYZBMCC-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN C=CC[C@@H](Cc1ccccc1)[C@H](C)O 238457681 572723413 /nfs/dbraw/zinc/72/34/13/572723413.db2.gz ONZMMMFPFKFXJS-AAEUAGOBSA-N 0 0 190.286 2.802 10 30 AFEERN C=C[C@H](C)N[C@@H]1CCCCC1(F)F 306604926 572723505 /nfs/dbraw/zinc/72/35/05/572723505.db2.gz FNANRMZZVMAQMM-DTWKUNHWSA-N 0 0 189.249 2.728 10 30 AFEERN C=C[C@H](C)CC(=S)NC(C)(C)C 238452761 572723533 /nfs/dbraw/zinc/72/35/33/572723533.db2.gz CPXAJHHJFMURQV-QMMMGPOBSA-N 0 0 185.336 2.914 10 30 AFEERN C=C[C@H](C)[C@H]1CCC[C@H](C)C1=O 306644004 572723537 /nfs/dbraw/zinc/72/35/37/572723537.db2.gz YKLIIXCBBHCYQR-LPEHRKFASA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H](C)CC(=O)C[C@@H](C)C=C 238450547 572723556 /nfs/dbraw/zinc/72/35/56/572723556.db2.gz CKLGEUHDKSUVHS-UWVGGRQHSA-N 0 0 166.264 2.980 10 30 AFEERN C[C@@H]1CCC[C@H](N2CCC[C@@H]2C#N)C1 70662497 572723594 /nfs/dbraw/zinc/72/35/94/572723594.db2.gz QUYKJXRQOGRRBB-GRYCIOLGSA-N 0 0 192.306 2.553 10 30 AFEERN C=C[C@H](C)[C@H](O)C#CC1CCCCC1 306636040 572723710 /nfs/dbraw/zinc/72/37/10/572723710.db2.gz APMPOHFIEKJRNH-WCQYABFASA-N 0 0 192.302 2.753 10 30 AFEERN CC(C)(C)CCN1CCCC[C@@H]1C#N 70662693 572723744 /nfs/dbraw/zinc/72/37/44/572723744.db2.gz IJDXNJGPVFBIBQ-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN CC(C)(C)CCOCCCC#N 85319420 572723905 /nfs/dbraw/zinc/72/39/05/572723905.db2.gz HPZSMXXUOQEHQK-UHFFFAOYSA-N 0 0 169.268 2.743 10 30 AFEERN CC(C)(C)CCN1CCCC[C@H]1C#N 70662694 572724064 /nfs/dbraw/zinc/72/40/64/572724064.db2.gz IJDXNJGPVFBIBQ-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN N#Cc1c(C2CC2)oc2c1CCC2 77089887 572727034 /nfs/dbraw/zinc/72/70/34/572727034.db2.gz DLJHMFZQLHAFAN-UHFFFAOYSA-N 0 0 173.215 2.517 10 30 AFEERN C#CC[C@@H](O)c1cc(F)ccc1Cl 306677526 572724336 /nfs/dbraw/zinc/72/43/36/572724336.db2.gz ZANLGOYKPCBOBH-SNVBAGLBSA-N 0 0 198.624 2.536 10 30 AFEERN C=C1[C@H](CC)[C@]12CCCCC[C@H]2O 306694845 572724371 /nfs/dbraw/zinc/72/43/71/572724371.db2.gz UDJOMZGNECOXBO-TUAOUCFPSA-N 0 0 180.291 2.894 10 30 AFEERN C#CCCCC(=O)C1(CC)CC1 308105642 572724500 /nfs/dbraw/zinc/72/45/00/572724500.db2.gz HSYONYLTUZVPAZ-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN CC(=NN)c1ccc2ccccc2c1 254394947 572724693 /nfs/dbraw/zinc/72/46/93/572724693.db2.gz ZWEVPZOYKOGJPF-UHFFFAOYSA-N 0 0 184.242 2.523 10 30 AFEERN C#CCSCCc1cccs1 307627443 572724724 /nfs/dbraw/zinc/72/47/24/572724724.db2.gz JAULZUMCXYUGGX-UHFFFAOYSA-N 0 0 182.313 2.657 10 30 AFEERN C=C([C@H](O)[C@@H]1CC1(C)C)C(F)(F)F 306689220 572724739 /nfs/dbraw/zinc/72/47/39/572724739.db2.gz NUMVOXHUTKCTHV-BQBZGAKWSA-N 0 0 194.196 2.512 10 30 AFEERN C=C[C@H]1C=Cc2ccccc2[C@@]1(C)C=O 238450761 572724906 /nfs/dbraw/zinc/72/49/06/572724906.db2.gz BBXAUWBPDTYYSY-JSGCOSHPSA-N 0 0 198.265 2.972 10 30 AFEERN C[C@H]1C[C@H]1c1ccc(CCC=O)o1 238451434 572724953 /nfs/dbraw/zinc/72/49/53/572724953.db2.gz IVDMPQGIAORVHR-WCBMZHEXSA-N 0 0 178.231 2.535 10 30 AFEERN C#CC(=O)[C@H](CCC)CC(C)C 308105318 572725174 /nfs/dbraw/zinc/72/51/74/572725174.db2.gz JGPQVINKXGGHRN-SNVBAGLBSA-N 0 0 166.264 2.651 10 30 AFEERN C/C=C/C=C\C(=O)[C@H](C)CC 209630303 572725193 /nfs/dbraw/zinc/72/51/93/572725193.db2.gz OOCVRHWQHRLEBK-KNLJLUSBSA-N 0 0 152.237 2.734 10 30 AFEERN CC[C@@H](C#N)OCCC(C)(C)C 85319413 572725228 /nfs/dbraw/zinc/72/52/28/572725228.db2.gz IDJICGXWAHPIFE-VIFPVBQESA-N 0 0 169.268 2.741 10 30 AFEERN C=CCSc1cc(C)c(N)cc1F 306687861 572725230 /nfs/dbraw/zinc/72/52/30/572725230.db2.gz IJWYIOBONZJIBF-UHFFFAOYSA-N 0 0 197.278 2.994 10 30 AFEERN CC(CC1CC1)=NOCC(C)C 308104533 572725347 /nfs/dbraw/zinc/72/53/47/572725347.db2.gz HJQQZALDUNYLQE-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN C=C[C@@H](O)C[C@@H](C)Cc1ccc(C)o1 238451219 572725361 /nfs/dbraw/zinc/72/53/61/572725361.db2.gz KXMOAJSWRDJHRX-MWLCHTKSSA-N 0 0 194.274 2.704 10 30 AFEERN C=C[C@@H]1C=Cc2ccccc2[C@@]1(C)C=O 238450835 572725443 /nfs/dbraw/zinc/72/54/43/572725443.db2.gz BBXAUWBPDTYYSY-OCCSQVGLSA-N 0 0 198.265 2.972 10 30 AFEERN C=CCCC[C@@H](C=C)[C@H](C)O 238457837 572725454 /nfs/dbraw/zinc/72/54/54/572725454.db2.gz IUSIORNKORHIJS-VHSXEESVSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@H](C)C[C@H](O)c1ccc(O)cc1 238451453 572725474 /nfs/dbraw/zinc/72/54/74/572725474.db2.gz MATCQMJMTVTYDA-CABZTGNLSA-N 0 0 192.258 2.638 10 30 AFEERN CC[C@H](C#N)OCCC(C)(C)C 85319414 572725475 /nfs/dbraw/zinc/72/54/75/572725475.db2.gz IDJICGXWAHPIFE-SECBINFHSA-N 0 0 169.268 2.741 10 30 AFEERN C=C1[C@H](CC)[C@@]12CCCCC[C@@H]2O 306694840 572725503 /nfs/dbraw/zinc/72/55/03/572725503.db2.gz UDJOMZGNECOXBO-SDDRHHMPSA-N 0 0 180.291 2.894 10 30 AFEERN C[C@]1(CCCc2ccccc2O)CO1 238452306 572725505 /nfs/dbraw/zinc/72/55/05/572725505.db2.gz XPZNKVBIGNQXIR-LBPRGKRZSA-N 0 0 192.258 2.504 10 30 AFEERN CC[C@H](CC#N)n1cc(Cl)c(C)n1 70689304 572725611 /nfs/dbraw/zinc/72/56/11/572725611.db2.gz RWNHIABRPCNYBR-MRVPVSSYSA-N 0 0 197.669 2.710 10 30 AFEERN CC[C@@H](CC#N)n1cc(Cl)c(C)n1 70689302 572726020 /nfs/dbraw/zinc/72/60/20/572726020.db2.gz RWNHIABRPCNYBR-QMMMGPOBSA-N 0 0 197.669 2.710 10 30 AFEERN C#CC(=O)[C@@H](CCC)CC(C)C 308105317 572726064 /nfs/dbraw/zinc/72/60/64/572726064.db2.gz JGPQVINKXGGHRN-JTQLQIEISA-N 0 0 166.264 2.651 10 30 AFEERN C=C[C@](C)(C/C=C\C)C(=O)OCC 308104915 572726088 /nfs/dbraw/zinc/72/60/88/572726088.db2.gz NQLKSHYIUOEQRJ-UIJKISKDSA-N 0 0 182.263 2.708 10 30 AFEERN CCCO/N=C/c1cccs1 307627124 572726571 /nfs/dbraw/zinc/72/65/71/572726571.db2.gz IJJUDDXBPADJPV-VQHVLOKHSA-N 0 0 169.249 2.509 10 30 AFEERN C=C[C@@](C)(C/C=C\C)C(=O)OCC 308104914 572726698 /nfs/dbraw/zinc/72/66/98/572726698.db2.gz NQLKSHYIUOEQRJ-OFSNVTPPSA-N 0 0 182.263 2.708 10 30 AFEERN CCc1oc2c(c1CC#N)CCCC2 77090284 572726880 /nfs/dbraw/zinc/72/68/80/572726880.db2.gz IAZJANNTWCRHOZ-UHFFFAOYSA-N 0 0 189.258 2.787 10 30 AFEERN Cc1oc2c(c1CC#N)C[C@H](C)CC2 77090763 572727231 /nfs/dbraw/zinc/72/72/31/572727231.db2.gz FQHFTXRVDMETNS-MRVPVSSYSA-N 0 0 189.258 2.779 10 30 AFEERN Cc1oc2c(c1C#N)C[C@@H](C)CC2 77090728 572727253 /nfs/dbraw/zinc/72/72/53/572727253.db2.gz BRNVAKFXIIZYLH-ZETCQYMHSA-N 0 0 175.231 2.585 10 30 AFEERN CCCc1oc2c(c1CC#N)CCC2 77089812 572727276 /nfs/dbraw/zinc/72/72/76/572727276.db2.gz PJKZHIJJEXDAIW-UHFFFAOYSA-N 0 0 189.258 2.787 10 30 AFEERN N#Cc1c(C2CC2)oc2c1CCCC2 77090492 572727282 /nfs/dbraw/zinc/72/72/82/572727282.db2.gz INXLQYDYBXTNHH-UHFFFAOYSA-N 0 0 187.242 2.907 10 30 AFEERN C=C(CC)CNc1cnc(Cl)cn1 306602707 572727441 /nfs/dbraw/zinc/72/74/41/572727441.db2.gz CZFVZKVXRGMFAJ-UHFFFAOYSA-N 0 0 197.669 2.508 10 30 AFEERN Cc1oc(C2CC2)c(CC#N)c1C 77089213 572727483 /nfs/dbraw/zinc/72/74/83/572727483.db2.gz NSWGKAMAZOSBKE-UHFFFAOYSA-N 0 0 175.231 2.840 10 30 AFEERN C#CCC[C@H](O)c1cccc(F)c1C 306689392 572727632 /nfs/dbraw/zinc/72/76/32/572727632.db2.gz OCGHTZMIBDTDEC-LBPRGKRZSA-N 0 0 192.233 2.581 10 30 AFEERN Cc1oc2c(c1CC#N)C[C@@H](C)CC2 77090762 572727674 /nfs/dbraw/zinc/72/76/74/572727674.db2.gz FQHFTXRVDMETNS-QMMMGPOBSA-N 0 0 189.258 2.779 10 30 AFEERN C[C@H]1CC=C(C#CCO)c2ccccc21 238467921 572727680 /nfs/dbraw/zinc/72/76/80/572727680.db2.gz CLMBHFHMOLLSSA-NSHDSACASA-N 0 0 198.265 2.573 10 30 AFEERN Cc1oc2c(c1CC#N)CCCC2 77090183 572727764 /nfs/dbraw/zinc/72/77/64/572727764.db2.gz OBXSATWXCTVIRT-UHFFFAOYSA-N 0 0 175.231 2.533 10 30 AFEERN C=C[C@@H](C)[C@@H](O)/C=C\CCC 307886260 572727767 /nfs/dbraw/zinc/72/77/67/572727767.db2.gz XRKYXUAJVIKWKG-LKMPMBSTSA-N 0 0 154.253 2.526 10 30 AFEERN C=C/C=C\C[C@@H]1C[C@@H](C=O)C1(C)C 308100692 572728063 /nfs/dbraw/zinc/72/80/63/572728063.db2.gz DOKKKXHPHQFEGR-MXFLAHGMSA-N 0 0 178.275 2.980 10 30 AFEERN CC1=C[C@H](C)[C@H](C=NO)[C@@H](C)C1 254375723 572728172 /nfs/dbraw/zinc/72/81/72/572728172.db2.gz FWRLPSXGBMUNQR-GUBZILKMSA-N 0 0 167.252 2.685 10 30 AFEERN CCc1oc2c(c1C#N)CCCC2 77090267 572728346 /nfs/dbraw/zinc/72/83/46/572728346.db2.gz SHKCKPALVBUQAL-UHFFFAOYSA-N 0 0 175.231 2.592 10 30 AFEERN CC(C)c1oc2c(c1CC#N)CCC2 77089720 572728597 /nfs/dbraw/zinc/72/85/97/572728597.db2.gz UORKHFZWUGNQHB-UHFFFAOYSA-N 0 0 189.258 2.958 10 30 AFEERN CC1=C[C@H](C)[C@H](C=NO)[C@H](C)C1 254375721 572728605 /nfs/dbraw/zinc/72/86/05/572728605.db2.gz FWRLPSXGBMUNQR-AEJSXWLSSA-N 0 0 167.252 2.685 10 30 AFEERN CCCc1oc2c(c1C#N)CCC2 77089795 572728671 /nfs/dbraw/zinc/72/86/71/572728671.db2.gz REWUVRBONFUHDY-UHFFFAOYSA-N 0 0 175.231 2.592 10 30 AFEERN C=CC[C@@H](C)[C@H](O)Cc1ccccc1 238468253 572728688 /nfs/dbraw/zinc/72/86/88/572728688.db2.gz UVCXTQMWTMIJNU-DGCLKSJQSA-N 0 0 190.286 2.802 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)Cc1ccccc1 238468089 572728714 /nfs/dbraw/zinc/72/87/14/572728714.db2.gz UVCXTQMWTMIJNU-YPMHNXCESA-N 0 0 190.286 2.802 10 30 AFEERN N#CCc1c(C2CC2)oc2c1CCC2 77089904 572728742 /nfs/dbraw/zinc/72/87/42/572728742.db2.gz RAVPSZLIWLDIFR-UHFFFAOYSA-N 0 0 187.242 2.712 10 30 AFEERN CC(C)c1oc2c(c1C#N)CCC2 77089703 572728938 /nfs/dbraw/zinc/72/89/38/572728938.db2.gz DZJSRPMQMZLUAO-UHFFFAOYSA-N 0 0 175.231 2.763 10 30 AFEERN C=C(C#CC=C(C)C)[C@H](O)C(C)C 196660908 572729997 /nfs/dbraw/zinc/72/99/97/572729997.db2.gz GEABOXLVOBRTRA-GFCCVEGCSA-N 0 0 178.275 2.529 10 30 AFEERN C=CCNc1ncc(C(C)C)s1 306626636 572729046 /nfs/dbraw/zinc/72/90/46/572729046.db2.gz IIEHVJISIAATAA-UHFFFAOYSA-N 0 0 182.292 2.864 10 30 AFEERN Cc1oc2c(c1C#N)C[C@H](C)CC2 77090729 572729118 /nfs/dbraw/zinc/72/91/18/572729118.db2.gz BRNVAKFXIIZYLH-SSDOTTSWSA-N 0 0 175.231 2.585 10 30 AFEERN CC(C)(C)c1oc2c(c1C#N)CCC2 77089978 572729133 /nfs/dbraw/zinc/72/91/33/572729133.db2.gz OKVRPBDWWUIWMN-UHFFFAOYSA-N 0 0 189.258 2.937 10 30 AFEERN Cc1oc(C2CC2)c(C#N)c1C 77089196 572729315 /nfs/dbraw/zinc/72/93/15/572729315.db2.gz WWDIWOLVLUMJOZ-UHFFFAOYSA-N 0 0 161.204 2.646 10 30 AFEERN C[C@H]1CC=C(C#CC=O)c2ccccc21 238467906 572729446 /nfs/dbraw/zinc/72/94/46/572729446.db2.gz JEPKDTKQLUEQEB-NSHDSACASA-N 0 0 196.249 2.780 10 30 AFEERN CCCc1oc2c(c1C#N)CCCC2 77090426 572729562 /nfs/dbraw/zinc/72/95/62/572729562.db2.gz UHJMZKVLHWZUNK-UHFFFAOYSA-N 0 0 189.258 2.983 10 30 AFEERN C=C/C=C\C[C@@H]1C[C@H](C=O)C1(C)C 308100688 572729920 /nfs/dbraw/zinc/72/99/20/572729920.db2.gz DOKKKXHPHQFEGR-ADRPCIBZSA-N 0 0 178.275 2.980 10 30 AFEERN C=CCCCC1=CC(=O)[C@@H](C)C1 238464937 572730147 /nfs/dbraw/zinc/73/01/47/572730147.db2.gz WDVZVLXNYKYVQP-VIFPVBQESA-N 0 0 164.248 2.878 10 30 AFEERN C=CCC(C)(C)C/C=C\CO 307887621 572730235 /nfs/dbraw/zinc/73/02/35/572730235.db2.gz YNLLCFAIHACORX-WAYWQWQTSA-N 0 0 154.253 2.527 10 30 AFEERN CC1=C[C@H](C)[C@@H](C=NO)[C@@H](C)C1 254375812 572730503 /nfs/dbraw/zinc/73/05/03/572730503.db2.gz FWRLPSXGBMUNQR-LPEHRKFASA-N 0 0 167.252 2.685 10 30 AFEERN CCc1oc2c(c1C#N)C[C@H](C)CC2 77090913 572730611 /nfs/dbraw/zinc/73/06/11/572730611.db2.gz BZJNTFMBVSBKKL-MRVPVSSYSA-N 0 0 189.258 2.838 10 30 AFEERN CC1=C[C@H](C)[C@@H](C=NO)[C@H](C)C1 254375725 572730717 /nfs/dbraw/zinc/73/07/17/572730717.db2.gz FWRLPSXGBMUNQR-IVZWLZJFSA-N 0 0 167.252 2.685 10 30 AFEERN C=C[C@@]1(C)C[C@H](O)c2ccccc21 306639811 572730732 /nfs/dbraw/zinc/73/07/32/572730732.db2.gz IKFDQRMPOLSKGF-RYUDHWBXSA-N 0 0 174.243 2.567 10 30 AFEERN C=CC[C@H](O[C@@H](C)C=O)c1ccco1 238463953 572730778 /nfs/dbraw/zinc/73/07/78/572730778.db2.gz LBKBMWPLLUTXOY-ONGXEEELSA-N 0 0 194.230 2.501 10 30 AFEERN C/C=C\C(=O)CC(CC)CC 307893673 572733149 /nfs/dbraw/zinc/73/31/49/572733149.db2.gz HYSPZCGXAAROJW-DAXSKMNVSA-N 0 0 154.253 2.958 10 30 AFEERN C=CCC[C@H](O)C1(CCC)CC1 308102291 572733153 /nfs/dbraw/zinc/73/31/53/572733153.db2.gz GMQBUOZLMOPUJZ-JTQLQIEISA-N 0 0 168.280 2.894 10 30 AFEERN CC(=O)/C(C)=C/C(C)(C)CCC#N 308100849 572730946 /nfs/dbraw/zinc/73/09/46/572730946.db2.gz DYKKSUDLEQJRDT-CMDGGOBGSA-N 0 0 179.263 2.852 10 30 AFEERN C=C[C@@]1(C(C)C)CCC[C@H](O)C1 306694911 572731108 /nfs/dbraw/zinc/73/11/08/572731108.db2.gz VGTJXTSJQBUZNG-WDEREUQCSA-N 0 0 168.280 2.750 10 30 AFEERN CCc1ccc2c(c1)C(=NO)C[C@H]2C 714540646 572733155 /nfs/dbraw/zinc/73/31/55/572733155.db2.gz VJCSRTRBXFISRO-MRVPVSSYSA-N 0 0 189.258 2.935 10 30 AFEERN C=C(C#CC=C(C)C)[C@@H](O)C(C)C 196660904 572731220 /nfs/dbraw/zinc/73/12/20/572731220.db2.gz GEABOXLVOBRTRA-LBPRGKRZSA-N 0 0 178.275 2.529 10 30 AFEERN C=C[C@]1(C)C[C@@H](O)c2ccccc21 306639812 572731597 /nfs/dbraw/zinc/73/15/97/572731597.db2.gz IKFDQRMPOLSKGF-VXGBXAGGSA-N 0 0 174.243 2.567 10 30 AFEERN CC[C@@H](C)c1ccc(O)c(C=NO)c1 254407731 572731668 /nfs/dbraw/zinc/73/16/68/572731668.db2.gz QQJYDMQRLRLPKP-MRVPVSSYSA-N 0 0 193.246 2.714 10 30 AFEERN C=CC[C@@H](O[C@@H](C)C=O)c1ccco1 238464456 572731681 /nfs/dbraw/zinc/73/16/81/572731681.db2.gz LBKBMWPLLUTXOY-GXSJLCMTSA-N 0 0 194.230 2.501 10 30 AFEERN CC1=C(Cl)C(=O)CC(C)(C)C1 22003348 572733016 /nfs/dbraw/zinc/73/30/16/572733016.db2.gz IZTFFVNWFPDQFN-UHFFFAOYSA-N 0 0 172.655 2.888 10 30 AFEERN CCCC/C=C\[C@@H]1[C@H](C=O)C1(F)F 308110370 572731893 /nfs/dbraw/zinc/73/18/93/572731893.db2.gz NGQMOGYTMDIODP-CDLGPUQVSA-N 0 0 188.217 2.813 10 30 AFEERN C=CCCCCC[C@H](CC=C)NN 236190701 572733079 /nfs/dbraw/zinc/73/30/79/572733079.db2.gz HMZXUAULACSOSA-NSHDSACASA-N 0 0 182.311 2.531 10 30 AFEERN CC(C)CC=NOCC(C)C 307893641 572733081 /nfs/dbraw/zinc/73/30/81/572733081.db2.gz GWFGVOWSTFKTCN-UHFFFAOYSA-N 0 0 157.257 2.691 10 30 AFEERN C=C(C)CCC(=O)[C@@H]1[C@H]2C=CC[C@@H]12 308109942 572732198 /nfs/dbraw/zinc/73/21/98/572732198.db2.gz MMYCBSFQVSPLKO-HOSYDEDBSA-N 0 0 176.259 2.734 10 30 AFEERN CC#CC[C@H](O)c1cccc(F)c1C 306696113 572732287 /nfs/dbraw/zinc/73/22/87/572732287.db2.gz WWGDTBSTZGSVBL-LBPRGKRZSA-N 0 0 192.233 2.581 10 30 AFEERN C=C1C[C@]23CCCC[C@@H]2CC[C@H](O)[C@@H]13 306638406 572732294 /nfs/dbraw/zinc/73/22/94/572732294.db2.gz BWDYWVANNJIOAE-YVECIDJPSA-N 0 0 192.302 2.894 10 30 AFEERN CC#CC[C@H](C=O)C/C=C\C(C)C 308110341 572732229 /nfs/dbraw/zinc/73/22/29/572732229.db2.gz NDOUJUBKXHUEAC-DGMVEKRQSA-N 0 0 178.275 2.817 10 30 AFEERN CC(=O)C[C@H](C)/C=C/CCCC#N 308109945 572732349 /nfs/dbraw/zinc/73/23/49/572732349.db2.gz MNOVZKPDTXUDMG-BREXMAIKSA-N 0 0 179.263 2.852 10 30 AFEERN C=CCCCCC[C@H](CC1CC1)NN 236189856 572732541 /nfs/dbraw/zinc/73/25/41/572732541.db2.gz WHIIVCNENXLWDR-GFCCVEGCSA-N 0 0 196.338 2.755 10 30 AFEERN CC#CC[C@@H](C=O)C/C=C\C(C)C 308110342 572732891 /nfs/dbraw/zinc/73/28/91/572732891.db2.gz NDOUJUBKXHUEAC-ZHRWSRJISA-N 0 0 178.275 2.817 10 30 AFEERN C=C(C)C1=C(C)CC(C)(C)C1=O 196669370 572732750 /nfs/dbraw/zinc/73/27/50/572732750.db2.gz AFVWIPKJDFIPBH-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN C=C([C@@H](O)[C@H](C)CC)C(F)(F)F 308109617 572732844 /nfs/dbraw/zinc/73/28/44/572732844.db2.gz JJRDUZHHCKICOJ-VDTYLAMSSA-N 0 0 182.185 2.512 10 30 AFEERN C=CC[C@H](C)C[C@H](O)CCC 307888296 572732966 /nfs/dbraw/zinc/73/29/66/572732966.db2.gz ZJXXOTKCINLAFH-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN C=C[C@@H]1C[C@@H]1[C@@H](O)CCCCC 308102142 572733332 /nfs/dbraw/zinc/73/33/32/572733332.db2.gz GISYZNWZTAYTLJ-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@H](NN)C1=CCCCCCC1 236186609 572733419 /nfs/dbraw/zinc/73/34/19/572733419.db2.gz PLEIKTUGFWSDBN-LBPRGKRZSA-N 0 0 194.322 2.675 10 30 AFEERN C=CCc1ccc2oc(C)nc2c1 306670240 572733429 /nfs/dbraw/zinc/73/34/29/572733429.db2.gz CJBRBYNALMXZKQ-UHFFFAOYSA-N 0 0 173.215 2.865 10 30 AFEERN C=C1C[C@H]2CCCC(=O)[C@@]2(C)C1 196676122 572733435 /nfs/dbraw/zinc/73/34/35/572733435.db2.gz SMGIENRJZJPTTJ-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CC#CCC(=O)C1(CCC)CC1 308110227 572733442 /nfs/dbraw/zinc/73/34/42/572733442.db2.gz JRMCQFWXKPDCOK-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN CC/C=C\C(=O)C(CC)CC 307888795 572733530 /nfs/dbraw/zinc/73/35/30/572733530.db2.gz AUYGYKCLBUIGGQ-FPLPWBNLSA-N 0 0 154.253 2.958 10 30 AFEERN CCCC/C=C\[C@@H]1[C@@H](C=O)C1(F)F 308110371 572733577 /nfs/dbraw/zinc/73/35/77/572733577.db2.gz NGQMOGYTMDIODP-JJKLJZTJSA-N 0 0 188.217 2.813 10 30 AFEERN CC(=O)c1ccc([C@H](C)CC=O)cc1 238470436 572733651 /nfs/dbraw/zinc/73/36/51/572733651.db2.gz OVKGOWDHUPCDGH-SECBINFHSA-N 0 0 190.242 2.582 10 30 AFEERN C/C=C\C(=O)C[C@H](C)CCC 307888822 572733715 /nfs/dbraw/zinc/73/37/15/572733715.db2.gz AXLAITZUTCDSTB-WILPJHFFSA-N 0 0 154.253 2.958 10 30 AFEERN COc1cccc(C2(C#N)CC=CC2)c1 87848752 572733817 /nfs/dbraw/zinc/73/38/17/572733817.db2.gz PTNBSJFODCLKHP-UHFFFAOYSA-N 0 0 199.253 2.807 10 30 AFEERN C=CCC[C@@H](O)C1(CCC)CC1 308102293 572733879 /nfs/dbraw/zinc/73/38/79/572733879.db2.gz GMQBUOZLMOPUJZ-SNVBAGLBSA-N 0 0 168.280 2.894 10 30 AFEERN C=C([C@@H](O)[C@@H](C)CC)C(F)(F)F 308109615 572733897 /nfs/dbraw/zinc/73/38/97/572733897.db2.gz JJRDUZHHCKICOJ-FSPLSTOPSA-N 0 0 182.185 2.512 10 30 AFEERN C[C@H](CC=O)c1cncc2ccccc12 238470650 572733919 /nfs/dbraw/zinc/73/39/19/572733919.db2.gz AVJHJBFZFGMVLU-SNVBAGLBSA-N 0 0 199.253 2.927 10 30 AFEERN C=CCc1ccsc1C(C)=O 196672386 572733973 /nfs/dbraw/zinc/73/39/73/572733973.db2.gz ZPNKCPSQAMCWGT-UHFFFAOYSA-N 0 0 166.245 2.679 10 30 AFEERN C=C([C@H](O)[C@H](C)CC)C(F)(F)F 308109616 572733992 /nfs/dbraw/zinc/73/39/92/572733992.db2.gz JJRDUZHHCKICOJ-IYSWYEEDSA-N 0 0 182.185 2.512 10 30 AFEERN C=C(C)C/C=C\[C@H](C)[C@H](C)O 307893587 572734003 /nfs/dbraw/zinc/73/40/03/572734003.db2.gz HTRYDBXKUCVCLX-XTKVZWQSSA-N 0 0 154.253 2.526 10 30 AFEERN C[C@H](CC=O)c1cnc2ccccc2c1 238470708 572734386 /nfs/dbraw/zinc/73/43/86/572734386.db2.gz VULTVUGFHUSXMH-SNVBAGLBSA-N 0 0 199.253 2.927 10 30 AFEERN C=CC[C@@H](C)C[C@@H](O)CCC 307888297 572734437 /nfs/dbraw/zinc/73/44/37/572734437.db2.gz ZJXXOTKCINLAFH-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=CCC[C@@]1(O)CCC1(C)C 306601210 572734443 /nfs/dbraw/zinc/73/44/43/572734443.db2.gz CBVZFKLQQNLKKP-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)C/C=C\[C@H](C)[C@@H](C)O 307893589 572734487 /nfs/dbraw/zinc/73/44/87/572734487.db2.gz HTRYDBXKUCVCLX-ZBOIFRAGSA-N 0 0 154.253 2.526 10 30 AFEERN C=CC[C@H](C)C[C@@H](O)CCC 307888294 572734519 /nfs/dbraw/zinc/73/45/19/572734519.db2.gz ZJXXOTKCINLAFH-UWVGGRQHSA-N 0 0 156.269 2.750 10 30 AFEERN C=C[C@@]1(C)C[C@@H](O)c2ccccc21 306639809 572734565 /nfs/dbraw/zinc/73/45/65/572734565.db2.gz IKFDQRMPOLSKGF-NEPJUHHUSA-N 0 0 174.243 2.567 10 30 AFEERN C=C[C@H](O)c1csc2c1CCCC2 306649570 572734602 /nfs/dbraw/zinc/73/46/02/572734602.db2.gz BPGBCZLNLKDGTC-JTQLQIEISA-N 0 0 194.299 2.846 10 30 AFEERN CCCCCCCC(O)=CC=O 307888570 572734689 /nfs/dbraw/zinc/73/46/89/572734689.db2.gz DOUDPKLNUWIEDM-CMDGGOBGSA-N 0 0 170.252 2.988 10 30 AFEERN C=CCCCCC[C@@H](NN)C1CCC1 236186805 572734999 /nfs/dbraw/zinc/73/49/99/572734999.db2.gz MDTWKYMNMYRREX-GFCCVEGCSA-N 0 0 196.338 2.755 10 30 AFEERN C=CC[C@]12CCC[C@]13C[C@@H]3[C@H](O)CC2 207944595 572735043 /nfs/dbraw/zinc/73/50/43/572735043.db2.gz WJEJMANBEDAGCA-FDYHWXHSSA-N 0 0 192.302 2.894 10 30 AFEERN C/C=C\C(=O)C[C@@H](C)CCC 307888819 572735275 /nfs/dbraw/zinc/73/52/75/572735275.db2.gz AXLAITZUTCDSTB-PGBBXKAQSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1cc(C#N)c(C(F)(F)F)s1 77093480 572735341 /nfs/dbraw/zinc/73/53/41/572735341.db2.gz GCBOJSHEKDUAEI-UHFFFAOYSA-N 0 0 191.177 2.947 10 30 AFEERN C=CCC(=O)c1cccc(F)c1C 306606255 572735469 /nfs/dbraw/zinc/73/54/69/572735469.db2.gz GYDPPKYIAJFYKU-UHFFFAOYSA-N 0 0 178.206 2.893 10 30 AFEERN C=C1C[C@@H]2CCCC(=O)[C@]2(C)C1 196676103 572735617 /nfs/dbraw/zinc/73/56/17/572735617.db2.gz SMGIENRJZJPTTJ-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1C[C@H]2CCCC(=O)[C@]2(C)C1 196676117 572735755 /nfs/dbraw/zinc/73/57/55/572735755.db2.gz SMGIENRJZJPTTJ-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1CC(=O)C=C[C@H]2CCC[C@@H]2C1 308108558 572735758 /nfs/dbraw/zinc/73/57/58/572735758.db2.gz LLKFIZIMHKBNBS-HBNTYKKESA-N 0 0 178.275 2.958 10 30 AFEERN C=CCSCC#Cc1ccccc1 306687380 572737633 /nfs/dbraw/zinc/73/76/33/572737633.db2.gz HNRXLEYODQVASY-UHFFFAOYSA-N 0 0 188.295 2.957 10 30 AFEERN CCc1sc(C)cc1CC#N 77095972 572735973 /nfs/dbraw/zinc/73/59/73/572735973.db2.gz BNNCFGPRYVCFMF-UHFFFAOYSA-N 0 0 165.261 2.685 10 30 AFEERN C=C(C)C[C@H](O)c1cc(C)cc(C)n1 306671386 572736434 /nfs/dbraw/zinc/73/64/34/572736434.db2.gz YRFMJFQVEDKOAY-LBPRGKRZSA-N 0 0 191.274 2.698 10 30 AFEERN Cc1[nH]c(-c2ccccc2)c(C#N)c1O 238476336 572736548 /nfs/dbraw/zinc/73/65/48/572736548.db2.gz BDBQSLNOUYKXGH-UHFFFAOYSA-N 0 0 198.225 2.567 10 30 AFEERN CCC[C@@H](C)CCCC=O 70738981 572736562 /nfs/dbraw/zinc/73/65/62/572736562.db2.gz BTHILDIHNZCUCY-SECBINFHSA-N 0 0 142.242 2.792 10 30 AFEERN C=C1C[C@@H]2CCCC(=O)[C@@]2(C)C1 196676109 572736683 /nfs/dbraw/zinc/73/66/83/572736683.db2.gz SMGIENRJZJPTTJ-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CCc1ccc(/C=C(\C)C(C)=O)o1 308107214 572736696 /nfs/dbraw/zinc/73/66/96/572736696.db2.gz ODHPCLBKOCZSJF-BQYQJAHWSA-N 0 0 178.231 2.834 10 30 AFEERN C[C@H](CC=O)O[C@H](C)C1=CCCCC1 238469373 572736706 /nfs/dbraw/zinc/73/67/06/572736706.db2.gz KXZOVPUHFQRDHC-GHMZBOCLSA-N 0 0 196.290 2.869 10 30 AFEERN C=C1[C@H](CC)[C@]12CCCCC[C@@H]2O 306694843 572736725 /nfs/dbraw/zinc/73/67/25/572736725.db2.gz UDJOMZGNECOXBO-SRVKXCTJSA-N 0 0 180.291 2.894 10 30 AFEERN COc1ccc(C2(C#N)CC=CC2)cc1 87848737 572736738 /nfs/dbraw/zinc/73/67/38/572736738.db2.gz RUIPVDSACYSDLL-UHFFFAOYSA-N 0 0 199.253 2.807 10 30 AFEERN C#CCC[C@H](O)c1ccsc1C 306658431 572736774 /nfs/dbraw/zinc/73/67/74/572736774.db2.gz NXSQZDVSSYHWHZ-JTQLQIEISA-N 0 0 180.272 2.503 10 30 AFEERN C=CCC/C=C\CC[C@@H](C)O 307890188 572736786 /nfs/dbraw/zinc/73/67/86/572736786.db2.gz CYUJAPWWJZKLFA-JYESYGNLSA-N 0 0 154.253 2.670 10 30 AFEERN C=C[C@@](F)(CC=C(C)C)[C@@H](C)O 238475100 572736793 /nfs/dbraw/zinc/73/67/93/572736793.db2.gz OUMPTNQQHGSBIS-NXEZZACHSA-N 0 0 172.243 2.618 10 30 AFEERN C[C@H](O[C@H](C)CC=O)C1=CCCCC1 238469356 572736802 /nfs/dbraw/zinc/73/68/02/572736802.db2.gz KXZOVPUHFQRDHC-MNOVXSKESA-N 0 0 196.290 2.869 10 30 AFEERN C=C[C@@](C)(O)[C@@H]1CC2CCC1CC2 306664045 572736815 /nfs/dbraw/zinc/73/68/15/572736815.db2.gz RLXZGZKVCKZKBP-KIDURHIOSA-N 0 0 180.291 2.750 10 30 AFEERN CCCC(CC)=NN(C)CC 307890530 572736883 /nfs/dbraw/zinc/73/68/83/572736883.db2.gz YXUHPFGGPTYHMQ-UHFFFAOYSA-N 0 0 156.273 2.504 10 30 AFEERN CC(=NOCC1CC1)[C@H]1CC1(C)C 393478207 572737090 /nfs/dbraw/zinc/73/70/90/572737090.db2.gz HKDMYTLKJDRXFC-SNVBAGLBSA-N 0 0 181.279 2.835 10 30 AFEERN CCCCCCCC(C)=NN 307889016 572737117 /nfs/dbraw/zinc/73/71/17/572737117.db2.gz XMPGHZZQDBSKEH-UHFFFAOYSA-N 0 0 156.273 2.682 10 30 AFEERN CC(C)COc1ccccc1C=NO 254487157 572738927 /nfs/dbraw/zinc/73/89/27/572738927.db2.gz ZQMSJOBUEHNGFA-UHFFFAOYSA-N 0 0 193.246 2.530 10 30 AFEERN Cc1cc(CCCC=O)cc(C)c1O 238475734 572737232 /nfs/dbraw/zinc/73/72/32/572737232.db2.gz TXBPYODPUCIASS-UHFFFAOYSA-N 0 0 192.258 2.531 10 30 AFEERN C=C(C)CC[C@@H](O)CC(C)(C)OC 230985052 572737233 /nfs/dbraw/zinc/73/72/33/572737233.db2.gz JJLRUYQFSZARDU-SNVBAGLBSA-N 0 0 186.295 2.519 10 30 AFEERN CC(C)Oc1cccc([C@@H]2CO2)c1 55026843 572737597 /nfs/dbraw/zinc/73/75/97/572737597.db2.gz OEDWLZMHWIRXKL-NSHDSACASA-N 0 0 178.231 2.545 10 30 AFEERN C=C[C@H]1C(=C)C[C@H]2[C@@H](O)CCC[C@]12C 306623857 572737382 /nfs/dbraw/zinc/73/73/82/572737382.db2.gz DZBSGFTUJCKKLZ-ZDEQEGDKSA-N 0 0 192.302 2.916 10 30 AFEERN CSc1sc(C)cc1C=NO 254440692 572737400 /nfs/dbraw/zinc/73/74/00/572737400.db2.gz KCCLPFMBYNECMY-UHFFFAOYSA-N 0 0 187.289 2.587 10 30 AFEERN CC(C)(C)CCCCC=O 70738985 572737685 /nfs/dbraw/zinc/73/76/85/572737685.db2.gz CBUWTGCATVNMJE-UHFFFAOYSA-N 0 0 142.242 2.792 10 30 AFEERN O=CCCCC1CCCC1 70738957 572737640 /nfs/dbraw/zinc/73/76/40/572737640.db2.gz NGWXCTRIHCYCNW-UHFFFAOYSA-N 0 0 140.226 2.546 10 30 AFEERN C[C@@H]1CC(=O)C=C[C@@H]2CCC[C@H]2C1 308108555 572737707 /nfs/dbraw/zinc/73/77/07/572737707.db2.gz LLKFIZIMHKBNBS-DCAQKATOSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H](C[C@H]1CO1)c1ccccc1 55026867 572737714 /nfs/dbraw/zinc/73/77/14/572737714.db2.gz ILCDICUYMHIHTR-ONGXEEELSA-N 0 0 162.232 2.579 10 30 AFEERN C=C[C@H](CCO)Cc1ccc(C)cc1 238475846 572737725 /nfs/dbraw/zinc/73/77/25/572737725.db2.gz POVJHFOMKRAUMX-GFCCVEGCSA-N 0 0 190.286 2.722 10 30 AFEERN C[C@@H]1CC(=O)C=C[C@H]2CCC[C@H]2C1 308108554 572737864 /nfs/dbraw/zinc/73/78/64/572737864.db2.gz LLKFIZIMHKBNBS-AXFHLTTASA-N 0 0 178.275 2.958 10 30 AFEERN C=CCC/C=C\CC[C@H](C)O 307890187 572738028 /nfs/dbraw/zinc/73/80/28/572738028.db2.gz CYUJAPWWJZKLFA-GFVADAIESA-N 0 0 154.253 2.670 10 30 AFEERN C[C@@H](C[C@@H]1CO1)c1ccccc1 55026864 572738254 /nfs/dbraw/zinc/73/82/54/572738254.db2.gz ILCDICUYMHIHTR-GXSJLCMTSA-N 0 0 162.232 2.579 10 30 AFEERN CC1(C)CC[C@]2(CO2)c2ccccc21 55026945 572738383 /nfs/dbraw/zinc/73/83/83/572738383.db2.gz KDMBWVIOGPFPRO-ZDUSSCGKSA-N 0 0 188.270 2.984 10 30 AFEERN C=C(C)/C=C/[C@@H](O)c1ccccc1 221891780 572738430 /nfs/dbraw/zinc/73/84/30/572738430.db2.gz NRYYMMHUSYTGKI-IDVQTMNDSA-N 0 0 174.243 2.852 10 30 AFEERN CC#C[C@@]1(O)CCC[C@@H](CC(C)C)C1 306657412 572738552 /nfs/dbraw/zinc/73/85/52/572738552.db2.gz HYURDQZAXKNUJN-QWHCGFSZSA-N 0 0 194.318 2.977 10 30 AFEERN C=C[C@]1(C)C(=O)[C@H]2CCCC[C@H]21 306643504 572738668 /nfs/dbraw/zinc/73/86/68/572738668.db2.gz WVJGONZMQVYPEY-NGZCFLSTSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@H](O)C#Cc1ccc2ccccc2c1 238479849 572738682 /nfs/dbraw/zinc/73/86/82/572738682.db2.gz HRFBNUQRPAUSQH-NSHDSACASA-N 0 0 196.249 2.572 10 30 AFEERN C=CC[C@H](Cc1ccccc1)[C@H](C)O 238483883 572738853 /nfs/dbraw/zinc/73/88/53/572738853.db2.gz ONZMMMFPFKFXJS-WCQYABFASA-N 0 0 190.286 2.802 10 30 AFEERN N#Cc1cccc2c1ccn2CC1CC1 236193710 572738854 /nfs/dbraw/zinc/73/88/54/572738854.db2.gz NUJKPWAGZUTYNP-UHFFFAOYSA-N 0 0 196.253 2.923 10 30 AFEERN C=C1[C@H](C(C)(C)C)[C@H]1[C@@H](O)CC 306644948 572738865 /nfs/dbraw/zinc/73/88/65/572738865.db2.gz NUDPGDIIGNOYMH-AEJSXWLSSA-N 0 0 168.280 2.606 10 30 AFEERN Cc1ccc(-c2noc(C)c2C#N)cc1 238482121 572738875 /nfs/dbraw/zinc/73/88/75/572738875.db2.gz DHXSNUIAKZXVDL-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C=C1[C@H](O)C[C@]2(C)[C@@H]3C=C(C)[C@H]1C[C@@H]32 306683656 572738881 /nfs/dbraw/zinc/73/88/81/572738881.db2.gz WTNCFARVFSIYIW-UJPOAAIJSA-N 0 0 190.286 2.526 10 30 AFEERN C=CCCCC[C@@H](C)[C@H](C)O 238481642 572738888 /nfs/dbraw/zinc/73/88/88/572738888.db2.gz FCBQWRPNYZBMCC-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN C=C[C@@H](C(=C)[C@H](C)O)c1ccccc1 238480778 572738977 /nfs/dbraw/zinc/73/89/77/572738977.db2.gz DFAUUFJHMNMQDJ-AAEUAGOBSA-N 0 0 188.270 2.893 10 30 AFEERN C/C=C/C(=O)c1ccc(OC)cc1F 234822885 572739042 /nfs/dbraw/zinc/73/90/42/572739042.db2.gz DBJBBFALQWREHE-ONEGZZNKSA-N 0 0 194.205 2.593 10 30 AFEERN C=CCC[C@@H]1CC(=O)CC[C@@]1(C)C=O 238483648 572739088 /nfs/dbraw/zinc/73/90/88/572739088.db2.gz QICLZDDQYCSFIN-PWSUYJOCSA-N 0 0 194.274 2.527 10 30 AFEERN CC(C)Oc1cccc([C@H]2CO2)c1 55026845 572739165 /nfs/dbraw/zinc/73/91/65/572739165.db2.gz OEDWLZMHWIRXKL-LLVKDONJSA-N 0 0 178.231 2.545 10 30 AFEERN C=CCCCC/C=C(/C)CO 238479092 572739184 /nfs/dbraw/zinc/73/91/84/572739184.db2.gz QXROCEBEHNHJSX-NTMALXAHSA-N 0 0 154.253 2.671 10 30 AFEERN CC(C)Oc1ccc([C@@]2(C)CO2)cc1 55032366 572739228 /nfs/dbraw/zinc/73/92/28/572739228.db2.gz SAKHUEMYBAZQRD-GFCCVEGCSA-N 0 0 192.258 2.719 10 30 AFEERN CC1(C)CC[C@@]2(CO2)c2ccccc21 55026943 572739313 /nfs/dbraw/zinc/73/93/13/572739313.db2.gz KDMBWVIOGPFPRO-CYBMUJFWSA-N 0 0 188.270 2.984 10 30 AFEERN CC[C@@H]1S[C@@H](C)CC(=NO)[C@@H]1C 254522035 572739375 /nfs/dbraw/zinc/73/93/75/572739375.db2.gz YHVCTXUGBPVHTM-ZKWXMUAHSA-N 0 0 187.308 2.757 10 30 AFEERN C[C@@H]1CC=CC(=O)C(C)(C)CC1 238478355 572739422 /nfs/dbraw/zinc/73/94/22/572739422.db2.gz KEHKRLZVDYJKFP-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1[C@H]([C@H](O)CC)[C@@H]1C(C)(C)C 306644959 572739449 /nfs/dbraw/zinc/73/94/49/572739449.db2.gz NUDPGDIIGNOYMH-OPRDCNLKSA-N 0 0 168.280 2.606 10 30 AFEERN C=CCC/C=C/C/C=C(/C)CO 238479275 572739454 /nfs/dbraw/zinc/73/94/54/572739454.db2.gz GHIFANWMJTTYDX-FKTQTOOFSA-N 0 0 166.264 2.838 10 30 AFEERN C=C[C@]12CCCC[C@@H]1[C@H](O)CCC2 306623904 572739521 /nfs/dbraw/zinc/73/95/21/572739521.db2.gz FDKLBOJSOFIFBI-IJLUTSLNSA-N 0 0 180.291 2.894 10 30 AFEERN C=CCC[C@H]1CC(=O)CC[C@@]1(C)C=O 238483631 572739535 /nfs/dbraw/zinc/73/95/35/572739535.db2.gz QICLZDDQYCSFIN-JQWIXIFHSA-N 0 0 194.274 2.527 10 30 AFEERN C=C[C@](F)(CC=C(C)C)[C@H](C)O 238479309 572739542 /nfs/dbraw/zinc/73/95/42/572739542.db2.gz OUMPTNQQHGSBIS-UWVGGRQHSA-N 0 0 172.243 2.618 10 30 AFEERN C=C[C@@H]1C(=O)CC[C@@H]2CCCC[C@H]21 306616850 572739589 /nfs/dbraw/zinc/73/95/89/572739589.db2.gz PTKKNVOAGXEWAK-GARJFASQSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H](C[C@H]1CO1)c1ccccc1 55026870 572739620 /nfs/dbraw/zinc/73/96/20/572739620.db2.gz ILCDICUYMHIHTR-KOLCDFICSA-N 0 0 162.232 2.579 10 30 AFEERN C=CCCC[C@H](C=C)[C@H](C)O 238484042 572739669 /nfs/dbraw/zinc/73/96/69/572739669.db2.gz IUSIORNKORHIJS-UWVGGRQHSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@]1(C)C[C@H](O)c2ccccc21 306639810 572739757 /nfs/dbraw/zinc/73/97/57/572739757.db2.gz IKFDQRMPOLSKGF-NWDGAFQWSA-N 0 0 174.243 2.567 10 30 AFEERN CC(C)(C)ON=C1CCCSC1 393463381 572739843 /nfs/dbraw/zinc/73/98/43/572739843.db2.gz KVLCYNOISDQFPX-UHFFFAOYSA-N 0 0 187.308 2.685 10 30 AFEERN C=C[C@H](C(=C)[C@H](C)O)c1ccccc1 238480735 572739867 /nfs/dbraw/zinc/73/98/67/572739867.db2.gz DFAUUFJHMNMQDJ-WCQYABFASA-N 0 0 188.270 2.893 10 30 AFEERN CC[C@@H]1S[C@@H](C)CC(=NO)[C@H]1C 254522030 572739900 /nfs/dbraw/zinc/73/99/00/572739900.db2.gz YHVCTXUGBPVHTM-OOZYFLPDSA-N 0 0 187.308 2.757 10 30 AFEERN CC/C(C)=C/O[C@](C)(C=O)CC 307905290 572749293 /nfs/dbraw/zinc/74/92/93/572749293.db2.gz BDIIVNIPNDFMTO-PCYYEKQGSA-N 0 0 170.252 2.684 10 30 AFEERN C[C@@H]1CC[C@@](C#N)(N2CCCCC2)C1 70766241 572741554 /nfs/dbraw/zinc/74/15/54/572741554.db2.gz KZTRHSXBNOBGCC-VXGBXAGGSA-N 0 0 192.306 2.555 10 30 AFEERN CC[C@H]1CC[C@@](Cl)(C#N)C1 70766619 572739975 /nfs/dbraw/zinc/73/99/75/572739975.db2.gz RZUTZWJQSIOTHY-YUMQZZPRSA-N 0 0 157.644 2.698 10 30 AFEERN C=C(C)C[C@]1(C)C[C@H]2C[C@H]2C1=O 306638077 572739987 /nfs/dbraw/zinc/73/99/87/572739987.db2.gz CBDHCUFXTVUDCR-FXPVBKGRSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@H]1CC[C@](C#N)(N2CCCCC2)C1 70766250 572740091 /nfs/dbraw/zinc/74/00/91/572740091.db2.gz KZTRHSXBNOBGCC-NEPJUHHUSA-N 0 0 192.306 2.555 10 30 AFEERN C=CC[C@](C)(CCO)c1ccccc1 238478026 572740109 /nfs/dbraw/zinc/74/01/09/572740109.db2.gz SMEKARDZUCSWAP-CYBMUJFWSA-N 0 0 190.286 2.903 10 30 AFEERN C=C(CCc1ccccc1)[C@H](C)O 238480566 572740133 /nfs/dbraw/zinc/74/01/33/572740133.db2.gz LMPAQPCFWJQNOH-NSHDSACASA-N 0 0 176.259 2.556 10 30 AFEERN C[C@H]1CC[C@@](C#N)(N2CCCCC2)C1 70766244 572740140 /nfs/dbraw/zinc/74/01/40/572740140.db2.gz KZTRHSXBNOBGCC-NWDGAFQWSA-N 0 0 192.306 2.555 10 30 AFEERN C=CC[C@@H](C=C)C/C=C(/C)CO 238479218 572740162 /nfs/dbraw/zinc/74/01/62/572740162.db2.gz WSGAAIHVSHUQCN-ZJRUKIMVSA-N 0 0 166.264 2.693 10 30 AFEERN Cl/C=C/C#Cc1cccs1 221888352 572740187 /nfs/dbraw/zinc/74/01/87/572740187.db2.gz VNIIZXJNQRMNBZ-QHHAFSJGSA-N 0 0 168.648 2.852 10 30 AFEERN CC[C@@H]1CC[C@@](Cl)(C#N)C1 70766614 572740423 /nfs/dbraw/zinc/74/04/23/572740423.db2.gz RZUTZWJQSIOTHY-SFYZADRCSA-N 0 0 157.644 2.698 10 30 AFEERN C#C[C@H](O)c1ccc(C)c2ccccc12 238479941 572740458 /nfs/dbraw/zinc/74/04/58/572740458.db2.gz HJRFCOLIJXEXPH-AWEZNQCLSA-N 0 0 196.249 2.815 10 30 AFEERN CC(C)Oc1ccc([C@]2(C)CO2)cc1 55032364 572740532 /nfs/dbraw/zinc/74/05/32/572740532.db2.gz SAKHUEMYBAZQRD-LBPRGKRZSA-N 0 0 192.258 2.719 10 30 AFEERN CC[C@@H]1S[C@H](C)CC(=NO)[C@@H]1C 254522023 572740695 /nfs/dbraw/zinc/74/06/95/572740695.db2.gz YHVCTXUGBPVHTM-FJXKBIBVSA-N 0 0 187.308 2.757 10 30 AFEERN C[C@H]1CC[C@](C#N)(N2CCCCC2)C1 70766253 572740900 /nfs/dbraw/zinc/74/09/00/572740900.db2.gz KZTRHSXBNOBGCC-RYUDHWBXSA-N 0 0 192.306 2.555 10 30 AFEERN O=C[C@H](F)C12CC3CC(CC(C3)C1)C2 207956448 572740780 /nfs/dbraw/zinc/74/07/80/572740780.db2.gz YRFYRHYNJSQIIO-CRCJWISWSA-N 0 0 196.265 2.740 10 30 AFEERN CC[C@@H]1S[C@H](C)CC(=NO)[C@H]1C 254522018 572740793 /nfs/dbraw/zinc/74/07/93/572740793.db2.gz YHVCTXUGBPVHTM-BHNWBGBOSA-N 0 0 187.308 2.757 10 30 AFEERN C=C(/C=C/CCC#N)CCC(C)=O 308108613 572740804 /nfs/dbraw/zinc/74/08/04/572740804.db2.gz LQYRGGSTUHFTQG-GQCTYLIASA-N 0 0 177.247 2.772 10 30 AFEERN CC[C@H]1CC[C@](Cl)(C#N)C1 70766613 572741110 /nfs/dbraw/zinc/74/11/10/572741110.db2.gz RZUTZWJQSIOTHY-JGVFFNPUSA-N 0 0 157.644 2.698 10 30 AFEERN C[C@H](C[C@@H]1CO1)c1ccccc1 55026865 572741400 /nfs/dbraw/zinc/74/14/00/572741400.db2.gz ILCDICUYMHIHTR-MWLCHTKSSA-N 0 0 162.232 2.579 10 30 AFEERN C=CCc1cc2ccccc2c(=O)[nH]1 306796270 572742075 /nfs/dbraw/zinc/74/20/75/572742075.db2.gz HIQBJKBIBCBSDY-UHFFFAOYSA-N 0 0 185.226 2.669 10 30 AFEERN C=CCCC[C@@H](CO)C(C)(C)C 404479378 572741486 /nfs/dbraw/zinc/74/14/86/572741486.db2.gz VINXZPXIJQGBRQ-JTQLQIEISA-N 0 0 170.296 2.997 10 30 AFEERN CC[C@@H]1CC[C@](Cl)(C#N)C1 70766610 572741552 /nfs/dbraw/zinc/74/15/52/572741552.db2.gz RZUTZWJQSIOTHY-HTQZYQBOSA-N 0 0 157.644 2.698 10 30 AFEERN C=C[C@H](O)[C@H](C)Sc1ccccc1 238474282 572741644 /nfs/dbraw/zinc/74/16/44/572741644.db2.gz JDPCJMDNQRNULM-ONGXEEELSA-N 0 0 194.299 2.714 10 30 AFEERN CC#CC[C@H](O)[C@H]1CCCC[C@@H]1C 306742945 572741756 /nfs/dbraw/zinc/74/17/56/572741756.db2.gz WJHUASCCGDYWCY-SRVKXCTJSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(C)/C=C/[C@H](O)c1ccccc1 221891723 572742127 /nfs/dbraw/zinc/74/21/27/572742127.db2.gz NRYYMMHUSYTGKI-BCPZQOPPSA-N 0 0 174.243 2.852 10 30 AFEERN C=C(Br)COCC(C)C 306723959 572742194 /nfs/dbraw/zinc/74/21/94/572742194.db2.gz SYTKTKNSSJOZID-UHFFFAOYSA-N 0 0 193.084 2.568 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1CCO 306689387 572742361 /nfs/dbraw/zinc/74/23/61/572742361.db2.gz OCAQFCVUCXXWGC-WOPDTQHZSA-N 0 0 182.307 2.997 10 30 AFEERN CC#CC[C@H](O)c1cc(C)cs1 306750045 572742494 /nfs/dbraw/zinc/74/24/94/572742494.db2.gz KHNAEPCTQLPLRF-VIFPVBQESA-N 0 0 180.272 2.503 10 30 AFEERN CCC#CC/C=C\Br 306738724 572742599 /nfs/dbraw/zinc/74/25/99/572742599.db2.gz IROYCJRAPRRDMI-SREVYHEPSA-N 0 0 173.053 2.699 10 30 AFEERN C[C@]1(CCCC=O)CCCC(=O)C1 238474413 572742675 /nfs/dbraw/zinc/74/26/75/572742675.db2.gz LZRZHTTYWVYPMX-NSHDSACASA-N 0 0 182.263 2.505 10 30 AFEERN CCC(C)=Nc1ccc(N)cc1 307899986 572742679 /nfs/dbraw/zinc/74/26/79/572742679.db2.gz XUJBIGPETUGVOG-UHFFFAOYSA-N 0 0 162.236 2.771 10 30 AFEERN C=CCc1ccc(/C=C/C)[nH]1 306793260 572742854 /nfs/dbraw/zinc/74/28/54/572742854.db2.gz GUMWOLOTKVGNNR-GQCTYLIASA-N 0 0 147.221 2.776 10 30 AFEERN C#C[C@@H](O)c1ccc(C)c2ccccc12 238490004 572742931 /nfs/dbraw/zinc/74/29/31/572742931.db2.gz HJRFCOLIJXEXPH-CQSZACIVSA-N 0 0 196.249 2.815 10 30 AFEERN C[C@]1(CCCC=O)CCCCC1=O 238474444 572742959 /nfs/dbraw/zinc/74/29/59/572742959.db2.gz ILASFRMMYIOUGT-LLVKDONJSA-N 0 0 182.263 2.505 10 30 AFEERN C=C[C@@H](O)[C@H](C)Sc1ccccc1 238474355 572743044 /nfs/dbraw/zinc/74/30/44/572743044.db2.gz JDPCJMDNQRNULM-GXSJLCMTSA-N 0 0 194.299 2.714 10 30 AFEERN C=C(C)CCNc1cc(F)ccc1N 306742493 572743074 /nfs/dbraw/zinc/74/30/74/572743074.db2.gz VXAPBMMJHWZHEZ-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN C/C=C\C[C@@H]1C(=O)C=CC[C@@H]1C 307899456 572743079 /nfs/dbraw/zinc/74/30/79/572743079.db2.gz VXYUQIMZZGFZTM-CMIOBCHKSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H](OCCCCC#N)C(F)(F)F 85421976 572743172 /nfs/dbraw/zinc/74/31/72/572743172.db2.gz IRVDLLBHVVROPR-SSDOTTSWSA-N 0 0 195.184 2.648 10 30 AFEERN C[C@H](OCCCCC#N)C(F)(F)F 85421975 572743277 /nfs/dbraw/zinc/74/32/77/572743277.db2.gz IRVDLLBHVVROPR-ZETCQYMHSA-N 0 0 195.184 2.648 10 30 AFEERN C=C(CC)[C@H](C)[C@@H](O)/C=C\C 307902648 572747290 /nfs/dbraw/zinc/74/72/90/572747290.db2.gz WOMKLKGVWKDCFZ-XTKVZWQSSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@@H]1CCC(=O)[C@@H]1C/C=C\C 307903350 572747298 /nfs/dbraw/zinc/74/72/98/572747298.db2.gz KVYOMSWYCQMTFH-QBNQYXCASA-N 0 0 164.248 2.734 10 30 AFEERN CC(C)(C)C(=NO)c1ccccc1 254826711 572743777 /nfs/dbraw/zinc/74/37/77/572743777.db2.gz JYIYPKOJFKMEKS-UHFFFAOYSA-N 0 0 177.247 2.911 10 30 AFEERN C=C(C)/C=C\[C@@H]1CCC[C@H]1C=O 307901718 572747301 /nfs/dbraw/zinc/74/73/01/572747301.db2.gz HIQYCJKMWKBFGD-TWHAFNCTSA-N 0 0 164.248 2.734 10 30 AFEERN CC(=NO)c1c(C)[nH]c2ccccc12 254762716 572744093 /nfs/dbraw/zinc/74/40/93/572744093.db2.gz JRQNNJQJEYZMRG-UHFFFAOYSA-N 0 0 188.230 2.675 10 30 AFEERN C=C(C)CCC(=O)/C=C\CC 307898194 572744182 /nfs/dbraw/zinc/74/41/82/572744182.db2.gz OIQILTAVPRPFDN-WAYWQWQTSA-N 0 0 152.237 2.878 10 30 AFEERN C#C[C@@H](CC)Nc1ncc(C)cc1C 307635704 572744356 /nfs/dbraw/zinc/74/43/56/572744356.db2.gz SHAQTEKEAIRREU-NSHDSACASA-N 0 0 188.274 2.522 10 30 AFEERN C=CC[C@H]1C=Cc2ccccc2[C@@H]1O 306788882 572744585 /nfs/dbraw/zinc/74/45/85/572744585.db2.gz XNDMDFJDFRHCBZ-WCQYABFASA-N 0 0 186.254 2.939 10 30 AFEERN C=CC(C)C=C(C)C(=O)C=CC 307897958 572744671 /nfs/dbraw/zinc/74/46/71/572744671.db2.gz CAPJAFJRHKYPQH-FTWMVBMDSA-N 0 0 164.248 2.900 10 30 AFEERN C=CC(C)C=C(C)C(=O)C=CC 307897959 572744701 /nfs/dbraw/zinc/74/47/01/572744701.db2.gz CAPJAFJRHKYPQH-QCYACJBJSA-N 0 0 164.248 2.900 10 30 AFEERN CC#CC[C@H](O)[C@H]1CCCC[C@H]1C 306742948 572744731 /nfs/dbraw/zinc/74/47/31/572744731.db2.gz WJHUASCCGDYWCY-WOPDTQHZSA-N 0 0 180.291 2.587 10 30 AFEERN C#C[C@H](CC)Nc1ncc(C)cc1C 307635703 572744743 /nfs/dbraw/zinc/74/47/43/572744743.db2.gz SHAQTEKEAIRREU-LLVKDONJSA-N 0 0 188.274 2.522 10 30 AFEERN CCCCC/C(=C/C(C)=O)OC 307897988 572744849 /nfs/dbraw/zinc/74/48/49/572744849.db2.gz CETJTJVPSXIOCS-NTMALXAHSA-N 0 0 170.252 2.686 10 30 AFEERN CCCC(=NO)c1cc(C)ccc1O 254839124 572744866 /nfs/dbraw/zinc/74/48/66/572744866.db2.gz BIOLBRYOYWETIV-UHFFFAOYSA-N 0 0 193.246 2.679 10 30 AFEERN CC(=NO)/C(C)=C/c1ccccc1 254843404 572744957 /nfs/dbraw/zinc/74/49/57/572744957.db2.gz RPCAQDVUXPFSNA-OEQIPAJASA-N 0 0 175.231 2.940 10 30 AFEERN ON=C1CCCCc2sccc21 254815988 572745165 /nfs/dbraw/zinc/74/51/65/572745165.db2.gz IXIDLXSEAAKLNE-UHFFFAOYSA-N 0 0 181.260 2.653 10 30 AFEERN O=C[C@H]1[C@H]2CCCCCC=C[C@H]12 307906985 572745303 /nfs/dbraw/zinc/74/53/03/572745303.db2.gz RVKIDVTXBXJNDZ-GARJFASQSA-N 0 0 164.248 2.568 10 30 AFEERN ON=C1Cc2cccc3cccc1c23 254826165 572745710 /nfs/dbraw/zinc/74/57/10/572745710.db2.gz YBYBQPOXHIHVOX-UHFFFAOYSA-N 0 0 183.210 2.574 10 30 AFEERN C=C[C@@H](/C=C/C)C(=O)C(C)(C)C 307906907 572745738 /nfs/dbraw/zinc/74/57/38/572745738.db2.gz RMRBUECSTCIJGR-ORZBULNSSA-N 0 0 166.264 2.980 10 30 AFEERN C#CCCSCCCCCF 307906961 572745750 /nfs/dbraw/zinc/74/57/50/572745750.db2.gz SHAWMFXPJWFIHU-UHFFFAOYSA-N 0 0 174.284 2.883 10 30 AFEERN O=C[C@@H]1[C@@H]2C=CCCCCC[C@@H]12 307906986 572745810 /nfs/dbraw/zinc/74/58/10/572745810.db2.gz RVKIDVTXBXJNDZ-GMTAPVOTSA-N 0 0 164.248 2.568 10 30 AFEERN CC(=NO)/C(C)=C\c1ccccc1 254843405 572745823 /nfs/dbraw/zinc/74/58/23/572745823.db2.gz RPCAQDVUXPFSNA-RUDQTMJKSA-N 0 0 175.231 2.940 10 30 AFEERN O=C[C@@H]1[C@@H]2C=CCCCCC[C@H]12 307906990 572745824 /nfs/dbraw/zinc/74/58/24/572745824.db2.gz RVKIDVTXBXJNDZ-OUAUKWLOSA-N 0 0 164.248 2.568 10 30 AFEERN CC/C(C=NO)=C\c1ccccc1 254807902 572745852 /nfs/dbraw/zinc/74/58/52/572745852.db2.gz GTCXUQFIPRBOJE-IMSVXUGVSA-N 0 0 175.231 2.940 10 30 AFEERN CC/C(C=NO)=C/c1ccccc1 254807903 572745950 /nfs/dbraw/zinc/74/59/50/572745950.db2.gz GTCXUQFIPRBOJE-RUKPKDLFSA-N 0 0 175.231 2.940 10 30 AFEERN O=C1CCC=C1c1cc(F)cc(F)c1 307635468 572745990 /nfs/dbraw/zinc/74/59/90/572745990.db2.gz RQFIIBFQMYECGV-UHFFFAOYSA-N 0 0 194.180 2.711 10 30 AFEERN Cc1ccc(C)c2c1CCCC2=NO 254904276 572746067 /nfs/dbraw/zinc/74/60/67/572746067.db2.gz BQSOISDFKVEZFS-UHFFFAOYSA-N 0 0 189.258 2.818 10 30 AFEERN CC(=NO)C1=CC(C)(C)CCC1 254847317 572746073 /nfs/dbraw/zinc/74/60/73/572746073.db2.gz YWDQZPNNZBJOIM-UHFFFAOYSA-N 0 0 167.252 2.973 10 30 AFEERN C=CC[C@H](C)C/C=C\[C@H](C)O 307902579 572746075 /nfs/dbraw/zinc/74/60/75/572746075.db2.gz WCKXKABPLQFZAL-VAJAEUGUSA-N 0 0 154.253 2.526 10 30 AFEERN CC/C=C\C(=O)C1CCCC1 307902638 572747357 /nfs/dbraw/zinc/74/73/57/572747357.db2.gz WMTWGMVAHPIBKD-BAQGIRSFSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)[C@H](O)c1ccc(C)cc1OC 306734848 572746102 /nfs/dbraw/zinc/74/61/02/572746102.db2.gz ONZBEWCPBJGPKV-LBPRGKRZSA-N 0 0 192.258 2.613 10 30 AFEERN C=C[C@@H](/C=C\CCCC)CO 307901735 572746168 /nfs/dbraw/zinc/74/61/68/572746168.db2.gz UYFREFIDEGUMKU-DMEOUFDRSA-N 0 0 154.253 2.527 10 30 AFEERN C/C=C/C=C\[C@@H]1C=CC[C@H]1C=O 307903283 572746291 /nfs/dbraw/zinc/74/62/91/572746291.db2.gz JUNCRXXLJBNERB-WVXHVBQDSA-N 0 0 162.232 2.510 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)/C(=C/CO)C1 306747073 572746341 /nfs/dbraw/zinc/74/63/41/572746341.db2.gz DPVWONXBGUNKGT-GNAUDSRASA-N 0 0 180.291 2.917 10 30 AFEERN C=CCC[C@H](O)C1(CC)CC1 307902557 572746368 /nfs/dbraw/zinc/74/63/68/572746368.db2.gz OTLLVPKIYCAJBF-VIFPVBQESA-N 0 0 154.253 2.504 10 30 AFEERN C=CCC[C@@H](O)C1(CC)CC1 307902556 572746436 /nfs/dbraw/zinc/74/64/36/572746436.db2.gz OTLLVPKIYCAJBF-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN C#CCCCSCCC1CC1 307902439 572746504 /nfs/dbraw/zinc/74/65/04/572746504.db2.gz OMWCXTXBFAHQLN-UHFFFAOYSA-N 0 0 168.305 2.933 10 30 AFEERN C=C[C@@H]1CCC(=O)[C@H]1C/C=C\C 307903349 572746532 /nfs/dbraw/zinc/74/65/32/572746532.db2.gz KVYOMSWYCQMTFH-OSCQXZJKSA-N 0 0 164.248 2.734 10 30 AFEERN C/C=C1\CC(C)(C)CCC1=O 38665292 572746546 /nfs/dbraw/zinc/74/65/46/572746546.db2.gz ZMPHKSUOIYSSOS-XBXARRHUSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(CC)[C@H](C)[C@H](O)/C=C\C 307902649 572746562 /nfs/dbraw/zinc/74/65/62/572746562.db2.gz WOMKLKGVWKDCFZ-ZBOIFRAGSA-N 0 0 154.253 2.526 10 30 AFEERN Oc1ccc(N=Cc2cccnc2)cc1 254790199 572746568 /nfs/dbraw/zinc/74/65/68/572746568.db2.gz AJLFEWZCUAQSFP-UHFFFAOYSA-N 0 0 198.225 2.538 10 30 AFEERN C=C(C)C/C=C\CCCCO 307901697 572746618 /nfs/dbraw/zinc/74/66/18/572746618.db2.gz UTIDUHVUWCIWEA-XQRVVYSFSA-N 0 0 154.253 2.671 10 30 AFEERN CC/C=C1/C(=O)C[C@@H]2CCC[C@@H]12 307902683 572746645 /nfs/dbraw/zinc/74/66/45/572746645.db2.gz IWCQXNSQMFYLRZ-FJWFXUPDSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1C[C@H](O)[C@@H](C)[C@H]2C[C@@H](C)CC[C@H]12 306755094 572746649 /nfs/dbraw/zinc/74/66/49/572746649.db2.gz NBROIJQMIKDZCX-FXAPSIEYSA-N 0 0 194.318 2.996 10 30 AFEERN C=C(C)[C@H](C)CC[C@H](C)CO 307902734 572746664 /nfs/dbraw/zinc/74/66/64/572746664.db2.gz WTYWMZGZZLCEOF-VHSXEESVSA-N 0 0 156.269 2.607 10 30 AFEERN C=CCC/C(C)=C/[C@@H](C)CO 307901662 572746697 /nfs/dbraw/zinc/74/66/97/572746697.db2.gz URGVTMFALBAFET-TTZKWOQHSA-N 0 0 154.253 2.527 10 30 AFEERN CCC(O)=CC(=O)CCC(C)C 307902606 572746774 /nfs/dbraw/zinc/74/67/74/572746774.db2.gz IOOSSDBXEVMBJX-YFHOEESVSA-N 0 0 170.252 2.844 10 30 AFEERN CC/C=C1/C(=O)C[C@@H]2CCC[C@H]12 307902685 572746781 /nfs/dbraw/zinc/74/67/81/572746781.db2.gz IWCQXNSQMFYLRZ-HWGDKWFUSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@H](C)/C=C(\C)CCO 307902976 572746844 /nfs/dbraw/zinc/74/68/44/572746844.db2.gz WUHVZPJUFPFXGW-WKMLFNHBSA-N 0 0 154.253 2.527 10 30 AFEERN C[C@H](C#N)[C@H](O)CC1CCCCCC1 307638318 572747018 /nfs/dbraw/zinc/74/70/18/572747018.db2.gz YCCNXBGDJCEVEU-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN CCCCCCC(=O)C=C(C)O 307902756 572747182 /nfs/dbraw/zinc/74/71/82/572747182.db2.gz JEAWAHUJCMGGAN-CMDGGOBGSA-N 0 0 170.252 2.988 10 30 AFEERN C[C@H](C#N)[C@@H](O)CC1CCCCCC1 307638317 572747216 /nfs/dbraw/zinc/74/72/16/572747216.db2.gz YCCNXBGDJCEVEU-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)(C)CCCC#N 49256443 572747567 /nfs/dbraw/zinc/74/75/67/572747567.db2.gz WVRLZGYZLCMBOU-UHFFFAOYSA-N 0 0 125.215 2.726 10 30 AFEERN C=CCC/C(C)=C/[C@H](C)CO 307901659 572747644 /nfs/dbraw/zinc/74/76/44/572747644.db2.gz URGVTMFALBAFET-PCYYEKQGSA-N 0 0 154.253 2.527 10 30 AFEERN CCO/C(=C/C(C)=O)C(C)(C)C 307903333 572747717 /nfs/dbraw/zinc/74/77/17/572747717.db2.gz KPHLWQPAIHDYSH-VQHVLOKHSA-N 0 0 170.252 2.542 10 30 AFEERN C=C(C)/C=C\[C@@H]1CCC[C@@H]1C=O 307901717 572747775 /nfs/dbraw/zinc/74/77/75/572747775.db2.gz HIQYCJKMWKBFGD-QIAMSNJGSA-N 0 0 164.248 2.734 10 30 AFEERN C=CC[C@@H](C)/C=C(\C)CCO 307902975 572747832 /nfs/dbraw/zinc/74/78/32/572747832.db2.gz WUHVZPJUFPFXGW-NCXKZPMSSA-N 0 0 154.253 2.527 10 30 AFEERN CC(C)(C)/C=N/OC/C=C/Cl 307637237 572749027 /nfs/dbraw/zinc/74/90/27/572749027.db2.gz WKAUBZCVHRPUDP-YIORLJKJSA-N 0 0 175.659 2.787 10 30 AFEERN C=C(C)CC(=O)/C(=C\C)CC 307904943 572748690 /nfs/dbraw/zinc/74/86/90/572748690.db2.gz ZVJIVCIOXLHUOH-UITAMQMPSA-N 0 0 152.237 2.878 10 30 AFEERN C=C1CC[C@H](C)[C@H]1/C=C\C(C)=O 307905498 572748743 /nfs/dbraw/zinc/74/87/43/572748743.db2.gz PFXJRDCNXJIQMH-HPJPHGGJSA-N 0 0 164.248 2.734 10 30 AFEERN C=C1C[C@@]2(C)[C@H]1C(=O)CC[C@H]2C 306794228 572748803 /nfs/dbraw/zinc/74/88/03/572748803.db2.gz SHOQUFWRKWVFQY-FBIMIBRVSA-N 0 0 164.248 2.568 10 30 AFEERN CC/C(C)=C\O[C@](C)(C=O)CC 307905291 572748867 /nfs/dbraw/zinc/74/88/67/572748867.db2.gz BDIIVNIPNDFMTO-RNKPRXRFSA-N 0 0 170.252 2.684 10 30 AFEERN CC/C=C\C(=O)c1ccsc1 307904770 572749119 /nfs/dbraw/zinc/74/91/19/572749119.db2.gz ZHWSPJMLYLCFAI-ARJAWSKDSA-N 0 0 166.245 2.897 10 30 AFEERN C=C[C@H](CCC)[C@H](O)/C=C/C 307904778 572749181 /nfs/dbraw/zinc/74/91/81/572749181.db2.gz ZJGWOBBXUSSNAC-STFJZOTBSA-N 0 0 154.253 2.526 10 30 AFEERN CC/C(C)=C/O[C@@](C)(C=O)CC 307905293 572749519 /nfs/dbraw/zinc/74/95/19/572749519.db2.gz BDIIVNIPNDFMTO-TTZKWOQHSA-N 0 0 170.252 2.684 10 30 AFEERN CCCCC(=O)/C=C(\C)OCC 307904742 572749936 /nfs/dbraw/zinc/74/99/36/572749936.db2.gz OMOQRRUFYWKOHD-CMDGGOBGSA-N 0 0 170.252 2.686 10 30 AFEERN C=C[C@H](CCC)[C@H](O)/C=C\C 307904777 572749939 /nfs/dbraw/zinc/74/99/39/572749939.db2.gz ZJGWOBBXUSSNAC-MMIMJOASSA-N 0 0 154.253 2.526 10 30 AFEERN C=C1CC[C@H](C)[C@@H]1/C=C\C(C)=O 307905499 572749942 /nfs/dbraw/zinc/74/99/42/572749942.db2.gz PFXJRDCNXJIQMH-RWTFEVOBSA-N 0 0 164.248 2.734 10 30 AFEERN CC/C(C)=C\O[C@@](C)(C=O)CC 307905294 572749945 /nfs/dbraw/zinc/74/99/45/572749945.db2.gz BDIIVNIPNDFMTO-UJICNMFASA-N 0 0 170.252 2.684 10 30 AFEERN C[C@@H](C#N)[C@@H](O)CC1CCCCCC1 307638316 572749973 /nfs/dbraw/zinc/74/99/73/572749973.db2.gz YCCNXBGDJCEVEU-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H](C#N)[C@H](O)CC1CCCCCC1 307638315 572750040 /nfs/dbraw/zinc/75/00/40/572750040.db2.gz YCCNXBGDJCEVEU-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1ccccc1-c1ncc(CC#N)o1 238501070 572751059 /nfs/dbraw/zinc/75/10/59/572751059.db2.gz CUBXMSGEMNBFMT-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN C=C[C@@H](C)Nc1cccc(C)c1C#N 235248826 572751120 /nfs/dbraw/zinc/75/11/20/572751120.db2.gz LCIZVMPKXQHLJA-SNVBAGLBSA-N 0 0 186.258 2.853 10 30 AFEERN C=C(C)[C@@]1(C)C=C(C)CCC1=O 222527268 572751238 /nfs/dbraw/zinc/75/12/38/572751238.db2.gz KMVDUQIDJGJSMH-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN C=C1C[C@@H](O)[C@H]2CCCC[C@@H]2C1 306740590 572751286 /nfs/dbraw/zinc/75/12/86/572751286.db2.gz CGQCDNROLXNLLH-OUAUKWLOSA-N 0 0 166.264 2.504 10 30 AFEERN C=C1C[C@H](O)[C@](C)(c2ccccc2)C1 306725006 572751311 /nfs/dbraw/zinc/75/13/11/572751311.db2.gz JVBKZZMULYIIRV-STQMWFEESA-N 0 0 188.270 2.655 10 30 AFEERN N#CCCCCOCC1CCCC1 85487979 572751388 /nfs/dbraw/zinc/75/13/88/572751388.db2.gz HTTUWIFCLWXMHW-UHFFFAOYSA-N 0 0 181.279 2.887 10 30 AFEERN C[C@H]1C[C@@H]1c1ccc(CCC=O)o1 238509866 572751520 /nfs/dbraw/zinc/75/15/20/572751520.db2.gz IVDMPQGIAORVHR-WPRPVWTQSA-N 0 0 178.231 2.535 10 30 AFEERN Cc1cccc([C@@H]2CCC(=O)C2)c1C#N 238505754 572751780 /nfs/dbraw/zinc/75/17/80/572751780.db2.gz LMQGQCOQCRUGGD-SNVBAGLBSA-N 0 0 199.253 2.703 10 30 AFEERN Cc1cc([C@@H]2CCC(=O)C2)ccc1C#N 238505697 572751846 /nfs/dbraw/zinc/75/18/46/572751846.db2.gz BDHVXSJMSIMDTG-LLVKDONJSA-N 0 0 199.253 2.703 10 30 AFEERN CCCCC#C[C@@]12C[C@@H]1CCC[C@H]2O 306756064 572751980 /nfs/dbraw/zinc/75/19/80/572751980.db2.gz QWOUMTMQMQFXMV-YNEHKIRRSA-N 0 0 192.302 2.731 10 30 AFEERN Cc1cc([C@@H]2CCCC2=O)ccc1C#N 238506555 572752173 /nfs/dbraw/zinc/75/21/73/572752173.db2.gz JXIINCIAMNLSFE-LBPRGKRZSA-N 0 0 199.253 2.703 10 30 AFEERN C=CCC1=C[C@@H](CC=C)N=C(Cl)N1 238510429 572752396 /nfs/dbraw/zinc/75/23/96/572752396.db2.gz JAQSCZSYCMPHLK-MRVPVSSYSA-N 0 0 196.681 2.589 10 30 AFEERN C[C@@H](/C=C\C(=O)C(C)(C)C)CF 307909018 572752452 /nfs/dbraw/zinc/75/24/52/572752452.db2.gz WIFZCKXSMTUSCS-SLGIHZDVSA-N 0 0 172.243 2.763 10 30 AFEERN C=C1C[C@@H]2C[C@H](C)C[C@H](C1)C2=O 306746216 572752610 /nfs/dbraw/zinc/75/26/10/572752610.db2.gz DHVCKNCDLYHUOH-ILWJIGKKSA-N 0 0 164.248 2.568 10 30 AFEERN N#CCC1(COCC2CCCC2)CC1 85487982 572752685 /nfs/dbraw/zinc/75/26/85/572752685.db2.gz KWMFBZPNGHXDJT-UHFFFAOYSA-N 0 0 193.290 2.887 10 30 AFEERN Cc1ccccc1-c1noc(C)c1C#N 238501614 572753436 /nfs/dbraw/zinc/75/34/36/572753436.db2.gz CQGGFUUENUKNGJ-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C=C[C@]1(C)[C@H](C)[C@H](O)[C@]2(C)CCC[C@H]12 306703575 572752985 /nfs/dbraw/zinc/75/29/85/572752985.db2.gz GUVQAXPPHWKTIM-UJPOAAIJSA-N 0 0 194.318 2.996 10 30 AFEERN CCCC(=O)/C=C(\CCC)OC 307909012 572753483 /nfs/dbraw/zinc/75/34/83/572753483.db2.gz WGWMDPFSFBUIQF-CSKARUKUSA-N 0 0 170.252 2.686 10 30 AFEERN C=C[C@@H]1C(=C)C[C@@H]2[C@H](O)CCC[C@]21C 306721659 572753822 /nfs/dbraw/zinc/75/38/22/572753822.db2.gz DZBSGFTUJCKKLZ-LPWJVIDDSA-N 0 0 192.302 2.916 10 30 AFEERN C=C1[C@@H](O)C[C@@H](c2ccccc2)[C@@H]1C 306754126 572753662 /nfs/dbraw/zinc/75/36/62/572753662.db2.gz POPKYZMHADSADV-WQAKAFBOSA-N 0 0 188.270 2.727 10 30 AFEERN Cc1cccc([C@@H]2CCCC2=O)c1C#N 238506398 572753728 /nfs/dbraw/zinc/75/37/28/572753728.db2.gz AQEPDCXMFIQITR-NSHDSACASA-N 0 0 199.253 2.703 10 30 AFEERN C[C@H](OC[C@]1(C)CO1)c1ccccc1 85501728 572754220 /nfs/dbraw/zinc/75/42/20/572754220.db2.gz IXTTXFXEEYBQCL-CMPLNLGQSA-N 0 0 192.258 2.553 10 30 AFEERN C[C@H](OC[C@@]1(C)CO1)c1ccccc1 85501730 572754239 /nfs/dbraw/zinc/75/42/39/572754239.db2.gz IXTTXFXEEYBQCL-JQWIXIFHSA-N 0 0 192.258 2.553 10 30 AFEERN C#C/C(C)=C/C[C@H]1CCCC[C@@H]1O 306772358 572754385 /nfs/dbraw/zinc/75/43/85/572754385.db2.gz DJSWXBBVAAIAMX-RIYCMIKQSA-N 0 0 178.275 2.507 10 30 AFEERN C=C[C@@H](C)[C@H](C)/C=C/CC(C)=O 307909506 572754466 /nfs/dbraw/zinc/75/44/66/572754466.db2.gz XFJAWUPDZKOIMC-UHHSMLKOSA-N 0 0 166.264 2.980 10 30 AFEERN C=C[C@@H](C)[C@@H](C)/C=C/CC(C)=O 307909507 572754668 /nfs/dbraw/zinc/75/46/68/572754668.db2.gz XFJAWUPDZKOIMC-YJOJJWFDSA-N 0 0 166.264 2.980 10 30 AFEERN C=C/C=C\[C@@H]1CCCC[C@@H]1C=O 307909529 572754732 /nfs/dbraw/zinc/75/47/32/572754732.db2.gz XMSNVLLGBYUCEW-KQLCGWBMSA-N 0 0 164.248 2.734 10 30 AFEERN C=C/C=C\[C@@H]1CCCC[C@H]1C=O 307909528 572755044 /nfs/dbraw/zinc/75/50/44/572755044.db2.gz XMSNVLLGBYUCEW-APUFIWCYSA-N 0 0 164.248 2.734 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1OC[C@]1(C)CO1 85501690 572755055 /nfs/dbraw/zinc/75/50/55/572755055.db2.gz BLLCBUHPKQCUKS-GRYCIOLGSA-N 0 0 198.306 2.761 10 30 AFEERN C=CCC(=O)C1(CCC)CC1 307910008 572755059 /nfs/dbraw/zinc/75/50/59/572755059.db2.gz VSZSSVKYAZLOEC-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN O=C[C@@H]1C[C@@H]2CCCCCC=C[C@@H]21 308114015 572755271 /nfs/dbraw/zinc/75/52/71/572755271.db2.gz RVYBCRXAZLTIAD-SRVKXCTJSA-N 0 0 178.275 2.958 10 30 AFEERN CC1=CC(=O)[C@@H]2CCC[C@H]2CC=C1 308113549 572755073 /nfs/dbraw/zinc/75/50/73/572755073.db2.gz RIZGKWMCPAOUTJ-GHMZBOCLSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccc([C@@H]2CCC(=O)C2)cc1C#N 238510927 572755086 /nfs/dbraw/zinc/75/50/86/572755086.db2.gz RLNYDTWPRVGHET-LLVKDONJSA-N 0 0 199.253 2.703 10 30 AFEERN C/C=C1\C(=O)[C@@H]2CCC[C@@H]2C1(C)C 308112919 572755602 /nfs/dbraw/zinc/75/56/02/572755602.db2.gz PZBNFOARBQZUJH-OCSORSNKSA-N 0 0 178.275 2.958 10 30 AFEERN CC[C@@H]1CCCC[C@H]1OC[C@]1(C)CO1 85501692 572755609 /nfs/dbraw/zinc/75/56/09/572755609.db2.gz BLLCBUHPKQCUKS-IJLUTSLNSA-N 0 0 198.306 2.761 10 30 AFEERN Cc1ccc([C@@H]2CCCC2=O)cc1C#N 238512134 572755925 /nfs/dbraw/zinc/75/59/25/572755925.db2.gz KVXSTNDDJIOCPO-LBPRGKRZSA-N 0 0 199.253 2.703 10 30 AFEERN Cc1cc([C@H]2CCC(=O)C2)ccc1C#N 238521302 572755835 /nfs/dbraw/zinc/75/58/35/572755835.db2.gz BDHVXSJMSIMDTG-NSHDSACASA-N 0 0 199.253 2.703 10 30 AFEERN C=C[C@]1(C)[C@H](C)[C@H](O)[C@@]2(C)CCC[C@H]12 306703559 572755977 /nfs/dbraw/zinc/75/59/77/572755977.db2.gz GUVQAXPPHWKTIM-LBELIVKGSA-N 0 0 194.318 2.996 10 30 AFEERN Cc1cccc(-c2cnccc2C#N)c1 238524419 572756010 /nfs/dbraw/zinc/75/60/10/572756010.db2.gz MLGJTDINNITAOS-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN C=C1C[C@@H]2C[C@@H](C)C[C@H](C1)C2=O 306746217 572756081 /nfs/dbraw/zinc/75/60/81/572756081.db2.gz DHVCKNCDLYHUOH-OWUUHHOZSA-N 0 0 164.248 2.568 10 30 AFEERN CC[C@@H]1CCC[C@@H](OC[C@]2(C)CO2)C1 85501968 572756120 /nfs/dbraw/zinc/75/61/20/572756120.db2.gz LIBIBXQGXFKESK-IJLUTSLNSA-N 0 0 198.306 2.761 10 30 AFEERN C=C[C@@H]1C[C@@](C)(c2ccccc2)[C@@H]1O 306750631 572756141 /nfs/dbraw/zinc/75/61/41/572756141.db2.gz GRXHYXXUXQHLGG-RTXFEEFZSA-N 0 0 188.270 2.511 10 30 AFEERN CC[C@@H]1CCC[C@H](OC[C@]2(C)CO2)C1 85501966 572756146 /nfs/dbraw/zinc/75/61/46/572756146.db2.gz LIBIBXQGXFKESK-GRYCIOLGSA-N 0 0 198.306 2.761 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@H](O)[C@H]12 306795086 572756189 /nfs/dbraw/zinc/75/61/89/572756189.db2.gz GHCMMFKPYRLUSI-GARJFASQSA-N 0 0 166.264 2.504 10 30 AFEERN CC1=CC(=O)[C@@H]2CCC[C@@H]2CC=C1 308113552 572756245 /nfs/dbraw/zinc/75/62/45/572756245.db2.gz RIZGKWMCPAOUTJ-WDEREUQCSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@H](O)CCC[Si](C)(C)C 238523733 572756249 /nfs/dbraw/zinc/75/62/49/572756249.db2.gz HMYRYFYYEQRKGR-VIFPVBQESA-N 0 0 172.344 2.652 10 30 AFEERN C=CC[C@H](O)[C@H]1CCCC[C@@H]1C 306743257 572756257 /nfs/dbraw/zinc/75/62/57/572756257.db2.gz GYUZFBDMNGLVFM-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN CC1=CC(=O)[C@H]2CCC[C@@H]2CC=C1 308113551 572756268 /nfs/dbraw/zinc/75/62/68/572756268.db2.gz RIZGKWMCPAOUTJ-QWRGUYRKSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H](OC[C@@]1(C)CO1)c1ccccc1 85501731 572756302 /nfs/dbraw/zinc/75/63/02/572756302.db2.gz IXTTXFXEEYBQCL-PWSUYJOCSA-N 0 0 192.258 2.553 10 30 AFEERN Cc1c(C#N)cccc1[C@H]1CCC(=O)C1 238522118 572756336 /nfs/dbraw/zinc/75/63/36/572756336.db2.gz PTQXXZWHKVOVFS-JTQLQIEISA-N 0 0 199.253 2.703 10 30 AFEERN C=CCCOc1cccc(N)c1C 238523167 572756370 /nfs/dbraw/zinc/75/63/70/572756370.db2.gz GLFNQMCQGMEJRT-UHFFFAOYSA-N 0 0 177.247 2.532 10 30 AFEERN Cc1c(C#N)cccc1[C@@H]1CCC(=O)C1 238521546 572756468 /nfs/dbraw/zinc/75/64/68/572756468.db2.gz PTQXXZWHKVOVFS-SNVBAGLBSA-N 0 0 199.253 2.703 10 30 AFEERN C=C[C@@H]1C[C@@](C)(c2ccccc2)[C@H]1O 306750632 572756495 /nfs/dbraw/zinc/75/64/95/572756495.db2.gz GRXHYXXUXQHLGG-WXHSDQCUSA-N 0 0 188.270 2.511 10 30 AFEERN C=C1[C@H]2CC[C@H](C2)[C@]1(C)CC(C)=O 306750809 572756502 /nfs/dbraw/zinc/75/65/02/572756502.db2.gz MZYWMCDQJUAQQA-QJPTWQEYSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@H](C)C[C@@H](O)C(C)C 307921846 572758563 /nfs/dbraw/zinc/75/85/63/572758563.db2.gz MEFBAOMMGBVWRT-VHSXEESVSA-N 0 0 156.269 2.606 10 30 AFEERN Cc1c(C#N)cccc1[C@H]1CCCC1=O 238522127 572756633 /nfs/dbraw/zinc/75/66/33/572756633.db2.gz MTINVIMRFSVDRJ-GFCCVEGCSA-N 0 0 199.253 2.703 10 30 AFEERN C=CC(C)(C)C/C=C(\C)CO 307911460 572756651 /nfs/dbraw/zinc/75/66/51/572756651.db2.gz IROOTZSCHDYANH-RMKNXTFCSA-N 0 0 154.253 2.527 10 30 AFEERN C=C[C@@H]1C(=C)C[C@@H]2[C@@H](O)CCC[C@@]21C 306721658 572756681 /nfs/dbraw/zinc/75/66/81/572756681.db2.gz DZBSGFTUJCKKLZ-FVCCEPFGSA-N 0 0 192.302 2.916 10 30 AFEERN C/C=C1\C(=O)[C@@H]2CCC[C@H]2C1(C)C 308112917 572756799 /nfs/dbraw/zinc/75/67/99/572756799.db2.gz PZBNFOARBQZUJH-CXQRGBQISA-N 0 0 178.275 2.958 10 30 AFEERN C=C1C[C@]23CCCC[C@@H]2CC(=O)[C@H]13 306777665 572756860 /nfs/dbraw/zinc/75/68/60/572756860.db2.gz OHLWXNZAVJHHRO-ADEWGFFLSA-N 0 0 176.259 2.712 10 30 AFEERN C=C[C@H]1C[C@H](C(C)(C)C)CC[C@H]1O 306792868 572756876 /nfs/dbraw/zinc/75/68/76/572756876.db2.gz DVTQXDSCVUQQMV-HBNTYKKESA-N 0 0 182.307 2.996 10 30 AFEERN C[C@@H]1[C@H](C=O)[C@@H]1CCc1ccccc1 238512727 572756988 /nfs/dbraw/zinc/75/69/88/572756988.db2.gz MNSYVGVBJOLOIC-UHTWSYAYSA-N 0 0 188.270 2.700 10 30 AFEERN C=CC[C@H](O)[C@@H]1CCCC[C@@H]1C 306743255 572757049 /nfs/dbraw/zinc/75/70/49/572757049.db2.gz GYUZFBDMNGLVFM-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C#CCCCC[C@@H](O)C=C(C)C 308113476 572757071 /nfs/dbraw/zinc/75/70/71/572757071.db2.gz LIJCRZUEPXAADT-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN C=C(C)[C@H]1Cc2ccccc2N1N=O 306702108 572757175 /nfs/dbraw/zinc/75/71/75/572757175.db2.gz LXVLNTNDLLZPJW-LLVKDONJSA-N 0 0 188.230 2.675 10 30 AFEERN CC1=CC(=O)[C@H]2CCC[C@H]2CC=C1 308113550 572757177 /nfs/dbraw/zinc/75/71/77/572757177.db2.gz RIZGKWMCPAOUTJ-MNOVXSKESA-N 0 0 176.259 2.878 10 30 AFEERN O=C[C@@H]1C[C@H]2CCCCCC=C[C@@H]12 308114013 572757206 /nfs/dbraw/zinc/75/72/06/572757206.db2.gz RVYBCRXAZLTIAD-GRYCIOLGSA-N 0 0 178.275 2.958 10 30 AFEERN C/C(=C/Cl)CN(CCC#N)C1CC1 308114162 572757260 /nfs/dbraw/zinc/75/72/60/572757260.db2.gz UGWDCEPISQLZIS-CLFYSBASSA-N 0 0 198.697 2.507 10 30 AFEERN C=C[C@@H]1C[C@](C)(c2ccccc2)[C@@H]1O 306750630 572757349 /nfs/dbraw/zinc/75/73/49/572757349.db2.gz GRXHYXXUXQHLGG-RAIGVLPGSA-N 0 0 188.270 2.511 10 30 AFEERN Cc1cc([C@H]2CCCC2=O)ccc1C#N 238522001 572757366 /nfs/dbraw/zinc/75/73/66/572757366.db2.gz JXIINCIAMNLSFE-GFCCVEGCSA-N 0 0 199.253 2.703 10 30 AFEERN O=C[C@@H]1C[C@@H]2CCCCCC=C[C@H]21 308114014 572757472 /nfs/dbraw/zinc/75/74/72/572757472.db2.gz RVYBCRXAZLTIAD-SDDRHHMPSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@]1(CSCC2CCCC2)CO1 85502171 572757642 /nfs/dbraw/zinc/75/76/42/572757642.db2.gz LVNRUXYFGAODSW-SNVBAGLBSA-N 0 0 186.320 2.699 10 30 AFEERN Cc1c(C#N)cccc1[C@@H]1CCCC1=O 238521584 572757646 /nfs/dbraw/zinc/75/76/46/572757646.db2.gz MTINVIMRFSVDRJ-LBPRGKRZSA-N 0 0 199.253 2.703 10 30 AFEERN C=C(C)/C=C(\C)NC(=O)OC(C)(C)C 306772941 572757826 /nfs/dbraw/zinc/75/78/26/572757826.db2.gz IACCBPLWVGUEQY-VQHVLOKHSA-N 0 0 197.278 2.991 10 30 AFEERN C=C(C)CCNc1cccc(N)c1 306780414 572757833 /nfs/dbraw/zinc/75/78/33/572757833.db2.gz DPSZEVFBLYXAKQ-UHFFFAOYSA-N 0 0 176.263 2.647 10 30 AFEERN CC(=O)/C=C/CCCc1ccco1 308116063 572758059 /nfs/dbraw/zinc/75/80/59/572758059.db2.gz VMWPJCAAUABNRL-ZZXKWVIFSA-N 0 0 178.231 2.748 10 30 AFEERN C=C[C@H](O)C1(OC)CCC(C)(C)CC1 307639151 572758266 /nfs/dbraw/zinc/75/82/66/572758266.db2.gz ZPGMYXZQNDBVBF-JTQLQIEISA-N 0 0 198.306 2.519 10 30 AFEERN C=CCc1ccccc1OC=C 85503547 572758421 /nfs/dbraw/zinc/75/84/21/572758421.db2.gz FOXJYPOUADEIPQ-UHFFFAOYSA-N 0 0 160.216 2.937 10 30 AFEERN CCCCNN=C(C)CCC 307922316 572758454 /nfs/dbraw/zinc/75/84/54/572758454.db2.gz MNZBGDQBGLNKSR-UHFFFAOYSA-N 0 0 156.273 2.552 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CC(C)C 308115892 572758470 /nfs/dbraw/zinc/75/84/70/572758470.db2.gz MMWSMRMJJUMWSS-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@H](C)Oc1ccc(C)cc1C=O 70955415 572758603 /nfs/dbraw/zinc/75/86/03/572758603.db2.gz PLXSOHCWTJFBFI-JTQLQIEISA-N 0 0 190.242 2.761 10 30 AFEERN CC/C(=C\C(C)=O)c1ccco1 307923076 572758720 /nfs/dbraw/zinc/75/87/20/572758720.db2.gz LIMZVOSZXRNDOG-VQHVLOKHSA-N 0 0 164.204 2.662 10 30 AFEERN C=CC[C@@H](C)C[C@@H](O)C(C)C 307921839 572758894 /nfs/dbraw/zinc/75/88/94/572758894.db2.gz MEFBAOMMGBVWRT-NXEZZACHSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@@H]1C(=C)C[C@@H]2[C@@H](O)CCC[C@]21C 306721660 572758918 /nfs/dbraw/zinc/75/89/18/572758918.db2.gz DZBSGFTUJCKKLZ-NDBYEHHHSA-N 0 0 192.302 2.916 10 30 AFEERN C=C[C@@H](O)C1(OC)CCC(C)(C)CC1 307639152 572758968 /nfs/dbraw/zinc/75/89/68/572758968.db2.gz ZPGMYXZQNDBVBF-SNVBAGLBSA-N 0 0 198.306 2.519 10 30 AFEERN C=CC[C@H](O)CC1(CC)CCC1 308116273 572759018 /nfs/dbraw/zinc/75/90/18/572759018.db2.gz MQCJSAQKCFBWHW-JTQLQIEISA-N 0 0 168.280 2.894 10 30 AFEERN C[C@@]1(CSCc2ccccc2)CO1 85502012 572759068 /nfs/dbraw/zinc/75/90/68/572759068.db2.gz VGLJSHQVXMNSGV-NSHDSACASA-N 0 0 194.299 2.709 10 30 AFEERN C#CCCSc1cccc(C=O)c1 85536507 572759255 /nfs/dbraw/zinc/75/92/55/572759255.db2.gz MDEHJNNOVJMGSP-UHFFFAOYSA-N 0 0 190.267 2.615 10 30 AFEERN C=CC[C@@H](O)CC1(CC)CCC1 308116274 572759290 /nfs/dbraw/zinc/75/92/90/572759290.db2.gz MQCJSAQKCFBWHW-SNVBAGLBSA-N 0 0 168.280 2.894 10 30 AFEERN C[C@@H](C=O)C/C=C/c1ccco1 307911729 572759294 /nfs/dbraw/zinc/75/92/94/572759294.db2.gz IPXSOCSJYGYIFN-OSOUNJMWSA-N 0 0 164.204 2.518 10 30 AFEERN CC/C=C\C(=O)CCCCF 307923180 572759427 /nfs/dbraw/zinc/75/94/27/572759427.db2.gz NJHYREXUGUAFMY-UTCJRWHESA-N 0 0 158.216 2.662 10 30 AFEERN C=C[C@@H]1[C@@H](C(=C)C)C=CC(C)(C)[C@@H]1O 306785335 572759456 /nfs/dbraw/zinc/75/94/56/572759456.db2.gz NKNPFEJVMJQHAS-IJLUTSLNSA-N 0 0 192.302 2.938 10 30 AFEERN Cc1cccc(-c2ncc(CC#N)o2)c1 238525718 572759847 /nfs/dbraw/zinc/75/98/47/572759847.db2.gz HRGRVPLRTGRKDO-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN C1CCC(SCCC[C@@H]2CO2)C1 308116348 572760210 /nfs/dbraw/zinc/76/02/10/572760210.db2.gz MRARGHXDTDQOFV-SECBINFHSA-N 0 0 186.320 2.841 10 30 AFEERN C[C@@]1(CSCC2CCCC2)CO1 85502172 572759924 /nfs/dbraw/zinc/75/99/24/572759924.db2.gz LVNRUXYFGAODSW-JTQLQIEISA-N 0 0 186.320 2.699 10 30 AFEERN C=CCC[C@]1(O)CCCc2occc21 306786153 572760020 /nfs/dbraw/zinc/76/00/20/572760020.db2.gz UPSFDNCPKOFJGZ-LBPRGKRZSA-N 0 0 192.258 2.770 10 30 AFEERN C[C@]1(CSCc2ccccc2)CO1 85502011 572760567 /nfs/dbraw/zinc/76/05/67/572760567.db2.gz VGLJSHQVXMNSGV-LLVKDONJSA-N 0 0 194.299 2.709 10 30 AFEERN CC#CCCC(=O)C1(CC)CC1 308115958 572760630 /nfs/dbraw/zinc/76/06/30/572760630.db2.gz MODSMNVMOVTFPY-UHFFFAOYSA-N 0 0 164.248 2.549 10 30 AFEERN C=C[C@@H](C)Nc1cc(C)c(F)cc1N 235257680 572760676 /nfs/dbraw/zinc/76/06/76/572760676.db2.gz NEQLVFKEWRQVDV-MRVPVSSYSA-N 0 0 194.253 2.703 10 30 AFEERN C=C[C@]1(C)[C@H](C)[C@H](O)[C@]2(C)CCC[C@@H]12 306703552 572760682 /nfs/dbraw/zinc/76/06/82/572760682.db2.gz GUVQAXPPHWKTIM-KSSYENDESA-N 0 0 194.318 2.996 10 30 AFEERN C[C@H](C=O)C/C=C/c1ccco1 307911728 572760688 /nfs/dbraw/zinc/76/06/88/572760688.db2.gz IPXSOCSJYGYIFN-MAHOQKISSA-N 0 0 164.204 2.518 10 30 AFEERN N#CCCCCNc1ccsc1 85534555 572760713 /nfs/dbraw/zinc/76/07/13/572760713.db2.gz UHISUFBMACJNTP-UHFFFAOYSA-N 0 0 180.276 2.854 10 30 AFEERN CC/C=C/C(=O)CCCCF 307923182 572760809 /nfs/dbraw/zinc/76/08/09/572760809.db2.gz NJHYREXUGUAFMY-ZZXKWVIFSA-N 0 0 158.216 2.662 10 30 AFEERN C#CCCCSCCCCF 307912012 572760933 /nfs/dbraw/zinc/76/09/33/572760933.db2.gz XHZMLSHJZUKTLP-UHFFFAOYSA-N 0 0 174.284 2.883 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CC(C)C 308115884 572761245 /nfs/dbraw/zinc/76/12/45/572761245.db2.gz MMWSMRMJJUMWSS-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN CCCC#C/C=C/[C@H](C)CC=O 307913976 572761376 /nfs/dbraw/zinc/76/13/76/572761376.db2.gz RJWGXONEPKCJSS-AEZGRPFRSA-N 0 0 164.248 2.571 10 30 AFEERN C=CCCSc1cccc(CO)c1 85537302 572761522 /nfs/dbraw/zinc/76/15/22/572761522.db2.gz KBTYZSZBGRIWDR-UHFFFAOYSA-N 0 0 194.299 2.847 10 30 AFEERN CCC(CC)=NO[C@H](C)CC 307914370 572761539 /nfs/dbraw/zinc/76/15/39/572761539.db2.gz AWFSURCUUNCGDR-MRVPVSSYSA-N 0 0 157.257 2.978 10 30 AFEERN CC(C)(C=O)CC/C=C/C1CC1 307913938 572761587 /nfs/dbraw/zinc/76/15/87/572761587.db2.gz QXMSZJQEFOTJHV-HWKANZROSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H](C)Sc1cccc(CO)c1 85537426 572761608 /nfs/dbraw/zinc/76/16/08/572761608.db2.gz IGFYVYWKYXRFLC-SECBINFHSA-N 0 0 194.299 2.846 10 30 AFEERN CC/C=C\CC#CCCCC=O 307913597 572761801 /nfs/dbraw/zinc/76/18/01/572761801.db2.gz PQFREFANSLKCPT-ARJAWSKDSA-N 0 0 164.248 2.715 10 30 AFEERN C=CC[C@H](C)C[C@H](O)C(C)C 307913810 572761868 /nfs/dbraw/zinc/76/18/68/572761868.db2.gz MEFBAOMMGBVWRT-UWVGGRQHSA-N 0 0 156.269 2.606 10 30 AFEERN C=CCCCCC[C@H](NN)C1CCC1 236220186 572762082 /nfs/dbraw/zinc/76/20/82/572762082.db2.gz MDTWKYMNMYRREX-LBPRGKRZSA-N 0 0 196.338 2.755 10 30 AFEERN CCC/C=C/C(=O)c1ccco1 307913036 572763529 /nfs/dbraw/zinc/76/35/29/572763529.db2.gz NIJANFLHKYYLIX-GQCTYLIASA-N 0 0 164.204 2.819 10 30 AFEERN CC/C=C/CC#CCCCC=O 307913598 572762477 /nfs/dbraw/zinc/76/24/77/572762477.db2.gz PQFREFANSLKCPT-ONEGZZNKSA-N 0 0 164.248 2.715 10 30 AFEERN CC[C@@H](C)ON=CC1(C)CC1 307912385 572762582 /nfs/dbraw/zinc/76/25/82/572762582.db2.gz XRSAFOQSBCEIPU-MRVPVSSYSA-N 0 0 155.241 2.587 10 30 AFEERN CCCCC=NO[C@H](C)CC 307914064 572762533 /nfs/dbraw/zinc/76/25/33/572762533.db2.gz AOKHXDSNDUYBFY-SECBINFHSA-N 0 0 157.257 2.978 10 30 AFEERN C=CC[P@](=O)(CC=O)OCC 307913835 572762717 /nfs/dbraw/zinc/76/27/17/572762717.db2.gz MJFGZHWQJVAKHO-JPVGGKMYSA-N 0 0 176.152 2.516 10 30 AFEERN C/C=C\CCCC#CCCC=O 307913668 572762723 /nfs/dbraw/zinc/76/27/23/572762723.db2.gz QSVCMRBPGYMNLP-IHWYPQMZSA-N 0 0 164.248 2.715 10 30 AFEERN C[C@H](C#N)OCCCC(C)(C)C 308120819 572762907 /nfs/dbraw/zinc/76/29/07/572762907.db2.gz POJWFFMJISWFAB-SECBINFHSA-N 0 0 169.268 2.741 10 30 AFEERN C/C(=C/CC(C)(C)C=O)C1CC1 307912596 572763035 /nfs/dbraw/zinc/76/30/35/572763035.db2.gz LGJOPSYFBPYXSC-TWGQIWQCSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=C(C(C)C)C(=O)[C@@H](C)C1 141543058 572773292 /nfs/dbraw/zinc/77/32/92/572773292.db2.gz NKCAQGUEDQMIBI-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C#C/C=C\CCCCCC(C)=O 307914897 572763050 /nfs/dbraw/zinc/76/30/50/572763050.db2.gz VKNSZAFCILDRPJ-PLNGDYQASA-N 0 0 164.248 2.715 10 30 AFEERN CCCC#C/C=C/[C@@H](C)CC=O 307913977 572763710 /nfs/dbraw/zinc/76/37/10/572763710.db2.gz RJWGXONEPKCJSS-WSKFYRRCSA-N 0 0 164.248 2.571 10 30 AFEERN CCCCC=NO[C@@H](C)CC 307914065 572763453 /nfs/dbraw/zinc/76/34/53/572763453.db2.gz AOKHXDSNDUYBFY-VIFPVBQESA-N 0 0 157.257 2.978 10 30 AFEERN CCC(CC)=NO[C@@H](C)CC 307914373 572763564 /nfs/dbraw/zinc/76/35/64/572763564.db2.gz AWFSURCUUNCGDR-QMMMGPOBSA-N 0 0 157.257 2.978 10 30 AFEERN C=CC[P@@](=O)(CC=O)OCC 307913836 572763603 /nfs/dbraw/zinc/76/36/03/572763603.db2.gz MJFGZHWQJVAKHO-XOIDGJRKSA-N 0 0 176.152 2.516 10 30 AFEERN CCCC[C@H](O)[C@H](C#N)CCCC 308120877 572763793 /nfs/dbraw/zinc/76/37/93/572763793.db2.gz IAMAQDPIVXFPNQ-QWRGUYRKSA-N 0 0 183.295 2.867 10 30 AFEERN C=C[C@H](C)Sc1cccc(CO)c1 85537425 572763796 /nfs/dbraw/zinc/76/37/96/572763796.db2.gz IGFYVYWKYXRFLC-VIFPVBQESA-N 0 0 194.299 2.846 10 30 AFEERN CC#C[C@@H](O)C[C@H](C)c1ccccc1 306788812 572763807 /nfs/dbraw/zinc/76/38/07/572763807.db2.gz PANYYGSWDITVCG-WCQYABFASA-N 0 0 188.270 2.564 10 30 AFEERN C/C(=C\CC(C)(C)C=O)C1CC1 307912595 572763886 /nfs/dbraw/zinc/76/38/86/572763886.db2.gz LGJOPSYFBPYXSC-RMKNXTFCSA-N 0 0 166.264 2.958 10 30 AFEERN CCC/C=C/C=C/C(=O)C1CC1 307914608 572763944 /nfs/dbraw/zinc/76/39/44/572763944.db2.gz UIPLGSIZQXISPK-YTXTXJHMSA-N 0 0 164.248 2.878 10 30 AFEERN C#CCSCC1(CC#C)CCC1 308121555 572763985 /nfs/dbraw/zinc/76/39/85/572763985.db2.gz QMTRXEBZENIFED-UHFFFAOYSA-N 0 0 178.300 2.546 10 30 AFEERN CCCCC(CCC)=NOC 307913752 572764252 /nfs/dbraw/zinc/76/42/52/572764252.db2.gz ZXDDXEJVNPXIEO-UHFFFAOYSA-N 0 0 157.257 2.979 10 30 AFEERN CC[C@H](C)ON=CC1(C)CC1 307912386 572764289 /nfs/dbraw/zinc/76/42/89/572764289.db2.gz XRSAFOQSBCEIPU-QMMMGPOBSA-N 0 0 155.241 2.587 10 30 AFEERN C[C@@H](C#N)OCCCC(C)(C)C 308120823 572764400 /nfs/dbraw/zinc/76/44/00/572764400.db2.gz POJWFFMJISWFAB-VIFPVBQESA-N 0 0 169.268 2.741 10 30 AFEERN C/C=C/C(=O)C1=CC=CC=CC=C1 308111890 572764582 /nfs/dbraw/zinc/76/45/82/572764582.db2.gz PGSQPILCHHEMBX-FHYYSTKRSA-N 0 0 172.227 2.740 10 30 AFEERN C=C(Br)COC(C)(C)C 221571976 572764606 /nfs/dbraw/zinc/76/46/06/572764606.db2.gz CHIGPQUARKDVAD-UHFFFAOYSA-N 0 0 193.084 2.710 10 30 AFEERN Cc1cc(C#N)cc(N[C@@H](C)CC#N)c1 308121597 572764759 /nfs/dbraw/zinc/76/47/59/572764759.db2.gz KXNMPTFBMMBZHC-JTQLQIEISA-N 0 0 199.257 2.581 10 30 AFEERN CCCC[C@@H](C)C(C)=NOC 307917356 572764799 /nfs/dbraw/zinc/76/47/99/572764799.db2.gz BRESODXZPLKFJV-MRVPVSSYSA-N 0 0 157.257 2.835 10 30 AFEERN N#CCCC/C=C/CCCC=O 307916456 572765252 /nfs/dbraw/zinc/76/52/52/572765252.db2.gz NBFVLQKXNDQFKF-OWOJBTEDSA-N 0 0 165.236 2.606 10 30 AFEERN C=CCC/C(C)=C/C[C@@H](C)O 307916614 572765520 /nfs/dbraw/zinc/76/55/20/572765520.db2.gz XPDBUAKLUOGQKX-TTZKWOQHSA-N 0 0 154.253 2.670 10 30 AFEERN C=C(C/C=C\CO)c1ccccc1 308122521 572765653 /nfs/dbraw/zinc/76/56/53/572765653.db2.gz OZVZALYOAZDCRM-WAYWQWQTSA-N 0 0 174.243 2.638 10 30 AFEERN C=CCC/C(C)=C/C[C@H](C)O 307916613 572765876 /nfs/dbraw/zinc/76/58/76/572765876.db2.gz XPDBUAKLUOGQKX-PCYYEKQGSA-N 0 0 154.253 2.670 10 30 AFEERN CC[C@@H](C)ON=C(C)C(C)C 307918118 572765929 /nfs/dbraw/zinc/76/59/29/572765929.db2.gz DJZFLJWJGYJGTQ-MRVPVSSYSA-N 0 0 157.257 2.833 10 30 AFEERN CC#CCC[C@@](C)(O)[C@@H]1CC1(C)C 306767042 572766089 /nfs/dbraw/zinc/76/60/89/572766089.db2.gz CCRFVORSLONVML-ZYHUDNBSSA-N 0 0 180.291 2.587 10 30 AFEERN CC#C[C@H](O)C[C@H](C)c1ccccc1 306788810 572766112 /nfs/dbraw/zinc/76/61/12/572766112.db2.gz PANYYGSWDITVCG-AAEUAGOBSA-N 0 0 188.270 2.564 10 30 AFEERN CC#CC[C@@H](CO)C/C=C\C(C)C 308121871 572766263 /nfs/dbraw/zinc/76/62/63/572766263.db2.gz MHBHCEJANASTCZ-ZHRWSRJISA-N 0 0 180.291 2.611 10 30 AFEERN C=C[C@@H]1[C@H](C(=C)C)C=CC(C)(C)[C@@H]1O 306785334 572766274 /nfs/dbraw/zinc/76/62/74/572766274.db2.gz NKNPFEJVMJQHAS-GRYCIOLGSA-N 0 0 192.302 2.938 10 30 AFEERN CCCCC[C@@H](C)/C=C\C#CCO 308122502 572766304 /nfs/dbraw/zinc/76/63/04/572766304.db2.gz ORVRVJPRSUNMKN-MQGYJPLLSA-N 0 0 180.291 2.755 10 30 AFEERN C=C(Cl)[C@@H](O)/C=C\c1ccccc1 308122971 572766550 /nfs/dbraw/zinc/76/65/50/572766550.db2.gz QEJIQXPBILLLPB-TVRMLOFPSA-N 0 0 194.661 2.813 10 30 AFEERN C=C[C@H](O)[C@@]1(C)CC[C@@H](C)C1(C)C 306789342 572766621 /nfs/dbraw/zinc/76/66/21/572766621.db2.gz SWMTZWAGCPRYJX-JFGNBEQYSA-N 0 0 182.307 2.996 10 30 AFEERN CCCCC[C@H](C)/C=C\C#CCO 308122503 572766762 /nfs/dbraw/zinc/76/67/62/572766762.db2.gz ORVRVJPRSUNMKN-UMAGTOLTSA-N 0 0 180.291 2.755 10 30 AFEERN CCCC[C@H](C)C(C)=NOC 307917358 572766844 /nfs/dbraw/zinc/76/68/44/572766844.db2.gz BRESODXZPLKFJV-QMMMGPOBSA-N 0 0 157.257 2.835 10 30 AFEERN C/C=C\C[C@H](O)C#CCCCCC 308123354 572766924 /nfs/dbraw/zinc/76/69/24/572766924.db2.gz RYDKFQIXYPCEJR-RNZFLTOJSA-N 0 0 180.291 2.897 10 30 AFEERN C/C=C\C[C@@H](O)C#CCCCCC 308123355 572766974 /nfs/dbraw/zinc/76/69/74/572766974.db2.gz RYDKFQIXYPCEJR-TXNVCOODSA-N 0 0 180.291 2.897 10 30 AFEERN C=C[C@H](C)Nc1ccsc1[N+](=O)[O-] 307729066 572767526 /nfs/dbraw/zinc/76/75/26/572767526.db2.gz GRYAWEDEMQYHKP-LURJTMIESA-N 0 0 198.247 2.643 10 30 AFEERN C=CC/C(=C\CO)c1ccccc1 308122518 572767607 /nfs/dbraw/zinc/76/76/07/572767607.db2.gz OZBVRZVSUFUTSE-PKNBQFBNSA-N 0 0 174.243 2.638 10 30 AFEERN C=C(C)c1ccccc1/C=C\CO 308122774 572767679 /nfs/dbraw/zinc/76/76/79/572767679.db2.gz PPWDXMQQRNDPKS-ALCCZGGFSA-N 0 0 174.243 2.725 10 30 AFEERN C=CC/C=C/C[C@](C)(C=C)C=O 307919005 572768260 /nfs/dbraw/zinc/76/82/60/572768260.db2.gz XGABACUBQVUXTF-AEZGRPFRSA-N 0 0 164.248 2.900 10 30 AFEERN C=C(Cl)[C@H](O)/C=C\c1ccccc1 308122970 572767976 /nfs/dbraw/zinc/76/79/76/572767976.db2.gz QEJIQXPBILLLPB-SKVAFPRGSA-N 0 0 194.661 2.813 10 30 AFEERN C=C[C@H](CC)[C@H](O)CC(C)C 307919866 572769271 /nfs/dbraw/zinc/76/92/71/572769271.db2.gz HPFBEGSXBLLOMP-NXEZZACHSA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@H](C)C[C@H](O)/C(C)=C/C 307919377 572768064 /nfs/dbraw/zinc/76/80/64/572768064.db2.gz GTEBFRIDFXESLN-FMZBDOAWSA-N 0 0 154.253 2.526 10 30 AFEERN CCCCC=NOCCSC 307918299 572768106 /nfs/dbraw/zinc/76/81/06/572768106.db2.gz DLLBQTYSDHTCAD-UHFFFAOYSA-N 0 0 175.297 2.542 10 30 AFEERN Cc1cc(C#N)cc(NCCCC#N)c1 308123151 572768157 /nfs/dbraw/zinc/76/81/57/572768157.db2.gz RDRXEXVEJXQYAS-UHFFFAOYSA-N 0 0 199.257 2.582 10 30 AFEERN CC#CC[C@H](CO)C/C=C\C(C)C 308121869 572768224 /nfs/dbraw/zinc/76/82/24/572768224.db2.gz MHBHCEJANASTCZ-DGMVEKRQSA-N 0 0 180.291 2.611 10 30 AFEERN O=C(CCCCF)C1=CCCC1 308121708 572768342 /nfs/dbraw/zinc/76/83/42/572768342.db2.gz QPQMRXJHZDNMMB-UHFFFAOYSA-N 0 0 170.227 2.806 10 30 AFEERN CCC[C@H](C)C(CC)=NOC 307919359 572769459 /nfs/dbraw/zinc/76/94/59/572769459.db2.gz GRUDMUMWZCRVIR-QMMMGPOBSA-N 0 0 157.257 2.835 10 30 AFEERN CC(C)=CC(=O)CCCCF 307918888 572768391 /nfs/dbraw/zinc/76/83/91/572768391.db2.gz FSUBAAADPPWNIS-UHFFFAOYSA-N 0 0 158.216 2.662 10 30 AFEERN CC#CC[C@@H](CO)C/C=C/C(C)C 308121870 572768429 /nfs/dbraw/zinc/76/84/29/572768429.db2.gz MHBHCEJANASTCZ-NNNHXZLVSA-N 0 0 180.291 2.611 10 30 AFEERN C=C[C@@H](CC)[C@H](O)CC(C)C 307919868 572768492 /nfs/dbraw/zinc/76/84/92/572768492.db2.gz HPFBEGSXBLLOMP-VHSXEESVSA-N 0 0 156.269 2.606 10 30 AFEERN CC(C)[C@H]1CCC1=NNC(C)(C)C 393483596 572768571 /nfs/dbraw/zinc/76/85/71/572768571.db2.gz RUPLRAURTCTKIE-SECBINFHSA-N 0 0 182.311 2.797 10 30 AFEERN C=C[C@H](CC)[C@@H](O)CC(C)C 307919869 572768646 /nfs/dbraw/zinc/76/86/46/572768646.db2.gz HPFBEGSXBLLOMP-ZJUUUORDSA-N 0 0 156.269 2.606 10 30 AFEERN C=CCC[C@@]1(O)CCCc2occc21 306786152 572769149 /nfs/dbraw/zinc/76/91/49/572769149.db2.gz UPSFDNCPKOFJGZ-GFCCVEGCSA-N 0 0 192.258 2.770 10 30 AFEERN CC(C)C=NN[C@H](C)C(C)(C)C 308123521 572769218 /nfs/dbraw/zinc/76/92/18/572769218.db2.gz SQYIDDZWNQMQNY-SECBINFHSA-N 0 0 170.300 2.652 10 30 AFEERN C=C(C)[C@@H](O)CC/C(C)=C\CC#N 308123396 572769442 /nfs/dbraw/zinc/76/94/42/572769442.db2.gz SFHDUGFQKUVGTB-VQNWOSHQSA-N 0 0 179.263 2.564 10 30 AFEERN CC1(C)CC(O)=C(C=O)C(C)(C)C1 308123659 572769299 /nfs/dbraw/zinc/76/92/99/572769299.db2.gz SXLARBHSRUVTLT-VURMDHGXSA-N 0 0 182.263 2.844 10 30 AFEERN C=C(C)[C@H](O)CC/C(C)=C\CC#N 308123395 572769348 /nfs/dbraw/zinc/76/93/48/572769348.db2.gz SFHDUGFQKUVGTB-GULOHRGCSA-N 0 0 179.263 2.564 10 30 AFEERN C#C[C@H](CC)Nc1cc(C)cc(C#N)c1 308123870 572769484 /nfs/dbraw/zinc/76/94/84/572769484.db2.gz UPBPUESXDDUADY-GFCCVEGCSA-N 0 0 198.269 2.690 10 30 AFEERN CC(C)[C@@H]1CCC1=NNC(C)(C)C 393483597 572769642 /nfs/dbraw/zinc/76/96/42/572769642.db2.gz RUPLRAURTCTKIE-VIFPVBQESA-N 0 0 182.311 2.797 10 30 AFEERN C=C1C[C@H](O)[C@@](C)(c2ccccc2)C1 306725005 572769687 /nfs/dbraw/zinc/76/96/87/572769687.db2.gz JVBKZZMULYIIRV-QWHCGFSZSA-N 0 0 188.270 2.655 10 30 AFEERN CCC[C@@H](C)C(CC)=NOC 307919358 572769837 /nfs/dbraw/zinc/76/98/37/572769837.db2.gz GRUDMUMWZCRVIR-MRVPVSSYSA-N 0 0 157.257 2.835 10 30 AFEERN C=C[C@H](C)[C@@H](O)C#CCCCCC 308126684 572770038 /nfs/dbraw/zinc/77/00/38/572770038.db2.gz BHWJDLGWLSHTNH-RYUDHWBXSA-N 0 0 180.291 2.753 10 30 AFEERN CCC(CC)=NOCC1CC1 307920020 572770082 /nfs/dbraw/zinc/77/00/82/572770082.db2.gz IEMPIBJNILXYCJ-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN CCCC=NOC1CCCC1 307918902 572770128 /nfs/dbraw/zinc/77/01/28/572770128.db2.gz FUEYHLZKUJBTSS-UHFFFAOYSA-N 0 0 155.241 2.732 10 30 AFEERN C=CC/C=C/C[C@@](C)(C=C)C=O 307919006 572770253 /nfs/dbraw/zinc/77/02/53/572770253.db2.gz XGABACUBQVUXTF-WSKFYRRCSA-N 0 0 164.248 2.900 10 30 AFEERN CC=CC(=O)Cc1cccc(C)c1 308125654 572770365 /nfs/dbraw/zinc/77/03/65/572770365.db2.gz CQDAPPNIWXZKOE-HYXAFXHYSA-N 0 0 174.243 2.683 10 30 AFEERN CCCC(C)=NOCCSC 307919098 572770370 /nfs/dbraw/zinc/77/03/70/572770370.db2.gz GGWSSFCOPCFMCW-UHFFFAOYSA-N 0 0 175.297 2.542 10 30 AFEERN C=CC[C@H](O)[C@@H]1[C@@H](C)C=CC[C@H]1C 307740879 572770630 /nfs/dbraw/zinc/77/06/30/572770630.db2.gz ICGTYFIZWSKIJG-WHOHXGKFSA-N 0 0 180.291 2.772 10 30 AFEERN CCCn1ccc(/C=C/C(C)=O)c1 85605547 572771680 /nfs/dbraw/zinc/77/16/80/572771680.db2.gz FRZCURHIIBUMLH-SNAWJCMRSA-N 0 0 177.247 2.500 10 30 AFEERN C=C[C@H](C)[C@H](/C=C/C=C\CO)CC 308126017 572771046 /nfs/dbraw/zinc/77/10/46/572771046.db2.gz AROSVLPQKROQTN-MGMGXJOXSA-N 0 0 180.291 2.939 10 30 AFEERN C=C[C@@H](C)[C@H](O)C#CCCCCC 308126685 572771292 /nfs/dbraw/zinc/77/12/92/572771292.db2.gz BHWJDLGWLSHTNH-VXGBXAGGSA-N 0 0 180.291 2.753 10 30 AFEERN C=CCCCc1ccc(C=O)o1 85595377 572771893 /nfs/dbraw/zinc/77/18/93/572771893.db2.gz OERGBMXZEBJLSQ-UHFFFAOYSA-N 0 0 164.204 2.601 10 30 AFEERN C=C[C@H](C)[C@@H](/C=C/C=C\CO)CC 308126015 572772234 /nfs/dbraw/zinc/77/22/34/572772234.db2.gz AROSVLPQKROQTN-KFWMSLBZSA-N 0 0 180.291 2.939 10 30 AFEERN C=CCCCCC[C@@H](CC1CC1)NN 236222427 572772315 /nfs/dbraw/zinc/77/23/15/572772315.db2.gz WHIIVCNENXLWDR-LBPRGKRZSA-N 0 0 196.338 2.755 10 30 AFEERN C#CCCC(=O)[C@@H]1CCCC[C@@H]1C 307756644 572772467 /nfs/dbraw/zinc/77/24/67/572772467.db2.gz IQLKOXJXXJGFFS-WDEREUQCSA-N 0 0 178.275 2.795 10 30 AFEERN C=C(C)O[C@@H](CC(C)C)[C@H](C)CO 308125967 572772707 /nfs/dbraw/zinc/77/27/07/572772707.db2.gz AMRLAQICGOUUMS-MNOVXSKESA-N 0 0 186.295 2.580 10 30 AFEERN C=C(C)[C@H](O)C1=CCCC=CCC1 308125912 572772822 /nfs/dbraw/zinc/77/28/22/572772822.db2.gz AJZBAAREZFSHSQ-LBPRGKRZSA-N 0 0 178.275 2.980 10 30 AFEERN C=CC[C@H](C)[C@@H](C)[NH2+]CC(=C)Cl 307928463 572774539 /nfs/dbraw/zinc/77/45/39/572774539.db2.gz AKCQIQYSUPDAMC-WCBMZHEXSA-N 0 0 187.714 2.929 10 30 AFEERN CC(C)CON=CCCC1CC1 307931048 572773512 /nfs/dbraw/zinc/77/35/12/572773512.db2.gz CHEFFOOLYQEBCB-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN C=C(Cl)C1CCC(CO)CC1 141549411 572773683 /nfs/dbraw/zinc/77/36/83/572773683.db2.gz ZHGAWDTXMKOXJE-UHFFFAOYSA-N 0 0 174.671 2.538 10 30 AFEERN C=CCC(/C=C\CO)(CC)CC 307931104 572773712 /nfs/dbraw/zinc/77/37/12/572773712.db2.gz AWWQZKYBBZDJGZ-CLFYSBASSA-N 0 0 168.280 2.917 10 30 AFEERN CCC(CC)COC/C=C\CS 307928356 572776006 /nfs/dbraw/zinc/77/60/06/572776006.db2.gz SYBDLWMTKUHTRW-WAYWQWQTSA-N 0 0 188.336 2.925 10 30 AFEERN CCOc1ccccc1/C=C\C(C)=O 205163803 572774060 /nfs/dbraw/zinc/77/40/60/572774060.db2.gz HFTNSIBQEZYVRT-HJWRWDBZSA-N 0 0 190.242 2.688 10 30 AFEERN CC[C@@](C)(C#N)C[C@H](O)C(C)(C)C 308127126 572774301 /nfs/dbraw/zinc/77/43/01/572774301.db2.gz CBULDJCPJRADNV-GXSJLCMTSA-N 0 0 183.295 2.723 10 30 AFEERN C=C1CC[C@H]2[C@H](O)[C@@H](C)CC[C@@]12C 306722146 572774469 /nfs/dbraw/zinc/77/44/69/572774469.db2.gz INBJHDCALHACIS-IXLVHKGHSA-N 0 0 180.291 2.750 10 30 AFEERN C=CC[C@H](C)[C@H](C)[NH2+]CC(=C)Cl 307928464 572774732 /nfs/dbraw/zinc/77/47/32/572774732.db2.gz AKCQIQYSUPDAMC-WPRPVWTQSA-N 0 0 187.714 2.929 10 30 AFEERN C=C(OCCC)[C@@H](O)/C(=C\C)CC 308127099 572774755 /nfs/dbraw/zinc/77/47/55/572774755.db2.gz BWBICNNJZKHSRD-SDKXAQGSSA-N 0 0 184.279 2.644 10 30 AFEERN C=CC[C@H](O)C#CCC1CCCC1 306717643 572774792 /nfs/dbraw/zinc/77/47/92/572774792.db2.gz VMHTWLWOFGSONA-LBPRGKRZSA-N 0 0 178.275 2.507 10 30 AFEERN CCCCC#Cc1ccccc1O 141561528 572775052 /nfs/dbraw/zinc/77/50/52/572775052.db2.gz WKKVYDGBHJLYRP-UHFFFAOYSA-N 0 0 174.243 2.934 10 30 AFEERN CSCCC=NOC1CCCC1 307928436 572775187 /nfs/dbraw/zinc/77/51/87/572775187.db2.gz BYICBISFOVHNDH-UHFFFAOYSA-N 0 0 187.308 2.685 10 30 AFEERN CCCn1cccc1/C=C/C(C)=O 85608273 572775200 /nfs/dbraw/zinc/77/52/00/572775200.db2.gz AJGDTNLLIHXGQW-VOTSOKGWSA-N 0 0 177.247 2.500 10 30 AFEERN C=C[C@@H]1C(=C)C[C@@H]2[C@H](O)CCC[C@@]21C 306721657 572776497 /nfs/dbraw/zinc/77/64/97/572776497.db2.gz DZBSGFTUJCKKLZ-FDYHWXHSSA-N 0 0 192.302 2.916 10 30 AFEERN C=CCCCCC[C@@H](CC=C)NN 236223020 572775747 /nfs/dbraw/zinc/77/57/47/572775747.db2.gz HMZXUAULACSOSA-LLVKDONJSA-N 0 0 182.311 2.531 10 30 AFEERN C=CC[C@@H](C)[C@H](C)[NH2+]CC(=C)Cl 307928460 572775893 /nfs/dbraw/zinc/77/58/93/572775893.db2.gz AKCQIQYSUPDAMC-SCZZXKLOSA-N 0 0 187.714 2.929 10 30 AFEERN CCCC(=O)C1=CC=CC=CC=C1 308118082 572775934 /nfs/dbraw/zinc/77/59/34/572775934.db2.gz YBQIRDZJIPHKHL-UHFFFAOYSA-N 0 0 174.243 2.964 10 30 AFEERN C=CCCC(C)N=NCC(C)C 307928451 572776856 /nfs/dbraw/zinc/77/68/56/572776856.db2.gz AKARVKMWIXBRFN-UHFFFAOYSA-N 0 0 168.284 2.574 10 30 AFEERN C=CC[C@@H](C)[C@@H](C)[NH2+]CC(=C)Cl 307928458 572775983 /nfs/dbraw/zinc/77/59/83/572775983.db2.gz AKCQIQYSUPDAMC-PSASIEDQSA-N 0 0 187.714 2.929 10 30 AFEERN C=C1[C@H]2C[C@H](O)[C@]1(C)CC[C@@H]2C(C)C 306740780 572776068 /nfs/dbraw/zinc/77/60/68/572776068.db2.gz CSZBCJPLOYLHAQ-FVCCEPFGSA-N 0 0 194.318 2.996 10 30 AFEERN CC=CC=CC(=O)C=C=CCCC 308117838 572776116 /nfs/dbraw/zinc/77/61/16/572776116.db2.gz XLRGYJCJXNLTQT-ONNLMXTPSA-N 0 0 176.259 2.881 10 30 AFEERN C=C1C[C@@H]2CC[C@H](C1)C[C@@H](O)C2 307723868 572776260 /nfs/dbraw/zinc/77/62/60/572776260.db2.gz WMNXNVWPZJFMLL-JGPRNRPPSA-N 0 0 166.264 2.504 10 30 AFEERN CON=CCCc1ccc(Cl)cc1 308118335 572776318 /nfs/dbraw/zinc/77/63/18/572776318.db2.gz BBVBQBHFRQPXHV-UHFFFAOYSA-N 0 0 197.665 2.905 10 30 AFEERN CCC/C=C/C(=O)c1ccccn1 308118078 572776367 /nfs/dbraw/zinc/77/63/67/572776367.db2.gz YASALDHRIRKDTN-XBXARRHUSA-N 0 0 175.231 2.621 10 30 AFEERN CCC[C@]1(CC)CC[C@@](C)(C=O)O1 308117950 572776607 /nfs/dbraw/zinc/77/66/07/572776607.db2.gz ASFXLNLDLBFJNL-WDEREUQCSA-N 0 0 184.279 2.703 10 30 AFEERN CCC[C@@]1(CC)CC[C@](C)(C=O)O1 308117948 572776660 /nfs/dbraw/zinc/77/66/60/572776660.db2.gz ASFXLNLDLBFJNL-MNOVXSKESA-N 0 0 184.279 2.703 10 30 AFEERN CC=C(CC)C(=O)Cc1cncs1 308118843 572776720 /nfs/dbraw/zinc/77/67/20/572776720.db2.gz BUIMTXJKWQZMNN-BAQGIRSFSA-N 0 0 195.287 2.611 10 30 AFEERN CCC[C@@]1(CC)CC[C@@](C)(C=O)O1 308117949 572777256 /nfs/dbraw/zinc/77/72/56/572777256.db2.gz ASFXLNLDLBFJNL-QWRGUYRKSA-N 0 0 184.279 2.703 10 30 AFEERN C=C/C=C\C/C=C\C[C@H](O)C=C 307930165 572777675 /nfs/dbraw/zinc/77/76/75/572777675.db2.gz AEYMOAMEIABNJU-ZYXADBLCSA-N 0 0 164.248 2.612 10 30 AFEERN C=C(Cl)C[N@H+]1CC[C@H](C)C[C@H]1C 306710061 572777910 /nfs/dbraw/zinc/77/79/10/572777910.db2.gz MLEQXTMOTAYFPB-WCBMZHEXSA-N 0 0 187.714 2.859 10 30 AFEERN C=C1[C@H]2C[C@@H](O)[C@]1(C)CC[C@@H]2C(C)C 306740779 572777923 /nfs/dbraw/zinc/77/79/23/572777923.db2.gz CSZBCJPLOYLHAQ-FDYHWXHSSA-N 0 0 194.318 2.996 10 30 AFEERN C=C[C@H](C)[C@H](O)CC/C=C\CC 307930249 572778141 /nfs/dbraw/zinc/77/81/41/572778141.db2.gz AITGKNFCGFLYES-QIAMSNJGSA-N 0 0 168.280 2.916 10 30 AFEERN C=C/C=C\C/C=C/C[C@H](O)C=C 307930158 572778215 /nfs/dbraw/zinc/77/82/15/572778215.db2.gz AEYMOAMEIABNJU-ZXMWCJDMSA-N 0 0 164.248 2.612 10 30 AFEERN C=CC[C@H](O)[C@H]1CCC=C[C@H]1C 307751564 572778657 /nfs/dbraw/zinc/77/86/57/572778657.db2.gz OJVKVNIREAMNGR-VWYCJHECSA-N 0 0 166.264 2.526 10 30 AFEERN C=CCC(=O)[C@@H](C)CC(C)C 307929707 572778832 /nfs/dbraw/zinc/77/88/32/572778832.db2.gz UYILJEFMSUAANW-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@@H](CC)[C@@H](O)C(CC)CC 307929573 572779026 /nfs/dbraw/zinc/77/90/26/572779026.db2.gz APOQLCUOCRVGLW-GXSJLCMTSA-N 0 0 170.296 2.996 10 30 AFEERN CCC=CC(=O)Cc1ccsc1 307930416 572779101 /nfs/dbraw/zinc/77/91/01/572779101.db2.gz BSHRCENXLRHJGI-ARJAWSKDSA-N 0 0 180.272 2.826 10 30 AFEERN CC/C=C\CC#CCCCCO 307930661 572779152 /nfs/dbraw/zinc/77/91/52/572779152.db2.gz AOGKTMYMZGQFEG-ARJAWSKDSA-N 0 0 166.264 2.509 10 30 AFEERN C=C[C@H](C)[C@@H](O)CC/C=C\CC 307930257 572779283 /nfs/dbraw/zinc/77/92/83/572779283.db2.gz AITGKNFCGFLYES-TWHAFNCTSA-N 0 0 168.280 2.916 10 30 AFEERN CC/C=C(/C#CC[C@@H](O)CC)CC 308120263 572779323 /nfs/dbraw/zinc/77/93/23/572779323.db2.gz FTWDLPLGJHAHFP-OBIHZWKSSA-N 0 0 180.291 2.897 10 30 AFEERN C#C[C@@H](O)CC/C=C\CCCC=C 308120335 572779510 /nfs/dbraw/zinc/77/95/10/572779510.db2.gz GKSJRUMVYFVWFL-JLVNDZCYSA-N 0 0 178.275 2.673 10 30 AFEERN C=C/C=C/C/C=C\C[C@H](O)C=C 307930153 572779701 /nfs/dbraw/zinc/77/97/01/572779701.db2.gz AEYMOAMEIABNJU-JAUYKLAJSA-N 0 0 164.248 2.612 10 30 AFEERN C#C[C@H](O)CC/C=C\CCCC=C 308120336 572779899 /nfs/dbraw/zinc/77/98/99/572779899.db2.gz GKSJRUMVYFVWFL-LAUAKBEESA-N 0 0 178.275 2.673 10 30 AFEERN CCC[C@@H](O)C=Nc1ccccc1 308119689 572779918 /nfs/dbraw/zinc/77/99/18/572779918.db2.gz DJUMAFMUXHTKGK-LLVKDONJSA-N 0 0 177.247 2.550 10 30 AFEERN C=CCC(=O)[C@H](C)CC(C)C 307929706 572780029 /nfs/dbraw/zinc/78/00/29/572780029.db2.gz UYILJEFMSUAANW-SECBINFHSA-N 0 0 154.253 2.814 10 30 AFEERN C=CCCCOC1CCC(CO)CC1 236483852 572780253 /nfs/dbraw/zinc/78/02/53/572780253.db2.gz YWFFNSFYASMMQT-UHFFFAOYSA-N 0 0 198.306 2.520 10 30 AFEERN CCC[C@H](O)C=Nc1ccccc1 308119691 572780723 /nfs/dbraw/zinc/78/07/23/572780723.db2.gz DJUMAFMUXHTKGK-NSHDSACASA-N 0 0 177.247 2.550 10 30 AFEERN [N-]=[N+]=Nc1ccc2c(c1)nc1n2CCC1 238539093 572781007 /nfs/dbraw/zinc/78/10/07/572781007.db2.gz OEUSFHOPRDNMTH-UHFFFAOYSA-N 0 0 199.217 2.924 10 30 AFEERN C=C1C(=C)[C@H]2O[C@@H]1/C(=C/Cl)C2=C 238539876 572781190 /nfs/dbraw/zinc/78/11/90/572781190.db2.gz GXAGZCXNRMHISK-PIOFTHJTSA-N 0 0 180.634 2.559 10 30 AFEERN N#CC/C=C1\NCCC2=C1CCCC2 238539702 572781240 /nfs/dbraw/zinc/78/12/40/572781240.db2.gz XTULPGOXBPJLRM-SDQBBNPISA-N 0 0 188.274 2.648 10 30 AFEERN Cc1cccc(-c2noc(C)c2C#N)c1 238526700 572781254 /nfs/dbraw/zinc/78/12/54/572781254.db2.gz YRRMXVVXAFOSFJ-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C=CCCC(=O)C1(O)CCCCCC1 236485059 572781585 /nfs/dbraw/zinc/78/15/85/572781585.db2.gz LRNLDTGYUXAMFU-UHFFFAOYSA-N 0 0 196.290 2.607 10 30 AFEERN O=CCCCSc1ccc(F)cc1 238534966 572781599 /nfs/dbraw/zinc/78/15/99/572781599.db2.gz CSBKAFHBYMLJJR-UHFFFAOYSA-N 0 0 198.262 2.897 10 30 AFEERN Cc1ccc(C#N)c([C@H]2CCC(=O)C2)c1 238529875 572781656 /nfs/dbraw/zinc/78/16/56/572781656.db2.gz ISAIBKPKXOXJML-JTQLQIEISA-N 0 0 199.253 2.703 10 30 AFEERN CC/C=C(/C#CC[C@H](O)CC)CC 308120262 572781683 /nfs/dbraw/zinc/78/16/83/572781683.db2.gz FTWDLPLGJHAHFP-JATZPVMKSA-N 0 0 180.291 2.897 10 30 AFEERN CC#C[C@@](O)(CCC)c1ccccc1 306816228 572781859 /nfs/dbraw/zinc/78/18/59/572781859.db2.gz IJWXIFVWDRIWAS-ZDUSSCGKSA-N 0 0 188.270 2.698 10 30 AFEERN C=C(C)CC(=O)c1cncc(Cl)c1 306755023 572781958 /nfs/dbraw/zinc/78/19/58/572781958.db2.gz OILLGGYKGFMSFC-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN Cc1ccc([C@H]2CCCC2=O)cc1C#N 238536731 572781991 /nfs/dbraw/zinc/78/19/91/572781991.db2.gz KVXSTNDDJIOCPO-GFCCVEGCSA-N 0 0 199.253 2.703 10 30 AFEERN C#CCCC(=O)[C@H]1CCCC[C@@H]1C 307756643 572781992 /nfs/dbraw/zinc/78/19/92/572781992.db2.gz IQLKOXJXXJGFFS-QWRGUYRKSA-N 0 0 178.275 2.795 10 30 AFEERN N#Cc1ccc2oc(=S)oc2c1 198444964 572782028 /nfs/dbraw/zinc/78/20/28/572782028.db2.gz ZRXHVSAISZJSOM-UHFFFAOYSA-N 0 0 177.184 2.627 10 30 AFEERN C=C(C)C1=C(C)[C@H](O)[C@@H]2[C@H](C1)C2(C)C 306725740 572782116 /nfs/dbraw/zinc/78/21/16/572782116.db2.gz LBBUBVAAVKLPNB-SRVKXCTJSA-N 0 0 192.302 2.916 10 30 AFEERN C=CCCOc1c(C)cccc1O 238535676 572782167 /nfs/dbraw/zinc/78/21/67/572782167.db2.gz RBIUQFCDILTNRK-UHFFFAOYSA-N 0 0 178.231 2.656 10 30 AFEERN C[C@]12CCC(=O)C=C1c1ccccc1N2 238540423 572782194 /nfs/dbraw/zinc/78/21/94/572782194.db2.gz LLTPHXDESXSCEQ-ZDUSSCGKSA-N 0 0 199.253 2.617 10 30 AFEERN C=C[C@H](O)[C@@H](C)[C@H]1CC=C(C)CC1 306856600 572782199 /nfs/dbraw/zinc/78/21/99/572782199.db2.gz XGYANCGRNWFBND-SRVKXCTJSA-N 0 0 180.291 2.916 10 30 AFEERN C=C(C)/C(=C/CC)[C@H](O)C(C)C 307932012 572782257 /nfs/dbraw/zinc/78/22/57/572782257.db2.gz DYLXTNRFTRLRDT-ZJRUKIMVSA-N 0 0 168.280 2.916 10 30 AFEERN CC[C@](C)(C#N)C[C@H]1CC[C@H](C)O1 299995852 572782431 /nfs/dbraw/zinc/78/24/31/572782431.db2.gz NHPUJMKJBMSBTD-AXFHLTTASA-N 0 0 181.279 2.884 10 30 AFEERN C=CC[C@]1(C)[C@@H](C)CCC[C@H]1O 306877463 572782746 /nfs/dbraw/zinc/78/27/46/572782746.db2.gz DPYOQGKSPAOVBJ-HBNTYKKESA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@]1(C)C(=O)[C@H]2CCCC[C@H]21 306871259 572782851 /nfs/dbraw/zinc/78/28/51/572782851.db2.gz WVJGONZMQVYPEY-IQJOONFLSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1[C@H]2C[C@@H](C[C@H]1C(C)=O)C2(C)C 307718673 572782878 /nfs/dbraw/zinc/78/28/78/572782878.db2.gz PKLXONRFOHZLLQ-GMTAPVOTSA-N 0 0 178.275 2.814 10 30 AFEERN C=C(C)[C@H]1CC[C@H](C)[C@H](CO)C1 306833240 572782928 /nfs/dbraw/zinc/78/29/28/572782928.db2.gz PQRLFAVXZWHPIU-DCAQKATOSA-N 0 0 168.280 2.607 10 30 AFEERN C=C1C[C@@H]2CCC(=O)[C@@H](C)[C@H]2C1 307712858 572783013 /nfs/dbraw/zinc/78/30/13/572783013.db2.gz YNCUBLHFDOJXNW-LPEHRKFASA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)(C)CCCOCCC#N 308129189 572783025 /nfs/dbraw/zinc/78/30/25/572783025.db2.gz WPFZYIJGWBULON-UHFFFAOYSA-N 0 0 169.268 2.743 10 30 AFEERN C=C[C@H](C=C(C)C)[C@H](O)C(C)C 307931955 572783103 /nfs/dbraw/zinc/78/31/03/572783103.db2.gz DNCCXLADPJKABH-GHMZBOCLSA-N 0 0 168.280 2.772 10 30 AFEERN [N-]=[N+]=Nc1ccc2nc3n(c2c1)CCC3 238539179 572783235 /nfs/dbraw/zinc/78/32/35/572783235.db2.gz NJUDIRNSGQXTBZ-UHFFFAOYSA-N 0 0 199.217 2.924 10 30 AFEERN C=C(C)[C@@](O)(CCC)C1CC1 307739725 572783241 /nfs/dbraw/zinc/78/32/41/572783241.db2.gz LTERRTWBDCEASX-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN CC[C@](C)(C#N)C[C@@H]1CC[C@H](C)O1 299995853 572783286 /nfs/dbraw/zinc/78/32/86/572783286.db2.gz NHPUJMKJBMSBTD-DCAQKATOSA-N 0 0 181.279 2.884 10 30 AFEERN C=C(C)/C(=C/CC)[C@@H](O)C(C)C 307932010 572783321 /nfs/dbraw/zinc/78/33/21/572783321.db2.gz DYLXTNRFTRLRDT-BRNRAETOSA-N 0 0 168.280 2.916 10 30 AFEERN C=CCSCc1ncc(C)s1 307748327 572783413 /nfs/dbraw/zinc/78/34/13/572783413.db2.gz AYELCPUOTIVWQA-UHFFFAOYSA-N 0 0 185.317 2.871 10 30 AFEERN C=C1C[C@@H]2[C@H](C[C@H]1[C@H](C)O)C2(C)C 307725883 572783513 /nfs/dbraw/zinc/78/35/13/572783513.db2.gz BRHCJBBLJXWECD-ZDCRXTMVSA-N 0 0 180.291 2.606 10 30 AFEERN Cc1ccc(C#N)c([C@H]2CCCC2=O)c1 238529906 572783616 /nfs/dbraw/zinc/78/36/16/572783616.db2.gz LAWKINBIPGGVJY-LLVKDONJSA-N 0 0 199.253 2.703 10 30 AFEERN c1ccc(CSCC[C@H]2CO2)cc1 308129484 572783642 /nfs/dbraw/zinc/78/36/42/572783642.db2.gz HGRVUVCXHLPECE-NSHDSACASA-N 0 0 194.299 2.709 10 30 AFEERN C=CCSc1ccc(F)cc1C=O 238534909 572783656 /nfs/dbraw/zinc/78/36/56/572783656.db2.gz RANJGBHECNFURV-UHFFFAOYSA-N 0 0 196.246 2.916 10 30 AFEERN Cc1ccc(C#N)c([C@@H]2CCC(=O)C2)c1 238529514 572783660 /nfs/dbraw/zinc/78/36/60/572783660.db2.gz ISAIBKPKXOXJML-SNVBAGLBSA-N 0 0 199.253 2.703 10 30 AFEERN C=C(C)[C@@]1(C)CC=C(C)[C@H](O)C1 306847914 572783734 /nfs/dbraw/zinc/78/37/34/572783734.db2.gz LWBYYAWBIHEEMY-MNOVXSKESA-N 0 0 166.264 2.670 10 30 AFEERN C=C1C[C@@H](O)[C@@](C)(c2ccccc2)C1 306725003 572783830 /nfs/dbraw/zinc/78/38/30/572783830.db2.gz JVBKZZMULYIIRV-CHWSQXEVSA-N 0 0 188.270 2.655 10 30 AFEERN Cc1ccc(C#N)c(C2(C#N)CCC2)c1 238528562 572783863 /nfs/dbraw/zinc/78/38/63/572783863.db2.gz QGIRDLIOOVZYGJ-UHFFFAOYSA-N 0 0 196.253 2.812 10 30 AFEERN Cc1ccc(C#N)c([C@@H]2CCCC2=O)c1 238529568 572784183 /nfs/dbraw/zinc/78/41/83/572784183.db2.gz LAWKINBIPGGVJY-NSHDSACASA-N 0 0 199.253 2.703 10 30 AFEERN CC(CCC(C)C)=NNCC1CC1 308129748 572784188 /nfs/dbraw/zinc/78/41/88/572784188.db2.gz ABCLWASCIMSAAQ-UHFFFAOYSA-N 0 0 182.311 2.798 10 30 AFEERN c1ccc(CSCC[C@@H]2CO2)cc1 308129483 572784194 /nfs/dbraw/zinc/78/41/94/572784194.db2.gz HGRVUVCXHLPECE-LLVKDONJSA-N 0 0 194.299 2.709 10 30 AFEERN C=C[C@]12CCCC[C@@H]1[C@@H](O)CCC2 306840983 572784201 /nfs/dbraw/zinc/78/42/01/572784201.db2.gz FDKLBOJSOFIFBI-GRYCIOLGSA-N 0 0 180.291 2.894 10 30 AFEERN C=C(C)[C@@]1(O)CC(C)(C)C[C@H]1C 235341297 572784204 /nfs/dbraw/zinc/78/42/04/572784204.db2.gz KZDXMUZMRCQCAC-KOLCDFICSA-N 0 0 168.280 2.750 10 30 AFEERN C=C[C@@H](C)Sc1nncn1C(C)C 308129779 572784236 /nfs/dbraw/zinc/78/42/36/572784236.db2.gz ACYMSGMJKMGAST-MRVPVSSYSA-N 0 0 197.307 2.526 10 30 AFEERN C=C(C)[C@]1(C)CC=C(C)[C@H](O)C1 306847913 572784310 /nfs/dbraw/zinc/78/43/10/572784310.db2.gz LWBYYAWBIHEEMY-GHMZBOCLSA-N 0 0 166.264 2.670 10 30 AFEERN C=C(C)/C=C(\CO)c1ccccc1 308120537 572784311 /nfs/dbraw/zinc/78/43/11/572784311.db2.gz HGIZSSUHFQENRO-XYOKQWHBSA-N 0 0 174.243 2.638 10 30 AFEERN C=C[C@@H](C)Sc1nc(C)c(C)o1 307701531 572784666 /nfs/dbraw/zinc/78/46/66/572784666.db2.gz SAKWENSWRAKSIU-ZCFIWIBFSA-N 0 0 183.276 2.958 10 30 AFEERN C=C[C@H](C)Sc1nncn1C(C)C 308129780 572784806 /nfs/dbraw/zinc/78/48/06/572784806.db2.gz ACYMSGMJKMGAST-QMMMGPOBSA-N 0 0 197.307 2.526 10 30 AFEERN C=C1[C@H]2C[C@@H](C[C@H]1[C@@H](C)O)C2(C)C 307725460 572784837 /nfs/dbraw/zinc/78/48/37/572784837.db2.gz BSPVWSPJSKKIPK-GWOFURMSSA-N 0 0 180.291 2.606 10 30 AFEERN CC#C/C(C)=C/[C@@H](O)CCCC 307932098 572785021 /nfs/dbraw/zinc/78/50/21/572785021.db2.gz FKKZYXPZBSUEMF-USKTWTLRSA-N 0 0 166.264 2.507 10 30 AFEERN C=C1C[C@H](O)[C@@H]2CCCC[C@H]2C1 307713664 572785037 /nfs/dbraw/zinc/78/50/37/572785037.db2.gz CGQCDNROLXNLLH-AXFHLTTASA-N 0 0 166.264 2.504 10 30 AFEERN C=CCC(F)(F)CCCC=O 238547218 572785067 /nfs/dbraw/zinc/78/50/67/572785067.db2.gz SNGXEMUASDZHID-UHFFFAOYSA-N 0 0 162.179 2.567 10 30 AFEERN C=CCCC1=C[C@@H](O)CC[C@@H]1C 307723172 572785070 /nfs/dbraw/zinc/78/50/70/572785070.db2.gz UEHSPCSXMKSPMN-ONGXEEELSA-N 0 0 166.264 2.670 10 30 AFEERN Cc1ccc(C#N)cc1[C@H]1CCC(=O)C1 238546294 572785073 /nfs/dbraw/zinc/78/50/73/572785073.db2.gz VUERKYUVCVEMQI-NSHDSACASA-N 0 0 199.253 2.703 10 30 AFEERN Cc1ccc(C#N)cc1[C@@H]1CCCC1=O 238545863 572785106 /nfs/dbraw/zinc/78/51/06/572785106.db2.gz HCZSMBANIJAHIO-NSHDSACASA-N 0 0 199.253 2.703 10 30 AFEERN C=CC[C@@H](O)C1=CC[C@H]2C[C@@H]1C2(C)C 307750931 572785231 /nfs/dbraw/zinc/78/52/31/572785231.db2.gz LTXKMGIUDZQVMO-ZMLRMANQSA-N 0 0 192.302 2.916 10 30 AFEERN Cc1cc(C#N)c(Nc2ccccc2)[nH]1 238533649 572785234 /nfs/dbraw/zinc/78/52/34/572785234.db2.gz RVTRCECNNLKDTH-UHFFFAOYSA-N 0 0 197.241 2.938 10 30 AFEERN C#CC[C@@H](CC)Nc1ncc(C)s1 307745519 572785417 /nfs/dbraw/zinc/78/54/17/572785417.db2.gz SBAJDWATOGFDER-SECBINFHSA-N 0 0 194.303 2.665 10 30 AFEERN C=Cc1c(CC#N)c2ccccc2n1C 238530064 572785621 /nfs/dbraw/zinc/78/56/21/572785621.db2.gz CJGVFEKVJHIFLH-UHFFFAOYSA-N 0 0 196.253 2.887 10 30 AFEERN C=C1CC[C@@H](CC=O)C1(C)C 196553387 572785664 /nfs/dbraw/zinc/78/56/64/572785664.db2.gz QIMUYKYZQUADBG-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=CCC[S@](=O)Cc1ccccc1 196549004 572785715 /nfs/dbraw/zinc/78/57/15/572785715.db2.gz BESOFTHGFCIFFC-ZDUSSCGKSA-N 0 0 194.299 2.511 10 30 AFEERN O=C[C@H](F)CCCc1ccccc1 238533618 572787088 /nfs/dbraw/zinc/78/70/88/572787088.db2.gz NAUCWDIQZPMULP-LLVKDONJSA-N 0 0 180.222 2.546 10 30 AFEERN CC#C/C(C)=C/[C@H](O)CCCC 307932096 572786007 /nfs/dbraw/zinc/78/60/07/572786007.db2.gz FKKZYXPZBSUEMF-PBQZMEPESA-N 0 0 166.264 2.507 10 30 AFEERN O=C1CCCC=C1Nc1ccccc1 141585250 572786095 /nfs/dbraw/zinc/78/60/95/572786095.db2.gz FHDWTVJQIRSBMI-UHFFFAOYSA-N 0 0 187.242 2.735 10 30 AFEERN C=CC1(CCO)CCCCC1 196542748 572786218 /nfs/dbraw/zinc/78/62/18/572786218.db2.gz JYBZHPILRDOTQL-UHFFFAOYSA-N 0 0 154.253 2.505 10 30 AFEERN CC(C)[C@@H]1CCC(=O)C2=CCC[C@@H]21 196543275 572786247 /nfs/dbraw/zinc/78/62/47/572786247.db2.gz VKTZDOVAXZUQND-VHSXEESVSA-N 0 0 178.275 2.958 10 30 AFEERN C=C1CC[C@H](CC=O)C1(C)C 196553393 572786328 /nfs/dbraw/zinc/78/63/28/572786328.db2.gz QIMUYKYZQUADBG-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C[C@H]1C[C@@H]2[C@H](C1=O)C2(C)C 306889209 572786364 /nfs/dbraw/zinc/78/63/64/572786364.db2.gz TUOHRQUGDYZBRF-IVZWLZJFSA-N 0 0 178.275 2.814 10 30 AFEERN CC(C)(C)C#CCC(=O)[C@@]1(C)C[C@@H]1F 306859137 572786580 /nfs/dbraw/zinc/78/65/80/572786580.db2.gz DXCVWWFZVNQTQB-CABZTGNLSA-N 0 0 196.265 2.743 10 30 AFEERN CC(C)[C@H]1CCC(=O)C2=CCC[C@H]21 196543269 572786701 /nfs/dbraw/zinc/78/67/01/572786701.db2.gz VKTZDOVAXZUQND-ZJUUUORDSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)[C@H]1CCC(=O)C2=CCC[C@@H]21 196543284 572786742 /nfs/dbraw/zinc/78/67/42/572786742.db2.gz VKTZDOVAXZUQND-NXEZZACHSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCCC(=O)C1(O)CCCCC1 236485959 572786759 /nfs/dbraw/zinc/78/67/59/572786759.db2.gz LTNOUYPQEYWPNU-UHFFFAOYSA-N 0 0 196.290 2.607 10 30 AFEERN N#Cc1ccc(-c2cc(F)ccn2)cc1 238547076 572786823 /nfs/dbraw/zinc/78/68/23/572786823.db2.gz PBBUSVAROSIYPS-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CC(C)[C@@H]1CCC(=O)C2=CCC[C@H]21 196543261 572786860 /nfs/dbraw/zinc/78/68/60/572786860.db2.gz VKTZDOVAXZUQND-UWVGGRQHSA-N 0 0 178.275 2.958 10 30 AFEERN Fc1ccnc(C#Cc2ccccc2)c1 238546736 572787050 /nfs/dbraw/zinc/78/70/50/572787050.db2.gz KDKRIHKLTCQHAY-UHFFFAOYSA-N 0 0 197.212 2.621 10 30 AFEERN Cc1ccc(C#N)cc1[C@@H]1CCC(=O)C1 238545825 572787296 /nfs/dbraw/zinc/78/72/96/572787296.db2.gz VUERKYUVCVEMQI-LLVKDONJSA-N 0 0 199.253 2.703 10 30 AFEERN Cc1cc(CC[C@H](C)C=O)cs1 308131970 572787331 /nfs/dbraw/zinc/78/73/31/572787331.db2.gz YAASJDCXAFVCJH-QMMMGPOBSA-N 0 0 182.288 2.824 10 30 AFEERN C=C1C[C@@H]2CCC(=O)[C@H](C)[C@H]2C1 307712857 572787362 /nfs/dbraw/zinc/78/73/62/572787362.db2.gz YNCUBLHFDOJXNW-KXUCPTDWSA-N 0 0 164.248 2.568 10 30 AFEERN N#CCOc1ccccc1-c1ccc[nH]1 238547625 572787444 /nfs/dbraw/zinc/78/74/44/572787444.db2.gz QWDUNUGAERRCJZ-UHFFFAOYSA-N 0 0 198.225 2.584 10 30 AFEERN CCC=CC(=O)CCC(F)(F)F 307932111 572787458 /nfs/dbraw/zinc/78/74/58/572787458.db2.gz FKWRMAXNBRPDMW-ARJAWSKDSA-N 0 0 180.169 2.864 10 30 AFEERN C=C(CCC=O)c1ccc(C)cc1 238547141 572787565 /nfs/dbraw/zinc/78/75/65/572787565.db2.gz KMZDWQDECCNKCU-UHFFFAOYSA-N 0 0 174.243 2.987 10 30 AFEERN C=C[C@@H](c1ccccc1)C(F)(F)C=O 238546967 572787595 /nfs/dbraw/zinc/78/75/95/572787595.db2.gz YSXPFJPCMLQKFI-JTQLQIEISA-N 0 0 196.196 2.790 10 30 AFEERN C=C[C@@H](C)OC(=O)C(C)(C)C(C)C 308131332 572787636 /nfs/dbraw/zinc/78/76/36/572787636.db2.gz BAMHUUMLJPYNFB-SECBINFHSA-N 0 0 184.279 2.786 10 30 AFEERN C#CCSCc1ccc(F)c(F)c1 306879827 572787690 /nfs/dbraw/zinc/78/76/90/572787690.db2.gz FIROBRBJNKLNGK-UHFFFAOYSA-N 0 0 198.237 2.831 10 30 AFEERN CC[C@@H](CC#N)CC(F)F 688711489 572787884 /nfs/dbraw/zinc/78/78/84/572787884.db2.gz DOKJGWZSAMOEHX-LURJTMIESA-N 0 0 147.168 2.581 10 30 AFEERN C=C(C)[C@H]1CCC2(CC2)[C@@H](O)C1 307746505 572787888 /nfs/dbraw/zinc/78/78/88/572787888.db2.gz VQFVVCCRFKJQHM-UWVGGRQHSA-N 0 0 166.264 2.504 10 30 AFEERN CC[C@H](CC#N)CC(F)F 688711490 572788026 /nfs/dbraw/zinc/78/80/26/572788026.db2.gz DOKJGWZSAMOEHX-ZCFIWIBFSA-N 0 0 147.168 2.581 10 30 AFEERN C=C(C)[C@@H](O)c1csc(C)c1C 306891129 572788051 /nfs/dbraw/zinc/78/80/51/572788051.db2.gz WMDAWACLFLALEV-SNVBAGLBSA-N 0 0 182.288 2.974 10 30 AFEERN C=CCC[C@]1(O)CC[C@H](C)C1 306840371 572788087 /nfs/dbraw/zinc/78/80/87/572788087.db2.gz ZROCHAKPCGGKJC-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN C=C[C@](C)(CO)c1cccc(Cl)c1 306816427 572788124 /nfs/dbraw/zinc/78/81/24/572788124.db2.gz CAOBPDDQDUWCHZ-LLVKDONJSA-N 0 0 196.677 2.776 10 30 AFEERN C=C1[C@H]2C[C@@H](C[C@H]1[C@H](C)O)C2(C)C 307725467 572788218 /nfs/dbraw/zinc/78/82/18/572788218.db2.gz BSPVWSPJSKKIPK-LNFKQOIKSA-N 0 0 180.291 2.606 10 30 AFEERN CC1=CC(=O)c2ccccc2CC1 141615411 572788235 /nfs/dbraw/zinc/78/82/35/572788235.db2.gz JTLFBUDEJBHHHS-UHFFFAOYSA-N 0 0 172.227 2.762 10 30 AFEERN N#CC1(c2cccc3ncccc23)CC1 238542449 572788285 /nfs/dbraw/zinc/78/82/85/572788285.db2.gz URRVGSBNKROSKU-UHFFFAOYSA-N 0 0 194.237 2.790 10 30 AFEERN N#CC1(c2ccc(OC3CC3)cc2)CC1 238542590 572788427 /nfs/dbraw/zinc/78/84/27/572788427.db2.gz QZLIXIWGSCJEBO-UHFFFAOYSA-N 0 0 199.253 2.783 10 30 AFEERN CC#CC[C@H](O)c1csc(C)c1C 306890030 572788524 /nfs/dbraw/zinc/78/85/24/572788524.db2.gz UUIMOORETMEFBQ-NSHDSACASA-N 0 0 194.299 2.812 10 30 AFEERN C=CCNc1cc(C)c(OC)cc1C 307760480 572788664 /nfs/dbraw/zinc/78/86/64/572788664.db2.gz VVWFPANCRXMYEB-UHFFFAOYSA-N 0 0 191.274 2.910 10 30 AFEERN CCCC=NO[C@H](C)CC 307770503 572788795 /nfs/dbraw/zinc/78/87/95/572788795.db2.gz BPZCIEPLYJQJCJ-MRVPVSSYSA-N 0 0 143.230 2.587 10 30 AFEERN N#Cc1ccccc1-c1cccc(F)n1 238541247 572788843 /nfs/dbraw/zinc/78/88/43/572788843.db2.gz TUTBKJLDWMSOPR-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN C=C(C)[C@H]1CC[C@](C)(OCC)[C@@H](O)C1 306808754 572788867 /nfs/dbraw/zinc/78/88/67/572788867.db2.gz PYXGJCIHVITOPH-SRVKXCTJSA-N 0 0 198.306 2.519 10 30 AFEERN C=C[C@H](C)OC(=O)C(C)(C)C(C)C 308131333 572788936 /nfs/dbraw/zinc/78/89/36/572788936.db2.gz BAMHUUMLJPYNFB-VIFPVBQESA-N 0 0 184.279 2.786 10 30 AFEERN N#CC1(c2cccc3cnccc23)CC1 238542421 572788937 /nfs/dbraw/zinc/78/89/37/572788937.db2.gz XJFBPGJCEZJVKP-UHFFFAOYSA-N 0 0 194.237 2.790 10 30 AFEERN C=C1C[C@@H]2C[C@@H]3CC[C@H](O)[C@]3(C)[C@H]2C1 307729898 572788941 /nfs/dbraw/zinc/78/89/41/572788941.db2.gz HPHPNBDPXHYTDZ-MOLYVOAJSA-N 0 0 192.302 2.750 10 30 AFEERN N#CC#Cc1csc2c1CCCC2 306868781 572788971 /nfs/dbraw/zinc/78/89/71/572788971.db2.gz RBRDSLZMEWWXHD-UHFFFAOYSA-N 0 0 187.267 2.502 10 30 AFEERN C=CCCC#C[C@@H]1C[C@H]1C 141639394 572789173 /nfs/dbraw/zinc/78/91/73/572789173.db2.gz NJDQIRFLMCSZJG-NXEZZACHSA-N 0 0 134.222 2.612 10 30 AFEERN N#CC1(c2ccccc2OC2CC2)CC1 238542524 572789185 /nfs/dbraw/zinc/78/91/85/572789185.db2.gz VXRRRPCNCFWIDW-UHFFFAOYSA-N 0 0 199.253 2.783 10 30 AFEERN CCCC=NO[C@@H](C)CC 307770505 572789212 /nfs/dbraw/zinc/78/92/12/572789212.db2.gz BPZCIEPLYJQJCJ-QMMMGPOBSA-N 0 0 143.230 2.587 10 30 AFEERN C=C[C@@H]1[C@H]([C@@H](C)O)[C@@H]1[Si](C)(C)C 306809150 572789270 /nfs/dbraw/zinc/78/92/70/572789270.db2.gz REVPUKYYBNXXIL-DOLQZWNJSA-N 0 0 184.355 2.508 10 30 AFEERN C#COc1nc2c(C)cccc2s1 306866856 572789303 /nfs/dbraw/zinc/78/93/03/572789303.db2.gz OPWCGOBYRGTCLE-UHFFFAOYSA-N 0 0 189.239 2.574 10 30 AFEERN Cc1ccc(C#N)cc1C1(C#N)CCC1 238544468 572791281 /nfs/dbraw/zinc/79/12/81/572791281.db2.gz TTYFRGVMVYHNHD-UHFFFAOYSA-N 0 0 196.253 2.812 10 30 AFEERN CCCC[C@@H](C)C(C)=NO 307770493 572789745 /nfs/dbraw/zinc/78/97/45/572789745.db2.gz BOUIIDFYMUEBIK-SSDOTTSWSA-N 0 0 143.230 2.663 10 30 AFEERN C=CCC(C)(C)/C=C/C=C\CO 307933108 572791298 /nfs/dbraw/zinc/79/12/98/572791298.db2.gz DIIYCFLVQACRPT-XCZNYUDNSA-N 0 0 166.264 2.693 10 30 AFEERN Cc1ccc2n1-c1ccc(C#N)cc1C2 238542303 572789844 /nfs/dbraw/zinc/78/98/44/572789844.db2.gz STSVOWYMWGXWQY-UHFFFAOYSA-N 0 0 194.237 2.562 10 30 AFEERN CC(C)=C[C@@H](C)CCC=O 141643219 572790015 /nfs/dbraw/zinc/79/00/15/572790015.db2.gz VSLDQJLOIISZKB-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@H](O)c1csc(C)c1C 306865301 572790093 /nfs/dbraw/zinc/79/00/93/572790093.db2.gz MJFDOSZDCLGNTM-JTQLQIEISA-N 0 0 182.288 2.974 10 30 AFEERN C/C(=C/Cl)C[C@@]1(C#N)CCCOC1 308128412 572790119 /nfs/dbraw/zinc/79/01/19/572790119.db2.gz APPXKHICZCBKGP-ABRRARGCSA-N 0 0 199.681 2.839 10 30 AFEERN C=C[C@H](O)/C=C\c1cccc(C)c1 308127913 572790141 /nfs/dbraw/zinc/79/01/41/572790141.db2.gz CMBUCPXMFSCXPN-KRZKBDHCSA-N 0 0 174.243 2.555 10 30 AFEERN CCCC1(C(=O)[C@H](C#N)CC)CC1 308127744 572790187 /nfs/dbraw/zinc/79/01/87/572790187.db2.gz BYGAMXRHVRFCIH-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C/C(=C/Cl)C[C@]1(C#N)CCCOC1 308128413 572790199 /nfs/dbraw/zinc/79/01/99/572790199.db2.gz APPXKHICZCBKGP-MBACFSSFSA-N 0 0 199.681 2.839 10 30 AFEERN C=CCCC(C)=NN[C@@H](C)C(C)C 308131753 572790260 /nfs/dbraw/zinc/79/02/60/572790260.db2.gz BHJHQQHOGLUAEU-NSHDSACASA-N 0 0 182.311 2.963 10 30 AFEERN C=C1CC[C@@H]2[C@@H](C)CCC(=O)[C@H]2C1 306828785 572790396 /nfs/dbraw/zinc/79/03/96/572790396.db2.gz GFYYMYWILBGLAO-AXFHLTTASA-N 0 0 178.275 2.958 10 30 AFEERN C=CC/C(F)=C/Cl 238544216 572790405 /nfs/dbraw/zinc/79/04/05/572790405.db2.gz AIIRCBNSLNIVHX-PLNGDYQASA-N 0 0 120.554 2.612 10 30 AFEERN C=C[C@@H](O)/C=C\c1cccc(C)c1 308127914 572790486 /nfs/dbraw/zinc/79/04/86/572790486.db2.gz CMBUCPXMFSCXPN-QDZRJHCZSA-N 0 0 174.243 2.555 10 30 AFEERN CC#C[C@@H](O)c1cccc(Cl)c1F 306870847 572790592 /nfs/dbraw/zinc/79/05/92/572790592.db2.gz VWVWPONEAQFKLD-SECBINFHSA-N 0 0 198.624 2.536 10 30 AFEERN N#CCCCc1ccccc1CC#N 238544745 572790630 /nfs/dbraw/zinc/79/06/30/572790630.db2.gz XKBRCHIZUSVSBL-UHFFFAOYSA-N 0 0 184.242 2.599 10 30 AFEERN CC(C)(C)[C@@H]1CCC(C=O)=C(O)C1 308127905 572791689 /nfs/dbraw/zinc/79/16/89/572791689.db2.gz CKWMIRWSWATFCV-UFGYOYAJSA-N 0 0 182.263 2.844 10 30 AFEERN C=CC[C@H](CC1CCCCC1)C(N)=O 238551923 572790841 /nfs/dbraw/zinc/79/08/41/572790841.db2.gz ASDBWXQLRNIIQB-LLVKDONJSA-N 0 0 195.306 2.634 10 30 AFEERN CC(C)(C)C#CCC(=O)[C@]1(C)C[C@H]1F 306859135 572790901 /nfs/dbraw/zinc/79/09/01/572790901.db2.gz DXCVWWFZVNQTQB-BXKDBHETSA-N 0 0 196.265 2.743 10 30 AFEERN C#CCS[C@@H](C)c1cccnc1 307704096 572791859 /nfs/dbraw/zinc/79/18/59/572791859.db2.gz WKGCPWHZXKGCLK-VIFPVBQESA-N 0 0 177.272 2.509 10 30 AFEERN CC/C=C\CCC#CCCCCO 308127907 572791891 /nfs/dbraw/zinc/79/18/91/572791891.db2.gz CLFRUFSTTQTJCH-ARJAWSKDSA-N 0 0 180.291 2.899 10 30 AFEERN C=C(C(F)(F)F)[C@]1(O)CCC1(C)C 307743432 572791872 /nfs/dbraw/zinc/79/18/72/572791872.db2.gz MDGSPIGQTGNBMS-MRVPVSSYSA-N 0 0 194.196 2.656 10 30 AFEERN CCCC1(C(=O)[C@@H](C#N)CC)CC1 308127742 572791949 /nfs/dbraw/zinc/79/19/49/572791949.db2.gz BYGAMXRHVRFCIH-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN CCCC/C(=C\C#CCO)CC 307934019 572792001 /nfs/dbraw/zinc/79/20/01/572792001.db2.gz CCMCLAVPJMQPGY-LUAWRHEFSA-N 0 0 166.264 2.509 10 30 AFEERN C=CC/C(=C/[C@H](C=C)CC=C)CO 308127967 572792020 /nfs/dbraw/zinc/79/20/20/572792020.db2.gz CXMCFKWNJDSDSR-ZGSOTFDTSA-N 0 0 178.275 2.860 10 30 AFEERN C#C[C@@](C)(CC)Nc1ncccc1C 306820457 572792278 /nfs/dbraw/zinc/79/22/78/572792278.db2.gz DPVHZFOPOCTUGI-LBPRGKRZSA-N 0 0 188.274 2.604 10 30 AFEERN CC(C)(C)[C@H]1CCC(C=O)=C(O)C1 308127904 572792286 /nfs/dbraw/zinc/79/22/86/572792286.db2.gz CKWMIRWSWATFCV-FUOZMLNRSA-N 0 0 182.263 2.844 10 30 AFEERN CCCC#C[C@H](O)/C=C\CCC 307936096 572792358 /nfs/dbraw/zinc/79/23/58/572792358.db2.gz MKVAGWFXKZZKJS-GXMKHXEJSA-N 0 0 166.264 2.507 10 30 AFEERN C=CC[C@@]1(C)[C@@H](O)CCC[C@H]1C 307755471 572792591 /nfs/dbraw/zinc/79/25/91/572792591.db2.gz DPYOQGKSPAOVBJ-OUAUKWLOSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC/C(=C/[C@@H](C=C)CC=C)CO 308127966 572792610 /nfs/dbraw/zinc/79/26/10/572792610.db2.gz CXMCFKWNJDSDSR-AWPPVZKDSA-N 0 0 178.275 2.860 10 30 AFEERN C=CC[C@](O)(CCC)C1CC1 307933626 572792793 /nfs/dbraw/zinc/79/27/93/572792793.db2.gz WSWDHVCOPGURBY-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN CC(C)[C@H](C)NN=CC1(C)CCC1 308131757 572792828 /nfs/dbraw/zinc/79/28/28/572792828.db2.gz BHXGCILATRRZKQ-JTQLQIEISA-N 0 0 182.311 2.797 10 30 AFEERN C=C[C@H](O)[C@H](C)[C@H]1CC=C(C)CC1 306856603 572792936 /nfs/dbraw/zinc/79/29/36/572792936.db2.gz XGYANCGRNWFBND-WOPDTQHZSA-N 0 0 180.291 2.916 10 30 AFEERN ON=C1CCC2(CCCCC2)C1 307934343 572793114 /nfs/dbraw/zinc/79/31/14/572793114.db2.gz GALGGSAJDXYMRX-UHFFFAOYSA-N 0 0 167.252 2.951 10 30 AFEERN C=C1C[C@@H]2[C@H](C[C@@H]1[C@@H](C)O)C2(C)C 307725881 572793448 /nfs/dbraw/zinc/79/34/48/572793448.db2.gz BRHCJBBLJXWECD-YTWAJWBKSA-N 0 0 180.291 2.606 10 30 AFEERN C#CCCC[C@@]1(O)CC(C)(C)C[C@H]1C 235342501 572793514 /nfs/dbraw/zinc/79/35/14/572793514.db2.gz QUNMQJOQKVKBML-DGCLKSJQSA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)c1nc2cc(C#N)ccc2o1 107131713 572793563 /nfs/dbraw/zinc/79/35/63/572793563.db2.gz WABVYWZTKHOXLO-UHFFFAOYSA-N 0 0 186.214 2.823 10 30 AFEERN C=C(C)CCSC(=S)OC 307701270 572794267 /nfs/dbraw/zinc/79/42/67/572794267.db2.gz RMGYYQVWMHZXJW-UHFFFAOYSA-N 0 0 176.306 2.617 10 30 AFEERN CCc1nc(C#N)cc2ccccc12 77256192 572795089 /nfs/dbraw/zinc/79/50/89/572795089.db2.gz CIJFHMPDRFJPCX-UHFFFAOYSA-N 0 0 182.226 2.669 10 30 AFEERN C=C1CC[C@@H]2[C@@H](C)CC[C@@H](O)[C@H]2C1 307738586 572794456 /nfs/dbraw/zinc/79/44/56/572794456.db2.gz XBHPOSXRVQQVMT-WHOHXGKFSA-N 0 0 180.291 2.750 10 30 AFEERN C=C1C[C@@H]2C=C[C@@]1(C[C@@H](O)C(C)C)C2 307716151 572794613 /nfs/dbraw/zinc/79/46/13/572794613.db2.gz HGVPKOQOYDSUFU-XQQFMLRXSA-N 0 0 192.302 2.916 10 30 AFEERN CCC#CC[C@@H](O)CCCCC 307933555 572794832 /nfs/dbraw/zinc/79/48/32/572794832.db2.gz HBQRRTLECZLFKM-NSHDSACASA-N 0 0 168.280 2.731 10 30 AFEERN C=C[C@@H]1C[C@@H](c2ccccc2)C[C@H]1O 307741667 572795019 /nfs/dbraw/zinc/79/50/19/572795019.db2.gz JJNDYMAVDBLYRJ-RAIGVLPGSA-N 0 0 188.270 2.727 10 30 AFEERN C#CCCNc1cc(C)c(F)cc1C 307755173 572795025 /nfs/dbraw/zinc/79/50/25/572795025.db2.gz CRFXNTSHDLVVON-UHFFFAOYSA-N 0 0 191.249 2.878 10 30 AFEERN N#CCc1cccc(C2(C#N)CCC2)c1 238552834 572795682 /nfs/dbraw/zinc/79/56/82/572795682.db2.gz VEONIUXKDFICFH-UHFFFAOYSA-N 0 0 196.253 2.698 10 30 AFEERN C#C[C@@H](C(C)C)[C@H](O)c1ccccc1 307700643 572795697 /nfs/dbraw/zinc/79/56/97/572795697.db2.gz MDSHMXWAGXFOOP-QWHCGFSZSA-N 0 0 188.270 2.625 10 30 AFEERN C=CCCC1(O)CC(C)(C)C1 307728872 572795882 /nfs/dbraw/zinc/79/58/82/572795882.db2.gz ICTRGEMUSGVGKM-UHFFFAOYSA-N 0 0 154.253 2.504 10 30 AFEERN CC#CCSCc1cccc(C)n1 307751806 572795977 /nfs/dbraw/zinc/79/59/77/572795977.db2.gz PJKBHAQRGKKFLR-UHFFFAOYSA-N 0 0 191.299 2.647 10 30 AFEERN C#CCCC(=O)[C@H]1CCCC[C@H]1C 307756642 572796032 /nfs/dbraw/zinc/79/60/32/572796032.db2.gz IQLKOXJXXJGFFS-MNOVXSKESA-N 0 0 178.275 2.795 10 30 AFEERN N#CCc1ccnc(-c2ccccc2)c1 238553222 572796328 /nfs/dbraw/zinc/79/63/28/572796328.db2.gz BYPMHGOCFDWSTL-UHFFFAOYSA-N 0 0 194.237 2.815 10 30 AFEERN C=CC[C@H]1C(=O)CCC[C@@H]1CC 141676134 572796668 /nfs/dbraw/zinc/79/66/68/572796668.db2.gz LJGAZTTUSGPSNS-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)c1cc2ccccn2c1C#N 141694490 572797227 /nfs/dbraw/zinc/79/72/27/572797227.db2.gz LYWPFQHOOLREJZ-UHFFFAOYSA-N 0 0 184.242 2.934 10 30 AFEERN C=CCn1c(C(C)C)c(C)sc1=O 307752751 572797243 /nfs/dbraw/zinc/79/72/43/572797243.db2.gz SPPQYZLWSLJOSN-UHFFFAOYSA-N 0 0 197.303 2.528 10 30 AFEERN C#CCCC[C@H](O)c1sccc1F 308132061 572797305 /nfs/dbraw/zinc/79/73/05/572797305.db2.gz JZDZPXYWASGNJB-VIFPVBQESA-N 0 0 198.262 2.724 10 30 AFEERN C=CC(C)(C)CNc1ccc(N)cc1 306830423 572797603 /nfs/dbraw/zinc/79/76/03/572797603.db2.gz LEVIWTFRWIFWKY-UHFFFAOYSA-N 0 0 190.290 2.893 10 30 AFEERN C=C[C@@H](C)Oc1ccc(F)cc1F 306892199 572797785 /nfs/dbraw/zinc/79/77/85/572797785.db2.gz XJEUDASARHTKDD-SSDOTTSWSA-N 0 0 184.185 2.918 10 30 AFEERN C=C[C@H](C)[C@@H]1C=CC[C@@H](C=O)C1 141670014 572797806 /nfs/dbraw/zinc/79/78/06/572797806.db2.gz FNCBZNPKGOLPBR-HBNTYKKESA-N 0 0 164.248 2.590 10 30 AFEERN C=C(C)[C@@H](CO)C1CCCCC1 141683305 572797897 /nfs/dbraw/zinc/79/78/97/572797897.db2.gz PTBNVIDILHCSBB-LLVKDONJSA-N 0 0 168.280 2.751 10 30 AFEERN C=CC[C@H](O)[C@H]1[C@@H](C)CC=C[C@H]1C 307740878 572799279 /nfs/dbraw/zinc/79/92/79/572799279.db2.gz ICGTYFIZWSKIJG-NOOOWODRSA-N 0 0 180.291 2.772 10 30 AFEERN N#CC1(c2cc3ccccc3cn2)CC1 214769838 572798272 /nfs/dbraw/zinc/79/82/72/572798272.db2.gz QTWSVZGVZHLDPO-UHFFFAOYSA-N 0 0 194.237 2.790 10 30 AFEERN C=C(C)[C@H](CO)C1CCCCC1 141683486 572798350 /nfs/dbraw/zinc/79/83/50/572798350.db2.gz PTBNVIDILHCSBB-NSHDSACASA-N 0 0 168.280 2.751 10 30 AFEERN C=C[C@H](C)[C@H]1C=CC[C@@H](C=O)C1 141669638 572798509 /nfs/dbraw/zinc/79/85/09/572798509.db2.gz FNCBZNPKGOLPBR-AXFHLTTASA-N 0 0 164.248 2.590 10 30 AFEERN C=C(C)[C@@H](C)[C@@H](O)[C@@H](C)CC 307707250 572798717 /nfs/dbraw/zinc/79/87/17/572798717.db2.gz YTQSPZRFRFADGG-AEJSXWLSSA-N 0 0 156.269 2.606 10 30 AFEERN C=C1C[C@H](O)[C@@H]2CCCC[C@@H]2C1 307713666 572798724 /nfs/dbraw/zinc/79/87/24/572798724.db2.gz CGQCDNROLXNLLH-MXWKQRLJSA-N 0 0 166.264 2.504 10 30 AFEERN C=C[C@H](O)/C=C/C=C\CCCC 307939167 572801115 /nfs/dbraw/zinc/80/11/15/572801115.db2.gz UHHQJDNRYBNNLV-HHVZQXGBSA-N 0 0 166.264 2.836 10 30 AFEERN CC(C)(C)C#CC[C@H](O)CC1(C)CC1 307706242 572799518 /nfs/dbraw/zinc/79/95/18/572799518.db2.gz XFNHSJIZMGDHGM-NSHDSACASA-N 0 0 194.318 2.977 10 30 AFEERN C=CCCC1=C[C@H](O)CC[C@H]1C 307711454 572799664 /nfs/dbraw/zinc/79/96/64/572799664.db2.gz UEHSPCSXMKSPMN-MWLCHTKSSA-N 0 0 166.264 2.670 10 30 AFEERN C=C[C@H](C)OC(=O)C1(C(C)C)CC1 308132100 572799735 /nfs/dbraw/zinc/79/97/35/572799735.db2.gz BNXWZVUJOYCXEY-VIFPVBQESA-N 0 0 182.263 2.540 10 30 AFEERN C=CCCCCCn1ccc(CO)c1 236515620 572799874 /nfs/dbraw/zinc/79/98/74/572799874.db2.gz SPYOARKZUMDXLX-UHFFFAOYSA-N 0 0 193.290 2.727 10 30 AFEERN CC[C@@H](C)C(C)=NNC(C)(C)C 307937951 572799876 /nfs/dbraw/zinc/79/98/76/572799876.db2.gz ASUBPGXMXJFTCA-MRVPVSSYSA-N 0 0 170.300 2.797 10 30 AFEERN N#CC1(c2cncc3ccccc23)CC1 214769921 572799957 /nfs/dbraw/zinc/79/99/57/572799957.db2.gz RAKYBIQRBJSJCL-UHFFFAOYSA-N 0 0 194.237 2.790 10 30 AFEERN CC(C)C(C(Cl)=NO)C(C)C 307937608 572799975 /nfs/dbraw/zinc/79/99/75/572799975.db2.gz ZGBUWYDDUDMICG-UHFFFAOYSA-N 0 0 177.675 2.941 10 30 AFEERN N#CCc1cncc(-c2ccccc2)c1 238553581 572800152 /nfs/dbraw/zinc/80/01/52/572800152.db2.gz ACXVJXORRBUWOH-UHFFFAOYSA-N 0 0 194.237 2.815 10 30 AFEERN C=C[C@@H](C)OC(=O)C1(C(C)C)CC1 308132099 572800271 /nfs/dbraw/zinc/80/02/71/572800271.db2.gz BNXWZVUJOYCXEY-SECBINFHSA-N 0 0 182.263 2.540 10 30 AFEERN CCCC=NNCCCCC 307937576 572800273 /nfs/dbraw/zinc/80/02/73/572800273.db2.gz ZBMZOEYUTSUDLU-UHFFFAOYSA-N 0 0 156.273 2.552 10 30 AFEERN C=CC[C@H](O)[C@@H]1[C@@H]2[C@H](C)CC[C@@]21C 307708723 572800296 /nfs/dbraw/zinc/80/02/96/572800296.db2.gz JYUNXUFKBWJHGJ-IIRVCBMXSA-N 0 0 180.291 2.606 10 30 AFEERN CC(C)(F)[C@@H](C=O)Cc1ccccc1 214770830 572800421 /nfs/dbraw/zinc/80/04/21/572800421.db2.gz ZSDZBDMYLIIIJX-LLVKDONJSA-N 0 0 194.249 2.792 10 30 AFEERN C=C1[C@H]2C(=O)CCC[C@]23CCC[C@@H]13 307727742 572800430 /nfs/dbraw/zinc/80/04/30/572800430.db2.gz FKWGHOXYJOUBST-DLOVCJGASA-N 0 0 176.259 2.712 10 30 AFEERN C#CCSCc1ccc(C)nc1C 307710515 572800594 /nfs/dbraw/zinc/80/05/94/572800594.db2.gz PVMNTQIDGSAQDD-UHFFFAOYSA-N 0 0 191.299 2.565 10 30 AFEERN CCCC(=NOCC)C1CC1 307938549 572800944 /nfs/dbraw/zinc/80/09/44/572800944.db2.gz ZZLARDCCHGLIFD-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN N#Cc1cc(-c2ccccc2)cnc1F 238553503 572801237 /nfs/dbraw/zinc/80/12/37/572801237.db2.gz LRGVSBPIWQMCQC-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN Cc1cccc(/C=C\CC=O)c1 118008931 572801592 /nfs/dbraw/zinc/80/15/92/572801592.db2.gz YIRNCLOUQABAAM-KXFIGUGUSA-N 0 0 160.216 2.597 10 30 AFEERN C=C[C@@H](C)N(C)c1ccc(F)cc1 306813209 572801700 /nfs/dbraw/zinc/80/17/00/572801700.db2.gz CLMYWYIIHSRLOP-SECBINFHSA-N 0 0 179.238 2.836 10 30 AFEERN O=CC/C=C\c1ccc(Cl)cc1 118003276 572801893 /nfs/dbraw/zinc/80/18/93/572801893.db2.gz GHDWVGDHSAMNER-IWQZZHSRSA-N 0 0 180.634 2.942 10 30 AFEERN Cc1cccc(/C=C/CC=O)c1 118008934 572801928 /nfs/dbraw/zinc/80/19/28/572801928.db2.gz YIRNCLOUQABAAM-QHHAFSJGSA-N 0 0 160.216 2.597 10 30 AFEERN C=CCC[C@@]1(O)CC[C@@H](C)C1 306840370 572802205 /nfs/dbraw/zinc/80/22/05/572802205.db2.gz ZROCHAKPCGGKJC-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN O=CC/C=C\c1cccc(Cl)c1 118022550 572802355 /nfs/dbraw/zinc/80/23/55/572802355.db2.gz XJFCVRCSBYTIPW-RJRFIUFISA-N 0 0 180.634 2.942 10 30 AFEERN C=CC[C@@H](C)C(C)=NOCC(F)F 308132376 572802477 /nfs/dbraw/zinc/80/24/77/572802477.db2.gz BTKMGAOHCKLPCY-SSDOTTSWSA-N 0 0 191.221 2.856 10 30 AFEERN Cc1ccccc1/C=C\CC=O 118024411 572802495 /nfs/dbraw/zinc/80/24/95/572802495.db2.gz QPLFYVWITFABNF-YWEYNIOJSA-N 0 0 160.216 2.597 10 30 AFEERN O=CC/C=C/c1ccc(Cl)cc1 118003279 572804396 /nfs/dbraw/zinc/80/43/96/572804396.db2.gz GHDWVGDHSAMNER-HNQUOIGGSA-N 0 0 180.634 2.942 10 30 AFEERN C=C1[C@H]2C[C@H]3C[C@@H]1/C(=C\CO)[C@@H](C2)C3 306809662 572802570 /nfs/dbraw/zinc/80/25/70/572802570.db2.gz SENQDYBENKZDBG-OCCCZLMMSA-N 0 0 190.286 2.527 10 30 AFEERN C#CCCSCc1scnc1C 307940389 572802654 /nfs/dbraw/zinc/80/26/54/572802654.db2.gz WHYZABQNZJMVNH-UHFFFAOYSA-N 0 0 197.328 2.708 10 30 AFEERN CC#C[C@H](O)c1cccc(Cl)c1F 306870848 572802665 /nfs/dbraw/zinc/80/26/65/572802665.db2.gz VWVWPONEAQFKLD-VIFPVBQESA-N 0 0 198.624 2.536 10 30 AFEERN C=CCCOC(=O)C[C@@H](C)CC 307939949 572802734 /nfs/dbraw/zinc/80/27/34/572802734.db2.gz BIFKULAQSCHESK-VIFPVBQESA-N 0 0 170.252 2.542 10 30 AFEERN CC[C@](C)(C=O)Cc1cccs1 317543312 572802770 /nfs/dbraw/zinc/80/27/70/572802770.db2.gz LTIDYLBBKGSXJA-JTQLQIEISA-N 0 0 182.288 2.906 10 30 AFEERN C=CCCCCCn1cccc1CO 236513764 572803035 /nfs/dbraw/zinc/80/30/35/572803035.db2.gz QSRSTWOWGKRXLB-UHFFFAOYSA-N 0 0 193.290 2.727 10 30 AFEERN C=CCCC/C=C\[C@@H](C)[C@H](C)O 307940524 572803043 /nfs/dbraw/zinc/80/30/43/572803043.db2.gz WXTJUXJAOYPZEZ-XJMUJKMXSA-N 0 0 168.280 2.916 10 30 AFEERN C=C(C(C)=O)c1ccc(Cl)cc1 117971044 572803648 /nfs/dbraw/zinc/80/36/48/572803648.db2.gz DEFNMZFTBITEMX-UHFFFAOYSA-N 0 0 180.634 2.942 10 30 AFEERN C=CCCC/C=C/[C@@H](C)[C@H](C)O 307940523 572803652 /nfs/dbraw/zinc/80/36/52/572803652.db2.gz WXTJUXJAOYPZEZ-OJLMFNQTSA-N 0 0 168.280 2.916 10 30 AFEERN C=C1C[C@@H](O)CC[C@H]2CCCC[C@H]12 306810751 572803740 /nfs/dbraw/zinc/80/37/40/572803740.db2.gz VBXSLXHDALVIOR-GRYCIOLGSA-N 0 0 180.291 2.894 10 30 AFEERN O=CC/C=C\c1ccccc1Cl 118017190 572803805 /nfs/dbraw/zinc/80/38/05/572803805.db2.gz OJGDVBRCKYWEER-UTCJRWHESA-N 0 0 180.634 2.942 10 30 AFEERN O=CC/C=C/c1ccccc1Cl 118017191 572804171 /nfs/dbraw/zinc/80/41/71/572804171.db2.gz OJGDVBRCKYWEER-ZZXKWVIFSA-N 0 0 180.634 2.942 10 30 AFEERN CC(C)[C@H](C)NN=CC1CCCC1 308132764 572804275 /nfs/dbraw/zinc/80/42/75/572804275.db2.gz CBPWPIOJOVCOLB-JTQLQIEISA-N 0 0 182.311 2.797 10 30 AFEERN C=C[C@H](/C=C/CO)c1ccccc1 204992777 572806582 /nfs/dbraw/zinc/80/65/82/572806582.db2.gz AFXATSGOIAVPTH-OALRPVAKSA-N 0 0 174.243 2.505 10 30 AFEERN C=C1/C(=C\Cl)[C@@H]2C=C[C@@H]3[C@H]1[C@@H]32 306857151 572804301 /nfs/dbraw/zinc/80/43/01/572804301.db2.gz XZVYJFOETSGOTM-FIHZECATSA-N 0 0 164.635 2.727 10 30 AFEERN C/C=C(\CC)C(=O)c1ccoc1 307940023 572804308 /nfs/dbraw/zinc/80/43/08/572804308.db2.gz VTXOUKRPDNXBCC-FPYGCLRLSA-N 0 0 164.204 2.819 10 30 AFEERN CC(C)[C@@H](C)NN=CC1CCCC1 308132765 572804335 /nfs/dbraw/zinc/80/43/35/572804335.db2.gz CBPWPIOJOVCOLB-SNVBAGLBSA-N 0 0 182.311 2.797 10 30 AFEERN CCN(C)N=CC1CCCCC1 307947397 572804425 /nfs/dbraw/zinc/80/44/25/572804425.db2.gz KYDYFWTZULLXQU-UHFFFAOYSA-N 0 0 168.284 2.504 10 30 AFEERN O=CC/C=C/c1cccc(Cl)c1 118022552 572804695 /nfs/dbraw/zinc/80/46/95/572804695.db2.gz XJFCVRCSBYTIPW-DAFODLJHSA-N 0 0 180.634 2.942 10 30 AFEERN C=C[C@H](C)Sc1nc(CC)c[nH]1 307940890 572805241 /nfs/dbraw/zinc/80/52/41/572805241.db2.gz XFMOZICLHZKROW-ZETCQYMHSA-N 0 0 182.292 2.639 10 30 AFEERN CC#CC[C@@H](O)c1csc(C)c1C 306890029 572805288 /nfs/dbraw/zinc/80/52/88/572805288.db2.gz UUIMOORETMEFBQ-LLVKDONJSA-N 0 0 194.299 2.812 10 30 AFEERN C=C1CCC[C@H](CC(C)=O)C1 196686010 572805684 /nfs/dbraw/zinc/80/56/84/572805684.db2.gz ILBGSTVGLFPKRY-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C#CC[C@]12CCC[C@H]([C@@H]1O)C(C)(C)C2 306889331 572805696 /nfs/dbraw/zinc/80/56/96/572805696.db2.gz XHVBJTVKIJNMQU-NTZNESFSSA-N 0 0 192.302 2.587 10 30 AFEERN Cc1cc(C)cc(N(C)CCC#N)c1 49800943 572805737 /nfs/dbraw/zinc/80/57/37/572805737.db2.gz TZZJCLWLSLCFAH-UHFFFAOYSA-N 0 0 188.274 2.653 10 30 AFEERN C/C=C(\CC)C(=O)c1ccco1 307941193 572805881 /nfs/dbraw/zinc/80/58/81/572805881.db2.gz YOEMJBJWVXTYQZ-FPYGCLRLSA-N 0 0 164.204 2.819 10 30 AFEERN CC#CCCC(=O)/C(=C\C)CC 307941274 572805945 /nfs/dbraw/zinc/80/59/45/572805945.db2.gz ZANVICPMHMAFCM-YHYXMXQVSA-N 0 0 164.248 2.715 10 30 AFEERN C=C[C@@H](/C=C/CO)c1ccccc1 204992741 572806000 /nfs/dbraw/zinc/80/60/00/572806000.db2.gz AFXATSGOIAVPTH-LAHYYIKRSA-N 0 0 174.243 2.505 10 30 AFEERN C=C[C@@]12CCC[C@@H](CC(=O)C1)C2 196686153 572806071 /nfs/dbraw/zinc/80/60/71/572806071.db2.gz VQDOFRTWSOECDE-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=S)C(=CO)CC(C)(C)C 196686124 572806113 /nfs/dbraw/zinc/80/61/13/572806113.db2.gz SRWHGDGUZMKEQZ-QMMMGPOBSA-N 0 0 172.293 2.628 10 30 AFEERN C#Cc1cncc(-c2ccccc2)c1 221609489 572807302 /nfs/dbraw/zinc/80/73/02/572807302.db2.gz GDNCYCYRXPDQTF-UHFFFAOYSA-N 0 0 179.222 2.730 10 30 AFEERN CC(=S)C(=CO)CC(C)(C)C 196686137 572806168 /nfs/dbraw/zinc/80/61/68/572806168.db2.gz SRWHGDGUZMKEQZ-MRVPVSSYSA-N 0 0 172.293 2.628 10 30 AFEERN N#C[C@@H]1CCC=C[C@H]1Nc1ccccc1 238556260 572806891 /nfs/dbraw/zinc/80/68/91/572806891.db2.gz NZNCDFWYRHBSJV-WCQYABFASA-N 0 0 198.269 2.957 10 30 AFEERN C=C1CCC[C@@H](CC(C)=O)C1 196685997 572806919 /nfs/dbraw/zinc/80/69/19/572806919.db2.gz ILBGSTVGLFPKRY-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)[C@H](O)c1csc(C)c1C 306891127 572807071 /nfs/dbraw/zinc/80/70/71/572807071.db2.gz WMDAWACLFLALEV-JTQLQIEISA-N 0 0 182.288 2.974 10 30 AFEERN C=C(C)[C@](O)(CC)[C@H]1CC1(C)C 306879400 572807093 /nfs/dbraw/zinc/80/70/93/572807093.db2.gz DZNGELUAIGGEGW-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN N#C[C@@H]1CCC=C[C@@H]1Nc1ccccc1 238556247 572807431 /nfs/dbraw/zinc/80/74/31/572807431.db2.gz NZNCDFWYRHBSJV-AAEUAGOBSA-N 0 0 198.269 2.957 10 30 AFEERN C=C[C@@H](C)Sc1nc(CC)c[nH]1 307940885 572807451 /nfs/dbraw/zinc/80/74/51/572807451.db2.gz XFMOZICLHZKROW-SSDOTTSWSA-N 0 0 182.292 2.639 10 30 AFEERN Cc1ccc(NC[C@H](C)S)cc1 196690272 572807462 /nfs/dbraw/zinc/80/74/62/572807462.db2.gz LDFCWDHKJYMNQN-VIFPVBQESA-N 0 0 181.304 2.725 10 30 AFEERN COc1ccccc1CC(C)(C)C#N 49804161 572807561 /nfs/dbraw/zinc/80/75/61/572807561.db2.gz HAGFZAWMWPHMFB-UHFFFAOYSA-N 0 0 189.258 2.787 10 30 AFEERN CCC(CC)CNN=CC(C)C 307941890 572807618 /nfs/dbraw/zinc/80/76/18/572807618.db2.gz CWOMMCQPSRKQJI-UHFFFAOYSA-N 0 0 170.300 2.654 10 30 AFEERN Cc1ccc(NC[C@@H](C)S)cc1 196690262 572807840 /nfs/dbraw/zinc/80/78/40/572807840.db2.gz LDFCWDHKJYMNQN-SECBINFHSA-N 0 0 181.304 2.725 10 30 AFEERN Cc1cc(C#N)c(Cl)s1 75085147 572808002 /nfs/dbraw/zinc/80/80/02/572808002.db2.gz CRSPZQMAACSDGV-UHFFFAOYSA-N 0 0 157.625 2.582 10 30 AFEERN CC[C@H](C)CON=C[C@@H]1C[C@@H]1C 307943743 572808160 /nfs/dbraw/zinc/80/81/60/572808160.db2.gz FXVKVRGFWBNUCB-GUBZILKMSA-N 0 0 169.268 2.691 10 30 AFEERN CC(C)C=NNCC1(C)CCCC1 308137500 572808278 /nfs/dbraw/zinc/80/82/78/572808278.db2.gz GEGKWESPDYBXSL-UHFFFAOYSA-N 0 0 182.311 2.798 10 30 AFEERN Cc1cccc([C@@H](O)[C@@H](C)CC#N)c1 49806413 572809370 /nfs/dbraw/zinc/80/93/70/572809370.db2.gz BZPXOEKOYLGISH-JQWIXIFHSA-N 0 0 189.258 2.578 10 30 AFEERN C=C/C(C)=C/CC[C@H](O)C(=C)C 307943093 572808554 /nfs/dbraw/zinc/80/85/54/572808554.db2.gz RFSXZASZJPRWDU-HUYFXPKMSA-N 0 0 166.264 2.836 10 30 AFEERN CC[C@H](C)CON=C[C@H]1C[C@@H]1C 307943745 572808560 /nfs/dbraw/zinc/80/85/60/572808560.db2.gz FXVKVRGFWBNUCB-LPEHRKFASA-N 0 0 169.268 2.691 10 30 AFEERN C=C([C@H](O)[C@@H](C)C1CC1)C(F)(F)F 308137542 572808565 /nfs/dbraw/zinc/80/85/65/572808565.db2.gz JFZDYGKWZLQPRM-YLWLKBPMSA-N 0 0 194.196 2.512 10 30 AFEERN C=CCCSc1nccn1CC 308137394 572808604 /nfs/dbraw/zinc/80/86/04/572808604.db2.gz FDIGGZXJSXPVMR-UHFFFAOYSA-N 0 0 182.292 2.571 10 30 AFEERN CCC[C@@H](C)C=NOCC(F)F 307943467 572808606 /nfs/dbraw/zinc/80/86/06/572808606.db2.gz FRWIVOYIBSSJCG-SSDOTTSWSA-N 0 0 179.210 2.690 10 30 AFEERN C=C[C@H](O)[C@H](C)[C@@H]1CC=C(C)CC1 306856602 572808773 /nfs/dbraw/zinc/80/87/73/572808773.db2.gz XGYANCGRNWFBND-UTUOFQBUSA-N 0 0 180.291 2.916 10 30 AFEERN CCC[C@H](C)C=NOCC(F)F 307943468 572808875 /nfs/dbraw/zinc/80/88/75/572808875.db2.gz FRWIVOYIBSSJCG-ZETCQYMHSA-N 0 0 179.210 2.690 10 30 AFEERN CC[C@H](C)CON=C[C@H]1C[C@H]1C 307943744 572808911 /nfs/dbraw/zinc/80/89/11/572808911.db2.gz FXVKVRGFWBNUCB-IVZWLZJFSA-N 0 0 169.268 2.691 10 30 AFEERN C=C([C@@H](O)[C@H](C)C1CC1)C(F)(F)F 308137538 572808931 /nfs/dbraw/zinc/80/89/31/572808931.db2.gz JFZDYGKWZLQPRM-XRGYYRRGSA-N 0 0 194.196 2.512 10 30 AFEERN Cc1cccc(N(C)CCC#N)c1C 49806317 572809010 /nfs/dbraw/zinc/80/90/10/572809010.db2.gz YXNLUNJYPSETQS-UHFFFAOYSA-N 0 0 188.274 2.653 10 30 AFEERN Cc1ccc([C@H](O)C[C@H](C)C#N)cc1 49806426 572809089 /nfs/dbraw/zinc/80/90/89/572809089.db2.gz FMPBAZQTFGWRJG-CMPLNLGQSA-N 0 0 189.258 2.578 10 30 AFEERN C/C=C(\CC)C(=O)[C@H](C)CCOC 308138091 572809092 /nfs/dbraw/zinc/80/90/92/572809092.db2.gz PZCBOSRAUAJHMZ-RAJVOEEQSA-N 0 0 184.279 2.584 10 30 AFEERN Cc1ccc([C@H](O)[C@H](C)CC#N)cc1 49806422 572809149 /nfs/dbraw/zinc/80/91/49/572809149.db2.gz RBUFSHLQCVWRBK-ZYHUDNBSSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1cccc([C@@H](O)C[C@@H](C)C#N)c1 49806417 572811169 /nfs/dbraw/zinc/81/11/69/572811169.db2.gz VCLRGPRXLZTYID-PWSUYJOCSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1cccc([C@@H](O)C[C@H](C)C#N)c1 49806419 572809314 /nfs/dbraw/zinc/80/93/14/572809314.db2.gz VCLRGPRXLZTYID-JQWIXIFHSA-N 0 0 189.258 2.578 10 30 AFEERN CN(CC(C)(C)C#N)c1ccccc1 49806321 572809362 /nfs/dbraw/zinc/80/93/62/572809362.db2.gz GSPQTOIBZKKIBW-UHFFFAOYSA-N 0 0 188.274 2.673 10 30 AFEERN C=C([C@H](O)[C@H](C)C1CC1)C(F)(F)F 308137531 572809388 /nfs/dbraw/zinc/80/93/88/572809388.db2.gz JFZDYGKWZLQPRM-SVGQVSJJSA-N 0 0 194.196 2.512 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C(C)(C)C 307942963 572809476 /nfs/dbraw/zinc/80/94/76/572809476.db2.gz DWPXQLIFDXJWSN-MRVPVSSYSA-N 0 0 170.252 2.540 10 30 AFEERN Cc1cccc([C@H](O)C[C@H](C)C#N)c1 49806418 572809492 /nfs/dbraw/zinc/80/94/92/572809492.db2.gz VCLRGPRXLZTYID-CMPLNLGQSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1cccc([C@H](O)[C@@H](C)CC#N)c1 49806412 572809584 /nfs/dbraw/zinc/80/95/84/572809584.db2.gz BZPXOEKOYLGISH-CMPLNLGQSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1cccc(N(C)C[C@H](C)C#N)c1 49806307 572809660 /nfs/dbraw/zinc/80/96/60/572809660.db2.gz VPGLCSBKMKWSBI-LLVKDONJSA-N 0 0 188.274 2.591 10 30 AFEERN Cc1ccc(CC(C#N)C#N)c(C)c1 49805915 572809601 /nfs/dbraw/zinc/80/96/01/572809601.db2.gz KRZBEOKWMWZVFU-UHFFFAOYSA-N 0 0 184.242 2.509 10 30 AFEERN Cc1ccc(C)c(N(C)CCC#N)c1 49806314 572809616 /nfs/dbraw/zinc/80/96/16/572809616.db2.gz GVHZBSJLPFVMHG-UHFFFAOYSA-N 0 0 188.274 2.653 10 30 AFEERN C=CCCCn1ccc(C(C)C)n1 308137639 572809635 /nfs/dbraw/zinc/80/96/35/572809635.db2.gz GGYSOBGNHGFVIC-UHFFFAOYSA-N 0 0 178.279 2.973 10 30 AFEERN Cc1ccc([C@@H](O)C[C@@H](C)C#N)cc1 49806425 572809751 /nfs/dbraw/zinc/80/97/51/572809751.db2.gz FMPBAZQTFGWRJG-PWSUYJOCSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1cccc(N(C)C[C@@H](C)C#N)c1 49806306 572809816 /nfs/dbraw/zinc/80/98/16/572809816.db2.gz VPGLCSBKMKWSBI-NSHDSACASA-N 0 0 188.274 2.591 10 30 AFEERN CC[C@H](C)CON=C[C@@H]1C[C@H]1C 307943742 572809835 /nfs/dbraw/zinc/80/98/35/572809835.db2.gz FXVKVRGFWBNUCB-AEJSXWLSSA-N 0 0 169.268 2.691 10 30 AFEERN C#CC1(C)CCCCCC1 306849696 572809886 /nfs/dbraw/zinc/80/98/86/572809886.db2.gz ODGAQVUBUUMGCW-UHFFFAOYSA-N 0 0 136.238 2.980 10 30 AFEERN Cc1cccc(C)c1N(C)CCC#N 49806316 572809897 /nfs/dbraw/zinc/80/98/97/572809897.db2.gz GIFJSJSHVGMUHC-UHFFFAOYSA-N 0 0 188.274 2.653 10 30 AFEERN C=CCCc1ccc(C#N)c(Cl)n1 306853011 572809931 /nfs/dbraw/zinc/80/99/31/572809931.db2.gz SWLXWAVWKJVUIH-UHFFFAOYSA-N 0 0 192.649 2.725 10 30 AFEERN Cc1ccc([C@H](O)C[C@@H](C)C#N)cc1 49806424 572810022 /nfs/dbraw/zinc/81/00/22/572810022.db2.gz FMPBAZQTFGWRJG-ZYHUDNBSSA-N 0 0 189.258 2.578 10 30 AFEERN CC=CC(=O)Cc1ccccc1C 308133330 572811196 /nfs/dbraw/zinc/81/11/96/572811196.db2.gz LMYSFXXYPSJGEV-UTCJRWHESA-N 0 0 174.243 2.683 10 30 AFEERN C#CCCCSCCCCOC 308138110 572810142 /nfs/dbraw/zinc/81/01/42/572810142.db2.gz FPGLUZCXIBKDQH-UHFFFAOYSA-N 0 0 186.320 2.560 10 30 AFEERN Cc1ccc([C@@H](O)[C@@H](C)CC#N)cc1 49806421 572810326 /nfs/dbraw/zinc/81/03/26/572810326.db2.gz RBUFSHLQCVWRBK-JQWIXIFHSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccc([C@H](O)[C@@H](C)CC#N)cc1 49806420 572810348 /nfs/dbraw/zinc/81/03/48/572810348.db2.gz RBUFSHLQCVWRBK-CMPLNLGQSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1cc(Cl)c(C)c(O)c1C#N 75085962 572810353 /nfs/dbraw/zinc/81/03/53/572810353.db2.gz XJBAHQZEEKFRHO-UHFFFAOYSA-N 0 0 181.622 2.534 10 30 AFEERN Cc1cccc([C@H](O)C[C@@H](C)C#N)c1 49806416 572810412 /nfs/dbraw/zinc/81/04/12/572810412.db2.gz VCLRGPRXLZTYID-ZYHUDNBSSA-N 0 0 189.258 2.578 10 30 AFEERN CCC(CC)CN=NC(C)CC 307943492 572810521 /nfs/dbraw/zinc/81/05/21/572810521.db2.gz FUHXKHRAAVMJQG-UHFFFAOYSA-N 0 0 170.300 2.798 10 30 AFEERN C=CCCC[C@H](C)OC(=O)C(C)C 308137768 572810629 /nfs/dbraw/zinc/81/06/29/572810629.db2.gz GMLZCYOYGDTUCY-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=C/C(C)=C/CC[C@@H](O)C(=C)C 307943094 572810802 /nfs/dbraw/zinc/81/08/02/572810802.db2.gz RFSXZASZJPRWDU-PFEDMVJOSA-N 0 0 166.264 2.836 10 30 AFEERN C[C@H]1CC[C@@H](C)c2cc(C#N)cnc21 49806116 572810936 /nfs/dbraw/zinc/81/09/36/572810936.db2.gz SRPXEONLRHQLLI-BDAKNGLRSA-N 0 0 186.258 2.954 10 30 AFEERN Cc1ccc(N(C)C[C@@H](C)C#N)cc1 49806310 572810942 /nfs/dbraw/zinc/81/09/42/572810942.db2.gz QIAFCPLYQZQBAH-NSHDSACASA-N 0 0 188.274 2.591 10 30 AFEERN C=CCN(CC(F)F)[C@@H](C)C(C)C 308138678 572811034 /nfs/dbraw/zinc/81/10/34/572811034.db2.gz HAJXELNIYKAABB-VIFPVBQESA-N 0 0 191.265 2.784 10 30 AFEERN Cc1ccc([C@@H](O)[C@H](C)CC#N)cc1 49806423 572811154 /nfs/dbraw/zinc/81/11/54/572811154.db2.gz RBUFSHLQCVWRBK-PWSUYJOCSA-N 0 0 189.258 2.578 10 30 AFEERN C=C[C@H](C)[C@@H](C)C(=O)OCC(=C)C 308133552 572811444 /nfs/dbraw/zinc/81/14/44/572811444.db2.gz CRJJBUXHHRNEKU-VHSXEESVSA-N 0 0 182.263 2.564 10 30 AFEERN Cc1ccc(N(C)C[C@H](C)C#N)cc1 49806311 572811479 /nfs/dbraw/zinc/81/14/79/572811479.db2.gz QIAFCPLYQZQBAH-LLVKDONJSA-N 0 0 188.274 2.591 10 30 AFEERN CCC(C)=NNC1CCCCC1 307944200 572811610 /nfs/dbraw/zinc/81/16/10/572811610.db2.gz GQODKNWGGRVREX-UHFFFAOYSA-N 0 0 168.284 2.695 10 30 AFEERN CC(C)C[C@@H](C)C=NOCC(F)F 308139396 572811623 /nfs/dbraw/zinc/81/16/23/572811623.db2.gz HJMGVUGYZSMSSL-MRVPVSSYSA-N 0 0 193.237 2.936 10 30 AFEERN Cc1ccc([C@@H](O)C[C@H](C)C#N)cc1 49806427 572811646 /nfs/dbraw/zinc/81/16/46/572811646.db2.gz FMPBAZQTFGWRJG-JQWIXIFHSA-N 0 0 189.258 2.578 10 30 AFEERN C#CCCCCCC(=O)OC(C)C 308139439 572811669 /nfs/dbraw/zinc/81/16/69/572811669.db2.gz HLRJXKXZGJSSEQ-UHFFFAOYSA-N 0 0 182.263 2.522 10 30 AFEERN C=C[C@@H](C)[C@H](C)C(=O)OCC(=C)C 308133553 572811722 /nfs/dbraw/zinc/81/17/22/572811722.db2.gz CRJJBUXHHRNEKU-ZJUUUORDSA-N 0 0 182.263 2.564 10 30 AFEERN C=CCNN=CCC(CC)CC 307943784 572811858 /nfs/dbraw/zinc/81/18/58/572811858.db2.gz GAVJFUUJYJIOEZ-UHFFFAOYSA-N 0 0 168.284 2.574 10 30 AFEERN CCC[C@H](C)[C@@H]1CCC[C@H](C=O)O1 308133829 572811931 /nfs/dbraw/zinc/81/19/31/572811931.db2.gz MGUNMVRWAORLKT-AXFHLTTASA-N 0 0 184.279 2.559 10 30 AFEERN C=C[C@H](C)[C@H](C)C(=O)OCC(=C)C 308133551 572811940 /nfs/dbraw/zinc/81/19/40/572811940.db2.gz CRJJBUXHHRNEKU-UWVGGRQHSA-N 0 0 182.263 2.564 10 30 AFEERN C=CCSCC(=O)C(C)(C)CC 308133560 572811961 /nfs/dbraw/zinc/81/19/61/572811961.db2.gz YXDURJYNJZUHJW-UHFFFAOYSA-N 0 0 186.320 2.911 10 30 AFEERN CCC[C@H](C)[C@H]1CCC[C@H](C=O)O1 308133834 572812308 /nfs/dbraw/zinc/81/23/08/572812308.db2.gz MGUNMVRWAORLKT-HBNTYKKESA-N 0 0 184.279 2.559 10 30 AFEERN CC(C)(C)C#CCC(=O)[C@@]1(C)C[C@H]1F 306859141 572812483 /nfs/dbraw/zinc/81/24/83/572812483.db2.gz DXCVWWFZVNQTQB-SKDRFNHKSA-N 0 0 196.265 2.743 10 30 AFEERN CCC[C@H](C)[C@H]1CCC[C@@H](C=O)O1 308133832 572812673 /nfs/dbraw/zinc/81/26/73/572812673.db2.gz MGUNMVRWAORLKT-GARJFASQSA-N 0 0 184.279 2.559 10 30 AFEERN C=CCN(CC(F)F)[C@H](C)C(C)C 308138677 572813274 /nfs/dbraw/zinc/81/32/74/572813274.db2.gz HAJXELNIYKAABB-SECBINFHSA-N 0 0 191.265 2.784 10 30 AFEERN N#Cc1c(C2CCCC2)noc1Cl 75087256 572813411 /nfs/dbraw/zinc/81/34/11/572813411.db2.gz CELJAUGZVFKBBH-UHFFFAOYSA-N 0 0 196.637 2.857 10 30 AFEERN CCN(C)N=C(C)C1CCCC1 307944476 572813549 /nfs/dbraw/zinc/81/35/49/572813549.db2.gz HCQOVAQLISGBNE-UHFFFAOYSA-N 0 0 168.284 2.504 10 30 AFEERN C=C1[C@@H](CC)[C@@H]1[C@@H](O)C(C)(C)C 306890959 572813581 /nfs/dbraw/zinc/81/35/81/572813581.db2.gz ZPODDXWNEXASQN-OPRDCNLKSA-N 0 0 168.280 2.606 10 30 AFEERN C=CC[C@@H](C)C(C)=NN(C)CC 307945263 572813631 /nfs/dbraw/zinc/81/36/31/572813631.db2.gz IDWGGTQYBABSNI-SECBINFHSA-N 0 0 168.284 2.526 10 30 AFEERN CC(C)C[C@H](C)C=NOCC(F)F 308139397 572813632 /nfs/dbraw/zinc/81/36/32/572813632.db2.gz HJMGVUGYZSMSSL-QMMMGPOBSA-N 0 0 193.237 2.936 10 30 AFEERN CC(C)[C@@H](C#N)C=NOC(C)(C)C 308139478 572813694 /nfs/dbraw/zinc/81/36/94/572813694.db2.gz HOLOCDWBPDZFHW-VIFPVBQESA-N 0 0 182.267 2.583 10 30 AFEERN CCCCC#C/C(C)=C\[C@H](C)O 307943886 572813726 /nfs/dbraw/zinc/81/37/26/572813726.db2.gz UODHGXKJSONJLN-JUDLJHIGSA-N 0 0 166.264 2.507 10 30 AFEERN C=CC[C@H](C)C(C)=NN(C)CC 307945264 572813854 /nfs/dbraw/zinc/81/38/54/572813854.db2.gz IDWGGTQYBABSNI-VIFPVBQESA-N 0 0 168.284 2.526 10 30 AFEERN C=C[C@@H](C)[C@@H](C)C(=O)OCC(=C)C 308133550 572813857 /nfs/dbraw/zinc/81/38/57/572813857.db2.gz CRJJBUXHHRNEKU-NXEZZACHSA-N 0 0 182.263 2.564 10 30 AFEERN C=C(C)[C@@](O)(CC)[C@@H]1CC1(C)C 306879401 572814059 /nfs/dbraw/zinc/81/40/59/572814059.db2.gz DZNGELUAIGGEGW-KOLCDFICSA-N 0 0 168.280 2.750 10 30 AFEERN CCCCC#C/C(C)=C\[C@@H](C)O 307943885 572814065 /nfs/dbraw/zinc/81/40/65/572814065.db2.gz UODHGXKJSONJLN-DWOQACPDSA-N 0 0 166.264 2.507 10 30 AFEERN CC#C[C@](O)(CCC)c1ccccc1 306816226 572814212 /nfs/dbraw/zinc/81/42/12/572814212.db2.gz IJWXIFVWDRIWAS-CYBMUJFWSA-N 0 0 188.270 2.698 10 30 AFEERN CC(C)(C)C#CCC(=O)[C@]1(C)C[C@@H]1F 306859139 572814253 /nfs/dbraw/zinc/81/42/53/572814253.db2.gz DXCVWWFZVNQTQB-JOYOIKCWSA-N 0 0 196.265 2.743 10 30 AFEERN Cc1ccc(-c2ccc(C#N)nc2)cc1 238556590 572814277 /nfs/dbraw/zinc/81/42/77/572814277.db2.gz CWXCDWLEKYCSNU-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN CC[C@@H](C)CSCCC[C@H]1CO1 308134601 572814620 /nfs/dbraw/zinc/81/46/20/572814620.db2.gz ZGNHRLXDRIXEIR-ZJUUUORDSA-N 0 0 188.336 2.945 10 30 AFEERN C=C(C)[C@](O)(CC)[C@@H]1CC1(C)C 306879402 572814722 /nfs/dbraw/zinc/81/47/22/572814722.db2.gz DZNGELUAIGGEGW-MWLCHTKSSA-N 0 0 168.280 2.750 10 30 AFEERN CC[C@@H](C)CSCCC[C@@H]1CO1 308134598 572814728 /nfs/dbraw/zinc/81/47/28/572814728.db2.gz ZGNHRLXDRIXEIR-NXEZZACHSA-N 0 0 188.336 2.945 10 30 AFEERN CN(CCC#N)c1ccccc1Cl 49811406 572814821 /nfs/dbraw/zinc/81/48/21/572814821.db2.gz HGVVQNBIRFPEAT-UHFFFAOYSA-N 0 0 194.665 2.690 10 30 AFEERN CCCCCC=NNCC1CC1 307945859 572814895 /nfs/dbraw/zinc/81/48/95/572814895.db2.gz IXHRHHGECGMVHR-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN CN(CCC#N)c1cccc(Cl)c1 49811407 572815011 /nfs/dbraw/zinc/81/50/11/572815011.db2.gz GBRMDQYCEVUHFB-UHFFFAOYSA-N 0 0 194.665 2.690 10 30 AFEERN CC(C)C(=NOC1CCC1)C1CC1 308134838 572815265 /nfs/dbraw/zinc/81/52/65/572815265.db2.gz DNSBKFXVRLTAOG-UHFFFAOYSA-N 0 0 181.279 2.978 10 30 AFEERN Cc1c(Cl)cccc1N(C)CC#N 49811408 572815371 /nfs/dbraw/zinc/81/53/71/572815371.db2.gz TZYJUEZKXYUTQR-UHFFFAOYSA-N 0 0 194.665 2.608 10 30 AFEERN C=CC[C@H](CC)OC(=O)C(C)C 307945445 572815483 /nfs/dbraw/zinc/81/54/83/572815483.db2.gz IJEMKBRLPGBGFU-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN CCCN[C@H](C#N)c1ccsc1C 308134283 572815781 /nfs/dbraw/zinc/81/57/81/572815781.db2.gz MOHURXWVNNUASP-SNVBAGLBSA-N 0 0 194.303 2.621 10 30 AFEERN C=CC[C@@H](CC)OC(=O)C(C)C 307945444 572815796 /nfs/dbraw/zinc/81/57/96/572815796.db2.gz IJEMKBRLPGBGFU-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN CC[C@H](C)CSCCC[C@@H]1CO1 308134600 572816035 /nfs/dbraw/zinc/81/60/35/572816035.db2.gz ZGNHRLXDRIXEIR-VHSXEESVSA-N 0 0 188.336 2.945 10 30 AFEERN CCCN[C@@H](C#N)c1ccsc1C 308134282 572816311 /nfs/dbraw/zinc/81/63/11/572816311.db2.gz MOHURXWVNNUASP-JTQLQIEISA-N 0 0 194.303 2.621 10 30 AFEERN C#Cc1cccc(N(C)C(C)C)c1 306821450 572816340 /nfs/dbraw/zinc/81/63/40/572816340.db2.gz KNCHGRZYMSYRGG-UHFFFAOYSA-N 0 0 173.259 2.513 10 30 AFEERN CC(C)C=NNC1CCC(C)CC1 308134853 572816429 /nfs/dbraw/zinc/81/64/29/572816429.db2.gz DPASAXFUHQEXKW-UHFFFAOYSA-N 0 0 182.311 2.797 10 30 AFEERN C=CCC[C@@]1(O)CC[C@H](C)C1 306840372 572816500 /nfs/dbraw/zinc/81/65/00/572816500.db2.gz ZROCHAKPCGGKJC-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)CCNc1cc(N)cc(F)c1 306846322 572816542 /nfs/dbraw/zinc/81/65/42/572816542.db2.gz JTASWWRMZCJVPM-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H](C)CC(=C)C 308135469 572817498 /nfs/dbraw/zinc/81/74/98/572817498.db2.gz DZVRDEDADQSDIF-ZJUUUORDSA-N 0 0 182.263 2.706 10 30 AFEERN CC(C)C[C@H](C)C=NNCC1CC1 308135459 572817747 /nfs/dbraw/zinc/81/77/47/572817747.db2.gz DZJIZDVSRHNNOW-JTQLQIEISA-N 0 0 182.311 2.654 10 30 AFEERN Cc1ccccc1SCC[C@@H]1CO1 308135749 572817856 /nfs/dbraw/zinc/81/78/56/572817856.db2.gz OARYEPODOCWXIR-SNVBAGLBSA-N 0 0 194.299 2.876 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H](C)CC(=C)C 308135468 572817955 /nfs/dbraw/zinc/81/79/55/572817955.db2.gz DZVRDEDADQSDIF-VHSXEESVSA-N 0 0 182.263 2.706 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H](C)CC(=C)C 308135466 572817963 /nfs/dbraw/zinc/81/79/63/572817963.db2.gz DZVRDEDADQSDIF-NXEZZACHSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC(C)(C)Cn1cccc1 306949594 572817972 /nfs/dbraw/zinc/81/79/72/572817972.db2.gz WNJLCDYFXSCNEF-UHFFFAOYSA-N 0 0 149.237 2.700 10 30 AFEERN C=CCOC(=O)C[C@@H](C)CC(C)C 308135012 572817982 /nfs/dbraw/zinc/81/79/82/572817982.db2.gz DRQWTEUACPOYKI-JTQLQIEISA-N 0 0 184.279 2.788 10 30 AFEERN N#C[C@@H]1Nc2ccccc2C12CCCC2 238559366 572818097 /nfs/dbraw/zinc/81/80/97/572818097.db2.gz HGFDBDXJFWHPQZ-LBPRGKRZSA-N 0 0 198.269 2.816 10 30 AFEERN C=C[C@@H](O)c1csc(C)c1C 306826727 572819060 /nfs/dbraw/zinc/81/90/60/572819060.db2.gz CKCCMNOHJPNKAG-SECBINFHSA-N 0 0 168.261 2.584 10 30 AFEERN CC1=C2C=CC(=O)C(C)(C)[C@H]2CC1 196941215 572818816 /nfs/dbraw/zinc/81/88/16/572818816.db2.gz NVDABRJDVVLJTI-JTQLQIEISA-N 0 0 176.259 2.878 10 30 AFEERN C=C1C=C[C@@H]2[C@H](C)[C@H]1[C@H](O)CC2(C)C 306939160 572818842 /nfs/dbraw/zinc/81/88/42/572818842.db2.gz NSPOPAOIDWIIDL-QCNOEVLYSA-N 0 0 192.302 2.772 10 30 AFEERN CC1=C2C=CC(=O)C(C)(C)[C@@H]2CC1 196941204 572818881 /nfs/dbraw/zinc/81/88/81/572818881.db2.gz NVDABRJDVVLJTI-SNVBAGLBSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)C[C@@H](C)C=NNCC1CC1 308135460 572818897 /nfs/dbraw/zinc/81/88/97/572818897.db2.gz DZJIZDVSRHNNOW-SNVBAGLBSA-N 0 0 182.311 2.654 10 30 AFEERN C=C[C@@H]1CC[C@@]2(C)CCC(=O)C[C@@H]12 196947935 572819008 /nfs/dbraw/zinc/81/90/08/572819008.db2.gz APZVSYDBMJAOQQ-USWWRNFRSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)(C)C=NOCCC(F)(F)F 308135508 572819100 /nfs/dbraw/zinc/81/91/00/572819100.db2.gz FCDISLYXGLJJGZ-UHFFFAOYSA-N 0 0 197.200 2.987 10 30 AFEERN C=CCC(=O)c1ccc(C)cc1OC 75119444 572819446 /nfs/dbraw/zinc/81/94/46/572819446.db2.gz VYXPUJWEEBAQIQ-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C#CCNc1ccc(C2CC2)c(F)c1 306859629 572819464 /nfs/dbraw/zinc/81/94/64/572819464.db2.gz BVQJMCQXYSZNQV-UHFFFAOYSA-N 0 0 189.233 2.748 10 30 AFEERN C=C[C@@H]1CC[C@]2(C)CCC(=O)C[C@@H]12 196947950 572819503 /nfs/dbraw/zinc/81/95/03/572819503.db2.gz APZVSYDBMJAOQQ-ADEWGFFLSA-N 0 0 178.275 2.958 10 30 AFEERN N#C[C@H]1CCC=C[C@H]1Nc1ccccc1 238561570 572819610 /nfs/dbraw/zinc/81/96/10/572819610.db2.gz NZNCDFWYRHBSJV-DGCLKSJQSA-N 0 0 198.269 2.957 10 30 AFEERN C=C1CC(C)(C)C[C@H]1C 235266532 572819675 /nfs/dbraw/zinc/81/96/75/572819675.db2.gz RHBQYWBHWJVTDN-MRVPVSSYSA-N 0 0 124.227 2.999 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H](C)CC(=C)C 308135467 572819694 /nfs/dbraw/zinc/81/96/94/572819694.db2.gz DZVRDEDADQSDIF-UWVGGRQHSA-N 0 0 182.263 2.706 10 30 AFEERN Cc1ccccc1SCC[C@H]1CO1 308135747 572820047 /nfs/dbraw/zinc/82/00/47/572820047.db2.gz OARYEPODOCWXIR-JTQLQIEISA-N 0 0 194.299 2.876 10 30 AFEERN CCCC(=O)C#C/C=C(/C)CC 306990274 572820277 /nfs/dbraw/zinc/82/02/77/572820277.db2.gz IRNUSZFWJLLATG-NTMALXAHSA-N 0 0 164.248 2.715 10 30 AFEERN Cc1ccc(C#N)c(C(C)C)c1 118178521 572820282 /nfs/dbraw/zinc/82/02/82/572820282.db2.gz KVHAWDFMOHLVDZ-UHFFFAOYSA-N 0 0 159.232 2.990 10 30 AFEERN C=C(C)CCNc1c(N)cccc1F 306947146 572820332 /nfs/dbraw/zinc/82/03/32/572820332.db2.gz OPKSTUZJKKMOIC-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN C=C[C@@]12C=C[C@@](C)(CCC1=O)CC2 196954370 572820526 /nfs/dbraw/zinc/82/05/26/572820526.db2.gz CZDAGBJAWHZBJP-NEPJUHHUSA-N 0 0 176.259 2.878 10 30 AFEERN CC12C=CC(=O)C(C)(CC1)CC2 196954436 572820577 /nfs/dbraw/zinc/82/05/77/572820577.db2.gz MQEWKZNMDTWNJE-UHFFFAOYSA-N 0 0 164.248 2.712 10 30 AFEERN N#C[C@H]1CCC=C[C@@H]1Nc1ccccc1 238561557 572820649 /nfs/dbraw/zinc/82/06/49/572820649.db2.gz NZNCDFWYRHBSJV-YPMHNXCESA-N 0 0 198.269 2.957 10 30 AFEERN C=CC12CCC(C)(C=CC1=O)CC2 196954502 572820655 /nfs/dbraw/zinc/82/06/55/572820655.db2.gz DTCMHFNVQBFFLI-UHFFFAOYSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@]12C=C[C@](C)(CCC1=O)CC2 196954338 572820676 /nfs/dbraw/zinc/82/06/76/572820676.db2.gz CZDAGBJAWHZBJP-NWDGAFQWSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc(C#N)cc(C)c1OC(F)F 83843292 572820677 /nfs/dbraw/zinc/82/06/77/572820677.db2.gz NWNKKZQNKRNYRX-UHFFFAOYSA-N 0 0 197.184 2.777 10 30 AFEERN Cc1cc(C#N)cc(C)c1OC(C)C 83843290 572822485 /nfs/dbraw/zinc/82/24/85/572822485.db2.gz HMRGSRWXTIUVOE-UHFFFAOYSA-N 0 0 189.258 2.962 10 30 AFEERN CCCCc1ccccc1N=CNO 49841656 572820917 /nfs/dbraw/zinc/82/09/17/572820917.db2.gz AXRLOUATLDLSKJ-UHFFFAOYSA-N 0 0 192.262 2.668 10 30 AFEERN C=C(CC)CNn1c(C)ccc1C 85831016 572821016 /nfs/dbraw/zinc/82/10/16/572821016.db2.gz RNKXHBPREHYGQI-UHFFFAOYSA-N 0 0 178.279 2.615 10 30 AFEERN C=C(CC)Cn1cccc1C(C)=O 85832583 572821065 /nfs/dbraw/zinc/82/10/65/572821065.db2.gz BDHXLVPDYBWOEQ-UHFFFAOYSA-N 0 0 177.247 2.657 10 30 AFEERN C=CCCCNn1c(C)ccc1C 85831120 572821067 /nfs/dbraw/zinc/82/10/67/572821067.db2.gz VPRWBIMMNMEMOO-UHFFFAOYSA-N 0 0 178.279 2.615 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H](C)CC 307947984 572821311 /nfs/dbraw/zinc/82/13/11/572821311.db2.gz LSRXHTVUNSIUEG-DTWKUNHWSA-N 0 0 170.252 2.540 10 30 AFEERN CCC(CC)=NN[C@@H](C)C(C)C 307948831 572821322 /nfs/dbraw/zinc/82/13/22/572821322.db2.gz MHZIIAFBUIWZPO-VIFPVBQESA-N 0 0 170.300 2.797 10 30 AFEERN CC[C@H](C)ON=C1CC[C@@H]1CC 307948123 572821566 /nfs/dbraw/zinc/82/15/66/572821566.db2.gz AGVRJGIXSMECKM-IUCAKERBSA-N 0 0 169.268 2.978 10 30 AFEERN C=CCCCn1cccc1C(C)=O 85832614 572821594 /nfs/dbraw/zinc/82/15/94/572821594.db2.gz PVYLMKXWYQLLLJ-UHFFFAOYSA-N 0 0 177.247 2.657 10 30 AFEERN C=CC[C@@H]1C(=C)[C@H](O)CCC1(C)C 306810270 572821708 /nfs/dbraw/zinc/82/17/08/572821708.db2.gz UDAMBFKXSMEJJF-GHMZBOCLSA-N 0 0 180.291 2.916 10 30 AFEERN CC[C@H]1CCC1=NO[C@H](C)CC 307948120 572821745 /nfs/dbraw/zinc/82/17/45/572821745.db2.gz AGVRJGIXSMECKM-BDAKNGLRSA-N 0 0 169.268 2.978 10 30 AFEERN CSCC[C@@]1(C=O)CC[C@@H](C)C1 317376083 572821817 /nfs/dbraw/zinc/82/18/17/572821817.db2.gz WMMOMYGIBOBEQU-ZJUUUORDSA-N 0 0 186.320 2.745 10 30 AFEERN C=C([C@H](O)C[C@H](C)CC)C(F)(F)F 308140121 572821926 /nfs/dbraw/zinc/82/19/26/572821926.db2.gz KNGSHPJEDWUUET-HTRCEHHLSA-N 0 0 196.212 2.902 10 30 AFEERN C=C(CC)Cn1ccc(C(C)=O)c1 85832887 572822028 /nfs/dbraw/zinc/82/20/28/572822028.db2.gz FSHNAVLCLALAAV-UHFFFAOYSA-N 0 0 177.247 2.657 10 30 AFEERN CC[C@@H](C)ON=C1CC[C@H]1CC 307948124 572822077 /nfs/dbraw/zinc/82/20/77/572822077.db2.gz AGVRJGIXSMECKM-RKDXNWHRSA-N 0 0 169.268 2.978 10 30 AFEERN CCON=Cc1cccc(Cl)c1 308139964 572822106 /nfs/dbraw/zinc/82/21/06/572822106.db2.gz GPZZGMSZLOZSKQ-UHFFFAOYSA-N 0 0 183.638 2.710 10 30 AFEERN C=CC[C@@H](O)c1csc(C)c1C 306865302 572822147 /nfs/dbraw/zinc/82/21/47/572822147.db2.gz MJFDOSZDCLGNTM-SNVBAGLBSA-N 0 0 182.288 2.974 10 30 AFEERN C=C([C@@H](O)C[C@@H](C)CC)C(F)(F)F 308140126 572822188 /nfs/dbraw/zinc/82/21/88/572822188.db2.gz KNGSHPJEDWUUET-XPUUQOCRSA-N 0 0 196.212 2.902 10 30 AFEERN C=CCCCn1cccc1[C@H](C)O 85833636 572822276 /nfs/dbraw/zinc/82/22/76/572822276.db2.gz SJKKZRWTUCSMMW-JTQLQIEISA-N 0 0 179.263 2.508 10 30 AFEERN CC[C@@H](C)NN=C(C)CC1CC1 307949240 572822295 /nfs/dbraw/zinc/82/22/95/572822295.db2.gz BBDLWOUYGRXZER-MRVPVSSYSA-N 0 0 168.284 2.551 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@H](C)CC 307947983 572822322 /nfs/dbraw/zinc/82/23/22/572822322.db2.gz LSRXHTVUNSIUEG-BDAKNGLRSA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H](C)CC 307947986 572822370 /nfs/dbraw/zinc/82/23/70/572822370.db2.gz LSRXHTVUNSIUEG-RKDXNWHRSA-N 0 0 170.252 2.540 10 30 AFEERN C=C[C@H](O)[C@@H](C)[C@@H]1CC=C(C)CC1 306856601 572822557 /nfs/dbraw/zinc/82/25/57/572822557.db2.gz XGYANCGRNWFBND-TUAOUCFPSA-N 0 0 180.291 2.916 10 30 AFEERN C=CC[C@@H](C)[C@H]1CCCC[C@@H]1O 306806672 572822569 /nfs/dbraw/zinc/82/25/69/572822569.db2.gz KNBJQMVXKBZXMR-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN CC(=NOCC(C)C)c1cncs1 308140148 572822614 /nfs/dbraw/zinc/82/26/14/572822614.db2.gz HYBUCABRUUYZMM-UHFFFAOYSA-N 0 0 198.291 2.540 10 30 AFEERN C=CCCCCC[C@H](O)[C@@H]1CCCO1 236536134 572827087 /nfs/dbraw/zinc/82/70/87/572827087.db2.gz WJFCTTNVUDPUDY-RYUDHWBXSA-N 0 0 198.306 2.663 10 30 AFEERN C=C(CC)Cn1cccc1[C@H](C)O 85833184 572822822 /nfs/dbraw/zinc/82/28/22/572822822.db2.gz WGKKPIVAOZQDIE-JTQLQIEISA-N 0 0 179.263 2.508 10 30 AFEERN N#C[C@H]1Nc2ccccc2C12CCCC2 238564754 572822950 /nfs/dbraw/zinc/82/29/50/572822950.db2.gz HGFDBDXJFWHPQZ-GFCCVEGCSA-N 0 0 198.269 2.816 10 30 AFEERN CC(C)(C)C=NNCCC(F)(F)F 308144443 572822863 /nfs/dbraw/zinc/82/28/63/572822863.db2.gz KTTFNVXFLJRECA-UHFFFAOYSA-N 0 0 196.216 2.560 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H](C)CC 307947985 572823115 /nfs/dbraw/zinc/82/31/15/572823115.db2.gz LSRXHTVUNSIUEG-IUCAKERBSA-N 0 0 170.252 2.540 10 30 AFEERN CC[C@H](C)NN=C(C)CC1CC1 307949242 572823131 /nfs/dbraw/zinc/82/31/31/572823131.db2.gz BBDLWOUYGRXZER-QMMMGPOBSA-N 0 0 168.284 2.551 10 30 AFEERN CCc1ccc(C(=O)[C@@H](C#N)CC)o1 85826898 572823234 /nfs/dbraw/zinc/82/32/34/572823234.db2.gz XBJPJWAVVSPSRQ-MRVPVSSYSA-N 0 0 191.230 2.574 10 30 AFEERN CC[C@H](C)ON=C1CC[C@H]1CC 307948121 572823582 /nfs/dbraw/zinc/82/35/82/572823582.db2.gz AGVRJGIXSMECKM-DTWKUNHWSA-N 0 0 169.268 2.978 10 30 AFEERN C=C(C)Cn1ccc([C@@H](O)CC)c1 85838820 572823656 /nfs/dbraw/zinc/82/36/56/572823656.db2.gz WULGWYIVFSRPNE-NSHDSACASA-N 0 0 179.263 2.508 10 30 AFEERN C=C(CC)CSCCC1(O)CC1 307948502 572823693 /nfs/dbraw/zinc/82/36/93/572823693.db2.gz LXSMWGXPFZAEGQ-UHFFFAOYSA-N 0 0 186.320 2.601 10 30 AFEERN CCC(CC)=NN[C@H](C)C(C)C 307948830 572823709 /nfs/dbraw/zinc/82/37/09/572823709.db2.gz MHZIIAFBUIWZPO-SECBINFHSA-N 0 0 170.300 2.797 10 30 AFEERN C=C(C)Cn1ccc(C(=O)CC)c1 85838466 572823817 /nfs/dbraw/zinc/82/38/17/572823817.db2.gz FBHGRMLFBQNFAM-UHFFFAOYSA-N 0 0 177.247 2.657 10 30 AFEERN C=C([C@@H](O)C[C@H](C)CC)C(F)(F)F 308140124 572823933 /nfs/dbraw/zinc/82/39/33/572823933.db2.gz KNGSHPJEDWUUET-SVRRBLITSA-N 0 0 196.212 2.902 10 30 AFEERN C=CCCn1ccc(C(=O)CC)c1 85838411 572824053 /nfs/dbraw/zinc/82/40/53/572824053.db2.gz XZYJBJQTWCGZOH-UHFFFAOYSA-N 0 0 177.247 2.657 10 30 AFEERN C=CCC(=O)c1cccc(F)c1OC 75121409 572824115 /nfs/dbraw/zinc/82/41/15/572824115.db2.gz SNYHSWDHIOHASP-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN CCc1ccc(C(=O)[C@H](C#N)CC)o1 85826896 572824138 /nfs/dbraw/zinc/82/41/38/572824138.db2.gz XBJPJWAVVSPSRQ-QMMMGPOBSA-N 0 0 191.230 2.574 10 30 AFEERN C=CC[C@]1(C)C=C(CO)CC[C@H]1C 306933565 572827750 /nfs/dbraw/zinc/82/77/50/572827750.db2.gz GALLHSCHXYDYFH-ZYHUDNBSSA-N 0 0 180.291 2.917 10 30 AFEERN C=C(C)Cn1ccc([C@H](O)CC)c1 85838821 572824226 /nfs/dbraw/zinc/82/42/26/572824226.db2.gz WULGWYIVFSRPNE-LLVKDONJSA-N 0 0 179.263 2.508 10 30 AFEERN C=C(Cl)Cn1ccc(C(=O)CC)c1 85838470 572824412 /nfs/dbraw/zinc/82/44/12/572824412.db2.gz RHBMMWQCGUSUPY-UHFFFAOYSA-N 0 0 197.665 2.833 10 30 AFEERN O=C1CCCC2=C1CCC=CC=C2 238575540 572824471 /nfs/dbraw/zinc/82/44/71/572824471.db2.gz PABRGAVNESTKPJ-UHFFFAOYSA-N 0 0 174.243 2.942 10 30 AFEERN C[C@H](C#N)N1CCC[C@H]2CCCC[C@@H]21 49932618 572824483 /nfs/dbraw/zinc/82/44/83/572824483.db2.gz QVCMLGWRMKZVDS-UTUOFQBUSA-N 0 0 192.306 2.553 10 30 AFEERN C=C(Cl)Cn1ccc([C@H](O)CC)c1 85839070 572824720 /nfs/dbraw/zinc/82/47/20/572824720.db2.gz RARGUJSZXPYBRJ-SNVBAGLBSA-N 0 0 199.681 2.684 10 30 AFEERN C=C(CC)Cn1ccc([C@@H](C)O)c1 85833873 572824786 /nfs/dbraw/zinc/82/47/86/572824786.db2.gz IDKNOKBEGQTNIF-SNVBAGLBSA-N 0 0 179.263 2.508 10 30 AFEERN C=CCCCn1ccc([C@H](C)O)c1 85834474 572824827 /nfs/dbraw/zinc/82/48/27/572824827.db2.gz SKZLWKFTWLCWBE-JTQLQIEISA-N 0 0 179.263 2.508 10 30 AFEERN C=CCC[C@@H](O)c1ccoc1Cl 236543227 572827725 /nfs/dbraw/zinc/82/77/25/572827725.db2.gz CIPDEKPQWWJNCO-MRVPVSSYSA-N 0 0 186.638 2.933 10 30 AFEERN C=C(CC)Cn1ccc([C@H](O)CC)c1 85838811 572825051 /nfs/dbraw/zinc/82/50/51/572825051.db2.gz UFIIUHMLJYZWTE-GFCCVEGCSA-N 0 0 193.290 2.898 10 30 AFEERN C=C(CC)Cn1ccc([C@@H](O)CC)c1 85838808 572825063 /nfs/dbraw/zinc/82/50/63/572825063.db2.gz UFIIUHMLJYZWTE-LBPRGKRZSA-N 0 0 193.290 2.898 10 30 AFEERN C=CCCCn1ccc([C@@H](C)O)c1 85834477 572825108 /nfs/dbraw/zinc/82/51/08/572825108.db2.gz SKZLWKFTWLCWBE-SNVBAGLBSA-N 0 0 179.263 2.508 10 30 AFEERN C=CCC[C@@H](O)c1ncccc1Cl 236543285 572825145 /nfs/dbraw/zinc/82/51/45/572825145.db2.gz YDPWDCZXXADNKH-SECBINFHSA-N 0 0 197.665 2.735 10 30 AFEERN C=CCCCCC[C@H](O)C(F)F 236534086 572825310 /nfs/dbraw/zinc/82/53/10/572825310.db2.gz ZJTFJXYCBCTOEV-QMMMGPOBSA-N 0 0 178.222 2.749 10 30 AFEERN CCOc1ccc(CC)cc1C#N 71463980 572825335 /nfs/dbraw/zinc/82/53/35/572825335.db2.gz AOWZEBTUIVGSAC-UHFFFAOYSA-N 0 0 175.231 2.519 10 30 AFEERN C=CCC[C@H](O)c1ccc(Cl)o1 236529810 572825464 /nfs/dbraw/zinc/82/54/64/572825464.db2.gz PUGHHEPYPYWHCO-ZETCQYMHSA-N 0 0 186.638 2.933 10 30 AFEERN N#Cc1ccc(CNc2ccco2)cc1 238574476 572825527 /nfs/dbraw/zinc/82/55/27/572825527.db2.gz IWUOEFSKRIXLAP-UHFFFAOYSA-N 0 0 198.225 2.763 10 30 AFEERN C=CC[C@@H]1CCC[C@H]2C[C@H]2C1=O 306801486 572825689 /nfs/dbraw/zinc/82/56/89/572825689.db2.gz RBXUSBLHXKKGCX-KXUCPTDWSA-N 0 0 164.248 2.568 10 30 AFEERN C=CCCCCC[C@H](O)[C@H]1CCOC1 236536769 572825853 /nfs/dbraw/zinc/82/58/53/572825853.db2.gz SVNPGOUEBYNFGY-RYUDHWBXSA-N 0 0 198.306 2.520 10 30 AFEERN C=CCC[C@H](O)c1ncccc1Cl 236530005 572825934 /nfs/dbraw/zinc/82/59/34/572825934.db2.gz YDPWDCZXXADNKH-VIFPVBQESA-N 0 0 197.665 2.735 10 30 AFEERN C=C(C)CCNc1ncccc1C 306829014 572826009 /nfs/dbraw/zinc/82/60/09/572826009.db2.gz JDWJZSHRZCMRLS-UHFFFAOYSA-N 0 0 176.263 2.768 10 30 AFEERN CCN(C)N=C[C@H](C)CC(C)C 307950035 572826099 /nfs/dbraw/zinc/82/60/99/572826099.db2.gz NHOMSOLXTHHUPL-SNVBAGLBSA-N 0 0 170.300 2.606 10 30 AFEERN Cc1cc(C#N)c(O)c(C(C)(C)C)c1 71464315 572826178 /nfs/dbraw/zinc/82/61/78/572826178.db2.gz WLZZPDZVTNXOOE-UHFFFAOYSA-N 0 0 189.258 2.870 10 30 AFEERN C=C1CCC([C@H]2CCOC2)CC1 306972335 572826240 /nfs/dbraw/zinc/82/62/40/572826240.db2.gz KUNIBBOXHGQQPD-NSHDSACASA-N 0 0 166.264 2.769 10 30 AFEERN C=CC[C@@H]1CCCCCC[C@H]1O 306924527 572827746 /nfs/dbraw/zinc/82/77/46/572827746.db2.gz JPRQDUCMXUHHOI-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)c1ccc2c(c1)[C@H](C#N)CN2 71486921 572827753 /nfs/dbraw/zinc/82/77/53/572827753.db2.gz AUJSUMVSJMIPMO-SNVBAGLBSA-N 0 0 186.258 2.843 10 30 AFEERN C=C1CCC[C@]2(C)C[C@H](O)CC[C@H]12 306934882 572826266 /nfs/dbraw/zinc/82/62/66/572826266.db2.gz GUUPJPXMIGZKFQ-IJLUTSLNSA-N 0 0 180.291 2.894 10 30 AFEERN C=CCC[C@H](O)c1ccoc1Cl 236529959 572826296 /nfs/dbraw/zinc/82/62/96/572826296.db2.gz CIPDEKPQWWJNCO-QMMMGPOBSA-N 0 0 186.638 2.933 10 30 AFEERN C=CCC[C@@H](O)c1ccc(Cl)o1 236543075 572826479 /nfs/dbraw/zinc/82/64/79/572826479.db2.gz PUGHHEPYPYWHCO-SSDOTTSWSA-N 0 0 186.638 2.933 10 30 AFEERN C=CCn1ccc([C@@H](O)CCC)c1 85841362 572826489 /nfs/dbraw/zinc/82/64/89/572826489.db2.gz DENPBLXLZSBAML-NSHDSACASA-N 0 0 179.263 2.508 10 30 AFEERN C=CCCn1ccc([C@H](O)C(C)C)c1 85843092 572826693 /nfs/dbraw/zinc/82/66/93/572826693.db2.gz XTELFTOJWROHMU-GFCCVEGCSA-N 0 0 193.290 2.754 10 30 AFEERN C=C(C)CNN=C(C(C)C)C1CC1 308140904 572826810 /nfs/dbraw/zinc/82/68/10/572826810.db2.gz ILEVWUNRFJRLOH-UHFFFAOYSA-N 0 0 180.295 2.574 10 30 AFEERN C=C(C)Cn1ccc([C@@H](O)C2CC2)c1 85844794 572826950 /nfs/dbraw/zinc/82/69/50/572826950.db2.gz NMZJQIVOJHOQNP-LBPRGKRZSA-N 0 0 191.274 2.508 10 30 AFEERN C=CCCCCC[C@H](O)[C@H]1CCCO1 236536713 572827241 /nfs/dbraw/zinc/82/72/41/572827241.db2.gz WJFCTTNVUDPUDY-NWDGAFQWSA-N 0 0 198.306 2.663 10 30 AFEERN C=CCCn1ccc(C(=O)C(C)C)c1 85842746 572827253 /nfs/dbraw/zinc/82/72/53/572827253.db2.gz ROJUQNASQAINCS-UHFFFAOYSA-N 0 0 191.274 2.903 10 30 AFEERN CCCOc1c(C)ccc(C)c1C#N 71457388 572827294 /nfs/dbraw/zinc/82/72/94/572827294.db2.gz JQSATZXTNZTFEJ-UHFFFAOYSA-N 0 0 189.258 2.964 10 30 AFEERN C=CCCCCC[C@@H]1COCC[C@H]1O 236532949 572827309 /nfs/dbraw/zinc/82/73/09/572827309.db2.gz SRXZNSALNGWZJE-VXGBXAGGSA-N 0 0 198.306 2.520 10 30 AFEERN C=C1CC[C@@H]([C@H](C)CO)C1(C)C 306927932 572827373 /nfs/dbraw/zinc/82/73/73/572827373.db2.gz WEMFXCFOVMLUPA-SCZZXKLOSA-N 0 0 168.280 2.607 10 30 AFEERN C=C(C)Cn1ccc(C(=O)C(C)C)c1 85842802 572827859 /nfs/dbraw/zinc/82/78/59/572827859.db2.gz IECLTFUUZFNIIZ-UHFFFAOYSA-N 0 0 191.274 2.903 10 30 AFEERN C=C1C[C@H](O)CC[C@H]2CCCC[C@H]12 306991390 572827661 /nfs/dbraw/zinc/82/76/61/572827661.db2.gz VBXSLXHDALVIOR-IJLUTSLNSA-N 0 0 180.291 2.894 10 30 AFEERN CCO[C@H]1C[C@H]1C#CC1=CCCCC1 306968314 572827709 /nfs/dbraw/zinc/82/77/09/572827709.db2.gz ODINTRPCMSFYMQ-OLZOCXBDSA-N 0 0 190.286 2.915 10 30 AFEERN C=CCc1c(Cl)cnn1CCC 126100018 572827761 /nfs/dbraw/zinc/82/77/61/572827761.db2.gz INHBBYONPIKBRH-UHFFFAOYSA-N 0 0 184.670 2.675 10 30 AFEERN CCc1cc(C)c(C)c(C#N)c1 198928418 572828056 /nfs/dbraw/zinc/82/80/56/572828056.db2.gz ONJSYKXBQAJICG-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN C=CCSc1nc(C)c(C=O)s1 238566078 572828067 /nfs/dbraw/zinc/82/80/67/572828067.db2.gz XIUYUXIXVQEDAA-UHFFFAOYSA-N 0 0 199.300 2.542 10 30 AFEERN C=CCCn1ccc([C@@H](O)C(C)C)c1 85843088 572828613 /nfs/dbraw/zinc/82/86/13/572828613.db2.gz XTELFTOJWROHMU-LBPRGKRZSA-N 0 0 193.290 2.754 10 30 AFEERN C=CCCCn1ccc([C@H](O)CC)c1 85839231 572828179 /nfs/dbraw/zinc/82/81/79/572828179.db2.gz UUBYZSFFBGFUDM-GFCCVEGCSA-N 0 0 193.290 2.898 10 30 AFEERN C#CCCC[C@H](O)c1ccc(Cl)o1 236530787 572828275 /nfs/dbraw/zinc/82/82/75/572828275.db2.gz SLTHUPMPEZRWMD-QMMMGPOBSA-N 0 0 198.649 2.770 10 30 AFEERN C=CCCn1ccc([C@@H](O)C2CC2)c1 85844781 572828257 /nfs/dbraw/zinc/82/82/57/572828257.db2.gz OGKRUNXPPIWTEI-LBPRGKRZSA-N 0 0 191.274 2.508 10 30 AFEERN C#CCCC[C@H](O)c1ccoc1Cl 236530935 572828282 /nfs/dbraw/zinc/82/82/82/572828282.db2.gz BZRWYNAYPRBBSF-VIFPVBQESA-N 0 0 198.649 2.770 10 30 AFEERN C=CCC(=O)c1ccc2c(ccn2C)c1 75125034 572828315 /nfs/dbraw/zinc/82/83/15/572828315.db2.gz WZBYXVXVGQHLSK-UHFFFAOYSA-N 0 0 199.253 2.937 10 30 AFEERN C=C(C)Cn1ccc([C@H](O)C(C)C)c1 85843111 572828417 /nfs/dbraw/zinc/82/84/17/572828417.db2.gz BYLHHPJXFIAEQS-GFCCVEGCSA-N 0 0 193.290 2.754 10 30 AFEERN N#Cc1c[nH]c2ccc(OC3CC3)cc12 238572539 572828509 /nfs/dbraw/zinc/82/85/09/572828509.db2.gz DQTVOSQNQCHSLD-UHFFFAOYSA-N 0 0 198.225 2.581 10 30 AFEERN C=C[C@@H]([NH3+])c1cc(O)c2ccccc2c1 238580050 572828568 /nfs/dbraw/zinc/82/85/68/572828568.db2.gz MXWDZVKQPZUROS-GFCCVEGCSA-N 0 0 199.253 2.731 10 30 AFEERN C=CCn1ccc(C(=O)CCC)c1 85840940 572828803 /nfs/dbraw/zinc/82/88/03/572828803.db2.gz MTWPPPJVIBIFNL-UHFFFAOYSA-N 0 0 177.247 2.657 10 30 AFEERN C#C[C@H](O)CCC=C1CCCCC1 306918535 572828813 /nfs/dbraw/zinc/82/88/13/572828813.db2.gz CNUNJMSUJDREPC-LBPRGKRZSA-N 0 0 178.275 2.651 10 30 AFEERN C=CCCCCC[C@H]1COCC[C@@H]1O 236555834 572829640 /nfs/dbraw/zinc/82/96/40/572829640.db2.gz SRXZNSALNGWZJE-RYUDHWBXSA-N 0 0 198.306 2.520 10 30 AFEERN C=CCn1ccc(C(=O)C(C)C)c1 85842631 572828894 /nfs/dbraw/zinc/82/88/94/572828894.db2.gz NGPGOCJGJLCVLH-UHFFFAOYSA-N 0 0 177.247 2.513 10 30 AFEERN C=C(C)[C@@H]1[C@@H]2[C@H](CC[C@H]1O)C2(C)C 306946886 572828901 /nfs/dbraw/zinc/82/89/01/572828901.db2.gz NVRZIBZTNDCJJC-VLEAKVRGSA-N 0 0 180.291 2.606 10 30 AFEERN C=CCn1ccc([C@H](O)CCC)c1 85841365 572828983 /nfs/dbraw/zinc/82/89/83/572828983.db2.gz DENPBLXLZSBAML-LLVKDONJSA-N 0 0 179.263 2.508 10 30 AFEERN C=C(C)Cn1ccc([C@H](O)C2CC2)c1 85844792 572829031 /nfs/dbraw/zinc/82/90/31/572829031.db2.gz NMZJQIVOJHOQNP-GFCCVEGCSA-N 0 0 191.274 2.508 10 30 AFEERN C=CCc1cccc2nc(C)oc12 306937649 572829036 /nfs/dbraw/zinc/82/90/36/572829036.db2.gz LTILFBGYNKNRSR-UHFFFAOYSA-N 0 0 173.215 2.865 10 30 AFEERN C=CCCCCC[C@@H](O)c1ncc[nH]1 236550473 572829248 /nfs/dbraw/zinc/82/92/48/572829248.db2.gz SECVYTWQWADRQF-SNVBAGLBSA-N 0 0 194.278 2.580 10 30 AFEERN CCO[C@H]1C[C@@H]1C#CC1=CCCCC1 306968316 572829250 /nfs/dbraw/zinc/82/92/50/572829250.db2.gz ODINTRPCMSFYMQ-STQMWFEESA-N 0 0 190.286 2.915 10 30 AFEERN C=CCCCCC[C@@H](O)[C@H]1CCOC1 236549044 572829369 /nfs/dbraw/zinc/82/93/69/572829369.db2.gz SVNPGOUEBYNFGY-NWDGAFQWSA-N 0 0 198.306 2.520 10 30 AFEERN CC(C)=C[C@@H]1C[C@H]1C#C[C@@H](O)C(C)C 306923840 572829540 /nfs/dbraw/zinc/82/95/40/572829540.db2.gz HBCTZLGYEDTALE-JHJVBQTASA-N 0 0 192.302 2.609 10 30 AFEERN C=CCCCCC[C@@H](O)C(F)F 236547202 572829555 /nfs/dbraw/zinc/82/95/55/572829555.db2.gz ZJTFJXYCBCTOEV-MRVPVSSYSA-N 0 0 178.222 2.749 10 30 AFEERN CC[C@H](C)[C@](C)(O)[C@](C)(C#N)CC 85882087 572829596 /nfs/dbraw/zinc/82/95/96/572829596.db2.gz MZKBJJGPJLBBNB-DCAQKATOSA-N 0 0 183.295 2.723 10 30 AFEERN CCc1cccc2c1NC[C@@H]2CC#N 71487056 572829597 /nfs/dbraw/zinc/82/95/97/572829597.db2.gz BEZAAXAFEDOBDW-JTQLQIEISA-N 0 0 186.258 2.672 10 30 AFEERN CCc1ccc2c(c1)[C@@H](CC#N)CN2 71487011 572829721 /nfs/dbraw/zinc/82/97/21/572829721.db2.gz STRRJJIBGGVFRK-JTQLQIEISA-N 0 0 186.258 2.672 10 30 AFEERN C=CCCCCC[C@@H](O)[C@@H]1CCCO1 236548558 572829775 /nfs/dbraw/zinc/82/97/75/572829775.db2.gz WJFCTTNVUDPUDY-NEPJUHHUSA-N 0 0 198.306 2.663 10 30 AFEERN C=C(C)[C@H]1CC[C@@H](C)/C(=C/CO)C1 211042783 572829781 /nfs/dbraw/zinc/82/97/81/572829781.db2.gz DPVWONXBGUNKGT-HPTVMLIKSA-N 0 0 180.291 2.917 10 30 AFEERN C=C(C)[C@H](O)[C@H](C)C=C(C)C 306981854 572830126 /nfs/dbraw/zinc/83/01/26/572830126.db2.gz INYHKFGIAWBMNG-ZJUUUORDSA-N 0 0 154.253 2.526 10 30 AFEERN C=CCCOc1ccc(C=O)cc1C 85873936 572830134 /nfs/dbraw/zinc/83/01/34/572830134.db2.gz YCMYSONXGWRUNI-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN CCc1ccc2c(c1)[C@H](CC#N)CN2 71487008 572830253 /nfs/dbraw/zinc/83/02/53/572830253.db2.gz STRRJJIBGGVFRK-SNVBAGLBSA-N 0 0 186.258 2.672 10 30 AFEERN ON=C[C@H]1C[C@H]1c1ccc(Cl)cc1 713762901 572830270 /nfs/dbraw/zinc/83/02/70/572830270.db2.gz QXXJOCKJLBPSIQ-SCZZXKLOSA-N 0 0 195.649 2.904 10 30 AFEERN CC[C@H](C)[C@@](C)(O)[C@](C)(C#N)CC 85882092 572830284 /nfs/dbraw/zinc/83/02/84/572830284.db2.gz MZKBJJGPJLBBNB-GARJFASQSA-N 0 0 183.295 2.723 10 30 AFEERN C=CCCOC(=O)[C@H](C)CC(C)C 308141709 572830296 /nfs/dbraw/zinc/83/02/96/572830296.db2.gz IZCYZSUXHJCIMX-SNVBAGLBSA-N 0 0 184.279 2.788 10 30 AFEERN C=CCCCCC[C@@H](O)[C@@H]1CCOC1 236548619 572830676 /nfs/dbraw/zinc/83/06/76/572830676.db2.gz SVNPGOUEBYNFGY-VXGBXAGGSA-N 0 0 198.306 2.520 10 30 AFEERN CC(C)c1cccc2c1NC[C@@H]2C#N 71486969 572830569 /nfs/dbraw/zinc/83/05/69/572830569.db2.gz HRUBEDJEZVDCKI-VIFPVBQESA-N 0 0 186.258 2.843 10 30 AFEERN CCCC[C@@H](C)CC#N 77302935 572830650 /nfs/dbraw/zinc/83/06/50/572830650.db2.gz FNVNYWLQBGDZSC-MRVPVSSYSA-N 0 0 125.215 2.726 10 30 AFEERN ON=C[C@H]1C[C@@H]1c1ccc(Cl)cc1 713762895 572830724 /nfs/dbraw/zinc/83/07/24/572830724.db2.gz QXXJOCKJLBPSIQ-PSASIEDQSA-N 0 0 195.649 2.904 10 30 AFEERN C=CCCCOc1cccc(F)n1 85867063 572830792 /nfs/dbraw/zinc/83/07/92/572830792.db2.gz GSRQUDOFHYDJJR-UHFFFAOYSA-N 0 0 181.210 2.566 10 30 AFEERN CCC[C@](O)(CC#N)c1ccccc1 85877747 572830853 /nfs/dbraw/zinc/83/08/53/572830853.db2.gz OXBYBGPGVUINOX-LBPRGKRZSA-N 0 0 189.258 2.588 10 30 AFEERN C1CCCC(OCC[C@@H]2CO2)CC1 308142154 572830942 /nfs/dbraw/zinc/83/09/42/572830942.db2.gz URGFCCXFFUIKGR-LLVKDONJSA-N 0 0 184.279 2.515 10 30 AFEERN CC[C@@](C)(C#N)[C@@](O)(CC)C(C)C 85882236 572831113 /nfs/dbraw/zinc/83/11/13/572831113.db2.gz IOUITTGRWQEQQM-WDEREUQCSA-N 0 0 183.295 2.723 10 30 AFEERN Cc1[nH]c2ccccc2c1[C@@H]1CO1 71496734 572831331 /nfs/dbraw/zinc/83/13/31/572831331.db2.gz BZTDLYVDPZSTMW-JTQLQIEISA-N 0 0 173.215 2.548 10 30 AFEERN CCCCCCCOCCCCO 85878644 572831452 /nfs/dbraw/zinc/83/14/52/572831452.db2.gz RUKKFIKRYMMKPP-UHFFFAOYSA-N 0 0 188.311 2.746 10 30 AFEERN C#CCCC[C@@H](O)c1ccoc1Cl 236544297 572831536 /nfs/dbraw/zinc/83/15/36/572831536.db2.gz BZRWYNAYPRBBSF-SECBINFHSA-N 0 0 198.649 2.770 10 30 AFEERN C=CCCCOCCC(C)(C)C#N 85867256 572831707 /nfs/dbraw/zinc/83/17/07/572831707.db2.gz VPNVCWUOXJDYOT-UHFFFAOYSA-N 0 0 181.279 2.909 10 30 AFEERN CC(C)C/C=N\[S@](=O)C(C)(C)C 118263411 572831778 /nfs/dbraw/zinc/83/17/78/572831778.db2.gz SURNLDMUXHLWDG-UMAGTOLTSA-N 0 0 189.324 2.566 10 30 AFEERN C=C(CC)CN(C)c1nccs1 307952241 572831795 /nfs/dbraw/zinc/83/17/95/572831795.db2.gz OUXIJLYUNGWMPJ-UHFFFAOYSA-N 0 0 182.292 2.546 10 30 AFEERN C=C[C@H](C)Nc1ccc(OC)c(C)c1 234872657 572831799 /nfs/dbraw/zinc/83/17/99/572831799.db2.gz VBZWFCRGDUTTQF-JTQLQIEISA-N 0 0 191.274 2.990 10 30 AFEERN CC(C)=C[C@@H]1C[C@@H]1C#C[C@H](O)C(C)C 306923842 572831899 /nfs/dbraw/zinc/83/18/99/572831899.db2.gz HBCTZLGYEDTALE-XQQFMLRXSA-N 0 0 192.302 2.609 10 30 AFEERN C=C1[C@H](CC)[C@@]12CCCC[C@@H]2O 306975776 572831929 /nfs/dbraw/zinc/83/19/29/572831929.db2.gz YQCMJDKCVVKNIT-GARJFASQSA-N 0 0 166.264 2.504 10 30 AFEERN C=CCCCCC[C@@H](O)[C@H]1CCCO1 236548988 572831950 /nfs/dbraw/zinc/83/19/50/572831950.db2.gz WJFCTTNVUDPUDY-VXGBXAGGSA-N 0 0 198.306 2.663 10 30 AFEERN C1CCCC(OCC[C@H]2CO2)CC1 308142155 572832200 /nfs/dbraw/zinc/83/22/00/572832200.db2.gz URGFCCXFFUIKGR-NSHDSACASA-N 0 0 184.279 2.515 10 30 AFEERN CC#CCC[C@H](O)C1(CCC)CC1 308142293 572832237 /nfs/dbraw/zinc/83/22/37/572832237.db2.gz MAJNMPHSVXPEPI-NSHDSACASA-N 0 0 180.291 2.731 10 30 AFEERN CCC[C@@](O)(CC#N)c1ccccc1 85877742 572832290 /nfs/dbraw/zinc/83/22/90/572832290.db2.gz OXBYBGPGVUINOX-GFCCVEGCSA-N 0 0 189.258 2.588 10 30 AFEERN C=CCCCOCCCCC#N 85867238 572832336 /nfs/dbraw/zinc/83/23/36/572832336.db2.gz RYLSIZJONPGHAK-UHFFFAOYSA-N 0 0 167.252 2.663 10 30 AFEERN C#CCCC(=O)c1cccc(F)c1C 306992149 572832370 /nfs/dbraw/zinc/83/23/70/572832370.db2.gz VYVYRXJTZGHBIL-UHFFFAOYSA-N 0 0 190.217 2.730 10 30 AFEERN C=CCCC(=O)c1cncc(Cl)c1 307952539 572832392 /nfs/dbraw/zinc/83/23/92/572832392.db2.gz OCZNMFNNPQXJTA-UHFFFAOYSA-N 0 0 195.649 2.884 10 30 AFEERN C#CC[N@@H+](C)[C@@H](C)c1ccc(C)s1 306995030 572832472 /nfs/dbraw/zinc/83/24/72/572832472.db2.gz OZJNNFRFZJVBNN-JTQLQIEISA-N 0 0 193.315 2.683 10 30 AFEERN CC(C)=C[C@@H]1C[C@H]1C#C[C@H](O)C(C)C 306923841 572834355 /nfs/dbraw/zinc/83/43/55/572834355.db2.gz HBCTZLGYEDTALE-UPJWGTAASA-N 0 0 192.302 2.609 10 30 AFEERN ON=C[C@@H]1C[C@H]1c1ccc(Cl)cc1 713762906 572832610 /nfs/dbraw/zinc/83/26/10/572832610.db2.gz QXXJOCKJLBPSIQ-WPRPVWTQSA-N 0 0 195.649 2.904 10 30 AFEERN ON=C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 713762903 572832884 /nfs/dbraw/zinc/83/28/84/572832884.db2.gz QXXJOCKJLBPSIQ-WCBMZHEXSA-N 0 0 195.649 2.904 10 30 AFEERN C=C(C)c1n[nH]c2ccccc12 306922760 572832974 /nfs/dbraw/zinc/83/29/74/572832974.db2.gz WVGQOVTWWWPZPF-UHFFFAOYSA-N 0 0 158.204 2.596 10 30 AFEERN CCCCC[C@@H](O)[C@](C)(C#N)CC 85892581 572834621 /nfs/dbraw/zinc/83/46/21/572834621.db2.gz IELDYRAIPSXUTE-MNOVXSKESA-N 0 0 183.295 2.867 10 30 AFEERN CC(CC1CC1)=NOC1CCC1 307955152 572833034 /nfs/dbraw/zinc/83/30/34/572833034.db2.gz DWKVVGLHTNCNHU-UHFFFAOYSA-N 0 0 167.252 2.732 10 30 AFEERN CC[C@H](C#N)N1C[C@H]2CCCCC[C@@H]21 687932868 572834728 /nfs/dbraw/zinc/83/47/28/572834728.db2.gz NDTFIXNUYPSXPG-UTUOFQBUSA-N 0 0 192.306 2.553 10 30 AFEERN C=C1C[C@H]1CC[C@H]1CCC[C@H]1O 306948225 572833103 /nfs/dbraw/zinc/83/31/03/572833103.db2.gz SCRUZOAUJIBBAF-GMTAPVOTSA-N 0 0 166.264 2.504 10 30 AFEERN C=C1[C@H]2CC[C@@]3(CCCC[C@@H]3C2)[C@@H]1O 306953900 572833276 /nfs/dbraw/zinc/83/32/76/572833276.db2.gz IZNOZZHFOICWIT-UMSGYPCISA-N 0 0 192.302 2.894 10 30 AFEERN C#CCCCC[C@@H]1CCCCC1=O 238582428 572833284 /nfs/dbraw/zinc/83/32/84/572833284.db2.gz BDCWZRGOPFDBLO-LLVKDONJSA-N 0 0 178.275 2.939 10 30 AFEERN N#Cc1ccccc1[C@@H]1CCCCC1=O 238583012 572833332 /nfs/dbraw/zinc/83/33/32/572833332.db2.gz FSFDJMMWLGVFDK-LBPRGKRZSA-N 0 0 199.253 2.785 10 30 AFEERN CCC(CC)[C@@H](O)[C@@](C)(C#N)CC 85887188 572833392 /nfs/dbraw/zinc/83/33/92/572833392.db2.gz ROIDWOOIZXFRFE-GHMZBOCLSA-N 0 0 183.295 2.723 10 30 AFEERN C(=NOC1CCC1)C1CCCC1 307955166 572833451 /nfs/dbraw/zinc/83/34/51/572833451.db2.gz DXGMUYMQOPBHPC-UHFFFAOYSA-N 0 0 167.252 2.732 10 30 AFEERN CCCCC[C@@H](O)C1(C#N)CCC1 85892652 572833457 /nfs/dbraw/zinc/83/34/57/572833457.db2.gz CUWSYYRAWMSCPI-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN CC[C@H]1CCC(C=O)=C(O)C1(C)C 118423070 572834952 /nfs/dbraw/zinc/83/49/52/572834952.db2.gz XPHVJMBRWHNMMF-FUOZMLNRSA-N 0 0 182.263 2.844 10 30 AFEERN CC[C@@](C)(C#N)[C@H](O)CC(C)(C)C 85892729 572833692 /nfs/dbraw/zinc/83/36/92/572833692.db2.gz ZLHJSOXWOGWEMI-KOLCDFICSA-N 0 0 183.295 2.723 10 30 AFEERN CC[C@H](C#N)N1C[C@H]2CCCCC[C@H]21 687932861 572833753 /nfs/dbraw/zinc/83/37/53/572833753.db2.gz NDTFIXNUYPSXPG-IJLUTSLNSA-N 0 0 192.306 2.553 10 30 AFEERN CCC[C@H](C)[C@H](O)[C@](C)(C#N)CC 85892158 572833809 /nfs/dbraw/zinc/83/38/09/572833809.db2.gz XDSLGXIKOZPLAM-DCAQKATOSA-N 0 0 183.295 2.723 10 30 AFEERN CCCCCC[C@@H](O)[C@@H](C#N)CC 85892069 572834301 /nfs/dbraw/zinc/83/43/01/572834301.db2.gz HGNPSAPIKDLIFG-GHMZBOCLSA-N 0 0 183.295 2.867 10 30 AFEERN Cc1ccc(C#Cc2ccncc2)s1 306900862 572833872 /nfs/dbraw/zinc/83/38/72/572833872.db2.gz MVYCOVFNRXJUBZ-UHFFFAOYSA-N 0 0 199.278 2.851 10 30 AFEERN CCC(CC)[C@@H](O)[C@](C)(C#N)CC 85887179 572833883 /nfs/dbraw/zinc/83/38/83/572833883.db2.gz ROIDWOOIZXFRFE-MNOVXSKESA-N 0 0 183.295 2.723 10 30 AFEERN CCCC[C@H](O)[C@]1(C#N)CC[C@H](C)C1 85891643 572834051 /nfs/dbraw/zinc/83/40/51/572834051.db2.gz UAKNOLGYNVAYPJ-SDDRHHMPSA-N 0 0 195.306 2.867 10 30 AFEERN CCCCCC[C@H](O)[C@H](C#N)CC 85892056 572834385 /nfs/dbraw/zinc/83/43/85/572834385.db2.gz HGNPSAPIKDLIFG-QWRGUYRKSA-N 0 0 183.295 2.867 10 30 AFEERN N#Cc1cccc([C@@H]2CCCCC2=O)c1 238582990 572834971 /nfs/dbraw/zinc/83/49/71/572834971.db2.gz ZXMYCNGSWYMPLX-LBPRGKRZSA-N 0 0 199.253 2.785 10 30 AFEERN CCCCC[C@H](O)[C@](C)(C#N)CC 85892577 572834424 /nfs/dbraw/zinc/83/44/24/572834424.db2.gz IELDYRAIPSXUTE-QWRGUYRKSA-N 0 0 183.295 2.867 10 30 AFEERN CC[C@H](C#N)N1C[C@@H]2CCCCC[C@H]21 687932865 572834522 /nfs/dbraw/zinc/83/45/22/572834522.db2.gz NDTFIXNUYPSXPG-QJPTWQEYSA-N 0 0 192.306 2.553 10 30 AFEERN CCC[C@@H](C)[C@@H](O)C1(C#N)CCCC1 85892206 572834685 /nfs/dbraw/zinc/83/46/85/572834685.db2.gz DFQLLBBBYZZVLT-GHMZBOCLSA-N 0 0 195.306 2.867 10 30 AFEERN C#CCCCC[C@H]1CCCC1=O 238585300 572834687 /nfs/dbraw/zinc/83/46/87/572834687.db2.gz DBTBGHCYDOIBRC-JTQLQIEISA-N 0 0 164.248 2.549 10 30 AFEERN CCC(CC)[C@@H](O)C1(C#N)CCCC1 85887208 572834776 /nfs/dbraw/zinc/83/47/76/572834776.db2.gz VOZRVSHJCDTPQZ-LLVKDONJSA-N 0 0 195.306 2.867 10 30 AFEERN CCCC[C@H](O)[C@@]1(C#N)CC[C@H](C)C1 85891648 572834836 /nfs/dbraw/zinc/83/48/36/572834836.db2.gz UAKNOLGYNVAYPJ-SRVKXCTJSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCCCC[C@@H]1COCC[C@@H]1O 236561105 572834837 /nfs/dbraw/zinc/83/48/37/572834837.db2.gz SRXZNSALNGWZJE-NEPJUHHUSA-N 0 0 198.306 2.520 10 30 AFEERN CCCCCC[C@H](O)C(C)(C)C#N 85892004 572835701 /nfs/dbraw/zinc/83/57/01/572835701.db2.gz LMKMPNWZWFEDFQ-JTQLQIEISA-N 0 0 183.295 2.867 10 30 AFEERN CCC(CC)[C@H](O)[C@](C)(C#N)CC 85887175 572834996 /nfs/dbraw/zinc/83/49/96/572834996.db2.gz ROIDWOOIZXFRFE-QWRGUYRKSA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@@H](C)[C@H](O)C1(C#N)CCCC1 85892198 572835034 /nfs/dbraw/zinc/83/50/34/572835034.db2.gz DFQLLBBBYZZVLT-MNOVXSKESA-N 0 0 195.306 2.867 10 30 AFEERN CCCCCC[C@@H](O)[C@H](C#N)CC 85892059 572835063 /nfs/dbraw/zinc/83/50/63/572835063.db2.gz HGNPSAPIKDLIFG-WDEREUQCSA-N 0 0 183.295 2.867 10 30 AFEERN C=CC[C@H]1CC[C@@H]2CC(=O)[C@H]3C[C@@]312 306957262 572835163 /nfs/dbraw/zinc/83/51/63/572835163.db2.gz STUJEXRIRFRHFA-BTQIBKBOSA-N 0 0 176.259 2.568 10 30 AFEERN CCCCC[C@H](O)C1(C#N)CCC1 85892649 572835210 /nfs/dbraw/zinc/83/52/10/572835210.db2.gz CUWSYYRAWMSCPI-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN CCC[C@H](C)[C@@H](O)C1(C#N)CCCC1 85892209 572835262 /nfs/dbraw/zinc/83/52/62/572835262.db2.gz DFQLLBBBYZZVLT-WDEREUQCSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@](C)(C#N)[C@@](O)(CC)C(C)C 85882239 572835265 /nfs/dbraw/zinc/83/52/65/572835265.db2.gz IOUITTGRWQEQQM-GHMZBOCLSA-N 0 0 183.295 2.723 10 30 AFEERN CCCCC[C@H](O)[C@@](C)(C#N)CC 85892584 572835267 /nfs/dbraw/zinc/83/52/67/572835267.db2.gz IELDYRAIPSXUTE-WDEREUQCSA-N 0 0 183.295 2.867 10 30 AFEERN CC[C@@](C)(C#N)[C@](O)(CC)C(C)C 85882243 572835297 /nfs/dbraw/zinc/83/52/97/572835297.db2.gz IOUITTGRWQEQQM-QWRGUYRKSA-N 0 0 183.295 2.723 10 30 AFEERN C=C(C)[C@]1(O)CC2CCC1CC2 306936943 572835336 /nfs/dbraw/zinc/83/53/36/572835336.db2.gz FMBANLOUNSDLOV-VQXHTEKXSA-N 0 0 166.264 2.504 10 30 AFEERN CCC[C@H](C)[C@@H](O)[C@](C)(C#N)CC 85892168 572835367 /nfs/dbraw/zinc/83/53/67/572835367.db2.gz XDSLGXIKOZPLAM-AXFHLTTASA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@H](O)[C@]1(C#N)CC[C@H](CC)C1 85890172 572835373 /nfs/dbraw/zinc/83/53/73/572835373.db2.gz ZVBYLXOSWRSOHT-SDDRHHMPSA-N 0 0 195.306 2.867 10 30 AFEERN CCCCCC[C@@H](O)C(C)(C)C#N 85892009 572835693 /nfs/dbraw/zinc/83/56/93/572835693.db2.gz LMKMPNWZWFEDFQ-SNVBAGLBSA-N 0 0 183.295 2.867 10 30 AFEERN CCC[C@H](C)[C@H](O)C1(C#N)CCCC1 85892204 572835449 /nfs/dbraw/zinc/83/54/49/572835449.db2.gz DFQLLBBBYZZVLT-QWRGUYRKSA-N 0 0 195.306 2.867 10 30 AFEERN C=C1[C@H]2CC[C@@]3(CCCC[C@H]3C2)[C@H]1O 306953903 572835451 /nfs/dbraw/zinc/83/54/51/572835451.db2.gz IZNOZZHFOICWIT-ZDEQEGDKSA-N 0 0 192.302 2.894 10 30 AFEERN CCCCC[C@@H](O)[C@@](C)(C#N)CC 85892590 572835511 /nfs/dbraw/zinc/83/55/11/572835511.db2.gz IELDYRAIPSXUTE-GHMZBOCLSA-N 0 0 183.295 2.867 10 30 AFEERN CC(C)=C[C@@H]1C[C@@H]1C#C[C@@H](O)C(C)C 306923843 572835513 /nfs/dbraw/zinc/83/55/13/572835513.db2.gz HBCTZLGYEDTALE-YNEHKIRRSA-N 0 0 192.302 2.609 10 30 AFEERN CC[C@](O)(C(C)C)[C@@](C)(C#N)CC 85882246 572835542 /nfs/dbraw/zinc/83/55/42/572835542.db2.gz IOUITTGRWQEQQM-MNOVXSKESA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@H](O)[C@@]1(C#N)CC[C@H](CC)C1 85890179 572835595 /nfs/dbraw/zinc/83/55/95/572835595.db2.gz ZVBYLXOSWRSOHT-SRVKXCTJSA-N 0 0 195.306 2.867 10 30 AFEERN CCC(CC)[C@H](O)[C@@](C)(C#N)CC 85887184 572835604 /nfs/dbraw/zinc/83/56/04/572835604.db2.gz ROIDWOOIZXFRFE-WDEREUQCSA-N 0 0 183.295 2.723 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)CC(C)(C)C 85892736 572835611 /nfs/dbraw/zinc/83/56/11/572835611.db2.gz ZLHJSOXWOGWEMI-MWLCHTKSSA-N 0 0 183.295 2.723 10 30 AFEERN C=CCc1cccnc1Br 306937050 572835653 /nfs/dbraw/zinc/83/56/53/572835653.db2.gz KHSPKYHFSGITBB-UHFFFAOYSA-N 0 0 198.063 2.573 10 30 AFEERN CCCCCC[C@H](O)[C@@H](C#N)CC 85892064 572835687 /nfs/dbraw/zinc/83/56/87/572835687.db2.gz HGNPSAPIKDLIFG-MNOVXSKESA-N 0 0 183.295 2.867 10 30 AFEERN C=CCCCCOC(=O)[C@H]1C[C@H]1C 308143321 572835733 /nfs/dbraw/zinc/83/57/33/572835733.db2.gz AEENEPXHQXJHHF-ZJUUUORDSA-N 0 0 182.263 2.542 10 30 AFEERN CC[C@H](C#N)N1C[C@@H]2CCCCC[C@@H]21 687932866 572835922 /nfs/dbraw/zinc/83/59/22/572835922.db2.gz NDTFIXNUYPSXPG-TUAOUCFPSA-N 0 0 192.306 2.553 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)CC(C)(C)C 85892745 572835957 /nfs/dbraw/zinc/83/59/57/572835957.db2.gz ZLHJSOXWOGWEMI-GXSJLCMTSA-N 0 0 183.295 2.723 10 30 AFEERN C=C(C)CC(=O)N[C@@H](C)CC(C)C 308148401 572835965 /nfs/dbraw/zinc/83/59/65/572835965.db2.gz MVVHKMTXJVNILD-JTQLQIEISA-N 0 0 183.295 2.503 10 30 AFEERN C=CC/C(C)=C/[C@H](O)c1ccco1 308148362 572836134 /nfs/dbraw/zinc/83/61/34/572836134.db2.gz FCHQQWQTAWJATR-DDXVTDLHSA-N 0 0 178.231 2.835 10 30 AFEERN CCCC[C@@H](O)C1(C#N)CCCC1 85891607 572836147 /nfs/dbraw/zinc/83/61/47/572836147.db2.gz WCQHJCNUQUVTNF-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN SC[C@@H]1C[C@H]1c1ccccc1 71477108 572836269 /nfs/dbraw/zinc/83/62/69/572836269.db2.gz GWNUQOUGPARVDD-UWVGGRQHSA-N 0 0 164.273 2.720 10 30 AFEERN CCC(CC)[C@H](O)C1(C#N)CCCC1 85887206 572836270 /nfs/dbraw/zinc/83/62/70/572836270.db2.gz VOZRVSHJCDTPQZ-NSHDSACASA-N 0 0 195.306 2.867 10 30 AFEERN CCCCN(C)[C@H](C#N)CC(C)C 71499195 572836278 /nfs/dbraw/zinc/83/62/78/572836278.db2.gz OOWAXNJHKBOAOK-NSHDSACASA-N 0 0 182.311 2.657 10 30 AFEERN C=CCOCCc1cccc(F)c1 118457637 572836309 /nfs/dbraw/zinc/83/63/09/572836309.db2.gz GJUWJNVINYQYRR-UHFFFAOYSA-N 0 0 180.222 2.571 10 30 AFEERN CCCC[C@H](O)C1(C#N)CCCC1 85891603 572836361 /nfs/dbraw/zinc/83/63/61/572836361.db2.gz WCQHJCNUQUVTNF-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN C=CC[C@@H]1CCCCCC[C@@H]1O 306924528 572836558 /nfs/dbraw/zinc/83/65/58/572836558.db2.gz JPRQDUCMXUHHOI-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN Cc1c([C@@H]2CO2)c2ccccc2n1C 71500006 572836579 /nfs/dbraw/zinc/83/65/79/572836579.db2.gz WCVRNLRUJSEWBR-NSHDSACASA-N 0 0 187.242 2.558 10 30 AFEERN C=C(C)CC(=O)N[C@H](C)CC(C)C 308148402 572836656 /nfs/dbraw/zinc/83/66/56/572836656.db2.gz MVVHKMTXJVNILD-SNVBAGLBSA-N 0 0 183.295 2.503 10 30 AFEERN C=C1C[C@]23CCC[C@@]2(C)CC(=O)[C@H]13 306981026 572836864 /nfs/dbraw/zinc/83/68/64/572836864.db2.gz GFZIEYFELLGTBC-SRVKXCTJSA-N 0 0 176.259 2.712 10 30 AFEERN CCCCC#C[C@@](C)(O)/C=C\Cl 306942074 572836868 /nfs/dbraw/zinc/83/68/68/572836868.db2.gz RRVWAQYQNBISPY-HSTULFTRSA-N 0 0 186.682 2.684 10 30 AFEERN C=CCCCCOC(=O)[C@@H]1C[C@H]1C 308143316 572836975 /nfs/dbraw/zinc/83/69/75/572836975.db2.gz AEENEPXHQXJHHF-NXEZZACHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCCCOC(=O)[C@H]1C[C@@H]1C 308143318 572836996 /nfs/dbraw/zinc/83/69/96/572836996.db2.gz AEENEPXHQXJHHF-UWVGGRQHSA-N 0 0 182.263 2.542 10 30 AFEERN C#C/C(C)=C/C[C@H]1CCCC[C@H]1O 306907825 572837080 /nfs/dbraw/zinc/83/70/80/572837080.db2.gz DJSWXBBVAAIAMX-BXAYLQTHSA-N 0 0 178.275 2.507 10 30 AFEERN CCCCN(C)[C@@H](C#N)CC(C)C 71499197 572837136 /nfs/dbraw/zinc/83/71/36/572837136.db2.gz OOWAXNJHKBOAOK-LLVKDONJSA-N 0 0 182.311 2.657 10 30 AFEERN C=C[C@H](C)Nc1ccc(OC)c(F)c1 234872735 572837407 /nfs/dbraw/zinc/83/74/07/572837407.db2.gz LKYIKFDDUJHZLL-QMMMGPOBSA-N 0 0 195.237 2.821 10 30 AFEERN C=CCCCCOC(=O)[C@@H]1C[C@@H]1C 308143320 572837446 /nfs/dbraw/zinc/83/74/46/572837446.db2.gz AEENEPXHQXJHHF-VHSXEESVSA-N 0 0 182.263 2.542 10 30 AFEERN Cc1c([C@H]2CO2)c2ccccc2n1C 71500007 572837451 /nfs/dbraw/zinc/83/74/51/572837451.db2.gz WCVRNLRUJSEWBR-LLVKDONJSA-N 0 0 187.242 2.558 10 30 AFEERN C=C1CC[C@H]([C@H](C)CO)C1(C)C 306927931 572838224 /nfs/dbraw/zinc/83/82/24/572838224.db2.gz WEMFXCFOVMLUPA-PSASIEDQSA-N 0 0 168.280 2.607 10 30 AFEERN Cc1csc2cc([C@@H](C)C#N)cn12 75396185 572837974 /nfs/dbraw/zinc/83/79/74/572837974.db2.gz ZPPPJYBKAVULJT-ZETCQYMHSA-N 0 0 190.271 2.936 10 30 AFEERN C=CC/C(C)=C/[C@@H](O)c1ccco1 308148361 572837977 /nfs/dbraw/zinc/83/79/77/572837977.db2.gz FCHQQWQTAWJATR-AAXQSMANSA-N 0 0 178.231 2.835 10 30 AFEERN Cc1csc2cc(CC#N)c(C)n12 75396203 572838574 /nfs/dbraw/zinc/83/85/74/572838574.db2.gz FNXZYOJKDFEGID-UHFFFAOYSA-N 0 0 190.271 2.684 10 30 AFEERN Cc1cc2sc(C)c(C)n2c1C#N 75396216 572839003 /nfs/dbraw/zinc/83/90/03/572839003.db2.gz ALZCTESITGAEIL-UHFFFAOYSA-N 0 0 190.271 2.798 10 30 AFEERN Cc1csc2cc([C@H](C)C#N)cn12 75396186 572839027 /nfs/dbraw/zinc/83/90/27/572839027.db2.gz ZPPPJYBKAVULJT-SSDOTTSWSA-N 0 0 190.271 2.936 10 30 AFEERN CN(CCCC#N)c1cccc(F)c1 50004063 572839152 /nfs/dbraw/zinc/83/91/52/572839152.db2.gz OHNJKOQWZZXBEN-UHFFFAOYSA-N 0 0 192.237 2.566 10 30 AFEERN C#CCCSCc1ncc(C)s1 308148644 572839165 /nfs/dbraw/zinc/83/91/65/572839165.db2.gz LRHMFPWWLJAZGX-UHFFFAOYSA-N 0 0 197.328 2.708 10 30 AFEERN CC(C)Oc1ccc([C@H]2CO2)cc1F 71507290 572839302 /nfs/dbraw/zinc/83/93/02/572839302.db2.gz CCDLKFKLUZGNIO-LLVKDONJSA-N 0 0 196.221 2.684 10 30 AFEERN Cc1sc2cc(CC#N)cn2c1C 75396230 572839429 /nfs/dbraw/zinc/83/94/29/572839429.db2.gz IZHQWYSRSZJTPE-UHFFFAOYSA-N 0 0 190.271 2.684 10 30 AFEERN C#Cc1nc(C(C)(C)C)sc1C 306964800 572839552 /nfs/dbraw/zinc/83/95/52/572839552.db2.gz JIRCVROCMDCQJQ-UHFFFAOYSA-N 0 0 179.288 2.730 10 30 AFEERN CCc1csc2cc(C)c(C#N)n12 75396217 572839589 /nfs/dbraw/zinc/83/95/89/572839589.db2.gz YERRBCITSOLTLH-UHFFFAOYSA-N 0 0 190.271 2.743 10 30 AFEERN CC(=O)/C(=C/Cl)CC(C)C 118563985 572839930 /nfs/dbraw/zinc/83/99/30/572839930.db2.gz OZFOBMRWEXQBEU-VMPITWQZSA-N 0 0 160.644 2.744 10 30 AFEERN N#CCCCSc1cccc(N)c1 85927876 572839933 /nfs/dbraw/zinc/83/99/33/572839933.db2.gz SUCDDWIHFCMFDZ-UHFFFAOYSA-N 0 0 192.287 2.665 10 30 AFEERN C=CCC(=O)OCCC(C)(C)C 307957760 572839976 /nfs/dbraw/zinc/83/99/76/572839976.db2.gz HHYJMEHEIXKXSR-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN CCc1csc2cc(CC#N)cn12 75396231 572839986 /nfs/dbraw/zinc/83/99/86/572839986.db2.gz QVEMDDJFIJKBHZ-UHFFFAOYSA-N 0 0 190.271 2.629 10 30 AFEERN N#Cc1ccccc1NCCC1CC1 83894875 572840045 /nfs/dbraw/zinc/84/00/45/572840045.db2.gz KEITWBCRVAJEQA-UHFFFAOYSA-N 0 0 186.258 2.770 10 30 AFEERN CC(C)CC[C@@H]1CCCC1=NN 307957254 572840191 /nfs/dbraw/zinc/84/01/91/572840191.db2.gz RXPYOJPBJDQKGZ-VIFPVBQESA-N 0 0 168.284 2.537 10 30 AFEERN Cc1[nH]c2ccccc2c1CCS 71506002 572840253 /nfs/dbraw/zinc/84/02/53/572840253.db2.gz TVNJQKRDDLSFSP-UHFFFAOYSA-N 0 0 191.299 2.949 10 30 AFEERN C=C1[C@H](CC)[C@]12CCCC[C@H]2O 306975772 572840300 /nfs/dbraw/zinc/84/03/00/572840300.db2.gz YQCMJDKCVVKNIT-AXFHLTTASA-N 0 0 166.264 2.504 10 30 AFEERN C=C1[C@H](CC)[C@]12CCCC[C@@H]2O 306975775 572840330 /nfs/dbraw/zinc/84/03/30/572840330.db2.gz YQCMJDKCVVKNIT-DCAQKATOSA-N 0 0 166.264 2.504 10 30 AFEERN Cc1cc([C@@H]2CO2)ccc1OC(C)C 71506109 572840507 /nfs/dbraw/zinc/84/05/07/572840507.db2.gz YXRGPMOPYOEBFI-LBPRGKRZSA-N 0 0 192.258 2.854 10 30 AFEERN CC(C)Oc1ccc([C@@H]2CO2)cc1F 71507289 572840726 /nfs/dbraw/zinc/84/07/26/572840726.db2.gz CCDLKFKLUZGNIO-NSHDSACASA-N 0 0 196.221 2.684 10 30 AFEERN C=C(C)CNN=C(C)CCC(C)C 308148484 572840761 /nfs/dbraw/zinc/84/07/61/572840761.db2.gz MZIAEWWNNVKQGA-UHFFFAOYSA-N 0 0 182.311 2.964 10 30 AFEERN C=C[C@H]1C[C@H]2C=CCCC(=O)[C@H]2C1 306995585 572840764 /nfs/dbraw/zinc/84/07/64/572840764.db2.gz QPIOYSQXVQXKGT-AXFHLTTASA-N 0 0 176.259 2.734 10 30 AFEERN Cc1cc([C@H]2CO2)ccc1OC(C)C 71506110 572840899 /nfs/dbraw/zinc/84/08/99/572840899.db2.gz YXRGPMOPYOEBFI-GFCCVEGCSA-N 0 0 192.258 2.854 10 30 AFEERN CC(CCC1CCCCC1)=NN 307957147 572841271 /nfs/dbraw/zinc/84/12/71/572841271.db2.gz GWOXMFGOHOUMPF-UHFFFAOYSA-N 0 0 168.284 2.682 10 30 AFEERN C=CC[C@H]1CCCCCC[C@H]1O 306924530 572841425 /nfs/dbraw/zinc/84/14/25/572841425.db2.gz JPRQDUCMXUHHOI-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN CC(C)CC[C@H]1CCCC1=NN 307957253 572841698 /nfs/dbraw/zinc/84/16/98/572841698.db2.gz RXPYOJPBJDQKGZ-SECBINFHSA-N 0 0 168.284 2.537 10 30 AFEERN CC(C)C[C@H](C#N)N1CCC(C)CC1 71506921 572841741 /nfs/dbraw/zinc/84/17/41/572841741.db2.gz IIPPPOQPBPQRBW-GFCCVEGCSA-N 0 0 194.322 2.657 10 30 AFEERN CCO[C@@H]1C[C@H]1C#CC1=CCCCC1 306968313 572841917 /nfs/dbraw/zinc/84/19/17/572841917.db2.gz ODINTRPCMSFYMQ-CHWSQXEVSA-N 0 0 190.286 2.915 10 30 AFEERN CC(C)C[C@@H](C#N)N1CCC(C)CC1 71506920 572841980 /nfs/dbraw/zinc/84/19/80/572841980.db2.gz IIPPPOQPBPQRBW-LBPRGKRZSA-N 0 0 194.322 2.657 10 30 AFEERN C=CCCSc1cccc(N)c1 85928357 572842068 /nfs/dbraw/zinc/84/20/68/572842068.db2.gz GAZZYGKVCDJERS-UHFFFAOYSA-N 0 0 179.288 2.937 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@H](C)CC 307954949 572842483 /nfs/dbraw/zinc/84/24/83/572842483.db2.gz QTFKQEFMBDDUIX-RKDXNWHRSA-N 0 0 170.252 2.540 10 30 AFEERN CC(C)=CCCC(C)=NN(C)C 307954660 572842793 /nfs/dbraw/zinc/84/27/93/572842793.db2.gz ZNIIQTSIFWAJFS-UHFFFAOYSA-N 0 0 168.284 2.670 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@@H](C)CC 307954945 572843556 /nfs/dbraw/zinc/84/35/56/572843556.db2.gz QTFKQEFMBDDUIX-DTWKUNHWSA-N 0 0 170.252 2.540 10 30 AFEERN CCCCC#C/C=C\C[C@H](O)CC 308151032 572843625 /nfs/dbraw/zinc/84/36/25/572843625.db2.gz HZFXWFMLDUENJU-ZWLSGLHFSA-N 0 0 180.291 2.897 10 30 AFEERN C=CC[C@H](C)[C@H](C)N(C)CC(F)F 308149865 572843647 /nfs/dbraw/zinc/84/36/47/572843647.db2.gz NSQSMBMYEHTGKF-IUCAKERBSA-N 0 0 191.265 2.784 10 30 AFEERN C=CC[C@@H](C)[C@H](C)N(C)CC(F)F 308149863 572843670 /nfs/dbraw/zinc/84/36/70/572843670.db2.gz NSQSMBMYEHTGKF-BDAKNGLRSA-N 0 0 191.265 2.784 10 30 AFEERN C=C1CC[C@@H](O)[C@@H]2C[C@H](C)CC[C@@H]12 306989710 572843763 /nfs/dbraw/zinc/84/37/63/572843763.db2.gz HTZTZXXJXXCKLJ-SASUGWTJSA-N 0 0 180.291 2.750 10 30 AFEERN C=C1[C@@H](CC)[C@@H]1[C@H](O)C(C)(C)C 306978114 572843954 /nfs/dbraw/zinc/84/39/54/572843954.db2.gz ZPODDXWNEXASQN-BBBLOLIVSA-N 0 0 168.280 2.606 10 30 AFEERN C=C1CCC[C@]2(C)C[C@H](O)CC[C@@H]12 306934881 572843971 /nfs/dbraw/zinc/84/39/71/572843971.db2.gz GUUPJPXMIGZKFQ-GRYCIOLGSA-N 0 0 180.291 2.894 10 30 AFEERN CCCCC(=NO)[C@H](O)CCCC 308150974 572843985 /nfs/dbraw/zinc/84/39/85/572843985.db2.gz HWYYCGGTTDJDSX-SNVBAGLBSA-N 0 0 187.283 2.558 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H](C)CC 307954944 572844249 /nfs/dbraw/zinc/84/42/49/572844249.db2.gz QTFKQEFMBDDUIX-BDAKNGLRSA-N 0 0 170.252 2.540 10 30 AFEERN C=C(C)[C@H](O)CCCCCC 86020289 572844391 /nfs/dbraw/zinc/84/43/91/572844391.db2.gz PLZDBJRJRRIYJL-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN C=C(C)[C@H](O)c1ccc2ncccc2c1 86020346 572844607 /nfs/dbraw/zinc/84/46/07/572844607.db2.gz FVYAGEVAWHIGJD-ZDUSSCGKSA-N 0 0 199.253 2.844 10 30 AFEERN C=C(C)[C@@H](O)c1ccccc1OCC 86018810 572844513 /nfs/dbraw/zinc/84/45/13/572844513.db2.gz RNZWTTHNVQLRQU-GFCCVEGCSA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C)[C@@]1(O)CC2CCC1CC2 306936942 572844568 /nfs/dbraw/zinc/84/45/68/572844568.db2.gz FMBANLOUNSDLOV-ILDUYXDCSA-N 0 0 166.264 2.504 10 30 AFEERN C=C(C)[C@@H](O)c1cccc2cccnc12 86020362 572844571 /nfs/dbraw/zinc/84/45/71/572844571.db2.gz PKIKZQFKHLWFML-CYBMUJFWSA-N 0 0 199.253 2.844 10 30 AFEERN C=CC[C@H](C)[C@@H](C)N(C)CC(F)F 308149864 572844594 /nfs/dbraw/zinc/84/45/94/572844594.db2.gz NSQSMBMYEHTGKF-DTWKUNHWSA-N 0 0 191.265 2.784 10 30 AFEERN C=C(C)[C@H](O)c1cccc(OCC)c1 86018852 572845283 /nfs/dbraw/zinc/84/52/83/572845283.db2.gz ACLXVAGEKCNUFP-LBPRGKRZSA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C)C(=O)c1cccc(OCC)c1 86022162 572845310 /nfs/dbraw/zinc/84/53/10/572845310.db2.gz NHQMTUIKXSDDPW-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=C(C)C(=O)CSCC(C)C 86023177 572845436 /nfs/dbraw/zinc/84/54/36/572845436.db2.gz AIMFFZXOORZUQV-UHFFFAOYSA-N 0 0 172.293 2.521 10 30 AFEERN C=C(C)[C@H](O)c1cccc2cccnc12 86020358 572845444 /nfs/dbraw/zinc/84/54/44/572845444.db2.gz PKIKZQFKHLWFML-ZDUSSCGKSA-N 0 0 199.253 2.844 10 30 AFEERN C=C(C)[C@@H]1C[C@H]1[C@@H](O)CCCC 307959042 572845552 /nfs/dbraw/zinc/84/55/52/572845552.db2.gz ITOFDZLJLQXDEM-AXFHLTTASA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C(=O)CS[C@@H](C)CC 86023197 572845615 /nfs/dbraw/zinc/84/56/15/572845615.db2.gz CDHXMMILQZRLSO-QMMMGPOBSA-N 0 0 172.293 2.663 10 30 AFEERN C=C(C)[C@H](O)c1ccnc2ccccc12 86019841 572845739 /nfs/dbraw/zinc/84/57/39/572845739.db2.gz QDOLGJFAIVKAAT-ZDUSSCGKSA-N 0 0 199.253 2.844 10 30 AFEERN C#CCCC(=O)OCCCCCC 75421432 572845858 /nfs/dbraw/zinc/84/58/58/572845858.db2.gz ATUBVVRJFGOQOG-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN C=C1CC[C@H]([C@@H](C)CO)C1(C)C 306927933 572845881 /nfs/dbraw/zinc/84/58/81/572845881.db2.gz WEMFXCFOVMLUPA-WCBMZHEXSA-N 0 0 168.280 2.607 10 30 AFEERN C/C=C\[C@H](O)CC#CC1CCCC1 308152635 572845920 /nfs/dbraw/zinc/84/59/20/572845920.db2.gz JUPIUAOMCHACOR-DWMUBGRBSA-N 0 0 178.275 2.507 10 30 AFEERN C#CC[C@@H](C)C(=O)OC1CCCCC1 75421385 572845994 /nfs/dbraw/zinc/84/59/94/572845994.db2.gz LKNRYDIPNCSJJJ-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C=C(C)CC(=O)CCC(C)C 86022488 572846072 /nfs/dbraw/zinc/84/60/72/572846072.db2.gz DXLWBCXNKUBNEJ-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(C)[C@H](O)c1ccc2ccccc2n1 86021139 572846224 /nfs/dbraw/zinc/84/62/24/572846224.db2.gz GRKCKWRNVYPDJD-ZDUSSCGKSA-N 0 0 199.253 2.844 10 30 AFEERN C=C(C)CC(=O)Cc1nc(C)cs1 86022725 572846245 /nfs/dbraw/zinc/84/62/45/572846245.db2.gz LAVFFMFKDIJFPJ-UHFFFAOYSA-N 0 0 195.287 2.529 10 30 AFEERN C=C(C)[C@H](O)c1ccc(OCC)cc1 86018762 572846259 /nfs/dbraw/zinc/84/62/59/572846259.db2.gz DGILSCRMVYILBB-LBPRGKRZSA-N 0 0 192.258 2.695 10 30 AFEERN C/C=C\[C@@H](O)CC#CC1CCCC1 308152634 572846326 /nfs/dbraw/zinc/84/63/26/572846326.db2.gz JUPIUAOMCHACOR-DBGMKRSLSA-N 0 0 178.275 2.507 10 30 AFEERN C=C[C@@H](O)CC#C/C=C\CCCC 308151609 572846361 /nfs/dbraw/zinc/84/63/61/572846361.db2.gz IOLXBQIXSVSITH-QDZRJHCZSA-N 0 0 178.275 2.673 10 30 AFEERN C=C(C)C(=O)CS[C@H](C)CC 86023191 572846365 /nfs/dbraw/zinc/84/63/65/572846365.db2.gz CDHXMMILQZRLSO-MRVPVSSYSA-N 0 0 172.293 2.663 10 30 AFEERN C#CCCc1cc(CC)ccc1OC 75421204 572846419 /nfs/dbraw/zinc/84/64/19/572846419.db2.gz XJRCTSPBYDTHNW-UHFFFAOYSA-N 0 0 188.270 2.823 10 30 AFEERN C=C(C)[C@@H]1C[C@@H]1[C@H](O)CCCC 307959045 572846438 /nfs/dbraw/zinc/84/64/38/572846438.db2.gz ITOFDZLJLQXDEM-GARJFASQSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)CC(=O)Cc1cccc(F)c1 86022407 572846481 /nfs/dbraw/zinc/84/64/81/572846481.db2.gz JWVWIIULBRVLLP-UHFFFAOYSA-N 0 0 192.233 2.904 10 30 AFEERN C=C(C)C(=O)CSc1ccccc1 86023226 572846613 /nfs/dbraw/zinc/84/66/13/572846613.db2.gz WDJKJDPJBYTPGC-UHFFFAOYSA-N 0 0 192.283 2.924 10 30 AFEERN C=C(C)CN=NCCC(C)(C)C 307959285 572846623 /nfs/dbraw/zinc/84/66/23/572846623.db2.gz JBAOOHJELKULHE-UHFFFAOYSA-N 0 0 168.284 2.574 10 30 AFEERN C#CC[C@H](C)C(=O)OC1CCCCC1 75421384 572846634 /nfs/dbraw/zinc/84/66/34/572846634.db2.gz LKNRYDIPNCSJJJ-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C=C(C)CC(=O)Cc1csc(C)n1 86022746 572847016 /nfs/dbraw/zinc/84/70/16/572847016.db2.gz GGGFTHUDTWWMBZ-UHFFFAOYSA-N 0 0 195.287 2.529 10 30 AFEERN C=C(C)[C@@H](O)c1ccnc2ccccc12 86019843 572846881 /nfs/dbraw/zinc/84/68/81/572846881.db2.gz QDOLGJFAIVKAAT-CYBMUJFWSA-N 0 0 199.253 2.844 10 30 AFEERN C#CCCSC[C@H](C)C(F)(F)F 307958863 572847050 /nfs/dbraw/zinc/84/70/50/572847050.db2.gz UIWOEIUMVKSZOT-ZETCQYMHSA-N 0 0 196.237 2.941 10 30 AFEERN C=C(C)CC(=O)CSC(C)C 86023167 572847072 /nfs/dbraw/zinc/84/70/72/572847072.db2.gz WAOLIJGZSIDGPS-UHFFFAOYSA-N 0 0 172.293 2.663 10 30 AFEERN C/C=C(/C)C[C@@H](O)CC#CCCC 308153096 572847290 /nfs/dbraw/zinc/84/72/90/572847290.db2.gz KAICLRQXQAOHSX-QJGQKNTRSA-N 0 0 180.291 2.897 10 30 AFEERN C=C(C)[C@@H](CC=O)c1ccccc1 118628777 572847362 /nfs/dbraw/zinc/84/73/62/572847362.db2.gz QJYAWGKEAGGSEA-GFCCVEGCSA-N 0 0 174.243 2.935 10 30 AFEERN C=C(C)[C@@H](O)[C@H](C)C=C(C)C 306981852 572847403 /nfs/dbraw/zinc/84/74/03/572847403.db2.gz INYHKFGIAWBMNG-NXEZZACHSA-N 0 0 154.253 2.526 10 30 AFEERN N#Cc1cc(C2CC2)c2ccccc2n1 77255382 572847514 /nfs/dbraw/zinc/84/75/14/572847514.db2.gz WTXUXDGIGYHNQG-UHFFFAOYSA-N 0 0 194.237 2.984 10 30 AFEERN C=C(C)C[C@H](O)Cc1cccc(C)c1 86059884 572847570 /nfs/dbraw/zinc/84/75/70/572847570.db2.gz GMHBBILQYMHNLV-ZDUSSCGKSA-N 0 0 190.286 2.865 10 30 AFEERN C=C(C)[C@@H]1C[C@H]1[C@H](O)CCCC 307959047 572847714 /nfs/dbraw/zinc/84/77/14/572847714.db2.gz ITOFDZLJLQXDEM-HBNTYKKESA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C[C@H](O)c1ccc(OC)cc1 86059686 572847718 /nfs/dbraw/zinc/84/77/18/572847718.db2.gz USXWIGYUBFZYCO-LBPRGKRZSA-N 0 0 192.258 2.695 10 30 AFEERN CC(C)(C)CCNN=CC1(C)CC1 308152215 572847765 /nfs/dbraw/zinc/84/77/65/572847765.db2.gz PABONNCTBQFDQG-UHFFFAOYSA-N 0 0 182.311 2.798 10 30 AFEERN C=C(C)C[C@H](O)CSCC(C)C 86060118 572847808 /nfs/dbraw/zinc/84/78/08/572847808.db2.gz UKJDUNOFVGTRBV-JTQLQIEISA-N 0 0 188.336 2.703 10 30 AFEERN C=C(C)C[C@@H](O)Cc1cccc(C)c1 86059882 572847843 /nfs/dbraw/zinc/84/78/43/572847843.db2.gz GMHBBILQYMHNLV-CYBMUJFWSA-N 0 0 190.286 2.865 10 30 AFEERN C=C(C)C[C@H](O)CCC(C)C 86059870 572847854 /nfs/dbraw/zinc/84/78/54/572847854.db2.gz RAXMGYMCZAWHAT-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)[C@@H]1C[C@@H]1[C@@H](O)CCCC 307959043 572847897 /nfs/dbraw/zinc/84/78/97/572847897.db2.gz ITOFDZLJLQXDEM-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C[C@@H](O)Cc1ccccc1F 86059862 572847926 /nfs/dbraw/zinc/84/79/26/572847926.db2.gz HQWQTEHYJOJDLF-LLVKDONJSA-N 0 0 194.249 2.695 10 30 AFEERN C=C(C(=O)C1(CC)CC1)C(F)(F)F 308153826 572848010 /nfs/dbraw/zinc/84/80/10/572848010.db2.gz SFSMYSBMMJQAEB-UHFFFAOYSA-N 0 0 192.180 2.864 10 30 AFEERN C=C[C@@H](C)Nc1ccc(OC)c(C)c1 234877910 572848011 /nfs/dbraw/zinc/84/80/11/572848011.db2.gz VBZWFCRGDUTTQF-SNVBAGLBSA-N 0 0 191.274 2.990 10 30 AFEERN C=C[C@@H](C)Nc1ccc(OC)c(F)c1 234877972 572848078 /nfs/dbraw/zinc/84/80/78/572848078.db2.gz LKYIKFDDUJHZLL-MRVPVSSYSA-N 0 0 195.237 2.821 10 30 AFEERN C=C(C)C[C@@H](O)c1ccc(OC)cc1 86059687 572848109 /nfs/dbraw/zinc/84/81/09/572848109.db2.gz USXWIGYUBFZYCO-GFCCVEGCSA-N 0 0 192.258 2.695 10 30 AFEERN CC/C=C\C(=O)c1cnccc1C 308153270 572848676 /nfs/dbraw/zinc/84/86/76/572848676.db2.gz KMHFXRLYFFGYDW-PLNGDYQASA-N 0 0 175.231 2.539 10 30 AFEERN C=C(C)C[C@@H](O)CCC(C)C 86059867 572848295 /nfs/dbraw/zinc/84/82/95/572848295.db2.gz RAXMGYMCZAWHAT-JTQLQIEISA-N 0 0 156.269 2.750 10 30 AFEERN C=C(C)C[C@H](O)CS[C@H](C)CC 86060125 572848337 /nfs/dbraw/zinc/84/83/37/572848337.db2.gz OZLYYAJBGZIEQW-ZJUUUORDSA-N 0 0 188.336 2.845 10 30 AFEERN C=C(C)C[C@H](O)Cc1ccc(C)cc1 86059918 572848431 /nfs/dbraw/zinc/84/84/31/572848431.db2.gz KXFQHLCQUAFMAY-ZDUSSCGKSA-N 0 0 190.286 2.865 10 30 AFEERN CCc1nc(C#N)cc2cc(C)ccc12 77256359 572849511 /nfs/dbraw/zinc/84/95/11/572849511.db2.gz DXPCEUBAOXKXKQ-UHFFFAOYSA-N 0 0 196.253 2.977 10 30 AFEERN C=C(C)C[C@H](O)CS[C@@H](C)CC 86060127 572848551 /nfs/dbraw/zinc/84/85/51/572848551.db2.gz OZLYYAJBGZIEQW-UWVGGRQHSA-N 0 0 188.336 2.845 10 30 AFEERN C=C(C)C[C@H](O)Cc1cccs1 86059924 572848616 /nfs/dbraw/zinc/84/86/16/572848616.db2.gz OCKKCJPSKRDLKM-VIFPVBQESA-N 0 0 182.288 2.618 10 30 AFEERN C=C(C)C[C@@H](O)c1cccc(OC)c1 86059699 572848679 /nfs/dbraw/zinc/84/86/79/572848679.db2.gz IZQVLUBZQKIGRP-GFCCVEGCSA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C)C[C@@H](O)Cc1ccc(F)cc1 86059779 572848772 /nfs/dbraw/zinc/84/87/72/572848772.db2.gz JEPHZIJXLDUXBV-GFCCVEGCSA-N 0 0 194.249 2.695 10 30 AFEERN C=C(C)C[C@H](O)c1ccccc1OC 86059689 572848867 /nfs/dbraw/zinc/84/88/67/572848867.db2.gz PUNSNVKQKIPZNT-NSHDSACASA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C)C[C@@H](O)Cc1cccc(F)c1 86059836 572849030 /nfs/dbraw/zinc/84/90/30/572849030.db2.gz MTLFZPHTFYGFGT-GFCCVEGCSA-N 0 0 194.249 2.695 10 30 AFEERN CCc1nc(C#N)cc2c(C)cccc12 77256764 572849073 /nfs/dbraw/zinc/84/90/73/572849073.db2.gz CLZDUOSPVLFLAP-UHFFFAOYSA-N 0 0 196.253 2.977 10 30 AFEERN C=C(C)C[C@H](O)Cc1ccccc1F 86059860 572849119 /nfs/dbraw/zinc/84/91/19/572849119.db2.gz HQWQTEHYJOJDLF-NSHDSACASA-N 0 0 194.249 2.695 10 30 AFEERN C=C(C)C[C@@H](O)c1ccccc1OC 86059692 572849295 /nfs/dbraw/zinc/84/92/95/572849295.db2.gz PUNSNVKQKIPZNT-LLVKDONJSA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C)C[C@@H](O)Cc1ccc(C)cc1 86059917 572849485 /nfs/dbraw/zinc/84/94/85/572849485.db2.gz KXFQHLCQUAFMAY-CYBMUJFWSA-N 0 0 190.286 2.865 10 30 AFEERN C/C=C(\CC)C(=O)c1cccnc1 308145105 572849564 /nfs/dbraw/zinc/84/95/64/572849564.db2.gz XJVBDJMCGRPKQY-YCRREMRBSA-N 0 0 175.231 2.621 10 30 AFEERN C=C(C)C[C@H](O)Cc1cccc(F)c1 86059833 572849706 /nfs/dbraw/zinc/84/97/06/572849706.db2.gz MTLFZPHTFYGFGT-LBPRGKRZSA-N 0 0 194.249 2.695 10 30 AFEERN C#CCCCC[C@@H]1CCCC1=O 238587888 572849714 /nfs/dbraw/zinc/84/97/14/572849714.db2.gz DBTBGHCYDOIBRC-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN C=C(C)C[C@@H](O)CSC(C)(C)C 86060115 572849802 /nfs/dbraw/zinc/84/98/02/572849802.db2.gz NKSHXDDGMLYGGV-SECBINFHSA-N 0 0 188.336 2.845 10 30 AFEERN C=C(C)C[C@@H](O)Cc1cccs1 86059925 572849817 /nfs/dbraw/zinc/84/98/17/572849817.db2.gz OCKKCJPSKRDLKM-SECBINFHSA-N 0 0 182.288 2.618 10 30 AFEERN CC/C=C\C(=O)CCC(C)(C)OC 308153200 572849845 /nfs/dbraw/zinc/84/98/45/572849845.db2.gz KJSNCJNNCDQMNW-SREVYHEPSA-N 0 0 184.279 2.727 10 30 AFEERN C=C(C)C[C@H](O)Cc1ccccc1C 86059879 572849914 /nfs/dbraw/zinc/84/99/14/572849914.db2.gz YAFIGLNSHNZNRX-ZDUSSCGKSA-N 0 0 190.286 2.865 10 30 AFEERN C=C(C)C[C@H](O)CCc1ccccc1 86059846 572849924 /nfs/dbraw/zinc/84/99/24/572849924.db2.gz JNJRSXJMMVEIFF-CYBMUJFWSA-N 0 0 190.286 2.946 10 30 AFEERN C=C(C)C[C@@H](O)Cc1ccccc1C 86059878 572849972 /nfs/dbraw/zinc/84/99/72/572849972.db2.gz YAFIGLNSHNZNRX-CYBMUJFWSA-N 0 0 190.286 2.865 10 30 AFEERN C=C(C)C[C@@H](O)CSCC(C)C 86060117 572850043 /nfs/dbraw/zinc/85/00/43/572850043.db2.gz UKJDUNOFVGTRBV-SNVBAGLBSA-N 0 0 188.336 2.703 10 30 AFEERN C=C(C)C[C@H](O)Cc1ccc(F)cc1 86059778 572850077 /nfs/dbraw/zinc/85/00/77/572850077.db2.gz JEPHZIJXLDUXBV-LBPRGKRZSA-N 0 0 194.249 2.695 10 30 AFEERN C=C(C)[C@H](CC=O)c1ccccc1 118628779 572850168 /nfs/dbraw/zinc/85/01/68/572850168.db2.gz QJYAWGKEAGGSEA-LBPRGKRZSA-N 0 0 174.243 2.935 10 30 AFEERN C=C(C)C[C@@H](O)CS[C@@H](C)CC 86060123 572850209 /nfs/dbraw/zinc/85/02/09/572850209.db2.gz OZLYYAJBGZIEQW-VHSXEESVSA-N 0 0 188.336 2.845 10 30 AFEERN CCC(CC)NN=CC(C)(C)C 307960313 572850246 /nfs/dbraw/zinc/85/02/46/572850246.db2.gz VYMAYKUNJSFDBR-UHFFFAOYSA-N 0 0 170.300 2.797 10 30 AFEERN N#C[C@@H]1CC[C@]12CCc1ccc(O)cc12 118626408 572850317 /nfs/dbraw/zinc/85/03/17/572850317.db2.gz VAGBBADTXWZBPQ-GXFFZTMASA-N 0 0 199.253 2.510 10 30 AFEERN C=C(C)CCSCCC1(O)CC1 307959735 572850355 /nfs/dbraw/zinc/85/03/55/572850355.db2.gz JOCUYGQHTLOHDL-UHFFFAOYSA-N 0 0 186.320 2.601 10 30 AFEERN CC(CCc1ccc(F)cc1)=NO 308144923 572851480 /nfs/dbraw/zinc/85/14/80/572851480.db2.gz LDXANEVSPCROSQ-UHFFFAOYSA-N 0 0 181.210 2.608 10 30 AFEERN N#C[C@H]1CC[C@]12CCc1ccc(O)cc12 118624403 572850571 /nfs/dbraw/zinc/85/05/71/572850571.db2.gz VAGBBADTXWZBPQ-ZWNOBZJWSA-N 0 0 199.253 2.510 10 30 AFEERN C=C1CCC([C@@H]2CCOC2)CC1 306972334 572851519 /nfs/dbraw/zinc/85/15/19/572851519.db2.gz KUNIBBOXHGQQPD-LLVKDONJSA-N 0 0 166.264 2.769 10 30 AFEERN C=C(C)[C@@H](CCO)c1ccccc1 118639788 572851128 /nfs/dbraw/zinc/85/11/28/572851128.db2.gz JSBNDQVFESYBKQ-GFCCVEGCSA-N 0 0 176.259 2.729 10 30 AFEERN CC(C)(C)CC=NNC(C)(C)C 307960560 572851549 /nfs/dbraw/zinc/85/15/49/572851549.db2.gz KNTZECGICAIDFW-UHFFFAOYSA-N 0 0 170.300 2.797 10 30 AFEERN CCCCC#C[C@](C)(O)/C=C\Cl 306942075 572851575 /nfs/dbraw/zinc/85/15/75/572851575.db2.gz RRVWAQYQNBISPY-QROTZFDESA-N 0 0 186.682 2.684 10 30 AFEERN C=C(C)CCCC(=O)C1CC1 86063527 572851742 /nfs/dbraw/zinc/85/17/42/572851742.db2.gz FIJQBQKAVGMUBL-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CCc1ccc2cc(C#N)nc(C)c2c1 77258762 572851760 /nfs/dbraw/zinc/85/17/60/572851760.db2.gz UBDRLCSSRBBFOZ-UHFFFAOYSA-N 0 0 196.253 2.977 10 30 AFEERN C=C1C[C@H](O)CC[C@H]2CCCC[C@@H]12 306991405 572851929 /nfs/dbraw/zinc/85/19/29/572851929.db2.gz VBXSLXHDALVIOR-UTUOFQBUSA-N 0 0 180.291 2.894 10 30 AFEERN C=C(C)CCC[C@@H](O)CCC 86064144 572851956 /nfs/dbraw/zinc/85/19/56/572851956.db2.gz VEZDNRQNSGMIKZ-JTQLQIEISA-N 0 0 156.269 2.894 10 30 AFEERN CCc1nc(C#N)cc2ccc(C)cc12 77258560 572852237 /nfs/dbraw/zinc/85/22/37/572852237.db2.gz FWYXZLHTHMOFLM-UHFFFAOYSA-N 0 0 196.253 2.977 10 30 AFEERN C=C[C@H]1[C@H](C(=C)C)C=CC(C)(C)[C@@H]1O 306994380 572852441 /nfs/dbraw/zinc/85/24/41/572852441.db2.gz NKNPFEJVMJQHAS-SDDRHHMPSA-N 0 0 192.302 2.938 10 30 AFEERN CC(C)[C@H](C)NN=Cc1cccs1 308145853 572852579 /nfs/dbraw/zinc/85/25/79/572852579.db2.gz LNCJYAUXBNLYEV-VIFPVBQESA-N 0 0 196.319 2.716 10 30 AFEERN C=C1C[C@H](O)C[C@@H]2C=C(C)CC[C@H]12 306990177 572852729 /nfs/dbraw/zinc/85/27/29/572852729.db2.gz SYFRWXXVNPDIDF-SDDRHHMPSA-N 0 0 178.275 2.670 10 30 AFEERN C=C(C)[C@H](CCO)c1ccccc1 118639790 572852755 /nfs/dbraw/zinc/85/27/55/572852755.db2.gz JSBNDQVFESYBKQ-LBPRGKRZSA-N 0 0 176.259 2.729 10 30 AFEERN CC(C)CC=NN[C@@H](C)C(C)C 307960516 572852772 /nfs/dbraw/zinc/85/27/72/572852772.db2.gz KLJGPLFIXMMYHD-JTQLQIEISA-N 0 0 170.300 2.652 10 30 AFEERN CCC=CC(=O)Cc1nc(C)cs1 308145733 572852787 /nfs/dbraw/zinc/85/27/87/572852787.db2.gz YKTXUZIGUZFSBZ-PLNGDYQASA-N 0 0 195.287 2.529 10 30 AFEERN C=C(C)CCC[C@H](O)C1CC1 86064172 572852981 /nfs/dbraw/zinc/85/29/81/572852981.db2.gz WQJVAABHIKAWNH-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)CCC[C@@H](O)C1CC1 86064175 572853127 /nfs/dbraw/zinc/85/31/27/572853127.db2.gz WQJVAABHIKAWNH-SNVBAGLBSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)CCC[C@H](O)CCC 86064147 572853175 /nfs/dbraw/zinc/85/31/75/572853175.db2.gz VEZDNRQNSGMIKZ-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN CC(C)(C)C=NNC1CCCCC1 308146435 572853387 /nfs/dbraw/zinc/85/33/87/572853387.db2.gz LXFVCKQEYIBEBH-UHFFFAOYSA-N 0 0 182.311 2.941 10 30 AFEERN CC(C)[C@@H](C)NN=Cc1cccs1 308145851 572853736 /nfs/dbraw/zinc/85/37/36/572853736.db2.gz LNCJYAUXBNLYEV-SECBINFHSA-N 0 0 196.319 2.716 10 30 AFEERN CCC(CC)OCC1(C#N)CCC1 308145541 572854598 /nfs/dbraw/zinc/85/45/98/572854598.db2.gz NSTVAJGSXFTLQS-UHFFFAOYSA-N 0 0 181.279 2.885 10 30 AFEERN CC(CC1CC1)=NN[C@@H](C)C(C)C 308145940 572854820 /nfs/dbraw/zinc/85/48/20/572854820.db2.gz LQALTRPYLGDPFE-JTQLQIEISA-N 0 0 182.311 2.797 10 30 AFEERN N#C[C@@H]1CC[C@@]12CCc1ccc(O)cc12 118617758 572855055 /nfs/dbraw/zinc/85/50/55/572855055.db2.gz VAGBBADTXWZBPQ-GWCFXTLKSA-N 0 0 199.253 2.510 10 30 AFEERN C=CC[C@@H]1[C@H]([C@H](O)CC)C1(C)C 307962242 572855183 /nfs/dbraw/zinc/85/51/83/572855183.db2.gz MZOZUSLZRAZBSH-OPRDCNLKSA-N 0 0 168.280 2.606 10 30 AFEERN CCN(C)N=C(C)CCC1CC1 307961891 572855239 /nfs/dbraw/zinc/85/52/39/572855239.db2.gz XTQDJQLSDUVTTA-UHFFFAOYSA-N 0 0 168.284 2.504 10 30 AFEERN C=C1[C@H](CC)[C@@]12CCCC[C@H]2O 306975778 572855270 /nfs/dbraw/zinc/85/52/70/572855270.db2.gz YQCMJDKCVVKNIT-HBNTYKKESA-N 0 0 166.264 2.504 10 30 AFEERN C=CC[C@@H]1[C@@H]([C@H](O)CC)C1(C)C 307962240 572855323 /nfs/dbraw/zinc/85/53/23/572855323.db2.gz MZOZUSLZRAZBSH-BBBLOLIVSA-N 0 0 168.280 2.606 10 30 AFEERN N#C[C@@H]1CCc2[nH]c3ccccc3c2C1 118611116 572855691 /nfs/dbraw/zinc/85/56/91/572855691.db2.gz BOCLHPUSNOHXJZ-SECBINFHSA-N 0 0 196.253 2.796 10 30 AFEERN C=CC[C@@H]1[C@H]([C@@H](O)CC)C1(C)C 307962241 572855696 /nfs/dbraw/zinc/85/56/96/572855696.db2.gz MZOZUSLZRAZBSH-KXUCPTDWSA-N 0 0 168.280 2.606 10 30 AFEERN C=C(C)CSCc1ncoc1C 307962068 572855701 /nfs/dbraw/zinc/85/57/01/572855701.db2.gz MSQMUWXKURJRRU-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN CC(C)CC(=NO)c1cccs1 307962085 572855905 /nfs/dbraw/zinc/85/59/05/572855905.db2.gz MUNBSGGVXLRSKX-UHFFFAOYSA-N 0 0 183.276 2.973 10 30 AFEERN N#C[C@H]1CC[C@@]12CCc1ccc(O)cc12 118615618 572856631 /nfs/dbraw/zinc/85/66/31/572856631.db2.gz VAGBBADTXWZBPQ-MFKMUULPSA-N 0 0 199.253 2.510 10 30 AFEERN C=CC[C@@H]1[C@@H]([C@@H](O)CC)C1(C)C 307962243 572856650 /nfs/dbraw/zinc/85/66/50/572856650.db2.gz MZOZUSLZRAZBSH-UTLUCORTSA-N 0 0 168.280 2.606 10 30 AFEERN CC(=NNC(C)(C)C)c1ccsc1 308146617 572857120 /nfs/dbraw/zinc/85/71/20/572857120.db2.gz MAORAEOJBAISNR-UHFFFAOYSA-N 0 0 196.319 2.860 10 30 AFEERN C=C1[C@H]2CC[C@@H]1[C@H]1CCC[C@@H]2C1=O 306948625 572857425 /nfs/dbraw/zinc/85/74/25/572857425.db2.gz UFLODBNPWZQPRY-CKIJPRSSSA-N 0 0 176.259 2.568 10 30 AFEERN CCC[C@@](C)(C#N)C[C@H](O)C(C)C 308147448 572857446 /nfs/dbraw/zinc/85/74/46/572857446.db2.gz DBOQPDXAABCWBX-WDEREUQCSA-N 0 0 183.295 2.723 10 30 AFEERN N#CCCC[C@H]1CCC[C@@H]1C#N 75545463 572857566 /nfs/dbraw/zinc/85/75/66/572857566.db2.gz KJCLKTWFAACJJH-VHSXEESVSA-N 0 0 162.236 2.620 10 30 AFEERN CC1=C[C@H]2C=CCC[C@]2(C#N)C1 75544159 572857702 /nfs/dbraw/zinc/85/77/02/572857702.db2.gz GJWHMKBEGRMZKR-GHMZBOCLSA-N 0 0 159.232 2.813 10 30 AFEERN C=C[C@H](C#N)Cc1ccccc1 75543143 572857842 /nfs/dbraw/zinc/85/78/42/572857842.db2.gz KWHQMIPNIGZNMV-JTQLQIEISA-N 0 0 157.216 2.555 10 30 AFEERN C=C(c1ccccc1)[C@@H](C)C#N 75543159 572857909 /nfs/dbraw/zinc/85/79/09/572857909.db2.gz KAROJRSCJMGFDE-VIFPVBQESA-N 0 0 157.216 2.859 10 30 AFEERN CCC/C=C/[C@H]1C=CC[C@@H]1C=O 75546326 572857934 /nfs/dbraw/zinc/85/79/34/572857934.db2.gz YZAASNRZMWBZEK-XDFYEUQUSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@@H](C)c1ccc(C#N)cc1 75543141 572858096 /nfs/dbraw/zinc/85/80/96/572858096.db2.gz GYUFTEYLHNNDAW-SECBINFHSA-N 0 0 157.216 2.848 10 30 AFEERN CC1=C[C@@H]2C=CCC[C@]2(C#N)C1 75544157 572858171 /nfs/dbraw/zinc/85/81/71/572858171.db2.gz GJWHMKBEGRMZKR-WDEREUQCSA-N 0 0 159.232 2.813 10 30 AFEERN CO/C=C1/CCC[C@@](C)(C#N)C1 75546866 572858185 /nfs/dbraw/zinc/85/81/85/572858185.db2.gz MCUIELCBHBIZMA-UJICNMFASA-N 0 0 165.236 2.621 10 30 AFEERN C#CCNc1ccc(CC)c(CC)c1 306925101 572858199 /nfs/dbraw/zinc/85/81/99/572858199.db2.gz LGYRGWBLUIJNDG-UHFFFAOYSA-N 0 0 187.286 2.857 10 30 AFEERN N#C[C@@H]1CCCc2cscc21 75545857 572858295 /nfs/dbraw/zinc/85/82/95/572858295.db2.gz IVKBOGOZMDHQOQ-ZETCQYMHSA-N 0 0 163.245 2.692 10 30 AFEERN C#CCCCC[C@H]1C=CC(=O)CC1 238593715 572858353 /nfs/dbraw/zinc/85/83/53/572858353.db2.gz JZXRHADRGNVHRH-NSHDSACASA-N 0 0 176.259 2.715 10 30 AFEERN CC(C)=Cc1ccc(C#N)cc1 75543170 572858361 /nfs/dbraw/zinc/85/83/61/572858361.db2.gz KYJALEOSBPNYIV-UHFFFAOYSA-N 0 0 157.216 2.981 10 30 AFEERN CC1=C[C@H]2C=CCC[C@@]2(C#N)C1 75544163 572858496 /nfs/dbraw/zinc/85/84/96/572858496.db2.gz GJWHMKBEGRMZKR-MNOVXSKESA-N 0 0 159.232 2.813 10 30 AFEERN C[C@@H](C#N)/C=C/c1ccccc1 75543149 572858509 /nfs/dbraw/zinc/85/85/09/572858509.db2.gz QFYUIQMDJGQTGR-QROSGCPLSA-N 0 0 157.216 2.859 10 30 AFEERN O=CCCCCCCC1=CC1 118696925 572858577 /nfs/dbraw/zinc/85/85/77/572858577.db2.gz GZELCCYKBFZWPU-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN C=C[C@H](C)c1ccc(C#N)cc1 75543139 572858597 /nfs/dbraw/zinc/85/85/97/572858597.db2.gz GYUFTEYLHNNDAW-VIFPVBQESA-N 0 0 157.216 2.848 10 30 AFEERN C=C1[C@H]2CC[C@@]3(CCCC[C@@H]3C2)[C@H]1O 306953899 572858656 /nfs/dbraw/zinc/85/86/56/572858656.db2.gz IZNOZZHFOICWIT-QNWHQSFQSA-N 0 0 192.302 2.894 10 30 AFEERN C/C=C/Cc1ccc(C#N)cc1 75543137 572858633 /nfs/dbraw/zinc/85/86/33/572858633.db2.gz HYOXWCUPTYCHAI-NSCUHMNNSA-N 0 0 157.216 2.677 10 30 AFEERN O=CC1(C#Cc2ccccc2)CCCC1 238595859 572858678 /nfs/dbraw/zinc/85/86/78/572858678.db2.gz DNCHKOIXJBVCMK-UHFFFAOYSA-N 0 0 198.265 2.797 10 30 AFEERN C/C=C/[C@H](C#N)c1ccccc1 75543154 572858694 /nfs/dbraw/zinc/85/86/94/572858694.db2.gz KTUHWIUWFABVLD-SZHMKSFOSA-N 0 0 157.216 2.870 10 30 AFEERN Cc1ccc(C)c2c1C(=NO)C[C@@H]2C 714565741 572858757 /nfs/dbraw/zinc/85/87/57/572858757.db2.gz QEXPQZXYCBHRAC-VIFPVBQESA-N 0 0 189.258 2.989 10 30 AFEERN CCCc1occc1[C@H](C)C=O 75547365 572862611 /nfs/dbraw/zinc/86/26/11/572862611.db2.gz ASEAQNAOQQWKBF-MRVPVSSYSA-N 0 0 166.220 2.535 10 30 AFEERN C=CC[C@H](CC#N)c1ccco1 75544958 572858996 /nfs/dbraw/zinc/85/89/96/572858996.db2.gz SVRUHUZKCOHYLC-SECBINFHSA-N 0 0 161.204 2.853 10 30 AFEERN CC(C)(C)c1coc(CC#N)c1 75545786 572859045 /nfs/dbraw/zinc/85/90/45/572859045.db2.gz FUAQBZOHPDRHIQ-UHFFFAOYSA-N 0 0 163.220 2.643 10 30 AFEERN CCC/C=C/[C@@H]1C=CC[C@@H]1C=O 75546325 572859106 /nfs/dbraw/zinc/85/91/06/572859106.db2.gz YZAASNRZMWBZEK-JYBZGJHDSA-N 0 0 164.248 2.734 10 30 AFEERN CO/C=C1/CCC[C@](C)(C#N)C1 75546863 572859158 /nfs/dbraw/zinc/85/91/58/572859158.db2.gz MCUIELCBHBIZMA-RNKPRXRFSA-N 0 0 165.236 2.621 10 30 AFEERN C=C(C)Cc1cc(F)ccc1N 306983598 572859235 /nfs/dbraw/zinc/85/92/35/572859235.db2.gz KVWRIGITWQRMOZ-UHFFFAOYSA-N 0 0 165.211 2.527 10 30 AFEERN C=CCC[C@H](C)SC[C@@H](C)CO 307962823 572859279 /nfs/dbraw/zinc/85/92/79/572859279.db2.gz YPBSVYIVLKQWIB-UWVGGRQHSA-N 0 0 188.336 2.703 10 30 AFEERN CCC[C@H](CC#N)SCC 75543275 572859332 /nfs/dbraw/zinc/85/93/32/572859332.db2.gz UDEVXTGNZCTKAX-MRVPVSSYSA-N 0 0 157.282 2.822 10 30 AFEERN CC1=C[C@@H]2C=CCC[C@@]2(C#N)C1 75544162 572859379 /nfs/dbraw/zinc/85/93/79/572859379.db2.gz GJWHMKBEGRMZKR-QWRGUYRKSA-N 0 0 159.232 2.813 10 30 AFEERN Cc1oc(C#N)cc1C(C)(C)C 75545791 572859397 /nfs/dbraw/zinc/85/93/97/572859397.db2.gz PCMSKIFUNBYAKW-UHFFFAOYSA-N 0 0 163.220 2.757 10 30 AFEERN C#Cc1nc2ccccc2cc1C=C 307031387 572859427 /nfs/dbraw/zinc/85/94/27/572859427.db2.gz QFLABIAWQSESHI-UHFFFAOYSA-N 0 0 179.222 2.859 10 30 AFEERN N#C[C@H]1CCCc2cscc21 75545860 572859442 /nfs/dbraw/zinc/85/94/42/572859442.db2.gz IVKBOGOZMDHQOQ-SSDOTTSWSA-N 0 0 163.245 2.692 10 30 AFEERN C=CCC[C@@H](C)SC[C@@H](C)CO 307962824 572859466 /nfs/dbraw/zinc/85/94/66/572859466.db2.gz YPBSVYIVLKQWIB-VHSXEESVSA-N 0 0 188.336 2.703 10 30 AFEERN N#CCCC[C@@H]1CCC[C@@H]1C#N 75545465 572859497 /nfs/dbraw/zinc/85/94/97/572859497.db2.gz KJCLKTWFAACJJH-NXEZZACHSA-N 0 0 162.236 2.620 10 30 AFEERN CCCC[C@H](C#N)c1ccc[nH]1 75545481 572859528 /nfs/dbraw/zinc/85/95/28/572859528.db2.gz FKJUAYNAUAQITB-SECBINFHSA-N 0 0 162.236 2.812 10 30 AFEERN C/C=C/[C@@H](C#N)c1ccccc1 75543151 572859537 /nfs/dbraw/zinc/85/95/37/572859537.db2.gz KTUHWIUWFABVLD-GSQGTZRGSA-N 0 0 157.216 2.870 10 30 AFEERN CS[C@@]1(C)CCCC[C@H]1C#N 75558191 572865174 /nfs/dbraw/zinc/86/51/74/572865174.db2.gz YONZQHFKORGWKR-IUCAKERBSA-N 0 0 169.293 2.822 10 30 AFEERN N#CC[C@H](C#N)C1CCCCC1 75545501 572859687 /nfs/dbraw/zinc/85/96/87/572859687.db2.gz RITRCEPCAYECDK-SNVBAGLBSA-N 0 0 162.236 2.620 10 30 AFEERN N#CC[C@@H](C#N)C1CCCCC1 75545499 572859691 /nfs/dbraw/zinc/85/96/91/572859691.db2.gz RITRCEPCAYECDK-JTQLQIEISA-N 0 0 162.236 2.620 10 30 AFEERN CC#CCSCC=C1CCC1 307071478 572859733 /nfs/dbraw/zinc/85/97/33/572859733.db2.gz XCLBGXYVKRZIEK-UHFFFAOYSA-N 0 0 166.289 2.853 10 30 AFEERN C#CCCCC(=O)C1(CCC)CC1 308148252 572859744 /nfs/dbraw/zinc/85/97/44/572859744.db2.gz PHVLKYREFJWMCH-UHFFFAOYSA-N 0 0 178.275 2.939 10 30 AFEERN C=CC[C@@H](C#N)c1cccs1 75545866 572859752 /nfs/dbraw/zinc/85/97/52/572859752.db2.gz MVJYXMJCVIVTIE-QMMMGPOBSA-N 0 0 163.245 2.931 10 30 AFEERN C=CC[C@@H](CC#N)c1ccco1 75544955 572859789 /nfs/dbraw/zinc/85/97/89/572859789.db2.gz SVRUHUZKCOHYLC-VIFPVBQESA-N 0 0 161.204 2.853 10 30 AFEERN CCCC[C@@H](C#N)c1ccc[nH]1 75545479 572859835 /nfs/dbraw/zinc/85/98/35/572859835.db2.gz FKJUAYNAUAQITB-VIFPVBQESA-N 0 0 162.236 2.812 10 30 AFEERN CC(C)(C)c1ccoc1CC#N 75545789 572859872 /nfs/dbraw/zinc/85/98/72/572859872.db2.gz VCZNLPXVCIJEGN-UHFFFAOYSA-N 0 0 163.220 2.643 10 30 AFEERN CC#C[C@](O)(CCC)[C@H]1CC1(C)C 307000756 572859899 /nfs/dbraw/zinc/85/98/99/572859899.db2.gz BTONUUVRIXCXGT-CMPLNLGQSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(C)CC(=O)c1cc(C)cc(C)n1 306906426 572860051 /nfs/dbraw/zinc/86/00/51/572860051.db2.gz MIPHDXJKLVBJOS-UHFFFAOYSA-N 0 0 189.258 2.847 10 30 AFEERN C=C[C@@H](C#N)Cc1ccccc1 75543145 572860057 /nfs/dbraw/zinc/86/00/57/572860057.db2.gz KWHQMIPNIGZNMV-SNVBAGLBSA-N 0 0 157.216 2.555 10 30 AFEERN CCC/C=C/[C@@H]1C=CC[C@H]1C=O 75546327 572860072 /nfs/dbraw/zinc/86/00/72/572860072.db2.gz YZAASNRZMWBZEK-MRUFAENASA-N 0 0 164.248 2.734 10 30 AFEERN CC#C[C@]1(O)CCCC12CCCCC2 307034216 572860087 /nfs/dbraw/zinc/86/00/87/572860087.db2.gz SNJHOWDZHMEFPA-ZDUSSCGKSA-N 0 0 192.302 2.875 10 30 AFEERN Cc1cc(C(C)(C)C)c(C#N)o1 75545787 572860091 /nfs/dbraw/zinc/86/00/91/572860091.db2.gz CLCFKGDBZVZZOG-UHFFFAOYSA-N 0 0 163.220 2.757 10 30 AFEERN C=CCC[C@@H](C)SC[C@H](C)CO 307962822 572860101 /nfs/dbraw/zinc/86/01/01/572860101.db2.gz YPBSVYIVLKQWIB-NXEZZACHSA-N 0 0 188.336 2.703 10 30 AFEERN C=C1CC[C@H]2CCC[C@]2(C)[C@H](O)C1 306998727 572860107 /nfs/dbraw/zinc/86/01/07/572860107.db2.gz YKLICNHINXTQRX-UTUOFQBUSA-N 0 0 180.291 2.894 10 30 AFEERN C=CCC[C@H](C)SC[C@H](C)CO 307962825 572860115 /nfs/dbraw/zinc/86/01/15/572860115.db2.gz YPBSVYIVLKQWIB-ZJUUUORDSA-N 0 0 188.336 2.703 10 30 AFEERN C=C(c1ccccc1)[C@H](C)C#N 75543161 572860116 /nfs/dbraw/zinc/86/01/16/572860116.db2.gz KAROJRSCJMGFDE-SECBINFHSA-N 0 0 157.216 2.859 10 30 AFEERN N#CC12CCC=CC1C=CCC2 75544166 572860144 /nfs/dbraw/zinc/86/01/44/572860144.db2.gz DEMOGVFVEQZPAW-UHFFFAOYSA-N 0 0 159.232 2.813 10 30 AFEERN CCC[C@H]1CCCC(=NN)CC1 319908329 572860248 /nfs/dbraw/zinc/86/02/48/572860248.db2.gz FSKYWQDXKKQCJT-VIFPVBQESA-N 0 0 168.284 2.682 10 30 AFEERN C/C=C\[C@H](C#N)CCCC 714567468 572860257 /nfs/dbraw/zinc/86/02/57/572860257.db2.gz ADOFVDXJDRSXFI-RNEXMXFGSA-N 0 0 137.226 2.892 10 30 AFEERN C=CC[C@H](C#N)c1cccs1 75545868 572860283 /nfs/dbraw/zinc/86/02/83/572860283.db2.gz MVJYXMJCVIVTIE-MRVPVSSYSA-N 0 0 163.245 2.931 10 30 AFEERN CCC[C@@H](CC#N)SCC 75543272 572860332 /nfs/dbraw/zinc/86/03/32/572860332.db2.gz UDEVXTGNZCTKAX-QMMMGPOBSA-N 0 0 157.282 2.822 10 30 AFEERN N#CCCC[C@H]1CCC[C@H]1C#N 75545459 572860335 /nfs/dbraw/zinc/86/03/35/572860335.db2.gz KJCLKTWFAACJJH-UWVGGRQHSA-N 0 0 162.236 2.620 10 30 AFEERN Cc1[nH]c(C2CCCCC2)nc1C#N 77589039 572860645 /nfs/dbraw/zinc/86/06/45/572860645.db2.gz WPCSFDGTARJBEQ-UHFFFAOYSA-N 0 0 189.262 2.638 10 30 AFEERN C=CC(C)(C)[C@H](C=O)C/C=C/C 75554741 572860651 /nfs/dbraw/zinc/86/06/51/572860651.db2.gz IFSWMYDWOWUSBY-STUBTGCMSA-N 0 0 166.264 2.980 10 30 AFEERN Cc1cc(C(C)(C)C)c(C#N)cn1 75561728 572865176 /nfs/dbraw/zinc/86/51/76/572865176.db2.gz LOAJSEPIWNHIRF-UHFFFAOYSA-N 0 0 174.247 2.559 10 30 AFEERN C#C[C@H](O)c1cccc2ccsc12 306974377 572860929 /nfs/dbraw/zinc/86/09/29/572860929.db2.gz MGDORXJHXXQJJO-JTQLQIEISA-N 0 0 188.251 2.568 10 30 AFEERN C[C@@H](C=O)C[C@@H](C)c1ccco1 75547334 572860974 /nfs/dbraw/zinc/86/09/74/572860974.db2.gz JIRMBCCJDMQGCL-RKDXNWHRSA-N 0 0 166.220 2.608 10 30 AFEERN C=C[C@H](C)[C@@H](C=O)C(C)(C)C=C 75554751 572861063 /nfs/dbraw/zinc/86/10/63/572861063.db2.gz HBZIHUGOWMEOGP-VHSXEESVSA-N 0 0 166.264 2.836 10 30 AFEERN Cc1ccccc1-c1nc(C#N)c(C)[nH]1 77589058 572861098 /nfs/dbraw/zinc/86/10/98/572861098.db2.gz VOPFMCMBVARYRG-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN Cc1ccc(-c2nc(C#N)c(C)[nH]2)cc1 77589057 572861153 /nfs/dbraw/zinc/86/11/53/572861153.db2.gz DOWRWXSZLQOPMP-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C[C@@]1(C#N)CC=Cc2ccccc21 75557958 572864467 /nfs/dbraw/zinc/86/44/67/572864467.db2.gz JXTNCUBVGMDUAW-LBPRGKRZSA-N 0 0 169.227 2.885 10 30 AFEERN C#CCCCC[C@@H]1C=CC(=O)CC1 238598848 572861273 /nfs/dbraw/zinc/86/12/73/572861273.db2.gz JZXRHADRGNVHRH-LLVKDONJSA-N 0 0 176.259 2.715 10 30 AFEERN C=C[C@@H](C)[C@@H](C=O)C(C)(C)C=C 75554757 572861355 /nfs/dbraw/zinc/86/13/55/572861355.db2.gz HBZIHUGOWMEOGP-NXEZZACHSA-N 0 0 166.264 2.836 10 30 AFEERN Cc1ccc(C)c2c1C(=NO)C[C@H]2C 714565740 572861364 /nfs/dbraw/zinc/86/13/64/572861364.db2.gz QEXPQZXYCBHRAC-SECBINFHSA-N 0 0 189.258 2.989 10 30 AFEERN C=C1[C@@H]([C@H](O)CC)C[C@H]2C[C@@H]1C2(C)C 306946237 572861418 /nfs/dbraw/zinc/86/14/18/572861418.db2.gz MEDJSARTXPDGBJ-FIQHERPVSA-N 0 0 194.318 2.996 10 30 AFEERN C=C(/C=C\C)[C@@H](O)c1ccccc1 308148275 572861459 /nfs/dbraw/zinc/86/14/59/572861459.db2.gz DXBCGBJNELOHIE-AUXFESMGSA-N 0 0 174.243 2.852 10 30 AFEERN C=C(/C=C\C)[C@H](O)c1ccccc1 308148280 572861473 /nfs/dbraw/zinc/86/14/73/572861473.db2.gz DXBCGBJNELOHIE-MIBUCLJRSA-N 0 0 174.243 2.852 10 30 AFEERN C=C[C@@H](C)[C@H](C=O)C(C)(C)C=C 75554762 572861475 /nfs/dbraw/zinc/86/14/75/572861475.db2.gz HBZIHUGOWMEOGP-ZJUUUORDSA-N 0 0 166.264 2.836 10 30 AFEERN Cc1cccc(-c2nc(C#N)c(C)[nH]2)c1 77589059 572861573 /nfs/dbraw/zinc/86/15/73/572861573.db2.gz DIESXDZVUFUSTF-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C[C@H](C=O)C[C@H](C)c1ccco1 75547338 572861628 /nfs/dbraw/zinc/86/16/28/572861628.db2.gz JIRMBCCJDMQGCL-IUCAKERBSA-N 0 0 166.220 2.608 10 30 AFEERN C/C=C\[C@@H](C#N)CCCC 714567473 572861708 /nfs/dbraw/zinc/86/17/08/572861708.db2.gz ADOFVDXJDRSXFI-XTULLQBASA-N 0 0 137.226 2.892 10 30 AFEERN C=CC(C)(C)[C@@H](C=O)C/C=C/C 75554748 572861814 /nfs/dbraw/zinc/86/18/14/572861814.db2.gz IFSWMYDWOWUSBY-BREXMAIKSA-N 0 0 166.264 2.980 10 30 AFEERN C=C/C=C/[C@@H](CC=O)C(C)(C)C 75554818 572861846 /nfs/dbraw/zinc/86/18/46/572861846.db2.gz UGTFVRKIBZFHSU-FGEFZZPRSA-N 0 0 166.264 2.980 10 30 AFEERN C=C(COC)[C@@]1(O)CCCC(C)(C)C1 307071506 572861941 /nfs/dbraw/zinc/86/19/41/572861941.db2.gz GQFYEZBOTRVQLZ-GFCCVEGCSA-N 0 0 198.306 2.520 10 30 AFEERN CC#C[C@@H](F)c1cccc2c1NCC2 306919312 572861993 /nfs/dbraw/zinc/86/19/93/572861993.db2.gz BBVIMZQTJPAXSU-LLVKDONJSA-N 0 0 189.233 2.689 10 30 AFEERN CCCc1occc1[C@@H](C)C=O 75547362 572862145 /nfs/dbraw/zinc/86/21/45/572862145.db2.gz ASEAQNAOQQWKBF-QMMMGPOBSA-N 0 0 166.220 2.535 10 30 AFEERN C=C/C=C/[C@H](CC=O)C(C)(C)C 75554814 572862235 /nfs/dbraw/zinc/86/22/35/572862235.db2.gz UGTFVRKIBZFHSU-VQCYPWCPSA-N 0 0 166.264 2.980 10 30 AFEERN CCCCCCCCC(=O)[C@@H](C)O 118703137 572862469 /nfs/dbraw/zinc/86/24/69/572862469.db2.gz SGQJZEDJWXPBIT-SNVBAGLBSA-N 0 0 186.295 2.687 10 30 AFEERN CCCCCCCCC(=O)[C@H](C)O 118703138 572862508 /nfs/dbraw/zinc/86/25/08/572862508.db2.gz SGQJZEDJWXPBIT-JTQLQIEISA-N 0 0 186.295 2.687 10 30 AFEERN C#CCCCSCCCCC=O 238609121 572862519 /nfs/dbraw/zinc/86/25/19/572862519.db2.gz XMNNRLSTOKKXQD-UHFFFAOYSA-N 0 0 184.304 2.502 10 30 AFEERN CC[C@@H]1C[C@@H]1[C@@H](O)CC#CC(C)(C)C 307041528 572862726 /nfs/dbraw/zinc/86/27/26/572862726.db2.gz KZQNBPZLNGRWPG-WOPDTQHZSA-N 0 0 194.318 2.833 10 30 AFEERN C[C@@H](C[C@@H](C)C=O)c1ccco1 75547342 572862748 /nfs/dbraw/zinc/86/27/48/572862748.db2.gz JIRMBCCJDMQGCL-BDAKNGLRSA-N 0 0 166.220 2.608 10 30 AFEERN O=CCCC[C@]12CCCC[C@H]1C2 238611037 572862997 /nfs/dbraw/zinc/86/29/97/572862997.db2.gz VRZSXHJPSYHUEW-QWRGUYRKSA-N 0 0 166.264 2.936 10 30 AFEERN C#CCc1cc(Cl)cc(Cl)n1 307025898 572863153 /nfs/dbraw/zinc/86/31/53/572863153.db2.gz ICWKGGJXIXJADP-UHFFFAOYSA-N 0 0 186.041 2.564 10 30 AFEERN O=CCCC[C@H]1CCCCCC1=O 238610834 572863193 /nfs/dbraw/zinc/86/31/93/572863193.db2.gz QDZMLAURGLOJQT-SNVBAGLBSA-N 0 0 182.263 2.505 10 30 AFEERN C=C[C@H]1[C@@H](CO)C[C@@H]2CC(C)(C)C[C@@H]21 307042636 572863227 /nfs/dbraw/zinc/86/32/27/572863227.db2.gz SELGYUFHWLYJNJ-WYUUTHIRSA-N 0 0 194.318 2.853 10 30 AFEERN C=CCC[C@@]1(O)CCCS[C@@H]1C 307061233 572863254 /nfs/dbraw/zinc/86/32/54/572863254.db2.gz FAJQEDNFMCNTET-NXEZZACHSA-N 0 0 186.320 2.599 10 30 AFEERN O=CCCCCCc1ccco1 238608820 572863283 /nfs/dbraw/zinc/86/32/83/572863283.db2.gz QJRSZKHXRDWKQV-UHFFFAOYSA-N 0 0 166.220 2.581 10 30 AFEERN CS[C@@H]1CCCC[C@]1(C)C#N 75558173 572863326 /nfs/dbraw/zinc/86/33/26/572863326.db2.gz WVQPBIDTTSPUSU-RKDXNWHRSA-N 0 0 169.293 2.822 10 30 AFEERN CC(=O)CC[C@H](CC#N)C(C)C 75555486 572863341 /nfs/dbraw/zinc/86/33/41/572863341.db2.gz KXBZBVMOIVFWLC-SNVBAGLBSA-N 0 0 167.252 2.541 10 30 AFEERN O=CCCC[C@@H]1CCCCCC1=O 238610323 572863345 /nfs/dbraw/zinc/86/33/45/572863345.db2.gz QDZMLAURGLOJQT-JTQLQIEISA-N 0 0 182.263 2.505 10 30 AFEERN CCOC(C)(C)[C@H](C)CCC#N 75558044 572863364 /nfs/dbraw/zinc/86/33/64/572863364.db2.gz YCLHNIJKKSFLMC-SECBINFHSA-N 0 0 169.268 2.741 10 30 AFEERN CS[C@H]1CCCC[C@]1(C)C#N 75558157 572863545 /nfs/dbraw/zinc/86/35/45/572863545.db2.gz WVQPBIDTTSPUSU-DTWKUNHWSA-N 0 0 169.293 2.822 10 30 AFEERN C=CCc1c(N)ncc2ccccc12 307013715 572863590 /nfs/dbraw/zinc/86/35/90/572863590.db2.gz RRFQXHCQPNMCIY-UHFFFAOYSA-N 0 0 184.242 2.546 10 30 AFEERN CCc1[nH]c(-c2ccccc2)nc1C#N 77589236 572863654 /nfs/dbraw/zinc/86/36/54/572863654.db2.gz RHXLCIPRQJOOMO-UHFFFAOYSA-N 0 0 197.241 2.511 10 30 AFEERN C=CCc1ccc(O)c(Cl)c1 75557213 572863720 /nfs/dbraw/zinc/86/37/20/572863720.db2.gz UMJVBJVPFOCHFT-UHFFFAOYSA-N 0 0 168.623 2.774 10 30 AFEERN C=C[C@]12CCCC(=O)[C@H]1CC[C@H]2C 307082715 572865778 /nfs/dbraw/zinc/86/57/78/572865778.db2.gz JXIOQVHDPUGBJM-CKYFFXLPSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)c1c(C#N)cnc2c1CCC2 75561650 572863784 /nfs/dbraw/zinc/86/37/84/572863784.db2.gz JTGNFHOIHNFHCO-UHFFFAOYSA-N 0 0 186.258 2.565 10 30 AFEERN C[C@]1(C#N)C=CCc2ccccc21 75557938 572863812 /nfs/dbraw/zinc/86/38/12/572863812.db2.gz PDLREISTOQPYJF-GFCCVEGCSA-N 0 0 169.227 2.580 10 30 AFEERN CC(C)c1nc(C#N)c(C(C)(C)C)[nH]1 77589117 572863838 /nfs/dbraw/zinc/86/38/38/572863838.db2.gz LWRZOHFTUIWVAA-UHFFFAOYSA-N 0 0 191.278 2.702 10 30 AFEERN C=CC[C@H](C=O)CCCCC 118714049 572863868 /nfs/dbraw/zinc/86/38/68/572863868.db2.gz ABNHYXHBBQDCHX-JTQLQIEISA-N 0 0 154.253 2.958 10 30 AFEERN C=CC[C@@H](C=O)CCCCC 118714046 572863964 /nfs/dbraw/zinc/86/39/64/572863964.db2.gz ABNHYXHBBQDCHX-SNVBAGLBSA-N 0 0 154.253 2.958 10 30 AFEERN O=CCCC[C@@]12CCCC[C@@H]1C2 238610552 572864063 /nfs/dbraw/zinc/86/40/63/572864063.db2.gz VRZSXHJPSYHUEW-GHMZBOCLSA-N 0 0 166.264 2.936 10 30 AFEERN C[C@]1(C#N)CC=Cc2ccccc21 75557951 572864167 /nfs/dbraw/zinc/86/41/67/572864167.db2.gz JXTNCUBVGMDUAW-GFCCVEGCSA-N 0 0 169.227 2.885 10 30 AFEERN CC(=O)CC[C@@H](CC#N)C(C)C 75555484 572864360 /nfs/dbraw/zinc/86/43/60/572864360.db2.gz KXBZBVMOIVFWLC-JTQLQIEISA-N 0 0 167.252 2.541 10 30 AFEERN C=C(C)CCNc1ccc(N)cc1 307032467 572864518 /nfs/dbraw/zinc/86/45/18/572864518.db2.gz LCPAHEZCCQYYJO-UHFFFAOYSA-N 0 0 176.263 2.647 10 30 AFEERN CS[C@H]1CCCC[C@@]1(C)C#N 75558168 572864544 /nfs/dbraw/zinc/86/45/44/572864544.db2.gz WVQPBIDTTSPUSU-IUCAKERBSA-N 0 0 169.293 2.822 10 30 AFEERN N#Cc1cnc2c(c1C1CC1)CCCC2 75561682 572864735 /nfs/dbraw/zinc/86/47/35/572864735.db2.gz AMHNVVBRMQOSLC-UHFFFAOYSA-N 0 0 198.269 2.709 10 30 AFEERN C[C@@]1(C#N)C=CCc2ccccc21 75557943 572864757 /nfs/dbraw/zinc/86/47/57/572864757.db2.gz PDLREISTOQPYJF-LBPRGKRZSA-N 0 0 169.227 2.580 10 30 AFEERN Cc1ccc2oc(C)c(C#N)c2c1 75560926 572864911 /nfs/dbraw/zinc/86/49/11/572864911.db2.gz CXXIJPMKLSPMBP-UHFFFAOYSA-N 0 0 171.199 2.921 10 30 AFEERN CS[C@]1(C)CCCC[C@@H]1C#N 75558187 572865063 /nfs/dbraw/zinc/86/50/63/572865063.db2.gz YONZQHFKORGWKR-RKDXNWHRSA-N 0 0 169.293 2.822 10 30 AFEERN Cc1oc2c(C)cccc2c1C#N 75560919 572865105 /nfs/dbraw/zinc/86/51/05/572865105.db2.gz GEAMEXCPRIISQJ-UHFFFAOYSA-N 0 0 171.199 2.921 10 30 AFEERN CC[C@H](C)NN=C1CCC[C@H]1C 307964857 572865126 /nfs/dbraw/zinc/86/51/26/572865126.db2.gz BJIHZAZGSXFAIG-BDAKNGLRSA-N 0 0 168.284 2.551 10 30 AFEERN CS[C@@]1(C)CCCC[C@@H]1C#N 75558184 572865233 /nfs/dbraw/zinc/86/52/33/572865233.db2.gz YONZQHFKORGWKR-BDAKNGLRSA-N 0 0 169.293 2.822 10 30 AFEERN C[C@@H](CC#N)c1ccsc1 205429773 572865327 /nfs/dbraw/zinc/86/53/27/572865327.db2.gz MEHXLMQXSRZFJG-ZETCQYMHSA-N 0 0 151.234 2.765 10 30 AFEERN C=C[C@@H](O)c1cc(C)nc2ccccc12 86113758 572865412 /nfs/dbraw/zinc/86/54/12/572865412.db2.gz JPJXYMCRUFFCNB-CYBMUJFWSA-N 0 0 199.253 2.763 10 30 AFEERN CS[C@@H]1CCCC[C@@]1(C)C#N 75558180 572865441 /nfs/dbraw/zinc/86/54/41/572865441.db2.gz WVQPBIDTTSPUSU-BDAKNGLRSA-N 0 0 169.293 2.822 10 30 AFEERN Cc1cccc(-c2[nH]c(C)nc2C#N)c1 77595480 572865507 /nfs/dbraw/zinc/86/55/07/572865507.db2.gz SFFCIMJIFCTKKI-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C#CCCC[C@]1(O)CCCC12CCC2 307033331 572865602 /nfs/dbraw/zinc/86/56/02/572865602.db2.gz LTUBUOUISHWCKL-ZDUSSCGKSA-N 0 0 192.302 2.875 10 30 AFEERN C=CCCOCc1cccc(Cl)n1 86114880 572865668 /nfs/dbraw/zinc/86/56/68/572865668.db2.gz ACGNDUUVJHDKHH-UHFFFAOYSA-N 0 0 197.665 2.828 10 30 AFEERN CCCCNN=C(C)CC1CC1 307965561 572865794 /nfs/dbraw/zinc/86/57/94/572865794.db2.gz BQGOTJAPDIIDAL-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN CC[C@H](C)NN=C1CCC[C@@H]1C 307964866 572865885 /nfs/dbraw/zinc/86/58/85/572865885.db2.gz BJIHZAZGSXFAIG-IUCAKERBSA-N 0 0 168.284 2.551 10 30 AFEERN C=C[C@@H]1C[C@@H]2C(C)=C[C@H]1C(=O)[C@H]2C 307066573 572865891 /nfs/dbraw/zinc/86/58/91/572865891.db2.gz KAXFGRQFXPWPJJ-LNFKQOIKSA-N 0 0 176.259 2.590 10 30 AFEERN Cc1ccc(-c2[nH]c(C)nc2C#N)cc1 77595459 572866152 /nfs/dbraw/zinc/86/61/52/572866152.db2.gz HLYSMCAWOOCPSE-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C=C(C)[C@H](C)OCCCC 32218579 572866169 /nfs/dbraw/zinc/86/61/69/572866169.db2.gz JRVFSWDOZZJZOS-VIFPVBQESA-N 0 0 142.242 2.768 10 30 AFEERN C=C[C@H](O)c1cc(C)nc2ccccc12 86113761 572866178 /nfs/dbraw/zinc/86/61/78/572866178.db2.gz JPJXYMCRUFFCNB-ZDUSSCGKSA-N 0 0 199.253 2.763 10 30 AFEERN C[C@](C#N)(C1CC1)N1CCCCCC1 38086184 572866190 /nfs/dbraw/zinc/86/61/90/572866190.db2.gz YEYGAZDQLVQFRP-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN C=CC/C=C/Cc1ccccc1N 75563802 572866206 /nfs/dbraw/zinc/86/62/06/572866206.db2.gz JHVDVBPDHYADEX-SNAWJCMRSA-N 0 0 173.259 2.944 10 30 AFEERN CCO/C=C/c1ccccc1C#N 75563478 572866457 /nfs/dbraw/zinc/86/64/57/572866457.db2.gz HUIHFPWFJLICJF-BQYQJAHWSA-N 0 0 173.215 2.565 10 30 AFEERN CC/C=C/c1ccn(CCC#N)c1 75564870 572866465 /nfs/dbraw/zinc/86/64/65/572866465.db2.gz YSUMQJCLJKTSMN-HWKANZROSA-N 0 0 174.247 2.825 10 30 AFEERN O=CCCC[C@@H]1CCCCS1 75563030 572866471 /nfs/dbraw/zinc/86/64/71/572866471.db2.gz SDUVEVAUTCELDW-SECBINFHSA-N 0 0 172.293 2.641 10 30 AFEERN C/C(Cl)=C/CSCCC#N 75565839 572866584 /nfs/dbraw/zinc/86/65/84/572866584.db2.gz MSSNZAIVMAVWDJ-CLTKARDFSA-N 0 0 175.684 2.776 10 30 AFEERN C=C[C@@](C)(CC=O)c1ccccc1 75564695 572866590 /nfs/dbraw/zinc/86/65/90/572866590.db2.gz ISUSXGPFAARWQH-LBPRGKRZSA-N 0 0 174.243 2.719 10 30 AFEERN C=CCCC(=O)OCC(C)(C)C 307965575 572866627 /nfs/dbraw/zinc/86/66/27/572866627.db2.gz QRDVXVWDHKVTES-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN CC[C@@H]1C[C@H]1[C@H](O)CC#CC(C)(C)C 307041526 572866666 /nfs/dbraw/zinc/86/66/66/572866666.db2.gz KZQNBPZLNGRWPG-IJLUTSLNSA-N 0 0 194.318 2.833 10 30 AFEERN C=C[C@H](C)c1cccc(OC)c1N 75567629 572866693 /nfs/dbraw/zinc/86/66/93/572866693.db2.gz DAXIGGUYSVMSOE-QMMMGPOBSA-N 0 0 177.247 2.567 10 30 AFEERN CO/C(=C\CC#N)c1ccccc1 75563438 572866700 /nfs/dbraw/zinc/86/67/00/572866700.db2.gz WTEYKONSHWXUQS-FLIBITNWSA-N 0 0 173.215 2.588 10 30 AFEERN C=CCC[C@@]1(O)CCCC[C@@H]1C 307096506 572866694 /nfs/dbraw/zinc/86/66/94/572866694.db2.gz DPSWHLVMVBJSFD-WDEREUQCSA-N 0 0 168.280 2.894 10 30 AFEERN C=C[C@](C)(CC=O)c1ccccc1 75564698 572866730 /nfs/dbraw/zinc/86/67/30/572866730.db2.gz ISUSXGPFAARWQH-GFCCVEGCSA-N 0 0 174.243 2.719 10 30 AFEERN COc1ccc(C)c([C@H](C)C#N)c1 75565541 572866757 /nfs/dbraw/zinc/86/67/57/572866757.db2.gz FHDRQRNWNZROQY-SECBINFHSA-N 0 0 175.231 2.631 10 30 AFEERN Cc1nc(C#N)c(C2CCCCC2)[nH]1 77595100 572866866 /nfs/dbraw/zinc/86/68/66/572866866.db2.gz XWZXBDIPWYXPEQ-UHFFFAOYSA-N 0 0 189.262 2.638 10 30 AFEERN O=CCCC[C@H]1COc2ccccc21 86108275 572867009 /nfs/dbraw/zinc/86/70/09/572867009.db2.gz SZHBVJYAZITTCV-JTQLQIEISA-N 0 0 190.242 2.532 10 30 AFEERN CCSNc1ccc(C#N)cc1 75568731 572867048 /nfs/dbraw/zinc/86/70/48/572867048.db2.gz AJEUCZYTNJEGMM-UHFFFAOYSA-N 0 0 178.260 2.638 10 30 AFEERN N#CCCCCCc1ccncc1 75564867 572867112 /nfs/dbraw/zinc/86/71/12/572867112.db2.gz UQPHVBHZLYQHCI-UHFFFAOYSA-N 0 0 174.247 2.708 10 30 AFEERN Cc1nc(C#N)c(-c2ccccc2C)[nH]1 77595469 572867153 /nfs/dbraw/zinc/86/71/53/572867153.db2.gz YKSAZGBCJVHJIP-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN O=CCC/C=C\Cc1ccccc1 75564747 572867300 /nfs/dbraw/zinc/86/73/00/572867300.db2.gz RXBQGWPYJVKUCR-RJRFIUFISA-N 0 0 174.243 2.764 10 30 AFEERN C/C=C(\C)[C@H](CC=O)C(C)(C)C#N 75569518 572867327 /nfs/dbraw/zinc/86/73/27/572867327.db2.gz FLPVCCVJEQNLCY-CYNRKNSPSA-N 0 0 179.263 2.708 10 30 AFEERN CCCCC#C[C@@](C)(O)/C=C/Cl 307054772 572867520 /nfs/dbraw/zinc/86/75/20/572867520.db2.gz RRVWAQYQNBISPY-AAXQSMANSA-N 0 0 186.682 2.684 10 30 AFEERN CC[C@@H](C)NN=C1CCC[C@H]1C 307964870 572867529 /nfs/dbraw/zinc/86/75/29/572867529.db2.gz BJIHZAZGSXFAIG-RKDXNWHRSA-N 0 0 168.284 2.551 10 30 AFEERN CCc1ccc2[nH]c(CS)nc2c1 71743237 572867540 /nfs/dbraw/zinc/86/75/40/572867540.db2.gz LVALLRORFNTHNK-UHFFFAOYSA-N 0 0 192.287 2.555 10 30 AFEERN CC(C)Cc1[nH]c(C(C)C)nc1C#N 77595126 572867567 /nfs/dbraw/zinc/86/75/67/572867567.db2.gz BYCXXRKCJIFHGG-UHFFFAOYSA-N 0 0 191.278 2.603 10 30 AFEERN C=CC[C@@H](C#N)c1cccc(C)n1 75562909 572867777 /nfs/dbraw/zinc/86/77/77/572867777.db2.gz OFNDACHHKKLACJ-JTQLQIEISA-N 0 0 172.231 2.573 10 30 AFEERN Cc1ccc2c(c1)[C@@H](C=O)CCC2 75564729 572867784 /nfs/dbraw/zinc/86/77/84/572867784.db2.gz LXPKUQSGEHVMBC-LLVKDONJSA-N 0 0 174.243 2.614 10 30 AFEERN C#Cc1ccc(C#C/C=C\Cl)cc1 307017303 572867905 /nfs/dbraw/zinc/86/79/05/572867905.db2.gz PYRJBOLUCGVGQA-WMZJFQQLSA-N 0 0 186.641 2.772 10 30 AFEERN C/C=C(\C)[C@@H](CC=O)C(C)(C)C#N 75569516 572867969 /nfs/dbraw/zinc/86/79/69/572867969.db2.gz FLPVCCVJEQNLCY-NAZIUFLLSA-N 0 0 179.263 2.708 10 30 AFEERN CC[C@@H](C)NN=C1CCC[C@@H]1C 307964861 572867981 /nfs/dbraw/zinc/86/79/81/572867981.db2.gz BJIHZAZGSXFAIG-DTWKUNHWSA-N 0 0 168.284 2.551 10 30 AFEERN O=CCCC[C@H]1CCCCS1 75563034 572868080 /nfs/dbraw/zinc/86/80/80/572868080.db2.gz SDUVEVAUTCELDW-VIFPVBQESA-N 0 0 172.293 2.641 10 30 AFEERN C=C[C@@H](C)c1cccc(OC)c1N 75567631 572868134 /nfs/dbraw/zinc/86/81/34/572868134.db2.gz DAXIGGUYSVMSOE-MRVPVSSYSA-N 0 0 177.247 2.567 10 30 AFEERN CCCC[C@@H](C#N)c1ccncc1 75564820 572868558 /nfs/dbraw/zinc/86/85/58/572868558.db2.gz MHWQGCTXMRDURM-NSHDSACASA-N 0 0 174.247 2.879 10 30 AFEERN Cc1ccc2c(c1)[C@H](C=O)CCC2 75564727 572868242 /nfs/dbraw/zinc/86/82/42/572868242.db2.gz LXPKUQSGEHVMBC-NSHDSACASA-N 0 0 174.243 2.614 10 30 AFEERN C#CCCC(=O)C1=CC[C@H](C)CC1 235377187 572868344 /nfs/dbraw/zinc/86/83/44/572868344.db2.gz FITAHODVNZUXOX-JTQLQIEISA-N 0 0 176.259 2.715 10 30 AFEERN C=C1c2c(O)cccc2OC1(C)C 75566413 572868377 /nfs/dbraw/zinc/86/83/77/572868377.db2.gz OLARQRZTVJHARB-UHFFFAOYSA-N 0 0 176.215 2.576 10 30 AFEERN C=C[C@]1(C)CC[C@H](O)C[C@@H]1C(=C)C 32214770 572868509 /nfs/dbraw/zinc/86/85/09/572868509.db2.gz YEPUCRTYSFMUJR-QJPTWQEYSA-N 0 0 180.291 2.916 10 30 AFEERN CCCC[C@H](C#N)c1ccncc1 75564821 572868555 /nfs/dbraw/zinc/86/85/55/572868555.db2.gz MHWQGCTXMRDURM-LLVKDONJSA-N 0 0 174.247 2.879 10 30 AFEERN CC[C@H](C)NN=C1CCC1(C)C 307966077 572868598 /nfs/dbraw/zinc/86/85/98/572868598.db2.gz BXUNIWCKROYZDW-QMMMGPOBSA-N 0 0 168.284 2.551 10 30 AFEERN CC[C@@H](C)NN=C1CCC1(C)C 307966076 572868746 /nfs/dbraw/zinc/86/87/46/572868746.db2.gz BXUNIWCKROYZDW-MRVPVSSYSA-N 0 0 168.284 2.551 10 30 AFEERN CC[C@@H]1CCC1=NOCCSC 307966831 572868737 /nfs/dbraw/zinc/86/87/37/572868737.db2.gz COODDYUWIHHANW-MRVPVSSYSA-N 0 0 187.308 2.542 10 30 AFEERN O=CCCC[C@@H]1COc2ccccc21 86108272 572868810 /nfs/dbraw/zinc/86/88/10/572868810.db2.gz SZHBVJYAZITTCV-SNVBAGLBSA-N 0 0 190.242 2.532 10 30 AFEERN C=C(C)[C@@](O)(CC)c1ccsc1 307085282 572868852 /nfs/dbraw/zinc/86/88/52/572868852.db2.gz XISAEBOCKPGZOL-JTQLQIEISA-N 0 0 182.288 2.922 10 30 AFEERN CC(CCC(C)C)=NNC1CC1 307966608 572868972 /nfs/dbraw/zinc/86/89/72/572868972.db2.gz RPQTVXVWUWSEHV-UHFFFAOYSA-N 0 0 168.284 2.551 10 30 AFEERN CC(C)(C)[C@@H](C=O)Cc1ccco1 75570163 572869010 /nfs/dbraw/zinc/86/90/10/572869010.db2.gz NPBRIPQPRPGPOW-SECBINFHSA-N 0 0 180.247 2.683 10 30 AFEERN N#Cc1ccc2cc(C#N)sc2c1 75576516 572869026 /nfs/dbraw/zinc/86/90/26/572869026.db2.gz SXJSLTWYOWECBR-UHFFFAOYSA-N 0 0 184.223 2.645 10 30 AFEERN CC(C)O[C@@H]1CCC[C@@H]1CCC#N 75575763 572869108 /nfs/dbraw/zinc/86/91/08/572869108.db2.gz GWMNWIVMQSDJCY-GHMZBOCLSA-N 0 0 181.279 2.884 10 30 AFEERN CCO[C@@H]1CCCC[C@H]1CCC#N 75575753 572869112 /nfs/dbraw/zinc/86/91/12/572869112.db2.gz SCWNSGDXLTYRPL-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CSc1c(Cl)cccc1C#N 75576368 572869117 /nfs/dbraw/zinc/86/91/17/572869117.db2.gz HPCWHFVDEVBINA-UHFFFAOYSA-N 0 0 183.663 2.934 10 30 AFEERN CCO[C@H]1CCCC[C@@H]1CCC#N 75575752 572869139 /nfs/dbraw/zinc/86/91/39/572869139.db2.gz SCWNSGDXLTYRPL-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@H]1CCC1=NOCCSC 307966832 572869157 /nfs/dbraw/zinc/86/91/57/572869157.db2.gz COODDYUWIHHANW-QMMMGPOBSA-N 0 0 187.308 2.542 10 30 AFEERN Cc1ccc([C@](C)(Cl)C#N)cc1 75569684 572869219 /nfs/dbraw/zinc/86/92/19/572869219.db2.gz BVIMMTRONDXWJJ-SNVBAGLBSA-N 0 0 179.650 2.973 10 30 AFEERN C[C@@H](CC=O)Sc1ccccc1 75570300 572869249 /nfs/dbraw/zinc/86/92/49/572869249.db2.gz ZATQOYXJRKGDQE-VIFPVBQESA-N 0 0 180.272 2.756 10 30 AFEERN C#CC[C@@H](O)C1(C)CCCCCC1 307018489 572869259 /nfs/dbraw/zinc/86/92/59/572869259.db2.gz XCJUPTOALCIDAC-LLVKDONJSA-N 0 0 180.291 2.731 10 30 AFEERN CCC(N=N[C@H](C)CC)C1CC1 307966441 572869306 /nfs/dbraw/zinc/86/93/06/572869306.db2.gz CGWXTCUEIHRNHM-MRVPVSSYSA-N 0 0 168.284 2.551 10 30 AFEERN CCOc1ccc2nc(C#N)ccc2c1 205429913 572870730 /nfs/dbraw/zinc/87/07/30/572870730.db2.gz RRDITWWJNWTMTH-UHFFFAOYSA-N 0 0 198.225 2.505 10 30 AFEERN CCC(=NN[C@@H](C)CC)C1CC1 307966442 572869371 /nfs/dbraw/zinc/86/93/71/572869371.db2.gz CGWXTCUEIHRNHM-QMMMGPOBSA-N 0 0 168.284 2.551 10 30 AFEERN C=C[C@@H]1C[C@H]2C=CCCC(=O)[C@H]2C1 307078843 572869402 /nfs/dbraw/zinc/86/94/02/572869402.db2.gz QPIOYSQXVQXKGT-MXWKQRLJSA-N 0 0 176.259 2.734 10 30 AFEERN CCS[C@H](C=O)c1ccccc1 75570294 572869514 /nfs/dbraw/zinc/86/95/14/572869514.db2.gz YSKMEDFPYQBBTG-SNVBAGLBSA-N 0 0 180.272 2.680 10 30 AFEERN C=C(C)[C@H](O)Cc1cc(C)cc(C)c1 307046231 572869544 /nfs/dbraw/zinc/86/95/44/572869544.db2.gz XFXSUSQJTAWUTI-CYBMUJFWSA-N 0 0 190.286 2.783 10 30 AFEERN Cc1cc2ccc(C#N)nc2cc1C 75576007 572869572 /nfs/dbraw/zinc/86/95/72/572869572.db2.gz JIKHOFQJWZNANA-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN CO[C@@H]1CCCC[C@H]1CCCC#N 75575749 572869672 /nfs/dbraw/zinc/86/96/72/572869672.db2.gz HZYCBVWASQFRGZ-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN Cc1ccsc1CCCCC=O 75576129 572869801 /nfs/dbraw/zinc/86/98/01/572869801.db2.gz ROEOMZHOEUIXMG-UHFFFAOYSA-N 0 0 182.288 2.968 10 30 AFEERN CC(C)O/C=C1\CCCC[C@@H]1C=O 75576044 572869818 /nfs/dbraw/zinc/86/98/18/572869818.db2.gz OYUHNFUZLPEWCN-MXBGMFSPSA-N 0 0 182.263 2.684 10 30 AFEERN CCS[C@@H](C=O)c1ccccc1 75570292 572869871 /nfs/dbraw/zinc/86/98/71/572869871.db2.gz YSKMEDFPYQBBTG-JTQLQIEISA-N 0 0 180.272 2.680 10 30 AFEERN CC(C)(C)[C@H](C=O)Cc1ccco1 75570161 572869924 /nfs/dbraw/zinc/86/99/24/572869924.db2.gz NPBRIPQPRPGPOW-VIFPVBQESA-N 0 0 180.247 2.683 10 30 AFEERN CC(C)O[C@H]1CCC[C@H]1CCC#N 75575766 572869943 /nfs/dbraw/zinc/86/99/43/572869943.db2.gz GWMNWIVMQSDJCY-QWRGUYRKSA-N 0 0 181.279 2.884 10 30 AFEERN C=CCCc1c(C#N)cccc1C#N 75576008 572869955 /nfs/dbraw/zinc/86/99/55/572869955.db2.gz POKKSMVHXZJTFH-UHFFFAOYSA-N 0 0 182.226 2.549 10 30 AFEERN CC(=O)CCC1(C=O)CCCCC1 75576057 572870038 /nfs/dbraw/zinc/87/00/38/572870038.db2.gz KRVKEXHUJQGIAT-UHFFFAOYSA-N 0 0 182.263 2.505 10 30 AFEERN C=C(C(F)(F)F)[C@](C)(O)[C@H]1C[C@H]1C 307027643 572870058 /nfs/dbraw/zinc/87/00/58/572870058.db2.gz JYVHLGMJKVXKFU-DTLFHODZSA-N 0 0 194.196 2.512 10 30 AFEERN C=CC[C@]1(C#N)C=Nc2ccccc21 75576003 572870163 /nfs/dbraw/zinc/87/01/63/572870163.db2.gz SJSGDDGYZRSUSJ-LBPRGKRZSA-N 0 0 182.226 2.740 10 30 AFEERN C[C@H](CC=O)Sc1ccccc1 75570301 572870184 /nfs/dbraw/zinc/87/01/84/572870184.db2.gz ZATQOYXJRKGDQE-SECBINFHSA-N 0 0 180.272 2.756 10 30 AFEERN CC(C)O[C@H]1CCC[C@@H]1CCC#N 75575764 572870194 /nfs/dbraw/zinc/87/01/94/572870194.db2.gz GWMNWIVMQSDJCY-MNOVXSKESA-N 0 0 181.279 2.884 10 30 AFEERN C=C(Cl)Cc1cccc(C=O)c1 75570369 572870222 /nfs/dbraw/zinc/87/02/22/572870222.db2.gz XVPSGBKENVRDPV-UHFFFAOYSA-N 0 0 180.634 2.794 10 30 AFEERN CO[C@@H]1CCCC[C@@H]1CCCC#N 75575747 572870362 /nfs/dbraw/zinc/87/03/62/572870362.db2.gz HZYCBVWASQFRGZ-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN N#C[C@@]12C=CC[C@@H](C1)c1ccccc12 75575716 572870433 /nfs/dbraw/zinc/87/04/33/572870433.db2.gz GEFCWVBKEVYCFS-GXFFZTMASA-N 0 0 181.238 2.895 10 30 AFEERN Cc1ccc([C@@](C)(Cl)C#N)cc1 75569685 572870462 /nfs/dbraw/zinc/87/04/62/572870462.db2.gz BVIMMTRONDXWJJ-JTQLQIEISA-N 0 0 179.650 2.973 10 30 AFEERN CCO[C@H]1CCCC[C@H]1CCC#N 75575754 572870567 /nfs/dbraw/zinc/87/05/67/572870567.db2.gz SCWNSGDXLTYRPL-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CO[C@H]1CCCC[C@H]1CCCC#N 75575750 572870793 /nfs/dbraw/zinc/87/07/93/572870793.db2.gz HZYCBVWASQFRGZ-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN O=CCCCSc1ccccc1 75570309 572870802 /nfs/dbraw/zinc/87/08/02/572870802.db2.gz GCZRORCGBSJNGZ-UHFFFAOYSA-N 0 0 180.272 2.758 10 30 AFEERN CO[C@H]1CCCC[C@@H]1CCCC#N 75575748 572870805 /nfs/dbraw/zinc/87/08/05/572870805.db2.gz HZYCBVWASQFRGZ-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN CC(C)O/C=C1\CCCC[C@H]1C=O 75576045 572870807 /nfs/dbraw/zinc/87/08/07/572870807.db2.gz OYUHNFUZLPEWCN-NGPGYTDTSA-N 0 0 182.263 2.684 10 30 AFEERN CC[C@H](C=O)Sc1ccccc1 75570289 572870827 /nfs/dbraw/zinc/87/08/27/572870827.db2.gz GGNZCXGNPWLDAK-SECBINFHSA-N 0 0 180.272 2.756 10 30 AFEERN CC(C)O[C@@H]1CCC[C@H]1CCC#N 75575765 572870881 /nfs/dbraw/zinc/87/08/81/572870881.db2.gz GWMNWIVMQSDJCY-WDEREUQCSA-N 0 0 181.279 2.884 10 30 AFEERN C=CCc1cc(OC)c(Cl)cc1O 196561172 572870977 /nfs/dbraw/zinc/87/09/77/572870977.db2.gz GQNXARIQWNXUHX-UHFFFAOYSA-N 0 0 198.649 2.783 10 30 AFEERN C=CC[C@@]1(C#N)C=Nc2ccccc21 75576004 572871010 /nfs/dbraw/zinc/87/10/10/572871010.db2.gz SJSGDDGYZRSUSJ-GFCCVEGCSA-N 0 0 182.226 2.740 10 30 AFEERN CCO[C@@H]1CCCC[C@@H]1CCC#N 75575751 572871108 /nfs/dbraw/zinc/87/11/08/572871108.db2.gz SCWNSGDXLTYRPL-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN C=CC/C=C(\CO)c1ccccc1 308156645 572871273 /nfs/dbraw/zinc/87/12/73/572871273.db2.gz RCNLZTPWPMYLDD-KPKJPENVSA-N 0 0 174.243 2.638 10 30 AFEERN C#C/C(C)=C/C[C@@H]1CCCC[C@H]1O 307005201 572871452 /nfs/dbraw/zinc/87/14/52/572871452.db2.gz DJSWXBBVAAIAMX-ALQBXHKQSA-N 0 0 178.275 2.507 10 30 AFEERN CCCCN=NC[C@@H](C)CCC 307967448 572871812 /nfs/dbraw/zinc/87/18/12/572871812.db2.gz DERVMFMVSSWPCG-JTQLQIEISA-N 0 0 170.300 2.798 10 30 AFEERN CC1=Nc2c(C#N)cccc2C1(C)C 75576617 572871640 /nfs/dbraw/zinc/87/16/40/572871640.db2.gz AXSGAHJCYBPARJ-UHFFFAOYSA-N 0 0 184.242 2.942 10 30 AFEERN C[C@@H](C#N)C[C@@H](C#N)c1ccccc1 75576632 572871751 /nfs/dbraw/zinc/87/17/51/572871751.db2.gz YDSLUWPFKWLBTL-PWSUYJOCSA-N 0 0 184.242 2.844 10 30 AFEERN C=CCCCC(=O)OCC(C)(C)F 308156319 572871831 /nfs/dbraw/zinc/87/18/31/572871831.db2.gz RNWIBKJZPBUZQG-UHFFFAOYSA-N 0 0 188.242 2.634 10 30 AFEERN CC(C)[C@@]1(C#N)C=Nc2ccccc21 75576645 572871849 /nfs/dbraw/zinc/87/18/49/572871849.db2.gz AQJGRYZOSWDXRT-GFCCVEGCSA-N 0 0 184.242 2.820 10 30 AFEERN C=C[C@H](O)[C@H]1CCC[C@@H](CC)C1 307073567 572871912 /nfs/dbraw/zinc/87/19/12/572871912.db2.gz JRBBEFXOGHQINS-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C[C@H](C#N)C[C@H](C#N)c1ccccc1 75576634 572871952 /nfs/dbraw/zinc/87/19/52/572871952.db2.gz YDSLUWPFKWLBTL-CMPLNLGQSA-N 0 0 184.242 2.844 10 30 AFEERN CC(C)[C@]1(C#N)C=Nc2ccccc21 75576644 572871867 /nfs/dbraw/zinc/87/18/67/572871867.db2.gz AQJGRYZOSWDXRT-LBPRGKRZSA-N 0 0 184.242 2.820 10 30 AFEERN C[C@H](C#N)C[C@@H](C#N)c1ccccc1 75576631 572871886 /nfs/dbraw/zinc/87/18/86/572871886.db2.gz YDSLUWPFKWLBTL-JQWIXIFHSA-N 0 0 184.242 2.844 10 30 AFEERN CCC(=NN[C@H](C)CC)C(C)C 307970673 572872018 /nfs/dbraw/zinc/87/20/18/572872018.db2.gz GWUKKMKGABVKPM-SECBINFHSA-N 0 0 170.300 2.797 10 30 AFEERN C[C@@H](C#N)C[C@H](C#N)c1ccccc1 75576635 572872049 /nfs/dbraw/zinc/87/20/49/572872049.db2.gz YDSLUWPFKWLBTL-ZYHUDNBSSA-N 0 0 184.242 2.844 10 30 AFEERN C#C/C=C/[C@H](C)Nc1ccccc1 307039197 572872201 /nfs/dbraw/zinc/87/22/01/572872201.db2.gz IZJSZJDLUVOCKW-VUQUXZKVSA-N 0 0 171.243 2.676 10 30 AFEERN CC(C)(C#N)C1CC=CC1 75524961 572874158 /nfs/dbraw/zinc/87/41/58/572874158.db2.gz MSNFWXHNXMVVMU-UHFFFAOYSA-N 0 0 135.210 2.502 10 30 AFEERN C=C1c2c(O)cc(C)cc2OC1(C)C 75579747 572872599 /nfs/dbraw/zinc/87/25/99/572872599.db2.gz STKKOKSYYONHGN-UHFFFAOYSA-N 0 0 190.242 2.885 10 30 AFEERN CC#CC[C@@H](O)[C@H]1CC2CCC1CC2 307050905 572872622 /nfs/dbraw/zinc/87/26/22/572872622.db2.gz MFAMLFZXENKJHI-IFWUJCSASA-N 0 0 192.302 2.587 10 30 AFEERN C=C(C)[C@@H](O)CC1=CCCCC1 307003667 572872636 /nfs/dbraw/zinc/87/26/36/572872636.db2.gz IYELARSTAZFXDN-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN CC#C[C@@H](O)CC1CCCCCC1 307050120 572872669 /nfs/dbraw/zinc/87/26/69/572872669.db2.gz QROYXVGXRFDBHQ-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN C=C1N(C(C)(C)C)C(=O)OC1(C)C 196566792 572872799 /nfs/dbraw/zinc/87/27/99/572872799.db2.gz YUTFYZFZUQTOBS-UHFFFAOYSA-N 0 0 183.251 2.529 10 30 AFEERN Cc1noc(C)c1C1(C#N)CCCC1 75579883 572872814 /nfs/dbraw/zinc/87/28/14/572872814.db2.gz WLSOIWWOBDNEKA-UHFFFAOYSA-N 0 0 190.246 2.627 10 30 AFEERN C=CCSc1c(N)cccc1F 307084404 572872826 /nfs/dbraw/zinc/87/28/26/572872826.db2.gz LIBXHZJFVDHJCH-UHFFFAOYSA-N 0 0 183.251 2.686 10 30 AFEERN CCCCNN=C[C@H](C)CCC 307967449 572873200 /nfs/dbraw/zinc/87/32/00/572873200.db2.gz DERVMFMVSSWPCG-SNVBAGLBSA-N 0 0 170.300 2.798 10 30 AFEERN C[Si](C)(C)C#CC#C/C=C/Cl 307030161 572873213 /nfs/dbraw/zinc/87/32/13/572873213.db2.gz NFUZSNHDTIOYLE-SOFGYWHQSA-N 0 0 182.726 2.623 10 30 AFEERN CC#Cc1cc2ccccc2n1C 307037081 572873252 /nfs/dbraw/zinc/87/32/52/572873252.db2.gz ZPDCGMNQIMLGOR-UHFFFAOYSA-N 0 0 169.227 2.550 10 30 AFEERN CCCCNN=C1CCC1(C)C 307970660 572873257 /nfs/dbraw/zinc/87/32/57/572873257.db2.gz GWIRCUSUQZVDPM-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN C=C1C=C[C@@H]2[C@@H](C)[C@H]1[C@@H](O)CC2(C)C 307062335 572873259 /nfs/dbraw/zinc/87/32/59/572873259.db2.gz NSPOPAOIDWIIDL-WYUUTHIRSA-N 0 0 192.302 2.772 10 30 AFEERN C=C1C=C[C@@H]2[C@H](C)[C@H]1[C@@H](O)CC2(C)C 307062334 572873278 /nfs/dbraw/zinc/87/32/78/572873278.db2.gz NSPOPAOIDWIIDL-USZNOCQGSA-N 0 0 192.302 2.772 10 30 AFEERN CCc1ccc(C(C)=NOC)s1 307967198 572873291 /nfs/dbraw/zinc/87/32/91/572873291.db2.gz CUYAKBSNVBAILI-UHFFFAOYSA-N 0 0 183.276 2.681 10 30 AFEERN C=C1C[C@H]2C[C@@H](O)C[C@@H](C1)C2(C)C 307082206 572873333 /nfs/dbraw/zinc/87/33/33/572873333.db2.gz JQUGMMNNNZWZGL-URLYPYJESA-N 0 0 180.291 2.750 10 30 AFEERN C=CCC[C@H](C#N)CC 75520811 572873484 /nfs/dbraw/zinc/87/34/84/572873484.db2.gz WVDGPCSESBUSNK-MRVPVSSYSA-N 0 0 123.199 2.502 10 30 AFEERN C=CC[C@@H]1CC[C@H](C#N)C1 75525012 572873618 /nfs/dbraw/zinc/87/36/18/572873618.db2.gz UWONRPKEPUJMEW-BDAKNGLRSA-N 0 0 135.210 2.502 10 30 AFEERN C/C=C/[C@H](C#N)CCCC 75525795 572873640 /nfs/dbraw/zinc/87/36/40/572873640.db2.gz ADOFVDXJDRSXFI-DNQSNQRASA-N 0 0 137.226 2.892 10 30 AFEERN C=CCC[C@]1(O)CCCS[C@H]1C 307061234 572873718 /nfs/dbraw/zinc/87/37/18/572873718.db2.gz FAJQEDNFMCNTET-UWVGGRQHSA-N 0 0 186.320 2.599 10 30 AFEERN CCC(C)=C=CC(=O)C(C)(C)C 196577720 572873786 /nfs/dbraw/zinc/87/37/86/572873786.db2.gz VCONGNLJRUHBEM-VIFPVBQESA-N 0 0 166.264 2.651 10 30 AFEERN C=C1[C@@H]([C@H](O)C(C)C)[C@@H]1C(C)(C)C 307097693 572873817 /nfs/dbraw/zinc/87/38/17/572873817.db2.gz DNOGMZCKYWFIFR-GMTAPVOTSA-N 0 0 182.307 2.852 10 30 AFEERN N#C[C@H](C1CCCC1)N1CCCCC1 50272959 572873827 /nfs/dbraw/zinc/87/38/27/572873827.db2.gz FZJVMUJNRYSSFX-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN CC1=C(CC#N)CCCC1 75525071 572873891 /nfs/dbraw/zinc/87/38/91/572873891.db2.gz LYPXBGMGJASUPQ-UHFFFAOYSA-N 0 0 135.210 2.791 10 30 AFEERN C/C=C1\CCCC[C@@H]1C#N 75525032 572873926 /nfs/dbraw/zinc/87/39/26/572873926.db2.gz MFTDHSDUFUGJCM-YPNJUMGQSA-N 0 0 135.210 2.646 10 30 AFEERN C=CC[C@H]1CC[C@@H](C#N)C1 75525024 572874039 /nfs/dbraw/zinc/87/40/39/572874039.db2.gz UWONRPKEPUJMEW-DTWKUNHWSA-N 0 0 135.210 2.502 10 30 AFEERN CC/C=C/CCCC#N 75520879 572874061 /nfs/dbraw/zinc/87/40/61/572874061.db2.gz SRCCKXJHUWKHAS-ONEGZZNKSA-N 0 0 123.199 2.646 10 30 AFEERN C[C@@H](C#N)[C@@H]1CC=CCC1 75524951 572874068 /nfs/dbraw/zinc/87/40/68/572874068.db2.gz IYKDPMKQKJDSKD-DTWKUNHWSA-N 0 0 135.210 2.502 10 30 AFEERN N#CCCCC1=CCCC1 75524985 572874083 /nfs/dbraw/zinc/87/40/83/572874083.db2.gz ASWHZJKYYZETSV-UHFFFAOYSA-N 0 0 135.210 2.791 10 30 AFEERN N#CC/C=C1/CC=CCC1 75524606 572874117 /nfs/dbraw/zinc/87/41/17/572874117.db2.gz AHXSMJRABRFGCE-CLFYSBASSA-N 0 0 133.194 2.567 10 30 AFEERN C/C=C1\CCCC[C@H]1C#N 75525036 572874120 /nfs/dbraw/zinc/87/41/20/572874120.db2.gz MFTDHSDUFUGJCM-WWQRDVDESA-N 0 0 135.210 2.646 10 30 AFEERN C=C(CC)C(C)(C)C#N 75520756 572874887 /nfs/dbraw/zinc/87/48/87/572874887.db2.gz HFACJRFQQYQUDV-UHFFFAOYSA-N 0 0 123.199 2.502 10 30 AFEERN CC(C)(C#N)[C@@H]1C=CCC1 75524960 572874339 /nfs/dbraw/zinc/87/43/39/572874339.db2.gz GDAKMPIVRTUJMF-MRVPVSSYSA-N 0 0 135.210 2.502 10 30 AFEERN C=CCCC(C)(C)OC(=O)C(C)C 308161166 572874375 /nfs/dbraw/zinc/87/43/75/572874375.db2.gz VECJEJNGSDAJBT-UHFFFAOYSA-N 0 0 184.279 2.930 10 30 AFEERN N#CCCC=C1CCCC1 75524986 572874391 /nfs/dbraw/zinc/87/43/91/572874391.db2.gz RFQSHQQUVNAOSC-UHFFFAOYSA-N 0 0 135.210 2.791 10 30 AFEERN CC1=CC[C@H](CC#N)CC1 75525068 572874462 /nfs/dbraw/zinc/87/44/62/572874462.db2.gz SMHREIPGQOIMND-VIFPVBQESA-N 0 0 135.210 2.646 10 30 AFEERN CCCC/C=C/[C@H](C)C#N 75525798 572874728 /nfs/dbraw/zinc/87/47/28/572874728.db2.gz YQBBAHOBLAPNIJ-UCUJLANTSA-N 0 0 137.226 2.892 10 30 AFEERN Cc1cc(CCCCS)c(C)[nH]1 77270846 572874732 /nfs/dbraw/zinc/87/47/32/572874732.db2.gz FKGIFKWRCNIPLW-UHFFFAOYSA-N 0 0 183.320 2.884 10 30 AFEERN C=C1CCC(CC#N)CC1 75525064 572875063 /nfs/dbraw/zinc/87/50/63/572875063.db2.gz ULIFRDZCLKNTLX-UHFFFAOYSA-N 0 0 135.210 2.646 10 30 AFEERN C=CC[C@@H]1CC[C@@H](C#N)C1 75525021 572875204 /nfs/dbraw/zinc/87/52/04/572875204.db2.gz UWONRPKEPUJMEW-RKDXNWHRSA-N 0 0 135.210 2.502 10 30 AFEERN C[C@H](C#N)[C@H]1CC=CCC1 75524946 572875256 /nfs/dbraw/zinc/87/52/56/572875256.db2.gz IYKDPMKQKJDSKD-BDAKNGLRSA-N 0 0 135.210 2.502 10 30 AFEERN CCC/C=C/[C@H](C#N)CC 75525802 572875284 /nfs/dbraw/zinc/87/52/84/572875284.db2.gz ODEUOSSRYSMXHL-XCODYQFDSA-N 0 0 137.226 2.892 10 30 AFEERN C=C(C(C)C)C(C)(C)C#N 75525847 572875317 /nfs/dbraw/zinc/87/53/17/572875317.db2.gz QYFRDVJUCOLVSO-UHFFFAOYSA-N 0 0 137.226 2.748 10 30 AFEERN C[C@@H](C#N)[C@H]1CC=CCC1 75524943 572875378 /nfs/dbraw/zinc/87/53/78/572875378.db2.gz IYKDPMKQKJDSKD-IUCAKERBSA-N 0 0 135.210 2.502 10 30 AFEERN CC1=CCC[C@@](C)(C#N)C1 75525077 572875417 /nfs/dbraw/zinc/87/54/17/572875417.db2.gz DMUCEMQPBDVNMQ-SECBINFHSA-N 0 0 135.210 2.646 10 30 AFEERN N#C[C@@H](C1CCCC1)N1CCCCC1 50272958 572875382 /nfs/dbraw/zinc/87/53/82/572875382.db2.gz FZJVMUJNRYSSFX-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN C[C@H](C#N)[C@@H]1C=CCCC1 75524940 572875468 /nfs/dbraw/zinc/87/54/68/572875468.db2.gz GZDTXOCUVSSDAO-RKDXNWHRSA-N 0 0 135.210 2.502 10 30 AFEERN C/C=C/[C@@H](C#N)CCCC 75525791 572875961 /nfs/dbraw/zinc/87/59/61/572875961.db2.gz ADOFVDXJDRSXFI-OTQAPUNGSA-N 0 0 137.226 2.892 10 30 AFEERN C/C=C(\C)C(C)(C)C#N 75520747 572875607 /nfs/dbraw/zinc/87/56/07/572875607.db2.gz ABKUMKATMWATTD-FNORWQNLSA-N 0 0 123.199 2.502 10 30 AFEERN C[C@@H](C#N)[C@H]1C=CCCC1 75524933 572875649 /nfs/dbraw/zinc/87/56/49/572875649.db2.gz GZDTXOCUVSSDAO-IUCAKERBSA-N 0 0 135.210 2.502 10 30 AFEERN CC/C=C/[C@H](C#N)CCC 75525823 572875678 /nfs/dbraw/zinc/87/56/78/572875678.db2.gz JBRDPXJPUBVYSL-VPIOIWJLSA-N 0 0 137.226 2.892 10 30 AFEERN CC1=CCC[C@](C)(C#N)C1 75525079 572875682 /nfs/dbraw/zinc/87/56/82/572875682.db2.gz DMUCEMQPBDVNMQ-VIFPVBQESA-N 0 0 135.210 2.646 10 30 AFEERN CC(C)=CC(C)(C)C#N 75520798 572875719 /nfs/dbraw/zinc/87/57/19/572875719.db2.gz ITPGOZRQBMGLIT-UHFFFAOYSA-N 0 0 123.199 2.502 10 30 AFEERN CCCC/C=C/[C@@H](C)C#N 75525796 572875841 /nfs/dbraw/zinc/87/58/41/572875841.db2.gz YQBBAHOBLAPNIJ-XCODYQFDSA-N 0 0 137.226 2.892 10 30 AFEERN C[C@@H](C#N)[C@@H]1C=CCCC1 75524936 572875878 /nfs/dbraw/zinc/87/58/78/572875878.db2.gz GZDTXOCUVSSDAO-DTWKUNHWSA-N 0 0 135.210 2.502 10 30 AFEERN CCC/C=C/[C@@H](C#N)CC 75525812 572875945 /nfs/dbraw/zinc/87/59/45/572875945.db2.gz ODEUOSSRYSMXHL-UCUJLANTSA-N 0 0 137.226 2.892 10 30 AFEERN CC(C)(C#N)[C@H]1C=CCC1 75524958 572876040 /nfs/dbraw/zinc/87/60/40/572876040.db2.gz GDAKMPIVRTUJMF-QMMMGPOBSA-N 0 0 135.210 2.502 10 30 AFEERN CC/C=C/[C@@H](C#N)CCC 75525822 572876079 /nfs/dbraw/zinc/87/60/79/572876079.db2.gz JBRDPXJPUBVYSL-IWGCBNPKSA-N 0 0 137.226 2.892 10 30 AFEERN C[C@H](C#N)[C@@H]1CC=CCC1 75524953 572876112 /nfs/dbraw/zinc/87/61/12/572876112.db2.gz IYKDPMKQKJDSKD-RKDXNWHRSA-N 0 0 135.210 2.502 10 30 AFEERN C=CCC[C@@H](C#N)CC 75520807 572876096 /nfs/dbraw/zinc/87/60/96/572876096.db2.gz WVDGPCSESBUSNK-QMMMGPOBSA-N 0 0 123.199 2.502 10 30 AFEERN C=CC[C@H]1CC[C@H](C#N)C1 75525016 572876150 /nfs/dbraw/zinc/87/61/50/572876150.db2.gz UWONRPKEPUJMEW-IUCAKERBSA-N 0 0 135.210 2.502 10 30 AFEERN C[C@H](C#N)[C@H]1C=CCCC1 75524934 572876226 /nfs/dbraw/zinc/87/62/26/572876226.db2.gz GZDTXOCUVSSDAO-BDAKNGLRSA-N 0 0 135.210 2.502 10 30 AFEERN CC1=CC[C@](C)(C#N)CC1 75525086 572876253 /nfs/dbraw/zinc/87/62/53/572876253.db2.gz IJIXBVICQUGQEP-VIFPVBQESA-N 0 0 135.210 2.646 10 30 AFEERN CC1=CC[C@@](C)(C#N)CC1 75525084 572876280 /nfs/dbraw/zinc/87/62/80/572876280.db2.gz IJIXBVICQUGQEP-SECBINFHSA-N 0 0 135.210 2.646 10 30 AFEERN CC1=CC[C@@H](CC#N)CC1 75525070 572876293 /nfs/dbraw/zinc/87/62/93/572876293.db2.gz SMHREIPGQOIMND-SECBINFHSA-N 0 0 135.210 2.646 10 30 AFEERN N#CCC1=C[C@@H]2CCC[C@@H]2C1 75538025 572876673 /nfs/dbraw/zinc/87/66/73/572876673.db2.gz YYJYCKWHJVFYSP-VHSXEESVSA-N 0 0 147.221 2.646 10 30 AFEERN N#CCC1=C[C@@H]2CCC[C@H]2C1 75538029 572876687 /nfs/dbraw/zinc/87/66/87/572876687.db2.gz YYJYCKWHJVFYSP-UWVGGRQHSA-N 0 0 147.221 2.646 10 30 AFEERN CCCCC#C[C@](C)(O)/C=C/Cl 307054773 572876790 /nfs/dbraw/zinc/87/67/90/572876790.db2.gz RRVWAQYQNBISPY-DDXVTDLHSA-N 0 0 186.682 2.684 10 30 AFEERN N#CCC1C[C@H]2CCC[C@@H]2C1 75538640 572876947 /nfs/dbraw/zinc/87/69/47/572876947.db2.gz JPAFMBOPYYXADO-NXEZZACHSA-N 0 0 149.237 2.726 10 30 AFEERN C=C(C)[C@H]1CC[C@@](C)(C#N)C1 75538574 572876983 /nfs/dbraw/zinc/87/69/83/572876983.db2.gz GIDVCFITBKGCKW-VHSXEESVSA-N 0 0 149.237 2.892 10 30 AFEERN CC(C)CSC[C@@H](C#N)CCC#N 308158073 572876991 /nfs/dbraw/zinc/87/69/91/572876991.db2.gz SRUPCXBZZNQHCK-SNVBAGLBSA-N 0 0 196.319 2.819 10 30 AFEERN C=C([C@@H](O)CCC(C)C)C(F)(F)F 308158130 572877028 /nfs/dbraw/zinc/87/70/28/572877028.db2.gz VFYRFEZJGXEUOW-QMMMGPOBSA-N 0 0 196.212 2.902 10 30 AFEERN CC/C=C\[C@H]1C=CC[C@@H]1C#N 75538064 572877036 /nfs/dbraw/zinc/87/70/36/572877036.db2.gz KIEKXIIBZYEOPZ-NFXDQBBPSA-N 0 0 147.221 2.668 10 30 AFEERN C[C@H]1C=CCC[C@H]1CCC#N 75538595 572877072 /nfs/dbraw/zinc/87/70/72/572877072.db2.gz PXFNEEGWMNAOEP-UWVGGRQHSA-N 0 0 149.237 2.892 10 30 AFEERN CC1=C[C@@H](CC#N)CC1(C)C 75538606 572877089 /nfs/dbraw/zinc/87/70/89/572877089.db2.gz YEBBFGZDYHJJRC-SECBINFHSA-N 0 0 149.237 2.892 10 30 AFEERN CC/C=C\[C@@H](CC)[C@H](C)C=O 75541910 572877159 /nfs/dbraw/zinc/87/71/59/572877159.db2.gz ARDUXRFBHJCUIF-ITMFEAPISA-N 0 0 154.253 2.814 10 30 AFEERN CC1=CC[C@H]([C@@H](C)C#N)CC1 75538628 572877186 /nfs/dbraw/zinc/87/71/86/572877186.db2.gz YNMQLBZOUHCTCR-UWVGGRQHSA-N 0 0 149.237 2.892 10 30 AFEERN C=C(CC)/C(=C/C)CCC=O 75539778 572877208 /nfs/dbraw/zinc/87/72/08/572877208.db2.gz MXRKXASNYMNIDB-BJMVGYQFSA-N 0 0 152.237 2.878 10 30 AFEERN CC(=O)c1cccc2cccc(C#N)c12 75597826 572877220 /nfs/dbraw/zinc/87/72/20/572877220.db2.gz YAAHTEJHSSPBPQ-UHFFFAOYSA-N 0 0 195.221 2.914 10 30 AFEERN CC(C)CSC[C@H](C#N)CCC#N 308158071 572877227 /nfs/dbraw/zinc/87/72/27/572877227.db2.gz SRUPCXBZZNQHCK-JTQLQIEISA-N 0 0 196.319 2.819 10 30 AFEERN O=C(C1=CCCCC1)c1cccnc1 50324806 572877258 /nfs/dbraw/zinc/87/72/58/572877258.db2.gz LPNKYQFSJKZMRE-UHFFFAOYSA-N 0 0 187.242 2.765 10 30 AFEERN O=C(C1=CCCCC1)c1ccncc1 50324801 572877316 /nfs/dbraw/zinc/87/73/16/572877316.db2.gz RWCVBLGGISLRPJ-UHFFFAOYSA-N 0 0 187.242 2.765 10 30 AFEERN C=C(C)[C@H]1CC[C@](C)(C#N)C1 75538583 572877372 /nfs/dbraw/zinc/87/73/72/572877372.db2.gz GIDVCFITBKGCKW-UWVGGRQHSA-N 0 0 149.237 2.892 10 30 AFEERN N#CCCC1C2CCC1CC2 75538517 572877387 /nfs/dbraw/zinc/87/73/87/572877387.db2.gz DCEFHBFFHJCNFR-UHFFFAOYSA-N 0 0 149.237 2.726 10 30 AFEERN C=C(C)c1ccc(C)c(N)c1 75537977 572877444 /nfs/dbraw/zinc/87/74/44/572877444.db2.gz SFMMYUYIWFHMSW-UHFFFAOYSA-N 0 0 147.221 2.610 10 30 AFEERN CC1(C)C=CC[C@@H](CC#N)C1 75538625 572877457 /nfs/dbraw/zinc/87/74/57/572877457.db2.gz ZAABUNFIMUPVFG-VIFPVBQESA-N 0 0 149.237 2.892 10 30 AFEERN O=C(C1=CCCCCC1)[C@H]1CCCO1 50325359 572877480 /nfs/dbraw/zinc/87/74/80/572877480.db2.gz QKIJKFGSJZWGTC-LLVKDONJSA-N 0 0 194.274 2.625 10 30 AFEERN CC/C=C\[C@H]1C=CC[C@H]1C#N 75538067 572877506 /nfs/dbraw/zinc/87/75/06/572877506.db2.gz KIEKXIIBZYEOPZ-XMWDXMLXSA-N 0 0 147.221 2.668 10 30 AFEERN CC(C)(C#N)[C@@H]1CC=CCC1 75538536 572877599 /nfs/dbraw/zinc/87/75/99/572877599.db2.gz XPTVQTLXVSGZAB-SECBINFHSA-N 0 0 149.237 2.892 10 30 AFEERN CC#C[C@@](O)(CCC)[C@@H]1CC1(C)C 307000760 572877618 /nfs/dbraw/zinc/87/76/18/572877618.db2.gz BTONUUVRIXCXGT-PWSUYJOCSA-N 0 0 180.291 2.587 10 30 AFEERN C=CCS[C@@H]1CCCCC[C@@H]1O 307056255 572877671 /nfs/dbraw/zinc/87/76/71/572877671.db2.gz BXSPCCCNPUGRQX-VHSXEESVSA-N 0 0 186.320 2.599 10 30 AFEERN C=C(C)[C@@H]1CC[C@](C)(C#N)C1 75538582 572877693 /nfs/dbraw/zinc/87/76/93/572877693.db2.gz GIDVCFITBKGCKW-ZJUUUORDSA-N 0 0 149.237 2.892 10 30 AFEERN C=C(C)[C@@H]1CC[C@@](C)(C#N)C1 75538572 572878104 /nfs/dbraw/zinc/87/81/04/572878104.db2.gz GIDVCFITBKGCKW-NXEZZACHSA-N 0 0 149.237 2.892 10 30 AFEERN CC(=O)OC1(CCC#N)CCCCC1 75598080 572877824 /nfs/dbraw/zinc/87/78/24/572877824.db2.gz QXKCPVMXPZNADS-UHFFFAOYSA-N 0 0 195.262 2.556 10 30 AFEERN CC1=CC[C@@H](C(C)(C)C#N)C1 75538548 572877845 /nfs/dbraw/zinc/87/78/45/572877845.db2.gz MPNVKBSMGUXLCB-SECBINFHSA-N 0 0 149.237 2.892 10 30 AFEERN Cc1cc(C(C)C)c(C#N)o1 75538446 572877882 /nfs/dbraw/zinc/87/78/82/572877882.db2.gz DHAWYNWPDOSMSR-UHFFFAOYSA-N 0 0 149.193 2.583 10 30 AFEERN CC1=C[C@H](CC#N)CC1(C)C 75538603 572877919 /nfs/dbraw/zinc/87/79/19/572877919.db2.gz YEBBFGZDYHJJRC-VIFPVBQESA-N 0 0 149.237 2.892 10 30 AFEERN CC1=CC[C@H](C(C)(C)C#N)C1 75538544 572877955 /nfs/dbraw/zinc/87/79/55/572877955.db2.gz MPNVKBSMGUXLCB-VIFPVBQESA-N 0 0 149.237 2.892 10 30 AFEERN CC/C=C\[C@@H]1C=CC[C@H]1C#N 75538065 572878025 /nfs/dbraw/zinc/87/80/25/572878025.db2.gz KIEKXIIBZYEOPZ-OSCQXZJKSA-N 0 0 147.221 2.668 10 30 AFEERN Nc1cc2c3c(cccc3c1)C(=O)C=C2 75597799 572878048 /nfs/dbraw/zinc/87/80/48/572878048.db2.gz NVKVYYFQVYMEFG-UHFFFAOYSA-N 0 0 195.221 2.632 10 30 AFEERN CC(C)[C@@]1(C#N)C=CCCC1 75538614 572878063 /nfs/dbraw/zinc/87/80/63/572878063.db2.gz AOOJFSYUUSVUME-JTQLQIEISA-N 0 0 149.237 2.892 10 30 AFEERN N#CCC1C[C@@H]2CCC[C@H]2C1 75538638 572878065 /nfs/dbraw/zinc/87/80/65/572878065.db2.gz JPAFMBOPYYXADO-UWVGGRQHSA-N 0 0 149.237 2.726 10 30 AFEERN O=C(C1=CCCCCC1)[C@@H]1CCCO1 50325358 572878067 /nfs/dbraw/zinc/87/80/67/572878067.db2.gz QKIJKFGSJZWGTC-NSHDSACASA-N 0 0 194.274 2.625 10 30 AFEERN C=C1CC[C@@H](C(C)(C)C#N)C1 75538549 572878076 /nfs/dbraw/zinc/87/80/76/572878076.db2.gz AVTLWWYRAHOJDN-SECBINFHSA-N 0 0 149.237 2.892 10 30 AFEERN C=C([C@H](O)CCC(C)C)C(F)(F)F 308158129 572878095 /nfs/dbraw/zinc/87/80/95/572878095.db2.gz VFYRFEZJGXEUOW-MRVPVSSYSA-N 0 0 196.212 2.902 10 30 AFEERN Nc1ccc2c3c(cccc13)C=CC2=O 75597802 572878140 /nfs/dbraw/zinc/87/81/40/572878140.db2.gz WHIPHFULVONUSV-UHFFFAOYSA-N 0 0 195.221 2.632 10 30 AFEERN CC1(C)C=CC[C@H](CC#N)C1 75538626 572878153 /nfs/dbraw/zinc/87/81/53/572878153.db2.gz ZAABUNFIMUPVFG-SECBINFHSA-N 0 0 149.237 2.892 10 30 AFEERN CC1=CC[C@@H]([C@H](C)C#N)CC1 75538635 572878181 /nfs/dbraw/zinc/87/81/81/572878181.db2.gz YNMQLBZOUHCTCR-NXEZZACHSA-N 0 0 149.237 2.892 10 30 AFEERN C[C@H](C=O)C1(C)CCCCC1 75541937 572878218 /nfs/dbraw/zinc/87/82/18/572878218.db2.gz DUQDPYSJNCWWKM-SECBINFHSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@H](C)/C=C(/C)CCC=O 75541819 572878276 /nfs/dbraw/zinc/87/82/76/572878276.db2.gz QSBNJQJOEDXJSF-CUQRQBARSA-N 0 0 154.253 2.958 10 30 AFEERN C[C@@H]1C=CCC[C@H]1CCC#N 75538594 572878312 /nfs/dbraw/zinc/87/83/12/572878312.db2.gz PXFNEEGWMNAOEP-ZJUUUORDSA-N 0 0 149.237 2.892 10 30 AFEERN C=CC[C@H](C=O)C(C)(C)C=C 75539667 572878393 /nfs/dbraw/zinc/87/83/93/572878393.db2.gz LTJWSXWUHGLXOV-SECBINFHSA-N 0 0 152.237 2.590 10 30 AFEERN CC[C@@H](C)/C=C(/C)CCC=O 75541816 572878462 /nfs/dbraw/zinc/87/84/62/572878462.db2.gz QSBNJQJOEDXJSF-URLRMUCDSA-N 0 0 154.253 2.958 10 30 AFEERN C[C@@H](C#N)c1c(C#N)[nH]c2ccccc12 75597967 572878867 /nfs/dbraw/zinc/87/88/67/572878867.db2.gz QPVGZWRQXJXKNZ-QMMMGPOBSA-N 0 0 195.225 2.667 10 30 AFEERN CC1=CC[C@@H]([C@@H](C)C#N)CC1 75538633 572878546 /nfs/dbraw/zinc/87/85/46/572878546.db2.gz YNMQLBZOUHCTCR-VHSXEESVSA-N 0 0 149.237 2.892 10 30 AFEERN CC(=NO)c1cc(C)c(C)c(C)c1 308157399 572878559 /nfs/dbraw/zinc/87/85/59/572878559.db2.gz SDNODCCKMQXJCG-UHFFFAOYSA-N 0 0 177.247 2.810 10 30 AFEERN C=C[C@@H](C)C(C=O)(CC)CC 75541943 572878681 /nfs/dbraw/zinc/87/86/81/572878681.db2.gz JRCNJOZLMJAWCV-SECBINFHSA-N 0 0 154.253 2.814 10 30 AFEERN CC/C=C\[C@@H]1C=CC[C@@H]1C#N 75538062 572878686 /nfs/dbraw/zinc/87/86/86/572878686.db2.gz KIEKXIIBZYEOPZ-QBNQYXCASA-N 0 0 147.221 2.668 10 30 AFEERN CC1=C[C@@H](C(C)(C)C#N)CC1 75538602 572878739 /nfs/dbraw/zinc/87/87/39/572878739.db2.gz RAVOQAUACDHLQF-VIFPVBQESA-N 0 0 149.237 2.892 10 30 AFEERN C[C@@H]1C=CCC[C@@H]1CCC#N 75538590 572878885 /nfs/dbraw/zinc/87/88/85/572878885.db2.gz PXFNEEGWMNAOEP-NXEZZACHSA-N 0 0 149.237 2.892 10 30 AFEERN CCC[C@@H](C=O)CC=C(C)C 75541802 572878753 /nfs/dbraw/zinc/87/87/53/572878753.db2.gz SGNZUUBAAFVFFT-SNVBAGLBSA-N 0 0 154.253 2.958 10 30 AFEERN C=CCS[C@H]1CCCCC[C@@H]1O 307056254 572878775 /nfs/dbraw/zinc/87/87/75/572878775.db2.gz BXSPCCCNPUGRQX-UWVGGRQHSA-N 0 0 186.320 2.599 10 30 AFEERN N#CCC1=C[C@H]2CCC[C@H]2C1 75538034 572878820 /nfs/dbraw/zinc/87/88/20/572878820.db2.gz YYJYCKWHJVFYSP-ZJUUUORDSA-N 0 0 147.221 2.646 10 30 AFEERN C=C1CC[C@H](C(C)(C)C#N)C1 75538551 572879092 /nfs/dbraw/zinc/87/90/92/572879092.db2.gz AVTLWWYRAHOJDN-VIFPVBQESA-N 0 0 149.237 2.892 10 30 AFEERN CC/C=C\[C@H](CC)[C@@H](C)C=O 75541907 572879102 /nfs/dbraw/zinc/87/91/02/572879102.db2.gz ARDUXRFBHJCUIF-QTPDZXDFSA-N 0 0 154.253 2.814 10 30 AFEERN C=CC[C@@H](C=O)C(C)(C)C=C 75539663 572879105 /nfs/dbraw/zinc/87/91/05/572879105.db2.gz LTJWSXWUHGLXOV-VIFPVBQESA-N 0 0 152.237 2.590 10 30 AFEERN C[C@H]1C=CCC[C@@H]1CCC#N 75538592 572879109 /nfs/dbraw/zinc/87/91/09/572879109.db2.gz PXFNEEGWMNAOEP-VHSXEESVSA-N 0 0 149.237 2.892 10 30 AFEERN C[C@@H](C=O)C1(C)CCCCC1 75541928 572879117 /nfs/dbraw/zinc/87/91/17/572879117.db2.gz DUQDPYSJNCWWKM-VIFPVBQESA-N 0 0 154.253 2.792 10 30 AFEERN CC(C)(C)/N=N/CCCC#N 75540396 572879153 /nfs/dbraw/zinc/87/91/53/572879153.db2.gz KLJCXMKTJMCTBU-ZHACJKMWSA-N 0 0 153.229 2.541 10 30 AFEERN CC1=CC[C@H]([C@H](C)C#N)CC1 75538634 572879158 /nfs/dbraw/zinc/87/91/58/572879158.db2.gz YNMQLBZOUHCTCR-ZJUUUORDSA-N 0 0 149.237 2.892 10 30 AFEERN N#CCC1=C[C@H]2CCC[C@@H]2C1 75538030 572879162 /nfs/dbraw/zinc/87/91/62/572879162.db2.gz YYJYCKWHJVFYSP-NXEZZACHSA-N 0 0 147.221 2.646 10 30 AFEERN C/C=C/c1ccccc1C#N 75529087 572879223 /nfs/dbraw/zinc/87/92/23/572879223.db2.gz IXEDEVMEQKDBMN-GORDUTHDSA-N 0 0 143.189 2.591 10 30 AFEERN CC(=O)O[C@](C)(CCC#N)C(C)(C)C 75600029 572879635 /nfs/dbraw/zinc/87/96/35/572879635.db2.gz CPVGYSVVQVVQRY-LLVKDONJSA-N 0 0 197.278 2.658 10 30 AFEERN N#C[C@@H]1c2ccccc2C=C[C@H]1CC=O 75599886 572879790 /nfs/dbraw/zinc/87/97/90/572879790.db2.gz YMFKSTQDJXLKMN-AAEUAGOBSA-N 0 0 197.237 2.526 10 30 AFEERN CCCCSc1oc(C)nc1C#N 75599456 572879742 /nfs/dbraw/zinc/87/97/42/572879742.db2.gz KSFIVTVWGFVYHN-UHFFFAOYSA-N 0 0 196.275 2.747 10 30 AFEERN N#CC[C@H](c1ccccc1)n1cccc1 75599408 572879751 /nfs/dbraw/zinc/87/97/51/572879751.db2.gz HIFATRPDQHNERF-CYBMUJFWSA-N 0 0 196.253 2.991 10 30 AFEERN N#C[C@H]1c2ccccc2C=C[C@@H]1CC=O 75599888 572879778 /nfs/dbraw/zinc/87/97/78/572879778.db2.gz YMFKSTQDJXLKMN-DGCLKSJQSA-N 0 0 197.237 2.526 10 30 AFEERN C#CCON=C(CC)CCCC 307971196 572879988 /nfs/dbraw/zinc/87/99/88/572879988.db2.gz HFKZYXCRDPHEKX-UHFFFAOYSA-N 0 0 167.252 2.592 10 30 AFEERN C/C=C(\CC)C(=O)c1ccc[nH]1 307971041 572880031 /nfs/dbraw/zinc/88/00/31/572880031.db2.gz XSMRXRILFRRXQB-FPYGCLRLSA-N 0 0 163.220 2.554 10 30 AFEERN CCCCC(=O)C1=CCCC1 50325029 572880190 /nfs/dbraw/zinc/88/01/90/572880190.db2.gz QSZTXYZJKJZSOQ-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CC(C)(CCC=O)[C@@H]1CCC[C@@H]1C=O 75599480 572880322 /nfs/dbraw/zinc/88/03/22/572880322.db2.gz IWPFXSYNNOZDBU-GHMZBOCLSA-N 0 0 196.290 2.607 10 30 AFEERN CC(C)(C#N)CSCC(C)(C)C#N 75599536 572880333 /nfs/dbraw/zinc/88/03/33/572880333.db2.gz NKBYVWZONDKPJP-UHFFFAOYSA-N 0 0 196.319 2.819 10 30 AFEERN CC(C)(CCC=O)[C@H]1CCC[C@H]1C=O 75599486 572880357 /nfs/dbraw/zinc/88/03/57/572880357.db2.gz IWPFXSYNNOZDBU-QWRGUYRKSA-N 0 0 196.290 2.607 10 30 AFEERN Cc1ccc2c(N)c(C#N)c(C)cc2c1 75599376 572880632 /nfs/dbraw/zinc/88/06/32/572880632.db2.gz GEJFKRCVMDOQHD-UHFFFAOYSA-N 0 0 196.253 2.911 10 30 AFEERN Cc1c2n(c3ccccc13)CC[C@H]2C#N 75599397 572880634 /nfs/dbraw/zinc/88/06/34/572880634.db2.gz KNMBDYVVOMGFNI-JTQLQIEISA-N 0 0 196.253 2.961 10 30 AFEERN CC(=O)O[C@@](C)(CCC#N)C(C)(C)C 75600027 572880661 /nfs/dbraw/zinc/88/06/61/572880661.db2.gz CPVGYSVVQVVQRY-NSHDSACASA-N 0 0 197.278 2.658 10 30 AFEERN CC(C)c1nc2ccccc2nc1C#N 75599965 572880707 /nfs/dbraw/zinc/88/07/07/572880707.db2.gz XUWVSGKMRWQEBN-UHFFFAOYSA-N 0 0 197.241 2.625 10 30 AFEERN N#CC[C@@H](c1ccccc1)n1cccc1 75599410 572880785 /nfs/dbraw/zinc/88/07/85/572880785.db2.gz HIFATRPDQHNERF-ZDUSSCGKSA-N 0 0 196.253 2.991 10 30 AFEERN COc1ccc([C@@](C)(Cl)C#N)cc1 75598561 572880792 /nfs/dbraw/zinc/88/07/92/572880792.db2.gz JYBQBMMSWUTQAV-JTQLQIEISA-N 0 0 195.649 2.673 10 30 AFEERN N#C[C@H]1c2ccccc2C=C[C@H]1CC=O 75599890 572880799 /nfs/dbraw/zinc/88/07/99/572880799.db2.gz YMFKSTQDJXLKMN-WCQYABFASA-N 0 0 197.237 2.526 10 30 AFEERN COc1ccc([C@](C)(Cl)C#N)cc1 75598558 572880875 /nfs/dbraw/zinc/88/08/75/572880875.db2.gz JYBQBMMSWUTQAV-SNVBAGLBSA-N 0 0 195.649 2.673 10 30 AFEERN N#CC[C@@]1(C#N)CCc2ccccc2C1 75599393 572880889 /nfs/dbraw/zinc/88/08/89/572880889.db2.gz UTLWMQLZNZEXNT-ZDUSSCGKSA-N 0 0 196.253 2.599 10 30 AFEERN CC(C)(CCC=O)[C@H]1CCC[C@@H]1C=O 75599482 572880933 /nfs/dbraw/zinc/88/09/33/572880933.db2.gz IWPFXSYNNOZDBU-MNOVXSKESA-N 0 0 196.290 2.607 10 30 AFEERN CC(C)(CCC=O)[C@@H]1CCC[C@H]1C=O 75599484 572880996 /nfs/dbraw/zinc/88/09/96/572880996.db2.gz IWPFXSYNNOZDBU-WDEREUQCSA-N 0 0 196.290 2.607 10 30 AFEERN COCc1cc(C#N)cc2ccccc12 75599902 572881067 /nfs/dbraw/zinc/88/10/67/572881067.db2.gz IUDXWPCUQXRBKR-UHFFFAOYSA-N 0 0 197.237 2.858 10 30 AFEERN CC(CC1CC1)=NNC(C)(C)C 307972398 572881272 /nfs/dbraw/zinc/88/12/72/572881272.db2.gz YYJBRFDEEDOQEG-UHFFFAOYSA-N 0 0 168.284 2.551 10 30 AFEERN CCc1cc2ccccc2c(N)c1C#N 75599391 572881289 /nfs/dbraw/zinc/88/12/89/572881289.db2.gz YPFOWAAEPMJCAZ-UHFFFAOYSA-N 0 0 196.253 2.856 10 30 AFEERN Cc1c(C#N)c(N)c2ccccc2c1C 75599375 572881399 /nfs/dbraw/zinc/88/13/99/572881399.db2.gz CONIVSMSLWEXBU-UHFFFAOYSA-N 0 0 196.253 2.911 10 30 AFEERN N#CC/C=C1\CCc2ccccc2C1=O 75599880 572881420 /nfs/dbraw/zinc/88/14/20/572881420.db2.gz SOLHBEVPLYGZLK-VZUCSPMQSA-N 0 0 197.237 2.656 10 30 AFEERN Cc1cc2cccc(C)c2c(N)c1C#N 75599377 572881500 /nfs/dbraw/zinc/88/15/00/572881500.db2.gz IRVCBCCAOCCLIX-UHFFFAOYSA-N 0 0 196.253 2.911 10 30 AFEERN CNN=C(CC(C)C)CC(C)C 308159123 572881502 /nfs/dbraw/zinc/88/15/02/572881502.db2.gz QIBHWTFFBGCJTJ-UHFFFAOYSA-N 0 0 170.300 2.654 10 30 AFEERN CC[C@H](C)ON=C1C=C(C)CC1 307967812 572881572 /nfs/dbraw/zinc/88/15/72/572881572.db2.gz DMIUQESOBZSWPF-VIFPVBQESA-N 0 0 167.252 2.898 10 30 AFEERN O=CCc1ccc2c3c(cccc13)CC2 75599342 572881621 /nfs/dbraw/zinc/88/16/21/572881621.db2.gz WGKDDIMCZVKCFR-UHFFFAOYSA-N 0 0 196.249 2.680 10 30 AFEERN CCCCCCC=NNCCC 307971774 572881717 /nfs/dbraw/zinc/88/17/17/572881717.db2.gz HSHOOUAZTOCBBY-UHFFFAOYSA-N 0 0 170.300 2.942 10 30 AFEERN Cc1c2n(c3ccccc13)CC[C@@H]2C#N 75599398 572881788 /nfs/dbraw/zinc/88/17/88/572881788.db2.gz KNMBDYVVOMGFNI-SNVBAGLBSA-N 0 0 196.253 2.961 10 30 AFEERN N#C[C@@H]1c2ccccc2C=C[C@@H]1CC=O 75599883 572882017 /nfs/dbraw/zinc/88/20/17/572882017.db2.gz YMFKSTQDJXLKMN-YPMHNXCESA-N 0 0 197.237 2.526 10 30 AFEERN N#CC[C@]1(C#N)CCc2ccccc2C1 75599394 572882027 /nfs/dbraw/zinc/88/20/27/572882027.db2.gz UTLWMQLZNZEXNT-CYBMUJFWSA-N 0 0 196.253 2.599 10 30 AFEERN CCCC(CCC)=NN(C)CC 307971730 572882063 /nfs/dbraw/zinc/88/20/63/572882063.db2.gz HQKCZNVQOZNPTQ-UHFFFAOYSA-N 0 0 170.300 2.894 10 30 AFEERN CC(C)c1nnc(C#N)c2ccccc12 75599963 572882066 /nfs/dbraw/zinc/88/20/66/572882066.db2.gz AZOJUIORZJZJJT-UHFFFAOYSA-N 0 0 197.241 2.625 10 30 AFEERN C=C1CCC[C@]2(C)C[C@@H](O)CC[C@H]12 307078446 572882169 /nfs/dbraw/zinc/88/21/69/572882169.db2.gz GUUPJPXMIGZKFQ-QJPTWQEYSA-N 0 0 180.291 2.894 10 30 AFEERN CC[C@@H](C)NN=CCC(C)(C)C 307972057 572882175 /nfs/dbraw/zinc/88/21/75/572882175.db2.gz HVLNLHZUOLCQAA-SECBINFHSA-N 0 0 170.300 2.797 10 30 AFEERN C#CC[C@@H](C)Nc1ncc(CC)s1 307093525 572882234 /nfs/dbraw/zinc/88/22/34/572882234.db2.gz NZSBGJRMZUVVOE-MRVPVSSYSA-N 0 0 194.303 2.529 10 30 AFEERN CC#C[C@](O)(CCC)[C@@H]1CC1(C)C 307000762 572882287 /nfs/dbraw/zinc/88/22/87/572882287.db2.gz BTONUUVRIXCXGT-ZYHUDNBSSA-N 0 0 180.291 2.587 10 30 AFEERN C=CCC(=O)Nc1ccccc1Cl 196575444 572884167 /nfs/dbraw/zinc/88/41/67/572884167.db2.gz UVDWTPUPXFILPJ-UHFFFAOYSA-N 0 0 195.649 2.855 10 30 AFEERN CCCCNN=CC(C)(C)CC 307971782 572882509 /nfs/dbraw/zinc/88/25/09/572882509.db2.gz HSSJKWATYJSNIO-UHFFFAOYSA-N 0 0 170.300 2.798 10 30 AFEERN CC[C@H](C)NN=CCC(C)(C)C 307972058 572882566 /nfs/dbraw/zinc/88/25/66/572882566.db2.gz HVLNLHZUOLCQAA-VIFPVBQESA-N 0 0 170.300 2.797 10 30 AFEERN CC(C)[C@H]1Nc2ccccc2N=C1C#N 75601362 572882632 /nfs/dbraw/zinc/88/26/32/572882632.db2.gz MAVBUWGYAMYFDH-GFCCVEGCSA-N 0 0 199.257 2.733 10 30 AFEERN CC[C@@H]1C[C@@H]1[C@H](O)CC#CC(C)(C)C 307041525 572882638 /nfs/dbraw/zinc/88/26/38/572882638.db2.gz KZQNBPZLNGRWPG-GRYCIOLGSA-N 0 0 194.318 2.833 10 30 AFEERN C=C[C@H](O)[C@@H]1CCCC[C@H]1CC 307063449 572882685 /nfs/dbraw/zinc/88/26/85/572882685.db2.gz OLZZRMIHZJSZTR-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN C=CCCc1c(N)ccc2ncccc12 75600779 572882736 /nfs/dbraw/zinc/88/27/36/572882736.db2.gz JZQRITGULBOGSZ-UHFFFAOYSA-N 0 0 198.269 2.936 10 30 AFEERN CCCCNN=C(CC)C1CC1 307967718 572882856 /nfs/dbraw/zinc/88/28/56/572882856.db2.gz DIIJTBNDLGIGHK-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN CC[C@@H]1N=C(c2ccccc2)C[C@@H]1C#N 75600825 572883106 /nfs/dbraw/zinc/88/31/06/572883106.db2.gz SEYJKLVZHLHACO-NEPJUHHUSA-N 0 0 198.269 2.798 10 30 AFEERN CC[C@@H](C)ON=C1C=C(C)CC1 307967810 572883140 /nfs/dbraw/zinc/88/31/40/572883140.db2.gz DMIUQESOBZSWPF-SECBINFHSA-N 0 0 167.252 2.898 10 30 AFEERN N#CCCc1ncc(-c2ccccc2)o1 75600498 572883188 /nfs/dbraw/zinc/88/31/88/572883188.db2.gz WFNICXLCAKCYHZ-UHFFFAOYSA-N 0 0 198.225 2.798 10 30 AFEERN CC(C)[C@@H]1Nc2ccccc2N=C1C#N 75601363 572883230 /nfs/dbraw/zinc/88/32/30/572883230.db2.gz MAVBUWGYAMYFDH-LBPRGKRZSA-N 0 0 199.257 2.733 10 30 AFEERN Cc1cn(C(=O)CC#N)c2ccccc12 75600506 572883369 /nfs/dbraw/zinc/88/33/69/572883369.db2.gz OFQWVTCABHVRKQ-UHFFFAOYSA-N 0 0 198.225 2.504 10 30 AFEERN C=CCC(C#N)(CC=C)c1ccncc1 75600858 572883383 /nfs/dbraw/zinc/88/33/83/572883383.db2.gz GMNWOLDZZMDFJU-UHFFFAOYSA-N 0 0 198.269 2.995 10 30 AFEERN CC[C@H]1N=C(c2ccccc2)C[C@H]1C#N 75600819 572883756 /nfs/dbraw/zinc/88/37/56/572883756.db2.gz SEYJKLVZHLHACO-NWDGAFQWSA-N 0 0 198.269 2.798 10 30 AFEERN C=CC[C@H](C[Si](C)(C)C)[C@H](C)O 307968669 572883917 /nfs/dbraw/zinc/88/39/17/572883917.db2.gz VESWPACDOBBHRK-VHSXEESVSA-N 0 0 186.371 2.898 10 30 AFEERN Cc1oc(Nc2ccccc2)nc1C#N 75601163 572883923 /nfs/dbraw/zinc/88/39/23/572883923.db2.gz NQAPJBZOYLJSGL-UHFFFAOYSA-N 0 0 199.213 2.598 10 30 AFEERN CC(C)(C)n1cc2cnc(C#N)cc2c1 75601351 572883931 /nfs/dbraw/zinc/88/39/31/572883931.db2.gz SVQWFFWKKGZLHR-UHFFFAOYSA-N 0 0 199.257 2.663 10 30 AFEERN C=CC[C@@H](C[Si](C)(C)C)[C@@H](C)O 307968670 572883943 /nfs/dbraw/zinc/88/39/43/572883943.db2.gz VESWPACDOBBHRK-ZJUUUORDSA-N 0 0 186.371 2.898 10 30 AFEERN Cc1ccc(-c2ncoc2CC#N)cc1 75600665 572883999 /nfs/dbraw/zinc/88/39/99/572883999.db2.gz PSTUCCKJNCZTNC-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN N#CCCOc1cccc2cnccc12 75600503 572884026 /nfs/dbraw/zinc/88/40/26/572884026.db2.gz PKIBCOIQRAQSON-UHFFFAOYSA-N 0 0 198.225 2.527 10 30 AFEERN COc1ccccc1-c1ccc(C#N)o1 75601084 572884220 /nfs/dbraw/zinc/88/42/20/572884220.db2.gz MCWLSIQSUFIAMS-UHFFFAOYSA-N 0 0 199.209 2.827 10 30 AFEERN Cn1ccc2cccc(C(C)(C)C#N)c21 75600849 572884482 /nfs/dbraw/zinc/88/44/82/572884482.db2.gz HARNLOYABNVMMM-UHFFFAOYSA-N 0 0 198.269 2.979 10 30 AFEERN CC(C)SCCC1=CC(=O)CC1 307968206 572884500 /nfs/dbraw/zinc/88/45/00/572884500.db2.gz UPIGPHUWVJJUHK-UHFFFAOYSA-N 0 0 184.304 2.807 10 30 AFEERN C=CC[C@@H](C[Si](C)(C)C)[C@H](C)O 307968668 572884504 /nfs/dbraw/zinc/88/45/04/572884504.db2.gz VESWPACDOBBHRK-UWVGGRQHSA-N 0 0 186.371 2.898 10 30 AFEERN Cc1ccccc1-c1ncoc1CC#N 75600666 572884604 /nfs/dbraw/zinc/88/46/04/572884604.db2.gz WYHABYIBQVGSHX-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN C#CC1=C[C@H](O)CCCCCCC1 308164994 572884660 /nfs/dbraw/zinc/88/46/60/572884660.db2.gz PWYVRUGWQQPWCK-GFCCVEGCSA-N 0 0 178.275 2.651 10 30 AFEERN CCCCN=NCCCC1CC1 307969152 572884725 /nfs/dbraw/zinc/88/47/25/572884725.db2.gz FQNHVMYGCBYACG-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN CC[C@@H]1N=C(c2ccccc2)C[C@H]1C#N 75600821 572884789 /nfs/dbraw/zinc/88/47/89/572884789.db2.gz SEYJKLVZHLHACO-RYUDHWBXSA-N 0 0 198.269 2.798 10 30 AFEERN C=C(C(F)(F)F)[C@](C)(O)[C@@H]1C[C@H]1C 307027650 572884917 /nfs/dbraw/zinc/88/49/17/572884917.db2.gz JYVHLGMJKVXKFU-NJUXHZRNSA-N 0 0 194.196 2.512 10 30 AFEERN Cc1cccc(-c2ncoc2CC#N)c1 75600668 572884919 /nfs/dbraw/zinc/88/49/19/572884919.db2.gz QMTSPTFXRCBJIT-UHFFFAOYSA-N 0 0 198.225 2.716 10 30 AFEERN C[C@@H]1CCCC[C@H]1C#CC(C)(C)O 221638971 572884926 /nfs/dbraw/zinc/88/49/26/572884926.db2.gz SFRJQFMZDPRSGH-MNOVXSKESA-N 0 0 180.291 2.587 10 30 AFEERN C=CCC(C#N)(CC=C)c1ccccn1 75600860 572885041 /nfs/dbraw/zinc/88/50/41/572885041.db2.gz RRBAKWXSFHMQAQ-UHFFFAOYSA-N 0 0 198.269 2.995 10 30 AFEERN CC[C@H]1N=C(c2ccccc2)C[C@@H]1C#N 75600823 572885063 /nfs/dbraw/zinc/88/50/63/572885063.db2.gz SEYJKLVZHLHACO-VXGBXAGGSA-N 0 0 198.269 2.798 10 30 AFEERN N#CCc1ocnc1C1CCCCC1 75600751 572885086 /nfs/dbraw/zinc/88/50/86/572885086.db2.gz OTCDLZYYCBCMNZ-UHFFFAOYSA-N 0 0 190.246 2.788 10 30 AFEERN C=C(COC)[C@]1(O)CCC[C@@H](C)CC1 307029154 572885116 /nfs/dbraw/zinc/88/51/16/572885116.db2.gz IWKBIVLMKNWUDW-PWSUYJOCSA-N 0 0 198.306 2.520 10 30 AFEERN C=CCCC(=O)O[C@@H](C)CC(C)C 308167695 572885186 /nfs/dbraw/zinc/88/51/86/572885186.db2.gz AIJQTOIHRALUTQ-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=CCOC(=O)C1(CCC)CCC1 308167556 572885271 /nfs/dbraw/zinc/88/52/71/572885271.db2.gz AIEYXXSBBNPKPB-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCC(C)(C)C(=O)O[C@@H](C)C=C 308166726 572885475 /nfs/dbraw/zinc/88/54/75/572885475.db2.gz DSMFKLGNUXLELX-VIFPVBQESA-N 0 0 182.263 2.706 10 30 AFEERN C[C@H]1CCCC[C@@H]1C#CC(C)(C)O 221638916 572885482 /nfs/dbraw/zinc/88/54/82/572885482.db2.gz SFRJQFMZDPRSGH-WDEREUQCSA-N 0 0 180.291 2.587 10 30 AFEERN C#CC[C@H](O)C1(C)CCCCCC1 307018490 572888130 /nfs/dbraw/zinc/88/81/30/572888130.db2.gz XCJUPTOALCIDAC-NSHDSACASA-N 0 0 180.291 2.731 10 30 AFEERN C=CCC[C@]1(O)CCCC[C@H]1C 307096502 572885540 /nfs/dbraw/zinc/88/55/40/572885540.db2.gz DPSWHLVMVBJSFD-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN C=CCC(C)(C)C(=O)O[C@H](C)C=C 308166725 572885566 /nfs/dbraw/zinc/88/55/66/572885566.db2.gz DSMFKLGNUXLELX-SECBINFHSA-N 0 0 182.263 2.706 10 30 AFEERN C#CCCCSCCCOCC 308166390 572885658 /nfs/dbraw/zinc/88/56/58/572885658.db2.gz UVLCVFUHYFYSHN-UHFFFAOYSA-N 0 0 186.320 2.560 10 30 AFEERN CCCC=NNCCC(C)(C)C 307968270 572885670 /nfs/dbraw/zinc/88/56/70/572885670.db2.gz DTLVTTUJMKPLBR-UHFFFAOYSA-N 0 0 170.300 2.798 10 30 AFEERN CON=C(C)CCc1ccsc1 307968802 572885795 /nfs/dbraw/zinc/88/57/95/572885795.db2.gz FJDLZSVYNAJCPG-UHFFFAOYSA-N 0 0 183.276 2.703 10 30 AFEERN C=CC[C@H](C[Si](C)(C)C)[C@@H](C)O 307968667 572886085 /nfs/dbraw/zinc/88/60/85/572886085.db2.gz VESWPACDOBBHRK-NXEZZACHSA-N 0 0 186.371 2.898 10 30 AFEERN C=C[C@@H](O)/C=C(\C)c1ccccc1 308168095 572886152 /nfs/dbraw/zinc/88/61/52/572886152.db2.gz SQDYVPGZTFIUCO-BZYZDCJZSA-N 0 0 174.243 2.637 10 30 AFEERN C=CC[C@@]1(C(C)C)C[C@@H]2C[C@@H]2[C@H]1O 307046513 572886182 /nfs/dbraw/zinc/88/61/82/572886182.db2.gz XUPGMJHPDJYAJM-YFKTTZPYSA-N 0 0 180.291 2.606 10 30 AFEERN CCCCCNN=CC1(C)CC1 307968275 572886295 /nfs/dbraw/zinc/88/62/95/572886295.db2.gz DTXAHQKVFCZASF-UHFFFAOYSA-N 0 0 168.284 2.552 10 30 AFEERN C=CC[C@@H](/C=C\CO)c1cccs1 308166818 572886362 /nfs/dbraw/zinc/88/63/62/572886362.db2.gz RYLRUZKJSLXMJY-NWPZZWLHSA-N 0 0 194.299 2.956 10 30 AFEERN C=C(C(=O)[C@@H](C)C(C)C)C(F)(F)F 308167485 572886939 /nfs/dbraw/zinc/88/69/39/572886939.db2.gz ZZNGWUAUNLOKQK-LURJTMIESA-N 0 0 194.196 2.966 10 30 AFEERN N#Cc1ccc2ccn(CC3CC3)c2c1 236263058 572887019 /nfs/dbraw/zinc/88/70/19/572887019.db2.gz SHMGPRJMNRNTCA-UHFFFAOYSA-N 0 0 196.253 2.923 10 30 AFEERN C=C(C(=O)[C@H](C)C(C)C)C(F)(F)F 308167488 572887148 /nfs/dbraw/zinc/88/71/48/572887148.db2.gz ZZNGWUAUNLOKQK-ZCFIWIBFSA-N 0 0 194.196 2.966 10 30 AFEERN C=C[C@@H]1C[C@@H](O)CC[C@@H]1C(=C)C 307048393 572887277 /nfs/dbraw/zinc/88/72/77/572887277.db2.gz BEEVROBYEQPUQD-OUAUKWLOSA-N 0 0 166.264 2.526 10 30 AFEERN C=C(COC)[C@@]1(O)CCC[C@@H](C)CC1 307029161 572887611 /nfs/dbraw/zinc/88/76/11/572887611.db2.gz IWKBIVLMKNWUDW-ZYHUDNBSSA-N 0 0 198.306 2.520 10 30 AFEERN C=C[C@@H]1C[C@@H]2C(C)=C[C@H]1C(=O)[C@@H]2C 307066570 572887785 /nfs/dbraw/zinc/88/77/85/572887785.db2.gz KAXFGRQFXPWPJJ-GWOFURMSSA-N 0 0 176.259 2.590 10 30 AFEERN CCC(C)=C=CC(=O)C(C)(C)C 196577708 572887872 /nfs/dbraw/zinc/88/78/72/572887872.db2.gz VCONGNLJRUHBEM-SECBINFHSA-N 0 0 166.264 2.651 10 30 AFEERN C=CCC[C@]1(O)CCCS[C@@H]1C 307061236 572888014 /nfs/dbraw/zinc/88/80/14/572888014.db2.gz FAJQEDNFMCNTET-ZJUUUORDSA-N 0 0 186.320 2.599 10 30 AFEERN C#CCON=C1CCC[C@H](CC)C1 308170504 572888024 /nfs/dbraw/zinc/88/80/24/572888024.db2.gz BEPPTQHAXQDGNS-JTQLQIEISA-N 0 0 179.263 2.592 10 30 AFEERN C=C(CSCc1ccco1)OC 308170561 572888277 /nfs/dbraw/zinc/88/82/77/572888277.db2.gz WKJRORZMIWOBFU-UHFFFAOYSA-N 0 0 184.260 2.673 10 30 AFEERN CC#CCC[C@](O)(CCC)C1CC1 308169873 572888350 /nfs/dbraw/zinc/88/83/50/572888350.db2.gz CAONKTCXAJXANQ-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN CC/C=C(/C#C/C=C/CO)CCC 308169208 572888383 /nfs/dbraw/zinc/88/83/83/572888383.db2.gz UIFLUMPHSRXKMA-ZOCAGLHBSA-N 0 0 178.275 2.675 10 30 AFEERN C=CCCOC(=O)[C@@H]1C[C@H]1CCC 308169383 572888439 /nfs/dbraw/zinc/88/84/39/572888439.db2.gz ATBYPFFZIMLRSU-NXEZZACHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CC[C@H](C)C(C)=NNC(C)(C)C 308169062 572888736 /nfs/dbraw/zinc/88/87/36/572888736.db2.gz YRPNZYXHCIZWLD-VIFPVBQESA-N 0 0 182.311 2.963 10 30 AFEERN CC[C@H](C)C(=O)C#CC(C)(C)C 196577758 572888780 /nfs/dbraw/zinc/88/87/80/572888780.db2.gz LUZWQQNWIQFVTN-VIFPVBQESA-N 0 0 166.264 2.651 10 30 AFEERN C=C1[C@@H](C(C)C)CC[C@]1(C)CCO 307050775 572888815 /nfs/dbraw/zinc/88/88/15/572888815.db2.gz ICOQGCPELUOUEK-VXGBXAGGSA-N 0 0 182.307 2.997 10 30 AFEERN C=CCCOC(=O)[C@@H]1C[C@@H]1CCC 308169385 572888892 /nfs/dbraw/zinc/88/88/92/572888892.db2.gz ATBYPFFZIMLRSU-VHSXEESVSA-N 0 0 182.263 2.542 10 30 AFEERN CC/C=C(/C#C/C=C\CO)CCC 308169204 572888926 /nfs/dbraw/zinc/88/89/26/572888926.db2.gz UIFLUMPHSRXKMA-BAIUDDDUSA-N 0 0 178.275 2.675 10 30 AFEERN C=C[C@@H]1C[C@H](O)CC[C@@H]1C(=C)C 307048389 572889994 /nfs/dbraw/zinc/88/99/94/572889994.db2.gz BEEVROBYEQPUQD-GMTAPVOTSA-N 0 0 166.264 2.526 10 30 AFEERN CC[C@@H](C)C(=O)C#CC(C)(C)C 196577753 572889639 /nfs/dbraw/zinc/88/96/39/572889639.db2.gz LUZWQQNWIQFVTN-SECBINFHSA-N 0 0 166.264 2.651 10 30 AFEERN CC#CCC[C@@](O)(CCC)C1CC1 308169875 572889847 /nfs/dbraw/zinc/88/98/47/572889847.db2.gz CAONKTCXAJXANQ-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN C=C[C@H](O)[C@@H]1C=C(/C=C\C)CCC1 308169191 572890259 /nfs/dbraw/zinc/89/02/59/572890259.db2.gz UHIWLYHACMIDNM-QGILPKKRSA-N 0 0 178.275 2.836 10 30 AFEERN C=C[C@H](CC)OC(=O)C(F)=C(C)C 308170419 572890313 /nfs/dbraw/zinc/89/03/13/572890313.db2.gz BDJAINUNBFCTCF-MRVPVSSYSA-N 0 0 186.226 2.758 10 30 AFEERN CCCC(=NN)C1CCCCC1 307978388 572890328 /nfs/dbraw/zinc/89/03/28/572890328.db2.gz NCEZCKYJSISZTF-UHFFFAOYSA-N 0 0 168.284 2.682 10 30 AFEERN C=CCCOC(=O)[C@H]1C[C@H]1CCC 308169386 572890441 /nfs/dbraw/zinc/89/04/41/572890441.db2.gz ATBYPFFZIMLRSU-ZJUUUORDSA-N 0 0 182.263 2.542 10 30 AFEERN CC[C@@H](C)ON=CC1CCCC1 307978083 572891935 /nfs/dbraw/zinc/89/19/35/572891935.db2.gz MRQXZTFLMAFYDM-SECBINFHSA-N 0 0 169.268 2.978 10 30 AFEERN CC[C@H](C)ON=CC1CCCC1 307978084 572890671 /nfs/dbraw/zinc/89/06/71/572890671.db2.gz MRQXZTFLMAFYDM-VIFPVBQESA-N 0 0 169.268 2.978 10 30 AFEERN C#CCCCC[C@H](O)C=C(C)C 307978449 572891133 /nfs/dbraw/zinc/89/11/33/572891133.db2.gz LIJCRZUEPXAADT-NSHDSACASA-N 0 0 166.264 2.507 10 30 AFEERN C#C/C=C(/CO)CCCCCC 307978062 572891238 /nfs/dbraw/zinc/89/12/38/572891238.db2.gz KTTNZNKHCYOJKR-DHZHZOJOSA-N 0 0 166.264 2.509 10 30 AFEERN C=C1CCCC[C@@H]1[C@H](O)/C=C\C 307978314 572891270 /nfs/dbraw/zinc/89/12/70/572891270.db2.gz KVDJMULOBYEHJY-QUQTYHIESA-N 0 0 166.264 2.670 10 30 AFEERN C=C(COC)[C@]1(O)CCCC(C)(C)C1 307071508 572891501 /nfs/dbraw/zinc/89/15/01/572891501.db2.gz GQFYEZBOTRVQLZ-LBPRGKRZSA-N 0 0 198.306 2.520 10 30 AFEERN CCN(CC#N)[C@H](C)c1cccs1 308172343 572891565 /nfs/dbraw/zinc/89/15/65/572891565.db2.gz BTHVNVMXAUBONM-SECBINFHSA-N 0 0 194.303 2.655 10 30 AFEERN C=C1CCCC=CCCC[C@H]1O 307978457 572891639 /nfs/dbraw/zinc/89/16/39/572891639.db2.gz LINMXNXIOXTBLY-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H](C)[C@@H](C)C(=O)OC1CCC1 308172271 572891734 /nfs/dbraw/zinc/89/17/34/572891734.db2.gz AJBRTUNIDXHOLW-DTWKUNHWSA-N 0 0 182.263 2.540 10 30 AFEERN CCCC#C/C=C\[C@@H](O)CCC 307978451 572891739 /nfs/dbraw/zinc/89/17/39/572891739.db2.gz LIJOPJINSPNORA-IEHMKBBKSA-N 0 0 166.264 2.507 10 30 AFEERN C=C[C@H](C)Nc1cc(C)c(C)cc1N 307045397 572891856 /nfs/dbraw/zinc/89/18/56/572891856.db2.gz VJXHWFOYAQFYTQ-JTQLQIEISA-N 0 0 190.290 2.872 10 30 AFEERN CCCCCNN=C[C@H](C)CC 307973051 572892276 /nfs/dbraw/zinc/89/22/76/572892276.db2.gz IMSFMLNPROXYQW-SNVBAGLBSA-N 0 0 170.300 2.798 10 30 AFEERN CCCNN=C(C)CCC(C)C 307978291 572892479 /nfs/dbraw/zinc/89/24/79/572892479.db2.gz MYJACJXFKRQOAX-UHFFFAOYSA-N 0 0 170.300 2.798 10 30 AFEERN CCCCCNN=C[C@@H](C)CC 307973048 572892483 /nfs/dbraw/zinc/89/24/83/572892483.db2.gz IMSFMLNPROXYQW-JTQLQIEISA-N 0 0 170.300 2.798 10 30 AFEERN C=C1CCCC=CCCC[C@@H]1O 307978458 572892487 /nfs/dbraw/zinc/89/24/87/572892487.db2.gz LINMXNXIOXTBLY-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN C=C1CCCC[C@@H]1[C@@H](O)/C=C\C 307978311 572892561 /nfs/dbraw/zinc/89/25/61/572892561.db2.gz KVDJMULOBYEHJY-QRAOYFGOSA-N 0 0 166.264 2.670 10 30 AFEERN C=CCC1=C/C(=C/C)CC[C@H]1O 307978845 572892582 /nfs/dbraw/zinc/89/25/82/572892582.db2.gz LKVAYJCBHVUBBI-VCFDLTMXSA-N 0 0 164.248 2.590 10 30 AFEERN C=CC(C)(C)CNc1ccccc1N 307041990 572892669 /nfs/dbraw/zinc/89/26/69/572892669.db2.gz LKWWALCZZYVEIK-UHFFFAOYSA-N 0 0 190.290 2.893 10 30 AFEERN C#CCON=C(C)CCCCCC 308172345 572892689 /nfs/dbraw/zinc/89/26/89/572892689.db2.gz BTLOXDJADKPFJP-UHFFFAOYSA-N 0 0 181.279 2.983 10 30 AFEERN CS[C@H](C=O)CCc1ccccc1 75597130 572895282 /nfs/dbraw/zinc/89/52/82/572895282.db2.gz IRRAWKRAYBKIKY-NSHDSACASA-N 0 0 194.299 2.550 10 30 AFEERN C#CC/C=C\[C@@H](O)CCCCCC 308170746 572892893 /nfs/dbraw/zinc/89/28/93/572892893.db2.gz VKFSFMLJTTZHHE-VPUINMBXSA-N 0 0 180.291 2.897 10 30 AFEERN C=C(C)CCn1ccc(C(C)C)n1 308170804 572893042 /nfs/dbraw/zinc/89/30/42/572893042.db2.gz ZLASAPXXCCIHTF-UHFFFAOYSA-N 0 0 178.279 2.973 10 30 AFEERN CC#CC[C@@H](O)[C@@H]1CC2CCC1CC2 307050904 572893294 /nfs/dbraw/zinc/89/32/94/572893294.db2.gz MFAMLFZXENKJHI-FIYWTHMPSA-N 0 0 192.302 2.587 10 30 AFEERN C#CC/C=C\[C@H](O)CCCCCC 308170745 572893345 /nfs/dbraw/zinc/89/33/45/572893345.db2.gz VKFSFMLJTTZHHE-CUZBXDDWSA-N 0 0 180.291 2.897 10 30 AFEERN C[C@@H](C#N)c1ccc(C(C)(C)O)cc1 118844503 572893496 /nfs/dbraw/zinc/89/34/96/572893496.db2.gz BDUXELCDTLVJJG-VIFPVBQESA-N 0 0 189.258 2.541 10 30 AFEERN C=CC(C)(C=C)CC/C=C\CO 307973735 572893558 /nfs/dbraw/zinc/89/35/58/572893558.db2.gz CKTZRBSRQVLIEP-VURMDHGXSA-N 0 0 166.264 2.693 10 30 AFEERN C=C(C)[C@H]([NH2+]C)c1csc(C)c1 307060015 572893827 /nfs/dbraw/zinc/89/38/27/572893827.db2.gz NCDAIMZGYBYESF-JTQLQIEISA-N 0 0 181.304 2.893 10 30 AFEERN Cc1nccn1CCCCCCC#N 118770040 572893903 /nfs/dbraw/zinc/89/39/03/572893903.db2.gz ZIJAZWLITNZGNV-UHFFFAOYSA-N 0 0 191.278 2.666 10 30 AFEERN CS[C@@H](C=O)CCc1ccccc1 75597132 572894017 /nfs/dbraw/zinc/89/40/17/572894017.db2.gz IRRAWKRAYBKIKY-LLVKDONJSA-N 0 0 194.299 2.550 10 30 AFEERN C=C[C@@H](C)OC(=O)C(CC)CC 307973603 572894100 /nfs/dbraw/zinc/89/41/00/572894100.db2.gz IXZHFUCERDIKBO-MRVPVSSYSA-N 0 0 170.252 2.540 10 30 AFEERN CCCC1CCC(CN=N)CC1 307974633 572894117 /nfs/dbraw/zinc/89/41/17/572894117.db2.gz JTBMLYFMGUSCOS-UHFFFAOYSA-N 0 0 168.284 2.537 10 30 AFEERN C=C[C@H](C)OC(=O)C(CC)CC 307973604 572894279 /nfs/dbraw/zinc/89/42/79/572894279.db2.gz IXZHFUCERDIKBO-QMMMGPOBSA-N 0 0 170.252 2.540 10 30 AFEERN Cc1c(C#N)cccc1OCC1CC1 118850905 572894290 /nfs/dbraw/zinc/89/42/90/572894290.db2.gz ZVLHQYCVJVGUMJ-UHFFFAOYSA-N 0 0 187.242 2.656 10 30 AFEERN C=C(C)C[C@@H](O)C1(COC)CCCC1 312952477 572894384 /nfs/dbraw/zinc/89/43/84/572894384.db2.gz MCVWVAVKJXCCJX-LLVKDONJSA-N 0 0 198.306 2.520 10 30 AFEERN CCCCNN=C1CCCCC1 307973621 572894404 /nfs/dbraw/zinc/89/44/04/572894404.db2.gz IZEQTNHNQZIIOP-UHFFFAOYSA-N 0 0 168.284 2.696 10 30 AFEERN C[C@H](CC=O)SCc1ccccc1 75597122 572894462 /nfs/dbraw/zinc/89/44/62/572894462.db2.gz KWUTWOCEYYGADW-SNVBAGLBSA-N 0 0 194.299 2.897 10 30 AFEERN CC1=CCCC(=O)[C@@]1(C)CCCC=O 75596896 572894528 /nfs/dbraw/zinc/89/45/28/572894528.db2.gz QQBYJUNVSPHFJP-LBPRGKRZSA-N 0 0 194.274 2.671 10 30 AFEERN CC(C)(C=O)CC[C@@H]1CCC=CC1=O 75596968 572894597 /nfs/dbraw/zinc/89/45/97/572894597.db2.gz BSRIAVNTIQNQTH-JTQLQIEISA-N 0 0 194.274 2.527 10 30 AFEERN C=C[C@H](O)[C@@H]1CCC[C@@H](CC)C1 307073566 572894796 /nfs/dbraw/zinc/89/47/96/572894796.db2.gz JRBBEFXOGHQINS-MXWKQRLJSA-N 0 0 168.280 2.750 10 30 AFEERN CCCCCCCC(C)=NNC 307973645 572894813 /nfs/dbraw/zinc/89/48/13/572894813.db2.gz JAKMFRNHPBHALL-UHFFFAOYSA-N 0 0 170.300 2.942 10 30 AFEERN C[C@@H](CC=O)SCc1ccccc1 75597120 572894865 /nfs/dbraw/zinc/89/48/65/572894865.db2.gz KWUTWOCEYYGADW-JTQLQIEISA-N 0 0 194.299 2.897 10 30 AFEERN CCON=C1CCCC[C@H]1SC 308164173 572895043 /nfs/dbraw/zinc/89/50/43/572895043.db2.gz TWQHSWRRLYPPOS-SECBINFHSA-N 0 0 187.308 2.685 10 30 AFEERN CC1=CCCC(=O)[C@]1(C)CCCC=O 75596898 572895225 /nfs/dbraw/zinc/89/52/25/572895225.db2.gz QQBYJUNVSPHFJP-GFCCVEGCSA-N 0 0 194.274 2.671 10 30 AFEERN C=C(C)C(C/C=C\CO)=C(C)C 307974006 572895243 /nfs/dbraw/zinc/89/52/43/572895243.db2.gz CPEHFTNAXKJSKZ-WAYWQWQTSA-N 0 0 166.264 2.838 10 30 AFEERN C=C[C@H]1[C@H]2CC(C)(C)C[C@H]2C[C@H]1CO 307042634 572895602 /nfs/dbraw/zinc/89/56/02/572895602.db2.gz SELGYUFHWLYJNJ-KXNHARMFSA-N 0 0 194.318 2.853 10 30 AFEERN CC(C)[C@@H](C)C[C@@H](C#N)N1CCCC1 75597192 572895776 /nfs/dbraw/zinc/89/57/76/572895776.db2.gz GRIIICNKRZJFRH-RYUDHWBXSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@H](C#N)c1ccc(C(C)(C)O)cc1 118844505 572895950 /nfs/dbraw/zinc/89/59/50/572895950.db2.gz BDUXELCDTLVJJG-SECBINFHSA-N 0 0 189.258 2.541 10 30 AFEERN O=CCC12CCC(CC=O)(CC1)CC2 75596905 572896007 /nfs/dbraw/zinc/89/60/07/572896007.db2.gz BISFPYOTKMCPDP-UHFFFAOYSA-N 0 0 194.274 2.505 10 30 AFEERN C=C1[C@@H]2CCC(=O)[C@H]2CCC1(C)C 209133880 572896091 /nfs/dbraw/zinc/89/60/91/572896091.db2.gz KYWKIOUPLRSGGQ-UWVGGRQHSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)[C@@H](C)C[C@H](C#N)N1CCCC1 75597200 572896222 /nfs/dbraw/zinc/89/62/22/572896222.db2.gz GRIIICNKRZJFRH-NWDGAFQWSA-N 0 0 194.322 2.657 10 30 AFEERN CCON=C1CCCC[C@@H]1SC 308164177 572896434 /nfs/dbraw/zinc/89/64/34/572896434.db2.gz TWQHSWRRLYPPOS-VIFPVBQESA-N 0 0 187.308 2.685 10 30 AFEERN C[C@@H]1C[C@]1(C#N)Cc1ccccc1 118904623 572896995 /nfs/dbraw/zinc/89/69/95/572896995.db2.gz MBSUYPJUCHHRSZ-ZYHUDNBSSA-N 0 0 171.243 2.779 10 30 AFEERN CC(C)C(=NOCC1CC1)C1CC1 308174406 572897147 /nfs/dbraw/zinc/89/71/47/572897147.db2.gz HBUPRLPPCVKPDQ-UHFFFAOYSA-N 0 0 181.279 2.835 10 30 AFEERN C=CCSc1c(F)cccc1C=O 308176041 572897235 /nfs/dbraw/zinc/89/72/35/572897235.db2.gz FHJRPEOGIDAMAR-UHFFFAOYSA-N 0 0 196.246 2.916 10 30 AFEERN Cc1cccc(-c2nocc2C#N)c1 71499502 572897471 /nfs/dbraw/zinc/89/74/71/572897471.db2.gz NAHCRGRDNVXTFH-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C#CC[C@](O)(CCC(C)C)C1CC1 308176084 572897643 /nfs/dbraw/zinc/89/76/43/572897643.db2.gz FKSHVDJOASJBKY-LBPRGKRZSA-N 0 0 180.291 2.587 10 30 AFEERN C[C@H]1C[C@]1(C#N)Cc1ccccc1 118904624 572897798 /nfs/dbraw/zinc/89/77/98/572897798.db2.gz MBSUYPJUCHHRSZ-CMPLNLGQSA-N 0 0 171.243 2.779 10 30 AFEERN C=CCc1cnccc1Br 196703845 572897810 /nfs/dbraw/zinc/89/78/10/572897810.db2.gz AGTMCXFUGRARQR-UHFFFAOYSA-N 0 0 198.063 2.573 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)Cc1ccccc1 118904626 572897905 /nfs/dbraw/zinc/89/79/05/572897905.db2.gz MBSUYPJUCHHRSZ-PWSUYJOCSA-N 0 0 171.243 2.779 10 30 AFEERN CCCCC[C@@H]1OCCC[C@H]1C#N 86245163 572898055 /nfs/dbraw/zinc/89/80/55/572898055.db2.gz UXJXGQWQGXFEBF-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN C=C(Cl)CN(CC)Cc1ccco1 308175135 572898173 /nfs/dbraw/zinc/89/81/73/572898173.db2.gz CZILEELREISXSJ-UHFFFAOYSA-N 0 0 199.681 2.854 10 30 AFEERN CC[C@@H](C#N)NCC1C(C)(C)C1(C)C 86239956 572898222 /nfs/dbraw/zinc/89/82/22/572898222.db2.gz MFIRMIAZJWSUJW-VIFPVBQESA-N 0 0 194.322 2.560 10 30 AFEERN Cc1ccc(-c2nocc2C#N)cc1 71499504 572898428 /nfs/dbraw/zinc/89/84/28/572898428.db2.gz MCAXZNGHODLDKH-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN CCCCC[C@@H]1OCCC[C@@H]1C#N 86245165 572898470 /nfs/dbraw/zinc/89/84/70/572898470.db2.gz UXJXGQWQGXFEBF-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@H]1CCC(=NOCC(F)F)C1 308174710 572898551 /nfs/dbraw/zinc/89/85/51/572898551.db2.gz CVWKTJUGWQHLNR-ZETCQYMHSA-N 0 0 191.221 2.834 10 30 AFEERN CCCCCC[C@@H]1OCC[C@@H]1C#N 86245149 572898654 /nfs/dbraw/zinc/89/86/54/572898654.db2.gz GZXCAAMZKMQJDQ-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN C#CC[C@@](O)(CCC(C)C)C1CC1 308176083 572898819 /nfs/dbraw/zinc/89/88/19/572898819.db2.gz FKSHVDJOASJBKY-GFCCVEGCSA-N 0 0 180.291 2.587 10 30 AFEERN C[C@H]1C[C@@]1(C#N)Cc1ccccc1 118904628 572898856 /nfs/dbraw/zinc/89/88/56/572898856.db2.gz MBSUYPJUCHHRSZ-JQWIXIFHSA-N 0 0 171.243 2.779 10 30 AFEERN CCCCCC[C@@H]1OCC[C@H]1C#N 86245147 572899033 /nfs/dbraw/zinc/89/90/33/572899033.db2.gz GZXCAAMZKMQJDQ-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN C=CC(=O)c1ccc(OCC)c(F)c1 71506663 572898987 /nfs/dbraw/zinc/89/89/87/572898987.db2.gz ZTOWRDHLIMZXQR-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN CCCCCC[C@H]1OCC[C@H]1C#N 86245146 572899371 /nfs/dbraw/zinc/89/93/71/572899371.db2.gz GZXCAAMZKMQJDQ-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CCCCC[C@H]1OCCC[C@@H]1C#N 86245164 572899374 /nfs/dbraw/zinc/89/93/74/572899374.db2.gz UXJXGQWQGXFEBF-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN CCCCCC[C@H]1OCC[C@@H]1C#N 86245148 572899675 /nfs/dbraw/zinc/89/96/75/572899675.db2.gz GZXCAAMZKMQJDQ-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN CCC[C@H](C)[C@H]1CC[C@H](CC#N)O1 308176737 572899717 /nfs/dbraw/zinc/89/97/17/572899717.db2.gz BDEZCSSEZTYIRH-HBNTYKKESA-N 0 0 181.279 2.884 10 30 AFEERN CCCCC[C@H]1OCCC[C@H]1C#N 86245162 572900030 /nfs/dbraw/zinc/90/00/30/572900030.db2.gz UXJXGQWQGXFEBF-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@H](C#N)NCC1C(C)(C)C1(C)C 86239957 572900075 /nfs/dbraw/zinc/90/00/75/572900075.db2.gz MFIRMIAZJWSUJW-SECBINFHSA-N 0 0 194.322 2.560 10 30 AFEERN CCC[C@H](C)[C@@H]1CC[C@H](CC#N)O1 308176723 572900082 /nfs/dbraw/zinc/90/00/82/572900082.db2.gz BDEZCSSEZTYIRH-AXFHLTTASA-N 0 0 181.279 2.884 10 30 AFEERN CC(C)CCOCCC1(C#N)CC1 308177341 572900180 /nfs/dbraw/zinc/90/01/80/572900180.db2.gz FUVABOMKYLUORS-UHFFFAOYSA-N 0 0 181.279 2.743 10 30 AFEERN CCC[C@H](C)[C@H]1CC[C@@H](CC#N)O1 308176732 572900688 /nfs/dbraw/zinc/90/06/88/572900688.db2.gz BDEZCSSEZTYIRH-GARJFASQSA-N 0 0 181.279 2.884 10 30 AFEERN CCCCCC/C=C\C#CCCO 308172761 572900924 /nfs/dbraw/zinc/90/09/24/572900924.db2.gz WZHUOODYSPXSFH-FPLPWBNLSA-N 0 0 180.291 2.899 10 30 AFEERN C#CC/C=C(/C)CC/C=C(/C)CO 308173430 572901307 /nfs/dbraw/zinc/90/13/07/572901307.db2.gz YAKHRPLGMZQDJN-CFXHALTNSA-N 0 0 178.275 2.675 10 30 AFEERN CC/C=C\C(=O)c1cccc(F)c1 308173434 572901544 /nfs/dbraw/zinc/90/15/44/572901544.db2.gz YAVZCXNYCGPEIQ-CLTKARDFSA-N 0 0 178.206 2.975 10 30 AFEERN CC/C(=N/O)c1cccc(Cl)c1 57324247 572901933 /nfs/dbraw/zinc/90/19/33/572901933.db2.gz KXFNMSPCPATVRL-LUAWRHEFSA-N 0 0 183.638 2.928 10 30 AFEERN CC(C)C(=O)c1cc(C#N)ccc1F 75854768 572901967 /nfs/dbraw/zinc/90/19/67/572901967.db2.gz CREFSTHYOQPYGT-UHFFFAOYSA-N 0 0 191.205 2.536 10 30 AFEERN C#CC/C=C(/C)CC/C=C(\C)CO 308173431 572902308 /nfs/dbraw/zinc/90/23/08/572902308.db2.gz YAKHRPLGMZQDJN-VNPQWULESA-N 0 0 178.275 2.675 10 30 AFEERN Cc1ccc(C#N)cc1[C@@H](O)C(C)C 75853975 572902263 /nfs/dbraw/zinc/90/22/63/572902263.db2.gz BCOFQXANJIXURV-LBPRGKRZSA-N 0 0 189.258 2.556 10 30 AFEERN Cc1ccc(C#N)cc1C(C)C 75839316 572902793 /nfs/dbraw/zinc/90/27/93/572902793.db2.gz PSZAZNHJQIFDJX-UHFFFAOYSA-N 0 0 159.232 2.990 10 30 AFEERN CCCOc1ccccc1C(C)=NO 308173923 572902963 /nfs/dbraw/zinc/90/29/63/572902963.db2.gz ZDJBKXCRNOEWCW-UHFFFAOYSA-N 0 0 193.246 2.674 10 30 AFEERN Cc1ccc(C#N)cc1[C@H](O)C(C)C 75853974 572903110 /nfs/dbraw/zinc/90/31/10/572903110.db2.gz BCOFQXANJIXURV-GFCCVEGCSA-N 0 0 189.258 2.556 10 30 AFEERN CC#C[C@](O)(CCC(C)C)C1CC1 308177435 572903281 /nfs/dbraw/zinc/90/32/81/572903281.db2.gz FXZZISDGFPQKCX-LBPRGKRZSA-N 0 0 180.291 2.587 10 30 AFEERN C/C(=N/O)c1ccc(Cl)s1 57324243 572903342 /nfs/dbraw/zinc/90/33/42/572903342.db2.gz SAKFSNNHUKWFBY-YWEYNIOJSA-N 0 0 175.640 2.600 10 30 AFEERN CC#CC[C@H](O)C(C(C)C)C(C)C 308179216 572904320 /nfs/dbraw/zinc/90/43/20/572904320.db2.gz GKXIGQZKEYQOJV-NSHDSACASA-N 0 0 182.307 2.689 10 30 AFEERN C=CCSCc1ccc(NC)nc1 308178524 572904831 /nfs/dbraw/zinc/90/48/31/572904831.db2.gz GHUHCYKXSQJBMA-UHFFFAOYSA-N 0 0 194.303 2.543 10 30 AFEERN C=CCSc1ncccc1C(C)=O 308181506 572905269 /nfs/dbraw/zinc/90/52/69/572905269.db2.gz HNFFNUYSYRSKRH-UHFFFAOYSA-N 0 0 193.271 2.562 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C(C)(C)C 307942965 572905341 /nfs/dbraw/zinc/90/53/41/572905341.db2.gz DWPXQLIFDXJWSN-QMMMGPOBSA-N 0 0 170.252 2.540 10 30 AFEERN Cc1ccc(C(C)C)c(O)c1C#N 75847308 572905670 /nfs/dbraw/zinc/90/56/70/572905670.db2.gz GXYJAPRDWQQWOJ-UHFFFAOYSA-N 0 0 175.231 2.696 10 30 AFEERN COc1c(C(C)C)ccc(C)c1C#N 75847309 572906259 /nfs/dbraw/zinc/90/62/59/572906259.db2.gz NCIMQTUDKCPCOK-UHFFFAOYSA-N 0 0 189.258 2.999 10 30 AFEERN C=C(C)c1ccc(C(=O)OCC)cc1 35854998 572906867 /nfs/dbraw/zinc/90/68/67/572906867.db2.gz QKIMARASASOIRQ-UHFFFAOYSA-N 0 0 190.242 2.896 10 30 AFEERN N#Cc1nc2c(ccc3ccccc32)o1 75847280 572906991 /nfs/dbraw/zinc/90/69/91/572906991.db2.gz ZOZWULWTWGQGSZ-UHFFFAOYSA-N 0 0 194.193 2.853 10 30 AFEERN CC[C@@](C)(C#N)COCC(F)(F)F 308185795 572907252 /nfs/dbraw/zinc/90/72/52/572907252.db2.gz JOHDPCJGNCPBFD-ZETCQYMHSA-N 0 0 195.184 2.505 10 30 AFEERN N#Cc1ccc(-c2ncccc2F)cc1 75872986 572907308 /nfs/dbraw/zinc/90/73/08/572907308.db2.gz GIVYNPNGIJXAEC-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CC[C@](C)(C#N)COCC(F)(F)F 308185794 572907381 /nfs/dbraw/zinc/90/73/81/572907381.db2.gz JOHDPCJGNCPBFD-SSDOTTSWSA-N 0 0 195.184 2.505 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C)/C(=C\CO)C1 308183695 572907408 /nfs/dbraw/zinc/90/74/08/572907408.db2.gz DPVWONXBGUNKGT-RXOUDOFYSA-N 0 0 180.291 2.917 10 30 AFEERN Cc1nc(-c2ccc(C#N)cc2)oc1C 75873082 572908223 /nfs/dbraw/zinc/90/82/23/572908223.db2.gz CZWHTODXTPXIQU-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C=CCC(=NOCCSC)C1CC1 308181664 572910777 /nfs/dbraw/zinc/91/07/77/572910777.db2.gz GWFRVHDNTJRBNY-UHFFFAOYSA-N 0 0 199.319 2.708 10 30 AFEERN N#C[C@H]1C[C@H]2CCC[C@@H](C1)C2 250518302 572908654 /nfs/dbraw/zinc/90/86/54/572908654.db2.gz IRIBPTSFUSWKRO-ILWJIGKKSA-N 0 0 149.237 2.726 10 30 AFEERN N#C[C@@H]1C[C@H]2CCC[C@H](C2)C1 250518306 572908686 /nfs/dbraw/zinc/90/86/86/572908686.db2.gz IRIBPTSFUSWKRO-MYJAWHEDSA-N 0 0 149.237 2.726 10 30 AFEERN C=CCCC/C(=C/C)OCCCO 237984256 572910550 /nfs/dbraw/zinc/91/05/50/572910550.db2.gz AGTQYGUZQNKFFV-WCIBSUBMSA-N 0 0 184.279 2.646 10 30 AFEERN CC[C@H](C#N)n1nc(C)c(Cl)c1C 50586698 572909347 /nfs/dbraw/zinc/90/93/47/572909347.db2.gz JWVGLHLINLMMKL-MRVPVSSYSA-N 0 0 197.669 2.628 10 30 AFEERN Cc1ccc(C2=CC(=O)CCC2)nc1 75864882 572909429 /nfs/dbraw/zinc/90/94/29/572909429.db2.gz XZHXVTRXZMKEPT-UHFFFAOYSA-N 0 0 187.242 2.526 10 30 AFEERN C=C[C@@H](CC)[C@@H](O)CC(C)C 307919867 572909472 /nfs/dbraw/zinc/90/94/72/572909472.db2.gz HPFBEGSXBLLOMP-UWVGGRQHSA-N 0 0 156.269 2.606 10 30 AFEERN Cc1coc(-c2ccc(C#N)cc2)n1 75873081 572909568 /nfs/dbraw/zinc/90/95/68/572909568.db2.gz JIGKATDOKAEAHL-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN Cc1cnc(C2=CC(=O)CCC2)s1 75864886 572909785 /nfs/dbraw/zinc/90/97/85/572909785.db2.gz RQAPVOTWWZYDTB-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN CCC(=NN1CCCCC1)C1CC1 308184561 572909824 /nfs/dbraw/zinc/90/98/24/572909824.db2.gz IWJOTDCEFIVBGI-UHFFFAOYSA-N 0 0 180.295 2.648 10 30 AFEERN Cc1ccc(/C=N\Cl)cc1 204918922 572909842 /nfs/dbraw/zinc/90/98/42/572909842.db2.gz GUCKYHLPLNNQJW-POHAHGRESA-N 0 0 153.612 2.568 10 30 AFEERN CC[C@@H](C#N)n1nc(C)c(Cl)c1C 50586697 572910849 /nfs/dbraw/zinc/91/08/49/572910849.db2.gz JWVGLHLINLMMKL-QMMMGPOBSA-N 0 0 197.669 2.628 10 30 AFEERN Cc1csc(C2=CC(=O)CCC2)n1 75864883 572910220 /nfs/dbraw/zinc/91/02/20/572910220.db2.gz CQFUXYOBAPLDFS-UHFFFAOYSA-N 0 0 193.271 2.588 10 30 AFEERN C=CCCOC(=O)NC1CCCCC1 200215200 572910304 /nfs/dbraw/zinc/91/03/04/572910304.db2.gz HNQMTOISSCAPMU-UHFFFAOYSA-N 0 0 197.278 2.621 10 30 AFEERN C=CCON=Cc1ccccc1Cl 308182163 572910361 /nfs/dbraw/zinc/91/03/61/572910361.db2.gz HCHIVODXBWUPRB-UHFFFAOYSA-N 0 0 195.649 2.877 10 30 AFEERN CCC[C@@](C)(C#N)C[C@@H](O)C(C)C 308181741 572910606 /nfs/dbraw/zinc/91/06/06/572910606.db2.gz DBOQPDXAABCWBX-GHMZBOCLSA-N 0 0 183.295 2.723 10 30 AFEERN C=C1CC(CCC)C1 196704025 572911086 /nfs/dbraw/zinc/91/10/86/572911086.db2.gz GJFBAZVVLOIOHB-UHFFFAOYSA-N 0 0 110.200 2.753 10 30 AFEERN C=C(C)CCOC(=O)/C(=C/C)CC 308181986 572911867 /nfs/dbraw/zinc/91/18/67/572911867.db2.gz HTTXYZJFEREWSR-BJMVGYQFSA-N 0 0 182.263 2.852 10 30 AFEERN CCC[C@](C)(C#N)C[C@@H](O)C(C)C 308181742 572911897 /nfs/dbraw/zinc/91/18/97/572911897.db2.gz DBOQPDXAABCWBX-MNOVXSKESA-N 0 0 183.295 2.723 10 30 AFEERN C=C(C)CCOC(=O)/C(=C\C)CC 308181987 572911998 /nfs/dbraw/zinc/91/19/98/572911998.db2.gz HTTXYZJFEREWSR-YHYXMXQVSA-N 0 0 182.263 2.852 10 30 AFEERN CCC[C@@H](C#N)C(=O)C(C)(C)CC 86314301 572912097 /nfs/dbraw/zinc/91/20/97/572912097.db2.gz RXWOEZURHPIAFI-VIFPVBQESA-N 0 0 181.279 2.932 10 30 AFEERN CCC[C@@H](C)C(=O)[C@@H](C#N)CCC 86314423 572912104 /nfs/dbraw/zinc/91/21/04/572912104.db2.gz HEHVJOCHIGCAFB-NXEZZACHSA-N 0 0 181.279 2.932 10 30 AFEERN CCC[C@H](C#N)C(=O)c1ccoc1C 86314348 572912115 /nfs/dbraw/zinc/91/21/15/572912115.db2.gz KSVCUWHWTPIDTH-SECBINFHSA-N 0 0 191.230 2.711 10 30 AFEERN C=C(C)CC#CC[C@H](O)/C=C/C=C/C 238003128 572912127 /nfs/dbraw/zinc/91/21/27/572912127.db2.gz IDIYFFJHOLKGPQ-QEAFCZJCSA-N 0 0 190.286 2.839 10 30 AFEERN CCC[C@@H](C#N)C(=O)[C@H](C)CCC 86314421 572912140 /nfs/dbraw/zinc/91/21/40/572912140.db2.gz HEHVJOCHIGCAFB-ZJUUUORDSA-N 0 0 181.279 2.932 10 30 AFEERN C/C=C/CCC#CCCCCO 238009001 572912155 /nfs/dbraw/zinc/91/21/55/572912155.db2.gz FDNAXYJZRDEHBI-NSCUHMNNSA-N 0 0 166.264 2.509 10 30 AFEERN CCC[C@H](C#N)C(=O)C(C)(C)CC 86314302 572912166 /nfs/dbraw/zinc/91/21/66/572912166.db2.gz RXWOEZURHPIAFI-SECBINFHSA-N 0 0 181.279 2.932 10 30 AFEERN C=C(CN=[N+]=[N-])C(=C)CN=[N+]=[N-] 238005006 572912167 /nfs/dbraw/zinc/91/21/67/572912167.db2.gz FJCQLPPZQCCMTI-UHFFFAOYSA-N 0 0 164.172 2.719 10 30 AFEERN CCC[C@H](C#N)C(=O)[C@H](C)CC 86314454 572912170 /nfs/dbraw/zinc/91/21/70/572912170.db2.gz HLFCHLBSRVVKFR-RKDXNWHRSA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@@H](C#N)C(=O)c1ccoc1C 86314347 572912248 /nfs/dbraw/zinc/91/22/48/572912248.db2.gz KSVCUWHWTPIDTH-VIFPVBQESA-N 0 0 191.230 2.711 10 30 AFEERN C=CCSCc1cc(N)cc(F)c1 308185312 572912385 /nfs/dbraw/zinc/91/23/85/572912385.db2.gz JHUPZOKIVIAMQA-UHFFFAOYSA-N 0 0 197.278 2.827 10 30 AFEERN CCC[C@H](C)C(=O)[C@H](C#N)CCC 86314422 572912429 /nfs/dbraw/zinc/91/24/29/572912429.db2.gz HEHVJOCHIGCAFB-UWVGGRQHSA-N 0 0 181.279 2.932 10 30 AFEERN C=C(C)C[C@@H]1[C@H]([C@H](O)CC)C1(C)C 308188079 572913732 /nfs/dbraw/zinc/91/37/32/572913732.db2.gz HETVHYCAFJCYIP-GMTAPVOTSA-N 0 0 182.307 2.996 10 30 AFEERN CCC[C@H](C#N)C(=O)c1occc1C 86314244 572912563 /nfs/dbraw/zinc/91/25/63/572912563.db2.gz LBOKNSSKHVGCRF-SECBINFHSA-N 0 0 191.230 2.711 10 30 AFEERN CCC[C@H](C#N)C(=O)C(CC)CC 86314420 572912593 /nfs/dbraw/zinc/91/25/93/572912593.db2.gz FCFYAIALWFPXGZ-SNVBAGLBSA-N 0 0 181.279 2.932 10 30 AFEERN CCC[C@H](C#N)C(=O)c1ccc(C)o1 86314382 572912613 /nfs/dbraw/zinc/91/26/13/572912613.db2.gz OLTJQJQRAYIZLX-SECBINFHSA-N 0 0 191.230 2.711 10 30 AFEERN CCC[C@H](C#N)C(=O)[C@@H](C)CC 86314452 572912620 /nfs/dbraw/zinc/91/26/20/572912620.db2.gz HLFCHLBSRVVKFR-DTWKUNHWSA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@@H](C#N)C(=O)c1ccc(C)o1 86314381 572912630 /nfs/dbraw/zinc/91/26/30/572912630.db2.gz OLTJQJQRAYIZLX-VIFPVBQESA-N 0 0 191.230 2.711 10 30 AFEERN CCC[C@@H](C#N)C(=O)CC(C)C 86314281 572912650 /nfs/dbraw/zinc/91/26/50/572912650.db2.gz OBWPFAIFEBULQN-VIFPVBQESA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@@H](C#N)C(=O)C1CCCC1 86314343 572912695 /nfs/dbraw/zinc/91/26/95/572912695.db2.gz RWWONEUDHGBKST-JTQLQIEISA-N 0 0 179.263 2.686 10 30 AFEERN C=C(C)CC#CC[C@@H](O)/C=C/C=C/C 238004840 572912752 /nfs/dbraw/zinc/91/27/52/572912752.db2.gz IDIYFFJHOLKGPQ-WROVLRHPSA-N 0 0 190.286 2.839 10 30 AFEERN CCCN[C@@H](C#N)[C@@H](C)C(C)(C)C 308187869 572912790 /nfs/dbraw/zinc/91/27/90/572912790.db2.gz LDQHDFNZQHRSHA-ZJUUUORDSA-N 0 0 182.311 2.560 10 30 AFEERN CC=CC(=O)[C@H](C)C=C/C=C/C 238002336 572912806 /nfs/dbraw/zinc/91/28/06/572912806.db2.gz MDMUYJBMDRPUAP-HDLRFIRPSA-N 0 0 164.248 2.900 10 30 AFEERN CCC[C@H](C#N)C(=O)c1cccs1 86314370 572913001 /nfs/dbraw/zinc/91/30/01/572913001.db2.gz KLMGBMDLPZHYAD-MRVPVSSYSA-N 0 0 193.271 2.871 10 30 AFEERN CCC[C@H](C#N)C(=O)C1CCCC1 86314344 572913179 /nfs/dbraw/zinc/91/31/79/572913179.db2.gz RWWONEUDHGBKST-SNVBAGLBSA-N 0 0 179.263 2.686 10 30 AFEERN CCC[C@@H](C#N)C(=O)[C@H](C)C(C)C 86314337 572913414 /nfs/dbraw/zinc/91/34/14/572913414.db2.gz XGCYQKXBOSUYHK-ZJUUUORDSA-N 0 0 181.279 2.787 10 30 AFEERN CCC[C@H](C#N)C(=O)[C@@H](C)C(C)C 86314336 572913430 /nfs/dbraw/zinc/91/34/30/572913430.db2.gz XGCYQKXBOSUYHK-VHSXEESVSA-N 0 0 181.279 2.787 10 30 AFEERN CCC[C@@H](C#N)C(=O)CC(C)(C)C 86314221 572913625 /nfs/dbraw/zinc/91/36/25/572913625.db2.gz BYWHHTXPGPILOV-VIFPVBQESA-N 0 0 181.279 2.932 10 30 AFEERN C=C(COc1ccccc1)N=[N+]=[N-] 238005438 572913669 /nfs/dbraw/zinc/91/36/69/572913669.db2.gz RZDIIEHNRKRXSB-UHFFFAOYSA-N 0 0 175.191 2.889 10 30 AFEERN CCC[C@@H](C#N)C(=O)[C@@H](C)C(C)C 86314335 572913843 /nfs/dbraw/zinc/91/38/43/572913843.db2.gz XGCYQKXBOSUYHK-UWVGGRQHSA-N 0 0 181.279 2.787 10 30 AFEERN CCC[C@@H](C#N)C(=O)c1occc1C 86314243 572913948 /nfs/dbraw/zinc/91/39/48/572913948.db2.gz LBOKNSSKHVGCRF-VIFPVBQESA-N 0 0 191.230 2.711 10 30 AFEERN CCC[C@H](C#N)C(=O)CC(C)(C)C 86314222 572914199 /nfs/dbraw/zinc/91/41/99/572914199.db2.gz BYWHHTXPGPILOV-SECBINFHSA-N 0 0 181.279 2.932 10 30 AFEERN CCCN[C@H](C#N)[C@@H](C)C(C)(C)C 308187866 572914209 /nfs/dbraw/zinc/91/42/09/572914209.db2.gz LDQHDFNZQHRSHA-NXEZZACHSA-N 0 0 182.311 2.560 10 30 AFEERN CCC[C@H](C#N)C(=O)CC(C)C 86314282 572914353 /nfs/dbraw/zinc/91/43/53/572914353.db2.gz OBWPFAIFEBULQN-SECBINFHSA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@@H](C#N)C(=O)CCC(C)C 86314443 572914454 /nfs/dbraw/zinc/91/44/54/572914454.db2.gz XPAFEGKQGLEVSI-JTQLQIEISA-N 0 0 181.279 2.932 10 30 AFEERN CCC[C@H](C#N)C(=O)CCC(C)C 86314444 572914460 /nfs/dbraw/zinc/91/44/60/572914460.db2.gz XPAFEGKQGLEVSI-SNVBAGLBSA-N 0 0 181.279 2.932 10 30 AFEERN CC#CCC/C=C(/C)C[C@@H](C)CO 238026753 572914466 /nfs/dbraw/zinc/91/44/66/572914466.db2.gz SWOTWIIKVPUHFE-NXIHDVOMSA-N 0 0 180.291 2.755 10 30 AFEERN CCC[C@H](C#N)C(=O)C(C)(C)C 86314412 572914483 /nfs/dbraw/zinc/91/44/83/572914483.db2.gz JDTZIXWIQOZMRW-MRVPVSSYSA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@@H](C#N)C(=O)C(C)(C)C 86314411 572914638 /nfs/dbraw/zinc/91/46/38/572914638.db2.gz JDTZIXWIQOZMRW-QMMMGPOBSA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@H](C)C(=O)[C@@H](C#N)CCC 86314424 572914664 /nfs/dbraw/zinc/91/46/64/572914664.db2.gz HEHVJOCHIGCAFB-VHSXEESVSA-N 0 0 181.279 2.932 10 30 AFEERN CC(C)c1ccc(C(=O)CS)cc1 57489540 572915135 /nfs/dbraw/zinc/91/51/35/572915135.db2.gz UWKIDRJUUDCCTA-UHFFFAOYSA-N 0 0 194.299 2.923 10 30 AFEERN Cc1cc(C(=O)CCS)ccc1F 57490440 572914722 /nfs/dbraw/zinc/91/47/22/572914722.db2.gz IJKQITNMCUKKRK-UHFFFAOYSA-N 0 0 198.262 2.637 10 30 AFEERN C#CCC/C(C)=C/CC(C)(C)CO 238038067 572915376 /nfs/dbraw/zinc/91/53/76/572915376.db2.gz VNCCQOVHPGXLQR-DHZHZOJOSA-N 0 0 180.291 2.755 10 30 AFEERN CCCCC(=O)[C@H](C#N)CCC 86314413 572914851 /nfs/dbraw/zinc/91/48/51/572914851.db2.gz HSMVFFSDSLAEEF-VIFPVBQESA-N 0 0 167.252 2.686 10 30 AFEERN CC#CCC/C=C(/C)C[C@H](C)CO 238026776 572914861 /nfs/dbraw/zinc/91/48/61/572914861.db2.gz SWOTWIIKVPUHFE-KGTBHZDVSA-N 0 0 180.291 2.755 10 30 AFEERN C=C[C@@H](/C=C(/C)c1ccccc1)CO 238023310 572914894 /nfs/dbraw/zinc/91/48/94/572914894.db2.gz YFADLZCSHKMRPU-MMRAYRKESA-N 0 0 188.270 2.884 10 30 AFEERN Cc1cc(C)c(C(=O)CS)c(C)c1 57489552 572914929 /nfs/dbraw/zinc/91/49/29/572914929.db2.gz JPXRPFUNPJLRFM-UHFFFAOYSA-N 0 0 194.299 2.724 10 30 AFEERN CCC[C@@H](C#N)C(=O)[C@H](C)CC 86314453 572914955 /nfs/dbraw/zinc/91/49/55/572914955.db2.gz HLFCHLBSRVVKFR-BDAKNGLRSA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@H](C#N)C(=O)[C@H](C)C(C)C 86314338 572915028 /nfs/dbraw/zinc/91/50/28/572915028.db2.gz XGCYQKXBOSUYHK-NXEZZACHSA-N 0 0 181.279 2.787 10 30 AFEERN Cc1ccc(C(=O)CCS)cc1C 57489543 572915149 /nfs/dbraw/zinc/91/51/49/572915149.db2.gz YTBPVSMRLDBQLC-UHFFFAOYSA-N 0 0 194.299 2.806 10 30 AFEERN Cc1ccc(C)c(C(=O)CCS)c1 57489546 572915150 /nfs/dbraw/zinc/91/51/50/572915150.db2.gz HPLXJCMQZFJOJV-UHFFFAOYSA-N 0 0 194.299 2.806 10 30 AFEERN CCC[C@@H](C#N)C(=O)c1cccs1 86314369 572915059 /nfs/dbraw/zinc/91/50/59/572915059.db2.gz KLMGBMDLPZHYAD-QMMMGPOBSA-N 0 0 193.271 2.871 10 30 AFEERN CCC[C@@H](C#N)C(=O)[C@@H](C)CC 86314451 572915067 /nfs/dbraw/zinc/91/50/67/572915067.db2.gz HLFCHLBSRVVKFR-IUCAKERBSA-N 0 0 167.252 2.541 10 30 AFEERN CCC[C@@H](C#N)C(=O)C(CC)CC 86314419 572915110 /nfs/dbraw/zinc/91/51/10/572915110.db2.gz FCFYAIALWFPXGZ-JTQLQIEISA-N 0 0 181.279 2.932 10 30 AFEERN C=C(C)[C@H](O)CC(C)(C)CC#CC 238026364 572915116 /nfs/dbraw/zinc/91/51/16/572915116.db2.gz HQSZRGHBSYQQJH-LLVKDONJSA-N 0 0 180.291 2.753 10 30 AFEERN C=C(CC)C[C@H](O)CCCC 86315090 572915269 /nfs/dbraw/zinc/91/52/69/572915269.db2.gz ISGVXJRKKIPAAL-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN C#C[C@H](O)[C@@H](/C(C)=C/C=C/C)C(C)C 237998852 572915279 /nfs/dbraw/zinc/91/52/79/572915279.db2.gz QFCJVADKQULYIK-DCNKEYDWSA-N 0 0 192.302 2.775 10 30 AFEERN C=CC(=O)C[C@H]1CCC[C@H]1C1CC1 238037697 572915529 /nfs/dbraw/zinc/91/55/29/572915529.db2.gz ZFSVSHHIAKEDIS-PWSUYJOCSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@H](O)/C(=C/C)[Si](C)(C)C 237988351 572915499 /nfs/dbraw/zinc/91/54/99/572915499.db2.gz UWQDUSFHZGHVFK-CBFJXKFUSA-N 0 0 184.355 2.747 10 30 AFEERN C=CC(=O)C[C@@H]1CCC[C@@H]1C1CC1 238037481 572915563 /nfs/dbraw/zinc/91/55/63/572915563.db2.gz ZFSVSHHIAKEDIS-CMPLNLGQSA-N 0 0 178.275 2.958 10 30 AFEERN CC(=O)C#Cc1ccc2occ(C)c2c1 238038551 572916370 /nfs/dbraw/zinc/91/63/70/572916370.db2.gz VCGOQLMBWMEYJF-UHFFFAOYSA-N 0 0 198.221 2.682 10 30 AFEERN C=CC[C@@H](O)/C(=C/C)[Si](C)(C)C 237988821 572917062 /nfs/dbraw/zinc/91/70/62/572917062.db2.gz UWQDUSFHZGHVFK-SBMLRHLQSA-N 0 0 184.355 2.747 10 30 AFEERN C=CC(C)C=C(C)C(=O)C=CC 237994854 572916589 /nfs/dbraw/zinc/91/65/89/572916589.db2.gz CAPJAFJRHKYPQH-CCYSRVFRSA-N 0 0 164.248 2.900 10 30 AFEERN C#CCC/C=C/[C@H](O)CCC(=C)C 238084127 572916699 /nfs/dbraw/zinc/91/66/99/572916699.db2.gz KKIJBYXVOSNLDM-GUOLPTJISA-N 0 0 178.275 2.673 10 30 AFEERN C=CC(C)C=C(C)C(=O)C=CC 237995186 572916793 /nfs/dbraw/zinc/91/67/93/572916793.db2.gz CAPJAFJRHKYPQH-QTIKWAGGSA-N 0 0 164.248 2.900 10 30 AFEERN C#CC/C=C(\C)CC/C=C(\C)CO 238043521 572916913 /nfs/dbraw/zinc/91/69/13/572916913.db2.gz YAKHRPLGMZQDJN-HNWKWBPYSA-N 0 0 178.275 2.675 10 30 AFEERN C=CC1=C(C(=O)C=CC)CCC1 238045478 572916999 /nfs/dbraw/zinc/91/69/99/572916999.db2.gz MGLNCUYZJWWMKO-UHFFFAOYSA-N 0 0 162.232 2.798 10 30 AFEERN CC#CC[C@@H](C=O)C/C=C/C(C)C 238037071 572917474 /nfs/dbraw/zinc/91/74/74/572917474.db2.gz NDOUJUBKXHUEAC-NNNHXZLVSA-N 0 0 178.275 2.817 10 30 AFEERN C=CC(=O)C[C@@H]1CCC[C@H]1C1CC1 238037515 572917366 /nfs/dbraw/zinc/91/73/66/572917366.db2.gz ZFSVSHHIAKEDIS-JQWIXIFHSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC(=O)C[C@H]1CCC[C@@H]1C1CC1 238037666 572917440 /nfs/dbraw/zinc/91/74/40/572917440.db2.gz ZFSVSHHIAKEDIS-ZYHUDNBSSA-N 0 0 178.275 2.958 10 30 AFEERN C#C[C@@H](O)/C=C(/C(=C)C)c1ccccc1 238054827 572918840 /nfs/dbraw/zinc/91/88/40/572918840.db2.gz DKVQFCZBLVBJLO-JFBXQDQPSA-N 0 0 198.265 2.640 10 30 AFEERN N#CC1(CCC[C@@H]2CCCO2)CC1 308188586 572917449 /nfs/dbraw/zinc/91/74/49/572917449.db2.gz LSHVSUWAKINIAM-SNVBAGLBSA-N 0 0 179.263 2.639 10 30 AFEERN CC#C[C@H](CCCO)c1ccccc1 238046867 572917567 /nfs/dbraw/zinc/91/75/67/572917567.db2.gz VLIHLFNYUODAIR-GFCCVEGCSA-N 0 0 188.270 2.566 10 30 AFEERN C=CCC(=O)NCCC1=CCCCC1 238046143 572917674 /nfs/dbraw/zinc/91/76/74/572917674.db2.gz PACNSGBUMPFQMQ-UHFFFAOYSA-N 0 0 193.290 2.569 10 30 AFEERN C=C[C@H](C)[C@H](O)/C(=C/C)[Si](C)(C)C 237988442 572917676 /nfs/dbraw/zinc/91/76/76/572917676.db2.gz ODOLSAZCQNNILJ-SMQKJXJPSA-N 0 0 198.382 2.993 10 30 AFEERN C=CCC(=O)C[C@H]1CC=CCC1 238045735 572917729 /nfs/dbraw/zinc/91/77/29/572917729.db2.gz KYZXLTAEZKUNGF-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C=CCC(=O)C[C@@H]1CC=CCC1 238045806 572917788 /nfs/dbraw/zinc/91/77/88/572917788.db2.gz KYZXLTAEZKUNGF-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C=CC/C(C)=C\[C@@H](O)c1ccco1 238037936 572917793 /nfs/dbraw/zinc/91/77/93/572917793.db2.gz FCHQQWQTAWJATR-HSTULFTRSA-N 0 0 178.231 2.835 10 30 AFEERN CCC[C@H](C#N)[C@H](O)C(CC)CC 86327156 572920095 /nfs/dbraw/zinc/92/00/95/572920095.db2.gz WBKIMRCNTSCSBH-GHMZBOCLSA-N 0 0 183.295 2.723 10 30 AFEERN C=CCCNC(=S)c1ccccc1 238058458 572918051 /nfs/dbraw/zinc/91/80/51/572918051.db2.gz KPXSVSICCBIYFV-UHFFFAOYSA-N 0 0 191.299 2.528 10 30 AFEERN C=CC[C@@H](CO)CC(=C)C(=C)C 238058544 572918072 /nfs/dbraw/zinc/91/80/72/572918072.db2.gz LWBVRJSJUGFRAM-LLVKDONJSA-N 0 0 166.264 2.693 10 30 AFEERN C=C[C@H](C=C(C)C)[C@@H](O)/C=C/C 238058908 572918103 /nfs/dbraw/zinc/91/81/03/572918103.db2.gz QXOPHVYSCRMXRL-HQVCXTMKSA-N 0 0 166.264 2.692 10 30 AFEERN C=CCCC[C@@H]1C[C@H]2C(=O)CC[C@@H]12 238056171 572918156 /nfs/dbraw/zinc/91/81/56/572918156.db2.gz NQOSORXOPFETRC-OUAUKWLOSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCC[C@@H]1C[C@@H]2C(=O)CC[C@H]21 238056232 572918173 /nfs/dbraw/zinc/91/81/73/572918173.db2.gz NQOSORXOPFETRC-VWYCJHECSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)/C=C\I 116702517 572918226 /nfs/dbraw/zinc/91/82/26/572918226.db2.gz SITPFRKCUNPPLZ-ARJAWSKDSA-N 0 0 194.015 2.511 10 30 AFEERN C=C[C@](C)(O)Cc1ccc(Cl)cc1 235406059 572918262 /nfs/dbraw/zinc/91/82/62/572918262.db2.gz BAJDYYXZAMLSRP-NSHDSACASA-N 0 0 196.677 2.820 10 30 AFEERN CCCCc1nc(CC#N)cs1 86324126 572918434 /nfs/dbraw/zinc/91/84/34/572918434.db2.gz DZEPGAPLKUHUQC-UHFFFAOYSA-N 0 0 180.276 2.552 10 30 AFEERN C=CCCCC[C@@H]1CCCCNC1=O 238053923 572918436 /nfs/dbraw/zinc/91/84/36/572918436.db2.gz ZLPZZGQKGZZFHU-LLVKDONJSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCC[C@@H]1CCCC[C@@H]1C=O 238060792 572918488 /nfs/dbraw/zinc/91/84/88/572918488.db2.gz DZLIHVXHACCNQB-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCCCC(=O)CC=C 238052141 572918529 /nfs/dbraw/zinc/91/85/29/572918529.db2.gz BBPXOXADVXWBAW-UHFFFAOYSA-N 0 0 152.237 2.878 10 30 AFEERN C=CCC[C@H]1CCCC[C@@H]1C=O 238063110 572918616 /nfs/dbraw/zinc/91/86/16/572918616.db2.gz DZLIHVXHACCNQB-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCC[C@@]1(C#N)CCCC1=O 308189914 572918678 /nfs/dbraw/zinc/91/86/78/572918678.db2.gz MVYHFTRUYVGLAW-NSHDSACASA-N 0 0 177.247 2.606 10 30 AFEERN C#C[C@H](O)/C=C(/C(=C)C)c1ccccc1 238054793 572918711 /nfs/dbraw/zinc/91/87/11/572918711.db2.gz DKVQFCZBLVBJLO-ODUNQGDFSA-N 0 0 198.265 2.640 10 30 AFEERN C=CCCCCC[C@H]1CC(=O)C=CN1 238053153 572918741 /nfs/dbraw/zinc/91/87/41/572918741.db2.gz VELODQXTHNPMGE-NSHDSACASA-N 0 0 193.290 2.568 10 30 AFEERN C=CCCC[C@@H]1C[C@@H]2CCC(=O)[C@H]21 238056125 572918805 /nfs/dbraw/zinc/91/88/05/572918805.db2.gz NCCCPXXTYVDZTR-SCVCMEIPSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCCC[C@H]1CCCCNC1=O 238054343 572918814 /nfs/dbraw/zinc/91/88/14/572918814.db2.gz ZLPZZGQKGZZFHU-NSHDSACASA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCCCCC#CC=O 238052437 572918860 /nfs/dbraw/zinc/91/88/60/572918860.db2.gz CGNLVBWWUDEENW-UHFFFAOYSA-N 0 0 164.248 2.715 10 30 AFEERN C#CCCC(=O)C(C(C)C)C(C)C 308189762 572918949 /nfs/dbraw/zinc/91/89/49/572918949.db2.gz MUSGUQLUBOTVFI-UHFFFAOYSA-N 0 0 180.291 2.897 10 30 AFEERN C=CCC[C@@]1(C=C)CCCC1=O 238062282 572918980 /nfs/dbraw/zinc/91/89/80/572918980.db2.gz WONADFWTSAIKQM-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CCC[C@H](C#N)[C@]1(O)CC[C@H](CC)C1 86327876 572920279 /nfs/dbraw/zinc/92/02/79/572920279.db2.gz IOXAJUWSPAKLAG-TUAOUCFPSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCC[C@]1(C#N)CCCC1=O 308189912 572920280 /nfs/dbraw/zinc/92/02/80/572920280.db2.gz MVYHFTRUYVGLAW-LLVKDONJSA-N 0 0 177.247 2.606 10 30 AFEERN C=CCCCC[C@@H]1CCOC1 238054068 572919048 /nfs/dbraw/zinc/91/90/48/572919048.db2.gz YUMDBJSILRVJMV-SNVBAGLBSA-N 0 0 154.253 2.769 10 30 AFEERN C=CCCc1ncccc1C=C 238064786 572919201 /nfs/dbraw/zinc/91/92/01/572919201.db2.gz BPEBSTSLZSTWSC-UHFFFAOYSA-N 0 0 159.232 2.843 10 30 AFEERN C=CCC[C@]1(CCC=O)CCC(=O)C1 238064213 572919224 /nfs/dbraw/zinc/91/92/24/572919224.db2.gz LQDVSKFSBIUSIG-LBPRGKRZSA-N 0 0 194.274 2.671 10 30 AFEERN C=CCC(C)(CC=C)C(C)=O 238050737 572919240 /nfs/dbraw/zinc/91/92/40/572919240.db2.gz YMOWCLSZSCWFDS-UHFFFAOYSA-N 0 0 152.237 2.734 10 30 AFEERN C=CCCC[C@@H]1C[C@H]2CCC(=O)[C@@H]12 238056201 572919265 /nfs/dbraw/zinc/91/92/65/572919265.db2.gz NCCCPXXTYVDZTR-FOGDFJRCSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCC[C@H]1CCC(=O)C1=C 238056714 572919406 /nfs/dbraw/zinc/91/94/06/572919406.db2.gz ZFYLHXLUHJLIKR-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C=CCCC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2 238050183 572919412 /nfs/dbraw/zinc/91/94/12/572919412.db2.gz AZAUPGAGFWOWNI-AXFHLTTASA-N 0 0 176.259 2.734 10 30 AFEERN C=CCCSc1ncc(C=O)s1 238060106 572919531 /nfs/dbraw/zinc/91/95/31/572919531.db2.gz IZBACPLHJOBGBH-UHFFFAOYSA-N 0 0 199.300 2.624 10 30 AFEERN C=CCCc1cccc(CC#N)c1 238064599 572919437 /nfs/dbraw/zinc/91/94/37/572919437.db2.gz OPJIUTLMFDSYFV-UHFFFAOYSA-N 0 0 171.243 2.871 10 30 AFEERN CC(=O)C1=Cc2c[nH]c3cccc(c23)C1 238067215 572919453 /nfs/dbraw/zinc/91/94/53/572919453.db2.gz YMGHAGZJFLAYIM-UHFFFAOYSA-N 0 0 197.237 2.696 10 30 AFEERN CC(=O)C1=C[C@@](C)(CCCC=O)CC1 238066526 572919474 /nfs/dbraw/zinc/91/94/74/572919474.db2.gz KGADHQJFDKZICE-LBPRGKRZSA-N 0 0 194.274 2.671 10 30 AFEERN C=CCCC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2 238050024 572919524 /nfs/dbraw/zinc/91/95/24/572919524.db2.gz AZAUPGAGFWOWNI-HBNTYKKESA-N 0 0 176.259 2.734 10 30 AFEERN C=CCC[C@]1(C=C)CCCC1=O 238064151 572919661 /nfs/dbraw/zinc/91/96/61/572919661.db2.gz WONADFWTSAIKQM-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CC(=O)C1=C[C@](C)(CCCC=O)CC1 238067100 572919691 /nfs/dbraw/zinc/91/96/91/572919691.db2.gz KGADHQJFDKZICE-GFCCVEGCSA-N 0 0 194.274 2.671 10 30 AFEERN C=C[C@H](CC=O)CC(C)(C)C 238067145 572919716 /nfs/dbraw/zinc/91/97/16/572919716.db2.gz QCYVCRNINVAYTK-SECBINFHSA-N 0 0 154.253 2.814 10 30 AFEERN C=CCC[C@@]1(CCC=O)CCC(=O)C1 238062379 572919756 /nfs/dbraw/zinc/91/97/56/572919756.db2.gz LQDVSKFSBIUSIG-GFCCVEGCSA-N 0 0 194.274 2.671 10 30 AFEERN C=CCCCCn1cccc1C=O 238054576 572919808 /nfs/dbraw/zinc/91/98/08/572919808.db2.gz FZUAWCYMGWBSIF-UHFFFAOYSA-N 0 0 177.247 2.657 10 30 AFEERN CCC[C@H](C#N)[C@H](O)c1ccsc1 86326891 572919826 /nfs/dbraw/zinc/91/98/26/572919826.db2.gz OGVPZJXQUIEEQN-SCZZXKLOSA-N 0 0 195.287 2.721 10 30 AFEERN CCC[C@H](C#N)[C@H](O)CC(C)(C)C 86327700 572919833 /nfs/dbraw/zinc/91/98/33/572919833.db2.gz VXLGSTWCAJNMDV-NXEZZACHSA-N 0 0 183.295 2.723 10 30 AFEERN C=CCC[C@@H]1CCCC[C@H]1C=O 238060822 572919852 /nfs/dbraw/zinc/91/98/52/572919852.db2.gz DZLIHVXHACCNQB-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCC[C@@H]1CCC(=O)C1=C 238055634 572919896 /nfs/dbraw/zinc/91/98/96/572919896.db2.gz ZFYLHXLUHJLIKR-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN C=CCCCC#CC#CCCCC=O 238051304 572919925 /nfs/dbraw/zinc/91/99/25/572919925.db2.gz JOPYXTZOVVURQP-UHFFFAOYSA-N 0 0 188.270 2.719 10 30 AFEERN CCC[C@H](C#N)[C@H](O)c1ccc(C)o1 86326815 572919929 /nfs/dbraw/zinc/91/99/29/572919929.db2.gz XUCFZVUTSQRCET-KOLCDFICSA-N 0 0 193.246 2.561 10 30 AFEERN C=CCC[C@H]1CCCC[C@H]1C=O 238063139 572919976 /nfs/dbraw/zinc/91/99/76/572919976.db2.gz DZLIHVXHACCNQB-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)CC(C)(C)C 86327707 572920050 /nfs/dbraw/zinc/92/00/50/572920050.db2.gz VXLGSTWCAJNMDV-ZJUUUORDSA-N 0 0 183.295 2.723 10 30 AFEERN C=CCCCC[C@H]1CCOC1 238054441 572920089 /nfs/dbraw/zinc/92/00/89/572920089.db2.gz YUMDBJSILRVJMV-JTQLQIEISA-N 0 0 154.253 2.769 10 30 AFEERN CCC[C@@H](C#N)[C@@](O)(CC)C(C)C 86326605 572920183 /nfs/dbraw/zinc/92/01/83/572920183.db2.gz AZCSCWIBTSVPNN-WDEREUQCSA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@@H](C#N)[C@H](O)CC(C)(C)C 86327697 572920320 /nfs/dbraw/zinc/92/03/20/572920320.db2.gz VXLGSTWCAJNMDV-VHSXEESVSA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)c1cccs1 86326948 572920134 /nfs/dbraw/zinc/92/01/34/572920134.db2.gz CHNOMLQOVDKAJA-PSASIEDQSA-N 0 0 195.287 2.721 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)[C@H]1CC=CCC1 86327567 572920137 /nfs/dbraw/zinc/92/01/37/572920137.db2.gz PVCAOBMLBQELJN-TUAOUCFPSA-N 0 0 193.290 2.643 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)C(CC)CC 86327164 572920146 /nfs/dbraw/zinc/92/01/46/572920146.db2.gz WBKIMRCNTSCSBH-MNOVXSKESA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@@H](C#N)[C@@H](O)CC(C)(C)C 86327703 572920237 /nfs/dbraw/zinc/92/02/37/572920237.db2.gz VXLGSTWCAJNMDV-UWVGGRQHSA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)C1CCCCC1 86327217 572920242 /nfs/dbraw/zinc/92/02/42/572920242.db2.gz LKHFFHDEADKEQA-NEPJUHHUSA-N 0 0 195.306 2.867 10 30 AFEERN CCC[C@H](C#N)[C@](O)(CC)C(C)C 86326613 572920397 /nfs/dbraw/zinc/92/03/97/572920397.db2.gz AZCSCWIBTSVPNN-MNOVXSKESA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@H](C#N)[C@@]1(O)CC[C@H](CC)C1 86327881 572920404 /nfs/dbraw/zinc/92/04/04/572920404.db2.gz IOXAJUWSPAKLAG-QJPTWQEYSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@@H](O)C(C)(C)CCC(=C)C 238079356 572920405 /nfs/dbraw/zinc/92/04/05/572920405.db2.gz ALILFZDDVLPIPK-SNVBAGLBSA-N 0 0 168.280 2.916 10 30 AFEERN CCC[C@@H](C#N)[C@@H](O)C1CCCCC1 86327214 572920477 /nfs/dbraw/zinc/92/04/77/572920477.db2.gz LKHFFHDEADKEQA-RYUDHWBXSA-N 0 0 195.306 2.867 10 30 AFEERN CCCCC[C@@H](O)[C@H](C#N)CCC 86327689 572920493 /nfs/dbraw/zinc/92/04/93/572920493.db2.gz RGMCCNYMEZRGSA-WDEREUQCSA-N 0 0 183.295 2.867 10 30 AFEERN C#CCC[C@H](O)C(C(C)C)C(C)C 308190041 572920524 /nfs/dbraw/zinc/92/05/24/572920524.db2.gz MYSOCZUMHMNXHH-NSHDSACASA-N 0 0 182.307 2.689 10 30 AFEERN C=CC[C@@H](O)C1=C(C(=C)C)CCC1 238072435 572920525 /nfs/dbraw/zinc/92/05/25/572920525.db2.gz VMPBMLASKXGXKW-GFCCVEGCSA-N 0 0 178.275 2.980 10 30 AFEERN CCC[C@@H](C#N)[C@H](O)c1ccc(C)o1 86326811 572920561 /nfs/dbraw/zinc/92/05/61/572920561.db2.gz XUCFZVUTSQRCET-ONGXEEELSA-N 0 0 193.246 2.561 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)c1ccc(C)o1 86326819 572920717 /nfs/dbraw/zinc/92/07/17/572920717.db2.gz XUCFZVUTSQRCET-MWLCHTKSSA-N 0 0 193.246 2.561 10 30 AFEERN CCC[C@@H](C#N)[C@H](O)C1CCCCC1 86327208 572920728 /nfs/dbraw/zinc/92/07/28/572920728.db2.gz LKHFFHDEADKEQA-NWDGAFQWSA-N 0 0 195.306 2.867 10 30 AFEERN C=C(C)CC/C(C)=C/CCO 238079414 572920750 /nfs/dbraw/zinc/92/07/50/572920750.db2.gz WXUOKHMTRIHTMU-BJMVGYQFSA-N 0 0 154.253 2.671 10 30 AFEERN CCCCC[C@H](O)[C@H](C#N)CCC 86327687 572920753 /nfs/dbraw/zinc/92/07/53/572920753.db2.gz RGMCCNYMEZRGSA-QWRGUYRKSA-N 0 0 183.295 2.867 10 30 AFEERN CCCCC[C@@H](O)[C@@H](C#N)CCC 86327695 572920805 /nfs/dbraw/zinc/92/08/05/572920805.db2.gz RGMCCNYMEZRGSA-GHMZBOCLSA-N 0 0 183.295 2.867 10 30 AFEERN CCC[C@@H](C#N)[C@](O)(CC)C(C)C 86326610 572920821 /nfs/dbraw/zinc/92/08/21/572920821.db2.gz AZCSCWIBTSVPNN-QWRGUYRKSA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@H](C)[C@H](O)[C@H](C#N)CCC 86327665 572920864 /nfs/dbraw/zinc/92/08/64/572920864.db2.gz MLGYHIAZCHIQIY-DCAQKATOSA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@H](C#N)[C@H](O)C1CCCCC1 86327211 572920869 /nfs/dbraw/zinc/92/08/69/572920869.db2.gz LKHFFHDEADKEQA-VXGBXAGGSA-N 0 0 195.306 2.867 10 30 AFEERN CCC[C@H](C#N)[C@@](C)(O)[C@@H](C)CC 86326603 572920910 /nfs/dbraw/zinc/92/09/10/572920910.db2.gz LTJSRLHALNHXHP-AXFHLTTASA-N 0 0 183.295 2.723 10 30 AFEERN C/C=C1\C(=O)C[C@H](C)C[C@H]1C 238075087 572920914 /nfs/dbraw/zinc/92/09/14/572920914.db2.gz GANLPCFIHPXJAG-CPOAVOENSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](O)C1=C(C(=C)C)CCC1 238072324 572920931 /nfs/dbraw/zinc/92/09/31/572920931.db2.gz VMPBMLASKXGXKW-LBPRGKRZSA-N 0 0 178.275 2.980 10 30 AFEERN CCC[C@@H](C#N)[C@@H](O)c1ccc(C)o1 86326817 572920944 /nfs/dbraw/zinc/92/09/44/572920944.db2.gz XUCFZVUTSQRCET-GXSJLCMTSA-N 0 0 193.246 2.561 10 30 AFEERN C/C=C1\C(=O)C[C@@H](C)C[C@H]1C 238075141 572920946 /nfs/dbraw/zinc/92/09/46/572920946.db2.gz GANLPCFIHPXJAG-BGOJFUJCSA-N 0 0 152.237 2.568 10 30 AFEERN CCC[C@@H](C#N)[C@H](O)C(CC)CC 86327153 572921030 /nfs/dbraw/zinc/92/10/30/572921030.db2.gz WBKIMRCNTSCSBH-WDEREUQCSA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@H](C#N)[C@](C)(O)[C@@H](C)CC 86326599 572921144 /nfs/dbraw/zinc/92/11/44/572921144.db2.gz LTJSRLHALNHXHP-HBNTYKKESA-N 0 0 183.295 2.723 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)c1ccsc1 86326895 572921154 /nfs/dbraw/zinc/92/11/54/572921154.db2.gz OGVPZJXQUIEEQN-PSASIEDQSA-N 0 0 195.287 2.721 10 30 AFEERN CCC[C@H](C#N)[C@H](O)[C@H]1CC=CCC1 86327561 572921255 /nfs/dbraw/zinc/92/12/55/572921255.db2.gz PVCAOBMLBQELJN-QJPTWQEYSA-N 0 0 193.290 2.643 10 30 AFEERN CCC[C@]1(CC)CCC[C@H](C=O)O1 308192976 572921262 /nfs/dbraw/zinc/92/12/62/572921262.db2.gz KVKJZSCGPUAYNW-GHMZBOCLSA-N 0 0 184.279 2.703 10 30 AFEERN C=CCN[C@H](C#N)CC1=CCCCC1 238073798 572921268 /nfs/dbraw/zinc/92/12/68/572921268.db2.gz JROWBQXYHAPPNS-LBPRGKRZSA-N 0 0 190.290 2.545 10 30 AFEERN CCC[C@@H](C#N)[C@@H](O)c1cccs1 86326946 572921293 /nfs/dbraw/zinc/92/12/93/572921293.db2.gz CHNOMLQOVDKAJA-WCBMZHEXSA-N 0 0 195.287 2.721 10 30 AFEERN CC(=O)C1=CCc2[nH]c3ccccc3c21 238072897 572921298 /nfs/dbraw/zinc/92/12/98/572921298.db2.gz UVVOQWBGZNERJF-UHFFFAOYSA-N 0 0 197.237 2.696 10 30 AFEERN CCC[C@H](C#N)[C@H](O)c1cccs1 86326942 572921329 /nfs/dbraw/zinc/92/13/29/572921329.db2.gz CHNOMLQOVDKAJA-SCZZXKLOSA-N 0 0 195.287 2.721 10 30 AFEERN C=CC[C@@]12CC=CC[C@@H]1CCC2=O 196700836 572921338 /nfs/dbraw/zinc/92/13/38/572921338.db2.gz NFUBOILVUOQFNY-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)CCCC(C)(C)NC(C)=O 238080329 572921346 /nfs/dbraw/zinc/92/13/46/572921346.db2.gz MHMBCXPRCNQWCQ-UHFFFAOYSA-N 0 0 183.295 2.648 10 30 AFEERN CCC[C@@H](C#N)[C@@H](O)C(CC)CC 86327161 572921347 /nfs/dbraw/zinc/92/13/47/572921347.db2.gz WBKIMRCNTSCSBH-QWRGUYRKSA-N 0 0 183.295 2.723 10 30 AFEERN C/C=C1\C(=O)C[C@H](C)C[C@@H]1C 238073056 572921371 /nfs/dbraw/zinc/92/13/71/572921371.db2.gz GANLPCFIHPXJAG-UGYAENKVSA-N 0 0 152.237 2.568 10 30 AFEERN CCC[C@@H](C#N)[C@H](O)c1cccs1 86326939 572921458 /nfs/dbraw/zinc/92/14/58/572921458.db2.gz CHNOMLQOVDKAJA-WPRPVWTQSA-N 0 0 195.287 2.721 10 30 AFEERN CCC[C@H](C#N)[C@@](O)(CC)C(C)C 86326607 572921451 /nfs/dbraw/zinc/92/14/51/572921451.db2.gz AZCSCWIBTSVPNN-GHMZBOCLSA-N 0 0 183.295 2.723 10 30 AFEERN C=C(C)CCC(=O)[C@@H]1[C@@H]2C=CC[C@@H]21 238079232 572921456 /nfs/dbraw/zinc/92/14/56/572921456.db2.gz MMYCBSFQVSPLKO-JFGNBEQYSA-N 0 0 176.259 2.734 10 30 AFEERN C=C[C@@H](CC=O)CC(C)(C)C 238077588 572921519 /nfs/dbraw/zinc/92/15/19/572921519.db2.gz QCYVCRNINVAYTK-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN CCC[C@@H](C#N)[C@@H](O)c1ccsc1 86326893 572921531 /nfs/dbraw/zinc/92/15/31/572921531.db2.gz OGVPZJXQUIEEQN-WCBMZHEXSA-N 0 0 195.287 2.721 10 30 AFEERN CCCCC[C@H](O)[C@@H](C#N)CCC 86327692 572921551 /nfs/dbraw/zinc/92/15/51/572921551.db2.gz RGMCCNYMEZRGSA-MNOVXSKESA-N 0 0 183.295 2.867 10 30 AFEERN C=CC[C@]12CC=CC[C@@H]1CCC2=O 196700844 572921602 /nfs/dbraw/zinc/92/16/02/572921602.db2.gz NFUBOILVUOQFNY-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN CCC[C@H](C)[C@@H](O)[C@H](C#N)CCC 86327670 572921623 /nfs/dbraw/zinc/92/16/23/572921623.db2.gz MLGYHIAZCHIQIY-GARJFASQSA-N 0 0 183.295 2.723 10 30 AFEERN C=CCC[C@H]1CCC[C@@H]1C(C)=O 238075481 572921635 /nfs/dbraw/zinc/92/16/35/572921635.db2.gz RJCGCPIOWDIXGA-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@]12CC=CC[C@H]1CCC2=O 196700861 572921735 /nfs/dbraw/zinc/92/17/35/572921735.db2.gz NFUBOILVUOQFNY-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN O=CCC[C@H]1CCCCCCC1=O 196703516 572921742 /nfs/dbraw/zinc/92/17/42/572921742.db2.gz SYGPKMFGCZYZDT-SNVBAGLBSA-N 0 0 182.263 2.505 10 30 AFEERN C/C=C1\C(=O)C[C@@H](C)C[C@@H]1C 238073111 572921763 /nfs/dbraw/zinc/92/17/63/572921763.db2.gz GANLPCFIHPXJAG-JWANAOKFSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)CCCC#CCCC=O 238079895 572921769 /nfs/dbraw/zinc/92/17/69/572921769.db2.gz GGEPVBDLFUKODJ-UHFFFAOYSA-N 0 0 164.248 2.715 10 30 AFEERN C=C(C)CC(=O)CC1CC=CC1 238075602 572921875 /nfs/dbraw/zinc/92/18/75/572921875.db2.gz OLSXZAHYCOSJCF-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN C=C(C)CC(=O)[C@H](C#N)C(C)(C)C 238076376 572921972 /nfs/dbraw/zinc/92/19/72/572921972.db2.gz MMQNFNPBNVLVGO-VIFPVBQESA-N 0 0 179.263 2.708 10 30 AFEERN C=C(C)CCCC#CCCCO 238079934 572922141 /nfs/dbraw/zinc/92/21/41/572922141.db2.gz GRKWUNIIOPQNFF-UHFFFAOYSA-N 0 0 166.264 2.509 10 30 AFEERN C=CCC[C@@H]1CCC[C@@H]1C(C)=O 238076189 572922326 /nfs/dbraw/zinc/92/23/26/572922326.db2.gz RJCGCPIOWDIXGA-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(C)(C)CC(C)(C)C1=O 196703784 572922334 /nfs/dbraw/zinc/92/23/34/572922334.db2.gz VVUBFHOENAAMIW-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(Cl)C[NH2+][C@H]1CC[C@H](C2CC2)C1 308194635 572923423 /nfs/dbraw/zinc/92/34/23/572923423.db2.gz RDFDGGQAOJBPQO-QWRGUYRKSA-N 0 0 199.725 2.907 10 30 AFEERN C=C(C)CC(=O)C[C@H]1C=CCC1 238075848 572922460 /nfs/dbraw/zinc/92/24/60/572922460.db2.gz LHWCPGQOSGSWGQ-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN O=CCC[C@@H]1CCCCCCC1=O 196703506 572922512 /nfs/dbraw/zinc/92/25/12/572922512.db2.gz SYGPKMFGCZYZDT-JTQLQIEISA-N 0 0 182.263 2.505 10 30 AFEERN C=C(C)CC1(CC(=C)C)CCC(=O)N1 238077805 572922515 /nfs/dbraw/zinc/92/25/15/572922515.db2.gz VZYOGTZCJQVIGH-UHFFFAOYSA-N 0 0 193.290 2.568 10 30 AFEERN C=CCN[C@@H](C#N)CC1=CCCCC1 238074678 572922613 /nfs/dbraw/zinc/92/26/13/572922613.db2.gz JROWBQXYHAPPNS-GFCCVEGCSA-N 0 0 190.290 2.545 10 30 AFEERN C=C(C)CC(=O)C[C@@H]1C=CCC1 238075952 572922722 /nfs/dbraw/zinc/92/27/22/572922722.db2.gz LHWCPGQOSGSWGQ-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN CC1=C[C@@H](C(C)(C)C)CC1=O 196707284 572923009 /nfs/dbraw/zinc/92/30/09/572923009.db2.gz SGKJUEOLHHPZJP-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C\CSc1ccc(C#N)cn1 308193808 572923183 /nfs/dbraw/zinc/92/31/83/572923183.db2.gz PKLZYCNWPHVTMO-IHWYPQMZSA-N 0 0 190.271 2.621 10 30 AFEERN C=CC[C@@H](O)CCCC(=C)C 238081353 572923190 /nfs/dbraw/zinc/92/31/90/572923190.db2.gz FPCQRQZWIJUBCV-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN CC[C@H](C#N)N(CC)CC(C)(C)C 308193408 572923212 /nfs/dbraw/zinc/92/32/12/572923212.db2.gz LARCIFRJBCDUSE-SNVBAGLBSA-N 0 0 182.311 2.657 10 30 AFEERN CC1=C[C@H](C(C)(C)C)CC1=O 196707275 572923228 /nfs/dbraw/zinc/92/32/28/572923228.db2.gz SGKJUEOLHHPZJP-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(Cl)C[NH2+][C@H]1CC[C@@H](C2CC2)C1 308194634 572923229 /nfs/dbraw/zinc/92/32/29/572923229.db2.gz RDFDGGQAOJBPQO-MNOVXSKESA-N 0 0 199.725 2.907 10 30 AFEERN C=C(Cl)C[NH2+][C@@H]1CC[C@@H](C2CC2)C1 308194633 572923406 /nfs/dbraw/zinc/92/34/06/572923406.db2.gz RDFDGGQAOJBPQO-GHMZBOCLSA-N 0 0 199.725 2.907 10 30 AFEERN C=C(C)CC[C@](C)(CC=O)C(C)=O 238086150 572923670 /nfs/dbraw/zinc/92/36/70/572923670.db2.gz NZNWGDSVOBWSNX-LLVKDONJSA-N 0 0 182.263 2.527 10 30 AFEERN C=CC[C@@H]1CC=CCCCC1=O 238086510 572923608 /nfs/dbraw/zinc/92/36/08/572923608.db2.gz YAMZDMKYBFKSHG-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN N#CC1(CCOC(F)(F)F)CCC1 308194736 572923804 /nfs/dbraw/zinc/92/38/04/572923804.db2.gz QBYQHXCMLRXISJ-UHFFFAOYSA-N 0 0 193.168 2.607 10 30 AFEERN CC(=O)[C@@](C)(C#N)CCCCCF 308194031 572923862 /nfs/dbraw/zinc/92/38/62/572923862.db2.gz PPVTWMQMSYQPOD-SNVBAGLBSA-N 0 0 185.242 2.635 10 30 AFEERN C#Cc1cc(C=O)c2cccccc1-2 141189845 572923877 /nfs/dbraw/zinc/92/38/77/572923877.db2.gz AGHMKEGCYNZSFU-UHFFFAOYSA-N 0 0 180.206 2.585 10 30 AFEERN CC(=O)[C@](C)(C#N)CCCCCF 308194030 572924149 /nfs/dbraw/zinc/92/41/49/572924149.db2.gz PPVTWMQMSYQPOD-JTQLQIEISA-N 0 0 185.242 2.635 10 30 AFEERN N#CCOc1cccc2sccc12 141142834 572924178 /nfs/dbraw/zinc/92/41/78/572924178.db2.gz ZDLWKAZGGPCXCV-UHFFFAOYSA-N 0 0 189.239 2.804 10 30 AFEERN C=C(C)CC[C@@H](O)C1=CCCC1 238083878 572924308 /nfs/dbraw/zinc/92/43/08/572924308.db2.gz DNYRHVSAZHKSCJ-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN C=CCCC#C[C@H](O)CCC(=C)C 238083642 572925148 /nfs/dbraw/zinc/92/51/48/572925148.db2.gz SWNWJCJLPOGUJC-LBPRGKRZSA-N 0 0 178.275 2.673 10 30 AFEERN CC[C@@H](C#N)N(CC)CC(C)(C)C 308193407 572924470 /nfs/dbraw/zinc/92/44/70/572924470.db2.gz LARCIFRJBCDUSE-JTQLQIEISA-N 0 0 182.311 2.657 10 30 AFEERN C=C(C)CC[C@H](O)[C@@H]1[C@@H]2C=CC[C@@H]21 238085707 572924519 /nfs/dbraw/zinc/92/45/19/572924519.db2.gz VXOQWNDNUHLTQW-NOOOWODRSA-N 0 0 178.275 2.526 10 30 AFEERN C=CC[C@@H]1C(=S)NC=C[C@H]1CC=C 238086188 572924610 /nfs/dbraw/zinc/92/46/10/572924610.db2.gz IABMWDBBVGZLNG-ZJUUUORDSA-N 0 0 193.315 2.815 10 30 AFEERN C#CCCCC[C@H](O)CCC(=C)C 238083957 572924622 /nfs/dbraw/zinc/92/46/22/572924622.db2.gz OWIPMPUAXMNONK-LBPRGKRZSA-N 0 0 180.291 2.897 10 30 AFEERN C=C1[C@@H]2CCCCC[C@@H]12 141112166 572924645 /nfs/dbraw/zinc/92/46/45/572924645.db2.gz MUDRFXBMCDULFP-IUCAKERBSA-N 0 0 122.211 2.753 10 30 AFEERN C=CCCC#C[C@@H](O)CCC(=C)C 238085322 572925274 /nfs/dbraw/zinc/92/52/74/572925274.db2.gz SWNWJCJLPOGUJC-GFCCVEGCSA-N 0 0 178.275 2.673 10 30 AFEERN C=CC[C@@H]1C=CNC(=S)[C@@H]1CC=C 238086158 572925363 /nfs/dbraw/zinc/92/53/63/572925363.db2.gz IABMWDBBVGZLNG-NXEZZACHSA-N 0 0 193.315 2.815 10 30 AFEERN Cc1oc2ccccc2c1OCC#N 141130887 572925376 /nfs/dbraw/zinc/92/53/76/572925376.db2.gz AXHBXWHIWVCZTQ-UHFFFAOYSA-N 0 0 187.198 2.644 10 30 AFEERN C#CCC/C=C/[C@@H](O)CCC(=C)C 238085738 572925422 /nfs/dbraw/zinc/92/54/22/572925422.db2.gz KKIJBYXVOSNLDM-ABZNLYFFSA-N 0 0 178.275 2.673 10 30 AFEERN C=C(CC)COC(=O)C(F)=C(C)C 308195048 572925600 /nfs/dbraw/zinc/92/56/00/572925600.db2.gz QKPQZURGPIQOBU-UHFFFAOYSA-N 0 0 186.226 2.759 10 30 AFEERN CCC(=NNC[C@@H]1C[C@@H]1C)C(C)C 308194935 572925658 /nfs/dbraw/zinc/92/56/58/572925658.db2.gz QFDLQMXRKUTDHO-UWVGGRQHSA-N 0 0 182.311 2.654 10 30 AFEERN CCC(=NNC[C@H]1C[C@@H]1C)C(C)C 308194936 572925718 /nfs/dbraw/zinc/92/57/18/572925718.db2.gz QFDLQMXRKUTDHO-VHSXEESVSA-N 0 0 182.311 2.654 10 30 AFEERN C=C1[C@H]2CCCCC[C@H]12 141111963 572925730 /nfs/dbraw/zinc/92/57/30/572925730.db2.gz MUDRFXBMCDULFP-RKDXNWHRSA-N 0 0 122.211 2.753 10 30 AFEERN CCc1cc(N)ccc1C(C)(C)C#N 141266416 572926366 /nfs/dbraw/zinc/92/63/66/572926366.db2.gz VNFZEKFWSNOZRO-UHFFFAOYSA-N 0 0 188.274 2.632 10 30 AFEERN C=CC[C@@H]1CCCC=CCC1=O 238086912 572926536 /nfs/dbraw/zinc/92/65/36/572926536.db2.gz VGCQPBZAPKWBKZ-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN O=C1C=Cc2ccccc2CCC1 214026606 572926557 /nfs/dbraw/zinc/92/65/57/572926557.db2.gz XMPUUPGDXQBCIH-UHFFFAOYSA-N 0 0 172.227 2.605 10 30 AFEERN C=CCCN(C)c1ccc(C=O)s1 308191539 572926593 /nfs/dbraw/zinc/92/65/93/572926593.db2.gz OACBETRSXSBUBW-UHFFFAOYSA-N 0 0 195.287 2.573 10 30 AFEERN CC(=O)CC1(CC=O)CCCCC1 238088298 572926635 /nfs/dbraw/zinc/92/66/35/572926635.db2.gz GAVIAVOLFJHIOY-UHFFFAOYSA-N 0 0 182.263 2.505 10 30 AFEERN C=C(C)CC[C@H](O)C1=CCCC1 238085521 572926955 /nfs/dbraw/zinc/92/69/55/572926955.db2.gz DNYRHVSAZHKSCJ-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN C=CCSC(C)(C)CC(C)=O 238086923 572926692 /nfs/dbraw/zinc/92/66/92/572926692.db2.gz UYGXKXINIKIPGC-UHFFFAOYSA-N 0 0 172.293 2.663 10 30 AFEERN C=C[C@H](O)[C@@]1(C)C(=C)[C@H]2CC[C@@H]1C2 141231915 572926983 /nfs/dbraw/zinc/92/69/83/572926983.db2.gz IZDHAIFDXCPWMX-USZNOCQGSA-N 0 0 178.275 2.526 10 30 AFEERN C#CCCCC(O)(C(C)C)C(C)C 308199075 572927251 /nfs/dbraw/zinc/92/72/51/572927251.db2.gz ORRVJIQLODRHMM-UHFFFAOYSA-N 0 0 182.307 2.833 10 30 AFEERN C[C@H](C#N)CC(=O)[C@@H](C)C(C)(C)C 308199082 572927624 /nfs/dbraw/zinc/92/76/24/572927624.db2.gz TWGTUAFYVUQCTK-DTWKUNHWSA-N 0 0 181.279 2.787 10 30 AFEERN CCCCCC[C@H]1CC[C@H](C=O)O1 308198784 572927326 /nfs/dbraw/zinc/92/73/26/572927326.db2.gz OODUSAABURCZMD-WDEREUQCSA-N 0 0 184.279 2.703 10 30 AFEERN C#CCCCC[C@@H](O)CCC(=C)C 238085590 572927351 /nfs/dbraw/zinc/92/73/51/572927351.db2.gz OWIPMPUAXMNONK-GFCCVEGCSA-N 0 0 180.291 2.897 10 30 AFEERN CCCCCC[C@@H]1CC[C@H](C=O)O1 308198777 572927455 /nfs/dbraw/zinc/92/74/55/572927455.db2.gz OODUSAABURCZMD-GHMZBOCLSA-N 0 0 184.279 2.703 10 30 AFEERN C[C@H](C(=O)C[C@@H](C)C#N)C(C)(C)C 308199086 572927534 /nfs/dbraw/zinc/92/75/34/572927534.db2.gz TWGTUAFYVUQCTK-RKDXNWHRSA-N 0 0 181.279 2.787 10 30 AFEERN C=C(C)C#C[C@H](O)c1ccc(C)cc1 207471929 572927832 /nfs/dbraw/zinc/92/78/32/572927832.db2.gz QWBWVBUILKIOEO-ZDUSSCGKSA-N 0 0 186.254 2.608 10 30 AFEERN C=C(CC)CN1CCC[C@@H]1C(F)F 308200606 572928417 /nfs/dbraw/zinc/92/84/17/572928417.db2.gz UTKVHXGDFSCUOT-SECBINFHSA-N 0 0 189.249 2.682 10 30 AFEERN C=C(CC)CN(OC)C1CCCC1 308201332 572928472 /nfs/dbraw/zinc/92/84/72/572928472.db2.gz VLMCBILGHKBLDG-UHFFFAOYSA-N 0 0 183.295 2.759 10 30 AFEERN C=C(C)C[C@@H](C=O)c1ccccc1 238092846 572928542 /nfs/dbraw/zinc/92/85/42/572928542.db2.gz ABERRYHIWLLCFX-LBPRGKRZSA-N 0 0 174.243 2.935 10 30 AFEERN C=CC[C@H]1C=CNC(=S)[C@H]1CC=C 238093885 572928808 /nfs/dbraw/zinc/92/88/08/572928808.db2.gz IABMWDBBVGZLNG-UWVGGRQHSA-N 0 0 193.315 2.815 10 30 AFEERN C=CC[C@H]1C=CNC(=S)[C@@H]1CC=C 238093869 572928905 /nfs/dbraw/zinc/92/89/05/572928905.db2.gz IABMWDBBVGZLNG-VHSXEESVSA-N 0 0 193.315 2.815 10 30 AFEERN C=C(C)CSc1ncc(C=O)s1 238092598 572929087 /nfs/dbraw/zinc/92/90/87/572929087.db2.gz FSWOZEILGPDLBV-UHFFFAOYSA-N 0 0 199.300 2.624 10 30 AFEERN C=C(C)CSCC(C)(C)C=O 238092030 572929090 /nfs/dbraw/zinc/92/90/90/572929090.db2.gz VQGVNONQTFXJMV-UHFFFAOYSA-N 0 0 172.293 2.521 10 30 AFEERN C=C(C)C[C@@H](CO)c1ccccc1 238093564 572929113 /nfs/dbraw/zinc/92/91/13/572929113.db2.gz KLFWYHRNKODGHZ-LBPRGKRZSA-N 0 0 176.259 2.729 10 30 AFEERN C=CC[C@H]1CC=CCCCC1=O 238094090 572929127 /nfs/dbraw/zinc/92/91/27/572929127.db2.gz YAMZDMKYBFKSHG-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C=CC(=O)C(C1CCC1)C1CCC1 308201159 572929153 /nfs/dbraw/zinc/92/91/53/572929153.db2.gz PXGCFJWBQLOLNX-UHFFFAOYSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)CSc1ccccc1CO 238092545 572929155 /nfs/dbraw/zinc/92/91/55/572929155.db2.gz UOXVLSVQVIVKSC-UHFFFAOYSA-N 0 0 194.299 2.847 10 30 AFEERN C=CCC(C=O)(CC=C)OCC(=C)C 238089775 572929286 /nfs/dbraw/zinc/92/92/86/572929286.db2.gz TVZHBKGGSOEVGQ-UHFFFAOYSA-N 0 0 194.274 2.669 10 30 AFEERN C=C(C)COCC1(C=O)CCCCC1 238090267 572929335 /nfs/dbraw/zinc/92/93/35/572929335.db2.gz IXALPOBXMPHBAD-UHFFFAOYSA-N 0 0 196.290 2.729 10 30 AFEERN C=C(C)COCC1(CO)CCCCC1 238090307 572929407 /nfs/dbraw/zinc/92/94/07/572929407.db2.gz GOPDJGFMPFEEKP-UHFFFAOYSA-N 0 0 198.306 2.522 10 30 AFEERN C=CC[C@H](C=O)C1CCCCC1 238093008 572929424 /nfs/dbraw/zinc/92/94/24/572929424.db2.gz AZEZQVQYEAQPHM-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)COc1cccc(C=O)c1C 238091498 572929458 /nfs/dbraw/zinc/92/94/58/572929458.db2.gz TWFSTSYGSOXAMO-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN C=C(C)CSCCCCCCO 238092129 572929491 /nfs/dbraw/zinc/92/94/91/572929491.db2.gz PMOZRIPYXGEUMO-UHFFFAOYSA-N 0 0 188.336 2.848 10 30 AFEERN FC(F)C1(C=NOC2CCC2)CC1 308201084 572929861 /nfs/dbraw/zinc/92/98/61/572929861.db2.gz YHBRTEHMWNVLJO-UHFFFAOYSA-N 0 0 189.205 2.587 10 30 AFEERN C=CC[C@@H]1CCC(=C)[C@]1(C)CCO 308203511 572930418 /nfs/dbraw/zinc/93/04/18/572930418.db2.gz GHSTZQJYHIRYDZ-NEPJUHHUSA-N 0 0 180.291 2.917 10 30 AFEERN C#CCC[C@H](O)/C=C/C=C/C(C)C 238108413 572930455 /nfs/dbraw/zinc/93/04/55/572930455.db2.gz TYDRKOBAULYYTJ-PYPSYJNGSA-N 0 0 178.275 2.529 10 30 AFEERN C#CCC[C@@H](O)/C=C/C=C/C(C)C 238108584 572930875 /nfs/dbraw/zinc/93/08/75/572930875.db2.gz TYDRKOBAULYYTJ-ROAAOTSXSA-N 0 0 178.275 2.529 10 30 AFEERN C/C(=N/O)c1ccc(F)c(Cl)c1 57809300 572930879 /nfs/dbraw/zinc/93/08/79/572930879.db2.gz VQWDTHFWUJEILW-WZUFQYTHSA-N 0 0 187.601 2.677 10 30 AFEERN C=CC(=C)CCCC(C)(C)OCCO 238097266 572931221 /nfs/dbraw/zinc/93/12/21/572931221.db2.gz CRDIGBVAOXWWBC-UHFFFAOYSA-N 0 0 198.306 2.686 10 30 AFEERN C=CCCCc1nnc(C(F)F)o1 308202422 572931406 /nfs/dbraw/zinc/93/14/06/572931406.db2.gz ZOAIMHOPCZFJAQ-UHFFFAOYSA-N 0 0 188.177 2.516 10 30 AFEERN C=C(C)C[C@H](O)/C=C/[Si](C)(C)C 238102636 572931631 /nfs/dbraw/zinc/93/16/31/572931631.db2.gz QCMMMUFBPNPPLF-VQCYPWCPSA-N 0 0 184.355 2.747 10 30 AFEERN C=C(C)C/C=C/CCCCO 238105792 572931736 /nfs/dbraw/zinc/93/17/36/572931736.db2.gz UTIDUHVUWCIWEA-GQCTYLIASA-N 0 0 154.253 2.671 10 30 AFEERN C=CC(=O)[C@H](C=C)c1ccccc1 238105113 572931818 /nfs/dbraw/zinc/93/18/18/572931818.db2.gz SHKPSGIQACXPRD-LLVKDONJSA-N 0 0 172.227 2.711 10 30 AFEERN C#C[C@@](C)(CCCCO)C(C)(C)C 238105306 572931835 /nfs/dbraw/zinc/93/18/35/572931835.db2.gz OAYDGXUAORGILL-LBPRGKRZSA-N 0 0 182.307 2.835 10 30 AFEERN C=C[C@@H](O)CCC(C)(C)c1ccco1 238101947 572932055 /nfs/dbraw/zinc/93/20/55/572932055.db2.gz YONZCVKOFQADKX-SNVBAGLBSA-N 0 0 194.274 2.884 10 30 AFEERN C=CC[C@@H]1CCC(=C)[C@@]1(C)CCO 308203514 572932091 /nfs/dbraw/zinc/93/20/91/572932091.db2.gz GHSTZQJYHIRYDZ-VXGBXAGGSA-N 0 0 180.291 2.917 10 30 AFEERN CCCCC[C@]1(C#N)CCCCN1 308203506 572932097 /nfs/dbraw/zinc/93/20/97/572932097.db2.gz GHMPRDLQWHYXBX-LLVKDONJSA-N 0 0 180.295 2.603 10 30 AFEERN CC(=O)CC[C@H](C=O)C1CCCCC1 238104460 572932112 /nfs/dbraw/zinc/93/21/12/572932112.db2.gz OTZZDVDOSGFGSG-GFCCVEGCSA-N 0 0 196.290 2.751 10 30 AFEERN C=CCC(C)(C)CC[C@@H](O)C=C 238101668 572932129 /nfs/dbraw/zinc/93/21/29/572932129.db2.gz LQAAPCTWZBDZAE-JTQLQIEISA-N 0 0 168.280 2.916 10 30 AFEERN C=CC(C)(C)C[C@@H](O)CC(=C)C 238102127 572932329 /nfs/dbraw/zinc/93/23/29/572932329.db2.gz JAJNEHAKOGPJEA-JTQLQIEISA-N 0 0 168.280 2.916 10 30 AFEERN C=CC[C@H]1CCC(=C)[C@]1(C)CCO 308203513 572932346 /nfs/dbraw/zinc/93/23/46/572932346.db2.gz GHSTZQJYHIRYDZ-RYUDHWBXSA-N 0 0 180.291 2.917 10 30 AFEERN C=C(C)C[C@@H](C=O)Oc1ccccc1 238102950 572932361 /nfs/dbraw/zinc/93/23/61/572932361.db2.gz VUDIDFDZVHXGMQ-LBPRGKRZSA-N 0 0 190.242 2.599 10 30 AFEERN C=CCCC(CC)=NNCC1CC1 308203399 572932426 /nfs/dbraw/zinc/93/24/26/572932426.db2.gz WYORMLDEBDKVMA-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN CC(=O)CC[C@H](CC=O)C(C)(C)C 238104503 572932540 /nfs/dbraw/zinc/93/25/40/572932540.db2.gz MSJRNOYSNCZSPA-SNVBAGLBSA-N 0 0 184.279 2.607 10 30 AFEERN C=COc1ccccc1NCCC#N 238104338 572932554 /nfs/dbraw/zinc/93/25/54/572932554.db2.gz XRTUZIGLGQEPKF-UHFFFAOYSA-N 0 0 188.230 2.534 10 30 AFEERN C=C(C)C[C@H](CO)c1ccccc1 238100949 572932628 /nfs/dbraw/zinc/93/26/28/572932628.db2.gz KLFWYHRNKODGHZ-GFCCVEGCSA-N 0 0 176.259 2.729 10 30 AFEERN C=C(C)C[C@H]1[C@H](CC=O)C1(C)C 238104430 572932635 /nfs/dbraw/zinc/93/26/35/572932635.db2.gz DTDZSOAMVAFSCZ-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC1=C([C@@H](O)CC(=C)C)CCC1 238101995 572932705 /nfs/dbraw/zinc/93/27/05/572932705.db2.gz NAXHGGNZJBYYAU-LBPRGKRZSA-N 0 0 178.275 2.980 10 30 AFEERN C#CCCC[C@H](O)[C@H](C)C(C)(C)C 308203917 572932711 /nfs/dbraw/zinc/93/27/11/572932711.db2.gz XIFQVUBMZXKXQK-QWRGUYRKSA-N 0 0 182.307 2.833 10 30 AFEERN C=CCn1cc(C#N)c(-c2ccco2)c1 238101494 572932748 /nfs/dbraw/zinc/93/27/48/572932748.db2.gz PTEDJYDDZUIRGZ-UHFFFAOYSA-N 0 0 198.225 2.806 10 30 AFEERN CC(=O)CC[C@@H](C=O)C1CCCCC1 238101099 572932772 /nfs/dbraw/zinc/93/27/72/572932772.db2.gz OTZZDVDOSGFGSG-LBPRGKRZSA-N 0 0 196.290 2.751 10 30 AFEERN C=C(C)C[C@H](C=O)c1ccccc1 238100478 572932851 /nfs/dbraw/zinc/93/28/51/572932851.db2.gz ABERRYHIWLLCFX-GFCCVEGCSA-N 0 0 174.243 2.935 10 30 AFEERN C=CCC(C)(C)CC[C@H](O)C=C 238101922 572932917 /nfs/dbraw/zinc/93/29/17/572932917.db2.gz LQAAPCTWZBDZAE-SNVBAGLBSA-N 0 0 168.280 2.916 10 30 AFEERN C=C[C@@H](C)OC(=O)C=C(CC)CC 308204874 572932990 /nfs/dbraw/zinc/93/29/90/572932990.db2.gz XZABBMHAHUIBFZ-SECBINFHSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)C[C@H](O)/C=C/C(C)(C)C 238102606 572933038 /nfs/dbraw/zinc/93/30/38/572933038.db2.gz BWXNYJUCVLZLBL-VQCYPWCPSA-N 0 0 168.280 2.916 10 30 AFEERN CC(=O)CC[C@@H](CC=O)C(C)(C)C 238101144 572933109 /nfs/dbraw/zinc/93/31/09/572933109.db2.gz MSJRNOYSNCZSPA-JTQLQIEISA-N 0 0 184.279 2.607 10 30 AFEERN C=C[C@H](O)CCC(C)(C)c1ccco1 238101705 572933180 /nfs/dbraw/zinc/93/31/80/572933180.db2.gz YONZCVKOFQADKX-JTQLQIEISA-N 0 0 194.274 2.884 10 30 AFEERN C=C(C)C[C@H]1[C@@H](CC=O)C1(C)C 238104282 572933236 /nfs/dbraw/zinc/93/32/36/572933236.db2.gz DTDZSOAMVAFSCZ-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC/C=C/C(C)(C)CCO 238101131 572933486 /nfs/dbraw/zinc/93/34/86/572933486.db2.gz XAPZBFKHIPDFOC-VOTSOKGWSA-N 0 0 154.253 2.527 10 30 AFEERN C#CCCC[C@H](O)[C@@H](C)C(C)(C)C 308203916 572933518 /nfs/dbraw/zinc/93/35/18/572933518.db2.gz XIFQVUBMZXKXQK-MNOVXSKESA-N 0 0 182.307 2.833 10 30 AFEERN C=COc1ccc(NCCC#N)cc1 238104237 572933664 /nfs/dbraw/zinc/93/36/64/572933664.db2.gz KUGIWPMFEBNAKD-UHFFFAOYSA-N 0 0 188.230 2.534 10 30 AFEERN CC(C)CC(=O)C(C)(C)CC#N 238119765 572933976 /nfs/dbraw/zinc/93/39/76/572933976.db2.gz FXRLOLASVAIMQA-UHFFFAOYSA-N 0 0 167.252 2.541 10 30 AFEERN Cc1cc(C)c(OCCC#N)cc1C 57900263 572934713 /nfs/dbraw/zinc/93/47/13/572934713.db2.gz ABMDXWYUFUSDDZ-UHFFFAOYSA-N 0 0 189.258 2.904 10 30 AFEERN C#CCCC[C@@H](O)[C@H](C)C(C)(C)C 308203918 572934228 /nfs/dbraw/zinc/93/42/28/572934228.db2.gz XIFQVUBMZXKXQK-WDEREUQCSA-N 0 0 182.307 2.833 10 30 AFEERN C=C(CCCCO)CC(C)C 238118862 572934314 /nfs/dbraw/zinc/93/43/14/572934314.db2.gz HAXVASIYFYHJFE-UHFFFAOYSA-N 0 0 156.269 2.751 10 30 AFEERN CC(C)(C)C(=O)C[C@@H]1CCC[C@H]1C=O 238122476 572934383 /nfs/dbraw/zinc/93/43/83/572934383.db2.gz JFIVZDGKHVCJJD-UWVGGRQHSA-N 0 0 196.290 2.607 10 30 AFEERN C=C[C@H](C)OC(=O)C=C(CC)CC 308204875 572934402 /nfs/dbraw/zinc/93/44/02/572934402.db2.gz XZABBMHAHUIBFZ-VIFPVBQESA-N 0 0 182.263 2.851 10 30 AFEERN C=C(CC(C)C)C(=O)NC(C)(C)C 238118388 572934546 /nfs/dbraw/zinc/93/45/46/572934546.db2.gz VHDPHPKBSACXTD-UHFFFAOYSA-N 0 0 183.295 2.503 10 30 AFEERN CC(C)(C)C(=O)C[C@H]1CCC[C@@H]1C=O 238122837 572934634 /nfs/dbraw/zinc/93/46/34/572934634.db2.gz JFIVZDGKHVCJJD-NXEZZACHSA-N 0 0 196.290 2.607 10 30 AFEERN CC(=O)C[C@@]1(C)CCCC[C@@H]1CC=O 238122997 572934742 /nfs/dbraw/zinc/93/47/42/572934742.db2.gz VKCQQAXOVCKNOK-VXGBXAGGSA-N 0 0 196.290 2.751 10 30 AFEERN CC(=CC(=O)CC(C)C)NC(C)C 238125584 572934882 /nfs/dbraw/zinc/93/48/82/572934882.db2.gz XLJLZZNXIBGLLC-YFHOEESVSA-N 0 0 183.295 2.503 10 30 AFEERN C=CC(=O)[C@@H](C=C)c1ccccc1 238119249 572934886 /nfs/dbraw/zinc/93/48/86/572934886.db2.gz SHKPSGIQACXPRD-NSHDSACASA-N 0 0 172.227 2.711 10 30 AFEERN CC(C)(C=O)COC[C@@H]1CC=CCC1 238126614 572935238 /nfs/dbraw/zinc/93/52/38/572935238.db2.gz KLUWXSNNJNCJKZ-LLVKDONJSA-N 0 0 196.290 2.584 10 30 AFEERN CCCCc1nc(CCC#N)cs1 308206182 572935265 /nfs/dbraw/zinc/93/52/65/572935265.db2.gz YZXXMVWHONJDBG-UHFFFAOYSA-N 0 0 194.303 2.942 10 30 AFEERN C=C(C)[C@H](CCC(C)C)[C@@H](C)O 238124418 572935267 /nfs/dbraw/zinc/93/52/67/572935267.db2.gz HGDRQHJLCXDUJN-MNOVXSKESA-N 0 0 170.296 2.996 10 30 AFEERN CC(C)CC[C@@](C)(O)C(C)(C)C#N 308205802 572935380 /nfs/dbraw/zinc/93/53/80/572935380.db2.gz YTFNTBHBLUEMKJ-LLVKDONJSA-N 0 0 183.295 2.723 10 30 AFEERN CC(C)(C)C(=O)C[C@@H]1CCC[C@@H]1C=O 238122448 572935432 /nfs/dbraw/zinc/93/54/32/572935432.db2.gz JFIVZDGKHVCJJD-VHSXEESVSA-N 0 0 196.290 2.607 10 30 AFEERN C=C(C)[C@@H](CO)CCC(C)C 238122672 572935544 /nfs/dbraw/zinc/93/55/44/572935544.db2.gz PMOFWWQUAGZKEN-SNVBAGLBSA-N 0 0 156.269 2.607 10 30 AFEERN CC(C)CC[C@](C)(O)C(C)(C)C#N 308205803 572935634 /nfs/dbraw/zinc/93/56/34/572935634.db2.gz YTFNTBHBLUEMKJ-NSHDSACASA-N 0 0 183.295 2.723 10 30 AFEERN C=C(C)[C@@H](O)/C=C/CCc1ccco1 238117805 572935862 /nfs/dbraw/zinc/93/58/62/572935862.db2.gz IAPXQTZAPJNDPR-GXWOQWCDSA-N 0 0 192.258 2.705 10 30 AFEERN CC(C)(C)C(=O)C[C@H]1CCC[C@H]1C=O 238122867 572935920 /nfs/dbraw/zinc/93/59/20/572935920.db2.gz JFIVZDGKHVCJJD-ZJUUUORDSA-N 0 0 196.290 2.607 10 30 AFEERN CC(C)(C=O)COC[C@H]1CC=CCC1 238126579 572936100 /nfs/dbraw/zinc/93/61/00/572936100.db2.gz KLUWXSNNJNCJKZ-NSHDSACASA-N 0 0 196.290 2.584 10 30 AFEERN CC(=O)C[C@@]1(C)CCCC[C@H]1CC=O 238123058 572936291 /nfs/dbraw/zinc/93/62/91/572936291.db2.gz VKCQQAXOVCKNOK-NWDGAFQWSA-N 0 0 196.290 2.751 10 30 AFEERN C=C(C)[C@H](C=O)Cc1ccccc1 238112852 572936684 /nfs/dbraw/zinc/93/66/84/572936684.db2.gz RDGJDABAAWBLOV-LBPRGKRZSA-N 0 0 174.243 2.620 10 30 AFEERN C=C(C)[C@@H](CCC(C)C)[C@@H](C)O 238116237 572936834 /nfs/dbraw/zinc/93/68/34/572936834.db2.gz HGDRQHJLCXDUJN-GHMZBOCLSA-N 0 0 170.296 2.996 10 30 AFEERN CCc1ccc2c(c1)CC[C@H](C#N)C2 57936509 572936839 /nfs/dbraw/zinc/93/68/39/572936839.db2.gz BSVXFPKTIMYWAK-NSHDSACASA-N 0 0 185.270 2.877 10 30 AFEERN C=C(C)[C@@H](O)CCCc1ccco1 238116195 572936930 /nfs/dbraw/zinc/93/69/30/572936930.db2.gz LWJHAZLSLLGNQB-NSHDSACASA-N 0 0 180.247 2.539 10 30 AFEERN Cc1ccc2c(c1)CC[C@@H](C#N)C2 57935703 572937323 /nfs/dbraw/zinc/93/73/23/572937323.db2.gz DXUSYECBPKSBHA-SNVBAGLBSA-N 0 0 171.243 2.624 10 30 AFEERN C=C(C)[C@@H](O)CC/C(C)=C/CC#N 238115710 572937343 /nfs/dbraw/zinc/93/73/43/572937343.db2.gz SFHDUGFQKUVGTB-UAWPZABVSA-N 0 0 179.263 2.564 10 30 AFEERN C=C/C(C)=C\CC[C@H](O)C(=C)C 238115535 572937396 /nfs/dbraw/zinc/93/73/96/572937396.db2.gz RFSXZASZJPRWDU-BRNRAETOSA-N 0 0 166.264 2.836 10 30 AFEERN C=CC(C=C)[C@H](O)/C=C/C(C)(C)C 238113425 572937399 /nfs/dbraw/zinc/93/73/99/572937399.db2.gz VCILVSCLGKFLBJ-ANYFNZRUSA-N 0 0 180.291 2.938 10 30 AFEERN CC[C@](C)(C#N)N[C@H](C)CC(C)C 308195735 572937410 /nfs/dbraw/zinc/93/74/10/572937410.db2.gz QVUYPNWJDZPLFH-GHMZBOCLSA-N 0 0 182.311 2.703 10 30 AFEERN CCc1ccc2c(c1)CC[C@@H](C#N)C2 57936511 572937568 /nfs/dbraw/zinc/93/75/68/572937568.db2.gz BSVXFPKTIMYWAK-LLVKDONJSA-N 0 0 185.270 2.877 10 30 AFEERN C=C(C)[C@@H](Cc1ccco1)C(C)=O 238112929 572937594 /nfs/dbraw/zinc/93/75/94/572937594.db2.gz FZDNSTWHJZEKNT-LLVKDONJSA-N 0 0 178.231 2.603 10 30 AFEERN CC(C)(C)C#CCCCCC=O 238115741 572937607 /nfs/dbraw/zinc/93/76/07/572937607.db2.gz YASSFQCHDLVCNJ-UHFFFAOYSA-N 0 0 166.264 2.795 10 30 AFEERN Cc1cccc2c1C[C@H](C#N)CC2 57935705 572937682 /nfs/dbraw/zinc/93/76/82/572937682.db2.gz CRQLTZSCWJFBDW-SNVBAGLBSA-N 0 0 171.243 2.624 10 30 AFEERN Cc1ccc2c(c1)CC[C@H](C#N)C2 57935697 572937988 /nfs/dbraw/zinc/93/79/88/572937988.db2.gz DXUSYECBPKSBHA-JTQLQIEISA-N 0 0 171.243 2.624 10 30 AFEERN C=CCC(O)(C1CCC1)C1CCC1 308195901 572938055 /nfs/dbraw/zinc/93/80/55/572938055.db2.gz MNCQCFWEUNWHJT-UHFFFAOYSA-N 0 0 180.291 2.894 10 30 AFEERN CCC(O)(CC)C[C@@](C)(C#N)CC 308195767 572938440 /nfs/dbraw/zinc/93/84/40/572938440.db2.gz QXMPNYSBFRKREF-JTQLQIEISA-N 0 0 183.295 2.867 10 30 AFEERN CC[C@@](C)(C#N)N[C@@H](C)CC(C)C 308195737 572938060 /nfs/dbraw/zinc/93/80/60/572938060.db2.gz QVUYPNWJDZPLFH-QWRGUYRKSA-N 0 0 182.311 2.703 10 30 AFEERN C=C(C)[C@@H](CCC(C)C)[C@H](C)O 238116448 572938447 /nfs/dbraw/zinc/93/84/47/572938447.db2.gz HGDRQHJLCXDUJN-WDEREUQCSA-N 0 0 170.296 2.996 10 30 AFEERN C=C(C)[C@@H](O)/C=C/C=C/c1ccco1 238114055 572938362 /nfs/dbraw/zinc/93/83/62/572938362.db2.gz HTPZDUNSFJAIDQ-KQABFALLSA-N 0 0 190.242 2.786 10 30 AFEERN C=CCC(C)(C)C[C@H](O)C(=C)C 238115486 572938632 /nfs/dbraw/zinc/93/86/32/572938632.db2.gz JBFXRYBNIGFCOB-JTQLQIEISA-N 0 0 168.280 2.916 10 30 AFEERN C=C(C)[C@H](CO)CCC(C)C 238114115 572938636 /nfs/dbraw/zinc/93/86/36/572938636.db2.gz PMOFWWQUAGZKEN-JTQLQIEISA-N 0 0 156.269 2.607 10 30 AFEERN CC[C@@](C)(C#N)N[C@H](C)CC(C)C 308195736 572938688 /nfs/dbraw/zinc/93/86/88/572938688.db2.gz QVUYPNWJDZPLFH-MNOVXSKESA-N 0 0 182.311 2.703 10 30 AFEERN C=C(C)[C@@H](O)C1=CCCC=CCC1 238115036 572938730 /nfs/dbraw/zinc/93/87/30/572938730.db2.gz AJZBAAREZFSHSQ-GFCCVEGCSA-N 0 0 178.275 2.980 10 30 AFEERN CC[C@](C)(C#N)N[C@@H](C)CC(C)C 308195739 572939071 /nfs/dbraw/zinc/93/90/71/572939071.db2.gz QVUYPNWJDZPLFH-WDEREUQCSA-N 0 0 182.311 2.703 10 30 AFEERN CCC(O)(CC)C[C@](C)(C#N)CC 308195768 572939134 /nfs/dbraw/zinc/93/91/34/572939134.db2.gz QXMPNYSBFRKREF-SNVBAGLBSA-N 0 0 183.295 2.867 10 30 AFEERN CC(=O)C[C@]1(C)CCCC[C@H]1CC=O 238133733 572940131 /nfs/dbraw/zinc/94/01/31/572940131.db2.gz VKCQQAXOVCKNOK-RYUDHWBXSA-N 0 0 196.290 2.751 10 30 AFEERN CC[C@H](C)CN(CC)[C@H](C#N)CC 86437662 572939393 /nfs/dbraw/zinc/93/93/93/572939393.db2.gz URBTUNAVKYOXRI-QWRGUYRKSA-N 0 0 182.311 2.657 10 30 AFEERN CC[C@H](C#N)[C@H](O)[C@@H](C)C(C)(C)C 308197212 572939665 /nfs/dbraw/zinc/93/96/65/572939665.db2.gz RYLPWHYXAWGJRA-OPRDCNLKSA-N 0 0 183.295 2.579 10 30 AFEERN C=C(C)[C@H](O)/C=C/C=C/c1ccco1 238139609 572939746 /nfs/dbraw/zinc/93/97/46/572939746.db2.gz HTPZDUNSFJAIDQ-MGFQYHCFSA-N 0 0 190.242 2.786 10 30 AFEERN C=C/C(C)=C\CC[C@@H](O)C(=C)C 238140469 572939828 /nfs/dbraw/zinc/93/98/28/572939828.db2.gz RFSXZASZJPRWDU-ZJRUKIMVSA-N 0 0 166.264 2.836 10 30 AFEERN C=C(C)[C@@H](C=O)Cc1ccccc1 238138773 572939884 /nfs/dbraw/zinc/93/98/84/572939884.db2.gz RDGJDABAAWBLOV-GFCCVEGCSA-N 0 0 174.243 2.620 10 30 AFEERN C[C@@H](CCC(C)(C)C)[NH2+]CCC#N 308197541 572939941 /nfs/dbraw/zinc/93/99/41/572939941.db2.gz SDZVXKLNVYZAJI-JTQLQIEISA-N 0 0 182.311 2.704 10 30 AFEERN CC[C@@H](C#N)N(CC)C[C@H](C)CC 86437660 572939992 /nfs/dbraw/zinc/93/99/92/572939992.db2.gz URBTUNAVKYOXRI-MNOVXSKESA-N 0 0 182.311 2.657 10 30 AFEERN C=CC[C@@]1(C)C=C(C(=C)CO)CC1 308197459 572940019 /nfs/dbraw/zinc/94/00/19/572940019.db2.gz NRKCSUYIVXHWHZ-GFCCVEGCSA-N 0 0 178.275 2.838 10 30 AFEERN CC[C@H](C#N)[C@@H](O)[C@@H](C)C(C)(C)C 308197210 572940452 /nfs/dbraw/zinc/94/04/52/572940452.db2.gz RYLPWHYXAWGJRA-BBBLOLIVSA-N 0 0 183.295 2.579 10 30 AFEERN CC(=O)C[C@]1(C)CCCC[C@@H]1CC=O 238133684 572940539 /nfs/dbraw/zinc/94/05/39/572940539.db2.gz VKCQQAXOVCKNOK-NEPJUHHUSA-N 0 0 196.290 2.751 10 30 AFEERN C=C(C)[C@H](CCC#N)CCC(C)=O 238137802 572940590 /nfs/dbraw/zinc/94/05/90/572940590.db2.gz CPNXPHYNLOOAHH-LLVKDONJSA-N 0 0 179.263 2.852 10 30 AFEERN CC(C)=CC(C)(C)[C@@H](O)C(C)(C)C=O 238138144 572940680 /nfs/dbraw/zinc/94/06/80/572940680.db2.gz POOIAIAPJOBKPB-SNVBAGLBSA-N 0 0 198.306 2.565 10 30 AFEERN C=C(C)[C@H](O)CC/C(C)=C/CC#N 238140590 572940708 /nfs/dbraw/zinc/94/07/08/572940708.db2.gz SFHDUGFQKUVGTB-IGLBNKAOSA-N 0 0 179.263 2.564 10 30 AFEERN CC(C)=CC(C)(C)[C@H](O)C(C)(C)C=O 238138309 572940725 /nfs/dbraw/zinc/94/07/25/572940725.db2.gz POOIAIAPJOBKPB-JTQLQIEISA-N 0 0 198.306 2.565 10 30 AFEERN CC(C)=CCC(=O)C(C)(C)CC=O 238140555 572940770 /nfs/dbraw/zinc/94/07/70/572940770.db2.gz QSYWOXOWOVKJKC-UHFFFAOYSA-N 0 0 182.263 2.527 10 30 AFEERN C=C(C)[C@H](Cc1ccco1)C(C)=O 238138824 572940889 /nfs/dbraw/zinc/94/08/89/572940889.db2.gz FZDNSTWHJZEKNT-NSHDSACASA-N 0 0 178.231 2.603 10 30 AFEERN C=C(C)[C@@](C)(CN=[N+]=[N-])N=[N+]=[N-] 238133084 572941009 /nfs/dbraw/zinc/94/10/09/572941009.db2.gz ILDABYHQJCVFSV-ZCFIWIBFSA-N 0 0 166.188 2.942 10 30 AFEERN C#CCCC(=O)C(=C)CC=C(C)C 238140434 572941080 /nfs/dbraw/zinc/94/10/80/572941080.db2.gz PQEOGUSBNXIJNL-UHFFFAOYSA-N 0 0 176.259 2.881 10 30 AFEERN C=CCC(=O)C(C)(C)[C@@H](O)CC(C)C 238140107 572941617 /nfs/dbraw/zinc/94/16/17/572941617.db2.gz SJBSCPWCJHDPTK-NSHDSACASA-N 0 0 198.306 2.565 10 30 AFEERN C=CCCc1cc(C(C)=O)c(C)o1 238133085 572941652 /nfs/dbraw/zinc/94/16/52/572941652.db2.gz QFHYFSMMBXYRRL-UHFFFAOYSA-N 0 0 178.231 2.909 10 30 AFEERN C=CCC(C)(C)C[C@@H](O)C(=C)C 238140442 572941755 /nfs/dbraw/zinc/94/17/55/572941755.db2.gz JBFXRYBNIGFCOB-SNVBAGLBSA-N 0 0 168.280 2.916 10 30 AFEERN C=C([C@@H](O)C(C)(C)CC)C(F)(F)F 308209966 572941938 /nfs/dbraw/zinc/94/19/38/572941938.db2.gz KQAMNOOXLNSYBF-SSDOTTSWSA-N 0 0 196.212 2.902 10 30 AFEERN C#CCON=CCCCCCCC 308210680 572942505 /nfs/dbraw/zinc/94/25/05/572942505.db2.gz GESOFXXVDWDMMD-UHFFFAOYSA-N 0 0 181.279 2.983 10 30 AFEERN C=C/C=C/CCC[C@@H](O)C(=C)C 238140646 572942506 /nfs/dbraw/zinc/94/25/06/572942506.db2.gz MOHYCKKDEMNGIE-MVIFTORASA-N 0 0 166.264 2.836 10 30 AFEERN C=C(C)[C@H](O)CC/C(C)=C/CCC#N 238140617 572942679 /nfs/dbraw/zinc/94/26/79/572942679.db2.gz BCPVDYDFJPETTL-IGEMTJHASA-N 0 0 193.290 2.954 10 30 AFEERN C=C(C)[C@H](O)CCCc1ccco1 238140899 572942682 /nfs/dbraw/zinc/94/26/82/572942682.db2.gz LWJHAZLSLLGNQB-LLVKDONJSA-N 0 0 180.247 2.539 10 30 AFEERN CCc1ccc(/C(C)=N/O)s1 58181372 572943022 /nfs/dbraw/zinc/94/30/22/572943022.db2.gz ZPGOTLMISRAVDN-RMKNXTFCSA-N 0 0 169.249 2.509 10 30 AFEERN C=C([C@H](O)C(C)(C)CC)C(F)(F)F 308209971 572943112 /nfs/dbraw/zinc/94/31/12/572943112.db2.gz KQAMNOOXLNSYBF-ZETCQYMHSA-N 0 0 196.212 2.902 10 30 AFEERN C=C[C@H](C)OC(=O)/C=C(\C)CCC 308211038 572943675 /nfs/dbraw/zinc/94/36/75/572943675.db2.gz GKHFBJQJELQIGU-DDXVTDLHSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)[C@@H]1CC(C=O)=C(O)[C@H](C)C1 308207474 572943677 /nfs/dbraw/zinc/94/36/77/572943677.db2.gz IWMVBDRVSIOUQS-QJXKICHHSA-N 0 0 180.247 2.620 10 30 AFEERN C=CCSc1cc(OC)ccc1N 86478232 572944244 /nfs/dbraw/zinc/94/42/44/572944244.db2.gz RQLTYMNZQWEYOZ-UHFFFAOYSA-N 0 0 195.287 2.556 10 30 AFEERN C=C[C@@H](C)OC(=O)/C=C(\C)CCC 308211037 572943894 /nfs/dbraw/zinc/94/38/94/572943894.db2.gz GKHFBJQJELQIGU-AAXQSMANSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H]([NH2+]C)c1c(F)cccc1F 86477559 572943995 /nfs/dbraw/zinc/94/39/95/572943995.db2.gz ZTEZTJVUWSAGEP-SNVBAGLBSA-N 0 0 197.228 2.801 10 30 AFEERN C=C[C@H](C)OC(=O)/C=C(/C)CCC 308211040 572944044 /nfs/dbraw/zinc/94/40/44/572944044.db2.gz GKHFBJQJELQIGU-QROTZFDESA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H]([NH2+]C)c1c(F)cccc1F 86477557 572944252 /nfs/dbraw/zinc/94/42/52/572944252.db2.gz ZTEZTJVUWSAGEP-JTQLQIEISA-N 0 0 197.228 2.801 10 30 AFEERN C=C(C)[C@H](O)CCCc1ccc(C)o1 238140874 572944358 /nfs/dbraw/zinc/94/43/58/572944358.db2.gz RYIBJTSFMBPTFV-GFCCVEGCSA-N 0 0 194.274 2.848 10 30 AFEERN C=C([C@H](O)[C@@H](C)CC)C(F)(F)F 308109614 572945271 /nfs/dbraw/zinc/94/52/71/572945271.db2.gz JJRDUZHHCKICOJ-CAHLUQPWSA-N 0 0 182.185 2.512 10 30 AFEERN CCCC[C@]1(CC)CC[C@H](C=O)O1 308208069 572945688 /nfs/dbraw/zinc/94/56/88/572945688.db2.gz UZVXMFLZGDGTFL-GHMZBOCLSA-N 0 0 184.279 2.703 10 30 AFEERN CCCC[C@@]1(CC)CC[C@H](C=O)O1 308208070 572945841 /nfs/dbraw/zinc/94/58/41/572945841.db2.gz UZVXMFLZGDGTFL-MNOVXSKESA-N 0 0 184.279 2.703 10 30 AFEERN C=CCCC(=O)O[C@H](C)CC(C)C 308167702 572946074 /nfs/dbraw/zinc/94/60/74/572946074.db2.gz AIJQTOIHRALUTQ-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C[C@@](O)(CC=O)C1=CCCCCCC1 235423976 572946183 /nfs/dbraw/zinc/94/61/83/572946183.db2.gz RZFOICZAQOBBPB-GFCCVEGCSA-N 0 0 196.290 2.607 10 30 AFEERN CCCC[C@@]1(CC)CC[C@@H](C=O)O1 308208071 572946708 /nfs/dbraw/zinc/94/67/08/572946708.db2.gz UZVXMFLZGDGTFL-QWRGUYRKSA-N 0 0 184.279 2.703 10 30 AFEERN C=C[C@H]([C@H](C)O)[C@@H](C)C(C)(C)C 308124156 572946789 /nfs/dbraw/zinc/94/67/89/572946789.db2.gz UABFZIASNSCKBH-UTLUCORTSA-N 0 0 170.296 2.852 10 30 AFEERN CCCCCCC[C@@H](O)[C@@H](F)C#N 308208700 572947070 /nfs/dbraw/zinc/94/70/70/572947070.db2.gz VJZNFMNBGQQZMY-VHSXEESVSA-N 0 0 187.258 2.569 10 30 AFEERN CCCCCCC[C@H](O)[C@@H](F)C#N 308208698 572946961 /nfs/dbraw/zinc/94/69/61/572946961.db2.gz VJZNFMNBGQQZMY-UWVGGRQHSA-N 0 0 187.258 2.569 10 30 AFEERN CCCOCC1=CC(=O)CC(C)(C)C1 86528366 572947207 /nfs/dbraw/zinc/94/72/07/572947207.db2.gz CTMOIERPJLCQNS-UHFFFAOYSA-N 0 0 196.290 2.729 10 30 AFEERN CCCC[C@]1(CC)CC[C@@H](C=O)O1 308208072 572947451 /nfs/dbraw/zinc/94/74/51/572947451.db2.gz UZVXMFLZGDGTFL-WDEREUQCSA-N 0 0 184.279 2.703 10 30 AFEERN CCC(CC)[C@H]1CC[C@@](C)(C=O)O1 308214974 572948509 /nfs/dbraw/zinc/94/85/09/572948509.db2.gz ZABGAOSOKYRMGQ-MNOVXSKESA-N 0 0 184.279 2.559 10 30 AFEERN CCC(CC)[C@@H]1CC[C@@](C)(C=O)O1 308214977 572948235 /nfs/dbraw/zinc/94/82/35/572948235.db2.gz ZABGAOSOKYRMGQ-QWRGUYRKSA-N 0 0 184.279 2.559 10 30 AFEERN CCC(CC)[C@@H]1CC[C@](C)(C=O)O1 308214982 572948936 /nfs/dbraw/zinc/94/89/36/572948936.db2.gz ZABGAOSOKYRMGQ-WDEREUQCSA-N 0 0 184.279 2.559 10 30 AFEERN C=CCC[C@H](C)OC(=O)/C=C/CC 308213824 572949199 /nfs/dbraw/zinc/94/91/99/572949199.db2.gz HWFSWZLTXHDUGR-PCYYEKQGSA-N 0 0 182.263 2.851 10 30 AFEERN CC(C)(C)NN=CC1CCCCC1 308220793 572949380 /nfs/dbraw/zinc/94/93/80/572949380.db2.gz CBMPWPPBKCTIFM-UHFFFAOYSA-N 0 0 182.311 2.941 10 30 AFEERN CCC(CC)[C@H]1CC[C@](C)(C=O)O1 308214968 572949427 /nfs/dbraw/zinc/94/94/27/572949427.db2.gz ZABGAOSOKYRMGQ-GHMZBOCLSA-N 0 0 184.279 2.559 10 30 AFEERN CCCCCC1=C(C)CCC1=NN 308215162 572949430 /nfs/dbraw/zinc/94/94/30/572949430.db2.gz IYOUKAOKTOEKDH-UHFFFAOYSA-N 0 0 180.295 2.992 10 30 AFEERN CCN(C)N=C(C)Cc1cccs1 308215128 572949504 /nfs/dbraw/zinc/94/95/04/572949504.db2.gz IWDRGTTZNUOAPA-UHFFFAOYSA-N 0 0 196.319 2.618 10 30 AFEERN C=C[C@H](CCO)CCC=C(C)C 238146341 572949554 /nfs/dbraw/zinc/94/95/54/572949554.db2.gz PWTUUWJRNIBNLZ-NSHDSACASA-N 0 0 168.280 2.917 10 30 AFEERN C=C(C)CNN=C1CC[C@H](CC)C1 308213785 572949676 /nfs/dbraw/zinc/94/96/76/572949676.db2.gz HUUHHICTSKABQD-JTQLQIEISA-N 0 0 180.295 2.718 10 30 AFEERN C=CC(C)(C=C)[C@H](O)C(C)(C)C 238146119 572949822 /nfs/dbraw/zinc/94/98/22/572949822.db2.gz KVVMPAUUWMQSGC-SECBINFHSA-N 0 0 168.280 2.772 10 30 AFEERN C=C(C)CNN=C1CC[C@@H](CC)C1 308213786 572949845 /nfs/dbraw/zinc/94/98/45/572949845.db2.gz HUUHHICTSKABQD-SNVBAGLBSA-N 0 0 180.295 2.718 10 30 AFEERN C=CCCCOCC[C@@H]1CCCC1=O 86532394 572949870 /nfs/dbraw/zinc/94/98/70/572949870.db2.gz MOFHVOUQSGPGMT-NSHDSACASA-N 0 0 196.290 2.729 10 30 AFEERN C#C[C@H](O)C[C@H](C)CCCC(C)C 238145956 572950693 /nfs/dbraw/zinc/95/06/93/572950693.db2.gz KWGBWJDTNNZAHW-NEPJUHHUSA-N 0 0 182.307 2.833 10 30 AFEERN C=CCCCOCC[C@H]1CCCC1=O 86532395 572951142 /nfs/dbraw/zinc/95/11/42/572951142.db2.gz MOFHVOUQSGPGMT-LLVKDONJSA-N 0 0 196.290 2.729 10 30 AFEERN C#C[C@@H](O)C[C@H](C)CCCC(C)C 238146037 572951212 /nfs/dbraw/zinc/95/12/12/572951212.db2.gz KWGBWJDTNNZAHW-VXGBXAGGSA-N 0 0 182.307 2.833 10 30 AFEERN C=CCC(C=O)(C=O)CCC=C(C)C 238143553 572951646 /nfs/dbraw/zinc/95/16/46/572951646.db2.gz HQYQDCIZPIQVSX-UHFFFAOYSA-N 0 0 194.274 2.693 10 30 AFEERN CCc1ccc(NC(C)(C)C#N)cc1 58520750 572951974 /nfs/dbraw/zinc/95/19/74/572951974.db2.gz FOLOIBSHRVITBO-UHFFFAOYSA-N 0 0 188.274 2.963 10 30 AFEERN C[C@H](NC(C)(C)C#N)c1ccccc1 58520734 572952007 /nfs/dbraw/zinc/95/20/07/572952007.db2.gz VJGVMJATGPCNCU-JTQLQIEISA-N 0 0 188.274 2.639 10 30 AFEERN Cc1ccc(CC(C)(C#N)C#N)cc1 58520339 572952028 /nfs/dbraw/zinc/95/20/28/572952028.db2.gz KMDOMDMTAWTISH-UHFFFAOYSA-N 0 0 184.242 2.591 10 30 AFEERN CCc1ccc(OC)c(CS)c1 58520096 572952033 /nfs/dbraw/zinc/95/20/33/572952033.db2.gz KGYQUWVQLOUTNP-UHFFFAOYSA-N 0 0 182.288 2.687 10 30 AFEERN Cc1cc(C(C)(C)C#N)ccc1F 58519070 572952098 /nfs/dbraw/zinc/95/20/98/572952098.db2.gz HRLJPSYYZUCJQI-UHFFFAOYSA-N 0 0 177.222 2.935 10 30 AFEERN Cc1cccc(CCCS)c1 58518140 572952158 /nfs/dbraw/zinc/95/21/58/572952158.db2.gz BCCKHPKJCNBQEP-UHFFFAOYSA-N 0 0 166.289 2.857 10 30 AFEERN C=C[C@H]1C[C@H]1C(=O)CC(C)(C)C 238144473 572952301 /nfs/dbraw/zinc/95/23/01/572952301.db2.gz HLESNNRQHRNVIP-DTWKUNHWSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1cccc(C)c1N[C@H](C)C#N 58518665 572952336 /nfs/dbraw/zinc/95/23/36/572952336.db2.gz VSCWCMHMLSYCRN-SNVBAGLBSA-N 0 0 174.247 2.627 10 30 AFEERN CC(C)CCN[C@H](C#N)CC(C)C 58520115 572952368 /nfs/dbraw/zinc/95/23/68/572952368.db2.gz VXDYFDRJJWCPGY-NSHDSACASA-N 0 0 182.311 2.560 10 30 AFEERN Cc1ccc(C2(C=O)CC2)c(C)c1 58518642 572952435 /nfs/dbraw/zinc/95/24/35/572952435.db2.gz FVNQGRMGIMLULC-UHFFFAOYSA-N 0 0 174.243 2.534 10 30 AFEERN CC(C)CCN[C@@H](C#N)CC(C)C 58520116 572952731 /nfs/dbraw/zinc/95/27/31/572952731.db2.gz VXDYFDRJJWCPGY-LLVKDONJSA-N 0 0 182.311 2.560 10 30 AFEERN Cc1cc(C)c(C2(C=O)CC2)c(C)c1 58520726 572952658 /nfs/dbraw/zinc/95/26/58/572952658.db2.gz OARQHIOWTVMROB-UHFFFAOYSA-N 0 0 188.270 2.842 10 30 AFEERN Cc1cc(C)c(N[C@H](C)C#N)c(C)c1 58520754 572952704 /nfs/dbraw/zinc/95/27/04/572952704.db2.gz BIKZWEKTXQFVDT-LLVKDONJSA-N 0 0 188.274 2.936 10 30 AFEERN Cc1cccc(C)c1N[C@@H](C)C#N 58518663 572952919 /nfs/dbraw/zinc/95/29/19/572952919.db2.gz VSCWCMHMLSYCRN-JTQLQIEISA-N 0 0 174.247 2.627 10 30 AFEERN Cc1cc(C)c(NCC#N)c(C)c1 58518667 572953012 /nfs/dbraw/zinc/95/30/12/572953012.db2.gz JYVGPRGBEBRFEB-UHFFFAOYSA-N 0 0 174.247 2.547 10 30 AFEERN Cc1cc(C)c(N[C@@H](C)C#N)c(C)c1 58520752 572953156 /nfs/dbraw/zinc/95/31/56/572953156.db2.gz BIKZWEKTXQFVDT-NSHDSACASA-N 0 0 188.274 2.936 10 30 AFEERN COc1ccccc1CCCS 58520082 572953408 /nfs/dbraw/zinc/95/34/08/572953408.db2.gz IQBMCJILNOTHSR-UHFFFAOYSA-N 0 0 182.288 2.558 10 30 AFEERN C#CCCCCCCCOC(C)=O 238144162 572953482 /nfs/dbraw/zinc/95/34/82/572953482.db2.gz KDFMQFGIBOWXHL-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN C=C(C[C@H](O)C(C)(C)C)N=[N+]=[N-] 238146691 572954072 /nfs/dbraw/zinc/95/40/72/572954072.db2.gz WMGXVJOLGQKKCE-ZETCQYMHSA-N 0 0 169.228 2.608 10 30 AFEERN C#C[C@H](O)CCCCC=C(C)C 238144656 572954102 /nfs/dbraw/zinc/95/41/02/572954102.db2.gz JBRBSDFGODWYLN-NSHDSACASA-N 0 0 166.264 2.507 10 30 AFEERN C=C[C@@H](CCO)CCC=C(C)C 238148881 572954301 /nfs/dbraw/zinc/95/43/01/572954301.db2.gz PWTUUWJRNIBNLZ-LLVKDONJSA-N 0 0 168.280 2.917 10 30 AFEERN C=CC(C)(C)[C@H](O)CC=C(C)C 238154625 572955379 /nfs/dbraw/zinc/95/53/79/572955379.db2.gz LAVQSZCILQEENU-SNVBAGLBSA-N 0 0 168.280 2.916 10 30 AFEERN CC(C)=CCCCCCOCC=O 238144614 572954801 /nfs/dbraw/zinc/95/48/01/572954801.db2.gz LOEBHLIXIYRORM-UHFFFAOYSA-N 0 0 184.279 2.729 10 30 AFEERN CC(C)N[C@@H](C#N)CC1=CCCCC1 238154729 572955387 /nfs/dbraw/zinc/95/53/87/572955387.db2.gz BGNBRCCKONCKOU-GFCCVEGCSA-N 0 0 192.306 2.767 10 30 AFEERN C#C[C@@H](O)CCCCC=C(C)C 238144684 572955009 /nfs/dbraw/zinc/95/50/09/572955009.db2.gz JBRBSDFGODWYLN-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN CC(C)OCC[C@@]1(C=O)CC[C@H](C)C1 317383975 572955361 /nfs/dbraw/zinc/95/53/61/572955361.db2.gz XNRMDOXWDOBJDA-RYUDHWBXSA-N 0 0 198.306 2.807 10 30 AFEERN C=C(C)[C@](C)(CN=[N+]=[N-])N=[N+]=[N-] 238152816 572955430 /nfs/dbraw/zinc/95/54/30/572955430.db2.gz ILDABYHQJCVFSV-LURJTMIESA-N 0 0 166.188 2.942 10 30 AFEERN CC(C)CO[C@@H](C=O)c1ccccc1 238154174 572955432 /nfs/dbraw/zinc/95/54/32/572955432.db2.gz WVRKEXXKEBLLST-LBPRGKRZSA-N 0 0 192.258 2.599 10 30 AFEERN C=CC(C)(C)C(O)C(C)(C)C=C 238153004 572955491 /nfs/dbraw/zinc/95/54/91/572955491.db2.gz XIUFNODIWRFBFS-UHFFFAOYSA-N 0 0 168.280 2.772 10 30 AFEERN CC(C)COC1=C(C(C)C)C(=O)CC1 238149594 572955461 /nfs/dbraw/zinc/95/54/61/572955461.db2.gz YYQWDZDBPOAJJG-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCC(=O)C(C)(C)[C@H](O)CC(C)C 238150262 572955623 /nfs/dbraw/zinc/95/56/23/572955623.db2.gz SJBSCPWCJHDPTK-LLVKDONJSA-N 0 0 198.306 2.565 10 30 AFEERN CC(C)OCC[C@]1(C=O)CC[C@H](C)C1 317383973 572955641 /nfs/dbraw/zinc/95/56/41/572955641.db2.gz XNRMDOXWDOBJDA-NWDGAFQWSA-N 0 0 198.306 2.807 10 30 AFEERN CC(C)COC[C@@]1(C=O)CC=CCC1 238153129 572955712 /nfs/dbraw/zinc/95/57/12/572955712.db2.gz ROVVXFKXHMHIRG-LBPRGKRZSA-N 0 0 196.290 2.584 10 30 AFEERN C=CC(C)(C)[C@H](O)Cc1cccs1 238154364 572955729 /nfs/dbraw/zinc/95/57/29/572955729.db2.gz GBORZYYHYLWGEE-SNVBAGLBSA-N 0 0 196.315 2.864 10 30 AFEERN C#C[C@H](O)C[C@@H](C)CCCC(C)C 238149207 572955747 /nfs/dbraw/zinc/95/57/47/572955747.db2.gz KWGBWJDTNNZAHW-RYUDHWBXSA-N 0 0 182.307 2.833 10 30 AFEERN C=CC(C)(C)C(C)(C)/C=C/CO 238152919 572955825 /nfs/dbraw/zinc/95/58/25/572955825.db2.gz WJAFAJXPQMADMU-BQYQJAHWSA-N 0 0 168.280 2.773 10 30 AFEERN CC(C)(C)C(=O)/C=C/[C@H](O)C(C)(C)C 238149354 572955834 /nfs/dbraw/zinc/95/58/34/572955834.db2.gz RCNBDZZXLOIENL-FLOXNTQESA-N 0 0 198.306 2.565 10 30 AFEERN C=C(C)C(C)(C)[C@H](O)CC(C)C 238150281 572955904 /nfs/dbraw/zinc/95/59/04/572955904.db2.gz JTOUHNZVLFXDSE-SNVBAGLBSA-N 0 0 170.296 2.996 10 30 AFEERN C=CC[C@H](CO)CC=C(C)C 238154198 572955927 /nfs/dbraw/zinc/95/59/27/572955927.db2.gz AEHBLNIOBKLFRN-JTQLQIEISA-N 0 0 154.253 2.527 10 30 AFEERN C=CC(C)(C)[C@@H](O)Cc1cccs1 238153542 572956621 /nfs/dbraw/zinc/95/66/21/572956621.db2.gz GBORZYYHYLWGEE-JTQLQIEISA-N 0 0 196.315 2.864 10 30 AFEERN CC(C)COCC1(C=O)CCCCC1 238150215 572956019 /nfs/dbraw/zinc/95/60/19/572956019.db2.gz DNBBKYZDXKVJQL-UHFFFAOYSA-N 0 0 198.306 2.808 10 30 AFEERN C=C[C@H](CC=O)CC=C(C)C 238153960 572956030 /nfs/dbraw/zinc/95/60/30/572956030.db2.gz HKHHNHHYLNXXRY-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN C=C(C)[C@@H](CC=C(C)C)CNC(C)=O 238154112 572956105 /nfs/dbraw/zinc/95/61/05/572956105.db2.gz QLMIXEREHJLMHG-LBPRGKRZSA-N 0 0 195.306 2.671 10 30 AFEERN C#CC[C@H](CC=C(C)C)C(C)=O 238153855 572956133 /nfs/dbraw/zinc/95/61/33/572956133.db2.gz WDIQASCGFBAIDF-LLVKDONJSA-N 0 0 164.248 2.571 10 30 AFEERN CC(C)[C@H](C=O)COc1ccccc1 238153527 572956135 /nfs/dbraw/zinc/95/61/35/572956135.db2.gz UDGIQDUCSXAJIH-LLVKDONJSA-N 0 0 192.258 2.537 10 30 AFEERN C=CC[C@@H](NN)C1=CCCCCCC1 236289912 572956633 /nfs/dbraw/zinc/95/66/33/572956633.db2.gz PLEIKTUGFWSDBN-GFCCVEGCSA-N 0 0 194.322 2.675 10 30 AFEERN C#C[C@@H](O)C[C@@H](C)CCCC(C)C 238149296 572956328 /nfs/dbraw/zinc/95/63/28/572956328.db2.gz KWGBWJDTNNZAHW-NWDGAFQWSA-N 0 0 182.307 2.833 10 30 AFEERN CC(C)COC[C@]1(C=O)CC=CCC1 238152455 572956479 /nfs/dbraw/zinc/95/64/79/572956479.db2.gz ROVVXFKXHMHIRG-GFCCVEGCSA-N 0 0 196.290 2.584 10 30 AFEERN C=C(C)c1c(C)c(=O)[nH]c2ccccc12 238156118 572956724 /nfs/dbraw/zinc/95/67/24/572956724.db2.gz RZCIDBYFOOBLAY-UHFFFAOYSA-N 0 0 199.253 2.870 10 30 AFEERN C#CC[C@@H](CC=C(C)C)C(C)=O 238156676 572956771 /nfs/dbraw/zinc/95/67/71/572956771.db2.gz WDIQASCGFBAIDF-NSHDSACASA-N 0 0 164.248 2.571 10 30 AFEERN C=CC(C)(C)[C@@H](O)CC=C(C)C 238157168 572957053 /nfs/dbraw/zinc/95/70/53/572957053.db2.gz LAVQSZCILQEENU-JTQLQIEISA-N 0 0 168.280 2.916 10 30 AFEERN CC(C)(C=O)c1ccc2ccccc2n1 238157463 572957134 /nfs/dbraw/zinc/95/71/34/572957134.db2.gz YMOAFJPNTLDKES-UHFFFAOYSA-N 0 0 199.253 2.711 10 30 AFEERN C=C(C)[C@](F)(C=O)CC=C(C)C 238156098 572957146 /nfs/dbraw/zinc/95/71/46/572957146.db2.gz AEDCBNDZOSFOBN-SNVBAGLBSA-N 0 0 170.227 2.826 10 30 AFEERN CC(C)[C@@H](C=O)COc1ccccc1 238156436 572957489 /nfs/dbraw/zinc/95/74/89/572957489.db2.gz UDGIQDUCSXAJIH-NSHDSACASA-N 0 0 192.258 2.537 10 30 AFEERN C=C(C)[C@@](F)(CO)CC=C(C)C 238158186 572957551 /nfs/dbraw/zinc/95/75/51/572957551.db2.gz WNDMEBLYJIAPBS-JTQLQIEISA-N 0 0 172.243 2.619 10 30 AFEERN C=CCC(C)(C)[C@@H](O)/C=C/C1CC1 238163866 572958431 /nfs/dbraw/zinc/95/84/31/572958431.db2.gz JZGYRUYOVPYEEL-AEZGRPFRSA-N 0 0 180.291 2.916 10 30 AFEERN C=CCC[C@@H](O)CC=C(C)C 238157216 572957663 /nfs/dbraw/zinc/95/76/63/572957663.db2.gz SIUBPLRXLFOHGJ-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN C=CCc1cc(OC(C)C)ccc1O 238155356 572957689 /nfs/dbraw/zinc/95/76/89/572957689.db2.gz SPDULXZYGFDEIJ-UHFFFAOYSA-N 0 0 192.258 2.908 10 30 AFEERN CC(C)(C=O)c1nccc2ccccc12 238157421 572957776 /nfs/dbraw/zinc/95/77/76/572957776.db2.gz HLQPNQFKHCLXHH-UHFFFAOYSA-N 0 0 199.253 2.711 10 30 AFEERN C=C(C)[C@@](F)(C=O)CC=C(C)C 238158154 572957882 /nfs/dbraw/zinc/95/78/82/572957882.db2.gz AEDCBNDZOSFOBN-JTQLQIEISA-N 0 0 170.227 2.826 10 30 AFEERN C=C[C@@H](CC=O)CC=C(C)C 238156738 572957957 /nfs/dbraw/zinc/95/79/57/572957957.db2.gz HKHHNHHYLNXXRY-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN C=CC[C@@H](CO)CC=C(C)C 238156872 572957974 /nfs/dbraw/zinc/95/79/74/572957974.db2.gz AEHBLNIOBKLFRN-SNVBAGLBSA-N 0 0 154.253 2.527 10 30 AFEERN CC1=C2[C@@H](CC1)[C@H](C)CC[C@H]2C=O 208213931 572958034 /nfs/dbraw/zinc/95/80/34/572958034.db2.gz GPYDXUZTYMFYAZ-MIMYLULJSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@H](CC=C(C)C)CNC(C)=O 238156816 572958122 /nfs/dbraw/zinc/95/81/22/572958122.db2.gz QLMIXEREHJLMHG-GFCCVEGCSA-N 0 0 195.306 2.671 10 30 AFEERN CC(C)CO[C@H](C=O)c1ccccc1 238155746 572958247 /nfs/dbraw/zinc/95/82/47/572958247.db2.gz WVRKEXXKEBLLST-GFCCVEGCSA-N 0 0 192.258 2.599 10 30 AFEERN C=CCC(C)(C)C/C=C/CO 238163629 572958325 /nfs/dbraw/zinc/95/83/25/572958325.db2.gz YNLLCFAIHACORX-AATRIKPKSA-N 0 0 154.253 2.527 10 30 AFEERN C=CCC(C)(C)C[C@@H](O)C1CC1 238163566 572958410 /nfs/dbraw/zinc/95/84/10/572958410.db2.gz RVYBKWUXPOLPGX-SNVBAGLBSA-N 0 0 168.280 2.750 10 30 AFEERN C=CCC(C)(C)C[C@H](O)C1CC1 238163589 572958480 /nfs/dbraw/zinc/95/84/80/572958480.db2.gz RVYBKWUXPOLPGX-JTQLQIEISA-N 0 0 168.280 2.750 10 30 AFEERN C=CCC(C)(C)CC(=O)C1CC1 238163479 572958504 /nfs/dbraw/zinc/95/85/04/572958504.db2.gz NZCLUAMUXRSUPM-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C#C[C@](C)(CCCCO)C(C)(C)C 238163484 572958644 /nfs/dbraw/zinc/95/86/44/572958644.db2.gz OAYDGXUAORGILL-GFCCVEGCSA-N 0 0 182.307 2.835 10 30 AFEERN C=CCC(=O)C(C)(C)CC=C 238163308 572958667 /nfs/dbraw/zinc/95/86/67/572958667.db2.gz WOFQKVFVDUPOFS-UHFFFAOYSA-N 0 0 152.237 2.734 10 30 AFEERN C=CCC(C)(C)[C@H](O)/C=C/C1CC1 238164232 572958736 /nfs/dbraw/zinc/95/87/36/572958736.db2.gz JZGYRUYOVPYEEL-WSKFYRRCSA-N 0 0 180.291 2.916 10 30 AFEERN CC(=O)c1[nH]c2ccc(C#N)cc2c1C 238163386 572958714 /nfs/dbraw/zinc/95/87/14/572958714.db2.gz NUCNXCDWFROZQV-UHFFFAOYSA-N 0 0 198.225 2.551 10 30 AFEERN C=CCCC[C@H](C=C(C)C)CO 238168653 572958949 /nfs/dbraw/zinc/95/89/49/572958949.db2.gz OCRMGSGIJSSCOS-LLVKDONJSA-N 0 0 168.280 2.917 10 30 AFEERN CC(C)(C)[C@@H](CC=O)CCC#N 238167725 572958973 /nfs/dbraw/zinc/95/89/73/572958973.db2.gz WUPLCXMTBYXLRU-SECBINFHSA-N 0 0 167.252 2.541 10 30 AFEERN C=CCC(C)(C)/C=C/C=C/CO 238164487 572959122 /nfs/dbraw/zinc/95/91/22/572959122.db2.gz DIIYCFLVQACRPT-PDTNFJSOSA-N 0 0 166.264 2.693 10 30 AFEERN CC(C)c1nn(C)c2ccc(C#N)cc12 76190473 572959473 /nfs/dbraw/zinc/95/94/73/572959473.db2.gz BPBLZISBBHGKKX-UHFFFAOYSA-N 0 0 199.257 2.568 10 30 AFEERN C=CC(C)(C)CCC(=O)c1ncc[nH]1 238165502 572960016 /nfs/dbraw/zinc/96/00/16/572960016.db2.gz KLUZGKWFYBYRMZ-UHFFFAOYSA-N 0 0 192.262 2.585 10 30 AFEERN CC(C)(C)c1n[nH]c2ccc(C#N)cc12 76190465 572960188 /nfs/dbraw/zinc/96/01/88/572960188.db2.gz PTEWVKIHUFXUPJ-UHFFFAOYSA-N 0 0 199.257 2.732 10 30 AFEERN CC(C)=C[C@H](O)C(C)(C)CCC#N 238169082 572960513 /nfs/dbraw/zinc/96/05/13/572960513.db2.gz KKTHOQIVOCEMAA-JTQLQIEISA-N 0 0 181.279 2.643 10 30 AFEERN CC(C)(C)[C@@H](CC#N)CCC=O 238167786 572960552 /nfs/dbraw/zinc/96/05/52/572960552.db2.gz WMLRYZQRJANJDQ-SECBINFHSA-N 0 0 167.252 2.541 10 30 AFEERN C=CCC[C@@H]1CCC[C@H]1C(C)=O 238165316 572960612 /nfs/dbraw/zinc/96/06/12/572960612.db2.gz RJCGCPIOWDIXGA-MNOVXSKESA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@H]1CCC[C@H]1C(C)=O 238164782 572960690 /nfs/dbraw/zinc/96/06/90/572960690.db2.gz RJCGCPIOWDIXGA-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@H](CCO)C(C)(C)C 238168154 572961126 /nfs/dbraw/zinc/96/11/26/572961126.db2.gz QDKXBTHATGHTCD-VIFPVBQESA-N 0 0 156.269 2.607 10 30 AFEERN COC(C)(C)C(=O)C1=CCCCCC1 234644263 572961211 /nfs/dbraw/zinc/96/12/11/572961211.db2.gz CEPDHACVTLQITI-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN C=CCOc1ccsc1C 196721618 572961402 /nfs/dbraw/zinc/96/14/02/572961402.db2.gz MDEHBFOYBFEZIQ-UHFFFAOYSA-N 0 0 154.234 2.621 10 30 AFEERN CCC[C@H](C)CCC#N 51323568 572961613 /nfs/dbraw/zinc/96/16/13/572961613.db2.gz GPMVVCVSEPZSRE-QMMMGPOBSA-N 0 0 125.215 2.726 10 30 AFEERN O=CCC=C1C=CC(=O)c2ccccc21 379775501 572961642 /nfs/dbraw/zinc/96/16/42/572961642.db2.gz PKANFMYZVZDKCC-UIYSNZQUSA-N 0 0 198.221 2.894 10 30 AFEERN CC(C)c1ccccc1O[C@@H](C)C=O 238169392 572961682 /nfs/dbraw/zinc/96/16/82/572961682.db2.gz FPWDQSXDCOINQN-JTQLQIEISA-N 0 0 192.258 2.776 10 30 AFEERN Cc1nc2cccc(C#N)c2n1C(C)C 76210402 572962313 /nfs/dbraw/zinc/96/23/13/572962313.db2.gz LRGYEAVPAVEYCA-UHFFFAOYSA-N 0 0 199.257 2.797 10 30 AFEERN CC(C)(C)[C@H](CC=O)c1ccco1 238167664 572962335 /nfs/dbraw/zinc/96/23/35/572962335.db2.gz HAXCUGUPLDJDGS-SECBINFHSA-N 0 0 180.247 2.998 10 30 AFEERN Cc1nc2ccc(C#N)cc2n1C(C)C 76210184 572962617 /nfs/dbraw/zinc/96/26/17/572962617.db2.gz LXTBGYZJOAXBEY-UHFFFAOYSA-N 0 0 199.257 2.797 10 30 AFEERN Cc1nc2c(C#N)cccc2n1C(C)C 76210188 572962885 /nfs/dbraw/zinc/96/28/85/572962885.db2.gz QABKIHYVTJCFOV-UHFFFAOYSA-N 0 0 199.257 2.797 10 30 AFEERN CC(C)c1ccccc1O[C@H](C)C=O 238169564 572963007 /nfs/dbraw/zinc/96/30/07/572963007.db2.gz FPWDQSXDCOINQN-SNVBAGLBSA-N 0 0 192.258 2.776 10 30 AFEERN CC(C)c1nc2cccc(C#N)c2n1C 76211795 572963309 /nfs/dbraw/zinc/96/33/09/572963309.db2.gz VWILYGVGYDSOHS-UHFFFAOYSA-N 0 0 199.257 2.568 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H]1C[C@H]1CCC 393486598 572963424 /nfs/dbraw/zinc/96/34/24/572963424.db2.gz XRTFPXBTQLFYAD-OPRDCNLKSA-N 0 0 182.263 2.540 10 30 AFEERN CC(C)C[C@H](C)CC[C@@H]1O[C@@]1(C)C=O 238173320 572963632 /nfs/dbraw/zinc/96/36/32/572963632.db2.gz BBGXZAAEFYGHCV-WOPDTQHZSA-N 0 0 198.306 2.805 10 30 AFEERN N#CCCCCc1ccc(O)cc1 80344691 572964237 /nfs/dbraw/zinc/96/42/37/572964237.db2.gz OIDYVFFNWNQZOS-UHFFFAOYSA-N 0 0 175.231 2.629 10 30 AFEERN CC(C)C[C@H](C)CC[C@H]1O[C@@]1(C)C=O 238173347 572964872 /nfs/dbraw/zinc/96/48/72/572964872.db2.gz BBGXZAAEFYGHCV-UTUOFQBUSA-N 0 0 198.306 2.805 10 30 AFEERN CN/N=C/c1ccc(C(C)(C)C)cc1 59167156 572965708 /nfs/dbraw/zinc/96/57/08/572965708.db2.gz AONUPTBNNMNGAZ-NTEUORMPSA-N 0 0 190.290 2.537 10 30 AFEERN CC(C)C[C@H](C)C[C@@H](C)[C@@H](C#N)CO 238173511 572965240 /nfs/dbraw/zinc/96/52/40/572965240.db2.gz ZQMHGPRPHPIFBK-TUAOUCFPSA-N 0 0 197.322 2.827 10 30 AFEERN CCC#CCC/C=C/CCCO 238174722 572965944 /nfs/dbraw/zinc/96/59/44/572965944.db2.gz RLPDXCDRRDDKQC-BQYQJAHWSA-N 0 0 166.264 2.509 10 30 AFEERN Cc1ccccc1NN=Cc1ccc[nH]1 59159540 572966122 /nfs/dbraw/zinc/96/61/22/572966122.db2.gz IWVZHSKYDFZPBX-NTEUORMPSA-N 0 0 199.257 2.769 10 30 AFEERN C=CCCC(=O)CCC#CCC 238173813 572966549 /nfs/dbraw/zinc/96/65/49/572966549.db2.gz QJFXMVGNXFEVNQ-UHFFFAOYSA-N 0 0 164.248 2.715 10 30 AFEERN CC1(C)CC(=O)C=C(CCCC=O)C1 238178010 572967797 /nfs/dbraw/zinc/96/77/97/572967797.db2.gz RUNNPXBOHQILIK-UHFFFAOYSA-N 0 0 194.274 2.671 10 30 AFEERN C=C(C[C@@H](O)C(C)(C)C)N=[N+]=[N-] 238179033 572967581 /nfs/dbraw/zinc/96/75/81/572967581.db2.gz WMGXVJOLGQKKCE-SSDOTTSWSA-N 0 0 169.228 2.608 10 30 AFEERN CC(C)=[NH+]CCCCCCC(=O)[O-] 238175290 572968606 /nfs/dbraw/zinc/96/86/06/572968606.db2.gz SAMXKHCOQCOGFA-UHFFFAOYSA-N 0 0 185.267 2.502 10 30 AFEERN C=C(CF)P(=O)(OCC)OCC 59383393 572969090 /nfs/dbraw/zinc/96/90/90/572969090.db2.gz MQSCJZWEVAAAGW-UHFFFAOYSA-N 0 0 196.158 2.736 10 30 AFEERN C=C(CC)CC/C=C(/C)CO 238182443 572969181 /nfs/dbraw/zinc/96/91/81/572969181.db2.gz AIKJNESZOOGKDY-YFHOEESVSA-N 0 0 154.253 2.671 10 30 AFEERN C[C@@H](C#N)[C@]1(O)CCC(C)(C)C[C@@H]1C 88134037 572969337 /nfs/dbraw/zinc/96/93/37/572969337.db2.gz IOIXZIBUEDFXDT-NHCYSSNCSA-N 0 0 195.306 2.723 10 30 AFEERN C=C(CC)CC[C@@H](CO)C(=C)C 238182577 572969405 /nfs/dbraw/zinc/96/94/05/572969405.db2.gz LHYKAVMKANSFLG-NSHDSACASA-N 0 0 168.280 2.917 10 30 AFEERN CC(=O)O/N=C(\C)C1(C)CCCCC1 59383646 572969572 /nfs/dbraw/zinc/96/95/72/572969572.db2.gz LMPQEQDUZMUAQX-FMIVXFBMSA-N 0 0 197.278 2.896 10 30 AFEERN CC(C)c1nc([C@H](C)CC=O)cs1 238182452 572969795 /nfs/dbraw/zinc/96/97/95/572969795.db2.gz GDNLMCZJWFIQSU-MRVPVSSYSA-N 0 0 197.303 2.959 10 30 AFEERN C/C(=N\N=C(/C)C1CC1)C1CC1 59366303 572969798 /nfs/dbraw/zinc/96/97/98/572969798.db2.gz XLXGSRAIAOWWSF-MKICQXMISA-N 0 0 164.252 2.643 10 30 AFEERN C=C(CC)CC[C@H](O)C(=C)C 238182686 572969869 /nfs/dbraw/zinc/96/98/69/572969869.db2.gz BPNZNNZDBQYVNA-JTQLQIEISA-N 0 0 154.253 2.670 10 30 AFEERN C=C(CC)CC[C@@H](O)C(=C)C 238182632 572969935 /nfs/dbraw/zinc/96/99/35/572969935.db2.gz BPNZNNZDBQYVNA-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN CC(C)c1nc([C@@H](C)CC=O)cs1 238182412 572970024 /nfs/dbraw/zinc/97/00/24/572970024.db2.gz GDNLMCZJWFIQSU-QMMMGPOBSA-N 0 0 197.303 2.959 10 30 AFEERN C=C(CC)CC[C@H](CO)C(=C)C 238182651 572970400 /nfs/dbraw/zinc/97/04/00/572970400.db2.gz LHYKAVMKANSFLG-LLVKDONJSA-N 0 0 168.280 2.917 10 30 AFEERN C=C(CC)[C@@H](O)CCc1ccccc1 238183744 572971624 /nfs/dbraw/zinc/97/16/24/572971624.db2.gz JKDVMBPVMOITMO-ZDUSSCGKSA-N 0 0 190.286 2.946 10 30 AFEERN C#CCCOc1c(C)cc(C#N)cc1C 88153494 572970728 /nfs/dbraw/zinc/97/07/28/572970728.db2.gz ALQPFNQIEZBGPR-UHFFFAOYSA-N 0 0 199.253 2.577 10 30 AFEERN CCC(CC)OCC[C@@H](C)CC=O 238181282 572971919 /nfs/dbraw/zinc/97/19/19/572971919.db2.gz FDURZMRUGFLOCS-JTQLQIEISA-N 0 0 186.295 2.807 10 30 AFEERN N#Cc1cccc(/N=C/c2ccco2)c1 59457178 572970833 /nfs/dbraw/zinc/97/08/33/572970833.db2.gz OZIDWPSUWUFGOH-NTEUORMPSA-N 0 0 196.209 2.902 10 30 AFEERN C=C(CC[C@@H](C)C=O)C(C)C 238183814 572970839 /nfs/dbraw/zinc/97/08/39/572970839.db2.gz PSCGZYSWGXAYJL-SECBINFHSA-N 0 0 154.253 2.814 10 30 AFEERN CCC(CC)OCC[C@H](C)CC=O 238181348 572970999 /nfs/dbraw/zinc/97/09/99/572970999.db2.gz FDURZMRUGFLOCS-SNVBAGLBSA-N 0 0 186.295 2.807 10 30 AFEERN C=CCC[C@H](O)C(=C)C(C)C 238184386 572971155 /nfs/dbraw/zinc/97/11/55/572971155.db2.gz XAXSDMLFXPXFIR-JTQLQIEISA-N 0 0 154.253 2.526 10 30 AFEERN C=C(CC[C@H](C)C=O)C(C)C 238183907 572971312 /nfs/dbraw/zinc/97/13/12/572971312.db2.gz PSCGZYSWGXAYJL-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN C=C(CC)C(=O)C[C@@H](C)CCC=O 238181663 572971502 /nfs/dbraw/zinc/97/15/02/572971502.db2.gz LNDZMLVAYKNTPN-VIFPVBQESA-N 0 0 182.263 2.527 10 30 AFEERN C=C(CCC(=O)C1CC1)C(C)C 238183617 572971558 /nfs/dbraw/zinc/97/15/58/572971558.db2.gz AAVVZTYFPJMIFK-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC/C=C/CCO)C(C)C 238183997 572971597 /nfs/dbraw/zinc/97/15/97/572971597.db2.gz YBRDCBYWFYQRSC-SNAWJCMRSA-N 0 0 168.280 2.917 10 30 AFEERN CC(C)(C)C(=O)/C=C/[C@@H](O)C(C)(C)C 238181170 572971638 /nfs/dbraw/zinc/97/16/38/572971638.db2.gz RCNBDZZXLOIENL-FCZSHJHJSA-N 0 0 198.306 2.565 10 30 AFEERN C=C(CC)C(=O)C[C@H](C)CCC=O 238181680 572971660 /nfs/dbraw/zinc/97/16/60/572971660.db2.gz LNDZMLVAYKNTPN-SECBINFHSA-N 0 0 182.263 2.527 10 30 AFEERN C=C(CCCCC=O)C(=O)C(C)C 238186075 572971689 /nfs/dbraw/zinc/97/16/89/572971689.db2.gz DYJGMASILZVLFR-UHFFFAOYSA-N 0 0 182.263 2.527 10 30 AFEERN C=C[C@@H](C)C[C@@H](O)C(=C)C(C)C 238184857 572972283 /nfs/dbraw/zinc/97/22/83/572972283.db2.gz NTZMKVVZEBSTLE-MWLCHTKSSA-N 0 0 168.280 2.772 10 30 AFEERN C=CCC[C@@H](O)C(=C)C(C)C 238184794 572972343 /nfs/dbraw/zinc/97/23/43/572972343.db2.gz XAXSDMLFXPXFIR-SNVBAGLBSA-N 0 0 154.253 2.526 10 30 AFEERN CC[C@H](CC#N)N1CC(CC)(CC)C1 86681494 572972368 /nfs/dbraw/zinc/97/23/68/572972368.db2.gz RFEVQGGWCFIRQD-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN N#Cc1ccccc1/N=C/c1ccco1 59502774 572974312 /nfs/dbraw/zinc/97/43/12/572974312.db2.gz OKOJKYWBXZDMDA-NTEUORMPSA-N 0 0 196.209 2.902 10 30 AFEERN Cc1ccc(C)n1CCCCC#N 86681674 572972678 /nfs/dbraw/zinc/97/26/78/572972678.db2.gz JPHOEEANEHLCMC-UHFFFAOYSA-N 0 0 176.263 2.799 10 30 AFEERN C=C(CC)[C@H](O)CCc1ccccc1 238184765 572972834 /nfs/dbraw/zinc/97/28/34/572972834.db2.gz JKDVMBPVMOITMO-CYBMUJFWSA-N 0 0 190.286 2.946 10 30 AFEERN C=CC[C@@H](O)c1ccnc2ccccc12 86712807 572972888 /nfs/dbraw/zinc/97/28/88/572972888.db2.gz DRHCKFSQXZFJMG-CYBMUJFWSA-N 0 0 199.253 2.844 10 30 AFEERN C=C[C@H](C)C[C@@H](O)C(=C)C(C)C 238184840 572972961 /nfs/dbraw/zinc/97/29/61/572972961.db2.gz NTZMKVVZEBSTLE-GXSJLCMTSA-N 0 0 168.280 2.772 10 30 AFEERN CC[C@@H](CC#N)N1CC(CC)(CC)C1 86681487 572973032 /nfs/dbraw/zinc/97/30/32/572973032.db2.gz RFEVQGGWCFIRQD-NSHDSACASA-N 0 0 194.322 2.801 10 30 AFEERN C=CC[C@H](O)c1ccccc1OCC 86712692 572973200 /nfs/dbraw/zinc/97/32/00/572973200.db2.gz HSNSQGWSGPTXAT-NSHDSACASA-N 0 0 192.258 2.695 10 30 AFEERN C=C(C(C)C)[C@@H](O)Cc1ccccc1 238184486 572973361 /nfs/dbraw/zinc/97/33/61/572973361.db2.gz UXWOVVMHILEDKP-ZDUSSCGKSA-N 0 0 190.286 2.802 10 30 AFEERN C=CC[C@H](O)c1ccc(CC)s1 86712828 572973409 /nfs/dbraw/zinc/97/34/09/572973409.db2.gz LOZGGAHPVIGGSF-VIFPVBQESA-N 0 0 182.288 2.920 10 30 AFEERN C=CC[C@H](O)c1ccnc2ccccc12 86712806 572973415 /nfs/dbraw/zinc/97/34/15/572973415.db2.gz DRHCKFSQXZFJMG-ZDUSSCGKSA-N 0 0 199.253 2.844 10 30 AFEERN C=CC[C@@](O)(CC)c1ccccc1 86712588 572973449 /nfs/dbraw/zinc/97/34/49/572973449.db2.gz KCUCWBRWJXLGPV-LBPRGKRZSA-N 0 0 176.259 2.860 10 30 AFEERN N#Cc1ccc(/N=C/c2ccco2)cc1 59518583 572974345 /nfs/dbraw/zinc/97/43/45/572974345.db2.gz BXOUMJJCNMQXAU-NTEUORMPSA-N 0 0 196.209 2.902 10 30 AFEERN C=CC[C@@H](O)c1ccc(CC)s1 86712826 572973873 /nfs/dbraw/zinc/97/38/73/572973873.db2.gz LOZGGAHPVIGGSF-SECBINFHSA-N 0 0 182.288 2.920 10 30 AFEERN C=CC[C@@H](O)c1ccccc1OCC 86712689 572973886 /nfs/dbraw/zinc/97/38/86/572973886.db2.gz HSNSQGWSGPTXAT-LLVKDONJSA-N 0 0 192.258 2.695 10 30 AFEERN CCCCCCCO[C@@H](C)C(C)=O 59526146 572973957 /nfs/dbraw/zinc/97/39/57/572973957.db2.gz ZYDNNPMIXDHUNJ-NSHDSACASA-N 0 0 186.295 2.951 10 30 AFEERN Cc1ccc(/C=N/c2ccccn2)o1 59513686 572974774 /nfs/dbraw/zinc/97/47/74/572974774.db2.gz YAVVLSMAMFNSGY-MDWZMJQESA-N 0 0 186.214 2.734 10 30 AFEERN C=C/C=C\CC[C@]1(C#N)CCCCN1 713665148 572974260 /nfs/dbraw/zinc/97/42/60/572974260.db2.gz QMCVSUYSTOAASR-VSQXVHSFSA-N 0 0 190.290 2.545 10 30 AFEERN CC(C)C(=O)C(C)(C)CCC#N 238186923 572974432 /nfs/dbraw/zinc/97/44/32/572974432.db2.gz RNOBQZCLMZEFCG-UHFFFAOYSA-N 0 0 167.252 2.541 10 30 AFEERN C=C/C=C/CC[C@]1(C#N)CCCCN1 713665132 572974445 /nfs/dbraw/zinc/97/44/45/572974445.db2.gz QMCVSUYSTOAASR-AAOUONPWSA-N 0 0 190.290 2.545 10 30 AFEERN C=C/C=C/CC[C@@]1(C#N)CCCCN1 713665140 572974798 /nfs/dbraw/zinc/97/47/98/572974798.db2.gz QMCVSUYSTOAASR-PCAWENJQSA-N 0 0 190.290 2.545 10 30 AFEERN C=C[C@H](C)C[C@H](O)C(CC)CC 238186945 572974956 /nfs/dbraw/zinc/97/49/56/572974956.db2.gz MPWQRSNWJVUALI-ONGXEEELSA-N 0 0 170.296 2.996 10 30 AFEERN CCCCCC/C=C/C#CCCO 238187506 572975625 /nfs/dbraw/zinc/97/56/25/572975625.db2.gz WZHUOODYSPXSFH-BQYQJAHWSA-N 0 0 180.291 2.899 10 30 AFEERN CC1=CC(=O)C[C@@H]2[C@H](C1)C2(C)C 207557387 572975875 /nfs/dbraw/zinc/97/58/75/572975875.db2.gz XVXICGHYBCMQNM-VHSXEESVSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@H](CC#N)C(=O)C1CCCCC1 51690007 572976204 /nfs/dbraw/zinc/97/62/04/572976204.db2.gz SJOWRRBTWBGSLQ-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN C=C[C@H](O)CC#C/C=C/CCCC 238190190 572976974 /nfs/dbraw/zinc/97/69/74/572976974.db2.gz IOLXBQIXSVSITH-GUOLPTJISA-N 0 0 178.275 2.673 10 30 AFEERN C[C@H](C#N)CC(=O)C1CCCCC1 51690008 572976460 /nfs/dbraw/zinc/97/64/60/572976460.db2.gz XTLVKONURVTESZ-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN CC1=CC(=O)C[C@@H]2[C@@H](C1)C2(C)C 207557344 572976521 /nfs/dbraw/zinc/97/65/21/572976521.db2.gz XVXICGHYBCMQNM-NXEZZACHSA-N 0 0 164.248 2.568 10 30 AFEERN CCCCCC/C=C/NC(=O)OC 238188021 572976542 /nfs/dbraw/zinc/97/65/42/572976542.db2.gz SKBDUNJAKCVGCB-CMDGGOBGSA-N 0 0 185.267 2.827 10 30 AFEERN CCC/C(C)=C/CCC#CCO 238187783 572976545 /nfs/dbraw/zinc/97/65/45/572976545.db2.gz FCWYHLOZDUFBSH-PKNBQFBNSA-N 0 0 166.264 2.509 10 30 AFEERN CCON=C1CC[C@H](C(C)C)C1 393480264 572976651 /nfs/dbraw/zinc/97/66/51/572976651.db2.gz UNZYAJIIWNGXHZ-VIFPVBQESA-N 0 0 169.268 2.835 10 30 AFEERN CC1=CC(=O)C[C@H]2[C@H](C1)C2(C)C 207557427 572976827 /nfs/dbraw/zinc/97/68/27/572976827.db2.gz XVXICGHYBCMQNM-UWVGGRQHSA-N 0 0 164.248 2.568 10 30 AFEERN CCON=C1CC[C@@H](C(C)C)C1 393480263 572976905 /nfs/dbraw/zinc/97/69/05/572976905.db2.gz UNZYAJIIWNGXHZ-SECBINFHSA-N 0 0 169.268 2.835 10 30 AFEERN CCCCCC1=C(CC)[C@H](O)CC1=O 238189426 572977126 /nfs/dbraw/zinc/97/71/26/572977126.db2.gz QCHUXBGRIYOQBR-LLVKDONJSA-N 0 0 196.290 2.607 10 30 AFEERN C=C(C)NC(=O)OCCCCCC 238191234 572977223 /nfs/dbraw/zinc/97/72/23/572977223.db2.gz SONDLFBXTXEWHX-UHFFFAOYSA-N 0 0 185.267 2.827 10 30 AFEERN CCCCCC1=C[C@@H](F)CC1=O 238190186 572977288 /nfs/dbraw/zinc/97/72/88/572977288.db2.gz CVPVBSLURNHJAS-SECBINFHSA-N 0 0 170.227 2.804 10 30 AFEERN C=C(C)[C@@H](CO)C(CC)CC 238191354 572977298 /nfs/dbraw/zinc/97/72/98/572977298.db2.gz YWQRMQBBJFAMKU-SNVBAGLBSA-N 0 0 156.269 2.607 10 30 AFEERN CCCCCC1=C[C@H](F)CC1=O 238190346 572977460 /nfs/dbraw/zinc/97/74/60/572977460.db2.gz CVPVBSLURNHJAS-VIFPVBQESA-N 0 0 170.227 2.804 10 30 AFEERN CCCC/C=C(/C)C#CCCO 238189164 572977650 /nfs/dbraw/zinc/97/76/50/572977650.db2.gz FSSQDLKINIEWSI-FLIBITNWSA-N 0 0 166.264 2.509 10 30 AFEERN C=C[C@@H](O)CC#C/C=C/CCCC 238190224 572977697 /nfs/dbraw/zinc/97/76/97/572977697.db2.gz IOLXBQIXSVSITH-ABZNLYFFSA-N 0 0 178.275 2.673 10 30 AFEERN CCCCCC1(C=O)CCC1 238188728 572977724 /nfs/dbraw/zinc/97/77/24/572977724.db2.gz CXTNVCBUTLUNSE-UHFFFAOYSA-N 0 0 154.253 2.936 10 30 AFEERN CCCC/C(=C\Cl)C(C)=O 238188529 572977817 /nfs/dbraw/zinc/97/78/17/572977817.db2.gz JSBAPXWNTRXJBH-SOFGYWHQSA-N 0 0 160.644 2.888 10 30 AFEERN C=C[C@@H](/C=C/CCCC)CO 238192165 572977935 /nfs/dbraw/zinc/97/79/35/572977935.db2.gz UYFREFIDEGUMKU-JARNTUPDSA-N 0 0 154.253 2.527 10 30 AFEERN CC(C)C(=O)CCC[C@H](C)C#N 238189163 572977969 /nfs/dbraw/zinc/97/79/69/572977969.db2.gz OBQHSSAQIGFXFT-VIFPVBQESA-N 0 0 167.252 2.541 10 30 AFEERN C=C(C#CCCCCCC)CCO 238192134 572978083 /nfs/dbraw/zinc/97/80/83/572978083.db2.gz IKGBSLYQVFEEAE-UHFFFAOYSA-N 0 0 180.291 2.899 10 30 AFEERN CCCC/C=C/CCC#CCO 238190990 572978209 /nfs/dbraw/zinc/97/82/09/572978209.db2.gz OCKOIHMXMQWPMD-AATRIKPKSA-N 0 0 166.264 2.509 10 30 AFEERN CCCCCC1=C(CC)[C@@H](O)CC1=O 238189406 572978245 /nfs/dbraw/zinc/97/82/45/572978245.db2.gz QCHUXBGRIYOQBR-NSHDSACASA-N 0 0 196.290 2.607 10 30 AFEERN C[C@@H]1CC(=O)C=CC12CCCC2 196580865 572978300 /nfs/dbraw/zinc/97/83/00/572978300.db2.gz HZKNSESKXQEADD-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H]1CC(=O)C=CC12CCCC2 196580870 572978306 /nfs/dbraw/zinc/97/83/06/572978306.db2.gz HZKNSESKXQEADD-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN CCOc1ncc2ccccc2c1C#N 196146661 572978319 /nfs/dbraw/zinc/97/83/19/572978319.db2.gz BISMTQLWBYBGRQ-UHFFFAOYSA-N 0 0 198.225 2.505 10 30 AFEERN CCCCCCC#CC#CCCCO 238192061 572978434 /nfs/dbraw/zinc/97/84/34/572978434.db2.gz BOFWZLPNMQFRAK-UHFFFAOYSA-N 0 0 192.302 2.736 10 30 AFEERN CCCCCCC#C[C@@H](C)CO 238193037 572978506 /nfs/dbraw/zinc/97/85/06/572978506.db2.gz VMCPXJHNRFKALN-LLVKDONJSA-N 0 0 168.280 2.589 10 30 AFEERN CCCC/C=N/[C@H](CC(C)C)C(=O)[O-] 238194887 572978583 /nfs/dbraw/zinc/97/85/83/572978583.db2.gz ZKXWMIORQLHLJI-CEXMDJMXSA-N 0 0 199.294 2.747 10 30 AFEERN CCCCCCC#C[C@H](C)CO 238193680 572979005 /nfs/dbraw/zinc/97/90/05/572979005.db2.gz VMCPXJHNRFKALN-NSHDSACASA-N 0 0 168.280 2.589 10 30 AFEERN C=C[C@@H](C#CCCCCCC)CO 238193120 572978606 /nfs/dbraw/zinc/97/86/06/572978606.db2.gz SHNSWTPQRZDLDG-LBPRGKRZSA-N 0 0 180.291 2.755 10 30 AFEERN C=C[C@H](C)C[C@@H](O)C(CC)CC 238192447 572978883 /nfs/dbraw/zinc/97/88/83/572978883.db2.gz MPWQRSNWJVUALI-GXSJLCMTSA-N 0 0 170.296 2.996 10 30 AFEERN CCCC/C=C/[C@@H](C=O)[C@@H]1CCCO1 238192099 572978892 /nfs/dbraw/zinc/97/88/92/572978892.db2.gz PNAUQFJTTOIZIK-YILIYONBSA-N 0 0 196.290 2.727 10 30 AFEERN CCc1cccc(C#N)c1CC 59672150 572979018 /nfs/dbraw/zinc/97/90/18/572979018.db2.gz QSXUVYSXZOBEBL-UHFFFAOYSA-N 0 0 159.232 2.683 10 30 AFEERN CCCCCCC#C[C@](C)(C=O)OC 238193633 572979109 /nfs/dbraw/zinc/97/91/09/572979109.db2.gz JRMKLXHPSORNAT-GFCCVEGCSA-N 0 0 196.290 2.564 10 30 AFEERN C=CC[C@H](C[C@@H]1CC1=C)C(C)=O 238192794 572979135 /nfs/dbraw/zinc/97/91/35/572979135.db2.gz OVXJWXZKSFLKIU-MNOVXSKESA-N 0 0 164.248 2.734 10 30 AFEERN CCCC/C=N/[C@@H](CC(C)C)C(=O)[O-] 238194852 572979188 /nfs/dbraw/zinc/97/91/88/572979188.db2.gz ZKXWMIORQLHLJI-QVIVLVACSA-N 0 0 199.294 2.747 10 30 AFEERN CCC(CC)[C@H](S)CC(C)=O 238192835 572979461 /nfs/dbraw/zinc/97/94/61/572979461.db2.gz CXZHQNXUGYYZLO-SECBINFHSA-N 0 0 174.309 2.700 10 30 AFEERN CCCC/C=C/[C@H](C=O)[C@@H]1CCCO1 238193364 572979508 /nfs/dbraw/zinc/97/95/08/572979508.db2.gz PNAUQFJTTOIZIK-BAEOLTKYSA-N 0 0 196.290 2.727 10 30 AFEERN C=C(CCO)CCCCCC 238194736 572979519 /nfs/dbraw/zinc/97/95/19/572979519.db2.gz VRJUJRWAIIRJAW-UHFFFAOYSA-N 0 0 156.269 2.895 10 30 AFEERN C=C[C@H](C#CCCCCCC)CO 238193740 572979565 /nfs/dbraw/zinc/97/95/65/572979565.db2.gz SHNSWTPQRZDLDG-GFCCVEGCSA-N 0 0 180.291 2.755 10 30 AFEERN C=CC[C@H](C[C@H]1CC1=C)C(C)=O 238192805 572979606 /nfs/dbraw/zinc/97/96/06/572979606.db2.gz OVXJWXZKSFLKIU-GHMZBOCLSA-N 0 0 164.248 2.734 10 30 AFEERN CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC=O 200068985 572979738 /nfs/dbraw/zinc/97/97/38/572979738.db2.gz MSAXZGLMNZDDQN-WZQADMAKSA-N 0 0 194.274 2.527 10 30 AFEERN C=C[C@@H](C)Nc1ccc(F)cc1OC 234961322 572979783 /nfs/dbraw/zinc/97/97/83/572979783.db2.gz DOZDLYACQHCXMW-MRVPVSSYSA-N 0 0 195.237 2.821 10 30 AFEERN CCCC/C=C/[C@H](C=O)[C@H]1CCCO1 238193377 572979819 /nfs/dbraw/zinc/97/98/19/572979819.db2.gz PNAUQFJTTOIZIK-ONYUAGEFSA-N 0 0 196.290 2.727 10 30 AFEERN CC(C)(C)c1csc(CCC=O)n1 86828935 572983681 /nfs/dbraw/zinc/98/36/81/572983681.db2.gz NZGIAVQEADZYIC-UHFFFAOYSA-N 0 0 197.303 2.572 10 30 AFEERN C#CCCC[C@@H]([NH3+])c1ccoc1Cl 236312786 572986527 /nfs/dbraw/zinc/98/65/27/572986527.db2.gz GQWMZKMYNFKQTC-SECBINFHSA-N 0 0 197.665 2.736 10 30 AFEERN C=CCSc1ccc(N)cc1OC 86829539 572984365 /nfs/dbraw/zinc/98/43/65/572984365.db2.gz JSRQYYCHWFPHOE-UHFFFAOYSA-N 0 0 195.287 2.556 10 30 AFEERN C=CCC[C@@H]([NH3+])c1ccoc1Cl 236312229 572985199 /nfs/dbraw/zinc/98/51/99/572985199.db2.gz QFCFPSSAMKPQQK-MRVPVSSYSA-N 0 0 185.654 2.899 10 30 AFEERN C=CCC[C@@H]([NH3+])c1ncccc1Cl 236312269 572986618 /nfs/dbraw/zinc/98/66/18/572986618.db2.gz JRZVEQWIRFZONO-SECBINFHSA-N 0 0 196.681 2.701 10 30 AFEERN Cn1cc(CS)c2cccc(F)c21 257921654 572992708 /nfs/dbraw/zinc/99/27/08/572992708.db2.gz RMQBWKVUXXTQKR-UHFFFAOYSA-N 0 0 195.262 2.747 10 30 AFEERN CC[C@H](C)SC[C@H](C#N)CCC#N 308216834 572993934 /nfs/dbraw/zinc/99/39/34/572993934.db2.gz JRJIXWMTTWWSRK-UWVGGRQHSA-N 0 0 196.319 2.962 10 30 AFEERN CC(C)C[C@@H](C)OCCC[C@H]1CO1 308216752 572992441 /nfs/dbraw/zinc/99/24/41/572992441.db2.gz AMWDDSWIPMNHCG-MNOVXSKESA-N 0 0 186.295 2.617 10 30 AFEERN CC(C)C[C@@H](C)OCCC[C@@H]1CO1 308216749 572992455 /nfs/dbraw/zinc/99/24/55/572992455.db2.gz AMWDDSWIPMNHCG-GHMZBOCLSA-N 0 0 186.295 2.617 10 30 AFEERN CCN(C)N=C[C@H]1CCC[C@H](C)C1 308216393 572992487 /nfs/dbraw/zinc/99/24/87/572992487.db2.gz JPXWJUCOGAJUMT-QWRGUYRKSA-N 0 0 182.311 2.750 10 30 AFEERN Oc1ccc2occ(CS)c2c1 257917377 572992642 /nfs/dbraw/zinc/99/26/42/572992642.db2.gz CQIFFEFLCJQHFY-UHFFFAOYSA-N 0 0 180.228 2.568 10 30 AFEERN O=CC[C@@H]1CSc2ccc(F)cc21 258208156 572992648 /nfs/dbraw/zinc/99/26/48/572992648.db2.gz VBNLOJWWADBSFU-SSDOTTSWSA-N 0 0 196.246 2.604 10 30 AFEERN C[C@H](CC=O)c1ccc2cnccc2c1 258208269 572992783 /nfs/dbraw/zinc/99/27/83/572992783.db2.gz TXIBRQRAXINIIT-SNVBAGLBSA-N 0 0 199.253 2.927 10 30 AFEERN CCN(C)N=C[C@@H]1CCC[C@H](C)C1 308216394 572992923 /nfs/dbraw/zinc/99/29/23/572992923.db2.gz JPXWJUCOGAJUMT-WDEREUQCSA-N 0 0 182.311 2.750 10 30 AFEERN Cc1cc(C#N)cc(C(C)(C)C)c1O 258207392 572992990 /nfs/dbraw/zinc/99/29/90/572992990.db2.gz YYMNUMRYSMZQGZ-UHFFFAOYSA-N 0 0 189.258 2.870 10 30 AFEERN C[C@@H](CC=O)c1cccc2ocnc12 258205266 572993081 /nfs/dbraw/zinc/99/30/81/572993081.db2.gz YVKJNSHWXPTSSE-QMMMGPOBSA-N 0 0 189.214 2.520 10 30 AFEERN CSc1cc(CC#N)ccc1C 257917340 572993439 /nfs/dbraw/zinc/99/34/39/572993439.db2.gz BRYHUPJISSWAGY-UHFFFAOYSA-N 0 0 177.272 2.783 10 30 AFEERN Cc1occc1S[C@H](C)CC#N 235435067 572993486 /nfs/dbraw/zinc/99/34/86/572993486.db2.gz GMFZKKRCFJQOJA-SSDOTTSWSA-N 0 0 181.260 2.982 10 30 AFEERN N#CCCCc1cccc(F)c1 104526818 572993496 /nfs/dbraw/zinc/99/34/96/572993496.db2.gz MEFSSBMOSBMSOQ-UHFFFAOYSA-N 0 0 163.195 2.672 10 30 AFEERN CC[C@@H](C)SC[C@@H](C#N)CCC#N 308216832 572993537 /nfs/dbraw/zinc/99/35/37/572993537.db2.gz JRJIXWMTTWWSRK-NXEZZACHSA-N 0 0 196.319 2.962 10 30 AFEERN COc1c(C)ccc(C(C)C)c1C#N 258207577 572993543 /nfs/dbraw/zinc/99/35/43/572993543.db2.gz ZCMOYTGNCXMPCU-UHFFFAOYSA-N 0 0 189.258 2.999 10 30 AFEERN Cc1nc(S[C@H](C)CC#N)oc1C 235435118 572993632 /nfs/dbraw/zinc/99/36/32/572993632.db2.gz IDEVFCNVHMUAQR-ZCFIWIBFSA-N 0 0 196.275 2.686 10 30 AFEERN Cc1coc2ccc(CCC=O)cc12 258207344 572993872 /nfs/dbraw/zinc/99/38/72/572993872.db2.gz YXBUEWCLVLXKSS-UHFFFAOYSA-N 0 0 188.226 2.873 10 30 AFEERN N#CCCc1cc(F)cc(F)c1F 104526853 572993984 /nfs/dbraw/zinc/99/39/84/572993984.db2.gz PJBAHYJISCZJIS-UHFFFAOYSA-N 0 0 185.148 2.560 10 30 AFEERN C[C@@H](CC=O)c1ccc2cnccc2c1 258208266 572994238 /nfs/dbraw/zinc/99/42/38/572994238.db2.gz TXIBRQRAXINIIT-JTQLQIEISA-N 0 0 199.253 2.927 10 30 AFEERN N#CCCc1cc(F)c(F)c(F)c1 104527191 572994376 /nfs/dbraw/zinc/99/43/76/572994376.db2.gz NXRZSTVKPLASBO-UHFFFAOYSA-N 0 0 185.148 2.560 10 30 AFEERN N#CCCc1c(F)ccc(F)c1F 104526857 572994402 /nfs/dbraw/zinc/99/44/02/572994402.db2.gz RILBXWFXGDPWKQ-UHFFFAOYSA-N 0 0 185.148 2.560 10 30 AFEERN CC1(Nc2cccc(C#N)c2)CCC1 227629757 572994407 /nfs/dbraw/zinc/99/44/07/572994407.db2.gz POLNKTRRJATNII-UHFFFAOYSA-N 0 0 186.258 2.913 10 30 AFEERN CCc1cccc([C@@](C)(F)C=O)c1 257917017 572994507 /nfs/dbraw/zinc/99/45/07/572994507.db2.gz QZTXVIURDHGNFY-NSHDSACASA-N 0 0 180.222 2.633 10 30 AFEERN N#CCCCc1c(F)ccc(F)c1F 104530599 572994655 /nfs/dbraw/zinc/99/46/55/572994655.db2.gz VZEZNTYKAFWOJD-UHFFFAOYSA-N 0 0 199.175 2.950 10 30 AFEERN C[C@H](CC=O)c1cccc2ocnc12 258205263 572994706 /nfs/dbraw/zinc/99/47/06/572994706.db2.gz YVKJNSHWXPTSSE-MRVPVSSYSA-N 0 0 189.214 2.520 10 30 AFEERN Cc1cc([C@H](C)CC=O)cc(O)c1F 258207423 572995036 /nfs/dbraw/zinc/99/50/36/572995036.db2.gz YZEDKORUNRJBJM-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN CCc1nc(C(C)C)sc1C#N 82422531 572994914 /nfs/dbraw/zinc/99/49/14/572994914.db2.gz SGFJJNIVOLBFJP-UHFFFAOYSA-N 0 0 180.276 2.701 10 30 AFEERN N#CCCc1c(F)cc(F)cc1F 104527205 572995115 /nfs/dbraw/zinc/99/51/15/572995115.db2.gz JHCXQMVQOBCDCN-UHFFFAOYSA-N 0 0 185.148 2.560 10 30 AFEERN Cc1cc([C@@H](C)CC=O)cc(O)c1F 258207425 572995134 /nfs/dbraw/zinc/99/51/34/572995134.db2.gz YZEDKORUNRJBJM-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN N#CCCCc1c(F)cc(F)cc1F 104530999 572995188 /nfs/dbraw/zinc/99/51/88/572995188.db2.gz YIWXBLLPIBYCMN-UHFFFAOYSA-N 0 0 199.175 2.950 10 30 AFEERN ON=C1[C@H]2C[C@H]3C[C@@H]1C[C@](Cl)(C3)C2 104528658 572995354 /nfs/dbraw/zinc/99/53/54/572995354.db2.gz BJWBCUUPRKHFDD-XYYXLIQBSA-N 0 0 199.681 2.634 10 30 AFEERN CSc1[nH]c(C(C)(C)C)cc1C#N 113288429 572995311 /nfs/dbraw/zinc/99/53/11/572995311.db2.gz ICFYTIMULWNXQX-UHFFFAOYSA-N 0 0 194.303 2.906 10 30 AFEERN C=C1CCC(=O)[C@H]1[C@H]1CC1(C)C 238240753 572995317 /nfs/dbraw/zinc/99/53/17/572995317.db2.gz LIBGUSRIVQIMGK-PSASIEDQSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1C=CC(=C)[C@@H](CCC)[C@@H]1C=O 238240547 572995324 /nfs/dbraw/zinc/99/53/24/572995324.db2.gz GMTTYLFYTZVARI-VXGBXAGGSA-N 0 0 176.259 2.900 10 30 AFEERN O=CC[C@H]1CSc2ccc(F)cc21 258208158 572995338 /nfs/dbraw/zinc/99/53/38/572995338.db2.gz VBNLOJWWADBSFU-ZETCQYMHSA-N 0 0 196.246 2.604 10 30 AFEERN C[C@H](S)c1ccc2ncoc2c1 259302059 572995370 /nfs/dbraw/zinc/99/53/70/572995370.db2.gz QULSKYJPJGMWOP-LURJTMIESA-N 0 0 179.244 2.819 10 30 AFEERN C=C1CCC(=O)[C@@H]1[C@H]1CC1(C)C 238240703 572995376 /nfs/dbraw/zinc/99/53/76/572995376.db2.gz LIBGUSRIVQIMGK-SCZZXKLOSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(O)cc(C)c1[C@@H](C)CC=O 258205360 572995549 /nfs/dbraw/zinc/99/55/49/572995549.db2.gz YWLMPBREFZZJHR-QMMMGPOBSA-N 0 0 192.258 2.702 10 30 AFEERN CC=C=CC(=O)c1ccccc1 238241050 572995602 /nfs/dbraw/zinc/99/56/02/572995602.db2.gz TXFUVHSIRPAYQK-UHFFFAOYSA-N 0 0 158.200 2.601 10 30 AFEERN C#Cc1cccc(C2(C)CC2)c1 238241953 572995624 /nfs/dbraw/zinc/99/56/24/572995624.db2.gz AQAXCKQUUOEIKJ-UHFFFAOYSA-N 0 0 156.228 2.719 10 30 AFEERN O=CCc1coc2c(Cl)cccc12 258205859 572995904 /nfs/dbraw/zinc/99/59/04/572995904.db2.gz OMPKZJQQUSTDCC-UHFFFAOYSA-N 0 0 194.617 2.828 10 30 AFEERN N#CCCCc1cc(F)cc(F)c1F 104530594 572996587 /nfs/dbraw/zinc/99/65/87/572996587.db2.gz VVNYKFDZIZCFRM-UHFFFAOYSA-N 0 0 199.175 2.950 10 30 AFEERN CC1=CC[C@]2(CC=CC2=O)CC1 238240993 572996611 /nfs/dbraw/zinc/99/66/11/572996611.db2.gz SJASRYVHCORRSZ-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C=CCCC[C@@H](O)C[C@@H]1CCCCO1 128322349 572997128 /nfs/dbraw/zinc/99/71/28/572997128.db2.gz AVKFLKAZSVPPCP-NEPJUHHUSA-N 0 0 198.306 2.663 10 30 AFEERN CCc1cccc([C@](C)(F)C=O)c1 257917014 572996741 /nfs/dbraw/zinc/99/67/41/572996741.db2.gz QZTXVIURDHGNFY-LLVKDONJSA-N 0 0 180.222 2.633 10 30 AFEERN C=C1C[C@@H]2CC(C)(C)CC(=O)[C@@H]12 238240962 572996893 /nfs/dbraw/zinc/99/68/93/572996893.db2.gz ZPDIYQFBLUTZQV-SCZZXKLOSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=CC[C@@]2(C=O)CCCC[C@@H]12 238240872 572996900 /nfs/dbraw/zinc/99/69/00/572996900.db2.gz JLYLYONZRPXFLT-WDEREUQCSA-N 0 0 164.248 2.712 10 30 AFEERN CC1(C)C[C@H]2CCCC2=CC1=O 238241412 572997114 /nfs/dbraw/zinc/99/71/14/572997114.db2.gz AEAAIXVPIYLCED-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCCC(=O)O[C@H](C)C(C)C 308219569 572997117 /nfs/dbraw/zinc/99/71/17/572997117.db2.gz BPBNQESJAWDTGW-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=C1C(=O)CC(C)(C)C[C@H]2C[C@@]12C 238242028 572997478 /nfs/dbraw/zinc/99/74/78/572997478.db2.gz WRPWPLRLKXGGLK-CABZTGNLSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCC[C@@H](O)C[C@H]1CCCCO1 128322775 572997628 /nfs/dbraw/zinc/99/76/28/572997628.db2.gz AVKFLKAZSVPPCP-VXGBXAGGSA-N 0 0 198.306 2.663 10 30 AFEERN Cc1ccc(CCC#N)cc1F 104526846 572997629 /nfs/dbraw/zinc/99/76/29/572997629.db2.gz JNFYXFKOLSWQTG-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN CC1(C)C[C@@H]2C=CC(=O)C[C@@H]2C1 238241012 572997637 /nfs/dbraw/zinc/99/76/37/572997637.db2.gz IAPHERGDAUTQJD-DTWKUNHWSA-N 0 0 164.248 2.568 10 30 AFEERN N#CCCc1cccc(Cl)c1F 104526839 572997842 /nfs/dbraw/zinc/99/78/42/572997842.db2.gz HKSYMZKPYGZZCH-UHFFFAOYSA-N 0 0 183.613 2.935 10 30 AFEERN CCCN(C)c1c(C)cccc1C#N 221003436 572998012 /nfs/dbraw/zinc/99/80/12/572998012.db2.gz MWCIWUPNCZPDKH-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN C=C[C@H](OC(=O)C1CC1)C(C)(C)C 308218855 572998112 /nfs/dbraw/zinc/99/81/12/572998112.db2.gz BEFLCMSFCGMDNF-VIFPVBQESA-N 0 0 182.263 2.540 10 30 AFEERN C[C@@H]1CSc2c(CC=O)cccc21 257917794 572998162 /nfs/dbraw/zinc/99/81/62/572998162.db2.gz BVEYRYCIOWFMSW-MRVPVSSYSA-N 0 0 192.283 2.637 10 30 AFEERN CCC[C@@H](C)C=NOCC(F)(F)F 308218510 572998578 /nfs/dbraw/zinc/99/85/78/572998578.db2.gz KFTFAPBYLPZRNZ-SSDOTTSWSA-N 0 0 197.200 2.987 10 30 AFEERN CCCC[C@H]1CC(=O)C=CS1 238241549 572998269 /nfs/dbraw/zinc/99/82/69/572998269.db2.gz BQADJMBLZWJZRC-VIFPVBQESA-N 0 0 170.277 2.765 10 30 AFEERN C=CC[C@@H](CC)OC(=O)C1CCC1 308218408 572998447 /nfs/dbraw/zinc/99/84/47/572998447.db2.gz KDFXNFBXAOXYQH-SNVBAGLBSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCC[C@H](O)C[C@@H]1CCCCO1 128322126 572998559 /nfs/dbraw/zinc/99/85/59/572998559.db2.gz AVKFLKAZSVPPCP-RYUDHWBXSA-N 0 0 198.306 2.663 10 30 AFEERN Cc1cc2sc(C#N)cc2cc1N 259540853 572998604 /nfs/dbraw/zinc/99/86/04/572998604.db2.gz ZPOHQYDHSXVCCE-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=CC[C@@](O)(CC)Cc1ccccc1 131832279 572999228 /nfs/dbraw/zinc/99/92/28/572999228.db2.gz CXIBONNQPSTKBN-ZDUSSCGKSA-N 0 0 190.286 2.946 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OCC(C)C 308217802 572999288 /nfs/dbraw/zinc/99/92/88/572999288.db2.gz AVDCLIPSYCCXOP-SNVBAGLBSA-N 0 0 184.279 2.788 10 30 AFEERN C[C@H]1CSc2c(CC=O)cccc21 257917796 572999338 /nfs/dbraw/zinc/99/93/38/572999338.db2.gz BVEYRYCIOWFMSW-QMMMGPOBSA-N 0 0 192.283 2.637 10 30 AFEERN C=C1C(=O)CC(C)(C)C[C@H]2C[C@]12C 238242366 572999741 /nfs/dbraw/zinc/99/97/41/572999741.db2.gz WRPWPLRLKXGGLK-JOYOIKCWSA-N 0 0 178.275 2.958 10 30 AFEERN CCCC[C@H]1CC=C(C)C1=O 238242353 572999784 /nfs/dbraw/zinc/99/97/84/572999784.db2.gz BWYGOSBDCZNVDY-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CCOC(C#N)(C1CCC1)C1CCC1 308471963 573000526 /nfs/dbraw/zinc/00/05/26/573000526.db2.gz JSAKRZRJKVBGOQ-UHFFFAOYSA-N 0 0 193.290 2.885 10 30 AFEERN CC1=C(C(=O)c2ccccc2)CC1 238244933 573000929 /nfs/dbraw/zinc/00/09/29/573000929.db2.gz KRKXMMDGMTXHAZ-UHFFFAOYSA-N 0 0 172.227 2.980 10 30 AFEERN C=C(C(=O)[C@@H](C)C1CC1)C(F)(F)F 308231765 573001502 /nfs/dbraw/zinc/00/15/02/573001502.db2.gz TULVALJWZCUTAE-YFKPBYRVSA-N 0 0 192.180 2.720 10 30 AFEERN Cc1cccc(Cl)c1NCC#N 85388409 573001715 /nfs/dbraw/zinc/00/17/15/573001715.db2.gz MZSCWTMKROJYOY-UHFFFAOYSA-N 0 0 180.638 2.584 10 30 AFEERN C=CCCCC(=O)O[C@@H](C)C(F)F 308219934 573001965 /nfs/dbraw/zinc/00/19/65/573001965.db2.gz BRIDWYFQAWRSTA-ZETCQYMHSA-N 0 0 192.205 2.540 10 30 AFEERN Cc1c[nH]c2ccc(CCC#N)cc12 259306067 573002699 /nfs/dbraw/zinc/00/26/99/573002699.db2.gz VNZMVBUZBCTJEU-UHFFFAOYSA-N 0 0 184.242 2.933 10 30 AFEERN C=C1CC(=O)C[C@H]2C[C@@H]1CC=C2C 238243946 573002415 /nfs/dbraw/zinc/00/24/15/573002415.db2.gz NGKLRYCUJHONCI-WDEREUQCSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)CC=NO[C@@H]1CCCCO1 308220418 573002464 /nfs/dbraw/zinc/00/24/64/573002464.db2.gz BVHBPBMLNAWCGN-SNVBAGLBSA-N 0 0 185.267 2.562 10 30 AFEERN CCC[C@H](C#N)c1ccc(O)c(O)c1 238244344 573002537 /nfs/dbraw/zinc/00/25/37/573002537.db2.gz HDZODEZTGWWJTR-SECBINFHSA-N 0 0 191.230 2.505 10 30 AFEERN C=C[C@@](C)(Cl)C(=O)CCC 238244442 573002668 /nfs/dbraw/zinc/00/26/68/573002668.db2.gz IDZSLXWYRLGPSV-MRVPVSSYSA-N 0 0 160.644 2.539 10 30 AFEERN Cc1cccc(Cl)c1NCCC#N 85388562 573002966 /nfs/dbraw/zinc/00/29/66/573002966.db2.gz YQSTWHYBUHHROZ-UHFFFAOYSA-N 0 0 194.665 2.974 10 30 AFEERN C=C(C)c1ccccc1[C@H](C)O 196988054 573003022 /nfs/dbraw/zinc/00/30/22/573003022.db2.gz YYUVREOQCBVQFB-VIFPVBQESA-N 0 0 162.232 2.773 10 30 AFEERN C=CCCOC(=O)[C@@H]1CCC[C@H]1C 308220420 573003236 /nfs/dbraw/zinc/00/32/36/573003236.db2.gz BVKUGVMJMFEBMF-NXEZZACHSA-N 0 0 182.263 2.542 10 30 AFEERN N#Cc1cccc(NC2CC=CC2)c1 227629341 573003387 /nfs/dbraw/zinc/00/33/87/573003387.db2.gz HMZWAXVXFNOMES-UHFFFAOYSA-N 0 0 184.242 2.689 10 30 AFEERN CC1(C)C[C@@]1(C)[C@H]1CC[C@](C)(C=O)O1 717029422 573003470 /nfs/dbraw/zinc/00/34/70/573003470.db2.gz BEBFLQKDTMTDNY-JLLWLGSASA-N 0 0 196.290 2.559 10 30 AFEERN CCC[C@H](C)C=NNC1CCCC1 308473792 573003557 /nfs/dbraw/zinc/00/35/57/573003557.db2.gz LKTHTJNEOWRFDZ-JTQLQIEISA-N 0 0 182.311 2.941 10 30 AFEERN C=CC(=O)[C@@]1(C)CC=C(C)CC1 238244664 573003612 /nfs/dbraw/zinc/00/36/12/573003612.db2.gz FLGZBSNXBZDKJO-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CC1=CC[C@]2(C=O)CCCC[C@@H]12 238245355 573003644 /nfs/dbraw/zinc/00/36/44/573003644.db2.gz JLYLYONZRPXFLT-QWRGUYRKSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCOC(=O)[C@@H]1CCC[C@@H]1C 308220423 573004106 /nfs/dbraw/zinc/00/41/06/573004106.db2.gz BVKUGVMJMFEBMF-VHSXEESVSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCOC(=O)[C@H]1CCC[C@H]1C 308220425 573003930 /nfs/dbraw/zinc/00/39/30/573003930.db2.gz BVKUGVMJMFEBMF-ZJUUUORDSA-N 0 0 182.263 2.542 10 30 AFEERN CC1(C)C[C@]1(C)[C@H]1CC[C@](C)(C=O)O1 717029433 573003962 /nfs/dbraw/zinc/00/39/62/573003962.db2.gz BEBFLQKDTMTDNY-YUSALJHKSA-N 0 0 196.290 2.559 10 30 AFEERN CC1(C)[C@H]2CC[C@]1(C)C=CC2=O 238244971 573004066 /nfs/dbraw/zinc/00/40/66/573004066.db2.gz JRYYZHMQHLTZAK-GZMMTYOYSA-N 0 0 164.248 2.568 10 30 AFEERN O=CCc1cc2ccc(Cl)cc2o1 258214073 573004079 /nfs/dbraw/zinc/00/40/79/573004079.db2.gz OXIMBPRZMIZHKX-UHFFFAOYSA-N 0 0 194.617 2.828 10 30 AFEERN CC1(C)C[C@]1(C=O)Cc1ccccc1 238244649 573004096 /nfs/dbraw/zinc/00/40/96/573004096.db2.gz VQXVOYWYAIJPLS-ZDUSSCGKSA-N 0 0 188.270 2.844 10 30 AFEERN CC[C@@](C)(C#N)c1ccsc1 113481201 573004432 /nfs/dbraw/zinc/00/44/32/573004432.db2.gz JWMHEQDBOHGILU-VIFPVBQESA-N 0 0 165.261 2.939 10 30 AFEERN C#CCCC[C@](O)(CCC)C1CC1 308192300 573004441 /nfs/dbraw/zinc/00/44/41/573004441.db2.gz ONXPVYRZDRGDON-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN CC(C)CC=NO[C@H]1CCCCO1 308220416 573004487 /nfs/dbraw/zinc/00/44/87/573004487.db2.gz BVHBPBMLNAWCGN-JTQLQIEISA-N 0 0 185.267 2.562 10 30 AFEERN CC1(C)[C@H]2CC[C@]1(C)C(=S)C2=CO 238244787 573004521 /nfs/dbraw/zinc/00/45/21/573004521.db2.gz MNLHBKKHMQRHKC-VHSKPIJISA-N 0 0 196.315 2.628 10 30 AFEERN CCC[C@@H](C)C=NNC1CCCC1 308473795 573004603 /nfs/dbraw/zinc/00/46/03/573004603.db2.gz LKTHTJNEOWRFDZ-SNVBAGLBSA-N 0 0 182.311 2.941 10 30 AFEERN C=CCc1ccc2c(c1)N(CC)CC2 238244149 573004623 /nfs/dbraw/zinc/00/46/23/573004623.db2.gz MAZKJAXEUYHSMB-UHFFFAOYSA-N 0 0 187.286 2.798 10 30 AFEERN C=C(C)[C@@](C)(Cl)C(=O)CCC 238244432 573004652 /nfs/dbraw/zinc/00/46/52/573004652.db2.gz HCRSUFTXWHUTLU-SECBINFHSA-N 0 0 174.671 2.929 10 30 AFEERN Cc1cccc(Cl)c1N[C@H](C)C#N 85388574 573004676 /nfs/dbraw/zinc/00/46/76/573004676.db2.gz XYONCSCTIRJZMV-MRVPVSSYSA-N 0 0 194.665 2.972 10 30 AFEERN C=CCc1ccc2c(c1)CCN2CC 238243947 573004757 /nfs/dbraw/zinc/00/47/57/573004757.db2.gz RWTDGBIZYKMVAE-UHFFFAOYSA-N 0 0 187.286 2.798 10 30 AFEERN C=C(CCO)Cc1cccc(Cl)c1 258216267 573004849 /nfs/dbraw/zinc/00/48/49/573004849.db2.gz OKNYAMYAKMUZJH-UHFFFAOYSA-N 0 0 196.677 2.821 10 30 AFEERN CCCC(=O)C=CNc1ccccc1 238244683 573004895 /nfs/dbraw/zinc/00/48/95/573004895.db2.gz WVCRPJSERISZHX-MDZDMXLPSA-N 0 0 189.258 2.981 10 30 AFEERN CC1=CC[C@@](C=O)(CCC#N)CC1 238244958 573004989 /nfs/dbraw/zinc/00/49/89/573004989.db2.gz RFQMRZBPRFXOGR-NSHDSACASA-N 0 0 177.247 2.606 10 30 AFEERN COc1ccc(F)c([C@H](C)CC=O)c1 258214217 573005019 /nfs/dbraw/zinc/00/50/19/573005019.db2.gz ZQRRMOJWDKFSOH-MRVPVSSYSA-N 0 0 196.221 2.527 10 30 AFEERN C=C1C[C@H](O)C[C@H](CCCC)C1 238245207 573005662 /nfs/dbraw/zinc/00/56/62/573005662.db2.gz YCLMEAURTRTOAW-MNOVXSKESA-N 0 0 168.280 2.894 10 30 AFEERN CC1(C)[C@H]2CC[C@]1(C)[C@@H](C#N)C2 238245215 573005074 /nfs/dbraw/zinc/00/50/74/573005074.db2.gz PAZKXECQWUCVBE-IQJOONFLSA-N 0 0 163.264 2.972 10 30 AFEERN N#Cc1cc(C2CCCCC2)on1 259307942 573005280 /nfs/dbraw/zinc/00/52/80/573005280.db2.gz NQZTWAORWSETQB-UHFFFAOYSA-N 0 0 176.219 2.594 10 30 AFEERN C=CCCOC(=O)[C@H]1CCC[C@@H]1C 308220422 573005347 /nfs/dbraw/zinc/00/53/47/573005347.db2.gz BVKUGVMJMFEBMF-UWVGGRQHSA-N 0 0 182.263 2.542 10 30 AFEERN CC1=CC(=O)C[C@H]2C[C@@H]1CC=C2C 238243935 573005392 /nfs/dbraw/zinc/00/53/92/573005392.db2.gz NBWVYMGOWRFLLU-WDEREUQCSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)c1ccccc1[C@@H](C)O 196988063 573005472 /nfs/dbraw/zinc/00/54/72/573005472.db2.gz YYUVREOQCBVQFB-SECBINFHSA-N 0 0 162.232 2.773 10 30 AFEERN C=C1CC[C@@H]2C(=O)[C@H]1CC2(C)C 238250500 573005492 /nfs/dbraw/zinc/00/54/92/573005492.db2.gz ZQDAZGZRBFJWAX-DTWKUNHWSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cccc(Cl)c1N[C@@H](C)C#N 85388571 573005551 /nfs/dbraw/zinc/00/55/51/573005551.db2.gz XYONCSCTIRJZMV-QMMMGPOBSA-N 0 0 194.665 2.972 10 30 AFEERN C=C(CC)C[C@@H](NN)C1(CCC)CC1 308472907 573005567 /nfs/dbraw/zinc/00/55/67/573005567.db2.gz CISSYXYMSWABKL-LLVKDONJSA-N 0 0 196.338 2.755 10 30 AFEERN CC1=C(C(=O)c2ccco2)CCC1 238244966 573005738 /nfs/dbraw/zinc/00/57/38/573005738.db2.gz BFMZJXSSDNXUFM-UHFFFAOYSA-N 0 0 176.215 2.963 10 30 AFEERN COc1ccc(F)c([C@@H](C)CC=O)c1 258214219 573005862 /nfs/dbraw/zinc/00/58/62/573005862.db2.gz ZQRRMOJWDKFSOH-QMMMGPOBSA-N 0 0 196.221 2.527 10 30 AFEERN C=C(C(=O)[C@H](C)C1CC1)C(F)(F)F 308231764 573006208 /nfs/dbraw/zinc/00/62/08/573006208.db2.gz TULVALJWZCUTAE-RXMQYKEDSA-N 0 0 192.180 2.720 10 30 AFEERN CC1(C)C[C@@]1(C)[C@@H]1CC[C@](C)(C=O)O1 717029428 573007079 /nfs/dbraw/zinc/00/70/79/573007079.db2.gz BEBFLQKDTMTDNY-WCQGTBRESA-N 0 0 196.290 2.559 10 30 AFEERN C=C(CC)C[C@H](NN)C1(CCC)CC1 308472908 573006448 /nfs/dbraw/zinc/00/64/48/573006448.db2.gz CISSYXYMSWABKL-NSHDSACASA-N 0 0 196.338 2.755 10 30 AFEERN CC1=C2CC(=O)C=C2CCCC1 238251240 573006670 /nfs/dbraw/zinc/00/66/70/573006670.db2.gz AEXBCBVXURCRJJ-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN CC1=C2CCC=C[C@@]2(C)CC1=O 238251592 573006769 /nfs/dbraw/zinc/00/67/69/573006769.db2.gz FDWORPSJQFCMBU-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN CC1=C[C@@](C)(CC=O)c2ccccc21 238251690 573006970 /nfs/dbraw/zinc/00/69/70/573006970.db2.gz KBUZJKSPZJMLNI-CYBMUJFWSA-N 0 0 186.254 2.950 10 30 AFEERN CCNc1nc([C@H](C)C#N)c(C)s1 259598752 573007028 /nfs/dbraw/zinc/00/70/28/573007028.db2.gz FZXWCUGYKJZZLW-ZCFIWIBFSA-N 0 0 195.291 2.510 10 30 AFEERN C=CC[C@]1(C)C=C(C)C=C(C)[C@@H]1O 238251645 573007034 /nfs/dbraw/zinc/00/70/34/573007034.db2.gz QVJPTTRFDMNWCJ-NWDGAFQWSA-N 0 0 178.275 2.836 10 30 AFEERN CC1=C[C@@](C)(CC=O)CCC1 238251663 573007112 /nfs/dbraw/zinc/00/71/12/573007112.db2.gz ZPFFPJDCWJPHGL-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@](C)(C#N)c1ccsc1 113481203 573007144 /nfs/dbraw/zinc/00/71/44/573007144.db2.gz JWMHEQDBOHGILU-SECBINFHSA-N 0 0 165.261 2.939 10 30 AFEERN C=C(C)c1cccc(CC2(O)CC2)c1 258216054 573007176 /nfs/dbraw/zinc/00/71/76/573007176.db2.gz ZZSUDWRBPLBSDD-UHFFFAOYSA-N 0 0 188.270 2.787 10 30 AFEERN N#C[C@@H]1CCCc2c1[nH]c1cnccc21 259598766 573007205 /nfs/dbraw/zinc/00/72/05/573007205.db2.gz GAJMJOJNAMLIBF-QMMMGPOBSA-N 0 0 197.241 2.506 10 30 AFEERN CC1=C2CC(C)(C)C[C@@H]2CC1=O 238251351 573007216 /nfs/dbraw/zinc/00/72/16/573007216.db2.gz CUFTXAMAZDIRRS-QMMMGPOBSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C2CC(=O)C(C)=C2CCC1 238251211 573007222 /nfs/dbraw/zinc/00/72/22/573007222.db2.gz BJTKOYLJZYBSSJ-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN CC(C)c1cc(O)ccc1CC#N 259598691 573007259 /nfs/dbraw/zinc/00/72/59/573007259.db2.gz GNPFTXZBSOHJHW-UHFFFAOYSA-N 0 0 175.231 2.582 10 30 AFEERN CC(C)(C)c1oc(C2CC2)nc1C#N 259598593 573007480 /nfs/dbraw/zinc/00/74/80/573007480.db2.gz FYFMYPQAIJVOGC-UHFFFAOYSA-N 0 0 190.246 2.721 10 30 AFEERN CC1(Nc2cc(F)cc(C#N)c2)CC1 227629746 573007939 /nfs/dbraw/zinc/00/79/39/573007939.db2.gz WKTGGSWJMSLZQT-UHFFFAOYSA-N 0 0 190.221 2.662 10 30 AFEERN Cc1csc(-c2oncc2C#N)c1 259598757 573008052 /nfs/dbraw/zinc/00/80/52/573008052.db2.gz GAEDPYQELWRYTD-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN CC[C@](C)(C#N)COC1CCCC1 308221980 573008162 /nfs/dbraw/zinc/00/81/62/573008162.db2.gz OOSJGYGSIHWWDH-LLVKDONJSA-N 0 0 181.279 2.885 10 30 AFEERN CSc1cc(F)cc(CC#N)c1F 258213444 573008183 /nfs/dbraw/zinc/00/81/83/573008183.db2.gz UIQSZMGTCWYCPQ-UHFFFAOYSA-N 0 0 199.225 2.753 10 30 AFEERN CC1=C2CCCC2=CC(=O)CC1 238251756 573008314 /nfs/dbraw/zinc/00/83/14/573008314.db2.gz SDKNGYILCVTLHH-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN CC1=C2CCC=C[C@]2(C)CC1=O 238251604 573008535 /nfs/dbraw/zinc/00/85/35/573008535.db2.gz FDWORPSJQFCMBU-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C=CC[C@H](CC)OC(=O)C=C(C)C 308221926 573008597 /nfs/dbraw/zinc/00/85/97/573008597.db2.gz LQSBLLMROBQFEH-JTQLQIEISA-N 0 0 182.263 2.851 10 30 AFEERN Cc1cccc2c(CC=O)csc12 258220894 573008686 /nfs/dbraw/zinc/00/86/86/573008686.db2.gz PHNNAULADDRWPA-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN C=CC[C@@H](CC)OC(=O)C=C(C)C 308221928 573008687 /nfs/dbraw/zinc/00/86/87/573008687.db2.gz LQSBLLMROBQFEH-SNVBAGLBSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[N@@H+](CC)Cc1ccc(Cl)o1 308221368 573008814 /nfs/dbraw/zinc/00/88/14/573008814.db2.gz LGUMDUVAWOYUFE-UHFFFAOYSA-N 0 0 199.681 2.941 10 30 AFEERN CC1(C)C[C@]1(C)[C@@H]1CC[C@](C)(C=O)O1 717029424 573008833 /nfs/dbraw/zinc/00/88/33/573008833.db2.gz BEBFLQKDTMTDNY-MVWJERBFSA-N 0 0 196.290 2.559 10 30 AFEERN C=C[C@@H](C)C(=O)C(C)(C)CC 238251333 573008850 /nfs/dbraw/zinc/00/88/50/573008850.db2.gz LFRNBMMOUDOQPE-MRVPVSSYSA-N 0 0 154.253 2.814 10 30 AFEERN N#CCCC(=O)c1cc2ccccc2[nH]1 259598553 573008887 /nfs/dbraw/zinc/00/88/87/573008887.db2.gz FXTXITONDVANOQ-UHFFFAOYSA-N 0 0 198.225 2.654 10 30 AFEERN C=CC[C@]1(C)C=C(C)C=C(C)[C@H]1O 238251653 573008946 /nfs/dbraw/zinc/00/89/46/573008946.db2.gz QVJPTTRFDMNWCJ-VXGBXAGGSA-N 0 0 178.275 2.836 10 30 AFEERN C=C(CC(=O)OC)c1ccc(C)s1 258218501 573009476 /nfs/dbraw/zinc/00/94/76/573009476.db2.gz ONZUGXHIJDGNKY-UHFFFAOYSA-N 0 0 196.271 2.633 10 30 AFEERN CC1CCC(=O)C2=C1CCCC2=O 238251747 573009660 /nfs/dbraw/zinc/00/96/60/573009660.db2.gz JAJWNVRCKBGCTF-UHFFFAOYSA-N 0 0 178.231 2.662 10 30 AFEERN N#C[C@H]1CCCc2c1[nH]c1cnccc21 259598762 573009806 /nfs/dbraw/zinc/00/98/06/573009806.db2.gz GAJMJOJNAMLIBF-MRVPVSSYSA-N 0 0 197.241 2.506 10 30 AFEERN CC1=C2CCCC=C2C(=O)CC1 238251792 573009839 /nfs/dbraw/zinc/00/98/39/573009839.db2.gz WOZSHNXIYDJNDB-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN Cc1cc(C(C)(C)C#N)ccc1C=O 113537342 573009961 /nfs/dbraw/zinc/00/99/61/573009961.db2.gz SZINMWUGFDXLOD-UHFFFAOYSA-N 0 0 187.242 2.609 10 30 AFEERN C=C[C@H](C)C(=O)C(C)(C)CC 238251277 573010059 /nfs/dbraw/zinc/01/00/59/573010059.db2.gz LFRNBMMOUDOQPE-QMMMGPOBSA-N 0 0 154.253 2.814 10 30 AFEERN Cc1c(CC#N)ccc2cc[nH]c12 259598639 573010131 /nfs/dbraw/zinc/01/01/31/573010131.db2.gz GMXNFPVDLIADIH-UHFFFAOYSA-N 0 0 170.215 2.542 10 30 AFEERN C=CC[C@@]1(C)C=CC(=O)C(C)=C1 238251635 573010137 /nfs/dbraw/zinc/01/01/37/573010137.db2.gz DEPJFYUQQFAXCP-NSHDSACASA-N 0 0 162.232 2.654 10 30 AFEERN CC(C)=C1CC[C@@](C)(C=O)C1 196985037 573010305 /nfs/dbraw/zinc/01/03/05/573010305.db2.gz SUDMRCSRDQRMEG-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC[C@@H](NN)C(C(C)C)C(C)C 308474405 573010439 /nfs/dbraw/zinc/01/04/39/573010439.db2.gz KNKCDVGQWKHAOD-LLVKDONJSA-N 0 0 198.354 2.713 10 30 AFEERN CC1(C)[C@@H]2CC3=C[C@H](C=O)C=C3[C@H]1C2 238251027 573010611 /nfs/dbraw/zinc/01/06/11/573010611.db2.gz UDERAGITHFAAOV-MKPLZMMCSA-N 0 0 188.270 2.734 10 30 AFEERN N#Cc1nccc2cc3ccoc3cc12 259598725 573010670 /nfs/dbraw/zinc/01/06/70/573010670.db2.gz FZGOEXIVFOVJTC-UHFFFAOYSA-N 0 0 194.193 2.853 10 30 AFEERN CC1=C2CC(C)(C)C[C@H]2CC1=O 238251362 573010762 /nfs/dbraw/zinc/01/07/62/573010762.db2.gz CUFTXAMAZDIRRS-MRVPVSSYSA-N 0 0 164.248 2.712 10 30 AFEERN CCNc1nc([C@@H](C)C#N)c(C)s1 259598751 573010870 /nfs/dbraw/zinc/01/08/70/573010870.db2.gz FZXWCUGYKJZZLW-LURJTMIESA-N 0 0 195.291 2.510 10 30 AFEERN CC1(C)[C@H]2C3=C(CCCC3)C(=O)[C@H]21 238251822 573010879 /nfs/dbraw/zinc/01/08/79/573010879.db2.gz RIQGUUFHLTWQDH-UWVGGRQHSA-N 0 0 176.259 2.712 10 30 AFEERN O=CCCCC1=C[C@H]2CC[C@@H]1C2 238607533 573010976 /nfs/dbraw/zinc/01/09/76/573010976.db2.gz YKICPIQDGNSOER-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C2CCC[C@@]2(C)CCC1=O 238252499 573011901 /nfs/dbraw/zinc/01/19/01/573011901.db2.gz BMONQNCZQBMFLY-NSHDSACASA-N 0 0 164.248 2.856 10 30 AFEERN CC(C)=C1CC[C@](C)(C=O)C1 196985047 573011775 /nfs/dbraw/zinc/01/17/75/573011775.db2.gz SUDMRCSRDQRMEG-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN N#Cc1ccc(C2(C#N)CCC2)cc1 113535775 573011978 /nfs/dbraw/zinc/01/19/78/573011978.db2.gz QRMTTYZXARWZOY-UHFFFAOYSA-N 0 0 182.226 2.504 10 30 AFEERN CC1=CC2=CC(=O)CC[C@H]2C1(C)C 238257073 573012833 /nfs/dbraw/zinc/01/28/33/573012833.db2.gz JCQKQRKHRNZLJW-LLVKDONJSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCC[C@H](NN)C(C(C)C)C(C)C 308474406 573012119 /nfs/dbraw/zinc/01/21/19/573012119.db2.gz KNKCDVGQWKHAOD-NSHDSACASA-N 0 0 198.354 2.713 10 30 AFEERN CC1=C2CCC[C@@]2(C)C=CC1=O 238252483 573012191 /nfs/dbraw/zinc/01/21/91/573012191.db2.gz RBDPKSVDAVSFHH-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN C=C[C@H]1C=C(C)CC[C@@]1(C)C=O 238253278 573012239 /nfs/dbraw/zinc/01/22/39/573012239.db2.gz GLJVPDBWLBJLJB-QWRGUYRKSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H](C)C(C)(C)C 308224057 573012554 /nfs/dbraw/zinc/01/25/54/573012554.db2.gz DDYPNSIAHGNTHI-IUCAKERBSA-N 0 0 184.279 2.786 10 30 AFEERN Cc1csc(N=NCCC(C)C)n1 308224807 573012594 /nfs/dbraw/zinc/01/25/94/573012594.db2.gz DLTGJIMBZKSAQP-UHFFFAOYSA-N 0 0 197.307 2.895 10 30 AFEERN N#C[C@]1(CCCCCF)CCCC1=O 308474834 573012620 /nfs/dbraw/zinc/01/26/20/573012620.db2.gz KPMPPCLJTVMAGU-NSHDSACASA-N 0 0 197.253 2.779 10 30 AFEERN C[C@@](C#N)(CC#N)c1cccc(F)c1 259595051 573012640 /nfs/dbraw/zinc/01/26/40/573012640.db2.gz PSRYTRJIDDKMLR-NSHDSACASA-N 0 0 188.205 2.521 10 30 AFEERN CC(C)C[C@H](C#N)n1cccc1 259595395 573012817 /nfs/dbraw/zinc/01/28/17/573012817.db2.gz CGCKCSBYLNQMMK-SNVBAGLBSA-N 0 0 162.236 2.599 10 30 AFEERN CC1=C2CCC[C@]2(C)C=CC1=O 238252643 573012870 /nfs/dbraw/zinc/01/28/70/573012870.db2.gz RBDPKSVDAVSFHH-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN CC1(C)C[C@]1(C=O)[Si](C)(C)C 238253149 573012944 /nfs/dbraw/zinc/01/29/44/573012944.db2.gz DPEZNODPAPLSEE-SECBINFHSA-N 0 0 170.328 2.694 10 30 AFEERN CCC[C@@H](O)C#Cc1ccc(C)cc1 238253077 573013047 /nfs/dbraw/zinc/01/30/47/573013047.db2.gz BSTXJCGESTWJCO-CYBMUJFWSA-N 0 0 188.270 2.508 10 30 AFEERN CC1(C)C[C@@]1(C=O)Cc1ccccc1 238253297 573013170 /nfs/dbraw/zinc/01/31/70/573013170.db2.gz VQXVOYWYAIJPLS-CYBMUJFWSA-N 0 0 188.270 2.844 10 30 AFEERN Cc1cccc2c(CS)cn(C)c12 257923140 573013278 /nfs/dbraw/zinc/01/32/78/573013278.db2.gz RTUJZNSVLBBLJD-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H](C)C(C)(C)C 308224055 573013451 /nfs/dbraw/zinc/01/34/51/573013451.db2.gz DDYPNSIAHGNTHI-DTWKUNHWSA-N 0 0 184.279 2.786 10 30 AFEERN CCCCC#CC[C@@H](O)C(C)(C)C 308227179 573019030 /nfs/dbraw/zinc/01/90/30/573019030.db2.gz RBVQKOQWURYNCZ-LLVKDONJSA-N 0 0 182.307 2.977 10 30 AFEERN CC1=C2C(=O)CCCC[C@H]2CC1 238253301 573013696 /nfs/dbraw/zinc/01/36/96/573013696.db2.gz ICYBQYOTVBSBBJ-VIFPVBQESA-N 0 0 164.248 2.856 10 30 AFEERN C=C[C@@H]1CCC2=C(C)C(=O)CC[C@H]21 238252737 573013717 /nfs/dbraw/zinc/01/37/17/573013717.db2.gz MQWHDOMBWPRZEM-KOLCDFICSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC2=CC(=O)CC[C@@H]2C1(C)C 238257054 573013942 /nfs/dbraw/zinc/01/39/42/573013942.db2.gz JCQKQRKHRNZLJW-NSHDSACASA-N 0 0 176.259 2.878 10 30 AFEERN CCC[C@@H](O)C#C/C=C(/C)CC 238253031 573014805 /nfs/dbraw/zinc/01/48/05/573014805.db2.gz KPEYBLRXADBRJU-HIJJYWJESA-N 0 0 166.264 2.507 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H](C)C(C)(C)C 308224058 573014808 /nfs/dbraw/zinc/01/48/08/573014808.db2.gz DDYPNSIAHGNTHI-RKDXNWHRSA-N 0 0 184.279 2.786 10 30 AFEERN CC1=C2CCC[C@]2(C)CCC1=O 238252656 573014966 /nfs/dbraw/zinc/01/49/66/573014966.db2.gz BMONQNCZQBMFLY-LLVKDONJSA-N 0 0 164.248 2.856 10 30 AFEERN C=C1[C@@H](C)CC[C@@H](C(C)C)[C@H]1O 141748440 573015322 /nfs/dbraw/zinc/01/53/22/573015322.db2.gz WNDJHODLYQARJS-LSJOCFKGSA-N 0 0 168.280 2.606 10 30 AFEERN CC1=C[C@H](CC=O)CC(C)(C)C1 238253341 573015383 /nfs/dbraw/zinc/01/53/83/573015383.db2.gz FTHCGBKHCYORLT-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC=O)c1ccccc1Cl 258225631 573015638 /nfs/dbraw/zinc/01/56/38/573015638.db2.gz PCUZRRRKSRRZNX-UHFFFAOYSA-N 0 0 180.634 2.942 10 30 AFEERN C=C[C@](C=O)(CCCC)[C@H](C)OCC 238253168 573015744 /nfs/dbraw/zinc/01/57/44/573015744.db2.gz LCBPVXCCTJJUJK-NWDGAFQWSA-N 0 0 198.306 2.973 10 30 AFEERN C=C[C@H]1CCC2=C(C)C(=O)CC[C@H]21 238252836 573015768 /nfs/dbraw/zinc/01/57/68/573015768.db2.gz MQWHDOMBWPRZEM-ONGXEEELSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=C[C@H](C=O)C(C)(C)CC1 238253284 573015783 /nfs/dbraw/zinc/01/57/83/573015783.db2.gz SXVXQAQUPIQJDD-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN O=CC(F)(F)CC1CCCCC1 257924707 573016185 /nfs/dbraw/zinc/01/61/85/573016185.db2.gz RYHVIXZHDYQISM-UHFFFAOYSA-N 0 0 176.206 2.791 10 30 AFEERN C=C[C@H]1CCC2=C(C)C(=O)CC[C@@H]21 238252842 573015921 /nfs/dbraw/zinc/01/59/21/573015921.db2.gz MQWHDOMBWPRZEM-GXSJLCMTSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@H]1CCC2=C(C)C(=O)CC[C@@H]21 238252746 573015924 /nfs/dbraw/zinc/01/59/24/573015924.db2.gz MQWHDOMBWPRZEM-MWLCHTKSSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H]1CCC[C@@H](COCC[C@H]2CO2)C1 308475931 573015961 /nfs/dbraw/zinc/01/59/61/573015961.db2.gz DRBMFVKUNLMZGG-UTUOFQBUSA-N 0 0 198.306 2.618 10 30 AFEERN C=C[C@H]1C=C(C)CC[C@]1(C)C=O 238253269 573015975 /nfs/dbraw/zinc/01/59/75/573015975.db2.gz GLJVPDBWLBJLJB-WDEREUQCSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H]1CCC[C@H](COCC[C@@H]2CO2)C1 308475927 573015979 /nfs/dbraw/zinc/01/59/79/573015979.db2.gz DRBMFVKUNLMZGG-GRYCIOLGSA-N 0 0 198.306 2.618 10 30 AFEERN C=CCC[C@H]1CC[C@@H](O)C=C1C 238253846 573016913 /nfs/dbraw/zinc/01/69/13/573016913.db2.gz NTXZRTXINXVQGQ-WDEREUQCSA-N 0 0 166.264 2.670 10 30 AFEERN CC(C)(C)C1(C2(C#N)CCC2)COC1 259312572 573016929 /nfs/dbraw/zinc/01/69/29/573016929.db2.gz RJGRWMWJHKWQFE-UHFFFAOYSA-N 0 0 193.290 2.743 10 30 AFEERN C=CCC[C@H](C)N(CC)CC(F)F 308222807 573016935 /nfs/dbraw/zinc/01/69/35/573016935.db2.gz LXEXMSJDFFKJBP-VIFPVBQESA-N 0 0 191.265 2.928 10 30 AFEERN CC1(Cn2cccc2C#N)CCCC1 306207137 573017039 /nfs/dbraw/zinc/01/70/39/573017039.db2.gz QPCNIBSPPUDTPH-UHFFFAOYSA-N 0 0 188.274 2.940 10 30 AFEERN CC1=C2C(=O)CCCC[C@@H]2CC1 238253446 573017087 /nfs/dbraw/zinc/01/70/87/573017087.db2.gz ICYBQYOTVBSBBJ-SECBINFHSA-N 0 0 164.248 2.856 10 30 AFEERN CC1=CC(=O)C(C)(C)[C@@H]2CCC[C@@H]12 238253595 573017217 /nfs/dbraw/zinc/01/72/17/573017217.db2.gz SIJQKGPETDTTNK-VHSXEESVSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCC[C@@H](C)N(CC)CC(F)F 308222806 573017218 /nfs/dbraw/zinc/01/72/18/573017218.db2.gz LXEXMSJDFFKJBP-SECBINFHSA-N 0 0 191.265 2.928 10 30 AFEERN COc1cccc(-c2c[nH]c(C#N)c2)c1 259311535 573017280 /nfs/dbraw/zinc/01/72/80/573017280.db2.gz VWUWDALMKLHSGZ-UHFFFAOYSA-N 0 0 198.225 2.562 10 30 AFEERN C[C@@H]1CCC[C@H](COCC[C@H]2CO2)C1 308475933 573017510 /nfs/dbraw/zinc/01/75/10/573017510.db2.gz DRBMFVKUNLMZGG-WOPDTQHZSA-N 0 0 198.306 2.618 10 30 AFEERN N#Cc1cc2cc3c(cc2[nH]1)CCC3 259595838 573018137 /nfs/dbraw/zinc/01/81/37/573018137.db2.gz DVTYEPUFGPFYIF-UHFFFAOYSA-N 0 0 182.226 2.528 10 30 AFEERN N#C[C@@H]1CCc2cc(Cl)ccc2N1 259596137 573018157 /nfs/dbraw/zinc/01/81/57/573018157.db2.gz FWNGHMFRSOIDDI-VIFPVBQESA-N 0 0 192.649 2.590 10 30 AFEERN N#Cc1cc2c([nH]1)[nH]c1ccsc12 259595944 573018205 /nfs/dbraw/zinc/01/82/05/573018205.db2.gz DXSABHMFJVNTJT-UHFFFAOYSA-N 0 0 187.227 2.582 10 30 AFEERN N#C[C@H]1CCc2cc(Cl)ccc2N1 259596134 573018931 /nfs/dbraw/zinc/01/89/31/573018931.db2.gz FWNGHMFRSOIDDI-SECBINFHSA-N 0 0 192.649 2.590 10 30 AFEERN Cc1cc2c(o1)Cc1occ(C#N)c1-2 259596017 573018971 /nfs/dbraw/zinc/01/89/71/573018971.db2.gz DYVNMRMMSBLISK-UHFFFAOYSA-N 0 0 185.182 2.624 10 30 AFEERN C=CCCC[C@H](NN)C1(CCC)CC1 308483589 573019300 /nfs/dbraw/zinc/01/93/00/573019300.db2.gz IBIJINFJOHYJKL-NSHDSACASA-N 0 0 196.338 2.755 10 30 AFEERN CSc1ccc(F)c(CC#N)c1F 258224591 573019723 /nfs/dbraw/zinc/01/97/23/573019723.db2.gz VJVNKPDBKJBGIZ-UHFFFAOYSA-N 0 0 199.225 2.753 10 30 AFEERN CCCc1nc2ccc(C#N)cc2o1 238253771 573020559 /nfs/dbraw/zinc/02/05/59/573020559.db2.gz XFJIIILCDPRJHN-UHFFFAOYSA-N 0 0 186.214 2.652 10 30 AFEERN CC1=CC(=O)C(C)(C)[C@H]2CCC[C@@H]12 238253618 573020700 /nfs/dbraw/zinc/02/07/00/573020700.db2.gz SIJQKGPETDTTNK-UWVGGRQHSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@H](O)Cc1cc(C)ccc1C 128310987 573020723 /nfs/dbraw/zinc/02/07/23/573020723.db2.gz WQKIMPKXWIDDFG-CYBMUJFWSA-N 0 0 190.286 2.783 10 30 AFEERN CC1=CC(=O)C(C)(C)[C@H]2CCC[C@H]12 238253608 573021173 /nfs/dbraw/zinc/02/11/73/573021173.db2.gz SIJQKGPETDTTNK-ZJUUUORDSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCCC(C)=NNC[C@@H]1C[C@@H]1C 308225575 573021224 /nfs/dbraw/zinc/02/12/24/573021224.db2.gz DRBSIJUEQYERQD-ONGXEEELSA-N 0 0 180.295 2.574 10 30 AFEERN N#CCc1cc2occc2s1 259595562 573021259 /nfs/dbraw/zinc/02/12/59/573021259.db2.gz CJMUJFRXIZXTGP-UHFFFAOYSA-N 0 0 163.201 2.560 10 30 AFEERN CC1CCC(OCCC[C@@H]2CO2)CC1 308485187 573021302 /nfs/dbraw/zinc/02/13/02/573021302.db2.gz NFRHOCPBEIQWPA-HTAVTVPLSA-N 0 0 198.306 2.761 10 30 AFEERN C=CCC[C@@H]1CC[C@@H](O)C=C1C 238253881 573021421 /nfs/dbraw/zinc/02/14/21/573021421.db2.gz NTXZRTXINXVQGQ-GHMZBOCLSA-N 0 0 166.264 2.670 10 30 AFEERN CCCCC[C@@H]1C[C@@H]1CC#CCO 308226621 573021422 /nfs/dbraw/zinc/02/14/22/573021422.db2.gz RADNHTYENFBJSL-NEPJUHHUSA-N 0 0 180.291 2.589 10 30 AFEERN C=CCCC(C)=NNC[C@H]1C[C@@H]1C 308225567 573021489 /nfs/dbraw/zinc/02/14/89/573021489.db2.gz DRBSIJUEQYERQD-GXSJLCMTSA-N 0 0 180.295 2.574 10 30 AFEERN C=C(C(F)(F)F)[C@](C)(O)CC1CC1 308227252 573021968 /nfs/dbraw/zinc/02/19/68/573021968.db2.gz RCRGVZQOVJMYKA-MRVPVSSYSA-N 0 0 194.196 2.656 10 30 AFEERN CC1=CC(=O)[C@H]2CCCC[C@]12C 238255889 573022666 /nfs/dbraw/zinc/02/26/66/573022666.db2.gz KHRKMWQJWDELHQ-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCC(C)=NNC[C@H]1C[C@H]1C 308225573 573022936 /nfs/dbraw/zinc/02/29/36/573022936.db2.gz DRBSIJUEQYERQD-MWLCHTKSSA-N 0 0 180.295 2.574 10 30 AFEERN C=CC[C@@]12CCC[C@H]1C(=O)C=C2C 238255387 573023731 /nfs/dbraw/zinc/02/37/31/573023731.db2.gz UCQZFJBJFCCLHX-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1[C@@H](O)[C@@H]2C(C)=C[C@H]1CC2(C)C 238254725 573023758 /nfs/dbraw/zinc/02/37/58/573023758.db2.gz SQDAIYUURAAXFL-GARJFASQSA-N 0 0 178.275 2.526 10 30 AFEERN CC1=CC[C@H](C2(C=O)CC2)C1(C)C 141743133 573024300 /nfs/dbraw/zinc/02/43/00/573024300.db2.gz VSBCTNYRLRIAMH-JTQLQIEISA-N 0 0 178.275 2.958 10 30 AFEERN CC1=CC[C@@H](C2(C=O)CC2)C1(C)C 141743317 573025459 /nfs/dbraw/zinc/02/54/59/573025459.db2.gz VSBCTNYRLRIAMH-SNVBAGLBSA-N 0 0 178.275 2.958 10 30 AFEERN CC1=CC(=O)c2ccc(C)cc21 113689494 573025655 /nfs/dbraw/zinc/02/56/55/573025655.db2.gz HRNRKUIWJMAFJC-UHFFFAOYSA-N 0 0 158.200 2.595 10 30 AFEERN C=C[C@H](C)Sc1nnc(C(C)C)o1 308228693 573025714 /nfs/dbraw/zinc/02/57/14/573025714.db2.gz FURKEXKAZHJXRE-ZETCQYMHSA-N 0 0 198.291 2.860 10 30 AFEERN CN[C@H](S)c1cc(C)c(C)cc1C 259596377 573025870 /nfs/dbraw/zinc/02/58/70/573025870.db2.gz XYGSJZMAFNFSTR-LLVKDONJSA-N 0 0 195.331 2.760 10 30 AFEERN C=C[C@@H](C)[C@H](C)C(=O)OCCCC 308228644 573026843 /nfs/dbraw/zinc/02/68/43/573026843.db2.gz NXECLVFPVVMTDT-ZJUUUORDSA-N 0 0 184.279 2.788 10 30 AFEERN C=CCN(CC)C(=O)OC1CCCC1 308478410 573026994 /nfs/dbraw/zinc/02/69/94/573026994.db2.gz LXLJBXRLCZKMGL-UHFFFAOYSA-N 0 0 197.278 2.574 10 30 AFEERN C=C[C@H](C)[C@@H](C)C(=O)OCCCC 308228642 573027718 /nfs/dbraw/zinc/02/77/18/573027718.db2.gz NXECLVFPVVMTDT-VHSXEESVSA-N 0 0 184.279 2.788 10 30 AFEERN C=CC[C@@]1(C)C=C(C)C=C(C)[C@H]1O 238256340 573028097 /nfs/dbraw/zinc/02/80/97/573028097.db2.gz QVJPTTRFDMNWCJ-NEPJUHHUSA-N 0 0 178.275 2.836 10 30 AFEERN CCCCc1nc2c(C#N)cccc2[nH]1 126735160 573027985 /nfs/dbraw/zinc/02/79/85/573027985.db2.gz SLPITMIUAWFKJV-UHFFFAOYSA-N 0 0 199.257 2.777 10 30 AFEERN CC1=C[C@](C)(CC=O)c2ccccc21 238256382 573028554 /nfs/dbraw/zinc/02/85/54/573028554.db2.gz KBUZJKSPZJMLNI-ZDUSSCGKSA-N 0 0 186.254 2.950 10 30 AFEERN C=C[C@H](C)[C@H](C)C(=O)O[C@@H](C)CC 308478039 573029234 /nfs/dbraw/zinc/02/92/34/573029234.db2.gz MKKVRBGUJQLIBM-GUBZILKMSA-N 0 0 184.279 2.786 10 30 AFEERN CC1=CC2(CCC2)CC(=O)C=C1 238256861 573029304 /nfs/dbraw/zinc/02/93/04/573029304.db2.gz SFBBUCKJAGBGAW-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN C=C[C@H](C)[C@@H](C)C(=O)O[C@@H](C)CC 308478041 573029345 /nfs/dbraw/zinc/02/93/45/573029345.db2.gz MKKVRBGUJQLIBM-LPEHRKFASA-N 0 0 184.279 2.786 10 30 AFEERN Cc1ccncc1C1=CC(=O)CCC1 85442710 573029367 /nfs/dbraw/zinc/02/93/67/573029367.db2.gz COHBMHDKVNGGDE-UHFFFAOYSA-N 0 0 187.242 2.526 10 30 AFEERN CCCn1cc([C@@H](C#N)C(C)C)cn1 259314368 573029422 /nfs/dbraw/zinc/02/94/22/573029422.db2.gz COAJXGWCWJKYML-NSHDSACASA-N 0 0 191.278 2.556 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@H]1C[C@@H]1C 308229971 573029492 /nfs/dbraw/zinc/02/94/92/573029492.db2.gz GEDISYJJVJLABU-LPEHRKFASA-N 0 0 182.263 2.540 10 30 AFEERN CC1=CC(C)(C)[C@@H]2CCC[C@H]2C1=O 238256575 573029496 /nfs/dbraw/zinc/02/94/96/573029496.db2.gz CPCTXDYRSGJFQQ-NXEZZACHSA-N 0 0 178.275 2.958 10 30 AFEERN CC1=CC2(CCCCC2)CC1=O 238256906 573029640 /nfs/dbraw/zinc/02/96/40/573029640.db2.gz NQVOBKPMLYTIMW-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CC1=CC(C)(C)[C@H]2CCC[C@H]2C1=O 238256637 573029727 /nfs/dbraw/zinc/02/97/27/573029727.db2.gz CPCTXDYRSGJFQQ-ZJUUUORDSA-N 0 0 178.275 2.958 10 30 AFEERN O=CC/C=C\C[C@H]1CCCSC1 258230308 573029781 /nfs/dbraw/zinc/02/97/81/573029781.db2.gz PLODHAYGFJGQLP-SYBPUXJVSA-N 0 0 184.304 2.665 10 30 AFEERN CCOC1=CC(=O)C[C@@H]2CCCC[C@H]12 238256628 573031455 /nfs/dbraw/zinc/03/14/55/573031455.db2.gz XJUXULMTUIFNQX-ONGXEEELSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCC[C@@H]1CC[C@H](O)C=C1C 238248364 573031492 /nfs/dbraw/zinc/03/14/92/573031492.db2.gz NTXZRTXINXVQGQ-MNOVXSKESA-N 0 0 166.264 2.670 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@@H]1C[C@H]1C 308229972 573030695 /nfs/dbraw/zinc/03/06/95/573030695.db2.gz GEDISYJJVJLABU-UTLUCORTSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@@]1(C)C=C(C)C=C(C)[C@@H]1O 238256330 573030486 /nfs/dbraw/zinc/03/04/86/573030486.db2.gz QVJPTTRFDMNWCJ-RYUDHWBXSA-N 0 0 178.275 2.836 10 30 AFEERN CCOC1=CC(=O)C[C@@H]2CCCC[C@@H]12 238256636 573030612 /nfs/dbraw/zinc/03/06/12/573030612.db2.gz XJUXULMTUIFNQX-GXSJLCMTSA-N 0 0 194.274 2.686 10 30 AFEERN CCCn1cc([C@H](C#N)C(C)C)cn1 259314362 573030645 /nfs/dbraw/zinc/03/06/45/573030645.db2.gz COAJXGWCWJKYML-LLVKDONJSA-N 0 0 191.278 2.556 10 30 AFEERN C=C(C)[C@H](C)OC(=O)c1ccsc1 308230463 573030725 /nfs/dbraw/zinc/03/07/25/573030725.db2.gz GJIUPHKUUGPTLQ-QMMMGPOBSA-N 0 0 196.271 2.870 10 30 AFEERN N#Cc1csc(-c2ccco2)c1 259313564 573031029 /nfs/dbraw/zinc/03/10/29/573031029.db2.gz ANJIJUOJQNKGJU-UHFFFAOYSA-N 0 0 175.212 2.880 10 30 AFEERN CO[C@H](CC=O)CC1CCCCC1 257930768 573031085 /nfs/dbraw/zinc/03/10/85/573031085.db2.gz SVWIJFDYLZPGGU-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN CC1=CC2(C=CC1=O)CCCC2 238256886 573031114 /nfs/dbraw/zinc/03/11/14/573031114.db2.gz ZYLIQETVVHPBAP-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN CC1=CC(=O)[C@H]2CCCC[C@@]12C 238255931 573031149 /nfs/dbraw/zinc/03/11/49/573031149.db2.gz KHRKMWQJWDELHQ-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CO[C@@H](CC=O)C1CCCCCC1 257931821 573031160 /nfs/dbraw/zinc/03/11/60/573031160.db2.gz SWTMBGRMTDJPIJ-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN CC1=C[C@](C)(CC=O)CCC1 238256350 573031368 /nfs/dbraw/zinc/03/13/68/573031368.db2.gz ZPFFPJDCWJPHGL-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN Cc1csc2ccc(O)c(C#N)c12 307006747 573031733 /nfs/dbraw/zinc/03/17/33/573031733.db2.gz GBAROSVTRANXLH-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN Cc1c(C#N)sc2cccc(N)c12 259620004 573031911 /nfs/dbraw/zinc/03/19/11/573031911.db2.gz GSSPOGQPWORJBT-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CCc1cccc(C(F)(F)C=O)c1 257931929 573031984 /nfs/dbraw/zinc/03/19/84/573031984.db2.gz SZWDUQWKJZFOBL-UHFFFAOYSA-N 0 0 184.185 2.540 10 30 AFEERN CC1=CC(C)(C)[C@@H]2CCC[C@@H]2C1=O 238256567 573031993 /nfs/dbraw/zinc/03/19/93/573031993.db2.gz CPCTXDYRSGJFQQ-VHSXEESVSA-N 0 0 178.275 2.958 10 30 AFEERN CCCC(=NN)c1ccc(Cl)cc1 308234916 573032107 /nfs/dbraw/zinc/03/21/07/573032107.db2.gz QLIHAXBHPBNCMW-UHFFFAOYSA-N 0 0 196.681 2.803 10 30 AFEERN C=CCC1(CC=C)C[C@@H]2C[C@@H]2[C@@H]1O 308235053 573032189 /nfs/dbraw/zinc/03/21/89/573032189.db2.gz VNZAKWAREUDHPH-DCAQKATOSA-N 0 0 178.275 2.526 10 30 AFEERN Cc1cccc2cc(CS)n(C)c12 257932005 573032208 /nfs/dbraw/zinc/03/22/08/573032208.db2.gz UBGHLBLNPVYIHH-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN Cc1cc(C)cc([C@@H](C)CC=O)c1 257695810 573032657 /nfs/dbraw/zinc/03/26/57/573032657.db2.gz NNPNUULCZYXICL-NSHDSACASA-N 0 0 176.259 2.996 10 30 AFEERN C=C[C@H]1C[C@@H]1C1=C(C)C(=O)CCC1 238249800 573032757 /nfs/dbraw/zinc/03/27/57/573032757.db2.gz PJCXURHEWBLKAF-ONGXEEELSA-N 0 0 176.259 2.878 10 30 AFEERN CO[C@H](CC=O)C1CCCCCC1 257931818 573032965 /nfs/dbraw/zinc/03/29/65/573032965.db2.gz SWTMBGRMTDJPIJ-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN C=C(C(F)(F)F)[C@@](O)(CC)C1CC1 308236587 573033022 /nfs/dbraw/zinc/03/30/22/573033022.db2.gz WGKCLJMHKKAVMX-QMMMGPOBSA-N 0 0 194.196 2.656 10 30 AFEERN C=C[C@H]1C[C@@]1(C)C1=C(C)C(=O)CC1 238249894 573033616 /nfs/dbraw/zinc/03/36/16/573033616.db2.gz JYZMKZFXEBOWIF-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN N#Cc1ccoc1-c1cccc(F)c1 259597845 573033165 /nfs/dbraw/zinc/03/31/65/573033165.db2.gz FBOFPMDLVKTYQP-UHFFFAOYSA-N 0 0 187.173 2.957 10 30 AFEERN C=CCC(=O)C[C@@H]1CC1(C)C 238249833 573033334 /nfs/dbraw/zinc/03/33/34/573033334.db2.gz HFVPMVSHXFEROF-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc([C@H](C)[C@H](C)C#N)o1 259597931 573033393 /nfs/dbraw/zinc/03/33/93/573033393.db2.gz CONNSCRPBWTXRJ-VXNVDRBHSA-N 0 0 163.220 2.851 10 30 AFEERN O=CC/C=C\C[C@@H]1CCCSC1 258230306 573033396 /nfs/dbraw/zinc/03/33/96/573033396.db2.gz PLODHAYGFJGQLP-JWXWKVPASA-N 0 0 184.304 2.665 10 30 AFEERN Cc1cc(C)cc([C@H](C)CC=O)c1 257695807 573033721 /nfs/dbraw/zinc/03/37/21/573033721.db2.gz NNPNUULCZYXICL-LLVKDONJSA-N 0 0 176.259 2.996 10 30 AFEERN C=C[C@@H](C)Sc1nnc(CCC)o1 308235845 573033768 /nfs/dbraw/zinc/03/37/68/573033768.db2.gz QTMAXHPFSRZPBO-SSDOTTSWSA-N 0 0 198.291 2.689 10 30 AFEERN CC[C@H](C#N)c1cc(C)sc1N 259597886 573033805 /nfs/dbraw/zinc/03/38/05/573033805.db2.gz FCAZNXJHFIXVAN-SSDOTTSWSA-N 0 0 180.276 2.656 10 30 AFEERN CC1(C)CCC(=O)[C@@H](CCC#N)C1 113819805 573033959 /nfs/dbraw/zinc/03/39/59/573033959.db2.gz XQIQVSONIPTHKK-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C=C[C@@H]1C[C@@]1(C)C1=C(C)C(=O)CC1 238249905 573034051 /nfs/dbraw/zinc/03/40/51/573034051.db2.gz JYZMKZFXEBOWIF-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCC1(CC=C)C[C@@H]2C[C@@H]2[C@H]1O 308235054 573034278 /nfs/dbraw/zinc/03/42/78/573034278.db2.gz VNZAKWAREUDHPH-GARJFASQSA-N 0 0 178.275 2.526 10 30 AFEERN Cc1ccc([C@@H](C)[C@H](C)C#N)o1 259597921 573034122 /nfs/dbraw/zinc/03/41/22/573034122.db2.gz CONNSCRPBWTXRJ-APPZFPTMSA-N 0 0 163.220 2.851 10 30 AFEERN CC[C@@H](C#N)c1cc(C)sc1N 259597890 573034182 /nfs/dbraw/zinc/03/41/82/573034182.db2.gz FCAZNXJHFIXVAN-ZETCQYMHSA-N 0 0 180.276 2.656 10 30 AFEERN Cc1cc(N=[N+]=[N-])c(C#N)c(C)n1 87975772 573034251 /nfs/dbraw/zinc/03/42/51/573034251.db2.gz BDQAQOKJAJOAMO-UHFFFAOYSA-N 0 0 173.179 2.512 10 30 AFEERN Cc1cc2cc(CC#N)ccc2n1C 259316818 573034334 /nfs/dbraw/zinc/03/43/34/573034334.db2.gz WFEQGBIYEAFTIP-UHFFFAOYSA-N 0 0 184.242 2.553 10 30 AFEERN CCC(CC)(CC)CN(C)CC#N 308235895 573034410 /nfs/dbraw/zinc/03/44/10/573034410.db2.gz QWABCDDZJVZLGR-UHFFFAOYSA-N 0 0 182.311 2.658 10 30 AFEERN CC1(C)CCC(=O)[C@H](CCC#N)C1 113819806 573034420 /nfs/dbraw/zinc/03/44/20/573034420.db2.gz XQIQVSONIPTHKK-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN C=C(C(F)(F)F)[C@](O)(CC)C1CC1 308236581 573034482 /nfs/dbraw/zinc/03/44/82/573034482.db2.gz WGKCLJMHKKAVMX-MRVPVSSYSA-N 0 0 194.196 2.656 10 30 AFEERN CC1=C([C@@H]2CO2)C(C)(C)CCC1 238249458 573034651 /nfs/dbraw/zinc/03/46/51/573034651.db2.gz MEGPRHCKGGCBIC-VIFPVBQESA-N 0 0 166.264 2.912 10 30 AFEERN CC1=C([C@H]2CC2(C)C)C(=O)CC1 238249720 573034676 /nfs/dbraw/zinc/03/46/76/573034676.db2.gz GMHSAMOJHXFBIN-MRVPVSSYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H]1C[C@@H]1C1=C(C)C(=O)CCC1 238249850 573035395 /nfs/dbraw/zinc/03/53/95/573035395.db2.gz PJCXURHEWBLKAF-KOLCDFICSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@H]1C[C@H]1C1=C(C)C(=O)CCC1 238249480 573035455 /nfs/dbraw/zinc/03/54/55/573035455.db2.gz PJCXURHEWBLKAF-GXSJLCMTSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@H]1C[C@]1(C)C1=C(C)C(=O)CC1 238249600 573035460 /nfs/dbraw/zinc/03/54/60/573035460.db2.gz JYZMKZFXEBOWIF-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=C([C@@H]2CC2(C)C)C(=O)CC1 238249373 573035728 /nfs/dbraw/zinc/03/57/28/573035728.db2.gz GMHSAMOJHXFBIN-QMMMGPOBSA-N 0 0 164.248 2.712 10 30 AFEERN CC(F)(F)[C@H](C#N)C1CCCC1 257926914 573035754 /nfs/dbraw/zinc/03/57/54/573035754.db2.gz SEPJEWKALSNORM-MRVPVSSYSA-N 0 0 173.206 2.972 10 30 AFEERN Cc1cccc2cc(CS)[nH]c12 257925858 573036046 /nfs/dbraw/zinc/03/60/46/573036046.db2.gz SEXBBMLLGGEYTC-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN C=C[C@@H]1C[C@]1(C)C1=C(C)C(=O)CC1 238249609 573036257 /nfs/dbraw/zinc/03/62/57/573036257.db2.gz JYZMKZFXEBOWIF-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccc([C@H](C)[C@@H](C)C#N)o1 259597928 573036336 /nfs/dbraw/zinc/03/63/36/573036336.db2.gz CONNSCRPBWTXRJ-IONNQARKSA-N 0 0 163.220 2.851 10 30 AFEERN CC[C@@H](C#N)c1sc(C)nc1C 259316317 573036358 /nfs/dbraw/zinc/03/63/58/573036358.db2.gz OBDWKYXVMWWABZ-QMMMGPOBSA-N 0 0 180.276 2.777 10 30 AFEERN CC1=C([C@H]2CO2)C(C)(C)CCC1 238249781 573036459 /nfs/dbraw/zinc/03/64/59/573036459.db2.gz MEGPRHCKGGCBIC-SECBINFHSA-N 0 0 166.264 2.912 10 30 AFEERN Cc1ccc([C@@H](C)[C@@H](C)C#N)o1 259597925 573036835 /nfs/dbraw/zinc/03/68/35/573036835.db2.gz CONNSCRPBWTXRJ-CBAPKCEASA-N 0 0 163.220 2.851 10 30 AFEERN C=C[C@@H]1C[C@H]1C1=C(C)C(=O)CCC1 238249534 573036954 /nfs/dbraw/zinc/03/69/54/573036954.db2.gz PJCXURHEWBLKAF-MWLCHTKSSA-N 0 0 176.259 2.878 10 30 AFEERN CCC[C@]1(C)CC(=O)C=C1C 238260430 573037545 /nfs/dbraw/zinc/03/75/45/573037545.db2.gz JWWAIFKZOVHOAE-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@@H](NOC)c1cccc(Cl)c1 308233190 573037059 /nfs/dbraw/zinc/03/70/59/573037059.db2.gz UQCGAMNIJJCCGP-SNVBAGLBSA-N 0 0 197.665 2.718 10 30 AFEERN Cc1ccc2ncc(C#N)c(C)c2c1 257927148 573037077 /nfs/dbraw/zinc/03/70/77/573037077.db2.gz SHNPIKMPZZARDX-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN CCCCCCCCCNOC 113820230 573037189 /nfs/dbraw/zinc/03/71/89/573037189.db2.gz LIYVGVMNRZKVNC-UHFFFAOYSA-N 0 0 173.300 2.888 10 30 AFEERN CC[C@H](C#N)c1sc(C)nc1C 259316316 573037412 /nfs/dbraw/zinc/03/74/12/573037412.db2.gz OBDWKYXVMWWABZ-MRVPVSSYSA-N 0 0 180.276 2.777 10 30 AFEERN CCc1c[nH]c2c(C#N)cccc12 259599518 573037686 /nfs/dbraw/zinc/03/76/86/573037686.db2.gz DCGMDTPLBPSTHK-UHFFFAOYSA-N 0 0 170.215 2.602 10 30 AFEERN C=C1CCC(=O)[C@H]1[C@@H]1CC1(C)C 238250371 573037761 /nfs/dbraw/zinc/03/77/61/573037761.db2.gz LIBGUSRIVQIMGK-WCBMZHEXSA-N 0 0 164.248 2.568 10 30 AFEERN CC[C@H](C#N)C(=O)C1CCC(C)CC1 123501159 573037804 /nfs/dbraw/zinc/03/78/04/573037804.db2.gz FRULNGUKFNEAHW-HSOILSAZSA-N 0 0 193.290 2.932 10 30 AFEERN C=CCCCCCCN[C@H](C)C#N 308233237 573038046 /nfs/dbraw/zinc/03/80/46/573038046.db2.gz UTMULQKKOGURDR-LLVKDONJSA-N 0 0 180.295 2.625 10 30 AFEERN CC(F)(F)[C@@H](C#N)C1CCCC1 257926918 573038189 /nfs/dbraw/zinc/03/81/89/573038189.db2.gz SEPJEWKALSNORM-QMMMGPOBSA-N 0 0 173.206 2.972 10 30 AFEERN C=C(C)C[C@H](C)C(=O)CC 82442726 573038220 /nfs/dbraw/zinc/03/82/20/573038220.db2.gz OVSNKBXYKXQRKX-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN CC1=CC[C@H]2CC(=O)C=C[C@@]2(C)C1 238260538 573038470 /nfs/dbraw/zinc/03/84/70/573038470.db2.gz SFCOUUAKDRFRIH-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@H]1CCC(=O)[C@@H]1CC#CCC 224806486 573039363 /nfs/dbraw/zinc/03/93/63/573039363.db2.gz MXYPPLCHPPJEQG-GHMZBOCLSA-N 0 0 176.259 2.571 10 30 AFEERN C=C1CCC(=O)[C@@H]1[C@@H]1CC1(C)C 238250290 573039399 /nfs/dbraw/zinc/03/93/99/573039399.db2.gz LIBGUSRIVQIMGK-WPRPVWTQSA-N 0 0 164.248 2.568 10 30 AFEERN CCC[C@@]12C=CC(=O)[C@H]1CCC2 238262562 573039538 /nfs/dbraw/zinc/03/95/38/573039538.db2.gz HMUGHVDDXWPYNS-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(CC)Cc1ccccc1N 224812390 573039485 /nfs/dbraw/zinc/03/94/85/573039485.db2.gz OOQHQRWIOVPUBW-UHFFFAOYSA-N 0 0 161.248 2.778 10 30 AFEERN C=C[C@@H](O)C(C1CCC1)C1CCC1 308237070 573039501 /nfs/dbraw/zinc/03/95/01/573039501.db2.gz WPAIYKLVDGVUJO-LLVKDONJSA-N 0 0 180.291 2.750 10 30 AFEERN CCC[C@@]12C=CC(=O)[C@@H]1CCC2 238262572 573039759 /nfs/dbraw/zinc/03/97/59/573039759.db2.gz HMUGHVDDXWPYNS-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN CCC(CC)ON=C(N)CC(C)C 308233770 573039873 /nfs/dbraw/zinc/03/98/73/573039873.db2.gz QALPRYYAYQHYEJ-UHFFFAOYSA-N 0 0 186.299 2.510 10 30 AFEERN CC[C@@H](C#N)C(=O)C1CCC(C)CC1 123500895 573039971 /nfs/dbraw/zinc/03/99/71/573039971.db2.gz FRULNGUKFNEAHW-YVNMAJEFSA-N 0 0 193.290 2.932 10 30 AFEERN CC1=CC[C@H]2CC(=O)C=C[C@]2(C)C1 238260544 573040081 /nfs/dbraw/zinc/04/00/81/573040081.db2.gz SFCOUUAKDRFRIH-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@H](O)C(C1CCC1)C1CCC1 308237074 573040678 /nfs/dbraw/zinc/04/06/78/573040678.db2.gz WPAIYKLVDGVUJO-NSHDSACASA-N 0 0 180.291 2.750 10 30 AFEERN CC1CCC(C(=O)[C@H](C)C#N)CC1 123499671 573040765 /nfs/dbraw/zinc/04/07/65/573040765.db2.gz WWVLSSDXJKRVLJ-HWOCKDDLSA-N 0 0 179.263 2.541 10 30 AFEERN C=C1CC[C@@]2(C)CCC(=O)[C@]12C 224816572 573040934 /nfs/dbraw/zinc/04/09/34/573040934.db2.gz VKOQSXSLLYFKNK-QWRGUYRKSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@H]1CCC(=O)[C@@H]1CC#CCC 224806581 573041086 /nfs/dbraw/zinc/04/10/86/573041086.db2.gz MXYPPLCHPPJEQG-WDEREUQCSA-N 0 0 176.259 2.571 10 30 AFEERN C=C(C(C)=O)C(C)(C)CC 238250292 573041235 /nfs/dbraw/zinc/04/12/35/573041235.db2.gz JJARTHJACWYFID-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN CCc1occ(C2CC2)c1C#N 259599961 573041246 /nfs/dbraw/zinc/04/12/46/573041246.db2.gz CRUUCSWZOUYTFT-UHFFFAOYSA-N 0 0 161.204 2.591 10 30 AFEERN C=C1CC[C@]2(C)CCC(=O)[C@@]12C 224816526 573041666 /nfs/dbraw/zinc/04/16/66/573041666.db2.gz VKOQSXSLLYFKNK-GHMZBOCLSA-N 0 0 164.248 2.712 10 30 AFEERN N#CC[C@@H]1CCOc2ccccc2C1 259598073 573041670 /nfs/dbraw/zinc/04/16/70/573041670.db2.gz FDTLFLRTWSEJDK-SNVBAGLBSA-N 0 0 187.242 2.541 10 30 AFEERN CCC[C@]1(C)CCCC(=O)C1=O 238260537 573041675 /nfs/dbraw/zinc/04/16/75/573041675.db2.gz FODOYUBVNPJLEX-SNVBAGLBSA-N 0 0 168.236 2.598 10 30 AFEERN CC1CCC(C(=O)[C@@H](C)C#N)CC1 123499330 573041693 /nfs/dbraw/zinc/04/16/93/573041693.db2.gz WWVLSSDXJKRVLJ-KYHHOPLUSA-N 0 0 179.263 2.541 10 30 AFEERN C=C(C[C@H](O)CC)[Si](C)(C)C 238268733 573042407 /nfs/dbraw/zinc/04/24/07/573042407.db2.gz WQRQNRLAXGNECD-SECBINFHSA-N 0 0 172.344 2.581 10 30 AFEERN N#CC[C@H]1CCOc2ccccc2C1 259598070 573042414 /nfs/dbraw/zinc/04/24/14/573042414.db2.gz FDTLFLRTWSEJDK-JTQLQIEISA-N 0 0 187.242 2.541 10 30 AFEERN C=C[C@@H]1CCC(=O)[C@H]1CC#CCC 224806534 573042718 /nfs/dbraw/zinc/04/27/18/573042718.db2.gz MXYPPLCHPPJEQG-MNOVXSKESA-N 0 0 176.259 2.571 10 30 AFEERN C=C(C)CC[C@@H](C=O)CC 238260533 573042794 /nfs/dbraw/zinc/04/27/94/573042794.db2.gz QXBORFRLJCTFDY-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN Cc1ccc2c(ccn2CCC=O)c1 82452322 573043384 /nfs/dbraw/zinc/04/33/84/573043384.db2.gz HIPSRILKOGYANG-UHFFFAOYSA-N 0 0 187.242 2.539 10 30 AFEERN C=CCC[C@@H](CC)Nc1c[nH]cn1 308248195 573043532 /nfs/dbraw/zinc/04/35/32/573043532.db2.gz YYSVVDDTKMTFDA-SECBINFHSA-N 0 0 179.267 2.566 10 30 AFEERN C=C[C@@H]1CC(=O)CC[C@@H]1C(=C)C 223860829 573043602 /nfs/dbraw/zinc/04/36/02/573043602.db2.gz NHPUWRDNRVVBBT-MWLCHTKSSA-N 0 0 164.248 2.734 10 30 AFEERN C=CCC[C@H](CC)Nc1c[nH]cn1 308248196 573043785 /nfs/dbraw/zinc/04/37/85/573043785.db2.gz YYSVVDDTKMTFDA-VIFPVBQESA-N 0 0 179.267 2.566 10 30 AFEERN C=C[C@@H]1CC(=O)CC[C@H]1C(=C)C 223860769 573044187 /nfs/dbraw/zinc/04/41/87/573044187.db2.gz NHPUWRDNRVVBBT-KOLCDFICSA-N 0 0 164.248 2.734 10 30 AFEERN C=CC[C@H](CC)OC(=O)/C=C/CC 308248242 573044817 /nfs/dbraw/zinc/04/48/17/573044817.db2.gz ZBAWLTZXYZCDMD-PCYYEKQGSA-N 0 0 182.263 2.851 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C=C\CCC 308247617 573044578 /nfs/dbraw/zinc/04/45/78/573044578.db2.gz XWZCDIGALYDGBK-QROTZFDESA-N 0 0 182.263 2.851 10 30 AFEERN C=C[C@@]12CC(=O)CC[C@H]1CC=C2C 238259256 573044682 /nfs/dbraw/zinc/04/46/82/573044682.db2.gz OIYTYNFOXKZKFS-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC[C@@H]2CCC2=CC(=O)C1 238259310 573044899 /nfs/dbraw/zinc/04/48/99/573044899.db2.gz KIOPFFIQFQVCJB-SECBINFHSA-N 0 0 162.232 2.632 10 30 AFEERN C=CC[C@H](CC)OC(=O)/C=C\CC 308248243 573045097 /nfs/dbraw/zinc/04/50/97/573045097.db2.gz ZBAWLTZXYZCDMD-RNKPRXRFSA-N 0 0 182.263 2.851 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@@H]1CCC 308247515 573045245 /nfs/dbraw/zinc/04/52/45/573045245.db2.gz XRTFPXBTQLFYAD-LPEHRKFASA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@H]1CCC 308247514 573045417 /nfs/dbraw/zinc/04/54/17/573045417.db2.gz XRTFPXBTQLFYAD-IVZWLZJFSA-N 0 0 182.263 2.540 10 30 AFEERN COc1ccc(Cl)c([C@H](C)C=O)c1 113920892 573046980 /nfs/dbraw/zinc/04/69/80/573046980.db2.gz PGIFPQALRHQWRO-SSDOTTSWSA-N 0 0 198.649 2.651 10 30 AFEERN N#Cc1cccc2c1CCCCC2 259652014 573045713 /nfs/dbraw/zinc/04/57/13/573045713.db2.gz JYVITBJOIUTYGN-UHFFFAOYSA-N 0 0 171.243 2.827 10 30 AFEERN CC(F)(F)Cc1ccc(C#N)cc1 257935337 573045992 /nfs/dbraw/zinc/04/59/92/573045992.db2.gz CGPJCLKIRFSZLH-UHFFFAOYSA-N 0 0 181.185 2.756 10 30 AFEERN C=C[C@H]1CC(=O)CC[C@H]1C(=C)C 223860664 573046016 /nfs/dbraw/zinc/04/60/16/573046016.db2.gz NHPUWRDNRVVBBT-ONGXEEELSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1C[C@H]1CCC 308247512 573046104 /nfs/dbraw/zinc/04/61/04/573046104.db2.gz XRTFPXBTQLFYAD-AEJSXWLSSA-N 0 0 182.263 2.540 10 30 AFEERN CC1=CC[C@@H]2CC(=O)C=C[C@@]2(C)C1 238259112 573046164 /nfs/dbraw/zinc/04/61/64/573046164.db2.gz SFCOUUAKDRFRIH-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN CC[C@H](O)C[C@H](S)c1ccccc1 308234487 573046222 /nfs/dbraw/zinc/04/62/22/573046222.db2.gz VHNDQZYSLOPBIX-QWRGUYRKSA-N 0 0 196.315 2.819 10 30 AFEERN CC#C[C@](C)([NH2+]CC)c1ccccc1 238257758 573046328 /nfs/dbraw/zinc/04/63/28/573046328.db2.gz CHGSQXIPYSHQQB-ZDUSSCGKSA-N 0 0 187.286 2.535 10 30 AFEERN CC1=CC[C@@H](C2(C)CC2)CC1=O 238258593 573046507 /nfs/dbraw/zinc/04/65/07/573046507.db2.gz MOAVYXZPPGRRPB-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@H]1CC(=O)CC[C@@H]1C(=C)C 223860724 573046579 /nfs/dbraw/zinc/04/65/79/573046579.db2.gz NHPUWRDNRVVBBT-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN O=C[C@H](F)c1ccc(Cl)s1 257935909 573046900 /nfs/dbraw/zinc/04/69/00/573046900.db2.gz UFOAWQKGTFORDJ-BYPYZUCNSA-N 0 0 178.615 2.611 10 30 AFEERN CC1=CC[C@@H]2CC(=O)C=C[C@]2(C)C1 238259120 573047187 /nfs/dbraw/zinc/04/71/87/573047187.db2.gz SFCOUUAKDRFRIH-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CCC=CC(=O)Cc1ccc(F)cc1 393655841 573047256 /nfs/dbraw/zinc/04/72/56/573047256.db2.gz ISNYUWVKKLAPST-ARJAWSKDSA-N 0 0 192.233 2.904 10 30 AFEERN CCCCN=NCC1(C)CCCC1 308247474 573047311 /nfs/dbraw/zinc/04/73/11/573047311.db2.gz XPTMXSNUCGSUKX-UHFFFAOYSA-N 0 0 182.311 2.942 10 30 AFEERN C=C[C@H](CC)OC(=O)/C=C\CCC 308247616 573047588 /nfs/dbraw/zinc/04/75/88/573047588.db2.gz XWZCDIGALYDGBK-HSTULFTRSA-N 0 0 182.263 2.851 10 30 AFEERN O=C[C@@H](F)c1ccc(Cl)s1 257935910 573047690 /nfs/dbraw/zinc/04/76/90/573047690.db2.gz UFOAWQKGTFORDJ-SCSAIBSYSA-N 0 0 178.615 2.611 10 30 AFEERN CC1=CC[C@@H]2CCC[C@@H]2CC1=O 238259453 573047862 /nfs/dbraw/zinc/04/78/62/573047862.db2.gz PBUXFEXNOGJAFL-VHSXEESVSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)(C)c1ccc(F)cc1C#N 224550708 573048128 /nfs/dbraw/zinc/04/81/28/573048128.db2.gz HTNQEYRRFZCAEL-UHFFFAOYSA-N 0 0 177.222 2.995 10 30 AFEERN C=CCCSc1nccn1CCC 308248164 573048135 /nfs/dbraw/zinc/04/81/35/573048135.db2.gz YXDVGEYESPPBHJ-UHFFFAOYSA-N 0 0 196.319 2.961 10 30 AFEERN C=CC[C@@H](CC)OC(=O)/C=C/CC 308248244 573048218 /nfs/dbraw/zinc/04/82/18/573048218.db2.gz ZBAWLTZXYZCDMD-TTZKWOQHSA-N 0 0 182.263 2.851 10 30 AFEERN CC1=CC[C@@H]2CCC[C@H]2CC1=O 238259466 573048262 /nfs/dbraw/zinc/04/82/62/573048262.db2.gz PBUXFEXNOGJAFL-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)=CCNc1ccccc1C#N 220140421 573048283 /nfs/dbraw/zinc/04/82/83/573048283.db2.gz NXRNFNWEKYHBSD-UHFFFAOYSA-N 0 0 186.258 2.936 10 30 AFEERN C=C[C@]12CC(=O)CC[C@H]1CC=C2C 238259228 573048428 /nfs/dbraw/zinc/04/84/28/573048428.db2.gz OIYTYNFOXKZKFS-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CCC2(CCCC2)CC1=O 238257669 573048442 /nfs/dbraw/zinc/04/84/42/573048442.db2.gz GKQBRHQDJSUAKG-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CC[C@H](O)C[C@@H](S)c1ccccc1 308234488 573048547 /nfs/dbraw/zinc/04/85/47/573048547.db2.gz VHNDQZYSLOPBIX-WDEREUQCSA-N 0 0 196.315 2.819 10 30 AFEERN C[C@]1(COC2CCCCCC2)CO1 85501872 573048628 /nfs/dbraw/zinc/04/86/28/573048628.db2.gz AQAAJWZRWVBFLX-NSHDSACASA-N 0 0 184.279 2.515 10 30 AFEERN Cc1ccc(SC[C@]2(C)CO2)cc1 85502015 573048680 /nfs/dbraw/zinc/04/86/80/573048680.db2.gz LESHJVSLAPQOJS-NSHDSACASA-N 0 0 194.299 2.876 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1C[C@@H]1CCC 308247513 573048701 /nfs/dbraw/zinc/04/87/01/573048701.db2.gz XRTFPXBTQLFYAD-GUBZILKMSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@H]1CC(OC[C@]2(C)CO2)C[C@H](C)C1 85501976 573048725 /nfs/dbraw/zinc/04/87/25/573048725.db2.gz MBBHOLXTUKPENT-CKYFFXLPSA-N 0 0 198.306 2.617 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C=C/CCC 308247615 573048867 /nfs/dbraw/zinc/04/88/67/573048867.db2.gz XWZCDIGALYDGBK-DDXVTDLHSA-N 0 0 182.263 2.851 10 30 AFEERN CC[C@@H](C)C#Cc1ccccc1C=O 238258414 573048790 /nfs/dbraw/zinc/04/87/90/573048790.db2.gz LWLYIBHKAMECJD-LLVKDONJSA-N 0 0 186.254 2.897 10 30 AFEERN Cc1ccc(Cl)c(/C=N/O)c1F 114043563 573049045 /nfs/dbraw/zinc/04/90/45/573049045.db2.gz POMVNDJNHPDSPO-NYYWCZLTSA-N 0 0 187.601 2.596 10 30 AFEERN C[C@@]1(CSc2ccc(F)cc2)CO1 85502030 573049392 /nfs/dbraw/zinc/04/93/92/573049392.db2.gz LQDBQEGQXIOHNM-JTQLQIEISA-N 0 0 198.262 2.707 10 30 AFEERN C=CC(=O)c1cnc2ccsc2c1 88040353 573049516 /nfs/dbraw/zinc/04/95/16/573049516.db2.gz JWPJKLREPMPYKD-UHFFFAOYSA-N 0 0 189.239 2.665 10 30 AFEERN C[C@H]1C[C@@H](OC[C@]2(C)CO2)CC[C@H]1C 85501977 573049541 /nfs/dbraw/zinc/04/95/41/573049541.db2.gz UFGUCLHKYDMBAU-NOOOWODRSA-N 0 0 198.306 2.617 10 30 AFEERN C[C@@]1(CSc2ccccc2)CO1 85502006 573049588 /nfs/dbraw/zinc/04/95/88/573049588.db2.gz OORCPSQXQLJQCY-JTQLQIEISA-N 0 0 180.272 2.568 10 30 AFEERN C[C@]1(CSc2cccs2)CO1 85502075 573049604 /nfs/dbraw/zinc/04/96/04/573049604.db2.gz QJWRCCYIVOYENY-MRVPVSSYSA-N 0 0 186.301 2.629 10 30 AFEERN Cc1ccc(SC[C@@]2(C)CO2)cc1 85502016 573049687 /nfs/dbraw/zinc/04/96/87/573049687.db2.gz LESHJVSLAPQOJS-LLVKDONJSA-N 0 0 194.299 2.876 10 30 AFEERN C[C@]1(CSc2ccccc2F)CO1 85502019 573050376 /nfs/dbraw/zinc/05/03/76/573050376.db2.gz DHARQYIHXILIIH-SNVBAGLBSA-N 0 0 198.262 2.707 10 30 AFEERN CO[C@H](C#N)c1ccc(F)c(Cl)c1 88047026 573050388 /nfs/dbraw/zinc/05/03/88/573050388.db2.gz NOTSJYXDHZAARA-SECBINFHSA-N 0 0 199.612 2.690 10 30 AFEERN C=C[C@@](C)(CC)COC(=O)CCC 308248623 573050421 /nfs/dbraw/zinc/05/04/21/573050421.db2.gz ZTAHJJULGOWHHV-NSHDSACASA-N 0 0 184.279 2.932 10 30 AFEERN CO[C@@H](C#N)c1ccc(F)c(Cl)c1 88047025 573050437 /nfs/dbraw/zinc/05/04/37/573050437.db2.gz NOTSJYXDHZAARA-VIFPVBQESA-N 0 0 199.612 2.690 10 30 AFEERN C[C@]1(CSc2ccccc2)CO1 85502005 573050460 /nfs/dbraw/zinc/05/04/60/573050460.db2.gz OORCPSQXQLJQCY-SNVBAGLBSA-N 0 0 180.272 2.568 10 30 AFEERN CCCc1ccc([C@@H](O)CS)cc1 259319394 573051065 /nfs/dbraw/zinc/05/10/65/573051065.db2.gz UEHBIJXWGILBPI-NSHDSACASA-N 0 0 196.315 2.602 10 30 AFEERN Cc1ccccc1SC[C@@]1(C)CO1 85502108 573052215 /nfs/dbraw/zinc/05/22/15/573052215.db2.gz QJQSBRVMHANCSE-LLVKDONJSA-N 0 0 194.299 2.876 10 30 AFEERN C/C=C\CSc1cc(C#N)ccn1 308250132 573052264 /nfs/dbraw/zinc/05/22/64/573052264.db2.gz AQCPTCNHONDHEZ-IHWYPQMZSA-N 0 0 190.271 2.621 10 30 AFEERN CCC[C@@H](C)[C@H]1C=CC(=O)[C@@H]1C 238260126 573052317 /nfs/dbraw/zinc/05/23/17/573052317.db2.gz VARRDUIDPXDDFB-OPRDCNLKSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@]1(CSC2CCCCC2)CO1 85502111 573052389 /nfs/dbraw/zinc/05/23/89/573052389.db2.gz LNHQVXTWYOFPAG-SNVBAGLBSA-N 0 0 186.320 2.841 10 30 AFEERN CC[C@@H](O)[C@@H](C)C#CC1=CCCCC1 238273767 573052433 /nfs/dbraw/zinc/05/24/33/573052433.db2.gz ZKQRCBFBBICWRU-WCQYABFASA-N 0 0 192.302 2.897 10 30 AFEERN CC1=C[C@]2(C=CC1=O)CC=CCC2 143914901 573052505 /nfs/dbraw/zinc/05/25/05/573052505.db2.gz SYIIFYHIOZIQJU-GFCCVEGCSA-N 0 0 174.243 2.798 10 30 AFEERN CCC[C@H](C=NN)c1ccccc1 308248709 573052568 /nfs/dbraw/zinc/05/25/68/573052568.db2.gz ZXODRWUGWAIHIR-LLVKDONJSA-N 0 0 176.263 2.515 10 30 AFEERN CC(C)(C)[C@H](C=O)c1ccccc1O 259599221 573052632 /nfs/dbraw/zinc/05/26/32/573052632.db2.gz DALYFJRLWMCFIZ-SNVBAGLBSA-N 0 0 192.258 2.721 10 30 AFEERN Cc1cccc(SC[C@@]2(C)CO2)c1 85502122 573052849 /nfs/dbraw/zinc/05/28/49/573052849.db2.gz JDWVHPSDKOXJQA-LLVKDONJSA-N 0 0 194.299 2.876 10 30 AFEERN CCC[C@]1(C)C=CC=C(C)C1=O 238260357 573053358 /nfs/dbraw/zinc/05/33/58/573053358.db2.gz GCEQQHTVGTVOJD-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN CC1=CC[C@H](C2(C)CC2)CC1=O 238260127 573053367 /nfs/dbraw/zinc/05/33/67/573053367.db2.gz MOAVYXZPPGRRPB-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN CCC[C@H](O)C#Cc1ccc(C)cc1 238260003 573053535 /nfs/dbraw/zinc/05/35/35/573053535.db2.gz BSTXJCGESTWJCO-ZDUSSCGKSA-N 0 0 188.270 2.508 10 30 AFEERN CCC[C@H](C)[C@H]1C=CC(=O)[C@@H]1C 238259906 573053555 /nfs/dbraw/zinc/05/35/55/573053555.db2.gz VARRDUIDPXDDFB-IVZWLZJFSA-N 0 0 166.264 2.814 10 30 AFEERN CC1=CC[C@@H]2C[C@H](C=O)CC[C@@]12C 238259538 573053613 /nfs/dbraw/zinc/05/36/13/573053613.db2.gz SFDCDYJGVJQFQG-UTUOFQBUSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cc(C)c(C)c(CCC=O)c1 257933098 573053941 /nfs/dbraw/zinc/05/39/41/573053941.db2.gz BXKVSXGVXLVNJH-UHFFFAOYSA-N 0 0 176.259 2.743 10 30 AFEERN CCC[C@@](C#N)(CC)N[C@@H](C)CC 233318299 573054014 /nfs/dbraw/zinc/05/40/14/573054014.db2.gz LHJTUUBBNIPDFR-WDEREUQCSA-N 0 0 182.311 2.847 10 30 AFEERN CC1=C[C@@]2(C=CC1=O)CC=CCC2 143914703 573054045 /nfs/dbraw/zinc/05/40/45/573054045.db2.gz SYIIFYHIOZIQJU-LBPRGKRZSA-N 0 0 174.243 2.798 10 30 AFEERN Cc1ccc([C@@](C)(F)C=O)cc1C 257937120 573054049 /nfs/dbraw/zinc/05/40/49/573054049.db2.gz UIQATIUFJKJAOH-NSHDSACASA-N 0 0 180.222 2.687 10 30 AFEERN CC1(C)CCC[C@@H]1NN=CC1CC1 308248959 573054051 /nfs/dbraw/zinc/05/40/51/573054051.db2.gz AHNJDRJKUWXRBJ-JTQLQIEISA-N 0 0 180.295 2.551 10 30 AFEERN CC1(C)CCC[C@H]1N=NCC1CC1 308248967 573054176 /nfs/dbraw/zinc/05/41/76/573054176.db2.gz AHNJDRJKUWXRBJ-SNVBAGLBSA-N 0 0 180.295 2.551 10 30 AFEERN CCC[C@@H](C=NN)c1ccccc1 308248710 573054417 /nfs/dbraw/zinc/05/44/17/573054417.db2.gz ZXODRWUGWAIHIR-NSHDSACASA-N 0 0 176.263 2.515 10 30 AFEERN N#Cc1cccc(F)c1OC1CCC1 165831963 573054609 /nfs/dbraw/zinc/05/46/09/573054609.db2.gz NLEVRGKYONWZIN-UHFFFAOYSA-N 0 0 191.205 2.629 10 30 AFEERN C=C(CC)C[C@@]1(C=O)CCCS1 317632648 573054672 /nfs/dbraw/zinc/05/46/72/573054672.db2.gz WOCNMRWEQLSMRJ-SNVBAGLBSA-N 0 0 184.304 2.807 10 30 AFEERN CC(C)(C)[C@@H](C=O)c1ccccc1O 259599202 573054744 /nfs/dbraw/zinc/05/47/44/573054744.db2.gz DALYFJRLWMCFIZ-JTQLQIEISA-N 0 0 192.258 2.721 10 30 AFEERN CC[C@@H](C)CC(=O)/C=C/Cl 238262283 573055395 /nfs/dbraw/zinc/05/53/95/573055395.db2.gz CTCWOGJVFWGSLD-SMMXGFFBSA-N 0 0 160.644 2.744 10 30 AFEERN C=C[C@H](C)Sc1nnc(CCC)o1 308235846 573055693 /nfs/dbraw/zinc/05/56/93/573055693.db2.gz QTMAXHPFSRZPBO-ZETCQYMHSA-N 0 0 198.291 2.689 10 30 AFEERN CCc1cc(CCC=O)ccc1C 257936717 573055725 /nfs/dbraw/zinc/05/57/25/573055725.db2.gz CJSPFEKQKJUDGN-UHFFFAOYSA-N 0 0 176.259 2.689 10 30 AFEERN C=C[C@H]1CC=C(CCO)C[C@@H]1C=C 308240968 573056249 /nfs/dbraw/zinc/05/62/49/573056249.db2.gz YKCDOWNHXRDRPQ-RYUDHWBXSA-N 0 0 178.275 2.693 10 30 AFEERN C=CC(=C)[C@@H]1CCC[C@H]1[C@H](O)C=C 308239638 573056256 /nfs/dbraw/zinc/05/62/56/573056256.db2.gz XMHCUMFCCMXYRV-QJPTWQEYSA-N 0 0 178.275 2.692 10 30 AFEERN C[C@@]1(C2CCCC2)CC=CC1=O 141881603 573056488 /nfs/dbraw/zinc/05/64/88/573056488.db2.gz TWYAWKZHHZCDOA-NSHDSACASA-N 0 0 164.248 2.712 10 30 AFEERN C#CC[C@H](C)[C@H](O)/C=C\[C@@H](C)CCC 308487145 573057076 /nfs/dbraw/zinc/05/70/76/573057076.db2.gz MVZYLGSSLGRPLP-AUPXKVPFSA-N 0 0 194.318 2.999 10 30 AFEERN C=C1[C@H](CC(C)=O)[C@]1(C)CC 238274335 573057031 /nfs/dbraw/zinc/05/70/31/573057031.db2.gz YZAPXZCVPJLOAI-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN COc1cc(Cl)ccc1CCC#N 114158210 573057151 /nfs/dbraw/zinc/05/71/51/573057151.db2.gz KLTHDRGJDHIALF-UHFFFAOYSA-N 0 0 195.649 2.805 10 30 AFEERN CCCCC1=CC=C(C)C1=O 238263288 573057276 /nfs/dbraw/zinc/05/72/76/573057276.db2.gz HDPRGYQBGNZGNL-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC[C@]1(C)C(C)=C(C)C(=O)[C@@H]1C 238274188 573057376 /nfs/dbraw/zinc/05/73/76/573057376.db2.gz BRDGDDIDQWTUCW-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN COc1ccc([C@@H](C)CC=O)c(F)c1 107186606 573058491 /nfs/dbraw/zinc/05/84/91/573058491.db2.gz IBYGTTDPIVNWTM-QMMMGPOBSA-N 0 0 196.221 2.527 10 30 AFEERN CC[C@]1(C)C(=O)C(C)=CC[C@@H]1C 238274225 573058493 /nfs/dbraw/zinc/05/84/93/573058493.db2.gz SCLTXJHQLDFZDI-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=C)[C@@H]1CCC[C@@H]1[C@@H](O)C=C 308239640 573058783 /nfs/dbraw/zinc/05/87/83/573058783.db2.gz XMHCUMFCCMXYRV-SRVKXCTJSA-N 0 0 178.275 2.692 10 30 AFEERN C#C[C@H](C)OC(=O)CCCCCC 308240362 573058945 /nfs/dbraw/zinc/05/89/45/573058945.db2.gz SLOJJANCPDMJKN-JTQLQIEISA-N 0 0 182.263 2.522 10 30 AFEERN C#CC[C@H](C)[C@H](O)/C=C\[C@H](C)CCC 308487147 573059215 /nfs/dbraw/zinc/05/92/15/573059215.db2.gz MVZYLGSSLGRPLP-SMCOXGTQSA-N 0 0 194.318 2.999 10 30 AFEERN CC1=C(C)[C@H](C=O)[C@H](C)CC1 114148033 573059836 /nfs/dbraw/zinc/05/98/36/573059836.db2.gz IICAKMKYYHFCBE-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=C)[C@@H]1CCC[C@H]1[C@@H](O)C=C 308239641 573059529 /nfs/dbraw/zinc/05/95/29/573059529.db2.gz XMHCUMFCCMXYRV-TUAOUCFPSA-N 0 0 178.275 2.692 10 30 AFEERN C#CC[C@H](C)[C@H](O)/C=C/[C@H](C)CCC 308487143 573059758 /nfs/dbraw/zinc/05/97/58/573059758.db2.gz MVZYLGSSLGRPLP-ALKQTDCOSA-N 0 0 194.318 2.999 10 30 AFEERN CCSC(C(C)=O)=C(C)C 238274504 573059759 /nfs/dbraw/zinc/05/97/59/573059759.db2.gz LDKBKKPTXWWHKI-UHFFFAOYSA-N 0 0 158.266 2.622 10 30 AFEERN C=C[C@H](CCC)CC(C)=O 238263345 573060044 /nfs/dbraw/zinc/06/00/44/573060044.db2.gz RWIANEJHINBUFB-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@H]([C@H](O)CC)[Si](C)(C)C 238274459 573060088 /nfs/dbraw/zinc/06/00/88/573060088.db2.gz KCOHVBWMPDVTCP-RKDXNWHRSA-N 0 0 172.344 2.652 10 30 AFEERN C[C@](F)(C=O)c1cccc(Cl)c1 257938717 573060131 /nfs/dbraw/zinc/06/01/31/573060131.db2.gz URUVZISLJJTAFU-VIFPVBQESA-N 0 0 186.613 2.724 10 30 AFEERN CC[C@]1(C)C(C)=C(C)C(=O)[C@H]1C 238274714 573060178 /nfs/dbraw/zinc/06/01/78/573060178.db2.gz BRDGDDIDQWTUCW-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1c(C)c(Cl)c(C)c(C#N)c1O 259320438 573060598 /nfs/dbraw/zinc/06/05/98/573060598.db2.gz FYAHITQDRJDGJW-UHFFFAOYSA-N 0 0 195.649 2.843 10 30 AFEERN CC[C@H](C)[C@@H]1C=CC[C@@H](C=O)C1 238274494 573060414 /nfs/dbraw/zinc/06/04/14/573060414.db2.gz BFRDDUBCDNGGLF-HBNTYKKESA-N 0 0 166.264 2.814 10 30 AFEERN CC1=C(C)[C@@H](C=O)[C@H](C)CC1 114148037 573060431 /nfs/dbraw/zinc/06/04/31/573060431.db2.gz IICAKMKYYHFCBE-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN CC1(C)CCC2(CC1)C[C@@H]2C=O 258474828 573060515 /nfs/dbraw/zinc/06/05/15/573060515.db2.gz ISAOCOLNWXYXMU-SECBINFHSA-N 0 0 166.264 2.792 10 30 AFEERN N#CCCc1ccc(Cl)cc1O 114155895 573060699 /nfs/dbraw/zinc/06/06/99/573060699.db2.gz HQJYCTZLXOYDSL-UHFFFAOYSA-N 0 0 181.622 2.502 10 30 AFEERN C=C[C@@H](C=C(C)C)[C@H](O)CC 238274443 573060955 /nfs/dbraw/zinc/06/09/55/573060955.db2.gz LAXHOIAFZIWAKF-VHSXEESVSA-N 0 0 154.253 2.526 10 30 AFEERN C=CC[C@@H](CC)OC(=O)/C(C)=C/C 308243741 573061977 /nfs/dbraw/zinc/06/19/77/573061977.db2.gz UBBIPZYQYCKKQD-OLKPEBQYSA-N 0 0 182.263 2.851 10 30 AFEERN C=CCc1noc([C@H](C)CCC)n1 308244819 573062015 /nfs/dbraw/zinc/06/20/15/573062015.db2.gz UTISHESHXMGBPT-MRVPVSSYSA-N 0 0 180.251 2.702 10 30 AFEERN CCCNN=C1CC[C@@H](C2CC2)C1 308492459 573062484 /nfs/dbraw/zinc/06/24/84/573062484.db2.gz RSASUSYUNXBQJD-SNVBAGLBSA-N 0 0 180.295 2.552 10 30 AFEERN CC1(C)CCC2(CC1)C[C@H]2C=O 258474830 573063524 /nfs/dbraw/zinc/06/35/24/573063524.db2.gz ISAOCOLNWXYXMU-VIFPVBQESA-N 0 0 166.264 2.792 10 30 AFEERN C=CCc1noc([C@@H](C)CCC)n1 308244820 573063958 /nfs/dbraw/zinc/06/39/58/573063958.db2.gz UTISHESHXMGBPT-QMMMGPOBSA-N 0 0 180.251 2.702 10 30 AFEERN CC1=C(C)[C@H](C=O)[C@@H](C)CC1 114148035 573063961 /nfs/dbraw/zinc/06/39/61/573063961.db2.gz IICAKMKYYHFCBE-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN C#CC1CCC(C(F)F)CC1 307012356 573064182 /nfs/dbraw/zinc/06/41/82/573064182.db2.gz MENYBOKGXYILMJ-UHFFFAOYSA-N 0 0 158.191 2.691 10 30 AFEERN Cc1cccc(C#N)c1OC1CCC1 221148127 573064412 /nfs/dbraw/zinc/06/44/12/573064412.db2.gz NOQCJQFDPOZODX-UHFFFAOYSA-N 0 0 187.242 2.798 10 30 AFEERN CCCN[C@@H](C#N)C(C(C)C)C(C)C 308494484 573064702 /nfs/dbraw/zinc/06/47/02/573064702.db2.gz SKFVLXSPPPIQSX-NSHDSACASA-N 0 0 196.338 2.806 10 30 AFEERN Cc1csc2cc(CC=O)ccc12 257939248 573064867 /nfs/dbraw/zinc/06/48/67/573064867.db2.gz DJBDFODBALCUHM-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN CCCC/C=C\[C@H](C)C=O 224801260 573065185 /nfs/dbraw/zinc/06/51/85/573065185.db2.gz ZSVSJKJVJVRUGR-NMTCXDENSA-N 0 0 140.226 2.568 10 30 AFEERN CCCN[C@H](C#N)C(C(C)C)C(C)C 308494483 573065231 /nfs/dbraw/zinc/06/52/31/573065231.db2.gz SKFVLXSPPPIQSX-LLVKDONJSA-N 0 0 196.338 2.806 10 30 AFEERN C=C(C1=CCCCC1)[C@H](O)CC 238265376 573065493 /nfs/dbraw/zinc/06/54/93/573065493.db2.gz ULXPTAIGJDQFRM-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN CCCN(CCCC(C)(C)C#N)OC 308494308 573065720 /nfs/dbraw/zinc/06/57/20/573065720.db2.gz BFJMWUIDAGBKCK-UHFFFAOYSA-N 0 0 198.310 2.590 10 30 AFEERN N#Cc1cc2c(cc1F)CCCC2 257939416 573065946 /nfs/dbraw/zinc/06/59/46/573065946.db2.gz CYTYJYQQRLDUPJ-UHFFFAOYSA-N 0 0 175.206 2.576 10 30 AFEERN CCC[C@]1(C)[C@@H]2C=C(C)C(=O)[C@@]21C 238263732 573066222 /nfs/dbraw/zinc/06/62/22/573066222.db2.gz LNRSILTXINATKE-MVWJERBFSA-N 0 0 178.275 2.958 10 30 AFEERN CCN(C)N=C(C)c1ccc(C)s1 308245936 573066248 /nfs/dbraw/zinc/06/62/48/573066248.db2.gz VSOCLNAFBVEHHU-UHFFFAOYSA-N 0 0 196.319 2.732 10 30 AFEERN C=CCCCN(CCC(C)C)OC 308494295 573066420 /nfs/dbraw/zinc/06/64/20/573066420.db2.gz SRZFNERPQYDJPN-UHFFFAOYSA-N 0 0 185.311 2.862 10 30 AFEERN C=CCCC(=O)O[C@H](CC)CC=C 308245850 573066774 /nfs/dbraw/zinc/06/67/74/573066774.db2.gz VOXBKLPHDBKMKJ-SNVBAGLBSA-N 0 0 182.263 2.851 10 30 AFEERN C[C@@H](C=O)Cc1cccc2cccnc12 88107263 573066885 /nfs/dbraw/zinc/06/68/85/573066885.db2.gz RFYDZGHHGXJNID-SNVBAGLBSA-N 0 0 199.253 2.612 10 30 AFEERN C=C[C@@H]1CC[C@@H](CC)[C@@H]1C(C)=O 238264234 573066900 /nfs/dbraw/zinc/06/69/00/573066900.db2.gz LKNVWUGEMUQCNF-GMTAPVOTSA-N 0 0 166.264 2.814 10 30 AFEERN C#Cc1cncc2ccc(C)cc12 209758261 573066947 /nfs/dbraw/zinc/06/69/47/573066947.db2.gz OTISYWOMXVBCMG-UHFFFAOYSA-N 0 0 167.211 2.525 10 30 AFEERN C[C@H](C=O)Cc1ccc2ncccc2c1 88107264 573066982 /nfs/dbraw/zinc/06/69/82/573066982.db2.gz YFSJEHZBISHFKS-JTQLQIEISA-N 0 0 199.253 2.612 10 30 AFEERN C#Cc1ccnc2ccc(C)cc12 209758406 573067032 /nfs/dbraw/zinc/06/70/32/573067032.db2.gz RAJKPYJOYGRVIG-UHFFFAOYSA-N 0 0 167.211 2.525 10 30 AFEERN N#C[C@H]1CCC[C@@H]1Nc1ccsc1 85534806 573067134 /nfs/dbraw/zinc/06/71/34/573067134.db2.gz KYFWGGRWUAWEQL-SCZZXKLOSA-N 0 0 192.287 2.852 10 30 AFEERN CC(C)Cn1ncc(C#N)c1C(C)C 259320536 573067305 /nfs/dbraw/zinc/06/73/05/573067305.db2.gz FZSCUGWAMCXEGT-UHFFFAOYSA-N 0 0 191.278 2.534 10 30 AFEERN CC[C@H](CC#N)Nc1ccsc1 85534607 573067306 /nfs/dbraw/zinc/06/73/06/573067306.db2.gz CYQHEQBCYKXDDN-MRVPVSSYSA-N 0 0 180.276 2.852 10 30 AFEERN O=C1CCCC/C1=C/c1cccnc1 114252171 573067624 /nfs/dbraw/zinc/06/76/24/573067624.db2.gz JVWHOBWNVLEBKQ-FLIBITNWSA-N 0 0 187.242 2.608 10 30 AFEERN C[C@@H](C=O)Cc1ccc2cccnc2c1 88107257 573067865 /nfs/dbraw/zinc/06/78/65/573067865.db2.gz HDHNUEZXDKWJJW-SNVBAGLBSA-N 0 0 199.253 2.612 10 30 AFEERN Cc1ccc(C(=O)CS)c(C)c1C 259322147 573067950 /nfs/dbraw/zinc/06/79/50/573067950.db2.gz UFBCVKNZLJFDHL-UHFFFAOYSA-N 0 0 194.299 2.724 10 30 AFEERN N#C[C@@H]1CCC[C@@H]1Nc1ccsc1 85534808 573068132 /nfs/dbraw/zinc/06/81/32/573068132.db2.gz KYFWGGRWUAWEQL-WPRPVWTQSA-N 0 0 192.287 2.852 10 30 AFEERN CCC[C@@H]1CC=C[C@@H](C)[C@@H]1C=O 238265939 573068269 /nfs/dbraw/zinc/06/82/69/573068269.db2.gz BJBNCIZYKPSLOC-MXWKQRLJSA-N 0 0 166.264 2.814 10 30 AFEERN COc1ccc(C)c(C#N)c1Cl 257939364 573068341 /nfs/dbraw/zinc/06/83/41/573068341.db2.gz CXJUQWOJTYAKDS-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN C=CCCCN(OC)C1CCCC1 308494691 573068699 /nfs/dbraw/zinc/06/86/99/573068699.db2.gz SSGPSDYONSHXPJ-UHFFFAOYSA-N 0 0 183.295 2.759 10 30 AFEERN N#C[C@@H]1CCC[C@H]1Nc1ccsc1 85534807 573068524 /nfs/dbraw/zinc/06/85/24/573068524.db2.gz KYFWGGRWUAWEQL-WCBMZHEXSA-N 0 0 192.287 2.852 10 30 AFEERN CCC[C@@H]1CC=C[C@H](C)[C@@H]1C=O 238266008 573068645 /nfs/dbraw/zinc/06/86/45/573068645.db2.gz BJBNCIZYKPSLOC-AXFHLTTASA-N 0 0 166.264 2.814 10 30 AFEERN N#CCC1(CNc2ccsc2)CC1 85534859 573068651 /nfs/dbraw/zinc/06/86/51/573068651.db2.gz SJVGMWSVTYEMTM-UHFFFAOYSA-N 0 0 192.287 2.854 10 30 AFEERN C[C@@H](C=O)Cc1cccc2ncccc12 88107261 573068695 /nfs/dbraw/zinc/06/86/95/573068695.db2.gz JXIMQLZXIVAUNA-SNVBAGLBSA-N 0 0 199.253 2.612 10 30 AFEERN C[C@H](C#N)Sc1cccc(C=O)c1 85536477 573068807 /nfs/dbraw/zinc/06/88/07/573068807.db2.gz AWBRZAUODNAZDM-MRVPVSSYSA-N 0 0 191.255 2.503 10 30 AFEERN C=C1C(=O)C(C)(C)[C@@]1(C)CC 238265725 573068956 /nfs/dbraw/zinc/06/89/56/573068956.db2.gz LXTCZPGAQVXBDP-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN N#CCCc1ccc2ncsc2c1 259322130 573069634 /nfs/dbraw/zinc/06/96/34/573069634.db2.gz DISGOGUJWYIYLJ-UHFFFAOYSA-N 0 0 188.255 2.752 10 30 AFEERN C=CCCCC(=O)OC[C@@H](F)CC 308246626 573070006 /nfs/dbraw/zinc/07/00/06/573070006.db2.gz WNPZITMSUCNLPX-VIFPVBQESA-N 0 0 188.242 2.634 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H](C)C(C)C 308246554 573070139 /nfs/dbraw/zinc/07/01/39/573070139.db2.gz WKRJPJIMXIFIFG-UWVGGRQHSA-N 0 0 184.279 2.786 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H](C)C(C)C 308246555 573070228 /nfs/dbraw/zinc/07/02/28/573070228.db2.gz WKRJPJIMXIFIFG-VHSXEESVSA-N 0 0 184.279 2.786 10 30 AFEERN C[C@H](C=O)Cc1cccc2cccnc12 88107262 573070325 /nfs/dbraw/zinc/07/03/25/573070325.db2.gz RFYDZGHHGXJNID-JTQLQIEISA-N 0 0 199.253 2.612 10 30 AFEERN C[C@H](C=O)Cc1cccc2ncccc12 88107260 573070930 /nfs/dbraw/zinc/07/09/30/573070930.db2.gz JXIMQLZXIVAUNA-JTQLQIEISA-N 0 0 199.253 2.612 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H](C)C1CC1 308247228 573071901 /nfs/dbraw/zinc/07/19/01/573071901.db2.gz XGLSBSAMJYENFL-PSASIEDQSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@@H](C#N)Sc1cccc(C=O)c1 85536476 573071313 /nfs/dbraw/zinc/07/13/13/573071313.db2.gz AWBRZAUODNAZDM-QMMMGPOBSA-N 0 0 191.255 2.503 10 30 AFEERN CC[C@@]1(C)CC=C(C)C(=O)C1 238267798 573071920 /nfs/dbraw/zinc/07/19/20/573071920.db2.gz CUIYYABOCQELDJ-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H](C=O)Cc1ccc2cccnc2c1 88107256 573071342 /nfs/dbraw/zinc/07/13/42/573071342.db2.gz HDHNUEZXDKWJJW-JTQLQIEISA-N 0 0 199.253 2.612 10 30 AFEERN N#C[C@H]1CCC[C@H]1Nc1ccsc1 85534805 573071387 /nfs/dbraw/zinc/07/13/87/573071387.db2.gz KYFWGGRWUAWEQL-PSASIEDQSA-N 0 0 192.287 2.852 10 30 AFEERN CC[C@@H](CC#N)Nc1ccsc1 85534606 573071424 /nfs/dbraw/zinc/07/14/24/573071424.db2.gz CYQHEQBCYKXDDN-QMMMGPOBSA-N 0 0 180.276 2.852 10 30 AFEERN CC[C@]1(C)CC(=O)C=C(C)C1 238267725 573071624 /nfs/dbraw/zinc/07/16/24/573071624.db2.gz MFTSLYOQPWJTLQ-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)CCOC(=O)[C@@H](C)C1CC1 308250429 573071679 /nfs/dbraw/zinc/07/16/79/573071679.db2.gz HDNWPTHNHNXKJY-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCOC(=O)CCC(C)(F)F 308250489 573071747 /nfs/dbraw/zinc/07/17/47/573071747.db2.gz HELMGNOSHTVPOL-UHFFFAOYSA-N 0 0 192.205 2.541 10 30 AFEERN CC[C@@H](O)CC#C/C=C/C(C)(C)C 238268633 573071782 /nfs/dbraw/zinc/07/17/82/573071782.db2.gz VDZOCNPWFCOWHF-RJCSOLBVSA-N 0 0 180.291 2.753 10 30 AFEERN Cc1ccc2c(c1)C1(CC1)[C@@H](C#N)C2 259600306 573072534 /nfs/dbraw/zinc/07/25/34/573072534.db2.gz FFTFWHBCJFCDTJ-LLVKDONJSA-N 0 0 183.254 2.723 10 30 AFEERN C[C@@H]1CC(C)(C)CC[C@@H]1C#N 88132217 573072764 /nfs/dbraw/zinc/07/27/64/573072764.db2.gz ZZOHZGZSRKDIDW-RKDXNWHRSA-N 0 0 151.253 2.972 10 30 AFEERN C=CCCC(=O)OC[C@@H](C)C1CC1 308250473 573072879 /nfs/dbraw/zinc/07/28/79/573072879.db2.gz HEDPUKKNCWEYPI-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN N#Cc1c(O)ccc2sc(F)cc12 306855001 573072991 /nfs/dbraw/zinc/07/29/91/573072991.db2.gz VWLXXMXIRLMAKI-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@@]1(C#N)N(C)C 88132665 573073291 /nfs/dbraw/zinc/07/32/91/573073291.db2.gz AEPATZDUPDSCNX-JQWIXIFHSA-N 0 0 194.322 2.657 10 30 AFEERN C=CC[C@H]1CCc2cccc(O)c2N1 141872050 573073621 /nfs/dbraw/zinc/07/36/21/573073621.db2.gz LVBVWZKXZPZUEE-JTQLQIEISA-N 0 0 189.258 2.695 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@@H]1C#N 88132218 573074340 /nfs/dbraw/zinc/07/43/40/573074340.db2.gz ZZOHZGZSRKDIDW-DTWKUNHWSA-N 0 0 151.253 2.972 10 30 AFEERN CC[C@@]1(C)CC(C(C)C)=CC1=O 238267668 573074627 /nfs/dbraw/zinc/07/46/27/573074627.db2.gz RMSJWDAKWMIWKU-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC)COC(=O)c1ccsc1 308253707 573074645 /nfs/dbraw/zinc/07/46/45/573074645.db2.gz CQZCEMLQNCEVJZ-UHFFFAOYSA-N 0 0 196.271 2.871 10 30 AFEERN C=C(C)COC(=O)C(C)(CC)CC 308250598 573074834 /nfs/dbraw/zinc/07/48/34/573074834.db2.gz AWSHXOQHYADJFI-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN O=C(Cc1ccccc1)C1=CCC1 222736929 573074932 /nfs/dbraw/zinc/07/49/32/573074932.db2.gz UCKPVHVQMHLQNG-UHFFFAOYSA-N 0 0 172.227 2.518 10 30 AFEERN C=C(C)CCN1CCC[C@@H]1C(F)F 308253974 573074995 /nfs/dbraw/zinc/07/49/95/573074995.db2.gz HOXDRJPAKRBHNR-SECBINFHSA-N 0 0 189.249 2.682 10 30 AFEERN CCN[C@]1(C#N)CCC(C)(C)C[C@@H]1C 88131989 573075093 /nfs/dbraw/zinc/07/50/93/573075093.db2.gz DAOMARYYXNDMIG-JQWIXIFHSA-N 0 0 194.322 2.704 10 30 AFEERN C=C(C)CCOC(=O)[C@H](C)C1CC1 308250424 573075184 /nfs/dbraw/zinc/07/51/84/573075184.db2.gz HDNWPTHNHNXKJY-SECBINFHSA-N 0 0 182.263 2.542 10 30 AFEERN C[C@@H]1CC(C)(C)CC[C@]1(C#N)N(C)C 88132666 573075190 /nfs/dbraw/zinc/07/51/90/573075190.db2.gz AEPATZDUPDSCNX-ZYHUDNBSSA-N 0 0 194.322 2.657 10 30 AFEERN Cc1ccc2c(c1)C[C@@H](CCC#N)O2 85539094 573075375 /nfs/dbraw/zinc/07/53/75/573075375.db2.gz UVKQARAJVFFILS-LLVKDONJSA-N 0 0 187.242 2.602 10 30 AFEERN CCN[C@@]1(C#N)CCC(C)(C)C[C@@H]1C 88131990 573075438 /nfs/dbraw/zinc/07/54/38/573075438.db2.gz DAOMARYYXNDMIG-CMPLNLGQSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H](C=O)CCc1ccc(F)c(F)c1 128596617 573075529 /nfs/dbraw/zinc/07/55/29/573075529.db2.gz LDLDTMXKEPNHOG-QMMMGPOBSA-N 0 0 198.212 2.732 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@H](C)C1CC1 308247229 573075671 /nfs/dbraw/zinc/07/56/71/573075671.db2.gz XGLSBSAMJYENFL-SCZZXKLOSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)C(=O)c1ccc(OC)cc1F 88128634 573075673 /nfs/dbraw/zinc/07/56/73/573075673.db2.gz XXSZDPNPZSJAGW-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN C=CCCC(=O)OC[C@H](C)C1CC1 308250478 573075722 /nfs/dbraw/zinc/07/57/22/573075722.db2.gz HEDPUKKNCWEYPI-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@H]1C#N 88132220 573075763 /nfs/dbraw/zinc/07/57/63/573075763.db2.gz ZZOHZGZSRKDIDW-IUCAKERBSA-N 0 0 151.253 2.972 10 30 AFEERN C=CC[C@@H]1CCc2cccc(O)c2N1 141871868 573075774 /nfs/dbraw/zinc/07/57/74/573075774.db2.gz LVBVWZKXZPZUEE-SNVBAGLBSA-N 0 0 189.258 2.695 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@]1(C#N)N(C)C 88132669 573076071 /nfs/dbraw/zinc/07/60/71/573076071.db2.gz AEPATZDUPDSCNX-CMPLNLGQSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H]1CC(C)(C)CC[C@H]1C#N 88132219 573076103 /nfs/dbraw/zinc/07/61/03/573076103.db2.gz ZZOHZGZSRKDIDW-BDAKNGLRSA-N 0 0 151.253 2.972 10 30 AFEERN C=C(C)CNN=C(C)CCC1CC1 308253686 573076143 /nfs/dbraw/zinc/07/61/43/573076143.db2.gz HJJXQMIDIDFOFA-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN CCN[C@]1(C#N)CCC(C)(C)C[C@H]1C 88131991 573076369 /nfs/dbraw/zinc/07/63/69/573076369.db2.gz DAOMARYYXNDMIG-PWSUYJOCSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@@H]1CC(C)(C)CC[C@@]1(C#N)N(C)C 88132664 573076531 /nfs/dbraw/zinc/07/65/31/573076531.db2.gz AEPATZDUPDSCNX-PWSUYJOCSA-N 0 0 194.322 2.657 10 30 AFEERN CCN[C@@]1(C#N)CCC(C)(C)C[C@H]1C 88131992 573077021 /nfs/dbraw/zinc/07/70/21/573077021.db2.gz DAOMARYYXNDMIG-ZYHUDNBSSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@@]1(C)C[C@@H](C)C(=O)C=C1C 238269592 573077033 /nfs/dbraw/zinc/07/70/33/573077033.db2.gz ITVJRAIFSCRDFF-KCJUWKMLSA-N 0 0 166.264 2.958 10 30 AFEERN C#CCNc1ccccc1CCC=C 308491259 573077035 /nfs/dbraw/zinc/07/70/35/573077035.db2.gz BPLKZWWZGZGRFN-UHFFFAOYSA-N 0 0 185.270 2.850 10 30 AFEERN C#CCCC[C@H](O)C(C1CC1)C1CC1 308490833 573077228 /nfs/dbraw/zinc/07/72/28/573077228.db2.gz QQEUCHKFGLTZOG-LBPRGKRZSA-N 0 0 192.302 2.587 10 30 AFEERN C=C[C@@H](OC(=O)[C@H](C)CC)C1CC1 308251045 573077304 /nfs/dbraw/zinc/07/73/04/573077304.db2.gz BBHKWITZHNNIIK-PSASIEDQSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)CCOC(=O)[C@@H]1CC1(C)C 308251925 573077492 /nfs/dbraw/zinc/07/74/92/573077492.db2.gz GDHOBSYPQTVDOL-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN N#CCCc1ccc(Cl)c(C=O)c1 114342688 573077550 /nfs/dbraw/zinc/07/75/50/573077550.db2.gz UKMWCVAUFQMQLJ-UHFFFAOYSA-N 0 0 193.633 2.609 10 30 AFEERN Cc1ccc2c(c1)C[C@H](CCC#N)O2 85539093 573077658 /nfs/dbraw/zinc/07/76/58/573077658.db2.gz UVKQARAJVFFILS-NSHDSACASA-N 0 0 187.242 2.602 10 30 AFEERN C[C@@H]1CC(C)(C)CC[C@H]1C=O 88133600 573077637 /nfs/dbraw/zinc/07/76/37/573077637.db2.gz AIFCBCSDMHFZBD-BDAKNGLRSA-N 0 0 154.253 2.648 10 30 AFEERN C[C@H]1CC[C@@H](C=NOC2CCC2)C1 308251711 573077644 /nfs/dbraw/zinc/07/76/44/573077644.db2.gz BMVGWQKANOCIEO-VHSXEESVSA-N 0 0 181.279 2.978 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@H]1C=O 88133602 573077991 /nfs/dbraw/zinc/07/79/91/573077991.db2.gz AIFCBCSDMHFZBD-IUCAKERBSA-N 0 0 154.253 2.648 10 30 AFEERN CC[C@@]1(C)C[C@H](C)C(C)=CC1=O 238270331 573078025 /nfs/dbraw/zinc/07/80/25/573078025.db2.gz HZOUATMPLMZGDE-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(C#N)c2ccsc2c1C#N 306859927 573078099 /nfs/dbraw/zinc/07/80/99/573078099.db2.gz DIKCJQSDAORSDS-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C=C(C)CNN=C[C@H]1CC[C@H](C)C1 308252047 573078262 /nfs/dbraw/zinc/07/82/62/573078262.db2.gz BUAGWDPWEIFUGZ-QWRGUYRKSA-N 0 0 180.295 2.574 10 30 AFEERN CC[C@@]1(C)C[C@@H](C)C(C)=CC1=O 238269622 573078449 /nfs/dbraw/zinc/07/84/49/573078449.db2.gz HZOUATMPLMZGDE-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC)COC(=O)C[C@H](C)CC 308251399 573078483 /nfs/dbraw/zinc/07/84/83/573078483.db2.gz BHDPAEFQJVJORF-SECBINFHSA-N 0 0 184.279 2.932 10 30 AFEERN C[C@@H](C#N)[C@@]1(O)CCC(C)(C)C[C@@H]1C 88134032 573078485 /nfs/dbraw/zinc/07/84/85/573078485.db2.gz IOIXZIBUEDFXDT-JBLDHEPKSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1CC[C@@H](C(=O)C2=CCCCC2)O1 88140741 573078651 /nfs/dbraw/zinc/07/86/51/573078651.db2.gz GTBBFAGVDFUZSR-ONGXEEELSA-N 0 0 194.274 2.623 10 30 AFEERN CC[C@@]1(C)C[C@H](C)C(=O)C=C1C 238270301 573078654 /nfs/dbraw/zinc/07/86/54/573078654.db2.gz ITVJRAIFSCRDFF-KWQFWETISA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1CC[C@@H](C(=O)C2=CCCCC2)O1 88140740 573078658 /nfs/dbraw/zinc/07/86/58/573078658.db2.gz GTBBFAGVDFUZSR-KOLCDFICSA-N 0 0 194.274 2.623 10 30 AFEERN Cc1ccc(C(=O)CCC#N)cc1F 82503374 573079418 /nfs/dbraw/zinc/07/94/18/573079418.db2.gz CAGRNNNTELFUKB-UHFFFAOYSA-N 0 0 191.205 2.621 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@]12CO2 88133216 573078787 /nfs/dbraw/zinc/07/87/87/573078787.db2.gz RIUQURMPQOIDAJ-WPRPVWTQSA-N 0 0 154.253 2.602 10 30 AFEERN CC[C@@H](C)CON=Cc1cscn1 308251021 573079716 /nfs/dbraw/zinc/07/97/16/573079716.db2.gz BAHZWHLFCBWJOH-MRVPVSSYSA-N 0 0 198.291 2.540 10 30 AFEERN Cc1cccc(C#N)c1OCC(F)F 221153748 573079574 /nfs/dbraw/zinc/07/95/74/573079574.db2.gz SBGCHPJXJOKPPJ-UHFFFAOYSA-N 0 0 197.184 2.511 10 30 AFEERN CCCCc1sc(N)c(C#N)c1C 238269424 573079664 /nfs/dbraw/zinc/07/96/64/573079664.db2.gz ZAPHAPVXSVPURP-UHFFFAOYSA-N 0 0 194.303 2.853 10 30 AFEERN C[C@@H]1CC(C)(C)CC[C@@H]1C=O 88133595 573079713 /nfs/dbraw/zinc/07/97/13/573079713.db2.gz AIFCBCSDMHFZBD-RKDXNWHRSA-N 0 0 154.253 2.648 10 30 AFEERN C#CCCC[C@@H](O)C(C1CC1)C1CC1 308490831 573079800 /nfs/dbraw/zinc/07/98/00/573079800.db2.gz QQEUCHKFGLTZOG-GFCCVEGCSA-N 0 0 192.302 2.587 10 30 AFEERN C=C[C@H](OC(=O)[C@@H](C)CC)C1CC1 308251048 573079904 /nfs/dbraw/zinc/07/99/04/573079904.db2.gz BBHKWITZHNNIIK-WPRPVWTQSA-N 0 0 182.263 2.540 10 30 AFEERN C=CCNC1=N[C@](C)(CC)C(=C)S1 238270959 573079887 /nfs/dbraw/zinc/07/98/87/573079887.db2.gz AIMATEIZPCQGMX-SNVBAGLBSA-N 0 0 196.319 2.547 10 30 AFEERN C[C@@H]1CC(C)(C)CC[C@]12CO2 88133213 573079954 /nfs/dbraw/zinc/07/99/54/573079954.db2.gz RIUQURMPQOIDAJ-SCZZXKLOSA-N 0 0 154.253 2.602 10 30 AFEERN C=C(C)CNN=C[C@H]1CC[C@@H](C)C1 308252046 573080359 /nfs/dbraw/zinc/08/03/59/573080359.db2.gz BUAGWDPWEIFUGZ-MNOVXSKESA-N 0 0 180.295 2.574 10 30 AFEERN C[C@@H]1CC(C)(C)CC[C@@]12CO2 88133208 573080389 /nfs/dbraw/zinc/08/03/89/573080389.db2.gz RIUQURMPQOIDAJ-PSASIEDQSA-N 0 0 154.253 2.602 10 30 AFEERN CO[C@]1(C#N)CCC(C)(C)C[C@H]1C 88133854 573080425 /nfs/dbraw/zinc/08/04/25/573080425.db2.gz HADJDAOWPWMYQA-KOLCDFICSA-N 0 0 181.279 2.741 10 30 AFEERN C[C@@H]1CC[C@H](C(=O)C2=CCCCC2)O1 88140738 573080460 /nfs/dbraw/zinc/08/04/60/573080460.db2.gz GTBBFAGVDFUZSR-MWLCHTKSSA-N 0 0 194.274 2.623 10 30 AFEERN C[C@@H]1CC(C)(C)CC/C1=N\O 88133054 573080501 /nfs/dbraw/zinc/08/05/01/573080501.db2.gz FPLNYAIWCPHJRV-PLVWVKTPSA-N 0 0 155.241 2.663 10 30 AFEERN CC[C@H](C)CON=Cc1cscn1 308251022 573080502 /nfs/dbraw/zinc/08/05/02/573080502.db2.gz BAHZWHLFCBWJOH-QMMMGPOBSA-N 0 0 198.291 2.540 10 30 AFEERN CO[C@]1(c2ccc(C)cc2)OC1(C)C 114462832 573080800 /nfs/dbraw/zinc/08/08/00/573080800.db2.gz AXGYWBNQTGZAGM-GFCCVEGCSA-N 0 0 192.258 2.603 10 30 AFEERN C[C@H]1CC(C)(C)CC/C1=N\O 88133055 573081053 /nfs/dbraw/zinc/08/10/53/573081053.db2.gz FPLNYAIWCPHJRV-IVJKGPJYSA-N 0 0 155.241 2.663 10 30 AFEERN C=C(CC)COC(=O)C[C@@H](C)CC 308251400 573081452 /nfs/dbraw/zinc/08/14/52/573081452.db2.gz BHDPAEFQJVJORF-VIFPVBQESA-N 0 0 184.279 2.932 10 30 AFEERN CO[C@@]1(C#N)CCC(C)(C)C[C@H]1C 88133857 573081613 /nfs/dbraw/zinc/08/16/13/573081613.db2.gz HADJDAOWPWMYQA-MWLCHTKSSA-N 0 0 181.279 2.741 10 30 AFEERN CO[C@]1(C#N)CCC(C)(C)C[C@@H]1C 88133856 573081822 /nfs/dbraw/zinc/08/18/22/573081822.db2.gz HADJDAOWPWMYQA-ONGXEEELSA-N 0 0 181.279 2.741 10 30 AFEERN C[C@H]1CC(C)(C)CC[C@@]12CO2 88133211 573081851 /nfs/dbraw/zinc/08/18/51/573081851.db2.gz RIUQURMPQOIDAJ-WCBMZHEXSA-N 0 0 154.253 2.602 10 30 AFEERN C[C@H]1CC[C@H](C(=O)C2=CCCCC2)O1 88140739 573081928 /nfs/dbraw/zinc/08/19/28/573081928.db2.gz GTBBFAGVDFUZSR-GXSJLCMTSA-N 0 0 194.274 2.623 10 30 AFEERN CO[C@@]1(C#N)CCC(C)(C)C[C@@H]1C 88133860 573082025 /nfs/dbraw/zinc/08/20/25/573082025.db2.gz HADJDAOWPWMYQA-GXSJLCMTSA-N 0 0 181.279 2.741 10 30 AFEERN CCOc1cc(C)ccc1/C(C)=N/O 82502315 573082140 /nfs/dbraw/zinc/08/21/40/573082140.db2.gz ORJHEPSAQWMHCU-FMIVXFBMSA-N 0 0 193.246 2.592 10 30 AFEERN Cc1cc(Cl)cc(C(=O)CC#N)c1 88139628 573082178 /nfs/dbraw/zinc/08/21/78/573082178.db2.gz KUJQWOTZZUDOTF-UHFFFAOYSA-N 0 0 193.633 2.745 10 30 AFEERN CSc1ccccc1O[C@H](C)C#N 82504221 573082311 /nfs/dbraw/zinc/08/23/11/573082311.db2.gz UJIZRAZDPCZTKW-MRVPVSSYSA-N 0 0 193.271 2.699 10 30 AFEERN CCC[C@H]1CCC=C1C(C)=O 238272843 573082417 /nfs/dbraw/zinc/08/24/17/573082417.db2.gz WABXXHDZJKDIHI-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@@H](OC(=O)C1CC1)C(C)(C)C 308218851 573082670 /nfs/dbraw/zinc/08/26/70/573082670.db2.gz BEFLCMSFCGMDNF-SECBINFHSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@H](CC)N[C@@H](C)C(F)(F)F 308252724 573082684 /nfs/dbraw/zinc/08/26/84/573082684.db2.gz CDBMJQKQFSRIFL-YUMQZZPRSA-N 0 0 195.228 2.882 10 30 AFEERN C[C@H](CC=O)c1ccccc1CF 257942495 573083624 /nfs/dbraw/zinc/08/36/24/573083624.db2.gz DNDCXGSMPANYDA-SECBINFHSA-N 0 0 180.222 2.849 10 30 AFEERN C=C[C@](C)(CC)C(=O)OCC1CC1 308253265 573083273 /nfs/dbraw/zinc/08/32/73/573083273.db2.gz CKHBGCOAIQLUBA-LLVKDONJSA-N 0 0 182.263 2.542 10 30 AFEERN CCC(C)(C)C=NNCC(F)(F)F 388683617 573083595 /nfs/dbraw/zinc/08/35/95/573083595.db2.gz JFMVSXJVDDLTAI-UHFFFAOYSA-N 0 0 196.216 2.560 10 30 AFEERN C=CC[C@H](CC)N[C@H](C)C(F)(F)F 308252723 573084371 /nfs/dbraw/zinc/08/43/71/573084371.db2.gz CDBMJQKQFSRIFL-SFYZADRCSA-N 0 0 195.228 2.882 10 30 AFEERN C=CCCC(=O)O[C@@H](C)C1CCC1 308253490 573084383 /nfs/dbraw/zinc/08/43/83/573084383.db2.gz IZHHHZGFTODDPK-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CCNN=C1CC[C@H]1C(C)(C)C 308253498 573084429 /nfs/dbraw/zinc/08/44/29/573084429.db2.gz IZTJRBJMEUUVAV-SECBINFHSA-N 0 0 180.295 2.574 10 30 AFEERN C=C/C(Cl)=C\C(=O)CCC 211564297 573084493 /nfs/dbraw/zinc/08/44/93/573084493.db2.gz UDUKFWFXQNROFV-VOTSOKGWSA-N 0 0 158.628 2.664 10 30 AFEERN C=C[C@@](C)(CC)C(=O)OCC1CC1 308253267 573084572 /nfs/dbraw/zinc/08/45/72/573084572.db2.gz CKHBGCOAIQLUBA-NSHDSACASA-N 0 0 182.263 2.542 10 30 AFEERN CCC[C@H]1CCC(C)C(=O)C1=O 238272727 573085049 /nfs/dbraw/zinc/08/50/49/573085049.db2.gz DSMJPJWGGMNHCR-QMMMGPOBSA-N 0 0 168.236 2.598 10 30 AFEERN Cc1nc(C2CCC2)sc1CC#N 259323520 573085191 /nfs/dbraw/zinc/08/51/91/573085191.db2.gz OOQDECURCMFRNW-UHFFFAOYSA-N 0 0 192.287 2.785 10 30 AFEERN C=CC[C@@H](CC)N[C@H](C)C(F)(F)F 308252721 573085386 /nfs/dbraw/zinc/08/53/86/573085386.db2.gz CDBMJQKQFSRIFL-HTQZYQBOSA-N 0 0 195.228 2.882 10 30 AFEERN CC(C)=Nc1ccc(O)cc1F 141886344 573085347 /nfs/dbraw/zinc/08/53/47/573085347.db2.gz AUXUPNCMMCATMM-UHFFFAOYSA-N 0 0 167.183 2.644 10 30 AFEERN C=C[C@H](C)Sc1nnc(C2CC2)o1 308252431 573085718 /nfs/dbraw/zinc/08/57/18/573085718.db2.gz BYWUJLBFZBJPOU-LURJTMIESA-N 0 0 196.275 2.614 10 30 AFEERN C=CCCOC(=O)/C=C/C(C)=C/C 308253016 573085803 /nfs/dbraw/zinc/08/58/03/573085803.db2.gz CIZDQIRXTWGVRI-LZIZUESTSA-N 0 0 180.247 2.628 10 30 AFEERN CC1(C=NOCCC(F)(F)F)CC1 308252730 573085866 /nfs/dbraw/zinc/08/58/66/573085866.db2.gz CDJYHSWUXMPSAM-UHFFFAOYSA-N 0 0 195.184 2.741 10 30 AFEERN N#C[C@@H](c1cc[nH]c1)c1cccs1 259325826 573085958 /nfs/dbraw/zinc/08/59/58/573085958.db2.gz YFZZROXUTSPQCN-VIFPVBQESA-N 0 0 188.255 2.732 10 30 AFEERN C=CCNN=C1CC[C@@H]1C(C)(C)C 308253499 573086037 /nfs/dbraw/zinc/08/60/37/573086037.db2.gz IZTJRBJMEUUVAV-VIFPVBQESA-N 0 0 180.295 2.574 10 30 AFEERN C[C@@H](CC=O)c1ccccc1CF 257942497 573086252 /nfs/dbraw/zinc/08/62/52/573086252.db2.gz DNDCXGSMPANYDA-VIFPVBQESA-N 0 0 180.222 2.849 10 30 AFEERN C=C[C@@H](C)Sc1nnc(C2CC2)o1 308252432 573086267 /nfs/dbraw/zinc/08/62/67/573086267.db2.gz BYWUJLBFZBJPOU-ZCFIWIBFSA-N 0 0 196.275 2.614 10 30 AFEERN C=CCCC(=O)O[C@@H]1C=CCCC1 308253401 573086458 /nfs/dbraw/zinc/08/64/58/573086458.db2.gz HEMWBJNBBVKUAF-SNVBAGLBSA-N 0 0 180.247 2.605 10 30 AFEERN C=CCCC(=O)O[C@H]1C=CCCC1 308253399 573086727 /nfs/dbraw/zinc/08/67/27/573086727.db2.gz HEMWBJNBBVKUAF-JTQLQIEISA-N 0 0 180.247 2.605 10 30 AFEERN C=CCCOC(=O)/C=C/C(C)=C\C 308253015 573087038 /nfs/dbraw/zinc/08/70/38/573087038.db2.gz CIZDQIRXTWGVRI-KCGUVZDHSA-N 0 0 180.247 2.628 10 30 AFEERN CC[C@@H](C)Oc1cc(F)cc(C#N)c1 227635172 573088602 /nfs/dbraw/zinc/08/86/02/573088602.db2.gz LRVXEXZEWOLPAW-MRVPVSSYSA-N 0 0 193.221 2.875 10 30 AFEERN C=C[C@H](O)[C@@](C)(CC)c1ccccc1 308498468 573088611 /nfs/dbraw/zinc/08/86/11/573088611.db2.gz YQQXDHUOMCPCAJ-STQMWFEESA-N 0 0 190.286 2.901 10 30 AFEERN C=C[C@@H](O)[C@@](C)(CC)c1ccccc1 308498466 573088633 /nfs/dbraw/zinc/08/86/33/573088633.db2.gz YQQXDHUOMCPCAJ-OLZOCXBDSA-N 0 0 190.286 2.901 10 30 AFEERN C=C[C@@H](O)[C@](C)(CC)c1ccccc1 308498465 573088669 /nfs/dbraw/zinc/08/86/69/573088669.db2.gz YQQXDHUOMCPCAJ-CHWSQXEVSA-N 0 0 190.286 2.901 10 30 AFEERN C=C[C@@](C)(CC)[C@@H](O)C(=C)C 238275632 573088875 /nfs/dbraw/zinc/08/88/75/573088875.db2.gz KJFNTKPLONPZMZ-UWVGGRQHSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@@](C)(CC)[C@H](O)C(=C)C 238275698 573089345 /nfs/dbraw/zinc/08/93/45/573089345.db2.gz KJFNTKPLONPZMZ-ZJUUUORDSA-N 0 0 154.253 2.526 10 30 AFEERN C=CCC[C@H](C)OC(=O)CC1CC1 308282591 573089423 /nfs/dbraw/zinc/08/94/23/573089423.db2.gz XQGPMPNDHGCVPI-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C#C[C@@](C)(CC)[C@@H]1CCCCC1=O 238274954 573089453 /nfs/dbraw/zinc/08/94/53/573089453.db2.gz VZPHKMLJAVMWMG-PWSUYJOCSA-N 0 0 178.275 2.795 10 30 AFEERN CC[Si](C)(CC)CCC=O 238273386 573089950 /nfs/dbraw/zinc/08/99/50/573089950.db2.gz DKGIICCLBMNYND-UHFFFAOYSA-N 0 0 158.317 2.694 10 30 AFEERN CCCSc1cc(C)nc(C#N)c1 307029572 573090127 /nfs/dbraw/zinc/09/01/27/573090127.db2.gz MKMROPZLISYNHE-UHFFFAOYSA-N 0 0 192.287 2.764 10 30 AFEERN C=C(C)[C@H](C)OC(=O)c1cccs1 308258770 573090348 /nfs/dbraw/zinc/09/03/48/573090348.db2.gz MIEVXQVSYGQYGS-QMMMGPOBSA-N 0 0 196.271 2.870 10 30 AFEERN N#C[C@H](c1cc[nH]c1)c1cccs1 259325820 573090409 /nfs/dbraw/zinc/09/04/09/573090409.db2.gz YFZZROXUTSPQCN-SECBINFHSA-N 0 0 188.255 2.732 10 30 AFEERN SC/C=C\CSc1ccncc1 211103674 573090419 /nfs/dbraw/zinc/09/04/19/573090419.db2.gz ZLHAESXTHMRTBT-UPHRSURJSA-N 0 0 197.328 2.660 10 30 AFEERN CC[C@@]1(CC#N)CCCCCC1=O 238275525 573090764 /nfs/dbraw/zinc/09/07/64/573090764.db2.gz JIVKHQFLRXPBIE-NSHDSACASA-N 0 0 179.263 2.830 10 30 AFEERN C#C[C@@](C)(CC)[C@H]1CCCCC1=O 238274993 573090795 /nfs/dbraw/zinc/09/07/95/573090795.db2.gz VZPHKMLJAVMWMG-JQWIXIFHSA-N 0 0 178.275 2.795 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)c1cccs1 308258769 573091426 /nfs/dbraw/zinc/09/14/26/573091426.db2.gz MIEVXQVSYGQYGS-MRVPVSSYSA-N 0 0 196.271 2.870 10 30 AFEERN C[C@H]1CC[C@]1(C#N)c1ccccc1 85629775 573091484 /nfs/dbraw/zinc/09/14/84/573091484.db2.gz IVECVJWSQVJWBA-CMPLNLGQSA-N 0 0 171.243 2.878 10 30 AFEERN C=C[C@]1(CC)C[C@@]1(C=O)CC 238275093 573091614 /nfs/dbraw/zinc/09/16/14/573091614.db2.gz WNSGMHJXQMYXQL-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCCN(C)c1cccc(F)c1 308259804 573091917 /nfs/dbraw/zinc/09/19/17/573091917.db2.gz LWEYBMXHVUBHJL-UHFFFAOYSA-N 0 0 179.238 2.838 10 30 AFEERN C[C@H]1CC[C@]1(C#N)c1cccs1 85629951 573092222 /nfs/dbraw/zinc/09/22/22/573092222.db2.gz WWFAJRIZISPRPF-WCBMZHEXSA-N 0 0 177.272 2.939 10 30 AFEERN C=C[C@@H]1C[C@@H]1C(=O)c1ccccc1 197087537 573092423 /nfs/dbraw/zinc/09/24/23/573092423.db2.gz NBHPCXYPNADLSA-KOLCDFICSA-N 0 0 172.227 2.691 10 30 AFEERN C/C(CCCNc1ccccc1)=N\O 308258702 573092459 /nfs/dbraw/zinc/09/24/59/573092459.db2.gz DDDOOASFCSIUHK-JLHYYAGUSA-N 0 0 192.262 2.729 10 30 AFEERN CC[C@H](C)[C@H]1CCCC(C=O)=C1O 238273454 573092464 /nfs/dbraw/zinc/09/24/64/573092464.db2.gz HDCLBGUJJXHNSE-BJHGEIEHSA-N 0 0 182.263 2.844 10 30 AFEERN Oc1cccc2cc(CS)oc12 257943128 573093061 /nfs/dbraw/zinc/09/30/61/573093061.db2.gz VUQJFNWCJRVHAU-UHFFFAOYSA-N 0 0 180.228 2.568 10 30 AFEERN CCCS[C@@]1(C#N)CC[C@@H]1C 85630013 573093366 /nfs/dbraw/zinc/09/33/66/573093366.db2.gz YXPZCJQCPFQXMU-DTWKUNHWSA-N 0 0 169.293 2.822 10 30 AFEERN CC(C)S[C@@]1(C#N)CC[C@@H]1C 85630035 573093443 /nfs/dbraw/zinc/09/34/43/573093443.db2.gz FRJONRJUUWDHRN-DTWKUNHWSA-N 0 0 169.293 2.820 10 30 AFEERN CCCCCCC[C@]1(C)COC(=O)N1 114623729 573094350 /nfs/dbraw/zinc/09/43/50/573094350.db2.gz KHGWCFURUCIYFB-LLVKDONJSA-N 0 0 199.294 2.845 10 30 AFEERN Cc1cccc([C@H](C)N[C@@H](C)C#N)c1 88162308 573095311 /nfs/dbraw/zinc/09/53/11/573095311.db2.gz YWHJFRSMMRQPNS-QWRGUYRKSA-N 0 0 188.274 2.558 10 30 AFEERN CCCS[C@@]1(C#N)CC[C@H]1C 85630021 573094565 /nfs/dbraw/zinc/09/45/65/573094565.db2.gz YXPZCJQCPFQXMU-RKDXNWHRSA-N 0 0 169.293 2.822 10 30 AFEERN C[C@@H]1CC[C@]1(C#N)c1cccs1 85629948 573094607 /nfs/dbraw/zinc/09/46/07/573094607.db2.gz WWFAJRIZISPRPF-PSASIEDQSA-N 0 0 177.272 2.939 10 30 AFEERN N#CC[C@@H]1Cc2cc(Cl)ccc2O1 259327510 573094740 /nfs/dbraw/zinc/09/47/40/573094740.db2.gz GJMXEMGBVSJGOY-SECBINFHSA-N 0 0 193.633 2.557 10 30 AFEERN C=C(C)CCOC(=O)C1CC(C)C1 308260632 573094790 /nfs/dbraw/zinc/09/47/90/573094790.db2.gz NCYSMMAJZCHDGS-UHFFFAOYSA-N 0 0 182.263 2.542 10 30 AFEERN CC(C)S[C@]1(C#N)CC[C@H]1C 85630023 573094841 /nfs/dbraw/zinc/09/48/41/573094841.db2.gz FRJONRJUUWDHRN-BDAKNGLRSA-N 0 0 169.293 2.820 10 30 AFEERN CC(C)C[C@@H](C#N)C(=O)CC1CC1 49804715 573094978 /nfs/dbraw/zinc/09/49/78/573094978.db2.gz ZPOHBTQJLCQVNA-JTQLQIEISA-N 0 0 179.263 2.541 10 30 AFEERN C[C@@H]1CC[C@]1(C#N)c1ccccc1 85629772 573095066 /nfs/dbraw/zinc/09/50/66/573095066.db2.gz IVECVJWSQVJWBA-ZYHUDNBSSA-N 0 0 171.243 2.878 10 30 AFEERN C[C@@H]1CC[C@@]1(C#N)c1cccs1 85629941 573095123 /nfs/dbraw/zinc/09/51/23/573095123.db2.gz WWFAJRIZISPRPF-SCZZXKLOSA-N 0 0 177.272 2.939 10 30 AFEERN C[C@H]1CC[C@@]1(C#N)c1cccs1 85629944 573095301 /nfs/dbraw/zinc/09/53/01/573095301.db2.gz WWFAJRIZISPRPF-WPRPVWTQSA-N 0 0 177.272 2.939 10 30 AFEERN CC(C)S[C@]1(C#N)CC[C@@H]1C 85630028 573095325 /nfs/dbraw/zinc/09/53/25/573095325.db2.gz FRJONRJUUWDHRN-IUCAKERBSA-N 0 0 169.293 2.820 10 30 AFEERN CC(C)S[C@@]1(C#N)CC[C@H]1C 85630030 573095471 /nfs/dbraw/zinc/09/54/71/573095471.db2.gz FRJONRJUUWDHRN-RKDXNWHRSA-N 0 0 169.293 2.820 10 30 AFEERN CCC(=O)/C(C)=C\[C@H](C)CC 114638124 573095474 /nfs/dbraw/zinc/09/54/74/573095474.db2.gz MPPFPNPXTYYJBQ-XZZQCUQZSA-N 0 0 154.253 2.958 10 30 AFEERN C=C[C@@](C)(/C=C/C)[C@H](O)CC 238277410 573095558 /nfs/dbraw/zinc/09/55/58/573095558.db2.gz QQMWNFZMLAMZOC-URNYOCNJSA-N 0 0 154.253 2.526 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CC(C)(C)C 308256250 573095695 /nfs/dbraw/zinc/09/56/95/573095695.db2.gz KRWQYLLGMHHHOH-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN CCCCCC(=O)/C=C/c1ncc[nH]1 308255734 573095813 /nfs/dbraw/zinc/09/58/13/573095813.db2.gz JIWNJJBRDQHPCC-VOTSOKGWSA-N 0 0 192.262 2.572 10 30 AFEERN CC[C@H](C)[C@@]1(C)C=CC(=O)CC1 238276803 573095882 /nfs/dbraw/zinc/09/58/82/573095882.db2.gz WEXJKZKPJMMIOR-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H](C)OC(=O)C1CC(C)(C)C1 308254585 573096014 /nfs/dbraw/zinc/09/60/14/573096014.db2.gz JUBAUFZOWYBHKN-QMMMGPOBSA-N 0 0 182.263 2.540 10 30 AFEERN Cc1cccc([C@@H](C)N[C@H](C)C#N)c1 88162255 573096102 /nfs/dbraw/zinc/09/61/02/573096102.db2.gz YWHJFRSMMRQPNS-GHMZBOCLSA-N 0 0 188.274 2.558 10 30 AFEERN CCCS[C@]1(C#N)CC[C@@H]1C 85630009 573096105 /nfs/dbraw/zinc/09/61/05/573096105.db2.gz YXPZCJQCPFQXMU-IUCAKERBSA-N 0 0 169.293 2.822 10 30 AFEERN COc1ccccc1C(=O)C=C(C)C 114616982 573096165 /nfs/dbraw/zinc/09/61/65/573096165.db2.gz BQBSJXPSSVDNPV-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN CC(=O)/C=C/c1ccc(C)cc1F 221179974 573096198 /nfs/dbraw/zinc/09/61/98/573096198.db2.gz DOQXLMZGUKQWJS-GQCTYLIASA-N 0 0 178.206 2.736 10 30 AFEERN Cc1cccc([C@H](C)N[C@H](C)C#N)c1 88162309 573096324 /nfs/dbraw/zinc/09/63/24/573096324.db2.gz YWHJFRSMMRQPNS-MNOVXSKESA-N 0 0 188.274 2.558 10 30 AFEERN C=CC[C@@](C)(CC)C(C)=O 238276460 573096442 /nfs/dbraw/zinc/09/64/42/573096442.db2.gz CBRJOFXKFQGGES-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN Cc1c(C#N)ccc2scc(C#N)c12 306855538 573096528 /nfs/dbraw/zinc/09/65/28/573096528.db2.gz WMTPVWZJNSNFKS-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN CCc1ccc(N(C)CCC#N)cc1 49806318 573096780 /nfs/dbraw/zinc/09/67/80/573096780.db2.gz OPBRMJCMMCTKBX-UHFFFAOYSA-N 0 0 188.274 2.599 10 30 AFEERN C=C[C@H](C)Nc1ccccc1COC 234754314 573096913 /nfs/dbraw/zinc/09/69/13/573096913.db2.gz IVMZQKXQBZYCDI-JTQLQIEISA-N 0 0 191.274 2.819 10 30 AFEERN CC(C[C@@H](C)Nc1ccccc1)=NO 308260663 573096942 /nfs/dbraw/zinc/09/69/42/573096942.db2.gz JNGQWHINENKTKA-SECBINFHSA-N 0 0 192.262 2.727 10 30 AFEERN C=C(C)C[C@@H](C)c1nc(CC)no1 308254912 573096993 /nfs/dbraw/zinc/09/69/93/573096993.db2.gz IJAJSUQCLCBXLX-MRVPVSSYSA-N 0 0 180.251 2.702 10 30 AFEERN CCCc1cc(N=[N+]=[N-])no1 238277317 573097170 /nfs/dbraw/zinc/09/71/70/573097170.db2.gz CMNGASFCNBHBAA-UHFFFAOYSA-N 0 0 152.157 2.569 10 30 AFEERN C=CCCCC(=O)OC1CC(C)C1 308260692 573097183 /nfs/dbraw/zinc/09/71/83/573097183.db2.gz NEIOFTGZQBPGTL-UHFFFAOYSA-N 0 0 182.263 2.684 10 30 AFEERN CON=C/C(Cl)=C\c1ccccc1 308502029 573097466 /nfs/dbraw/zinc/09/74/66/573097466.db2.gz XJXSZOBTSPOBSY-KEBJEMEDSA-N 0 0 195.649 2.899 10 30 AFEERN CC(C)C[C@H](C#N)C(=O)CC1CC1 49804718 573097528 /nfs/dbraw/zinc/09/75/28/573097528.db2.gz ZPOHBTQJLCQVNA-SNVBAGLBSA-N 0 0 179.263 2.541 10 30 AFEERN Cc1c(Cl)c2ccccn2c1C#N 259326416 573097580 /nfs/dbraw/zinc/09/75/80/573097580.db2.gz DOWIVGRCQGYWLA-UHFFFAOYSA-N 0 0 190.633 2.773 10 30 AFEERN CC[C@H]1C(=O)C[C@H]1c1cccc(C#N)c1 88177900 573098025 /nfs/dbraw/zinc/09/80/25/573098025.db2.gz YMBDTZCEKPNNQY-NEPJUHHUSA-N 0 0 199.253 2.641 10 30 AFEERN CC#C[C@@H]([C@@H](O)C(C)C)[Si](C)(C)C 222627034 573098031 /nfs/dbraw/zinc/09/80/31/573098031.db2.gz FUXDTHWSOBNUQD-QWRGUYRKSA-N 0 0 198.382 2.735 10 30 AFEERN C=C(C)C[C@H](C)c1nc(CC)no1 308254913 573098458 /nfs/dbraw/zinc/09/84/58/573098458.db2.gz IJAJSUQCLCBXLX-QMMMGPOBSA-N 0 0 180.251 2.702 10 30 AFEERN CC(C)[C@H](C)Oc1cccc(C#N)c1 227636574 573098516 /nfs/dbraw/zinc/09/85/16/573098516.db2.gz XKITXOUQIDDZKD-JTQLQIEISA-N 0 0 189.258 2.982 10 30 AFEERN N#Cc1cc(-c2cccc(F)c2)c[nH]1 259326405 573098711 /nfs/dbraw/zinc/09/87/11/573098711.db2.gz WXQLWZSNIPGPNQ-UHFFFAOYSA-N 0 0 186.189 2.692 10 30 AFEERN CC[C@H](C)c1nc(CC#N)cs1 82562971 573098721 /nfs/dbraw/zinc/09/87/21/573098721.db2.gz IIQSULANORHFJS-ZETCQYMHSA-N 0 0 180.276 2.723 10 30 AFEERN CON=C/C(Cl)=C/c1ccccc1 308502027 573099443 /nfs/dbraw/zinc/09/94/43/573099443.db2.gz XJXSZOBTSPOBSY-FDXVRJRFSA-N 0 0 195.649 2.899 10 30 AFEERN N#CC[C@H]1Cc2cc(Cl)ccc2O1 259327512 573099689 /nfs/dbraw/zinc/09/96/89/573099689.db2.gz GJMXEMGBVSJGOY-VIFPVBQESA-N 0 0 193.633 2.557 10 30 AFEERN CC(C)=CCON=Cc1ccco1 308255270 573099846 /nfs/dbraw/zinc/09/98/46/573099846.db2.gz IRNZVCBBJLGLIH-UHFFFAOYSA-N 0 0 179.219 2.596 10 30 AFEERN CC[C@@H](C)c1nc(CC#N)cs1 82562970 573099872 /nfs/dbraw/zinc/09/98/72/573099872.db2.gz IIQSULANORHFJS-SSDOTTSWSA-N 0 0 180.276 2.723 10 30 AFEERN CC[C@@H]1C[C@@H](C)C(=O)C=C1C 238278898 573100195 /nfs/dbraw/zinc/10/01/95/573100195.db2.gz GEONJBQERSNXAC-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H](C=O)c1ccc(F)cc1Cl 85656921 573100243 /nfs/dbraw/zinc/10/02/43/573100243.db2.gz MBNPQAPSJFJOLD-LURJTMIESA-N 0 0 186.613 2.782 10 30 AFEERN COc1c(C)c(Cl)cc(C#N)c1C 257943647 573100302 /nfs/dbraw/zinc/10/03/02/573100302.db2.gz ACSSALNGJMKAKN-UHFFFAOYSA-N 0 0 195.649 2.837 10 30 AFEERN CC[C@H]1C(=O)C[C@H]1c1ccc(C#N)cc1 88177864 573100330 /nfs/dbraw/zinc/10/03/30/573100330.db2.gz AHLSDUHDUFNNBK-NEPJUHHUSA-N 0 0 199.253 2.641 10 30 AFEERN CC[C@@H](O)[C@H](C)C#CC1=CCCCC1 238278178 573101091 /nfs/dbraw/zinc/10/10/91/573101091.db2.gz ZKQRCBFBBICWRU-DGCLKSJQSA-N 0 0 192.302 2.897 10 30 AFEERN C=CCCC(=O)O[C@@H](CC)CC=C 308245849 573101432 /nfs/dbraw/zinc/10/14/32/573101432.db2.gz VOXBKLPHDBKMKJ-JTQLQIEISA-N 0 0 182.263 2.851 10 30 AFEERN Cc1cc2cc(C#N)cc3c2n1CCC3 259326636 573101562 /nfs/dbraw/zinc/10/15/62/573101562.db2.gz HFFOGCSAOCOWFL-UHFFFAOYSA-N 0 0 196.253 2.768 10 30 AFEERN C=CCCC[C@H](C)Nc1ncns1 308258011 573101727 /nfs/dbraw/zinc/10/17/27/573101727.db2.gz LZLSNTWFQWYCPG-QMMMGPOBSA-N 0 0 197.307 2.695 10 30 AFEERN O=CCCCC(Cl)(Cl)Cl 114677790 573101731 /nfs/dbraw/zinc/10/17/31/573101731.db2.gz IDYXREPUHUWJST-UHFFFAOYSA-N 0 0 189.469 2.726 10 30 AFEERN C=C[C@@H]([C@H](O)CC)[Si](C)(C)C 238278878 573102183 /nfs/dbraw/zinc/10/21/83/573102183.db2.gz KCOHVBWMPDVTCP-BDAKNGLRSA-N 0 0 172.344 2.652 10 30 AFEERN Cc1ccc(C(=O)C2(C#N)CC2)cc1C 259328043 573102341 /nfs/dbraw/zinc/10/23/41/573102341.db2.gz YHQFWLWGWVBSHA-UHFFFAOYSA-N 0 0 199.253 2.790 10 30 AFEERN C=C(C)[C@H](CC)NC(=O)OC(C)(C)C 238278180 573102661 /nfs/dbraw/zinc/10/26/61/573102661.db2.gz JYJVRDPMFMLVEG-VIFPVBQESA-N 0 0 199.294 2.866 10 30 AFEERN C=CC[C@]1(OC)CC=CCC1 222636244 573102794 /nfs/dbraw/zinc/10/27/94/573102794.db2.gz RPYKOEOXNAFAPR-JTQLQIEISA-N 0 0 152.237 2.688 10 30 AFEERN C=CCCC[C@@H](C)Nc1ncns1 308258010 573102845 /nfs/dbraw/zinc/10/28/45/573102845.db2.gz LZLSNTWFQWYCPG-MRVPVSSYSA-N 0 0 197.307 2.695 10 30 AFEERN CCC1=CC(=O)[C@H](CC)C[C@H]1C 238278929 573103725 /nfs/dbraw/zinc/10/37/25/573103725.db2.gz WYLOBJCMIBSANX-PSASIEDQSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H](C=C(C)C)[C@H](O)CC 238278868 573104078 /nfs/dbraw/zinc/10/40/78/573104078.db2.gz LAXHOIAFZIWAKF-NXEZZACHSA-N 0 0 154.253 2.526 10 30 AFEERN N#Cc1ccc2c(c1F)CCCC2 257940894 573104666 /nfs/dbraw/zinc/10/46/66/573104666.db2.gz DFBWAENMMWAAHN-UHFFFAOYSA-N 0 0 175.206 2.576 10 30 AFEERN CC(CC1CCC1)=NNC(C)(C)C 308263796 573106525 /nfs/dbraw/zinc/10/65/25/573106525.db2.gz OQBWRKUDSFAULO-UHFFFAOYSA-N 0 0 182.311 2.941 10 30 AFEERN C=CCCCn1ccc(CCC)n1 308212410 573106533 /nfs/dbraw/zinc/10/65/33/573106533.db2.gz GZUOOVKDCUSLFG-UHFFFAOYSA-N 0 0 178.279 2.802 10 30 AFEERN Cc1ccc(-c2ncsc2C#N)o1 259328375 573106621 /nfs/dbraw/zinc/10/66/21/573106621.db2.gz SCONOKPEUPSWEC-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN CCC(C)(C)OC/C=C\CS 211650461 573107145 /nfs/dbraw/zinc/10/71/45/573107145.db2.gz RSRYYDWNNPLPBW-WAYWQWQTSA-N 0 0 174.309 2.678 10 30 AFEERN C[C@@H](F)[C@@H](CC=O)C1CCCC1 257953567 573107976 /nfs/dbraw/zinc/10/79/76/573107976.db2.gz WOJBKWAIGUFBPE-PSASIEDQSA-N 0 0 172.243 2.740 10 30 AFEERN C/C=C\COCC(C)(C)CS 211650125 573108097 /nfs/dbraw/zinc/10/80/97/573108097.db2.gz OFWREYFLRIMOCM-PLNGDYQASA-N 0 0 174.309 2.535 10 30 AFEERN CC(C)c1cocc1C1(C#N)CC1 259601463 573108187 /nfs/dbraw/zinc/10/81/87/573108187.db2.gz GRGDUDXUGPDMAP-UHFFFAOYSA-N 0 0 175.231 2.958 10 30 AFEERN COc1cc(C)cc(C)c1[C@H]1O[C@H]1C 259330401 573108283 /nfs/dbraw/zinc/10/82/83/573108283.db2.gz OPXGDORFRCKEMQ-CABZTGNLSA-N 0 0 192.258 2.772 10 30 AFEERN N#Cc1cnc2c(c1)Cc1ccccc1-2 259600666 573108710 /nfs/dbraw/zinc/10/87/10/573108710.db2.gz GCDPVRLASDQMRB-UHFFFAOYSA-N 0 0 192.221 2.524 10 30 AFEERN COc1cc(C)cc(C)c1[C@@H]1O[C@H]1C 259330404 573108755 /nfs/dbraw/zinc/10/87/55/573108755.db2.gz OPXGDORFRCKEMQ-JOYOIKCWSA-N 0 0 192.258 2.772 10 30 AFEERN Cc1cc2occc2cc1C(=O)CC#N 259329995 573108840 /nfs/dbraw/zinc/10/88/40/573108840.db2.gz BOBCUJULYXSVBC-UHFFFAOYSA-N 0 0 199.209 2.838 10 30 AFEERN C=CC[C@@H](O)c1cc(Cl)ccc1N 141975060 573109177 /nfs/dbraw/zinc/10/91/77/573109177.db2.gz ZCBXHNJRKQUCSA-SNVBAGLBSA-N 0 0 197.665 2.532 10 30 AFEERN C[C@H](F)[C@H](CC=O)C1CCCC1 257953572 573109626 /nfs/dbraw/zinc/10/96/26/573109626.db2.gz WOJBKWAIGUFBPE-WPRPVWTQSA-N 0 0 172.243 2.740 10 30 AFEERN C[C@H](F)[C@@H](CC=O)C1CCCC1 257953570 573110510 /nfs/dbraw/zinc/11/05/10/573110510.db2.gz WOJBKWAIGUFBPE-WCBMZHEXSA-N 0 0 172.243 2.740 10 30 AFEERN C=CC[C@H](O)c1cc(Cl)ccc1N 141974855 573110094 /nfs/dbraw/zinc/11/00/94/573110094.db2.gz ZCBXHNJRKQUCSA-JTQLQIEISA-N 0 0 197.665 2.532 10 30 AFEERN C=CCCCN(C)c1nc(C)cs1 308263775 573110276 /nfs/dbraw/zinc/11/02/76/573110276.db2.gz ODIXGPQEXRFGPV-UHFFFAOYSA-N 0 0 196.319 2.854 10 30 AFEERN C/C=C\COC[C@H](CC)CS 211651083 573110609 /nfs/dbraw/zinc/11/06/09/573110609.db2.gz PIHKCDXKEMSRIC-LVCFMKKZSA-N 0 0 174.309 2.535 10 30 AFEERN CCCc1nc(C)c(CCC#N)s1 259330223 573110915 /nfs/dbraw/zinc/11/09/15/573110915.db2.gz OVBFRTFWZXHSLZ-UHFFFAOYSA-N 0 0 194.303 2.860 10 30 AFEERN CCN(C)N=C1CCC[C@H]1C1CC1 308496128 573111421 /nfs/dbraw/zinc/11/14/21/573111421.db2.gz UBHJYICLLOGQEJ-JTQLQIEISA-N 0 0 180.295 2.504 10 30 AFEERN CC[C@H]1C=C(C)C(=O)C1(C)C 238285445 573111467 /nfs/dbraw/zinc/11/14/67/573111467.db2.gz KJHROSUYIMXRSW-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cc(C2=CC(=O)CC2)ccc1F 77275084 573111574 /nfs/dbraw/zinc/11/15/74/573111574.db2.gz AHQDJEXSMWIUPY-UHFFFAOYSA-N 0 0 190.217 2.880 10 30 AFEERN COc1cc(C)cc(C)c1[C@@H]1O[C@@H]1C 259330398 573111672 /nfs/dbraw/zinc/11/16/72/573111672.db2.gz OPXGDORFRCKEMQ-BXKDBHETSA-N 0 0 192.258 2.772 10 30 AFEERN CCN(C)N=C1CCC[C@@H]1C1CC1 308496131 573111726 /nfs/dbraw/zinc/11/17/26/573111726.db2.gz UBHJYICLLOGQEJ-SNVBAGLBSA-N 0 0 180.295 2.504 10 30 AFEERN C=C1C[C@H](CC)C(=O)[C@@H](CC)C1 238286292 573111931 /nfs/dbraw/zinc/11/19/31/573111931.db2.gz QZKAHHSMATXCDL-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1[C@@H](CC)[C@@H]1C(=O)C(C)(C)C 238286351 573112012 /nfs/dbraw/zinc/11/20/12/573112012.db2.gz DNKXAOZRPYQQAI-RKDXNWHRSA-N 0 0 166.264 2.814 10 30 AFEERN CCC1=C[C@H](CC)[C@@H](C)CC1=O 238285496 573112094 /nfs/dbraw/zinc/11/20/94/573112094.db2.gz GMPHNSDWHLAQBT-IUCAKERBSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H]1CC(=O)C2=C1CCCC2 238286638 573112114 /nfs/dbraw/zinc/11/21/14/573112114.db2.gz DGNDUHLQVNUWDR-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN C=C(C)c1cc(OCC)ccc1N 238285849 573112160 /nfs/dbraw/zinc/11/21/60/573112160.db2.gz UELWCYVIQYENEW-UHFFFAOYSA-N 0 0 177.247 2.701 10 30 AFEERN C=C1C[C@H](CC)C(=O)[C@H](CC)C1 238286275 573112216 /nfs/dbraw/zinc/11/22/16/573112216.db2.gz QZKAHHSMATXCDL-AOOOYVTPSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(F)c(F)cc1[C@@H](C)CC=O 257953928 573112750 /nfs/dbraw/zinc/11/27/50/573112750.db2.gz BFJCIDZULWTIPR-ZETCQYMHSA-N 0 0 198.212 2.966 10 30 AFEERN CC[C@H]1C=CCC=C2C(=O)CC[C@H]21 238285732 573112956 /nfs/dbraw/zinc/11/29/56/573112956.db2.gz OMOMVAIIVPWLCQ-UWVGGRQHSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccc(C(=O)C=CO)c(Cl)c1 114700110 573113183 /nfs/dbraw/zinc/11/31/83/573113183.db2.gz VLIZFNVEFXECBF-SNAWJCMRSA-N 0 0 196.633 2.903 10 30 AFEERN Cc1c(N)cc(C#N)c2ccsc12 307030105 573113341 /nfs/dbraw/zinc/11/33/41/573113341.db2.gz PFKXXADOTDVBFI-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CC1=C(CC=O)CCC1(C)C 142067685 573113954 /nfs/dbraw/zinc/11/39/54/573113954.db2.gz BSWFXYISSJCWRY-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@H]1C=CCC=C2C(=O)CC[C@@H]21 238285719 573114081 /nfs/dbraw/zinc/11/40/81/573114081.db2.gz OMOMVAIIVPWLCQ-VHSXEESVSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@H](CC=O)c1cccc2[nH]ccc12 257953899 573114091 /nfs/dbraw/zinc/11/40/91/573114091.db2.gz BEQRPMWLLZVMHY-SECBINFHSA-N 0 0 187.242 2.860 10 30 AFEERN C=CC(=O)c1c(C)[nH]c(C)c1CC 238286897 573114456 /nfs/dbraw/zinc/11/44/56/573114456.db2.gz HGHHGELPSPLAHP-UHFFFAOYSA-N 0 0 177.247 2.563 10 30 AFEERN C[C@H](CC=O)c1ccc2ncoc2c1 257953990 573114600 /nfs/dbraw/zinc/11/46/00/573114600.db2.gz BHDVWTKUZFEFJR-MRVPVSSYSA-N 0 0 189.214 2.520 10 30 AFEERN C=CCCCOC(=O)/C=C/C(C)C 308261892 573114773 /nfs/dbraw/zinc/11/47/73/573114773.db2.gz NRHLETRAMMHSJP-BQYQJAHWSA-N 0 0 182.263 2.708 10 30 AFEERN C[C@@H](CC=O)c1cccc2[nH]ccc12 257953902 573115450 /nfs/dbraw/zinc/11/54/50/573115450.db2.gz BEQRPMWLLZVMHY-VIFPVBQESA-N 0 0 187.242 2.860 10 30 AFEERN C[C@@H](CC=O)C(Cl)(Cl)Cl 142056964 573115441 /nfs/dbraw/zinc/11/54/41/573115441.db2.gz RQLRKYOIFKDOAA-BYPYZUCNSA-N 0 0 189.469 2.582 10 30 AFEERN C=C[C@](C)(CC)[C@H](O)C(=C)C 238287319 573115479 /nfs/dbraw/zinc/11/54/79/573115479.db2.gz KJFNTKPLONPZMZ-NXEZZACHSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@@]12CCCC=C1C(=O)CC2 114784863 573115525 /nfs/dbraw/zinc/11/55/25/573115525.db2.gz XKJJVTYTIUUMNL-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN CSc1cc(CC#N)ccc1F 257943839 573115595 /nfs/dbraw/zinc/11/55/95/573115595.db2.gz DRPKQMABELEROM-UHFFFAOYSA-N 0 0 181.235 2.614 10 30 AFEERN C=C1C[C@@H](O)CCC2=C(C)CC[C@H]12 144034896 573115598 /nfs/dbraw/zinc/11/55/98/573115598.db2.gz OWUUIWMGCNHSSO-CMPLNLGQSA-N 0 0 178.275 2.814 10 30 AFEERN C=C[C@@H](C(C)(C)O)[Si](C)(C)C 197992715 573116723 /nfs/dbraw/zinc/11/67/23/573116723.db2.gz OLCDLNXQAZLJAH-QMMMGPOBSA-N 0 0 172.344 2.652 10 30 AFEERN C[C@@H](CC=O)c1ccc2ncoc2c1 257953992 573116900 /nfs/dbraw/zinc/11/69/00/573116900.db2.gz BHDVWTKUZFEFJR-QMMMGPOBSA-N 0 0 189.214 2.520 10 30 AFEERN Cc1cc(F)c(F)cc1[C@H](C)CC=O 257953925 573117045 /nfs/dbraw/zinc/11/70/45/573117045.db2.gz BFJCIDZULWTIPR-SSDOTTSWSA-N 0 0 198.212 2.966 10 30 AFEERN CC(C)=CC[C@H](O)C#C[Si](C)(C)C 197992689 573117645 /nfs/dbraw/zinc/11/76/45/573117645.db2.gz FMOLUCIQRXDVAH-NSHDSACASA-N 0 0 196.366 2.584 10 30 AFEERN Fc1cccc2[nH]c(CS)cc12 257944113 573117290 /nfs/dbraw/zinc/11/72/90/573117290.db2.gz GLMRPIVHOJALNT-UHFFFAOYSA-N 0 0 181.235 2.737 10 30 AFEERN C=C[C@](C)(CC)[C@@H](O)C(=C)C 238287263 573117358 /nfs/dbraw/zinc/11/73/58/573117358.db2.gz KJFNTKPLONPZMZ-VHSXEESVSA-N 0 0 154.253 2.526 10 30 AFEERN C=C[C@@H]1C[C@H]1C(=O)c1ccccc1 197087563 573118231 /nfs/dbraw/zinc/11/82/31/573118231.db2.gz NBHPCXYPNADLSA-MWLCHTKSSA-N 0 0 172.227 2.691 10 30 AFEERN C=C1C[C@@H](O)CCC2=C(C)CC[C@@H]12 144034488 573118234 /nfs/dbraw/zinc/11/82/34/573118234.db2.gz OWUUIWMGCNHSSO-JQWIXIFHSA-N 0 0 178.275 2.814 10 30 AFEERN C=C[C@H]1C[C@@H]1C(=O)c1ccccc1 197087550 573118405 /nfs/dbraw/zinc/11/84/05/573118405.db2.gz NBHPCXYPNADLSA-ONGXEEELSA-N 0 0 172.227 2.691 10 30 AFEERN C=C1C[C@H](O)CCC2=C(C)CC[C@H]12 144034675 573118522 /nfs/dbraw/zinc/11/85/22/573118522.db2.gz OWUUIWMGCNHSSO-ZYHUDNBSSA-N 0 0 178.275 2.814 10 30 AFEERN C=C[C@H]1C[C@H]1C(=O)c1ccccc1 197087575 573118605 /nfs/dbraw/zinc/11/86/05/573118605.db2.gz NBHPCXYPNADLSA-GXSJLCMTSA-N 0 0 172.227 2.691 10 30 AFEERN C=C(CSc1ccc(O)cc1)OC 308266522 573118710 /nfs/dbraw/zinc/11/87/10/573118710.db2.gz PXDCDASEHMGQFV-UHFFFAOYSA-N 0 0 196.271 2.644 10 30 AFEERN C=C(C)[C@@]12CCC(=O)[C@@H]1[C@@H]2CC 238288224 573118894 /nfs/dbraw/zinc/11/88/94/573118894.db2.gz HBTYASLVQAZNGS-INTQDDNPSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@H]1CC(CCO)=CC[C@@H]1C=C 308240964 573119142 /nfs/dbraw/zinc/11/91/42/573119142.db2.gz YKCDOWNHXRDRPQ-NWDGAFQWSA-N 0 0 178.275 2.693 10 30 AFEERN C=CC[C@](C)(CC)C(C)=O 238287844 573119622 /nfs/dbraw/zinc/11/96/22/573119622.db2.gz CBRJOFXKFQGGES-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN Cc1ccc2[nH]c(CS)cc2c1 257948549 573119805 /nfs/dbraw/zinc/11/98/05/573119805.db2.gz WTXDONYJLDUKMX-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN Cc1ccc2cc(CC=O)sc2c1 258233771 573119859 /nfs/dbraw/zinc/11/98/59/573119859.db2.gz QCJKIRJXOINLKH-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN C=C[C@]12CCCC=C1C(=O)CC2 114784861 573120220 /nfs/dbraw/zinc/12/02/20/573120220.db2.gz XKJJVTYTIUUMNL-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C=C[C@H](C(C)(C)O)[Si](C)(C)C 197992711 573120027 /nfs/dbraw/zinc/12/00/27/573120027.db2.gz OLCDLNXQAZLJAH-MRVPVSSYSA-N 0 0 172.344 2.652 10 30 AFEERN C=CC[C@H](C)Nc1ccc(N)c(C)c1 143983712 573120104 /nfs/dbraw/zinc/12/01/04/573120104.db2.gz BVJFYAAZIZPUGW-JTQLQIEISA-N 0 0 190.290 2.954 10 30 AFEERN C=C(CC)CC(=O)C1(OC)CCCC1 128760587 573120124 /nfs/dbraw/zinc/12/01/24/573120124.db2.gz VRAWLWSLUCOQEH-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN COc1cc(C#N)cc2cc(C)oc12 257947616 573120413 /nfs/dbraw/zinc/12/04/13/573120413.db2.gz ALPLKUQWROMPEP-UHFFFAOYSA-N 0 0 187.198 2.622 10 30 AFEERN C=C[C@]12CCCC[C@H]1C(=O)CC2 114784960 573120230 /nfs/dbraw/zinc/12/02/30/573120230.db2.gz VSPRTZZZKWQQCO-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN N#CCc1c2n(c3ccccc13)CCC2 214852090 573120333 /nfs/dbraw/zinc/12/03/33/573120333.db2.gz QOFMBTXWXOUSLD-UHFFFAOYSA-N 0 0 196.253 2.654 10 30 AFEERN Cc1ccc(C(F)(F)C=O)cc1C 257947686 573120340 /nfs/dbraw/zinc/12/03/40/573120340.db2.gz VVPNGYRIVBLAOY-UHFFFAOYSA-N 0 0 184.185 2.594 10 30 AFEERN CN(N=CC1CC1)c1ccccc1 308267049 573120437 /nfs/dbraw/zinc/12/04/37/573120437.db2.gz QCISSQCGNBLUKJ-UHFFFAOYSA-N 0 0 174.247 2.519 10 30 AFEERN CCSC1=CC(=O)C[C@H](C)C1 238280656 573120912 /nfs/dbraw/zinc/12/09/12/573120912.db2.gz HTAOUYVCWKKVNS-ZETCQYMHSA-N 0 0 170.277 2.622 10 30 AFEERN Cc1cc(O)c(CC#N)cc1C(C)C 257947664 573121009 /nfs/dbraw/zinc/12/10/09/573121009.db2.gz AMSVBUJTDMQNRC-UHFFFAOYSA-N 0 0 189.258 2.890 10 30 AFEERN CCSC1=CCCCCC1=O 238280748 573121037 /nfs/dbraw/zinc/12/10/37/573121037.db2.gz RNHJPGULTKBIBS-UHFFFAOYSA-N 0 0 170.277 2.767 10 30 AFEERN C=C1C[C@H](O)CCC2=C(C)CC[C@@H]12 144034271 573121297 /nfs/dbraw/zinc/12/12/97/573121297.db2.gz OWUUIWMGCNHSSO-PWSUYJOCSA-N 0 0 178.275 2.814 10 30 AFEERN C=CC[C@@H](C)Nc1ccc(N)c(C)c1 143983932 573121306 /nfs/dbraw/zinc/12/13/06/573121306.db2.gz BVJFYAAZIZPUGW-SNVBAGLBSA-N 0 0 190.290 2.954 10 30 AFEERN CC1([C@@H](C#N)NC2CCCC2)CCC1 686131160 573121315 /nfs/dbraw/zinc/12/13/15/573121315.db2.gz BGQDZMZJYUQYLG-LLVKDONJSA-N 0 0 192.306 2.601 10 30 AFEERN CCC1([C@@H]2OCCC[C@H]2C#N)CCC1 686131181 573121330 /nfs/dbraw/zinc/12/13/30/573121330.db2.gz PPMKIJGALSLIHH-WDEREUQCSA-N 0 0 193.290 2.885 10 30 AFEERN C[C@H](CC=O)c1cc(CF)ccc1O 257947754 573121345 /nfs/dbraw/zinc/12/13/45/573121345.db2.gz APBFUSXHDSVQQA-MRVPVSSYSA-N 0 0 196.221 2.554 10 30 AFEERN C/C=C\COc1ccc(C#N)cc1F 220356618 573121975 /nfs/dbraw/zinc/12/19/75/573121975.db2.gz HLYSUGKTQLBWAV-IHWYPQMZSA-N 0 0 191.205 2.652 10 30 AFEERN C=C[C@H](C)OC(=O)C1=C(C)CCC1 308274461 573122109 /nfs/dbraw/zinc/12/21/09/573122109.db2.gz UOSYBFNPMCIGCF-VIFPVBQESA-N 0 0 180.247 2.605 10 30 AFEERN CCc1ccc(CCC=O)cc1CC 257947675 573122565 /nfs/dbraw/zinc/12/25/65/573122565.db2.gz ANBLASTVQBXOGP-UHFFFAOYSA-N 0 0 190.286 2.943 10 30 AFEERN C[C@@H](CC=O)c1cc(CF)ccc1O 257947755 573123038 /nfs/dbraw/zinc/12/30/38/573123038.db2.gz APBFUSXHDSVQQA-QMMMGPOBSA-N 0 0 196.221 2.554 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CCC(F)F 308268510 573123110 /nfs/dbraw/zinc/12/31/10/573123110.db2.gz QYIBCOMHHZTSHF-SSDOTTSWSA-N 0 0 192.205 2.540 10 30 AFEERN CC[C@H]1CC(=O)C2=C(CCC2)C1 238288860 573123292 /nfs/dbraw/zinc/12/32/92/573123292.db2.gz RSLJLLAPTLTFJM-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN CC[C@H](C#N)C(=O)C1C(C)(C)C1(C)C 85709867 573123328 /nfs/dbraw/zinc/12/33/28/573123328.db2.gz RQPKQRSLTGRETK-MRVPVSSYSA-N 0 0 193.290 2.787 10 30 AFEERN CC[C@@H](C#N)C(=O)C1C(C)(C)C1(C)C 85709864 573123439 /nfs/dbraw/zinc/12/34/39/573123439.db2.gz RQPKQRSLTGRETK-QMMMGPOBSA-N 0 0 193.290 2.787 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CCC(F)F 308268512 573123591 /nfs/dbraw/zinc/12/35/91/573123591.db2.gz QYIBCOMHHZTSHF-ZETCQYMHSA-N 0 0 192.205 2.540 10 30 AFEERN CC[C@](C#N)(NC(C)C)C1CCCC1 387522985 573123702 /nfs/dbraw/zinc/12/37/02/573123702.db2.gz IEYOGKSRIPCUJG-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN CC1([C@H](C#N)NC2CCCC2)CCC1 686131163 573123884 /nfs/dbraw/zinc/12/38/84/573123884.db2.gz BGQDZMZJYUQYLG-NSHDSACASA-N 0 0 192.306 2.601 10 30 AFEERN CC/C(=N/O)Nc1ccc(Cl)cc1 238280717 573123995 /nfs/dbraw/zinc/12/39/95/573123995.db2.gz NOTSQFQHCLLXSU-UHFFFAOYSA-N 0 0 198.653 2.950 10 30 AFEERN CCC(Nc1ccc(Cl)cc1)=[NH+]C 238280532 573124058 /nfs/dbraw/zinc/12/40/58/573124058.db2.gz ZEXROHZRZLLSAG-UHFFFAOYSA-N 0 0 196.681 2.999 10 30 AFEERN C=C[C@@H](C)OC(=O)C1=C(C)CCC1 308274460 573124148 /nfs/dbraw/zinc/12/41/48/573124148.db2.gz UOSYBFNPMCIGCF-SECBINFHSA-N 0 0 180.247 2.605 10 30 AFEERN CCSC1=CC(=O)C[C@@H](C)C1 238280642 573124167 /nfs/dbraw/zinc/12/41/67/573124167.db2.gz HTAOUYVCWKKVNS-SSDOTTSWSA-N 0 0 170.277 2.622 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1CC(C)C1 308274974 573124297 /nfs/dbraw/zinc/12/42/97/573124297.db2.gz UUCMFQSXAZMKQY-HWOCKDDLSA-N 0 0 182.263 2.540 10 30 AFEERN C=CCC[C@H](C)Nc1c(C)n[nH]c1C 131945343 573124312 /nfs/dbraw/zinc/12/43/12/573124312.db2.gz MQRNCWUMIQRBJP-QMMMGPOBSA-N 0 0 193.294 2.793 10 30 AFEERN CC1=CC(=O)C(C)(C)C[C@H]1C 224836709 573124455 /nfs/dbraw/zinc/12/44/55/573124455.db2.gz BMCDFLRETJKRLU-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CCSC1=CCC[C@@H](C)C1=O 238280767 573124707 /nfs/dbraw/zinc/12/47/07/573124707.db2.gz YORZPAZGKZDWDI-SSDOTTSWSA-N 0 0 170.277 2.622 10 30 AFEERN CCC1([C@H]2OCCC[C@H]2C#N)CCC1 686131180 573124709 /nfs/dbraw/zinc/12/47/09/573124709.db2.gz PPMKIJGALSLIHH-QWRGUYRKSA-N 0 0 193.290 2.885 10 30 AFEERN SCCc1ccc2c(c1)CCCN2 259335061 573124755 /nfs/dbraw/zinc/12/47/55/573124755.db2.gz XRGNHMOIGNRWDH-UHFFFAOYSA-N 0 0 193.315 2.517 10 30 AFEERN CC1=CC(=O)C(C)(C)C[C@@H]1C 224836751 573124765 /nfs/dbraw/zinc/12/47/65/573124765.db2.gz BMCDFLRETJKRLU-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc(C(=O)C2(C#N)CC2)c(C)c1 259334419 573125041 /nfs/dbraw/zinc/12/50/41/573125041.db2.gz YSKUGRAQQQPELY-UHFFFAOYSA-N 0 0 199.253 2.790 10 30 AFEERN CCC1([C@H]2OCCC[C@@H]2C#N)CCC1 686131177 573125246 /nfs/dbraw/zinc/12/52/46/573125246.db2.gz PPMKIJGALSLIHH-MNOVXSKESA-N 0 0 193.290 2.885 10 30 AFEERN C#CCCCSc1nc(C)cs1 161028717 573125612 /nfs/dbraw/zinc/12/56/12/573125612.db2.gz AHDBCSJOBFCEHL-UHFFFAOYSA-N 0 0 197.328 2.957 10 30 AFEERN CC(C)c1cc[nH]c2nc(C#N)cc1-2 259335777 573125752 /nfs/dbraw/zinc/12/57/52/573125752.db2.gz LKUNTITYCJNDKJ-UHFFFAOYSA-N 0 0 185.230 2.558 10 30 AFEERN CCSC1=CCC[C@H](C)C1=O 238280845 573125807 /nfs/dbraw/zinc/12/58/07/573125807.db2.gz YORZPAZGKZDWDI-ZETCQYMHSA-N 0 0 170.277 2.622 10 30 AFEERN Cc1cc(F)cc(NCCCC#N)c1 85730710 573125997 /nfs/dbraw/zinc/12/59/97/573125997.db2.gz YSKYUWPVGSZTPF-UHFFFAOYSA-N 0 0 192.237 2.850 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1CC1(C)C 308272962 573126149 /nfs/dbraw/zinc/12/61/49/573126149.db2.gz TUPUWHCFQDEUNO-BDAKNGLRSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@@](F)(C=O)c1ccccc1Cl 257949278 573126441 /nfs/dbraw/zinc/12/64/41/573126441.db2.gz VYPBQZJIKRPGBT-SECBINFHSA-N 0 0 186.613 2.724 10 30 AFEERN Cc1ccc(C)c(-c2c[nH]nc2C#N)c1 259335192 573126447 /nfs/dbraw/zinc/12/64/47/573126447.db2.gz DXSNCHQKNCEJJF-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C[C@](F)(C=O)c1ccccc1Cl 257949279 573126484 /nfs/dbraw/zinc/12/64/84/573126484.db2.gz VYPBQZJIKRPGBT-VIFPVBQESA-N 0 0 186.613 2.724 10 30 AFEERN C=C[C@](C)(/C=C/C)[C@H](O)CC 238281553 573126831 /nfs/dbraw/zinc/12/68/31/573126831.db2.gz QQMWNFZMLAMZOC-STFJZOTBSA-N 0 0 154.253 2.526 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@H]1CC1(C)C 308272965 573126832 /nfs/dbraw/zinc/12/68/32/573126832.db2.gz TUPUWHCFQDEUNO-RKDXNWHRSA-N 0 0 182.263 2.540 10 30 AFEERN C=C1C[C@]2(CC)CCCC(=O)[C@H]12 238282137 573127014 /nfs/dbraw/zinc/12/70/14/573127014.db2.gz HLQZTNIPMGHQEK-QWRGUYRKSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@@H](C#N)Nc1cc(C)cc(F)c1 85730400 573127046 /nfs/dbraw/zinc/12/70/46/573127046.db2.gz XEJDVGCCXLBCDG-JTQLQIEISA-N 0 0 192.237 2.848 10 30 AFEERN CCc1cc2[nH]c(C#N)cc2s1 259333874 573127296 /nfs/dbraw/zinc/12/72/96/573127296.db2.gz BSJDHSQXJJMVHM-UHFFFAOYSA-N 0 0 176.244 2.663 10 30 AFEERN C=CCCC(=O)OC(C)(C)C1CC1 308272970 573127556 /nfs/dbraw/zinc/12/75/56/573127556.db2.gz TUWFLTYVIMISFR-UHFFFAOYSA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1CC1(C)C 308272964 573127857 /nfs/dbraw/zinc/12/78/57/573127857.db2.gz TUPUWHCFQDEUNO-IUCAKERBSA-N 0 0 182.263 2.540 10 30 AFEERN C=C1C=CC(=C)[C@H](CCC)[C@H]1C=O 238281801 573127884 /nfs/dbraw/zinc/12/78/84/573127884.db2.gz GMTTYLFYTZVARI-RYUDHWBXSA-N 0 0 176.259 2.900 10 30 AFEERN C=C(C)c1cccnc1Cl 141953366 573128762 /nfs/dbraw/zinc/12/87/62/573128762.db2.gz UWWYUEMCOUTADI-UHFFFAOYSA-N 0 0 153.612 2.768 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C(F)=C(C)C 308273381 573128770 /nfs/dbraw/zinc/12/87/70/573128770.db2.gz TZTGFGXHBGNIFF-QMMMGPOBSA-N 0 0 186.226 2.758 10 30 AFEERN Cc1cc(F)cc(NC(C)(C)C#N)c1 85730451 573128838 /nfs/dbraw/zinc/12/88/38/573128838.db2.gz WXKHAWHKGGQQKI-UHFFFAOYSA-N 0 0 192.237 2.848 10 30 AFEERN CC[C@H]1C[C@@H](CC)C(C)=CC1=O 238282567 573129172 /nfs/dbraw/zinc/12/91/72/573129172.db2.gz PXTMNDRAPLXJKU-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1C=CC(=C)[C@H](CCC)[C@@H]1C=O 238282885 573129627 /nfs/dbraw/zinc/12/96/27/573129627.db2.gz GMTTYLFYTZVARI-NWDGAFQWSA-N 0 0 176.259 2.900 10 30 AFEERN CCC1=CC(=O)[C@H](CC)C[C@@H]1C 238282123 573129663 /nfs/dbraw/zinc/12/96/63/573129663.db2.gz WYLOBJCMIBSANX-WCBMZHEXSA-N 0 0 166.264 2.958 10 30 AFEERN N#CC1(C(=O)c2cccs2)CCC1 259339596 573129681 /nfs/dbraw/zinc/12/96/81/573129681.db2.gz ZCTFWYMRSYUWPS-UHFFFAOYSA-N 0 0 191.255 2.625 10 30 AFEERN C=C1C[C@]2(CC)CCCC(=O)[C@@H]12 238282204 573129768 /nfs/dbraw/zinc/12/97/68/573129768.db2.gz HLQZTNIPMGHQEK-MNOVXSKESA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@@H]1c2ccccc2[C@@H]2C[C@@]21C=O 238282532 573129814 /nfs/dbraw/zinc/12/98/14/573129814.db2.gz PYXALYYQPOIOEC-AGIUHOORSA-N 0 0 186.254 2.866 10 30 AFEERN C=C(CC)C[C@H](O)C1(OC)CCCC1 128776856 573129875 /nfs/dbraw/zinc/12/98/75/573129875.db2.gz YSDFSJUDFSAJDG-NSHDSACASA-N 0 0 198.306 2.663 10 30 AFEERN C=CC(=O)C[C@@](C)(Cl)CC 238282040 573129922 /nfs/dbraw/zinc/12/99/22/573129922.db2.gz YVWNESAIJVYXRM-QMMMGPOBSA-N 0 0 160.644 2.539 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CC1(C)CC1 308277275 573130243 /nfs/dbraw/zinc/13/02/43/573130243.db2.gz VPMPBVCBSVVQCI-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN Cc1cc(F)cc(NC[C@@H](C)C#N)c1 85730902 573130632 /nfs/dbraw/zinc/13/06/32/573130632.db2.gz WNXCBLKLGHXLAL-VIFPVBQESA-N 0 0 192.237 2.706 10 30 AFEERN Cc1cc(F)cc(NC[C@H](C)C#N)c1 85730905 573130727 /nfs/dbraw/zinc/13/07/27/573130727.db2.gz WNXCBLKLGHXLAL-SECBINFHSA-N 0 0 192.237 2.706 10 30 AFEERN Cc1cc(F)cc(N[C@H](C)CC#N)c1 85730991 573130742 /nfs/dbraw/zinc/13/07/42/573130742.db2.gz IOXSAOXUANOEIM-SECBINFHSA-N 0 0 192.237 2.848 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CC1(C)CC1 308277283 573130808 /nfs/dbraw/zinc/13/08/08/573130808.db2.gz VPMPBVCBSVVQCI-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN CC[C@H](C#N)Nc1cc(C)cc(F)c1 85730405 573130888 /nfs/dbraw/zinc/13/08/88/573130888.db2.gz XEJDVGCCXLBCDG-SNVBAGLBSA-N 0 0 192.237 2.848 10 30 AFEERN CCc1ccc(O)c(C(C)(C)C#N)c1 238282775 573131160 /nfs/dbraw/zinc/13/11/60/573131160.db2.gz BXZGJRWYGKZASI-UHFFFAOYSA-N 0 0 189.258 2.756 10 30 AFEERN CC[C@@H]1C[C@H](C)C(=O)C=C1C 238282092 573131346 /nfs/dbraw/zinc/13/13/46/573131346.db2.gz GEONJBQERSNXAC-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN N#C[C@@H]1C[C@@H]1c1c[nH]c2ccccc12 259336716 573131407 /nfs/dbraw/zinc/13/14/07/573131407.db2.gz YUMAAPMYYQNHPQ-WPRPVWTQSA-N 0 0 182.226 2.795 10 30 AFEERN N#C[C@H]1C[C@@H]1c1c[nH]c2ccccc12 259336711 573131419 /nfs/dbraw/zinc/13/14/19/573131419.db2.gz YUMAAPMYYQNHPQ-SCZZXKLOSA-N 0 0 182.226 2.795 10 30 AFEERN COc1c(C)cc(Cl)c(C#N)c1C 257951704 573131484 /nfs/dbraw/zinc/13/14/84/573131484.db2.gz AXWSXNHXBLKLCK-UHFFFAOYSA-N 0 0 195.649 2.837 10 30 AFEERN Cc1cc(F)cc(N[C@@H](C)CC#N)c1 85730986 573131506 /nfs/dbraw/zinc/13/15/06/573131506.db2.gz IOXSAOXUANOEIM-VIFPVBQESA-N 0 0 192.237 2.848 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H]1CC1(C)C 308272963 573131569 /nfs/dbraw/zinc/13/15/69/573131569.db2.gz TUPUWHCFQDEUNO-DTWKUNHWSA-N 0 0 182.263 2.540 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C(F)=C(C)C 308273380 573131632 /nfs/dbraw/zinc/13/16/32/573131632.db2.gz TZTGFGXHBGNIFF-MRVPVSSYSA-N 0 0 186.226 2.758 10 30 AFEERN Cn1cc(-c2cccs2)cc1C#N 259339976 573131633 /nfs/dbraw/zinc/13/16/33/573131633.db2.gz XWQJOFIPTHWMNK-UHFFFAOYSA-N 0 0 188.255 2.625 10 30 AFEERN C=C(CC)C[C@@H](O)C1(OC)CCCC1 128777120 573131943 /nfs/dbraw/zinc/13/19/43/573131943.db2.gz YSDFSJUDFSAJDG-LLVKDONJSA-N 0 0 198.306 2.663 10 30 AFEERN C=CC[C@]1(C)C=CC(=O)C=C1F 141956287 573132099 /nfs/dbraw/zinc/13/20/99/573132099.db2.gz DRDYCXDIVKOHNM-SNVBAGLBSA-N 0 0 166.195 2.561 10 30 AFEERN Cc1ccc(N[C@@H](C)CC=NO)cc1 308279643 573132329 /nfs/dbraw/zinc/13/23/29/573132329.db2.gz WVWHBDQBKVAFMC-JTQLQIEISA-N 0 0 192.262 2.646 10 30 AFEERN C=CCC[C@H](C)OC(=O)C=C(C)C 308277593 573132681 /nfs/dbraw/zinc/13/26/81/573132681.db2.gz VSOJQDHXVUJJSD-JTQLQIEISA-N 0 0 182.263 2.851 10 30 AFEERN Cc1ccc([C@@H](C)CC=O)c(C)c1O 257951724 573132735 /nfs/dbraw/zinc/13/27/35/573132735.db2.gz AYTCKYUITVGGSN-QMMMGPOBSA-N 0 0 192.258 2.702 10 30 AFEERN Cc1ccc([C@H](C)CC=O)c(C)c1O 257951723 573132860 /nfs/dbraw/zinc/13/28/60/573132860.db2.gz AYTCKYUITVGGSN-MRVPVSSYSA-N 0 0 192.258 2.702 10 30 AFEERN C=CCCC[C@H]([NH3+])c1ccc(C)o1 128798703 573133133 /nfs/dbraw/zinc/13/31/33/573133133.db2.gz YGLSAJKLBKTFIM-JTQLQIEISA-N 0 0 179.263 2.944 10 30 AFEERN CCCCc1ccnc(Cl)c1C#N 306548017 573134116 /nfs/dbraw/zinc/13/41/16/573134116.db2.gz BEZILZCNQAXFQP-UHFFFAOYSA-N 0 0 194.665 2.949 10 30 AFEERN C=CCC[C@H](C)Sc1cnccn1 308279082 573133264 /nfs/dbraw/zinc/13/32/64/573133264.db2.gz WIBLQJMTKPVPDA-VIFPVBQESA-N 0 0 194.303 2.923 10 30 AFEERN C=CCC[C@@H](C)OC(=O)C=C(C)C 308277596 573133361 /nfs/dbraw/zinc/13/33/61/573133361.db2.gz VSOJQDHXVUJJSD-SNVBAGLBSA-N 0 0 182.263 2.851 10 30 AFEERN CCNC=C1CCC[C@@H](C(C)C)C1=O 308278377 573133485 /nfs/dbraw/zinc/13/34/85/573133485.db2.gz ULCXCBPVWZFWJY-UQSGXBNBSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)COC(=O)/C=C/C(C)(C)C 308279333 573133536 /nfs/dbraw/zinc/13/35/36/573133536.db2.gz XBLNDCVEKBWPSH-VOTSOKGWSA-N 0 0 182.263 2.708 10 30 AFEERN C=CC[C@@H](CC)OC(=O)/C=C\CC 308248245 573133637 /nfs/dbraw/zinc/13/36/37/573133637.db2.gz ZBAWLTZXYZCDMD-UJICNMFASA-N 0 0 182.263 2.851 10 30 AFEERN CC=CC(=O)C1=CC[C@H](C)CC1 141930865 573133726 /nfs/dbraw/zinc/13/37/26/573133726.db2.gz WHCFYBLKMUUCBG-VIFPVBQESA-N 0 0 164.248 2.878 10 30 AFEERN CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC=O 218846505 573133751 /nfs/dbraw/zinc/13/37/51/573133751.db2.gz MSAXZGLMNZDDQN-CJOPTALJSA-N 0 0 194.274 2.527 10 30 AFEERN CC=CC(=O)C1=CC[C@@H](C)CC1 141931072 573133787 /nfs/dbraw/zinc/13/37/87/573133787.db2.gz WHCFYBLKMUUCBG-SECBINFHSA-N 0 0 164.248 2.878 10 30 AFEERN CCSc1ccc(CC=O)cc1 257951878 573133903 /nfs/dbraw/zinc/13/39/03/573133903.db2.gz WILLIXJMTUQVLQ-UHFFFAOYSA-N 0 0 180.272 2.540 10 30 AFEERN C=CCC[C@@H](C)OC(=O)C1(C)CC1 308279623 573134362 /nfs/dbraw/zinc/13/43/62/573134362.db2.gz WMKWMYPSXCBJDL-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCC[C@@H](C)Sc1cnccn1 308279080 573134420 /nfs/dbraw/zinc/13/44/20/573134420.db2.gz WIBLQJMTKPVPDA-SECBINFHSA-N 0 0 194.303 2.923 10 30 AFEERN N#Cc1ccc(CF)cc1Cl 257952082 573134569 /nfs/dbraw/zinc/13/45/69/573134569.db2.gz FSZREEOSWLEVKV-UHFFFAOYSA-N 0 0 169.586 2.681 10 30 AFEERN C[C@H](c1ccsc1)N(C)CCC#N 308280289 573135310 /nfs/dbraw/zinc/13/53/10/573135310.db2.gz WUKOZJFCXZFNTG-SECBINFHSA-N 0 0 194.303 2.655 10 30 AFEERN C/C=C\COCc1cccc(C#N)c1 220362416 573136045 /nfs/dbraw/zinc/13/60/45/573136045.db2.gz UKSRPJMQPPPCGI-IHWYPQMZSA-N 0 0 187.242 2.651 10 30 AFEERN N#Cc1cccc2cc(Cl)[nH]c12 259878869 573135277 /nfs/dbraw/zinc/13/52/77/573135277.db2.gz AIDJWQLRTGTPLC-UHFFFAOYSA-N 0 0 176.606 2.693 10 30 AFEERN C=CCC[C@H](C)OC(=O)C1(C)CC1 308279624 573135394 /nfs/dbraw/zinc/13/53/94/573135394.db2.gz WMKWMYPSXCBJDL-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN N#C[C@H]1C[C@H]1c1c[nH]c2ccccc12 259336709 573135569 /nfs/dbraw/zinc/13/55/69/573135569.db2.gz YUMAAPMYYQNHPQ-PSASIEDQSA-N 0 0 182.226 2.795 10 30 AFEERN N#C[C@@H]1C[C@H]1c1c[nH]c2ccccc12 259336713 573135718 /nfs/dbraw/zinc/13/57/18/573135718.db2.gz YUMAAPMYYQNHPQ-WCBMZHEXSA-N 0 0 182.226 2.795 10 30 AFEERN C=C(C)COC(=O)/C=C\C(C)(C)C 308279332 573135865 /nfs/dbraw/zinc/13/58/65/573135865.db2.gz XBLNDCVEKBWPSH-SREVYHEPSA-N 0 0 182.263 2.708 10 30 AFEERN C=C(C)[C@]12CCC(=O)[C@H]1[C@@H]2CC 238284672 573136023 /nfs/dbraw/zinc/13/60/23/573136023.db2.gz HBTYASLVQAZNGS-GDPRMGEGSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)(C=O)C[C@@H]1CC[C@H](C2CC2)O1 715498095 573136132 /nfs/dbraw/zinc/13/61/32/573136132.db2.gz RZSPFMBJNWOQDQ-WDEREUQCSA-N 0 0 196.290 2.559 10 30 AFEERN Cc1ccc(N[C@H](C)CC=NO)cc1 308279649 573136171 /nfs/dbraw/zinc/13/61/71/573136171.db2.gz WVWHBDQBKVAFMC-SNVBAGLBSA-N 0 0 192.262 2.646 10 30 AFEERN CC(C)(C=O)C[C@@H]1CC[C@@H](C2CC2)O1 715498094 573136173 /nfs/dbraw/zinc/13/61/73/573136173.db2.gz RZSPFMBJNWOQDQ-QWRGUYRKSA-N 0 0 196.290 2.559 10 30 AFEERN Cc1ccsc1[C@]1(C#N)C[C@@H]1C 259034973 573136256 /nfs/dbraw/zinc/13/62/56/573136256.db2.gz RZYKCRVVFZURRD-WPRPVWTQSA-N 0 0 177.272 2.858 10 30 AFEERN C=CCCC[C@@H]([NH3+])c1ccc(C)o1 128798490 573136422 /nfs/dbraw/zinc/13/64/22/573136422.db2.gz YGLSAJKLBKTFIM-SNVBAGLBSA-N 0 0 179.263 2.944 10 30 AFEERN CCC(CC)C[C@@](C)(C#N)C(C)=O 128801447 573136565 /nfs/dbraw/zinc/13/65/65/573136565.db2.gz SDHRRTLKGBEVBN-NSHDSACASA-N 0 0 181.279 2.932 10 30 AFEERN Cc1c(CC#N)ccc2ccoc12 114912748 573136749 /nfs/dbraw/zinc/13/67/49/573136749.db2.gz FYBHCKLPZHWHBG-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN C=CCCC[C@H](NCC)C(F)(F)F 128813598 573136954 /nfs/dbraw/zinc/13/69/54/573136954.db2.gz DSPFOKIEJFWXEU-QMMMGPOBSA-N 0 0 195.228 2.883 10 30 AFEERN Cc1ccsc1[C@@]1(C#N)C[C@H]1C 259034963 573137281 /nfs/dbraw/zinc/13/72/81/573137281.db2.gz RZYKCRVVFZURRD-PSASIEDQSA-N 0 0 177.272 2.858 10 30 AFEERN C=CCCC[C@@H](NCC)C(F)(F)F 128813810 573137494 /nfs/dbraw/zinc/13/74/94/573137494.db2.gz DSPFOKIEJFWXEU-MRVPVSSYSA-N 0 0 195.228 2.883 10 30 AFEERN CC(C)(C=O)C[C@H]1CC[C@@H](C2CC2)O1 715498084 573137505 /nfs/dbraw/zinc/13/75/05/573137505.db2.gz RZSPFMBJNWOQDQ-MNOVXSKESA-N 0 0 196.290 2.559 10 30 AFEERN CCC(CC)C[C@]1(C#N)CCOC1 128798714 573137987 /nfs/dbraw/zinc/13/79/87/573137987.db2.gz ZEUDDLJRQOPJRX-NSHDSACASA-N 0 0 181.279 2.743 10 30 AFEERN CC[C@H]1CCC(C(C)=O)=C1C 238289681 573138005 /nfs/dbraw/zinc/13/80/05/573138005.db2.gz BUKOWURWYKZBLN-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN COc1c(C)cc(C)cc1[C@H]1O[C@H]1C 259338086 573138142 /nfs/dbraw/zinc/13/81/42/573138142.db2.gz OXPKZZLDGHUBAZ-CABZTGNLSA-N 0 0 192.258 2.772 10 30 AFEERN CCC(CC)C[C@](C)(C#N)C(C)=O 128801676 573138150 /nfs/dbraw/zinc/13/81/50/573138150.db2.gz SDHRRTLKGBEVBN-LLVKDONJSA-N 0 0 181.279 2.932 10 30 AFEERN CCCCCCCCC[C@H](N)C#N 143742201 573138238 /nfs/dbraw/zinc/13/82/38/573138238.db2.gz FJJJJJASZCGAJW-NSHDSACASA-N 0 0 182.311 2.978 10 30 AFEERN C/C=C\COCc1ccccc1C#N 220361252 573138309 /nfs/dbraw/zinc/13/83/09/573138309.db2.gz KWAWBDCJLNFGRM-IHWYPQMZSA-N 0 0 187.242 2.651 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1CC(C)C1 308274977 573138372 /nfs/dbraw/zinc/13/83/72/573138372.db2.gz UUCMFQSXAZMKQY-KYHHOPLUSA-N 0 0 182.263 2.540 10 30 AFEERN N#CCc1ccccc1C1CC1 114912731 573138427 /nfs/dbraw/zinc/13/84/27/573138427.db2.gz YULXAVXITUPLIC-UHFFFAOYSA-N 0 0 157.216 2.630 10 30 AFEERN COc1c(C)ccc(C#N)c1C(C)C 257955968 573138441 /nfs/dbraw/zinc/13/84/41/573138441.db2.gz BJXSHIVXLCCBFC-UHFFFAOYSA-N 0 0 189.258 2.999 10 30 AFEERN Cc1cccc2c1CC[C@@H]2CC=O 257956531 573138508 /nfs/dbraw/zinc/13/85/08/573138508.db2.gz WYKNSNAFMXBISQ-SNVBAGLBSA-N 0 0 174.243 2.614 10 30 AFEERN Cc1ccc2ccoc2c1CC#N 114912840 573139191 /nfs/dbraw/zinc/13/91/91/573139191.db2.gz OVYFNNSUCAXAKY-UHFFFAOYSA-N 0 0 171.199 2.807 10 30 AFEERN COc1c(C)cc(C)cc1[C@@H]1O[C@@H]1C 259338084 573139235 /nfs/dbraw/zinc/13/92/35/573139235.db2.gz OXPKZZLDGHUBAZ-BXKDBHETSA-N 0 0 192.258 2.772 10 30 AFEERN C=C(CSc1ccccc1O)OC 308280659 573139246 /nfs/dbraw/zinc/13/92/46/573139246.db2.gz XPKHCONIGHFKIX-UHFFFAOYSA-N 0 0 196.271 2.644 10 30 AFEERN CC(C)C(O)=CC(=O)C(C)(C)C 212232024 573139288 /nfs/dbraw/zinc/13/92/88/573139288.db2.gz AUCHFNUKOPDTQN-VURMDHGXSA-N 0 0 170.252 2.700 10 30 AFEERN CCS[C@@H]1C=C(C)CC[C@@H]1C=O 238289232 573139289 /nfs/dbraw/zinc/13/92/89/573139289.db2.gz UHCLMTQXGXIYPX-NXEZZACHSA-N 0 0 184.304 2.663 10 30 AFEERN CCS[C@@H]1C=C(C)CC[C@H]1C=O 238289245 573139583 /nfs/dbraw/zinc/13/95/83/573139583.db2.gz UHCLMTQXGXIYPX-VHSXEESVSA-N 0 0 184.304 2.663 10 30 AFEERN C=C[C@@H](C)OC(=O)c1ccc(C)s1 308280707 573139721 /nfs/dbraw/zinc/13/97/21/573139721.db2.gz WUWALDMFNHQYTA-SSDOTTSWSA-N 0 0 196.271 2.788 10 30 AFEERN CC[C@@H](C#N)c1cccc(F)c1F 114910039 573139797 /nfs/dbraw/zinc/13/97/97/573139797.db2.gz UWHWXORNRWGWIP-ZETCQYMHSA-N 0 0 181.185 2.982 10 30 AFEERN Cc1ccsc1[C@]1(C#N)C[C@H]1C 259034965 573139837 /nfs/dbraw/zinc/13/98/37/573139837.db2.gz RZYKCRVVFZURRD-SCZZXKLOSA-N 0 0 177.272 2.858 10 30 AFEERN CC[C@@H]1CC(=O)C2=C(CCC2)C1 238299605 573139865 /nfs/dbraw/zinc/13/98/65/573139865.db2.gz RSLJLLAPTLTFJM-QMMMGPOBSA-N 0 0 164.248 2.856 10 30 AFEERN Cc1ccsc1[C@@]1(C#N)C[C@@H]1C 259034969 573140014 /nfs/dbraw/zinc/14/00/14/573140014.db2.gz RZYKCRVVFZURRD-WCBMZHEXSA-N 0 0 177.272 2.858 10 30 AFEERN CCC1=C[C@@H](CC)[C@@H](C)CC1=O 238299726 573140024 /nfs/dbraw/zinc/14/00/24/573140024.db2.gz GMPHNSDWHLAQBT-DTWKUNHWSA-N 0 0 166.264 2.958 10 30 AFEERN Nc1cccc2scc(CS)c12 258549986 573140033 /nfs/dbraw/zinc/14/00/33/573140033.db2.gz HXURWYZXMNGFKC-UHFFFAOYSA-N 0 0 195.312 2.913 10 30 AFEERN CCSc1ccc(C#N)c(F)c1 238299264 573140051 /nfs/dbraw/zinc/14/00/51/573140051.db2.gz VIXMYDSURLUJEQ-UHFFFAOYSA-N 0 0 181.235 2.809 10 30 AFEERN C=C[C@@H](CC)C(=O)C(C)(C)C 238289818 573140312 /nfs/dbraw/zinc/14/03/12/573140312.db2.gz MSVKMFFRINDUME-QMMMGPOBSA-N 0 0 154.253 2.814 10 30 AFEERN Cc1nc(SC[C@@H](C)C#N)oc1C 235491113 573140601 /nfs/dbraw/zinc/14/06/01/573140601.db2.gz IIBOVHXHHPLUNA-LURJTMIESA-N 0 0 196.275 2.543 10 30 AFEERN N#Cc1cc2c([O-])cc(F)cc2s1 306857685 573140773 /nfs/dbraw/zinc/14/07/73/573140773.db2.gz BHBCSPDISLVPOC-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN Cc1cccc2c1CC[C@H]2CC=O 257956530 573141032 /nfs/dbraw/zinc/14/10/32/573141032.db2.gz WYKNSNAFMXBISQ-JTQLQIEISA-N 0 0 174.243 2.614 10 30 AFEERN CC(C)C(Cc1ccc(F)cc1)=NO 308281340 573141220 /nfs/dbraw/zinc/14/12/20/573141220.db2.gz UYWVCMWGSAJCSK-UHFFFAOYSA-N 0 0 195.237 2.854 10 30 AFEERN COc1c(C)cc(C)cc1[C@H]1O[C@@H]1C 259338088 573141463 /nfs/dbraw/zinc/14/14/63/573141463.db2.gz OXPKZZLDGHUBAZ-SKDRFNHKSA-N 0 0 192.258 2.772 10 30 AFEERN CCc1ccc(SC)c(C#N)c1 238289685 573141619 /nfs/dbraw/zinc/14/16/19/573141619.db2.gz CWRTVAIDEBBJFJ-UHFFFAOYSA-N 0 0 177.272 2.843 10 30 AFEERN C=CCC[C@@H](O)c1cc(C)cc(C)n1 308507772 573141696 /nfs/dbraw/zinc/14/16/96/573141696.db2.gz AOHOJUKEKFKBKH-GFCCVEGCSA-N 0 0 191.274 2.698 10 30 AFEERN C=CC[C@@H]1CCC[C@@H]1NC(C)(C)C#N 308507933 573141784 /nfs/dbraw/zinc/14/17/84/573141784.db2.gz JMIXQASHWWTVAZ-MNOVXSKESA-N 0 0 192.306 2.623 10 30 AFEERN Cc1occc1SC[C@@H](C)C#N 235490803 573141797 /nfs/dbraw/zinc/14/17/97/573141797.db2.gz IJHRUARKTKYAMK-ZETCQYMHSA-N 0 0 181.260 2.840 10 30 AFEERN CC[C@H]1CCC(=O)C(C)=C1C 238289160 573141826 /nfs/dbraw/zinc/14/18/26/573141826.db2.gz VEHHHPIQLGQZMH-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN CCC1CC[C@H](CC)C(=O)C1=O 238289789 573141842 /nfs/dbraw/zinc/14/18/42/573141842.db2.gz ZWJJSFMMCBQYNQ-ZETCQYMHSA-N 0 0 168.236 2.598 10 30 AFEERN CCc1nc([C@@H](C#N)C(C)C)[nH]c1C 258547400 573142154 /nfs/dbraw/zinc/14/21/54/573142154.db2.gz KMEWHXBVYJRGSO-VIFPVBQESA-N 0 0 191.278 2.544 10 30 AFEERN CCC1=C[C@@H](CC)[C@H](C)CC1=O 238299747 573142227 /nfs/dbraw/zinc/14/22/27/573142227.db2.gz GMPHNSDWHLAQBT-RKDXNWHRSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C#N)c1cccc(F)c1F 114910041 573142286 /nfs/dbraw/zinc/14/22/86/573142286.db2.gz UWHWXORNRWGWIP-SSDOTTSWSA-N 0 0 181.185 2.982 10 30 AFEERN CC(C)c1ccnc2c1cc(C#N)n2C 259338355 573142311 /nfs/dbraw/zinc/14/23/11/573142311.db2.gz LNJXNPYPFPYAOY-UHFFFAOYSA-N 0 0 199.257 2.568 10 30 AFEERN Cc1c(O)ccc([C@@H](C)C#N)c1C 114913809 573142328 /nfs/dbraw/zinc/14/23/28/573142328.db2.gz ISCYFCXFZRXJJK-ZETCQYMHSA-N 0 0 175.231 2.636 10 30 AFEERN CC(=O)C(=O)Cc1ccccc1Cl 258550339 573142482 /nfs/dbraw/zinc/14/24/82/573142482.db2.gz JAMYROWLKXYVEY-POHAHGRESA-N 0 0 196.633 2.828 10 30 AFEERN ON=C1CCC[C@@H]1c1ccc(F)cc1 308281528 573142483 /nfs/dbraw/zinc/14/24/83/573142483.db2.gz UREJBOZTRBDGRN-SNVBAGLBSA-N 0 0 193.221 2.923 10 30 AFEERN COc1c(C)cc(C)cc1[C@@H]1O[C@H]1C 259338087 573142522 /nfs/dbraw/zinc/14/25/22/573142522.db2.gz OXPKZZLDGHUBAZ-JOYOIKCWSA-N 0 0 192.258 2.772 10 30 AFEERN C=C(CO)[C@@H](C=C(C)C)CC 238289690 573142637 /nfs/dbraw/zinc/14/26/37/573142637.db2.gz FXDRUZGHPUTENS-SNVBAGLBSA-N 0 0 154.253 2.527 10 30 AFEERN CCSc1ccc(C#N)c(OC)c1 238299312 573142647 /nfs/dbraw/zinc/14/26/47/573142647.db2.gz SJHBRTQNQNXVOW-UHFFFAOYSA-N 0 0 193.271 2.679 10 30 AFEERN CC[C@H]1CCCC[C@@H]1CC=O 82658825 573142649 /nfs/dbraw/zinc/14/26/49/573142649.db2.gz SCRSPNDWLJBAHX-VHSXEESVSA-N 0 0 154.253 2.792 10 30 AFEERN CC(F)(F)[C@H](C#N)C1CCC1 258545801 573142801 /nfs/dbraw/zinc/14/28/01/573142801.db2.gz OZODNBHBQKNQBE-SSDOTTSWSA-N 0 0 159.179 2.581 10 30 AFEERN C=CC[C@H]1CCC[C@@H]1NC(C)(C)C#N 308507934 573142831 /nfs/dbraw/zinc/14/28/31/573142831.db2.gz JMIXQASHWWTVAZ-QWRGUYRKSA-N 0 0 192.306 2.623 10 30 AFEERN CCn1nc(CCC#N)c2ccccc21 89178380 573142944 /nfs/dbraw/zinc/14/29/44/573142944.db2.gz OMXPPKCMMKSVNZ-UHFFFAOYSA-N 0 0 199.257 2.512 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1CC=O 82658824 573143170 /nfs/dbraw/zinc/14/31/70/573143170.db2.gz SCRSPNDWLJBAHX-NXEZZACHSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@@H]1CCCC[C@H]1N(C)[C@@H](C)C#N 82657768 573143576 /nfs/dbraw/zinc/14/35/76/573143576.db2.gz XEOBGIQHLSGTKM-QJPTWQEYSA-N 0 0 194.322 2.799 10 30 AFEERN N#C[C@@H](F)C1CCCCCC1 259342704 573143595 /nfs/dbraw/zinc/14/35/95/573143595.db2.gz PEUOCRRZMBKVOX-SECBINFHSA-N 0 0 155.216 2.818 10 30 AFEERN C=C/C(C)=C\CC[C@H](C)C=O 225298782 573143871 /nfs/dbraw/zinc/14/38/71/573143871.db2.gz PPHPQEWFVARVSX-MBACFSSFSA-N 0 0 152.237 2.734 10 30 AFEERN C=CC[C@@H]1CCC[C@H]1NC(C)(C)C#N 308507931 573143941 /nfs/dbraw/zinc/14/39/41/573143941.db2.gz JMIXQASHWWTVAZ-GHMZBOCLSA-N 0 0 192.306 2.623 10 30 AFEERN C=CCC[C@H](O)c1cc(C)cc(C)n1 308507774 573144016 /nfs/dbraw/zinc/14/40/16/573144016.db2.gz AOHOJUKEKFKBKH-LBPRGKRZSA-N 0 0 191.274 2.698 10 30 AFEERN CC[C@@H]1C=C(C(C)=O)CCC1 238290129 573144429 /nfs/dbraw/zinc/14/44/29/573144429.db2.gz IRGWCIMKVASBSY-VIFPVBQESA-N 0 0 152.237 2.712 10 30 AFEERN COC(C)(C)c1cccc(CC#N)c1 259343703 573144475 /nfs/dbraw/zinc/14/44/75/573144475.db2.gz HIKHRGQAWAOKLO-UHFFFAOYSA-N 0 0 189.258 2.634 10 30 AFEERN CC[C@H]1CCC/C=C/C(=O)C1 238289908 573145069 /nfs/dbraw/zinc/14/50/69/573145069.db2.gz GQWGLPKDGYGOMK-IWGCBNPKSA-N 0 0 152.237 2.712 10 30 AFEERN CCc1nc([C@H](C#N)C(C)C)[nH]c1C 258547398 573145257 /nfs/dbraw/zinc/14/52/57/573145257.db2.gz KMEWHXBVYJRGSO-SECBINFHSA-N 0 0 191.278 2.544 10 30 AFEERN C=CC[C@H]1CCC(=C)[C@@]1(C)CCO 308203512 573145369 /nfs/dbraw/zinc/14/53/69/573145369.db2.gz GHSTZQJYHIRYDZ-NWDGAFQWSA-N 0 0 180.291 2.917 10 30 AFEERN ON=C1CCC[C@H]1c1ccc(F)cc1 308281527 573145552 /nfs/dbraw/zinc/14/55/52/573145552.db2.gz UREJBOZTRBDGRN-JTQLQIEISA-N 0 0 193.221 2.923 10 30 AFEERN C=CC[C@H]1CCC[C@H]1NC(C)(C)C#N 308507936 573145844 /nfs/dbraw/zinc/14/58/44/573145844.db2.gz JMIXQASHWWTVAZ-WDEREUQCSA-N 0 0 192.306 2.623 10 30 AFEERN C#CC(C)(C)Nc1ccc(C)cc1C#N 235756265 573145869 /nfs/dbraw/zinc/14/58/69/573145869.db2.gz JJUYSLSUSHYSMD-UHFFFAOYSA-N 0 0 198.269 2.690 10 30 AFEERN Cc1cccc(-c2nc(C#N)[nH]c2C)c1 258552053 573146318 /nfs/dbraw/zinc/14/63/18/573146318.db2.gz LAFSDEWSZVOYIA-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN Oc1cccc2occ(CS)c12 258538601 573146501 /nfs/dbraw/zinc/14/65/01/573146501.db2.gz HJDQDNULBDMNJO-UHFFFAOYSA-N 0 0 180.228 2.568 10 30 AFEERN C=C[C@@H](CC)c1ccccc1N 238290666 573146536 /nfs/dbraw/zinc/14/65/36/573146536.db2.gz NRKXGKHGVYYPDG-VIFPVBQESA-N 0 0 161.248 2.948 10 30 AFEERN C=C/C(C)=C\CC[C@@H](C)C=O 225298850 573146575 /nfs/dbraw/zinc/14/65/75/573146575.db2.gz PPHPQEWFVARVSX-ABRRARGCSA-N 0 0 152.237 2.734 10 30 AFEERN C=C[C@@H](CC)C(C)(C)C(C)=O 238289915 573147128 /nfs/dbraw/zinc/14/71/28/573147128.db2.gz LDBWGLJKVSLZQM-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@@H](CC)C(=O)Nc1ccccc1 238289880 573147259 /nfs/dbraw/zinc/14/72/59/573147259.db2.gz JGPIAESBKHRDLJ-JTQLQIEISA-N 0 0 189.258 2.837 10 30 AFEERN CC(=O)/C(C)=C\c1cncc(Cl)c1 230452722 573147335 /nfs/dbraw/zinc/14/73/35/573147335.db2.gz RFWXWJSITHFRBO-CLTKARDFSA-N 0 0 195.649 2.727 10 30 AFEERN C=C[C@@H](CC)C1=C(C)CCC1=O 238289988 573147398 /nfs/dbraw/zinc/14/73/98/573147398.db2.gz DHWPFBJWPBWMJL-VIFPVBQESA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@H](C)OC(=O)CCC1CCC1 308287368 573147504 /nfs/dbraw/zinc/14/75/04/573147504.db2.gz ZPSAWBVZZZHNHK-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)CCC1CCC1 308287366 573147760 /nfs/dbraw/zinc/14/77/60/573147760.db2.gz ZPSAWBVZZZHNHK-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1=CCCC1 308287737 573147785 /nfs/dbraw/zinc/14/77/85/573147785.db2.gz ZULLFETXANOBMI-VIFPVBQESA-N 0 0 180.247 2.605 10 30 AFEERN C=C[C@@H](CC)[C@H](O)C(C)(C)C 238290517 573147838 /nfs/dbraw/zinc/14/78/38/573147838.db2.gz LNYFBHAZVLKRMN-IUCAKERBSA-N 0 0 156.269 2.606 10 30 AFEERN CCC[C@@H](CC=O)C(F)(F)F 258481795 573148100 /nfs/dbraw/zinc/14/81/00/573148100.db2.gz JEOSUGPIFMMFPW-LURJTMIESA-N 0 0 168.158 2.554 10 30 AFEERN CC[C@H]1CCCC[C@H]1CC=O 82658827 573147949 /nfs/dbraw/zinc/14/79/49/573147949.db2.gz SCRSPNDWLJBAHX-UWVGGRQHSA-N 0 0 154.253 2.792 10 30 AFEERN CC[C@@H]1CCCC[C@H]1CC=O 82658826 573148064 /nfs/dbraw/zinc/14/80/64/573148064.db2.gz SCRSPNDWLJBAHX-ZJUUUORDSA-N 0 0 154.253 2.792 10 30 AFEERN N#C[C@H](F)C1CCCCCC1 259342705 573148643 /nfs/dbraw/zinc/14/86/43/573148643.db2.gz PEUOCRRZMBKVOX-VIFPVBQESA-N 0 0 155.216 2.818 10 30 AFEERN C=CCNc1ccc(COCC)cc1 308504567 573148815 /nfs/dbraw/zinc/14/88/15/573148815.db2.gz IBUKCVXFGIQIIM-UHFFFAOYSA-N 0 0 191.274 2.821 10 30 AFEERN Cc1ccc(NCCCS)cc1 258551901 573149286 /nfs/dbraw/zinc/14/92/86/573149286.db2.gz ARGQXVRIFXWZKH-UHFFFAOYSA-N 0 0 181.304 2.727 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1=CCCC1 308287731 573149768 /nfs/dbraw/zinc/14/97/68/573149768.db2.gz ZULLFETXANOBMI-SECBINFHSA-N 0 0 180.247 2.605 10 30 AFEERN CCC[C@H](CC#N)C(F)(F)F 258550725 573149803 /nfs/dbraw/zinc/14/98/03/573149803.db2.gz PIHSJMWROCWRBZ-ZCFIWIBFSA-N 0 0 165.158 2.879 10 30 AFEERN CCC[C@H](CC=O)C(F)(F)F 258481805 573149919 /nfs/dbraw/zinc/14/99/19/573149919.db2.gz JEOSUGPIFMMFPW-ZCFIWIBFSA-N 0 0 168.158 2.554 10 30 AFEERN CCS[C@H]1C=C(C)CC[C@H]1C=O 238291481 573150121 /nfs/dbraw/zinc/15/01/21/573150121.db2.gz UHCLMTQXGXIYPX-UWVGGRQHSA-N 0 0 184.304 2.663 10 30 AFEERN C(=NOCCC1CC1)[C@H]1CCSC1 308288698 573150781 /nfs/dbraw/zinc/15/07/81/573150781.db2.gz CLFMNATYQQJBOM-SNVBAGLBSA-N 0 0 199.319 2.542 10 30 AFEERN C=CC(=O)C[C@](C)(Cl)CC 238291842 573151738 /nfs/dbraw/zinc/15/17/38/573151738.db2.gz YVWNESAIJVYXRM-MRVPVSSYSA-N 0 0 160.644 2.539 10 30 AFEERN C=C([C@@H](O)CC1CCC1)C(F)(F)F 308239652 573151831 /nfs/dbraw/zinc/15/18/31/573151831.db2.gz XNDZBUXOAQLSJX-QMMMGPOBSA-N 0 0 194.196 2.656 10 30 AFEERN C=CCCC(C)=NN[C@@H](C)C(F)F 308287783 573151910 /nfs/dbraw/zinc/15/19/10/573151910.db2.gz ZUZMMEUYXWULAE-QMMMGPOBSA-N 0 0 190.237 2.572 10 30 AFEERN C=C[C@@H](C)[N@H+](C)Cc1occc1C 308288990 573152506 /nfs/dbraw/zinc/15/25/06/573152506.db2.gz CWCSVACMRRWOAS-SNVBAGLBSA-N 0 0 179.263 2.594 10 30 AFEERN CC(CSCc1ccccc1)=NO 308284603 573152904 /nfs/dbraw/zinc/15/29/04/573152904.db2.gz YJLVNFPEKGWYII-UHFFFAOYSA-N 0 0 195.287 2.770 10 30 AFEERN CCc1csc([C@H](C#N)C(C)C)n1 259347493 573153087 /nfs/dbraw/zinc/15/30/87/573153087.db2.gz SVUMAHLXQSCEIJ-SECBINFHSA-N 0 0 194.303 2.969 10 30 AFEERN C=CCC[C@@H](C)OC(=O)CC1CC1 308282590 573153108 /nfs/dbraw/zinc/15/31/08/573153108.db2.gz XQGPMPNDHGCVPI-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN CCc1csc([C@@H](C#N)C(C)C)n1 259347497 573153494 /nfs/dbraw/zinc/15/34/94/573153494.db2.gz SVUMAHLXQSCEIJ-VIFPVBQESA-N 0 0 194.303 2.969 10 30 AFEERN C=C(C)CCOC(=O)C1CCCC1 308284593 573154100 /nfs/dbraw/zinc/15/41/00/573154100.db2.gz ZWTIPDOIVJZBMH-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CC[C@@H](C#N)C(=O)C(C1CC1)C1CC1 308506353 573154493 /nfs/dbraw/zinc/15/44/93/573154493.db2.gz ZBEHJVYTRXLHCB-QMMMGPOBSA-N 0 0 191.274 2.541 10 30 AFEERN O=C[C@@H]1CCC[C@@H]2CCCC[C@H]21 115028850 573154667 /nfs/dbraw/zinc/15/46/67/573154667.db2.gz OCRYDFWDUSNRHP-GARJFASQSA-N 0 0 166.264 2.792 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CCC1CC1 308283952 573155346 /nfs/dbraw/zinc/15/53/46/573155346.db2.gz YAZHPBUIKJAWSZ-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN CC[C@@H]1[C@@H](C)C=C(C)C(=O)[C@@H]1C 238294601 573155418 /nfs/dbraw/zinc/15/54/18/573155418.db2.gz JWZOMIUFQRWSOB-FXBDTBDDSA-N 0 0 166.264 2.814 10 30 AFEERN CCSc1cc(C#N)cc(C#N)c1 238293977 573155449 /nfs/dbraw/zinc/15/54/49/573155449.db2.gz KALBPAAZVVEDBC-UHFFFAOYSA-N 0 0 188.255 2.542 10 30 AFEERN Cc1ccccc1-c1nc(C#N)[nH]c1C 258545268 573155529 /nfs/dbraw/zinc/15/55/29/573155529.db2.gz KDWMDOSKAOLWNR-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CCC1CC1 308283951 573155747 /nfs/dbraw/zinc/15/57/47/573155747.db2.gz YAZHPBUIKJAWSZ-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN CC[C@H](C#N)C(=O)C(C1CC1)C1CC1 308506351 573155808 /nfs/dbraw/zinc/15/58/08/573155808.db2.gz ZBEHJVYTRXLHCB-MRVPVSSYSA-N 0 0 191.274 2.541 10 30 AFEERN c1ncc(N=C2CCCCC2)cn1 89224251 573155901 /nfs/dbraw/zinc/15/59/01/573155901.db2.gz WUTQMOVWIRTIIK-UHFFFAOYSA-N 0 0 175.235 2.513 10 30 AFEERN C(=N/c1cncnc1)\C1CCCCC1 89224237 573155979 /nfs/dbraw/zinc/15/59/79/573155979.db2.gz ZUGANTQXCNKEEA-MKMNVTDBSA-N 0 0 189.262 2.759 10 30 AFEERN Cc1cccc(C(=O)C(C)(C)C#N)c1 258542978 573156246 /nfs/dbraw/zinc/15/62/46/573156246.db2.gz DOVCFAKLUWIZBR-UHFFFAOYSA-N 0 0 187.242 2.728 10 30 AFEERN c1ncc(N=C2CCCCCC2)cn1 89224235 573156276 /nfs/dbraw/zinc/15/62/76/573156276.db2.gz GFYIDSNEADCUJC-UHFFFAOYSA-N 0 0 189.262 2.903 10 30 AFEERN CCSc1nc(C)c(CC#N)s1 259346674 573156313 /nfs/dbraw/zinc/15/63/13/573156313.db2.gz HOFQKYNBPGWISX-UHFFFAOYSA-N 0 0 198.316 2.630 10 30 AFEERN CCSc1cc(C#N)ccc1C 238294088 573156322 /nfs/dbraw/zinc/15/63/22/573156322.db2.gz QZVALFHSZFMPNT-UHFFFAOYSA-N 0 0 177.272 2.979 10 30 AFEERN C=C[C@@H](C)C[N@H+](C)CCC(F)(F)F 308283473 573156380 /nfs/dbraw/zinc/15/63/80/573156380.db2.gz XVLPTSOLVKURGK-MRVPVSSYSA-N 0 0 195.228 2.693 10 30 AFEERN C=C[C@H](C)C[N@H+](C)CCC(F)(F)F 308283474 573156441 /nfs/dbraw/zinc/15/64/41/573156441.db2.gz XVLPTSOLVKURGK-QMMMGPOBSA-N 0 0 195.228 2.693 10 30 AFEERN C#CCONCCCCCCCC 308506815 573156591 /nfs/dbraw/zinc/15/65/91/573156591.db2.gz ZOUWRIHETJBRIN-UHFFFAOYSA-N 0 0 183.295 2.501 10 30 AFEERN CCc1ccc2cnsc2c1C#N 238292975 573156713 /nfs/dbraw/zinc/15/67/13/573156713.db2.gz UTFBUSMPOHHJKT-UHFFFAOYSA-N 0 0 188.255 2.730 10 30 AFEERN Cc1c(F)cccc1[C@@H](C)CC=O 257954074 573156744 /nfs/dbraw/zinc/15/67/44/573156744.db2.gz GAHBUOPSVHJJMZ-QMMMGPOBSA-N 0 0 180.222 2.827 10 30 AFEERN C=CCC[C@@H](C)OC(=O)/C=C/CC 308213826 573156757 /nfs/dbraw/zinc/15/67/57/573156757.db2.gz HWFSWZLTXHDUGR-TTZKWOQHSA-N 0 0 182.263 2.851 10 30 AFEERN Fc1ccccc1NCCCS 258555031 573156759 /nfs/dbraw/zinc/15/67/59/573156759.db2.gz BBNYYTMUQNKTEZ-UHFFFAOYSA-N 0 0 185.267 2.558 10 30 AFEERN C[C@H](NN=CCC(C)(C)C)C(F)F 308281887 573157616 /nfs/dbraw/zinc/15/76/16/573157616.db2.gz XIUHYBMWETYLEN-ZETCQYMHSA-N 0 0 192.253 2.652 10 30 AFEERN CCSc1cc(C#N)ccc1OC 238294280 573157971 /nfs/dbraw/zinc/15/79/71/573157971.db2.gz IARGTUOBRJAMAV-UHFFFAOYSA-N 0 0 193.271 2.679 10 30 AFEERN CC[C@@H](C#N)C1(C2CCCC2)COC1 258554582 573158142 /nfs/dbraw/zinc/15/81/42/573158142.db2.gz LBIXINUILUBREK-JTQLQIEISA-N 0 0 193.290 2.743 10 30 AFEERN CCCN(CC#N)[C@@H]1CCC[C@@H](C)C1 223982521 573158189 /nfs/dbraw/zinc/15/81/89/573158189.db2.gz SEEIDJVVGNDZHM-VXGBXAGGSA-N 0 0 194.322 2.801 10 30 AFEERN C=C1[C@H](CC)[C@H]1C(=O)C(C)(C)C 238294050 573158358 /nfs/dbraw/zinc/15/83/58/573158358.db2.gz DNKXAOZRPYQQAI-IUCAKERBSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@H](C#N)C1(C2CCCC2)COC1 258554583 573158390 /nfs/dbraw/zinc/15/83/90/573158390.db2.gz LBIXINUILUBREK-SNVBAGLBSA-N 0 0 193.290 2.743 10 30 AFEERN CCCCCCCC#CC=O 82185144 573158498 /nfs/dbraw/zinc/15/84/98/573158498.db2.gz YXRCDDHZVUIEAM-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN C=CCCCOC(=O)C(CC)CC 308285144 573158661 /nfs/dbraw/zinc/15/86/61/573158661.db2.gz AQYWACFVQLDYRJ-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN N#C[C@H](C1CCCC1)C(F)(F)F 257954678 573158754 /nfs/dbraw/zinc/15/87/54/573158754.db2.gz WRSBBGNRQRUDJM-SSDOTTSWSA-N 0 0 177.169 2.879 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C(=C\C)CC 308244851 573159002 /nfs/dbraw/zinc/15/90/02/573159002.db2.gz UUXUULUHKSRGHZ-BSKOKIOFSA-N 0 0 182.263 2.851 10 30 AFEERN CC1(C=NNC2CCCC2)CCC1 308285344 573159072 /nfs/dbraw/zinc/15/90/72/573159072.db2.gz DCLINNNWIBXBKB-UHFFFAOYSA-N 0 0 180.295 2.695 10 30 AFEERN CCc1c(CC#N)[nH]c2ccccc12 238293074 573159959 /nfs/dbraw/zinc/15/99/59/573159959.db2.gz JRJKSXREBHJSAY-UHFFFAOYSA-N 0 0 184.242 2.796 10 30 AFEERN CCSc1cc(C#N)ccc1F 238294217 573159683 /nfs/dbraw/zinc/15/96/83/573159683.db2.gz XMZSTQQPAKAWTN-UHFFFAOYSA-N 0 0 181.235 2.809 10 30 AFEERN CC(C)(C)Cc1nc(CC#N)cs1 82675116 573159688 /nfs/dbraw/zinc/15/96/88/573159688.db2.gz IOLIFIWGTYJWJV-UHFFFAOYSA-N 0 0 194.303 2.798 10 30 AFEERN N#C[C@@H](C1CCCC1)C(F)(F)F 257954679 573159697 /nfs/dbraw/zinc/15/96/97/573159697.db2.gz WRSBBGNRQRUDJM-ZETCQYMHSA-N 0 0 177.169 2.879 10 30 AFEERN Cc1cccc2[nH]cc(CS)c12 257954596 573159902 /nfs/dbraw/zinc/15/99/02/573159902.db2.gz XLYRDHBNVOXKOW-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN Cc1cccc([C@@H](C#N)c2cc[nH]c2)c1 259350628 573160526 /nfs/dbraw/zinc/16/05/26/573160526.db2.gz ZPZXBWSCXKRCBY-CYBMUJFWSA-N 0 0 196.253 2.979 10 30 AFEERN COc1ccc2c(C#N)csc2c1 259984298 573160567 /nfs/dbraw/zinc/16/05/67/573160567.db2.gz JOFMSQFUQZQHDA-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN CCc1cccc(C2(C#N)CC2)c1 238294698 573160654 /nfs/dbraw/zinc/16/06/54/573160654.db2.gz ONXGDXKAETWLMN-UHFFFAOYSA-N 0 0 171.243 2.804 10 30 AFEERN SCc1ccc2c(c1)NCCS2 259350720 573160721 /nfs/dbraw/zinc/16/07/21/573160721.db2.gz YRQODDBHLCZHGY-UHFFFAOYSA-N 0 0 197.328 2.634 10 30 AFEERN O=CCCc1ccc(Cl)cc1F 82703646 573160731 /nfs/dbraw/zinc/16/07/31/573160731.db2.gz VOFJKSGJOUUMGR-UHFFFAOYSA-N 0 0 186.613 2.611 10 30 AFEERN CCc1cccc(C2(C#N)CC2)c1O 238294715 573160947 /nfs/dbraw/zinc/16/09/47/573160947.db2.gz VDVDQYXXHXRIPN-UHFFFAOYSA-N 0 0 187.242 2.510 10 30 AFEERN N#CC1(c2nccc3occc23)CCC1 308786350 573161294 /nfs/dbraw/zinc/16/12/94/573161294.db2.gz BGTDGMAAKPKLCY-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN C#CCC[C@H](O)c1cc(C)cc(C)c1 82677825 573162038 /nfs/dbraw/zinc/16/20/38/573162038.db2.gz BEVWWZKNQWLXFK-ZDUSSCGKSA-N 0 0 188.270 2.750 10 30 AFEERN Cc1ccc2c(N)c(C#N)sc2c1 259959512 573162190 /nfs/dbraw/zinc/16/21/90/573162190.db2.gz JGSUFUYGMIYDPW-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CCC(CC)NN=CC1CCCC1 308507314 573162427 /nfs/dbraw/zinc/16/24/27/573162427.db2.gz ZXBKCQPHLPBTMK-UHFFFAOYSA-N 0 0 182.311 2.941 10 30 AFEERN Oc1ccc2oc(CS)cc2c1 257958851 573162503 /nfs/dbraw/zinc/16/25/03/573162503.db2.gz HPNSWJXFAHYEKE-UHFFFAOYSA-N 0 0 180.228 2.568 10 30 AFEERN Cc1cccc([C@H](C#N)c2cc[nH]c2)c1 259350631 573162526 /nfs/dbraw/zinc/16/25/26/573162526.db2.gz ZPZXBWSCXKRCBY-ZDUSSCGKSA-N 0 0 196.253 2.979 10 30 AFEERN CC[C@@H]1[C@H](C)C=C(C)C(=O)[C@@H]1C 238297436 573162931 /nfs/dbraw/zinc/16/29/31/573162931.db2.gz JWZOMIUFQRWSOB-SZEHBUNVSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1[C@@H](C(=O)C(C)(C)C)[C@H]1CC 238296983 573163182 /nfs/dbraw/zinc/16/31/82/573163182.db2.gz DNKXAOZRPYQQAI-DTWKUNHWSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(CCC=O)c1ccc(F)c(F)c1 238624267 573163227 /nfs/dbraw/zinc/16/32/27/573163227.db2.gz RLZSKKFHFGEIRA-UHFFFAOYSA-N 0 0 196.196 2.957 10 30 AFEERN CC[C@H](CC#N)C(C)(C)F 258482363 573163629 /nfs/dbraw/zinc/16/36/29/573163629.db2.gz JHSDGXKTYFQWKL-SSDOTTSWSA-N 0 0 143.205 2.674 10 30 AFEERN C=C(C)[C@@H](CC)NC(=O)OC(C)(C)C 238296381 573164160 /nfs/dbraw/zinc/16/41/60/573164160.db2.gz JYJVRDPMFMLVEG-SECBINFHSA-N 0 0 199.294 2.866 10 30 AFEERN C=C(C)CNN=C[C@H](C)C(C)(C)C 388685078 573164538 /nfs/dbraw/zinc/16/45/38/573164538.db2.gz JONCPNUNPMLHKZ-JTQLQIEISA-N 0 0 182.311 2.820 10 30 AFEERN CC(C)(C#N)c1cc(F)c(F)c(F)c1 115098382 573164580 /nfs/dbraw/zinc/16/45/80/573164580.db2.gz VPZUFHCWDBIOBQ-UHFFFAOYSA-N 0 0 199.175 2.905 10 30 AFEERN C[C@H](C1CCCCC1)[C@H](O)CCC=O 308511342 573164611 /nfs/dbraw/zinc/16/46/11/573164611.db2.gz JQWGAIPLJLXLOO-ZYHUDNBSSA-N 0 0 198.306 2.543 10 30 AFEERN Cc1ccsc1C(=O)C(C)(C)C#N 259350242 573164636 /nfs/dbraw/zinc/16/46/36/573164636.db2.gz ZVVAQDJRANPBLW-UHFFFAOYSA-N 0 0 193.271 2.789 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)[C@@H](C)C(C)C 308290412 573164826 /nfs/dbraw/zinc/16/48/26/573164826.db2.gz HAUYFYDJWOXJRL-GARJFASQSA-N 0 0 183.295 2.579 10 30 AFEERN C=CCC(=O)c1cc(CC)ccc1N 308512178 573164945 /nfs/dbraw/zinc/16/49/45/573164945.db2.gz SNXYETBJZYPEED-UHFFFAOYSA-N 0 0 189.258 2.590 10 30 AFEERN CCN[C@@H](C#N)[C@@H](C)C1CCCCC1 308512932 573165035 /nfs/dbraw/zinc/16/50/35/573165035.db2.gz LDMAADDSGFHKMS-JQWIXIFHSA-N 0 0 194.322 2.704 10 30 AFEERN C=CCOC(=O)[C@H]1CCC(C)(C)C1 308289408 573165297 /nfs/dbraw/zinc/16/52/97/573165297.db2.gz GELCFWCJQUJOQL-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@H](C)CC 308289066 573165611 /nfs/dbraw/zinc/16/56/11/573165611.db2.gz FZJAQBRBPGOSPQ-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](CC)CCC(C)=O 238297866 573165622 /nfs/dbraw/zinc/16/56/22/573165622.db2.gz GZCMWQJCQRUWIJ-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCCCC(=O)O[C@@]1(C)C[C@H]1C 308289764 573165770 /nfs/dbraw/zinc/16/57/70/573165770.db2.gz GKTCGDCVADFEBS-KOLCDFICSA-N 0 0 182.263 2.684 10 30 AFEERN CCSc1cc(F)ccc1C#N 238296547 573165936 /nfs/dbraw/zinc/16/59/36/573165936.db2.gz UUCMHXJENMSSAD-UHFFFAOYSA-N 0 0 181.235 2.809 10 30 AFEERN C=C(C)CC(=O)[C@@](C)(CC)OCC 159343956 573165875 /nfs/dbraw/zinc/16/58/75/573165875.db2.gz YKMOKLRKMSTHOD-LLVKDONJSA-N 0 0 184.279 2.727 10 30 AFEERN C[C@@H](C1CCCCC1)[C@@H](O)CCC=O 308511340 573166306 /nfs/dbraw/zinc/16/63/06/573166306.db2.gz JQWGAIPLJLXLOO-JQWIXIFHSA-N 0 0 198.306 2.543 10 30 AFEERN C[C@H](C1CCCCC1)[C@@H](O)CCC=O 308511341 573166042 /nfs/dbraw/zinc/16/60/42/573166042.db2.gz JQWGAIPLJLXLOO-PWSUYJOCSA-N 0 0 198.306 2.543 10 30 AFEERN CCC1(CC)CN([C@@](C)(C#N)CC)C1 308300288 573166055 /nfs/dbraw/zinc/16/60/55/573166055.db2.gz MPJQXJYRHRCTIV-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN C=C(CC)COC(=O)CCC(F)F 308299823 573166130 /nfs/dbraw/zinc/16/61/30/573166130.db2.gz LGLYMQUBGYLAAI-UHFFFAOYSA-N 0 0 192.205 2.541 10 30 AFEERN CC1CCC(C#N)(CCCCO)CC1 308511116 573166166 /nfs/dbraw/zinc/16/61/66/573166166.db2.gz CDHNCEWNDRMHHR-UHFFFAOYSA-N 0 0 195.306 2.869 10 30 AFEERN CCN[C@@H](C#N)[C@H](C)C1CCCCC1 308512935 573166193 /nfs/dbraw/zinc/16/61/93/573166193.db2.gz LDMAADDSGFHKMS-PWSUYJOCSA-N 0 0 194.322 2.704 10 30 AFEERN C=C(C)CC[C@H](C=O)CC 238297798 573166275 /nfs/dbraw/zinc/16/62/75/573166275.db2.gz QXBORFRLJCTFDY-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN CC#CCC(=O)C(CC)(CC)OCC 159349278 573167339 /nfs/dbraw/zinc/16/73/39/573167339.db2.gz SGVCGMMTFLPYSB-UHFFFAOYSA-N 0 0 196.290 2.564 10 30 AFEERN Cc1cc(N)c2ccsc2c1C#N 306552821 573166939 /nfs/dbraw/zinc/16/69/39/573166939.db2.gz DKZFTOBGDVTFDO-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN Cc1cccc2sc(C#N)c(N)c12 260059148 573167065 /nfs/dbraw/zinc/16/70/65/573167065.db2.gz PIFAQGJGJJHUGV-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=C(CCC=O)c1ccc(F)cc1 238624231 573167138 /nfs/dbraw/zinc/16/71/38/573167138.db2.gz VUHKUOAJNLIPMM-UHFFFAOYSA-N 0 0 178.206 2.818 10 30 AFEERN C#CCCC(=O)C(CC)(CC)OCC 159353009 573167236 /nfs/dbraw/zinc/16/72/36/573167236.db2.gz VQPLMDDHGSAOHW-UHFFFAOYSA-N 0 0 196.290 2.564 10 30 AFEERN CCc1cccc(SC)c1C#N 238302928 573167783 /nfs/dbraw/zinc/16/77/83/573167783.db2.gz IDQXJDFLTMLYFC-UHFFFAOYSA-N 0 0 177.272 2.843 10 30 AFEERN CCSc1cccc(CC#N)c1O 238303664 573167864 /nfs/dbraw/zinc/16/78/64/573167864.db2.gz JNBDPGGYLONDEL-UHFFFAOYSA-N 0 0 193.271 2.570 10 30 AFEERN CCC(C)(C)CN(CC#N)C(C)C 308285963 573167891 /nfs/dbraw/zinc/16/78/91/573167891.db2.gz DKXHFQCUFZVSDS-UHFFFAOYSA-N 0 0 182.311 2.657 10 30 AFEERN C=CCCCC(=O)O[C@]1(C)C[C@H]1C 308289765 573167926 /nfs/dbraw/zinc/16/79/26/573167926.db2.gz GKTCGDCVADFEBS-MWLCHTKSSA-N 0 0 182.263 2.684 10 30 AFEERN CC[C@]1(C)C=COC2=C1C(=O)CC2 238303080 573167932 /nfs/dbraw/zinc/16/79/32/573167932.db2.gz FBENAYHFDAKWQX-LLVKDONJSA-N 0 0 178.231 2.564 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@@H](C)CC 308289068 573167956 /nfs/dbraw/zinc/16/79/56/573167956.db2.gz FZJAQBRBPGOSPQ-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN CC[C@@H]1CCC(=O)C(C)=C1C 238303086 573168387 /nfs/dbraw/zinc/16/83/87/573168387.db2.gz VEHHHPIQLGQZMH-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN CCN[C@H](C#N)[C@H](C)C1CCCCC1 308512937 573168601 /nfs/dbraw/zinc/16/86/01/573168601.db2.gz LDMAADDSGFHKMS-ZYHUDNBSSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@@H](C1CCCCC1)[C@H](O)CCC=O 308511339 573168687 /nfs/dbraw/zinc/16/86/87/573168687.db2.gz JQWGAIPLJLXLOO-CMPLNLGQSA-N 0 0 198.306 2.543 10 30 AFEERN Cc1ccc(C(C)(C)C)c(O)c1C#N 257958206 573169933 /nfs/dbraw/zinc/16/99/33/573169933.db2.gz BPDCVRXKWGKFKO-UHFFFAOYSA-N 0 0 189.258 2.870 10 30 AFEERN COc1ccc(F)cc1[C@H](C)S 259351525 573169057 /nfs/dbraw/zinc/16/90/57/573169057.db2.gz UDVVXPQSRAQQGF-LURJTMIESA-N 0 0 186.251 2.825 10 30 AFEERN CCC(=NN[C@@H](C)C(F)F)C(C)C 308290128 573169198 /nfs/dbraw/zinc/16/91/98/573169198.db2.gz GPLIICJXIBDUMV-ZETCQYMHSA-N 0 0 192.253 2.652 10 30 AFEERN CC[C@@H](C#N)c1ccc2[nH]c(C)nc2c1 258562909 573169218 /nfs/dbraw/zinc/16/92/18/573169218.db2.gz JFNVDEQJPAQDTQ-VIFPVBQESA-N 0 0 199.257 2.889 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@@H](C)CC 308289067 573169248 /nfs/dbraw/zinc/16/92/48/573169248.db2.gz FZJAQBRBPGOSPQ-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN CC[C@@]1(C)CC(=O)C=C(C)C1 238303442 573169646 /nfs/dbraw/zinc/16/96/46/573169646.db2.gz MFTSLYOQPWJTLQ-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(CC)COC(=O)/C=C/C=C/C 308291385 573169818 /nfs/dbraw/zinc/16/98/18/573169818.db2.gz HGJBEXAMGOKKJE-GFGVWQOPSA-N 0 0 180.247 2.628 10 30 AFEERN CCCCCCCOC 85834744 573169839 /nfs/dbraw/zinc/16/98/39/573169839.db2.gz GTQXEQRIVGXSAE-UHFFFAOYSA-N 0 0 130.231 2.603 10 30 AFEERN COc1ccc(F)cc1[C@@H](C)S 259351529 573170112 /nfs/dbraw/zinc/17/01/12/573170112.db2.gz UDVVXPQSRAQQGF-ZCFIWIBFSA-N 0 0 186.251 2.825 10 30 AFEERN CC[C@@H](CC#N)C(C)(C)F 258482387 573170143 /nfs/dbraw/zinc/17/01/43/573170143.db2.gz JHSDGXKTYFQWKL-ZETCQYMHSA-N 0 0 143.205 2.674 10 30 AFEERN C=C(C)C(=O)C(CC)(CC)OCC 159350990 573170030 /nfs/dbraw/zinc/17/00/30/573170030.db2.gz JXWMWTGOSRTLSD-UHFFFAOYSA-N 0 0 184.279 2.727 10 30 AFEERN CC[C@H](C#N)c1ccc2[nH]c(C)nc2c1 258562906 573170229 /nfs/dbraw/zinc/17/02/29/573170229.db2.gz JFNVDEQJPAQDTQ-SECBINFHSA-N 0 0 199.257 2.889 10 30 AFEERN CC[C@]1(C)C=CC(=O)C[C@H]1C 238303070 573170387 /nfs/dbraw/zinc/17/03/87/573170387.db2.gz YEBGWOFRGKPUHE-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)COC(=O)[C@H]1C[C@]1(C)CC 308291719 573170502 /nfs/dbraw/zinc/17/05/02/573170502.db2.gz HOXDERQTNISCHB-KOLCDFICSA-N 0 0 182.263 2.542 10 30 AFEERN C=C(C1=CCCCC1)[C@@H](O)CC 238303167 573170549 /nfs/dbraw/zinc/17/05/49/573170549.db2.gz ULXPTAIGJDQFRM-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN CCON=C(C)c1ccc(C)cc1 308292139 573170628 /nfs/dbraw/zinc/17/06/28/573170628.db2.gz FSKRWZOMQOTBLN-UHFFFAOYSA-N 0 0 177.247 2.756 10 30 AFEERN Cc1cc(F)c(N[C@@H](C)C#N)cc1F 235516873 573170653 /nfs/dbraw/zinc/17/06/53/573170653.db2.gz OZMRPGHJCYNLSE-ZETCQYMHSA-N 0 0 196.200 2.597 10 30 AFEERN C=C(C)COC(=O)[C@@H]1C[C@@]1(C)CC 308291717 573170961 /nfs/dbraw/zinc/17/09/61/573170961.db2.gz HOXDERQTNISCHB-GXSJLCMTSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCCCOC(=O)C(C)(C)CC 308290492 573171079 /nfs/dbraw/zinc/17/10/79/573171079.db2.gz GUGHDSJZISVRMI-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN CC[C@H](C)CN=Nc1cccnc1 308291728 573171175 /nfs/dbraw/zinc/17/11/75/573171175.db2.gz HPACBHXIKWKUPB-VIFPVBQESA-N 0 0 177.251 2.525 10 30 AFEERN CC(C)c1csc(CCC#N)n1 259354863 573171307 /nfs/dbraw/zinc/17/13/07/573171307.db2.gz UIYPIWLJISTOCQ-UHFFFAOYSA-N 0 0 180.276 2.723 10 30 AFEERN C=CCCC(CC)=NNCC(=C)C 308291699 573171416 /nfs/dbraw/zinc/17/14/16/573171416.db2.gz HNVGHRRNCPFADK-UHFFFAOYSA-N 0 0 180.295 2.884 10 30 AFEERN CC(=NO)[C@@H]1CC2CCC1CC2 394267084 573172583 /nfs/dbraw/zinc/17/25/83/573172583.db2.gz RJEDYKXVOWITAZ-RTBKNWGFSA-N 0 0 167.252 2.663 10 30 AFEERN CC[C@@H](C)CN=Nc1cccnc1 308291727 573171507 /nfs/dbraw/zinc/17/15/07/573171507.db2.gz HPACBHXIKWKUPB-SECBINFHSA-N 0 0 177.251 2.525 10 30 AFEERN C=C(C)COC(=O)[C@H]1C[C@@]1(C)CC 308291720 573171574 /nfs/dbraw/zinc/17/15/74/573171574.db2.gz HOXDERQTNISCHB-MWLCHTKSSA-N 0 0 182.263 2.542 10 30 AFEERN CCC1CC[C@@H](CC)C(=O)C1=O 238303636 573171851 /nfs/dbraw/zinc/17/18/51/573171851.db2.gz ZWJJSFMMCBQYNQ-SSDOTTSWSA-N 0 0 168.236 2.598 10 30 AFEERN C=C[C@H](C)[C@H](C)C(=O)OC/C=C\C 308291686 573171974 /nfs/dbraw/zinc/17/19/74/573171974.db2.gz HMVKSKZKAGWVGW-XTKVZWQSSA-N 0 0 182.263 2.564 10 30 AFEERN C=C(C)c1ccc2c(c1)OCCN2C 238303380 573172211 /nfs/dbraw/zinc/17/22/11/573172211.db2.gz LZUPDPGXZNNAQP-UHFFFAOYSA-N 0 0 189.258 2.548 10 30 AFEERN C=C[C@@H](C)OC(=O)CC(C)(C)CC 308290705 573172216 /nfs/dbraw/zinc/17/22/16/573172216.db2.gz GVLNMLVAVIQHGX-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN CC[C@]1(C)CC(C(C)C)=CC1=O 238303409 573172244 /nfs/dbraw/zinc/17/22/44/573172244.db2.gz RMSJWDAKWMIWKU-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)[C@@H](C)C(C)C 308290514 573172353 /nfs/dbraw/zinc/17/23/53/573172353.db2.gz HAUYFYDJWOXJRL-HBNTYKKESA-N 0 0 183.295 2.579 10 30 AFEERN CCC(C)(C)C=NN[C@@H](C)C(F)F 308290750 573172427 /nfs/dbraw/zinc/17/24/27/573172427.db2.gz GWYCFYIHUBEYSQ-ZETCQYMHSA-N 0 0 192.253 2.652 10 30 AFEERN C=CCCOC(=O)/C(C)=C(\C)CC 308291019 573172537 /nfs/dbraw/zinc/17/25/37/573172537.db2.gz HBYUUBZTFGTNOW-MDZDMXLPSA-N 0 0 182.263 2.852 10 30 AFEERN Cc1ccccc1-c1c[nH]c(C#N)c1 259353788 573172553 /nfs/dbraw/zinc/17/25/53/573172553.db2.gz YXBZIHVMNHQBLI-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN C=C[C@H](C)[C@@H](C)C(=O)OC/C=C\C 308291687 573172603 /nfs/dbraw/zinc/17/26/03/573172603.db2.gz HMVKSKZKAGWVGW-ZBOIFRAGSA-N 0 0 182.263 2.564 10 30 AFEERN C=CCCCOCCCCC(C)=O 85867371 573172741 /nfs/dbraw/zinc/17/27/41/573172741.db2.gz SWNARSQQZQAFHB-UHFFFAOYSA-N 0 0 184.279 2.729 10 30 AFEERN CCc1cc(C#N)c2sncc2c1 238304668 573172751 /nfs/dbraw/zinc/17/27/51/573172751.db2.gz OZTUNRQVQZYCKT-UHFFFAOYSA-N 0 0 188.255 2.730 10 30 AFEERN C=C(CC)COC(=O)/C=C/C=C\C 308291386 573173218 /nfs/dbraw/zinc/17/32/18/573173218.db2.gz HGJBEXAMGOKKJE-IQTBQJLQSA-N 0 0 180.247 2.628 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)[C@H](C)C(C)C 308290515 573173291 /nfs/dbraw/zinc/17/32/91/573173291.db2.gz HAUYFYDJWOXJRL-OUAUKWLOSA-N 0 0 183.295 2.579 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)[C@H](C)C(C)C 308290513 573173309 /nfs/dbraw/zinc/17/33/09/573173309.db2.gz HAUYFYDJWOXJRL-GMTAPVOTSA-N 0 0 183.295 2.579 10 30 AFEERN CC(=O)C(=O)Cc1cccc(Cl)c1 258566790 573173340 /nfs/dbraw/zinc/17/33/40/573173340.db2.gz KRHOSHDEAMMNIH-POHAHGRESA-N 0 0 196.633 2.828 10 30 AFEERN CSCCON=C1CCC12CCC2 308292009 573173454 /nfs/dbraw/zinc/17/34/54/573173454.db2.gz FNUAUQJWXAZURY-UHFFFAOYSA-N 0 0 199.319 2.686 10 30 AFEERN CCOC1(C(=O)C=C(C)C)CCCC1 159379372 573173690 /nfs/dbraw/zinc/17/36/90/573173690.db2.gz FVAFQUBOYQKSII-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN CC[C@H](O)C(C)(C)C#C[Si](C)(C)C 238304282 573173857 /nfs/dbraw/zinc/17/38/57/573173857.db2.gz BNEXEGVDQZJDQC-JTQLQIEISA-N 0 0 198.382 2.664 10 30 AFEERN C=C[C@H](C)OC(=O)CC(C)(C)CC 308290706 573173954 /nfs/dbraw/zinc/17/39/54/573173954.db2.gz GVLNMLVAVIQHGX-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN CC1(C=NNCC2CCCC2)CC1 308291642 573173995 /nfs/dbraw/zinc/17/39/95/573173995.db2.gz HLEBWYKLSKHBJO-UHFFFAOYSA-N 0 0 180.295 2.552 10 30 AFEERN C/C=C/CCC(C)(C)C=O 115280742 573174098 /nfs/dbraw/zinc/17/40/98/573174098.db2.gz KGOQHCDPEGGLAR-SNAWJCMRSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCCOC(=O)/C(C)=C(/C)CC 308291018 573174309 /nfs/dbraw/zinc/17/43/09/573174309.db2.gz HBYUUBZTFGTNOW-KTKRTIGZSA-N 0 0 182.263 2.852 10 30 AFEERN C=C(C)CC(=O)C1(OCC)CCCC1 159383431 573174398 /nfs/dbraw/zinc/17/43/98/573174398.db2.gz OXZGPNKZZNNKDC-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN N#CCCC(=O)c1coc2ccccc12 259355677 573174424 /nfs/dbraw/zinc/17/44/24/573174424.db2.gz PVMKZUUFCWNFHT-UHFFFAOYSA-N 0 0 199.209 2.919 10 30 AFEERN CC#CCCC(=O)C(CC)(CC)OC 159362672 573174794 /nfs/dbraw/zinc/17/47/94/573174794.db2.gz OSKHNDSQIIXTHX-UHFFFAOYSA-N 0 0 196.290 2.564 10 30 AFEERN CC[C@]1(C)C[C@@H](C)C(C)=CC1=O 238304953 573175390 /nfs/dbraw/zinc/17/53/90/573175390.db2.gz HZOUATMPLMZGDE-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN CCn1cnc2cc(N=[N+]=[N-])ccc21 238304158 573175118 /nfs/dbraw/zinc/17/51/18/573175118.db2.gz DXRLLGGVELACRE-UHFFFAOYSA-N 0 0 187.206 2.998 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@]1(C)CC 308293458 573175220 /nfs/dbraw/zinc/17/52/20/573175220.db2.gz ISCLPOVHCUJGPO-QXEWZRGKSA-N 0 0 182.263 2.540 10 30 AFEERN C=CCCC(=O)C(CC)(CC)OC 159358445 573175688 /nfs/dbraw/zinc/17/56/88/573175688.db2.gz LIRHBPFWWLLHEC-UHFFFAOYSA-N 0 0 184.279 2.727 10 30 AFEERN C=CCCC(=O)C1(OCC)CCCC1 159374279 573175832 /nfs/dbraw/zinc/17/58/32/573175832.db2.gz RKKWVJDRVFBWLE-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN C=C(C)CC(=O)NC(C)(CC)CC 308292330 573175919 /nfs/dbraw/zinc/17/59/19/573175919.db2.gz HVFNMORQEHGZOV-UHFFFAOYSA-N 0 0 183.295 2.648 10 30 AFEERN Cc1ccc(Nn2cccc2)c(C#N)c1 235888872 573176064 /nfs/dbraw/zinc/17/60/64/573176064.db2.gz ALRUQASLUHVDED-UHFFFAOYSA-N 0 0 197.241 2.543 10 30 AFEERN C#CCCCC(=O)C(CC)(CC)OC 159360121 573176092 /nfs/dbraw/zinc/17/60/92/573176092.db2.gz IZWYCIUQEKAXBZ-UHFFFAOYSA-N 0 0 196.290 2.564 10 30 AFEERN C=C1C(=C)C(C)(C)C(O)C1(C)C 197162392 573177305 /nfs/dbraw/zinc/17/73/05/573177305.db2.gz ZKWKXPRSTYTPJV-UHFFFAOYSA-N 0 0 166.264 2.526 10 30 AFEERN Cc1cc(CC2(C#N)CC2)ccc1F 259353144 573176116 /nfs/dbraw/zinc/17/61/16/573176116.db2.gz ZRHQFGZGYOBGCS-UHFFFAOYSA-N 0 0 189.233 2.980 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@@]1(C)CC 308293453 573176323 /nfs/dbraw/zinc/17/63/23/573176323.db2.gz ISCLPOVHCUJGPO-ATZCPNFKSA-N 0 0 182.263 2.540 10 30 AFEERN Cc1cccc([C@H](F)CC=O)c1 258565482 573176450 /nfs/dbraw/zinc/17/64/50/573176450.db2.gz RCJNEHCRSMXTGN-SNVBAGLBSA-N 0 0 166.195 2.595 10 30 AFEERN CC[C@@H]1CCC/C=C/C(=O)C1 238304710 573177325 /nfs/dbraw/zinc/17/73/25/573177325.db2.gz GQWGLPKDGYGOMK-VPIOIWJLSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCCCOCC1(CC#N)CC1 85867266 573176640 /nfs/dbraw/zinc/17/66/40/573176640.db2.gz ITLOIQPFOHTBKF-UHFFFAOYSA-N 0 0 179.263 2.663 10 30 AFEERN COc1ccc(C)c([C@H](C)CC=O)c1 257960329 573176742 /nfs/dbraw/zinc/17/67/42/573176742.db2.gz BRPFLBWYWXNJQP-SNVBAGLBSA-N 0 0 192.258 2.696 10 30 AFEERN CC[C@]1(C)C[C@@H](C)C(=O)C=C1C 238304923 573176787 /nfs/dbraw/zinc/17/67/87/573176787.db2.gz ITVJRAIFSCRDFF-LDYMZIIASA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H]1C=C(C(C)=O)CCC1 238304880 573177259 /nfs/dbraw/zinc/17/72/59/573177259.db2.gz IRGWCIMKVASBSY-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)c1cccc(SCC#N)c1 82761350 573177087 /nfs/dbraw/zinc/17/70/87/573177087.db2.gz JQISPRRCSNVMOO-UHFFFAOYSA-N 0 0 191.255 2.505 10 30 AFEERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)CC#N 85877336 573177437 /nfs/dbraw/zinc/17/74/37/573177437.db2.gz YHATYPYCYDEAAB-UTUOFQBUSA-N 0 0 195.306 2.723 10 30 AFEERN CC(=O)/C=C\c1cccc(C)c1C 217396280 573177462 /nfs/dbraw/zinc/17/74/62/573177462.db2.gz QQVPXVAMJCHTRS-FPLPWBNLSA-N 0 0 174.243 2.906 10 30 AFEERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CC#N 85877346 573177487 /nfs/dbraw/zinc/17/74/87/573177487.db2.gz YHATYPYCYDEAAB-WOPDTQHZSA-N 0 0 195.306 2.723 10 30 AFEERN C=C(C[C@@H](O)CC)[Si](C)(C)C 238305932 573181338 /nfs/dbraw/zinc/18/13/38/573181338.db2.gz WQRQNRLAXGNECD-VIFPVBQESA-N 0 0 172.344 2.581 10 30 AFEERN CCC(Cc1ccccc1)=NOC 308292686 573177883 /nfs/dbraw/zinc/17/78/83/573177883.db2.gz IDRPEXGANXLECB-UHFFFAOYSA-N 0 0 177.247 2.642 10 30 AFEERN Cc1cccc(C[C@H](C)C=O)c1C 82762713 573177886 /nfs/dbraw/zinc/17/78/86/573177886.db2.gz LGQPWXYGVAYUEA-VIFPVBQESA-N 0 0 176.259 2.681 10 30 AFEERN Cc1cc(C)c([C@@H](O)CC#N)c(C)c1 85878460 573177906 /nfs/dbraw/zinc/17/79/06/573177906.db2.gz ZWXGMEMPOVGEOM-NSHDSACASA-N 0 0 189.258 2.559 10 30 AFEERN N#CCCCCc1ccco1 197169891 573178162 /nfs/dbraw/zinc/17/81/62/573178162.db2.gz GSWHXSFDUHNZJT-UHFFFAOYSA-N 0 0 149.193 2.516 10 30 AFEERN C=CCC(C)(C)CNc1ncns1 308293427 573178206 /nfs/dbraw/zinc/17/82/06/573178206.db2.gz OWSTWLTUSHDLCW-UHFFFAOYSA-N 0 0 197.307 2.552 10 30 AFEERN CC(C)[C@@H]1CCC[C@](O)(CC#N)CC1 85879525 573178332 /nfs/dbraw/zinc/17/83/32/573178332.db2.gz UGTSTIVBAOZIRT-VXGBXAGGSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@]1(C)C[C@H](C)C(C)=CC1=O 238305465 573178389 /nfs/dbraw/zinc/17/83/89/573178389.db2.gz HZOUATMPLMZGDE-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN C#CCC[C@H](CC)OC(=O)CCC 308293803 573178500 /nfs/dbraw/zinc/17/85/00/573178500.db2.gz IZORJIXCLZFIOU-JTQLQIEISA-N 0 0 182.263 2.522 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1C[C@@]1(C)CC 308293455 573178599 /nfs/dbraw/zinc/17/85/99/573178599.db2.gz ISCLPOVHCUJGPO-IQJOONFLSA-N 0 0 182.263 2.540 10 30 AFEERN CCCC1CCC(O)(CC#N)CC1 85877387 573178828 /nfs/dbraw/zinc/17/88/28/573178828.db2.gz FBOWRCGXPKUMHM-UHFFFAOYSA-N 0 0 181.279 2.621 10 30 AFEERN CC(C)(C)[C@@H]1CCCC[C@]1(O)CC#N 85877454 573179175 /nfs/dbraw/zinc/17/91/75/573179175.db2.gz MYSYPZHJBLHQJW-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN COc1ccc(C)c([C@@H](C)CC=O)c1 257960328 573179333 /nfs/dbraw/zinc/17/93/33/573179333.db2.gz BRPFLBWYWXNJQP-JTQLQIEISA-N 0 0 192.258 2.696 10 30 AFEERN Cc1cccc(C[C@@H](C)C=O)c1C 82762712 573179446 /nfs/dbraw/zinc/17/94/46/573179446.db2.gz LGQPWXYGVAYUEA-SECBINFHSA-N 0 0 176.259 2.681 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1C[C@]1(C)CC 308293457 573179512 /nfs/dbraw/zinc/17/95/12/573179512.db2.gz ISCLPOVHCUJGPO-NGZCFLSTSA-N 0 0 182.263 2.540 10 30 AFEERN CC[C@@H]1CCC[C@@](O)(CC#N)CC1 85879498 573179745 /nfs/dbraw/zinc/17/97/45/573179745.db2.gz KBUWYJVAIRQLSM-MNOVXSKESA-N 0 0 181.279 2.621 10 30 AFEERN CC(C)(C)[C@H]1CCCC[C@@]1(O)CC#N 85877467 573179885 /nfs/dbraw/zinc/17/98/85/573179885.db2.gz MYSYPZHJBLHQJW-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN CC1(C)CCC[C@@](O)(CC#N)CC1 85879506 573179891 /nfs/dbraw/zinc/17/98/91/573179891.db2.gz XYRAOHIUPKZUNT-NSHDSACASA-N 0 0 181.279 2.621 10 30 AFEERN C#CCC[C@@H](CC)OC(=O)CCC 308293804 573180008 /nfs/dbraw/zinc/18/00/08/573180008.db2.gz IZORJIXCLZFIOU-SNVBAGLBSA-N 0 0 182.263 2.522 10 30 AFEERN CSc1cc(F)ccc1CCC=O 115344412 573180116 /nfs/dbraw/zinc/18/01/16/573180116.db2.gz GCEWHSNVFKLOBM-UHFFFAOYSA-N 0 0 198.262 2.679 10 30 AFEERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)CC#N 85877466 573180188 /nfs/dbraw/zinc/18/01/88/573180188.db2.gz MYSYPZHJBLHQJW-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)(C)[C@H]1CCCC[C@]1(O)CC#N 85877459 573180325 /nfs/dbraw/zinc/18/03/25/573180325.db2.gz MYSYPZHJBLHQJW-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H](C=O)CCc1cccs1 82762835 573180447 /nfs/dbraw/zinc/18/04/47/573180447.db2.gz HSXLRVWELLSWMO-MRVPVSSYSA-N 0 0 168.261 2.516 10 30 AFEERN CC(C)c1ccc([C@@H](O)CC#N)cc1 85878395 573180452 /nfs/dbraw/zinc/18/04/52/573180452.db2.gz UGKNKHFHUHDZOO-LBPRGKRZSA-N 0 0 189.258 2.757 10 30 AFEERN Cc1ccc([C@H](O)CS)c(C)c1C 259358246 573180465 /nfs/dbraw/zinc/18/04/65/573180465.db2.gz WGUXSRYNTBCIJA-LLVKDONJSA-N 0 0 196.315 2.575 10 30 AFEERN CC1(C)CCC[C@](O)(CC#N)CC1 85879505 573180819 /nfs/dbraw/zinc/18/08/19/573180819.db2.gz XYRAOHIUPKZUNT-LLVKDONJSA-N 0 0 181.279 2.621 10 30 AFEERN CCOc1ccccc1C(C)(C)C#N 238305422 573180619 /nfs/dbraw/zinc/18/06/19/573180619.db2.gz LMOQMUQWXTUHKS-UHFFFAOYSA-N 0 0 189.258 2.886 10 30 AFEERN C=CC#CC1=C(C)[C@H](O)CCC1(C)C 222645173 573180861 /nfs/dbraw/zinc/18/08/61/573180861.db2.gz NPVDRVYORHBLMN-GFCCVEGCSA-N 0 0 190.286 2.673 10 30 AFEERN CCON=C(C)c1sccc1OC 308294746 573180914 /nfs/dbraw/zinc/18/09/14/573180914.db2.gz HIZWKUYQSGMMIM-UHFFFAOYSA-N 0 0 199.275 2.517 10 30 AFEERN CC[C@H](C)C#Cc1ccccc1C=O 238305278 573181027 /nfs/dbraw/zinc/18/10/27/573181027.db2.gz LWLYIBHKAMECJD-NSHDSACASA-N 0 0 186.254 2.897 10 30 AFEERN C=CCCCC[C@@H](C)C=O 82762961 573181104 /nfs/dbraw/zinc/18/11/04/573181104.db2.gz XQRPEXINSCDAPK-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@H]1CCC[C@](O)(CC#N)CC1 85879495 573181210 /nfs/dbraw/zinc/18/12/10/573181210.db2.gz KBUWYJVAIRQLSM-WDEREUQCSA-N 0 0 181.279 2.621 10 30 AFEERN CC[C@]1(C)CC[C@H](C#N)C1 257961659 573181225 /nfs/dbraw/zinc/18/12/25/573181225.db2.gz HBIFTRKLUJNBJG-DTWKUNHWSA-N 0 0 137.226 2.726 10 30 AFEERN CC(C)c1ccc([C@H](O)CC#N)cc1 85878387 573181245 /nfs/dbraw/zinc/18/12/45/573181245.db2.gz UGKNKHFHUHDZOO-GFCCVEGCSA-N 0 0 189.258 2.757 10 30 AFEERN Cc1ccc(C)c([C@@](C)(F)C=O)c1 257961064 573181284 /nfs/dbraw/zinc/18/12/84/573181284.db2.gz XKCCZVUTEHCOFV-NSHDSACASA-N 0 0 180.222 2.687 10 30 AFEERN Cc1cc2ccc(CC#N)cc2cn1 257962506 573181355 /nfs/dbraw/zinc/18/13/55/573181355.db2.gz BWZSKNADXPJIIE-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN CC[C@@H]1CCC[C@](O)(CC#N)CC1 85879491 573181364 /nfs/dbraw/zinc/18/13/64/573181364.db2.gz KBUWYJVAIRQLSM-GHMZBOCLSA-N 0 0 181.279 2.621 10 30 AFEERN CCN(CC)[C@H](C#N)[C@H](C)C(C)C 308294571 573181536 /nfs/dbraw/zinc/18/15/36/573181536.db2.gz ROAHTIWUFMCTJX-GHMZBOCLSA-N 0 0 182.311 2.512 10 30 AFEERN CC[C@H]1CCC[C@@](O)(CC#N)CC1 85879502 573181568 /nfs/dbraw/zinc/18/15/68/573181568.db2.gz KBUWYJVAIRQLSM-QWRGUYRKSA-N 0 0 181.279 2.621 10 30 AFEERN C[C@H](C=O)Cc1cccc2cnccc12 82762844 573181612 /nfs/dbraw/zinc/18/16/12/573181612.db2.gz XZHODQUHUOMQLV-JTQLQIEISA-N 0 0 199.253 2.612 10 30 AFEERN C[C@@H](C=O)Cc1cccc2cnccc12 82762845 573181685 /nfs/dbraw/zinc/18/16/85/573181685.db2.gz XZHODQUHUOMQLV-SNVBAGLBSA-N 0 0 199.253 2.612 10 30 AFEERN [N-]=[N+]=Nc1cscc1C=O 104682471 573181728 /nfs/dbraw/zinc/18/17/28/573181728.db2.gz AHXQJDSFJDZARJ-UHFFFAOYSA-N 0 0 153.166 2.502 10 30 AFEERN Cc1ccc([C@@H](O)CS)c(C)c1C 259358248 573181841 /nfs/dbraw/zinc/18/18/41/573181841.db2.gz WGUXSRYNTBCIJA-NSHDSACASA-N 0 0 196.315 2.575 10 30 AFEERN C[C@@H]1CCc2ccc(C#N)cc21 257961549 573181955 /nfs/dbraw/zinc/18/19/55/573181955.db2.gz GYFIVCBSFCHALQ-MRVPVSSYSA-N 0 0 157.216 2.608 10 30 AFEERN CCN(CC)[C@@H](C#N)[C@@H](C)C(C)C 308294573 573182072 /nfs/dbraw/zinc/18/20/72/573182072.db2.gz ROAHTIWUFMCTJX-QWRGUYRKSA-N 0 0 182.311 2.512 10 30 AFEERN C[C@H](C=O)CCc1ccsc1 82762966 573182131 /nfs/dbraw/zinc/18/21/31/573182131.db2.gz GMPITBWZLYZKDR-QMMMGPOBSA-N 0 0 168.261 2.516 10 30 AFEERN CC[C@]1(C)CC[C@@H](C#N)C1 257961665 573182198 /nfs/dbraw/zinc/18/21/98/573182198.db2.gz HBIFTRKLUJNBJG-RKDXNWHRSA-N 0 0 137.226 2.726 10 30 AFEERN CC(C)[C@@](C)(O)[C@@]1(C#N)CC[C@@H](C)C1 85881653 573182311 /nfs/dbraw/zinc/18/23/11/573182311.db2.gz XBZVPSLNUGGMRQ-UTUOFQBUSA-N 0 0 195.306 2.723 10 30 AFEERN CCN(CC)[C@H](C#N)[C@@H](C)C(C)C 308294574 573182313 /nfs/dbraw/zinc/18/23/13/573182313.db2.gz ROAHTIWUFMCTJX-WDEREUQCSA-N 0 0 182.311 2.512 10 30 AFEERN C=CCNC1=N[C@@](C)(CC)C(=C)S1 238305957 573182349 /nfs/dbraw/zinc/18/23/49/573182349.db2.gz AIMATEIZPCQGMX-JTQLQIEISA-N 0 0 196.319 2.547 10 30 AFEERN C[C@@H](C=O)CCc1ccsc1 82762967 573182371 /nfs/dbraw/zinc/18/23/71/573182371.db2.gz GMPITBWZLYZKDR-MRVPVSSYSA-N 0 0 168.261 2.516 10 30 AFEERN CC(C)(C#N)[C@@](C)(O)c1cccs1 85883122 573182398 /nfs/dbraw/zinc/18/23/98/573182398.db2.gz CZLXOBIIBXZGGX-JTQLQIEISA-N 0 0 195.287 2.505 10 30 AFEERN CC[C@H](C#N)[C@](C)(O)c1cccs1 85883145 573182500 /nfs/dbraw/zinc/18/25/00/573182500.db2.gz JZMLWDQHUMOZRN-SCZZXKLOSA-N 0 0 195.287 2.505 10 30 AFEERN CC[C@H]1CCC[C@](C#N)(C(C)(C)O)C1 85881250 573182533 /nfs/dbraw/zinc/18/25/33/573182533.db2.gz BJWXCBLPORFHKU-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CC[C@](C#N)(C2(O)CCCC2)C1 85880433 573182576 /nfs/dbraw/zinc/18/25/76/573182576.db2.gz CHNKNGVKNSVPDD-MNOVXSKESA-N 0 0 193.290 2.621 10 30 AFEERN Cc1cc(C)cc(C[C@@H](C)C=O)c1 82762824 573182592 /nfs/dbraw/zinc/18/25/92/573182592.db2.gz RPPMIYJQWOOBBQ-LLVKDONJSA-N 0 0 176.259 2.681 10 30 AFEERN CC[C@]1(C)C[C@H](C)C(=O)C=C1C 238305436 573182830 /nfs/dbraw/zinc/18/28/30/573182830.db2.gz ITVJRAIFSCRDFF-GZMMTYOYSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@](C)(O)C1(C#N)CCCCC1 85881454 573182833 /nfs/dbraw/zinc/18/28/33/573182833.db2.gz HNRHDHLXSIKKTO-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN C=C1C[C@@H](CC)C(=O)[C@H](CC)C1 238300399 573184733 /nfs/dbraw/zinc/18/47/33/573184733.db2.gz QZKAHHSMATXCDL-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@]1(CC)CC[C@H](C)C1=O 238306305 573185603 /nfs/dbraw/zinc/18/56/03/573185603.db2.gz LIDVOCZAAJLUFG-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)[C@](C)(O)C1(C#N)CCCCC1 85881672 573185786 /nfs/dbraw/zinc/18/57/86/573185786.db2.gz QLXIPJBJRNPGPU-NSHDSACASA-N 0 0 195.306 2.867 10 30 AFEERN C=C(C)[C@]1(CC)CC[C@@H](C)C1=O 238306297 573185880 /nfs/dbraw/zinc/18/58/80/573185880.db2.gz LIDVOCZAAJLUFG-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H]1CCC[C@@](C#N)(C(C)(C)O)C1 85881245 573185883 /nfs/dbraw/zinc/18/58/83/573185883.db2.gz BJWXCBLPORFHKU-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H]1CCC[C@](O)(C2(C#N)CCC2)C1 85879987 573185590 /nfs/dbraw/zinc/18/55/90/573185590.db2.gz YAXSIHNHONYIMB-CMPLNLGQSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H](C#N)[C@@]1(O)C[C@H](C)CC(C)(C)C1 85880141 573186134 /nfs/dbraw/zinc/18/61/34/573186134.db2.gz GRBVHIVLCMMRSZ-JFGNBEQYSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1CCC[C@@](O)(C2(C#N)CCC2)C1 85879997 573184705 /nfs/dbraw/zinc/18/47/05/573184705.db2.gz YAXSIHNHONYIMB-JQWIXIFHSA-N 0 0 193.290 2.621 10 30 AFEERN CC(C)[C@@](C)(O)[C@]1(C#N)CC[C@@H](C)C1 85881647 573184770 /nfs/dbraw/zinc/18/47/70/573184770.db2.gz XBZVPSLNUGGMRQ-IJLUTSLNSA-N 0 0 195.306 2.723 10 30 AFEERN C=CC#CC1=C(C)[C@@H](O)CCC1(C)C 222645108 573184779 /nfs/dbraw/zinc/18/47/79/573184779.db2.gz NPVDRVYORHBLMN-LBPRGKRZSA-N 0 0 190.286 2.673 10 30 AFEERN CC[C@](C)(C#N)[C@]1(O)CCCC[C@@H]1C 85880220 573184784 /nfs/dbraw/zinc/18/47/84/573184784.db2.gz VIPVLBZWTMTEJJ-TUAOUCFPSA-N 0 0 195.306 2.867 10 30 AFEERN CCC1CCC(O)([C@H](C#N)CC)CC1 85880189 573184805 /nfs/dbraw/zinc/18/48/05/573184805.db2.gz WAUKBPPPRBJAQA-CXQJBGSLSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1ccc(C[C@H](C)C=O)cc1C 82762882 573184837 /nfs/dbraw/zinc/18/48/37/573184837.db2.gz XLNHLEJOGXHNSO-VIFPVBQESA-N 0 0 176.259 2.681 10 30 AFEERN Cc1cc(C[C@@H](C)C=O)ccc1F 82762887 573184873 /nfs/dbraw/zinc/18/48/73/573184873.db2.gz CARQSKDJVOFEOG-MRVPVSSYSA-N 0 0 180.222 2.512 10 30 AFEERN C=CCCCOC(=O)C1CC(C)C1 308263038 573184950 /nfs/dbraw/zinc/18/49/50/573184950.db2.gz OGNIWDXZYBBVAC-UHFFFAOYSA-N 0 0 182.263 2.542 10 30 AFEERN Cc1ccc(C)c([C@](C)(F)C=O)c1 257961060 573185028 /nfs/dbraw/zinc/18/50/28/573185028.db2.gz XKCCZVUTEHCOFV-LLVKDONJSA-N 0 0 180.222 2.687 10 30 AFEERN CC[C@@H]1CC(=O)C2=C1CCCC2 238300584 573185038 /nfs/dbraw/zinc/18/50/38/573185038.db2.gz DGNDUHLQVNUWDR-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN C[C@H]1CCCC[C@@]1(O)C1(C#N)CCC1 85880307 573185073 /nfs/dbraw/zinc/18/50/73/573185073.db2.gz YBYKSQZRXIDTFN-JQWIXIFHSA-N 0 0 193.290 2.621 10 30 AFEERN Cc1cccc([C@](C)(F)C=O)c1C 257960780 573185091 /nfs/dbraw/zinc/18/50/91/573185091.db2.gz XHQKEXWBRWHWML-LLVKDONJSA-N 0 0 180.222 2.687 10 30 AFEERN C=C(C)[C@]1(CC)CCCC1=O 238306289 573185159 /nfs/dbraw/zinc/18/51/59/573185159.db2.gz LZJHHSPABHJQHJ-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@@]1(C)CC[C@H](C#N)C1 257961662 573185224 /nfs/dbraw/zinc/18/52/24/573185224.db2.gz HBIFTRKLUJNBJG-IUCAKERBSA-N 0 0 137.226 2.726 10 30 AFEERN CCCC1CCC(O)([C@H](C)C#N)CC1 85880051 573185260 /nfs/dbraw/zinc/18/52/60/573185260.db2.gz WJUMQNNKFKVGMJ-VOMCLLRMSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@](C)(O)C1(C#N)CCCCC1 85881457 573185326 /nfs/dbraw/zinc/18/53/26/573185326.db2.gz HNRHDHLXSIKKTO-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN Cc1cc(F)ccc1C[C@@H](C)C=O 82762784 573185372 /nfs/dbraw/zinc/18/53/72/573185372.db2.gz QKTIBLRCLFCTEB-MRVPVSSYSA-N 0 0 180.222 2.512 10 30 AFEERN C=CC(=O)c1cn(C)c2cc(C)ccc12 235899540 573185384 /nfs/dbraw/zinc/18/53/84/573185384.db2.gz AGUUOIRLNZGLIZ-UHFFFAOYSA-N 0 0 199.253 2.855 10 30 AFEERN CC(C)[C@H]1CCC[C@@](O)(CC#N)CC1 85879541 573185421 /nfs/dbraw/zinc/18/54/21/573185421.db2.gz UGTSTIVBAOZIRT-RYUDHWBXSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)(C#N)C1(O)CCCCCC1 85880464 573185445 /nfs/dbraw/zinc/18/54/45/573185445.db2.gz PTZFVEWHJLDOSV-UHFFFAOYSA-N 0 0 181.279 2.621 10 30 AFEERN Cc1cc(C)cc(C[C@H](C)C=O)c1 82762825 573185468 /nfs/dbraw/zinc/18/54/68/573185468.db2.gz RPPMIYJQWOOBBQ-NSHDSACASA-N 0 0 176.259 2.681 10 30 AFEERN CC[C@H](C)[C@@](C)(O)C1(C#N)CCCC1 85882128 573185470 /nfs/dbraw/zinc/18/54/70/573185470.db2.gz XWMHCSNHPDELKH-WDEREUQCSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1ccc(Cl)cc1[C@@H](N)CC#N 104684539 573185483 /nfs/dbraw/zinc/18/54/83/573185483.db2.gz PHQLHJNFSHKLPX-JTQLQIEISA-N 0 0 194.665 2.562 10 30 AFEERN C[C@](O)(C1CC1)C1(C#N)CCCCC1 85881816 573185518 /nfs/dbraw/zinc/18/55/18/573185518.db2.gz KZEQBRDCXGGZSG-NSHDSACASA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H](C#N)C1(O)CCCCCC1 85880483 573185559 /nfs/dbraw/zinc/18/55/59/573185559.db2.gz JBJORAROXHGSLF-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN CC[C@@H](C#N)[C@](C)(O)c1cccs1 85883143 573185640 /nfs/dbraw/zinc/18/56/40/573185640.db2.gz JZMLWDQHUMOZRN-WPRPVWTQSA-N 0 0 195.287 2.505 10 30 AFEERN Cc1cccc([C@@H](O)C(C)(C)C#N)c1 85887391 573190301 /nfs/dbraw/zinc/19/03/01/573190301.db2.gz AYCKTNOPTLLPKU-LLVKDONJSA-N 0 0 189.258 2.578 10 30 AFEERN CC[C@H](C)[C@](C)(O)C1(C#N)CCCC1 85882123 573185701 /nfs/dbraw/zinc/18/57/01/573185701.db2.gz XWMHCSNHPDELKH-QWRGUYRKSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@](C)(O)[C@]1(C#N)CCC[C@H](C)C1 85881348 573185713 /nfs/dbraw/zinc/18/57/13/573185713.db2.gz MXOKQZXLVSBHDO-SDDRHHMPSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H](C)[C@@](C)(O)C1(C#N)CCCC1 85882126 573185721 /nfs/dbraw/zinc/18/57/21/573185721.db2.gz XWMHCSNHPDELKH-GHMZBOCLSA-N 0 0 195.306 2.867 10 30 AFEERN CCC(O)(CC)C1(C#N)CCCC1 85881535 573185921 /nfs/dbraw/zinc/18/59/21/573185921.db2.gz DRZMAIUWXMSAEB-UHFFFAOYSA-N 0 0 181.279 2.621 10 30 AFEERN CCC(O)(CC)[C@]1(C#N)CC[C@H](C)C1 85881552 573185954 /nfs/dbraw/zinc/18/59/54/573185954.db2.gz YFAYYHKFCYAJQE-WDEREUQCSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CCC[C@@](O)(C2(C#N)CCC2)C1 85879990 573186030 /nfs/dbraw/zinc/18/60/30/573186030.db2.gz YAXSIHNHONYIMB-PWSUYJOCSA-N 0 0 193.290 2.621 10 30 AFEERN SCc1csc(-c2cc[nH]c2)n1 259360681 573186032 /nfs/dbraw/zinc/18/60/32/573186032.db2.gz QQHAGMXWWRSABV-UHFFFAOYSA-N 0 0 196.300 2.568 10 30 AFEERN CC[C@](C)(O)C1(C#N)CCC(C)CC1 85881448 573186094 /nfs/dbraw/zinc/18/60/94/573186094.db2.gz CUUOAYCUYQLTBQ-CXQJBGSLSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H]1CC[C@@](C#N)(C2(O)CCCC2)C1 85880431 573186197 /nfs/dbraw/zinc/18/61/97/573186197.db2.gz CHNKNGVKNSVPDD-WDEREUQCSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@H]1CCC[C@](C#N)(C(C)(C)O)C1 85881248 573186211 /nfs/dbraw/zinc/18/62/11/573186211.db2.gz BJWXCBLPORFHKU-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@@](C)(O)c1cccs1 85883148 573186275 /nfs/dbraw/zinc/18/62/75/573186275.db2.gz JZMLWDQHUMOZRN-PSASIEDQSA-N 0 0 195.287 2.505 10 30 AFEERN C=C[C@H](C)OC(=O)C(C)(CC)CC 308298646 573186337 /nfs/dbraw/zinc/18/63/37/573186337.db2.gz KWTOKMXIGHZKSK-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN CCC1CCC(O)(C(C)(C)C#N)CC1 85880177 573186385 /nfs/dbraw/zinc/18/63/85/573186385.db2.gz WLDCWPNRSJKVNJ-UHFFFAOYSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H](C)[C@](C)(O)C1(C#N)CCCC1 85882120 573186393 /nfs/dbraw/zinc/18/63/93/573186393.db2.gz XWMHCSNHPDELKH-MNOVXSKESA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H](C#N)[C@]1(O)C[C@H](C)CC(C)(C)C1 85880136 573186403 /nfs/dbraw/zinc/18/64/03/573186403.db2.gz GRBVHIVLCMMRSZ-SCVCMEIPSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)[C@H]1CCC[C@](O)(CC#N)CC1 85879532 573186412 /nfs/dbraw/zinc/18/64/12/573186412.db2.gz UGTSTIVBAOZIRT-NWDGAFQWSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CC[C@@](C#N)(C2(O)CCCC2)C1 85880429 573186433 /nfs/dbraw/zinc/18/64/33/573186433.db2.gz CHNKNGVKNSVPDD-GHMZBOCLSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@]1(C(C)C)CC=CC1=O 238306474 573187798 /nfs/dbraw/zinc/18/77/98/573187798.db2.gz IKDACAMYJZPWFZ-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN CCCCCCC[C@H](C)NO 132015596 573187161 /nfs/dbraw/zinc/18/71/61/573187161.db2.gz XVCXDZNVHVNIJH-VIFPVBQESA-N 0 0 159.273 2.714 10 30 AFEERN CCC(O)(CC)[C@]1(C#N)CC[C@@H](C)C1 85881558 573187207 /nfs/dbraw/zinc/18/72/07/573187207.db2.gz YFAYYHKFCYAJQE-GHMZBOCLSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCC[C@@H](C)OC(=O)/C(C)=C/C 308296362 573187486 /nfs/dbraw/zinc/18/74/86/573187486.db2.gz KEGTYBOCUWYRSF-OLKPEBQYSA-N 0 0 182.263 2.851 10 30 AFEERN CC[C@H](C#N)[C@H](C#N)c1ccccc1 238300149 573187586 /nfs/dbraw/zinc/18/75/86/573187586.db2.gz JSKUTZSOTDMIRG-PWSUYJOCSA-N 0 0 184.242 2.844 10 30 AFEERN CC[C@H](C)N[C@H](C#N)[C@H](C)C(C)C 308297167 573187644 /nfs/dbraw/zinc/18/76/44/573187644.db2.gz WSWUCWRZLXUQAU-HBNTYKKESA-N 0 0 182.311 2.559 10 30 AFEERN Cc1cccc([C@H](O)C(C)(C)C#N)c1 85887388 573188135 /nfs/dbraw/zinc/18/81/35/573188135.db2.gz AYCKTNOPTLLPKU-NSHDSACASA-N 0 0 189.258 2.578 10 30 AFEERN CC[C@@H](C#N)[C@H](O)c1cccc(C)c1 85887418 573187862 /nfs/dbraw/zinc/18/78/62/573187862.db2.gz AYSSHJIBXWGNBN-JQWIXIFHSA-N 0 0 189.258 2.578 10 30 AFEERN C=CCC[C@H](C)OC(=O)/C(C)=C/C 308296363 573187902 /nfs/dbraw/zinc/18/79/02/573187902.db2.gz KEGTYBOCUWYRSF-ZKXNXJMVSA-N 0 0 182.263 2.851 10 30 AFEERN CC[C@@](C)(C#N)[C@@H](O)c1ccccc1 85884359 573188057 /nfs/dbraw/zinc/18/80/57/573188057.db2.gz PLEMVMCYAYVEQN-RYUDHWBXSA-N 0 0 189.258 2.660 10 30 AFEERN CC[C@@H](C#N)[C@H](O)c1sccc1C 85886675 573188156 /nfs/dbraw/zinc/18/81/56/573188156.db2.gz JODJINVASADAIK-IUCAKERBSA-N 0 0 195.287 2.640 10 30 AFEERN Cc1cccc([C@@H](CC#N)N(C)C)c1 259363308 573188173 /nfs/dbraw/zinc/18/81/73/573188173.db2.gz FYXZZIXFYGEVEC-GFCCVEGCSA-N 0 0 188.274 2.511 10 30 AFEERN CC(C)c1ccc2c(n1)c(C#N)cn2C 259363827 573188218 /nfs/dbraw/zinc/18/82/18/573188218.db2.gz NNELTYFUSUVNOP-UHFFFAOYSA-N 0 0 199.257 2.568 10 30 AFEERN C[C@@H](CC=O)c1cccc2cc[nH]c12 257962584 573188225 /nfs/dbraw/zinc/18/82/25/573188225.db2.gz BXXJWUZOLMLSLA-VIFPVBQESA-N 0 0 187.242 2.860 10 30 AFEERN CC[C@H](C#N)[C@@H](O)c1ccc(C)s1 85887096 573188291 /nfs/dbraw/zinc/18/82/91/573188291.db2.gz TUXKFZDYMWOTOJ-PSASIEDQSA-N 0 0 195.287 2.640 10 30 AFEERN Cc1ccc([C@@H](O)C(C)(C)C#N)s1 85887060 573188308 /nfs/dbraw/zinc/18/83/08/573188308.db2.gz YUZVGTADZCBONR-SECBINFHSA-N 0 0 195.287 2.640 10 30 AFEERN C[C@@H]1CCc2c(F)cccc2C1=NO 308299421 573188416 /nfs/dbraw/zinc/18/84/16/573188416.db2.gz KKTRSSNFVYIQMK-SSDOTTSWSA-N 0 0 193.221 2.586 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)([C@H](O)C(C)C)C1 85886116 573188421 /nfs/dbraw/zinc/18/84/21/573188421.db2.gz UIDGAMUPTYVYSP-IJLUTSLNSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H](C#N)[C@H](O)c1ccc(C)s1 85887086 573188450 /nfs/dbraw/zinc/18/84/50/573188450.db2.gz TUXKFZDYMWOTOJ-WPRPVWTQSA-N 0 0 195.287 2.640 10 30 AFEERN O=CCCc1ccc(CCCF)cc1 257962675 573188554 /nfs/dbraw/zinc/18/85/54/573188554.db2.gz BZGANQKWXKAEFL-UHFFFAOYSA-N 0 0 194.249 2.720 10 30 AFEERN CC[C@H](C#N)c1nc2ccccc2[nH]1 238300554 573188561 /nfs/dbraw/zinc/18/85/61/573188561.db2.gz MYVHSZVZDMKSKM-MRVPVSSYSA-N 0 0 185.230 2.580 10 30 AFEERN N#CC1([C@H](O)C2CC2)CCCCCC1 85888961 573188566 /nfs/dbraw/zinc/18/85/66/573188566.db2.gz QFGXRLKCWGIXMG-LLVKDONJSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@](C)(C#N)[C@@H](O)C1CCCCC1 85887538 573188629 /nfs/dbraw/zinc/18/86/29/573188629.db2.gz CKDZDMIANZGKJY-RYUDHWBXSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H](C#N)[C@H](O)c1ccccc1C 85887345 573188634 /nfs/dbraw/zinc/18/86/34/573188634.db2.gz UHLLQFLMMMCVHO-JQWIXIFHSA-N 0 0 189.258 2.578 10 30 AFEERN CCc1c(C#N)cccc1SC 238306422 573188687 /nfs/dbraw/zinc/18/86/87/573188687.db2.gz PONOCELXOQNZFR-UHFFFAOYSA-N 0 0 177.272 2.843 10 30 AFEERN CC[C@@H]1C=CCC=C2C(=O)CC[C@H]21 238299982 573188698 /nfs/dbraw/zinc/18/86/98/573188698.db2.gz OMOMVAIIVPWLCQ-ZJUUUORDSA-N 0 0 176.259 2.878 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)c1ccccc1 85884357 573188721 /nfs/dbraw/zinc/18/87/21/573188721.db2.gz PLEMVMCYAYVEQN-VXGBXAGGSA-N 0 0 189.258 2.660 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)C1CCCCC1 85887532 573188750 /nfs/dbraw/zinc/18/87/50/573188750.db2.gz CKDZDMIANZGKJY-VXGBXAGGSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H](C#N)[C@@H](O)c1cccc(C)c1 85887423 573188781 /nfs/dbraw/zinc/18/87/81/573188781.db2.gz AYSSHJIBXWGNBN-CMPLNLGQSA-N 0 0 189.258 2.578 10 30 AFEERN CC(C)(F)Cc1cccc(C#N)c1 257963077 573188886 /nfs/dbraw/zinc/18/88/86/573188886.db2.gz HBXRPTBLLMXNHY-UHFFFAOYSA-N 0 0 177.222 2.849 10 30 AFEERN Cc1ccc(-c2cnoc2C#N)c(C)c1 259363474 573188899 /nfs/dbraw/zinc/18/88/99/573188899.db2.gz GTIJCZSJZYJHKL-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN CC(C)[C@@H](O)[C@@]1(C#N)CCC[C@@H](C)C1 85886089 573190219 /nfs/dbraw/zinc/19/02/19/573190219.db2.gz RDNKHRRBWYXPJO-UTUOFQBUSA-N 0 0 195.306 2.723 10 30 AFEERN CC1CCC(C#N)([C@@H](O)C(C)C)CC1 85886222 573190401 /nfs/dbraw/zinc/19/04/01/573190401.db2.gz OWUCKKFQJJXJFR-CXQJBGSLSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)c1ccccc1 85884361 573189597 /nfs/dbraw/zinc/18/95/97/573189597.db2.gz PLEMVMCYAYVEQN-NWDGAFQWSA-N 0 0 189.258 2.660 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)c1cccs1 85885425 573189693 /nfs/dbraw/zinc/18/96/93/573189693.db2.gz SGGPYLQVBLKWSR-VHSXEESVSA-N 0 0 195.287 2.721 10 30 AFEERN CC[C@H](C)[C@]1(C)C=CC(=O)CC1 238302116 573189715 /nfs/dbraw/zinc/18/97/15/573189715.db2.gz WEXJKZKPJMMIOR-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)C1CCCCC1 85887541 573189729 /nfs/dbraw/zinc/18/97/29/573189729.db2.gz CKDZDMIANZGKJY-NWDGAFQWSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C)[C@H]1C=CC[C@@H](C=O)C1 238300675 573189784 /nfs/dbraw/zinc/18/97/84/573189784.db2.gz BFRDDUBCDNGGLF-AXFHLTTASA-N 0 0 166.264 2.814 10 30 AFEERN N#CC1([C@H](O)C2CCCCC2)CCC1 85887614 573189799 /nfs/dbraw/zinc/18/97/99/573189799.db2.gz SSZXFEUBQNVNBN-LLVKDONJSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@](C)(C#N)[C@H](O)c1cccs1 85885415 573189818 /nfs/dbraw/zinc/18/98/18/573189818.db2.gz SGGPYLQVBLKWSR-ZJUUUORDSA-N 0 0 195.287 2.721 10 30 AFEERN CC[C@@H](C#N)[C@H](O)c1ccc(C)cc1 85886772 573189881 /nfs/dbraw/zinc/18/98/81/573189881.db2.gz YYUPYTFQIGJEKN-JQWIXIFHSA-N 0 0 189.258 2.578 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)c1ccsc1 85884929 573189931 /nfs/dbraw/zinc/18/99/31/573189931.db2.gz WWKHNUKVJMWRLY-NXEZZACHSA-N 0 0 195.287 2.721 10 30 AFEERN CC[C@@H](C#N)[C@@H](O)c1ccc(C)s1 85887092 573189940 /nfs/dbraw/zinc/18/99/40/573189940.db2.gz TUXKFZDYMWOTOJ-WCBMZHEXSA-N 0 0 195.287 2.640 10 30 AFEERN C=CCC[C@@H](C)OC(=O)/C(C)=C\C 308296359 573190031 /nfs/dbraw/zinc/19/00/31/573190031.db2.gz KEGTYBOCUWYRSF-ABRRARGCSA-N 0 0 182.263 2.851 10 30 AFEERN C[C@H](C#N)[C@@H](O)c1ccccc1Cl 85885756 573190051 /nfs/dbraw/zinc/19/00/51/573190051.db2.gz DXUUGHXARYGDMI-GMSGAONNSA-N 0 0 195.649 2.533 10 30 AFEERN CC[C@@](C)(C#N)[C@H](O)C1CCCCC1 85887527 573190122 /nfs/dbraw/zinc/19/01/22/573190122.db2.gz CKDZDMIANZGKJY-NEPJUHHUSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCC[NH2+]C(C)(C)C(C)(F)F 405917415 573190196 /nfs/dbraw/zinc/19/01/96/573190196.db2.gz OOXDKUBQJBOEKZ-UHFFFAOYSA-N 0 0 191.265 2.976 10 30 AFEERN CC[C@H](C)[C@H](O)[C@]1(C#N)CC[C@H](C)C1 85888558 573190202 /nfs/dbraw/zinc/19/02/02/573190202.db2.gz PPAZBDZJFKWZSW-FIQHERPVSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@H](C#N)[C@@H](O)c1sccc1C 85886682 573190241 /nfs/dbraw/zinc/19/02/41/573190241.db2.gz JODJINVASADAIK-RKDXNWHRSA-N 0 0 195.287 2.640 10 30 AFEERN C[C@H](C#N)[C@H](O)c1ccccc1Cl 85885752 573190266 /nfs/dbraw/zinc/19/02/66/573190266.db2.gz DXUUGHXARYGDMI-XCBNKYQSSA-N 0 0 195.649 2.533 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)c1cccs1 85885419 573190323 /nfs/dbraw/zinc/19/03/23/573190323.db2.gz SGGPYLQVBLKWSR-NXEZZACHSA-N 0 0 195.287 2.721 10 30 AFEERN C[C@H](C#N)[C@H](O)c1cccc(Cl)c1 85886388 573190332 /nfs/dbraw/zinc/19/03/32/573190332.db2.gz RHYSYCMXVOTUEL-XCBNKYQSSA-N 0 0 195.649 2.533 10 30 AFEERN CC[C@H](C#N)[C@@H](O)c1cccc(C)c1 85887426 573190360 /nfs/dbraw/zinc/19/03/60/573190360.db2.gz AYSSHJIBXWGNBN-ZYHUDNBSSA-N 0 0 189.258 2.578 10 30 AFEERN CC[C@@H](C)[C@H](O)C1(C#N)CCCCC1 85888590 573190381 /nfs/dbraw/zinc/19/03/81/573190381.db2.gz SBMUQDVGHUFGFU-MNOVXSKESA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@](C)(C#N)[C@@H](O)c1ccc(C)o1 85884110 573190416 /nfs/dbraw/zinc/19/04/16/573190416.db2.gz MXYBDYONFPSDMJ-QWRGUYRKSA-N 0 0 193.246 2.561 10 30 AFEERN C=C(C)[C@@H](O)CC/C=C(/C)F 142133265 573190421 /nfs/dbraw/zinc/19/04/21/573190421.db2.gz HPPMMMTUHBDBJF-RDOCRHDPSA-N 0 0 158.216 2.577 10 30 AFEERN N#CC1([C@@H](O)C2CC2)CCCCCC1 85888965 573190502 /nfs/dbraw/zinc/19/05/02/573190502.db2.gz QFGXRLKCWGIXMG-NSHDSACASA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H](C)[C@@H](O)C1(C#N)CCCCC1 85888599 573190547 /nfs/dbraw/zinc/19/05/47/573190547.db2.gz SBMUQDVGHUFGFU-WDEREUQCSA-N 0 0 195.306 2.867 10 30 AFEERN CCc1sc2cc(C#N)[nH]c2c1C 259361588 573190549 /nfs/dbraw/zinc/19/05/49/573190549.db2.gz DIRKYGLUPAEMSG-UHFFFAOYSA-N 0 0 190.271 2.972 10 30 AFEERN CC[C@H](C#N)[C@H](O)c1ccc(C)s1 85887090 573190700 /nfs/dbraw/zinc/19/07/00/573190700.db2.gz TUXKFZDYMWOTOJ-SCZZXKLOSA-N 0 0 195.287 2.640 10 30 AFEERN C=CCC[C@H](C)OC(=O)/C(C)=C\C 308296361 573190734 /nfs/dbraw/zinc/19/07/34/573190734.db2.gz KEGTYBOCUWYRSF-MBACFSSFSA-N 0 0 182.263 2.851 10 30 AFEERN CC[C@H](C#N)[C@H](O)c1sccc1C 85886678 573190762 /nfs/dbraw/zinc/19/07/62/573190762.db2.gz JODJINVASADAIK-BDAKNGLRSA-N 0 0 195.287 2.640 10 30 AFEERN C=C(C)[C@@]1(CC)CC[C@H](C)C1=O 238301308 573190784 /nfs/dbraw/zinc/19/07/84/573190784.db2.gz LIDVOCZAAJLUFG-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN CCC[C@@H](C#N)CC(C)C 142186090 573190791 /nfs/dbraw/zinc/19/07/91/573190791.db2.gz FZPDOGVFWQQSLF-SECBINFHSA-N 0 0 139.242 2.972 10 30 AFEERN CCSc1ccc(OC)c(C#N)c1 238301839 573190792 /nfs/dbraw/zinc/19/07/92/573190792.db2.gz QVXLZIDTXZQMPH-UHFFFAOYSA-N 0 0 193.271 2.679 10 30 AFEERN CC[C@H](C#N)[C@@H](O)c1ccccc1C 85887355 573190849 /nfs/dbraw/zinc/19/08/49/573190849.db2.gz UHLLQFLMMMCVHO-ZYHUDNBSSA-N 0 0 189.258 2.578 10 30 AFEERN Cc1ccsc1[C@H](O)C(C)(C)C#N 85886650 573190852 /nfs/dbraw/zinc/19/08/52/573190852.db2.gz DIDHSPGEGCNJPI-VIFPVBQESA-N 0 0 195.287 2.640 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)c1ccc(C)o1 85884112 573190884 /nfs/dbraw/zinc/19/08/84/573190884.db2.gz MXYBDYONFPSDMJ-WDEREUQCSA-N 0 0 193.246 2.561 10 30 AFEERN CC[C@@](C)(C#N)[C@@H](O)c1ccsc1 85884934 573191045 /nfs/dbraw/zinc/19/10/45/573191045.db2.gz WWKHNUKVJMWRLY-UWVGGRQHSA-N 0 0 195.287 2.721 10 30 AFEERN Cc1ccc([C@H](O)C(C)(C)C#N)s1 85887057 573191087 /nfs/dbraw/zinc/19/10/87/573191087.db2.gz YUZVGTADZCBONR-VIFPVBQESA-N 0 0 195.287 2.640 10 30 AFEERN Cc1cccc([C@H](CC#N)N(C)C)c1 259363311 573191149 /nfs/dbraw/zinc/19/11/49/573191149.db2.gz FYXZZIXFYGEVEC-LBPRGKRZSA-N 0 0 188.274 2.511 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)c1ccc(C)o1 85884108 573191267 /nfs/dbraw/zinc/19/12/67/573191267.db2.gz MXYBDYONFPSDMJ-GHMZBOCLSA-N 0 0 193.246 2.561 10 30 AFEERN CC[C@H](C#N)[C@H](O)c1ccccc1C 85887349 573191279 /nfs/dbraw/zinc/19/12/79/573191279.db2.gz UHLLQFLMMMCVHO-PWSUYJOCSA-N 0 0 189.258 2.578 10 30 AFEERN CC1CCC(C#N)([C@H](O)C(C)C)CC1 85886220 573191290 /nfs/dbraw/zinc/19/12/90/573191290.db2.gz OWUCKKFQJJXJFR-MOENNCHZSA-N 0 0 195.306 2.723 10 30 AFEERN C/C=C\COc1cc(C)ccc1C#N 220386992 573191312 /nfs/dbraw/zinc/19/13/12/573191312.db2.gz QEBJSCUBRQDTIK-ARJAWSKDSA-N 0 0 187.242 2.822 10 30 AFEERN CC[C@H](C#N)[C@@H](O)c1ccc(C)cc1 85886780 573191332 /nfs/dbraw/zinc/19/13/32/573191332.db2.gz YYUPYTFQIGJEKN-ZYHUDNBSSA-N 0 0 189.258 2.578 10 30 AFEERN CC[C@@H]1CC[C@](C#N)([C@H](O)C(C)C)C1 85886126 573191512 /nfs/dbraw/zinc/19/15/12/573191512.db2.gz UIDGAMUPTYVYSP-UTUOFQBUSA-N 0 0 195.306 2.723 10 30 AFEERN CC1=C2C(=O)CC[C@@H](C)[C@H]2CC1 142244186 573191367 /nfs/dbraw/zinc/19/13/67/573191367.db2.gz UAXPWBHXCXEJGW-VXNVDRBHSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)c1ccsc1 85884937 573191370 /nfs/dbraw/zinc/19/13/70/573191370.db2.gz WWKHNUKVJMWRLY-VHSXEESVSA-N 0 0 195.287 2.721 10 30 AFEERN CC[C@]1(C(C)C)CC=CC1=O 238301496 573191385 /nfs/dbraw/zinc/19/13/85/573191385.db2.gz IKDACAMYJZPWFZ-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@@](C)(C#N)[C@H](O)c1ccsc1 85884928 573191392 /nfs/dbraw/zinc/19/13/92/573191392.db2.gz WWKHNUKVJMWRLY-ZJUUUORDSA-N 0 0 195.287 2.721 10 30 AFEERN CC(C)[C@H](O)C1(C#N)CCCCCC1 85886267 573191424 /nfs/dbraw/zinc/19/14/24/573191424.db2.gz WJLSYCASDKQUQL-NSHDSACASA-N 0 0 195.306 2.867 10 30 AFEERN Cc1ccsc1[C@@H](O)C(C)(C)C#N 85886653 573191484 /nfs/dbraw/zinc/19/14/84/573191484.db2.gz DIDHSPGEGCNJPI-SECBINFHSA-N 0 0 195.287 2.640 10 30 AFEERN CC[C@H](C#N)[C@H](O)c1cccc(C)c1 85887420 573191496 /nfs/dbraw/zinc/19/14/96/573191496.db2.gz AYSSHJIBXWGNBN-PWSUYJOCSA-N 0 0 189.258 2.578 10 30 AFEERN CC(C)[C@@H](O)[C@]1(C#N)CCC[C@@H](C)C1 85886081 573191507 /nfs/dbraw/zinc/19/15/07/573191507.db2.gz RDNKHRRBWYXPJO-IJLUTSLNSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H](C#N)[C@@H](O)c1ccccc1Cl 85885754 573191520 /nfs/dbraw/zinc/19/15/20/573191520.db2.gz DXUUGHXARYGDMI-OIBJUYFYSA-N 0 0 195.649 2.533 10 30 AFEERN CC[C@@H](C#N)[C@@H](O)c1ccc(C)cc1 85886777 573191525 /nfs/dbraw/zinc/19/15/25/573191525.db2.gz YYUPYTFQIGJEKN-CMPLNLGQSA-N 0 0 189.258 2.578 10 30 AFEERN CC[C@H](C)[C@H](O)C1(C#N)CCCCC1 85888592 573191654 /nfs/dbraw/zinc/19/16/54/573191654.db2.gz SBMUQDVGHUFGFU-QWRGUYRKSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@@H](C)c1noc(/C=C/SC)n1 308301893 573191658 /nfs/dbraw/zinc/19/16/58/573191658.db2.gz LDHPKWZJNRFOBO-WEWAHIQMSA-N 0 0 196.275 2.693 10 30 AFEERN CC(C)[C@@H](O)C1(C#N)CCCCCC1 85886268 573191667 /nfs/dbraw/zinc/19/16/67/573191667.db2.gz WJLSYCASDKQUQL-LLVKDONJSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@H](C)c1noc(/C=C/SC)n1 308301897 573191826 /nfs/dbraw/zinc/19/18/26/573191826.db2.gz LDHPKWZJNRFOBO-XPPMVYLVSA-N 0 0 196.275 2.693 10 30 AFEERN N#CC1([C@@H](O)C2CCCCC2)CCC1 85887613 573191850 /nfs/dbraw/zinc/19/18/50/573191850.db2.gz SSZXFEUBQNVNBN-NSHDSACASA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H](C#N)[C@@H](O)c1cccc(Cl)c1 85886393 573191879 /nfs/dbraw/zinc/19/18/79/573191879.db2.gz RHYSYCMXVOTUEL-GMSGAONNSA-N 0 0 195.649 2.533 10 30 AFEERN CC[C@H](C#N)[C@H](O)c1ccc(C)cc1 85886774 573191945 /nfs/dbraw/zinc/19/19/45/573191945.db2.gz YYUPYTFQIGJEKN-PWSUYJOCSA-N 0 0 189.258 2.578 10 30 AFEERN CC[C@@H](C)[C@@H](O)C1(C#N)CCCCC1 85888595 573191955 /nfs/dbraw/zinc/19/19/55/573191955.db2.gz SBMUQDVGHUFGFU-GHMZBOCLSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCC(=O)OCC1(C)CCC1 308302108 573192313 /nfs/dbraw/zinc/19/23/13/573192313.db2.gz MKFYZWWNMCHMAC-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)[C@H](O)CC/C=C(/C)F 142133053 573192468 /nfs/dbraw/zinc/19/24/68/573192468.db2.gz HPPMMMTUHBDBJF-BZJXQOFCSA-N 0 0 158.216 2.577 10 30 AFEERN CC[C@H](O)C1(C#N)CCC(C)(C)CC1 85891361 573194021 /nfs/dbraw/zinc/19/40/21/573194021.db2.gz WGHHKHFHFDWTID-JTQLQIEISA-N 0 0 195.306 2.867 10 30 AFEERN C=C(C)[C@@]1(CC)CCCC1=O 238301290 573193156 /nfs/dbraw/zinc/19/31/56/573193156.db2.gz LZJHHSPABHJQHJ-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@@H](C#N)C1(O)CCC(C)(C)CC1 85894124 573193167 /nfs/dbraw/zinc/19/31/67/573193167.db2.gz GVNNHLJFKKXIMG-JTQLQIEISA-N 0 0 195.306 2.867 10 30 AFEERN CCC[C@H](O)[C@]1(C#N)CCC[C@H](C)C1 85890138 573193209 /nfs/dbraw/zinc/19/32/09/573193209.db2.gz RWEFAOKDZQRYRE-SDDRHHMPSA-N 0 0 195.306 2.867 10 30 AFEERN CCc1ccc([C@@H](O)[C@@H](C)C#N)s1 85889413 573193235 /nfs/dbraw/zinc/19/32/35/573193235.db2.gz ZIBUNCOAXMYOPS-XVKPBYJWSA-N 0 0 195.287 2.504 10 30 AFEERN CC1(C)CCC[C@](O)(C(C)(C)C#N)C1 85894280 573193287 /nfs/dbraw/zinc/19/32/87/573193287.db2.gz OYSODJOPZRKQHM-GFCCVEGCSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)C1CCC(C#N)([C@@H](C)O)CC1 85891091 573193310 /nfs/dbraw/zinc/19/33/10/573193310.db2.gz KBJRXLHRQOSICI-VOMCLLRMSA-N 0 0 195.306 2.723 10 30 AFEERN C=C(C)[C@@]1(CC)CC[C@@H](C)C1=O 238301299 573193311 /nfs/dbraw/zinc/19/33/11/573193311.db2.gz LIDVOCZAAJLUFG-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN SCc1ccc2c(c1)SCCN2 259364502 573193338 /nfs/dbraw/zinc/19/33/38/573193338.db2.gz ZRXXQIXSIUIJFA-UHFFFAOYSA-N 0 0 197.328 2.634 10 30 AFEERN CC[C@@H]1CCC[C@@](O)(C(C)(C)C#N)C1 85893961 573193355 /nfs/dbraw/zinc/19/33/55/573193355.db2.gz PVCYGEYTKVLFEP-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN N#CC1([C@@H](O)C2CCCC2)CCCC1 85889755 573193989 /nfs/dbraw/zinc/19/39/89/573193989.db2.gz PMDCUCJAHPIMBC-NSHDSACASA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@H](C#N)C1(O)CCC(C)(C)CC1 85894129 573193386 /nfs/dbraw/zinc/19/33/86/573193386.db2.gz GVNNHLJFKKXIMG-SNVBAGLBSA-N 0 0 195.306 2.867 10 30 AFEERN CC1=C2[C@H](C=O)CC[C@@H](C)[C@H]2CC1 142244386 573193439 /nfs/dbraw/zinc/19/34/39/573193439.db2.gz GPYDXUZTYMFYAZ-DVVUODLYSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cc([C@H](O)[C@@H](C)C#N)c(C)s1 85889643 573193445 /nfs/dbraw/zinc/19/34/45/573193445.db2.gz JMBUFGYQUANLJA-QUBYGPBYSA-N 0 0 195.287 2.558 10 30 AFEERN CC1(C)CCC[C@@](O)(C(C)(C)C#N)C1 85894283 573193489 /nfs/dbraw/zinc/19/34/89/573193489.db2.gz OYSODJOPZRKQHM-LBPRGKRZSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCCNc1ccc(N)cc1F 308515809 573193570 /nfs/dbraw/zinc/19/35/70/573193570.db2.gz FDKIHOPYXAWLKC-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN CC(C)(C)C[C@H](O)C1(C#N)CCCC1 85892774 573193594 /nfs/dbraw/zinc/19/35/94/573193594.db2.gz QREQXTYXCLOQNN-JTQLQIEISA-N 0 0 195.306 2.867 10 30 AFEERN Cc1cc([C@@H](O)[C@H](C)C#N)c(C)s1 85889652 573193650 /nfs/dbraw/zinc/19/36/50/573193650.db2.gz JMBUFGYQUANLJA-LDWIPMOCSA-N 0 0 195.287 2.558 10 30 AFEERN Cc1[nH]c2ccccc2c1[C@@H]1O[C@H]1C 259366200 573193690 /nfs/dbraw/zinc/19/36/90/573193690.db2.gz QLTOZHFWQMJYKX-QPUJVOFHSA-N 0 0 187.242 2.936 10 30 AFEERN CCC[C@H](O)[C@@]1(C#N)CCC[C@H](C)C1 85890147 573193716 /nfs/dbraw/zinc/19/37/16/573193716.db2.gz RWEFAOKDZQRYRE-SRVKXCTJSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1[nH]c2ccccc2c1[C@H]1O[C@H]1C 259366204 573193749 /nfs/dbraw/zinc/19/37/49/573193749.db2.gz QLTOZHFWQMJYKX-UFBFGSQYSA-N 0 0 187.242 2.936 10 30 AFEERN CC[C@@H](C#N)[C@]1(O)CCC[C@@H](CC)C1 85893997 573193750 /nfs/dbraw/zinc/19/37/50/573193750.db2.gz YLJPERCUIQCBLN-WOPDTQHZSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)(C)[C@@H](O)C1(C#N)CCCCC1 85892499 573193793 /nfs/dbraw/zinc/19/37/93/573193793.db2.gz XTYFJCGOCHTYMI-SNVBAGLBSA-N 0 0 195.306 2.867 10 30 AFEERN CCc1ccc([C@H](O)[C@@H](C)C#N)s1 85889410 573194014 /nfs/dbraw/zinc/19/40/14/573194014.db2.gz ZIBUNCOAXMYOPS-OIBJUYFYSA-N 0 0 195.287 2.504 10 30 AFEERN CCC[C@H](O)C1(C#N)CCCCC1 85890313 573194548 /nfs/dbraw/zinc/19/45/48/573194548.db2.gz NXWVOTBZNXNVEU-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)[C@H]1CC=CCC1 85890643 573194591 /nfs/dbraw/zinc/19/45/91/573194591.db2.gz FLYCWJYKABWMPI-SDDRHHMPSA-N 0 0 193.290 2.643 10 30 AFEERN CC[C@@H]1CCC[C@](O)(C(C)(C)C#N)C1 85893957 573194597 /nfs/dbraw/zinc/19/45/97/573194597.db2.gz PVCYGEYTKVLFEP-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN CCC[C@H](O)C1(C#N)CCC(C)CC1 85890309 573194613 /nfs/dbraw/zinc/19/46/13/573194613.db2.gz ORUZFQPHFVXLAZ-CXQJBGSLSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CC[C@@](C#N)([C@H](O)C(C)(C)C)C1 85892461 573194771 /nfs/dbraw/zinc/19/47/71/573194771.db2.gz SGYGYHNLURGNRU-CKYFFXLPSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H]1CCC[C@](C#N)([C@H](O)CC)C1 85891253 573194725 /nfs/dbraw/zinc/19/47/25/573194725.db2.gz GJEJHLNPGFPHFP-UTUOFQBUSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](O)C1(C#N)CCCCCC1 85891499 573194797 /nfs/dbraw/zinc/19/47/97/573194797.db2.gz ZKIKKMVXIFTJNU-JTQLQIEISA-N 0 0 181.279 2.621 10 30 AFEERN C=C[C@H](C)c1noc(/C=C\SC)n1 308301890 573194803 /nfs/dbraw/zinc/19/48/03/573194803.db2.gz LDHPKWZJNRFOBO-RBSILHGTSA-N 0 0 196.275 2.693 10 30 AFEERN CC[C@@H](O)C1(C#N)CCC(C)(C)CC1 85891365 573194831 /nfs/dbraw/zinc/19/48/31/573194831.db2.gz WGHHKHFHFDWTID-SNVBAGLBSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H]1CCC[C@](O)(C(C)(C)C#N)C1 85893959 573194860 /nfs/dbraw/zinc/19/48/60/573194860.db2.gz PVCYGEYTKVLFEP-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)C1CCC(C#N)([C@H](C)O)CC1 85891096 573194957 /nfs/dbraw/zinc/19/49/57/573194957.db2.gz KBJRXLHRQOSICI-UNXYVOJBSA-N 0 0 195.306 2.723 10 30 AFEERN CCc1ccc([C@@H](O)[C@H](C)C#N)s1 85889420 573195214 /nfs/dbraw/zinc/19/52/14/573195214.db2.gz ZIBUNCOAXMYOPS-XCBNKYQSSA-N 0 0 195.287 2.504 10 30 AFEERN CCc1ccc([C@H](O)[C@H](C)C#N)s1 85889417 573194985 /nfs/dbraw/zinc/19/49/85/573194985.db2.gz ZIBUNCOAXMYOPS-GMSGAONNSA-N 0 0 195.287 2.504 10 30 AFEERN C=C(CC)COC(=O)C[C@@H]1C[C@H]1C 308301519 573195000 /nfs/dbraw/zinc/19/50/00/573195000.db2.gz MFBZNVWHLIBFBC-ZJUUUORDSA-N 0 0 182.263 2.542 10 30 AFEERN CCC(C#N)(CC)N1CC(C(C)C)C1 308301314 573195011 /nfs/dbraw/zinc/19/50/11/573195011.db2.gz QIZWQEUCHNBQSD-UHFFFAOYSA-N 0 0 194.322 2.657 10 30 AFEERN CC[C@@H](C#N)[C@@]1(O)CCC[C@@H](CC)C1 85893990 573195099 /nfs/dbraw/zinc/19/50/99/573195099.db2.gz YLJPERCUIQCBLN-GRYCIOLGSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCCCCNc1ccnc(F)c1 308515472 573195129 /nfs/dbraw/zinc/19/51/29/573195129.db2.gz UXCHNJFAYIWLNG-UHFFFAOYSA-N 0 0 194.253 2.989 10 30 AFEERN CCCC1CCC(C#N)([C@H](C)O)CC1 85891069 573195138 /nfs/dbraw/zinc/19/51/38/573195138.db2.gz MOUUGAOHCNTOFI-UNXYVOJBSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1CCC[C@@](O)(C(C)(C)C#N)[C@@H]1C 85894876 573196777 /nfs/dbraw/zinc/19/67/77/573196777.db2.gz UYXDFMOUNWKZLG-FOGDFJRCSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H](C#N)[C@@]1(O)CCCC(C)(C)CC1 85895985 573196793 /nfs/dbraw/zinc/19/67/93/573196793.db2.gz PSKLRMDIDQGKTR-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CCC[C@H](C)CC1 85895856 573196822 /nfs/dbraw/zinc/19/68/22/573196822.db2.gz KKPUHTWXVHKCMD-TUAOUCFPSA-N 0 0 195.306 2.867 10 30 AFEERN CCc1ccc(O)c([C@@H](C)CC=O)c1 257966974 573196441 /nfs/dbraw/zinc/19/64/41/573196441.db2.gz CGOUOAJSLZFVOG-VIFPVBQESA-N 0 0 192.258 2.647 10 30 AFEERN C=C[C@@H](C=C(C)C)[C@@H](O)CC 238310316 573196482 /nfs/dbraw/zinc/19/64/82/573196482.db2.gz LAXHOIAFZIWAKF-UWVGGRQHSA-N 0 0 154.253 2.526 10 30 AFEERN Cc1cc(Cl)ccc1NCS 258580684 573196541 /nfs/dbraw/zinc/19/65/41/573196541.db2.gz FBZJMFSLQZTJCX-UHFFFAOYSA-N 0 0 187.695 2.948 10 30 AFEERN CC(C)O[C@@H](C#N)c1ccccc1 115483989 573196696 /nfs/dbraw/zinc/19/66/96/573196696.db2.gz DBDUQFDQSOFMQS-NSHDSACASA-N 0 0 175.231 2.676 10 30 AFEERN CC[C@@H](C#N)[C@H](O)C1CCC(C)CC1 85896462 573196708 /nfs/dbraw/zinc/19/67/08/573196708.db2.gz VRWJAMGMRBNDER-ADPBJBESSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)C[C@H](CC=O)C(C)(F)F 257959313 573196715 /nfs/dbraw/zinc/19/67/15/573196715.db2.gz XGFAPPVZBWWKNL-QMMMGPOBSA-N 0 0 178.222 2.893 10 30 AFEERN C=C[C@H](C)OC(=O)CC[C@@H](C)CC 308304236 573196732 /nfs/dbraw/zinc/19/67/32/573196732.db2.gz NNNXQXJAPIPXMJ-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN CC(C)(C#N)[C@@H](O)C1CCCCCC1 85896373 573196736 /nfs/dbraw/zinc/19/67/36/573196736.db2.gz IHKSLRWTIRSXJF-NSHDSACASA-N 0 0 195.306 2.867 10 30 AFEERN Cc1[nH]c2ccccc2c1[C@H]1O[C@@H]1C 259366191 573196758 /nfs/dbraw/zinc/19/67/58/573196758.db2.gz QLTOZHFWQMJYKX-PELKAZGASA-N 0 0 187.242 2.936 10 30 AFEERN C[C@@H]1CC[C@](O)(C(C)(C)C#N)[C@H](C)C1 85894969 573196832 /nfs/dbraw/zinc/19/68/32/573196832.db2.gz UDOKZFQSMZNHGU-CKYFFXLPSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@H]1CCC[C@@](C#N)(C2(O)CCC2)C1 85898160 573196848 /nfs/dbraw/zinc/19/68/48/573196848.db2.gz IEWMJFURLSOBGD-WDEREUQCSA-N 0 0 193.290 2.621 10 30 AFEERN CC(F)(F)c1cccc(CCC=O)c1 257967041 573196869 /nfs/dbraw/zinc/19/68/69/573196869.db2.gz CKCXXDUKTMHZDY-UHFFFAOYSA-N 0 0 198.212 2.930 10 30 AFEERN C/C=C\COc1ccc(C#N)c(C)c1 308306026 573196913 /nfs/dbraw/zinc/19/69/13/573196913.db2.gz LEWVSKWHYSWTLT-ARJAWSKDSA-N 0 0 187.242 2.822 10 30 AFEERN C[C@H]1CCC[C@](O)(C(C)(C)C#N)CC1 85895825 573196943 /nfs/dbraw/zinc/19/69/43/573196943.db2.gz ISUFYEPSQHJCLB-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN C=C1C(=O)C(C)(C)[C@]1(C)CC 238302765 573196969 /nfs/dbraw/zinc/19/69/69/573196969.db2.gz LXTCZPGAQVXBDP-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H]([C@@H](O)CC)[Si](C)(C)C 238310329 573197666 /nfs/dbraw/zinc/19/76/66/573197666.db2.gz KCOHVBWMPDVTCP-DTWKUNHWSA-N 0 0 172.344 2.652 10 30 AFEERN CC1CCC([C@@H](O)C(C)(C)C#N)CC1 85896444 573196998 /nfs/dbraw/zinc/19/69/98/573196998.db2.gz GASKRHZXIJYYLF-VQXHTEKXSA-N 0 0 195.306 2.723 10 30 AFEERN CO[C@H](C)CCc1ccc(C#N)cc1 259603267 573197033 /nfs/dbraw/zinc/19/70/33/573197033.db2.gz ZMENRQONGJMBPX-SNVBAGLBSA-N 0 0 189.258 2.526 10 30 AFEERN C[C@@H]1CCC[C@]1(O)C1(C#N)CCCC1 85895491 573197038 /nfs/dbraw/zinc/19/70/38/573197038.db2.gz AKXFIDQXBKDDQN-ZYHUDNBSSA-N 0 0 193.290 2.621 10 30 AFEERN CC[C@@H]1CC[C@](O)(C2(C#N)CCC2)C1 85894605 573197186 /nfs/dbraw/zinc/19/71/86/573197186.db2.gz FMQMESNNTSVCGQ-ZYHUDNBSSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H]1CCC[C@](O)(C(C)(C)C#N)[C@@H]1C 85894870 573197210 /nfs/dbraw/zinc/19/72/10/573197210.db2.gz UYXDFMOUNWKZLG-CKYFFXLPSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]1CCCC(=NNCC2CC2)C1 308304948 573197220 /nfs/dbraw/zinc/19/72/20/573197220.db2.gz NXXJLONZRSTGGR-SECBINFHSA-N 0 0 180.295 2.552 10 30 AFEERN CC[C@@H]1CC[C@](C#N)(C2(O)CCC2)C1 85898178 573197230 /nfs/dbraw/zinc/19/72/30/573197230.db2.gz PIJXDLRHEKDMCP-MNOVXSKESA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H]1CCC[C@@H]([C@H](O)C(C)(C)C#N)C1 85896510 573197264 /nfs/dbraw/zinc/19/72/64/573197264.db2.gz RKNGBFOHEMHBBX-MXWKQRLJSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@H](C#N)[C@H](O)C1CCCCCC1 85896399 573197349 /nfs/dbraw/zinc/19/73/49/573197349.db2.gz SPDRZKACWKQOBC-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@@H](C)OC(=O)CC[C@@H](C)CC 308304237 573197360 /nfs/dbraw/zinc/19/73/60/573197360.db2.gz NNNXQXJAPIPXMJ-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN CCc1ccc(O)c([C@H](C)CC=O)c1 257966972 573197484 /nfs/dbraw/zinc/19/74/84/573197484.db2.gz CGOUOAJSLZFVOG-SECBINFHSA-N 0 0 192.258 2.647 10 30 AFEERN C=CC[C@H](CC)OC(=O)[C@H](C)CC 308304978 573197515 /nfs/dbraw/zinc/19/75/15/573197515.db2.gz NZSXPIKJBGTZCK-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)CC[C@H](C)CC 308304235 573197581 /nfs/dbraw/zinc/19/75/81/573197581.db2.gz NNNXQXJAPIPXMJ-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN CC[C@H](C#N)C1(O)C[C@@H](C)C[C@H](C)C1 85894744 573197607 /nfs/dbraw/zinc/19/76/07/573197607.db2.gz ZXTQBXHXLYPHDM-GARJFASQSA-N 0 0 195.306 2.723 10 30 AFEERN C[C@@H]1CCC[C@](C#N)(C2(O)CCC2)C1 85898162 573197618 /nfs/dbraw/zinc/19/76/18/573197618.db2.gz IEWMJFURLSOBGD-MNOVXSKESA-N 0 0 193.290 2.621 10 30 AFEERN C/C=C\C(=O)[C@@H](C)C=C(C)C 225855605 573197712 /nfs/dbraw/zinc/19/77/12/573197712.db2.gz QGZXYLHPHJHWRF-UDIARPCQSA-N 0 0 152.237 2.734 10 30 AFEERN CC[C@H]1CC[C@](O)(C2(C#N)CCC2)C1 85894608 573197726 /nfs/dbraw/zinc/19/77/26/573197726.db2.gz FMQMESNNTSVCGQ-CMPLNLGQSA-N 0 0 193.290 2.621 10 30 AFEERN C=C[C@H](OC(=O)[C@H](C)CC)C1CC1 308251046 573197813 /nfs/dbraw/zinc/19/78/13/573197813.db2.gz BBHKWITZHNNIIK-SCZZXKLOSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@@H]1CCC[C@@](C#N)(C2(O)CCC2)C1 85898158 573197933 /nfs/dbraw/zinc/19/79/33/573197933.db2.gz IEWMJFURLSOBGD-GHMZBOCLSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@H]1CC[C@@H](C)C[C@@]1(O)C(C)(C)C#N 85895063 573197961 /nfs/dbraw/zinc/19/79/61/573197961.db2.gz PJZUPKAUOAGPSV-SCVCMEIPSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H]1CC[C@@](O)([C@](C)(C#N)CC)C1 85894508 573197978 /nfs/dbraw/zinc/19/79/78/573197978.db2.gz IYKCRBCKTVDJDJ-WOPDTQHZSA-N 0 0 195.306 2.867 10 30 AFEERN C=C(C)c1cccc2c1N(C)CC2 238314037 573197985 /nfs/dbraw/zinc/19/79/85/573197985.db2.gz OGIXNFUGYBEIPK-UHFFFAOYSA-N 0 0 173.259 2.712 10 30 AFEERN CC(C)(C#N)[C@H](O)C1CCCCCC1 85896370 573198099 /nfs/dbraw/zinc/19/80/99/573198099.db2.gz IHKSLRWTIRSXJF-LLVKDONJSA-N 0 0 195.306 2.867 10 30 AFEERN CCSc1cccc(C#N)c1F 238302721 573198672 /nfs/dbraw/zinc/19/86/72/573198672.db2.gz YAOBSNPNEZKPJL-UHFFFAOYSA-N 0 0 181.235 2.809 10 30 AFEERN C=CC[C@H](CC)OC(=O)[C@@H](C)CC 308304976 573198125 /nfs/dbraw/zinc/19/81/25/573198125.db2.gz NZSXPIKJBGTZCK-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN Cc1ccc(O)c([C@H](C)CC=O)c1F 257966965 573198131 /nfs/dbraw/zinc/19/81/31/573198131.db2.gz CGGWEIIZBPUWDO-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CCC[C@H](C)[C@@H]1C 85894914 573198169 /nfs/dbraw/zinc/19/81/69/573198169.db2.gz BOODMCQYHNDYKU-YFKTTZPYSA-N 0 0 195.306 2.723 10 30 AFEERN CC[C@@H]1CC[C@@](O)(C2(C#N)CCC2)C1 85894611 573198382 /nfs/dbraw/zinc/19/83/82/573198382.db2.gz FMQMESNNTSVCGQ-PWSUYJOCSA-N 0 0 193.290 2.621 10 30 AFEERN C[C@@H](C#N)[C@]1(O)CCCC(C)(C)CC1 85895980 573198584 /nfs/dbraw/zinc/19/85/84/573198584.db2.gz PSKLRMDIDQGKTR-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H]1C[C@@H](C)CC(O)(C(C)(C)C#N)C1 85894715 573198639 /nfs/dbraw/zinc/19/86/39/573198639.db2.gz TUZDJYXTMWAGDQ-NXEZZACHSA-N 0 0 195.306 2.723 10 30 AFEERN CC(C)(C)c1ccc2[nH]cc(C#N)c2n1 259370387 573201077 /nfs/dbraw/zinc/20/10/77/573201077.db2.gz OCCKVXNNNIFMPX-UHFFFAOYSA-N 0 0 199.257 2.732 10 30 AFEERN CCc1ccc(C#N)cc1CC 222885140 573201409 /nfs/dbraw/zinc/20/14/09/573201409.db2.gz IIXULRKXKAOSLV-UHFFFAOYSA-N 0 0 159.232 2.683 10 30 AFEERN Cc1cncc2cc(CC#N)ccc12 257968929 573201468 /nfs/dbraw/zinc/20/14/68/573201468.db2.gz COXMXDXGFKSVAA-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN C#CCNc1ccc(-c2ccco2)cc1 308852116 573201513 /nfs/dbraw/zinc/20/15/13/573201513.db2.gz RMVWUMIWNRYYCA-UHFFFAOYSA-N 0 0 197.237 2.992 10 30 AFEERN Cc1cc(Cl)c(F)c(C#N)c1F 257969035 573202279 /nfs/dbraw/zinc/20/22/79/573202279.db2.gz CQLHRCRVIGDESC-UHFFFAOYSA-N 0 0 187.576 2.798 10 30 AFEERN CC1(C)O[C@@H]1c1cc(F)ccc1F 259369692 573203669 /nfs/dbraw/zinc/20/36/69/573203669.db2.gz QQVBFQKAHVVNED-SECBINFHSA-N 0 0 184.185 2.815 10 30 AFEERN N#C[C@H](CF)C1CCCCC1 258484213 573203811 /nfs/dbraw/zinc/20/38/11/573203811.db2.gz JJJHBHPHXQJQGE-VIFPVBQESA-N 0 0 155.216 2.676 10 30 AFEERN C=CCC[C@@](C)(C#N)N[C@@H](C)CC 132083265 573204518 /nfs/dbraw/zinc/20/45/18/573204518.db2.gz UVSVYMIKENDIHU-QWRGUYRKSA-N 0 0 180.295 2.623 10 30 AFEERN C[C@H](CC=O)c1cccc2ncoc12 257964886 573206092 /nfs/dbraw/zinc/20/60/92/573206092.db2.gz CBXCHIFUHNGFAP-MRVPVSSYSA-N 0 0 189.214 2.520 10 30 AFEERN N#CCSc1ccc(N)c(Cl)c1 85937991 573207758 /nfs/dbraw/zinc/20/77/58/573207758.db2.gz QXGOUJXYRNLKTD-UHFFFAOYSA-N 0 0 198.678 2.538 10 30 AFEERN Cc1cccc2c1cc(CS)n2C 257964815 573206194 /nfs/dbraw/zinc/20/61/94/573206194.db2.gz YXTPVBOLXNUONL-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN C=C[C@H](C)Nc1cc(C)c(F)cc1N 235531409 573206377 /nfs/dbraw/zinc/20/63/77/573206377.db2.gz NEQLVFKEWRQVDV-QMMMGPOBSA-N 0 0 194.253 2.703 10 30 AFEERN C=C(C)c1cccc2c1CCN2C 238313060 573206597 /nfs/dbraw/zinc/20/65/97/573206597.db2.gz UISURYUEOCQEHV-UHFFFAOYSA-N 0 0 173.259 2.712 10 30 AFEERN Cc1ccc(N)cc1S[C@H](C)C#N 85935031 573206657 /nfs/dbraw/zinc/20/66/57/573206657.db2.gz KARPFMLOKGMXAT-MRVPVSSYSA-N 0 0 192.287 2.581 10 30 AFEERN C=C[C@@](C)(/C=C/C)[C@@H](O)CC 238312274 573206752 /nfs/dbraw/zinc/20/67/52/573206752.db2.gz QQMWNFZMLAMZOC-VCQGXKKCSA-N 0 0 154.253 2.526 10 30 AFEERN Cc1cc(S[C@H](C)C#N)ccc1N 85931756 573206789 /nfs/dbraw/zinc/20/67/89/573206789.db2.gz CZJFZVMRWIFXJT-MRVPVSSYSA-N 0 0 192.287 2.581 10 30 AFEERN Cc1ccc(N)cc1SCCC#N 85935346 573206846 /nfs/dbraw/zinc/20/68/46/573206846.db2.gz SQHPRMNDXPMXBI-UHFFFAOYSA-N 0 0 192.287 2.583 10 30 AFEERN C=CCSc1cc(F)ccc1N 85932874 573206891 /nfs/dbraw/zinc/20/68/91/573206891.db2.gz NVTKBHBUBJESDS-UHFFFAOYSA-N 0 0 183.251 2.686 10 30 AFEERN CCc1cc(CCC=O)c(F)cc1F 257965088 573207854 /nfs/dbraw/zinc/20/78/54/573207854.db2.gz CFPMVDQYEPTIAB-UHFFFAOYSA-N 0 0 198.212 2.659 10 30 AFEERN Cc1cc(SCCC#N)ccc1N 85931545 573207856 /nfs/dbraw/zinc/20/78/56/573207856.db2.gz ZPTLBSQSDBCSMU-UHFFFAOYSA-N 0 0 192.287 2.583 10 30 AFEERN C=C=C(CC=C)[C@H](O)CCCC 238794100 573207021 /nfs/dbraw/zinc/20/70/21/573207021.db2.gz HIVSWXJJLJKNBT-LLVKDONJSA-N 0 0 166.264 2.825 10 30 AFEERN CC[C@H](C=O)Cc1ccc(F)cc1F 107188547 573207131 /nfs/dbraw/zinc/20/71/31/573207131.db2.gz ZAZDDHYYXAGSOR-QMMMGPOBSA-N 0 0 198.212 2.732 10 30 AFEERN CC[C@H](O)[C@H](C)C#CC1=CCCCC1 238312726 573207166 /nfs/dbraw/zinc/20/71/66/573207166.db2.gz ZKQRCBFBBICWRU-YPMHNXCESA-N 0 0 192.302 2.897 10 30 AFEERN CCc1cc(C#N)cc2sncc12 238312819 573207182 /nfs/dbraw/zinc/20/71/82/573207182.db2.gz OLHXMYVDZNPCKI-UHFFFAOYSA-N 0 0 188.255 2.730 10 30 AFEERN CC#CCSc1cccc(C)c1N 85937211 573207207 /nfs/dbraw/zinc/20/72/07/573207207.db2.gz LYKXPIKVRCFQLV-UHFFFAOYSA-N 0 0 191.299 2.693 10 30 AFEERN C=C(C(F)(F)F)[C@@](C)(O)CC1CC1 308227256 573207249 /nfs/dbraw/zinc/20/72/49/573207249.db2.gz RCRGVZQOVJMYKA-QMMMGPOBSA-N 0 0 194.196 2.656 10 30 AFEERN N#CCSc1cc(N)ccc1Cl 85929502 573207288 /nfs/dbraw/zinc/20/72/88/573207288.db2.gz SVXVFPKXPDQDNU-UHFFFAOYSA-N 0 0 198.678 2.538 10 30 AFEERN COc1c(C)ccc(C#N)c1Cl 257964758 573207317 /nfs/dbraw/zinc/20/73/17/573207317.db2.gz CASOCJGCTJFXCE-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN Cc1cccc(S[C@H](C)C#N)c1N 85937045 573207369 /nfs/dbraw/zinc/20/73/69/573207369.db2.gz RBTKVROAFQCCOB-MRVPVSSYSA-N 0 0 192.287 2.581 10 30 AFEERN C#CCCSc1ccc(N)c(C)c1 85931722 573207434 /nfs/dbraw/zinc/20/74/34/573207434.db2.gz HDYALUWIVVGABU-UHFFFAOYSA-N 0 0 191.299 2.693 10 30 AFEERN CC(=O)C=CNc1ccc(C)cc1 222898060 573207491 /nfs/dbraw/zinc/20/74/91/573207491.db2.gz JBEYEKCSDRGXGV-BQYQJAHWSA-N 0 0 175.231 2.510 10 30 AFEERN C[C@@H](CC=O)c1cccc2ncoc12 257964891 573207548 /nfs/dbraw/zinc/20/75/48/573207548.db2.gz CBXCHIFUHNGFAP-QMMMGPOBSA-N 0 0 189.214 2.520 10 30 AFEERN Cc1ccc2cc(CS)n(C)c2c1 257964806 573207561 /nfs/dbraw/zinc/20/75/61/573207561.db2.gz YXTKAVWTJRLENI-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN Cc1ccc(N)c(S[C@H](C)C#N)c1 85930700 573210970 /nfs/dbraw/zinc/21/09/70/573210970.db2.gz SRBCAIQASZLLDT-MRVPVSSYSA-N 0 0 192.287 2.581 10 30 AFEERN Cc1cc(F)c(CCC=O)cc1C 257972726 573211337 /nfs/dbraw/zinc/21/13/37/573211337.db2.gz INVANVWKTYKINX-UHFFFAOYSA-N 0 0 180.222 2.574 10 30 AFEERN C=CCCc1ccc(O)c(C)c1 107487590 573209420 /nfs/dbraw/zinc/20/94/20/573209420.db2.gz MEEYTLMUHWOKDR-UHFFFAOYSA-N 0 0 162.232 2.819 10 30 AFEERN CC[C@@H](C)CON=Cc1ccoc1 308308807 573209556 /nfs/dbraw/zinc/20/95/56/573209556.db2.gz PUKXLDRFNBJNPW-SECBINFHSA-N 0 0 181.235 2.676 10 30 AFEERN CC[C@@H](C#N)Sc1cccc(N)c1 85928392 573209672 /nfs/dbraw/zinc/20/96/72/573209672.db2.gz NEQUPWWPMWYYSH-VIFPVBQESA-N 0 0 192.287 2.663 10 30 AFEERN CCc1cc(C#N)cc2cnsc12 238312765 573209755 /nfs/dbraw/zinc/20/97/55/573209755.db2.gz ZWUDFPNOVQWAHQ-UHFFFAOYSA-N 0 0 188.255 2.730 10 30 AFEERN C=CCC[C@@](C)(C#N)N[C@H](C)CC 132083058 573209856 /nfs/dbraw/zinc/20/98/56/573209856.db2.gz UVSVYMIKENDIHU-MNOVXSKESA-N 0 0 180.295 2.623 10 30 AFEERN C=C1C[C@@]2(CC)CCCC(=O)[C@@H]12 238313435 573209882 /nfs/dbraw/zinc/20/98/82/573209882.db2.gz HLQZTNIPMGHQEK-GHMZBOCLSA-N 0 0 164.248 2.712 10 30 AFEERN CNc1ccc(C2(C#N)CCC2)cc1 238312743 573209968 /nfs/dbraw/zinc/20/99/68/573209968.db2.gz GATDPHIRKMQFEZ-UHFFFAOYSA-N 0 0 186.258 2.674 10 30 AFEERN C=C(C)COC(=O)/C=C/C(C)=C/C 308308810 573209969 /nfs/dbraw/zinc/20/99/69/573209969.db2.gz PUMSVVLGVMQRAN-XYLIHAQWSA-N 0 0 180.247 2.628 10 30 AFEERN Cc1cccc(SCCC#N)c1N 85937294 573210032 /nfs/dbraw/zinc/21/00/32/573210032.db2.gz TYTWFKFCSGBZNO-UHFFFAOYSA-N 0 0 192.287 2.583 10 30 AFEERN CSc1cc(C#N)c(F)cc1C 257972740 573210179 /nfs/dbraw/zinc/21/01/79/573210179.db2.gz IOKRLLBGXNPPAN-UHFFFAOYSA-N 0 0 181.235 2.728 10 30 AFEERN CC[C@@H](C)n1ncc(C#N)c1C1CC1 259376539 573210224 /nfs/dbraw/zinc/21/02/24/573210224.db2.gz JOSZDUSZQBLINO-MRVPVSSYSA-N 0 0 189.262 2.603 10 30 AFEERN Cc1c(N)cccc1S[C@H](C)C#N 85934219 573210267 /nfs/dbraw/zinc/21/02/67/573210267.db2.gz ZKIHOXAJZDLNHQ-SSDOTTSWSA-N 0 0 192.287 2.581 10 30 AFEERN Cc1c(N)cccc1SCCC#N 85934483 573210310 /nfs/dbraw/zinc/21/03/10/573210310.db2.gz RTUKVDLGTISAOK-UHFFFAOYSA-N 0 0 192.287 2.583 10 30 AFEERN Cc1ccc(N)c(S[C@@H](C)C#N)c1 85930693 573210539 /nfs/dbraw/zinc/21/05/39/573210539.db2.gz SRBCAIQASZLLDT-QMMMGPOBSA-N 0 0 192.287 2.581 10 30 AFEERN N#Cc1c(F)cc(F)c(Cl)c1F 257970941 573210636 /nfs/dbraw/zinc/21/06/36/573210636.db2.gz CSVKAPACZHOHKZ-UHFFFAOYSA-N 0 0 191.539 2.629 10 30 AFEERN CC[C@H](C#N)Sc1cccc(N)c1 85928395 573210887 /nfs/dbraw/zinc/21/08/87/573210887.db2.gz NEQUPWWPMWYYSH-SECBINFHSA-N 0 0 192.287 2.663 10 30 AFEERN C=C[C@@H]([C@@H](O)CC)[Si](C)(C)C 238313617 573211174 /nfs/dbraw/zinc/21/11/74/573211174.db2.gz KCOHVBWMPDVTCP-IUCAKERBSA-N 0 0 172.344 2.652 10 30 AFEERN Cc1c(N)cccc1S[C@@H](C)C#N 85934217 573211187 /nfs/dbraw/zinc/21/11/87/573211187.db2.gz ZKIHOXAJZDLNHQ-ZETCQYMHSA-N 0 0 192.287 2.581 10 30 AFEERN C#CCCSc1cc(N)ccc1C 85935084 573211206 /nfs/dbraw/zinc/21/12/06/573211206.db2.gz IOEFJCXXXHDSIU-UHFFFAOYSA-N 0 0 191.299 2.693 10 30 AFEERN C[C@H](F)c1cccc(CCC=O)c1 257972703 573211292 /nfs/dbraw/zinc/21/12/92/573211292.db2.gz INKBXQUYDSVHNS-VIFPVBQESA-N 0 0 180.222 2.849 10 30 AFEERN CC[C@H](C)n1ncc(C#N)c1C1CC1 259376542 573213366 /nfs/dbraw/zinc/21/33/66/573213366.db2.gz JOSZDUSZQBLINO-QMMMGPOBSA-N 0 0 189.262 2.603 10 30 AFEERN C[C@@H](F)c1cccc(CCC=O)c1 257972701 573213507 /nfs/dbraw/zinc/21/35/07/573213507.db2.gz INKBXQUYDSVHNS-SECBINFHSA-N 0 0 180.222 2.849 10 30 AFEERN N#Cc1nc2ccc(C(F)F)cc2o1 306575156 573213638 /nfs/dbraw/zinc/21/36/38/573213638.db2.gz IWDMWAVDGSKWGQ-UHFFFAOYSA-N 0 0 194.140 2.637 10 30 AFEERN CC[C@H](C)CON=Cc1ccoc1 308308808 573213776 /nfs/dbraw/zinc/21/37/76/573213776.db2.gz PUKXLDRFNBJNPW-VIFPVBQESA-N 0 0 181.235 2.676 10 30 AFEERN C=C[C@H](C)Nc1ccc(F)c(C#N)c1 235523998 573213873 /nfs/dbraw/zinc/21/38/73/573213873.db2.gz OKGOJSZVOJNIDT-QMMMGPOBSA-N 0 0 190.221 2.684 10 30 AFEERN CCO[C@@H]1C[C@@H](C)CC[C@@H]1CC#N 259603588 573214664 /nfs/dbraw/zinc/21/46/64/573214664.db2.gz FJNUBCZLZKDMOU-HBNTYKKESA-N 0 0 181.279 2.741 10 30 AFEERN C=CCCSc1cc(C)nc(C)n1 308316314 573214666 /nfs/dbraw/zinc/21/46/66/573214666.db2.gz XBAVBDJTHWLJHD-UHFFFAOYSA-N 0 0 194.303 2.762 10 30 AFEERN C[C@@H]1CSc2cc(CC=O)ccc21 257974330 573216491 /nfs/dbraw/zinc/21/64/91/573216491.db2.gz GSYQDDDIATVGQN-MRVPVSSYSA-N 0 0 192.283 2.637 10 30 AFEERN C=C[C@@H]1CC[C@H](CC)[C@@H]1C(C)=O 238307653 573215752 /nfs/dbraw/zinc/21/57/52/573215752.db2.gz LKNVWUGEMUQCNF-OUAUKWLOSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)(C)c1nc(CS)cs1 259380048 573215768 /nfs/dbraw/zinc/21/57/68/573215768.db2.gz RVNJVXJHRDAVKH-UHFFFAOYSA-N 0 0 187.333 2.870 10 30 AFEERN CC[C@@]1(C)C(C)=C(C)C(=O)[C@@H]1C 238308142 573215935 /nfs/dbraw/zinc/21/59/35/573215935.db2.gz BRDGDDIDQWTUCW-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C)C1CCCC(=O)C1=O 238308406 573216254 /nfs/dbraw/zinc/21/62/54/573216254.db2.gz DJIZCZHDZHHIPW-ZETCQYMHSA-N 0 0 168.236 2.598 10 30 AFEERN CCO[C@@](C)(C=O)C1CCCCC1 257973028 573217569 /nfs/dbraw/zinc/21/75/69/573217569.db2.gz YTPUJMQOIFGBIG-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN O=C1C=Cc2sc(Cl)cc21 197211145 573217653 /nfs/dbraw/zinc/21/76/53/573217653.db2.gz NWGWPLUJNRZWLB-UHFFFAOYSA-N 0 0 170.620 2.611 10 30 AFEERN C=C[C@@]1(CC)C[C@]1(C=O)CC 238308781 573217689 /nfs/dbraw/zinc/21/76/89/573217689.db2.gz WNSGMHJXQMYXQL-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN CCCNC1(C#N)C[C@H](C)C[C@@H](C)C1 82831058 573217771 /nfs/dbraw/zinc/21/77/71/573217771.db2.gz PCOHCYZSFWISSM-GHMZBOCLSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@@H]1C[C@@H](C)CC(Cl)(C#N)C1 82832022 573217860 /nfs/dbraw/zinc/21/78/60/573217860.db2.gz YYNUFOAQWQKBEW-HTQZYQBOSA-N 0 0 171.671 2.944 10 30 AFEERN C=C1[C@H]2CCC(=O)[C@H]2CC1(C)C 197205108 573217878 /nfs/dbraw/zinc/21/78/78/573217878.db2.gz CDGRQBLQHQOEGI-BDAKNGLRSA-N 0 0 164.248 2.568 10 30 AFEERN CC[C@H](C)C1(C)C=CC(=O)C=C1 238308304 573218856 /nfs/dbraw/zinc/21/88/56/573218856.db2.gz ZQBQAZFLGCBLHF-VIFPVBQESA-N 0 0 164.248 2.734 10 30 AFEERN C=C1[C@@H]2CCC(=O)[C@@H]2CC1(C)C 197205123 573218595 /nfs/dbraw/zinc/21/85/95/573218595.db2.gz CDGRQBLQHQOEGI-DTWKUNHWSA-N 0 0 164.248 2.568 10 30 AFEERN CC[C@@]1(C)C(C)=C(C)C(=O)[C@H]1C 238308466 573219399 /nfs/dbraw/zinc/21/93/99/573219399.db2.gz BRDGDDIDQWTUCW-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@H](NCCC)C(F)(F)F 129067510 573219478 /nfs/dbraw/zinc/21/94/78/573219478.db2.gz JIRQVFXHEBNGTN-QMMMGPOBSA-N 0 0 195.228 2.883 10 30 AFEERN CCc1ccccc1C#CCC#N 238308840 573219497 /nfs/dbraw/zinc/21/94/97/573219497.db2.gz BHJPOCITXHEVFU-UHFFFAOYSA-N 0 0 169.227 2.514 10 30 AFEERN CC[C@@H](C)n1cc(C#N)c2ncccc21 259377433 573219694 /nfs/dbraw/zinc/21/96/94/573219694.db2.gz OOKKMMHFZRIRAR-SECBINFHSA-N 0 0 199.257 2.879 10 30 AFEERN Cc1coc2c1C1(CC1)[C@H](C#N)CC2 259603743 573219861 /nfs/dbraw/zinc/21/98/61/573219861.db2.gz FLQHASODLAIODF-VIFPVBQESA-N 0 0 187.242 2.706 10 30 AFEERN CC[C@H](C)CC(=O)/C=C/Cl 238308940 573219877 /nfs/dbraw/zinc/21/98/77/573219877.db2.gz CTCWOGJVFWGSLD-KPJROHGDSA-N 0 0 160.644 2.744 10 30 AFEERN C=CCC[C@@](C)(O)c1ccccc1F 132131653 573219894 /nfs/dbraw/zinc/21/98/94/573219894.db2.gz VNBMKRAUOHZYFI-GFCCVEGCSA-N 0 0 194.249 2.999 10 30 AFEERN CCCNC1(C#N)C[C@@H](C)C[C@H](C)C1 82831057 573219975 /nfs/dbraw/zinc/21/99/75/573219975.db2.gz PCOHCYZSFWISSM-QWRGUYRKSA-N 0 0 194.322 2.704 10 30 AFEERN C=C[C@@]1(CC)C[C@@]1(C=O)CC 238308810 573220046 /nfs/dbraw/zinc/22/00/46/573220046.db2.gz WNSGMHJXQMYXQL-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN N#Cc1cc2sc3c(c2o1)CCC3 259381800 573220108 /nfs/dbraw/zinc/22/01/08/573220108.db2.gz FMZXAHPOTMCEBD-UHFFFAOYSA-N 0 0 189.239 2.855 10 30 AFEERN C[C@@H](C#N)N(C)C1C[C@H](C)C[C@@H](C)C1 82832731 573220481 /nfs/dbraw/zinc/22/04/81/573220481.db2.gz GBBHUMAPBLUPLC-MXWKQRLJSA-N 0 0 194.322 2.655 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1ccc(F)c(F)c1 259036961 573221062 /nfs/dbraw/zinc/22/10/62/573221062.db2.gz SGGRPUNHVGHKKL-KCJUWKMLSA-N 0 0 193.196 2.982 10 30 AFEERN C=CCC[C@](C)(O)c1ccccc1F 132131871 573221114 /nfs/dbraw/zinc/22/11/14/573221114.db2.gz VNBMKRAUOHZYFI-LBPRGKRZSA-N 0 0 194.249 2.999 10 30 AFEERN CCC[C@@H](C#N)[C@](O)(CCC)C1CC1 308518417 573221128 /nfs/dbraw/zinc/22/11/28/573221128.db2.gz GJHSYCFTJGEXGI-RYUDHWBXSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@H]1C[C@H](C)CC2(CC(=O)C=CO2)C1 82832302 573221264 /nfs/dbraw/zinc/22/12/64/573221264.db2.gz XYERFCYXGOMWAP-UWVGGRQHSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@H]1CC(OCCC#N)C[C@H](C)C1 82834457 573221274 /nfs/dbraw/zinc/22/12/74/573221274.db2.gz QMBDVENJBSKTKK-NXEZZACHSA-N 0 0 181.279 2.741 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1ccc(F)c(F)c1 259036963 573221304 /nfs/dbraw/zinc/22/13/04/573221304.db2.gz SGGRPUNHVGHKKL-KWQFWETISA-N 0 0 193.196 2.982 10 30 AFEERN CC1=C[C@@H]2CCCC[C@H]2CC1=O 224846817 573221315 /nfs/dbraw/zinc/22/13/15/573221315.db2.gz UBCXDBJZCIXMCY-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN COc1c(C(F)F)ccc(C)c1C#N 257975025 573221351 /nfs/dbraw/zinc/22/13/51/573221351.db2.gz DFWSTPAGMJSBFO-UHFFFAOYSA-N 0 0 197.184 2.813 10 30 AFEERN CC1(C=NOCC(F)(F)F)CCC1 308318357 573221626 /nfs/dbraw/zinc/22/16/26/573221626.db2.gz XBHIWQRARWOKQU-UHFFFAOYSA-N 0 0 195.184 2.741 10 30 AFEERN C=CC[C@H](CCC1CCCCC1)NN 129126623 573222420 /nfs/dbraw/zinc/22/24/20/573222420.db2.gz GGLWSANTUOABBK-GFCCVEGCSA-N 0 0 196.338 2.755 10 30 AFEERN CCc1cc(C)ccc1CC#N 238320718 573221675 /nfs/dbraw/zinc/22/16/75/573221675.db2.gz ZYPDPNKJPHIUSE-UHFFFAOYSA-N 0 0 159.232 2.624 10 30 AFEERN CN[C@H](S)c1ccc(C)c(C)c1C 259382744 573221684 /nfs/dbraw/zinc/22/16/84/573221684.db2.gz LYPIYYCYUASXMR-LLVKDONJSA-N 0 0 195.331 2.760 10 30 AFEERN Cc1cccc([C@@H](C)C=O)c1C 115862116 573221897 /nfs/dbraw/zinc/22/18/97/573221897.db2.gz GNEYVIZQCGXVEV-VIFPVBQESA-N 0 0 162.232 2.606 10 30 AFEERN C[C@@H](CC=O)c1cncc2ccccc12 238413077 573221953 /nfs/dbraw/zinc/22/19/53/573221953.db2.gz AVJHJBFZFGMVLU-JTQLQIEISA-N 0 0 199.253 2.927 10 30 AFEERN CC1=C[C@H]2CCCC[C@H]2CC1=O 224846861 573221992 /nfs/dbraw/zinc/22/19/92/573221992.db2.gz UBCXDBJZCIXMCY-ZJUUUORDSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@]1(CC#N)CCCCCC1=O 238309095 573222025 /nfs/dbraw/zinc/22/20/25/573222025.db2.gz JIVKHQFLRXPBIE-LLVKDONJSA-N 0 0 179.263 2.830 10 30 AFEERN CCOc1cc(CS)ccc1OC 259603796 573222205 /nfs/dbraw/zinc/22/22/05/573222205.db2.gz VMBUVTCLPHOKII-UHFFFAOYSA-N 0 0 198.287 2.524 10 30 AFEERN CCCN[C@]1(C#N)CC[C@@H](C)[C@H](C)C1 82838030 573223305 /nfs/dbraw/zinc/22/33/05/573223305.db2.gz ODSREPFZQCBERX-IJLUTSLNSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H]1C[C@@](Cl)(C#N)CC[C@H]1C 82839178 573223497 /nfs/dbraw/zinc/22/34/97/573223497.db2.gz IXUOFMFELYSYQI-HRDYMLBCSA-N 0 0 171.671 2.944 10 30 AFEERN N#CC[C@@H]1CCO[C@@H]2CCCCC[C@@H]12 259603132 573223539 /nfs/dbraw/zinc/22/35/39/573223539.db2.gz GGQLSPRWDRRYMI-GRYCIOLGSA-N 0 0 193.290 2.885 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1ccc(F)c(F)c1 259036965 573223619 /nfs/dbraw/zinc/22/36/19/573223619.db2.gz SGGRPUNHVGHKKL-LDYMZIIASA-N 0 0 193.196 2.982 10 30 AFEERN CC(C)N[C@]1(C#N)CC[C@H](C)[C@@H](C)C1 82838037 573223660 /nfs/dbraw/zinc/22/36/60/573223660.db2.gz IHEDZGIKYMNKKB-SDDRHHMPSA-N 0 0 194.322 2.703 10 30 AFEERN CCC[C@H](C#N)[C@](O)(CCC)C1CC1 308518115 573223673 /nfs/dbraw/zinc/22/36/73/573223673.db2.gz GJHSYCFTJGEXGI-NEPJUHHUSA-N 0 0 195.306 2.867 10 30 AFEERN CCc1cc2c(cc(C#N)n2C)s1 259381911 573223751 /nfs/dbraw/zinc/22/37/51/573223751.db2.gz FPZDQEIPPGQXDH-UHFFFAOYSA-N 0 0 190.271 2.674 10 30 AFEERN N#CC[C@@H]1CCO[C@@H]2CCCCC[C@H]12 259603137 573224495 /nfs/dbraw/zinc/22/44/95/573224495.db2.gz GGQLSPRWDRRYMI-IJLUTSLNSA-N 0 0 193.290 2.885 10 30 AFEERN C#Cc1ccc2ccccc2c1NC 238322010 573226636 /nfs/dbraw/zinc/22/66/36/573226636.db2.gz PTXYGILWFIBWHO-UHFFFAOYSA-N 0 0 181.238 2.863 10 30 AFEERN N#Cc1cc2c(C3CC3)nsc2o1 259384582 573226244 /nfs/dbraw/zinc/22/62/44/573226244.db2.gz PFKQPFCRKQYCLM-UHFFFAOYSA-N 0 0 190.227 2.638 10 30 AFEERN CC1(C)CCC[C@@]2(C[C@H]2C=O)C1 258598184 573226287 /nfs/dbraw/zinc/22/62/87/573226287.db2.gz USIIBNFYQXGZSU-GXSJLCMTSA-N 0 0 166.264 2.792 10 30 AFEERN CCCC1CCC(O)(CCC=O)CC1 308519554 573226298 /nfs/dbraw/zinc/22/62/98/573226298.db2.gz HAICCSZPNAWOKQ-UHFFFAOYSA-N 0 0 198.306 2.687 10 30 AFEERN CC1=C(Cc2ccco2)C(=O)CC1 104835636 573226381 /nfs/dbraw/zinc/22/63/81/573226381.db2.gz KJTLXXQZGKDYMX-UHFFFAOYSA-N 0 0 176.215 2.502 10 30 AFEERN CC(C)N[C@]1(C#N)CC[C@@H](C)[C@@H](C)C1 82838035 573226473 /nfs/dbraw/zinc/22/64/73/573226473.db2.gz IHEDZGIKYMNKKB-GRYCIOLGSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@H]1C[C@@H](C#N)CC[C@H]1C 82836406 573226482 /nfs/dbraw/zinc/22/64/82/573226482.db2.gz YJVGNQLRSCOXHP-VGMNWLOBSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H]1C[C@H](OCCC#N)CC[C@H]1C 82840699 573226614 /nfs/dbraw/zinc/22/66/14/573226614.db2.gz JMKCJXQCZJSEHC-OUAUKWLOSA-N 0 0 181.279 2.741 10 30 AFEERN C=CCC[C@@](C)(O)c1cccs1 132146059 573227167 /nfs/dbraw/zinc/22/71/67/573227167.db2.gz QGERIVCJBBKSKV-SNVBAGLBSA-N 0 0 182.288 2.922 10 30 AFEERN C[C@H]1CC[C@]2(CC(=O)C=CO2)C[C@@H]1C 82839426 573227200 /nfs/dbraw/zinc/22/72/00/573227200.db2.gz YHTWDHKRMIMVDW-JBLDHEPKSA-N 0 0 194.274 2.684 10 30 AFEERN C#CCc1sc(Cl)nc1Cl 642880376 573227291 /nfs/dbraw/zinc/22/72/91/573227291.db2.gz ZCVIUCSMLPXQEL-UHFFFAOYSA-N 0 0 192.070 2.626 10 30 AFEERN C=C(CC)CN[C@H](C(F)F)C1CC1 308312284 573227312 /nfs/dbraw/zinc/22/73/12/573227312.db2.gz SFLKAVPMHQMFQO-VIFPVBQESA-N 0 0 189.249 2.586 10 30 AFEERN C[C@H]1C[C@](Cl)(C#N)CC[C@H]1C 82839182 573227455 /nfs/dbraw/zinc/22/74/55/573227455.db2.gz IXUOFMFELYSYQI-VGMNWLOBSA-N 0 0 171.671 2.944 10 30 AFEERN CC#CCCc1ccc(O)cc1C 107490000 573228374 /nfs/dbraw/zinc/22/83/74/573228374.db2.gz PXQQLWHBXWOIAB-UHFFFAOYSA-N 0 0 174.243 2.657 10 30 AFEERN C=C(CC)CN[C@@H](C(F)F)C1CC1 308312283 573228409 /nfs/dbraw/zinc/22/84/09/573228409.db2.gz SFLKAVPMHQMFQO-SECBINFHSA-N 0 0 189.249 2.586 10 30 AFEERN COc1cc(C)c([C@@H]2O[C@@H]2C)cc1C 259387204 573228483 /nfs/dbraw/zinc/22/84/83/573228483.db2.gz RKNSCSCGPZTHRR-BXKDBHETSA-N 0 0 192.258 2.772 10 30 AFEERN C=CCC[C@@](C)(O)CCCC 132143560 573228155 /nfs/dbraw/zinc/22/81/55/573228155.db2.gz WCFLIWXMQADLII-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN COc1c(Cl)cccc1[C@@H](C)C=O 107189103 573228159 /nfs/dbraw/zinc/22/81/59/573228159.db2.gz SAHSGAMUXVKCNF-ZETCQYMHSA-N 0 0 198.649 2.651 10 30 AFEERN CC(C)[C@H](C#N)CNc1cccs1 259038213 573228277 /nfs/dbraw/zinc/22/82/77/573228277.db2.gz RBAWWPDHGLVYTJ-SECBINFHSA-N 0 0 194.303 2.956 10 30 AFEERN C/C=C\c1ccccc1OCC#N 308310998 573228279 /nfs/dbraw/zinc/22/82/79/573228279.db2.gz RIFSKVRDVSDVQC-DJWKRKHSSA-N 0 0 173.215 2.622 10 30 AFEERN C=CC[C@@H](C)n1ccnc1CC 715707992 573228280 /nfs/dbraw/zinc/22/82/80/573228280.db2.gz DFUGUAOTVYLBKI-SECBINFHSA-N 0 0 164.252 2.583 10 30 AFEERN CC(=O)/C=C\c1ccc(F)cc1F 115919777 573230632 /nfs/dbraw/zinc/23/06/32/573230632.db2.gz GHLZMZVZIRWHQY-IHWYPQMZSA-N 0 0 182.169 2.567 10 30 AFEERN C=C[C@@H](c1ccc(C)cc1)[C@@H](C)CO 308524746 573230755 /nfs/dbraw/zinc/23/07/55/573230755.db2.gz ASIGEWYSAAKIFY-WCQYABFASA-N 0 0 190.286 2.893 10 30 AFEERN C=C(C)C(=O)Cc1cc(F)cc(F)c1 86022457 573230758 /nfs/dbraw/zinc/23/07/58/573230758.db2.gz SAKOMEYFWBXIAN-UHFFFAOYSA-N 0 0 196.196 2.653 10 30 AFEERN C=C(C)[C@@H](O)C1CCCCCC1 86021754 573230909 /nfs/dbraw/zinc/23/09/09/573230909.db2.gz OJZQIJHUAIJUFE-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=C[C@@H](C/C=C/CO)c1ccccc1 238632610 573230917 /nfs/dbraw/zinc/23/09/17/573230917.db2.gz CHPHVZUDIYCIKE-SYTKJHMZSA-N 0 0 188.270 2.895 10 30 AFEERN CCc1nc2cc(CS)ccc2[nH]1 258601971 573230939 /nfs/dbraw/zinc/23/09/39/573230939.db2.gz NIBCMQPMARCWEY-UHFFFAOYSA-N 0 0 192.287 2.555 10 30 AFEERN CC1CCC(N2CCC[C@H]2C#N)CC1 82848542 573231120 /nfs/dbraw/zinc/23/11/20/573231120.db2.gz DFEOATNJKGIVMY-MCIGGMRASA-N 0 0 192.306 2.553 10 30 AFEERN C=C(C)[C@@]1(O)CCC[C@@H](CC)C1 86020620 573231325 /nfs/dbraw/zinc/23/13/25/573231325.db2.gz YDFBPRUNULRGGM-GHMZBOCLSA-N 0 0 168.280 2.894 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@@H](C)CC 308312815 573231367 /nfs/dbraw/zinc/23/13/67/573231367.db2.gz SLTZUMHBDAKAFI-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN CCN(CC#N)[C@@H]1CC[C@H](C)[C@H](C)C1 82841890 573231473 /nfs/dbraw/zinc/23/14/73/573231473.db2.gz AGJVOPYOBHYTQL-QJPTWQEYSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@H]1CC(C)(C)CC2=CC(=O)C[C@H]21 197225726 573231533 /nfs/dbraw/zinc/23/15/33/573231533.db2.gz RQOSXDFDKJPEJL-KWQFWETISA-N 0 0 178.275 2.958 10 30 AFEERN CC1CCC(N2CCC[C@@H]2C#N)CC1 82848541 573231539 /nfs/dbraw/zinc/23/15/39/573231539.db2.gz DFEOATNJKGIVMY-HTAVTVPLSA-N 0 0 192.306 2.553 10 30 AFEERN CCCN(CC#N)CC(CC)CC 129114240 573231707 /nfs/dbraw/zinc/23/17/07/573231707.db2.gz IEIYPSYXQGJTAI-UHFFFAOYSA-N 0 0 182.311 2.658 10 30 AFEERN C=C(C)C(=O)Cc1cccc(F)c1 86022401 573231797 /nfs/dbraw/zinc/23/17/97/573231797.db2.gz WKWZDBHDKKUENU-UHFFFAOYSA-N 0 0 178.206 2.513 10 30 AFEERN C=C(CCC=C(C)C)COC 197240162 573231820 /nfs/dbraw/zinc/23/18/20/573231820.db2.gz SGKNNSHVNCXQFM-UHFFFAOYSA-N 0 0 154.253 2.935 10 30 AFEERN C[C@H]1C[C@@H](N(C)[C@@H](C)C#N)CC[C@H]1C 82841895 573231822 /nfs/dbraw/zinc/23/18/22/573231822.db2.gz AJOXWTQMWWSCJF-RHYQMDGZSA-N 0 0 194.322 2.655 10 30 AFEERN N#Cc1c(F)cc(F)c2ccoc12 257977436 573231872 /nfs/dbraw/zinc/23/18/72/573231872.db2.gz JEXFTGINVAFDBX-UHFFFAOYSA-N 0 0 179.125 2.583 10 30 AFEERN N#C[C@@H]1c2cc(F)ccc2CC12CC2 259387031 573231882 /nfs/dbraw/zinc/23/18/82/573231882.db2.gz ACPLNWWENUQGFI-LLVKDONJSA-N 0 0 187.217 2.769 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C[C@@H](C)CC 308312816 573231905 /nfs/dbraw/zinc/23/19/05/573231905.db2.gz SLTZUMHBDAKAFI-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN C#CCCC(=O)C1=CC[C@@H](C)CC1 235547152 573232164 /nfs/dbraw/zinc/23/21/64/573232164.db2.gz FITAHODVNZUXOX-SNVBAGLBSA-N 0 0 176.259 2.715 10 30 AFEERN C=C(C)C(=O)Cc1ccc(F)cc1 86022258 573232064 /nfs/dbraw/zinc/23/20/64/573232064.db2.gz INLSWOZKNLXNFL-UHFFFAOYSA-N 0 0 178.206 2.513 10 30 AFEERN C=C(C)C(=O)c1ccsc1 86022230 573232139 /nfs/dbraw/zinc/23/21/39/573232139.db2.gz ULTCBMVHPFROHP-UHFFFAOYSA-N 0 0 152.218 2.507 10 30 AFEERN C=CCC[C@@](C)(O)CC(C)C 132159149 573232143 /nfs/dbraw/zinc/23/21/43/573232143.db2.gz BSCFLSJNXPZTCM-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN C=CC[C@@H](C)n1nc(C)cc1C 715709505 573232314 /nfs/dbraw/zinc/23/23/14/573232314.db2.gz MCMPOLAHVQMSQH-SECBINFHSA-N 0 0 164.252 2.637 10 30 AFEERN C=C(C)C(=O)c1cc(F)cc(F)c1 86022491 573232316 /nfs/dbraw/zinc/23/23/16/573232316.db2.gz RIWAZCJEZVKRRT-UHFFFAOYSA-N 0 0 182.169 2.724 10 30 AFEERN C=C[C@@](C)(O)Cc1ccc(Cl)cc1 235741747 573232343 /nfs/dbraw/zinc/23/23/43/573232343.db2.gz BAJDYYXZAMLSRP-LLVKDONJSA-N 0 0 196.677 2.820 10 30 AFEERN CC(=O)/C=C\c1cc(C)sc1C 217396996 573232472 /nfs/dbraw/zinc/23/24/72/573232472.db2.gz UQJPALFAVDRMNB-PLNGDYQASA-N 0 0 180.272 2.967 10 30 AFEERN C=C(C)C1(O)CCC(C)(C)CC1 86020702 573232475 /nfs/dbraw/zinc/23/24/75/573232475.db2.gz ZWKJKGFJHBPAOS-UHFFFAOYSA-N 0 0 168.280 2.894 10 30 AFEERN N#CC(F)(F)c1ccc2c(c1)CCC2 259039510 573232480 /nfs/dbraw/zinc/23/24/80/573232480.db2.gz SQCKRBVBIXDECX-UHFFFAOYSA-N 0 0 193.196 2.791 10 30 AFEERN C=C(C)C(=O)c1ccc(C)c(F)c1 86022322 573232515 /nfs/dbraw/zinc/23/25/15/573232515.db2.gz QYIPYCJYPXSTQE-UHFFFAOYSA-N 0 0 178.206 2.893 10 30 AFEERN C=CCC[C@@](C)(O)c1cncc(C)c1 132149453 573232532 /nfs/dbraw/zinc/23/25/32/573232532.db2.gz OVUPPZNKHKNHFG-GFCCVEGCSA-N 0 0 191.274 2.564 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C[C@H](C)CC 308312814 573232553 /nfs/dbraw/zinc/23/25/53/573232553.db2.gz SLTZUMHBDAKAFI-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@@H](c1ccc(C)cc1)[C@H](C)CO 308524743 573232674 /nfs/dbraw/zinc/23/26/74/573232674.db2.gz ASIGEWYSAAKIFY-DGCLKSJQSA-N 0 0 190.286 2.893 10 30 AFEERN CC1=CCC[C@@]1(C)CCC=O 197225800 573232682 /nfs/dbraw/zinc/23/26/82/573232682.db2.gz ILVSWJLTKPDQCC-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN COc1cc(C)c([C@@H]2O[C@H]2C)cc1C 259387208 573232766 /nfs/dbraw/zinc/23/27/66/573232766.db2.gz RKNSCSCGPZTHRR-JOYOIKCWSA-N 0 0 192.258 2.772 10 30 AFEERN C=C(C)[C@]1(O)CC[C@@H](C)[C@@H](C)C1 86020926 573232871 /nfs/dbraw/zinc/23/28/71/573232871.db2.gz XTBDMPWHUOUXET-VWYCJHECSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)C(=O)Cc1ccccc1F 86022465 573233063 /nfs/dbraw/zinc/23/30/63/573233063.db2.gz ABSVYASBSWESLT-UHFFFAOYSA-N 0 0 178.206 2.513 10 30 AFEERN CCCCCCC[C@](C)(O)CC=O 91467751 573234085 /nfs/dbraw/zinc/23/40/85/573234085.db2.gz VNBGVBDWFPGABY-NSHDSACASA-N 0 0 186.295 2.687 10 30 AFEERN C=CCCC(=O)/C=C\[C@@H](O)CCCC 215111192 573233077 /nfs/dbraw/zinc/23/30/77/573233077.db2.gz SXJPCJCWYGEDMD-PRDAAYKISA-N 0 0 196.290 2.629 10 30 AFEERN C/C=C/[Si](C)(C)CCCC=O 197228262 573233097 /nfs/dbraw/zinc/23/30/97/573233097.db2.gz MLVWNRSQXHKTDU-XBXARRHUSA-N 0 0 170.328 2.789 10 30 AFEERN C=C(C)CC[C@H](O)[C@H]1C[C@@H]1CC 387698506 573233103 /nfs/dbraw/zinc/23/31/03/573233103.db2.gz AIBLMNPGTJNQNM-DCAQKATOSA-N 0 0 168.280 2.750 10 30 AFEERN C=CCc1cccc(C)c1NC 238322759 573233121 /nfs/dbraw/zinc/23/31/21/573233121.db2.gz UNNZQLMNOPXQAO-UHFFFAOYSA-N 0 0 161.248 2.765 10 30 AFEERN CC1=CCC[C@]1(C)CCC=O 197225812 573233169 /nfs/dbraw/zinc/23/31/69/573233169.db2.gz ILVSWJLTKPDQCC-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C(C)C(=O)Cc1ccccc1C 86022515 573233312 /nfs/dbraw/zinc/23/33/12/573233312.db2.gz FTFUDZGTLPGKOV-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN C[C@H]1C[C@H](CC=O)CC[C@H]1C 82844484 573233429 /nfs/dbraw/zinc/23/34/29/573233429.db2.gz WPWVKWWXBLCEQS-UTLUCORTSA-N 0 0 154.253 2.648 10 30 AFEERN C=CC[C@H](C)n1nc(C)cc1C 715709512 573233442 /nfs/dbraw/zinc/23/34/42/573233442.db2.gz MCMPOLAHVQMSQH-VIFPVBQESA-N 0 0 164.252 2.637 10 30 AFEERN C=C[C@]1(C)C(=O)C[C@H]1CCCC 238794774 573233534 /nfs/dbraw/zinc/23/35/34/573233534.db2.gz GJBHCOJCIQGZOV-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H](NN)C(CCC)CCC 129109075 573233550 /nfs/dbraw/zinc/23/35/50/573233550.db2.gz NLEGTMAXVURQDK-NSHDSACASA-N 0 0 184.327 2.611 10 30 AFEERN C=CC[C@H](C)C(=O)c1ccsn1 715711877 573233556 /nfs/dbraw/zinc/23/35/56/573233556.db2.gz XTYNVGBKCLWICZ-ZETCQYMHSA-N 0 0 181.260 2.538 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@H](C)CC 308312817 573233579 /nfs/dbraw/zinc/23/35/79/573233579.db2.gz SLTZUMHBDAKAFI-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C=C[C@H](c1ccc(C)cc1)[C@H](C)CO 308524750 573233668 /nfs/dbraw/zinc/23/36/68/573233668.db2.gz ASIGEWYSAAKIFY-YPMHNXCESA-N 0 0 190.286 2.893 10 30 AFEERN CCCNc1[nH]c2ccccc2c1C#N 258602467 573233715 /nfs/dbraw/zinc/23/37/15/573233715.db2.gz AJTMVESSMKVFIZ-UHFFFAOYSA-N 0 0 199.257 2.861 10 30 AFEERN C=C(C)C1(O)CCC(CC)CC1 86018007 573233759 /nfs/dbraw/zinc/23/37/59/573233759.db2.gz QIFZFFPKAVKOER-UHFFFAOYSA-N 0 0 168.280 2.894 10 30 AFEERN CCC1=CC(=O)[C@@H](CC)C[C@@H]1C 238323615 573233809 /nfs/dbraw/zinc/23/38/09/573233809.db2.gz WYLOBJCMIBSANX-WPRPVWTQSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)CCC(C)C 86022480 573233904 /nfs/dbraw/zinc/23/39/04/573233904.db2.gz IXUUJNGXLWWNBZ-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@@H](C)C=NNCC1CCCC1 308315005 573233974 /nfs/dbraw/zinc/23/39/74/573233974.db2.gz UXJMDVWZWLEHII-SNVBAGLBSA-N 0 0 182.311 2.798 10 30 AFEERN O=CCCc1ccc(C(F)F)cc1 258072756 573234092 /nfs/dbraw/zinc/23/40/92/573234092.db2.gz MJLKRYVVEFOXLF-UHFFFAOYSA-N 0 0 184.185 2.756 10 30 AFEERN O=CCc1cc2c(Cl)cccc2o1 258242413 573234144 /nfs/dbraw/zinc/23/41/44/573234144.db2.gz QRNGDSDTJZEAFW-UHFFFAOYSA-N 0 0 194.617 2.828 10 30 AFEERN c1cc(CCON=C2CCC2)cs1 308323272 573235584 /nfs/dbraw/zinc/23/55/84/573235584.db2.gz CVHBAGUVTOQDNP-UHFFFAOYSA-N 0 0 195.287 2.847 10 30 AFEERN CCCCCNN=CC1(C)CCC1 308323177 573234873 /nfs/dbraw/zinc/23/48/73/573234873.db2.gz CUSNDXNHFSPTSC-UHFFFAOYSA-N 0 0 182.311 2.942 10 30 AFEERN CCc1cc2c(C#N)ccc(C)c2[nH]1 238314766 573237742 /nfs/dbraw/zinc/23/77/42/573237742.db2.gz LUBWEWQSLASIOZ-UHFFFAOYSA-N 0 0 184.242 2.910 10 30 AFEERN C=CCC[C@](C)(O)Cc1ccoc1 132185935 573237747 /nfs/dbraw/zinc/23/77/47/573237747.db2.gz NKYVRYGBFAOXBK-NSHDSACASA-N 0 0 180.247 2.539 10 30 AFEERN CC[C@H]1C[C@H](CC)C(C)=CC1=O 238324016 573237815 /nfs/dbraw/zinc/23/78/15/573237815.db2.gz PXTMNDRAPLXJKU-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)C(=O)[C@H]1CCC[C@@H](C)C1 86022563 573237730 /nfs/dbraw/zinc/23/77/30/573237730.db2.gz UTGJTSNZICUBTH-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@](C)(O)C1CCCC1 132168760 573237819 /nfs/dbraw/zinc/23/78/19/573237819.db2.gz STQIQBRVSVZSTA-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN CCC(C=NN1CCCCC1)CC 308323752 573237858 /nfs/dbraw/zinc/23/78/58/573237858.db2.gz DEVGKFAOWBYECH-UHFFFAOYSA-N 0 0 182.311 2.894 10 30 AFEERN C[C@]1(C2CCCC2)C[C@H]1C#N 259042353 573238630 /nfs/dbraw/zinc/23/86/30/573238630.db2.gz TXSXSBAWMDSJCG-VHSXEESVSA-N 0 0 149.237 2.726 10 30 AFEERN Cc1cccc([C@]2(C)C[C@H]2C#N)c1 259042064 573237911 /nfs/dbraw/zinc/23/79/11/573237911.db2.gz TVPVEQZSTSZGNF-RYUDHWBXSA-N 0 0 171.243 2.796 10 30 AFEERN CCC1CCC(C#N)(CCCO)CC1 308527495 573237927 /nfs/dbraw/zinc/23/79/27/573237927.db2.gz BMEREZQVPFKVFZ-UHFFFAOYSA-N 0 0 195.306 2.869 10 30 AFEERN C=C(C)C(=O)c1ccc2ncccc2c1 86022870 573238049 /nfs/dbraw/zinc/23/80/49/573238049.db2.gz ZYNQSCQJCGSEAD-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN C[C@@]1(C2CCCC2)C[C@@H]1C#N 259042357 573238066 /nfs/dbraw/zinc/23/80/66/573238066.db2.gz TXSXSBAWMDSJCG-ZJUUUORDSA-N 0 0 149.237 2.726 10 30 AFEERN C=CCC(=O)[C@@]1(OC)CCC[C@H](C)C1 159424971 573238091 /nfs/dbraw/zinc/23/80/91/573238091.db2.gz FPQIACCVBYEDBW-CMPLNLGQSA-N 0 0 196.290 2.727 10 30 AFEERN Cc1sc2cccc(C#N)c2c1C#N 306863386 573238095 /nfs/dbraw/zinc/23/80/95/573238095.db2.gz IPHIFZLOJPEJJQ-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN CON=C/C=C\c1ccc(Cl)cc1 308323737 573238134 /nfs/dbraw/zinc/23/81/34/573238134.db2.gz DEHMJOBCSMAITO-ULOZDEBXSA-N 0 0 195.649 2.985 10 30 AFEERN CCC(CC)CN(CC#N)C(C)C 129117454 573238324 /nfs/dbraw/zinc/23/83/24/573238324.db2.gz PVTMUVXTPQDLNW-UHFFFAOYSA-N 0 0 182.311 2.657 10 30 AFEERN C=C(C)C(=O)c1ccc(Cl)cc1N 86023099 573238383 /nfs/dbraw/zinc/23/83/83/573238383.db2.gz FOOXXPHPDSKWRB-UHFFFAOYSA-N 0 0 195.649 2.681 10 30 AFEERN CCc1cc2c(C)c(C#N)ccc2[nH]1 238314886 573238508 /nfs/dbraw/zinc/23/85/08/573238508.db2.gz VIWKEOFMLGWSQE-UHFFFAOYSA-N 0 0 184.242 2.910 10 30 AFEERN C=C(C)C(=O)c1nccc2ccccc12 86022973 573240372 /nfs/dbraw/zinc/24/03/72/573240372.db2.gz UMBYXJKHMDRKIY-UHFFFAOYSA-N 0 0 197.237 2.994 10 30 AFEERN C#CCCC[C@](C)(O)CCC=C 132190492 573240405 /nfs/dbraw/zinc/24/04/05/573240405.db2.gz CXHRATDYULMWDC-LLVKDONJSA-N 0 0 166.264 2.507 10 30 AFEERN CCc1cc2c(C#N)c(F)ccc2[nH]1 238314661 573240409 /nfs/dbraw/zinc/24/04/09/573240409.db2.gz LPCVZIVNNUIKGY-UHFFFAOYSA-N 0 0 188.205 2.741 10 30 AFEERN C=C(C)CC(=O)[C@@H]1CC[C@@H](C)C1 86023545 573240084 /nfs/dbraw/zinc/24/00/84/573240084.db2.gz PSRCENSFPUQVSU-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@@](C)(O)c1ccsc1 132175739 573240087 /nfs/dbraw/zinc/24/00/87/573240087.db2.gz JRGBGZPMDFCYJV-SNVBAGLBSA-N 0 0 182.288 2.922 10 30 AFEERN C#CCCC(=O)c1ccoc1Cl 236035782 573240099 /nfs/dbraw/zinc/24/00/99/573240099.db2.gz AQDHYIBFFXBPNC-UHFFFAOYSA-N 0 0 182.606 2.529 10 30 AFEERN C=CCC[C@@](C)(O)CC1CCOCC1 132179794 573240182 /nfs/dbraw/zinc/24/01/82/573240182.db2.gz ZRJLRKAWJMZVJC-GFCCVEGCSA-N 0 0 198.306 2.520 10 30 AFEERN C[C@@H]1CC[C@@H](C)[C@H](C#N)C1 82857510 573240290 /nfs/dbraw/zinc/24/02/90/573240290.db2.gz GATFDVNPVSEJDR-HLTSFMKQSA-N 0 0 137.226 2.582 10 30 AFEERN CC(=NOCC(F)F)C1CCCC1 308324730 573240312 /nfs/dbraw/zinc/24/03/12/573240312.db2.gz DUPRYADWMIQVRD-UHFFFAOYSA-N 0 0 191.221 2.834 10 30 AFEERN C=C(C)C(=O)[C@H]1CCc2ccccc21 86023647 573240319 /nfs/dbraw/zinc/24/03/19/573240319.db2.gz MUTWBVOQFWXVJV-LBPRGKRZSA-N 0 0 186.254 2.862 10 30 AFEERN C[C@H]1CC[C@@H](C)C[C@H]1C#N 82857508 573240336 /nfs/dbraw/zinc/24/03/36/573240336.db2.gz GATFDVNPVSEJDR-VGMNWLOBSA-N 0 0 137.226 2.582 10 30 AFEERN CC1CCC(CCC=O)CC1 82856563 573240348 /nfs/dbraw/zinc/24/03/48/573240348.db2.gz RGFSVOIYNNLGMC-UHFFFAOYSA-N 0 0 154.253 2.792 10 30 AFEERN C=C[C@](C)(/C=C/C)[C@@H](O)CC 238315782 573241260 /nfs/dbraw/zinc/24/12/60/573241260.db2.gz QQMWNFZMLAMZOC-AIYFBYTFSA-N 0 0 154.253 2.526 10 30 AFEERN CCCN[C@]1(C#N)CC[C@@H](C)C[C@@H]1C 82860172 573241120 /nfs/dbraw/zinc/24/11/20/573241120.db2.gz WFGCVEBJNBGICR-WOPDTQHZSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)N[C@]1(C#N)CC[C@@H](C)C[C@H]1C 82860182 573241204 /nfs/dbraw/zinc/24/12/04/573241204.db2.gz ZMUASIFGBQYATC-UTUOFQBUSA-N 0 0 194.322 2.703 10 30 AFEERN C[C@@H](F)/C=C\C(=O)c1ccccc1 215096322 573241961 /nfs/dbraw/zinc/24/19/61/573241961.db2.gz HAFUPFHDLVBZLY-UFGYOYAJSA-N 0 0 178.206 2.784 10 30 AFEERN C[C@@H]1CC[C@H](C#N)[C@H](C)C1 82857514 573241209 /nfs/dbraw/zinc/24/12/09/573241209.db2.gz CJEPMQBTHZQLLU-IWSPIJDZSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H]1CC[C@H](C)[C@H](C#N)C1 82857509 573241861 /nfs/dbraw/zinc/24/18/61/573241861.db2.gz GATFDVNPVSEJDR-CIUDSAMLSA-N 0 0 137.226 2.582 10 30 AFEERN CN(C)c1cccc(C(C)(C)C#N)c1 238315510 573241717 /nfs/dbraw/zinc/24/17/17/573241717.db2.gz XUWWRTULZGXKEZ-UHFFFAOYSA-N 0 0 188.274 2.554 10 30 AFEERN CC(C)[C@H](C)[C@H](C#N)NC1CCCC1 308521669 573241806 /nfs/dbraw/zinc/24/18/06/573241806.db2.gz SXKGMIHUZRHJAD-JQWIXIFHSA-N 0 0 194.322 2.703 10 30 AFEERN CCc1cc2c(C)ccc(C#N)c2[nH]1 238315185 573241933 /nfs/dbraw/zinc/24/19/33/573241933.db2.gz VAZDLABGGZDOLP-UHFFFAOYSA-N 0 0 184.242 2.910 10 30 AFEERN C=C(C)CCOC(=O)CCC1CC1 308321216 573242319 /nfs/dbraw/zinc/24/23/19/573242319.db2.gz BFNGWYUYXCBTFA-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCC(=O)OCC1CCCCC1 308321291 573242396 /nfs/dbraw/zinc/24/23/96/573242396.db2.gz BHRFYCPGBUZIKC-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CC(C)CC[C@@](O)(C1CC1)[C@H](C)C#N 308521613 573242399 /nfs/dbraw/zinc/24/23/99/573242399.db2.gz HYHRKOQTYBRXKS-PWSUYJOCSA-N 0 0 195.306 2.723 10 30 AFEERN C#C[C@H](CCCCC)[C@@H](O)C(C)C 215100208 573242528 /nfs/dbraw/zinc/24/25/28/573242528.db2.gz XHRHFPDMNBRDGV-NEPJUHHUSA-N 0 0 182.307 2.833 10 30 AFEERN C=CCC[C@@](C)(O)CC[C@H]1CCCO1 132210945 573242531 /nfs/dbraw/zinc/24/25/31/573242531.db2.gz YFZJALMWSQVQBN-VXGBXAGGSA-N 0 0 198.306 2.663 10 30 AFEERN C#C[C@@H](CCCCC)[C@@H](O)C(C)C 215100257 573243985 /nfs/dbraw/zinc/24/39/85/573243985.db2.gz XHRHFPDMNBRDGV-RYUDHWBXSA-N 0 0 182.307 2.833 10 30 AFEERN CC[C@@H](C#N)[C@@H](C#N)c1ccccc1 238315289 573243865 /nfs/dbraw/zinc/24/38/65/573243865.db2.gz JSKUTZSOTDMIRG-CMPLNLGQSA-N 0 0 184.242 2.844 10 30 AFEERN C[C@@H]1CC[C@@]2(CC(=O)C=CO2)[C@H](C)C1 82862280 573243914 /nfs/dbraw/zinc/24/39/14/573243914.db2.gz ZEWUTFGLDGOTAH-CKYFFXLPSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@@H]1CC[C@]2(CC(=O)C=CO2)[C@H](C)C1 82862282 573245191 /nfs/dbraw/zinc/24/51/91/573245191.db2.gz ZEWUTFGLDGOTAH-FOGDFJRCSA-N 0 0 194.274 2.684 10 30 AFEERN CCc1cc2c(F)c(C#N)ccc2[nH]1 238315685 573244746 /nfs/dbraw/zinc/24/47/46/573244746.db2.gz BYTHJWHRDFDOCZ-UHFFFAOYSA-N 0 0 188.205 2.741 10 30 AFEERN CCc1cc2c(C)cc(C#N)cc2[nH]1 238315077 573244822 /nfs/dbraw/zinc/24/48/22/573244822.db2.gz WNKFRMIMSIYHHR-UHFFFAOYSA-N 0 0 184.242 2.910 10 30 AFEERN N#CCCCc1ccc2ncoc2c1 259044057 573244853 /nfs/dbraw/zinc/24/48/53/573244853.db2.gz DASCCTFOQBZTLH-UHFFFAOYSA-N 0 0 186.214 2.674 10 30 AFEERN CC[C@@H](C#N)c1nc2ccccc2[nH]1 238315761 573244890 /nfs/dbraw/zinc/24/48/90/573244890.db2.gz MYVHSZVZDMKSKM-QMMMGPOBSA-N 0 0 185.230 2.580 10 30 AFEERN ON=C1CCC(C(F)(F)F)CC1 82862698 573244902 /nfs/dbraw/zinc/24/49/02/573244902.db2.gz RCYGMACZTJRELU-UHFFFAOYSA-N 0 0 181.157 2.569 10 30 AFEERN C=CCC[C@@](C)(O)CC[C@@H]1CCCO1 132210499 573244942 /nfs/dbraw/zinc/24/49/42/573244942.db2.gz YFZJALMWSQVQBN-NWDGAFQWSA-N 0 0 198.306 2.663 10 30 AFEERN C[C@H]1CC[C@@H](C)C[C@@]12CC(=O)C=CO2 82862284 573244995 /nfs/dbraw/zinc/24/49/95/573244995.db2.gz NBOTUYQTXDQKEZ-JFGNBEQYSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@@H](OC)C1CCC1 715724116 573245155 /nfs/dbraw/zinc/24/51/55/573245155.db2.gz IMIIZKYHFVJOBG-SKDRFNHKSA-N 0 0 196.290 2.583 10 30 AFEERN CC[C@@H](C#N)c1ccc([C@H](C)O)cc1 238315640 573245243 /nfs/dbraw/zinc/24/52/43/573245243.db2.gz HREFDMSSTODALS-UWVGGRQHSA-N 0 0 189.258 2.757 10 30 AFEERN C=CCC[C@](C)(O)[C@H](C)CC 132206664 573245350 /nfs/dbraw/zinc/24/53/50/573245350.db2.gz ZATXKTQLIMKOJA-ZJUUUORDSA-N 0 0 156.269 2.750 10 30 AFEERN N#CC[C@@H](C(F)F)C1CCC1 258609526 573246238 /nfs/dbraw/zinc/24/62/38/573246238.db2.gz VRHYEHUDGLYHPN-SSDOTTSWSA-N 0 0 159.179 2.581 10 30 AFEERN C[C@@H]1CCC[C@@](Cl)(C#N)[C@@H]1C 82861950 573246298 /nfs/dbraw/zinc/24/62/98/573246298.db2.gz DLGOLHKNGVYDKR-IWSPIJDZSA-N 0 0 171.671 2.944 10 30 AFEERN CC(C)c1oc(CC#N)nc1Cl 259390370 573246306 /nfs/dbraw/zinc/24/63/06/573246306.db2.gz AIQNANRTEMUXEO-UHFFFAOYSA-N 0 0 184.626 2.517 10 30 AFEERN C[C@@H]1CCC[C@]2(CC(=O)C=CO2)[C@@H]1C 82862288 573246366 /nfs/dbraw/zinc/24/63/66/573246366.db2.gz OLSCAEPRFZCQPD-FOGDFJRCSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@@H]1CCC[C@@]2(CC(=O)C=CO2)[C@@H]1C 82862290 573246441 /nfs/dbraw/zinc/24/64/41/573246441.db2.gz OLSCAEPRFZCQPD-CKYFFXLPSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@@]1(C=NOC2CCC2)CCCS1 308322739 573248009 /nfs/dbraw/zinc/24/80/09/573248009.db2.gz CLZVBOLJLDRKBU-JTQLQIEISA-N 0 0 199.319 2.827 10 30 AFEERN C/C(=N\C(C)C)c1ccccc1O 116207959 573248529 /nfs/dbraw/zinc/24/85/29/573248529.db2.gz PQMOAUFCOKAZLJ-FMIVXFBMSA-N 0 0 177.247 2.610 10 30 AFEERN Cc1c(-c2ccsc2)noc1C#N 259392752 573248611 /nfs/dbraw/zinc/24/86/11/573248611.db2.gz GNYBXRHXMPZJOJ-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN N#CC[C@H](C(F)F)C1CCC1 258609529 573247861 /nfs/dbraw/zinc/24/78/61/573247861.db2.gz VRHYEHUDGLYHPN-ZETCQYMHSA-N 0 0 159.179 2.581 10 30 AFEERN C[C@@H]1C[C@H]1CN=Nc1ccccc1 308322802 573248318 /nfs/dbraw/zinc/24/83/18/573248318.db2.gz COXDLSPGMWBEQF-ZJUUUORDSA-N 0 0 174.247 2.740 10 30 AFEERN CN(C)c1ccccc1C(C)(C)C#N 238316831 573248338 /nfs/dbraw/zinc/24/83/38/573248338.db2.gz HRBJBEDVNKIDIP-UHFFFAOYSA-N 0 0 188.274 2.554 10 30 AFEERN CC[C@H](C#N)N(C)CCCC(C)C 308321841 573248714 /nfs/dbraw/zinc/24/87/14/573248714.db2.gz ZDRVAUKYOYSESW-LLVKDONJSA-N 0 0 182.311 2.657 10 30 AFEERN SCc1ccn(C2CCCCC2)n1 82867497 573248851 /nfs/dbraw/zinc/24/88/51/573248851.db2.gz QOGCCFYDFSJDNA-UHFFFAOYSA-N 0 0 196.319 2.818 10 30 AFEERN C[C@H]1C[C@@H]1CN=Nc1ccccc1 308322801 573249048 /nfs/dbraw/zinc/24/90/48/573249048.db2.gz COXDLSPGMWBEQF-VHSXEESVSA-N 0 0 174.247 2.740 10 30 AFEERN C[C@H](CC=O)c1ccc(O)c(Cl)c1 258245219 573249793 /nfs/dbraw/zinc/24/97/93/573249793.db2.gz XCKUGTFRJZOWBJ-SSDOTTSWSA-N 0 0 198.649 2.738 10 30 AFEERN CCc1cc2cc(C#N)cc(C)c2[nH]1 238316611 573250058 /nfs/dbraw/zinc/25/00/58/573250058.db2.gz HSPSRGPNNPDHAE-UHFFFAOYSA-N 0 0 184.242 2.910 10 30 AFEERN SCc1nc(C2CCC2)cs1 259393331 573250079 /nfs/dbraw/zinc/25/00/79/573250079.db2.gz WNVWSIWUEJGHDT-UHFFFAOYSA-N 0 0 185.317 2.840 10 30 AFEERN C[C@@H]1C[C@@H]1CN=Nc1ccccc1 308322799 573250111 /nfs/dbraw/zinc/25/01/11/573250111.db2.gz COXDLSPGMWBEQF-NXEZZACHSA-N 0 0 174.247 2.740 10 30 AFEERN C=C(C)[C@]1(CC)C(=O)[C@H]2CC=C[C@@H]21 238316445 573250114 /nfs/dbraw/zinc/25/01/14/573250114.db2.gz YWBJXCYFSIVOLR-NHCYSSNCSA-N 0 0 176.259 2.734 10 30 AFEERN C[C@@H](S)c1ccc2c(c1)CCO2 259050172 573250167 /nfs/dbraw/zinc/25/01/67/573250167.db2.gz AQUSKGQNQBRCEI-SSDOTTSWSA-N 0 0 180.272 2.612 10 30 AFEERN C=CCCCOC(=O)C1CCCC1 308321656 573251104 /nfs/dbraw/zinc/25/11/04/573251104.db2.gz BPROVKCJMQXGDA-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCCCC(=O)OCCC(=C)C 308322112 573251160 /nfs/dbraw/zinc/25/11/60/573251160.db2.gz BZAQMSGOZAWELS-UHFFFAOYSA-N 0 0 182.263 2.852 10 30 AFEERN CNc1ccc2ccccc2c1C#N 238317890 573251333 /nfs/dbraw/zinc/25/13/33/573251333.db2.gz YJJHNSWUHBLJDE-UHFFFAOYSA-N 0 0 182.226 2.753 10 30 AFEERN CCC(CC)n1ccc(CS)n1 82867498 573251394 /nfs/dbraw/zinc/25/13/94/573251394.db2.gz NJMYRVPWNKPBQK-UHFFFAOYSA-N 0 0 184.308 2.674 10 30 AFEERN Cc1cc(C)c2c(c1)CC[C@H](C#N)N2 259393679 573253651 /nfs/dbraw/zinc/25/36/51/573253651.db2.gz AQUFGLNFRJQRMF-LLVKDONJSA-N 0 0 186.258 2.554 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H](C)CCCC 308328375 573252258 /nfs/dbraw/zinc/25/22/58/573252258.db2.gz HDAVESLPXHGEMU-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1ccccc1 259052514 573252363 /nfs/dbraw/zinc/25/23/63/573252363.db2.gz VMOUJJICMJQLSF-WDEREUQCSA-N 0 0 157.216 2.704 10 30 AFEERN Cc1cc(SC(C)C)cc(C#N)n1 306598294 573252489 /nfs/dbraw/zinc/25/24/89/573252489.db2.gz XIMNZDCLNKZFOG-UHFFFAOYSA-N 0 0 192.287 2.762 10 30 AFEERN CCC(C)(C)Oc1ccncc1C#N 306880503 573252566 /nfs/dbraw/zinc/25/25/66/573252566.db2.gz FYUGJUFKXURVTF-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN CC(C)(C#N)C(=O)c1ccccc1F 258612361 573252679 /nfs/dbraw/zinc/25/26/79/573252679.db2.gz ITJGWWVWOAMJKX-UHFFFAOYSA-N 0 0 191.205 2.558 10 30 AFEERN Cc1c(Cl)cccc1NCS 258613022 573252773 /nfs/dbraw/zinc/25/27/73/573252773.db2.gz IRYFPGSBQYPGSI-UHFFFAOYSA-N 0 0 187.695 2.948 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H](C)CCCC 308328373 573252960 /nfs/dbraw/zinc/25/29/60/573252960.db2.gz HDAVESLPXHGEMU-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CCN(CC)c1nc(CC)cs1 308328223 573253184 /nfs/dbraw/zinc/25/31/84/573253184.db2.gz HACUIVVKRSBXJQ-UHFFFAOYSA-N 0 0 196.319 2.718 10 30 AFEERN Cc1cc(C#N)cc(NCC(F)F)c1 306599396 573253463 /nfs/dbraw/zinc/25/34/63/573253463.db2.gz YNGXQNWXBQWKCW-UHFFFAOYSA-N 0 0 196.200 2.544 10 30 AFEERN CCC(=O)c1cccc(C#N)c1Cl 306595643 573254047 /nfs/dbraw/zinc/25/40/47/573254047.db2.gz LDSJOTCOLANWPS-UHFFFAOYSA-N 0 0 193.633 2.804 10 30 AFEERN C#CCCC(=O)c1ccc(Cl)o1 236042540 573254341 /nfs/dbraw/zinc/25/43/41/573254341.db2.gz DAYYUSMKGNDHKJ-UHFFFAOYSA-N 0 0 182.606 2.529 10 30 AFEERN Cc1c(O)c(C#N)cc2sccc12 306870806 573254403 /nfs/dbraw/zinc/25/44/03/573254403.db2.gz VTLPDPGQZZFAGU-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C[C@H](CC=O)c1ccc(O)cc1Cl 258260216 573254426 /nfs/dbraw/zinc/25/44/26/573254426.db2.gz YIWJNDMUADEDMF-SSDOTTSWSA-N 0 0 198.649 2.738 10 30 AFEERN CCCCC[C@@H]1[C@@H](C)[C@H]1C=O 387540211 573254490 /nfs/dbraw/zinc/25/44/90/573254490.db2.gz FVOKAVHQWLZJLV-OPRDCNLKSA-N 0 0 154.253 2.648 10 30 AFEERN CCc1ccsc1C1(C#N)CC1 238318906 573254496 /nfs/dbraw/zinc/25/44/96/573254496.db2.gz DGGPWYSXJNDRAA-UHFFFAOYSA-N 0 0 177.272 2.866 10 30 AFEERN COc1cc(C)c(C)cc1[C@H]1O[C@H]1C 259394589 573254500 /nfs/dbraw/zinc/25/45/00/573254500.db2.gz RWHBXVUGZKUNSQ-CABZTGNLSA-N 0 0 192.258 2.772 10 30 AFEERN COc1cc(C)c(C)cc1[C@H]1O[C@@H]1C 259394604 573254575 /nfs/dbraw/zinc/25/45/75/573254575.db2.gz RWHBXVUGZKUNSQ-SKDRFNHKSA-N 0 0 192.258 2.772 10 30 AFEERN CCC(=O)c1c(Cl)cccc1C#N 306596882 573254644 /nfs/dbraw/zinc/25/46/44/573254644.db2.gz NGDGFXZZCVPUDV-UHFFFAOYSA-N 0 0 193.633 2.804 10 30 AFEERN COc1c(C)cc(F)c(Cl)c1C#N 258250124 573254921 /nfs/dbraw/zinc/25/49/21/573254921.db2.gz XNEHQASXTYTVII-UHFFFAOYSA-N 0 0 199.612 2.668 10 30 AFEERN C=C(C)c1cccc(C(C)(C)CO)c1 257979193 573254947 /nfs/dbraw/zinc/25/49/47/573254947.db2.gz DNLDSEHKMFWNMT-UHFFFAOYSA-N 0 0 190.286 2.990 10 30 AFEERN CCOc1cccc([C@H](C)CC=O)c1 257979250 573254956 /nfs/dbraw/zinc/25/49/56/573254956.db2.gz DOGJTQPSXUOSNP-SNVBAGLBSA-N 0 0 192.258 2.778 10 30 AFEERN CCc1cc2cnsc2cc1C#N 238318820 573255057 /nfs/dbraw/zinc/25/50/57/573255057.db2.gz XFZPJPCHLVKIKS-UHFFFAOYSA-N 0 0 188.255 2.730 10 30 AFEERN C=C(C)CCC[C@H](C)CCOCC=O 238422171 573255347 /nfs/dbraw/zinc/25/53/47/573255347.db2.gz GAFJAAWIKZUMDM-LBPRGKRZSA-N 0 0 198.306 2.975 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1ccccc1 259052509 573255236 /nfs/dbraw/zinc/25/52/36/573255236.db2.gz VMOUJJICMJQLSF-MNOVXSKESA-N 0 0 157.216 2.704 10 30 AFEERN Cc1sc2cc(C#N)ccc2c1C#N 306880028 573255832 /nfs/dbraw/zinc/25/58/32/573255832.db2.gz FMPIWETWHRVIEC-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C#CCCCSCCC 116219226 573255854 /nfs/dbraw/zinc/25/58/54/573255854.db2.gz WNSQHESPZJUTDP-UHFFFAOYSA-N 0 0 142.267 2.543 10 30 AFEERN C[C@H]1CCC[C@H]2CCC(=O)C=C12 105334302 573255926 /nfs/dbraw/zinc/25/59/26/573255926.db2.gz CEVHCTQFDVNYDU-IUCAKERBSA-N 0 0 164.248 2.712 10 30 AFEERN O=CC/C=C\C[C@H]1CCCCS1 258260210 573256002 /nfs/dbraw/zinc/25/60/02/573256002.db2.gz RFZINRWWSAQZJU-SYBPUXJVSA-N 0 0 184.304 2.807 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1ccccc1 259052505 573256016 /nfs/dbraw/zinc/25/60/16/573256016.db2.gz VMOUJJICMJQLSF-GHMZBOCLSA-N 0 0 157.216 2.704 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H](C)CCCC 308328374 573256360 /nfs/dbraw/zinc/25/63/60/573256360.db2.gz HDAVESLPXHGEMU-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN Cc1cccc([C@H](C=O)[C@@H](C)F)c1 257980692 573256521 /nfs/dbraw/zinc/25/65/21/573256521.db2.gz ZQGOCBZEAMNNQS-MWLCHTKSSA-N 0 0 180.222 2.636 10 30 AFEERN C[C@@H](CC=O)c1ccc(O)cc1Cl 258260217 573256590 /nfs/dbraw/zinc/25/65/90/573256590.db2.gz YIWJNDMUADEDMF-ZETCQYMHSA-N 0 0 198.649 2.738 10 30 AFEERN Cc1c(CCC#N)ccc2cc[nH]c12 259399128 573257432 /nfs/dbraw/zinc/25/74/32/573257432.db2.gz GZZKYZXXJXODAT-UHFFFAOYSA-N 0 0 184.242 2.933 10 30 AFEERN Cc1coc(-c2occc2CC#N)c1 259398848 573257618 /nfs/dbraw/zinc/25/76/18/573257618.db2.gz BFRBOAHPWDCYEJ-UHFFFAOYSA-N 0 0 187.198 2.914 10 30 AFEERN C=CCCC(=O)OCc1cccs1 308322481 573257633 /nfs/dbraw/zinc/25/76/33/573257633.db2.gz CFOHYGUHUJOGLB-UHFFFAOYSA-N 0 0 196.271 2.758 10 30 AFEERN CCCC(=O)/C=C/C(C)(C)C 142323871 573258670 /nfs/dbraw/zinc/25/86/70/573258670.db2.gz NFWWKHVZELRMFQ-BQYQJAHWSA-N 0 0 154.253 2.958 10 30 AFEERN CCO[C@H](CC=O)CC1CCCC1 257980520 573259401 /nfs/dbraw/zinc/25/94/01/573259401.db2.gz ZOIOLBYMEBFKFX-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN CC[C@H](C)c1ccc(C(=O)C#N)cc1 259056838 573259423 /nfs/dbraw/zinc/25/94/23/573259423.db2.gz CJLIHMSHJHWROC-VIFPVBQESA-N 0 0 187.242 2.906 10 30 AFEERN Cc1cc(C#N)cc(CC#N)c1Cl 116312898 573259431 /nfs/dbraw/zinc/25/94/31/573259431.db2.gz PNUPFQKLFRNLPU-UHFFFAOYSA-N 0 0 190.633 2.586 10 30 AFEERN CC(F)(F)[C@@H](CC=O)C1CCC1 257981373 573259525 /nfs/dbraw/zinc/25/95/25/573259525.db2.gz ZSEXCEBEEIFQRY-QMMMGPOBSA-N 0 0 176.206 2.647 10 30 AFEERN Cc1ccccc1-c1cc[nH]c1C#N 259398845 573259680 /nfs/dbraw/zinc/25/96/80/573259680.db2.gz BFNGMTRAPSFWNA-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN C=CC[C@H](/C=C\OC)[C@H](C=C)[C@H](C)O 308531669 573260043 /nfs/dbraw/zinc/26/00/43/573260043.db2.gz CTRONWPGNZEBJD-RTLRYIEYSA-N 0 0 196.290 2.522 10 30 AFEERN CC[C@@H]1CCC2=C1CCCC2=O 142317681 573260957 /nfs/dbraw/zinc/26/09/57/573260957.db2.gz XYGYEJKIBSUODQ-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN CCc1cccc(C)c1NCCS 258614358 573260628 /nfs/dbraw/zinc/26/06/28/573260628.db2.gz IWLKHEBLMYRVNY-UHFFFAOYSA-N 0 0 195.331 2.899 10 30 AFEERN N#C[C@@H]1CCC2(CCCC2)C1 257982810 573260635 /nfs/dbraw/zinc/26/06/35/573260635.db2.gz JXFVHLQNNXPXGK-SECBINFHSA-N 0 0 149.237 2.870 10 30 AFEERN CC[C@H]1CCCC[C@H]1C=NO 401953834 573260697 /nfs/dbraw/zinc/26/06/97/573260697.db2.gz MVZWCXXHZNLCPO-IUCAKERBSA-N 0 0 155.241 2.663 10 30 AFEERN C=CC[C@H](C)C(=O)C[C@H]1CCSC1 715742009 573260723 /nfs/dbraw/zinc/26/07/23/573260723.db2.gz XKUYOWJBLOTBRY-VHSXEESVSA-N 0 0 198.331 2.911 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1C=NO 401953837 573260777 /nfs/dbraw/zinc/26/07/77/573260777.db2.gz MVZWCXXHZNLCPO-RKDXNWHRSA-N 0 0 155.241 2.663 10 30 AFEERN N#C[C@H]1CCC2(CCCC2)C1 257982814 573260943 /nfs/dbraw/zinc/26/09/43/573260943.db2.gz JXFVHLQNNXPXGK-VIFPVBQESA-N 0 0 149.237 2.870 10 30 AFEERN CC[C@@H](C#N)Cc1ccc(OC)cc1 259399321 573261525 /nfs/dbraw/zinc/26/15/25/573261525.db2.gz OANOOAZEMGGNEA-SNVBAGLBSA-N 0 0 189.258 2.787 10 30 AFEERN O=CCC[C@@H](O)C1CCCCCCC1 308531673 573261543 /nfs/dbraw/zinc/26/15/43/573261543.db2.gz CUAYEBAUDJUPQI-GFCCVEGCSA-N 0 0 198.306 2.687 10 30 AFEERN COC1=C[C@H](C(C)(C)C)CCC1=O 642884760 573261940 /nfs/dbraw/zinc/26/19/40/573261940.db2.gz RNSXGXOLEQNYAF-MRVPVSSYSA-N 0 0 182.263 2.542 10 30 AFEERN C[C@@H]1C[C@]1(C#N)c1ccc2c(c1)CCC2 259057538 573261734 /nfs/dbraw/zinc/26/17/34/573261734.db2.gz WERROBVSRLLWRH-QMTHXVAHSA-N 0 0 197.281 2.976 10 30 AFEERN C#CCCSCC1(CC#C)CCC1 308332570 573262142 /nfs/dbraw/zinc/26/21/42/573262142.db2.gz LOLRNUNIETWJSY-UHFFFAOYSA-N 0 0 192.327 2.937 10 30 AFEERN C=CCNc1[nH]c2ccccc2c1C#N 258613780 573262124 /nfs/dbraw/zinc/26/21/24/573262124.db2.gz BOSZKITUWLJFNI-UHFFFAOYSA-N 0 0 197.241 2.637 10 30 AFEERN C/C=C/Cc1ccc(CCC=O)cc1 308331863 573262149 /nfs/dbraw/zinc/26/21/49/573262149.db2.gz DERKMAMHPAJOEC-NSCUHMNNSA-N 0 0 188.270 2.937 10 30 AFEERN C=C(C)C[S@@](=O)Cc1ccccc1 142380363 573262340 /nfs/dbraw/zinc/26/23/40/573262340.db2.gz SVYRKYKYCAWCEK-ZDUSSCGKSA-N 0 0 194.299 2.511 10 30 AFEERN C=CC[C@@H](C)C(=O)C[C@@H]1CCSC1 715742013 573262364 /nfs/dbraw/zinc/26/23/64/573262364.db2.gz XKUYOWJBLOTBRY-ZJUUUORDSA-N 0 0 198.331 2.911 10 30 AFEERN CSc1ccc(F)cc1CCC=O 258260289 573262365 /nfs/dbraw/zinc/26/23/65/573262365.db2.gz YLHMZSXNLPQEFE-UHFFFAOYSA-N 0 0 198.262 2.679 10 30 AFEERN CCc1ccccc1[C@](C)(F)C=O 257983072 573264353 /nfs/dbraw/zinc/26/43/53/573264353.db2.gz ZWTQNCUQPNJLCG-LLVKDONJSA-N 0 0 180.222 2.633 10 30 AFEERN CC(C)CCOC/C=C\CS 211622272 573263340 /nfs/dbraw/zinc/26/33/40/573263340.db2.gz IFGGDYJRVKCWNR-ARJAWSKDSA-N 0 0 174.309 2.535 10 30 AFEERN N#CC1(C(=O)C2CCCCC2)CCC1 259056826 573263503 /nfs/dbraw/zinc/26/35/03/573263503.db2.gz CJIDMYAAAZSPLM-UHFFFAOYSA-N 0 0 191.274 2.830 10 30 AFEERN CSc1cc(CCC=O)ccc1F 258267889 573263564 /nfs/dbraw/zinc/26/35/64/573263564.db2.gz YXOBZWDCFNLEMG-UHFFFAOYSA-N 0 0 198.262 2.679 10 30 AFEERN C1CCC(CC[C@H]2CO2)CC1 116359506 573263672 /nfs/dbraw/zinc/26/36/72/573263672.db2.gz RPHVBCSBPLLDFV-JTQLQIEISA-N 0 0 154.253 2.746 10 30 AFEERN C/C=C(/C)C(=O)c1ccccc1 105435284 573263912 /nfs/dbraw/zinc/26/39/12/573263912.db2.gz AXOYGHVXGWFROM-OQFOIZHKSA-N 0 0 160.216 2.836 10 30 AFEERN C[C@@H]1CC=C2C(=O)CCC[C@@H]2C1 142457865 573264010 /nfs/dbraw/zinc/26/40/10/573264010.db2.gz CDFNVMZHCDHNPG-RKDXNWHRSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@@H](C)c1ccc(C(=O)C#N)cc1 259056834 573264041 /nfs/dbraw/zinc/26/40/41/573264041.db2.gz CJLIHMSHJHWROC-SECBINFHSA-N 0 0 187.242 2.906 10 30 AFEERN Cc1ccc(C)c(-c2c[nH]c(C#N)n2)c1 259053000 573264092 /nfs/dbraw/zinc/26/40/92/573264092.db2.gz IXBJTIMMBCWNPR-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN CC(C)C[C@@H](C=O)C(C)(F)F 258615718 573264133 /nfs/dbraw/zinc/26/41/33/573264133.db2.gz WFBPAOHHCYWRLM-ZETCQYMHSA-N 0 0 164.195 2.503 10 30 AFEERN CC[C@@H]1CCCC[C@H]1C=NO 401953829 573264184 /nfs/dbraw/zinc/26/41/84/573264184.db2.gz MVZWCXXHZNLCPO-BDAKNGLRSA-N 0 0 155.241 2.663 10 30 AFEERN C=CC[C@H](O)[C@H]1CC=C(C)C[C@@H]1C 142467154 573264201 /nfs/dbraw/zinc/26/42/01/573264201.db2.gz VFWGQSZDFUOMQP-SRVKXCTJSA-N 0 0 180.291 2.916 10 30 AFEERN C[C@H](c1ncc(CC#N)o1)C(C)(C)C 642886380 573264233 /nfs/dbraw/zinc/26/42/33/573264233.db2.gz KIHCZKBBUOAAFN-MRVPVSSYSA-N 0 0 192.262 2.890 10 30 AFEERN C=CC[C@H](/C=C/OC)[C@H](C=C)[C@@H](C)O 308531667 573264301 /nfs/dbraw/zinc/26/43/01/573264301.db2.gz CTRONWPGNZEBJD-CQJZOHSSSA-N 0 0 196.290 2.522 10 30 AFEERN C[C@@]12C=CC(O)=C(C=O)[C@H]1CC=CC2 105450971 573264497 /nfs/dbraw/zinc/26/44/97/573264497.db2.gz UDHIZUCNONJWJH-CHSRKAPTSA-N 0 0 190.242 2.540 10 30 AFEERN Cc1ccc(F)cc1[C@@H](C)CC=O 257986716 573266616 /nfs/dbraw/zinc/26/66/16/573266616.db2.gz KGNWCPRFVXFVLQ-VIFPVBQESA-N 0 0 180.222 2.827 10 30 AFEERN Cc1ccoc1-c1occc1CC#N 259400592 573264862 /nfs/dbraw/zinc/26/48/62/573264862.db2.gz BIWPWVIYWJQOFO-UHFFFAOYSA-N 0 0 187.198 2.914 10 30 AFEERN C=CCCC(=O)N[C@@H](C)C(C)(C)C 308336276 573266621 /nfs/dbraw/zinc/26/66/21/573266621.db2.gz ODDGWRNKFZLZHA-VIFPVBQESA-N 0 0 183.295 2.503 10 30 AFEERN Cc1ccc(F)cc1[C@H](C)CC=O 257986713 573265071 /nfs/dbraw/zinc/26/50/71/573265071.db2.gz KGNWCPRFVXFVLQ-SECBINFHSA-N 0 0 180.222 2.827 10 30 AFEERN N#C[C@H]1Cc2ccc(F)cc2C12CC2 259400573 573265149 /nfs/dbraw/zinc/26/51/49/573265149.db2.gz BIOOWQDGDBVBAK-SECBINFHSA-N 0 0 187.217 2.553 10 30 AFEERN Cc1occc1SCCC[C@H]1CO1 308340822 573265311 /nfs/dbraw/zinc/26/53/11/573265311.db2.gz QVDNBBKKTQVXNO-VIFPVBQESA-N 0 0 198.287 2.859 10 30 AFEERN CC(C)C[C@H](C=O)C(C)(F)F 258615715 573265431 /nfs/dbraw/zinc/26/54/31/573265431.db2.gz WFBPAOHHCYWRLM-SSDOTTSWSA-N 0 0 164.195 2.503 10 30 AFEERN N#Cc1sccc1-c1ccco1 259400494 573265508 /nfs/dbraw/zinc/26/55/08/573265508.db2.gz JTTLONWHHYKAMS-UHFFFAOYSA-N 0 0 175.212 2.880 10 30 AFEERN Cc1cc(Cl)c(C)c(C#N)c1 257986690 573265640 /nfs/dbraw/zinc/26/56/40/573265640.db2.gz KGFSXRWLOHWENB-UHFFFAOYSA-N 0 0 165.623 2.829 10 30 AFEERN CC(C)[C@H](C)c1ncc(CC#N)o1 642886399 573265880 /nfs/dbraw/zinc/26/58/80/573265880.db2.gz MWSBCIQZYTZNQY-QMMMGPOBSA-N 0 0 178.235 2.500 10 30 AFEERN CCc1cc(Cl)ccc1CC#N 238327056 573265894 /nfs/dbraw/zinc/26/58/94/573265894.db2.gz WDWJCGMHZMDPPR-UHFFFAOYSA-N 0 0 179.650 2.968 10 30 AFEERN C=CC[C@H](O)[C@H]1CC=C(C)C[C@H]1C 142466941 573266021 /nfs/dbraw/zinc/26/60/21/573266021.db2.gz VFWGQSZDFUOMQP-WOPDTQHZSA-N 0 0 180.291 2.916 10 30 AFEERN C#CCCCSC[C@H]1CCCCO1 308341364 573266036 /nfs/dbraw/zinc/26/60/36/573266036.db2.gz RCSBPMGMOVRJMH-LLVKDONJSA-N 0 0 198.331 2.702 10 30 AFEERN C[C@H]1CC=C2C(=O)CCC[C@H]2C1 142458498 573266176 /nfs/dbraw/zinc/26/61/76/573266176.db2.gz CDFNVMZHCDHNPG-IUCAKERBSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccsc1[C@@]1(C)C[C@@H]1C#N 259062947 573266191 /nfs/dbraw/zinc/26/61/91/573266191.db2.gz WWVZCSKSFITTAS-SCZZXKLOSA-N 0 0 177.272 2.858 10 30 AFEERN COc1cccc(C(F)(F)CC#N)c1 259061984 573266247 /nfs/dbraw/zinc/26/62/47/573266247.db2.gz WVUWPUKVTWTQRY-UHFFFAOYSA-N 0 0 197.184 2.701 10 30 AFEERN COc1ccc([C@@H]2OC2(C)C)cc1C 259062177 573266434 /nfs/dbraw/zinc/26/64/34/573266434.db2.gz ACSROIOGCOOHKK-NSHDSACASA-N 0 0 192.258 2.854 10 30 AFEERN N#C[C@@H]1Cc2ccc(F)cc2C12CC2 259400577 573266820 /nfs/dbraw/zinc/26/68/20/573266820.db2.gz BIOOWQDGDBVBAK-VIFPVBQESA-N 0 0 187.217 2.553 10 30 AFEERN Cc1ccsc1[C@]1(C)C[C@@H]1C#N 259062945 573266981 /nfs/dbraw/zinc/26/69/81/573266981.db2.gz WWVZCSKSFITTAS-PSASIEDQSA-N 0 0 177.272 2.858 10 30 AFEERN C#CCCCSC[C@@H]1CCCCO1 308341366 573267035 /nfs/dbraw/zinc/26/70/35/573267035.db2.gz RCSBPMGMOVRJMH-NSHDSACASA-N 0 0 198.331 2.702 10 30 AFEERN C/C=C\COc1ccccc1C#N 209617897 573267153 /nfs/dbraw/zinc/26/71/53/573267153.db2.gz VLLWKEJLDGBVRY-IHWYPQMZSA-N 0 0 173.215 2.513 10 30 AFEERN SC[C@H]1Cc2ccccc2S1 86099438 573267729 /nfs/dbraw/zinc/26/77/29/573267729.db2.gz VYIKBQDOSLCZPU-MRVPVSSYSA-N 0 0 182.313 2.633 10 30 AFEERN Cc1ccsc1[C@@]1(C)C[C@H]1C#N 259062951 573267260 /nfs/dbraw/zinc/26/72/60/573267260.db2.gz WWVZCSKSFITTAS-WPRPVWTQSA-N 0 0 177.272 2.858 10 30 AFEERN Cc1ccsc1[C@]1(C)C[C@H]1C#N 259062950 573267337 /nfs/dbraw/zinc/26/73/37/573267337.db2.gz WWVZCSKSFITTAS-WCBMZHEXSA-N 0 0 177.272 2.858 10 30 AFEERN C=CC[C@H](O)[C@@H]1CC=C(C)C[C@@H]1C 142467514 573267485 /nfs/dbraw/zinc/26/74/85/573267485.db2.gz VFWGQSZDFUOMQP-TUAOUCFPSA-N 0 0 180.291 2.916 10 30 AFEERN COc1ccc([C@H]2OC2(C)C)cc1C 259062175 573267572 /nfs/dbraw/zinc/26/75/72/573267572.db2.gz ACSROIOGCOOHKK-LLVKDONJSA-N 0 0 192.258 2.854 10 30 AFEERN Cc1occc1SCCC[C@@H]1CO1 308340821 573267612 /nfs/dbraw/zinc/26/76/12/573267612.db2.gz QVDNBBKKTQVXNO-SECBINFHSA-N 0 0 198.287 2.859 10 30 AFEERN N#CC[C@H]1Cc2ccccc2S1 86099390 573267814 /nfs/dbraw/zinc/26/78/14/573267814.db2.gz CLHMOLYURGKMQD-VIFPVBQESA-N 0 0 175.256 2.617 10 30 AFEERN CCC=NOC(=O)Nc1ccccc1 308341013 573267885 /nfs/dbraw/zinc/26/78/85/573267885.db2.gz BNBNPGHGBQURAM-UHFFFAOYSA-N 0 0 192.218 2.631 10 30 AFEERN N#Cc1cc2[nH]c(C3CC3)cc2s1 259400486 573267946 /nfs/dbraw/zinc/26/79/46/573267946.db2.gz JTOYPBXQBXHFOR-UHFFFAOYSA-N 0 0 188.255 2.978 10 30 AFEERN N#CC[C@@H]1Cc2ccccc2S1 86099393 573267982 /nfs/dbraw/zinc/26/79/82/573267982.db2.gz CLHMOLYURGKMQD-SECBINFHSA-N 0 0 175.256 2.617 10 30 AFEERN CC(C)[C@@H](C)c1ncc(CC#N)o1 642886398 573267989 /nfs/dbraw/zinc/26/79/89/573267989.db2.gz MWSBCIQZYTZNQY-MRVPVSSYSA-N 0 0 178.235 2.500 10 30 AFEERN SC[C@@H]1Cc2ccccc2S1 86099439 573268139 /nfs/dbraw/zinc/26/81/39/573268139.db2.gz VYIKBQDOSLCZPU-QMMMGPOBSA-N 0 0 182.313 2.633 10 30 AFEERN C[C@H]1CC=C2C(=O)CCC[C@@H]2C1 142458100 573268338 /nfs/dbraw/zinc/26/83/38/573268338.db2.gz CDFNVMZHCDHNPG-DTWKUNHWSA-N 0 0 164.248 2.712 10 30 AFEERN CCC/C(=N\O)c1ccccc1 105559374 573268740 /nfs/dbraw/zinc/26/87/40/573268740.db2.gz JDFNNPHDXMUFHJ-ZHACJKMWSA-N 0 0 163.220 2.665 10 30 AFEERN C=CC[C@H](C)[C@H]1CCCC1=O 715753963 573268746 /nfs/dbraw/zinc/26/87/46/573268746.db2.gz CPLKVTBXFLVHOY-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@]12C=CC(O)=C(C=O)[C@H]1CC=CC2 105450965 573268777 /nfs/dbraw/zinc/26/87/77/573268777.db2.gz UDHIZUCNONJWJH-WEZJSTAESA-N 0 0 190.242 2.540 10 30 AFEERN C=C(CC(=C)C(=C)C)C[C@H](C)O 238424464 573269371 /nfs/dbraw/zinc/26/93/71/573269371.db2.gz OGEZCGUIMUGPEE-NSHDSACASA-N 0 0 166.264 2.836 10 30 AFEERN COc1cccc(/C(C)=C\C(C)=O)c1 308338361 573269792 /nfs/dbraw/zinc/26/97/92/573269792.db2.gz HLBUEWQWLINBDP-CLFYSBASSA-N 0 0 190.242 2.688 10 30 AFEERN C=CC[C@@H]1C(=O)CC[C@@H]1CC 142453055 573270067 /nfs/dbraw/zinc/27/00/67/573270067.db2.gz RAFGPRUXSVETOI-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCCCn1ccc(C2CC2)n1 308339331 573270601 /nfs/dbraw/zinc/27/06/01/573270601.db2.gz PYAPOBMTFMKTHM-UHFFFAOYSA-N 0 0 176.263 2.727 10 30 AFEERN C=CCc1c(O)ccc2oc(C)nc12 142473146 573272612 /nfs/dbraw/zinc/27/26/12/573272612.db2.gz HYGFDVJHMGOTAY-UHFFFAOYSA-N 0 0 189.214 2.570 10 30 AFEERN Cc1cc(N)cc2cc(C#N)sc12 306889487 573272505 /nfs/dbraw/zinc/27/25/05/573272505.db2.gz TZJUZEAGPHCJSL-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN O=C1CCCC2=C1[C@H]1CCCC[C@H]1O2 105655786 573275091 /nfs/dbraw/zinc/27/50/91/573275091.db2.gz HIZIRXUBSWBAEY-WCBMZHEXSA-N 0 0 192.258 2.583 10 30 AFEERN C=CC[C@@H](C)[C@]1(C)CCC(=O)C1 715754328 573275031 /nfs/dbraw/zinc/27/50/31/573275031.db2.gz DEOIDHYYVLFUQX-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN COc1ccc([C@@H]2C[C@@]2(C)C#N)cc1 259064002 573275074 /nfs/dbraw/zinc/27/50/74/573275074.db2.gz XCCGWIAXDJNDBM-RYUDHWBXSA-N 0 0 187.242 2.712 10 30 AFEERN Cc1cc(F)c([C@@H](C)CC=O)cc1O 257989312 573275212 /nfs/dbraw/zinc/27/52/12/573275212.db2.gz FJVLXJWMIOKUPB-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN O=C1CCCC2=C1[C@@H]1CCCC[C@H]1O2 105655778 573275549 /nfs/dbraw/zinc/27/55/49/573275549.db2.gz HIZIRXUBSWBAEY-PSASIEDQSA-N 0 0 192.258 2.583 10 30 AFEERN C[C@@H](C#N)[C@@H]1CCc2occc2C1 259605613 573275580 /nfs/dbraw/zinc/27/55/80/573275580.db2.gz GTIROVXWBVIFED-DTWKUNHWSA-N 0 0 175.231 2.544 10 30 AFEERN C=CC[C@@H](C)C(=O)c1ccc(C)o1 715754393 573275590 /nfs/dbraw/zinc/27/55/90/573275590.db2.gz FFJHSKLFHCBCMC-MRVPVSSYSA-N 0 0 178.231 2.983 10 30 AFEERN CCc1cccc([C@@H](C)CC=O)c1 257991316 573278197 /nfs/dbraw/zinc/27/81/97/573278197.db2.gz KTGOYSAYIQUFMF-JTQLQIEISA-N 0 0 176.259 2.942 10 30 AFEERN CCc1ccc(O)c(C2(C#N)CC2)c1 238330229 573278228 /nfs/dbraw/zinc/27/82/28/573278228.db2.gz KMLUSHMLVREFOA-UHFFFAOYSA-N 0 0 187.242 2.510 10 30 AFEERN CCc1cccc([C@H](C)CC=O)c1 257991328 573278258 /nfs/dbraw/zinc/27/82/58/573278258.db2.gz KTGOYSAYIQUFMF-SNVBAGLBSA-N 0 0 176.259 2.942 10 30 AFEERN C=CC[C@H](C)[C@]1(C)CCC(=O)C1 715754324 573278324 /nfs/dbraw/zinc/27/83/24/573278324.db2.gz DEOIDHYYVLFUQX-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN CCc1csc(CCCS)n1 259399961 573278699 /nfs/dbraw/zinc/27/86/99/573278699.db2.gz VNNZHJZEFSWPOL-UHFFFAOYSA-N 0 0 187.333 2.568 10 30 AFEERN Cc1ccc(O)c(/C(=N\O)C(C)C)c1 105797627 573278720 /nfs/dbraw/zinc/27/87/20/573278720.db2.gz FOWQJTQVVSLNDK-QXMHVHEDSA-N 0 0 193.246 2.535 10 30 AFEERN C[C@@H](C#N)[C@H]1CCc2occc2C1 259605618 573278723 /nfs/dbraw/zinc/27/87/23/573278723.db2.gz GTIROVXWBVIFED-IUCAKERBSA-N 0 0 175.231 2.544 10 30 AFEERN C[C@@H](CC=O)c1cc(Cl)ccc1O 257990275 573280302 /nfs/dbraw/zinc/28/03/02/573280302.db2.gz BFYKXMNCSWYWJF-ZETCQYMHSA-N 0 0 198.649 2.738 10 30 AFEERN Cc1cc(F)c([C@@H](C)CC=O)cc1F 257991416 573280314 /nfs/dbraw/zinc/28/03/14/573280314.db2.gz FPWCDKJSEIIZEF-ZETCQYMHSA-N 0 0 198.212 2.966 10 30 AFEERN C#CCC[C@](O)(CCC(C)C)C1CC1 308537979 573281496 /nfs/dbraw/zinc/28/14/96/573281496.db2.gz LWNYYUZKMLBBTC-ZDUSSCGKSA-N 0 0 194.318 2.977 10 30 AFEERN CCc1ccc(CC(=O)C(C)=O)cc1 258619303 573282064 /nfs/dbraw/zinc/28/20/64/573282064.db2.gz PYDAFGOJGJCSHT-WQLSENKSSA-N 0 0 190.242 2.737 10 30 AFEERN C=CCCCC(=O)O[C@H]1C=CCC1 308344166 573282183 /nfs/dbraw/zinc/28/21/83/573282183.db2.gz TXDUCYUDLXSHSZ-JTQLQIEISA-N 0 0 180.247 2.605 10 30 AFEERN CC(C)CC[C@@]1(C)CCC[C@@H](C=O)O1 308537692 573282523 /nfs/dbraw/zinc/28/25/23/573282523.db2.gz MVWUDHDKSLNNPZ-NWDGAFQWSA-N 0 0 198.306 2.949 10 30 AFEERN C=CCCCC(=O)O[C@@H]1C=CCC1 308344167 573282707 /nfs/dbraw/zinc/28/27/07/573282707.db2.gz TXDUCYUDLXSHSZ-SNVBAGLBSA-N 0 0 180.247 2.605 10 30 AFEERN C#CCC[C@@](O)(CCC(C)C)C1CC1 308537978 573282904 /nfs/dbraw/zinc/28/29/04/573282904.db2.gz LWNYYUZKMLBBTC-CYBMUJFWSA-N 0 0 194.318 2.977 10 30 AFEERN C=C1CC/C(=C/CC(C)C)C1=O 116433305 573283492 /nfs/dbraw/zinc/28/34/92/573283492.db2.gz LQWFUXRDXHXPIX-POHAHGRESA-N 0 0 164.248 2.878 10 30 AFEERN C[C@]1(c2cccs2)C[C@@H]1C#N 259069130 573284102 /nfs/dbraw/zinc/28/41/02/573284102.db2.gz XWSWDKPEXJESSQ-APPZFPTMSA-N 0 0 163.245 2.549 10 30 AFEERN C=CC[C@@H](C)C(=O)c1cncc(F)c1 715756566 573285587 /nfs/dbraw/zinc/28/55/87/573285587.db2.gz JYNPRSATSFVWMP-MRVPVSSYSA-N 0 0 193.221 2.616 10 30 AFEERN Cc1nc(C2CCCC2)c(C#N)s1 259403889 573285899 /nfs/dbraw/zinc/28/58/99/573285899.db2.gz XRLGJVHZRHQIPX-UHFFFAOYSA-N 0 0 192.287 2.981 10 30 AFEERN N#CCCc1cc2[nH]ccc2cc1F 259402974 573286850 /nfs/dbraw/zinc/28/68/50/573286850.db2.gz HEFNKQLTQIKWQC-UHFFFAOYSA-N 0 0 188.205 2.763 10 30 AFEERN CCC(CC)COCCC[C@@H]1CO1 308344271 573286924 /nfs/dbraw/zinc/28/69/24/573286924.db2.gz TYVMFIYNWATXGX-LLVKDONJSA-N 0 0 186.295 2.618 10 30 AFEERN C=CCNN=CC1CCCCCC1 308344273 573286960 /nfs/dbraw/zinc/28/69/60/573286960.db2.gz TYXUKJIYBHRCQY-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN C[C@]1(c2cccs2)C[C@H]1C#N 259069132 573287101 /nfs/dbraw/zinc/28/71/01/573287101.db2.gz XWSWDKPEXJESSQ-CBAPKCEASA-N 0 0 163.245 2.549 10 30 AFEERN C[C@@]1(c2cccs2)C[C@H]1C#N 259069134 573287157 /nfs/dbraw/zinc/28/71/57/573287157.db2.gz XWSWDKPEXJESSQ-IONNQARKSA-N 0 0 163.245 2.549 10 30 AFEERN C=CC[C@H](C)C(=O)[C@@H]1CC12CC2 715757803 573287301 /nfs/dbraw/zinc/28/73/01/573287301.db2.gz LIZLWKFGSHIDCI-IUCAKERBSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1ccc(C#N)c(OC(C)C)c1C 257994037 573287324 /nfs/dbraw/zinc/28/73/24/573287324.db2.gz FUMHSGMJTBPFBI-UHFFFAOYSA-N 0 0 189.258 2.962 10 30 AFEERN C=CC(C)(C)c1ccc(O)c(OC)c1 238333562 573287533 /nfs/dbraw/zinc/28/75/33/573287533.db2.gz BYZPYXQZBKEWEW-UHFFFAOYSA-N 0 0 192.258 2.864 10 30 AFEERN C=C(C)C1=CCCCCC[C@@H]1O 223656944 573287583 /nfs/dbraw/zinc/28/75/83/573287583.db2.gz IXUJLMHKEYOBPO-NSHDSACASA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@H](OC)c1cc(C)c(O)c(C)c1 222987312 573287658 /nfs/dbraw/zinc/28/76/58/573287658.db2.gz NUXRLANPWUYXMU-NSHDSACASA-N 0 0 192.258 2.883 10 30 AFEERN CCC(CC)COCCC[C@H]1CO1 308344272 573287864 /nfs/dbraw/zinc/28/78/64/573287864.db2.gz TYVMFIYNWATXGX-NSHDSACASA-N 0 0 186.295 2.618 10 30 AFEERN Cc1ccccc1C/C=C\CC=O 258281783 573287908 /nfs/dbraw/zinc/28/79/08/573287908.db2.gz SQGGBFSYLAYVDH-IHWYPQMZSA-N 0 0 174.243 2.683 10 30 AFEERN N#Cc1ccccc1SC(F)F 257989223 573288617 /nfs/dbraw/zinc/28/86/17/573288617.db2.gz FHKATKUBEIXCAF-UHFFFAOYSA-N 0 0 185.198 2.873 10 30 AFEERN CCCC1(C(=O)[C@H](C#N)C(C)C)CC1 308534256 573288984 /nfs/dbraw/zinc/28/89/84/573288984.db2.gz LXFMCCAZDNKSTG-SNVBAGLBSA-N 0 0 193.290 2.932 10 30 AFEERN C=C[C@H](C)CN(C)c1ncc(C)s1 308344277 573288999 /nfs/dbraw/zinc/28/89/99/573288999.db2.gz TZCOIFXNVSEZRS-QMMMGPOBSA-N 0 0 196.319 2.710 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@H]1CC12CC2 715757806 573289179 /nfs/dbraw/zinc/28/91/79/573289179.db2.gz LIZLWKFGSHIDCI-RKDXNWHRSA-N 0 0 164.248 2.568 10 30 AFEERN C#Cc1cc(O)c(C(C)C)cc1OC 238334946 573289282 /nfs/dbraw/zinc/28/92/82/573289282.db2.gz MHNFOSLKDYNFHP-UHFFFAOYSA-N 0 0 190.242 2.506 10 30 AFEERN C=CC(=O)C1C2CC3CC(C2)CC1C3 116488067 573289319 /nfs/dbraw/zinc/28/93/19/573289319.db2.gz FTBLKUBEUNQHSW-UHFFFAOYSA-N 0 0 190.286 2.814 10 30 AFEERN CSc1ccc(C(=O)CS)cc1 259404488 573291115 /nfs/dbraw/zinc/29/11/15/573291115.db2.gz YWFYUCPHFUDPRZ-UHFFFAOYSA-N 0 0 198.312 2.521 10 30 AFEERN CC(=O)C1=CC[C@@H]2C[C@H]1C2(C)C 197025489 573291321 /nfs/dbraw/zinc/29/13/21/573291321.db2.gz KVEJFJCLGGIDJP-PSASIEDQSA-N 0 0 164.248 2.568 10 30 AFEERN C#C[C@@](C)(CC)Oc1cccc(C#N)c1 308855558 573292608 /nfs/dbraw/zinc/29/26/08/573292608.db2.gz SWGSZSOCXMFYPL-ZDUSSCGKSA-N 0 0 199.253 2.739 10 30 AFEERN CC(C)c1csc(C2(C#N)CC2)n1 259071001 573292611 /nfs/dbraw/zinc/29/26/11/573292611.db2.gz AONGTZLHGRTBCY-UHFFFAOYSA-N 0 0 192.287 2.822 10 30 AFEERN Cc1ccc(C(C)(C)CCC=O)o1 238444810 573292761 /nfs/dbraw/zinc/29/27/61/573292761.db2.gz NXCQDXCTGAHBPN-UHFFFAOYSA-N 0 0 180.247 2.845 10 30 AFEERN Cc1c(C#N)cc2ccsc2c1C#N 306890905 573293375 /nfs/dbraw/zinc/29/33/75/573293375.db2.gz WCQPSTPHZJBNQX-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN N#Cc1c[nH]cc1C1CCCC1 258621567 573293820 /nfs/dbraw/zinc/29/38/20/573293820.db2.gz QFLASBYEQQVGJP-UHFFFAOYSA-N 0 0 160.220 2.544 10 30 AFEERN C[C@@H]1O[C@@H]1c1cn(C)c2ccccc12 259407723 573295446 /nfs/dbraw/zinc/29/54/46/573295446.db2.gz SMWZRZKZTZOGQH-UFBFGSQYSA-N 0 0 187.242 2.638 10 30 AFEERN CCC1([C@H](C#N)NCC(C)C)CCC1 686134450 573295238 /nfs/dbraw/zinc/29/52/38/573295238.db2.gz TVDNEHYMWXNWFZ-NSHDSACASA-N 0 0 194.322 2.704 10 30 AFEERN C[C@@H]1O[C@H]1c1cn(C)c2ccccc12 259407719 573296897 /nfs/dbraw/zinc/29/68/97/573296897.db2.gz SMWZRZKZTZOGQH-QPUJVOFHSA-N 0 0 187.242 2.638 10 30 AFEERN CC1(C)O[C@H]1C1CCCCC1 259074234 573297663 /nfs/dbraw/zinc/29/76/63/573297663.db2.gz ARDHYESPIUPNKQ-VIFPVBQESA-N 0 0 154.253 2.744 10 30 AFEERN COCc1ccccc1[C@@H](C)CC=O 257999096 573297193 /nfs/dbraw/zinc/29/71/93/573297193.db2.gz GJJGYVCRMNYBBN-JTQLQIEISA-N 0 0 192.258 2.526 10 30 AFEERN CCc1nc(C#N)c(-c2ccccc2)o1 259605753 573297195 /nfs/dbraw/zinc/29/71/95/573297195.db2.gz GJNQQGGXUAMDLV-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN Cc1ccc(C#N)c2c1SC(=O)C2 306910204 573297336 /nfs/dbraw/zinc/29/73/36/573297336.db2.gz IAJXQZFHTFYTNH-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN CO[C@@H](C)[C@H](CC#N)c1ccccc1 259605764 573297376 /nfs/dbraw/zinc/29/73/76/573297376.db2.gz GJOAMHWUSFQLRV-JQWIXIFHSA-N 0 0 189.258 2.719 10 30 AFEERN CC[C@H](C)N[C@@H](C#N)C1(CC)CCC1 686134484 573297389 /nfs/dbraw/zinc/29/73/89/573297389.db2.gz UILBBNXWJWJWQW-QWRGUYRKSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@@H](C)N[C@@H](C#N)C1(CC)CCC1 686134482 573297413 /nfs/dbraw/zinc/29/74/13/573297413.db2.gz UILBBNXWJWJWQW-MNOVXSKESA-N 0 0 194.322 2.847 10 30 AFEERN Cn1cc(Cl)c2cccc(C#N)c21 257998972 573297428 /nfs/dbraw/zinc/29/74/28/573297428.db2.gz GGEYLFKSMJQCRQ-UHFFFAOYSA-N 0 0 190.633 2.703 10 30 AFEERN C=C(C)C1=CCCCCC[C@H]1O 223657028 573297475 /nfs/dbraw/zinc/29/74/75/573297475.db2.gz IXUJLMHKEYOBPO-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1c(C#N)cc(C#N)c2ccsc12 306906963 573297521 /nfs/dbraw/zinc/29/75/21/573297521.db2.gz MYDJUJDMILFVNN-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C=CCN(CC)c1ccnc(Cl)c1 308390867 573297529 /nfs/dbraw/zinc/29/75/29/573297529.db2.gz ZJQVMMUGZKEFRJ-UHFFFAOYSA-N 0 0 196.681 2.747 10 30 AFEERN O=CCCc1cccc(C(F)F)c1 257998910 573297581 /nfs/dbraw/zinc/29/75/81/573297581.db2.gz GFHWSYRMZBJFJS-UHFFFAOYSA-N 0 0 184.185 2.756 10 30 AFEERN C=CC[C@@H](C)CC(=O)C1CC1 715760400 573297610 /nfs/dbraw/zinc/29/76/10/573297610.db2.gz YOSIIJZOPUALBA-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CO[C@H](C)[C@H](CC#N)c1ccccc1 259605768 573297668 /nfs/dbraw/zinc/29/76/68/573297668.db2.gz GJOAMHWUSFQLRV-PWSUYJOCSA-N 0 0 189.258 2.719 10 30 AFEERN C=CC(=O)Cc1cc(Cl)ccc1F 236142990 573300660 /nfs/dbraw/zinc/30/06/60/573300660.db2.gz GPPOTDLNAACMIV-UHFFFAOYSA-N 0 0 198.624 2.777 10 30 AFEERN C=CCc1c(Cl)ccc(OC)c1O 238335663 573300608 /nfs/dbraw/zinc/30/06/08/573300608.db2.gz MQMNFZFWSWQRHL-UHFFFAOYSA-N 0 0 198.649 2.783 10 30 AFEERN C=C[C@@H]1O[C@H](OCC)c2ccccc21 215137773 573299884 /nfs/dbraw/zinc/29/98/84/573299884.db2.gz PXZONPKILMXMAC-RYUDHWBXSA-N 0 0 190.242 2.979 10 30 AFEERN CCc1sc2ncccc2c1C#N 307031702 573299957 /nfs/dbraw/zinc/29/99/57/573299957.db2.gz PFLJJDKYPKPPGW-UHFFFAOYSA-N 0 0 188.255 2.730 10 30 AFEERN CCC=C=CC(=O)CCCC 118093971 573299985 /nfs/dbraw/zinc/29/99/85/573299985.db2.gz ABPBGEZLLMTNRL-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN CC(C)c1ccc([C@H](O)CS)cc1 259073126 573300246 /nfs/dbraw/zinc/30/02/46/573300246.db2.gz FIVPAZICPRXPJW-LLVKDONJSA-N 0 0 196.315 2.773 10 30 AFEERN C=C(C)c1cc(OC)ccc1NC 238335759 573300337 /nfs/dbraw/zinc/30/03/37/573300337.db2.gz GKYVPXNBBKSXJG-UHFFFAOYSA-N 0 0 177.247 2.770 10 30 AFEERN CC[C@H](C#N)Oc1cc(C)ccc1F 82939734 573300430 /nfs/dbraw/zinc/30/04/30/573300430.db2.gz VECJRNZBNZRLFE-SECBINFHSA-N 0 0 193.221 2.815 10 30 AFEERN C=C(CC(=O)OC)c1cccc(C)c1 258286087 573300469 /nfs/dbraw/zinc/30/04/69/573300469.db2.gz SVBFWDRRQFXHEK-UHFFFAOYSA-N 0 0 190.242 2.571 10 30 AFEERN C=CC[C@H](C)[C@H](CC)C(C)=O 715759089 573300543 /nfs/dbraw/zinc/30/05/43/573300543.db2.gz UKZZGZUOFPHNDV-WPRPVWTQSA-N 0 0 154.253 2.814 10 30 AFEERN C=CC[C@@H](C)[C@@H](CC)C(C)=O 715759077 573300906 /nfs/dbraw/zinc/30/09/06/573300906.db2.gz UKZZGZUOFPHNDV-PSASIEDQSA-N 0 0 154.253 2.814 10 30 AFEERN CC(C)c1ccc([C@@H](O)CS)cc1 259073129 573302123 /nfs/dbraw/zinc/30/21/23/573302123.db2.gz FIVPAZICPRXPJW-NSHDSACASA-N 0 0 196.315 2.773 10 30 AFEERN CCCCCNc1ncc(C#N)s1 259073915 573301069 /nfs/dbraw/zinc/30/10/69/573301069.db2.gz XQMIWVYTNUJIOC-UHFFFAOYSA-N 0 0 195.291 2.617 10 30 AFEERN CC[C@H](C#N)c1nc(CC(C)C)c[nH]1 259074642 573301306 /nfs/dbraw/zinc/30/13/06/573301306.db2.gz LDFBGKHECZGXDC-SECBINFHSA-N 0 0 191.278 2.625 10 30 AFEERN Cc1cc(C2CC2)c2cc(C#N)nc-2[nH]1 259409724 573301427 /nfs/dbraw/zinc/30/14/27/573301427.db2.gz RKWFFXCNBUYZBG-UHFFFAOYSA-N 0 0 197.241 2.620 10 30 AFEERN Cc1ccc2cc(C#N)sc2c1N 306904252 573301672 /nfs/dbraw/zinc/30/16/72/573301672.db2.gz JREMWOCCSIXAFK-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CC[C@@H](C#N)c1nc(CC(C)C)c[nH]1 259074644 573301849 /nfs/dbraw/zinc/30/18/49/573301849.db2.gz LDFBGKHECZGXDC-VIFPVBQESA-N 0 0 191.278 2.625 10 30 AFEERN C=C[C@@H]1O[C@@H](OCC)c2ccccc21 215137827 573301875 /nfs/dbraw/zinc/30/18/75/573301875.db2.gz PXZONPKILMXMAC-NWDGAFQWSA-N 0 0 190.242 2.979 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1ccccc1F 259075488 573305263 /nfs/dbraw/zinc/30/52/63/573305263.db2.gz YRRQCZPCRAFOLI-ONGXEEELSA-N 0 0 175.206 2.843 10 30 AFEERN O=C[C@H]1C/C1=C/c1ccc(Cl)cc1 198044439 573304591 /nfs/dbraw/zinc/30/45/91/573304591.db2.gz WHHGSFKYRFKQSR-HYHWUIIZSA-N 0 0 192.645 2.942 10 30 AFEERN Cc1ccc([C@H](O)CCS)cc1C 259078520 573303687 /nfs/dbraw/zinc/30/36/87/573303687.db2.gz IGNOBNHWBJJGNF-LLVKDONJSA-N 0 0 196.315 2.657 10 30 AFEERN CC[C@@H](C#N)Oc1cc(C)ccc1F 82939731 573303769 /nfs/dbraw/zinc/30/37/69/573303769.db2.gz VECJRNZBNZRLFE-VIFPVBQESA-N 0 0 193.221 2.815 10 30 AFEERN N#C[C@@H]1CCc2sccc2C12CC2 259605925 573304063 /nfs/dbraw/zinc/30/40/63/573304063.db2.gz GKZCBMBAUUTLQO-QMMMGPOBSA-N 0 0 189.283 2.866 10 30 AFEERN C#Cc1cccc([C@@H](C)CC)n1 209768861 573304204 /nfs/dbraw/zinc/30/42/04/573304204.db2.gz SCHGUPHOKTUOMB-VIFPVBQESA-N 0 0 159.232 2.576 10 30 AFEERN C=CCc1cnc(C(F)(F)F)s1 236132632 573304210 /nfs/dbraw/zinc/30/42/10/573304210.db2.gz BQFGALOCMKMTFQ-UHFFFAOYSA-N 0 0 193.193 2.890 10 30 AFEERN CC1(C)O[C@@H]1c1ccc2ncoc2c1 259077459 573304250 /nfs/dbraw/zinc/30/42/50/573304250.db2.gz AWTFHYKIIMOCNL-SNVBAGLBSA-N 0 0 189.214 2.678 10 30 AFEERN Cc1ccc([C@@H](O)CCS)cc1C 259078524 573304386 /nfs/dbraw/zinc/30/43/86/573304386.db2.gz IGNOBNHWBJJGNF-NSHDSACASA-N 0 0 196.315 2.657 10 30 AFEERN Cc1ccc(-c2cc(C#N)c(C)[nH]2)o1 259410890 573304921 /nfs/dbraw/zinc/30/49/21/573304921.db2.gz ZICUATIJPFHAMC-UHFFFAOYSA-N 0 0 186.214 2.763 10 30 AFEERN CCCCCCC[C@]1(C)CNC(=O)C1 116760138 573305013 /nfs/dbraw/zinc/30/50/13/573305013.db2.gz DFNNNJSSKDRACS-LBPRGKRZSA-N 0 0 197.322 2.873 10 30 AFEERN CC1(C)C=Cc2cc(C#N)ccc2N1 221367246 573305489 /nfs/dbraw/zinc/30/54/89/573305489.db2.gz XQIJXQDRRVBNJH-UHFFFAOYSA-N 0 0 184.242 2.776 10 30 AFEERN CC(C)=CCc1cc(C#N)ccc1N 221356708 573305639 /nfs/dbraw/zinc/30/56/39/573305639.db2.gz BZDJXOJJOBCMGB-UHFFFAOYSA-N 0 0 186.258 2.649 10 30 AFEERN CC(C)CN(CC#N)C1CCCCC1 259409853 573306792 /nfs/dbraw/zinc/30/67/92/573306792.db2.gz MESFTDDTCNRNCU-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN C[C@@H](NN=CC1(C)CC1)C(C)(C)C 308342670 573306593 /nfs/dbraw/zinc/30/65/93/573306593.db2.gz RYFANDGCSYYQNO-SECBINFHSA-N 0 0 182.311 2.797 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1ccccc1F 259075482 573306633 /nfs/dbraw/zinc/30/66/33/573306633.db2.gz YRRQCZPCRAFOLI-KOLCDFICSA-N 0 0 175.206 2.843 10 30 AFEERN C#Cc1cccc([C@H](C)CC)n1 209768834 573307220 /nfs/dbraw/zinc/30/72/20/573307220.db2.gz SCHGUPHOKTUOMB-SECBINFHSA-N 0 0 159.232 2.576 10 30 AFEERN CC(C)[C@@](C)(C#N)c1cccc(N)c1 259411952 573307588 /nfs/dbraw/zinc/30/75/88/573307588.db2.gz CMUXMGONQXBBBK-GFCCVEGCSA-N 0 0 188.274 2.706 10 30 AFEERN C=C(CCCC#N)[C@H](C)CC(C)=O 238453945 573307770 /nfs/dbraw/zinc/30/77/70/573307770.db2.gz GHLNBYHFCPPYQD-SNVBAGLBSA-N 0 0 179.263 2.852 10 30 AFEERN COc1c(F)c(C#N)cc(C)c1Cl 258252784 573308662 /nfs/dbraw/zinc/30/86/62/573308662.db2.gz XTPBJYCNWXLZFG-UHFFFAOYSA-N 0 0 199.612 2.668 10 30 AFEERN CC(C)[C@](C)(C#N)c1cccc(N)c1 259411954 573308780 /nfs/dbraw/zinc/30/87/80/573308780.db2.gz CMUXMGONQXBBBK-LBPRGKRZSA-N 0 0 188.274 2.706 10 30 AFEERN C[C@@]1(c2ccc3c(c2)CCC3)C[C@H]1C#N 259079124 573309452 /nfs/dbraw/zinc/30/94/52/573309452.db2.gz ZGOIKJFKSCHZOM-KBPBESRZSA-N 0 0 197.281 2.976 10 30 AFEERN CSc1c(F)ccc(CC#N)c1F 258000536 573309612 /nfs/dbraw/zinc/30/96/12/573309612.db2.gz BYTYDYIDRDGJID-UHFFFAOYSA-N 0 0 199.225 2.753 10 30 AFEERN C[C@]1(c2ccc3c(c2)CCC3)C[C@H]1C#N 259079134 573309659 /nfs/dbraw/zinc/30/96/59/573309659.db2.gz ZGOIKJFKSCHZOM-UONOGXRCSA-N 0 0 197.281 2.976 10 30 AFEERN C=CCc1ccc(C#N)cc1C 116980129 573310456 /nfs/dbraw/zinc/31/04/56/573310456.db2.gz QPVPJIMFGNSWNU-UHFFFAOYSA-N 0 0 157.216 2.595 10 30 AFEERN N#Cc1cc2oc3ccccc3c2[nH]1 259607154 573310748 /nfs/dbraw/zinc/31/07/48/573310748.db2.gz FPKUMFGVZSQJCQ-UHFFFAOYSA-N 0 0 182.182 2.786 10 30 AFEERN CC[C@@H](C#N)CNc1ccccc1C 258626307 573310908 /nfs/dbraw/zinc/31/09/08/573310908.db2.gz JYWMWFXTMIJAED-NSHDSACASA-N 0 0 188.274 2.957 10 30 AFEERN C[C@@H](F)Cc1ccccc1CCC=O 258001293 573310980 /nfs/dbraw/zinc/31/09/80/573310980.db2.gz GMDQXBMYDZJYNF-SNVBAGLBSA-N 0 0 194.249 2.719 10 30 AFEERN C=CC[C@H](C)C(=O)[C@@H](CC)OCC 715770702 573311146 /nfs/dbraw/zinc/31/11/46/573311146.db2.gz CYLWBQJBQHMKSL-VHSXEESVSA-N 0 0 184.279 2.583 10 30 AFEERN N#Cc1cnccc1C1CCCC1 74310046 573313982 /nfs/dbraw/zinc/31/39/82/573313982.db2.gz JQZRNJVHXAYOHD-UHFFFAOYSA-N 0 0 172.231 2.611 10 30 AFEERN CC(=O)/C=C(\C)CCC(C)C 117105898 573317434 /nfs/dbraw/zinc/31/74/34/573317434.db2.gz LBXCGAGLVNGIRR-VQHVLOKHSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1csc2ccc(C#N)c(C#N)c12 306916300 573315563 /nfs/dbraw/zinc/31/55/63/573315563.db2.gz WZVYGNISGIFRQO-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN C=C1CCCCC[C@@]1(C)CO 224029419 573318817 /nfs/dbraw/zinc/31/88/17/573318817.db2.gz HWUYZVUEBQVMOZ-JTQLQIEISA-N 0 0 154.253 2.505 10 30 AFEERN Cc1cc(C#N)c2scc(C#N)c2c1 307064720 573315623 /nfs/dbraw/zinc/31/56/23/573315623.db2.gz QRLDFEBEIAPYDQ-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN N#CC#Cc1ccc(Cl)cc1Cl 106872795 573315826 /nfs/dbraw/zinc/31/58/26/573315826.db2.gz RQULVPVBZMMIAE-UHFFFAOYSA-N 0 0 196.036 2.868 10 30 AFEERN COc1cc(F)cc(C(C)(C)C#N)c1 238350839 573315951 /nfs/dbraw/zinc/31/59/51/573315951.db2.gz NKAQLHKCTZRQKF-UHFFFAOYSA-N 0 0 193.221 2.635 10 30 AFEERN C=CCCCn1c(C)cc(C=O)c1C 308552264 573315967 /nfs/dbraw/zinc/31/59/67/573315967.db2.gz QSIXWMIUVDEQGR-UHFFFAOYSA-N 0 0 191.274 2.884 10 30 AFEERN Cc1ccc(-c2cnoc2C#N)cc1 259413284 573316138 /nfs/dbraw/zinc/31/61/38/573316138.db2.gz KSNKTARBRYPSBX-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C=C(CC(=O)OC)C1CCCCC1 258257628 573316234 /nfs/dbraw/zinc/31/62/34/573316234.db2.gz RARZXYZMRMBGIA-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN CC(C)(C)c1nc2c(o1)[C@@H](C#N)CC2 259608109 573316343 /nfs/dbraw/zinc/31/63/43/573316343.db2.gz GLQXJWGYCBHBGE-SSDOTTSWSA-N 0 0 190.246 2.525 10 30 AFEERN Cc1ccc2sc(N)cc2c1C#N 307056796 573316740 /nfs/dbraw/zinc/31/67/40/573316740.db2.gz WFVWNRDYJYHVHV-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN N#Cc1cc2cc(O)c(F)cc2s1 307061586 573316829 /nfs/dbraw/zinc/31/68/29/573316829.db2.gz LQBQOAXBKPRBPY-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN N#Cc1ccc(F)c2c1CC(=O)S2 306607432 573316895 /nfs/dbraw/zinc/31/68/95/573316895.db2.gz ICWXPMPUKKLFJQ-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN COc1ccc(C(C)=O)cc1N=[N+]=[N-] 238352508 573317239 /nfs/dbraw/zinc/31/72/39/573317239.db2.gz DYIFAVNLAQUIGK-UHFFFAOYSA-N 0 0 191.190 2.840 10 30 AFEERN CC(C)(C)c1nc2c(o1)[C@H](C#N)CC2 259608116 573317349 /nfs/dbraw/zinc/31/73/49/573317349.db2.gz GLQXJWGYCBHBGE-ZETCQYMHSA-N 0 0 190.246 2.525 10 30 AFEERN C[C@H](CC=O)c1cccc2oncc12 258003708 573317392 /nfs/dbraw/zinc/31/73/92/573317392.db2.gz GQRXSCVMTWOTTR-MRVPVSSYSA-N 0 0 189.214 2.520 10 30 AFEERN C=C=CC(=O)c1ccc(CC)s1 238350606 573317454 /nfs/dbraw/zinc/31/74/54/573317454.db2.gz XKGMFVAQLKBEHU-UHFFFAOYSA-N 0 0 178.256 2.517 10 30 AFEERN CC#CCCCCNc1ccccn1 308551471 573317558 /nfs/dbraw/zinc/31/75/58/573317558.db2.gz XPZGIXCVPQMKLQ-UHFFFAOYSA-N 0 0 188.274 2.687 10 30 AFEERN CCCCCCC[C@@H]1CCCNC1=O 132578301 573317989 /nfs/dbraw/zinc/31/79/89/573317989.db2.gz RFOUZUBAIWZGBM-LLVKDONJSA-N 0 0 197.322 2.873 10 30 AFEERN Cc1csc2c(C#N)c(N)ccc12 306911127 573318101 /nfs/dbraw/zinc/31/81/01/573318101.db2.gz KIKNSIFJGRITDE-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CC(=O)/C(C)=C/CCC(C)C 117100371 573318176 /nfs/dbraw/zinc/31/81/76/573318176.db2.gz DWORLPRMNWNZHI-VQHVLOKHSA-N 0 0 154.253 2.958 10 30 AFEERN C[C@@H]1CSc2cccc(CC=O)c21 258257278 573318199 /nfs/dbraw/zinc/31/81/99/573318199.db2.gz YGBGMGSENWWJDU-MRVPVSSYSA-N 0 0 192.283 2.637 10 30 AFEERN CCCC/C=C/[C@@H](C)C=O 117099383 573318421 /nfs/dbraw/zinc/31/84/21/573318421.db2.gz ZSVSJKJVJVRUGR-XCODYQFDSA-N 0 0 140.226 2.568 10 30 AFEERN O=C(C1=CCCC1)c1ccncc1F 236150339 573318716 /nfs/dbraw/zinc/31/87/16/573318716.db2.gz RMBQRPDSCOTHSW-UHFFFAOYSA-N 0 0 191.205 2.514 10 30 AFEERN CC(C)(C#N)C[C@H](O)CC1CCCC1 308551235 573319056 /nfs/dbraw/zinc/31/90/56/573319056.db2.gz QDOZLGRBDPHYCV-LLVKDONJSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@@H]1CCCC[C@@H]1C(=O)CC 224033810 573319208 /nfs/dbraw/zinc/31/92/08/573319208.db2.gz JHRQBZJERBURGO-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN CCSc1ccc(C(=O)C#N)cc1 259084052 573319252 /nfs/dbraw/zinc/31/92/52/573319252.db2.gz FSCFFJRGEBXJCM-UHFFFAOYSA-N 0 0 191.255 2.505 10 30 AFEERN C=C[C@H]1CCCC[C@H]1C(=O)CC 224033648 573319482 /nfs/dbraw/zinc/31/94/82/573319482.db2.gz JHRQBZJERBURGO-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)C[C@@H](C)CCC=O 117101700 573319698 /nfs/dbraw/zinc/31/96/98/573319698.db2.gz OIZYWYZAFCQLOI-VIFPVBQESA-N 0 0 142.242 2.648 10 30 AFEERN CC(C)(C=O)C(Cl)(Cl)Cl 117097158 573319741 /nfs/dbraw/zinc/31/97/41/573319741.db2.gz UVTHNPAYVIKDST-UHFFFAOYSA-N 0 0 189.469 2.582 10 30 AFEERN C=CCNc1cc(F)ccc1OCC 308551417 573319742 /nfs/dbraw/zinc/31/97/42/573319742.db2.gz XNJYYWKVKMDBRY-UHFFFAOYSA-N 0 0 195.237 2.822 10 30 AFEERN C=C(C)[C@H]1CCCC[C@H]1C=O 224028915 573319934 /nfs/dbraw/zinc/31/99/34/573319934.db2.gz ZRRBLAIBNWUXHE-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN CC#CC[C@H](CCCCCCC)NN 129360588 573320027 /nfs/dbraw/zinc/32/00/27/573320027.db2.gz ZDPOJOOLRDHTGE-GFCCVEGCSA-N 0 0 196.338 2.592 10 30 AFEERN C[C@@H](CC=O)c1cccc2oncc12 258003710 573320097 /nfs/dbraw/zinc/32/00/97/573320097.db2.gz GQRXSCVMTWOTTR-QMMMGPOBSA-N 0 0 189.214 2.520 10 30 AFEERN N#CC1(c2cc3ccccc3[nH]2)CC1 259414965 573320394 /nfs/dbraw/zinc/32/03/94/573320394.db2.gz ILWUKLMHETTWBH-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN C[C@H]1CSc2cccc(CC=O)c21 258257280 573320556 /nfs/dbraw/zinc/32/05/56/573320556.db2.gz YGBGMGSENWWJDU-QMMMGPOBSA-N 0 0 192.283 2.637 10 30 AFEERN Cc1cc2sc(C#N)c(N)c2s1 259416109 573320601 /nfs/dbraw/zinc/32/06/01/573320601.db2.gz HYCSKHXIMCWCDW-UHFFFAOYSA-N 0 0 194.284 2.725 10 30 AFEERN C=C[C@H]1CCCC[C@@H]1C(=O)CC 224033699 573320752 /nfs/dbraw/zinc/32/07/52/573320752.db2.gz JHRQBZJERBURGO-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@H]1CCCC[C@@H]1C=O 224028807 573320836 /nfs/dbraw/zinc/32/08/36/573320836.db2.gz ZRRBLAIBNWUXHE-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H]1CCCC[C@H]1C(=O)CC 224033759 573321084 /nfs/dbraw/zinc/32/10/84/573321084.db2.gz JHRQBZJERBURGO-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CC[C@H]2C(=C)CC(=O)CC[C@@H]12 214757781 573321224 /nfs/dbraw/zinc/32/12/24/573321224.db2.gz ZMGPYOBMEGEMGK-RYUDHWBXSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)[C@@H]1CCCC[C@@H]1C=O 224028756 573321368 /nfs/dbraw/zinc/32/13/68/573321368.db2.gz ZRRBLAIBNWUXHE-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN CCCCCCC[C@H]1CCCNC1=O 132578502 573321417 /nfs/dbraw/zinc/32/14/17/573321417.db2.gz RFOUZUBAIWZGBM-NSHDSACASA-N 0 0 197.322 2.873 10 30 AFEERN CC(C)CC[C@H](C)CC=O 117102074 573321888 /nfs/dbraw/zinc/32/18/88/573321888.db2.gz MKYRNEMQGVHWME-VIFPVBQESA-N 0 0 142.242 2.648 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CCC[C@H]1C 308348549 573322108 /nfs/dbraw/zinc/32/21/08/573322108.db2.gz WZJQPTFJKMVANF-UTLUCORTSA-N 0 0 182.263 2.540 10 30 AFEERN C=C1CCCCC[C@@]1(C)C=O 224029542 573322261 /nfs/dbraw/zinc/32/22/61/573322261.db2.gz QWJZQIDJKKPHEX-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN COc1cc(F)c([C@H](C)C#N)cc1F 106873941 573323521 /nfs/dbraw/zinc/32/35/21/573323521.db2.gz ZBWLYKHCNYSTFO-ZCFIWIBFSA-N 0 0 197.184 2.600 10 30 AFEERN C[C@H](CC=O)c1ccc(Cl)c(N)c1 259606521 573323523 /nfs/dbraw/zinc/32/35/23/573323523.db2.gz ZRQBGOPQQSMZND-SSDOTTSWSA-N 0 0 197.665 2.615 10 30 AFEERN C=CCCn1nc(CC)cc1CC 132634085 573323340 /nfs/dbraw/zinc/32/33/40/573323340.db2.gz KRPRTAVJRAEIHX-UHFFFAOYSA-N 0 0 178.279 2.584 10 30 AFEERN C=CCCCNc1cccc(F)c1N 308549244 573327764 /nfs/dbraw/zinc/32/77/64/573327764.db2.gz PFEHQBFZFXGIDE-UHFFFAOYSA-N 0 0 194.253 2.786 10 30 AFEERN N#C[C@H](c1ncc[nH]1)C1CCCCC1 259084928 573327516 /nfs/dbraw/zinc/32/75/16/573327516.db2.gz IPCIVNWSLLODOE-JTQLQIEISA-N 0 0 189.262 2.597 10 30 AFEERN C=CC(=O)[C@@]1(OCC)CCC[C@H](C)C1 159452793 573330431 /nfs/dbraw/zinc/33/04/31/573330431.db2.gz SBVXLWGAQFEAGD-CMPLNLGQSA-N 0 0 196.290 2.727 10 30 AFEERN Cc1ccc(C[C@H](C#N)C(C)C)o1 259082738 573330891 /nfs/dbraw/zinc/33/08/91/573330891.db2.gz ABDZPTXMQUBMBO-SNVBAGLBSA-N 0 0 177.247 2.926 10 30 AFEERN C1CCC(COCCC[C@@H]2CO2)CC1 308550246 573330900 /nfs/dbraw/zinc/33/09/00/573330900.db2.gz XFZFMCZDEPOFAS-GFCCVEGCSA-N 0 0 198.306 2.762 10 30 AFEERN CCCCCC[C@@]1(C#N)CCCCN1 308550530 573330179 /nfs/dbraw/zinc/33/01/79/573330179.db2.gz ROLGAEMQBFRWHV-LBPRGKRZSA-N 0 0 194.322 2.993 10 30 AFEERN COc1ccc2c(c1)CC[C@H]2CC#N 238360124 573330259 /nfs/dbraw/zinc/33/02/59/573330259.db2.gz AHJIDNVIOGBHTG-VIFPVBQESA-N 0 0 187.242 2.639 10 30 AFEERN C[C@@H]1CCCC[C@@H]1OCCC[C@@H]1CO1 308549659 573330316 /nfs/dbraw/zinc/33/03/16/573330316.db2.gz XCZNMGZXYSOLAI-UTUOFQBUSA-N 0 0 198.306 2.761 10 30 AFEERN C=C[C@H](/C=C\C)NC(=O)OC(C)(C)C 308348941 573330496 /nfs/dbraw/zinc/33/04/96/573330496.db2.gz SHZZUGFCIJQAGN-JGAIRUGNSA-N 0 0 197.278 2.642 10 30 AFEERN C[C@@]12CCC(=O)C=C1c1ccccc1N2 238462380 573330582 /nfs/dbraw/zinc/33/05/82/573330582.db2.gz LLTPHXDESXSCEQ-CYBMUJFWSA-N 0 0 199.253 2.617 10 30 AFEERN C=CC[C@H](C)C(=O)[C@@H](CCC)OC 715773144 573330948 /nfs/dbraw/zinc/33/09/48/573330948.db2.gz KUWQDPBMECEBMR-VHSXEESVSA-N 0 0 184.279 2.583 10 30 AFEERN CC(C)(C)C[C@H]1OCCC[C@H]1C#N 86245190 573332051 /nfs/dbraw/zinc/33/20/51/573332051.db2.gz UXJOJXWFJNSCLN-VHSXEESVSA-N 0 0 181.279 2.741 10 30 AFEERN CCOc1ccc([C@H]2O[C@@H]2C)cc1F 259419847 573332074 /nfs/dbraw/zinc/33/20/74/573332074.db2.gz TZHMVFSGNIPCPB-HQJQHLMTSA-N 0 0 196.221 2.684 10 30 AFEERN CCC(CC)[C@@H]1OCCC[C@H]1C#N 86245179 573332090 /nfs/dbraw/zinc/33/20/90/573332090.db2.gz FTHXSJDZLJEODQ-QWRGUYRKSA-N 0 0 181.279 2.741 10 30 AFEERN C=CC[C@H](C)C(=O)[C@H](CCC)OC 715773142 573332129 /nfs/dbraw/zinc/33/21/29/573332129.db2.gz KUWQDPBMECEBMR-UWVGGRQHSA-N 0 0 184.279 2.583 10 30 AFEERN CC(C)(S)c1ccc2c(c1)CCO2 259088659 573332149 /nfs/dbraw/zinc/33/21/49/573332149.db2.gz DRGAHDGAHPGPFM-UHFFFAOYSA-N 0 0 194.299 2.786 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@@H](CCC)OC 715773139 573332211 /nfs/dbraw/zinc/33/22/11/573332211.db2.gz KUWQDPBMECEBMR-NXEZZACHSA-N 0 0 184.279 2.583 10 30 AFEERN C=CC[C@@H]1CCCC=C1C(=S)NC 238358526 573332421 /nfs/dbraw/zinc/33/24/21/573332421.db2.gz ZHWIRNQUDZYCJQ-SECBINFHSA-N 0 0 195.331 2.836 10 30 AFEERN CC1CCC([C@@H]2OCC[C@@H]2C#N)CC1 86245141 573332423 /nfs/dbraw/zinc/33/24/23/573332423.db2.gz LEKQSAQSZZBESG-HCWSGVFWSA-N 0 0 193.290 2.741 10 30 AFEERN N#C[C@H]1CCO[C@@H]1C1CCCCCC1 86245112 573332442 /nfs/dbraw/zinc/33/24/42/573332442.db2.gz KYHDBMJAJRULII-VXGBXAGGSA-N 0 0 193.290 2.885 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@H](CCC)OC 715773145 573332444 /nfs/dbraw/zinc/33/24/44/573332444.db2.gz KUWQDPBMECEBMR-ZJUUUORDSA-N 0 0 184.279 2.583 10 30 AFEERN CC1CCC([C@@H]2OCC[C@H]2C#N)CC1 86245139 573332456 /nfs/dbraw/zinc/33/24/56/573332456.db2.gz LEKQSAQSZZBESG-QQFIATSDSA-N 0 0 193.290 2.741 10 30 AFEERN C=CCCC[C@H](O)[C@@H](CC)OCC 132713349 573332476 /nfs/dbraw/zinc/33/24/76/573332476.db2.gz IFKUWPSJBGYLHU-WDEREUQCSA-N 0 0 186.295 2.519 10 30 AFEERN CCc1ccc(OC)c([C@H]2O[C@H]2C)c1 258630634 573333302 /nfs/dbraw/zinc/33/33/02/573333302.db2.gz CCAFKAJFXSSMOF-UFBFGSQYSA-N 0 0 192.258 2.717 10 30 AFEERN N#C[C@@H]1CCCO[C@@H]1C1CCCCC1 86245238 573332486 /nfs/dbraw/zinc/33/24/86/573332486.db2.gz PVIFFFIMBHKBFL-NWDGAFQWSA-N 0 0 193.290 2.885 10 30 AFEERN COc1ccccc1[C@@H]1OC1(C)C 259419905 573332510 /nfs/dbraw/zinc/33/25/10/573332510.db2.gz TZXRRYPDOKEDQH-JTQLQIEISA-N 0 0 178.231 2.545 10 30 AFEERN CCC[C@H](C)[C@H]1OCCC[C@H]1C#N 86245203 573332577 /nfs/dbraw/zinc/33/25/77/573332577.db2.gz BKKHNIUETDMDLA-GARJFASQSA-N 0 0 181.279 2.741 10 30 AFEERN CCOc1ccc([C@H]2O[C@H]2C)cc1F 259419845 573332582 /nfs/dbraw/zinc/33/25/82/573332582.db2.gz TZHMVFSGNIPCPB-CPCISQLKSA-N 0 0 196.221 2.684 10 30 AFEERN COc1ccccc1[C@H]1OC1(C)C 259419906 573332593 /nfs/dbraw/zinc/33/25/93/573332593.db2.gz TZXRRYPDOKEDQH-SNVBAGLBSA-N 0 0 178.231 2.545 10 30 AFEERN CCc1ccc(OC)c([C@@H]2O[C@H]2C)c1 258630633 573332623 /nfs/dbraw/zinc/33/26/23/573332623.db2.gz CCAFKAJFXSSMOF-QPUJVOFHSA-N 0 0 192.258 2.717 10 30 AFEERN N#C[C@H]1CCO[C@H]1C1CCCCCC1 86245113 573332665 /nfs/dbraw/zinc/33/26/65/573332665.db2.gz KYHDBMJAJRULII-NEPJUHHUSA-N 0 0 193.290 2.885 10 30 AFEERN CC1=CC(=O)CCc2ccccc21 223029098 573332697 /nfs/dbraw/zinc/33/26/97/573332697.db2.gz UWEUBUAZABZWKR-UHFFFAOYSA-N 0 0 172.227 2.605 10 30 AFEERN CC1CCC([C@H]2OCC[C@H]2C#N)CC1 86245138 573333334 /nfs/dbraw/zinc/33/33/34/573333334.db2.gz LEKQSAQSZZBESG-MMVSWEMESA-N 0 0 193.290 2.741 10 30 AFEERN CC(C)(C)C[C@H]1OCCC[C@@H]1C#N 86245192 573333022 /nfs/dbraw/zinc/33/30/22/573333022.db2.gz UXJOJXWFJNSCLN-NXEZZACHSA-N 0 0 181.279 2.741 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@@](C)(CC)OC 715773221 573333097 /nfs/dbraw/zinc/33/30/97/573333097.db2.gz LECNOWZDMOMOQZ-MWLCHTKSSA-N 0 0 184.279 2.583 10 30 AFEERN C=CC[C@H]1CCCC=C1C(=S)NC 238358511 573333140 /nfs/dbraw/zinc/33/31/40/573333140.db2.gz ZHWIRNQUDZYCJQ-VIFPVBQESA-N 0 0 195.331 2.836 10 30 AFEERN CCOc1ccc([C@@H]2O[C@H]2C)cc1F 259419853 573333148 /nfs/dbraw/zinc/33/31/48/573333148.db2.gz TZHMVFSGNIPCPB-WRWORJQWSA-N 0 0 196.221 2.684 10 30 AFEERN Cc1cc(-c2cccs2)[nH]c1C#N 259609111 573333157 /nfs/dbraw/zinc/33/31/57/573333157.db2.gz FSYXWRTVBFRIPG-UHFFFAOYSA-N 0 0 188.255 2.923 10 30 AFEERN C=CCCC(=O)c1cc(C)cc(C)n1 308560096 573333178 /nfs/dbraw/zinc/33/31/78/573333178.db2.gz VKTUXQPYRZDEFC-UHFFFAOYSA-N 0 0 189.258 2.847 10 30 AFEERN CC[C@H](C#N)Cc1cccc(F)c1 259089458 573334940 /nfs/dbraw/zinc/33/49/40/573334940.db2.gz AJUACVDQJUKGBY-VIFPVBQESA-N 0 0 177.222 2.918 10 30 AFEERN C#C[C@H](O)/C(C)=C/C1CCCCC1 143655611 573335172 /nfs/dbraw/zinc/33/51/72/573335172.db2.gz IHXPHIDABGNQMD-VMPCVLLUSA-N 0 0 178.275 2.507 10 30 AFEERN Cc1nc2cc([C@@H]3O[C@H]3C)ccc2o1 259422406 573335294 /nfs/dbraw/zinc/33/52/94/573335294.db2.gz UCVVMNHMCBNGFK-UPONEAKYSA-N 0 0 189.214 2.596 10 30 AFEERN CCC(CC)CCC[C@@H]1CO1 220008742 573342787 /nfs/dbraw/zinc/34/27/87/573342787.db2.gz ARWQHTUPUOLZEQ-SNVBAGLBSA-N 0 0 156.269 2.992 10 30 AFEERN CC[C@H](C)c1ccc([C@@H](N)C#N)cc1 259087652 573335631 /nfs/dbraw/zinc/33/56/31/573335631.db2.gz OVCRBXYBKXJUKS-CABZTGNLSA-N 0 0 188.274 2.723 10 30 AFEERN CC(C)C[C@H](C#N)c1cc[nH]c1 259088567 573335684 /nfs/dbraw/zinc/33/56/84/573335684.db2.gz IZUBDPHNCILMOF-SNVBAGLBSA-N 0 0 162.236 2.668 10 30 AFEERN CCNC=C1CCC[C@H](C(C)C)C1=O 308345106 573335716 /nfs/dbraw/zinc/33/57/16/573335716.db2.gz ULCXCBPVWZFWJY-RJCSOLBVSA-N 0 0 195.306 2.505 10 30 AFEERN C[C@@H]1O[C@@H]1c1coc2ccccc12 259422392 573335861 /nfs/dbraw/zinc/33/58/61/573335861.db2.gz UCMNOMALQHTUQK-CPCISQLKSA-N 0 0 174.199 2.893 10 30 AFEERN C=C(C)CCON=Cc1ccco1 308345902 573335899 /nfs/dbraw/zinc/33/58/99/573335899.db2.gz VFPDBOUVZMRMME-UHFFFAOYSA-N 0 0 179.219 2.596 10 30 AFEERN C=C1C[C@@H]2[C@H](C[C@@H]1OCOC)C2(C)C 238355385 573336041 /nfs/dbraw/zinc/33/60/41/573336041.db2.gz TUOXUVCZYFPNAT-VWYCJHECSA-N 0 0 196.290 2.598 10 30 AFEERN CC(C)C[C@@H](C#N)c1cc[nH]c1 259088564 573336295 /nfs/dbraw/zinc/33/62/95/573336295.db2.gz IZUBDPHNCILMOF-JTQLQIEISA-N 0 0 162.236 2.668 10 30 AFEERN CCCC1(C(=O)C2=COCCC2)CC1 308560295 573336418 /nfs/dbraw/zinc/33/64/18/573336418.db2.gz WXTYZVPUTUYKPN-UHFFFAOYSA-N 0 0 194.274 2.830 10 30 AFEERN Cc1c[nH]c2ccc(CS)cc12 259087579 573336481 /nfs/dbraw/zinc/33/64/81/573336481.db2.gz DGAICXSISKPZAG-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN CC(C)(C)CCCS 78069611 573337285 /nfs/dbraw/zinc/33/72/85/573337285.db2.gz SPTABJXJCBLVRG-UHFFFAOYSA-N 0 0 132.272 2.743 10 30 AFEERN C#CCCC[C@]1(O)CC(C)(C)C[C@@H]1C 235562776 573338624 /nfs/dbraw/zinc/33/86/24/573338624.db2.gz QUNMQJOQKVKBML-AAEUAGOBSA-N 0 0 194.318 2.977 10 30 AFEERN Cc1nc2cc([C@H]3O[C@H]3C)ccc2o1 259422404 573338452 /nfs/dbraw/zinc/33/84/52/573338452.db2.gz UCVVMNHMCBNGFK-KGFZYKRKSA-N 0 0 189.214 2.596 10 30 AFEERN Cc1nc2cc([C@@H]3O[C@@H]3C)ccc2o1 259422405 573338465 /nfs/dbraw/zinc/33/84/65/573338465.db2.gz UCVVMNHMCBNGFK-KSBSHMNSSA-N 0 0 189.214 2.596 10 30 AFEERN C[C@@H]1O[C@H]1c1coc2ccccc12 259422395 573339510 /nfs/dbraw/zinc/33/95/10/573339510.db2.gz UCMNOMALQHTUQK-WRWORJQWSA-N 0 0 174.199 2.893 10 30 AFEERN C=CC[C@@H](C=O)C1CCCC1 117402363 573339332 /nfs/dbraw/zinc/33/93/32/573339332.db2.gz VYRQVGWBVKTYKS-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccccc1[C@@H](C#N)c1cc[nH]c1 259090461 573339537 /nfs/dbraw/zinc/33/95/37/573339537.db2.gz JEFBUIQWEMNNGY-ZDUSSCGKSA-N 0 0 196.253 2.979 10 30 AFEERN CCC/C=C/C/C=C/CC=O 78016003 573339635 /nfs/dbraw/zinc/33/96/35/573339635.db2.gz GTOMPMHTTNKWHF-AOSYACOCSA-N 0 0 152.237 2.878 10 30 AFEERN C=CCCC(=O)c1ccncc1C 132780800 573339685 /nfs/dbraw/zinc/33/96/85/573339685.db2.gz AULRLFWKOKMTAZ-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@H](C)C(C)C 308350537 573339865 /nfs/dbraw/zinc/33/98/65/573339865.db2.gz XZVIQZIXTGKWRW-VHSXEESVSA-N 0 0 184.279 2.786 10 30 AFEERN Cc1ccccc1[C@H](C#N)c1cc[nH]c1 259090458 573339883 /nfs/dbraw/zinc/33/98/83/573339883.db2.gz JEFBUIQWEMNNGY-CYBMUJFWSA-N 0 0 196.253 2.979 10 30 AFEERN C[C@H]1O[C@H]1c1coc2ccccc12 259422394 573339988 /nfs/dbraw/zinc/33/99/88/573339988.db2.gz UCMNOMALQHTUQK-RDDDGLTNSA-N 0 0 174.199 2.893 10 30 AFEERN C=CCCCNc1cc(N)ccc1C 308554567 573339994 /nfs/dbraw/zinc/33/99/94/573339994.db2.gz RLAXHNUUTIVOSA-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN CSc1ccccc1C1(C=O)CC1 107087127 573340008 /nfs/dbraw/zinc/34/00/08/573340008.db2.gz XKXWQXXYLDPWIU-UHFFFAOYSA-N 0 0 192.283 2.639 10 30 AFEERN Cc1ccc(C#N)c(NC2CC=CC2)c1 135549428 573341405 /nfs/dbraw/zinc/34/14/05/573341405.db2.gz OACHVJDRKVYLMY-UHFFFAOYSA-N 0 0 198.269 2.997 10 30 AFEERN CCC/C=C\C/C=C\CC=O 78016002 573340217 /nfs/dbraw/zinc/34/02/17/573340217.db2.gz GTOMPMHTTNKWHF-UTOQUPLUSA-N 0 0 152.237 2.878 10 30 AFEERN C[C@H]1O[C@@H]1c1coc2ccccc12 259422393 573340310 /nfs/dbraw/zinc/34/03/10/573340310.db2.gz UCMNOMALQHTUQK-HQJQHLMTSA-N 0 0 174.199 2.893 10 30 AFEERN C#CC(C)(C)Nc1ccccc1OC 238356166 573340759 /nfs/dbraw/zinc/34/07/59/573340759.db2.gz MZPCYMKNNLZIRI-UHFFFAOYSA-N 0 0 189.258 2.519 10 30 AFEERN CSc1ccccc1C(C)(C)C=O 107087115 573341153 /nfs/dbraw/zinc/34/11/53/573341153.db2.gz YJQHSOSHRNIJPM-UHFFFAOYSA-N 0 0 194.299 2.885 10 30 AFEERN C=C(CC)C[C@@H](O)c1ccncc1C 132814546 573341204 /nfs/dbraw/zinc/34/12/04/573341204.db2.gz GNEIHVKONYJODD-GFCCVEGCSA-N 0 0 191.274 2.780 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@@H](C)C(C)C 308350535 573343258 /nfs/dbraw/zinc/34/32/58/573343258.db2.gz XZVIQZIXTGKWRW-NXEZZACHSA-N 0 0 184.279 2.786 10 30 AFEERN C=CC[C@H](C)CC(=O)C[C@H](O)CCC 215168783 573344135 /nfs/dbraw/zinc/34/41/35/573344135.db2.gz PIPZLJSZLYYLBT-WDEREUQCSA-N 0 0 198.306 2.709 10 30 AFEERN C#Cc1c(C)cc(OC)c(C)c1C 238362732 573344032 /nfs/dbraw/zinc/34/40/32/573344032.db2.gz SFLZPFSOVPMBNY-UHFFFAOYSA-N 0 0 174.243 2.602 10 30 AFEERN C=C(CCCC)[C@@H](O)CC 143677028 573345713 /nfs/dbraw/zinc/34/57/13/573345713.db2.gz NSJKPGZRMJERSW-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN CC[C@@](C)(C#N)CCc1cccnc1 308556109 573345213 /nfs/dbraw/zinc/34/52/13/573345213.db2.gz SIOMJJDLZIFMHP-GFCCVEGCSA-N 0 0 188.274 2.954 10 30 AFEERN Cc1ccc2[nH]c(C=NO)cc2c1C 308361104 573345472 /nfs/dbraw/zinc/34/54/72/573345472.db2.gz VOZAWVTYMWYOHW-UHFFFAOYSA-N 0 0 188.230 2.593 10 30 AFEERN C=CC(=O)c1c[nH]c2cccc(F)c12 236179553 573345745 /nfs/dbraw/zinc/34/57/45/573345745.db2.gz ASILJDPODOYTCE-UHFFFAOYSA-N 0 0 189.189 2.676 10 30 AFEERN CCC[C@@H](CC#N)C(C)(F)F 258634956 573345631 /nfs/dbraw/zinc/34/56/31/573345631.db2.gz YESXZIRAFFBFHI-ZETCQYMHSA-N 0 0 161.195 2.972 10 30 AFEERN C=C[C@H](C)c1ccc(C)c(OC)c1O 238363066 573345782 /nfs/dbraw/zinc/34/57/82/573345782.db2.gz GMUHCEGHKAGJPQ-QMMMGPOBSA-N 0 0 192.258 2.999 10 30 AFEERN C[C@@H](C=O)c1ccc(F)c(Cl)c1 78100349 573346835 /nfs/dbraw/zinc/34/68/35/573346835.db2.gz JAIXXXBUENZHGE-LURJTMIESA-N 0 0 186.613 2.782 10 30 AFEERN COc1cccc(C(C)(C)S)c1 238363442 573346511 /nfs/dbraw/zinc/34/65/11/573346511.db2.gz ODQZBIOYYSOENG-UHFFFAOYSA-N 0 0 182.288 2.860 10 30 AFEERN Cc1cc(F)c(F)cc1C1(C#N)CC1 214712176 573346571 /nfs/dbraw/zinc/34/65/71/573346571.db2.gz PKPVSDDRNWGNST-UHFFFAOYSA-N 0 0 193.196 2.828 10 30 AFEERN C=CC(C)(C)c1cccc(OC)c1O 238363215 573346711 /nfs/dbraw/zinc/34/67/11/573346711.db2.gz SQLDUSRRFOEDFZ-UHFFFAOYSA-N 0 0 192.258 2.864 10 30 AFEERN C=C[C@@H](C)c1ccc(C)c(OC)c1O 238363086 573346730 /nfs/dbraw/zinc/34/67/30/573346730.db2.gz GMUHCEGHKAGJPQ-MRVPVSSYSA-N 0 0 192.258 2.999 10 30 AFEERN C/C(=C\C(=O)CC(C)C)CCCC=O 308360962 573349100 /nfs/dbraw/zinc/34/91/00/573349100.db2.gz AVMVEWZTTUFIND-PKNBQFBNSA-N 0 0 196.290 2.917 10 30 AFEERN C=CCCC[C@@H](O)c1ccncc1C 132830412 573348772 /nfs/dbraw/zinc/34/87/72/573348772.db2.gz IYDHKPKVSYXWHL-GFCCVEGCSA-N 0 0 191.274 2.780 10 30 AFEERN C=C(C)[C@H]1C[C@H](CC=O)C1(C)C 214725865 573349000 /nfs/dbraw/zinc/34/90/00/573349000.db2.gz QPUSCGRTONWCCE-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@@H](C#N)CNc1ccc(C)cc1 258635257 573349014 /nfs/dbraw/zinc/34/90/14/573349014.db2.gz LCYCXSYBVCSRMW-NSHDSACASA-N 0 0 188.274 2.957 10 30 AFEERN C[C@@H](F)Cc1cccc(CCC=O)c1 258006134 573350983 /nfs/dbraw/zinc/35/09/83/573350983.db2.gz GWCARZUTWKUMSN-SNVBAGLBSA-N 0 0 194.249 2.719 10 30 AFEERN Cc1cc2c(N)csc2cc1C#N 307080428 573351288 /nfs/dbraw/zinc/35/12/88/573351288.db2.gz GHLNIKXTPZAIRJ-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=C[C@H](O)[C@@H](C)C1CCCCC1 238366862 573352734 /nfs/dbraw/zinc/35/27/34/573352734.db2.gz SZTSKKCHKZWKQM-ONGXEEELSA-N 0 0 168.280 2.750 10 30 AFEERN COc1ccc2c(C)c(C#N)oc2c1 238367823 573353085 /nfs/dbraw/zinc/35/30/85/573353085.db2.gz LBYIKEKBZFWLBL-UHFFFAOYSA-N 0 0 187.198 2.622 10 30 AFEERN CC[C@H](C)ON=C[C@@H](C)CCC#N 308362090 573353124 /nfs/dbraw/zinc/35/31/24/573353124.db2.gz MLDOAYPDAWOZAW-UWVGGRQHSA-N 0 0 182.267 2.727 10 30 AFEERN CC[C@H](C)ON=C[C@H](C)CCC#N 308362096 573353131 /nfs/dbraw/zinc/35/31/31/573353131.db2.gz MLDOAYPDAWOZAW-ZJUUUORDSA-N 0 0 182.267 2.727 10 30 AFEERN CCCCCCC[C@H](C)NOC 132972388 573354201 /nfs/dbraw/zinc/35/42/01/573354201.db2.gz IURJPJQUBQGCCI-JTQLQIEISA-N 0 0 173.300 2.886 10 30 AFEERN CC[C@H](C)ON=Cc1cnc(C)s1 308364808 573354603 /nfs/dbraw/zinc/35/46/03/573354603.db2.gz NRMPOTKGCZZDDF-ZETCQYMHSA-N 0 0 198.291 2.601 10 30 AFEERN CC[C@@H](C)ON=C[C@H](C)CCC#N 308362088 573354900 /nfs/dbraw/zinc/35/49/00/573354900.db2.gz MLDOAYPDAWOZAW-NXEZZACHSA-N 0 0 182.267 2.727 10 30 AFEERN C#CCCSCc1ncccc1C 308362377 573355163 /nfs/dbraw/zinc/35/51/63/573355163.db2.gz FIEZNXOBDVFWDC-UHFFFAOYSA-N 0 0 191.299 2.647 10 30 AFEERN CCCc1ccc(C#N)s1 307089530 573355375 /nfs/dbraw/zinc/35/53/75/573355375.db2.gz OOVMQLVFXBAWDD-UHFFFAOYSA-N 0 0 151.234 2.572 10 30 AFEERN C=C[C@@H](O)[C@@H](C)C1CCCCC1 238366967 573355412 /nfs/dbraw/zinc/35/54/12/573355412.db2.gz SZTSKKCHKZWKQM-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)c1cccc(CCCO)c1 258009867 573355712 /nfs/dbraw/zinc/35/57/12/573355712.db2.gz MRZBDBUUGSESQY-UHFFFAOYSA-N 0 0 176.259 2.645 10 30 AFEERN Cc1cc2cc(CC=O)ccc2s1 258010332 573358053 /nfs/dbraw/zinc/35/80/53/573358053.db2.gz JBBJKKXBIDWSLY-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN C=C[C@H](C)/C(C)=C/Cl 238369086 573358097 /nfs/dbraw/zinc/35/80/97/573358097.db2.gz BZGALMSHTUJIKY-YXXZKMSWSA-N 0 0 130.618 2.951 10 30 AFEERN N#Cc1ccc(SC2CC2)cc1 258009885 573358149 /nfs/dbraw/zinc/35/81/49/573358149.db2.gz MSEAZSQEGWRRPU-UHFFFAOYSA-N 0 0 175.256 2.813 10 30 AFEERN C=CC(=O)c1cc2cccc(F)c2o1 236182352 573358131 /nfs/dbraw/zinc/35/81/31/573358131.db2.gz HXLZKYMYFMLCTL-UHFFFAOYSA-N 0 0 190.173 2.941 10 30 AFEERN C=C1CC(=O)CC[C@H]2C(=C)CC[C@H]12 214757827 573358187 /nfs/dbraw/zinc/35/81/87/573358187.db2.gz ZMGPYOBMEGEMGK-NWDGAFQWSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)C[C@@H](O)c1ccncc1CC 132863247 573358300 /nfs/dbraw/zinc/35/83/00/573358300.db2.gz YARFVBHGQZICIM-GFCCVEGCSA-N 0 0 191.274 2.644 10 30 AFEERN Cc1c(CCC#N)ccc2ccn(C)c12 259425880 573359166 /nfs/dbraw/zinc/35/91/66/573359166.db2.gz ITYVYRZWVRBHJG-UHFFFAOYSA-N 0 0 198.269 2.943 10 30 AFEERN CCCC[N@H+](CCC#N)C(C)(C)C 308363237 573359766 /nfs/dbraw/zinc/35/97/66/573359766.db2.gz MVQSCYBNGHSZAR-UHFFFAOYSA-N 0 0 182.311 2.801 10 30 AFEERN CC(C)(C#N)C(=O)c1ccc(F)cc1 258493796 573359984 /nfs/dbraw/zinc/35/99/84/573359984.db2.gz ANBAKIPCHDAWSD-UHFFFAOYSA-N 0 0 191.205 2.558 10 30 AFEERN C=C[C@H](C)c1ccc(C=O)cc1 238375904 573360120 /nfs/dbraw/zinc/36/01/20/573360120.db2.gz MJVKMEHPNHHTKI-VIFPVBQESA-N 0 0 160.216 2.789 10 30 AFEERN COCC[C@H](C)[C@]1(C#N)CC[C@@H](C)C1 308562859 573360387 /nfs/dbraw/zinc/36/03/87/573360387.db2.gz XCTZCKPYSGGUTK-GRYCIOLGSA-N 0 0 195.306 2.989 10 30 AFEERN CCCCCNN=C1CCC[C@@H]1C 308368860 573362924 /nfs/dbraw/zinc/36/29/24/573362924.db2.gz PHYJVEPCSHPQGQ-JTQLQIEISA-N 0 0 182.311 2.942 10 30 AFEERN CC[C@@H](C#N)c1ccc2[nH]cnc2c1 259429127 573362335 /nfs/dbraw/zinc/36/23/35/573362335.db2.gz YXPPFCUGLPEALS-QMMMGPOBSA-N 0 0 185.230 2.580 10 30 AFEERN CC[C@H](CC#N)N(CC(C)(C)C)OC 308562153 573362523 /nfs/dbraw/zinc/36/25/23/573362523.db2.gz FWVVVVFFFPDMKE-SNVBAGLBSA-N 0 0 198.310 2.588 10 30 AFEERN C=C(/C=C/C(=O)NC(C)(C)C)C(C)C 308368462 573362866 /nfs/dbraw/zinc/36/28/66/573362866.db2.gz NCNOKMFDZGMCDP-BQYQJAHWSA-N 0 0 195.306 2.670 10 30 AFEERN N#CCc1cc2c(F)cc(F)cc2o1 214705390 573364828 /nfs/dbraw/zinc/36/48/28/573364828.db2.gz OZTJYKMKRGQXNX-UHFFFAOYSA-N 0 0 193.152 2.777 10 30 AFEERN Cc1ccc([C@@H](C)F)cc1C#N 258007939 573365146 /nfs/dbraw/zinc/36/51/46/573365146.db2.gz MOUWHKHLAOFHAX-MRVPVSSYSA-N 0 0 163.195 2.897 10 30 AFEERN C=CC[C@H](C)C(=O)C1(OC)CCCC1 715785187 573367698 /nfs/dbraw/zinc/36/76/98/573367698.db2.gz CSPHQZKRPQOTOG-JTQLQIEISA-N 0 0 196.290 2.727 10 30 AFEERN C=C(C)c1cc(OC)cc(C)c1O 238369882 573366901 /nfs/dbraw/zinc/36/69/01/573366901.db2.gz LICGRIHFYKHWIO-UHFFFAOYSA-N 0 0 178.231 2.742 10 30 AFEERN C=CC[C@@H](C)C(=O)c1cccc(C)n1 715785184 573366905 /nfs/dbraw/zinc/36/69/05/573366905.db2.gz CSKJUJHJZYKHRE-SECBINFHSA-N 0 0 189.258 2.785 10 30 AFEERN Cc1ccc([C@@H](C)CC=O)c(F)c1 258007936 573367165 /nfs/dbraw/zinc/36/71/65/573367165.db2.gz MOUMLWIZSPFNQP-VIFPVBQESA-N 0 0 180.222 2.827 10 30 AFEERN Cc1ccc(CF)cc1CCC=O 258008108 573367271 /nfs/dbraw/zinc/36/72/71/573367271.db2.gz MRDOOEQGEOLXRX-UHFFFAOYSA-N 0 0 180.222 2.596 10 30 AFEERN CCC[C@H](C#N)[C@]1(O)CCCC[C@@H]1C 86326353 573367306 /nfs/dbraw/zinc/36/73/06/573367306.db2.gz KWULPQPGPMJFCI-TUAOUCFPSA-N 0 0 195.306 2.867 10 30 AFEERN CCC[C@@H](C#N)C1(O)CCC(C)CC1 86326328 573367548 /nfs/dbraw/zinc/36/75/48/573367548.db2.gz HCKSRYQLVLXVTG-CXQJBGSLSA-N 0 0 195.306 2.867 10 30 AFEERN C#CCCSCc1cccnc1C 308374194 573367863 /nfs/dbraw/zinc/36/78/63/573367863.db2.gz MGQUNODHWQPAJF-UHFFFAOYSA-N 0 0 191.299 2.647 10 30 AFEERN C=C[C@H](C)[C@@H](C=O)C(C)(C)C 238369602 573367872 /nfs/dbraw/zinc/36/78/72/573367872.db2.gz GOCVXHIZXKMJDZ-DTWKUNHWSA-N 0 0 154.253 2.670 10 30 AFEERN CCC[C@H](C#N)C1(O)CCC(C)CC1 86326332 573368221 /nfs/dbraw/zinc/36/82/21/573368221.db2.gz HCKSRYQLVLXVTG-MOENNCHZSA-N 0 0 195.306 2.867 10 30 AFEERN C=C(CCO)C[C@H]1CCCCS1 258319944 573368173 /nfs/dbraw/zinc/36/81/73/573368173.db2.gz WAAJOWLHRBYMSS-SNVBAGLBSA-N 0 0 186.320 2.601 10 30 AFEERN Cc1ccc(-c2coc(N)c2C#N)cc1 33464724 573372301 /nfs/dbraw/zinc/37/23/01/573372301.db2.gz KIWZDKCIQAEOBL-UHFFFAOYSA-N 0 0 198.225 2.709 10 30 AFEERN CC[C@](C)(C=O)[C@H]1CCC[C@H](OC)C1 317608109 573372354 /nfs/dbraw/zinc/37/23/54/573372354.db2.gz SQSVDCKSRSBWQS-SDDRHHMPSA-N 0 0 198.306 2.807 10 30 AFEERN Cc1cc(O)c([C@@H](C)CC=O)cc1F 258014103 573372964 /nfs/dbraw/zinc/37/29/64/573372964.db2.gz HPRLRGKLRDEYHU-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN N#C[C@H]1CCCc2ccsc21 117856429 573372478 /nfs/dbraw/zinc/37/24/78/573372478.db2.gz NAEABLQWNLNRLH-MRVPVSSYSA-N 0 0 163.245 2.692 10 30 AFEERN C=C[C@H](C)[C@H]1C(=O)CC[C@@H]1C=C 238372049 573372563 /nfs/dbraw/zinc/37/25/63/573372563.db2.gz QPRCLXZYBAHJKH-ATZCPNFKSA-N 0 0 164.248 2.590 10 30 AFEERN O=CCc1csc2cc(F)ccc12 258322794 573372659 /nfs/dbraw/zinc/37/26/59/573372659.db2.gz WOPQUAISCWVJOM-UHFFFAOYSA-N 0 0 194.230 2.782 10 30 AFEERN Cc1cc(O)c([C@H](C)CC=O)cc1F 258014097 573372736 /nfs/dbraw/zinc/37/27/36/573372736.db2.gz HPRLRGKLRDEYHU-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN C=CC[C@@H](C)C(C)=NN[C@H](C)CC 308367115 573372776 /nfs/dbraw/zinc/37/27/76/573372776.db2.gz ONXUCGHXZGMYLB-NXEZZACHSA-N 0 0 182.311 2.963 10 30 AFEERN C=CC(=O)C1(OCC)CCCCCC1 159466105 573372795 /nfs/dbraw/zinc/37/27/95/573372795.db2.gz XYRQTVJDLMJLEC-UHFFFAOYSA-N 0 0 196.290 2.871 10 30 AFEERN CCCCCNN=C1CCC1(C)C 308367090 573372847 /nfs/dbraw/zinc/37/28/47/573372847.db2.gz OMMZNCIOPWRNSC-UHFFFAOYSA-N 0 0 182.311 2.942 10 30 AFEERN CCC[C@H](C#N)C(C)(C)F 258492935 573372867 /nfs/dbraw/zinc/37/28/67/573372867.db2.gz KKBAHDPECGLCTG-SSDOTTSWSA-N 0 0 143.205 2.674 10 30 AFEERN CCC[C@@H](C#N)C(C)(C)F 258492950 573372915 /nfs/dbraw/zinc/37/29/15/573372915.db2.gz KKBAHDPECGLCTG-ZETCQYMHSA-N 0 0 143.205 2.674 10 30 AFEERN C=C[C@H](C)[C@@H](O)c1ccccc1C 238371309 573373069 /nfs/dbraw/zinc/37/30/69/573373069.db2.gz GWDZAYJFYWZALN-JOYOIKCWSA-N 0 0 176.259 2.851 10 30 AFEERN CCCC/C=C/[C@@H](C=O)C(C)(C)OC 308376391 573373613 /nfs/dbraw/zinc/37/36/13/573373613.db2.gz ZWJGVZYGVYCOBY-FBOQAHMBSA-N 0 0 198.306 2.973 10 30 AFEERN C=CC[C@@H](C)Oc1ccccc1C#N 715786068 573373719 /nfs/dbraw/zinc/37/37/19/573373719.db2.gz GYWLFLORDQZUBI-SNVBAGLBSA-N 0 0 187.242 2.902 10 30 AFEERN CC(C)=CC(=O)Cc1nc(C)cs1 117873361 573373867 /nfs/dbraw/zinc/37/38/67/573373867.db2.gz BQYTVWSYCUXHAR-UHFFFAOYSA-N 0 0 195.287 2.529 10 30 AFEERN C(=N\Cc1ccco1)\c1cccs1 686253507 573373969 /nfs/dbraw/zinc/37/39/69/573373969.db2.gz KVRSMSAOGQTJAA-FLIBITNWSA-N 0 0 191.255 2.960 10 30 AFEERN C=CC[C@H](C)C(=O)c1ncccc1C 715785916 573373988 /nfs/dbraw/zinc/37/39/88/573373988.db2.gz GKCQFRIKVPRVJB-JTQLQIEISA-N 0 0 189.258 2.785 10 30 AFEERN Cc1nc([C@@H](C#N)C(C)C)cs1 259430201 573376623 /nfs/dbraw/zinc/37/66/23/573376623.db2.gz VYQAUEKWAYIZJN-QMMMGPOBSA-N 0 0 180.276 2.715 10 30 AFEERN c1cc2c(cc1[C@H]1CO1)CCCS2 259430638 573374763 /nfs/dbraw/zinc/37/47/63/573374763.db2.gz UPLVVMZAANALEO-SNVBAGLBSA-N 0 0 192.283 2.796 10 30 AFEERN CC(C)=CC(=O)Cc1ccccc1 117873124 573374628 /nfs/dbraw/zinc/37/46/28/573374628.db2.gz LLBPUPONILHKTA-UHFFFAOYSA-N 0 0 174.243 2.764 10 30 AFEERN CC(C)c1ccc(F)c(C#N)c1F 258015654 573374656 /nfs/dbraw/zinc/37/46/56/573374656.db2.gz NKLPKBSTUGIPCZ-UHFFFAOYSA-N 0 0 181.185 2.960 10 30 AFEERN CCCC/C=C/[C@H](C=O)C(C)(C)OC 308376390 573374742 /nfs/dbraw/zinc/37/47/42/573374742.db2.gz ZWJGVZYGVYCOBY-ANYFNZRUSA-N 0 0 198.306 2.973 10 30 AFEERN c1cc2c(cc1[C@@H]1CO1)CCCS2 259430635 573375032 /nfs/dbraw/zinc/37/50/32/573375032.db2.gz UPLVVMZAANALEO-JTQLQIEISA-N 0 0 192.283 2.796 10 30 AFEERN CC(C)=CC(=O)Cc1cccs1 117873331 573375194 /nfs/dbraw/zinc/37/51/94/573375194.db2.gz DANBTQOAXMSGQW-UHFFFAOYSA-N 0 0 180.272 2.826 10 30 AFEERN CC(C)=CC(=O)c1ccccc1F 117873386 573375232 /nfs/dbraw/zinc/37/52/32/573375232.db2.gz FFNYGDALRQVDRF-UHFFFAOYSA-N 0 0 178.206 2.975 10 30 AFEERN CC(C)=CC(=O)CSC(C)C 117873501 573375237 /nfs/dbraw/zinc/37/52/37/573375237.db2.gz XLOQHYWNQSYOJM-UHFFFAOYSA-N 0 0 172.293 2.663 10 30 AFEERN COc1cccc(C(=O)C=C(C)C)c1 117873082 573375355 /nfs/dbraw/zinc/37/53/55/573375355.db2.gz FVEJMYPGWSGHCS-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN C=CC(=O)Cc1ccc(Cl)c(F)c1 236195303 573375493 /nfs/dbraw/zinc/37/54/93/573375493.db2.gz IFSQFEKWXGSSOO-UHFFFAOYSA-N 0 0 198.624 2.777 10 30 AFEERN CC[C@@H](C)C(=O)C=C(C)C 117873412 573375554 /nfs/dbraw/zinc/37/55/54/573375554.db2.gz DYURUUVPTPFUIO-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN CC(C)=CC(=O)c1cccc(F)c1 117873103 573375659 /nfs/dbraw/zinc/37/56/59/573375659.db2.gz SPHNNPGCZSWLTH-UHFFFAOYSA-N 0 0 178.206 2.975 10 30 AFEERN COc1ccc(C(=O)C=C(C)C)cc1 117873073 573375695 /nfs/dbraw/zinc/37/56/95/573375695.db2.gz CHAXKMMRXJZVLY-UHFFFAOYSA-N 0 0 190.242 2.844 10 30 AFEERN CC(C)=CC(=O)Cc1csc(C)n1 117873364 573375736 /nfs/dbraw/zinc/37/57/36/573375736.db2.gz GSOQNYCLXMZACL-UHFFFAOYSA-N 0 0 195.287 2.529 10 30 AFEERN N#Cc1cc2c(F)csc2cc1O 306627988 573375747 /nfs/dbraw/zinc/37/57/47/573375747.db2.gz ZWTMACQNVGOMLJ-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN CON(CCCCC#N)CC(C)(C)C 308565176 573378522 /nfs/dbraw/zinc/37/85/22/573378522.db2.gz HHTSYTBOVIRZKN-UHFFFAOYSA-N 0 0 198.310 2.590 10 30 AFEERN C=CC[C@@H](C)C(=O)c1ncccc1F 715787286 573376070 /nfs/dbraw/zinc/37/60/70/573376070.db2.gz LTTLBYBQMITTCE-MRVPVSSYSA-N 0 0 193.221 2.616 10 30 AFEERN CC(C)=CC(=O)[C@@H]1CC[C@H](C)C1 117873620 573376095 /nfs/dbraw/zinc/37/60/95/573376095.db2.gz JNKZDESFACNSCX-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CCCC1([C@H](C#N)C(C)C)COC1 258493082 573376167 /nfs/dbraw/zinc/37/61/67/573376167.db2.gz DBVXTKASOSQOPY-SNVBAGLBSA-N 0 0 181.279 2.599 10 30 AFEERN CC(C)=CC(=O)Cc1ccc(F)cc1 117873163 573376388 /nfs/dbraw/zinc/37/63/88/573376388.db2.gz QYTBUAFRYSOZJO-UHFFFAOYSA-N 0 0 192.233 2.904 10 30 AFEERN C=CC[C@H](C)C(=O)c1ncccc1F 715787287 573376634 /nfs/dbraw/zinc/37/66/34/573376634.db2.gz LTTLBYBQMITTCE-QMMMGPOBSA-N 0 0 193.221 2.616 10 30 AFEERN N#Cc1sc2ccc(O)cc2c1F 306627145 573376810 /nfs/dbraw/zinc/37/68/10/573376810.db2.gz ZKUKHIHKYYRNBR-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN CC(C)=CC(=O)c1ccsc1 117873143 573376818 /nfs/dbraw/zinc/37/68/18/573376818.db2.gz BZKKGDGYHURUMC-UHFFFAOYSA-N 0 0 166.245 2.897 10 30 AFEERN C=C(C)c1nc(C(C)C)co1 259092872 573377852 /nfs/dbraw/zinc/37/78/52/573377852.db2.gz DIGILRRICLQSLS-UHFFFAOYSA-N 0 0 151.209 2.831 10 30 AFEERN C=CC(=O)Cc1ccc(F)c(Cl)c1 236200175 573376926 /nfs/dbraw/zinc/37/69/26/573376926.db2.gz LGCPZRLQZGHQKA-UHFFFAOYSA-N 0 0 198.624 2.777 10 30 AFEERN CC[C@H](C=O)CCC(C)C 107156927 573376945 /nfs/dbraw/zinc/37/69/45/573376945.db2.gz HESMMEIXCMBNNJ-VIFPVBQESA-N 0 0 142.242 2.648 10 30 AFEERN CC[C@@H](C=O)CCC(C)C 107156932 573376993 /nfs/dbraw/zinc/37/69/93/573376993.db2.gz HESMMEIXCMBNNJ-SECBINFHSA-N 0 0 142.242 2.648 10 30 AFEERN C=C(C)c1cccc(C2(O)CC2)c1 258017951 573377030 /nfs/dbraw/zinc/37/70/30/573377030.db2.gz NWNIFCLGPUEKDG-UHFFFAOYSA-N 0 0 174.243 2.701 10 30 AFEERN C=CCCCNc1cc(C)cc(N)c1 308566161 573377076 /nfs/dbraw/zinc/37/70/76/573377076.db2.gz YKFKCTQUUHWWGF-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN O=CCc1coc2cc(Cl)ccc12 258327167 573377214 /nfs/dbraw/zinc/37/72/14/573377214.db2.gz WWDKWHYTIYUCGW-UHFFFAOYSA-N 0 0 194.617 2.828 10 30 AFEERN CC[C@@H](CC=O)CC(C)C 107156935 573377247 /nfs/dbraw/zinc/37/72/47/573377247.db2.gz RWBMIXCNOIIJQL-VIFPVBQESA-N 0 0 142.242 2.648 10 30 AFEERN CC(C)CCOC1CCC(=NO)CC1 129647429 573377343 /nfs/dbraw/zinc/37/73/43/573377343.db2.gz OYUIMXGKIFRQJZ-UHFFFAOYSA-N 0 0 199.294 2.822 10 30 AFEERN CC(C)=CC(=O)[C@H]1Cc2ccccc21 117873488 573377472 /nfs/dbraw/zinc/37/74/72/573377472.db2.gz LGDKPRQHXOBWIP-LBPRGKRZSA-N 0 0 186.254 2.862 10 30 AFEERN CC(C)=CC(=O)c1ncccc1C 117873283 573377492 /nfs/dbraw/zinc/37/74/92/573377492.db2.gz DGHLSADTGLCSIJ-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN CCCC1([C@@H](C#N)C(C)C)COC1 258493079 573377723 /nfs/dbraw/zinc/37/77/23/573377723.db2.gz DBVXTKASOSQOPY-JTQLQIEISA-N 0 0 181.279 2.599 10 30 AFEERN CC(C)=CC(=O)[C@@H]1Cc2ccccc21 117873487 573377759 /nfs/dbraw/zinc/37/77/59/573377759.db2.gz LGDKPRQHXOBWIP-GFCCVEGCSA-N 0 0 186.254 2.862 10 30 AFEERN C=CC[C@H](C)N(C)C1(C#N)CCCC1 715788982 573377819 /nfs/dbraw/zinc/37/78/19/573377819.db2.gz TUSPCOHJAHDKJN-NSHDSACASA-N 0 0 192.306 2.719 10 30 AFEERN Cc1nc([C@H](C#N)C(C)C)cs1 259430200 573377914 /nfs/dbraw/zinc/37/79/14/573377914.db2.gz VYQAUEKWAYIZJN-MRVPVSSYSA-N 0 0 180.276 2.715 10 30 AFEERN Cc1ccc(F)c([C@H](C)CC=O)c1 258017895 573377946 /nfs/dbraw/zinc/37/79/46/573377946.db2.gz NTFQVXXVCBAXNO-SECBINFHSA-N 0 0 180.222 2.827 10 30 AFEERN CC(C)=CC(=O)Cc1cccc(F)c1 117873224 573377965 /nfs/dbraw/zinc/37/79/65/573377965.db2.gz KFWRWRBESFDAJU-UHFFFAOYSA-N 0 0 192.233 2.904 10 30 AFEERN C=C[C@H](C)[C@]1(C)C=CC(=O)CC1 238372464 573378030 /nfs/dbraw/zinc/37/80/30/573378030.db2.gz YNWKZASLXINEOV-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN C=CCCCNc1cccc(C)c1N 308566143 573378060 /nfs/dbraw/zinc/37/80/60/573378060.db2.gz YJZDPOJFOWHHJJ-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN Cc1ccc(F)c([C@@H](C)CC=O)c1 258017896 573378176 /nfs/dbraw/zinc/37/81/76/573378176.db2.gz NTFQVXXVCBAXNO-VIFPVBQESA-N 0 0 180.222 2.827 10 30 AFEERN CC(F)(F)[C@@H](CC#N)C1CC1 258641184 573378323 /nfs/dbraw/zinc/37/83/23/573378323.db2.gz YSYPESVQCAWFGX-ZETCQYMHSA-N 0 0 159.179 2.581 10 30 AFEERN CC(C)=CC(=O)C(C)(C)C 117873208 573378325 /nfs/dbraw/zinc/37/83/25/573378325.db2.gz OAGTWOAEPNSOJA-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN Cc1ccc2scc(C#N)c2c1N 306629565 573378516 /nfs/dbraw/zinc/37/85/16/573378516.db2.gz CIUHVGYIANWGAS-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CC[C@@](C#N)(C1CC1)N1CCCCC1 83058776 573380585 /nfs/dbraw/zinc/38/05/85/573380585.db2.gz ZGKNWEJRFDBRKA-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN C=C[C@@H](CC)OC(=O)CCC(F)F 308370601 573381407 /nfs/dbraw/zinc/38/14/07/573381407.db2.gz QAKQPZINKWIDCL-ZETCQYMHSA-N 0 0 192.205 2.540 10 30 AFEERN C=C[C@H](C)c1[nH]c(C)cc1C 238375248 573382713 /nfs/dbraw/zinc/38/27/13/573382713.db2.gz JAYDFMZNMIUPTC-ZETCQYMHSA-N 0 0 149.237 2.921 10 30 AFEERN CCC(C=NNC[C@H]1C[C@H]1C)CC 308377435 573382730 /nfs/dbraw/zinc/38/27/30/573382730.db2.gz SXAAXTWXAZWQLG-MWLCHTKSSA-N 0 0 182.311 2.654 10 30 AFEERN CC[C@@H](C=O)CC1CCCC1 107158157 573385228 /nfs/dbraw/zinc/38/52/28/573385228.db2.gz NXOKKWJUGOAARQ-SECBINFHSA-N 0 0 154.253 2.792 10 30 AFEERN C=CC[C@H](C)Oc1ccc(C#N)cc1 715788930 573384695 /nfs/dbraw/zinc/38/46/95/573384695.db2.gz SKLSLNMQMGJXSS-JTQLQIEISA-N 0 0 187.242 2.902 10 30 AFEERN Cc1ccc(/C=C\CC=O)cc1 118008758 573384993 /nfs/dbraw/zinc/38/49/93/573384993.db2.gz MNOIBHWZURASGQ-RQOWECAXSA-N 0 0 160.216 2.597 10 30 AFEERN CC#CCCOc1ccc(CC#N)cc1 133193426 573386749 /nfs/dbraw/zinc/38/67/49/573386749.db2.gz DZQDRJMQTXUUSI-UHFFFAOYSA-N 0 0 199.253 2.545 10 30 AFEERN C[C@H](CC=O)c1cccc(F)c1 107161044 573387090 /nfs/dbraw/zinc/38/70/90/573387090.db2.gz APYSJWYPXWSAON-MRVPVSSYSA-N 0 0 166.195 2.518 10 30 AFEERN O=C[C@H](C1CCCCC1)C1CC1 107161328 573387201 /nfs/dbraw/zinc/38/72/01/573387201.db2.gz JDOKCCHSMNVFEL-LLVKDONJSA-N 0 0 166.264 2.792 10 30 AFEERN C[C@@H](CC=O)c1cccc(F)c1 107161042 573387339 /nfs/dbraw/zinc/38/73/39/573387339.db2.gz APYSJWYPXWSAON-QMMMGPOBSA-N 0 0 166.195 2.518 10 30 AFEERN CSc1ccc(F)c(CCC=O)c1 259434806 573387634 /nfs/dbraw/zinc/38/76/34/573387634.db2.gz LDDYPFGDAFSVGV-UHFFFAOYSA-N 0 0 198.262 2.679 10 30 AFEERN C[C@H](CC=O)c1ccccc1F 107161052 573387845 /nfs/dbraw/zinc/38/78/45/573387845.db2.gz NPUUGRWNDIZKGC-MRVPVSSYSA-N 0 0 166.195 2.518 10 30 AFEERN CC(=C1SCCS1)[C@@H](C)C=O 238377089 573387987 /nfs/dbraw/zinc/38/79/87/573387987.db2.gz UXBQQMLGAPZIMG-LURJTMIESA-N 0 0 188.317 2.533 10 30 AFEERN C/C(=C\c1ccccc1)[C@@H](C)C=O 238376684 573388029 /nfs/dbraw/zinc/38/80/29/573388029.db2.gz SEVKNRPPLSFBRB-UQSGXBNBSA-N 0 0 174.243 2.925 10 30 AFEERN O=C[C@@H](C1CCCCC1)C1CC1 107161330 573388122 /nfs/dbraw/zinc/38/81/22/573388122.db2.gz JDOKCCHSMNVFEL-NSHDSACASA-N 0 0 166.264 2.792 10 30 AFEERN CC[C@@H](C=O)c1cccc(C)c1 107159830 573388221 /nfs/dbraw/zinc/38/82/21/573388221.db2.gz CCRHHJRANYRDLL-JTQLQIEISA-N 0 0 162.232 2.688 10 30 AFEERN C=C(Cl)CN[C@@H](C)c1occc1C 129789112 573388339 /nfs/dbraw/zinc/38/83/39/573388339.db2.gz MKDNFVDWPYNGCZ-VIFPVBQESA-N 0 0 199.681 2.991 10 30 AFEERN C=C[C@@H](C)c1c(O)ccc(OC)c1C 238379595 573391299 /nfs/dbraw/zinc/39/12/99/573391299.db2.gz MEEVJIFVMROUIQ-MRVPVSSYSA-N 0 0 192.258 2.999 10 30 AFEERN C=C[C@H](C)c1c(O)ccc(OC)c1C 238378921 573391541 /nfs/dbraw/zinc/39/15/41/573391541.db2.gz MEEVJIFVMROUIQ-QMMMGPOBSA-N 0 0 192.258 2.999 10 30 AFEERN C[C@@H](CC=O)c1ccccc1F 107161049 573390872 /nfs/dbraw/zinc/39/08/72/573390872.db2.gz NPUUGRWNDIZKGC-QMMMGPOBSA-N 0 0 166.195 2.518 10 30 AFEERN COc1c(Cl)ccc(C)c1C#N 258011562 573390924 /nfs/dbraw/zinc/39/09/24/573390924.db2.gz HMTKZAIZSABZAA-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN CC[C@H](C=O)Cc1cccs1 107162187 573392128 /nfs/dbraw/zinc/39/21/28/573392128.db2.gz KSEMJGFNCYAHNX-QMMMGPOBSA-N 0 0 168.261 2.516 10 30 AFEERN Cc1cc(C)c2ccnc(CC#N)c2c1 259610642 573391055 /nfs/dbraw/zinc/39/10/55/573391055.db2.gz GPXFGKFLRXOYKS-UHFFFAOYSA-N 0 0 196.253 2.918 10 30 AFEERN N#C[C@]1(CCCCCF)CCCOC1 308568453 573391099 /nfs/dbraw/zinc/39/10/99/573391099.db2.gz ZSJORDIDWYCSCK-NSHDSACASA-N 0 0 199.269 2.837 10 30 AFEERN C[C@@H](CC=O)c1ccc(F)cc1 107161046 573391242 /nfs/dbraw/zinc/39/12/42/573391242.db2.gz NRXJGISSCQUNBQ-QMMMGPOBSA-N 0 0 166.195 2.518 10 30 AFEERN Cc1ccccc1[C@H](C)CC=O 107159822 573391263 /nfs/dbraw/zinc/39/12/63/573391263.db2.gz KVCHDKXCDQUMRM-SNVBAGLBSA-N 0 0 162.232 2.688 10 30 AFEERN CN(c1ccccc1C#N)C1CCC1 135605473 573391324 /nfs/dbraw/zinc/39/13/24/573391324.db2.gz GVCYDFQPBVWNAT-UHFFFAOYSA-N 0 0 186.258 2.547 10 30 AFEERN C=C[C@@H](C)c1cc(OC)ccc1O 238379578 573391444 /nfs/dbraw/zinc/39/14/44/573391444.db2.gz DTIDQIQEORPPHQ-MRVPVSSYSA-N 0 0 178.231 2.690 10 30 AFEERN CC(C)C[C@@H](C#N)C(F)(F)F 258494998 573391447 /nfs/dbraw/zinc/39/14/47/573391447.db2.gz KLGIVOBISGBJJS-LURJTMIESA-N 0 0 165.158 2.735 10 30 AFEERN CC[C@@H](C=O)c1sccc1C 107162207 573392139 /nfs/dbraw/zinc/39/21/39/573392139.db2.gz RMEYKGNLNKVMQG-QMMMGPOBSA-N 0 0 168.261 2.749 10 30 AFEERN CC(C)[C@@](C)(C#N)C[C@H](O)C(C)(C)C 308569859 573391705 /nfs/dbraw/zinc/39/17/05/573391705.db2.gz DFEFYISTOJRPIM-CMPLNLGQSA-N 0 0 197.322 2.969 10 30 AFEERN C[C@@H](/C=C/C#Cc1ccccc1)CC=O 215184206 573391792 /nfs/dbraw/zinc/39/17/92/573391792.db2.gz DJZXEBKJEQUPRW-IYNGYCSASA-N 0 0 198.265 2.819 10 30 AFEERN O=C[C@@H](c1cccc(F)c1)C1CC1 107166346 573391816 /nfs/dbraw/zinc/39/18/16/573391816.db2.gz ZWLLRRHQSZYSTP-LLVKDONJSA-N 0 0 178.206 2.518 10 30 AFEERN Cc1ccc([C@@H](C)CC=O)s1 107162190 573391860 /nfs/dbraw/zinc/39/18/60/573391860.db2.gz RNBNRNJQHWTUOV-ZETCQYMHSA-N 0 0 168.261 2.749 10 30 AFEERN C[C@@H](/C=C\C#Cc1ccccc1)CC=O 215184158 573392039 /nfs/dbraw/zinc/39/20/39/573392039.db2.gz DJZXEBKJEQUPRW-VGVVRCBHSA-N 0 0 198.265 2.819 10 30 AFEERN Cc1ccsc1[C@H](C)CC=O 107162196 573392052 /nfs/dbraw/zinc/39/20/52/573392052.db2.gz HXKFCFKPSITGQO-SSDOTTSWSA-N 0 0 168.261 2.749 10 30 AFEERN CCCCCCCC1=N[C@@H](C)C(=O)O1 308570281 573393013 /nfs/dbraw/zinc/39/30/13/573393013.db2.gz DODXHPWOGNSSHK-VIFPVBQESA-N 0 0 197.278 2.691 10 30 AFEERN CCCC1(C(=O)C2=CCCCO2)CC1 308569487 573393034 /nfs/dbraw/zinc/39/30/34/573393034.db2.gz BLYZTNLMWVCLFH-UHFFFAOYSA-N 0 0 194.274 2.830 10 30 AFEERN C=C(CC(=O)OCC)c1ccccc1 78413587 573393155 /nfs/dbraw/zinc/39/31/55/573393155.db2.gz FAIYJJBNQCYTDT-UHFFFAOYSA-N 0 0 190.242 2.653 10 30 AFEERN C=CC[C@@](CC)(CO)c1ccccc1 308570256 573393198 /nfs/dbraw/zinc/39/31/98/573393198.db2.gz DNKNGOIWKRNWBX-ZDUSSCGKSA-N 0 0 190.286 2.903 10 30 AFEERN CC[C@@H](C=O)c1cc(C)cc(C)c1 107165231 573393221 /nfs/dbraw/zinc/39/32/21/573393221.db2.gz DPWAHXSMJHGRFN-NSHDSACASA-N 0 0 176.259 2.996 10 30 AFEERN CC[C@H](CC=O)c1cccs1 107162199 573393267 /nfs/dbraw/zinc/39/32/67/573393267.db2.gz ZOQJDMGDOHGZRN-MRVPVSSYSA-N 0 0 168.261 2.831 10 30 AFEERN CC(C)[C@](C)(C#N)C[C@@H](O)C(C)(C)C 308569861 573393328 /nfs/dbraw/zinc/39/33/28/573393328.db2.gz DFEFYISTOJRPIM-PWSUYJOCSA-N 0 0 197.322 2.969 10 30 AFEERN O=C[C@@H](c1ccccc1F)C1CC1 107166352 573393387 /nfs/dbraw/zinc/39/33/87/573393387.db2.gz PDZVVBPUNXZJTO-SNVBAGLBSA-N 0 0 178.206 2.518 10 30 AFEERN Cc1ccc([C@H](C)CC=O)s1 107162192 573393404 /nfs/dbraw/zinc/39/34/04/573393404.db2.gz RNBNRNJQHWTUOV-SSDOTTSWSA-N 0 0 168.261 2.749 10 30 AFEERN O=CC12CCC(Cl)(CC1)CC2 224092626 573393466 /nfs/dbraw/zinc/39/34/66/573393466.db2.gz MSNDQDMAESQHMA-UHFFFAOYSA-N 0 0 172.655 2.517 10 30 AFEERN Cc1ccsc1[C@@H](C)CC=O 107162194 573394199 /nfs/dbraw/zinc/39/41/99/573394199.db2.gz HXKFCFKPSITGQO-ZETCQYMHSA-N 0 0 168.261 2.749 10 30 AFEERN O=C[C@H](c1ccccc1F)C1CC1 107166349 573394206 /nfs/dbraw/zinc/39/42/06/573394206.db2.gz PDZVVBPUNXZJTO-JTQLQIEISA-N 0 0 178.206 2.518 10 30 AFEERN CCCCCC#CCCCC=O 217400747 573394237 /nfs/dbraw/zinc/39/42/37/573394237.db2.gz QWBFSDKDNZXREX-UHFFFAOYSA-N 0 0 166.264 2.939 10 30 AFEERN CCC(CC)C[C@@]1(C#N)CCCCN1 308570442 573394290 /nfs/dbraw/zinc/39/42/90/573394290.db2.gz BUEFQPPDOWSWOO-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN Cc1cccc([C@@H](C=O)C(C)C)c1 107165237 573394375 /nfs/dbraw/zinc/39/43/75/573394375.db2.gz CPGJSHPASSRMEJ-LBPRGKRZSA-N 0 0 176.259 2.934 10 30 AFEERN O=C[C@H](c1cccc(F)c1)C1CC1 107166343 573394379 /nfs/dbraw/zinc/39/43/79/573394379.db2.gz ZWLLRRHQSZYSTP-NSHDSACASA-N 0 0 178.206 2.518 10 30 AFEERN CCc1csc(C[C@@H](C#N)CC)n1 259438378 573394382 /nfs/dbraw/zinc/39/43/82/573394382.db2.gz YENGJILIDLKDIM-QMMMGPOBSA-N 0 0 194.303 2.798 10 30 AFEERN CC[C@H](C=O)c1sccc1C 107162210 573394419 /nfs/dbraw/zinc/39/44/19/573394419.db2.gz RMEYKGNLNKVMQG-MRVPVSSYSA-N 0 0 168.261 2.749 10 30 AFEERN C=CC[C@](CC)(CO)c1ccccc1 308570253 573394424 /nfs/dbraw/zinc/39/44/24/573394424.db2.gz DNKNGOIWKRNWBX-CYBMUJFWSA-N 0 0 190.286 2.903 10 30 AFEERN CCS[C@H](C#N)[C@H](C)CC 86386799 573394431 /nfs/dbraw/zinc/39/44/31/573394431.db2.gz IANZHHZVMYSLOE-HTQZYQBOSA-N 0 0 157.282 2.678 10 30 AFEERN C[C@H](/C=C\C#Cc1ccccc1)CC=O 215184061 573394447 /nfs/dbraw/zinc/39/44/47/573394447.db2.gz DJZXEBKJEQUPRW-SCXUMTSISA-N 0 0 198.265 2.819 10 30 AFEERN CCc1csc(C[C@H](C#N)CC)n1 259438377 573394458 /nfs/dbraw/zinc/39/44/58/573394458.db2.gz YENGJILIDLKDIM-MRVPVSSYSA-N 0 0 194.303 2.798 10 30 AFEERN Cc1cc([C@@H](C)CC=O)ccc1F 107168508 573394514 /nfs/dbraw/zinc/39/45/14/573394514.db2.gz SZMYWMVFZAZCNQ-QMMMGPOBSA-N 0 0 180.222 2.827 10 30 AFEERN CC[C@H](C=O)c1cc(C)cc(C)c1 107165234 573394669 /nfs/dbraw/zinc/39/46/69/573394669.db2.gz DPWAHXSMJHGRFN-LLVKDONJSA-N 0 0 176.259 2.996 10 30 AFEERN CCS[C@H](C#N)[C@@H](C)CC 86386801 573394765 /nfs/dbraw/zinc/39/47/65/573394765.db2.gz IANZHHZVMYSLOE-JGVFFNPUSA-N 0 0 157.282 2.678 10 30 AFEERN C[C@@H]([C@@H](C)C=O)C(C)(C)C 238379869 573395043 /nfs/dbraw/zinc/39/50/43/573395043.db2.gz QHIYWEKIXDBXBV-YUMQZZPRSA-N 0 0 142.242 2.504 10 30 AFEERN CCS[C@@H](C#N)[C@H](C)CC 86386803 573397150 /nfs/dbraw/zinc/39/71/50/573397150.db2.gz IANZHHZVMYSLOE-SFYZADRCSA-N 0 0 157.282 2.678 10 30 AFEERN C=C(C)CC1=C[C@H]2C(=O)C[C@]2(C)C1 224096955 573401113 /nfs/dbraw/zinc/40/11/13/573401113.db2.gz SWOWTOAPRPFXQA-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CO[C@@]1(C)CC[C@@H]2CCCC[C@@]21C=O 238388488 573401124 /nfs/dbraw/zinc/40/11/24/573401124.db2.gz GPGCDSZKECORDC-SDDRHHMPSA-N 0 0 196.290 2.561 10 30 AFEERN C=C1C(=O)c2ccc(C)cc2[C@@H]1C 238387852 573400985 /nfs/dbraw/zinc/40/09/85/573400985.db2.gz RVRDTSOPUFJGCJ-MRVPVSSYSA-N 0 0 172.227 2.851 10 30 AFEERN Cc1ccc([C@](C)(F)C=O)c(C)c1 257810285 573400418 /nfs/dbraw/zinc/40/04/18/573400418.db2.gz AJKNMOUTCKBDAA-LLVKDONJSA-N 0 0 180.222 2.687 10 30 AFEERN C/N=C(/CCc1ccco1)SC 258493971 573400536 /nfs/dbraw/zinc/40/05/36/573400536.db2.gz APGJHKBYXOGACB-KTKRTIGZSA-N 0 0 183.276 2.604 10 30 AFEERN CC[C@@H](C#N)CNc1ccc(F)cc1 258642945 573400737 /nfs/dbraw/zinc/40/07/37/573400737.db2.gz LXCJVLUNIFVBCR-VIFPVBQESA-N 0 0 192.237 2.787 10 30 AFEERN C[C@@H](C=O)c1ccc(Cl)c(F)c1 107173222 573400895 /nfs/dbraw/zinc/40/08/95/573400895.db2.gz HIELYEGBCPJCCY-LURJTMIESA-N 0 0 186.613 2.782 10 30 AFEERN CC(C)=CC(=O)CCC(C)C 118422277 573401694 /nfs/dbraw/zinc/40/16/94/573401694.db2.gz WWINVRWEGUJYKI-UHFFFAOYSA-N 0 0 154.253 2.958 10 30 AFEERN CC[C@H](O)C[C@@]1(C#N)CC[C@@H](CC)C1 308572224 573401700 /nfs/dbraw/zinc/40/17/00/573401700.db2.gz FOMICMLBMNTUPX-GRYCIOLGSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1cc(O)ccc1[C@@H](C)CC#N 238388459 573401957 /nfs/dbraw/zinc/40/19/57/573401957.db2.gz QPVQHSAMKOQYTE-QMMMGPOBSA-N 0 0 175.231 2.718 10 30 AFEERN C=CCOc1ccc(OC)cc1C=C 39090361 573401986 /nfs/dbraw/zinc/40/19/86/573401986.db2.gz RIOKMWQKLFABEX-UHFFFAOYSA-N 0 0 190.242 2.903 10 30 AFEERN O=C[C@@H](c1cc(F)ccc1F)C1CC1 107186325 573402217 /nfs/dbraw/zinc/40/22/17/573402217.db2.gz ATCPFGIALNPVTG-SNVBAGLBSA-N 0 0 196.196 2.657 10 30 AFEERN C=C[C@H](C)Nc1cccc(OC)c1F 690044573 573402225 /nfs/dbraw/zinc/40/22/25/573402225.db2.gz BKVGGCJJVBXJRA-QMMMGPOBSA-N 0 0 195.237 2.821 10 30 AFEERN CC1(C)C[C@H](C#N)C(=O)C(C)(C)C1 118398075 573402318 /nfs/dbraw/zinc/40/23/18/573402318.db2.gz FBJMGTDBZLYDBX-MRVPVSSYSA-N 0 0 179.263 2.541 10 30 AFEERN C=C(C)CC1=C[C@@H]2C(=O)C[C@@]2(C)C1 224097002 573402458 /nfs/dbraw/zinc/40/24/58/573402458.db2.gz SWOWTOAPRPFXQA-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CC1(C)C[C@@H](C#N)C(=O)C(C)(C)C1 118398073 573402567 /nfs/dbraw/zinc/40/25/67/573402567.db2.gz FBJMGTDBZLYDBX-QMMMGPOBSA-N 0 0 179.263 2.541 10 30 AFEERN C=C(C)CC1=C[C@H]2C(=O)C[C@@]2(C)C1 224097053 573403052 /nfs/dbraw/zinc/40/30/52/573403052.db2.gz SWOWTOAPRPFXQA-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN CCCC(CC)=NN[C@@H](C)C(F)F 308380575 573403222 /nfs/dbraw/zinc/40/32/22/573403222.db2.gz UPBAKEKYENMPPD-ZETCQYMHSA-N 0 0 192.253 2.796 10 30 AFEERN CC(C)=C1C(=O)C(C)(C)[C@@H]1C 238387810 573403779 /nfs/dbraw/zinc/40/37/79/573403779.db2.gz KCWOIZZDSSWEKP-SSDOTTSWSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H](CC)OC(=O)c1cccs1 308382656 573403819 /nfs/dbraw/zinc/40/38/19/573403819.db2.gz VFLDXQYMHMPFRL-QMMMGPOBSA-N 0 0 196.271 2.870 10 30 AFEERN C=CC(=C)[C@H](C)Oc1ccccc1O 238468995 573403982 /nfs/dbraw/zinc/40/39/82/573403982.db2.gz RTDHFSMWPGRERZ-JTQLQIEISA-N 0 0 190.242 2.902 10 30 AFEERN C=C(C)[C@H](OCCO)C1CCCCC1 308574928 573405416 /nfs/dbraw/zinc/40/54/16/573405416.db2.gz GXVIWDNEUFZHKB-LBPRGKRZSA-N 0 0 198.306 2.520 10 30 AFEERN O=C[C@@H](c1ccc(F)cc1F)C1CC1 107186328 573406021 /nfs/dbraw/zinc/40/60/21/573406021.db2.gz LQANQIBQHQZLPE-SNVBAGLBSA-N 0 0 196.196 2.657 10 30 AFEERN N#CCc1cc(F)c(F)c2ccoc12 118470968 573407545 /nfs/dbraw/zinc/40/75/45/573407545.db2.gz XEXKDXJUWKOUEE-UHFFFAOYSA-N 0 0 193.152 2.777 10 30 AFEERN C[C@@H]1C(=O)C=C(Cl)CC1(C)C 238388843 573407137 /nfs/dbraw/zinc/40/71/37/573407137.db2.gz SLCDWRTVZMKZHP-ZCFIWIBFSA-N 0 0 172.655 2.744 10 30 AFEERN C=C(C)[C@@H](OCCO)C1CCCCC1 308574927 573407172 /nfs/dbraw/zinc/40/71/72/573407172.db2.gz GXVIWDNEUFZHKB-GFCCVEGCSA-N 0 0 198.306 2.520 10 30 AFEERN CC(=O)/C(=C\Cl)CC(C)C 118563993 573407401 /nfs/dbraw/zinc/40/74/01/573407401.db2.gz OZFOBMRWEXQBEU-YVMONPNESA-N 0 0 160.644 2.744 10 30 AFEERN C=CC[C@@H](C)C(=O)[C@H](OCC)C(C)C 715795558 573407541 /nfs/dbraw/zinc/40/75/41/573407541.db2.gz MYSSWMXRJVNHHB-ZYHUDNBSSA-N 0 0 198.306 2.829 10 30 AFEERN CCC(CC)N(C)[C@@H](C#N)C(C)C 259442637 573407567 /nfs/dbraw/zinc/40/75/67/573407567.db2.gz NHBHQVZYOKSDDC-NSHDSACASA-N 0 0 182.311 2.655 10 30 AFEERN C=C1C[C@H]2CCC(=O)[C@@H](C)[C@@]2(C)C1 238389836 573408214 /nfs/dbraw/zinc/40/82/14/573408214.db2.gz WVMOECGLSCNRAX-CKYFFXLPSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)[C@H](C=O)c1ccc(F)cc1F 107188583 573408495 /nfs/dbraw/zinc/40/84/95/573408495.db2.gz ACYMBVKYXBYZLU-JTQLQIEISA-N 0 0 198.212 2.903 10 30 AFEERN C=CC(=O)C[C@H](C)C=C(C)C 238389190 573408511 /nfs/dbraw/zinc/40/85/11/573408511.db2.gz GVOOBDPMHIOHEX-SECBINFHSA-N 0 0 152.237 2.734 10 30 AFEERN SCCC1(S)CCCCC1 33506114 573408514 /nfs/dbraw/zinc/40/85/14/573408514.db2.gz MWKYQORKTYAWTG-UHFFFAOYSA-N 0 0 176.350 2.939 10 30 AFEERN CC(C)CON=C1CCCSC1 393517734 573408764 /nfs/dbraw/zinc/40/87/64/573408764.db2.gz MGWWNJUSEJRFDT-UHFFFAOYSA-N 0 0 187.308 2.542 10 30 AFEERN C=C1C[C@@H]2CCC(=O)[C@@H](C)[C@@]2(C)C1 238390064 573408814 /nfs/dbraw/zinc/40/88/14/573408814.db2.gz WVMOECGLSCNRAX-JFGNBEQYSA-N 0 0 178.275 2.958 10 30 AFEERN C#C[C@@H](C)[C@@H](O)C#CCCCCCC 308577300 573409874 /nfs/dbraw/zinc/40/98/74/573409874.db2.gz IEKAZRDEXOWESR-OLZOCXBDSA-N 0 0 192.302 2.590 10 30 AFEERN CC[C@@H](C#N)CNc1ccc(C)o1 259098017 573411028 /nfs/dbraw/zinc/41/10/28/573411028.db2.gz WPOCHOIMUNYXTE-VIFPVBQESA-N 0 0 178.235 2.550 10 30 AFEERN ON=C1CCC[C@@H]1Cc1ccccc1 308385416 573411207 /nfs/dbraw/zinc/41/12/07/573411207.db2.gz GSTIOPRGBJFELY-LLVKDONJSA-N 0 0 189.258 2.859 10 30 AFEERN C[C@H](C#N)CC1CCCC1 107217461 573411267 /nfs/dbraw/zinc/41/12/67/573411267.db2.gz QKHGEXRJHZNHNC-QMMMGPOBSA-N 0 0 137.226 2.726 10 30 AFEERN O=C[C@@H]1CCc2ccccc2C1(F)F 257811098 573411627 /nfs/dbraw/zinc/41/16/27/573411627.db2.gz AYKLUDHRZGRYSE-VIFPVBQESA-N 0 0 196.196 2.540 10 30 AFEERN CC(C)[C@H](C=O)c1cc(F)ccc1F 107188576 573411412 /nfs/dbraw/zinc/41/14/12/573411412.db2.gz FXASBOFOTVTWSX-JTQLQIEISA-N 0 0 198.212 2.903 10 30 AFEERN C=CC(C)(C)[C@@H](SC)C(C)=O 238382809 573411482 /nfs/dbraw/zinc/41/14/82/573411482.db2.gz WGRYWTKXHRQGDT-QMMMGPOBSA-N 0 0 172.293 2.519 10 30 AFEERN CC(C)[C@@H](C=O)c1cc(F)ccc1F 107188572 573411702 /nfs/dbraw/zinc/41/17/02/573411702.db2.gz FXASBOFOTVTWSX-SNVBAGLBSA-N 0 0 198.212 2.903 10 30 AFEERN CC(C)c1c[nH]c([C@@H](C#N)C(C)C)n1 259097609 573411750 /nfs/dbraw/zinc/41/17/50/573411750.db2.gz NSVXFLMWMPWPFX-VIFPVBQESA-N 0 0 191.278 2.796 10 30 AFEERN CO[C@@]1(CC=O)C[C@H](C)CC(C)(C)C1 238382288 573411840 /nfs/dbraw/zinc/41/18/40/573411840.db2.gz BVARLPWHUCBHLC-PWSUYJOCSA-N 0 0 198.306 2.807 10 30 AFEERN C#CCON[C@H](C)CCCCCCC 308578811 573411893 /nfs/dbraw/zinc/41/18/93/573411893.db2.gz OAQAZBXTDJOGNT-GFCCVEGCSA-N 0 0 197.322 2.890 10 30 AFEERN ON=C1CCC[C@H]1Cc1ccccc1 308385417 573413238 /nfs/dbraw/zinc/41/32/38/573413238.db2.gz GSTIOPRGBJFELY-NSHDSACASA-N 0 0 189.258 2.859 10 30 AFEERN CO[C@@]1(CC=O)C[C@@H](C)CC(C)(C)C1 238382266 573413801 /nfs/dbraw/zinc/41/38/01/573413801.db2.gz BVARLPWHUCBHLC-JQWIXIFHSA-N 0 0 198.306 2.807 10 30 AFEERN C#CCON[C@@H](C)CCCCCCC 308578812 573413933 /nfs/dbraw/zinc/41/39/33/573413933.db2.gz OAQAZBXTDJOGNT-LBPRGKRZSA-N 0 0 197.322 2.890 10 30 AFEERN CCCCC(N)=NOC[C@H](C)CC 308387794 573415041 /nfs/dbraw/zinc/41/50/41/573415041.db2.gz XZVNTHMLSADPAS-SECBINFHSA-N 0 0 186.299 2.512 10 30 AFEERN CCCCCOc1cnccc1C#N 135623868 573415355 /nfs/dbraw/zinc/41/53/55/573415355.db2.gz YBPGHVTVUDPONV-UHFFFAOYSA-N 0 0 190.246 2.522 10 30 AFEERN CCCCCCOC(=O)[C@H](C)CC#N 308580002 573415515 /nfs/dbraw/zinc/41/55/15/573415515.db2.gz JJSAYVSJGVSKHL-SNVBAGLBSA-N 0 0 197.278 2.660 10 30 AFEERN CCc1csc(CC(C)(C)C#N)n1 259443347 573415723 /nfs/dbraw/zinc/41/57/23/573415723.db2.gz YPXSVIMKBGCVJM-UHFFFAOYSA-N 0 0 194.303 2.798 10 30 AFEERN CC(C)(C#N)C(=O)c1cccc(F)c1 258647303 573416075 /nfs/dbraw/zinc/41/60/75/573416075.db2.gz KPAQGECMCWBTHU-UHFFFAOYSA-N 0 0 191.205 2.558 10 30 AFEERN CC(C)Cc1ccc2[nH]cc(C#N)c2n1 259446207 573418299 /nfs/dbraw/zinc/41/82/99/573418299.db2.gz VYVZNMXGPNVFGQ-UHFFFAOYSA-N 0 0 199.257 2.633 10 30 AFEERN C[C@@H](c1ccccc1)[C@@](C)(C#N)C=O 238384795 573418333 /nfs/dbraw/zinc/41/83/33/573418333.db2.gz RBALYDJJBVIPTI-JQWIXIFHSA-N 0 0 187.242 2.519 10 30 AFEERN N#CC1(c2ccc(F)cc2)CC=CC1 83141783 573421347 /nfs/dbraw/zinc/42/13/47/573421347.db2.gz CSBQZOOMCCVILM-UHFFFAOYSA-N 0 0 187.217 2.937 10 30 AFEERN C#CCCSCc1cccc(C)n1 308381782 573422771 /nfs/dbraw/zinc/42/27/71/573422771.db2.gz QTQLYAOZXVVXPD-UHFFFAOYSA-N 0 0 191.299 2.647 10 30 AFEERN C/N=C(/Cc1ccc(F)cc1)SC 258647438 573422344 /nfs/dbraw/zinc/42/23/44/573422344.db2.gz KRVROLYABHHCLD-BENRWUELSA-N 0 0 197.278 2.760 10 30 AFEERN CO/N=C(/C)Cc1ccc(Cl)cc1 118734045 573422353 /nfs/dbraw/zinc/42/23/53/573422353.db2.gz XAOBKKOISVLBTO-WQLSENKSSA-N 0 0 197.665 2.905 10 30 AFEERN C=C1C[C@@]2(C)CC(=O)[C@@H](C)[C@@]2(C)C1 238391128 573422487 /nfs/dbraw/zinc/42/24/87/573422487.db2.gz DTVIEYZETJCQKS-ADEWGFFLSA-N 0 0 178.275 2.958 10 30 AFEERN N#CCc1ccc2[nH]c(C3CC3)nc2c1 214886651 573422620 /nfs/dbraw/zinc/42/26/20/573422620.db2.gz LIPAXZLCNALCDE-UHFFFAOYSA-N 0 0 197.241 2.506 10 30 AFEERN CC(C)[C@]1(c2ccccc2)C[C@@H]1C=O 257810852 573422636 /nfs/dbraw/zinc/42/26/36/573422636.db2.gz ATEFOFWSVQHNHV-OLZOCXBDSA-N 0 0 188.270 2.799 10 30 AFEERN C=C1C[C@]2(C)CC(=O)[C@@H](C)[C@@]2(C)C1 238390834 573422751 /nfs/dbraw/zinc/42/27/51/573422751.db2.gz DTVIEYZETJCQKS-YUSALJHKSA-N 0 0 178.275 2.958 10 30 AFEERN CCCCCCCCO[C@H](C)C=O 78069541 573422925 /nfs/dbraw/zinc/42/29/25/573422925.db2.gz HLRMWQKFPNIFGS-LLVKDONJSA-N 0 0 186.295 2.951 10 30 AFEERN CC#C[C@@H](O)C1=C(C)CCCC1(C)C 34195656 573422973 /nfs/dbraw/zinc/42/29/73/573422973.db2.gz UHYIAUMBXVJINH-LLVKDONJSA-N 0 0 192.302 2.897 10 30 AFEERN CCCCCNN=Cc1cccs1 308381242 573423095 /nfs/dbraw/zinc/42/30/95/573423095.db2.gz UUVHAWXCMNSBHI-UHFFFAOYSA-N 0 0 196.319 2.862 10 30 AFEERN O=C[C@@H]1CC[C@@H]1c1ccccc1F 257811407 573426268 /nfs/dbraw/zinc/42/62/68/573426268.db2.gz BAGLNMTZMNKEDY-IUCAKERBSA-N 0 0 178.206 2.518 10 30 AFEERN C=CC[C@@H]1CC(=O)[C@@H](C)C1(C)C 238390617 573425375 /nfs/dbraw/zinc/42/53/75/573425375.db2.gz XCNYPLOTHNRSPA-RKDXNWHRSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)=C[C@H](C)C[C@H](C)C=O 238391218 573425527 /nfs/dbraw/zinc/42/55/27/573425527.db2.gz LXINHZQBQOZOSC-UWVGGRQHSA-N 0 0 154.253 2.814 10 30 AFEERN C=C(CC=O)c1ccc(Cl)o1 258028864 573425863 /nfs/dbraw/zinc/42/58/63/573425863.db2.gz BWVCPNATOIAXBJ-UHFFFAOYSA-N 0 0 170.595 2.535 10 30 AFEERN O=C[C@H]1CC[C@H]1c1ccccc1F 257811408 573425883 /nfs/dbraw/zinc/42/58/83/573425883.db2.gz BAGLNMTZMNKEDY-RKDXNWHRSA-N 0 0 178.206 2.518 10 30 AFEERN CC(C)Cc1nc(CCC#N)cs1 259448957 573428966 /nfs/dbraw/zinc/42/89/66/573428966.db2.gz XKQAJRVGTBUBCO-UHFFFAOYSA-N 0 0 194.303 2.798 10 30 AFEERN C=C1CCCC(C)(C)[C@@H]1C(=O)OC 38234603 573428300 /nfs/dbraw/zinc/42/83/00/573428300.db2.gz SMJXJPQSPQXVMU-VIFPVBQESA-N 0 0 182.263 2.542 10 30 AFEERN C=C1CC[C@@H](C(C)C)C(=O)C1 144180099 573428553 /nfs/dbraw/zinc/42/85/53/573428553.db2.gz UTKOPILZYFNBSY-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=CCC/C(=C\CO)C(C)C 238210559 573429177 /nfs/dbraw/zinc/42/91/77/573429177.db2.gz AHTPWEYVLYEZEP-JXMROGBWSA-N 0 0 154.253 2.527 10 30 AFEERN C=C(CCO)Cc1ccccc1Cl 258028916 573428629 /nfs/dbraw/zinc/42/86/29/573428629.db2.gz BXNFMAPJXGXPDP-UHFFFAOYSA-N 0 0 196.677 2.821 10 30 AFEERN C[C@@H]1CCc2scc(C#N)c2C1 259447806 573428631 /nfs/dbraw/zinc/42/86/31/573428631.db2.gz KSZOCFUQMUCDAI-SSDOTTSWSA-N 0 0 177.272 2.745 10 30 AFEERN O=CC[C@H]1CCc2cccc(Cl)c21 257811327 573428859 /nfs/dbraw/zinc/42/88/59/573428859.db2.gz BDZTWXQESRBVST-SECBINFHSA-N 0 0 194.661 2.959 10 30 AFEERN CO[C@@H](c1ccccc1)C(C)(C)C=O 238392560 573429220 /nfs/dbraw/zinc/42/92/20/573429220.db2.gz XPOCUYYVTQOXEE-NSHDSACASA-N 0 0 192.258 2.599 10 30 AFEERN C=CCC[C@@H]1C[C@@H](C)CC1=O 144169605 573429299 /nfs/dbraw/zinc/42/92/99/573429299.db2.gz YSBWYWZWQWHOGK-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN CCc1nc(C)c(C2(C#N)CC2)s1 259446800 573429309 /nfs/dbraw/zinc/42/93/09/573429309.db2.gz XFBDGEXGODGQJF-UHFFFAOYSA-N 0 0 192.287 2.569 10 30 AFEERN C=CC[C@H](C)c1ccnc(OC)c1F 715805245 573429373 /nfs/dbraw/zinc/42/93/73/573429373.db2.gz AGNFCMUIFWQIBU-QMMMGPOBSA-N 0 0 195.237 2.909 10 30 AFEERN COCc1cccc([C@H](C)CC=O)c1 258030165 573429605 /nfs/dbraw/zinc/42/96/05/573429605.db2.gz IVNJLFVSNYIWLM-SNVBAGLBSA-N 0 0 192.258 2.526 10 30 AFEERN CC/C=C(\C#CC[C@H](O)CC)CC 238216869 573433813 /nfs/dbraw/zinc/43/38/13/573433813.db2.gz FTWDLPLGJHAHFP-NXIHDVOMSA-N 0 0 180.291 2.897 10 30 AFEERN C=CC[C@@H](NN)C1CCCCCCC1 130031374 573431894 /nfs/dbraw/zinc/43/18/94/573431894.db2.gz JTDKIYKYSRNMCM-GFCCVEGCSA-N 0 0 196.338 2.755 10 30 AFEERN COc1cc(CC#N)cc2ccoc12 258030307 573431941 /nfs/dbraw/zinc/43/19/41/573431941.db2.gz IZBPNDUIQOUMCQ-UHFFFAOYSA-N 0 0 187.198 2.507 10 30 AFEERN CCCC1(C#N)CCC(C=O)CC1 144203691 573432291 /nfs/dbraw/zinc/43/22/91/573432291.db2.gz HCWQNPWYDYVBQS-UHFFFAOYSA-N 0 0 179.263 2.686 10 30 AFEERN C=C(C)C[C@H](C)[C@H]1CCCC1=O 238394529 573432388 /nfs/dbraw/zinc/43/23/88/573432388.db2.gz ONLYSFHDNBLURM-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN CCC1(/C=C/C(C)=O)CCC1 686131268 573432800 /nfs/dbraw/zinc/43/28/00/573432800.db2.gz DZTVKTHORZBPHW-VMPITWQZSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@@H](O)[C@@H]1CC=C(C)C1(C)C 118870117 573432858 /nfs/dbraw/zinc/43/28/58/573432858.db2.gz QNTPKYVXKBAWTC-VHSXEESVSA-N 0 0 166.264 2.526 10 30 AFEERN C=CCCC(=O)c1cccc(N)c1F 308581304 573432950 /nfs/dbraw/zinc/43/29/50/573432950.db2.gz PHMMHVRVXDNAGU-UHFFFAOYSA-N 0 0 193.221 2.557 10 30 AFEERN CCC1(/C=C\C(C)=O)CCC1 686131270 573433210 /nfs/dbraw/zinc/43/32/10/573433210.db2.gz DZTVKTHORZBPHW-YVMONPNESA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cccc([C@H]2CC[C@H]2C=O)c1 257811976 573433217 /nfs/dbraw/zinc/43/32/17/573433217.db2.gz BIIMLPHUTYYKRF-NWDGAFQWSA-N 0 0 174.243 2.688 10 30 AFEERN Cc1cccc([C@@H]2CC[C@@H]2C=O)c1 257811975 573433245 /nfs/dbraw/zinc/43/32/45/573433245.db2.gz BIIMLPHUTYYKRF-NEPJUHHUSA-N 0 0 174.243 2.688 10 30 AFEERN CCc1cc(C)c(C)c(CCC=O)c1 258030266 573433331 /nfs/dbraw/zinc/43/33/31/573433331.db2.gz IYCJSAIJURTXBI-UHFFFAOYSA-N 0 0 190.286 2.997 10 30 AFEERN Cc1cccc([C@@H]2CC[C@H]2C=O)c1 257811977 573434100 /nfs/dbraw/zinc/43/41/00/573434100.db2.gz BIIMLPHUTYYKRF-RYUDHWBXSA-N 0 0 174.243 2.688 10 30 AFEERN CC(C)[C@@H](C#N)c1ncc2ccccn12 259449102 573434115 /nfs/dbraw/zinc/43/41/15/573434115.db2.gz KHRRIAGONKIPRE-LLVKDONJSA-N 0 0 199.257 2.597 10 30 AFEERN COc1cc(Cl)cc(C#N)c1C 258030963 573433963 /nfs/dbraw/zinc/43/39/63/573433963.db2.gz PAUFCUAXFJSUSI-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN Cc1ccc([C@@H](C)[C@H](C)C=O)o1 144213425 573434031 /nfs/dbraw/zinc/43/40/31/573434031.db2.gz MKDDLZJZYDRZTR-APPZFPTMSA-N 0 0 166.220 2.527 10 30 AFEERN C=C1C[C@H]2C(=O)CCC[C@@]12C(C)C 34413833 573434965 /nfs/dbraw/zinc/43/49/65/573434965.db2.gz ONARUBOQWCDINS-CMPLNLGQSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)C[C@H](C)[C@@H]1CCCC1=O 238394494 573435780 /nfs/dbraw/zinc/43/57/80/573435780.db2.gz ONLYSFHDNBLURM-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CCCC/C=C\C#CCCCCO 138097705 573436181 /nfs/dbraw/zinc/43/61/81/573436181.db2.gz SMLDOZHEIBNZRN-WAYWQWQTSA-N 0 0 180.291 2.899 10 30 AFEERN Cc1ccc([C@H](C)[C@H](C)C=O)o1 144213016 573436070 /nfs/dbraw/zinc/43/60/70/573436070.db2.gz MKDDLZJZYDRZTR-VXNVDRBHSA-N 0 0 166.220 2.527 10 30 AFEERN C[C@H](C#N)[C@](C)(O)CC1CCCCC1 689810783 573436100 /nfs/dbraw/zinc/43/61/00/573436100.db2.gz YKOVMZPRMRUQLG-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)(C=O)CCCCC(C)(C)C=O 118853337 573436184 /nfs/dbraw/zinc/43/61/84/573436184.db2.gz KQJPYYMMZQBLDV-UHFFFAOYSA-N 0 0 198.306 2.997 10 30 AFEERN O=CCc1nc(C2CCCC2)cs1 259449276 573436654 /nfs/dbraw/zinc/43/66/54/573436654.db2.gz ZBTFZTBRKCQMCL-UHFFFAOYSA-N 0 0 195.287 2.542 10 30 AFEERN Cc1ccc([C@@H](C)[C@@H](C)C=O)o1 144213229 573437371 /nfs/dbraw/zinc/43/73/71/573437371.db2.gz MKDDLZJZYDRZTR-CBAPKCEASA-N 0 0 166.220 2.527 10 30 AFEERN C=CCc1cc(OC)c(C)c(C)c1O 238396166 573437474 /nfs/dbraw/zinc/43/74/74/573437474.db2.gz WMDQRSJCITYRMZ-UHFFFAOYSA-N 0 0 192.258 2.746 10 30 AFEERN C[C@H](C=O)CC(Cl)(Cl)Cl 238396204 573437753 /nfs/dbraw/zinc/43/77/53/573437753.db2.gz FVBYYEPVKBHRCO-BYPYZUCNSA-N 0 0 189.469 2.582 10 30 AFEERN C[C@@H](C#N)[C@](C)(O)CC1CCCCC1 689810778 573437761 /nfs/dbraw/zinc/43/77/61/573437761.db2.gz YKOVMZPRMRUQLG-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN CCCCCC/C=C/[C@H](O)[C@@H]1O[C@@H]1C 308582641 573437884 /nfs/dbraw/zinc/43/78/84/573437884.db2.gz KREDRDJKWOISHK-DAXLUKLMSA-N 0 0 198.306 2.661 10 30 AFEERN CC/C=C/C[C@H]1[C@H](CC#N)CC[C@H]1O 308582614 573437956 /nfs/dbraw/zinc/43/79/56/573437956.db2.gz KPLQLHFYWZDZJB-JJVHAXESSA-N 0 0 193.290 2.643 10 30 AFEERN CC[C@](C)(C#N)[C@@H](O)[C@H](C)C(C)(C)C 308582620 573438087 /nfs/dbraw/zinc/43/80/87/573438087.db2.gz KPTAZHLQTQLIJB-JBLDHEPKSA-N 0 0 197.322 2.969 10 30 AFEERN CCCCCC/C=C\[C@H](O)[C@@H]1O[C@@H]1C 308582644 573438142 /nfs/dbraw/zinc/43/81/42/573438142.db2.gz KREDRDJKWOISHK-ZZTHYGLKSA-N 0 0 198.306 2.661 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)[C@H](C)C(C)(C)C 308582619 573438229 /nfs/dbraw/zinc/43/82/29/573438229.db2.gz KPTAZHLQTQLIJB-HOSYDEDBSA-N 0 0 197.322 2.969 10 30 AFEERN CC[C@](C)(C#N)[C@H](O)[C@@H](C)C(C)(C)C 308582618 573438718 /nfs/dbraw/zinc/43/87/18/573438718.db2.gz KPTAZHLQTQLIJB-CKYFFXLPSA-N 0 0 197.322 2.969 10 30 AFEERN CCCCCC/C=C\[C@H](O)[C@@H]1O[C@H]1C 308582643 573438765 /nfs/dbraw/zinc/43/87/65/573438765.db2.gz KREDRDJKWOISHK-UVEFQOSGSA-N 0 0 198.306 2.661 10 30 AFEERN C=CC[C@@H]1[C@@H](CO)[C@@H]1c1ccccc1 308582595 573439093 /nfs/dbraw/zinc/43/90/93/573439093.db2.gz KOHORKZSVOFKBE-JHJVBQTASA-N 0 0 188.270 2.585 10 30 AFEERN C[C@@H]1C(Cl)=CC(=O)CC1(C)C 238396386 573439096 /nfs/dbraw/zinc/43/90/96/573439096.db2.gz KUIQMVSTQYVBLL-ZCFIWIBFSA-N 0 0 172.655 2.744 10 30 AFEERN C[C@H](C#N)[C@@](C)(O)CC1CCCCC1 689810782 573439197 /nfs/dbraw/zinc/43/91/97/573439197.db2.gz YKOVMZPRMRUQLG-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN C[C@@H](C#N)[C@@](C)(O)CC1CCCCC1 689810781 573439231 /nfs/dbraw/zinc/43/92/31/573439231.db2.gz YKOVMZPRMRUQLG-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN C=CCC[C@](C)(O)c1cc(C)co1 715807630 573439312 /nfs/dbraw/zinc/43/93/12/573439312.db2.gz QYWNEEZDNNRFPR-NSHDSACASA-N 0 0 180.247 2.762 10 30 AFEERN CC/C=C\C[C@H]1[C@H](CC#N)CC[C@H]1O 308582613 573439762 /nfs/dbraw/zinc/43/97/62/573439762.db2.gz KPLQLHFYWZDZJB-DJECZDDWSA-N 0 0 193.290 2.643 10 30 AFEERN CC1=C(C)[C@@H](C)[C@](C)(Cl)C1=O 238395544 573439821 /nfs/dbraw/zinc/43/98/21/573439821.db2.gz BKTJSGFIYRYJLG-APPZFPTMSA-N 0 0 172.655 2.539 10 30 AFEERN CC(=O)c1c(C)[nH]c2c(C#N)cccc12 257813712 573440210 /nfs/dbraw/zinc/44/02/10/573440210.db2.gz AYGIADWYWDFHAF-UHFFFAOYSA-N 0 0 198.225 2.551 10 30 AFEERN CC(=O)CCC#CC1=CCCCC1 34455045 573439932 /nfs/dbraw/zinc/43/99/32/573439932.db2.gz RRMSLQMGKAAJEH-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN Nc1ccc2scc(CS)c2c1 258020417 573439961 /nfs/dbraw/zinc/43/99/61/573439961.db2.gz MJPNFPCAHVGRSB-UHFFFAOYSA-N 0 0 195.312 2.913 10 30 AFEERN CC(C)C1=CCCC[C@]1(C)C=O 223075104 573440161 /nfs/dbraw/zinc/44/01/61/573440161.db2.gz PQLIWVJBRAGTSK-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=C[C@@H](C)C[C@H](C)C=O 238397065 573441606 /nfs/dbraw/zinc/44/16/06/573441606.db2.gz LXINHZQBQOZOSC-ZJUUUORDSA-N 0 0 154.253 2.814 10 30 AFEERN CC/C=C/C[C@@H]1[C@H](O)CC[C@@H]1CC#N 308582616 573440791 /nfs/dbraw/zinc/44/07/91/573440791.db2.gz KPLQLHFYWZDZJB-QTQQSFGGSA-N 0 0 193.290 2.643 10 30 AFEERN SCc1ccc2[nH]ccc2c1 258022209 573440798 /nfs/dbraw/zinc/44/07/98/573440798.db2.gz OFUXRZALAADFKT-UHFFFAOYSA-N 0 0 163.245 2.598 10 30 AFEERN CC(C)C[C@H](CC=O)C(C)(C)F 257813480 573441161 /nfs/dbraw/zinc/44/11/61/573441161.db2.gz CBJVPHMXUOKWTD-VIFPVBQESA-N 0 0 174.259 2.986 10 30 AFEERN CC(C)C[C@@H](CC=O)C(C)(C)F 257813478 573441095 /nfs/dbraw/zinc/44/10/95/573441095.db2.gz CBJVPHMXUOKWTD-SECBINFHSA-N 0 0 174.259 2.986 10 30 AFEERN CCCCC#C[C@@H](CO)CCC 238216060 573441096 /nfs/dbraw/zinc/44/10/96/573441096.db2.gz QRNJVNMZFJMPLW-NSHDSACASA-N 0 0 168.280 2.589 10 30 AFEERN C=C1C[C@@H](C(C)=O)[C@H](C)C=C1C 238397637 573441097 /nfs/dbraw/zinc/44/10/97/573441097.db2.gz IHZLAGXIHFEHBN-MWLCHTKSSA-N 0 0 164.248 2.734 10 30 AFEERN CCCCCC[C@](C)(C#CC=O)OC 238216051 573441124 /nfs/dbraw/zinc/44/11/24/573441124.db2.gz XCNDXURMSDPMLT-GFCCVEGCSA-N 0 0 196.290 2.564 10 30 AFEERN C=C1CC[C@@H]2C[C@@H]2[C@@H]1CCC(C)=O 34413837 573441233 /nfs/dbraw/zinc/44/12/33/573441233.db2.gz NGJKGEGMICLZFW-UTUOFQBUSA-N 0 0 178.275 2.958 10 30 AFEERN CCCC#CCCCCC=O 238218442 573441404 /nfs/dbraw/zinc/44/14/04/573441404.db2.gz AJMHAXIXBABOKQ-UHFFFAOYSA-N 0 0 152.237 2.549 10 30 AFEERN C[C@@H]1CCCC[C@@]12C=CC(=O)C2 238397534 573441435 /nfs/dbraw/zinc/44/14/35/573441435.db2.gz YCGDKIKORXFABT-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CCCC[C@H]1CC2=C(OCCC2)C1=O 210223802 573441518 /nfs/dbraw/zinc/44/15/18/573441518.db2.gz MVKZZKYMTHXGJU-VIFPVBQESA-N 0 0 194.274 2.830 10 30 AFEERN C=C1CC[C@@H](C)C(C)(C)[C@@H]1CO 34454964 573441563 /nfs/dbraw/zinc/44/15/63/573441563.db2.gz KRHORKRMJWJXRW-NXEZZACHSA-N 0 0 168.280 2.607 10 30 AFEERN C[C@@H]1CC=C(Nc2ccccc2)C1=O 238397243 573441580 /nfs/dbraw/zinc/44/15/80/573441580.db2.gz XTEJMPWCFINAFT-SECBINFHSA-N 0 0 187.242 2.591 10 30 AFEERN CC(=O)/C(C)=C/c1ccc(C#N)cc1 118901676 573442536 /nfs/dbraw/zinc/44/25/36/573442536.db2.gz PWZDMNRDOOEZPN-VQHVLOKHSA-N 0 0 185.226 2.551 10 30 AFEERN CC(=O)/C(C)=C/c1cccc(C)c1 118901640 573444136 /nfs/dbraw/zinc/44/41/36/573444136.db2.gz GYFZVGVDUKJICN-CSKARUKUSA-N 0 0 174.243 2.987 10 30 AFEERN C#Cc1ccc(OC)c(F)c1CCC 118901056 573442440 /nfs/dbraw/zinc/44/24/40/573442440.db2.gz GBHPDJNTWQBAAL-UHFFFAOYSA-N 0 0 192.233 2.768 10 30 AFEERN C[C@H](C#C[Si](C)(C)C)C[C@H](C)C=O 238396905 573442527 /nfs/dbraw/zinc/44/25/27/573442527.db2.gz MIALWYRLVCFEKA-MNOVXSKESA-N 0 0 196.366 2.728 10 30 AFEERN CSc1cccc([C@@H](F)C=O)c1 257813495 573442532 /nfs/dbraw/zinc/44/25/32/573442532.db2.gz CBYOXQJIRQQNTJ-VIFPVBQESA-N 0 0 184.235 2.618 10 30 AFEERN C[C@H](C#N)C[C@@]1(C)CCCCC1=O 238396774 573442556 /nfs/dbraw/zinc/44/25/56/573442556.db2.gz ZDGCAOFHOJFHSC-GXSJLCMTSA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@@H]1CC[C@@](C#N)([C@H](C)COC)C1 308585881 573442557 /nfs/dbraw/zinc/44/25/57/573442557.db2.gz MDNOWTKVIOSRMI-IJLUTSLNSA-N 0 0 195.306 2.989 10 30 AFEERN CSc1cccc([C@H](C)C=O)c1 257813442 573442599 /nfs/dbraw/zinc/44/25/99/573442599.db2.gz CAUIIAVZSHTVAD-MRVPVSSYSA-N 0 0 180.272 2.711 10 30 AFEERN C[C@@H]1CCC(=C2CCCC2)C1=O 238397777 573442733 /nfs/dbraw/zinc/44/27/33/573442733.db2.gz DUVGVSNISBTAKU-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN C[C@@H]1CC=C2CCCC[C@H]2[C@@H]1C=O 238397436 573442743 /nfs/dbraw/zinc/44/27/43/573442743.db2.gz AVWZKLVZQIEKBR-YUSALJHKSA-N 0 0 178.275 2.958 10 30 AFEERN O=CCc1coc2ccc(Cl)cc12 258022643 573442973 /nfs/dbraw/zinc/44/29/73/573442973.db2.gz DGAOYCHXBXVHIQ-UHFFFAOYSA-N 0 0 194.617 2.828 10 30 AFEERN C=C(CO)c1ccc2cccccc1-2 34484561 573443656 /nfs/dbraw/zinc/44/36/56/573443656.db2.gz ZOGQFIUYTRKIAR-UHFFFAOYSA-N 0 0 184.238 2.797 10 30 AFEERN C[C@H](C#N)C[C@@]1(C)CCCC(=O)C1 238396752 573443861 /nfs/dbraw/zinc/44/38/61/573443861.db2.gz KIVHCPJIZLSLAN-GXSJLCMTSA-N 0 0 179.263 2.686 10 30 AFEERN C=CC[C@H](C)C1(C=O)CCC1 715808149 573443887 /nfs/dbraw/zinc/44/38/87/573443887.db2.gz RNBRBNDKNZRECV-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C[C@H](C(C)=O)[C@H](C)C=C1C 238397621 573444083 /nfs/dbraw/zinc/44/40/83/573444083.db2.gz IHZLAGXIHFEHBN-KOLCDFICSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H]1CCCC[C@@]1(C=O)CCC#N 238396500 573444140 /nfs/dbraw/zinc/44/41/40/573444140.db2.gz GLLVXUMJINXALJ-MNOVXSKESA-N 0 0 179.263 2.686 10 30 AFEERN O=CC1=C(O)C23CCCC2(CCC3)C1 308587442 573444430 /nfs/dbraw/zinc/44/44/30/573444430.db2.gz MYJURPQOWIRYOD-CMDGGOBGSA-N 0 0 192.258 2.742 10 30 AFEERN CSc1cccc([C@@H](C)C=O)c1 257813444 573444445 /nfs/dbraw/zinc/44/44/45/573444445.db2.gz CAUIIAVZSHTVAD-QMMMGPOBSA-N 0 0 180.272 2.711 10 30 AFEERN Cc1ccc2c(c1)[C@H](CC=O)CC2 257813558 573444473 /nfs/dbraw/zinc/44/44/73/573444473.db2.gz CDTJMCRJWDKJRH-NSHDSACASA-N 0 0 174.243 2.614 10 30 AFEERN CC1=C2CCC(=O)C=C2C[C@H]1C 238396854 573444474 /nfs/dbraw/zinc/44/44/74/573444474.db2.gz ZUKJIASWUJLSSY-SSDOTTSWSA-N 0 0 162.232 2.632 10 30 AFEERN CCCCON=Cc1ccccc1 308390548 573444521 /nfs/dbraw/zinc/44/45/21/573444521.db2.gz ZGJAMBRNMUCHNR-UHFFFAOYSA-N 0 0 177.247 2.837 10 30 AFEERN Cc1cc(C)c([C@H](O)CS)c(C)c1 259103591 573444660 /nfs/dbraw/zinc/44/46/60/573444660.db2.gz HOLBNFVVJTVOGU-SNVBAGLBSA-N 0 0 196.315 2.575 10 30 AFEERN Cc1cccc(-c2cnoc2C#N)c1 259453398 573447608 /nfs/dbraw/zinc/44/76/08/573447608.db2.gz OINLUUJKLOKZEL-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN O=C(C1=CCCC1)c1cncc(F)c1 236226086 573449446 /nfs/dbraw/zinc/44/94/46/573449446.db2.gz CYZOUEKYXWDYJC-UHFFFAOYSA-N 0 0 191.205 2.514 10 30 AFEERN C=C1C=C[C@@H](C)[C@@](C)(C(C)=O)C1 238399263 573447074 /nfs/dbraw/zinc/44/70/74/573447074.db2.gz PZUQSXPIZSZTNX-KOLCDFICSA-N 0 0 164.248 2.734 10 30 AFEERN C=CC[C@H](C)c1cc(OC)ncc1F 715806895 573447457 /nfs/dbraw/zinc/44/74/57/573447457.db2.gz MECMZQBWUQIHEI-QMMMGPOBSA-N 0 0 195.237 2.909 10 30 AFEERN C=CC[C@@H](C)c1ccnn1CC 715808163 573448028 /nfs/dbraw/zinc/44/80/28/573448028.db2.gz RRBUQJFEFIBCIT-SECBINFHSA-N 0 0 164.252 2.583 10 30 AFEERN CCCCCC/C=C\[C@H](O)CF 215547525 573448161 /nfs/dbraw/zinc/44/81/61/573448161.db2.gz BPMDDOVCUQSZED-DMEOUFDRSA-N 0 0 174.259 2.843 10 30 AFEERN C=CC[C@H](C)Cc1ccccn1 715806940 573448361 /nfs/dbraw/zinc/44/83/61/573448361.db2.gz MSVIRHHNMFVVGA-JTQLQIEISA-N 0 0 161.248 2.836 10 30 AFEERN Cc1ccc2c(n1)c(C#N)cn2C(C)C 259451948 573448693 /nfs/dbraw/zinc/44/86/93/573448693.db2.gz WQLDHJWBNQFTLI-UHFFFAOYSA-N 0 0 199.257 2.797 10 30 AFEERN CCCNN=C1CCC[C@@H]2C[C@]12C 308388956 573448745 /nfs/dbraw/zinc/44/87/45/573448745.db2.gz YQRKAGRISSEDIJ-KOLCDFICSA-N 0 0 180.295 2.552 10 30 AFEERN N#CC1(c2cccc(F)c2)CC(F)C1 107261118 573448995 /nfs/dbraw/zinc/44/89/95/573448995.db2.gz HRAFTUCIVNNUNU-UHFFFAOYSA-N 0 0 193.196 2.719 10 30 AFEERN C#C[C@@H](O)C[C@H](C)c1ccc(C)s1 238398372 573449221 /nfs/dbraw/zinc/44/92/21/573449221.db2.gz GFUSLSSOUBMARU-WCBMZHEXSA-N 0 0 194.299 2.544 10 30 AFEERN C=CC[C@H](C)c1ccncc1F 715808639 573449595 /nfs/dbraw/zinc/44/95/95/573449595.db2.gz VFOBWHQOZHZQGF-QMMMGPOBSA-N 0 0 165.211 2.900 10 30 AFEERN C=C(C)[C@H]1CC=C([C@H](C)O)CC1 142575799 573449860 /nfs/dbraw/zinc/44/98/60/573449860.db2.gz QMAIRFRHEGKGDA-UWVGGRQHSA-N 0 0 166.264 2.670 10 30 AFEERN C=C(CCCC)[C@H](O)C(C)C 238221100 573449899 /nfs/dbraw/zinc/44/98/99/573449899.db2.gz ZUGQIAYECXPTRN-SNVBAGLBSA-N 0 0 156.269 2.750 10 30 AFEERN N#Cc1ccc(OCc2ccoc2)cc1 130066225 573449922 /nfs/dbraw/zinc/44/99/22/573449922.db2.gz DEWSHLQREWQDBK-UHFFFAOYSA-N 0 0 199.209 2.730 10 30 AFEERN CCCCCC/C=C/[C@H](O)CF 215547568 573450053 /nfs/dbraw/zinc/45/00/53/573450053.db2.gz BPMDDOVCUQSZED-JARNTUPDSA-N 0 0 174.259 2.843 10 30 AFEERN C[C@@H]1CCC[C@@H](C)[C@@H]2CC(=O)C=C21 238406117 573450097 /nfs/dbraw/zinc/45/00/97/573450097.db2.gz QBNPCYPJAMJNOJ-LNLATYFQSA-N 0 0 178.275 2.958 10 30 AFEERN C=C1C(=O)C[C@@H](C)CC1(C)C 238405989 573450233 /nfs/dbraw/zinc/45/02/33/573450233.db2.gz REBMYZGCKAXRNA-SSDOTTSWSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@H](C#N)CNc1ccc(C#N)cc1 258660873 573450548 /nfs/dbraw/zinc/45/05/48/573450548.db2.gz NOEZBGMSTIQVTO-SNVBAGLBSA-N 0 0 199.257 2.520 10 30 AFEERN N#Cc1ccccc1OCc1ccoc1 130066687 573450629 /nfs/dbraw/zinc/45/06/29/573450629.db2.gz RUCBCNQQVGWBTO-UHFFFAOYSA-N 0 0 199.209 2.730 10 30 AFEERN N#CC1(c2ccccc2F)CC(F)C1 107261115 573450775 /nfs/dbraw/zinc/45/07/75/573450775.db2.gz AFYHELDZWHXAAM-UHFFFAOYSA-N 0 0 193.196 2.719 10 30 AFEERN N#Cc1cccc(OCc2ccoc2)c1 130066456 573451061 /nfs/dbraw/zinc/45/10/61/573451061.db2.gz TWZUBHUBKTWWSD-UHFFFAOYSA-N 0 0 199.209 2.730 10 30 AFEERN CCC/C(C)=C(\C)C(C)=O 142549676 573451085 /nfs/dbraw/zinc/45/10/85/573451085.db2.gz WNXGGSYVYDVOQO-BQYQJAHWSA-N 0 0 140.226 2.712 10 30 AFEERN C=CC[C@@H](C)c1ccncc1F 715808638 573451098 /nfs/dbraw/zinc/45/10/98/573451098.db2.gz VFOBWHQOZHZQGF-MRVPVSSYSA-N 0 0 165.211 2.900 10 30 AFEERN Cc1csc2cc(CCC#N)cn12 259453140 573451151 /nfs/dbraw/zinc/45/11/51/573451151.db2.gz OCQVIAKRSXJLDW-UHFFFAOYSA-N 0 0 190.271 2.765 10 30 AFEERN C[C@H]1C=C(C(C)(C)C)C(=O)C1 238406205 573451168 /nfs/dbraw/zinc/45/11/68/573451168.db2.gz NDINEAZIWFKJEN-ZETCQYMHSA-N 0 0 152.237 2.568 10 30 AFEERN CC(F)(F)[C@@H](CC#N)C1CCC1 257817374 573451552 /nfs/dbraw/zinc/45/15/52/573451552.db2.gz DQGNQUXOTNTNQV-QMMMGPOBSA-N 0 0 173.206 2.972 10 30 AFEERN CC(C)c1cc(C#N)cs1 83268213 573452318 /nfs/dbraw/zinc/45/23/18/573452318.db2.gz UROWSLOKSNWMPA-UHFFFAOYSA-N 0 0 151.234 2.743 10 30 AFEERN C=C1[C@@H](O)C=C(CCC)C1(C)C 34567172 573452435 /nfs/dbraw/zinc/45/24/35/573452435.db2.gz QZKRSQWWJAGYSY-JTQLQIEISA-N 0 0 166.264 2.670 10 30 AFEERN CC[C@H](F)C/N=C(\F)[C@@H](F)Cl 142542316 573452558 /nfs/dbraw/zinc/45/25/58/573452558.db2.gz WSOTYTBEDUTCNW-WTIHXICISA-N 0 0 187.592 2.637 10 30 AFEERN CCCC#C/C=C/[C@@H](O)CCC 238221559 573452734 /nfs/dbraw/zinc/45/27/34/573452734.db2.gz LIJOPJINSPNORA-UQSGXBNBSA-N 0 0 166.264 2.507 10 30 AFEERN CC[C@H](C)C#C[C@H](O)C1CCCCC1 34541224 573452803 /nfs/dbraw/zinc/45/28/03/573452803.db2.gz SMXWHPQCKVQVJY-AAEUAGOBSA-N 0 0 194.318 2.977 10 30 AFEERN CC[C@H](F)C/N=C(\F)[C@H](F)Cl 142542734 573452893 /nfs/dbraw/zinc/45/28/93/573452893.db2.gz WSOTYTBEDUTCNW-QIXMXOAZSA-N 0 0 187.592 2.637 10 30 AFEERN C=CC(=O)c1c[nH]c2cc(F)ccc12 236221781 573452900 /nfs/dbraw/zinc/45/29/00/573452900.db2.gz SVUXOAKRBSQJQO-UHFFFAOYSA-N 0 0 189.189 2.676 10 30 AFEERN CC/C=C/C=C1\CCCC1=O 142514575 573453231 /nfs/dbraw/zinc/45/32/31/573453231.db2.gz QQGVBSDHWBHJJE-JAFPNSLJSA-N 0 0 150.221 2.632 10 30 AFEERN CCO[C@H](C=O)CC1CCCCC1 257817130 573454504 /nfs/dbraw/zinc/45/45/04/573454504.db2.gz DPGUVDSTWVFABC-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN N#CC[C@@H](C1CCC1)C(F)(F)F 257813938 573456804 /nfs/dbraw/zinc/45/68/04/573456804.db2.gz CFGBNDATNNNMRY-ZETCQYMHSA-N 0 0 177.169 2.879 10 30 AFEERN C=C1CC=C[C@@H](C)[C@@]12CCCC2=O 238400427 573454314 /nfs/dbraw/zinc/45/43/14/573454314.db2.gz QVHSAIDXDGPOOF-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CC1(C)[C@H](CC=O)C[C@H]2C[C@]21C 142533750 573454496 /nfs/dbraw/zinc/45/44/96/573454496.db2.gz FJFRUAUYJIBJKT-WCABBAIRSA-N 0 0 166.264 2.648 10 30 AFEERN CC(C)c1ccccc1[C@@H](N)CC#N 211776123 573454906 /nfs/dbraw/zinc/45/49/06/573454906.db2.gz IRUMBHFDPQBDIO-LBPRGKRZSA-N 0 0 188.274 2.723 10 30 AFEERN C=CCc1c[nH]c2cccc(OC)c12 238400858 573454967 /nfs/dbraw/zinc/45/49/67/573454967.db2.gz BAELVXPEIANDSD-UHFFFAOYSA-N 0 0 187.242 2.905 10 30 AFEERN CC[C@H](C#N)Cc1ccccc1OC 259454915 573455027 /nfs/dbraw/zinc/45/50/27/573455027.db2.gz QPEUWJWBCNSGJE-JTQLQIEISA-N 0 0 189.258 2.787 10 30 AFEERN C=CCC[C@H](O)[C@@H]1C=CCCC1 238664298 573455432 /nfs/dbraw/zinc/45/54/32/573455432.db2.gz HYZNJACXMYSWJR-MNOVXSKESA-N 0 0 166.264 2.670 10 30 AFEERN C=C[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1 235601945 573455433 /nfs/dbraw/zinc/45/54/33/573455433.db2.gz IFRYNNIFZVSOSL-IEBDPFPHSA-N 0 0 166.264 2.526 10 30 AFEERN C=C(CC=O)CC1CCSCC1 258365872 573455477 /nfs/dbraw/zinc/45/54/77/573455477.db2.gz ZRAQHUKTGYKUBS-UHFFFAOYSA-N 0 0 184.304 2.665 10 30 AFEERN Cc1c(C(=O)CC#N)ccc2occc12 259455522 573455548 /nfs/dbraw/zinc/45/55/48/573455548.db2.gz LHIDGNHXQMOVCY-UHFFFAOYSA-N 0 0 199.209 2.838 10 30 AFEERN C=C1C[C@@H](C[C@@H](C)O)C[C@@H](C)C1 238400557 573455603 /nfs/dbraw/zinc/45/56/03/573455603.db2.gz VSTCOGUMRXFWJH-HBNTYKKESA-N 0 0 168.280 2.750 10 30 AFEERN C[C@@H]([C@@H](C#N)NCC1CC1)C(C)(C)C 308591457 573455710 /nfs/dbraw/zinc/45/57/10/573455710.db2.gz PCSPJISJSBOCRE-GXSJLCMTSA-N 0 0 194.322 2.560 10 30 AFEERN CC(C)(C)[C@H]1CC2=C(OCCC2)C1=O 212376677 573455863 /nfs/dbraw/zinc/45/58/63/573455863.db2.gz IWWSGNWLOHGUQM-VIFPVBQESA-N 0 0 194.274 2.686 10 30 AFEERN Cc1cc(C)c(-c2cc(C#N)c(C)[nH]2)[nH]1 259612176 573456066 /nfs/dbraw/zinc/45/60/66/573456066.db2.gz BPEONHMYABFEBW-UHFFFAOYSA-N 0 0 199.257 2.807 10 30 AFEERN C[C@H]([C@H](C#N)NCC1CC1)C(C)(C)C 308591459 573456258 /nfs/dbraw/zinc/45/62/58/573456258.db2.gz PCSPJISJSBOCRE-KOLCDFICSA-N 0 0 194.322 2.560 10 30 AFEERN C=C(C)[C@@H]1C[C@H](C)[C@H](C)C(O)=C1C=O 308591059 573456288 /nfs/dbraw/zinc/45/62/88/573456288.db2.gz OTOWSDVULYVDLU-HBKYAKMPSA-N 0 0 194.274 2.866 10 30 AFEERN CCCN[C@H](C#N)C1(C(C)C)CCC1 686134461 573456301 /nfs/dbraw/zinc/45/63/01/573456301.db2.gz VURMUJWAULNLIP-LLVKDONJSA-N 0 0 194.322 2.704 10 30 AFEERN CCCN[C@@H](C#N)C1(C(C)C)CCC1 686134462 573456351 /nfs/dbraw/zinc/45/63/51/573456351.db2.gz VURMUJWAULNLIP-NSHDSACASA-N 0 0 194.322 2.704 10 30 AFEERN C=C(C)[C@@H]1CC=C([C@H](C)O)CC1 142576173 573456360 /nfs/dbraw/zinc/45/63/60/573456360.db2.gz QMAIRFRHEGKGDA-VHSXEESVSA-N 0 0 166.264 2.670 10 30 AFEERN O=CC(F)(F)c1cccc(Cl)c1 257814219 573456388 /nfs/dbraw/zinc/45/63/88/573456388.db2.gz CLQHWCGHWLYALD-UHFFFAOYSA-N 0 0 190.576 2.631 10 30 AFEERN CC[C@H](CC#N)n1ncc2ccccc21 50525785 573456446 /nfs/dbraw/zinc/45/64/46/573456446.db2.gz FCQZSYZHUTYHFU-LLVKDONJSA-N 0 0 199.257 2.901 10 30 AFEERN C=C1CCCC(C)(C)[C@H]1CCO 34596536 573456501 /nfs/dbraw/zinc/45/65/01/573456501.db2.gz HOVWQPMBTGJSHL-JTQLQIEISA-N 0 0 168.280 2.751 10 30 AFEERN C=C[C@@H](O)CCC=C1CCCC1 238664611 573456522 /nfs/dbraw/zinc/45/65/22/573456522.db2.gz QFUVXFGWSWEDTK-LLVKDONJSA-N 0 0 166.264 2.814 10 30 AFEERN SCc1csc(-c2ccc[nH]2)n1 259453538 573456696 /nfs/dbraw/zinc/45/66/96/573456696.db2.gz XYHOKBIKYBAKQX-UHFFFAOYSA-N 0 0 196.300 2.568 10 30 AFEERN C=C(C)[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1 235601694 573458158 /nfs/dbraw/zinc/45/81/58/573458158.db2.gz WBGZNJRWNRWPKX-JLLWLGSASA-N 0 0 180.291 2.916 10 30 AFEERN CCc1nc([C@@H](C#N)CC)cs1 259455311 573457982 /nfs/dbraw/zinc/45/79/82/573457982.db2.gz YBJMEYPJMCNKAU-SSDOTTSWSA-N 0 0 180.276 2.723 10 30 AFEERN C=CC[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1 235602090 573458072 /nfs/dbraw/zinc/45/80/72/573458072.db2.gz LIUDGXOJTJBGRT-JLLWLGSASA-N 0 0 180.291 2.916 10 30 AFEERN CCCc1cccc(C#N)c1 142638507 573459072 /nfs/dbraw/zinc/45/90/72/573459072.db2.gz AJBMNDMITCOCOH-UHFFFAOYSA-N 0 0 145.205 2.511 10 30 AFEERN Cc1cc(C)c(O)c(C[C@H](C)C#N)c1 238402818 573459099 /nfs/dbraw/zinc/45/90/99/573459099.db2.gz TXBCGMXIGYDKFE-VIFPVBQESA-N 0 0 189.258 2.711 10 30 AFEERN N#CC[C@H](C1CCC1)C(F)(F)F 257813937 573459106 /nfs/dbraw/zinc/45/91/06/573459106.db2.gz CFGBNDATNNNMRY-SSDOTTSWSA-N 0 0 177.169 2.879 10 30 AFEERN C=C(C)[C@@H]1C=C[C@@H](C)[C@@H](C(C)=O)C1 238403219 573459149 /nfs/dbraw/zinc/45/91/49/573459149.db2.gz PORSJTCAAGJIMJ-JLLWLGSASA-N 0 0 178.275 2.980 10 30 AFEERN CC1=CC(=O)CC[C@@H]1C(C)(C)C 142648654 573459238 /nfs/dbraw/zinc/45/92/38/573459238.db2.gz LMCFQFCIKSBVRD-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN COc1ccc([C@H]2O[C@@H]2C)c(Cl)c1 259459103 573459571 /nfs/dbraw/zinc/45/95/71/573459571.db2.gz WQWLPOCEADMWML-LDWIPMOCSA-N 0 0 198.649 2.808 10 30 AFEERN O=CC[C@@H]1CCc2c(Cl)cccc21 257814720 573461510 /nfs/dbraw/zinc/46/15/10/573461510.db2.gz COZPCWJKMJHCHN-QMMMGPOBSA-N 0 0 194.661 2.959 10 30 AFEERN COc1ccc([C@@H]2O[C@@H]2C)c(Cl)c1 259459105 573461574 /nfs/dbraw/zinc/46/15/74/573461574.db2.gz WQWLPOCEADMWML-LHLIQPBNSA-N 0 0 198.649 2.808 10 30 AFEERN C=C[C@H](C)C[C@H](O)C=C(C)C 34601437 573461641 /nfs/dbraw/zinc/46/16/41/573461641.db2.gz GVHRVLICSWMZIG-VHSXEESVSA-N 0 0 154.253 2.526 10 30 AFEERN C=CC[C@]1(C)CC[C@@H]([C@@H](O)C(C)C)O1 308591827 573461840 /nfs/dbraw/zinc/46/18/40/573461840.db2.gz PIOKSMWQNKIDMX-SDDRHHMPSA-N 0 0 198.306 2.517 10 30 AFEERN COc1ccc([C@@H]2O[C@H]2C)c(Cl)c1 259459107 573462125 /nfs/dbraw/zinc/46/21/25/573462125.db2.gz WQWLPOCEADMWML-QUBYGPBYSA-N 0 0 198.649 2.808 10 30 AFEERN C=CC[C@]1(C)CC[C@@H]([C@H](O)C(C)C)O1 308591826 573462168 /nfs/dbraw/zinc/46/21/68/573462168.db2.gz PIOKSMWQNKIDMX-QJPTWQEYSA-N 0 0 198.306 2.517 10 30 AFEERN N#CCc1cc(C2CCCC2)ns1 259458280 573462187 /nfs/dbraw/zinc/46/21/87/573462187.db2.gz OWESTVWNWQLEEE-UHFFFAOYSA-N 0 0 192.287 2.867 10 30 AFEERN O=CC[C@H]1CCc2c(Cl)cccc21 257814719 573462624 /nfs/dbraw/zinc/46/26/24/573462624.db2.gz COZPCWJKMJHCHN-MRVPVSSYSA-N 0 0 194.661 2.959 10 30 AFEERN CC(C)(F)c1ccccc1CC#N 107268594 573462844 /nfs/dbraw/zinc/46/28/44/573462844.db2.gz WKXJWOZSIQWVSP-UHFFFAOYSA-N 0 0 177.222 2.957 10 30 AFEERN COc1ccc([C@H]2O[C@H]2C)c(Cl)c1 259459108 573462863 /nfs/dbraw/zinc/46/28/63/573462863.db2.gz WQWLPOCEADMWML-WKEGUHRASA-N 0 0 198.649 2.808 10 30 AFEERN Cc1ccc(C[C@H](C)C=O)c(F)c1 238404711 573463001 /nfs/dbraw/zinc/46/30/01/573463001.db2.gz PWOJNFOTYIWKOL-VIFPVBQESA-N 0 0 180.222 2.512 10 30 AFEERN O=CC[C@H](F)C1CCCCCC1 257814921 573463212 /nfs/dbraw/zinc/46/32/12/573463212.db2.gz COKNDTCTITYROA-JTQLQIEISA-N 0 0 172.243 2.884 10 30 AFEERN C[C@@H]1Cc2cc(Cl)cc(C#N)c2O1 238404891 573463342 /nfs/dbraw/zinc/46/33/42/573463342.db2.gz YUJAYIBBCOUQKX-ZCFIWIBFSA-N 0 0 193.633 2.535 10 30 AFEERN C=CCCCNc1c(C)cccc1N 393665553 573464000 /nfs/dbraw/zinc/46/40/00/573464000.db2.gz INJFEQGQHQIWDU-UHFFFAOYSA-N 0 0 190.290 2.955 10 30 AFEERN C[C@@H]1CC[C@](C)(C#N)C1(C)C 146052470 573464127 /nfs/dbraw/zinc/46/41/27/573464127.db2.gz WCGIPBBSLDCJGU-PSASIEDQSA-N 0 0 151.253 2.972 10 30 AFEERN C[C@H](C=O)C(C)(C)c1ccccc1 197343247 573464291 /nfs/dbraw/zinc/46/42/91/573464291.db2.gz AONPNXIWTSYSGN-SNVBAGLBSA-N 0 0 176.259 2.799 10 30 AFEERN CCc1cc(CCC=O)ccc1F 258034893 573464310 /nfs/dbraw/zinc/46/43/10/573464310.db2.gz PLMWBEXXSQUEKP-UHFFFAOYSA-N 0 0 180.222 2.520 10 30 AFEERN C=CCCCC[C@H](O)CC=C 238667301 573464337 /nfs/dbraw/zinc/46/43/37/573464337.db2.gz ZRUREHLZLPVJSJ-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN CSc1ccc(CCC=O)cc1F 258037460 573464436 /nfs/dbraw/zinc/46/44/36/573464436.db2.gz FWKYPWPUAROQCZ-UHFFFAOYSA-N 0 0 198.262 2.679 10 30 AFEERN C[C@@H](CC=O)c1cccc(F)c1CF 258036114 573464456 /nfs/dbraw/zinc/46/44/56/573464456.db2.gz JLIIVKVTHYCHHR-QMMMGPOBSA-N 0 0 198.212 2.988 10 30 AFEERN COc1cc2ccsc2cc1C#N 238405387 573464789 /nfs/dbraw/zinc/46/47/89/573464789.db2.gz QCBRPNGNFPWUTO-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN C[Si](C)(C)[C@H]1CCC=CC1=O 197344193 573465310 /nfs/dbraw/zinc/46/53/10/573465310.db2.gz ZXYKWNPKUVTOGC-VIFPVBQESA-N 0 0 168.312 2.614 10 30 AFEERN CC1=CC(=O)C(=C(C)C)C[C@H]1C 238405551 573465380 /nfs/dbraw/zinc/46/53/80/573465380.db2.gz LEPKXXDTWDCWRS-MRVPVSSYSA-N 0 0 164.248 2.878 10 30 AFEERN Cc1ccc(-c2c[nH]c(C#N)n2)c(C)c1 78962971 573465383 /nfs/dbraw/zinc/46/53/83/573465383.db2.gz GZXBBHOGWRVSGC-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C[C@](F)(CC#N)c1cccc(F)c1 107276490 573465652 /nfs/dbraw/zinc/46/56/52/573465652.db2.gz NUQBOTUHTYXVON-JTQLQIEISA-N 0 0 181.185 2.924 10 30 AFEERN CCc1ccc(/C(C)=N\O)s1 214414285 573465669 /nfs/dbraw/zinc/46/56/69/573465669.db2.gz ZPGOTLMISRAVDN-TWGQIWQCSA-N 0 0 169.249 2.509 10 30 AFEERN C#Cc1c(C=C)cc(O)c2c1CCC2 34540856 573465728 /nfs/dbraw/zinc/46/57/28/573465728.db2.gz UHCQVPBXNWIGDL-UHFFFAOYSA-N 0 0 184.238 2.505 10 30 AFEERN C[C@@](F)(CC#N)c1ccc(F)cc1 107277067 573465736 /nfs/dbraw/zinc/46/57/36/573465736.db2.gz OMQXPLKVYVKNID-SNVBAGLBSA-N 0 0 181.185 2.924 10 30 AFEERN C[C@@](F)(CC#N)Cc1ccccc1 107274866 573465889 /nfs/dbraw/zinc/46/58/89/573465889.db2.gz WBKLJRXPZWOXLF-LLVKDONJSA-N 0 0 177.222 2.871 10 30 AFEERN C=C(F)[C@H](O)/C=C/c1ccccc1 34618353 573465894 /nfs/dbraw/zinc/46/58/94/573465894.db2.gz LYHFUFDQEQMEMD-WSKFYRRCSA-N 0 0 178.206 2.544 10 30 AFEERN N#CCC(F)(F)c1ccc(F)cc1 107277063 573466264 /nfs/dbraw/zinc/46/62/64/573466264.db2.gz KSYKGCGFKODFIV-UHFFFAOYSA-N 0 0 185.148 2.831 10 30 AFEERN CC(C)(C)S[C@@H](C#N)C(F)(F)F 86501795 573466353 /nfs/dbraw/zinc/46/63/53/573466353.db2.gz HOKYBSZMBULNBJ-YFKPBYRVSA-N 0 0 197.225 2.973 10 30 AFEERN C[C@](F)(CC#N)c1ccccc1F 107275849 573466421 /nfs/dbraw/zinc/46/64/21/573466421.db2.gz KISJDNCHXQOYRZ-JTQLQIEISA-N 0 0 181.185 2.924 10 30 AFEERN O=C1CC2=C1CCCCCC2 224154718 573466990 /nfs/dbraw/zinc/46/69/90/573466990.db2.gz NLSQRXUBKPADDI-UHFFFAOYSA-N 0 0 150.221 2.610 10 30 AFEERN C[C@@H](C=O)C(C)(C)c1ccccc1 197343240 573466623 /nfs/dbraw/zinc/46/66/23/573466623.db2.gz AONPNXIWTSYSGN-JTQLQIEISA-N 0 0 176.259 2.799 10 30 AFEERN C=CC[C@H](C)Cc1cc(Cl)n(C)n1 715816733 573471100 /nfs/dbraw/zinc/47/11/00/573471100.db2.gz YIKPRGUCGZCZBQ-QMMMGPOBSA-N 0 0 198.697 2.828 10 30 AFEERN C[C@@H]1CC(C)(C)[C@@H]2CC(C=O)=C(O)[C@H]12 308584623 573471172 /nfs/dbraw/zinc/47/11/72/573471172.db2.gz LOLRFKOVOYNPBT-JHXSXUAGSA-N 0 0 194.274 2.700 10 30 AFEERN CC(C)[C@H]1CCCC[C@]1(O)CCC=O 308583117 573471211 /nfs/dbraw/zinc/47/12/11/573471211.db2.gz KVJIFLDAHQOJDV-NEPJUHHUSA-N 0 0 198.306 2.543 10 30 AFEERN Cc1ccc([C@H](C)CC=O)cc1F 258037547 573471287 /nfs/dbraw/zinc/47/12/87/573471287.db2.gz PRVUKESNOHGGOE-MRVPVSSYSA-N 0 0 180.222 2.827 10 30 AFEERN CC[C@H](C#N)CN(C)c1ccccc1 258664986 573471396 /nfs/dbraw/zinc/47/13/96/573471396.db2.gz NWMXTXYLZOTGFM-LLVKDONJSA-N 0 0 188.274 2.673 10 30 AFEERN Cc1ccc([C@@H](C)CC=O)cc1F 258037550 573471772 /nfs/dbraw/zinc/47/17/72/573471772.db2.gz PRVUKESNOHGGOE-QMMMGPOBSA-N 0 0 180.222 2.827 10 30 AFEERN C[C@H](F)[C@H](C=O)C1CCCCC1 257820851 573471418 /nfs/dbraw/zinc/47/14/18/573471418.db2.gz FSIAVOIJHGLUES-WPRPVWTQSA-N 0 0 172.243 2.740 10 30 AFEERN C[C@@H]1CC(C)(C)[C@@H]2CC(C=O)=C(O)[C@@H]12 308584624 573471598 /nfs/dbraw/zinc/47/15/98/573471598.db2.gz LOLRFKOVOYNPBT-YDRQUVHCSA-N 0 0 194.274 2.700 10 30 AFEERN CC[C@@H](C)ON=C(C)c1nccs1 308392122 573476446 /nfs/dbraw/zinc/47/64/46/573476446.db2.gz BNRMMMBEMSXDQO-SSDOTTSWSA-N 0 0 198.291 2.682 10 30 AFEERN C[C@H](C#N)c1ccccc1OC1CC1 238414272 573476491 /nfs/dbraw/zinc/47/64/91/573476491.db2.gz WVWWGSWJMHUMTM-SECBINFHSA-N 0 0 187.242 2.855 10 30 AFEERN C=CC[C@@H](C)c1ccc(OC)nc1 715828081 573479965 /nfs/dbraw/zinc/47/99/65/573479965.db2.gz IDCNRJBHUXJCFG-SECBINFHSA-N 0 0 177.247 2.770 10 30 AFEERN C=CCC(=O)[C@H](C)C(C)(C)C 238412240 573476021 /nfs/dbraw/zinc/47/60/21/573476021.db2.gz CJFVSNPGUSRMOS-QMMMGPOBSA-N 0 0 154.253 2.814 10 30 AFEERN N#Cc1cc2c(Cl)c(N)ccc2o1 259464683 573476092 /nfs/dbraw/zinc/47/60/92/573476092.db2.gz PIYLQTDXALDXEG-UHFFFAOYSA-N 0 0 192.605 2.540 10 30 AFEERN C=C[C@](C)(CCO)c1ccc(C)cc1 308585365 573476161 /nfs/dbraw/zinc/47/61/61/573476161.db2.gz LWWZGHVHJFBROT-CYBMUJFWSA-N 0 0 190.286 2.821 10 30 AFEERN C=C[C@@](C)(CCO)c1ccc(C)cc1 308585366 573477404 /nfs/dbraw/zinc/47/74/04/573477404.db2.gz LWWZGHVHJFBROT-ZDUSSCGKSA-N 0 0 190.286 2.821 10 30 AFEERN CCC(CC)Oc1ncccc1C#N 259469370 573476291 /nfs/dbraw/zinc/47/62/91/573476291.db2.gz NOCYTUUMQRUZJY-UHFFFAOYSA-N 0 0 190.246 2.521 10 30 AFEERN Cc1nc(C2CCC2)sc1C#N 258668206 573476296 /nfs/dbraw/zinc/47/62/96/573476296.db2.gz SZUNZBBFLPPVOZ-UHFFFAOYSA-N 0 0 178.260 2.591 10 30 AFEERN C[C@H]1CCC[C@]1(C#N)NC1CCCC1 83393385 573476410 /nfs/dbraw/zinc/47/64/10/573476410.db2.gz YYSDKUIOESIORS-CMPLNLGQSA-N 0 0 192.306 2.601 10 30 AFEERN C[C@@H](C#N)c1nc2ccc(F)cc2o1 107291997 573476878 /nfs/dbraw/zinc/47/68/78/573476878.db2.gz OSRMEXVTHBDORC-LURJTMIESA-N 0 0 190.177 2.594 10 30 AFEERN C[C@@H]1CCC[C@]1(C#N)NC1CCCC1 83393383 573476916 /nfs/dbraw/zinc/47/69/16/573476916.db2.gz YYSDKUIOESIORS-ZYHUDNBSSA-N 0 0 192.306 2.601 10 30 AFEERN C[C@H]1CCC[C@@]1(C#N)NC1CCCC1 83393382 573477070 /nfs/dbraw/zinc/47/70/70/573477070.db2.gz YYSDKUIOESIORS-JQWIXIFHSA-N 0 0 192.306 2.601 10 30 AFEERN CC(C)[C@H](C#N)CC1CCC1 259467504 573477102 /nfs/dbraw/zinc/47/71/02/573477102.db2.gz RMWBIJWHBFEUQH-JTQLQIEISA-N 0 0 151.253 2.972 10 30 AFEERN CCCCCC/C=C\C[C@H](O)[C@H]1CO1 308593978 573477247 /nfs/dbraw/zinc/47/72/47/573477247.db2.gz QRQZKCZDAOJTRG-FUMJMOHISA-N 0 0 198.306 2.663 10 30 AFEERN N#Cc1cc2c(N)ccc(Cl)c2o1 259467278 573477248 /nfs/dbraw/zinc/47/72/48/573477248.db2.gz PSHCUDQISFJKAS-UHFFFAOYSA-N 0 0 192.605 2.540 10 30 AFEERN CCCCCC/C=C\C[C@H](O)[C@@H]1CO1 308593979 573477423 /nfs/dbraw/zinc/47/74/23/573477423.db2.gz QRQZKCZDAOJTRG-XPOJSHTGSA-N 0 0 198.306 2.663 10 30 AFEERN C[C@@H](O)C#C[Si](C)(C)C1CCCC1 238413576 573477499 /nfs/dbraw/zinc/47/74/99/573477499.db2.gz IQOABMXAQBWIES-SNVBAGLBSA-N 0 0 196.366 2.562 10 30 AFEERN C[C@H](C#N)c1nc2cc(F)ccc2o1 107291981 573477534 /nfs/dbraw/zinc/47/75/34/573477534.db2.gz HQLOSCRKJPYKBF-ZCFIWIBFSA-N 0 0 190.177 2.594 10 30 AFEERN C=C1C(=O)CC[C@]12CC[C@@H](C)C2 238413969 573477538 /nfs/dbraw/zinc/47/75/38/573477538.db2.gz JYAKPTXGBDFTMQ-KCJUWKMLSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H](C#N)c1nc2cccc(F)c2o1 107291971 573477974 /nfs/dbraw/zinc/47/79/74/573477974.db2.gz HNYDPMHIKIQMOT-ZCFIWIBFSA-N 0 0 190.177 2.594 10 30 AFEERN C[C@@H](C#N)c1nc2cc(F)ccc2o1 107291978 573478082 /nfs/dbraw/zinc/47/80/82/573478082.db2.gz HQLOSCRKJPYKBF-LURJTMIESA-N 0 0 190.177 2.594 10 30 AFEERN C[C@@H]1O[C@H]1c1ccc(F)c(Cl)c1 259105905 573478131 /nfs/dbraw/zinc/47/81/31/573478131.db2.gz CNRVSNHDGYTIMK-SSDLBLMSSA-N 0 0 186.613 2.939 10 30 AFEERN C[C@H](Cc1cccs1)[C@@H]1O[C@@H]1C 238413559 573478286 /nfs/dbraw/zinc/47/82/86/573478286.db2.gz JGARCRKYYOQAGO-MRTMQBJTSA-N 0 0 182.288 2.714 10 30 AFEERN C[C@H](C#N)[C@H](C#N)c1ccc(F)cc1 238413318 573478340 /nfs/dbraw/zinc/47/83/40/573478340.db2.gz RNKWREIDZRUCTR-KCJUWKMLSA-N 0 0 188.205 2.593 10 30 AFEERN C#CCC[C@H](C)c1ccc(O)cc1 238413641 573478499 /nfs/dbraw/zinc/47/84/99/573478499.db2.gz BZFQHXPEPFKVKY-JTQLQIEISA-N 0 0 174.243 2.909 10 30 AFEERN C[C@@H]1CC[C@]23CC(=O)C=C2CC[C@@H]13 238414451 573478711 /nfs/dbraw/zinc/47/87/11/573478711.db2.gz OEHOXEDQHGIXFQ-ZHAHWJHGSA-N 0 0 176.259 2.712 10 30 AFEERN O=C[C@H]1C[C@]1(c1ccccc1)C1CC1 257819582 573480474 /nfs/dbraw/zinc/48/04/74/573480474.db2.gz FITJGYGRUQZDLL-OLZOCXBDSA-N 0 0 186.254 2.553 10 30 AFEERN C=C[C@]1(C)CCC[C@@H](C)C1=O 238414100 573480492 /nfs/dbraw/zinc/48/04/92/573480492.db2.gz XCKISADUBZGOIL-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H](C)c1cncs1 715828619 573480071 /nfs/dbraw/zinc/48/00/71/573480071.db2.gz IHMDRJSQTUSARA-ZETCQYMHSA-N 0 0 153.250 2.823 10 30 AFEERN C=CC[C@@H]1CCCC[C@]1(C)OCCO 308595130 573480090 /nfs/dbraw/zinc/48/00/90/573480090.db2.gz RJWYIZQUZYAFJL-NEPJUHHUSA-N 0 0 198.306 2.520 10 30 AFEERN C[C@@H]1O[C@@H]1c1ccc(F)c(Cl)c1 259105899 573480426 /nfs/dbraw/zinc/48/04/26/573480426.db2.gz CNRVSNHDGYTIMK-CDUCUWFYSA-N 0 0 186.613 2.939 10 30 AFEERN CC(C)(C#N)CNc1ccccc1C#N 258675998 573481483 /nfs/dbraw/zinc/48/14/83/573481483.db2.gz OVSTYINJWVKXKG-UHFFFAOYSA-N 0 0 199.257 2.520 10 30 AFEERN C=C(c1ccc(Cl)cc1)[C@@H](C)O 238415691 573481956 /nfs/dbraw/zinc/48/19/56/573481956.db2.gz BZQIPDROKDXPIU-MRVPVSSYSA-N 0 0 182.650 2.734 10 30 AFEERN C=C(C)[C@@]1(C)C[C@H](C)CC1=O 238415014 573481996 /nfs/dbraw/zinc/48/19/96/573481996.db2.gz RMFAEVFONOKGNA-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CCCC[C@]1(C)OCCO 308595132 573482043 /nfs/dbraw/zinc/48/20/43/573482043.db2.gz RJWYIZQUZYAFJL-RYUDHWBXSA-N 0 0 198.306 2.520 10 30 AFEERN SCc1nc(-c2ccccc2)c[nH]1 259106321 573482060 /nfs/dbraw/zinc/48/20/60/573482060.db2.gz OMNYFGXOJWHZCX-UHFFFAOYSA-N 0 0 190.271 2.507 10 30 AFEERN C=C([C@@H](C)C(C)=O)C(C)(C)C 238415590 573482078 /nfs/dbraw/zinc/48/20/78/573482078.db2.gz RIMHWQQEMCXDJH-SSDOTTSWSA-N 0 0 154.253 2.814 10 30 AFEERN C=C(C)/C=C/[C@H](O)C[C@H](C)CCC#N 308596499 573482084 /nfs/dbraw/zinc/48/20/84/573482084.db2.gz SDEFWGZZBYUYTR-JIVBQCDMSA-N 0 0 193.290 2.810 10 30 AFEERN C[C@H]1C=CC(=O)[C@H](C(C)(C)C)C1 238415940 573482150 /nfs/dbraw/zinc/48/21/50/573482150.db2.gz XKKBJXMXPYITJE-DTWKUNHWSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1C[C@@H]2C(=O)CC[C@]12C(C)C 39103922 573482265 /nfs/dbraw/zinc/48/22/65/573482265.db2.gz XAXGCHFPFRMEOR-KOLCDFICSA-N 0 0 164.248 2.568 10 30 AFEERN COc1ccccc1CC(C)(C)S 258675315 573482485 /nfs/dbraw/zinc/48/24/85/573482485.db2.gz FRKXBAWYGYGSAJ-UHFFFAOYSA-N 0 0 196.315 2.946 10 30 AFEERN C=C1C=C[C@@]2(C)C(=O)CCC[C@H]2C1 238414609 573482528 /nfs/dbraw/zinc/48/25/28/573482528.db2.gz LAMSPZUGMLGZLS-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1C(=O)C=C[C@@]2(C)C(=C)CC[C@H]12 238414664 573482742 /nfs/dbraw/zinc/48/27/42/573482742.db2.gz VYGCJGOJUVUUPU-PWSUYJOCSA-N 0 0 174.243 2.654 10 30 AFEERN N#CC[C@@H](C(F)F)C1CCCC1 257819440 573482787 /nfs/dbraw/zinc/48/27/87/573482787.db2.gz FGPOKXWMSYVMQW-MRVPVSSYSA-N 0 0 173.206 2.972 10 30 AFEERN C=C(c1ccccc1)[C@@H](C)C(C)=O 238415616 573482803 /nfs/dbraw/zinc/48/28/03/573482803.db2.gz UEEBNJPSGARHLC-SECBINFHSA-N 0 0 174.243 2.925 10 30 AFEERN C=C(c1cccc(Cl)c1)[C@@H](C)O 238415794 573482816 /nfs/dbraw/zinc/48/28/16/573482816.db2.gz SXGFTFJFHFRHPE-MRVPVSSYSA-N 0 0 182.650 2.734 10 30 AFEERN C=C1C(=O)C=C[C@@]2(C)C(=C)CC[C@@H]12 238414648 573482862 /nfs/dbraw/zinc/48/28/62/573482862.db2.gz VYGCJGOJUVUUPU-JQWIXIFHSA-N 0 0 174.243 2.654 10 30 AFEERN C=CCCC[C@@H](C)CC=O 238416180 573489050 /nfs/dbraw/zinc/48/90/50/573489050.db2.gz WJEYIRUETSCEBF-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN CCC=C=CC(=O)CCCCC 238247395 573482928 /nfs/dbraw/zinc/48/29/28/573482928.db2.gz NGRUCHGWTKXTLW-UHFFFAOYSA-N 0 0 166.264 2.939 10 30 AFEERN C=CCC(=O)[C@@H](C)C(C)(C)C 238415170 573483052 /nfs/dbraw/zinc/48/30/52/573483052.db2.gz CJFVSNPGUSRMOS-MRVPVSSYSA-N 0 0 154.253 2.814 10 30 AFEERN C=C1C[C@H]2C(=O)CC[C@@]12C(C)C 39103919 573483303 /nfs/dbraw/zinc/48/33/03/573483303.db2.gz XAXGCHFPFRMEOR-GXSJLCMTSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=CC(=O)CC[C@]12CC=C[C@@H]2C 223109851 573483314 /nfs/dbraw/zinc/48/33/14/573483314.db2.gz IXAYMUYNDILDST-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc(C)c2[nH]cc(CC=O)c2c1 107292298 573483326 /nfs/dbraw/zinc/48/33/26/573483326.db2.gz IQJLGVHXRXXEGT-UHFFFAOYSA-N 0 0 187.242 2.526 10 30 AFEERN C=C(C)/C=C\[C@H](O)C[C@H](C)CCC#N 308596501 573483429 /nfs/dbraw/zinc/48/34/29/573483429.db2.gz SDEFWGZZBYUYTR-PBWNMSGQSA-N 0 0 193.290 2.810 10 30 AFEERN C=C(CC(C)=C(C)C)[C@@H](C)O 238415215 573483368 /nfs/dbraw/zinc/48/33/68/573483368.db2.gz LFQABLMCLCYDQF-SNVBAGLBSA-N 0 0 154.253 2.670 10 30 AFEERN C=C(C(C)=O)[C@@H](C)c1ccccc1 238414727 573485029 /nfs/dbraw/zinc/48/50/29/573485029.db2.gz ZCLCYQSSPRFQST-SNVBAGLBSA-N 0 0 174.243 2.935 10 30 AFEERN CCc1ccoc1[C@H](C#N)CC 259471063 573484464 /nfs/dbraw/zinc/48/44/64/573484464.db2.gz BMAZHPQFDCQFRP-VIFPVBQESA-N 0 0 163.220 2.859 10 30 AFEERN Cc1cccc([C@@H](C)CC=O)c1F 258046097 573484491 /nfs/dbraw/zinc/48/44/91/573484491.db2.gz QTQUXYVLQGKGTJ-QMMMGPOBSA-N 0 0 180.222 2.827 10 30 AFEERN C=C(SC1CCCCC1)[C@@H](C)O 238415488 573484845 /nfs/dbraw/zinc/48/48/45/573484845.db2.gz BTYAESVOBJKPRL-MRVPVSSYSA-N 0 0 186.320 2.947 10 30 AFEERN CC(C)Sc1cccc(CC=O)c1 257820123 573488911 /nfs/dbraw/zinc/48/89/11/573488911.db2.gz FQXTVAPTJWESJX-UHFFFAOYSA-N 0 0 194.299 2.929 10 30 AFEERN C=C[C@@H]1CC[C@@H]2CCC(=O)C[C@@]12C 238416893 573489384 /nfs/dbraw/zinc/48/93/84/573489384.db2.gz PVOMRSIFWQJGMZ-FOGDFJRCSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@H]1CC(=O)C[C@H](C)C1 238416349 573486679 /nfs/dbraw/zinc/48/66/79/573486679.db2.gz VRHFVOKFJLWHCA-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc(NCS)cc1C 258676066 573486783 /nfs/dbraw/zinc/48/67/83/573486783.db2.gz OXOLJWXEESAJBJ-UHFFFAOYSA-N 0 0 167.277 2.603 10 30 AFEERN CC#C[C@H](C)CC[C@H](O)[C@@H](C)/C=C\C 308593659 573487017 /nfs/dbraw/zinc/48/70/17/573487017.db2.gz QNICQGYSWSCKRM-SHYGTOARSA-N 0 0 194.318 2.999 10 30 AFEERN C=C[C@@H]1CC[C@H]2C=CC(=O)C[C@@]12C 238416610 573487105 /nfs/dbraw/zinc/48/71/05/573487105.db2.gz SZGMDCCGLHCDRD-SCVCMEIPSA-N 0 0 176.259 2.734 10 30 AFEERN Cc1nccc2cc(CC#N)ccc12 258039161 573487148 /nfs/dbraw/zinc/48/71/48/573487148.db2.gz JPRYTQGOMOEOEN-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN C=CC[C@H](OC)/C(C)=C\[C@@H](C)CCO 308593604 573490299 /nfs/dbraw/zinc/49/02/99/573490299.db2.gz QKRORFLHSDMTDE-JHSTVQJJSA-N 0 0 198.306 2.542 10 30 AFEERN Cc1ccc(-c2c[nH]nc2C#N)c(C)c1 259469551 573487392 /nfs/dbraw/zinc/48/73/92/573487392.db2.gz PWUCCWKFTNXQGV-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C=C1CC=C[C@]2(C)CC(=O)CC[C@@H]12 238416825 573487404 /nfs/dbraw/zinc/48/74/04/573487404.db2.gz VUESWIZDVGZPHY-NWDGAFQWSA-N 0 0 176.259 2.878 10 30 AFEERN CCC1([C@H](C=O)OC(C)C)CCC1 686131562 573487491 /nfs/dbraw/zinc/48/74/91/573487491.db2.gz SKLUDECXBJEIHP-JTQLQIEISA-N 0 0 184.279 2.559 10 30 AFEERN CCOc1ccc([C@@H]2O[C@H]2C)cc1C 259471117 573487588 /nfs/dbraw/zinc/48/75/88/573487588.db2.gz XOBXGNITFVHHNH-JOYOIKCWSA-N 0 0 192.258 2.854 10 30 AFEERN C=CC[C@@H]1CC[C@H]2CC(=O)C[C@@]12C 238417045 573487592 /nfs/dbraw/zinc/48/75/92/573487592.db2.gz PJDSWLCOLZWRKQ-SCVCMEIPSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCc1cc(OC)cc(Cl)c1O 238416251 573487669 /nfs/dbraw/zinc/48/76/69/573487669.db2.gz BXDAOZYTQNWWGS-UHFFFAOYSA-N 0 0 198.649 2.783 10 30 AFEERN C[C@@H]1CCC[C@]12C=CC(=O)CC2 238415990 573487942 /nfs/dbraw/zinc/48/79/42/573487942.db2.gz HTUYEHHCKVMKJF-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1C[C@H]2C(=O)CC[C@]12C(C)C 39103920 573487956 /nfs/dbraw/zinc/48/79/56/573487956.db2.gz XAXGCHFPFRMEOR-ONGXEEELSA-N 0 0 164.248 2.568 10 30 AFEERN Cn1ccc(-c2ccccc2)c1C#N 259471789 573487963 /nfs/dbraw/zinc/48/79/63/573487963.db2.gz QGOMYJYUUSQEDH-UHFFFAOYSA-N 0 0 182.226 2.564 10 30 AFEERN C[C@@H]1CCC[C@@H](n2cc(C#N)cn2)C1 238416153 573488038 /nfs/dbraw/zinc/48/80/38/573488038.db2.gz VUPDTTRGRZFAKK-MWLCHTKSSA-N 0 0 189.262 2.506 10 30 AFEERN COc1ccc([C@@H](C)F)cc1C#N 258039749 573488208 /nfs/dbraw/zinc/48/82/08/573488208.db2.gz QCMAEUZPFLQWBU-SSDOTTSWSA-N 0 0 179.194 2.597 10 30 AFEERN CC#C[C@H](C)CC[C@H](O)[C@H](C)/C=C\C 308593658 573488266 /nfs/dbraw/zinc/48/82/66/573488266.db2.gz QNICQGYSWSCKRM-CJUQRIDISA-N 0 0 194.318 2.999 10 30 AFEERN CC[C@]1(c2ccc(F)cc2)C[C@@H]1C=O 257820024 573488360 /nfs/dbraw/zinc/48/83/60/573488360.db2.gz FNOWBNUHNNSSCU-ZYHUDNBSSA-N 0 0 192.233 2.692 10 30 AFEERN C=CCc1cc(O)c(Cl)cc1OC 238416510 573488365 /nfs/dbraw/zinc/48/83/65/573488365.db2.gz ADNCBCJDJJDJOB-UHFFFAOYSA-N 0 0 198.649 2.783 10 30 AFEERN C=CC[C@H](OC)/C(C)=C/[C@@H](C)CCO 308593602 573488530 /nfs/dbraw/zinc/48/85/30/573488530.db2.gz QKRORFLHSDMTDE-CLCRQULESA-N 0 0 198.306 2.542 10 30 AFEERN CC[C@@]1(c2ccc(F)cc2)C[C@@H]1C=O 257820023 573488706 /nfs/dbraw/zinc/48/87/06/573488706.db2.gz FNOWBNUHNNSSCU-PWSUYJOCSA-N 0 0 192.233 2.692 10 30 AFEERN CCCC[C@](C)(O)CCCCC=O 238252781 573488854 /nfs/dbraw/zinc/48/88/54/573488854.db2.gz WDHMRSYCABCCTB-NSHDSACASA-N 0 0 186.295 2.687 10 30 AFEERN COc1ccc([C@H](C)F)cc1C#N 258039750 573488950 /nfs/dbraw/zinc/48/89/50/573488950.db2.gz QCMAEUZPFLQWBU-ZETCQYMHSA-N 0 0 179.194 2.597 10 30 AFEERN CC#C[C@H](C)CC[C@H](O)[C@H](C)/C=C/C 308593657 573488959 /nfs/dbraw/zinc/48/89/59/573488959.db2.gz QNICQGYSWSCKRM-ATCZSJEQSA-N 0 0 194.318 2.999 10 30 AFEERN C[C@@H]1CCC[C@@]2(C)C(=O)C=CC=C12 238416176 573488970 /nfs/dbraw/zinc/48/89/70/573488970.db2.gz RXWUGVVXMIDGSZ-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN O=CC/C=C\CC1CCSCC1 258040213 573489200 /nfs/dbraw/zinc/48/92/00/573489200.db2.gz CMGKQEPRDDHUEY-UPHRSURJSA-N 0 0 184.304 2.665 10 30 AFEERN C=CC[C@H](OC)/C(C)=C/[C@H](C)CCO 308593605 573489232 /nfs/dbraw/zinc/48/92/32/573489232.db2.gz QKRORFLHSDMTDE-ZYHQFBDJSA-N 0 0 198.306 2.542 10 30 AFEERN C=C(C)[C@]1(C)C[C@H](C)CC1=O 238416790 573489267 /nfs/dbraw/zinc/48/92/67/573489267.db2.gz RMFAEVFONOKGNA-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN CO[C@]1(CC=O)C[C@@H](C)CC(C)(C)C1 238416922 573489584 /nfs/dbraw/zinc/48/95/84/573489584.db2.gz BVARLPWHUCBHLC-CMPLNLGQSA-N 0 0 198.306 2.807 10 30 AFEERN CO[C@]1(CC=O)C[C@H](C)CC(C)(C)C1 238416937 573489613 /nfs/dbraw/zinc/48/96/13/573489613.db2.gz BVARLPWHUCBHLC-ZYHUDNBSSA-N 0 0 198.306 2.807 10 30 AFEERN C=C1CC=C[C@]2(C)CC(=O)CC[C@H]12 238416704 573489667 /nfs/dbraw/zinc/48/96/67/573489667.db2.gz VUESWIZDVGZPHY-VXGBXAGGSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc(O[C@H](C)C=O)ccc1Cl 238416431 573490040 /nfs/dbraw/zinc/49/00/40/573490040.db2.gz GAYFRMBVWFPPQC-MRVPVSSYSA-N 0 0 198.649 2.615 10 30 AFEERN C=C[C@@H]1CC[C@H]2CCC(=O)C[C@@]12C 238416807 573490073 /nfs/dbraw/zinc/49/00/73/573490073.db2.gz PVOMRSIFWQJGMZ-SCVCMEIPSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H](CC=O)c1ccc2cc[nH]c2c1 258039177 573490179 /nfs/dbraw/zinc/49/01/79/573490179.db2.gz JQDWJMSPXFXNTR-SECBINFHSA-N 0 0 187.242 2.860 10 30 AFEERN C=CC[C@H](OC)/C(C)=C\[C@H](C)CCO 308593603 573490386 /nfs/dbraw/zinc/49/03/86/573490386.db2.gz QKRORFLHSDMTDE-JFTBMZSVSA-N 0 0 198.306 2.542 10 30 AFEERN Cc1ccc(F)c([C@@H](C)CC=O)c1F 258039151 573490428 /nfs/dbraw/zinc/49/04/28/573490428.db2.gz JPHKQWQHOSYHHF-ZETCQYMHSA-N 0 0 198.212 2.966 10 30 AFEERN C[C@H](C=O)c1ccc2c(c1)C[C@H](C)C2 238406837 573491624 /nfs/dbraw/zinc/49/16/24/573491624.db2.gz BANRPHAEPNIURS-NXEZZACHSA-N 0 0 188.270 2.724 10 30 AFEERN C[C@@H]1Cc2ccc([C@@H](C)C=O)cc2C1 238406766 573491631 /nfs/dbraw/zinc/49/16/31/573491631.db2.gz BANRPHAEPNIURS-ZJUUUORDSA-N 0 0 188.270 2.724 10 30 AFEERN CC(=NOCC1CC1)c1cccs1 308394797 573492247 /nfs/dbraw/zinc/49/22/47/573492247.db2.gz CQARSKRUBBTDHU-UHFFFAOYSA-N 0 0 195.287 2.899 10 30 AFEERN CC1=C[C@H](C)CC(C)(C)[C@@H]1C=O 238421517 573492222 /nfs/dbraw/zinc/49/22/22/573492222.db2.gz VCKUWUSQGCAERM-WCBMZHEXSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@H](C#N)CNc1ccccc1C#N 258686751 573491569 /nfs/dbraw/zinc/49/15/69/573491569.db2.gz PXTOQZVKCVCYLU-SNVBAGLBSA-N 0 0 199.257 2.520 10 30 AFEERN N#C[C@@H]1CCc2ccc(Cl)cc2O1 259474886 573491743 /nfs/dbraw/zinc/49/17/43/573491743.db2.gz HKQAQXLRXMTYIY-VIFPVBQESA-N 0 0 193.633 2.557 10 30 AFEERN CC[C@@H](C#N)CNc1ccccc1C#N 258686746 573491890 /nfs/dbraw/zinc/49/18/90/573491890.db2.gz PXTOQZVKCVCYLU-JTQLQIEISA-N 0 0 199.257 2.520 10 30 AFEERN Cc1ccc(O)c([C@@H](C)CC=O)c1C 258042374 573491914 /nfs/dbraw/zinc/49/19/14/573491914.db2.gz JUCLRAHRLYQAMO-VIFPVBQESA-N 0 0 192.258 2.702 10 30 AFEERN C=C(C)CCOC(=O)/C(C)=C\CC 308394601 573492063 /nfs/dbraw/zinc/49/20/63/573492063.db2.gz CPBBAJLVPBEEEI-POHAHGRESA-N 0 0 182.263 2.852 10 30 AFEERN Cc1cc2ccc(CCC=O)cc2cn1 258040749 573492076 /nfs/dbraw/zinc/49/20/76/573492076.db2.gz GAOUEYLXJLFWQE-UHFFFAOYSA-N 0 0 199.253 2.675 10 30 AFEERN C=C(C)CCOC(=O)/C(C)=C/CC 308394603 573492104 /nfs/dbraw/zinc/49/21/04/573492104.db2.gz CPBBAJLVPBEEEI-UXBLZVDNSA-N 0 0 182.263 2.852 10 30 AFEERN C=C(C)[C@@]1(O)CC(C)(C)C[C@@H]1C 235608432 573492173 /nfs/dbraw/zinc/49/21/73/573492173.db2.gz KZDXMUZMRCQCAC-ONGXEEELSA-N 0 0 168.280 2.750 10 30 AFEERN Cc1cnc2ccc(CS)cc2c1 259107236 573492945 /nfs/dbraw/zinc/49/29/45/573492945.db2.gz GAGXIZPQRRVLMU-UHFFFAOYSA-N 0 0 189.283 2.973 10 30 AFEERN C[C@H]1CCC[C@@H](C#N)CC1 83427419 573492825 /nfs/dbraw/zinc/49/28/25/573492825.db2.gz XCALEBOMHNGYJC-DTWKUNHWSA-N 0 0 137.226 2.726 10 30 AFEERN N#C[C@H]1CCc2ccc(Cl)cc2O1 259474882 573493165 /nfs/dbraw/zinc/49/31/65/573493165.db2.gz HKQAQXLRXMTYIY-SECBINFHSA-N 0 0 193.633 2.557 10 30 AFEERN C[C@H](C#N)NCC(C)(C)C(C)(C)C 258691225 573493190 /nfs/dbraw/zinc/49/31/90/573493190.db2.gz DBLCJJRPECAMTF-SECBINFHSA-N 0 0 182.311 2.560 10 30 AFEERN C[C@@H](C#N)C(=S)Nc1ccccc1 238408472 573493236 /nfs/dbraw/zinc/49/32/36/573493236.db2.gz RERSIEXTYFGXJH-QMMMGPOBSA-N 0 0 190.271 2.586 10 30 AFEERN C[C@H](CC=O)c1cccc(Cl)c1O 258040950 573493250 /nfs/dbraw/zinc/49/32/50/573493250.db2.gz GCNQMJANBOLMLF-SSDOTTSWSA-N 0 0 198.649 2.738 10 30 AFEERN CC[C@@H](C#N)CNc1ccccc1F 258693764 573494807 /nfs/dbraw/zinc/49/48/07/573494807.db2.gz QPPYHXLJRYFPNS-VIFPVBQESA-N 0 0 192.237 2.787 10 30 AFEERN C=C(CO)[C@@H](C)[C@H]1CC=C(C)CC1 238430398 573497199 /nfs/dbraw/zinc/49/71/99/573497199.db2.gz NMAGZEZTKQAXQF-NEPJUHHUSA-N 0 0 180.291 2.917 10 30 AFEERN C=C(C[C@H](C)O)c1cccs1 238424707 573496435 /nfs/dbraw/zinc/49/64/35/573496435.db2.gz JWDABERBGJXZTA-QMMMGPOBSA-N 0 0 168.261 2.532 10 30 AFEERN CC[C@H](C#N)CNc1cccc(C#N)c1 258693689 573496607 /nfs/dbraw/zinc/49/66/07/573496607.db2.gz QNZQMGDFSDFFHF-SNVBAGLBSA-N 0 0 199.257 2.520 10 30 AFEERN Cc1c(CC#N)cc(C)c2[nH]ccc12 259613184 573496723 /nfs/dbraw/zinc/49/67/23/573496723.db2.gz GEUIRNSUQHGYSF-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN C[C@H]1CCC[C@H](C#N)CC1 83427417 573496812 /nfs/dbraw/zinc/49/68/12/573496812.db2.gz XCALEBOMHNGYJC-IUCAKERBSA-N 0 0 137.226 2.726 10 30 AFEERN C[C@@H]1CCC[C@@H](C#N)CC1 83427418 573496950 /nfs/dbraw/zinc/49/69/50/573496950.db2.gz XCALEBOMHNGYJC-RKDXNWHRSA-N 0 0 137.226 2.726 10 30 AFEERN C#C[C@H](C)C/C=C/[C@H](C)[C@H](O)CC 214904126 573496998 /nfs/dbraw/zinc/49/69/98/573496998.db2.gz HMSPRUCOZLMXGE-CRCQRKMMSA-N 0 0 180.291 2.609 10 30 AFEERN C=C1CCCC[C@@H]1O[C@H](C)C[C@@H](C)O 308608065 573497303 /nfs/dbraw/zinc/49/73/03/573497303.db2.gz XFKBBNPDIQRRKK-UTUOFQBUSA-N 0 0 198.306 2.661 10 30 AFEERN OCCCCC#CC1CCCCC1 211855821 573497325 /nfs/dbraw/zinc/49/73/25/573497325.db2.gz JJLPIARTWMIZOO-UHFFFAOYSA-N 0 0 180.291 2.733 10 30 AFEERN C[C@H](C=O)[C@H]1CCC[C@@H](C)C1 238420454 573497346 /nfs/dbraw/zinc/49/73/46/573497346.db2.gz KVDZWDHVPGQUIM-BBBLOLIVSA-N 0 0 154.253 2.648 10 30 AFEERN C=C(F)C[C@@H](O)/C=C\c1ccccc1 308609476 573497443 /nfs/dbraw/zinc/49/74/43/573497443.db2.gz XSVAJNKJMOYFGF-KRZKBDHCSA-N 0 0 192.233 2.934 10 30 AFEERN C=C[C@@H](O)CCC#CC1CCCCC1 211856200 573497450 /nfs/dbraw/zinc/49/74/50/573497450.db2.gz FNOSDDDJUYTJCZ-CYBMUJFWSA-N 0 0 192.302 2.897 10 30 AFEERN C=CCC(C)(C)COC(=O)CCC 308394192 573497605 /nfs/dbraw/zinc/49/76/05/573497605.db2.gz CHGLEPTWWNJRIN-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN Cc1ccc(Cl)cc1NCS 258703250 573497629 /nfs/dbraw/zinc/49/76/29/573497629.db2.gz RNFHHTSCWQCXET-UHFFFAOYSA-N 0 0 187.695 2.948 10 30 AFEERN Oc1cccc2c(CS)coc12 258046874 573497694 /nfs/dbraw/zinc/49/76/94/573497694.db2.gz NZSDNBYBNUEFPS-UHFFFAOYSA-N 0 0 180.228 2.568 10 30 AFEERN O=CCCCC#CC1CCCCC1 211856022 573497795 /nfs/dbraw/zinc/49/77/95/573497795.db2.gz DTXGGCVKZATVQO-UHFFFAOYSA-N 0 0 178.275 2.939 10 30 AFEERN C=C(F)C[C@H](O)/C=C\c1ccccc1 308609477 573497997 /nfs/dbraw/zinc/49/79/97/573497997.db2.gz XSVAJNKJMOYFGF-QDZRJHCZSA-N 0 0 192.233 2.934 10 30 AFEERN CC1(C)CCC[C@H]([NH2+]CCC#N)CC1 83435290 573498079 /nfs/dbraw/zinc/49/80/79/573498079.db2.gz DOBMVHCEKXINRF-NSHDSACASA-N 0 0 194.322 2.849 10 30 AFEERN C=C1CCCC[C@@H]1O[C@H](C)C[C@H](C)O 308608064 573498479 /nfs/dbraw/zinc/49/84/79/573498479.db2.gz XFKBBNPDIQRRKK-TUAOUCFPSA-N 0 0 198.306 2.661 10 30 AFEERN Cc1ccc(N[C@H](C)C#N)c(C)c1C 258701800 573499048 /nfs/dbraw/zinc/49/90/48/573499048.db2.gz DROJXYKEFWFFRW-SECBINFHSA-N 0 0 188.274 2.936 10 30 AFEERN C=C[C@H](O)CCC#CC1CCCCC1 211856127 573498523 /nfs/dbraw/zinc/49/85/23/573498523.db2.gz FNOSDDDJUYTJCZ-ZDUSSCGKSA-N 0 0 192.302 2.897 10 30 AFEERN C=C1C=CC[C@@]2(C)CC(=O)CC[C@H]12 238418691 573498662 /nfs/dbraw/zinc/49/86/62/573498662.db2.gz PQXALZIBYPZUFF-NEPJUHHUSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@H]1CCC[C@@](C#N)(NC2CC2)CC1 83428321 573498736 /nfs/dbraw/zinc/49/87/36/573498736.db2.gz MLKPTZFKIATXOH-CMPLNLGQSA-N 0 0 192.306 2.601 10 30 AFEERN C=CC[C@H](C)[C@@H](O)CSC(C)C 714960343 573498788 /nfs/dbraw/zinc/49/87/88/573498788.db2.gz JYKFENNJDUTHHI-UWVGGRQHSA-N 0 0 188.336 2.701 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)CSC(C)C 714960345 573498902 /nfs/dbraw/zinc/49/89/02/573498902.db2.gz JYKFENNJDUTHHI-ZJUUUORDSA-N 0 0 188.336 2.701 10 30 AFEERN C[C@H]1CCC[C@]2(CC1)CC(=O)C=CO2 83434794 573498930 /nfs/dbraw/zinc/49/89/30/573498930.db2.gz FEZNRBSKGCTWHM-JQWIXIFHSA-N 0 0 194.274 2.829 10 30 AFEERN C/N=C(\SC)c1cccc(F)c1 258702646 573498951 /nfs/dbraw/zinc/49/89/51/573498951.db2.gz NFULBTAXRRJPOQ-LUAWRHEFSA-N 0 0 183.251 2.565 10 30 AFEERN CCCN[C@@]1(C#N)CCC[C@@H](C)CC1 83428315 573499068 /nfs/dbraw/zinc/49/90/68/573499068.db2.gz CIRMYKFXUZGDME-NEPJUHHUSA-N 0 0 194.322 2.849 10 30 AFEERN Cc1ccc(N[C@@H](C)C#N)c(C)c1C 258701803 573499076 /nfs/dbraw/zinc/49/90/76/573499076.db2.gz DROJXYKEFWFFRW-VIFPVBQESA-N 0 0 188.274 2.936 10 30 AFEERN C=CCN[C@]1(C#N)CCC[C@@H](C)CC1 83428384 573499120 /nfs/dbraw/zinc/49/91/20/573499120.db2.gz ARXMALLLWGZPIY-VXGBXAGGSA-N 0 0 192.306 2.625 10 30 AFEERN CC(C)N[C@@]1(C#N)CCC[C@@H](C)CC1 83428318 573499613 /nfs/dbraw/zinc/49/96/13/573499613.db2.gz VTCQRRPOCMVGFL-NEPJUHHUSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)[C@@H]1CCC1=NOC1CCC1 393499888 573499661 /nfs/dbraw/zinc/49/96/61/573499661.db2.gz ZGGJNVQISQIVHD-JTQLQIEISA-N 0 0 181.279 2.978 10 30 AFEERN CSc1cc(C)ccc1CC#N 258050476 573502694 /nfs/dbraw/zinc/50/26/94/573502694.db2.gz RGLHYCCGPZNTNK-UHFFFAOYSA-N 0 0 177.272 2.783 10 30 AFEERN C=C(C)[C@@H](C)C(=O)Nc1ccccc1 238418427 573502734 /nfs/dbraw/zinc/50/27/34/573502734.db2.gz DDPUOQFQCNUFCJ-SNVBAGLBSA-N 0 0 189.258 2.837 10 30 AFEERN CC(C)(C#N)C(=O)C1CCCCC1 258702583 573501355 /nfs/dbraw/zinc/50/13/55/573501355.db2.gz NFDLIXWFUWLPPW-UHFFFAOYSA-N 0 0 179.263 2.686 10 30 AFEERN CCCN[C@]1(C#N)CCC[C@H](C)CC1 83428312 573501377 /nfs/dbraw/zinc/50/13/77/573501377.db2.gz CIRMYKFXUZGDME-NWDGAFQWSA-N 0 0 194.322 2.849 10 30 AFEERN COc1cc(C#N)cc(Cl)c1C 258047807 573501516 /nfs/dbraw/zinc/50/15/16/573501516.db2.gz KJVDCBRFOQSTQM-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN C=C(F)C[C@H](O)/C=C/c1ccccc1 308609472 573501522 /nfs/dbraw/zinc/50/15/22/573501522.db2.gz XSVAJNKJMOYFGF-ABZNLYFFSA-N 0 0 192.233 2.934 10 30 AFEERN C=CC[C@@H](C)[C@H](O)CSC(C)C 714960340 573501580 /nfs/dbraw/zinc/50/15/80/573501580.db2.gz JYKFENNJDUTHHI-NXEZZACHSA-N 0 0 188.336 2.701 10 30 AFEERN C[C@@H]1CCC[C@@](C#N)(NC2CC2)CC1 83428320 573501605 /nfs/dbraw/zinc/50/16/05/573501605.db2.gz MLKPTZFKIATXOH-ZYHUDNBSSA-N 0 0 192.306 2.601 10 30 AFEERN CN[C@@]1(C#N)CCC[C@H](C(C)C)CC1 83437757 573503959 /nfs/dbraw/zinc/50/39/59/573503959.db2.gz SCKUCDAVCPVKBQ-RYUDHWBXSA-N 0 0 194.322 2.704 10 30 AFEERN CC(C)[C@H]1CCC1=NOC1CCC1 393499889 573501963 /nfs/dbraw/zinc/50/19/63/573501963.db2.gz ZGGJNVQISQIVHD-SNVBAGLBSA-N 0 0 181.279 2.978 10 30 AFEERN C=C([C@H](C)C(C)=O)C(C)(C)C 238418637 573501973 /nfs/dbraw/zinc/50/19/73/573501973.db2.gz RIMHWQQEMCXDJH-ZETCQYMHSA-N 0 0 154.253 2.814 10 30 AFEERN CCCN[C@@]1(C#N)CCC[C@H](C)CC1 83428313 573502143 /nfs/dbraw/zinc/50/21/43/573502143.db2.gz CIRMYKFXUZGDME-RYUDHWBXSA-N 0 0 194.322 2.849 10 30 AFEERN CC[C@@H](C#N)[C@H](N)c1ccccc1C 259479009 573502146 /nfs/dbraw/zinc/50/21/46/573502146.db2.gz PPCRJDBGTJSCFJ-JQWIXIFHSA-N 0 0 188.274 2.545 10 30 AFEERN C[C@@H]1CCC[C@H](CCCC#N)C1=O 238418436 573502227 /nfs/dbraw/zinc/50/22/27/573502227.db2.gz SHDZKKOODWVJCP-ZJUUUORDSA-N 0 0 179.263 2.686 10 30 AFEERN C=CC[C@@H]1CC[C@@H]2CC(=O)C[C@@]12C 238417295 573502510 /nfs/dbraw/zinc/50/25/10/573502510.db2.gz PJDSWLCOLZWRKQ-FOGDFJRCSA-N 0 0 178.275 2.958 10 30 AFEERN CC1=C[C@H](C)CC(C)(C)[C@H]1C=O 238421248 573502572 /nfs/dbraw/zinc/50/25/72/573502572.db2.gz VCKUWUSQGCAERM-WPRPVWTQSA-N 0 0 166.264 2.814 10 30 AFEERN CN[C@]1(C#N)CCC[C@@H](C(C)C)CC1 83437754 573504718 /nfs/dbraw/zinc/50/47/18/573504718.db2.gz SCKUCDAVCPVKBQ-VXGBXAGGSA-N 0 0 194.322 2.704 10 30 AFEERN CC[C@H](C#N)[C@@H](N)c1ccccc1C 259479017 573503729 /nfs/dbraw/zinc/50/37/29/573503729.db2.gz PPCRJDBGTJSCFJ-ZYHUDNBSSA-N 0 0 188.274 2.545 10 30 AFEERN CC[C@@H](C#N)[C@@H](N)c1ccccc1C 259479006 573503893 /nfs/dbraw/zinc/50/38/93/573503893.db2.gz PPCRJDBGTJSCFJ-CMPLNLGQSA-N 0 0 188.274 2.545 10 30 AFEERN CCC[C@H]1CCC[C@](C#N)(NC)CC1 83437753 573503931 /nfs/dbraw/zinc/50/39/31/573503931.db2.gz BSFMHMAZWYLCBC-RYUDHWBXSA-N 0 0 194.322 2.849 10 30 AFEERN Cc1ccccc1[C@@H](CC#N)N(C)C 259481963 573503965 /nfs/dbraw/zinc/50/39/65/573503965.db2.gz KQRNIPSRXKCZLK-GFCCVEGCSA-N 0 0 188.274 2.511 10 30 AFEERN CC[C@@H]1CCC[C@@]2(CC1)CO2 83436937 573503986 /nfs/dbraw/zinc/50/39/86/573503986.db2.gz PYHOIBGPHRPZFK-NXEZZACHSA-N 0 0 154.253 2.746 10 30 AFEERN CSc1cc(F)c(CC#N)cc1F 258049889 573504034 /nfs/dbraw/zinc/50/40/34/573504034.db2.gz GUVGNZODUPBLJQ-UHFFFAOYSA-N 0 0 199.225 2.753 10 30 AFEERN C=C1CC(C)(C)C[C@@H](C)[C@H]1C=O 238418839 573504042 /nfs/dbraw/zinc/50/40/42/573504042.db2.gz YXCZHBCRIVVTDF-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN CCC[C@@H]1CCC[C@](C#N)(NC)CC1 83437752 573504131 /nfs/dbraw/zinc/50/41/31/573504131.db2.gz BSFMHMAZWYLCBC-NEPJUHHUSA-N 0 0 194.322 2.849 10 30 AFEERN CC[C@H]1CCC[C@]2(CC1)CO2 83436940 573504187 /nfs/dbraw/zinc/50/41/87/573504187.db2.gz PYHOIBGPHRPZFK-UWVGGRQHSA-N 0 0 154.253 2.746 10 30 AFEERN CCN[C@@]1(C#N)CCC[C@@H](CC)CC1 83436062 573504210 /nfs/dbraw/zinc/50/42/10/573504210.db2.gz XBWIBCYBMDQZIR-NEPJUHHUSA-N 0 0 194.322 2.849 10 30 AFEERN Cc1ccccc1[C@H](CC#N)N(C)C 259481968 573504262 /nfs/dbraw/zinc/50/42/62/573504262.db2.gz KQRNIPSRXKCZLK-LBPRGKRZSA-N 0 0 188.274 2.511 10 30 AFEERN N#CCc1cc2ccoc2cc1F 258050542 573504274 /nfs/dbraw/zinc/50/42/74/573504274.db2.gz RHXRQCOSYMWHFW-UHFFFAOYSA-N 0 0 175.162 2.638 10 30 AFEERN CC(C)C[C@@H]1SCC[C@H]1C#N 259479471 573504275 /nfs/dbraw/zinc/50/42/75/573504275.db2.gz ADZJXKJWUCFIPC-IUCAKERBSA-N 0 0 169.293 2.678 10 30 AFEERN CN[C@@]1(C#N)CCC[C@@H](C(C)C)CC1 83437756 573504292 /nfs/dbraw/zinc/50/42/92/573504292.db2.gz SCKUCDAVCPVKBQ-NEPJUHHUSA-N 0 0 194.322 2.704 10 30 AFEERN CCC[C@H]1CCC[C@@](N)(C#N)CC1 83437745 573504430 /nfs/dbraw/zinc/50/44/30/573504430.db2.gz RVIPLSPBOWNEQD-QWRGUYRKSA-N 0 0 180.295 2.588 10 30 AFEERN C=C1CC(C)(C)C[C@@H](C)[C@H]1CO 238418850 573504610 /nfs/dbraw/zinc/50/46/10/573504610.db2.gz RNMUBAYBJMAFEO-ZJUUUORDSA-N 0 0 168.280 2.607 10 30 AFEERN CCN[C@]1(C#N)CCCC(C)(C)CC1 83436064 573504628 /nfs/dbraw/zinc/50/46/28/573504628.db2.gz KSHQWFFUWDSHGY-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN CCN[C@]1(C#N)CCC[C@H](CC)CC1 83436061 573506309 /nfs/dbraw/zinc/50/63/09/573506309.db2.gz XBWIBCYBMDQZIR-NWDGAFQWSA-N 0 0 194.322 2.849 10 30 AFEERN N#CCCc1cccc2scnc12 259479412 573505891 /nfs/dbraw/zinc/50/58/91/573505891.db2.gz BSJHDYWZPHYCCL-UHFFFAOYSA-N 0 0 188.255 2.752 10 30 AFEERN C=CC[C@@H](C)[C@H](O)C(C)(C)SC 714960698 573505910 /nfs/dbraw/zinc/50/59/10/573505910.db2.gz NUMMYZZDIIKEAU-BDAKNGLRSA-N 0 0 188.336 2.701 10 30 AFEERN CN(C)[C@]1(C#N)CCCC(C)(C)CC1 83436602 573505666 /nfs/dbraw/zinc/50/56/66/573505666.db2.gz ICYFKQDWGANXKC-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN CCC[C@H]1CCC[C@@](C#N)(NC)CC1 83437751 573505710 /nfs/dbraw/zinc/50/57/10/573505710.db2.gz BSFMHMAZWYLCBC-NWDGAFQWSA-N 0 0 194.322 2.849 10 30 AFEERN O=CCCc1ccccc1C(F)F 258050544 573505751 /nfs/dbraw/zinc/50/57/51/573505751.db2.gz KRBWDTYNFXQKGJ-UHFFFAOYSA-N 0 0 184.185 2.756 10 30 AFEERN CCc1cc([C@@H]2O[C@@H]2C)ccc1OC 258709687 573505769 /nfs/dbraw/zinc/50/57/69/573505769.db2.gz HRVCDMCDMASFME-PRHODGIISA-N 0 0 192.258 2.717 10 30 AFEERN Cc1cc(C)c(NCCS)c(C)c1 258717693 573506332 /nfs/dbraw/zinc/50/63/32/573506332.db2.gz SZVXYTPCOQWNTN-UHFFFAOYSA-N 0 0 195.331 2.954 10 30 AFEERN CCn1c(C)cc(/C=C/C(C)=O)c1C 86592077 573506283 /nfs/dbraw/zinc/50/62/83/573506283.db2.gz LVDLOQXHNBOZEF-VOTSOKGWSA-N 0 0 191.274 2.727 10 30 AFEERN CC[C@H](C#N)[C@H](N)c1ccccc1C 259479013 573507116 /nfs/dbraw/zinc/50/71/16/573507116.db2.gz PPCRJDBGTJSCFJ-PWSUYJOCSA-N 0 0 188.274 2.545 10 30 AFEERN CC1(C)CCC[C@@]2(CC1)CO2 83436935 573507145 /nfs/dbraw/zinc/50/71/45/573507145.db2.gz KNJVUBMHQLBVQX-SNVBAGLBSA-N 0 0 154.253 2.746 10 30 AFEERN C[C@@]12CC=CC=CC1=CC=CC2=O 238418811 573507155 /nfs/dbraw/zinc/50/71/55/573507155.db2.gz CSTBAYVDPWUNQK-GFCCVEGCSA-N 0 0 172.227 2.574 10 30 AFEERN CCc1cccc(CC)c1CCC=O 258050389 573507026 /nfs/dbraw/zinc/50/70/26/573507026.db2.gz KOAJXFCZIOKFRJ-UHFFFAOYSA-N 0 0 190.286 2.943 10 30 AFEERN Cc1ccc([C@H](C)CC=O)c(O)c1C 258050457 573507097 /nfs/dbraw/zinc/50/70/97/573507097.db2.gz KPJZGWYLISTXQD-SECBINFHSA-N 0 0 192.258 2.702 10 30 AFEERN CC(C)C[C@@H]1SCC[C@@H]1C#N 259479465 573507357 /nfs/dbraw/zinc/50/73/57/573507357.db2.gz ADZJXKJWUCFIPC-BDAKNGLRSA-N 0 0 169.293 2.678 10 30 AFEERN CC(CC1CC1)=NOCCC1CC1 308400486 573507374 /nfs/dbraw/zinc/50/73/74/573507374.db2.gz IBCDPYGMCLWNPG-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN CCc1cc([C@H]2O[C@H]2C)ccc1OC 258709694 573507457 /nfs/dbraw/zinc/50/74/57/573507457.db2.gz HRVCDMCDMASFME-UFBFGSQYSA-N 0 0 192.258 2.717 10 30 AFEERN N#C[C@H]1CCc2c1[nH]c1ccccc21 259479920 573507464 /nfs/dbraw/zinc/50/74/64/573507464.db2.gz BUCNDVHFILQOTO-MRVPVSSYSA-N 0 0 182.226 2.721 10 30 AFEERN Cc1cc(CC#N)c(C)c(C)c1C 258050528 573507479 /nfs/dbraw/zinc/50/74/79/573507479.db2.gz RHUXWXDKAALPHN-UHFFFAOYSA-N 0 0 173.259 2.986 10 30 AFEERN CC[C@H]1CCC[C@](C#N)(N(C)C)CC1 83436607 573507611 /nfs/dbraw/zinc/50/76/11/573507611.db2.gz QSGCSVJSDCFANV-RYUDHWBXSA-N 0 0 194.322 2.801 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)C(C)(C)SC 714960703 573507663 /nfs/dbraw/zinc/50/76/63/573507663.db2.gz NUMMYZZDIIKEAU-RKDXNWHRSA-N 0 0 188.336 2.701 10 30 AFEERN C=CC[C@H](C)[C@H](O)C(C)(C)SC 714960701 573507872 /nfs/dbraw/zinc/50/78/72/573507872.db2.gz NUMMYZZDIIKEAU-IUCAKERBSA-N 0 0 188.336 2.701 10 30 AFEERN CC[C@@H](C#N)Cc1cccs1 259483388 573510963 /nfs/dbraw/zinc/51/09/63/573510963.db2.gz SMKNRBNRMWLQCR-MRVPVSSYSA-N 0 0 165.261 2.840 10 30 AFEERN C=C[C@H](C)[C@H]1CCC[C@@H](C)C1=O 238420251 573510970 /nfs/dbraw/zinc/51/09/70/573510970.db2.gz YKLIIXCBBHCYQR-IVZWLZJFSA-N 0 0 166.264 2.814 10 30 AFEERN CCO[C@@H](CC=O)[C@@H]1CC=C(C)CC1 238256336 573511038 /nfs/dbraw/zinc/51/10/38/573511038.db2.gz TVWWMDONFGWGIV-NEPJUHHUSA-N 0 0 196.290 2.727 10 30 AFEERN N#Cc1ccc(C2CCC2)s1 259480697 573509536 /nfs/dbraw/zinc/50/95/36/573509536.db2.gz AFLIMHQTQTWZJP-UHFFFAOYSA-N 0 0 163.245 2.887 10 30 AFEERN CCn1cc(C#N)c2ccc(F)cc21 84870694 573509544 /nfs/dbraw/zinc/50/95/44/573509544.db2.gz DCHWMLNRIMWCTB-UHFFFAOYSA-N 0 0 188.205 2.672 10 30 AFEERN CC(C)[C@H]1CCC[C@]2(CC1)CO2 83438389 573509799 /nfs/dbraw/zinc/50/97/99/573509799.db2.gz FUIFHLPNQRCWBU-QWRGUYRKSA-N 0 0 168.280 2.992 10 30 AFEERN CCCC1CCN([C@H](C#N)CC)CC1 50893797 573509843 /nfs/dbraw/zinc/50/98/43/573509843.db2.gz DLKWDWPXNYHZSE-LBPRGKRZSA-N 0 0 194.322 2.801 10 30 AFEERN CSc1ccc([C@H](C)C=O)cc1 238421465 573509861 /nfs/dbraw/zinc/50/98/61/573509861.db2.gz KKSNRLAEVQCFQS-MRVPVSSYSA-N 0 0 180.272 2.711 10 30 AFEERN N#CCc1cnccc1C1CCCC1 259481696 573509935 /nfs/dbraw/zinc/50/99/35/573509935.db2.gz BZWCTYAQLLXNOC-UHFFFAOYSA-N 0 0 186.258 2.805 10 30 AFEERN C[C@@H](c1ccccc1)c1cc(C#N)on1 259482554 573509959 /nfs/dbraw/zinc/50/99/59/573509959.db2.gz NWKAZXWLPCQZIR-VIFPVBQESA-N 0 0 198.225 2.698 10 30 AFEERN C/C=C\[C@H](O)[C@@H]1O[C@H]1CCCCCC 308602421 573510061 /nfs/dbraw/zinc/51/00/61/573510061.db2.gz VERSOLYMIQJJBB-MSZQTBRDSA-N 0 0 198.306 2.661 10 30 AFEERN COCC1(CC(=O)C=C(C)C)CCC1 308602166 573510145 /nfs/dbraw/zinc/51/01/45/573510145.db2.gz DPUXAGAQQZIICF-UHFFFAOYSA-N 0 0 196.290 2.729 10 30 AFEERN C=C(C)C[C@@H]1CC[C@@H]2C[C@@H]2C1=O 224217224 573510171 /nfs/dbraw/zinc/51/01/71/573510171.db2.gz DGMJHBMEVDXQIQ-UTLUCORTSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)(C)[C@@H]1CCC[C@@](N)(C#N)CC1 83438634 573510447 /nfs/dbraw/zinc/51/04/47/573510447.db2.gz BDYACMBQZCTEAA-PWSUYJOCSA-N 0 0 194.322 2.834 10 30 AFEERN C[C@@H]1C[C@@H](C)[C@@H](C=O)C(C)(C)C1 238420270 573510454 /nfs/dbraw/zinc/51/04/54/573510454.db2.gz RFDLNKATLTVXAR-OPRDCNLKSA-N 0 0 168.280 2.894 10 30 AFEERN CCC[C@H](C#N)[C@@H](O)[C@@H](C)C(C)(C)C 308610060 573510465 /nfs/dbraw/zinc/51/04/65/573510465.db2.gz XXNACESGGXAXKM-MXWKQRLJSA-N 0 0 197.322 2.969 10 30 AFEERN CC(C)(C)[C@H]1CCC[C@@](N)(C#N)CC1 83438635 573510471 /nfs/dbraw/zinc/51/04/71/573510471.db2.gz BDYACMBQZCTEAA-JQWIXIFHSA-N 0 0 194.322 2.834 10 30 AFEERN C#C[C@H](O)/C=C\CCCCCC 214908411 573510559 /nfs/dbraw/zinc/51/05/59/573510559.db2.gz XSEMXLZWKDTMJS-JUDLJHIGSA-N 0 0 166.264 2.507 10 30 AFEERN C/C=C/[C@H](O)[C@@H]1O[C@@H]1CCCCCC 308602420 573510567 /nfs/dbraw/zinc/51/05/67/573510567.db2.gz VERSOLYMIQJJBB-JYWREFCWSA-N 0 0 198.306 2.661 10 30 AFEERN C/C=C\[C@H](O)[C@@H]1O[C@@H]1CCCCCC 308602424 573510630 /nfs/dbraw/zinc/51/06/30/573510630.db2.gz VERSOLYMIQJJBB-UVOPZIGPSA-N 0 0 198.306 2.661 10 30 AFEERN CC(C)[C@H]1CCC[C@@]2(CC1)CO2 83438387 573510728 /nfs/dbraw/zinc/51/07/28/573510728.db2.gz FUIFHLPNQRCWBU-WDEREUQCSA-N 0 0 168.280 2.992 10 30 AFEERN Cc1cccc2[nH]c(CC#N)c(C)c12 259482923 573510788 /nfs/dbraw/zinc/51/07/88/573510788.db2.gz CCEWCEIXNWBEKT-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN CC(C)[C@@H]1CCC[C@]2(CC1)CO2 83438388 573511898 /nfs/dbraw/zinc/51/18/98/573511898.db2.gz FUIFHLPNQRCWBU-MNOVXSKESA-N 0 0 168.280 2.992 10 30 AFEERN N#Cc1ccc(N[C@@H]2CC[C@H]3C[C@H]32)cc1 308891948 573510828 /nfs/dbraw/zinc/51/08/28/573510828.db2.gz YGCDOCJOFDHAQA-CYZMBNFOSA-N 0 0 198.269 2.769 10 30 AFEERN CCc1ccc(N(C)[C@H](C)C#N)cc1 258728334 573510851 /nfs/dbraw/zinc/51/08/51/573510851.db2.gz GTABEYXFMWFTRP-SNVBAGLBSA-N 0 0 188.274 2.597 10 30 AFEERN CCC(=NOCCC1CC1)C1CC1 308396632 573510861 /nfs/dbraw/zinc/51/08/61/573510861.db2.gz FCVQJJMWHHIHOU-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN CCCC1CCN([C@@H](C#N)CC)CC1 50893798 573510870 /nfs/dbraw/zinc/51/08/70/573510870.db2.gz DLKWDWPXNYHZSE-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN CCCC(CC)=NNC[C@H]1C[C@H]1C 308397193 573511104 /nfs/dbraw/zinc/51/11/04/573511104.db2.gz FBKLRXAQZQQTCD-NXEZZACHSA-N 0 0 182.311 2.798 10 30 AFEERN Cc1occ2c1[C@@H](C#N)C1(CC2)CC1 259481712 573511431 /nfs/dbraw/zinc/51/14/31/573511431.db2.gz BZYLXJMBHAXXIO-SNVBAGLBSA-N 0 0 187.242 2.922 10 30 AFEERN CCC[C@H](C#N)[C@H](O)[C@H](C)C(C)(C)C 308610059 573511758 /nfs/dbraw/zinc/51/17/58/573511758.db2.gz XXNACESGGXAXKM-HBNTYKKESA-N 0 0 197.322 2.969 10 30 AFEERN CCC[C@H](C#N)[C@H](O)[C@@H](C)C(C)(C)C 308610056 573511763 /nfs/dbraw/zinc/51/17/63/573511763.db2.gz XXNACESGGXAXKM-GMTAPVOTSA-N 0 0 197.322 2.969 10 30 AFEERN CC(C)[C@@H]1CCC[C@@]2(CC1)CO2 83438386 573511823 /nfs/dbraw/zinc/51/18/23/573511823.db2.gz FUIFHLPNQRCWBU-GHMZBOCLSA-N 0 0 168.280 2.992 10 30 AFEERN CC(C)(C#N)Nc1cc(F)ccc1F 258725466 573513179 /nfs/dbraw/zinc/51/31/79/573513179.db2.gz GQYGQYFJZYNMNM-UHFFFAOYSA-N 0 0 196.200 2.679 10 30 AFEERN CCc1c(C#N)cn2ccc(C)cc12 259482998 573513193 /nfs/dbraw/zinc/51/31/93/573513193.db2.gz CEDCJSYEGIZBSA-UHFFFAOYSA-N 0 0 184.242 2.682 10 30 AFEERN C#C[C@@H](O)/C=C\CCCCCC 214908368 573512892 /nfs/dbraw/zinc/51/28/92/573512892.db2.gz XSEMXLZWKDTMJS-DWOQACPDSA-N 0 0 166.264 2.507 10 30 AFEERN C=C1CCCC([C@H](C)O)CCC1 238422340 573512980 /nfs/dbraw/zinc/51/29/80/573512980.db2.gz VSKSKBNGUQQPBW-JTQLQIEISA-N 0 0 168.280 2.894 10 30 AFEERN CCCC(CC)=NNC[C@@H]1C[C@H]1C 308397196 573512986 /nfs/dbraw/zinc/51/29/86/573512986.db2.gz FBKLRXAQZQQTCD-ZJUUUORDSA-N 0 0 182.311 2.798 10 30 AFEERN N#Cc1ncc(C2CCCCC2)o1 259482360 573513021 /nfs/dbraw/zinc/51/30/21/573513021.db2.gz AKIZNEFEDKPWAE-UHFFFAOYSA-N 0 0 176.219 2.594 10 30 AFEERN CSc1cccc(C#N)c1Cl 238422794 573513087 /nfs/dbraw/zinc/51/30/87/573513087.db2.gz OYAWYIXFIYPKOT-UHFFFAOYSA-N 0 0 183.663 2.934 10 30 AFEERN C=C1C=C(C)CC(C)(C)[C@H]1[C@H](C)O 238422422 573513125 /nfs/dbraw/zinc/51/31/25/573513125.db2.gz VNPCAWDUTLTLRQ-WDEREUQCSA-N 0 0 180.291 2.916 10 30 AFEERN CN[C@@H](CC#N)c1ccc(Cl)cc1 259483418 573513431 /nfs/dbraw/zinc/51/34/31/573513431.db2.gz QULNRKWSYAJQTB-JTQLQIEISA-N 0 0 194.665 2.514 10 30 AFEERN C[C@H](c1ccccc1)c1cc(C#N)on1 259482550 573513554 /nfs/dbraw/zinc/51/35/54/573513554.db2.gz NWKAZXWLPCQZIR-SECBINFHSA-N 0 0 198.225 2.698 10 30 AFEERN CC(C)=CC1=C[C@H](C)C[C@H]1C=O 238422767 573514921 /nfs/dbraw/zinc/51/49/21/573514921.db2.gz VASFSHSYJIDJMO-ONGXEEELSA-N 0 0 164.248 2.734 10 30 AFEERN CC1=C(C)C(=O)[C@@H](C)[C@H](C)C1 238421988 573515158 /nfs/dbraw/zinc/51/51/58/573515158.db2.gz IHGUYADFLRRZLX-SVRRBLITSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC1([C@@H](C)O)CCCCC1 238423193 573515307 /nfs/dbraw/zinc/51/53/07/573515307.db2.gz NMZIDVFEIHJFIZ-SECBINFHSA-N 0 0 154.253 2.504 10 30 AFEERN C=C(C)[C@H](C)[C@H](O)C1CCCC1 238422447 573515332 /nfs/dbraw/zinc/51/53/32/573515332.db2.gz MJKDFFDFIDLPMK-ONGXEEELSA-N 0 0 168.280 2.750 10 30 AFEERN N#CCC[C@@H]1CCCSCC1 259613920 573515339 /nfs/dbraw/zinc/51/53/39/573515339.db2.gz HJZFPYSWJLDEAA-SECBINFHSA-N 0 0 169.293 2.823 10 30 AFEERN C=CC[C@@H](CO)[C@H](C)c1ccccc1 308605731 573517799 /nfs/dbraw/zinc/51/77/99/573517799.db2.gz WJCCOYAJNLZTJS-YPMHNXCESA-N 0 0 190.286 2.975 10 30 AFEERN CC(C)(C#N)NCC(C)(C)C(C)(C)C 258728573 573515571 /nfs/dbraw/zinc/51/55/71/573515571.db2.gz GXJUDLVUVOWVBT-UHFFFAOYSA-N 0 0 196.338 2.950 10 30 AFEERN C=C1[C@H]([C@H](C)O)C12CCCCC2 238422400 573515821 /nfs/dbraw/zinc/51/58/21/573515821.db2.gz DFYZLCCDRBVFFY-VHSXEESVSA-N 0 0 166.264 2.504 10 30 AFEERN CC(C)=CCC[C@]1(C)O[C@@H]1CCCO 308603029 573515911 /nfs/dbraw/zinc/51/59/11/573515911.db2.gz VMUJNTWYJVZHFX-NEPJUHHUSA-N 0 0 198.306 2.663 10 30 AFEERN CC1=C2CC[C@@H](C)[C@H]2CC(=O)C=C1 224224957 573515976 /nfs/dbraw/zinc/51/59/76/573515976.db2.gz UEBZYHYXOGXEFS-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1[C@]2(C)CCC(=O)[C@@]1(C)CC2 238422860 573516053 /nfs/dbraw/zinc/51/60/53/573516053.db2.gz VJHHKFHVPGKQQX-MNOVXSKESA-N 0 0 164.248 2.712 10 30 AFEERN CCc1cc2sc(C#N)cc2n1C 259486329 573516091 /nfs/dbraw/zinc/51/60/91/573516091.db2.gz RYHCMIOXOANEOR-UHFFFAOYSA-N 0 0 190.271 2.674 10 30 AFEERN CC(C)=CCC[C@@]1(C)O[C@H]1CCCO 308603030 573516099 /nfs/dbraw/zinc/51/60/99/573516099.db2.gz VMUJNTWYJVZHFX-NWDGAFQWSA-N 0 0 198.306 2.663 10 30 AFEERN C#CCSc1c[nH]c2ccccc12 224231984 573516225 /nfs/dbraw/zinc/51/62/25/573516225.db2.gz KSDUURBRPGFBCR-UHFFFAOYSA-N 0 0 187.267 2.893 10 30 AFEERN CC(C)C(C)(C)CNC(C)(C)C#N 258731394 573516273 /nfs/dbraw/zinc/51/62/73/573516273.db2.gz HCCFMTGGSQBSGJ-UHFFFAOYSA-N 0 0 182.311 2.560 10 30 AFEERN CC[C@H](C#N)CNc1ccccc1 258733967 573516670 /nfs/dbraw/zinc/51/66/70/573516670.db2.gz VNINKXINUQKNCU-SNVBAGLBSA-N 0 0 174.247 2.648 10 30 AFEERN Cc1ccc(C)c(N(C)[C@@H](C)C#N)c1 258733747 573516790 /nfs/dbraw/zinc/51/67/90/573516790.db2.gz HGDGZDAFFJHMLM-NSHDSACASA-N 0 0 188.274 2.652 10 30 AFEERN CCC[C@@](C)(S)CC 33606416 573517306 /nfs/dbraw/zinc/51/73/06/573517306.db2.gz AAKKPKDORDWLSG-ZETCQYMHSA-N 0 0 132.272 2.885 10 30 AFEERN CC[C@@H](C#N)CNc1ccccc1 258733964 573517311 /nfs/dbraw/zinc/51/73/11/573517311.db2.gz VNINKXINUQKNCU-JTQLQIEISA-N 0 0 174.247 2.648 10 30 AFEERN C=CC[C@H](CO)[C@H](C)c1ccccc1 308605726 573517501 /nfs/dbraw/zinc/51/75/01/573517501.db2.gz WJCCOYAJNLZTJS-DGCLKSJQSA-N 0 0 190.286 2.975 10 30 AFEERN Cc1nc(C#N)[nH]c1C1CCCCC1 258732857 573517659 /nfs/dbraw/zinc/51/76/59/573517659.db2.gz PMPURDULSYCVEC-UHFFFAOYSA-N 0 0 189.262 2.638 10 30 AFEERN C=CC(=C)CCCC(C)(C)OC=O 33606034 573517849 /nfs/dbraw/zinc/51/78/49/573517849.db2.gz ZIGSZAHSKNQFRB-UHFFFAOYSA-N 0 0 182.263 2.851 10 30 AFEERN C=C(C)[C@H](C)[C@@H](O)Cc1ccccc1 308603700 573517881 /nfs/dbraw/zinc/51/78/81/573517881.db2.gz VRTBJHRMMTVLLV-AAEUAGOBSA-N 0 0 190.286 2.802 10 30 AFEERN CCc1cc2scc(C)n2c1C#N 259486339 573518111 /nfs/dbraw/zinc/51/81/11/573518111.db2.gz RZCRPKPWUUYIRQ-UHFFFAOYSA-N 0 0 190.271 2.743 10 30 AFEERN Cc1ccc(C)c(N(C)[C@H](C)C#N)c1 258733745 573518423 /nfs/dbraw/zinc/51/84/23/573518423.db2.gz HGDGZDAFFJHMLM-LLVKDONJSA-N 0 0 188.274 2.652 10 30 AFEERN C=C(C[C@H](C)O)c1ccc(F)cc1 238424632 573520418 /nfs/dbraw/zinc/52/04/18/573520418.db2.gz TZFMKOHHFWMHPF-VIFPVBQESA-N 0 0 180.222 2.610 10 30 AFEERN C=CC[C@@H](CO)[C@@H](C)c1ccccc1 308605721 573520448 /nfs/dbraw/zinc/52/04/48/573520448.db2.gz WJCCOYAJNLZTJS-AAEUAGOBSA-N 0 0 190.286 2.975 10 30 AFEERN CC1=C2CC[C@H](C)[C@@H]2CC(=O)C=C1 224224912 573520174 /nfs/dbraw/zinc/52/01/74/573520174.db2.gz UEBZYHYXOGXEFS-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)=CCC[C@@]1(C)O[C@@H]1CCCO 308603032 573520177 /nfs/dbraw/zinc/52/01/77/573520177.db2.gz VMUJNTWYJVZHFX-VXGBXAGGSA-N 0 0 198.306 2.663 10 30 AFEERN CCCC(C)(C)CNC(C)(C)C#N 258731273 573520192 /nfs/dbraw/zinc/52/01/92/573520192.db2.gz HASLWQMBTJPKFO-UHFFFAOYSA-N 0 0 182.311 2.704 10 30 AFEERN Cc1cc2scc(C)n2c1CC#N 259484031 573520396 /nfs/dbraw/zinc/52/03/96/573520396.db2.gz RPZXFIYUYRNYKW-UHFFFAOYSA-N 0 0 190.271 2.684 10 30 AFEERN C=CC[C@@H]1C[C@@H](C)C(=O)C1(C)C 238423894 573520298 /nfs/dbraw/zinc/52/02/98/573520298.db2.gz OTNBEHZGWGSJHF-RKDXNWHRSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@H](S)C1(c2cccc(O)c2)CC1 258046603 573520319 /nfs/dbraw/zinc/52/03/19/573520319.db2.gz JSGHEQBYNBQRPN-QMMMGPOBSA-N 0 0 194.299 2.742 10 30 AFEERN CC[C@H](C)ON=Cc1scnc1C 308400660 573520360 /nfs/dbraw/zinc/52/03/60/573520360.db2.gz GWJBHHKOYKRYPU-ZETCQYMHSA-N 0 0 198.291 2.601 10 30 AFEERN C=C1CC[C@@H](C)C(C)(C)[C@H]1CCO 238432132 573520540 /nfs/dbraw/zinc/52/05/40/573520540.db2.gz CVFNDRRUYOTWAC-MNOVXSKESA-N 0 0 182.307 2.997 10 30 AFEERN C=C(C)[C@@H](C)[C@@H](O)Cc1ccccc1 308603704 573520562 /nfs/dbraw/zinc/52/05/62/573520562.db2.gz VRTBJHRMMTVLLV-YPMHNXCESA-N 0 0 190.286 2.802 10 30 AFEERN Cc1nc(C2CCC2)ccc1C#N 259486925 573520676 /nfs/dbraw/zinc/52/06/76/573520676.db2.gz AWJRWDXYMLZSFQ-UHFFFAOYSA-N 0 0 172.231 2.529 10 30 AFEERN C[C@@H]1CC=C(C(=O)C2=CCCO2)CC1 235613488 573520711 /nfs/dbraw/zinc/52/07/11/573520711.db2.gz GEAWKQYKPDDEDE-SECBINFHSA-N 0 0 192.258 2.606 10 30 AFEERN Cc1ccc(C)c(C(F)(F)C=O)c1 257827042 573520743 /nfs/dbraw/zinc/52/07/43/573520743.db2.gz HTPYLIJSSKBJAO-UHFFFAOYSA-N 0 0 184.185 2.594 10 30 AFEERN C=C(C[C@H](C)O)c1ccccc1C 238424656 573520755 /nfs/dbraw/zinc/52/07/55/573520755.db2.gz FTMHWFYQHXXHBZ-NSHDSACASA-N 0 0 176.259 2.779 10 30 AFEERN C=CC[C@](C)(CO)c1ccccc1 33607105 573520969 /nfs/dbraw/zinc/52/09/69/573520969.db2.gz STSNKLAYQBTGNG-GFCCVEGCSA-N 0 0 176.259 2.513 10 30 AFEERN CO[C@]1(C)CC[C@@H]2CCCC[C@@]21C=O 238423683 573521179 /nfs/dbraw/zinc/52/11/79/573521179.db2.gz GPGCDSZKECORDC-QJPTWQEYSA-N 0 0 196.290 2.561 10 30 AFEERN C[C@H](C=O)[C@H]1CCc2ccc(F)cc21 257826832 573523381 /nfs/dbraw/zinc/52/33/81/573523381.db2.gz HSCAPGTUIPTYFH-LDYMZIIASA-N 0 0 192.233 2.691 10 30 AFEERN C=C[C@](C)(CC=C(C)C)[C@@H](C)O 33608558 573523134 /nfs/dbraw/zinc/52/31/34/573523134.db2.gz VLWIAHOZUQCLJS-GHMZBOCLSA-N 0 0 168.280 2.916 10 30 AFEERN CC(C)CCNc1ccc(C#N)o1 306290090 573523210 /nfs/dbraw/zinc/52/32/10/573523210.db2.gz PGKXPJNNGKATSG-UHFFFAOYSA-N 0 0 178.235 2.609 10 30 AFEERN C[C@@H]1CCC[C@H]2C[C@@]23CC(=O)C=C13 238425479 573523315 /nfs/dbraw/zinc/52/33/15/573523315.db2.gz FDDAKEFMRZJPCO-VDDIYKPWSA-N 0 0 176.259 2.712 10 30 AFEERN Cc1ccc(N(C)CC#N)c(C)c1C 258744716 573523347 /nfs/dbraw/zinc/52/33/47/573523347.db2.gz IEFDJJADTCFWNS-UHFFFAOYSA-N 0 0 188.274 2.572 10 30 AFEERN CC(C)Oc1cccc([C@@H](C)C=O)c1 257829708 573525626 /nfs/dbraw/zinc/52/56/26/573525626.db2.gz IUDDOCHPRYJMTD-JTQLQIEISA-N 0 0 192.258 2.776 10 30 AFEERN CC[C@H](C)N[C@H](C#N)[C@@H](C)C(C)(C)C 308606730 573524535 /nfs/dbraw/zinc/52/45/35/573524535.db2.gz WTWMAGZRZJCQNO-HBNTYKKESA-N 0 0 196.338 2.949 10 30 AFEERN CC(C)Oc1cccc([C@H](C)C=O)c1 257829709 573524561 /nfs/dbraw/zinc/52/45/61/573524561.db2.gz IUDDOCHPRYJMTD-SNVBAGLBSA-N 0 0 192.258 2.776 10 30 AFEERN CN[C@H](S)c1coc2ccccc12 259486655 573524624 /nfs/dbraw/zinc/52/46/24/573524624.db2.gz RARAKQMODRZKFX-SNVBAGLBSA-N 0 0 193.271 2.581 10 30 AFEERN C=C(CO)[C@H](C)[C@@H]1CC=C(C)CC1 238424844 573524714 /nfs/dbraw/zinc/52/47/14/573524714.db2.gz NMAGZEZTKQAXQF-NWDGAFQWSA-N 0 0 180.291 2.917 10 30 AFEERN N#CCNc1csc2ccccc12 258741902 573524729 /nfs/dbraw/zinc/52/47/29/573524729.db2.gz HWMVDDSKTCGDGW-UHFFFAOYSA-N 0 0 188.255 2.837 10 30 AFEERN CC[C@@H](C#N)c1nc(C(C)C)c(C)[nH]1 258750165 573524791 /nfs/dbraw/zinc/52/47/91/573524791.db2.gz RELOCZUCIOCHJX-VIFPVBQESA-N 0 0 191.278 2.859 10 30 AFEERN C[C@H](C=O)[C@@H]1CCc2ccc(F)cc21 257826830 573524825 /nfs/dbraw/zinc/52/48/25/573524825.db2.gz HSCAPGTUIPTYFH-KCJUWKMLSA-N 0 0 192.233 2.691 10 30 AFEERN N#CC1CCC(Nc2cc[nH]c2)CC1 258743966 573524827 /nfs/dbraw/zinc/52/48/27/573524827.db2.gz IYZPBKKFASEVJY-UHFFFAOYSA-N 0 0 189.262 2.509 10 30 AFEERN CC[C@@H](C#N)[C@@H]1Cc2ccoc2C1 259486763 573525074 /nfs/dbraw/zinc/52/50/74/573525074.db2.gz AUWNQNHIMFEMKD-WCBMZHEXSA-N 0 0 175.231 2.544 10 30 AFEERN C=C(C)CCOC(=O)[C@@H](C)CC 33607749 573525187 /nfs/dbraw/zinc/52/51/87/573525187.db2.gz LTOLHPXUSLBUHD-VIFPVBQESA-N 0 0 170.252 2.542 10 30 AFEERN C=C[C@H](CCCCCC)OC=O 33608103 573525307 /nfs/dbraw/zinc/52/53/07/573525307.db2.gz BNHJRSKWTCEYEL-SNVBAGLBSA-N 0 0 170.252 2.684 10 30 AFEERN CC(C)(C#N)Nc1c[nH]c2ccccc12 258752674 573525366 /nfs/dbraw/zinc/52/53/66/573525366.db2.gz ITQAYAVBGPGHGP-UHFFFAOYSA-N 0 0 199.257 2.882 10 30 AFEERN C=C1CCCC([C@@H](C)O)CCC1 238424884 573525402 /nfs/dbraw/zinc/52/54/02/573525402.db2.gz VSKSKBNGUQQPBW-SNVBAGLBSA-N 0 0 168.280 2.894 10 30 AFEERN C=C1CCC[C@@]2(C)CC(=O)C=C12 238424927 573525471 /nfs/dbraw/zinc/52/54/71/573525471.db2.gz GOMWYNRAHRKHID-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN CC(C)Sc1ccc(CC=O)cc1 257826774 573525540 /nfs/dbraw/zinc/52/55/40/573525540.db2.gz HPPCVZFKPHWEOI-UHFFFAOYSA-N 0 0 194.299 2.929 10 30 AFEERN CC(C)(C)c1ccccc1NCC=O 258748462 573525681 /nfs/dbraw/zinc/52/56/81/573525681.db2.gz WUYGYDOIHHDGKT-UHFFFAOYSA-N 0 0 191.274 2.595 10 30 AFEERN C[C@@H]1CCC[C@@]12C=CC(=O)CC2 238424875 573525708 /nfs/dbraw/zinc/52/57/08/573525708.db2.gz HTUYEHHCKVMKJF-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1CCC[C@H](n2cc(C#N)cn2)C1 238425388 573526136 /nfs/dbraw/zinc/52/61/36/573526136.db2.gz VUPDTTRGRZFAKK-KOLCDFICSA-N 0 0 189.262 2.506 10 30 AFEERN C=C[C@@](C)(CC=C(C)C)[C@@H](C)O 33608562 573526055 /nfs/dbraw/zinc/52/60/55/573526055.db2.gz VLWIAHOZUQCLJS-MNOVXSKESA-N 0 0 168.280 2.916 10 30 AFEERN C=C1CC[C@]2(C)CCCC(=O)[C@H]12 238425639 573526141 /nfs/dbraw/zinc/52/61/41/573526141.db2.gz AWGFEXXXHQTJHY-QWRGUYRKSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H](C#N)OCc1ccc(Cl)cc1 83473801 573526262 /nfs/dbraw/zinc/52/62/62/573526262.db2.gz MQKXXGUKFLBBEE-QMMMGPOBSA-N 0 0 195.649 2.769 10 30 AFEERN Cc1ccc(NCS)cc1Cl 258748453 573526318 /nfs/dbraw/zinc/52/63/18/573526318.db2.gz WUPVUXNLAQZWRV-UHFFFAOYSA-N 0 0 187.695 2.948 10 30 AFEERN CCSC(C#N)(CC)CC 83484380 573526388 /nfs/dbraw/zinc/52/63/88/573526388.db2.gz SYUNWJVJYNSCKO-UHFFFAOYSA-N 0 0 157.282 2.822 10 30 AFEERN C=CCCCC(=O)[C@H](CC)OCC 131788117 573529451 /nfs/dbraw/zinc/52/94/51/573529451.db2.gz DKCZBGZTYWMJCQ-NSHDSACASA-N 0 0 184.279 2.727 10 30 AFEERN C#CC[C@@]1(C)CC=CC[C@@H](C)C1=O 238430183 573529913 /nfs/dbraw/zinc/52/99/13/573529913.db2.gz INZLEGPDMQQJCR-PWSUYJOCSA-N 0 0 176.259 2.571 10 30 AFEERN C[C@H](C#N)OCc1cccc(Cl)c1 83473791 573527394 /nfs/dbraw/zinc/52/73/94/573527394.db2.gz QCQGZZMVDPGEGW-MRVPVSSYSA-N 0 0 195.649 2.769 10 30 AFEERN CCSC1(C#N)CC(C)(C)C1 83484384 573527504 /nfs/dbraw/zinc/52/75/04/573527504.db2.gz KKHUGEUFDSDEIR-UHFFFAOYSA-N 0 0 169.293 2.822 10 30 AFEERN CSC1(C#N)CCCCC1 83484139 573527643 /nfs/dbraw/zinc/52/76/43/573527643.db2.gz WQQOUZQAXRRFLU-UHFFFAOYSA-N 0 0 155.266 2.576 10 30 AFEERN CC[C@H](C#N)Cc1ccc(C)o1 259490154 573527729 /nfs/dbraw/zinc/52/77/29/573527729.db2.gz SVQJBALLUDKHOK-VIFPVBQESA-N 0 0 163.220 2.680 10 30 AFEERN CCCC1CC(C#N)(SC)C1 83484141 573527789 /nfs/dbraw/zinc/52/77/89/573527789.db2.gz ZXRPSSNBANRXHP-UHFFFAOYSA-N 0 0 169.293 2.822 10 30 AFEERN C=C1CC[C@]2(C)CCCC(=O)[C@@H]12 238426394 573527790 /nfs/dbraw/zinc/52/77/90/573527790.db2.gz AWGFEXXXHQTJHY-MNOVXSKESA-N 0 0 164.248 2.712 10 30 AFEERN CSc1cccc(F)c1CCC=O 258058859 573528009 /nfs/dbraw/zinc/52/80/09/573528009.db2.gz HIMXVCAENZXGIT-UHFFFAOYSA-N 0 0 198.262 2.679 10 30 AFEERN O=CC[C@H]1CC12CCCCC2 211888228 573528071 /nfs/dbraw/zinc/52/80/71/573528071.db2.gz BJESPAPFRJVLNF-VIFPVBQESA-N 0 0 152.237 2.546 10 30 AFEERN C=C1C=C[C@@H]2C(=O)CCC[C@@]2(C)C1 238426431 573528075 /nfs/dbraw/zinc/52/80/75/573528075.db2.gz SGOUPOVBHMVGDD-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccc(N[C@H]2C[C@H]2C)c(C#N)c1 235303387 573528595 /nfs/dbraw/zinc/52/85/95/573528595.db2.gz URGZLQFFBUZPKO-SKDRFNHKSA-N 0 0 186.258 2.687 10 30 AFEERN C[C@@H](C#N)OCc1cccc(Cl)c1 83473789 573528343 /nfs/dbraw/zinc/52/83/43/573528343.db2.gz QCQGZZMVDPGEGW-QMMMGPOBSA-N 0 0 195.649 2.769 10 30 AFEERN N#Cc1cc(C2CCCC2)ns1 259488318 573530423 /nfs/dbraw/zinc/53/04/23/573530423.db2.gz SCCUVLCSDXEPKF-UHFFFAOYSA-N 0 0 178.260 2.672 10 30 AFEERN CCCSC1(C#N)CC2(CC2)C1 83486570 573528791 /nfs/dbraw/zinc/52/87/91/573528791.db2.gz KGUUCYQEEMSHRK-UHFFFAOYSA-N 0 0 181.304 2.966 10 30 AFEERN CCCc1cccc([C@H](C)C=O)c1 257827951 573528946 /nfs/dbraw/zinc/52/89/46/573528946.db2.gz IALSUVKJMDQOFU-SNVBAGLBSA-N 0 0 176.259 2.942 10 30 AFEERN CCSC1(C#N)CC(CC)C1 83484381 573529010 /nfs/dbraw/zinc/52/90/10/573529010.db2.gz RSTOQTXUYSMTPK-UHFFFAOYSA-N 0 0 169.293 2.822 10 30 AFEERN CC1=CC[C@@H](C)C2=CC(=O)C[C@H]2C1 238427717 573529121 /nfs/dbraw/zinc/52/91/21/573529121.db2.gz LDTLHMYOMNRSMM-NXEZZACHSA-N 0 0 176.259 2.878 10 30 AFEERN CCCc1cccc([C@@H](C)C=O)c1 257827950 573529155 /nfs/dbraw/zinc/52/91/55/573529155.db2.gz IALSUVKJMDQOFU-JTQLQIEISA-N 0 0 176.259 2.942 10 30 AFEERN Cc1cc2cc(CCS)ccc2[nH]1 259111641 573529167 /nfs/dbraw/zinc/52/91/67/573529167.db2.gz GJQMHXTXNJQMJT-UHFFFAOYSA-N 0 0 191.299 2.949 10 30 AFEERN C[C@H](c1ccccc1)[C@](C)(C#N)C=O 238429889 573530442 /nfs/dbraw/zinc/53/04/42/573530442.db2.gz RBALYDJJBVIPTI-ZYHUDNBSSA-N 0 0 187.242 2.519 10 30 AFEERN CSC1(C#N)CCCCCC1 83484162 573529245 /nfs/dbraw/zinc/52/92/45/573529245.db2.gz IPLBZIPFJJJYOE-UHFFFAOYSA-N 0 0 169.293 2.966 10 30 AFEERN CCc1cccc([C@H](C)CC=O)c1O 258059236 573529276 /nfs/dbraw/zinc/52/92/76/573529276.db2.gz LFWDSIAZCXSXHK-SECBINFHSA-N 0 0 192.258 2.647 10 30 AFEERN CCSC1(C#N)CC2(CC2)C1 83484386 573529315 /nfs/dbraw/zinc/52/93/15/573529315.db2.gz MGFYWAUCSODNBV-UHFFFAOYSA-N 0 0 167.277 2.576 10 30 AFEERN CCc1cccc([C@@H](C)CC=O)c1O 258059239 573529502 /nfs/dbraw/zinc/52/95/02/573529502.db2.gz LFWDSIAZCXSXHK-VIFPVBQESA-N 0 0 192.258 2.647 10 30 AFEERN C=C(C)CCCCC[C@@H](C)O 238430393 573529656 /nfs/dbraw/zinc/52/96/56/573529656.db2.gz XUOBBDPOUQKGIX-SNVBAGLBSA-N 0 0 156.269 2.894 10 30 AFEERN C[C@H](c1ccccc1)[C@@](C)(C#N)C=O 238429985 573529738 /nfs/dbraw/zinc/52/97/38/573529738.db2.gz RBALYDJJBVIPTI-PWSUYJOCSA-N 0 0 187.242 2.519 10 30 AFEERN CCSC1(C#N)CCCCC1 83484369 573529784 /nfs/dbraw/zinc/52/97/84/573529784.db2.gz NDPHZWYHZHAVTN-UHFFFAOYSA-N 0 0 169.293 2.966 10 30 AFEERN Cc1cccc(C)c1CCCC=O 126402727 573529814 /nfs/dbraw/zinc/52/98/14/573529814.db2.gz XFERPFYNNYARAQ-UHFFFAOYSA-N 0 0 176.259 2.825 10 30 AFEERN C[C@@H](O)CCCC#Cc1ccccc1 238429945 573530115 /nfs/dbraw/zinc/53/01/15/573530115.db2.gz IIVNMXOYVNFUIE-GFCCVEGCSA-N 0 0 188.270 2.589 10 30 AFEERN CSC1(C#N)CC(C(C)C)C1 83484143 573530148 /nfs/dbraw/zinc/53/01/48/573530148.db2.gz OVNLEIKZGIPRRN-UHFFFAOYSA-N 0 0 169.293 2.678 10 30 AFEERN CC[C@@H](C#N)Cc1ccc(C)o1 259490150 573530758 /nfs/dbraw/zinc/53/07/58/573530758.db2.gz SVQJBALLUDKHOK-SECBINFHSA-N 0 0 163.220 2.680 10 30 AFEERN CCCSC1(C#N)CCCC1 83486572 573530772 /nfs/dbraw/zinc/53/07/72/573530772.db2.gz IZHTZRKQWFVZSB-UHFFFAOYSA-N 0 0 169.293 2.966 10 30 AFEERN CCSC1(C#N)CC2(CCC2)C1 83484382 573530819 /nfs/dbraw/zinc/53/08/19/573530819.db2.gz WORYIRWVGAHBNR-UHFFFAOYSA-N 0 0 181.304 2.966 10 30 AFEERN C=C(CC)[C@H](C)[C@H](O)CCC 238256777 573531227 /nfs/dbraw/zinc/53/12/27/573531227.db2.gz XEPMLSYGEXMJHR-VHSXEESVSA-N 0 0 156.269 2.750 10 30 AFEERN CSC1(C#N)CC2(CCCC2)C1 83484140 573530915 /nfs/dbraw/zinc/53/09/15/573530915.db2.gz JSAKDGHZGVJRGY-UHFFFAOYSA-N 0 0 181.304 2.966 10 30 AFEERN CSC1(C#N)CC2(CCC2)C1 83484155 573530963 /nfs/dbraw/zinc/53/09/63/573530963.db2.gz HINHQWIALHBQLB-UHFFFAOYSA-N 0 0 167.277 2.576 10 30 AFEERN CCc1cc(Cl)cc(C#N)c1OC 258059220 573531882 /nfs/dbraw/zinc/53/18/82/573531882.db2.gz LFHFIRKFIFFGFM-UHFFFAOYSA-N 0 0 195.649 2.783 10 30 AFEERN CC[C@H](C)SC(C)(C)C#N 83498090 573532806 /nfs/dbraw/zinc/53/28/06/573532806.db2.gz MBHXQEYTJRJEQG-ZETCQYMHSA-N 0 0 157.282 2.820 10 30 AFEERN Fc1cccc2[nH]cc(CS)c12 258759157 573532832 /nfs/dbraw/zinc/53/28/32/573532832.db2.gz PHISXKLTKCOCLU-UHFFFAOYSA-N 0 0 181.235 2.737 10 30 AFEERN CC(=O)c1c(C)[nH]c2cc(C#N)ccc12 257828766 573535257 /nfs/dbraw/zinc/53/52/57/573535257.db2.gz GPLKQQKJGTZQNT-UHFFFAOYSA-N 0 0 198.225 2.551 10 30 AFEERN C#CC[C@]1(C)CC=CC[C@@H](C)C1=O 238429705 573532973 /nfs/dbraw/zinc/53/29/73/573532973.db2.gz INZLEGPDMQQJCR-ZYHUDNBSSA-N 0 0 176.259 2.571 10 30 AFEERN CC(C)=CC(=O)CCC(F)(F)F 126418823 573532996 /nfs/dbraw/zinc/53/29/96/573532996.db2.gz SNKWOYFPOOYBEG-UHFFFAOYSA-N 0 0 180.169 2.864 10 30 AFEERN C[C@@H](C#N)N1CC[C@@H](CC(C)(C)C)C1 306286192 573533024 /nfs/dbraw/zinc/53/30/24/573533024.db2.gz DHQKCJUHHKGRJE-QWRGUYRKSA-N 0 0 194.322 2.657 10 30 AFEERN Cc1ccc(N[C@H](C)C/C=N/O)cc1 238429243 573533111 /nfs/dbraw/zinc/53/31/11/573533111.db2.gz WVWHBDQBKVAFMC-ZDIKFAODSA-N 0 0 192.262 2.646 10 30 AFEERN CC[C@@H](C)SC1(C#N)CCOCC1 83498101 573533217 /nfs/dbraw/zinc/53/32/17/573533217.db2.gz MUMPJHWOZUBLBW-SECBINFHSA-N 0 0 199.319 2.591 10 30 AFEERN CC(C)CSC1(C#N)CCC1 83491228 573533290 /nfs/dbraw/zinc/53/32/90/573533290.db2.gz BZAKOJIVHTYVGG-UHFFFAOYSA-N 0 0 169.293 2.822 10 30 AFEERN Cc1cc(C)c(F)c(CCC=O)c1 258054491 573533304 /nfs/dbraw/zinc/53/33/04/573533304.db2.gz RVFWJJCKHXRBHC-UHFFFAOYSA-N 0 0 180.222 2.574 10 30 AFEERN CC[C@H](C)SC1(C#N)CCOCC1 83498102 573533406 /nfs/dbraw/zinc/53/34/06/573533406.db2.gz MUMPJHWOZUBLBW-VIFPVBQESA-N 0 0 199.319 2.591 10 30 AFEERN CC(C)(C)SC1(C#N)CC1 83490011 573533459 /nfs/dbraw/zinc/53/34/59/573533459.db2.gz ZHYRGKQTTHLTAP-UHFFFAOYSA-N 0 0 155.266 2.574 10 30 AFEERN C=C1C[C@H]2CCCC[C@@]2(C)C1=O 238429163 573533485 /nfs/dbraw/zinc/53/34/85/573533485.db2.gz RLLZQCGBBFVKOM-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=CCCC(=O)[C@H](CCC)OCC 131808753 573533650 /nfs/dbraw/zinc/53/36/50/573533650.db2.gz NLVUQCBAASXZBS-NSHDSACASA-N 0 0 184.279 2.727 10 30 AFEERN CC1CC(C#N)(SC(C)C)C1 83488314 573533690 /nfs/dbraw/zinc/53/36/90/573533690.db2.gz LNMLRSDPVWNNPY-UHFFFAOYSA-N 0 0 169.293 2.820 10 30 AFEERN C[C@@]12CCCC[C@@H]1CC=CC2=O 238429437 573533740 /nfs/dbraw/zinc/53/37/40/573533740.db2.gz GDWQLIUHRRPPDG-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)(C#N)SC1CCCC1 83500330 573533750 /nfs/dbraw/zinc/53/37/50/573533750.db2.gz XUUJQEYKBCYHJW-UHFFFAOYSA-N 0 0 169.293 2.964 10 30 AFEERN CC(C)(C#N)NCCC1CCCCC1 258757794 573533809 /nfs/dbraw/zinc/53/38/09/573533809.db2.gz JHZATLMGJMLQEO-UHFFFAOYSA-N 0 0 194.322 2.849 10 30 AFEERN C[C@H]1CCCC[C@]1(C=O)CCC#N 238429587 573533826 /nfs/dbraw/zinc/53/38/26/573533826.db2.gz GLLVXUMJINXALJ-WDEREUQCSA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)(C)SC1(C#N)CCC1 83490004 573533900 /nfs/dbraw/zinc/53/39/00/573533900.db2.gz ZSCVKDWGVSHJNS-UHFFFAOYSA-N 0 0 169.293 2.964 10 30 AFEERN C=C(CC)CC(=O)[C@@H](CC)OCC 131780851 573534131 /nfs/dbraw/zinc/53/41/31/573534131.db2.gz NJXDWMJRHCKMEL-LLVKDONJSA-N 0 0 184.279 2.727 10 30 AFEERN C[C@@H]1C/C=C/CC[C@@H](C=O)C1 238429233 573534041 /nfs/dbraw/zinc/53/40/41/573534041.db2.gz ULVVTXLXMXIUPG-HLKOZVMDSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H](C#N)N1CC[C@@H](CC(C)(C)C)C1 306286190 573534273 /nfs/dbraw/zinc/53/42/73/573534273.db2.gz DHQKCJUHHKGRJE-MNOVXSKESA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)SC1(C#N)CCCC1 83488328 573534447 /nfs/dbraw/zinc/53/44/47/573534447.db2.gz NCJDEXHMCRADLL-UHFFFAOYSA-N 0 0 169.293 2.964 10 30 AFEERN CC[C@@H](C)SC1(C#N)CC1 83498113 573534499 /nfs/dbraw/zinc/53/44/99/573534499.db2.gz BKUIOHDJEIYURA-SSDOTTSWSA-N 0 0 155.266 2.574 10 30 AFEERN CC(C)(C)SC(C)(C)C#N 83489999 573534527 /nfs/dbraw/zinc/53/45/27/573534527.db2.gz XLIRUEPKOCTBSQ-UHFFFAOYSA-N 0 0 157.282 2.820 10 30 AFEERN CC(C)CSC(C)(C)C#N 83491223 573534635 /nfs/dbraw/zinc/53/46/35/573534635.db2.gz GDHDHOAPDURYBR-UHFFFAOYSA-N 0 0 157.282 2.678 10 30 AFEERN CC[C@H](C)SC1(C#N)CC1 83498114 573534658 /nfs/dbraw/zinc/53/46/58/573534658.db2.gz BKUIOHDJEIYURA-ZETCQYMHSA-N 0 0 155.266 2.574 10 30 AFEERN N#Cc1oncc1C1CCCCC1 259492021 573534825 /nfs/dbraw/zinc/53/48/25/573534825.db2.gz SPWZEAOWYRCRAK-UHFFFAOYSA-N 0 0 176.219 2.594 10 30 AFEERN N#CCc1cc2c(cc1F)CCCC2 258053782 573534940 /nfs/dbraw/zinc/53/49/40/573534940.db2.gz KXCWCDSHBWEGOC-UHFFFAOYSA-N 0 0 189.233 2.771 10 30 AFEERN C[C@@H]1CC=C[C@@H]2C[C@@H](C=O)C[C@@]21C 238430673 573536127 /nfs/dbraw/zinc/53/61/27/573536127.db2.gz WKORHWOINXJUMA-DDHJBXDOSA-N 0 0 178.275 2.814 10 30 AFEERN CC(C)(C)SC1(C#N)CCOCC1 83490005 573535067 /nfs/dbraw/zinc/53/50/67/573535067.db2.gz IVCGMBIXJDNIIL-UHFFFAOYSA-N 0 0 199.319 2.591 10 30 AFEERN Cc1ccc(-c2cc(C#N)on2)s1 259492007 573535094 /nfs/dbraw/zinc/53/50/94/573535094.db2.gz OWGSRHUXRVDYQI-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN CC[C@@H](C)SC(C)(C)C#N 83498089 573535144 /nfs/dbraw/zinc/53/51/44/573535144.db2.gz MBHXQEYTJRJEQG-SSDOTTSWSA-N 0 0 157.282 2.820 10 30 AFEERN CC1(C)O[C@@H]1c1ccccc1F 259494406 573535894 /nfs/dbraw/zinc/53/58/94/573535894.db2.gz ZFCGPMRILZVQFM-SECBINFHSA-N 0 0 166.195 2.676 10 30 AFEERN C=C(C)[C@H]1CC[C@H](C)[C@@H]1CC=O 238433876 573535943 /nfs/dbraw/zinc/53/59/43/573535943.db2.gz GQKDBCCSCYPPGQ-AXFHLTTASA-N 0 0 166.264 2.814 10 30 AFEERN C[C@H](C#N)N1CC[C@H](CC(C)(C)C)C1 306286188 573536021 /nfs/dbraw/zinc/53/60/21/573536021.db2.gz DHQKCJUHHKGRJE-GHMZBOCLSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@@H]1CC=C[C@](C)(CC=O)C1 238431289 573538844 /nfs/dbraw/zinc/53/88/44/573538844.db2.gz PFYIQULYHQALTG-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@H]1CCCC[C@]12C=CC(=O)C2 238430481 573538849 /nfs/dbraw/zinc/53/88/49/573538849.db2.gz YCGDKIKORXFABT-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN CCC/C=C/CC(=NO)[C@@H](O)CCC 308616342 573538466 /nfs/dbraw/zinc/53/84/66/573538466.db2.gz ANRBUZFNKDJONX-IZWJCWFKSA-N 0 0 199.294 2.724 10 30 AFEERN CC(C)(F)Cc1ccccc1C#N 258056696 573538486 /nfs/dbraw/zinc/53/84/86/573538486.db2.gz SDFRBMCOJUINNI-UHFFFAOYSA-N 0 0 177.222 2.849 10 30 AFEERN C#CCCCC(=O)[C@@H](CCC)OCC 131845560 573539983 /nfs/dbraw/zinc/53/99/83/573539983.db2.gz IRNNVUDQDNGVIR-GFCCVEGCSA-N 0 0 196.290 2.564 10 30 AFEERN C=CC[C@@H]1CC(=O)[C@H](C)C1(C)C 238434215 573538593 /nfs/dbraw/zinc/53/85/93/573538593.db2.gz XCNYPLOTHNRSPA-DTWKUNHWSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@@H](C)C#C[C@H](O)c1ccccc1 238434190 573538648 /nfs/dbraw/zinc/53/86/48/573538648.db2.gz GYGRQCZPOQOMEO-YPMHNXCESA-N 0 0 186.254 2.546 10 30 AFEERN C=C[C@@H]1C(=O)[C@@H](C)CC[C@@H]1C(=C)C 238433766 573538895 /nfs/dbraw/zinc/53/88/95/573538895.db2.gz XMWKIUMXXZSZQJ-GARJFASQSA-N 0 0 178.275 2.980 10 30 AFEERN C=C[C@@H](C)[C@@H](O)[C@H](C)c1ccccc1 308618055 573538928 /nfs/dbraw/zinc/53/89/28/573538928.db2.gz BSJRSXADIKBHSG-NQBHXWOUSA-N 0 0 190.286 2.973 10 30 AFEERN Cc1cc[nH]c1C=NNc1ccccc1 308615919 573538946 /nfs/dbraw/zinc/53/89/46/573538946.db2.gz YXOJDSXZOFQTTQ-NTEUORMPSA-N 0 0 199.257 2.769 10 30 AFEERN N#CCCc1ccc2cc[nH]c2c1F 259493771 573539013 /nfs/dbraw/zinc/53/90/13/573539013.db2.gz PBXXSLGGHCMWLC-UHFFFAOYSA-N 0 0 188.205 2.763 10 30 AFEERN CCC[C@@H](OCC)C(=O)C=C(C)C 131824480 573539252 /nfs/dbraw/zinc/53/92/52/573539252.db2.gz OLULVIWKAPGVJG-LLVKDONJSA-N 0 0 184.279 2.727 10 30 AFEERN C=C[C@H](C)[C@@H](O)[C@H](C)c1ccccc1 308618050 573539354 /nfs/dbraw/zinc/53/93/54/573539354.db2.gz BSJRSXADIKBHSG-DMDPSCGWSA-N 0 0 190.286 2.973 10 30 AFEERN C=C1C[C@]2(C)CC(=O)[C@H](C)[C@@]2(C)C1 238434357 573539455 /nfs/dbraw/zinc/53/94/55/573539455.db2.gz DTVIEYZETJCQKS-MVWJERBFSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@@H](C)C(=O)Nc1ccc(C)cc1 238434377 573539493 /nfs/dbraw/zinc/53/94/93/573539493.db2.gz GPALGOIVWYMWPS-SNVBAGLBSA-N 0 0 189.258 2.756 10 30 AFEERN C=CC(C)(C)[C@H]1C(=O)CC[C@H]1C 238434719 573539553 /nfs/dbraw/zinc/53/95/53/573539553.db2.gz PEWCXWIDDNRZQT-PSASIEDQSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1CCC[C@@]12C(=O)CC[C@H]2C 238435200 573539599 /nfs/dbraw/zinc/53/95/99/573539599.db2.gz WYFZUYXTGALHMM-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)/C=C(/OCC)[C@H](O)C(C)(C)C 308617940 573539669 /nfs/dbraw/zinc/53/96/69/573539669.db2.gz BNBUWCVCCURRGZ-UQSGXBNBSA-N 0 0 198.306 2.890 10 30 AFEERN O=C1C=C(Cc2ccsc2)CCC1 83534783 573539840 /nfs/dbraw/zinc/53/98/40/573539840.db2.gz YUGQHPIDVNEOOJ-UHFFFAOYSA-N 0 0 192.283 2.970 10 30 AFEERN O=CC[C@H](F)c1cccc(Cl)c1 257829423 573540770 /nfs/dbraw/zinc/54/07/70/573540770.db2.gz IVTAEEOMFFESNW-VIFPVBQESA-N 0 0 186.613 2.940 10 30 AFEERN CC[C@@H](C#N)CNc1cccc(C)c1 258764280 573540125 /nfs/dbraw/zinc/54/01/25/573540125.db2.gz YCTIPXOWAIGSMR-NSHDSACASA-N 0 0 188.274 2.957 10 30 AFEERN O=CC[C@@H](CF)C1CCCCC1 257829049 573540187 /nfs/dbraw/zinc/54/01/87/573540187.db2.gz IQOQFBDTGTZECZ-JTQLQIEISA-N 0 0 172.243 2.741 10 30 AFEERN N#CC1(c2cc3cc(O)ccc3o2)CC1 259499763 573540369 /nfs/dbraw/zinc/54/03/69/573540369.db2.gz ANZFXZJLWRXBKV-UHFFFAOYSA-N 0 0 199.209 2.694 10 30 AFEERN Cc1sc2c(N)c(C#N)oc2c1C 259500176 573540425 /nfs/dbraw/zinc/54/04/25/573540425.db2.gz PZIBNOAEJJTNAU-UHFFFAOYSA-N 0 0 192.243 2.565 10 30 AFEERN Cc1cc([C@H]2OC2(C)C)ccc1F 259500637 573540431 /nfs/dbraw/zinc/54/04/31/573540431.db2.gz ZQLCMCBIDZBMCS-SNVBAGLBSA-N 0 0 180.222 2.984 10 30 AFEERN CC(C)C[C@H](C)[C@H](C)C#N 205471458 573540516 /nfs/dbraw/zinc/54/05/16/573540516.db2.gz LAKBBWSCJMUELM-DTWKUNHWSA-N 0 0 139.242 2.828 10 30 AFEERN C=CCCC/C=C\CO[C@H](C)[C@@H](C)O 308618162 573541472 /nfs/dbraw/zinc/54/14/72/573541472.db2.gz CBNACVVRYSXDQX-DSWQZHNZSA-N 0 0 198.306 2.685 10 30 AFEERN O=C1C=C(CC[C@@H]2CCCO2)CCC1 83534825 573541079 /nfs/dbraw/zinc/54/10/79/573541079.db2.gz LQOCSYFRLBUQQW-LBPRGKRZSA-N 0 0 194.274 2.625 10 30 AFEERN O=C1C=C(CC[C@H]2CCCO2)CCC1 83534824 573541136 /nfs/dbraw/zinc/54/11/36/573541136.db2.gz LQOCSYFRLBUQQW-GFCCVEGCSA-N 0 0 194.274 2.625 10 30 AFEERN CCOC1(CC=O)CCCCCC1 257829067 573541293 /nfs/dbraw/zinc/54/12/93/573541293.db2.gz IRSLUDQUFUGMFW-UHFFFAOYSA-N 0 0 184.279 2.705 10 30 AFEERN O=CC[C@H](CF)C1CCCCC1 257829050 573541300 /nfs/dbraw/zinc/54/13/00/573541300.db2.gz IQOQFBDTGTZECZ-SNVBAGLBSA-N 0 0 172.243 2.741 10 30 AFEERN CCC/C=C\CC(=NO)[C@@H](O)CCC 308616344 573541444 /nfs/dbraw/zinc/54/14/44/573541444.db2.gz ANRBUZFNKDJONX-PAMOCXQSSA-N 0 0 199.294 2.724 10 30 AFEERN C=CC(C)(C)[C@@H]1C(=O)CC[C@H]1C 238435492 573541402 /nfs/dbraw/zinc/54/14/02/573541402.db2.gz PEWCXWIDDNRZQT-SCZZXKLOSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@@H](C)[C@@H](C=O)C(C)(C)C 238434918 573541416 /nfs/dbraw/zinc/54/14/16/573541416.db2.gz GOCVXHIZXKMJDZ-RKDXNWHRSA-N 0 0 154.253 2.670 10 30 AFEERN C=C[C@@H](C)/C(C)=C/Cl 238434598 573541814 /nfs/dbraw/zinc/54/18/14/573541814.db2.gz BZGALMSHTUJIKY-LUFONEFESA-N 0 0 130.618 2.951 10 30 AFEERN C=C(C)CC[C@H]1C(=O)CC[C@H]1C 238434808 573543356 /nfs/dbraw/zinc/54/33/56/573543356.db2.gz IIWBDYVMONZJFP-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C 238435338 573543254 /nfs/dbraw/zinc/54/32/54/573543254.db2.gz FVNDVVFSTDHOBQ-YWVKMMECSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1cc(C)c(NCS)c(C)c1 258764116 573542861 /nfs/dbraw/zinc/54/28/61/573542861.db2.gz YAZWULXMKMQJJF-UHFFFAOYSA-N 0 0 181.304 2.911 10 30 AFEERN C=CC[C@H]1CC(=O)[C@H](C)C1(C)C 238434477 573543040 /nfs/dbraw/zinc/54/30/40/573543040.db2.gz XCNYPLOTHNRSPA-IUCAKERBSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@@]1(c2cccc(C)c2)C[C@H]1C=O 257824835 573543098 /nfs/dbraw/zinc/54/30/98/573543098.db2.gz GZZMOMZTRRNXEX-STQMWFEESA-N 0 0 188.270 2.862 10 30 AFEERN Cc1ccsc1[C@@H]1O[C@H]1C 259500549 573543128 /nfs/dbraw/zinc/54/31/28/573543128.db2.gz ZPWIMYYUDMFHTJ-NKWVEPMBSA-N 0 0 154.234 2.516 10 30 AFEERN C=C(C)[C@@H](C)[C@H](O)C1CCCC1 238434580 573543182 /nfs/dbraw/zinc/54/31/82/573543182.db2.gz MJKDFFDFIDLPMK-KOLCDFICSA-N 0 0 168.280 2.750 10 30 AFEERN CCCc1ccccc1[C@H](F)C=O 257824467 573543378 /nfs/dbraw/zinc/54/33/78/573543378.db2.gz GVLSLJVYGNBRNT-LLVKDONJSA-N 0 0 180.222 2.849 10 30 AFEERN Cc1cccc2cc(CCC#N)n(C)c12 259501082 573543414 /nfs/dbraw/zinc/54/34/14/573543414.db2.gz AROKSAAXQDNHCQ-UHFFFAOYSA-N 0 0 198.269 2.943 10 30 AFEERN C=C[C@@H](C)C(=O)c1ccsc1 238434450 573543438 /nfs/dbraw/zinc/54/34/38/573543438.db2.gz UQTYZSZWXDLNAP-SSDOTTSWSA-N 0 0 166.245 2.753 10 30 AFEERN C=C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C 238435352 573543534 /nfs/dbraw/zinc/54/35/34/573543534.db2.gz FVNDVVFSTDHOBQ-WCABBAIRSA-N 0 0 166.264 2.814 10 30 AFEERN CC[C@H](C#N)CNc1cccc(C)c1 258764276 573543709 /nfs/dbraw/zinc/54/37/09/573543709.db2.gz YCTIPXOWAIGSMR-LLVKDONJSA-N 0 0 188.274 2.957 10 30 AFEERN C=CCC[C@H]1C(=O)CC[C@H]1C 238434827 573543821 /nfs/dbraw/zinc/54/38/21/573543821.db2.gz SZZVECBIYALJLF-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)[C@@](C)(C#N)c1ccccc1N 259499469 573543825 /nfs/dbraw/zinc/54/38/25/573543825.db2.gz JFTDWGCYXQZOQJ-GFCCVEGCSA-N 0 0 188.274 2.706 10 30 AFEERN O=C1C=C(C2CCCC2)CCC1 83534826 573543911 /nfs/dbraw/zinc/54/39/11/573543911.db2.gz HVNKUHLKFHLWRV-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C=CCCC1=CC(=O)CCC1 83534757 573543978 /nfs/dbraw/zinc/54/39/78/573543978.db2.gz UNRFKLYKKAGJGW-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=C[C@](C)(/C=C\CO)c1ccccc1 308618914 573545093 /nfs/dbraw/zinc/54/50/93/573545093.db2.gz CFLLNUJSMCISTF-PGJNLMOESA-N 0 0 188.270 2.679 10 30 AFEERN O=CCc1oc2ccccc2c1Cl 107360684 573545119 /nfs/dbraw/zinc/54/51/19/573545119.db2.gz ZOTCTFUIZIOQGQ-UHFFFAOYSA-N 0 0 194.617 2.828 10 30 AFEERN C=C[C@@H](C)[C@]1(C)C=CC(=O)CC1 238436493 573545534 /nfs/dbraw/zinc/54/55/34/573545534.db2.gz YNWKZASLXINEOV-MWLCHTKSSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@H]1C#CCCCC=CCCC[C@@H]1O 308626114 573545426 /nfs/dbraw/zinc/54/54/26/573545426.db2.gz LPXZAOUKAHFYFG-STQMWFEESA-N 0 0 192.302 2.897 10 30 AFEERN CCCc1ccccc1[C@@H](F)C=O 257824468 573545446 /nfs/dbraw/zinc/54/54/46/573545446.db2.gz GVLSLJVYGNBRNT-NSHDSACASA-N 0 0 180.222 2.849 10 30 AFEERN Cc1ccsc1[C@H]1O[C@H]1C 259500545 573545758 /nfs/dbraw/zinc/54/57/58/573545758.db2.gz ZPWIMYYUDMFHTJ-BQBZGAKWSA-N 0 0 154.234 2.516 10 30 AFEERN C/C(C#CC1CCCCC1)=C\[C@@H](C)O 308619236 573546919 /nfs/dbraw/zinc/54/69/19/573546919.db2.gz CZGDLOWYPWAISW-HCRIHEDKSA-N 0 0 192.302 2.897 10 30 AFEERN C[C@H]1C#CCCCC=CCCC[C@H]1O 308626113 573546976 /nfs/dbraw/zinc/54/69/76/573546976.db2.gz LPXZAOUKAHFYFG-QWHCGFSZSA-N 0 0 192.302 2.897 10 30 AFEERN C=CCC[C@@H]1C(=O)CC[C@H]1C 238435590 573547101 /nfs/dbraw/zinc/54/71/01/573547101.db2.gz SZZVECBIYALJLF-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H]([C@H](C)O)[C@@H](C)c1ccccc1 308626471 573547144 /nfs/dbraw/zinc/54/71/44/573547144.db2.gz MSHSUQMAVWFAEY-GVXVVHGQSA-N 0 0 190.286 2.973 10 30 AFEERN Cc1cccc2c1[C@@H](CC=O)CC2 257825536 573549115 /nfs/dbraw/zinc/54/91/15/573549115.db2.gz HCRXSPYOBQUDNF-LLVKDONJSA-N 0 0 174.243 2.614 10 30 AFEERN C/C=C\CC#C[C@H](O)c1ccccc1 308626962 573547244 /nfs/dbraw/zinc/54/72/44/573547244.db2.gz NYARIDXVMZPMPY-ZRMMWKCHSA-N 0 0 186.254 2.690 10 30 AFEERN C=C[C@@H]1[C@@H](C)C(=O)CCC1(C)C 238436644 573549120 /nfs/dbraw/zinc/54/91/20/573549120.db2.gz KDLWOLXOFSATQD-RKDXNWHRSA-N 0 0 166.264 2.814 10 30 AFEERN O=CC[C@@H](C(F)F)C1CCCC1 257826007 573547380 /nfs/dbraw/zinc/54/73/80/573547380.db2.gz HIUBAQAYKHCGRK-MRVPVSSYSA-N 0 0 176.206 2.647 10 30 AFEERN C[C@@H]1C#CCCCC=CCCC[C@@H]1O 308626112 573547385 /nfs/dbraw/zinc/54/73/85/573547385.db2.gz LPXZAOUKAHFYFG-OLZOCXBDSA-N 0 0 192.302 2.897 10 30 AFEERN CC[C@@]1(c2ccc(C)cc2)C[C@@H]1C=O 257825819 573547459 /nfs/dbraw/zinc/54/74/59/573547459.db2.gz HIYBPVXWCPJVNR-OLZOCXBDSA-N 0 0 188.270 2.862 10 30 AFEERN C[C@@H]1[C@@H](C#N)[C@@H]1C1CCCC1 259505579 573547586 /nfs/dbraw/zinc/54/75/86/573547586.db2.gz BHPMECHUNUYXQB-QNSHHTMESA-N 0 0 149.237 2.582 10 30 AFEERN O=C[C@H]1CC[C@@H]1c1ccc(F)cc1 257826439 573547611 /nfs/dbraw/zinc/54/76/11/573547611.db2.gz HMBAIHBCCBNDSX-MWLCHTKSSA-N 0 0 178.206 2.518 10 30 AFEERN C/C(C#CC1CCCCC1)=C\[C@H](C)O 308619237 573547639 /nfs/dbraw/zinc/54/76/39/573547639.db2.gz CZGDLOWYPWAISW-IIANPFDCSA-N 0 0 192.302 2.897 10 30 AFEERN CCS[C@@]1(C#N)CCC[C@H]1C 86658300 573547943 /nfs/dbraw/zinc/54/79/43/573547943.db2.gz FDAWXPFMSMFYIX-RKDXNWHRSA-N 0 0 169.293 2.822 10 30 AFEERN CCC=C(C)C(=O)C(=O)C(C)CCC 308626134 573547977 /nfs/dbraw/zinc/54/79/77/573547977.db2.gz LVIVBRJWWKAIDQ-OXQRAWNSSA-N 0 0 196.290 2.629 10 30 AFEERN Cc1noc(C#N)c1C1CCCCC1 259502982 573547988 /nfs/dbraw/zinc/54/79/88/573547988.db2.gz VAYRJPMNYGHXRV-UHFFFAOYSA-N 0 0 190.246 2.902 10 30 AFEERN O=CC[C@H](C(F)F)C1CCCC1 257826008 573548001 /nfs/dbraw/zinc/54/80/01/573548001.db2.gz HIUBAQAYKHCGRK-QMMMGPOBSA-N 0 0 176.206 2.647 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@H]1C(C)=O 238435835 573548013 /nfs/dbraw/zinc/54/80/13/573548013.db2.gz AXWIGZGFYQKXLU-DVVUODLYSA-N 0 0 166.264 2.814 10 30 AFEERN CC/C=C/C=C\C#C/C=C/[C@H](O)CC 308629960 573549138 /nfs/dbraw/zinc/54/91/38/573549138.db2.gz SLEGTYGXNHEDDS-LLEWEAQWSA-N 0 0 190.286 2.839 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@]1(C)C=O 238435981 573548095 /nfs/dbraw/zinc/54/80/95/573548095.db2.gz PZAULCURUZGWAG-OUAUKWLOSA-N 0 0 166.264 2.814 10 30 AFEERN CCSCC=NOC1CCCC1 393534309 573548127 /nfs/dbraw/zinc/54/81/27/573548127.db2.gz YIDQFZTZOAUOEM-UHFFFAOYSA-N 0 0 187.308 2.685 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H](C)[C@@H]1CC=O 238435902 573548221 /nfs/dbraw/zinc/54/82/21/573548221.db2.gz GQKDBCCSCYPPGQ-VWYCJHECSA-N 0 0 166.264 2.814 10 30 AFEERN CCS[C@]1(C#N)CCC[C@@H]1C 86658297 573548265 /nfs/dbraw/zinc/54/82/65/573548265.db2.gz FDAWXPFMSMFYIX-IUCAKERBSA-N 0 0 169.293 2.822 10 30 AFEERN Cc1cccc2c1[C@H](CC=O)CC2 257825538 573548274 /nfs/dbraw/zinc/54/82/74/573548274.db2.gz HCRXSPYOBQUDNF-NSHDSACASA-N 0 0 174.243 2.614 10 30 AFEERN C[C@H]1[C@H](C2CCCC2)[C@@H]1C#N 259505582 573548353 /nfs/dbraw/zinc/54/83/53/573548353.db2.gz BHPMECHUNUYXQB-SZEHBUNVSA-N 0 0 149.237 2.582 10 30 AFEERN CC#CCC[C@@H](C)C[C@@H](O)CCC 238262662 573548387 /nfs/dbraw/zinc/54/83/87/573548387.db2.gz LWOKAPNFCSCIHK-NEPJUHHUSA-N 0 0 182.307 2.977 10 30 AFEERN CC(=O)C1=C(C)C[C@H](C)CC1 238436564 573548425 /nfs/dbraw/zinc/54/84/25/573548425.db2.gz BBLOGQZINRBJOU-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN O=C[C@@H]1CC[C@@H]1c1ccc(F)cc1 257826437 573548515 /nfs/dbraw/zinc/54/85/15/573548515.db2.gz HMBAIHBCCBNDSX-GXSJLCMTSA-N 0 0 178.206 2.518 10 30 AFEERN C=C[C@@H](C)[C@@H](O)c1ccccc1C 238435819 573548583 /nfs/dbraw/zinc/54/85/83/573548583.db2.gz GWDZAYJFYWZALN-BXKDBHETSA-N 0 0 176.259 2.851 10 30 AFEERN CC(=O)[C@@H]1CC[C@@H](C)[C@@H](CC#N)C1 238436119 573548898 /nfs/dbraw/zinc/54/88/98/573548898.db2.gz JIYQQXDDWPRFCV-DVVUODLYSA-N 0 0 179.263 2.541 10 30 AFEERN CC[C@@]1(c2ccc(C)cc2)C[C@H]1C=O 257825821 573548922 /nfs/dbraw/zinc/54/89/22/573548922.db2.gz HIYBPVXWCPJVNR-STQMWFEESA-N 0 0 188.270 2.862 10 30 AFEERN C=C[C@H]1C[C@H](C(=C)C)CC(=O)[C@@H]1C 238436734 573549062 /nfs/dbraw/zinc/54/90/62/573549062.db2.gz RMKKSTKKOPUZKR-VWYCJHECSA-N 0 0 178.275 2.980 10 30 AFEERN C=C1CCC[C@]12C(=O)CC[C@H]2C 238435937 573548949 /nfs/dbraw/zinc/54/89/49/573548949.db2.gz WYFZUYXTGALHMM-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN N#CC1(Cc2ccc3ncoc3c2)CC1 259111955 573550605 /nfs/dbraw/zinc/55/06/05/573550605.db2.gz KPFWBRATOSIWGY-UHFFFAOYSA-N 0 0 198.225 2.674 10 30 AFEERN CC[C@]1(c2ccc(C)cc2)C[C@H]1C=O 257825820 573551699 /nfs/dbraw/zinc/55/16/99/573551699.db2.gz HIYBPVXWCPJVNR-QWHCGFSZSA-N 0 0 188.270 2.862 10 30 AFEERN CC1=C[C@]2(C)CCC[C@H]2[C@@H](C)C1=O 238438311 573551704 /nfs/dbraw/zinc/55/17/04/573551704.db2.gz QQVHWPJZYBILNM-SCVCMEIPSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1nc2ccc([C@H]3C[C@H]3C#N)cc2o1 259120692 573550449 /nfs/dbraw/zinc/55/04/49/573550449.db2.gz LBXVEKKOSJHZKN-VHSXEESVSA-N 0 0 198.225 2.763 10 30 AFEERN CC/C=C/C=C\C#C/C=C\[C@H](O)CC 308629959 573550463 /nfs/dbraw/zinc/55/04/63/573550463.db2.gz SLEGTYGXNHEDDS-FUQITZPYSA-N 0 0 190.286 2.839 10 30 AFEERN C#CC(O)(CCCC)CCCC 33641388 573550503 /nfs/dbraw/zinc/55/05/03/573550503.db2.gz BCNFZPFDVPQUEH-UHFFFAOYSA-N 0 0 168.280 2.731 10 30 AFEERN C[C@@H]1[C@@H](C=O)C(C)(C)C1(C)C 238436939 573550560 /nfs/dbraw/zinc/55/05/60/573550560.db2.gz FGCRAVWMBOYPGB-HTQZYQBOSA-N 0 0 154.253 2.504 10 30 AFEERN C[C@H](c1ccccc1)[C@H]1C[C@@H]1C=O 238437061 573550667 /nfs/dbraw/zinc/55/06/67/573550667.db2.gz LDULLWVINPBSGP-YUSALJHKSA-N 0 0 174.243 2.625 10 30 AFEERN N#CC1(Sc2cccs2)CC1 259120811 573550836 /nfs/dbraw/zinc/55/08/36/573550836.db2.gz BVRNJTXJKVNUTP-UHFFFAOYSA-N 0 0 181.285 2.896 10 30 AFEERN C#C[C@H](O)[C@H](/C(C)=C/C=C\C)C(C)C 308628339 573550877 /nfs/dbraw/zinc/55/08/77/573550877.db2.gz QFCJVADKQULYIK-MTPGNOOJSA-N 0 0 192.302 2.775 10 30 AFEERN N#C[C@H](c1ccccc1)c1cc[nH]c1 259120931 573550918 /nfs/dbraw/zinc/55/09/18/573550918.db2.gz LDKKKBBVFAWWQR-GFCCVEGCSA-N 0 0 182.226 2.670 10 30 AFEERN CC[C@]1(c2ccc(C)cc2)C[C@@H]1C=O 257825818 573550929 /nfs/dbraw/zinc/55/09/29/573550929.db2.gz HIYBPVXWCPJVNR-CHWSQXEVSA-N 0 0 188.270 2.862 10 30 AFEERN Cc1nc2ccc([C@@H]3C[C@H]3C#N)cc2o1 259120690 573550958 /nfs/dbraw/zinc/55/09/58/573550958.db2.gz LBXVEKKOSJHZKN-UWVGGRQHSA-N 0 0 198.225 2.763 10 30 AFEERN C=CC#C[C@H](O)[C@@H](CC)/C(C)=C\C=C 308628647 573551108 /nfs/dbraw/zinc/55/11/08/573551108.db2.gz QQAQPHMGSAUNOV-VMYYRQAJSA-N 0 0 190.286 2.695 10 30 AFEERN C[C@@H]1[C@H](C#N)[C@@H]1C1CCCC1 259505577 573551142 /nfs/dbraw/zinc/55/11/42/573551142.db2.gz BHPMECHUNUYXQB-JEZHCXPESA-N 0 0 149.237 2.582 10 30 AFEERN C=CC#C[C@H](O)[C@H](CC)/C(C)=C\C=C 308628646 573551190 /nfs/dbraw/zinc/55/11/90/573551190.db2.gz QQAQPHMGSAUNOV-IHOFHSRRSA-N 0 0 190.286 2.695 10 30 AFEERN CC1=C[C@@H]2CCCC[C@H]2[C@@H](C)C1=O 238437910 573551281 /nfs/dbraw/zinc/55/12/81/573551281.db2.gz UCZDOUNHCCYXDV-VWYCJHECSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1ccc(C)c(C(=O)C2(C#N)CC2)c1 259119730 573551788 /nfs/dbraw/zinc/55/17/88/573551788.db2.gz IPNGCDOPPDMPEU-UHFFFAOYSA-N 0 0 199.253 2.790 10 30 AFEERN C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C=O)(C3)C2 238438161 573551708 /nfs/dbraw/zinc/55/17/08/573551708.db2.gz BOZHMTCDMWMLGZ-CDECOKDKSA-N 0 0 178.275 2.792 10 30 AFEERN C=C[C@@H](C)[C@H]([NH3+])c1cccc(F)c1F 238437144 573551369 /nfs/dbraw/zinc/55/13/69/573551369.db2.gz ULSPSCDZJLPTIE-HQJQHLMTSA-N 0 0 197.228 2.787 10 30 AFEERN C[C@@]12C=C[C@@H](CCC1)C[C@@H]2C=O 238436856 573551527 /nfs/dbraw/zinc/55/15/27/573551527.db2.gz XEKFLZWBEZLWID-MXWKQRLJSA-N 0 0 164.248 2.568 10 30 AFEERN CC/C=C/C=C/C#C/C=C\[C@H](O)CC 308629961 573551531 /nfs/dbraw/zinc/55/15/31/573551531.db2.gz SLEGTYGXNHEDDS-PDIWUWPDSA-N 0 0 190.286 2.839 10 30 AFEERN CCC/N=C1/CCOc2ccccc21 107390053 573551538 /nfs/dbraw/zinc/55/15/38/573551538.db2.gz MTKHLDJIJHFRHF-QBFSEMIESA-N 0 0 189.258 2.668 10 30 AFEERN C=C[C@@H](C)[C@H]([NH3+])c1c(F)cccc1F 238437054 573551588 /nfs/dbraw/zinc/55/15/88/573551588.db2.gz AAIQKKHQLSLKHF-HQJQHLMTSA-N 0 0 197.228 2.787 10 30 AFEERN CC[C@]1(C#N)CC12CCCC2 259502079 573551697 /nfs/dbraw/zinc/55/16/97/573551697.db2.gz AVDRWLAUHSPHDL-SECBINFHSA-N 0 0 149.237 2.870 10 30 AFEERN [N-]=[N+]=Nc1nonc1-c1ccccc1 223670317 573552013 /nfs/dbraw/zinc/55/20/13/573552013.db2.gz UNXWPKRCPYWJFJ-UHFFFAOYSA-N 0 0 187.162 2.678 10 30 AFEERN CC1=C2CC[C@H]2[C@@H](C)C(C)(C)C1=O 238437513 573552118 /nfs/dbraw/zinc/55/21/18/573552118.db2.gz YCIKUZOTJCFVCT-SCZZXKLOSA-N 0 0 178.275 2.958 10 30 AFEERN N#CCCc1nc(C2CCC2)cs1 259119997 573554620 /nfs/dbraw/zinc/55/46/20/573554620.db2.gz GQBMUCOWRWDVIR-UHFFFAOYSA-N 0 0 192.287 2.867 10 30 AFEERN Cc1nc2cc([C@H]3C[C@@H]3C#N)ccc2o1 259111781 573552161 /nfs/dbraw/zinc/55/21/61/573552161.db2.gz KMVBGWLFHZJXTO-NXEZZACHSA-N 0 0 198.225 2.763 10 30 AFEERN Cc1nc2cc([C@@H]3C[C@H]3C#N)ccc2o1 259111784 573552223 /nfs/dbraw/zinc/55/22/23/573552223.db2.gz KMVBGWLFHZJXTO-UWVGGRQHSA-N 0 0 198.225 2.763 10 30 AFEERN CC(C)[C@H](C)CCC#N 107395638 573552305 /nfs/dbraw/zinc/55/23/05/573552305.db2.gz LBBPKFCHDSOZQS-MRVPVSSYSA-N 0 0 125.215 2.582 10 30 AFEERN C/C=C\C#CC#CCC[C@@H](O)CCC 308629986 573552436 /nfs/dbraw/zinc/55/24/36/573552436.db2.gz SNDZBXONXVYAQC-DXTPNHAXSA-N 0 0 190.286 2.511 10 30 AFEERN C=CC[C@H]1CC[C@@H](C(C)=O)[C@@H]1C 238438081 573552468 /nfs/dbraw/zinc/55/24/68/573552468.db2.gz VCONEMSMPCZKGZ-DVVUODLYSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@]12CCC[C@@H]1C(=O)C1=C2CCC1 238437552 573552571 /nfs/dbraw/zinc/55/25/71/573552571.db2.gz AQRSUSVBZLXEHX-PWSUYJOCSA-N 0 0 176.259 2.856 10 30 AFEERN C[C@H]1C=CC(=O)C(C)(C)CC1 238436826 573552613 /nfs/dbraw/zinc/55/26/13/573552613.db2.gz HNRKRVWOXLQXPJ-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1nc2ccc([C@H]3C[C@@H]3C#N)cc2o1 259120686 573552730 /nfs/dbraw/zinc/55/27/30/573552730.db2.gz LBXVEKKOSJHZKN-NXEZZACHSA-N 0 0 198.225 2.763 10 30 AFEERN C=C[C@H]1[C@@H](C(=O)C(C)(C)C)[C@@H]1C 238436814 573552828 /nfs/dbraw/zinc/55/28/28/573552828.db2.gz OYHBCRGTIPEROZ-HLTSFMKQSA-N 0 0 166.264 2.670 10 30 AFEERN CCO[C@](C)(C=O)CC1CCCC1 257830224 573552917 /nfs/dbraw/zinc/55/29/17/573552917.db2.gz JDZMQDKPFQIUFS-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN N#C[C@@H]1CCC12CCCCC2 258450221 573553010 /nfs/dbraw/zinc/55/30/10/573553010.db2.gz FUHPEHLIIFIWAF-VIFPVBQESA-N 0 0 149.237 2.870 10 30 AFEERN Cc1nc2cc([C@H]3C[C@H]3C#N)ccc2o1 259111787 573553039 /nfs/dbraw/zinc/55/30/39/573553039.db2.gz KMVBGWLFHZJXTO-VHSXEESVSA-N 0 0 198.225 2.763 10 30 AFEERN N#C[C@@H](c1ccccc1)c1cc[nH]c1 259120936 573553047 /nfs/dbraw/zinc/55/30/47/573553047.db2.gz LDKKKBBVFAWWQR-LBPRGKRZSA-N 0 0 182.226 2.670 10 30 AFEERN Cc1nc2ccc([C@@H]3C[C@@H]3C#N)cc2o1 259120695 573553137 /nfs/dbraw/zinc/55/31/37/573553137.db2.gz LBXVEKKOSJHZKN-ZJUUUORDSA-N 0 0 198.225 2.763 10 30 AFEERN O=C[C@@H]1CC[C@H]1c1ccc(F)cc1 257826440 573553238 /nfs/dbraw/zinc/55/32/38/573553238.db2.gz HMBAIHBCCBNDSX-ONGXEEELSA-N 0 0 178.206 2.518 10 30 AFEERN C=C[C@@H](C)[C@H](O)c1ccccc1C 238437720 573553319 /nfs/dbraw/zinc/55/33/19/573553319.db2.gz GWDZAYJFYWZALN-SKDRFNHKSA-N 0 0 176.259 2.851 10 30 AFEERN COc1cc(C)c([C@@H]2CO2)c(C)c1C 259120369 573553320 /nfs/dbraw/zinc/55/33/20/573553320.db2.gz DJGIOYWVQQOGPM-NSHDSACASA-N 0 0 192.258 2.692 10 30 AFEERN C=C[C@@H](C)[C@H]([NH3+])c1cc(F)ccc1F 238437088 573553615 /nfs/dbraw/zinc/55/36/15/573553615.db2.gz KBMJHCVGIISXTQ-HQJQHLMTSA-N 0 0 197.228 2.787 10 30 AFEERN C#C[C@H](O)[C@@H](/C(C)=C/C=C\C)C(C)C 308628337 573553722 /nfs/dbraw/zinc/55/37/22/573553722.db2.gz QFCJVADKQULYIK-IBNNLMLSSA-N 0 0 192.302 2.775 10 30 AFEERN Cc1nc2cc([C@@H]3C[C@@H]3C#N)ccc2o1 259111790 573554560 /nfs/dbraw/zinc/55/45/60/573554560.db2.gz KMVBGWLFHZJXTO-ZJUUUORDSA-N 0 0 198.225 2.763 10 30 AFEERN C=CC[C@](C=C)(CO)c1ccccc1 308628313 573553858 /nfs/dbraw/zinc/55/38/58/573553858.db2.gz QCCINBDRZJYJDT-CYBMUJFWSA-N 0 0 188.270 2.679 10 30 AFEERN C=C[C@H](O)[C@H](C=C)OC(C)(C)C(C)C 308629216 573553869 /nfs/dbraw/zinc/55/38/69/573553869.db2.gz RMAPAUHCOUCEOC-QWRGUYRKSA-N 0 0 198.306 2.539 10 30 AFEERN CC(C)=CC1=C[C@@H](C)C[C@@H]1C=O 238437142 573553892 /nfs/dbraw/zinc/55/38/92/573553892.db2.gz VASFSHSYJIDJMO-MWLCHTKSSA-N 0 0 164.248 2.734 10 30 AFEERN CCCC[C@H](O)/C=C1\CCCCC1=O 308628216 573553951 /nfs/dbraw/zinc/55/39/51/573553951.db2.gz PVQMHLDSFNXMLB-USKTWTLRSA-N 0 0 196.290 2.607 10 30 AFEERN CC(C)[C@@H](C)CCC#N 107395635 573554282 /nfs/dbraw/zinc/55/42/82/573554282.db2.gz LBBPKFCHDSOZQS-QMMMGPOBSA-N 0 0 125.215 2.582 10 30 AFEERN O=C1C=CCCCC12CCCC2 197043832 573554314 /nfs/dbraw/zinc/55/43/14/573554314.db2.gz DDHIIXBKEQRKCZ-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C[C@H]1CCCC[C@@]1(C=O)CCC#N 238439014 573554471 /nfs/dbraw/zinc/55/44/71/573554471.db2.gz GLLVXUMJINXALJ-QWRGUYRKSA-N 0 0 179.263 2.686 10 30 AFEERN COc1cc(C)c([C@H]2CO2)c(C)c1C 259120368 573555552 /nfs/dbraw/zinc/55/55/52/573555552.db2.gz DJGIOYWVQQOGPM-LLVKDONJSA-N 0 0 192.258 2.692 10 30 AFEERN N#C[C@H]1CCC12CCCCC2 258450220 573555570 /nfs/dbraw/zinc/55/55/70/573555570.db2.gz FUHPEHLIIFIWAF-SECBINFHSA-N 0 0 149.237 2.870 10 30 AFEERN C=C(C[C@@H](O)c1ccc(C)cc1)OC 308619759 573557543 /nfs/dbraw/zinc/55/75/43/573557543.db2.gz DBGFQAHYQNGSTO-GFCCVEGCSA-N 0 0 192.258 2.579 10 30 AFEERN C[C@H](CCC#N)C(C)(C)C 107396337 573557884 /nfs/dbraw/zinc/55/78/84/573557884.db2.gz IVILIYCTDAKDGV-MRVPVSSYSA-N 0 0 139.242 2.972 10 30 AFEERN Cc1cccc2[nH]c(CCCC#N)nc12 259506775 573557887 /nfs/dbraw/zinc/55/78/87/573557887.db2.gz VLZVCOANSYUODM-UHFFFAOYSA-N 0 0 199.257 2.718 10 30 AFEERN C=C[C@@H](C)c1noc(/C=C/CC)n1 393536919 573558075 /nfs/dbraw/zinc/55/80/75/573558075.db2.gz HZFKVAWWTPBYTF-HYDMIIDASA-N 0 0 178.235 2.782 10 30 AFEERN CC(C)[C@H]1CCC2=CC(=O)C[C@@]21C 211905707 573558164 /nfs/dbraw/zinc/55/81/64/573558164.db2.gz IIVNPYQVUWMOSA-NEPJUHHUSA-N 0 0 178.275 2.958 10 30 AFEERN CCCC1(CN[C@H](C#N)CC)CCC1 308620755 573558245 /nfs/dbraw/zinc/55/82/45/573558245.db2.gz TUKBACRMOIUGMY-NSHDSACASA-N 0 0 194.322 2.849 10 30 AFEERN CC(C)Oc1ccc(NCS)cc1 258777568 573558374 /nfs/dbraw/zinc/55/83/74/573558374.db2.gz ZICRSGRTNIXNQF-UHFFFAOYSA-N 0 0 197.303 2.773 10 30 AFEERN Cc1c(C2CCCCC2)noc1C#N 259506233 573558676 /nfs/dbraw/zinc/55/86/76/573558676.db2.gz QNOHLMLTNWPKNW-UHFFFAOYSA-N 0 0 190.246 2.902 10 30 AFEERN CCC/C=N\[C@@H](CO)c1ccccc1 308620552 573558707 /nfs/dbraw/zinc/55/87/07/573558707.db2.gz DRQRCIZPBAQHSQ-VWLVURMCSA-N 0 0 191.274 2.591 10 30 AFEERN N#CCc1c(F)ccc2occc12 258060340 573558928 /nfs/dbraw/zinc/55/89/28/573558928.db2.gz SNDDRFHJSKVJCU-UHFFFAOYSA-N 0 0 175.162 2.638 10 30 AFEERN C=C[C@@H](O)c1cccc(Cl)c1F 145290120 573559200 /nfs/dbraw/zinc/55/92/00/573559200.db2.gz ZAGPXRCBFLRMFS-MRVPVSSYSA-N 0 0 186.613 2.699 10 30 AFEERN CCCC1(CN[C@@H](C#N)CC)CCC1 308620754 573559314 /nfs/dbraw/zinc/55/93/14/573559314.db2.gz TUKBACRMOIUGMY-LLVKDONJSA-N 0 0 194.322 2.849 10 30 AFEERN C[C@H]1CCCC[C@@]12C=CC(=O)C2 238440193 573559363 /nfs/dbraw/zinc/55/93/63/573559363.db2.gz YCGDKIKORXFABT-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc2nc(CCC#N)ccc2c1 259505246 573559372 /nfs/dbraw/zinc/55/93/72/573559372.db2.gz BEOKUFFVNHDKNF-UHFFFAOYSA-N 0 0 196.253 2.999 10 30 AFEERN C/C=C\C[C@@H](O)c1ccc(C#N)cc1 220780690 573560750 /nfs/dbraw/zinc/56/07/50/573560750.db2.gz GBSVJXIMOOIRCA-ZZKXABKFSA-N 0 0 187.242 2.558 10 30 AFEERN C=C(C)C[C@H]1CC[C@H](C)CC1=O 238440140 573560952 /nfs/dbraw/zinc/56/09/52/573560952.db2.gz LMWSAPPFGSCDOB-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C/C(=C\c1ccco1)[C@H](C)C=O 238439913 573561622 /nfs/dbraw/zinc/56/16/22/573561622.db2.gz YMWMDGLRGIMNQZ-BNICOGTQSA-N 0 0 164.204 2.518 10 30 AFEERN N#C[C@H]1[C@H](C2CC2)C12CCCC2 259509588 573561512 /nfs/dbraw/zinc/56/15/12/573561512.db2.gz BUAZLHGRAMNKMT-UWVGGRQHSA-N 0 0 161.248 2.726 10 30 AFEERN CO[C@@](C)(C=O)CC1CCCCC1 257830595 573561527 /nfs/dbraw/zinc/56/15/27/573561527.db2.gz JIBDBXBYXRYOCG-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN C#C[C@H](O)[C@H](/C(C)=C\C(=C)C)C(C)C 308622855 573561529 /nfs/dbraw/zinc/56/15/29/573561529.db2.gz HIZRUZFASRSKHN-WDSMJVJCSA-N 0 0 192.302 2.775 10 30 AFEERN Cc1cc(O)c(F)c([C@@H](C)CC=O)c1 258061872 573561617 /nfs/dbraw/zinc/56/16/17/573561617.db2.gz LMHYSERRWMEVKW-QMMMGPOBSA-N 0 0 196.221 2.532 10 30 AFEERN N#C[C@@H]1[C@@H](C2CC2)C12CCCC2 259509585 573561842 /nfs/dbraw/zinc/56/18/42/573561842.db2.gz BUAZLHGRAMNKMT-NXEZZACHSA-N 0 0 161.248 2.726 10 30 AFEERN C#Cc1ccc2c(Cl)nccc2c1 224300916 573562063 /nfs/dbraw/zinc/56/20/63/573562063.db2.gz DBJMQXLCTJHARB-UHFFFAOYSA-N 0 0 187.629 2.870 10 30 AFEERN CC(C)CC1(C2(C#N)CCC2)COC1 258774245 573562331 /nfs/dbraw/zinc/56/23/31/573562331.db2.gz UFENMKVQNAWQFD-UHFFFAOYSA-N 0 0 193.290 2.743 10 30 AFEERN C=C[C@H](C)c1noc(/C=C\CC)n1 393536921 573562534 /nfs/dbraw/zinc/56/25/34/573562534.db2.gz HZFKVAWWTPBYTF-UAPHAKCISA-N 0 0 178.235 2.782 10 30 AFEERN C#C[C@H](O)[C@@H](/C(C)=C\C(=C)C)C(C)C 308622856 573562555 /nfs/dbraw/zinc/56/25/55/573562555.db2.gz HIZRUZFASRSKHN-ZBNJQPBLSA-N 0 0 192.302 2.775 10 30 AFEERN C[C@H]1C(Cl)=CC(=O)CC1(C)C 238439876 573562584 /nfs/dbraw/zinc/56/25/84/573562584.db2.gz KUIQMVSTQYVBLL-LURJTMIESA-N 0 0 172.655 2.744 10 30 AFEERN C=C(C)[C@H](O)/C=C\c1ccc(F)cc1 308622770 573563417 /nfs/dbraw/zinc/56/34/17/573563417.db2.gz GUWVJSCPZJFBOB-VVEJJEBESA-N 0 0 192.233 2.776 10 30 AFEERN C[C@@H]1CCC2=C(C1)C(=O)CCC2 238440135 573563488 /nfs/dbraw/zinc/56/34/88/573563488.db2.gz QHVPEODHBIUYPU-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN C[C@@H]1CCC2=C(C1)C(=O)C[C@H]2C 238440201 573563511 /nfs/dbraw/zinc/56/35/11/573563511.db2.gz WUMGJDIHDFUJTH-HTQZYQBOSA-N 0 0 164.248 2.712 10 30 AFEERN CC1CCC([C@@H](C)C=O)CC1 107398743 573563930 /nfs/dbraw/zinc/56/39/30/573563930.db2.gz IHFVXSDTDIXNPU-KYHHOPLUSA-N 0 0 154.253 2.648 10 30 AFEERN C/C=C/C=C\C#C/C=C\[C@H](O)CCC 308621449 573563957 /nfs/dbraw/zinc/56/39/57/573563957.db2.gz FZPXPMLIFZJOGH-CAPXTUBFSA-N 0 0 190.286 2.839 10 30 AFEERN C=C[C@@H](C)c1noc(/C=C\CC)n1 393536920 573563979 /nfs/dbraw/zinc/56/39/79/573563979.db2.gz HZFKVAWWTPBYTF-NFXKFNAJSA-N 0 0 178.235 2.782 10 30 AFEERN C=C[C@]1(C)C(C)=C(C)C(=O)[C@@H]1C 238432737 573564103 /nfs/dbraw/zinc/56/41/03/573564103.db2.gz OMHQJPDKZPEVOI-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN CC[C@H](C#N)[C@@H](N)c1cccc(C)c1 259512336 573564148 /nfs/dbraw/zinc/56/41/48/573564148.db2.gz RQMSTWKKLNXALI-ZYHUDNBSSA-N 0 0 188.274 2.545 10 30 AFEERN Cc1ccccc1[C@H]1CC[C@@H]1C=O 257831164 573564236 /nfs/dbraw/zinc/56/42/36/573564236.db2.gz JNWRUJSHNHNPFD-PWSUYJOCSA-N 0 0 174.243 2.688 10 30 AFEERN CC(C)/C=C1/CC(C)(C)CC1=O 224327405 573564651 /nfs/dbraw/zinc/56/46/51/573564651.db2.gz GBMUXDDFCBVGAW-UITAMQMPSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1[C@H](CO)CCC(C)(C)[C@H]1C 238432430 573564721 /nfs/dbraw/zinc/56/47/21/573564721.db2.gz SQGLNMCVBPSWGH-UWVGGRQHSA-N 0 0 168.280 2.607 10 30 AFEERN C1C2CC3CC1CC(C[C@H]1CO1)(C2)C3 145231214 573565215 /nfs/dbraw/zinc/56/52/15/573565215.db2.gz ZEGIVQUKRBNEAI-RFMXUXEOSA-N 0 0 192.302 2.992 10 30 AFEERN N#Cc1cc2sc3c(c2[nH]1)CCC3 259512137 573565022 /nfs/dbraw/zinc/56/50/22/573565022.db2.gz RJWBDHBIVDCKDC-UHFFFAOYSA-N 0 0 188.255 2.590 10 30 AFEERN C[C@@H]1CCC(=O)C2=C1CCCC2 238432690 573565043 /nfs/dbraw/zinc/56/50/43/573565043.db2.gz BDDKGTQZXIXCKO-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN C=C1[C@@H](C=O)CCC(C)(C)[C@H]1C 238432335 573565055 /nfs/dbraw/zinc/56/50/55/573565055.db2.gz IVXXIDDXDLVBJQ-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1[C@@H]([C@@H](C)O)C12CCCCC2 238432553 573565076 /nfs/dbraw/zinc/56/50/76/573565076.db2.gz DFYZLCCDRBVFFY-ZJUUUORDSA-N 0 0 166.264 2.504 10 30 AFEERN Cn1cc(Cl)c2ccc(C#N)cc21 258061814 573565156 /nfs/dbraw/zinc/56/51/56/573565156.db2.gz LLFBEDUOSNJOFE-UHFFFAOYSA-N 0 0 190.633 2.703 10 30 AFEERN CC(C)=C1C(=O)[C@H](C)C1(C)C 238432571 573566160 /nfs/dbraw/zinc/56/61/60/573566160.db2.gz JAJVQQOZHPTGFQ-ZETCQYMHSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccccc1[C@@H]1CC[C@H]1C=O 257831161 573566509 /nfs/dbraw/zinc/56/65/09/573566509.db2.gz JNWRUJSHNHNPFD-CMPLNLGQSA-N 0 0 174.243 2.688 10 30 AFEERN C=C1CC(C)(C)CC(=O)[C@H]1C 238432232 573566773 /nfs/dbraw/zinc/56/67/73/573566773.db2.gz LTAKFKZYJXZUQF-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C(=O)c2ccc(C)cc2[C@H]1C 238432203 573566194 /nfs/dbraw/zinc/56/61/94/573566194.db2.gz RVRDTSOPUFJGCJ-QMMMGPOBSA-N 0 0 172.227 2.851 10 30 AFEERN C=C[C@@]1(C)C(=C)C(=O)CC[C@H]1C 238432282 573566214 /nfs/dbraw/zinc/56/62/14/573566214.db2.gz JGODYMYZQHWKLE-LDYMZIIASA-N 0 0 164.248 2.734 10 30 AFEERN C=CCCC/C=C\CO[C@H](CC)CO 308633381 573566300 /nfs/dbraw/zinc/56/63/00/573566300.db2.gz WTVMJQCGANNZJL-JLVNDZCYSA-N 0 0 198.306 2.686 10 30 AFEERN Cc1ccc(C)n1[C@H]1CCC[C@H]1C#N 86681591 573566320 /nfs/dbraw/zinc/56/63/20/573566320.db2.gz MUPKGJYLQOKTJZ-RYUDHWBXSA-N 0 0 188.274 2.970 10 30 AFEERN CC[C@](C)(C#N)n1c(C)ccc1C 86681158 573566383 /nfs/dbraw/zinc/56/63/83/573566383.db2.gz DNWGXSQQNPPZQU-LLVKDONJSA-N 0 0 176.263 2.754 10 30 AFEERN C=CCCC[C@@H](O)C(C)(C)C(C)=NO 308623400 573566424 /nfs/dbraw/zinc/56/64/24/573566424.db2.gz IBOOHLNFFCQIHW-SNVBAGLBSA-N 0 0 199.294 2.580 10 30 AFEERN C[C@@H](CC=O)c1ccc(CF)cc1 258064377 573566452 /nfs/dbraw/zinc/56/64/52/573566452.db2.gz SZRBDRJWKBUSRX-VIFPVBQESA-N 0 0 180.222 2.849 10 30 AFEERN C=C[C@H](O)[C@H](C)C1CCCCC1 238432972 573566552 /nfs/dbraw/zinc/56/65/52/573566552.db2.gz SZTSKKCHKZWKQM-KOLCDFICSA-N 0 0 168.280 2.750 10 30 AFEERN CCC[C@@H](C#N)n1c(C)ccc1C 86681139 573566607 /nfs/dbraw/zinc/56/66/07/573566607.db2.gz CQWHSQPOCKXQKD-NSHDSACASA-N 0 0 176.263 2.970 10 30 AFEERN Cc1ccc(C)n1[C@H](C#N)C(C)C 86681648 573566678 /nfs/dbraw/zinc/56/66/78/573566678.db2.gz KMWZXRMKPIUWSD-LLVKDONJSA-N 0 0 176.263 2.826 10 30 AFEERN CC[C@H](C#N)[C@H](N)c1cccc(C)c1 259512334 573566734 /nfs/dbraw/zinc/56/67/34/573566734.db2.gz RQMSTWKKLNXALI-PWSUYJOCSA-N 0 0 188.274 2.545 10 30 AFEERN C=C[C@@H](O)[C@H](C)C1CCCCC1 238433057 573566955 /nfs/dbraw/zinc/56/69/55/573566955.db2.gz SZTSKKCHKZWKQM-MWLCHTKSSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@H]1CC[C@H](C)[C@@H](NC(C)=O)C1 238433425 573569441 /nfs/dbraw/zinc/56/94/41/573569441.db2.gz CXEJOKSPSRYVFT-DLOVCJGASA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)[C@H](O)C[C@@H](CCC#N)C(C)C 308623392 573569520 /nfs/dbraw/zinc/56/95/20/573569520.db2.gz IBLQTIICPWFQSZ-VXGBXAGGSA-N 0 0 195.306 2.889 10 30 AFEERN C=C1[C@@H](CO)CCC(C)(C)[C@H]1C 238432366 573567872 /nfs/dbraw/zinc/56/78/72/573567872.db2.gz SQGLNMCVBPSWGH-VHSXEESVSA-N 0 0 168.280 2.607 10 30 AFEERN C=C(C)[C@H](O)/C=C\CCc1ccco1 308623387 573567890 /nfs/dbraw/zinc/56/78/90/573567890.db2.gz IAPXQTZAPJNDPR-HXUAIIEXSA-N 0 0 192.258 2.705 10 30 AFEERN Cc1ccc(C)c([C@@H]2O[C@H]2C)c1 258779550 573567962 /nfs/dbraw/zinc/56/79/62/573567962.db2.gz LVWGTAHFOBRYHU-GXSJLCMTSA-N 0 0 162.232 2.763 10 30 AFEERN Cc1ccc(C)n1[C@H](C#N)C1CC1 86681655 573568004 /nfs/dbraw/zinc/56/80/04/573568004.db2.gz RGGSEQFQFQUPGD-LLVKDONJSA-N 0 0 174.247 2.580 10 30 AFEERN Cc1ccc(C)n1[C@@H](C#N)C1CC1 86681653 573568083 /nfs/dbraw/zinc/56/80/83/573568083.db2.gz RGGSEQFQFQUPGD-NSHDSACASA-N 0 0 174.247 2.580 10 30 AFEERN CCC(C#N)(CC)n1cccc1 86681160 573569492 /nfs/dbraw/zinc/56/94/92/573569492.db2.gz XEWJTPUDTGQJFA-UHFFFAOYSA-N 0 0 162.236 2.527 10 30 AFEERN Cc1ccc(C)n1[C@@H](C#N)C(C)C 86681645 573569092 /nfs/dbraw/zinc/56/90/92/573569092.db2.gz KMWZXRMKPIUWSD-NSHDSACASA-N 0 0 176.263 2.826 10 30 AFEERN CC1(C)[C@@H]2CC[C@@]1(C)CC=CC2=O 224331929 573569175 /nfs/dbraw/zinc/56/91/75/573569175.db2.gz BVHNRSCJWIXPBX-BXKDBHETSA-N 0 0 178.275 2.958 10 30 AFEERN CC1CCC(C#N)(n2cccc2)CC1 86681148 573569227 /nfs/dbraw/zinc/56/92/27/573569227.db2.gz MLPJCETUOJTNPS-UHFFFAOYSA-N 0 0 188.274 2.917 10 30 AFEERN C=C[C@]1(C)C(=O)CCC[C@H]1C 238444011 573569295 /nfs/dbraw/zinc/56/92/95/573569295.db2.gz WBLGDOJIZXHPMO-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN C#C[C@@](C)(c1ccccc1)c1ccc[nH]1 238475218 573569354 /nfs/dbraw/zinc/56/93/54/573569354.db2.gz PXQHDVSGHXEWRW-AWEZNQCLSA-N 0 0 195.265 2.954 10 30 AFEERN C=C(C)C[C@@H]1C(=O)CCC[C@H]1C 238444338 573570456 /nfs/dbraw/zinc/57/04/56/573570456.db2.gz YBKVMXRBTYKTCO-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN O=C[C@H]1C[C@@H]1c1c(F)cccc1Cl 75422266 573570516 /nfs/dbraw/zinc/57/05/16/573570516.db2.gz IMIGIOJDMNKNLS-RQJHMYQMSA-N 0 0 198.624 2.782 10 30 AFEERN CCCCC[C@@H](O)/C=C1\CCCC1=O 308634631 573572652 /nfs/dbraw/zinc/57/26/52/573572652.db2.gz XSDNVXMBHVTRCB-PBQZMEPESA-N 0 0 196.290 2.607 10 30 AFEERN CCc1ccc([C@@H]2C[C@H]2C=O)cc1 75422184 573570511 /nfs/dbraw/zinc/57/05/11/573570511.db2.gz QXKHOSXGPYCBFS-RYUDHWBXSA-N 0 0 174.243 2.551 10 30 AFEERN O=C[C@@H]1C[C@H]1c1c(F)cccc1Cl 75422267 573570527 /nfs/dbraw/zinc/57/05/27/573570527.db2.gz IMIGIOJDMNKNLS-NKWVEPMBSA-N 0 0 198.624 2.782 10 30 AFEERN C=CCCC(=O)[C@]1(C)C[C@H]1C 238444256 573570530 /nfs/dbraw/zinc/57/05/30/573570530.db2.gz SHRDTHBREYKMAK-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@]1(C)C(=O)CCC[C@H]1C 238443982 573570546 /nfs/dbraw/zinc/57/05/46/573570546.db2.gz KNAFUWRHZANCMR-KOLCDFICSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H](CC=O)c1ccc(CF)cc1 258064372 573570567 /nfs/dbraw/zinc/57/05/67/573570567.db2.gz SZRBDRJWKBUSRX-SECBINFHSA-N 0 0 180.222 2.849 10 30 AFEERN C=C1CCCC=CCCC#C[C@H](O)C1 308625278 573570712 /nfs/dbraw/zinc/57/07/12/573570712.db2.gz KFQZYTQTLRBMRF-ZDUSSCGKSA-N 0 0 190.286 2.817 10 30 AFEERN Cc1cccc(NCCCS)c1 258781860 573570714 /nfs/dbraw/zinc/57/07/14/573570714.db2.gz ZWVWRZSHVNTZTP-UHFFFAOYSA-N 0 0 181.304 2.727 10 30 AFEERN CCc1ccc([C@@H]2C[C@@H]2C=O)cc1 75422182 573570715 /nfs/dbraw/zinc/57/07/15/573570715.db2.gz QXKHOSXGPYCBFS-NEPJUHHUSA-N 0 0 174.243 2.551 10 30 AFEERN Cc1ccc(N[C@H](C)CS)cc1 238444221 573570726 /nfs/dbraw/zinc/57/07/26/573570726.db2.gz ZSJWICNPILLDAM-SECBINFHSA-N 0 0 181.304 2.725 10 30 AFEERN C=C(C)[C@@H]1C(=O)CCC[C@H]1C 238444288 573570901 /nfs/dbraw/zinc/57/09/01/573570901.db2.gz JRZRAVAVGKAPKN-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc(N(C)[C@H](C)C#N)c(C)c1 258780171 573570952 /nfs/dbraw/zinc/57/09/52/573570952.db2.gz LIJOOBLAPNRSIP-LLVKDONJSA-N 0 0 188.274 2.652 10 30 AFEERN C=CCC(=O)[C@H](C)C=C(C)C 238433678 573570970 /nfs/dbraw/zinc/57/09/70/573570970.db2.gz ZJFFJGDUKPHFRJ-SECBINFHSA-N 0 0 152.237 2.734 10 30 AFEERN SCCc1ccc2ncccc2c1 259113941 573571071 /nfs/dbraw/zinc/57/10/71/573571071.db2.gz GNSIWQRKBTYENM-UHFFFAOYSA-N 0 0 189.283 2.707 10 30 AFEERN C=C[C@@]1(C)CC(=O)CC[C@H]1C 238433655 573571255 /nfs/dbraw/zinc/57/12/55/573571255.db2.gz KGKZMWOYTRDJPH-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1CC(=O)CC[C@@H](C)C1 238433509 573572736 /nfs/dbraw/zinc/57/27/36/573572736.db2.gz NSFBTSZYXSYUSG-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H]1CCCC(=O)[C@H](C)[C@@H]1CCC=O 238444244 573571341 /nfs/dbraw/zinc/57/13/41/573571341.db2.gz RLKJLIKOXCXHQT-GMTAPVOTSA-N 0 0 196.290 2.607 10 30 AFEERN C=C[C@]1(C)CC(=O)CC[C@H]1C 238433417 573571352 /nfs/dbraw/zinc/57/13/52/573571352.db2.gz KGKZMWOYTRDJPH-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1C[C@H]2CCC(=O)[C@H](C)[C@@]2(C)C1 238433580 573571363 /nfs/dbraw/zinc/57/13/63/573571363.db2.gz WVMOECGLSCNRAX-HOSYDEDBSA-N 0 0 178.275 2.958 10 30 AFEERN C#CCc1[nH]c2ccccc2c1C 238444057 573571454 /nfs/dbraw/zinc/57/14/54/573571454.db2.gz QNCCZISXYAZVMX-UHFFFAOYSA-N 0 0 169.227 2.652 10 30 AFEERN O=C[C@H]1C[C@H]1c1c(F)cccc1Cl 75422265 573571636 /nfs/dbraw/zinc/57/16/36/573571636.db2.gz IMIGIOJDMNKNLS-RNFRBKRXSA-N 0 0 198.624 2.782 10 30 AFEERN C=CC[C@@H]1CC(=O)CC[C@@H](C)C1 238433191 573571760 /nfs/dbraw/zinc/57/17/60/573571760.db2.gz NSFBTSZYXSYUSG-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(C)c2oc(C#N)cc2c1N 259514532 573571766 /nfs/dbraw/zinc/57/17/66/573571766.db2.gz WOOGVVNCDHGIPX-UHFFFAOYSA-N 0 0 186.214 2.504 10 30 AFEERN C=C/C=C/C[C@@H]1CCC(O)=C(C=O)C1 308635089 573572767 /nfs/dbraw/zinc/57/27/67/573572767.db2.gz YAPKCJRMXQCFCX-ISHZOPKDSA-N 0 0 192.258 2.930 10 30 AFEERN Cc1cc(C#N)ccc1Nn1cccc1 308634772 573572776 /nfs/dbraw/zinc/57/27/76/573572776.db2.gz GBLOQEISPXPGRI-UHFFFAOYSA-N 0 0 197.241 2.543 10 30 AFEERN N#C[C@H]1C[C@@H]1c1ccc(F)cc1F 259114037 573572037 /nfs/dbraw/zinc/57/20/37/573572037.db2.gz KSKUEPBPWXOHHC-MUWHJKNJSA-N 0 0 179.169 2.592 10 30 AFEERN CC[C@H](C)CON=C1CC2(CC2)C1 393537430 573572039 /nfs/dbraw/zinc/57/20/39/573572039.db2.gz BGDMFOCJGRYSQN-VIFPVBQESA-N 0 0 181.279 2.979 10 30 AFEERN O=C[C@@H]1C[C@@H]1c1c(F)cccc1Cl 75422268 573572144 /nfs/dbraw/zinc/57/21/44/573572144.db2.gz IMIGIOJDMNKNLS-BQBZGAKWSA-N 0 0 198.624 2.782 10 30 AFEERN C=CC(=C)C[C@@H](O)[C@@H](C)CC 238272434 573572264 /nfs/dbraw/zinc/57/22/64/573572264.db2.gz DSCDQPGDYNWTNV-VHSXEESVSA-N 0 0 154.253 2.526 10 30 AFEERN C=CC[C@H](O)[C@@H]1CCC=C[C@@H]1C 238444133 573572265 /nfs/dbraw/zinc/57/22/65/573572265.db2.gz OJVKVNIREAMNGR-AXFHLTTASA-N 0 0 166.264 2.526 10 30 AFEERN CCN(CC)c1cc(C)cc(C#N)c1 306298373 573572266 /nfs/dbraw/zinc/57/22/66/573572266.db2.gz JUYJOUBIORICDP-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN C=C/C=C\C[C@@H]1CCC(O)=C(C=O)C1 308635092 573572353 /nfs/dbraw/zinc/57/23/53/573572353.db2.gz YAPKCJRMXQCFCX-ZYTQCBTKSA-N 0 0 192.258 2.930 10 30 AFEERN C=CCC[C@H]1CCCC(=O)[C@H]1C 238443990 573572393 /nfs/dbraw/zinc/57/23/93/573572393.db2.gz SIAYSIDGVNAQDS-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN N#CCc1coc2c(F)cc(F)cc12 259514403 573572467 /nfs/dbraw/zinc/57/24/67/573572467.db2.gz WKMVNCOYNFTKGF-UHFFFAOYSA-N 0 0 193.152 2.777 10 30 AFEERN C=C/C=C\C[C@@H]1CCC(O)=C(C=O)C1 308635090 573572642 /nfs/dbraw/zinc/57/26/42/573572642.db2.gz YAPKCJRMXQCFCX-KBHOQXTGSA-N 0 0 192.258 2.930 10 30 AFEERN Cc1nccc2ccc(CCC=O)cc12 258064752 573572811 /nfs/dbraw/zinc/57/28/11/573572811.db2.gz HUIWHFQAIHAOLV-UHFFFAOYSA-N 0 0 199.253 2.675 10 30 AFEERN C[C@@H](CC=O)c1ccc(F)c(F)c1 258064728 573572860 /nfs/dbraw/zinc/57/28/60/573572860.db2.gz LQGZQBHJJKGYNY-ZETCQYMHSA-N 0 0 184.185 2.657 10 30 AFEERN Cc1ccc([C@H](C)C=O)cc1Cl 257832400 573574846 /nfs/dbraw/zinc/57/48/46/573574846.db2.gz KCFSKXVIVGJYNO-MRVPVSSYSA-N 0 0 182.650 2.951 10 30 AFEERN Cc1ccc2c(c1)[nH]c1cc(C#N)[nH]c12 259514374 573573900 /nfs/dbraw/zinc/57/39/00/573573900.db2.gz AIFUUFMVCOLVCQ-UHFFFAOYSA-N 0 0 195.225 2.829 10 30 AFEERN C=C(C(F)(F)F)[C@@](C)(O)CC(C)C 393537461 573573939 /nfs/dbraw/zinc/57/39/39/573573939.db2.gz JTOPPAFKYIIRDE-QMMMGPOBSA-N 0 0 196.212 2.902 10 30 AFEERN C=C(C)[C@@H]1[C@@H](C)C=CC[C@@H]1C(C)=O 238445068 573574355 /nfs/dbraw/zinc/57/43/55/573574355.db2.gz XVVMVSAIDXWHOO-MVWJERBFSA-N 0 0 178.275 2.980 10 30 AFEERN CCCc1cccc([C@H](F)C=O)c1 257832382 573574382 /nfs/dbraw/zinc/57/43/82/573574382.db2.gz KBUNMQCALHBPMN-LLVKDONJSA-N 0 0 180.222 2.849 10 30 AFEERN N#C[C@@H]1C[C@H]1c1ccc(F)cc1F 259114034 573574408 /nfs/dbraw/zinc/57/44/08/573574408.db2.gz KSKUEPBPWXOHHC-IMTBSYHQSA-N 0 0 179.169 2.592 10 30 AFEERN C[C@@H]1CC[C@@H]2C[C@@H](C)C(=O)C=C2C1 238445173 573576052 /nfs/dbraw/zinc/57/60/52/573576052.db2.gz KMBZBACONSUHGR-OPRDCNLKSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@@]1(C)C(=O)CCC[C@H]1C 238444487 573576062 /nfs/dbraw/zinc/57/60/62/573576062.db2.gz KNAFUWRHZANCMR-MWLCHTKSSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=C2C(=O)[C@H](C)CC[C@@H]2CC1 238444842 573576078 /nfs/dbraw/zinc/57/60/78/573576078.db2.gz WOCJPJMWQOAFIZ-BDAKNGLRSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cc(C)c(NCCS)cc1C 258793199 573576152 /nfs/dbraw/zinc/57/61/52/573576152.db2.gz CRIVHSSXMGQKTO-UHFFFAOYSA-N 0 0 195.331 2.954 10 30 AFEERN C=C[C@H](CC)OC(=O)CC(C)(C)C 308405769 573576170 /nfs/dbraw/zinc/57/61/70/573576170.db2.gz JNTDCKDPZLVTGR-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN CC(C)n1ncc([C@@H](C)C#N)c1Cl 214920931 573576435 /nfs/dbraw/zinc/57/64/35/573576435.db2.gz GKCLYAYVUQDUSO-ZETCQYMHSA-N 0 0 197.669 2.744 10 30 AFEERN C[C@H]1CCC2=CC(=O)C[C@H]2CC1 238444555 573577737 /nfs/dbraw/zinc/57/77/37/573577737.db2.gz WXFVNVLYIAMZFL-WCBMZHEXSA-N 0 0 164.248 2.712 10 30 AFEERN C#C[C@](C)(c1ccccc1)c1ccc[nH]1 238475239 573579662 /nfs/dbraw/zinc/57/96/62/573579662.db2.gz PXQHDVSGHXEWRW-CQSZACIVSA-N 0 0 195.265 2.954 10 30 AFEERN CC[C@H](C#N)CC1CCC1 259519770 573584614 /nfs/dbraw/zinc/58/46/14/573584614.db2.gz VSDWRTKHDWBUSE-QMMMGPOBSA-N 0 0 137.226 2.726 10 30 AFEERN C=CC[C@H]1CC[C@H](C)CC(=O)C1 238440699 573578151 /nfs/dbraw/zinc/57/81/51/573578151.db2.gz QNXUJTLZRFSPIP-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc(F)cc(C2=CC(=O)CC2)c1 86693959 573578294 /nfs/dbraw/zinc/57/82/94/573578294.db2.gz HSZHLIGGQAQGDX-UHFFFAOYSA-N 0 0 190.217 2.880 10 30 AFEERN C=CC[C@H]1CC[C@H](C)C(=O)C1 238440716 573578303 /nfs/dbraw/zinc/57/83/03/573578303.db2.gz SSJVXEBTZYRGIN-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CCC2=C(C1)[C@H](C)CC2=O 238440580 573578453 /nfs/dbraw/zinc/57/84/53/573578453.db2.gz UAOAMBDPJPMYDO-HTQZYQBOSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)CC[C@H]1CC[C@H](C)C1=O 238441018 573578591 /nfs/dbraw/zinc/57/85/91/573578591.db2.gz DSNYNTNAUQAOFP-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)C[C@@]1(C=O)C(C)=CCC[C@H]1C 238441362 573578698 /nfs/dbraw/zinc/57/86/98/573578698.db2.gz XXFVZQYYRIJSIF-ZYHUDNBSSA-N 0 0 194.274 2.527 10 30 AFEERN C/C(=N\OC(C)(C)C)C(C)C 144339151 573578846 /nfs/dbraw/zinc/57/88/46/573578846.db2.gz NXQHFJINAAZKJM-CSKARUKUSA-N 0 0 157.257 2.833 10 30 AFEERN C[C@@H]1O[C@@H]1c1c[nH]c2ccccc12 258792318 573578867 /nfs/dbraw/zinc/57/88/67/573578867.db2.gz MQLDDTQSIFZZOC-CPCISQLKSA-N 0 0 173.215 2.628 10 30 AFEERN C[C@H](C=O)C1=CCCc2ccccc21 238441024 573578870 /nfs/dbraw/zinc/57/88/70/573578870.db2.gz ITTKKBIQLUWOFG-SNVBAGLBSA-N 0 0 186.254 2.851 10 30 AFEERN CC1(C=NOCCC2CC2)CCC1 308401508 573578907 /nfs/dbraw/zinc/57/89/07/573578907.db2.gz IQKKQGDQGZGJIR-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C[C@H]1CC(=O)C=C2C[C@H](C)CC[C@@H]21 238445569 573579883 /nfs/dbraw/zinc/57/98/83/573579883.db2.gz VNBAUCJJYBKKPL-VDDIYKPWSA-N 0 0 178.275 2.958 10 30 AFEERN C/C=C/C(=O)CCC(C)C 144375570 573579032 /nfs/dbraw/zinc/57/90/32/573579032.db2.gz IEGBZPASYYMRIS-SNAWJCMRSA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@H](C)[C@H](O)c1ccc(F)cc1 144332044 573579077 /nfs/dbraw/zinc/57/90/77/573579077.db2.gz CPLZIILGHWQZIQ-KWQFWETISA-N 0 0 180.222 2.681 10 30 AFEERN N#CCc1sc2c(c1Cl)CCC2 214921404 573579126 /nfs/dbraw/zinc/57/91/26/573579126.db2.gz CLEIKZMXMAHPCX-UHFFFAOYSA-N 0 0 197.690 2.956 10 30 AFEERN C[C@@H]1CCC2=CCCC[C@]21C=O 238440914 573579147 /nfs/dbraw/zinc/57/91/47/573579147.db2.gz PTAZSORUCMLMJP-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H]1CCC2=C1CCCCC2=O 238440724 573579301 /nfs/dbraw/zinc/57/93/01/573579301.db2.gz LSEXEXZFPSTVAN-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN CC(=C1SCCS1)[C@H](C)C=O 238440833 573579359 /nfs/dbraw/zinc/57/93/59/573579359.db2.gz UXBQQMLGAPZIMG-ZCFIWIBFSA-N 0 0 188.317 2.533 10 30 AFEERN C=C(C)CCOC(=O)C(CC)CC 308401730 573579405 /nfs/dbraw/zinc/57/94/05/573579405.db2.gz HIIZUBZJCUZJMM-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN CCc1nc(C)c([C@H](C#N)C(C)C)o1 259517319 573579553 /nfs/dbraw/zinc/57/95/53/573579553.db2.gz ANBBSNYFLREYKQ-SECBINFHSA-N 0 0 192.262 2.809 10 30 AFEERN Cc1cc(F)cc(C[C@H](C)C=O)c1 86693941 573579577 /nfs/dbraw/zinc/57/95/77/573579577.db2.gz HQGDSGCRNIRHPZ-VIFPVBQESA-N 0 0 180.222 2.512 10 30 AFEERN CC(C)n1ncc([C@H](C)C#N)c1Cl 214920981 573579604 /nfs/dbraw/zinc/57/96/04/573579604.db2.gz GKCLYAYVUQDUSO-SSDOTTSWSA-N 0 0 197.669 2.744 10 30 AFEERN N#Cc1c(C2CC2)cn2ccccc12 259517701 573579620 /nfs/dbraw/zinc/57/96/20/573579620.db2.gz WWVZJTUAMXBXGR-UHFFFAOYSA-N 0 0 182.226 2.688 10 30 AFEERN CC1=CCC[C@@H](C)[C@@]12C=CC(=O)C2 238441425 573579659 /nfs/dbraw/zinc/57/96/59/573579659.db2.gz GJUUCRAFOIFWFU-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)=C[C@H](C)C[C@@H](C)C=O 238445522 573579719 /nfs/dbraw/zinc/57/97/19/573579719.db2.gz LXINHZQBQOZOSC-VHSXEESVSA-N 0 0 154.253 2.814 10 30 AFEERN C/C(=C\[C@H](C)C=O)c1ccccc1 144336641 573579792 /nfs/dbraw/zinc/57/97/92/573579792.db2.gz UALGPJZFAQHTKB-NGPGYTDTSA-N 0 0 174.243 2.925 10 30 AFEERN CC1=CCC[C@@H](C)[C@]12CC=CC2=O 238441472 573579796 /nfs/dbraw/zinc/57/97/96/573579796.db2.gz XLGLZAKRALOUKF-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cc(F)cc(C[C@@H](C)C=O)c1 86693939 573579851 /nfs/dbraw/zinc/57/98/51/573579851.db2.gz HQGDSGCRNIRHPZ-SECBINFHSA-N 0 0 180.222 2.512 10 30 AFEERN C[C@@H]1C=C[C@@H]([C@@H](C)CC=O)CC1 238445618 573579852 /nfs/dbraw/zinc/57/98/52/573579852.db2.gz QNOPEYBFROBYLR-OUAUKWLOSA-N 0 0 166.264 2.814 10 30 AFEERN C/C=C\C(=O)c1cc(C)cc(C)c1O 144421819 573579899 /nfs/dbraw/zinc/57/98/99/573579899.db2.gz KJKVMOKKHKVFQP-PLNGDYQASA-N 0 0 190.242 2.768 10 30 AFEERN C[C@@H](C#N)c1nc2c(o1)CCCCC2 82390395 573580002 /nfs/dbraw/zinc/58/00/02/573580002.db2.gz SFYOEXRIPYFIJL-QMMMGPOBSA-N 0 0 190.246 2.571 10 30 AFEERN C/C(=C\[C@@H](C)C=O)c1ccccc1 144336233 573580051 /nfs/dbraw/zinc/58/00/51/573580051.db2.gz UALGPJZFAQHTKB-MXBGMFSPSA-N 0 0 174.243 2.925 10 30 AFEERN C=C[C@@H]1CC[C@@H](C)C(=O)C1(C)C 238441198 573580166 /nfs/dbraw/zinc/58/01/66/573580166.db2.gz LRXYBDLIHOXOGA-RKDXNWHRSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@H](C=O)C1C[C@H]2CC=CC[C@@H]2C1 238441127 573580283 /nfs/dbraw/zinc/58/02/83/573580283.db2.gz YBVNQYSJDDNXCE-GMTAPVOTSA-N 0 0 178.275 2.814 10 30 AFEERN Cc1cccc(N(C)C(C)(C)C#N)c1 258790397 573580290 /nfs/dbraw/zinc/58/02/90/573580290.db2.gz MGFHGRFLMFBBEZ-UHFFFAOYSA-N 0 0 188.274 2.733 10 30 AFEERN C=CC(=O)CC(CC)CC 144326004 573580313 /nfs/dbraw/zinc/58/03/13/573580313.db2.gz NKGVBAHIGVLKOM-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN CC(C)n1ncc(CCC#N)c1Cl 214921051 573580333 /nfs/dbraw/zinc/58/03/33/573580333.db2.gz WNNHEBFDJKNVOW-UHFFFAOYSA-N 0 0 197.669 2.574 10 30 AFEERN C[C@@H]1C[C@H]2C(=CC1=O)CC[C@H]2C 238440862 573580415 /nfs/dbraw/zinc/58/04/15/573580415.db2.gz BZRFLSLTAWHCGO-NQMVMOMDSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cccc(-c2cc[nH]c2C#N)c1 259615258 573580442 /nfs/dbraw/zinc/58/04/42/573580442.db2.gz GLBWWYULFKEEOH-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN C[C@@H]1CCC2=CCC=CC(=O)C[C@@H]21 238440892 573580459 /nfs/dbraw/zinc/58/04/59/573580459.db2.gz MWZSMXPIJVYTDT-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccc2cc([C@@H](N)C#N)ccc2c1 259115660 573582887 /nfs/dbraw/zinc/58/28/87/573582887.db2.gz RKFOXWNIAASIDP-ZDUSSCGKSA-N 0 0 196.253 2.672 10 30 AFEERN C[C@H]1CC(=O)C2=C1C[C@H](C)CC2 238440565 573580546 /nfs/dbraw/zinc/58/05/46/573580546.db2.gz UAOAMBDPJPMYDO-SFYZADRCSA-N 0 0 164.248 2.712 10 30 AFEERN N#CC[C@@H]1Cc2[nH]c3ccccc3c2C1 259615373 573580571 /nfs/dbraw/zinc/58/05/71/573580571.db2.gz GXNGTIGOEYGEAT-VIFPVBQESA-N 0 0 196.253 2.796 10 30 AFEERN Cc1ccccc1-c1ccc(C#N)[nH]1 259615345 573580845 /nfs/dbraw/zinc/58/08/45/573580845.db2.gz GLZSHYOCISLKOS-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN CCCCCN=Nc1ccccn1 308402850 573580986 /nfs/dbraw/zinc/58/09/86/573580986.db2.gz HZGGVDPNQMTOHP-UHFFFAOYSA-N 0 0 177.251 2.670 10 30 AFEERN CC(=O)c1cc(C#N)c(CC(C)C)o1 75466073 573581197 /nfs/dbraw/zinc/58/11/97/573581197.db2.gz PCLQYHYHILDQGY-UHFFFAOYSA-N 0 0 191.230 2.552 10 30 AFEERN C=CCCOCCCC(C)(C)C#N 83642751 573581203 /nfs/dbraw/zinc/58/12/03/573581203.db2.gz LMIQFSMBIBJVGU-UHFFFAOYSA-N 0 0 181.279 2.909 10 30 AFEERN C=C[C@H](CC)OC(=O)/C=C\C(C)C 308402863 573581421 /nfs/dbraw/zinc/58/14/21/573581421.db2.gz HZPUBGUQAIRXOX-GQYWMQPJSA-N 0 0 182.263 2.706 10 30 AFEERN CCc1nc(C)c([C@@H](C#N)C(C)C)o1 259517321 573581426 /nfs/dbraw/zinc/58/14/26/573581426.db2.gz ANBBSNYFLREYKQ-VIFPVBQESA-N 0 0 192.262 2.809 10 30 AFEERN CC(=O)[C@]1(CC=O)C(C)=CCC[C@H]1C 238441381 573581560 /nfs/dbraw/zinc/58/15/60/573581560.db2.gz QUNKDFZDTRIWGM-ZYHUDNBSSA-N 0 0 194.274 2.527 10 30 AFEERN N#CC[C@H]1Cc2[nH]c3ccccc3c2C1 259615368 573581572 /nfs/dbraw/zinc/58/15/72/573581572.db2.gz GXNGTIGOEYGEAT-SECBINFHSA-N 0 0 196.253 2.796 10 30 AFEERN N#CCc1c2c[nH]ccc-2nc1C1CC1 259517446 573581581 /nfs/dbraw/zinc/58/15/81/573581581.db2.gz APEXKKNRWMXJOO-UHFFFAOYSA-N 0 0 197.241 2.506 10 30 AFEERN C=C1CCC[C@@H](C)[C@H]1C 78691288 573581672 /nfs/dbraw/zinc/58/16/72/573581672.db2.gz PGVAAZBALQVJJW-BDAKNGLRSA-N 0 0 124.227 2.999 10 30 AFEERN CC(C)(C#N)NCC(C)(C)C1CCC1 258805782 573581780 /nfs/dbraw/zinc/58/17/80/573581780.db2.gz NTGUYGRELBFTOR-UHFFFAOYSA-N 0 0 194.322 2.704 10 30 AFEERN C=C1C[C@H](C(C)=O)[C@@H](C)C=C1C 238441281 573581801 /nfs/dbraw/zinc/58/18/01/573581801.db2.gz IHZLAGXIHFEHBN-ONGXEEELSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H](c1ccccc1)C(F)(F)C=O 238440469 573581888 /nfs/dbraw/zinc/58/18/88/573581888.db2.gz UVHGKJYOZOTVTQ-QMMMGPOBSA-N 0 0 184.185 2.624 10 30 AFEERN COc1ccc(SCC#N)cc1C 259115752 573582083 /nfs/dbraw/zinc/58/20/83/573582083.db2.gz RLMDLTYSPAMNEM-UHFFFAOYSA-N 0 0 193.271 2.619 10 30 AFEERN C[C@@]12CCC[C@H]1C(=O)C1=C2CCC1 238441460 573582133 /nfs/dbraw/zinc/58/21/33/573582133.db2.gz AQRSUSVBZLXEHX-JQWIXIFHSA-N 0 0 176.259 2.856 10 30 AFEERN C[C@H](C=O)[C@@H](C)C(C)(C)C 238441331 573582167 /nfs/dbraw/zinc/58/21/67/573582167.db2.gz QHIYWEKIXDBXBV-HTQZYQBOSA-N 0 0 142.242 2.504 10 30 AFEERN CC1=CC(=O)C=C(C)[C@H](C)[C@@H]1C 238441271 573582331 /nfs/dbraw/zinc/58/23/31/573582331.db2.gz GDEUVQIAUQYTLU-AOOOYVTPSA-N 0 0 164.248 2.734 10 30 AFEERN C=C1C[C@@H](C(C)=O)[C@@H](C)C=C1C 238441293 573582373 /nfs/dbraw/zinc/58/23/73/573582373.db2.gz IHZLAGXIHFEHBN-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H]1CCC2=CCCC[C@@]21C=O 238440928 573582419 /nfs/dbraw/zinc/58/24/19/573582419.db2.gz PTAZSORUCMLMJP-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C=C\C(C)C 308402861 573582674 /nfs/dbraw/zinc/58/26/74/573582674.db2.gz HZPUBGUQAIRXOX-DMEOUFDRSA-N 0 0 182.263 2.706 10 30 AFEERN C=C1C=C[C@H](C)[C@@](C)(C(C)=O)C1 238442554 573583036 /nfs/dbraw/zinc/58/30/36/573583036.db2.gz PZUQSXPIZSZTNX-ONGXEEELSA-N 0 0 164.248 2.734 10 30 AFEERN C=C1C[C@@H]2[C@H](C)C(=O)CC[C@@]2(C)C1 238441807 573583043 /nfs/dbraw/zinc/58/30/43/573583043.db2.gz KOHIKHJXGIXWBV-UMNHJUIQSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@H]1CC[C@@H](C)C(=O)C1 238441976 573583052 /nfs/dbraw/zinc/58/30/52/573583052.db2.gz SSJVXEBTZYRGIN-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)(C)C1(C(C)(C)C#N)COC1 259116641 573583069 /nfs/dbraw/zinc/58/30/69/573583069.db2.gz GHYWMZVCFSMCLN-UHFFFAOYSA-N 0 0 181.279 2.599 10 30 AFEERN C[C@@H]1CCC=CC(=O)C1(C)C 238442748 573583133 /nfs/dbraw/zinc/58/31/33/573583133.db2.gz HZMKXEWMRPMCPR-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C\COc1ccc(C)cc1C#N 308402272 573583294 /nfs/dbraw/zinc/58/32/94/573583294.db2.gz WFDTYIIOZYYWKT-ARJAWSKDSA-N 0 0 187.242 2.822 10 30 AFEERN C=C1C(=O)C[C@]2(C)CCC[C@]12C 238442831 573583344 /nfs/dbraw/zinc/58/33/44/573583344.db2.gz ZIAKFHXGJJVCRA-WDEREUQCSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc2nccc(CCC#N)c2c1 259518212 573584440 /nfs/dbraw/zinc/58/44/40/573584440.db2.gz CUVNHCGDVKXJKY-UHFFFAOYSA-N 0 0 196.253 2.999 10 30 AFEERN Cc1ccc2cc([C@H](N)C#N)ccc2c1 259115658 573584477 /nfs/dbraw/zinc/58/44/77/573584477.db2.gz RKFOXWNIAASIDP-CYBMUJFWSA-N 0 0 196.253 2.672 10 30 AFEERN Cc1ccc2ncc(CCC#N)cc2c1 259516394 573584918 /nfs/dbraw/zinc/58/49/18/573584918.db2.gz CQKOBZNQSLCTML-UHFFFAOYSA-N 0 0 196.253 2.999 10 30 AFEERN CC(=NO)c1cc2cc(F)ccc2o1 308403582 573584937 /nfs/dbraw/zinc/58/49/37/573584937.db2.gz FDUSDIKFAJDWHL-UHFFFAOYSA-N 0 0 193.177 2.770 10 30 AFEERN C[C@@H]1CCC=C2C(=O)CC[C@]21C 238442490 573584958 /nfs/dbraw/zinc/58/49/58/573584958.db2.gz IDUCIUHNAJCVMI-KCJUWKMLSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)C[C@]1(C=O)C(C)=CCC[C@H]1C 238441681 573585030 /nfs/dbraw/zinc/58/50/30/573585030.db2.gz XXFVZQYYRIJSIF-PWSUYJOCSA-N 0 0 194.274 2.527 10 30 AFEERN C=C[C@@H]1[C@H](C)C(=O)CCC1(C)C 238442520 573585171 /nfs/dbraw/zinc/58/51/71/573585171.db2.gz KDLWOLXOFSATQD-DTWKUNHWSA-N 0 0 166.264 2.814 10 30 AFEERN C=C[C@@H]1[C@H](C)[C@@H]1C(=O)C(C)(C)C 238442587 573585395 /nfs/dbraw/zinc/58/53/95/573585395.db2.gz OYHBCRGTIPEROZ-YIZRAAEISA-N 0 0 166.264 2.670 10 30 AFEERN C=C(C)C[C@@H]1CC[C@@H](C)CC1=O 238441603 573587053 /nfs/dbraw/zinc/58/70/53/573587053.db2.gz LMWSAPPFGSCDOB-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN CC#Cc1ccc(C)cc1C(C)=O 144446456 573587086 /nfs/dbraw/zinc/58/70/86/573587086.db2.gz ATLDULDLHYIDAP-UHFFFAOYSA-N 0 0 172.227 2.569 10 30 AFEERN CC(C)Cc1ccc(NCC#N)cc1 258800571 573586577 /nfs/dbraw/zinc/58/65/77/573586577.db2.gz NIQTUELZKLWDJN-UHFFFAOYSA-N 0 0 188.274 2.821 10 30 AFEERN CSc1ccccc1[C@H](F)C=O 257833652 573586585 /nfs/dbraw/zinc/58/65/85/573586585.db2.gz KLLOXBDNYVZZLT-MRVPVSSYSA-N 0 0 184.235 2.618 10 30 AFEERN C=C(C)CC[C@@H]1CC[C@@H](C)C1=O 238442256 573586613 /nfs/dbraw/zinc/58/66/13/573586613.db2.gz DSNYNTNAUQAOFP-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCN(CC(F)(F)F)C1CCC1 308404323 573586617 /nfs/dbraw/zinc/58/66/17/573586617.db2.gz KOFYFHTZCTYERU-UHFFFAOYSA-N 0 0 193.212 2.589 10 30 AFEERN C=C1C=C[C@H](C)[C@](C)(C(C)=O)C1 238442535 573586621 /nfs/dbraw/zinc/58/66/21/573586621.db2.gz PZUQSXPIZSZTNX-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H]1CCC=C2CC[C@H](C=O)[C@@]21C 238442691 573586640 /nfs/dbraw/zinc/58/66/40/573586640.db2.gz MUEHPYHPMIRILF-YUSALJHKSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cccc(Cc2cc[nH]c2C#N)c1 259615378 573586853 /nfs/dbraw/zinc/58/68/53/573586853.db2.gz GXPBHFMFHJOKLS-UHFFFAOYSA-N 0 0 196.253 2.786 10 30 AFEERN C=C(CC)c1ccc(O)cc1 144302951 573586855 /nfs/dbraw/zinc/58/68/55/573586855.db2.gz OCPPVWQQXKOCMP-UHFFFAOYSA-N 0 0 148.205 2.815 10 30 AFEERN CC1=C[C@@H]2[C@H](C)C(=O)C=C[C@@]2(C)C1 238441678 573586931 /nfs/dbraw/zinc/58/69/31/573586931.db2.gz LDIYVPJMHPCTGU-UMNHJUIQSA-N 0 0 176.259 2.734 10 30 AFEERN CC1=C2CC[C@@H]2[C@H](C)C(C)(C)C1=O 238442031 573586959 /nfs/dbraw/zinc/58/69/59/573586959.db2.gz YCIKUZOTJCFVCT-WCBMZHEXSA-N 0 0 178.275 2.958 10 30 AFEERN CCc1ccc(CC=O)cc1Cl 257833654 573587101 /nfs/dbraw/zinc/58/71/01/573587101.db2.gz KLLYLSNVSGUSCG-UHFFFAOYSA-N 0 0 182.650 2.644 10 30 AFEERN CC[C@@H]1CCC1=NN[C@@H](C)C(C)C 308404264 573588167 /nfs/dbraw/zinc/58/81/67/573588167.db2.gz IRGSEKSKHPLCOC-VHSXEESVSA-N 0 0 182.311 2.797 10 30 AFEERN CCCc1cccc(C2(C=O)CC2)c1 257833697 573588377 /nfs/dbraw/zinc/58/83/77/573588377.db2.gz KCRIIMWKGASMEH-UHFFFAOYSA-N 0 0 188.270 2.870 10 30 AFEERN C=C(C)[C@H](OC(C)(C)C)[C@H](O)C(=C)C 308631620 573588462 /nfs/dbraw/zinc/58/84/62/573588462.db2.gz VDCMEHJSRHZIEX-MNOVXSKESA-N 0 0 198.306 2.683 10 30 AFEERN C[C@@H]1CCCC(=O)C2=C1CCC2 238443457 573588578 /nfs/dbraw/zinc/58/85/78/573588578.db2.gz MZRFADUNAYXZQF-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN Cc1ccc([C@@H]2CC[C@@H]2C=O)cc1 257833640 573588610 /nfs/dbraw/zinc/58/86/10/573588610.db2.gz KLBKMMGMWSNEJR-NEPJUHHUSA-N 0 0 174.243 2.688 10 30 AFEERN [N-]=[N+]=Nc1cc(-c2ccco2)[nH]n1 75494786 573589438 /nfs/dbraw/zinc/58/94/38/573589438.db2.gz ZZOZZITZVFOSLM-UHFFFAOYSA-N 0 0 175.151 2.612 10 30 AFEERN C=C(c1ccccc1)[C@@H](C)[C@@H](C)O 238443431 573589542 /nfs/dbraw/zinc/58/95/42/573589542.db2.gz BUAHCRMNCBSQBX-MWLCHTKSSA-N 0 0 176.259 2.717 10 30 AFEERN C=CCCc1ccoc1[C@H](C)[C@@H](C)O 308631633 573589543 /nfs/dbraw/zinc/58/95/43/573589543.db2.gz VFQOUBCQCLBZOL-NXEZZACHSA-N 0 0 194.274 2.883 10 30 AFEERN C=C1CC=C[C@H](C)[C@@]12CCCC2=O 238443350 573589578 /nfs/dbraw/zinc/58/95/78/573589578.db2.gz QVHSAIDXDGPOOF-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN CSc1ccccc1[C@@H](F)C=O 257833653 573589584 /nfs/dbraw/zinc/58/95/84/573589584.db2.gz KLLOXBDNYVZZLT-QMMMGPOBSA-N 0 0 184.235 2.618 10 30 AFEERN N#C[C@H](C(F)F)C1CCCCC1 257833649 573589864 /nfs/dbraw/zinc/58/98/64/573589864.db2.gz KLGMMRLPQSOVBA-QMMMGPOBSA-N 0 0 173.206 2.972 10 30 AFEERN C[C@@H]1CCC=C[C@@]2(C)CC(=O)C=C12 238443007 573589883 /nfs/dbraw/zinc/58/98/83/573589883.db2.gz QMKUDURXPBXRLQ-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN CC[C@H]1CCC1=NN[C@H](C)C(C)C 308404266 573589941 /nfs/dbraw/zinc/58/99/41/573589941.db2.gz IRGSEKSKHPLCOC-ZJUUUORDSA-N 0 0 182.311 2.797 10 30 AFEERN N#CC[C@@H]1CC[C@H](c2ccc(N)o2)C1 259520809 573590048 /nfs/dbraw/zinc/59/00/48/573590048.db2.gz AXKGBSONALLYLZ-IUCAKERBSA-N 0 0 190.246 2.659 10 30 AFEERN C[C@@H]1c2ccccc2CC[C@@H]1CC=O 238443801 573590063 /nfs/dbraw/zinc/59/00/63/573590063.db2.gz RLOXSIQAALNRSV-WDEREUQCSA-N 0 0 188.270 2.942 10 30 AFEERN C=CC[C@H](O)[C@H]1CCC=C[C@@H]1C 238443771 573590306 /nfs/dbraw/zinc/59/03/06/573590306.db2.gz OJVKVNIREAMNGR-DCAQKATOSA-N 0 0 166.264 2.526 10 30 AFEERN C[C@@H]1CCC=C[C@]2(C)CC(=O)C=C12 238443168 573590263 /nfs/dbraw/zinc/59/02/63/573590263.db2.gz QMKUDURXPBXRLQ-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H]1[C@H](C=O)C(C)(C)C1(C)C 238456535 573600461 /nfs/dbraw/zinc/60/04/61/573600461.db2.gz FGCRAVWMBOYPGB-SFYZADRCSA-N 0 0 154.253 2.504 10 30 AFEERN CC(C)=C1C(=O)CCC[C@H]1C 238443440 573591298 /nfs/dbraw/zinc/59/12/98/573591298.db2.gz CVQLXAHBFSPKPM-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1csc2ccc(CC=O)cc12 258063972 573591118 /nfs/dbraw/zinc/59/11/18/573591118.db2.gz LYIYCKQTQWLKQE-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN C[C@@H]1CCCC(=O)C2=CCC[C@H]21 238443476 573591190 /nfs/dbraw/zinc/59/11/90/573591190.db2.gz SZKUTNJNQVPZTN-BDAKNGLRSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1c(C#N)cnc2cc(F)ccc12 257833634 573591223 /nfs/dbraw/zinc/59/12/23/573591223.db2.gz KKHMDEJVNXWIHB-UHFFFAOYSA-N 0 0 186.189 2.554 10 30 AFEERN C[C@H]1[C@@H](CC=O)CCC1(C)C 238443784 573591349 /nfs/dbraw/zinc/59/13/49/573591349.db2.gz IQVNPNPWXMCACK-DTWKUNHWSA-N 0 0 154.253 2.648 10 30 AFEERN C=C1CC=C[C@H](C)[C@]12CCCC2=O 238443339 573591993 /nfs/dbraw/zinc/59/19/93/573591993.db2.gz QVHSAIDXDGPOOF-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CO[C@H](C#N)c1ccc(C(F)F)cc1 124704960 573591597 /nfs/dbraw/zinc/59/15/97/573591597.db2.gz ZEENSBUQAMHNNC-SECBINFHSA-N 0 0 197.184 2.835 10 30 AFEERN C=CC[C@@H]1CC(=O)CCC[C@H]1C 238443626 573591649 /nfs/dbraw/zinc/59/16/49/573591649.db2.gz QOUOLIIPZIUMEY-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1nc2cc([C@H](C)S)ccc2[nH]1 259136088 573591842 /nfs/dbraw/zinc/59/18/42/573591842.db2.gz HMTPGFTYIOYVMV-LURJTMIESA-N 0 0 192.287 2.862 10 30 AFEERN C[C@H]1C=CC2=CC(=O)CCC[C@]21C 238443117 573591852 /nfs/dbraw/zinc/59/18/52/573591852.db2.gz UENMRSVZQVXKSV-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cccc(SCS)c1 259135549 573591878 /nfs/dbraw/zinc/59/18/78/573591878.db2.gz DEHJVYLPXDMNSZ-UHFFFAOYSA-N 0 0 170.302 2.974 10 30 AFEERN C[C@H](C=O)[C@]1(C)C=CCCC1 238442994 573591955 /nfs/dbraw/zinc/59/19/55/573591955.db2.gz RNKLMFWEYPONLN-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CC(=O)C=C[C@@H]2CCC[C@@H]2C1 238476125 573593849 /nfs/dbraw/zinc/59/38/49/573593849.db2.gz LLKFIZIMHKBNBS-GARJFASQSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@@H]1C[C@H](C(=C)C)CC(=O)[C@@H]1C 238456360 573595007 /nfs/dbraw/zinc/59/50/07/573595007.db2.gz RMKKSTKKOPUZKR-MXWKQRLJSA-N 0 0 178.275 2.980 10 30 AFEERN N#CC[C@@H](O)c1ccc(C(F)F)cc1 124711835 573593701 /nfs/dbraw/zinc/59/37/01/573593701.db2.gz YQPQNCINXUXTMT-SECBINFHSA-N 0 0 197.184 2.571 10 30 AFEERN N#C[C@@H]1CCc2c([nH]c3ccccc23)C1 257833803 573595071 /nfs/dbraw/zinc/59/50/71/573595071.db2.gz KFHPGGYGOBNXBO-SECBINFHSA-N 0 0 196.253 2.796 10 30 AFEERN C=CCO[C@H](/C=C\C[C@@H](O)CC)CC 308632315 573595511 /nfs/dbraw/zinc/59/55/11/573595511.db2.gz VVYXWTRNFVXDIF-KSIQUBBLSA-N 0 0 198.306 2.685 10 30 AFEERN O=C(C1=CCCCC1)c1ccccn1 236392879 573595558 /nfs/dbraw/zinc/59/55/58/573595558.db2.gz CWUGSSPPKJUSEE-UHFFFAOYSA-N 0 0 187.242 2.765 10 30 AFEERN Cc1nc2cc([C@@H](C)S)ccc2[nH]1 259136093 573595616 /nfs/dbraw/zinc/59/56/16/573595616.db2.gz HMTPGFTYIOYVMV-ZCFIWIBFSA-N 0 0 192.287 2.862 10 30 AFEERN CCSc1ccc(NCC#N)cc1 258816671 573595624 /nfs/dbraw/zinc/59/56/24/573595624.db2.gz OUWIPILOMUEDQU-UHFFFAOYSA-N 0 0 192.287 2.734 10 30 AFEERN Cc1ccc2cc(NCC=O)ccc2c1 258814704 573595673 /nfs/dbraw/zinc/59/56/73/573595673.db2.gz FOEKCNPFQGCHTL-UHFFFAOYSA-N 0 0 199.253 2.759 10 30 AFEERN C[C@@H](C=O)CC(Cl)(Cl)Cl 238455007 573595853 /nfs/dbraw/zinc/59/58/53/573595853.db2.gz FVBYYEPVKBHRCO-SCSAIBSYSA-N 0 0 189.469 2.582 10 30 AFEERN CC1=C[C@@](C)(C#N)CCC1 75524966 573595890 /nfs/dbraw/zinc/59/58/90/573595890.db2.gz YHFKGXLJIZOYEH-VIFPVBQESA-N 0 0 135.210 2.646 10 30 AFEERN CCC(CC)CCC#N 75521725 573595904 /nfs/dbraw/zinc/59/59/04/573595904.db2.gz XHUWROVEEFXLID-UHFFFAOYSA-N 0 0 125.215 2.726 10 30 AFEERN Cc1ccoc1-c1nc(C#N)cs1 259522526 573595993 /nfs/dbraw/zinc/59/59/93/573595993.db2.gz BAZCNNDRGPYAFD-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN CC(C)(CS)C1CCC1 259136010 573596139 /nfs/dbraw/zinc/59/61/39/573596139.db2.gz HMFKPWUZDLLQQJ-UHFFFAOYSA-N 0 0 144.283 2.743 10 30 AFEERN O/N=C(\Cl)C1CCCCCC1 236387106 573596230 /nfs/dbraw/zinc/59/62/30/573596230.db2.gz GDRHDPIVFOXHPZ-NTMALXAHSA-N 0 0 175.659 2.983 10 30 AFEERN O/N=C(/Cl)c1ccccc1C1CC1 236386837 573596273 /nfs/dbraw/zinc/59/62/73/573596273.db2.gz KXNFWCIWDXNIHW-ZRDIBKRKSA-N 0 0 195.649 2.939 10 30 AFEERN Cc1cc(-c2cscc2C#N)on1 259526392 573596314 /nfs/dbraw/zinc/59/63/14/573596314.db2.gz BIJHYYGDZRDZSS-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C=C[C@@H]1C[C@@H](C(=C)C)CC(=O)[C@@H]1C 238456329 573596825 /nfs/dbraw/zinc/59/68/25/573596825.db2.gz RMKKSTKKOPUZKR-GMTAPVOTSA-N 0 0 178.275 2.980 10 30 AFEERN O=C(C1=CCCCCC1)C1=CCCO1 236393321 573596452 /nfs/dbraw/zinc/59/64/52/573596452.db2.gz PGQQRUUBGZLLED-UHFFFAOYSA-N 0 0 192.258 2.750 10 30 AFEERN N#C[C@@H]1C[C@@H]1c1cc(F)ccc1F 259134913 573596515 /nfs/dbraw/zinc/59/65/15/573596515.db2.gz LYPCWDMLRZUMAD-XPUUQOCRSA-N 0 0 179.169 2.592 10 30 AFEERN CC/C=C(\C)CCCC=O 75527954 573597598 /nfs/dbraw/zinc/59/75/98/573597598.db2.gz KAKMVDVAQVDPCY-RMKNXTFCSA-N 0 0 140.226 2.712 10 30 AFEERN Cn1c(C2(C#N)CC2)cc2ccccc21 259524303 573597647 /nfs/dbraw/zinc/59/76/47/573597647.db2.gz DPRHOLIDNQZBPG-UHFFFAOYSA-N 0 0 196.253 2.733 10 30 AFEERN C=C[C@H](C)OC(=O)Nc1ccccc1 238456528 573597768 /nfs/dbraw/zinc/59/77/68/573597768.db2.gz RCZOSHMNXONILD-VIFPVBQESA-N 0 0 191.230 2.810 10 30 AFEERN CC[C@H](C=O)CC=C(C)C 75527841 573597681 /nfs/dbraw/zinc/59/76/81/573597681.db2.gz PXGXNQPVWMUVJP-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN CC[C@H](C#N)N1CCC[C@H]2CCC[C@@H]21 83700997 573599029 /nfs/dbraw/zinc/59/90/29/573599029.db2.gz NWBYXTUAOGUKSN-UTUOFQBUSA-N 0 0 192.306 2.553 10 30 AFEERN O=C[C@H]1CCSc2ccc(F)cc21 107432475 573598787 /nfs/dbraw/zinc/59/87/87/573598787.db2.gz BGCQFQBTRBQUIO-SSDOTTSWSA-N 0 0 196.246 2.604 10 30 AFEERN O=C[C@@H]1CSc2cccc(Cl)c21 258070570 573598956 /nfs/dbraw/zinc/59/89/56/573598956.db2.gz MGAACAFADVUWGM-ZCFIWIBFSA-N 0 0 198.674 2.728 10 30 AFEERN N#C[C@@H]1CCOCC12CCCCCC2 259520721 573598971 /nfs/dbraw/zinc/59/89/71/573598971.db2.gz AUBSZIQZSWWASK-NSHDSACASA-N 0 0 193.290 2.887 10 30 AFEERN C=C[C@H]([NH2+]C)c1sccc1CC 130563370 573599950 /nfs/dbraw/zinc/59/99/50/573599950.db2.gz UDFCOEPOMHGQHZ-VIFPVBQESA-N 0 0 181.304 2.757 10 30 AFEERN C[C@@H]1C=C[C@@H]([C@H](C)CC=O)CC1 238445810 573599931 /nfs/dbraw/zinc/59/99/31/573599931.db2.gz QNOPEYBFROBYLR-GMTAPVOTSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@@H]1CC[C@H](C(C)=O)[C@@H]1C 238457479 573599984 /nfs/dbraw/zinc/59/99/84/573599984.db2.gz VCONEMSMPCZKGZ-IEBDPFPHSA-N 0 0 166.264 2.814 10 30 AFEERN CCC(CC)(CC)CC=O 75528918 573600007 /nfs/dbraw/zinc/60/00/07/573600007.db2.gz SYSQFFRLKUHUGW-UHFFFAOYSA-N 0 0 142.242 2.792 10 30 AFEERN C=C(C)C/C=C/[C@H](C)[C@H](C)O 238456992 573600123 /nfs/dbraw/zinc/60/01/23/573600123.db2.gz HTRYDBXKUCVCLX-MLXLLJIISA-N 0 0 154.253 2.526 10 30 AFEERN O=C(C1=CCCCC1)C1=COCCC1 236392746 573600232 /nfs/dbraw/zinc/60/02/32/573600232.db2.gz URQYSXBWBKQOKL-UHFFFAOYSA-N 0 0 192.258 2.750 10 30 AFEERN CC[C@@H](C=O)CC=C(C)C 75527844 573600331 /nfs/dbraw/zinc/60/03/31/573600331.db2.gz PXGXNQPVWMUVJP-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN C#CC[C@]1(CC=C)C=C[C@H](C)C[C@@H]1O 238456523 573600397 /nfs/dbraw/zinc/60/03/97/573600397.db2.gz ZEJWWIHREHPKQX-AVGNSLFASA-N 0 0 190.286 2.529 10 30 AFEERN O=C[C@H]1CSc2cccc(Cl)c21 258070569 573600828 /nfs/dbraw/zinc/60/08/28/573600828.db2.gz MGAACAFADVUWGM-LURJTMIESA-N 0 0 198.674 2.728 10 30 AFEERN C=C(C)C/C=C/[C@@H](C)[C@@H](C)O 238445824 573601350 /nfs/dbraw/zinc/60/13/50/573601350.db2.gz HTRYDBXKUCVCLX-NDDURPPSSA-N 0 0 154.253 2.526 10 30 AFEERN C[C@@H]1[C@H](CC=O)CCC1(C)C 238457565 573600989 /nfs/dbraw/zinc/60/09/89/573600989.db2.gz IQVNPNPWXMCACK-BDAKNGLRSA-N 0 0 154.253 2.648 10 30 AFEERN C=C(C)[C@@]1(C)C[C@@H](C)CC1=O 238456880 573601008 /nfs/dbraw/zinc/60/10/08/573601008.db2.gz RMFAEVFONOKGNA-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN O=C[C@@H]1CCSc2c(F)cccc21 107432465 573601326 /nfs/dbraw/zinc/60/13/26/573601326.db2.gz DHAGKBBAUWFJHB-ZETCQYMHSA-N 0 0 196.246 2.604 10 30 AFEERN C#CC[C@]1(CC=C)C=C[C@@H](C)C[C@@H]1O 238445882 573601476 /nfs/dbraw/zinc/60/14/76/573601476.db2.gz ZEJWWIHREHPKQX-AGIUHOORSA-N 0 0 190.286 2.529 10 30 AFEERN C=CC[C@@H]1CC[C@@H](C(C)=O)[C@@H]1C 238457494 573601672 /nfs/dbraw/zinc/60/16/72/573601672.db2.gz VCONEMSMPCZKGZ-FBIMIBRVSA-N 0 0 166.264 2.814 10 30 AFEERN O=C[C@@H]1CCCC12CCCC2 75539712 573606233 /nfs/dbraw/zinc/60/62/33/573606233.db2.gz GCYKGLVQWRUJTP-VIFPVBQESA-N 0 0 152.237 2.546 10 30 AFEERN CCc1nc(C(C)(C)C#N)cs1 259140836 573602900 /nfs/dbraw/zinc/60/29/00/573602900.db2.gz CYHLMXMIVNKTDI-UHFFFAOYSA-N 0 0 180.276 2.507 10 30 AFEERN C=C[C@H](O)[C@@H]1CC(C)=C[C@@H](C)C1 235622565 573602937 /nfs/dbraw/zinc/60/29/37/573602937.db2.gz IFRYNNIFZVSOSL-MIMYLULJSA-N 0 0 166.264 2.526 10 30 AFEERN Cc1cc(C#N)c2c(c1)CC(=O)S2 306666378 573603153 /nfs/dbraw/zinc/60/31/53/573603153.db2.gz ZNMFNWLKBNZZAA-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN CCC[C@H](C=O)CC=C(C)C 75541796 573603302 /nfs/dbraw/zinc/60/33/02/573603302.db2.gz SGNZUUBAAFVFFT-JTQLQIEISA-N 0 0 154.253 2.958 10 30 AFEERN C=C[C@H](C[C@H](C)O)[Si](C)(C)C 197424685 573603343 /nfs/dbraw/zinc/60/33/43/573603343.db2.gz ZIQQAOMBZDUFHN-DTWKUNHWSA-N 0 0 172.344 2.652 10 30 AFEERN C[C@@H]1CC=C[C@@H](CCC=O)C1 75539657 573603353 /nfs/dbraw/zinc/60/33/53/573603353.db2.gz ZXVPPHLKFQJFCK-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1[C@H](c2ccccc2)[C@@]1(C)C=O 238446641 573603364 /nfs/dbraw/zinc/60/33/64/573603364.db2.gz WSAHOLQIKGXVSR-JLLWLGSASA-N 0 0 174.243 2.625 10 30 AFEERN Cc1cccc(C2(C=O)CC2)c1C 257836342 573603522 /nfs/dbraw/zinc/60/35/22/573603522.db2.gz LCMNZBLSLGEVCU-UHFFFAOYSA-N 0 0 174.243 2.534 10 30 AFEERN Cc1cc(N)c2scc(C#N)c2c1 306666652 573603803 /nfs/dbraw/zinc/60/38/03/573603803.db2.gz GELBIQIRYINLMB-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CC1(C)C=CC[C@@H](CC=O)C1 75539736 573603569 /nfs/dbraw/zinc/60/35/69/573603569.db2.gz SHODEJXXKJGNOQ-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CC[C@@]2(C)CCC=C2C1=O 238447288 573603635 /nfs/dbraw/zinc/60/36/35/573603635.db2.gz DJAXJCYATXYVIE-LDYMZIIASA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@]12CC[C@@H]1CC(=O)C1=C2CCC1 238446981 573603889 /nfs/dbraw/zinc/60/38/89/573603889.db2.gz ZPBNQAGZZSKGFM-PRHODGIISA-N 0 0 176.259 2.856 10 30 AFEERN C[C@H]1C=CC(=O)[C@@H](C(C)(C)C)C1 238447056 573603994 /nfs/dbraw/zinc/60/39/94/573603994.db2.gz XKKBJXMXPYITJE-IUCAKERBSA-N 0 0 166.264 2.814 10 30 AFEERN CC1(C)C=CC[C@H](CC=O)C1 75539742 573604033 /nfs/dbraw/zinc/60/40/33/573604033.db2.gz SHODEJXXKJGNOQ-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)[C@H]1CC[C@H](CC=O)C1 75541862 573604074 /nfs/dbraw/zinc/60/40/74/573604074.db2.gz JUHMBCBILKMDME-ZJUUUORDSA-N 0 0 154.253 2.648 10 30 AFEERN C=CCSc1cccc(F)c1CO 393540744 573604108 /nfs/dbraw/zinc/60/41/08/573604108.db2.gz XOQQYCAWYXBLHF-UHFFFAOYSA-N 0 0 198.262 2.596 10 30 AFEERN CC1=C[C@@H]2[C@@H](C)C(=O)C=C[C@@]2(C)C1 238446873 573604169 /nfs/dbraw/zinc/60/41/69/573604169.db2.gz LDIYVPJMHPCTGU-FOGDFJRCSA-N 0 0 176.259 2.734 10 30 AFEERN C[C@@H]1CC=C[C@H](CCC=O)C1 75539654 573604173 /nfs/dbraw/zinc/60/41/73/573604173.db2.gz ZXVPPHLKFQJFCK-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)=C[C@H](C)C(C)(C)C=O 75541843 573604245 /nfs/dbraw/zinc/60/42/45/573604245.db2.gz RWFQAYBLSWWLCR-VIFPVBQESA-N 0 0 154.253 2.814 10 30 AFEERN CC1=C([C@@H]2CC[C@@H]2C)CCC1=O 238445947 573604306 /nfs/dbraw/zinc/60/43/06/573604306.db2.gz UVRBGBMHMNIFIG-IONNQARKSA-N 0 0 164.248 2.712 10 30 AFEERN O=C[C@H]1CCCC12CCCC2 75539710 573604374 /nfs/dbraw/zinc/60/43/74/573604374.db2.gz GCYKGLVQWRUJTP-SECBINFHSA-N 0 0 152.237 2.546 10 30 AFEERN C=C[C@@H](C[C@@H](C)O)[Si](C)(C)C 197424722 573606517 /nfs/dbraw/zinc/60/65/17/573606517.db2.gz ZIQQAOMBZDUFHN-BDAKNGLRSA-N 0 0 172.344 2.652 10 30 AFEERN CC1=CC[C@@H](C(C)(C)C=O)C1 75539700 573604485 /nfs/dbraw/zinc/60/44/85/573604485.db2.gz BWGUTROBIRSZMJ-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN O=CCc1cnc(C2CCCC2)s1 258410895 573604558 /nfs/dbraw/zinc/60/45/58/573604558.db2.gz CZRBQINIIMDXLK-UHFFFAOYSA-N 0 0 195.287 2.542 10 30 AFEERN C[C@H]1CC=C[C@@H](CCC=O)C1 75539660 573604577 /nfs/dbraw/zinc/60/45/77/573604577.db2.gz ZXVPPHLKFQJFCK-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H]1CCCC2=CC=CC(=O)[C@]21C 238447280 573604644 /nfs/dbraw/zinc/60/46/44/573604644.db2.gz LKZANHIQRLPGAP-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)=C1CC[C@H](CC=O)C1 75539703 573604678 /nfs/dbraw/zinc/60/46/78/573604678.db2.gz SKQPAZVBABDPMY-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN CC[C@H](C=C(C)C)[C@H](C)C=O 75541926 573604693 /nfs/dbraw/zinc/60/46/93/573604693.db2.gz SUVMJRKRWONMQE-NXEZZACHSA-N 0 0 154.253 2.814 10 30 AFEERN CC[C@@H](C=C(C)C)[C@H](C)C=O 75541922 573605075 /nfs/dbraw/zinc/60/50/75/573605075.db2.gz SUVMJRKRWONMQE-ZJUUUORDSA-N 0 0 154.253 2.814 10 30 AFEERN CSc1ccc(C)c(CC#N)c1 258066932 573605153 /nfs/dbraw/zinc/60/51/53/573605153.db2.gz UBNALIDWHOJVNF-UHFFFAOYSA-N 0 0 177.272 2.783 10 30 AFEERN CC(=O)C1=C(C)CCC[C@H]1C 238446000 573605347 /nfs/dbraw/zinc/60/53/47/573605347.db2.gz IPNXNQJMFNNHAW-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN CC1(C)O[C@@H]1c1cccs1 259123949 573605366 /nfs/dbraw/zinc/60/53/66/573605366.db2.gz DNCYZQHXULDIGT-SSDOTTSWSA-N 0 0 154.234 2.598 10 30 AFEERN Cc1ccccc1-c1cnoc1C#N 259525674 573605378 /nfs/dbraw/zinc/60/53/78/573605378.db2.gz XWVFNSGTAXIABU-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C[C@@H]1CC[C@@](C=O)(c2ccccc2)C1 238446183 573605400 /nfs/dbraw/zinc/60/54/00/573605400.db2.gz ZYUVBBPLALTQJG-DGCLKSJQSA-N 0 0 188.270 2.943 10 30 AFEERN Cc1ccc(C(C)C)cc1C(=O)C#N 259140881 573605427 /nfs/dbraw/zinc/60/54/27/573605427.db2.gz KGFDRIHYFLFWJA-UHFFFAOYSA-N 0 0 187.242 2.825 10 30 AFEERN CC(C)[C@H]1CC[C@@H](CC=O)C1 75541869 573605433 /nfs/dbraw/zinc/60/54/33/573605433.db2.gz JUHMBCBILKMDME-UWVGGRQHSA-N 0 0 154.253 2.648 10 30 AFEERN C/C(=C/c1ccccc1)[C@@H]1C[C@@H]1C=O 224390164 573605487 /nfs/dbraw/zinc/60/54/87/573605487.db2.gz ZARPDNOQMPAYQL-JSQQBDPTSA-N 0 0 186.254 2.925 10 30 AFEERN C#C[C@H](O)C[C@@H](C)c1ccc(C)s1 238446815 573605596 /nfs/dbraw/zinc/60/55/96/573605596.db2.gz GFUSLSSOUBMARU-SCZZXKLOSA-N 0 0 194.299 2.544 10 30 AFEERN C=C(C)[C@@H]1C=C[C@H](C)[C@@H](C(C)=O)C1 238446247 573605751 /nfs/dbraw/zinc/60/57/51/573605751.db2.gz PORSJTCAAGJIMJ-WCQGTBRESA-N 0 0 178.275 2.980 10 30 AFEERN C[C@H](C#N)/C=C/c1ccccc1 75543147 573605754 /nfs/dbraw/zinc/60/57/54/573605754.db2.gz QFYUIQMDJGQTGR-JARNTUPDSA-N 0 0 157.216 2.859 10 30 AFEERN C=C[C@]12CC=CC(=O)[C@@H]1CC[C@@H]2C 238446177 573605810 /nfs/dbraw/zinc/60/58/10/573605810.db2.gz JOXLDBSOPXSUFS-JBLDHEPKSA-N 0 0 176.259 2.734 10 30 AFEERN C=C1C[C@@H]2[C@@H](C)C(=O)CC[C@@]2(C)C1 238446989 573606316 /nfs/dbraw/zinc/60/63/16/573606316.db2.gz KOHIKHJXGIXWBV-FOGDFJRCSA-N 0 0 178.275 2.958 10 30 AFEERN CC1=CC[C@H](C(C)(C)C=O)C1 75539696 573605889 /nfs/dbraw/zinc/60/58/89/573605889.db2.gz BWGUTROBIRSZMJ-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@]12CCCC(=O)[C@@H]1CC[C@@H]2C 238446242 573606121 /nfs/dbraw/zinc/60/61/21/573606121.db2.gz JXIOQVHDPUGBJM-JBLDHEPKSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cc(C#N)c2c(N)csc2c1 306664722 573606136 /nfs/dbraw/zinc/60/61/36/573606136.db2.gz XFVSKKUTKBPLMN-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=C[C@@H](C[C@H](C)O)[Si](C)(C)C 197424710 573606355 /nfs/dbraw/zinc/60/63/55/573606355.db2.gz ZIQQAOMBZDUFHN-IUCAKERBSA-N 0 0 172.344 2.652 10 30 AFEERN C=C1C[C@@H]2[C@@H](C)C(=O)C[C@@]2(C)C1 238446973 573606511 /nfs/dbraw/zinc/60/65/11/573606511.db2.gz ROEOEDPTBWHQIM-FXPVBKGRSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@H]1CC[C@H]2C(=CC(=O)C[C@@H]2C)C1 238448470 573608644 /nfs/dbraw/zinc/60/86/44/573608644.db2.gz VNBAUCJJYBKKPL-HOTUBEGUSA-N 0 0 178.275 2.958 10 30 AFEERN CCC(CC)=NNC(C)(C)C 142779447 573608646 /nfs/dbraw/zinc/60/86/46/573608646.db2.gz UJKNMDWELNKVEU-UHFFFAOYSA-N 0 0 156.273 2.551 10 30 AFEERN CC1(C)CCC[C@@]2(C)C(=O)C=C[C@H]12 142746498 573607536 /nfs/dbraw/zinc/60/75/36/573607536.db2.gz VYLRNYVOYFJIPB-BXKDBHETSA-N 0 0 178.275 2.958 10 30 AFEERN SCc1nc(-c2cccs2)c[nH]1 259129391 573607614 /nfs/dbraw/zinc/60/76/14/573607614.db2.gz QTMSJUPYFGSJKE-UHFFFAOYSA-N 0 0 196.300 2.568 10 30 AFEERN CC[C@@H](C)[C@H](C#N)c1ccc[nH]1 75545475 573607737 /nfs/dbraw/zinc/60/77/37/573607737.db2.gz DBJSEGKDAGSKRR-BDAKNGLRSA-N 0 0 162.236 2.668 10 30 AFEERN CC1=C[C@@H]2CCCC[C@@H]2[C@@H](C)C1=O 238447379 573607848 /nfs/dbraw/zinc/60/78/48/573607848.db2.gz UCZDOUNHCCYXDV-OUAUKWLOSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)Cc1csc(CCC#N)n1 259126694 573607868 /nfs/dbraw/zinc/60/78/68/573607868.db2.gz GZGSOQBZFOCHPP-UHFFFAOYSA-N 0 0 194.303 2.798 10 30 AFEERN C=C1CCC[C@@]12CCCCC2=O 142746083 573607878 /nfs/dbraw/zinc/60/78/78/573607878.db2.gz GMDLIKLTMPJTFS-NSHDSACASA-N 0 0 164.248 2.856 10 30 AFEERN C[C@H](S)C(C)(C)c1ccc(N)cc1 258069033 573608689 /nfs/dbraw/zinc/60/86/89/573608689.db2.gz LHBVRPKXVOZHOP-QMMMGPOBSA-N 0 0 195.331 2.865 10 30 AFEERN Cc1cccc([C@H](C)C#N)c1C 75544144 573608012 /nfs/dbraw/zinc/60/80/12/573608012.db2.gz NVSGALJNBMVVCV-SECBINFHSA-N 0 0 159.232 2.931 10 30 AFEERN Cc1ccc(CN(C)CS)c(C)c1 258821272 573608020 /nfs/dbraw/zinc/60/80/20/573608020.db2.gz AEWJQBPBJYKOBL-UHFFFAOYSA-N 0 0 195.331 2.623 10 30 AFEERN C=C1C(=O)CC[C@@]12CC[C@@H](C)C2 238447490 573608055 /nfs/dbraw/zinc/60/80/55/573608055.db2.gz JYAKPTXGBDFTMQ-LDYMZIIASA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)[C@@H]1CCC(=O)C[C@H]1C 142734885 573608158 /nfs/dbraw/zinc/60/81/58/573608158.db2.gz DSBROUDMCNURRZ-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=CC(=O)C(=C(C)C)C[C@@H]1C 238448693 573608169 /nfs/dbraw/zinc/60/81/69/573608169.db2.gz LEPKXXDTWDCWRS-QMMMGPOBSA-N 0 0 164.248 2.878 10 30 AFEERN C=CC[C@@H]1C(=O)CCCC[C@H]1C 238448170 573608233 /nfs/dbraw/zinc/60/82/33/573608233.db2.gz QTLKJHJIISWERN-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccc(C(C)(C)S)o1 259126389 573608272 /nfs/dbraw/zinc/60/82/72/573608272.db2.gz GWMDSMKDJWMOOY-UHFFFAOYSA-N 0 0 156.250 2.753 10 30 AFEERN CC1(C)CCC[C@@]2(C)C(=O)C=C[C@@H]12 142746848 573608302 /nfs/dbraw/zinc/60/83/02/573608302.db2.gz VYLRNYVOYFJIPB-JOYOIKCWSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H]1CC[C@@]23CC(=O)C=C2CC[C@@H]13 238447884 573608411 /nfs/dbraw/zinc/60/84/11/573608411.db2.gz OEHOXEDQHGIXFQ-JFUSQASVSA-N 0 0 176.259 2.712 10 30 AFEERN C[C@@H]1[C@H]2C=CC=C[C@@H]1C(=O)C=CC2 238448092 573608443 /nfs/dbraw/zinc/60/84/43/573608443.db2.gz HAJAPZVVXMFEGN-VWYCJHECSA-N 0 0 174.243 2.510 10 30 AFEERN N#C[C@H](c1cc[nH]c1)C1CCCC1 259125139 573608807 /nfs/dbraw/zinc/60/88/07/573608807.db2.gz LLUOXQYOQUSQGM-NSHDSACASA-N 0 0 174.247 2.812 10 30 AFEERN C=C(C)[C@H]1CCC(=O)C[C@@H]1C 142734676 573608810 /nfs/dbraw/zinc/60/88/10/573608810.db2.gz DSBROUDMCNURRZ-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@](Cl)(C#N)c1ccccc1 75546971 573608854 /nfs/dbraw/zinc/60/88/54/573608854.db2.gz COFLEEXNUWNKKA-VIFPVBQESA-N 0 0 165.623 2.664 10 30 AFEERN C=C(C)[C@@H](O)CC/C(C)=C\C 142723979 573608885 /nfs/dbraw/zinc/60/88/85/573608885.db2.gz OSLMIIJINZJSGR-BSKOKIOFSA-N 0 0 154.253 2.670 10 30 AFEERN C[C@H]1CC[C@@H]2C=CC(=O)[C@@]2(C)C1 238447422 573608950 /nfs/dbraw/zinc/60/89/50/573608950.db2.gz JWSJFLXAIUPQNL-NGZCFLSTSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=C[C@]2(C)CCC[C@@H]2[C@@H](C)C1=O 238447581 573608973 /nfs/dbraw/zinc/60/89/73/573608973.db2.gz QQVHWPJZYBILNM-FOGDFJRCSA-N 0 0 178.275 2.958 10 30 AFEERN CSc1cccc(C2(C=O)CC2)c1 257837374 573609039 /nfs/dbraw/zinc/60/90/39/573609039.db2.gz LBHKCEITCOOPIV-UHFFFAOYSA-N 0 0 192.283 2.639 10 30 AFEERN CC[C@H](C)[C@@H](C#N)c1ccc[nH]1 75545472 573609077 /nfs/dbraw/zinc/60/90/77/573609077.db2.gz DBJSEGKDAGSKRR-DTWKUNHWSA-N 0 0 162.236 2.668 10 30 AFEERN C=C1CCC[C@]12CCCCC2=O 142746285 573609079 /nfs/dbraw/zinc/60/90/79/573609079.db2.gz GMDLIKLTMPJTFS-LLVKDONJSA-N 0 0 164.248 2.856 10 30 AFEERN C=CC[C@H]1CC(=O)C=CC1(C)C 142761759 573609231 /nfs/dbraw/zinc/60/92/31/573609231.db2.gz FBZYFMSLCMJHFU-VIFPVBQESA-N 0 0 164.248 2.734 10 30 AFEERN Cc1cccc2scc(CC=O)c12 258069475 573609628 /nfs/dbraw/zinc/60/96/28/573609628.db2.gz GUONVJDSRWXJGV-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN Cc1cc(C)c([C@@H](C)CC=O)c(O)c1 258070159 573610584 /nfs/dbraw/zinc/61/05/84/573610584.db2.gz MCHIRCXXZFKKOF-VIFPVBQESA-N 0 0 192.258 2.702 10 30 AFEERN C[C@H]1CCC[C@@H](C)C2=CC(=O)C[C@H]21 238448380 573610620 /nfs/dbraw/zinc/61/06/20/573610620.db2.gz QBNPCYPJAMJNOJ-PTRXPTGYSA-N 0 0 178.275 2.958 10 30 AFEERN CC[C@H](C)[C@H](C#N)c1ccc[nH]1 75545477 573610637 /nfs/dbraw/zinc/61/06/37/573610637.db2.gz DBJSEGKDAGSKRR-IUCAKERBSA-N 0 0 162.236 2.668 10 30 AFEERN C[C@@H]1CCCC2=CC[C@H](C=O)[C@@]21C 238447400 573610685 /nfs/dbraw/zinc/61/06/85/573610685.db2.gz OVNQLWLOIUFZER-YUSALJHKSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1ccsc1NCCCC#N 258820987 573610760 /nfs/dbraw/zinc/61/07/60/573610760.db2.gz AAWWHJIWFCXTBY-UHFFFAOYSA-N 0 0 180.276 2.772 10 30 AFEERN O=C[C@@H]1CCCSc2ccccc21 142736950 573610863 /nfs/dbraw/zinc/61/08/63/573610863.db2.gz UAFYOOPQIIVMOL-VIFPVBQESA-N 0 0 192.283 2.855 10 30 AFEERN C=C(C)[C@H]1CCC(=O)C[C@H]1C 142734471 573610917 /nfs/dbraw/zinc/61/09/17/573610917.db2.gz DSBROUDMCNURRZ-PSASIEDQSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=C[C@](C)(C=O)CC(C)(C)C1 75554874 573610930 /nfs/dbraw/zinc/61/09/30/573610930.db2.gz KKCPHDYYUNRYRI-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H](C#N)CNc1cccs1 259127790 573612320 /nfs/dbraw/zinc/61/23/20/573612320.db2.gz YUDIZNILEKNCPX-QMMMGPOBSA-N 0 0 180.276 2.710 10 30 AFEERN CC(C)Cc1cscc1C#N 82403249 573611869 /nfs/dbraw/zinc/61/18/69/573611869.db2.gz JHMUAOVTMYQERS-UHFFFAOYSA-N 0 0 165.261 2.818 10 30 AFEERN CC1=CC(C)(C)[C@@H](CCC=O)C1 75554826 573611894 /nfs/dbraw/zinc/61/18/94/573611894.db2.gz SSXFPSIUDLXMSJ-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@]1(C)C(=O)[C@H]2CCCCC[C@@H]21 238449752 573611936 /nfs/dbraw/zinc/61/19/36/573611936.db2.gz FJSCQRQDRIAALU-NHCYSSNCSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)=C[C@@H](C)C[C@@H](C)C=O 238449880 573611978 /nfs/dbraw/zinc/61/19/78/573611978.db2.gz LXINHZQBQOZOSC-NXEZZACHSA-N 0 0 154.253 2.814 10 30 AFEERN C=CCc1cc(C)c(CO)c(C)c1 142844695 573611999 /nfs/dbraw/zinc/61/19/99/573611999.db2.gz GXSUYWQDJFVBFK-UHFFFAOYSA-N 0 0 176.259 2.524 10 30 AFEERN C[C@@H](CC#N)[C@@H]1CCCSC1 259616414 573612035 /nfs/dbraw/zinc/61/20/35/573612035.db2.gz HPNZWBSHWJKYTM-DTWKUNHWSA-N 0 0 169.293 2.679 10 30 AFEERN C=CC[C@@H]1CC(=O)C=CC1(C)C 142761959 573612039 /nfs/dbraw/zinc/61/20/39/573612039.db2.gz FBZYFMSLCMJHFU-SECBINFHSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H]1C=C(C(C)(C)C)C(=O)C1 238449183 573612058 /nfs/dbraw/zinc/61/20/58/573612058.db2.gz NDINEAZIWFKJEN-SSDOTTSWSA-N 0 0 152.237 2.568 10 30 AFEERN N#C[C@@H](c1cc[nH]c1)C1CCCC1 259125135 573612102 /nfs/dbraw/zinc/61/21/02/573612102.db2.gz LLUOXQYOQUSQGM-LLVKDONJSA-N 0 0 174.247 2.812 10 30 AFEERN CC1(C)CCC[C@]2(C)C(=O)C=C[C@H]12 142746680 573612138 /nfs/dbraw/zinc/61/21/38/573612138.db2.gz VYLRNYVOYFJIPB-SKDRFNHKSA-N 0 0 178.275 2.958 10 30 AFEERN C=C(C)[C@H](O)CC/C(C)=C\C 142724218 573612343 /nfs/dbraw/zinc/61/23/43/573612343.db2.gz OSLMIIJINZJSGR-HYHWUIIZSA-N 0 0 154.253 2.670 10 30 AFEERN C[C@@H](S)C(C)(C)c1ccc(N)cc1 258069029 573612264 /nfs/dbraw/zinc/61/22/64/573612264.db2.gz LHBVRPKXVOZHOP-MRVPVSSYSA-N 0 0 195.331 2.865 10 30 AFEERN C=C(C)[C@@H]1C[C@H]2C=C[C@@H]1C(=O)[C@@H]2C 238448890 573612384 /nfs/dbraw/zinc/61/23/84/573612384.db2.gz MPCVGXVIAHPZSB-ZNSHCXBVSA-N 0 0 176.259 2.590 10 30 AFEERN Cc1nccc2ccc(CC#N)cc12 258070160 573612385 /nfs/dbraw/zinc/61/23/85/573612385.db2.gz MCHJIWCEUAISBV-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN C=C(C)[C@@H]1CCC(=O)C[C@@H]1C 142735083 573612474 /nfs/dbraw/zinc/61/24/74/573612474.db2.gz DSBROUDMCNURRZ-WPRPVWTQSA-N 0 0 152.237 2.568 10 30 AFEERN CCCc1csc(CCC#N)n1 259126398 573612570 /nfs/dbraw/zinc/61/25/70/573612570.db2.gz GWPYFEYKIXJPNC-UHFFFAOYSA-N 0 0 180.276 2.552 10 30 AFEERN CC[C@@H](C#N)c1nc(C(C)C)c[nH]1 259127367 573612589 /nfs/dbraw/zinc/61/25/89/573612589.db2.gz QNHJQOGSVDBNGP-QMMMGPOBSA-N 0 0 177.251 2.550 10 30 AFEERN COC(C)(C)[C@H](C)CCCC#N 75558033 573612620 /nfs/dbraw/zinc/61/26/20/573612620.db2.gz USCHLKKDFMFPOV-SECBINFHSA-N 0 0 169.268 2.741 10 30 AFEERN CC(C)c1cccc(CCC=O)c1O 258070163 573612733 /nfs/dbraw/zinc/61/27/33/573612733.db2.gz MCJCWHXNFRWTAD-UHFFFAOYSA-N 0 0 192.258 2.647 10 30 AFEERN C[C@H](C#C[Si](C)(C)C)C[C@@H](C)C=O 238449735 573612739 /nfs/dbraw/zinc/61/27/39/573612739.db2.gz MIALWYRLVCFEKA-GHMZBOCLSA-N 0 0 196.366 2.728 10 30 AFEERN N#C[C@@H](F)Cc1ccc(Cl)cc1 259530719 573616493 /nfs/dbraw/zinc/61/64/93/573616493.db2.gz BCKRFIZWJKFOEB-VIFPVBQESA-N 0 0 183.613 2.744 10 30 AFEERN Cc1cc(O)ccc1[C@H](C)CC#N 238449733 573613767 /nfs/dbraw/zinc/61/37/67/573613767.db2.gz QPVQHSAMKOQYTE-MRVPVSSYSA-N 0 0 175.231 2.718 10 30 AFEERN C[C@H](CC#N)[C@H]1CCCSC1 259616410 573613905 /nfs/dbraw/zinc/61/39/05/573613905.db2.gz HPNZWBSHWJKYTM-BDAKNGLRSA-N 0 0 169.293 2.679 10 30 AFEERN Cc1cccc2c1CC[C@H]2CC#N 238449676 573613822 /nfs/dbraw/zinc/61/38/22/573613822.db2.gz HGDJWDQAWQIBEP-JTQLQIEISA-N 0 0 171.243 2.939 10 30 AFEERN CC1=CC(=O)C2=C1CCCCC2 238449292 573613828 /nfs/dbraw/zinc/61/38/28/573613828.db2.gz JWAPDTFKBYQFPM-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN C[C@H]1CC[C@@](C=O)(c2ccccc2)C1 238448968 573613874 /nfs/dbraw/zinc/61/38/74/573613874.db2.gz ZYUVBBPLALTQJG-WCQYABFASA-N 0 0 188.270 2.943 10 30 AFEERN CCCC=C1CC(C)=C(C)C1=O 211957227 573615637 /nfs/dbraw/zinc/61/56/37/573615637.db2.gz VMFUQGMVVJFKPW-LKJZUNMESA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@H](C)[C@H](C=O)C(C)(C)C=C 75554760 573615085 /nfs/dbraw/zinc/61/50/85/573615085.db2.gz HBZIHUGOWMEOGP-UWVGGRQHSA-N 0 0 166.264 2.836 10 30 AFEERN C[C@@H](C1CCCCC1)[C@@H](C)NCC#N 308642692 573615091 /nfs/dbraw/zinc/61/50/91/573615091.db2.gz FPQGGFXUZXWZKW-GHMZBOCLSA-N 0 0 194.322 2.704 10 30 AFEERN C[C@H](NCC#N)[C@@H](C)C1CCCCC1 308642694 573615267 /nfs/dbraw/zinc/61/52/67/573615267.db2.gz FPQGGFXUZXWZKW-MNOVXSKESA-N 0 0 194.322 2.704 10 30 AFEERN O=C(Cc1ccsc1)C1=CCCC1 236404781 573615332 /nfs/dbraw/zinc/61/53/32/573615332.db2.gz VHNVVRLGBKFYNQ-UHFFFAOYSA-N 0 0 192.283 2.970 10 30 AFEERN CC(C)=CC1=C[C@H](C)C[C@@H]1C=O 238450758 573615662 /nfs/dbraw/zinc/61/56/62/573615662.db2.gz VASFSHSYJIDJMO-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN Cc1ccccc1[C@H](N)C(C)(C)C#N 259131908 573620531 /nfs/dbraw/zinc/62/05/31/573620531.db2.gz AVRSDUROMFNLKB-NSHDSACASA-N 0 0 188.274 2.545 10 30 AFEERN Cc1c(N)cc(C)c2oc(C#N)cc12 259529704 573619050 /nfs/dbraw/zinc/61/90/50/573619050.db2.gz YMISFZLCYQJYEL-UHFFFAOYSA-N 0 0 186.214 2.504 10 30 AFEERN Cc1cc2c(o1)[C@@H](C)CC(=O)C=C2 238450905 573618888 /nfs/dbraw/zinc/61/88/88/573618888.db2.gz QGCGFEXIMRNNNH-ZETCQYMHSA-N 0 0 176.215 2.678 10 30 AFEERN CCCCCCCC(=O)c1cn[nH]c1 308644913 573623120 /nfs/dbraw/zinc/62/31/20/573623120.db2.gz GOVDZFIJZMBZSB-UHFFFAOYSA-N 0 0 194.278 2.953 10 30 AFEERN CC(C)C[C@@H](C#N)c1cccnc1 75564788 573619304 /nfs/dbraw/zinc/61/93/04/573619304.db2.gz CPGOHRRFBMNTDW-NSHDSACASA-N 0 0 174.247 2.735 10 30 AFEERN CC[C@H](C)[C@@H](C#N)c1ccccn1 75564775 573617417 /nfs/dbraw/zinc/61/74/17/573617417.db2.gz GDCLNZNDQSSCIU-VHSXEESVSA-N 0 0 174.247 2.735 10 30 AFEERN CC(C)C[C@@H](C#N)c1ccncc1 75564762 573617569 /nfs/dbraw/zinc/61/75/69/573617569.db2.gz GYHLBMSISAODMP-NSHDSACASA-N 0 0 174.247 2.735 10 30 AFEERN CC(C)C[C@H](C#N)c1ccncc1 75564764 573617586 /nfs/dbraw/zinc/61/75/86/573617586.db2.gz GYHLBMSISAODMP-LLVKDONJSA-N 0 0 174.247 2.735 10 30 AFEERN C#C[C@@H](O)C[C@@H](C)c1ccc(C)s1 238451067 573617590 /nfs/dbraw/zinc/61/75/90/573617590.db2.gz GFUSLSSOUBMARU-PSASIEDQSA-N 0 0 194.299 2.544 10 30 AFEERN Cc1nocc1-c1ccsc1C#N 259529972 573617713 /nfs/dbraw/zinc/61/77/13/573617713.db2.gz BQPVSJOSOBJNCO-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN Cc1cc(N)ccc1C1(C#N)CCC1 238450571 573617745 /nfs/dbraw/zinc/61/77/45/573617745.db2.gz FGDBVCPTGOLXLM-UHFFFAOYSA-N 0 0 186.258 2.523 10 30 AFEERN C[C@H]1CC[C@](C)(CCC#N)C(=O)C1 238451051 573617788 /nfs/dbraw/zinc/61/77/88/573617788.db2.gz UAZYBRXZUYAQPQ-ONGXEEELSA-N 0 0 179.263 2.686 10 30 AFEERN C[C@H]1CC(=O)C=C2C=CCC[C@]21C 238450398 573617803 /nfs/dbraw/zinc/61/78/03/573617803.db2.gz JRAUABGEIHQCFV-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@]1(C=O)CC=C[C@@H]2CCCC[C@@H]21 238450056 573617904 /nfs/dbraw/zinc/61/79/04/573617904.db2.gz GAWPTLRKVSUIEP-SDDRHHMPSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H]1CC[C@@]23CC(=O)C=C2CC[C@@H]13 238450519 573617921 /nfs/dbraw/zinc/61/79/21/573617921.db2.gz OEHOXEDQHGIXFQ-KPXOXKRLSA-N 0 0 176.259 2.712 10 30 AFEERN C=C1C[C@H]2C[C@@H]([C@@H](C)C1=O)C2(C)C 238450432 573617997 /nfs/dbraw/zinc/61/79/97/573617997.db2.gz NMIXMRLTMGGLLL-UTLUCORTSA-N 0 0 178.275 2.814 10 30 AFEERN CC[C@@H](C)[C@@H](C#N)c1ccccn1 75564769 573618011 /nfs/dbraw/zinc/61/80/11/573618011.db2.gz GDCLNZNDQSSCIU-NXEZZACHSA-N 0 0 174.247 2.735 10 30 AFEERN C[C@H]1CC(=O)C=C2C=CCC[C@@]21C 238450414 573618104 /nfs/dbraw/zinc/61/81/04/573618104.db2.gz JRAUABGEIHQCFV-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC2=CC(=O)C[C@H](C)[C@H]2CC1 238450382 573618162 /nfs/dbraw/zinc/61/81/62/573618162.db2.gz ZDRXZRCGCZBZHO-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@]1(C=O)CC=C[C@H]2CCC[C@@H]21 238450109 573618366 /nfs/dbraw/zinc/61/83/66/573618366.db2.gz IMSSGDVNJMNVSU-OUAUKWLOSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=C[C@@](C)(C=O)c2ccccc21 75562800 573618519 /nfs/dbraw/zinc/61/85/19/573618519.db2.gz ABELWVVIQBHXOV-LBPRGKRZSA-N 0 0 172.227 2.560 10 30 AFEERN CC(C)C[C@H](C#N)c1cccnc1 75564794 573618774 /nfs/dbraw/zinc/61/87/74/573618774.db2.gz CPGOHRRFBMNTDW-LLVKDONJSA-N 0 0 174.247 2.735 10 30 AFEERN C[C@H]1CC(=O)C=C2[C@H](C)CCC[C@@H]21 238450600 573618857 /nfs/dbraw/zinc/61/88/57/573618857.db2.gz ZMKOQOADWFSAPL-WCABBAIRSA-N 0 0 178.275 2.958 10 30 AFEERN C=C1CCC[C@H](C[C@H](C)O)C1 238450532 573619091 /nfs/dbraw/zinc/61/90/91/573619091.db2.gz PVZQROXYHCJJDH-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN C[C@H]1CC[C@](C)(C(=O)C#N)C1(C)C 238450160 573619100 /nfs/dbraw/zinc/61/91/00/573619100.db2.gz XQQHMIWLKGQNAN-GZMMTYOYSA-N 0 0 179.263 2.541 10 30 AFEERN C=C(C)[C@@]1(C)CC[C@H](C)C(=O)C1 238450316 573619107 /nfs/dbraw/zinc/61/91/07/573619107.db2.gz WSYAHLXPXRYJNN-ONGXEEELSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1nc(C(C)C)c(CCCC#N)o1 259529827 573619358 /nfs/dbraw/zinc/61/93/58/573619358.db2.gz BOZZPEHNKIQZQD-UHFFFAOYSA-N 0 0 192.262 2.953 10 30 AFEERN C=C(C)C[C@@]1(C)CC[C@H](C)C1=O 238450834 573619424 /nfs/dbraw/zinc/61/94/24/573619424.db2.gz XWUSFAWHFMXLRV-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC2=CC(=O)C[C@H](C)[C@@H]2CC1 238450366 573619458 /nfs/dbraw/zinc/61/94/58/573619458.db2.gz ZDRXZRCGCZBZHO-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@H]1CC(=O)C=Cc2ccccc21 238450916 573619606 /nfs/dbraw/zinc/61/96/06/573619606.db2.gz RXPIVWLPELNDMV-VIFPVBQESA-N 0 0 172.227 2.776 10 30 AFEERN C=C1CCC(C(C)(C)NC(C)=O)CC1 211955066 573619697 /nfs/dbraw/zinc/61/96/97/573619697.db2.gz IIUNDDJVHSKERG-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C[C@H]1CC[C@](C)(C(O)=CC=O)C1(C)C 238450210 573619806 /nfs/dbraw/zinc/61/98/06/573619806.db2.gz ABJXZTBSLQZMFL-JOYOIKCWSA-N 0 0 196.290 2.607 10 30 AFEERN CC1=C[C@](C)(C=O)c2ccccc21 75562804 573619930 /nfs/dbraw/zinc/61/99/30/573619930.db2.gz ABELWVVIQBHXOV-GFCCVEGCSA-N 0 0 172.227 2.560 10 30 AFEERN C[C@H]1CC(=O)C=C2[C@H]1CCC[C@H]2C 238450581 573620053 /nfs/dbraw/zinc/62/00/53/573620053.db2.gz ZMKOQOADWFSAPL-YWVKMMECSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@]12CC[C@H]1CC(=O)C1=C2CCC1 238450511 573620086 /nfs/dbraw/zinc/62/00/86/573620086.db2.gz ZPBNQAGZZSKGFM-QPUJVOFHSA-N 0 0 176.259 2.856 10 30 AFEERN C=C1[C@@H](C)CC[C@]1(C)C(C)=O 238450340 573620097 /nfs/dbraw/zinc/62/00/97/573620097.db2.gz QJPMSDWLEDRSFU-XVKPBYJWSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)[C@H](C=O)SC(C)(C)C 75564916 573620179 /nfs/dbraw/zinc/62/01/79/573620179.db2.gz UPJHNKVYTNZLTL-QMMMGPOBSA-N 0 0 174.309 2.742 10 30 AFEERN CCc1c(C#N)n[nH]c1-c1ccccc1 259531935 573620546 /nfs/dbraw/zinc/62/05/46/573620546.db2.gz YRYITFVEFYOBPZ-UHFFFAOYSA-N 0 0 197.241 2.511 10 30 AFEERN Cc1ccc2ccnc(CC#N)c2c1C 259531731 573620902 /nfs/dbraw/zinc/62/09/02/573620902.db2.gz BROMVCUPTVSBRO-UHFFFAOYSA-N 0 0 196.253 2.918 10 30 AFEERN N#Cc1cncc([C@@H]2CCCS2)c1 259533235 573621014 /nfs/dbraw/zinc/62/10/14/573621014.db2.gz BGCIIZZHMNDYNO-JTQLQIEISA-N 0 0 190.271 2.521 10 30 AFEERN C=CC[C@H]1C[C@@H](C)C(=O)C1(C)C 238451497 573621176 /nfs/dbraw/zinc/62/11/76/573621176.db2.gz OTNBEHZGWGSJHF-BDAKNGLRSA-N 0 0 166.264 2.814 10 30 AFEERN N#CC1(CC2CCCC2)CCOCC1 83776287 573621190 /nfs/dbraw/zinc/62/11/90/573621190.db2.gz YPNBCVRUXVMORF-UHFFFAOYSA-N 0 0 193.290 2.887 10 30 AFEERN CC[C@H](CC#N)c1cnc(C)s1 259531224 573621242 /nfs/dbraw/zinc/62/12/42/573621242.db2.gz AEBJPDRXGKBFBX-MRVPVSSYSA-N 0 0 180.276 2.859 10 30 AFEERN C=CCC[C@H]1CCC(=O)C[C@@H]1C 238451802 573621311 /nfs/dbraw/zinc/62/13/11/573621311.db2.gz MEJKGYDKPZIUQK-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CCc1ccc(C#N)c(C)c1C 82405464 573621453 /nfs/dbraw/zinc/62/14/53/573621453.db2.gz ZCAWHNDAFWXVEL-UHFFFAOYSA-N 0 0 159.232 2.738 10 30 AFEERN C=CCC[C@@H]1CCC(=O)C[C@@H]1C 238451964 573621356 /nfs/dbraw/zinc/62/13/56/573621356.db2.gz MEJKGYDKPZIUQK-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN N#CC1(Cc2cccs2)CCC1 83775991 573621385 /nfs/dbraw/zinc/62/13/85/573621385.db2.gz SEWXBRNBHNGNNL-UHFFFAOYSA-N 0 0 177.272 2.984 10 30 AFEERN CC(C)(C#N)Cc1cccs1 83775594 573621438 /nfs/dbraw/zinc/62/14/38/573621438.db2.gz HJHATFCKHHDNPC-UHFFFAOYSA-N 0 0 165.261 2.840 10 30 AFEERN C#C[C@H](C)CC(=O)c1ccccc1 238452605 573624180 /nfs/dbraw/zinc/62/41/80/573624180.db2.gz NFPHNUDYOOLDRG-JTQLQIEISA-N 0 0 172.227 2.529 10 30 AFEERN Cc1ccccc1[C@@H](N)C(C)(C)C#N 259131904 573623021 /nfs/dbraw/zinc/62/30/21/573623021.db2.gz AVRSDUROMFNLKB-LLVKDONJSA-N 0 0 188.274 2.545 10 30 AFEERN CCC[C@](C)(C#N)CC 83775837 573623158 /nfs/dbraw/zinc/62/31/58/573623158.db2.gz GHFFVPHYASZOTF-MRVPVSSYSA-N 0 0 125.215 2.726 10 30 AFEERN CC[C@](C)(C#N)CC1CCOCC1 83775899 573623167 /nfs/dbraw/zinc/62/31/67/573623167.db2.gz UORKZDZYBDWRLM-NSHDSACASA-N 0 0 181.279 2.743 10 30 AFEERN CC(C)C[C@]1(C#N)CCCCC1=O 83776591 573623258 /nfs/dbraw/zinc/62/32/58/573623258.db2.gz FUWHWALQHOCNAZ-NSHDSACASA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)CC[C@@]1(C#N)CCCC1=O 83776672 573623283 /nfs/dbraw/zinc/62/32/83/573623283.db2.gz XTOSTGHQOLBBKM-LLVKDONJSA-N 0 0 179.263 2.686 10 30 AFEERN N#CC1(C[C@H]2CCCO2)CCCC1 83775636 573623291 /nfs/dbraw/zinc/62/32/91/573623291.db2.gz XUXJJOWDRZWWGM-SNVBAGLBSA-N 0 0 179.263 2.639 10 30 AFEERN CC[C@@](C)(C#N)Cc1cnc(C)s1 83775752 573623298 /nfs/dbraw/zinc/62/32/98/573623298.db2.gz OWDQSFYFUFFUEQ-SNVBAGLBSA-N 0 0 194.303 2.934 10 30 AFEERN C#CCCCCOC(=O)CCCC 308408693 573623305 /nfs/dbraw/zinc/62/33/05/573623305.db2.gz KTHIOMNYVFIBPT-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN Cc1cc(C)c(NCC#N)cc1C 258824670 573623353 /nfs/dbraw/zinc/62/33/53/573623353.db2.gz PMJNNANZDBRGHT-UHFFFAOYSA-N 0 0 174.247 2.547 10 30 AFEERN N#C[C@@]1(CC2CCCC2)CCCC1=O 83776733 573623389 /nfs/dbraw/zinc/62/33/89/573623389.db2.gz UWWZAHRPPLPWAM-LBPRGKRZSA-N 0 0 191.274 2.830 10 30 AFEERN C[C@H]1CCC[C@](C)(CCC#N)C1=O 75569562 573623420 /nfs/dbraw/zinc/62/34/20/573623420.db2.gz JECFMNQGQPNHNZ-GXSJLCMTSA-N 0 0 179.263 2.686 10 30 AFEERN N#CC1(Cc2ccco2)CCCC1 83775629 573623466 /nfs/dbraw/zinc/62/34/66/573623466.db2.gz GREKWFDBGCRLDY-UHFFFAOYSA-N 0 0 175.231 2.906 10 30 AFEERN C[C@H]1CC(=O)C[C@@](C)(CCC#N)C1 238452633 573623594 /nfs/dbraw/zinc/62/35/94/573623594.db2.gz MNYLGAJHJNXMJL-ONGXEEELSA-N 0 0 179.263 2.686 10 30 AFEERN O=CC(F)(F)c1ccc(Cl)cc1 142872024 573623608 /nfs/dbraw/zinc/62/36/08/573623608.db2.gz HWPOMOCUUKVVGK-UHFFFAOYSA-N 0 0 190.576 2.631 10 30 AFEERN C[Si](C)(C)[Si](C)(C)CCC=O 238451573 573623769 /nfs/dbraw/zinc/62/37/69/573623769.db2.gz UAGLLKNLDWTTSK-UHFFFAOYSA-N 0 0 188.419 2.700 10 30 AFEERN CC[C@@H](C)C[C@@]1(C#N)CCCC1=O 83776745 573623772 /nfs/dbraw/zinc/62/37/72/573623772.db2.gz QSUXAZIMUPCRTF-MWLCHTKSSA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@](C)(C#N)Cc1cnc(C)s1 83775751 573623923 /nfs/dbraw/zinc/62/39/23/573623923.db2.gz OWDQSFYFUFFUEQ-JTQLQIEISA-N 0 0 194.303 2.934 10 30 AFEERN COCC[C@]1(C#N)CCC[C@H](C)C1 83776126 573623942 /nfs/dbraw/zinc/62/39/42/573623942.db2.gz WOESWFPVTWVUTH-WDEREUQCSA-N 0 0 181.279 2.743 10 30 AFEERN C[C@@H](C#N)CC[C@H]1CCCCC1=O 75569604 573623956 /nfs/dbraw/zinc/62/39/56/573623956.db2.gz BQHXHEUSXGXLRZ-NXEZZACHSA-N 0 0 179.263 2.686 10 30 AFEERN N#C[C@]1(CC2CCCC2)CCCC1=O 83776734 573623974 /nfs/dbraw/zinc/62/39/74/573623974.db2.gz UWWZAHRPPLPWAM-GFCCVEGCSA-N 0 0 191.274 2.830 10 30 AFEERN C=CCNc1ccc(NCC)cc1 142891085 573624041 /nfs/dbraw/zinc/62/40/41/573624041.db2.gz NWWQNJPJIPIQRS-UHFFFAOYSA-N 0 0 176.263 2.716 10 30 AFEERN CC1=CC(=O)c2c(C)cccc21 238452784 573624079 /nfs/dbraw/zinc/62/40/79/573624079.db2.gz FWYNQGWREMPIGE-UHFFFAOYSA-N 0 0 158.200 2.595 10 30 AFEERN N#CC1(Cc2cscn2)CCCC1 83775712 573624268 /nfs/dbraw/zinc/62/42/68/573624268.db2.gz ULFBOYCLJLZIEH-UHFFFAOYSA-N 0 0 192.287 2.770 10 30 AFEERN CC[C@@H](C)CC1(C#N)CCOCC1 83776292 573624407 /nfs/dbraw/zinc/62/44/07/573624407.db2.gz JNXCGELINFRPOP-SNVBAGLBSA-N 0 0 181.279 2.743 10 30 AFEERN C=CCC[C@]1(C)CC(=O)C[C@@H]1C 238452655 573624475 /nfs/dbraw/zinc/62/44/75/573624475.db2.gz SGSBUBPBSRICQR-GXSJLCMTSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C)CC[C@]1(C#N)CCOC1 83776364 573624495 /nfs/dbraw/zinc/62/44/95/573624495.db2.gz YAJUBIDCBZHEBE-LLVKDONJSA-N 0 0 181.279 2.743 10 30 AFEERN COCC[C@@]1(C#N)CCC[C@H](C)C1 83776124 573624503 /nfs/dbraw/zinc/62/45/03/573624503.db2.gz WOESWFPVTWVUTH-QWRGUYRKSA-N 0 0 181.279 2.743 10 30 AFEERN CC[C@H](C)C[C@@]1(C#N)CCCC1=O 83776746 573624608 /nfs/dbraw/zinc/62/46/08/573624608.db2.gz QSUXAZIMUPCRTF-GXSJLCMTSA-N 0 0 179.263 2.686 10 30 AFEERN Cc1ncc(CC(C)(C)C#N)s1 83775566 573624675 /nfs/dbraw/zinc/62/46/75/573624675.db2.gz VIVAGPHZGFMONR-UHFFFAOYSA-N 0 0 180.276 2.544 10 30 AFEERN C[C@@H]1CC[C@H](C(C)(C)C#N)C(=O)C1 75569500 573624840 /nfs/dbraw/zinc/62/48/40/573624840.db2.gz IAZHGWOCMDEPHK-BDAKNGLRSA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)(F)[C@@H](CC=O)C1CCC1 257834148 573624892 /nfs/dbraw/zinc/62/48/92/573624892.db2.gz KOHVNYVOJMSGNZ-VIFPVBQESA-N 0 0 172.243 2.740 10 30 AFEERN CCC[C@@](C)(C#N)CC 83775838 573624918 /nfs/dbraw/zinc/62/49/18/573624918.db2.gz GHFFVPHYASZOTF-QMMMGPOBSA-N 0 0 125.215 2.726 10 30 AFEERN CCCC1(C#N)CCCC1 83775670 573624927 /nfs/dbraw/zinc/62/49/27/573624927.db2.gz MSBCMRPXEBSMGT-UHFFFAOYSA-N 0 0 137.226 2.870 10 30 AFEERN C[C@H]1CC[C@H](C(C)(C)C#N)C(=O)C1 75569505 573625075 /nfs/dbraw/zinc/62/50/75/573625075.db2.gz IAZHGWOCMDEPHK-IUCAKERBSA-N 0 0 179.263 2.541 10 30 AFEERN CC1CCC(C)(C#N)CC1 83776226 573626450 /nfs/dbraw/zinc/62/64/50/573626450.db2.gz GCHKUDUTOFOFLA-UHFFFAOYSA-N 0 0 137.226 2.726 10 30 AFEERN CC(=O)[C@](C)(C#N)CCC(C)(C)C 83776831 573626982 /nfs/dbraw/zinc/62/69/82/573626982.db2.gz PGJBHUNIOHCBHG-NSHDSACASA-N 0 0 181.279 2.932 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)C(=C)C 238453793 573625970 /nfs/dbraw/zinc/62/59/70/573625970.db2.gz BFAXXWFVAFFSDE-SECBINFHSA-N 0 0 152.237 2.734 10 30 AFEERN C[C@@H]1CCC[C@](C)(CCC#N)C1=O 75569561 573625983 /nfs/dbraw/zinc/62/59/83/573625983.db2.gz JECFMNQGQPNHNZ-MWLCHTKSSA-N 0 0 179.263 2.686 10 30 AFEERN CN(C1CCCCC1)C(C)(C)C#N 75570364 573625988 /nfs/dbraw/zinc/62/59/88/573625988.db2.gz DGWPDIOROVIISY-UHFFFAOYSA-N 0 0 180.295 2.553 10 30 AFEERN C=C[C@]1(C)CCC[C@H](C)C1=O 238454135 573625989 /nfs/dbraw/zinc/62/59/89/573625989.db2.gz XCKISADUBZGOIL-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ncc(CC2(C#N)CCC2)s1 83775950 573626016 /nfs/dbraw/zinc/62/60/16/573626016.db2.gz XFALUUJGGAGZQV-UHFFFAOYSA-N 0 0 192.287 2.688 10 30 AFEERN CCCC[C@@]1(C#N)CCCCC1=O 83776580 573626114 /nfs/dbraw/zinc/62/61/14/573626114.db2.gz WEBUTWVZHSGAMK-NSHDSACASA-N 0 0 179.263 2.830 10 30 AFEERN CC(C)(C#N)Cc1ccsc1 83775602 573626138 /nfs/dbraw/zinc/62/61/38/573626138.db2.gz MMYBOWBSBFJCDK-UHFFFAOYSA-N 0 0 165.261 2.840 10 30 AFEERN CCCC[C@]1(C#N)CCCCC1=O 83776579 573626180 /nfs/dbraw/zinc/62/61/80/573626180.db2.gz WEBUTWVZHSGAMK-LLVKDONJSA-N 0 0 179.263 2.830 10 30 AFEERN CC(C)N(CC#N)CC1(C)CCCC1 308650110 573626215 /nfs/dbraw/zinc/62/62/15/573626215.db2.gz JQJMJGVSUGXXKS-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN CC[C@@H](C)C[C@]1(C#N)CCCC1=O 83776743 573626422 /nfs/dbraw/zinc/62/64/22/573626422.db2.gz QSUXAZIMUPCRTF-KOLCDFICSA-N 0 0 179.263 2.686 10 30 AFEERN COCC[C@@]1(C#N)CCC[C@@H](C)C1 83776123 573626323 /nfs/dbraw/zinc/62/63/23/573626323.db2.gz WOESWFPVTWVUTH-MNOVXSKESA-N 0 0 181.279 2.743 10 30 AFEERN C[C@H]1CCC[C@@](C)(CCC#N)C1=O 75569560 573626400 /nfs/dbraw/zinc/62/64/00/573626400.db2.gz JECFMNQGQPNHNZ-ONGXEEELSA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)c1noc(C#N)c1C(C)C 259533887 573626477 /nfs/dbraw/zinc/62/64/77/573626477.db2.gz ULXAGMPXNYQJOI-UHFFFAOYSA-N 0 0 178.235 2.793 10 30 AFEERN Cc1c(C#N)cc(C(C)(C)C)n1C 259133543 573626500 /nfs/dbraw/zinc/62/65/00/573626500.db2.gz JIOYPKKUROLUOG-UHFFFAOYSA-N 0 0 176.263 2.503 10 30 AFEERN CC[C@@H]1CCC[C@H](OCC[C@H]2CO2)C1 308660060 573626602 /nfs/dbraw/zinc/62/66/02/573626602.db2.gz PHAGHTJOFJXUQB-WOPDTQHZSA-N 0 0 198.306 2.761 10 30 AFEERN C=C(C)C[C@@H](C)[C@@H]1CCCC1=O 238453896 573626668 /nfs/dbraw/zinc/62/66/68/573626668.db2.gz ONLYSFHDNBLURM-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC(=O)[C@H]1CCCC[C@H]1C 238454309 573626794 /nfs/dbraw/zinc/62/67/94/573626794.db2.gz VKGIEGBRLGSHHH-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@@H]1CCC[C@H](OCC[C@@H]2CO2)C1 308660055 573626795 /nfs/dbraw/zinc/62/67/95/573626795.db2.gz PHAGHTJOFJXUQB-GRYCIOLGSA-N 0 0 198.306 2.761 10 30 AFEERN C[C@]1(CC=O)CCCc2ccccc21 75578761 573627794 /nfs/dbraw/zinc/62/77/94/573627794.db2.gz DLWUJUMIZRWXDO-CYBMUJFWSA-N 0 0 188.270 2.870 10 30 AFEERN C[C@@H]1C=Cc2ccccc2[C@@]1(C)C=O 75577308 573627890 /nfs/dbraw/zinc/62/78/90/573627890.db2.gz KHNROPKRRMDZOC-MFKMUULPSA-N 0 0 186.254 2.806 10 30 AFEERN C=CCNN=C1CCC[C@@H]1CCC 308409507 573627903 /nfs/dbraw/zinc/62/79/03/573627903.db2.gz LBUVYIBVDUOUCF-JTQLQIEISA-N 0 0 180.295 2.718 10 30 AFEERN C[C@@](C#N)(CCC#N)c1ccccc1 75576627 573629657 /nfs/dbraw/zinc/62/96/57/573629657.db2.gz WUVVGBQIBSAMSH-LBPRGKRZSA-N 0 0 184.242 2.772 10 30 AFEERN CNN=CC[C@H](C)CCC=C(C)C 308409546 573629663 /nfs/dbraw/zinc/62/96/63/573629663.db2.gz LDLBZRFQKVUCKF-LLVKDONJSA-N 0 0 182.311 2.964 10 30 AFEERN Cc1ccc(C)c(-c2cnoc2C#N)c1 259533795 573630521 /nfs/dbraw/zinc/63/05/21/573630521.db2.gz YVWSHGFQMNZRIW-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN O=C[C@H]1CCC=C[C@@H]1c1ccccc1 75577320 573630523 /nfs/dbraw/zinc/63/05/23/573630523.db2.gz BQEJGRDTUMVATJ-CHWSQXEVSA-N 0 0 186.254 2.935 10 30 AFEERN Cc1ccc2[nH]c3c(c2c1)C[C@H](C#N)C3 259533712 573630601 /nfs/dbraw/zinc/63/06/01/573630601.db2.gz BYGBYKIKJHKUDU-VIFPVBQESA-N 0 0 196.253 2.715 10 30 AFEERN CC(=O)[C@@](C)(C#N)CC1CCCC1 83776892 573630688 /nfs/dbraw/zinc/63/06/88/573630688.db2.gz BNYJPSYNJQNKDX-LLVKDONJSA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@H]1Cc2ccccc2C[C@H]1C=O 75578768 573630707 /nfs/dbraw/zinc/63/07/07/573630707.db2.gz OICRIFRHBABPJQ-GWCFXTLKSA-N 0 0 188.270 2.627 10 30 AFEERN C=CCN=NC1CCC[C@H]1CCC 308409508 573630827 /nfs/dbraw/zinc/63/08/27/573630827.db2.gz LBUVYIBVDUOUCF-SNVBAGLBSA-N 0 0 180.295 2.718 10 30 AFEERN CCCC[C@@]1(C#N)CCCC[C@H]1O 75575774 573630971 /nfs/dbraw/zinc/63/09/71/573630971.db2.gz YLEPMLTYWWCGBK-MNOVXSKESA-N 0 0 181.279 2.621 10 30 AFEERN CC(C)(C)C1CCC(/C(N)=N/O)CC1 83781135 573631016 /nfs/dbraw/zinc/63/10/16/573631016.db2.gz DCCGDEJLWXRMJL-UHFFFAOYSA-N 0 0 198.310 2.585 10 30 AFEERN O=C[C@@H]1CCC=C[C@@H]1c1ccccc1 75577323 573631091 /nfs/dbraw/zinc/63/10/91/573631091.db2.gz BQEJGRDTUMVATJ-QWHCGFSZSA-N 0 0 186.254 2.935 10 30 AFEERN CC(C)(C#N)C1(C2CCCC2)COC1 258504761 573631151 /nfs/dbraw/zinc/63/11/51/573631151.db2.gz FKJFCGKMQSRFMV-UHFFFAOYSA-N 0 0 193.290 2.743 10 30 AFEERN N#Cc1cscc1-c1cncs1 259535309 573631230 /nfs/dbraw/zinc/63/12/30/573631230.db2.gz BZTITNNNKZINHZ-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN Cc1cc(O)cc(C)c1CCCC#N 107490837 573632969 /nfs/dbraw/zinc/63/29/69/573632969.db2.gz SLVVXEOHTNZJNH-UHFFFAOYSA-N 0 0 189.258 2.855 10 30 AFEERN C=CC[C@@](C#N)(N(C)C)C(C)(C)C=C 75581045 573632950 /nfs/dbraw/zinc/63/29/50/573632950.db2.gz JKIVOOMHYOUZBA-LBPRGKRZSA-N 0 0 192.306 2.599 10 30 AFEERN N#Cc1cccc2ccn(C3CC3)c12 259535895 573633198 /nfs/dbraw/zinc/63/31/98/573633198.db2.gz BMJRESYSUWGDON-UHFFFAOYSA-N 0 0 182.226 2.848 10 30 AFEERN [N-]=[N+]=Nc1nc2ccccc2cc1C=O 238688861 573633254 /nfs/dbraw/zinc/63/32/54/573633254.db2.gz KKKJJZBDKNXWNS-UHFFFAOYSA-N 0 0 198.185 2.989 10 30 AFEERN C=CCON=C(C)c1ccccc1 254750499 573633302 /nfs/dbraw/zinc/63/33/02/573633302.db2.gz BIZCVSUSUXOQRA-UHFFFAOYSA-N 0 0 175.231 2.613 10 30 AFEERN C=C[C@](C)(CCO)c1ccccc1 238478003 573633323 /nfs/dbraw/zinc/63/33/23/573633323.db2.gz KISJFTFSNJALIF-GFCCVEGCSA-N 0 0 176.259 2.513 10 30 AFEERN CC(=O)[C@H]1CCC=C[C@H]1C(C)(C)C#N 75580251 573633366 /nfs/dbraw/zinc/63/33/66/573633366.db2.gz ZOQKHBDSGCXVRD-GHMZBOCLSA-N 0 0 191.274 2.708 10 30 AFEERN Cc1ccc(O)c(C(=NO)C(C)C)c1 254757985 573633422 /nfs/dbraw/zinc/63/34/22/573633422.db2.gz FOWQJTQVVSLNDK-UHFFFAOYSA-N 0 0 193.246 2.535 10 30 AFEERN C[C@H]1CC[C@](C=O)(c2ccccc2)C1 238459998 573633714 /nfs/dbraw/zinc/63/37/14/573633714.db2.gz ZYUVBBPLALTQJG-AAEUAGOBSA-N 0 0 188.270 2.943 10 30 AFEERN C[C@H]1CCC[C@H](CCCC#N)C1=O 238459102 573633851 /nfs/dbraw/zinc/63/38/51/573633851.db2.gz SHDZKKOODWVJCP-UWVGGRQHSA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@H](C#N)C(=O)c1cscc1C 86815697 573633991 /nfs/dbraw/zinc/63/39/91/573633991.db2.gz UWFVLAFRQRBPSF-MRVPVSSYSA-N 0 0 193.271 2.789 10 30 AFEERN N#Cc1occc1-c1ccc(F)cc1 259536346 573634061 /nfs/dbraw/zinc/63/40/61/573634061.db2.gz ZFTJBLOICVTAMI-UHFFFAOYSA-N 0 0 187.173 2.957 10 30 AFEERN C=C1CC(C)(C)C[C@H](C)[C@H]1C=O 238460293 573635306 /nfs/dbraw/zinc/63/53/06/573635306.db2.gz YXCZHBCRIVVTDF-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN CCCCCCCCC(=O)COC 107543352 573635729 /nfs/dbraw/zinc/63/57/29/573635729.db2.gz YGSGCPYXHWETIY-UHFFFAOYSA-N 0 0 186.295 2.953 10 30 AFEERN C=CCC/C=C(/C)CCCO 238477185 573635186 /nfs/dbraw/zinc/63/51/86/573635186.db2.gz IHPIHMAYUODKHG-YFHOEESVSA-N 0 0 154.253 2.671 10 30 AFEERN C=C1CCCC[Si]1(C)CCC=O 238461309 573635835 /nfs/dbraw/zinc/63/58/35/573635835.db2.gz CSTSXMVDYJWXKJ-UHFFFAOYSA-N 0 0 182.339 2.933 10 30 AFEERN C[C@H](F)c1ccc(CCC=O)cc1 221657103 573635329 /nfs/dbraw/zinc/63/53/29/573635329.db2.gz AIUBDQSGMMHCBJ-VIFPVBQESA-N 0 0 180.222 2.849 10 30 AFEERN Cc1ccc([C@H]2[C@@H](C=O)[C@@H]2C)cc1 238460323 573635591 /nfs/dbraw/zinc/63/55/91/573635591.db2.gz YTQONIPKSUOGOM-DLOVCJGASA-N 0 0 174.243 2.543 10 30 AFEERN C=C[C@@H]1CC(C)(C)[C@@H](C)[C@@H]1C=O 238460393 573635698 /nfs/dbraw/zinc/63/56/98/573635698.db2.gz XQLOFLCCTFICMO-AEJSXWLSSA-N 0 0 166.264 2.670 10 30 AFEERN Cc1cc(C)cc(-c2c[nH]nc2C#N)c1 259538251 573635744 /nfs/dbraw/zinc/63/57/44/573635744.db2.gz ZHYROPOTOGPFIC-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN C[C@H](C=O)[C@@H]1CC(C)(C)C[C@@H]1C 238461070 573635774 /nfs/dbraw/zinc/63/57/74/573635774.db2.gz MIGLSAUGGYMUTK-IVZWLZJFSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCc1cccc2ncccc12 96610501 573636788 /nfs/dbraw/zinc/63/67/88/573636788.db2.gz BHJDPQOAJYAFLK-UHFFFAOYSA-N 0 0 169.227 2.963 10 30 AFEERN C[C@@H](S)C(C)(C)c1ccc(O)cc1 257834485 573636941 /nfs/dbraw/zinc/63/69/41/573636941.db2.gz AADKICYXBYDLJX-MRVPVSSYSA-N 0 0 196.315 2.988 10 30 AFEERN CC#C[C@H](C)Cc1cccs1 107595027 573636979 /nfs/dbraw/zinc/63/69/79/573636979.db2.gz BMCOVGZDQPJHAA-VIFPVBQESA-N 0 0 164.273 2.950 10 30 AFEERN C=CC[C@](C#N)(N(C)C)C(C)(C)C=C 75581044 573637037 /nfs/dbraw/zinc/63/70/37/573637037.db2.gz JKIVOOMHYOUZBA-GFCCVEGCSA-N 0 0 192.306 2.599 10 30 AFEERN CC[C@H](C#N)NCCC1(C)CCCC1 308650885 573640079 /nfs/dbraw/zinc/64/00/79/573640079.db2.gz KBWNLKYOJCBGBA-LLVKDONJSA-N 0 0 194.322 2.849 10 30 AFEERN CC[C@@H](C#N)NCCC1(C)CCCC1 308650886 573639963 /nfs/dbraw/zinc/63/99/63/573639963.db2.gz KBWNLKYOJCBGBA-NSHDSACASA-N 0 0 194.322 2.849 10 30 AFEERN CC[C@@]1(C#N)CCOc2ccccc21 83791929 573639445 /nfs/dbraw/zinc/63/94/45/573639445.db2.gz DLZSIMVQRSXJLH-LBPRGKRZSA-N 0 0 187.242 2.640 10 30 AFEERN CCC(CC)c1ncc(C#N)s1 82416963 573639488 /nfs/dbraw/zinc/63/94/88/573639488.db2.gz AVMADKBCIVMBCF-UHFFFAOYSA-N 0 0 180.276 2.918 10 30 AFEERN CC[C@H]1CC[C@@](C)(C#N)C1 83791710 573639613 /nfs/dbraw/zinc/63/96/13/573639613.db2.gz OVBUFPZPHZMQME-DTWKUNHWSA-N 0 0 137.226 2.726 10 30 AFEERN CC(C)/C(=N\O)c1cccs1 213164912 573639622 /nfs/dbraw/zinc/63/96/22/573639622.db2.gz DXKDJJMXWQZEDB-CMDGGOBGSA-N 0 0 169.249 2.582 10 30 AFEERN Cn1cc(NCCC#N)c2ccccc21 258827659 573639651 /nfs/dbraw/zinc/63/96/51/573639651.db2.gz AZLOWYISFMEKPE-UHFFFAOYSA-N 0 0 199.257 2.504 10 30 AFEERN CC[C@H](C)CN(CC)[C@@H](C#N)CC 223323308 573642800 /nfs/dbraw/zinc/64/28/00/573642800.db2.gz URBTUNAVKYOXRI-WDEREUQCSA-N 0 0 182.311 2.657 10 30 AFEERN C[C@@H](C=O)[C@H]1CCc2ccccc2C1 257845062 573640970 /nfs/dbraw/zinc/64/09/70/573640970.db2.gz NLDWQRAWKGGRPQ-JQWIXIFHSA-N 0 0 188.270 2.627 10 30 AFEERN CC1(C)[C@@H](C#N)[C@H]1C1CCCC1 259537352 573640998 /nfs/dbraw/zinc/64/09/98/573640998.db2.gz FWVOPSRFRFRORX-VHSXEESVSA-N 0 0 163.264 2.972 10 30 AFEERN C=C(C)[C@@H](CCC(C)=O)C[C@@H](O)CC 206024381 573641183 /nfs/dbraw/zinc/64/11/83/573641183.db2.gz KITRGUVQIVDBCE-RYUDHWBXSA-N 0 0 198.306 2.709 10 30 AFEERN C#CC[C@H](CCCCCCCC)NN 126708162 573641327 /nfs/dbraw/zinc/64/13/27/573641327.db2.gz IKEADFYTMBDBFG-GFCCVEGCSA-N 0 0 196.338 2.592 10 30 AFEERN CC1(C)[C@@H](C2CCCC2)[C@H]1C#N 259537354 573641379 /nfs/dbraw/zinc/64/13/79/573641379.db2.gz FWVOPSRFRFRORX-ZJUUUORDSA-N 0 0 163.264 2.972 10 30 AFEERN C[C@H](C=O)[C@@H]1CCc2ccccc2C1 257845066 573641381 /nfs/dbraw/zinc/64/13/81/573641381.db2.gz NLDWQRAWKGGRPQ-ZYHUDNBSSA-N 0 0 188.270 2.627 10 30 AFEERN Cc1cccc(C[C@@H](C)C=O)c1F 238461531 573641433 /nfs/dbraw/zinc/64/14/33/573641433.db2.gz BHEJLZUDBWFIAG-MRVPVSSYSA-N 0 0 180.222 2.512 10 30 AFEERN CCCCC1=C(N)CC(C)(C)CC1=O 75598443 573641474 /nfs/dbraw/zinc/64/14/74/573641474.db2.gz YCJHOHPBKGYERO-UHFFFAOYSA-N 0 0 195.306 2.779 10 30 AFEERN COc1ccc(CC(C)(C)S)cc1 258827579 573641491 /nfs/dbraw/zinc/64/14/91/573641491.db2.gz OZJZBRPUEFCIML-UHFFFAOYSA-N 0 0 196.315 2.946 10 30 AFEERN C=C(C)[C@@H](CCC(C)=O)C[C@H](O)CC 206024407 573641517 /nfs/dbraw/zinc/64/15/17/573641517.db2.gz KITRGUVQIVDBCE-NWDGAFQWSA-N 0 0 198.306 2.709 10 30 AFEERN C=C1C(=O)CC[C@]12CC[C@H](C)C2 238461319 573641521 /nfs/dbraw/zinc/64/15/21/573641521.db2.gz JYAKPTXGBDFTMQ-KWQFWETISA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@H]([NH2+]CC)c1cccc(C)c1F 130666814 573642833 /nfs/dbraw/zinc/64/28/33/573642833.db2.gz RUSPDXCGAISKJV-NSHDSACASA-N 0 0 193.265 2.971 10 30 AFEERN CC1(C)CCCC[C@@]1(C#N)NC1CC1 86847270 573641792 /nfs/dbraw/zinc/64/17/92/573641792.db2.gz SNJPYHOCGODOFB-LBPRGKRZSA-N 0 0 192.306 2.601 10 30 AFEERN Cc1ccc(NCC(C)(C)C#N)cc1 258558407 573641835 /nfs/dbraw/zinc/64/18/35/573641835.db2.gz BIBXMUADAOEDEQ-UHFFFAOYSA-N 0 0 188.274 2.957 10 30 AFEERN C=C(CC)CC(=O)[C@H](OCC)C1CC1 132172863 573641836 /nfs/dbraw/zinc/64/18/36/573641836.db2.gz CQYZADXPZVCBOW-GFCCVEGCSA-N 0 0 196.290 2.727 10 30 AFEERN CC1(C)[C@@H](C#N)[C@@H]1C1CCCC1 259537351 573642209 /nfs/dbraw/zinc/64/22/09/573642209.db2.gz FWVOPSRFRFRORX-UWVGGRQHSA-N 0 0 163.264 2.972 10 30 AFEERN O=CC1CCC(c2ccncc2)CC1 259147782 573642283 /nfs/dbraw/zinc/64/22/83/573642283.db2.gz GUQZTKGXSHLIRE-UHFFFAOYSA-N 0 0 189.258 2.554 10 30 AFEERN CCCCCCCC=NO 263597021 573642333 /nfs/dbraw/zinc/64/23/33/573642333.db2.gz GGZXEEFQIXMFBF-UHFFFAOYSA-N 0 0 143.230 2.807 10 30 AFEERN CC=CC(=O)C1=C(C)C[C@H](C)C1 238463140 573642348 /nfs/dbraw/zinc/64/23/48/573642348.db2.gz YFUPSKIPIUFCBA-QMMMGPOBSA-N 0 0 164.248 2.878 10 30 AFEERN C=CCC(=O)[C@@H]1CCCC[C@H]1C 238462852 573642377 /nfs/dbraw/zinc/64/23/77/573642377.db2.gz VKGIEGBRLGSHHH-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN COC(=O)CCC(C)(C)C(C)(C)C#N 75600045 573642457 /nfs/dbraw/zinc/64/24/57/573642457.db2.gz MGKCGDWTJUEQLX-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN CC1(C)[C@H](C#N)[C@H]1C1CCCC1 259537350 573642489 /nfs/dbraw/zinc/64/24/89/573642489.db2.gz FWVOPSRFRFRORX-NXEZZACHSA-N 0 0 163.264 2.972 10 30 AFEERN C[C@H]1CC2=C(C(=O)CC2)[C@H](C)C1 238462923 573642652 /nfs/dbraw/zinc/64/26/52/573642652.db2.gz JRJRAVLZGARQRE-HTQZYQBOSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C[C@@H](C)CC(C)(C)[C@@H]1C=O 238462836 573642661 /nfs/dbraw/zinc/64/26/61/573642661.db2.gz VCKUWUSQGCAERM-PSASIEDQSA-N 0 0 166.264 2.814 10 30 AFEERN C=CCNc1cc(C)n2ccccc12 238462765 573642719 /nfs/dbraw/zinc/64/27/19/573642719.db2.gz FKVMITPKQCAATJ-UHFFFAOYSA-N 0 0 186.258 2.846 10 30 AFEERN CC1=C(C)[C@H](C)[C@H](C=O)[C@@H](C)C1 238463654 573644524 /nfs/dbraw/zinc/64/45/24/573644524.db2.gz LPKBGVSTSHRQJO-INTQDDNPSA-N 0 0 166.264 2.814 10 30 AFEERN O=CC[C@H]1Cc2cccc(Cl)c2C1 257838726 573643721 /nfs/dbraw/zinc/64/37/21/573643721.db2.gz LMNUTMMMGHQLNT-QMMMGPOBSA-N 0 0 194.661 2.644 10 30 AFEERN CC(C)N[C@]1(C#N)CCCCC1(C)C 86847264 573643858 /nfs/dbraw/zinc/64/38/58/573643858.db2.gz WUDFYKHNJGGVEL-LBPRGKRZSA-N 0 0 194.322 2.847 10 30 AFEERN CC1=C(C)C(=O)[C@H](C)[C@@H](C)C1 238463246 573643889 /nfs/dbraw/zinc/64/38/89/573643889.db2.gz IHGUYADFLRRZLX-POYBYMJQSA-N 0 0 152.237 2.568 10 30 AFEERN CCCN[C@]1(C#N)CCCCC1(C)C 86847259 573643926 /nfs/dbraw/zinc/64/39/26/573643926.db2.gz IMGVQCXUHXCBIB-LBPRGKRZSA-N 0 0 194.322 2.849 10 30 AFEERN C[C@H](C#N)N(C)CCC1CCCCC1 258829936 573643942 /nfs/dbraw/zinc/64/39/42/573643942.db2.gz PYVHTLXSSBTWOW-LLVKDONJSA-N 0 0 194.322 2.801 10 30 AFEERN O=CC[C@@H]1Cc2cccc(Cl)c2C1 257838724 573644199 /nfs/dbraw/zinc/64/41/99/573644199.db2.gz LMNUTMMMGHQLNT-MRVPVSSYSA-N 0 0 194.661 2.644 10 30 AFEERN Cc1ccc(CC#N)c(OC(F)F)c1 238463571 573644497 /nfs/dbraw/zinc/64/44/97/573644497.db2.gz KKJCZQNAJRUSEK-UHFFFAOYSA-N 0 0 197.184 2.663 10 30 AFEERN CC1=C(C)[C@H](C)[C@@H](C=O)[C@@H](C)C1 238463666 573644541 /nfs/dbraw/zinc/64/45/41/573644541.db2.gz LPKBGVSTSHRQJO-LSJOCFKGSA-N 0 0 166.264 2.814 10 30 AFEERN CC(=O)C1=C(C)C[C@H](C)[C@@H]1C 238463191 573644545 /nfs/dbraw/zinc/64/45/45/573644545.db2.gz LWKGUJISZFYCCE-XPUUQOCRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)c1ccc(C)cc1F 107767385 573644549 /nfs/dbraw/zinc/64/45/49/573644549.db2.gz BABDZGLGAKBOPM-UHFFFAOYSA-N 0 0 164.179 2.503 10 30 AFEERN C=CC[C@@](C)(C#N)c1ccc(C#N)cc1 259541911 573644655 /nfs/dbraw/zinc/64/46/55/573644655.db2.gz MIUSYCZHAMIQIG-ZDUSSCGKSA-N 0 0 196.253 2.916 10 30 AFEERN Cc1ccccc1Cc1cc[nH]c1C#N 259540629 573644686 /nfs/dbraw/zinc/64/46/86/573644686.db2.gz CMYUOFLDSDMAHN-UHFFFAOYSA-N 0 0 196.253 2.786 10 30 AFEERN CC1(C)CCCC[C@@H]1C#N 86844911 573644763 /nfs/dbraw/zinc/64/47/63/573644763.db2.gz VBIFYHWGAPFSKM-MRVPVSSYSA-N 0 0 137.226 2.726 10 30 AFEERN CCCN[C@@]1(C#N)CCCCC1(C)C 86847261 573644975 /nfs/dbraw/zinc/64/49/75/573644975.db2.gz IMGVQCXUHXCBIB-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN Fc1ccc(SCS)cc1 259149731 573645140 /nfs/dbraw/zinc/64/51/40/573645140.db2.gz FOLCTGCFSJJOHJ-UHFFFAOYSA-N 0 0 174.265 2.805 10 30 AFEERN C=C[C@@]1(C)CCC[C@H](C)C1=O 238463791 573645161 /nfs/dbraw/zinc/64/51/61/573645161.db2.gz XCKISADUBZGOIL-WPRPVWTQSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=C(C)C(=O)[C@@H](C)[C@@H](C)C1 238463263 573645220 /nfs/dbraw/zinc/64/52/20/573645220.db2.gz IHGUYADFLRRZLX-XPUUQOCRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCCCC(=O)[C@@H](OCC)C1CC1 132178750 573647070 /nfs/dbraw/zinc/64/70/70/573647070.db2.gz QTYSKVKSVKTVAZ-LBPRGKRZSA-N 0 0 196.290 2.727 10 30 AFEERN SCNc1ccc(Cl)s1 258830371 573645351 /nfs/dbraw/zinc/64/53/51/573645351.db2.gz BGZKJVZOZZXZQM-UHFFFAOYSA-N 0 0 179.697 2.701 10 30 AFEERN C=CCN[C@]1(C#N)CCCCC1(C)C 86847430 573645463 /nfs/dbraw/zinc/64/54/63/573645463.db2.gz PPLWQMZWQHJFEX-LBPRGKRZSA-N 0 0 192.306 2.625 10 30 AFEERN CC1=C(C)C(=O)C(C)(C)[C@@H](C)C1 238463226 573645476 /nfs/dbraw/zinc/64/54/76/573645476.db2.gz BYRRSAATMBSZRW-QMMMGPOBSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H]([NH2+]CC)c1cccc(C)c1F 130667011 573645889 /nfs/dbraw/zinc/64/58/89/573645889.db2.gz RUSPDXCGAISKJV-LLVKDONJSA-N 0 0 193.265 2.971 10 30 AFEERN CC(C)N[C@@]1(C#N)CCCCC1(C)C 86847267 573646036 /nfs/dbraw/zinc/64/60/36/573646036.db2.gz WUDFYKHNJGGVEL-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN CC1(C)CCCC[C@]1(C#N)NC1CC1 86847272 573646110 /nfs/dbraw/zinc/64/61/10/573646110.db2.gz SNJPYHOCGODOFB-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN C=CCN[C@@]1(C#N)CCCCC1(C)C 86847433 573646196 /nfs/dbraw/zinc/64/61/96/573646196.db2.gz PPLWQMZWQHJFEX-GFCCVEGCSA-N 0 0 192.306 2.625 10 30 AFEERN C=CC[C@](C)(C#N)c1ccc(C#N)cc1 259541909 573646287 /nfs/dbraw/zinc/64/62/87/573646287.db2.gz MIUSYCZHAMIQIG-CYBMUJFWSA-N 0 0 196.253 2.916 10 30 AFEERN CC(=O)C1=C(C)C[C@H](C)[C@H]1C 238463178 573646729 /nfs/dbraw/zinc/64/67/29/573646729.db2.gz LWKGUJISZFYCCE-POYBYMJQSA-N 0 0 152.237 2.568 10 30 AFEERN COc1ccc(NCS)c(C)c1C 258835345 573646378 /nfs/dbraw/zinc/64/63/78/573646378.db2.gz BSIOVBFDPJSQJQ-UHFFFAOYSA-N 0 0 197.303 2.611 10 30 AFEERN Cc1ccc(OC(F)F)c(CC#N)c1 238464006 573646574 /nfs/dbraw/zinc/64/65/74/573646574.db2.gz GLIYZFVKVVQSGF-UHFFFAOYSA-N 0 0 197.184 2.663 10 30 AFEERN C[C@@H](S)C1(c2ccccc2O)CC1 257838901 573646881 /nfs/dbraw/zinc/64/68/81/573646881.db2.gz BBQJTLKXRCKODS-MRVPVSSYSA-N 0 0 194.299 2.742 10 30 AFEERN C[C@@H]1Cc2ccc(CCC=O)cc2C1 258080735 573648565 /nfs/dbraw/zinc/64/85/65/573648565.db2.gz NEXSBQRJMYIPMX-SNVBAGLBSA-N 0 0 188.270 2.553 10 30 AFEERN CC(C)(C#N)[C@@]1(O)CCCCC1(C)C 86850529 573648595 /nfs/dbraw/zinc/64/85/95/573648595.db2.gz ZUCZGEGJSYQCJN-GFCCVEGCSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1ccc(N(C)CS)cc1C 258835473 573647997 /nfs/dbraw/zinc/64/79/97/573647997.db2.gz BTJVVCJVFQXPJE-UHFFFAOYSA-N 0 0 181.304 2.627 10 30 AFEERN Cc1ccc(-c2[nH]nc(C#N)c2C)cc1 259540844 573648007 /nfs/dbraw/zinc/64/80/07/573648007.db2.gz ZPHGHLCLRVQBGQ-UHFFFAOYSA-N 0 0 197.241 2.565 10 30 AFEERN Cc1cc(O)c(C(C)(C)C#N)cc1C 238465682 573648340 /nfs/dbraw/zinc/64/83/40/573648340.db2.gz IZXXTPZEHOIHPI-UHFFFAOYSA-N 0 0 189.258 2.810 10 30 AFEERN C=C[C@]1(O)CCCCC1(C)C 86848792 573648405 /nfs/dbraw/zinc/64/84/05/573648405.db2.gz ZJHGFAMBMZQFLN-JTQLQIEISA-N 0 0 154.253 2.504 10 30 AFEERN C[C@@H](S)C1(c2ccc(O)cc2)CC1 258075148 573651350 /nfs/dbraw/zinc/65/13/50/573651350.db2.gz LWIZYEWJVVHKEA-MRVPVSSYSA-N 0 0 194.299 2.742 10 30 AFEERN C[C@@H](C#N)CC1=CCCCCC1=O 238466075 573649395 /nfs/dbraw/zinc/64/93/95/573649395.db2.gz CFWCTAWIDKLZOI-SECBINFHSA-N 0 0 177.247 2.606 10 30 AFEERN Cc1cc(O)c(C(C)(C)C#N)cc1F 238465724 573649415 /nfs/dbraw/zinc/64/94/15/573649415.db2.gz KXWXXPWCTIYQKZ-UHFFFAOYSA-N 0 0 193.221 2.641 10 30 AFEERN C=CC[C@@H]1CCCC[C@]1(C)C=O 238466510 573649452 /nfs/dbraw/zinc/64/94/52/573649452.db2.gz NTPWCVZBVIEPAJ-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C#N)[C@@]1(O)CCCCC1(C)C 86850567 573649539 /nfs/dbraw/zinc/64/95/39/573649539.db2.gz GOJHYRJTPQVTJO-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN CC[C@@H](C#N)[C@]1(O)CCCCC1(C)C 86850560 573649859 /nfs/dbraw/zinc/64/98/59/573649859.db2.gz GOJHYRJTPQVTJO-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1ccc2c(c1)CC[C@H]2[C@@H](C)C=O 257840263 573649860 /nfs/dbraw/zinc/64/98/60/573649860.db2.gz LUVSFKWETQIDOK-JQWIXIFHSA-N 0 0 188.270 2.860 10 30 AFEERN Cc1sc2cc(C#N)n(C)c2c1C 259541112 573649998 /nfs/dbraw/zinc/64/99/98/573649998.db2.gz VFBYOUJSLBBQBY-UHFFFAOYSA-N 0 0 190.271 2.728 10 30 AFEERN O=C[C@H](F)c1ccc(F)c(Cl)c1 257840308 573650031 /nfs/dbraw/zinc/65/00/31/573650031.db2.gz LWZDNGUKQJLIFS-QMMMGPOBSA-N 0 0 190.576 2.689 10 30 AFEERN C=CCC[C@@H]1CCCC(=O)[C@@H]1C 238457731 573650112 /nfs/dbraw/zinc/65/01/12/573650112.db2.gz SIAYSIDGVNAQDS-NXEZZACHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc([C@H](C)CC=O)cc(O)c1C 258080703 573650155 /nfs/dbraw/zinc/65/01/55/573650155.db2.gz NDVKULYGSQTBMI-MRVPVSSYSA-N 0 0 192.258 2.702 10 30 AFEERN C[C@H](S)C1(c2ccc(O)cc2)CC1 258075153 573650164 /nfs/dbraw/zinc/65/01/64/573650164.db2.gz LWIZYEWJVVHKEA-QMMMGPOBSA-N 0 0 194.299 2.742 10 30 AFEERN COc1cccc([C@@H](C)CC=O)c1C 258080662 573650175 /nfs/dbraw/zinc/65/01/75/573650175.db2.gz NBHDGTPPYQRROP-VIFPVBQESA-N 0 0 192.258 2.696 10 30 AFEERN Cc1ccc2c(c1)CC[C@@H]2[C@H](C)C=O 257840265 573650231 /nfs/dbraw/zinc/65/02/31/573650231.db2.gz LUVSFKWETQIDOK-ZYHUDNBSSA-N 0 0 188.270 2.860 10 30 AFEERN COc1cc(C#N)cc2sccc12 238466048 573650275 /nfs/dbraw/zinc/65/02/75/573650275.db2.gz ZZZVPEGRPXGSTI-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN Cc1ccc2c(c1)CC[C@@H]2[C@@H](C)C=O 257840262 573650301 /nfs/dbraw/zinc/65/03/01/573650301.db2.gz LUVSFKWETQIDOK-CMPLNLGQSA-N 0 0 188.270 2.860 10 30 AFEERN C=C1C[C@@]2(C=CC(=O)CC2)C[C@@H]1C 238466401 573650302 /nfs/dbraw/zinc/65/03/02/573650302.db2.gz VCKRNLLSNFXNNQ-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)CC(C)(C)CN[C@H](C)C#N 258837188 573650606 /nfs/dbraw/zinc/65/06/06/573650606.db2.gz QOADQRJJKCTIQO-SNVBAGLBSA-N 0 0 182.311 2.560 10 30 AFEERN C=CC(=O)CCCC(C)C 107805766 573650649 /nfs/dbraw/zinc/65/06/49/573650649.db2.gz YADZUZVDMLAZRI-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CCCC(=O)[C@@]1(C)C[C@H]1C 238466685 573650664 /nfs/dbraw/zinc/65/06/64/573650664.db2.gz SHRDTHBREYKMAK-SCZZXKLOSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1cc(O[C@@H](C)C=O)ccc1Cl 238466696 573650673 /nfs/dbraw/zinc/65/06/73/573650673.db2.gz GAYFRMBVWFPPQC-QMMMGPOBSA-N 0 0 198.649 2.615 10 30 AFEERN C[C@H]1CCC[C@]2(C)C(=O)C=CC=C12 238466710 573650736 /nfs/dbraw/zinc/65/07/36/573650736.db2.gz RXWUGVVXMIDGSZ-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)(C#N)[C@]1(O)CCCCC1(C)C 86850531 573650784 /nfs/dbraw/zinc/65/07/84/573650784.db2.gz ZUCZGEGJSYQCJN-LBPRGKRZSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1cc(NC(C)(C)C#N)ccc1F 258840045 573650849 /nfs/dbraw/zinc/65/08/49/573650849.db2.gz QULNJRBVTFEPHU-UHFFFAOYSA-N 0 0 192.237 2.848 10 30 AFEERN CCc1ccc(OC)c(NCS)c1 258842179 573651297 /nfs/dbraw/zinc/65/12/97/573651297.db2.gz CIBKIURHPWZTDQ-UHFFFAOYSA-N 0 0 197.303 2.557 10 30 AFEERN CC[C@H](C#N)[C@]1(O)CCCCC1(C)C 86850563 573651031 /nfs/dbraw/zinc/65/10/31/573651031.db2.gz GOJHYRJTPQVTJO-ZYHUDNBSSA-N 0 0 195.306 2.867 10 30 AFEERN C/C(=N\O)[C@H](C)Nc1ccc(C)cc1 224486050 573651040 /nfs/dbraw/zinc/65/10/40/573651040.db2.gz VIPSPIMMWDCFGV-CVZWZAMJSA-N 0 0 192.262 2.646 10 30 AFEERN COc1cc(C#N)cc2ccsc12 238465753 573651117 /nfs/dbraw/zinc/65/11/17/573651117.db2.gz YUSCFWRNNIJNFA-UHFFFAOYSA-N 0 0 189.239 2.782 10 30 AFEERN CSc1ccc([C@@](C)(F)C=O)cc1 257840506 573651181 /nfs/dbraw/zinc/65/11/81/573651181.db2.gz JWJJCMJBOHEISJ-JTQLQIEISA-N 0 0 198.262 2.792 10 30 AFEERN COc1cccc([C@H](C)CC=O)c1C 258080661 573651277 /nfs/dbraw/zinc/65/12/77/573651277.db2.gz NBHDGTPPYQRROP-SECBINFHSA-N 0 0 192.258 2.696 10 30 AFEERN CC1(C)CCCC[C@]12CC(=O)C=CO2 86850121 573651400 /nfs/dbraw/zinc/65/14/00/573651400.db2.gz NYLSHACYVQMQPL-LBPRGKRZSA-N 0 0 194.274 2.829 10 30 AFEERN COc1cc(C)c(C)cc1NCS 258844544 573652221 /nfs/dbraw/zinc/65/22/21/573652221.db2.gz CRYAWVICPWSSJG-UHFFFAOYSA-N 0 0 197.303 2.611 10 30 AFEERN Cc1ccc2c(c1)CC[C@H]2[C@H](C)C=O 257840264 573652231 /nfs/dbraw/zinc/65/22/31/573652231.db2.gz LUVSFKWETQIDOK-PWSUYJOCSA-N 0 0 188.270 2.860 10 30 AFEERN C[C@H]1C[C@@]2(C)CCCC2=CC1=O 238466020 573652277 /nfs/dbraw/zinc/65/22/77/573652277.db2.gz DQNOLAATCBXNIU-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1[C@H]([C@@H](C)O)C12CCCCC2 238466396 573652424 /nfs/dbraw/zinc/65/24/24/573652424.db2.gz DFYZLCCDRBVFFY-NXEZZACHSA-N 0 0 166.264 2.504 10 30 AFEERN SCCNc1c[nH]c2ccccc12 258842215 573652470 /nfs/dbraw/zinc/65/24/70/573652470.db2.gz ICPJASQHJKGUAF-UHFFFAOYSA-N 0 0 192.287 2.510 10 30 AFEERN C=CC(=O)[C@H](C)CCCC 107805769 573652561 /nfs/dbraw/zinc/65/25/61/573652561.db2.gz UJRMHNJZOWZFDT-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC(=O)C[C@H](C)CCC 107805774 573652566 /nfs/dbraw/zinc/65/25/66/573652566.db2.gz UPNPDNWZZRIVFO-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN C[C@H]1CCC[C@@]12C=CC(=O)CC2 238466576 573652589 /nfs/dbraw/zinc/65/25/89/573652589.db2.gz HTUYEHHCKVMKJF-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@]1(C=O)CC12CCCCC2 238466094 573652732 /nfs/dbraw/zinc/65/27/32/573652732.db2.gz JXFLVHCFAPQNNZ-SECBINFHSA-N 0 0 152.237 2.546 10 30 AFEERN CC1=CC(=O)C=C(C)[C@@H](C)[C@@H]1C 238458583 573653883 /nfs/dbraw/zinc/65/38/83/573653883.db2.gz GDEUVQIAUQYTLU-NXEZZACHSA-N 0 0 164.248 2.734 10 30 AFEERN C#CC[C@@]1(C)CC=CC[C@H](C)C1=O 238470946 573653758 /nfs/dbraw/zinc/65/37/58/573653758.db2.gz INZLEGPDMQQJCR-JQWIXIFHSA-N 0 0 176.259 2.571 10 30 AFEERN SCCNc1ccc(Cl)cc1 107812292 573653771 /nfs/dbraw/zinc/65/37/71/573653771.db2.gz IFRVFIMZKGBQNS-UHFFFAOYSA-N 0 0 187.695 2.682 10 30 AFEERN CCC(=O)c1c(C#N)cccc1CC 307112700 573653891 /nfs/dbraw/zinc/65/38/91/573653891.db2.gz QGJUFONAKIZZCR-UHFFFAOYSA-N 0 0 187.242 2.713 10 30 AFEERN O=CC(F)(F)c1ccccc1Cl 257841578 573653914 /nfs/dbraw/zinc/65/39/14/573653914.db2.gz MHBKXUOULVXSOC-UHFFFAOYSA-N 0 0 190.576 2.631 10 30 AFEERN CCO[C@H](CC=O)CC1CCCCC1 257841492 573654137 /nfs/dbraw/zinc/65/41/37/573654137.db2.gz KEKYMQJYTKQUOS-GFCCVEGCSA-N 0 0 198.306 2.951 10 30 AFEERN Cc1cccc2c1C[C@H]([C@@H](C)C=O)C2 257842129 573654397 /nfs/dbraw/zinc/65/43/97/573654397.db2.gz MNFQWERJCWHRNL-CMPLNLGQSA-N 0 0 188.270 2.545 10 30 AFEERN C=C1CC[C@]2(C)C[C@H]1[C@@H](C)CC2=O 238458892 573654453 /nfs/dbraw/zinc/65/44/53/573654453.db2.gz FZZUWOCIXKPWIV-HOSYDEDBSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)c1noc(C#N)c1C1CC1 259543344 573654560 /nfs/dbraw/zinc/65/45/60/573654560.db2.gz VKWDBFPWSJZBRE-UHFFFAOYSA-N 0 0 176.219 2.547 10 30 AFEERN Cc1nc(C)c([C@@H](C#N)C2CC2)s1 259544128 573657924 /nfs/dbraw/zinc/65/79/24/573657924.db2.gz CTOCYBNSWTVJMM-VIFPVBQESA-N 0 0 192.287 2.777 10 30 AFEERN C[C@]12CCC[C@@H]3C[C@@]31CC=CC2=O 238472123 573657946 /nfs/dbraw/zinc/65/79/46/573657946.db2.gz KXAQCDYLZCWXPG-JLLWLGSASA-N 0 0 176.259 2.712 10 30 AFEERN C[C@]1(CCC#N)CCCCCC1=O 238472136 573657961 /nfs/dbraw/zinc/65/79/61/573657961.db2.gz IKSFEZKMPNSQMM-LLVKDONJSA-N 0 0 179.263 2.830 10 30 AFEERN C=C[C@@]1(O)CCC[C@H](CC)C1 83813689 573658042 /nfs/dbraw/zinc/65/80/42/573658042.db2.gz NLDFGCGAUXHKAE-VHSXEESVSA-N 0 0 154.253 2.504 10 30 AFEERN CC[C@](C)(C#N)[C@]1(O)CCCC1(C)C 86870088 573664791 /nfs/dbraw/zinc/66/47/91/573664791.db2.gz PYIYRGSZMVBIHF-NEPJUHHUSA-N 0 0 195.306 2.867 10 30 AFEERN CC(C)=C1CC[C@H](C)C[C@H]1C=O 238472740 573659744 /nfs/dbraw/zinc/65/97/44/573659744.db2.gz DOHZENVCBVCVDG-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@H](C)c1ccc(C)cc1O 144531302 573659963 /nfs/dbraw/zinc/65/99/63/573659963.db2.gz ZRAORAOHRLCVMF-VIFPVBQESA-N 0 0 162.232 2.990 10 30 AFEERN CCc1ccc(OC)c([C@@H](C)C=O)c1 257843199 573659995 /nfs/dbraw/zinc/65/99/95/573659995.db2.gz MVICWMLNLUCGFP-VIFPVBQESA-N 0 0 192.258 2.560 10 30 AFEERN CC(F)(F)Cc1ccccc1C#N 258084537 573660054 /nfs/dbraw/zinc/66/00/54/573660054.db2.gz WDBMBIDCMHVNHX-UHFFFAOYSA-N 0 0 181.185 2.756 10 30 AFEERN C[C@]1(CC=O)C[C@H]1c1ccccc1 238471776 573660145 /nfs/dbraw/zinc/66/01/45/573660145.db2.gz PEIIRYNZVATDFI-RYUDHWBXSA-N 0 0 174.243 2.769 10 30 AFEERN Cc1ccc(C(=O)C(C)(C)C#N)cc1 258852055 573660168 /nfs/dbraw/zinc/66/01/68/573660168.db2.gz WAKPRZAZYGEVDH-UHFFFAOYSA-N 0 0 187.242 2.728 10 30 AFEERN Cc1ccc([C@H]([NH3+])CCC#N)cc1C 259544292 573660173 /nfs/dbraw/zinc/66/01/73/573660173.db2.gz UGTGKJUJQOPODV-GFCCVEGCSA-N 0 0 188.274 2.607 10 30 AFEERN CC(C)CN[C@@]1(C#N)CCCC1(C)C 86866017 573660180 /nfs/dbraw/zinc/66/01/80/573660180.db2.gz VQEOMHUBMIHKEP-GFCCVEGCSA-N 0 0 194.322 2.704 10 30 AFEERN C=CCC[C@@H](C)C(=O)/C=C/C 213442691 573660310 /nfs/dbraw/zinc/66/03/10/573660310.db2.gz DCPPYORCTXFEPJ-VPIOIWJLSA-N 0 0 152.237 2.734 10 30 AFEERN C[C@H]1O[C@@H]1c1ccccc1Cl 258850980 573660319 /nfs/dbraw/zinc/66/03/19/573660319.db2.gz QPGZHZDIWSXPOX-MUWHJKNJSA-N 0 0 168.623 2.800 10 30 AFEERN C=C[C@@H](C)c1ccc(C)cc1O 144531527 573660541 /nfs/dbraw/zinc/66/05/41/573660541.db2.gz ZRAORAOHRLCVMF-SECBINFHSA-N 0 0 162.232 2.990 10 30 AFEERN CC1=C2C(=O)CCC[C@H]2C[C@H]1C 238472488 573660657 /nfs/dbraw/zinc/66/06/57/573660657.db2.gz DEQYHXITOUFLBY-APPZFPTMSA-N 0 0 164.248 2.712 10 30 AFEERN SCNc1ccc2c(c1)CCCC2 258853421 573660688 /nfs/dbraw/zinc/66/06/88/573660688.db2.gz DSYGGDISHMHHEZ-UHFFFAOYSA-N 0 0 193.315 2.865 10 30 AFEERN CC[C@H](C)N[C@@]1(C#N)CCCC1(C)C 86866068 573660689 /nfs/dbraw/zinc/66/06/89/573660689.db2.gz VRILWAHNSXCLJV-CMPLNLGQSA-N 0 0 194.322 2.847 10 30 AFEERN C=C(C)CCN(C)Cc1nccs1 393587659 573660818 /nfs/dbraw/zinc/66/08/18/573660818.db2.gz XCSAZCKPWMWMGM-UHFFFAOYSA-N 0 0 196.319 2.541 10 30 AFEERN C[C@@H]1O[C@H]1c1ccccc1Cl 258850978 573660823 /nfs/dbraw/zinc/66/08/23/573660823.db2.gz QPGZHZDIWSXPOX-IMTBSYHQSA-N 0 0 168.623 2.800 10 30 AFEERN CCCc1ccc(CNCS)cc1 258849142 573660848 /nfs/dbraw/zinc/66/08/48/573660848.db2.gz DIFXSTXARMHZKU-UHFFFAOYSA-N 0 0 195.331 2.616 10 30 AFEERN C[C@H]1CC=C[C@@](C)(CC=O)C1 238471488 573660949 /nfs/dbraw/zinc/66/09/49/573660949.db2.gz PFYIQULYHQALTG-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)CN[C@]1(C#N)CCCC1(C)C 86866016 573661084 /nfs/dbraw/zinc/66/10/84/573661084.db2.gz VQEOMHUBMIHKEP-LBPRGKRZSA-N 0 0 194.322 2.704 10 30 AFEERN Cc1ccc([C@@H]([NH3+])CCC#N)cc1C 259544294 573661154 /nfs/dbraw/zinc/66/11/54/573661154.db2.gz UGTGKJUJQOPODV-LBPRGKRZSA-N 0 0 188.274 2.607 10 30 AFEERN N#CCCn1ccc2cccc(F)c21 107838111 573661338 /nfs/dbraw/zinc/66/13/38/573661338.db2.gz YUAPICBHTIZITI-UHFFFAOYSA-N 0 0 188.205 2.694 10 30 AFEERN CO[C@](C)(CC=O)CC1CCCCC1 257842910 573661593 /nfs/dbraw/zinc/66/15/93/573661593.db2.gz KTDAOPWQUWJCJG-GFCCVEGCSA-N 0 0 198.306 2.951 10 30 AFEERN CO[C@@](C)(CC=O)CC1CCCCC1 257842911 573661965 /nfs/dbraw/zinc/66/19/65/573661965.db2.gz KTDAOPWQUWJCJG-LBPRGKRZSA-N 0 0 198.306 2.951 10 30 AFEERN CC[C@@H](C)N[C@@]1(C#N)CCCC1(C)C 86866067 573662079 /nfs/dbraw/zinc/66/20/79/573662079.db2.gz VRILWAHNSXCLJV-ZYHUDNBSSA-N 0 0 194.322 2.847 10 30 AFEERN N#CCC1(c2cccs2)CC1 259544704 573662380 /nfs/dbraw/zinc/66/23/80/573662380.db2.gz BCBZEHAGPVHQPS-UHFFFAOYSA-N 0 0 163.245 2.693 10 30 AFEERN Cc1cc2cc(C)c(CC#N)cc2[nH]1 259544289 573662391 /nfs/dbraw/zinc/66/23/91/573662391.db2.gz CJTJSOCZGJXHRO-UHFFFAOYSA-N 0 0 184.242 2.851 10 30 AFEERN CC1(C)CCC[C@]1(O)C1(C#N)CCC1 86870132 573664893 /nfs/dbraw/zinc/66/48/93/573664893.db2.gz PUWJVOYSRRVDBO-GFCCVEGCSA-N 0 0 193.290 2.621 10 30 AFEERN C=C(C)c1cccc(F)c1F 144499375 573664945 /nfs/dbraw/zinc/66/49/45/573664945.db2.gz OAECWKYXBMRZTA-UHFFFAOYSA-N 0 0 154.159 2.998 10 30 AFEERN Cc1cccc(NCC(C)(C)C#N)c1 258622562 573665893 /nfs/dbraw/zinc/66/58/93/573665893.db2.gz JRCNAEOLKGZPIC-UHFFFAOYSA-N 0 0 188.274 2.957 10 30 AFEERN C=CCCCc1ccncc1 144606418 573665031 /nfs/dbraw/zinc/66/50/31/573665031.db2.gz BQPSIHGSNDPNIR-UHFFFAOYSA-N 0 0 147.221 2.590 10 30 AFEERN CC(=O)/C=C1/[C@@H]2CC[C@@H](C2)[C@H]1C 238475006 573664502 /nfs/dbraw/zinc/66/45/02/573664502.db2.gz KAXVGHVYEVUSRQ-TXXFAWKFSA-N 0 0 164.248 2.568 10 30 AFEERN CCN(CC)[C@]1(C#N)CCCC1(C)C 86867640 573664673 /nfs/dbraw/zinc/66/46/73/573664673.db2.gz RWZUWULZICQOFM-LBPRGKRZSA-N 0 0 194.322 2.801 10 30 AFEERN N#CC1(c2cc3ccoc3cn2)CCC1 214933405 573664971 /nfs/dbraw/zinc/66/49/71/573664971.db2.gz DQTYQPMWSDPVCP-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN C[C@@H]1O[C@H]1c1ccc2c(c1)CCC2 259154472 573666451 /nfs/dbraw/zinc/66/64/51/573666451.db2.gz GBTVZUKHOMSPPS-QPUJVOFHSA-N 0 0 174.243 2.635 10 30 AFEERN C=CCc1cc(C)c(C)c(O)c1 238474537 573665840 /nfs/dbraw/zinc/66/58/40/573665840.db2.gz QNZRXWGLAQJGDA-UHFFFAOYSA-N 0 0 162.232 2.738 10 30 AFEERN CCC[C@@]1(C#N)CCC(C)(C)C1=O 86870397 573666469 /nfs/dbraw/zinc/66/64/69/573666469.db2.gz OQFWPVHFEYWVIY-NSHDSACASA-N 0 0 179.263 2.686 10 30 AFEERN N#CCc1ccc2oc(C3CC3)nc2c1 214933341 573665858 /nfs/dbraw/zinc/66/58/58/573665858.db2.gz MRARPWIEWJGYAW-UHFFFAOYSA-N 0 0 198.225 2.771 10 30 AFEERN N#CC1(c2ccc3conc3c2)CCC1 214934045 573665925 /nfs/dbraw/zinc/66/59/25/573665925.db2.gz XTVUVKDHTSZOFD-UHFFFAOYSA-N 0 0 198.225 2.773 10 30 AFEERN CN[C@H](S)c1ccc(C(C)C)cc1 259154551 573665981 /nfs/dbraw/zinc/66/59/81/573665981.db2.gz CRANCKMWWLNJEI-LLVKDONJSA-N 0 0 195.331 2.958 10 30 AFEERN C=C1CC[C@]2(C)[C@@H](C)CCC(=O)[C@H]12 238476162 573666474 /nfs/dbraw/zinc/66/64/74/573666474.db2.gz ONJIMYDIHREVHM-ZMLRMANQSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H]1O[C@H]1c1cc(Cl)ccc1F 259154357 573666320 /nfs/dbraw/zinc/66/63/20/573666320.db2.gz FZUPAALVBCKDBK-MLUIRONXSA-N 0 0 186.613 2.939 10 30 AFEERN CC(C)C[C@@]1(C#N)CCC(C)(C)C1=O 86870441 573666344 /nfs/dbraw/zinc/66/63/44/573666344.db2.gz JNNKXCHDFIVILS-GFCCVEGCSA-N 0 0 193.290 2.932 10 30 AFEERN Cc1ccc(NCC(C)(C)C#N)o1 258855473 573666410 /nfs/dbraw/zinc/66/64/10/573666410.db2.gz DUZBBWIDDDXODB-UHFFFAOYSA-N 0 0 178.235 2.550 10 30 AFEERN CC(=O)/C=C1\[C@@H](C)[C@H]2CC[C@@H]1C2 238474905 573666502 /nfs/dbraw/zinc/66/65/02/573666502.db2.gz KAXVGHVYEVUSRQ-KPNIIWTBSA-N 0 0 164.248 2.568 10 30 AFEERN CN[C@@H](S)c1ccc(C(C)C)cc1 259154554 573666716 /nfs/dbraw/zinc/66/67/16/573666716.db2.gz CRANCKMWWLNJEI-NSHDSACASA-N 0 0 195.331 2.958 10 30 AFEERN Cc1ccccc1NCC1(C#N)CC1 258626340 573666766 /nfs/dbraw/zinc/66/67/66/573666766.db2.gz KACYUDXAQCAWDQ-UHFFFAOYSA-N 0 0 186.258 2.711 10 30 AFEERN N#Cc1ccsc1-c1cscn1 259546461 573667017 /nfs/dbraw/zinc/66/70/17/573667017.db2.gz DAQCTNDWOOZMRI-UHFFFAOYSA-N 0 0 192.268 2.743 10 30 AFEERN CCC[C@H](C#N)[C@@]1(O)CCCC1(C)C 86870118 573666829 /nfs/dbraw/zinc/66/68/29/573666829.db2.gz SWFVVBFBCRYWEC-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN C=C[C@]12CCC[C@]1(C)C[C@@H](C)C(=O)O2 238476398 573666867 /nfs/dbraw/zinc/66/68/67/573666867.db2.gz OTCXMOREVCAZSD-JLLWLGSASA-N 0 0 194.274 2.684 10 30 AFEERN Cc1cc(C=O)c(CCC#N)cc1C 238474809 573666874 /nfs/dbraw/zinc/66/68/74/573666874.db2.gz QHQLCPWYDBEONZ-UHFFFAOYSA-N 0 0 187.242 2.572 10 30 AFEERN C=C1CC[C@@H]2[C@@H](C)CCC(=O)[C@@H]2C1 238476221 573666886 /nfs/dbraw/zinc/66/68/86/573666886.db2.gz GFYYMYWILBGLAO-HBNTYKKESA-N 0 0 178.275 2.958 10 30 AFEERN CC1=C2C(=O)CCC[C@@H]2C[C@@H]1C 238475376 573666912 /nfs/dbraw/zinc/66/69/12/573666912.db2.gz DEQYHXITOUFLBY-IONNQARKSA-N 0 0 164.248 2.712 10 30 AFEERN C#C[C@](C)(C=C)[C@@H](O)c1ccccc1 238475568 573669838 /nfs/dbraw/zinc/66/98/38/573669838.db2.gz WKZFYRAEZRJMOA-QWHCGFSZSA-N 0 0 186.254 2.546 10 30 AFEERN C#C[C@](C)(C=C)[C@H]1CCCCC1=O 238475659 573671681 /nfs/dbraw/zinc/67/16/81/573671681.db2.gz DVBPARHDIAWJNG-CMPLNLGQSA-N 0 0 176.259 2.571 10 30 AFEERN Cc1coc2cc(CCC=O)ccc12 258078213 573671791 /nfs/dbraw/zinc/67/17/91/573671791.db2.gz MYEZJCXOPHKTQY-UHFFFAOYSA-N 0 0 188.226 2.873 10 30 AFEERN CC(=O)/C=C(\C)Cc1cccc(F)c1 308412119 573672424 /nfs/dbraw/zinc/67/24/24/573672424.db2.gz DLTHPCOYXAKNLM-RMKNXTFCSA-N 0 0 192.233 2.904 10 30 AFEERN N#CC[C@H]1CCCCc2cnsc21 259546375 573669468 /nfs/dbraw/zinc/66/94/68/573669468.db2.gz CZINUMOGSVXPBK-MRVPVSSYSA-N 0 0 192.287 2.867 10 30 AFEERN COc1ccc([C@H]2O[C@H]2C)cc1Cl 258856671 573669549 /nfs/dbraw/zinc/66/95/49/573669549.db2.gz QYEGFTFVOYBBNH-WKEGUHRASA-N 0 0 198.649 2.808 10 30 AFEERN C/C=C\COc1cc(F)cc(C#N)c1 308411373 573669629 /nfs/dbraw/zinc/66/96/29/573669629.db2.gz CWFROVVDAMYSDV-IHWYPQMZSA-N 0 0 191.205 2.652 10 30 AFEERN Cc1ccccc1[C@@H]1[C@H](C)[C@@H]1C#N 259617333 573673460 /nfs/dbraw/zinc/67/34/60/573673460.db2.gz NHLQVPTWVZADQV-USWWRNFRSA-N 0 0 171.243 2.868 10 30 AFEERN C[C@H]1O[C@@H]1c1ccc2c(c1)CCC2 259154465 573669725 /nfs/dbraw/zinc/66/97/25/573669725.db2.gz GBTVZUKHOMSPPS-PELKAZGASA-N 0 0 174.243 2.635 10 30 AFEERN CC(C)=CC[C@@H](C)[C@H](C)C=O 238467294 573669794 /nfs/dbraw/zinc/66/97/94/573669794.db2.gz YIOQTRCKKMMWKG-NXEZZACHSA-N 0 0 154.253 2.814 10 30 AFEERN Cc1cc(CCCS)cc(C)c1O 238476326 573669891 /nfs/dbraw/zinc/66/98/91/573669891.db2.gz NONGMBFIFIRQAI-UHFFFAOYSA-N 0 0 196.315 2.871 10 30 AFEERN C=C(C)[C@H]1CC[C@H](C=O)[C@@H](C)C1 144664532 573673653 /nfs/dbraw/zinc/67/36/53/573673653.db2.gz UCGRWHUQOWGQBU-GARJFASQSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)C[C@H](CC#N)C1CCOCC1 259550598 573669984 /nfs/dbraw/zinc/66/99/84/573669984.db2.gz DHCWHERFOAGRFK-LBPRGKRZSA-N 0 0 195.306 2.989 10 30 AFEERN COc1cc(C#N)c(SC)cc1C 258075758 573670042 /nfs/dbraw/zinc/67/00/42/573670042.db2.gz MSXXBKLEJSWUBN-UHFFFAOYSA-N 0 0 193.271 2.597 10 30 AFEERN Cc1c[nH]c2ccc(CCC=O)cc12 258075759 573670062 /nfs/dbraw/zinc/67/00/62/573670062.db2.gz MSYNQKRSYJSHCK-UHFFFAOYSA-N 0 0 187.242 2.608 10 30 AFEERN CCCc1ccc(NCCS)cc1 258857466 573670132 /nfs/dbraw/zinc/67/01/32/573670132.db2.gz JOPJKOPLAVMZLS-UHFFFAOYSA-N 0 0 195.331 2.981 10 30 AFEERN C#C[C@](C)(C=C)[C@H](O)c1ccccc1 238475631 573670148 /nfs/dbraw/zinc/67/01/48/573670148.db2.gz WKZFYRAEZRJMOA-CHWSQXEVSA-N 0 0 186.254 2.546 10 30 AFEERN Cc1ccccc1[C@@H]1[C@H](C)[C@H]1C#N 259617330 573670276 /nfs/dbraw/zinc/67/02/76/573670276.db2.gz NHLQVPTWVZADQV-JLLWLGSASA-N 0 0 171.243 2.868 10 30 AFEERN Cc1cnoc1-c1ccsc1C#N 259550622 573670419 /nfs/dbraw/zinc/67/04/19/573670419.db2.gz DIJNHZIBKDVWPR-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN CC[C@@]1(C#N)CCCC(C)(C)C1=O 86872500 573670480 /nfs/dbraw/zinc/67/04/80/573670480.db2.gz DTDCNMFZBRJHRF-NSHDSACASA-N 0 0 179.263 2.686 10 30 AFEERN CC[C@@H](C#N)N[C@@H]1CCCCC1(C)C 86875075 573670551 /nfs/dbraw/zinc/67/05/51/573670551.db2.gz IVDFYOROAGLWDM-WDEREUQCSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@]1(C#N)CCCC(C)(C)C1=O 86872499 573670668 /nfs/dbraw/zinc/67/06/68/573670668.db2.gz DTDCNMFZBRJHRF-LLVKDONJSA-N 0 0 179.263 2.686 10 30 AFEERN N#CCNc1ccc2sccc2c1 83833268 573670725 /nfs/dbraw/zinc/67/07/25/573670725.db2.gz BORHGDBBFAIOQF-UHFFFAOYSA-N 0 0 188.255 2.837 10 30 AFEERN C[C@]1(C=O)C[C@]1(C)c1ccccc1 238467326 573670811 /nfs/dbraw/zinc/67/08/11/573670811.db2.gz AJXVNSGKUPVHLG-VXGBXAGGSA-N 0 0 174.243 2.553 10 30 AFEERN Cc1c(O)ccc([C@H](C)CC=O)c1C 258078203 573673699 /nfs/dbraw/zinc/67/36/99/573673699.db2.gz MXSKWQNEJVAUHW-MRVPVSSYSA-N 0 0 192.258 2.702 10 30 AFEERN CC(C)C[C@H](C#N)C(=O)c1ccco1 43375060 573671073 /nfs/dbraw/zinc/67/10/73/573671073.db2.gz NGGNSGRVOKAPEU-SECBINFHSA-N 0 0 191.230 2.648 10 30 AFEERN C[C@H](C#N)Nc1coc2ccccc12 258870650 573671006 /nfs/dbraw/zinc/67/10/06/573671006.db2.gz UOUWPUQNZKCTAP-MRVPVSSYSA-N 0 0 186.214 2.757 10 30 AFEERN CNN=C/C=C(\C)CCC=C(C)C 308412626 573671128 /nfs/dbraw/zinc/67/11/28/573671128.db2.gz MCOHTMOZCCDKHW-JDYWATNUSA-N 0 0 180.295 2.884 10 30 AFEERN C=C[C@@H]([NH2+]C)c1ccccc1CC 130725770 573671169 /nfs/dbraw/zinc/67/11/69/573671169.db2.gz LLMHTDNPYSIHFT-GFCCVEGCSA-N 0 0 175.275 2.696 10 30 AFEERN CC[C@@H](C#N)N[C@H]1CCCCC1(C)C 86875082 573671210 /nfs/dbraw/zinc/67/12/10/573671210.db2.gz IVDFYOROAGLWDM-QWRGUYRKSA-N 0 0 194.322 2.847 10 30 AFEERN Cc1ccc(N)c(SCCC#N)c1 83825716 573671357 /nfs/dbraw/zinc/67/13/57/573671357.db2.gz IGBASZFLMNCXSS-UHFFFAOYSA-N 0 0 192.287 2.583 10 30 AFEERN Cc1ccccc1[C@H]1[C@@H](C#N)[C@@H]1C 259617326 573671486 /nfs/dbraw/zinc/67/14/86/573671486.db2.gz NHLQVPTWVZADQV-DLOVCJGASA-N 0 0 171.243 2.868 10 30 AFEERN CC(C)C[C@@H](C#N)C(=O)c1ccco1 43375058 573671499 /nfs/dbraw/zinc/67/14/99/573671499.db2.gz NGGNSGRVOKAPEU-VIFPVBQESA-N 0 0 191.230 2.648 10 30 AFEERN C=CCC[C@H]1C(=O)CC[C@@H]1C 238475988 573671586 /nfs/dbraw/zinc/67/15/86/573671586.db2.gz SZZVECBIYALJLF-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H]1CCCC(=O)[C@@H]1C 150197664 573671628 /nfs/dbraw/zinc/67/16/28/573671628.db2.gz SKYMZUNOSFRPGL-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN CNN=C/C=C(/C)CCC=C(C)C 308412629 573671634 /nfs/dbraw/zinc/67/16/34/573671634.db2.gz MCOHTMOZCCDKHW-KHPLKFLISA-N 0 0 180.295 2.884 10 30 AFEERN C=C(C)CC[C@H]1C(=O)CC[C@@H]1C 238475972 573671688 /nfs/dbraw/zinc/67/16/88/573671688.db2.gz IIWBDYVMONZJFP-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H](CC=O)c1cccc2c1CCC2 258078253 573671705 /nfs/dbraw/zinc/67/17/05/573671705.db2.gz MZGRHJGSPHRCKN-JTQLQIEISA-N 0 0 188.270 2.868 10 30 AFEERN CC[C@H](C#N)N[C@H]1CCCCC1(C)C 86875084 573671758 /nfs/dbraw/zinc/67/17/58/573671758.db2.gz IVDFYOROAGLWDM-MNOVXSKESA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)C(=O)[C@H](C#N)CC(C)C 43374863 573671862 /nfs/dbraw/zinc/67/18/62/573671862.db2.gz BISQJPVDIYEEJS-UWVGGRQHSA-N 0 0 181.279 2.787 10 30 AFEERN Cc1ccsc1NCC1(C#N)CC1 258869355 573671905 /nfs/dbraw/zinc/67/19/05/573671905.db2.gz HTMNHHMRDJAPDG-UHFFFAOYSA-N 0 0 192.287 2.772 10 30 AFEERN CCCCC(=O)[C@@H](C#N)CC(C)C 43374879 573673875 /nfs/dbraw/zinc/67/38/75/573673875.db2.gz HDIACBKGPQNDTB-SNVBAGLBSA-N 0 0 181.279 2.932 10 30 AFEERN CC(C)=CC[C@@H](C)[C@@H](C)C=O 238467206 573672140 /nfs/dbraw/zinc/67/21/40/573672140.db2.gz YIOQTRCKKMMWKG-ZJUUUORDSA-N 0 0 154.253 2.814 10 30 AFEERN C[C@@H]1C[C@@]2(C)CCCC2=CC1=O 238476312 573672330 /nfs/dbraw/zinc/67/23/30/573672330.db2.gz DQNOLAATCBXNIU-LDYMZIIASA-N 0 0 164.248 2.712 10 30 AFEERN C[C@]1(C=O)C[C@@]1(C)c1ccccc1 238467127 573672342 /nfs/dbraw/zinc/67/23/42/573672342.db2.gz AJXVNSGKUPVHLG-NEPJUHHUSA-N 0 0 174.243 2.553 10 30 AFEERN CC(C)C[C@@H](C#N)C(=O)C1CCC1 43374833 573672450 /nfs/dbraw/zinc/67/24/50/573672450.db2.gz QDOLSSOOZUKDKO-JTQLQIEISA-N 0 0 179.263 2.541 10 30 AFEERN C=CCc1ccccc1NC(=O)CC 150160660 573672483 /nfs/dbraw/zinc/67/24/83/573672483.db2.gz JGGOBOIDXRXUTC-UHFFFAOYSA-N 0 0 189.258 2.764 10 30 AFEERN C=C(C)[C@@H]1CC[C@H](C=O)[C@@H](C)C1 144664130 573672679 /nfs/dbraw/zinc/67/26/79/573672679.db2.gz UCGRWHUQOWGQBU-HBNTYKKESA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@H]1CC2=C(C(=O)CC2)[C@@H](C)C1 238467097 573672758 /nfs/dbraw/zinc/67/27/58/573672758.db2.gz JRJRAVLZGARQRE-YUMQZZPRSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@](C=O)(c1ccccc1)C1CCC1 238475919 573672816 /nfs/dbraw/zinc/67/28/16/573672816.db2.gz OPSJPSFSEZWEPG-CYBMUJFWSA-N 0 0 188.270 2.943 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CCCCC1(C)C 86875079 573672847 /nfs/dbraw/zinc/67/28/47/573672847.db2.gz IVDFYOROAGLWDM-GHMZBOCLSA-N 0 0 194.322 2.847 10 30 AFEERN C#C[C@](C)(C=C)[C@@H]1CCCCC1=O 238475611 573672879 /nfs/dbraw/zinc/67/28/79/573672879.db2.gz DVBPARHDIAWJNG-ZYHUDNBSSA-N 0 0 176.259 2.571 10 30 AFEERN C=C[C@H]([NH2+]C)c1ccccc1CC 130725984 573673088 /nfs/dbraw/zinc/67/30/88/573673088.db2.gz LLMHTDNPYSIHFT-LBPRGKRZSA-N 0 0 175.275 2.696 10 30 AFEERN C[C@H]1C=CC2=CC(=O)CC[C@]2(C)C1 238476298 573673177 /nfs/dbraw/zinc/67/31/77/573673177.db2.gz FWTDYNBWCCPHTD-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)C[C@@H](CC#N)C1CCOCC1 259550597 573673241 /nfs/dbraw/zinc/67/32/41/573673241.db2.gz DHCWHERFOAGRFK-GFCCVEGCSA-N 0 0 195.306 2.989 10 30 AFEERN C=CC(C)(C)[C@H]1C(=O)CC[C@@H]1C 238475859 573673291 /nfs/dbraw/zinc/67/32/91/573673291.db2.gz PEWCXWIDDNRZQT-WCBMZHEXSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1cc(Cl)c(C#N)c(C)c1O 258078452 573673304 /nfs/dbraw/zinc/67/33/04/573673304.db2.gz VIQXIQGNYIXXNV-UHFFFAOYSA-N 0 0 181.622 2.534 10 30 AFEERN Cc1cc(C)c(CNCS)c(C)c1 258871903 573673309 /nfs/dbraw/zinc/67/33/09/573673309.db2.gz GVODQMDLEIXNDL-UHFFFAOYSA-N 0 0 195.331 2.589 10 30 AFEERN C=C[C@@](C)(C=O)c1ccc(Cl)cc1 238475789 573673328 /nfs/dbraw/zinc/67/33/28/573673328.db2.gz QIWZHGKQDGABLW-NSHDSACASA-N 0 0 194.661 2.983 10 30 AFEERN C/C(C=NO)=C\c1ccccc1 263631031 573673580 /nfs/dbraw/zinc/67/35/80/573673580.db2.gz WHHLYQWWJBGGCZ-HZBRMTLQSA-N 0 0 161.204 2.550 10 30 AFEERN C[C@H](CC=O)c1cccc2c1CCC2 258078255 573673800 /nfs/dbraw/zinc/67/38/00/573673800.db2.gz MZGRHJGSPHRCKN-SNVBAGLBSA-N 0 0 188.270 2.868 10 30 AFEERN CCCC(=O)[C@H](C#N)CC(C)C 43374881 573673807 /nfs/dbraw/zinc/67/38/07/573673807.db2.gz SEQXRQDBFBYFQO-VIFPVBQESA-N 0 0 167.252 2.541 10 30 AFEERN CC(C)CC(=O)[C@H](C#N)CC(C)C 43374826 573673994 /nfs/dbraw/zinc/67/39/94/573673994.db2.gz VOXVSKVNEMPBSA-JTQLQIEISA-N 0 0 181.279 2.787 10 30 AFEERN CC(C)C[C@H](C#N)C(=O)C1CCCC1 43374839 573674068 /nfs/dbraw/zinc/67/40/68/573674068.db2.gz XBNKMVRIVFKXKB-LLVKDONJSA-N 0 0 193.290 2.932 10 30 AFEERN C=C(C)[C@H]1CC[C@H](C=O)[C@H](C)C1 144664329 573674335 /nfs/dbraw/zinc/67/43/35/573674335.db2.gz UCGRWHUQOWGQBU-OUAUKWLOSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@H](C#C[C@H]1C=CCCC1)CC=O 238468578 573674384 /nfs/dbraw/zinc/67/43/84/573674384.db2.gz INHLBRDHNXNRKY-RYUDHWBXSA-N 0 0 176.259 2.571 10 30 AFEERN C/C=C/[C@@H]1CCCC[C@H]1C=O 144635022 573674433 /nfs/dbraw/zinc/67/44/33/573674433.db2.gz JVOLAJKFKZOWPI-VYXGOUPGSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@@]1(C)CCCC(C=O)=C1O 144667228 573674441 /nfs/dbraw/zinc/67/44/41/573674441.db2.gz KTWYMYLOKMKUCD-JARNTUPDSA-N 0 0 168.236 2.598 10 30 AFEERN CC1=CC[C@H](C)C2=CC(=O)C[C@H]2C1 238468456 573674678 /nfs/dbraw/zinc/67/46/78/573674678.db2.gz LDTLHMYOMNRSMM-VHSXEESVSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)C[C@H](C#N)C(=O)C(C)(C)C 43375032 573674724 /nfs/dbraw/zinc/67/47/24/573674724.db2.gz BLCLDEGXDWDFED-SECBINFHSA-N 0 0 181.279 2.787 10 30 AFEERN C[C@@H](C#CC1CCCCC1)CC=O 238468550 573674734 /nfs/dbraw/zinc/67/47/34/573674734.db2.gz ZHNDEBOHZZJWTM-NSHDSACASA-N 0 0 178.275 2.795 10 30 AFEERN C=C[C@H](CC)OC(=O)C[C@@H]1C[C@@H]1C 308414839 573674772 /nfs/dbraw/zinc/67/47/72/573674772.db2.gz MYIQEFFNRXKQIJ-LPEHRKFASA-N 0 0 182.263 2.540 10 30 AFEERN CC(C)C[C@H](C#N)C(=O)c1ccoc1 43375119 573674827 /nfs/dbraw/zinc/67/48/27/573674827.db2.gz MKRMMHCHUDJZIK-SNVBAGLBSA-N 0 0 191.230 2.648 10 30 AFEERN C=C(Cl)C[C@@]1(C)CCCC1=O 238468608 573674900 /nfs/dbraw/zinc/67/49/00/573674900.db2.gz JFSJHELTDNDOGC-SECBINFHSA-N 0 0 172.655 2.888 10 30 AFEERN CCCC(=O)[C@@H](C#N)CC(C)C 43374883 573675057 /nfs/dbraw/zinc/67/50/57/573675057.db2.gz SEQXRQDBFBYFQO-SECBINFHSA-N 0 0 167.252 2.541 10 30 AFEERN CC[C@@H](C)C(=O)[C@H](C#N)CC(C)C 43374861 573675132 /nfs/dbraw/zinc/67/51/32/573675132.db2.gz BISQJPVDIYEEJS-ZJUUUORDSA-N 0 0 181.279 2.787 10 30 AFEERN CC(C)C[C@@H](C#N)C(=O)C(C)(C)C 43375030 573675218 /nfs/dbraw/zinc/67/52/18/573675218.db2.gz BLCLDEGXDWDFED-VIFPVBQESA-N 0 0 181.279 2.787 10 30 AFEERN Cc1ncc(CC#N)c(C(F)F)c1C 238467764 573676262 /nfs/dbraw/zinc/67/62/62/573676262.db2.gz FGILWDOIEMNCBR-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN Cc1c(O)ccc([C@@H](C)CC=O)c1C 258078205 573676268 /nfs/dbraw/zinc/67/62/68/573676268.db2.gz MXSKWQNEJVAUHW-QMMMGPOBSA-N 0 0 192.258 2.702 10 30 AFEERN CCc1nc(C#N)c(C2CCCC2)o1 259548539 573676372 /nfs/dbraw/zinc/67/63/72/573676372.db2.gz DDLKPZMRVHQGCI-UHFFFAOYSA-N 0 0 190.246 2.766 10 30 AFEERN Cc1cc2onc(CCC#N)c2s1 259548662 573676731 /nfs/dbraw/zinc/67/67/31/573676731.db2.gz DEWVVSZCPGNFNI-UHFFFAOYSA-N 0 0 192.243 2.654 10 30 AFEERN COc1cccc(C)c1[C@@H](C)CC=O 258090918 573676989 /nfs/dbraw/zinc/67/69/89/573676989.db2.gz NZYDXYOZUPQOQF-JTQLQIEISA-N 0 0 192.258 2.696 10 30 AFEERN CCc1occ(-c2ccncc2)c1C#N 259548549 573677082 /nfs/dbraw/zinc/67/70/82/573677082.db2.gz DDNDHISHOZZXQA-UHFFFAOYSA-N 0 0 198.225 2.776 10 30 AFEERN CC(C)Cc1nc([C@@H](C)C#N)cs1 259548463 573677108 /nfs/dbraw/zinc/67/71/08/573677108.db2.gz DCVTUPGEHSATJG-QMMMGPOBSA-N 0 0 194.303 2.969 10 30 AFEERN CC1=CC[C@H](C)C2=CC(=O)C[C@@H]2C1 238468494 573677284 /nfs/dbraw/zinc/67/72/84/573677284.db2.gz LDTLHMYOMNRSMM-UWVGGRQHSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H]1C(=O)C2=C(CCC2)C1(C)C 238467970 573677302 /nfs/dbraw/zinc/67/73/02/573677302.db2.gz VBAQNKDWPMBBNE-SSDOTTSWSA-N 0 0 164.248 2.712 10 30 AFEERN N#Cc1cc(Cl)c2c(c1)CCC2 258090365 573677353 /nfs/dbraw/zinc/67/73/53/573677353.db2.gz WSTHUBYPJJMKFB-UHFFFAOYSA-N 0 0 177.634 2.700 10 30 AFEERN C[C@H]1[C@H](CC(C)(C)C)[C@@H]1C#N 259549978 573677398 /nfs/dbraw/zinc/67/73/98/573677398.db2.gz HEDZZVVKFQSQCL-XHNCKOQMSA-N 0 0 151.253 2.828 10 30 AFEERN Cc1ccccc1[C@@H]1[C@@H](C)[C@H]1C#N 259617336 573677438 /nfs/dbraw/zinc/67/74/38/573677438.db2.gz NHLQVPTWVZADQV-WCQGTBRESA-N 0 0 171.243 2.868 10 30 AFEERN C[C@@H]1[C@H](C#N)[C@@H]1CC(C)(C)C 259549980 573677810 /nfs/dbraw/zinc/67/78/10/573677810.db2.gz HEDZZVVKFQSQCL-YIZRAAEISA-N 0 0 151.253 2.828 10 30 AFEERN C=C(C)C[C@H]([NH2+]C)c1coc(C)c1 130806194 573677823 /nfs/dbraw/zinc/67/78/23/573677823.db2.gz TWPAHYLFQQXJII-NSHDSACASA-N 0 0 179.263 2.815 10 30 AFEERN CSc1c(F)cccc1CC#N 258090421 573677899 /nfs/dbraw/zinc/67/78/99/573677899.db2.gz WWBJTXDYNBKUPX-UHFFFAOYSA-N 0 0 181.235 2.614 10 30 AFEERN CC(C)c1nc2sc(C#N)cc2[nH]1 259548643 573678068 /nfs/dbraw/zinc/67/80/68/573678068.db2.gz DELWIPIALCEEGK-UHFFFAOYSA-N 0 0 191.259 2.619 10 30 AFEERN C=CC[C@@H](C)C(=O)C(C)(C)C 238467406 573678118 /nfs/dbraw/zinc/67/81/18/573678118.db2.gz UJPIBIPROMCBSB-MRVPVSSYSA-N 0 0 154.253 2.814 10 30 AFEERN C=C[C@H](CC)OC(=O)C[C@@H]1C[C@H]1C 308414837 573678156 /nfs/dbraw/zinc/67/81/56/573678156.db2.gz MYIQEFFNRXKQIJ-KXUCPTDWSA-N 0 0 182.263 2.540 10 30 AFEERN C[C@@H]1CC2=CC(=O)CC[C@H]2[C@@H](C)C1 238469519 573678489 /nfs/dbraw/zinc/67/84/89/573678489.db2.gz STTPJRRTLFULCO-AUTRQRHGSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@]1(C)C(=O)C=CC[C@@H]1C 238469279 573680137 /nfs/dbraw/zinc/68/01/37/573680137.db2.gz NDSVIFOKNHBAQI-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN Cc1cc(CC#N)c(C)c(C(F)F)n1 238469343 573680061 /nfs/dbraw/zinc/68/00/61/573680061.db2.gz KTEMTDBDNFJXKN-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H](C)C1 238469808 573680262 /nfs/dbraw/zinc/68/02/62/573680262.db2.gz STTPJRRTLFULCO-HOTUBEGUSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cc(CC#N)c(C(F)F)c(C)n1 238468927 573680464 /nfs/dbraw/zinc/68/04/64/573680464.db2.gz MWGTUQQENUIYEW-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CC(C)Cc1nc([C@H](C)C#N)cs1 259548458 573680688 /nfs/dbraw/zinc/68/06/88/573680688.db2.gz DCVTUPGEHSATJG-MRVPVSSYSA-N 0 0 194.303 2.969 10 30 AFEERN Cc1ccc(C)c2c1cc(CC#N)n2C 214946059 573680707 /nfs/dbraw/zinc/68/07/07/573680707.db2.gz OMGZRWHMONEMEP-UHFFFAOYSA-N 0 0 198.269 2.861 10 30 AFEERN C[C@@H]1C=C2C=CC(=O)C[C@@H]2[C@@H](C)C1 238469790 573680810 /nfs/dbraw/zinc/68/08/10/573680810.db2.gz BXVHKVHICSAMEG-HOTUBEGUSA-N 0 0 176.259 2.734 10 30 AFEERN C[C@H](CC=O)C1=CCCCC1 238468797 573680913 /nfs/dbraw/zinc/68/09/13/573680913.db2.gz INTCUZNEVBWCDB-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cc(CC#N)c(C(F)F)nc1C 238469149 573680932 /nfs/dbraw/zinc/68/09/32/573680932.db2.gz QWUFJSJJZYFXCE-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CN(CC1CCCCC1)C(C)(C)C#N 258874857 573681021 /nfs/dbraw/zinc/68/10/21/573681021.db2.gz UXNFISKFUQWPGI-UHFFFAOYSA-N 0 0 194.322 2.801 10 30 AFEERN C[C@H](CC=O)Sc1ccsc1 238469500 573681195 /nfs/dbraw/zinc/68/11/95/573681195.db2.gz WWKKSSWSRVZWJE-SSDOTTSWSA-N 0 0 186.301 2.818 10 30 AFEERN C[C@@H]1C=C(c2ccccc2)C[C@@H]1C=O 238469974 573681267 /nfs/dbraw/zinc/68/12/67/573681267.db2.gz HCCKRIQMTFBEBT-ZWNOBZJWSA-N 0 0 186.254 2.925 10 30 AFEERN C[C@]1(c2ccccc2)C[C@@]1(Cl)C=O 238468721 573681301 /nfs/dbraw/zinc/68/13/01/573681301.db2.gz RZEJEMIVIJSIHF-GHMZBOCLSA-N 0 0 194.661 2.525 10 30 AFEERN C[C@H]1CC=C2C(=O)CC(C)(C)C[C@@H]21 238469118 573681333 /nfs/dbraw/zinc/68/13/33/573681333.db2.gz YFYQDWXPLNNZQS-WCBMZHEXSA-N 0 0 178.275 2.958 10 30 AFEERN N#Cc1ccoc1-c1ccc(F)cc1 259555813 573684141 /nfs/dbraw/zinc/68/41/41/573684141.db2.gz DLKAWDNLFMPEOM-UHFFFAOYSA-N 0 0 187.173 2.957 10 30 AFEERN C=C1C=C[C@@H]([C@H](C)CC=O)CC1 238470077 573685322 /nfs/dbraw/zinc/68/53/22/573685322.db2.gz LZIRUJQTWLAHHS-GHMZBOCLSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@@H](C=O)Cc1ccccc1Cl 78946263 573682999 /nfs/dbraw/zinc/68/29/99/573682999.db2.gz UOYADOCZGODLBC-MRVPVSSYSA-N 0 0 182.650 2.718 10 30 AFEERN CC[C@@H](CC#N)c1ccc(O)c(F)c1 259557250 573683044 /nfs/dbraw/zinc/68/30/44/573683044.db2.gz ABFFGWMJPNNWKR-QMMMGPOBSA-N 0 0 193.221 2.939 10 30 AFEERN Cc1cc2c(CC#N)cn(C)c2cc1C 214945992 573683055 /nfs/dbraw/zinc/68/30/55/573683055.db2.gz XFUKWRXZDARNLD-UHFFFAOYSA-N 0 0 198.269 2.861 10 30 AFEERN C=CC[C@@H](CO)CCC(=C)Cl 238697548 573683066 /nfs/dbraw/zinc/68/30/66/573683066.db2.gz VLJXYLZTLJUAAA-SECBINFHSA-N 0 0 174.671 2.704 10 30 AFEERN Cc1c(C)n(C)c2cc(CC#N)ccc12 214946262 573683198 /nfs/dbraw/zinc/68/31/98/573683198.db2.gz ZYNURLCXAOHVQE-UHFFFAOYSA-N 0 0 198.269 2.861 10 30 AFEERN N#Cc1cc2cc(F)c(Cl)cc2[nH]1 259556567 573683260 /nfs/dbraw/zinc/68/32/60/573683260.db2.gz DTPLVHPSJPATJN-UHFFFAOYSA-N 0 0 194.596 2.832 10 30 AFEERN C=CC[C@@]1(C)CCCC[C@@H]1O 238470706 573683520 /nfs/dbraw/zinc/68/35/20/573683520.db2.gz NUXQQWJFQRZUHJ-UWVGGRQHSA-N 0 0 154.253 2.504 10 30 AFEERN CC(C)c1cc([C@H](C)C#N)sn1 259555826 573683521 /nfs/dbraw/zinc/68/35/21/573683521.db2.gz DLVRWVKHROBOCK-SSDOTTSWSA-N 0 0 180.276 2.894 10 30 AFEERN C=C(C[C@H](C)CC)C(=O)CC 214944503 573683557 /nfs/dbraw/zinc/68/35/57/573683557.db2.gz FGKPJHIQXIJZOS-MRVPVSSYSA-N 0 0 154.253 2.958 10 30 AFEERN C#CC[C@]1(C)CC=CC[C@H](C)C1=O 238470247 573683650 /nfs/dbraw/zinc/68/36/50/573683650.db2.gz INZLEGPDMQQJCR-CMPLNLGQSA-N 0 0 176.259 2.571 10 30 AFEERN C=C(C)CNN=CCC(CC)CC 308420377 573683752 /nfs/dbraw/zinc/68/37/52/573683752.db2.gz OQNOURRKBALPOF-UHFFFAOYSA-N 0 0 182.311 2.964 10 30 AFEERN C[C@H]1C(=O)C2=C(CCC2)C1(C)C 238470776 573684007 /nfs/dbraw/zinc/68/40/07/573684007.db2.gz VBAQNKDWPMBBNE-ZETCQYMHSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@H](CC=O)[C@@H]1C=CCCC1 238470136 573684222 /nfs/dbraw/zinc/68/42/22/573684222.db2.gz ZFAQZUCDRJRTHU-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc([C@H](C)CC=O)cc1C 238470453 573684228 /nfs/dbraw/zinc/68/42/28/573684228.db2.gz FIJSOTYACZJUBQ-SNVBAGLBSA-N 0 0 176.259 2.996 10 30 AFEERN C=CC[C@@]1(C)CC=C(Cl)C1=O 238470362 573684322 /nfs/dbraw/zinc/68/43/22/573684322.db2.gz YUPWJXGQXBUZRW-VIFPVBQESA-N 0 0 170.639 2.664 10 30 AFEERN CCCCCCC[C@@H](O)c1ncc[nH]1 126782309 573684404 /nfs/dbraw/zinc/68/44/04/573684404.db2.gz AVFVNQBIQZZYGE-SNVBAGLBSA-N 0 0 196.294 2.804 10 30 AFEERN C=CC[C@@]1(C)CCCC[C@H]1O 238470721 573684405 /nfs/dbraw/zinc/68/44/05/573684405.db2.gz NUXQQWJFQRZUHJ-ZJUUUORDSA-N 0 0 154.253 2.504 10 30 AFEERN Cc1cc(CC#N)ccc1OC1CC1 238470347 573684461 /nfs/dbraw/zinc/68/44/61/573684461.db2.gz OOFPOJIEULVGHV-UHFFFAOYSA-N 0 0 187.242 2.602 10 30 AFEERN Cc1cc(CCC#N)cc2ccn(C)c12 214946713 573684595 /nfs/dbraw/zinc/68/45/95/573684595.db2.gz URIXGMBKPGZJME-UHFFFAOYSA-N 0 0 198.269 2.943 10 30 AFEERN C[C@@H](C=O)Cc1cccc(Cl)c1 78946248 573684735 /nfs/dbraw/zinc/68/47/35/573684735.db2.gz JMJNBPKLNYYPOL-MRVPVSSYSA-N 0 0 182.650 2.718 10 30 AFEERN Cc1ccc(NCC2(C#N)CC2)cc1 258701603 573684773 /nfs/dbraw/zinc/68/47/73/573684773.db2.gz RIDBCUPINXZDRT-UHFFFAOYSA-N 0 0 186.258 2.711 10 30 AFEERN Cc1cc(CC#N)nc(C(F)F)c1C 238470621 573685037 /nfs/dbraw/zinc/68/50/37/573685037.db2.gz GVMLPCIRZVTWGL-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CO/N=C/C(C)=C/c1ccccc1 223238613 573685048 /nfs/dbraw/zinc/68/50/48/573685048.db2.gz DLFQFEIMQPVUIU-AXDLQRQNSA-N 0 0 175.231 2.722 10 30 AFEERN C/C=C/CSc1ncccc1C#N 306673733 573685276 /nfs/dbraw/zinc/68/52/76/573685276.db2.gz OHWAWCHJFVGGGT-NSCUHMNNSA-N 0 0 190.271 2.621 10 30 AFEERN CCCC=NNCc1ccccc1 308422237 573687235 /nfs/dbraw/zinc/68/72/35/573687235.db2.gz PBHJEGVLYIALKN-UHFFFAOYSA-N 0 0 176.263 2.562 10 30 AFEERN C[C@@H]1C=CC2=CC(=O)CC[C@@]2(C)C1 238478589 573687032 /nfs/dbraw/zinc/68/70/32/573687032.db2.gz FWTDYNBWCCPHTD-SKDRFNHKSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@H]1C[C@@H](C)C[C@]2(C)C(=O)C=C[C@@H]12 238478893 573687102 /nfs/dbraw/zinc/68/71/02/573687102.db2.gz ALSVOUOHXSTGCE-WDCWCFNPSA-N 0 0 178.275 2.814 10 30 AFEERN CC[C@H](CC#N)c1ccc(O)c(F)c1 259557245 573689610 /nfs/dbraw/zinc/68/96/10/573689610.db2.gz ABFFGWMJPNNWKR-MRVPVSSYSA-N 0 0 193.221 2.939 10 30 AFEERN Cc1ccc2ccc(CCC#N)nc2c1 259557158 573687967 /nfs/dbraw/zinc/68/79/67/573687967.db2.gz HWPQQOGQCDQUOI-UHFFFAOYSA-N 0 0 196.253 2.999 10 30 AFEERN C[C@@H]([NH2+]CCC#N)C1C(C)(C)C1(C)C 308677037 573687995 /nfs/dbraw/zinc/68/79/95/573687995.db2.gz WNIJKQWFLKLHEK-SECBINFHSA-N 0 0 194.322 2.560 10 30 AFEERN C=C[C@@H](C)Sc1nccn1CCC 308417106 573688461 /nfs/dbraw/zinc/68/84/61/573688461.db2.gz NLTZWYASFPJNFV-SECBINFHSA-N 0 0 196.319 2.960 10 30 AFEERN C=C[C@H](C)c1noc(/C(C)=C\C)n1 306306022 573688624 /nfs/dbraw/zinc/68/86/24/573688624.db2.gz FCICNBANHZFRQT-VQKCLUMFSA-N 0 0 178.235 2.782 10 30 AFEERN N#CC1(CNc2ccccc2F)CC1 258707443 573688645 /nfs/dbraw/zinc/68/86/45/573688645.db2.gz SBWSNCBNZOEDOH-UHFFFAOYSA-N 0 0 190.221 2.541 10 30 AFEERN C[C@H]1C[C@@H](C)CC2=CC(=O)CC[C@@H]21 238479336 573688682 /nfs/dbraw/zinc/68/86/82/573688682.db2.gz STTPJRRTLFULCO-VDDIYKPWSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@H](O)C#C[Si](C)(C)C1CCCC1 238479026 573689647 /nfs/dbraw/zinc/68/96/47/573689647.db2.gz IQOABMXAQBWIES-JTQLQIEISA-N 0 0 196.366 2.562 10 30 AFEERN C=C1C[C@]2(C=CC(=O)CC2)C[C@@H]1C 238478940 573689084 /nfs/dbraw/zinc/68/90/84/573689084.db2.gz VCKRNLLSNFXNNQ-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccccc1NCC(C)(C)C#N 258733827 573689134 /nfs/dbraw/zinc/68/91/34/573689134.db2.gz VKGBGGINEMPMSN-UHFFFAOYSA-N 0 0 188.274 2.957 10 30 AFEERN CC#CCCCOC(=O)CCCC 308417065 573689170 /nfs/dbraw/zinc/68/91/70/573689170.db2.gz NKUKOOOPGFYUOI-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN C=CC(C)(C)C/C=C(/C)CO 238479030 573689363 /nfs/dbraw/zinc/68/93/63/573689363.db2.gz IROOTZSCHDYANH-TWGQIWQCSA-N 0 0 154.253 2.527 10 30 AFEERN Cc1coc2c(CCC=O)cccc12 258085541 573689408 /nfs/dbraw/zinc/68/94/08/573689408.db2.gz NLUKSNUUWGPMCI-UHFFFAOYSA-N 0 0 188.226 2.873 10 30 AFEERN C[C@H]1C[C@]2(C)CCCC2=CC1=O 238478608 573689597 /nfs/dbraw/zinc/68/95/97/573689597.db2.gz DQNOLAATCBXNIU-KWQFWETISA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)c1cc([C@@H](C)C#N)sn1 259555827 573689511 /nfs/dbraw/zinc/68/95/11/573689511.db2.gz DLVRWVKHROBOCK-ZETCQYMHSA-N 0 0 180.276 2.894 10 30 AFEERN Cc1[nH]c2c(C)c(F)ccc2c1C#N 238478836 573689670 /nfs/dbraw/zinc/68/96/70/573689670.db2.gz FORSCAYIHNBMSL-UHFFFAOYSA-N 0 0 188.205 2.796 10 30 AFEERN C[C@H]([NH2+]CCC#N)C1C(C)(C)C1(C)C 308677038 573689848 /nfs/dbraw/zinc/68/98/48/573689848.db2.gz WNIJKQWFLKLHEK-VIFPVBQESA-N 0 0 194.322 2.560 10 30 AFEERN C=C[C@@H](O)C/C=C\c1ccccc1 214950714 573689857 /nfs/dbraw/zinc/68/98/57/573689857.db2.gz HLUQQOCNAVPDKU-OJIASSBASA-N 0 0 174.243 2.637 10 30 AFEERN C[C@@H](CC#N)C(=O)[C@@H](C)C(C)(C)C 393549393 573690084 /nfs/dbraw/zinc/69/00/84/573690084.db2.gz UBQGYJJFVCBLER-DTWKUNHWSA-N 0 0 181.279 2.787 10 30 AFEERN C[C@H](C#N)Nc1cn(C)c2ccccc12 258882044 573690167 /nfs/dbraw/zinc/69/01/67/573690167.db2.gz VRDVFRJAFJJKDH-SECBINFHSA-N 0 0 199.257 2.502 10 30 AFEERN CC1=C(c2ccco2)C(=O)[C@H](C)C1 238478602 573690303 /nfs/dbraw/zinc/69/03/03/573690303.db2.gz SXGPZTLIMXVQNX-MRVPVSSYSA-N 0 0 176.215 2.662 10 30 AFEERN C=C([C@@H](O)[C@H](C)C(C)C)C(F)(F)F 393550267 573690397 /nfs/dbraw/zinc/69/03/97/573690397.db2.gz PDPNRTHTQQDZNU-SVRRBLITSA-N 0 0 196.212 2.758 10 30 AFEERN CCC[C@H](CC=O)C(C)(F)F 258510866 573690416 /nfs/dbraw/zinc/69/04/16/573690416.db2.gz LHCBRXAAEIRZNE-SSDOTTSWSA-N 0 0 164.195 2.647 10 30 AFEERN Cc1cc(O)c(C(C)C)cc1CC#N 258093578 573691217 /nfs/dbraw/zinc/69/12/17/573691217.db2.gz OFDCNHRZCRNUFS-UHFFFAOYSA-N 0 0 189.258 2.890 10 30 AFEERN C=C(C)CCN(C)c1nc(C)cs1 308419092 573691307 /nfs/dbraw/zinc/69/13/07/573691307.db2.gz OBIFVKICEJQRSC-UHFFFAOYSA-N 0 0 196.319 2.854 10 30 AFEERN CN[C@@H](S)c1c(C)cc(C)cc1C 259161691 573691342 /nfs/dbraw/zinc/69/13/42/573691342.db2.gz CXFMOJFPPMALJV-NSHDSACASA-N 0 0 195.331 2.760 10 30 AFEERN C[C@H](C=O)C[C@@H]1CCOC2(CCC2)C1 86915223 573691349 /nfs/dbraw/zinc/69/13/49/573691349.db2.gz XCXNSMXMMFIKEQ-QWRGUYRKSA-N 0 0 196.290 2.561 10 30 AFEERN C=C(CO)Sc1ccccc1C 238485510 573691376 /nfs/dbraw/zinc/69/13/76/573691376.db2.gz FPQPBODMSUPUFH-UHFFFAOYSA-N 0 0 180.272 2.593 10 30 AFEERN CC1(C)Oc2cc(C#N)ccc2S1 258085621 573691446 /nfs/dbraw/zinc/69/14/46/573691446.db2.gz NORQCOMRAYKMEU-UHFFFAOYSA-N 0 0 191.255 2.779 10 30 AFEERN Cc1csc(C[C@H](C#N)C(C)C)n1 259170939 573691548 /nfs/dbraw/zinc/69/15/48/573691548.db2.gz GIOSXECYRVSIML-SECBINFHSA-N 0 0 194.303 2.790 10 30 AFEERN C[C@@H](C=O)C[C@H]1CCOC2(CCC2)C1 86915231 573691712 /nfs/dbraw/zinc/69/17/12/573691712.db2.gz XCXNSMXMMFIKEQ-GHMZBOCLSA-N 0 0 196.290 2.561 10 30 AFEERN C=C([C@@H](O)[C@@H](C)C(C)C)C(F)(F)F 393550269 573692935 /nfs/dbraw/zinc/69/29/35/573692935.db2.gz PDPNRTHTQQDZNU-XPUUQOCRSA-N 0 0 196.212 2.758 10 30 AFEERN C=C[C@H](C)[C@@H](O)C/C(C)=C\C 237977334 573692473 /nfs/dbraw/zinc/69/24/73/573692473.db2.gz XMYDJHMXOAWMOW-VAJAEUGUSA-N 0 0 154.253 2.526 10 30 AFEERN CC(C)OCC1(C=O)CCCCC1 317620985 573692603 /nfs/dbraw/zinc/69/26/03/573692603.db2.gz VAOCBVBEXSUXHI-UHFFFAOYSA-N 0 0 184.279 2.561 10 30 AFEERN CCCCOCCCCS 78974593 573692654 /nfs/dbraw/zinc/69/26/54/573692654.db2.gz AJXDYCMSMDFHNK-UHFFFAOYSA-N 0 0 162.298 2.513 10 30 AFEERN C=C([C@H](O)[C@@H](C)C(C)C)C(F)(F)F 393550266 573692774 /nfs/dbraw/zinc/69/27/74/573692774.db2.gz PDPNRTHTQQDZNU-POYBYMJQSA-N 0 0 196.212 2.758 10 30 AFEERN C/N=C(\SC)C1CCCC1 258881971 573693858 /nfs/dbraw/zinc/69/38/58/573693858.db2.gz XVCDAIVJCVLXIM-HJWRWDBZSA-N 0 0 157.282 2.568 10 30 AFEERN CC1=CCC[C@H](C)[C@]12C=CC(=O)C2 238481953 573693926 /nfs/dbraw/zinc/69/39/26/573693926.db2.gz GJUUCRAFOIFWFU-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN O=CCC[C@H]1CCOC2(CCCC2)C1 86915125 573693968 /nfs/dbraw/zinc/69/39/68/573693968.db2.gz ZKGTXSWLQPDMLY-NSHDSACASA-N 0 0 196.290 2.705 10 30 AFEERN O=CC[C@@H]1CCOC2(CCCCC2)C1 86914109 573693974 /nfs/dbraw/zinc/69/39/74/573693974.db2.gz KZFAJJFTLHZPDZ-LLVKDONJSA-N 0 0 196.290 2.705 10 30 AFEERN C=C([C@H](O)[C@H](C)C(C)C)C(F)(F)F 393550265 573694064 /nfs/dbraw/zinc/69/40/64/573694064.db2.gz PDPNRTHTQQDZNU-HTRCEHHLSA-N 0 0 196.212 2.758 10 30 AFEERN CC1=CCC[C@H](C)[C@]12CC=CC2=O 238481732 573694075 /nfs/dbraw/zinc/69/40/75/573694075.db2.gz XLGLZAKRALOUKF-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN O=CCC[C@@H]1CCOC2(CCCC2)C1 86915123 573694126 /nfs/dbraw/zinc/69/41/26/573694126.db2.gz ZKGTXSWLQPDMLY-LLVKDONJSA-N 0 0 196.290 2.705 10 30 AFEERN C[C@H]1CCC2=CCCC[C@]21C=O 238481243 573694238 /nfs/dbraw/zinc/69/42/38/573694238.db2.gz PTAZSORUCMLMJP-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H](C)[C@H]1CCCC(=O)C1 197476722 573694285 /nfs/dbraw/zinc/69/42/85/573694285.db2.gz OJDRKPJDAWCHHG-BDAKNGLRSA-N 0 0 152.237 2.568 10 30 AFEERN CCc1ccc(C)c(CC#N)c1 258088280 573694327 /nfs/dbraw/zinc/69/43/27/573694327.db2.gz WLROOXGKDOSBCL-UHFFFAOYSA-N 0 0 159.232 2.624 10 30 AFEERN CC(=O)C1=CCC[C@@H]1C(C)C 197465538 573695643 /nfs/dbraw/zinc/69/56/43/573695643.db2.gz UDKBJVGADBANLI-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCCN(CC(F)(F)F)C1CC1 393550624 573695649 /nfs/dbraw/zinc/69/56/49/573695649.db2.gz DOMOSBOKIHSRLV-UHFFFAOYSA-N 0 0 193.212 2.589 10 30 AFEERN CSc1c(F)cc(CC#N)cc1F 258087092 573695183 /nfs/dbraw/zinc/69/51/83/573695183.db2.gz JIJXWYRVRUINOH-UHFFFAOYSA-N 0 0 199.225 2.753 10 30 AFEERN C[C@H](C=O)C[C@H]1CCOC2(CCC2)C1 86915229 573695233 /nfs/dbraw/zinc/69/52/33/573695233.db2.gz XCXNSMXMMFIKEQ-WDEREUQCSA-N 0 0 196.290 2.561 10 30 AFEERN C=C(/C=C/C)[C@H](O)c1ccccc1 237991945 573696053 /nfs/dbraw/zinc/69/60/53/573696053.db2.gz DXBCGBJNELOHIE-QBODLPLBSA-N 0 0 174.243 2.852 10 30 AFEERN C[C@@]1(c2ccccc2Cl)C[C@H]1C=O 257851191 573695335 /nfs/dbraw/zinc/69/53/35/573695335.db2.gz OXUGRAFUAPCSAH-GZMMTYOYSA-N 0 0 194.661 2.817 10 30 AFEERN C[C@H]1Cc2cc(Cl)cc(C#N)c2O1 238481847 573695456 /nfs/dbraw/zinc/69/54/56/573695456.db2.gz YUJAYIBBCOUQKX-LURJTMIESA-N 0 0 193.633 2.535 10 30 AFEERN C[C@H]1CCC2=CCCC[C@@]21C=O 238481258 573695463 /nfs/dbraw/zinc/69/54/63/573695463.db2.gz PTAZSORUCMLMJP-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)C1=CCC[C@H]1C(C)C 197465529 573695614 /nfs/dbraw/zinc/69/56/14/573695614.db2.gz UDKBJVGADBANLI-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H](C)[C@@H](O)C/C(C)=C\C 237977366 573695757 /nfs/dbraw/zinc/69/57/57/573695757.db2.gz XMYDJHMXOAWMOW-ZLQFYDKZSA-N 0 0 154.253 2.526 10 30 AFEERN Cc1cc(C#N)cc2ccoc12 238481285 573695781 /nfs/dbraw/zinc/69/57/81/573695781.db2.gz UGVYPDZUFBSGSX-UHFFFAOYSA-N 0 0 157.172 2.613 10 30 AFEERN CN[C@H](S)c1c(C)cc(C)cc1C 259161686 573695792 /nfs/dbraw/zinc/69/57/92/573695792.db2.gz CXFMOJFPPMALJV-LLVKDONJSA-N 0 0 195.331 2.760 10 30 AFEERN C[C@H](O)C/C=C\CCCCCCC=O 393551550 573695855 /nfs/dbraw/zinc/69/58/55/573695855.db2.gz GPRZCHVPCYRZJP-VFFGBVLKSA-N 0 0 198.306 2.853 10 30 AFEERN CC(=O)C[C@@]1(C=O)C(C)=CCC[C@@H]1C 238481652 573696079 /nfs/dbraw/zinc/69/60/79/573696079.db2.gz XXFVZQYYRIJSIF-CMPLNLGQSA-N 0 0 194.274 2.527 10 30 AFEERN C[C@@H](c1ccccc1)[C@@H]1C[C@@H]1C=O 238482006 573696041 /nfs/dbraw/zinc/69/60/41/573696041.db2.gz LDULLWVINPBSGP-WCQGTBRESA-N 0 0 174.243 2.625 10 30 AFEERN C=C[C@]1(C)CCCC[C@@H]1CC=O 238482714 573700010 /nfs/dbraw/zinc/70/00/10/573700010.db2.gz YMRRDNPGEXADSS-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1sc2c(C#N)cccc2c1N 306688122 573700768 /nfs/dbraw/zinc/70/07/68/573700768.db2.gz MKXDUNRBFJZCFG-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=C(C)C/C=C/[C@@H](C)[C@H](C)O 238483144 573700808 /nfs/dbraw/zinc/70/08/08/573700808.db2.gz HTRYDBXKUCVCLX-NVETZNIKSA-N 0 0 154.253 2.526 10 30 AFEERN CC(C)(F)c1ccc(F)c(C#N)c1 258099853 573700838 /nfs/dbraw/zinc/70/08/38/573700838.db2.gz XSOXIYJFLYKOSD-UHFFFAOYSA-N 0 0 181.185 2.902 10 30 AFEERN C=C[C@@H](C)[C@@H]1CCCC(=O)C1 197476695 573699218 /nfs/dbraw/zinc/69/92/18/573699218.db2.gz OJDRKPJDAWCHHG-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@@H](O)[C@@H]1C=C(/C=C/C)CCC1 237998130 573699248 /nfs/dbraw/zinc/69/92/48/573699248.db2.gz UHIWLYHACMIDNM-CXILLOQGSA-N 0 0 178.275 2.836 10 30 AFEERN C#CC1(c2ccncc2)CCCC1 237999474 573699256 /nfs/dbraw/zinc/69/92/56/573699256.db2.gz RYSITMOMUKJMPC-UHFFFAOYSA-N 0 0 171.243 2.527 10 30 AFEERN C=C[C@H](O)[C@H]1C=C(/C=C/C)CCC1 237998310 573699313 /nfs/dbraw/zinc/69/93/13/573699313.db2.gz UHIWLYHACMIDNM-ZBWCZXCSSA-N 0 0 178.275 2.836 10 30 AFEERN C[Si](C)(C)C12[C@H]3CC(C[C@H]31)[C@@H]2C=O 197477742 573699450 /nfs/dbraw/zinc/69/94/50/573699450.db2.gz MEWSUJGHUOACHP-OIYZBFHHSA-N 0 0 194.350 2.550 10 30 AFEERN C=CCN=C(C)Nc1ccccc1F 238482420 573699521 /nfs/dbraw/zinc/69/95/21/573699521.db2.gz TUTGKLIFEBBEEC-UHFFFAOYSA-N 0 0 192.237 2.651 10 30 AFEERN C=C[C@@]1(C(C)=O)C=CCC[C@@H]1C 238483072 573699640 /nfs/dbraw/zinc/69/96/40/573699640.db2.gz UDSBIOYGHLGDMW-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@H](C)[C@H]1CCCC(=O)C1 197476708 573699669 /nfs/dbraw/zinc/69/96/69/573699669.db2.gz OJDRKPJDAWCHHG-IUCAKERBSA-N 0 0 152.237 2.568 10 30 AFEERN Cn1ccc2cc(CCC#N)ccc21 259168633 573699730 /nfs/dbraw/zinc/69/97/30/573699730.db2.gz KQHYNRDLMHCJEY-UHFFFAOYSA-N 0 0 184.242 2.634 10 30 AFEERN Cc1ccsc1C1(C#N)CC1 238482871 573699896 /nfs/dbraw/zinc/69/98/96/573699896.db2.gz KPUQQPIDEWNRKC-UHFFFAOYSA-N 0 0 163.245 2.612 10 30 AFEERN C[C@H]1CCC=C2C(=O)CC[C@@]21C 238482609 573699914 /nfs/dbraw/zinc/69/99/14/573699914.db2.gz IDUCIUHNAJCVMI-GZMMTYOYSA-N 0 0 164.248 2.712 10 30 AFEERN C#CC1(c2ccc[nH]2)CCCCC1 237999138 573699942 /nfs/dbraw/zinc/69/99/42/573699942.db2.gz BUVFQLSXFSJOKX-UHFFFAOYSA-N 0 0 173.259 2.850 10 30 AFEERN N#Cc1scnc1-c1ccccc1 259169256 573700078 /nfs/dbraw/zinc/70/00/78/573700078.db2.gz JEYWMCBDINZNDH-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN C[C@H]1CCC=C2C(=O)CC[C@]21C 238482593 573700132 /nfs/dbraw/zinc/70/01/32/573700132.db2.gz IDUCIUHNAJCVMI-KWQFWETISA-N 0 0 164.248 2.712 10 30 AFEERN C#C[C@@H](O)C(C)(C)CC1=CCC[C@@H]1C 238482401 573700183 /nfs/dbraw/zinc/70/01/83/573700183.db2.gz KUGVUMAWWSMOJF-CMPLNLGQSA-N 0 0 192.302 2.753 10 30 AFEERN C[C@@H](CC(F)F)CC1(C#N)CC1 688750152 573700202 /nfs/dbraw/zinc/70/02/02/573700202.db2.gz WKNZZUJQNWILSD-ZETCQYMHSA-N 0 0 173.206 2.972 10 30 AFEERN C=C[C@]1(C(C)=O)C=CCC[C@@H]1C 238483217 573700297 /nfs/dbraw/zinc/70/02/97/573700297.db2.gz UDSBIOYGHLGDMW-ONGXEEELSA-N 0 0 164.248 2.734 10 30 AFEERN C=CCC[C@@H](O)[C@H]1C=CCCC1 238700194 573700444 /nfs/dbraw/zinc/70/04/44/573700444.db2.gz HYZNJACXMYSWJR-WDEREUQCSA-N 0 0 166.264 2.670 10 30 AFEERN C[C@H]1CCC=C[C@@]2(C)CC(=O)C=C12 238483121 573700549 /nfs/dbraw/zinc/70/05/49/573700549.db2.gz QMKUDURXPBXRLQ-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@]1(C)CCCC[C@H]1C=O 238482753 573700714 /nfs/dbraw/zinc/70/07/14/573700714.db2.gz FQIMJGHDPDDKSY-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C#CCC(C)(C)[C@@H](O)C1=CCC[C@@H]1C 238482503 573701040 /nfs/dbraw/zinc/70/10/40/573701040.db2.gz LMNNEIXZTWILKC-JQWIXIFHSA-N 0 0 192.302 2.753 10 30 AFEERN C=C[C@]1(C)CCc2cc(O)ccc21 238482918 573701066 /nfs/dbraw/zinc/70/10/66/573701066.db2.gz NERGYQZNSRXADO-GFCCVEGCSA-N 0 0 174.243 2.782 10 30 AFEERN C/C(=N/O)Nc1ccccc1Cl 238482834 573701144 /nfs/dbraw/zinc/70/11/44/573701144.db2.gz HYRPYDZHDYQGPH-UHFFFAOYSA-N 0 0 184.626 2.560 10 30 AFEERN C=C[C@@H](O)[C@H]1C=C(/C=C/C)CCC1 237998339 573701181 /nfs/dbraw/zinc/70/11/81/573701181.db2.gz UHIWLYHACMIDNM-JKNNBXRXSA-N 0 0 178.275 2.836 10 30 AFEERN N#Cc1cnc(CC2CCCCC2)o1 259558254 573701207 /nfs/dbraw/zinc/70/12/07/573701207.db2.gz DWMBIQIRKQRMCY-UHFFFAOYSA-N 0 0 190.246 2.669 10 30 AFEERN C=C[C@]1(C)CCCC[C@H]1CC=O 238482775 573701235 /nfs/dbraw/zinc/70/12/35/573701235.db2.gz YMRRDNPGEXADSS-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@]1(C)CCCC[C@@H]1C=O 238482698 573701314 /nfs/dbraw/zinc/70/13/14/573701314.db2.gz FQIMJGHDPDDKSY-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)CC[C@@H]1CC[C@H](C)C1=O 238482659 573701372 /nfs/dbraw/zinc/70/13/72/573701372.db2.gz DSNYNTNAUQAOFP-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCC[C@@H](C)Nc1cccnc1 126857869 573701383 /nfs/dbraw/zinc/70/13/83/573701383.db2.gz PNQKSXQQPGOHGP-SNVBAGLBSA-N 0 0 176.263 2.848 10 30 AFEERN C=CC(=O)[C@@H]1CCC[C@H](C)C1 83943994 573701460 /nfs/dbraw/zinc/70/14/60/573701460.db2.gz HTANNSSGMCGGJA-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H](O)[C@@H]1C=C(/C=C/C)CCC1 237998105 573701463 /nfs/dbraw/zinc/70/14/63/573701463.db2.gz UHIWLYHACMIDNM-NDYVEPOPSA-N 0 0 178.275 2.836 10 30 AFEERN Cc1ccccc1-c1cc(C#N)n(C)c1 259171431 573701524 /nfs/dbraw/zinc/70/15/24/573701524.db2.gz KYJZPWCIEWAUOB-UHFFFAOYSA-N 0 0 196.253 2.872 10 30 AFEERN C=CC[C@@H]1CC[C@H](C)CC(=O)C1 238482371 573701536 /nfs/dbraw/zinc/70/15/36/573701536.db2.gz QNXUJTLZRFSPIP-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C#C[C@H](O)C(C)(C)CC1=CCC[C@@H]1C 238482386 573701588 /nfs/dbraw/zinc/70/15/88/573701588.db2.gz KUGVUMAWWSMOJF-JQWIXIFHSA-N 0 0 192.302 2.753 10 30 AFEERN C[C@H]1CCC=C1CC(C)(C)C=O 238482358 573701709 /nfs/dbraw/zinc/70/17/09/573701709.db2.gz FYROTDVJDQBTEY-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN Cc1[nH]c2cc(F)c(F)cc2c1C#N 238482294 573701767 /nfs/dbraw/zinc/70/17/67/573701767.db2.gz IEUIVNFKFHKMEJ-UHFFFAOYSA-N 0 0 192.168 2.626 10 30 AFEERN C=CC(=O)C(C)(C)c1ccc(F)cc1 83944315 573701769 /nfs/dbraw/zinc/70/17/69/573701769.db2.gz DDFMDWUOMOPLLS-UHFFFAOYSA-N 0 0 192.233 2.858 10 30 AFEERN C=C[C@]1(C)CCc2cccc(O)c21 238482939 573701943 /nfs/dbraw/zinc/70/19/43/573701943.db2.gz SIHVDSAAMIATFD-GFCCVEGCSA-N 0 0 174.243 2.782 10 30 AFEERN C[C@H]1CCC=C2C(=O)C=CC[C@@]21C 238482558 573702018 /nfs/dbraw/zinc/70/20/18/573702018.db2.gz QXPBHUZBAWESPA-JOYOIKCWSA-N 0 0 176.259 2.878 10 30 AFEERN C=CC(=O)C1CCCCCC1 83944504 573702049 /nfs/dbraw/zinc/70/20/49/573702049.db2.gz GGBFIZHJQIYGFV-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=CCC(=NNCCCC)C1CC1 308424892 573702088 /nfs/dbraw/zinc/70/20/88/573702088.db2.gz QNDCQQPHYQTFNO-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN C=CC[C@H](O)c1ccc(Cl)o1 236522388 573702211 /nfs/dbraw/zinc/70/22/11/573702211.db2.gz ZGMBHBBEDBKOOL-LURJTMIESA-N 0 0 172.611 2.543 10 30 AFEERN C=CC(=O)c1ccc(Cl)cc1F 83944188 573702221 /nfs/dbraw/zinc/70/22/21/573702221.db2.gz QDGUYCWSKXCCBI-UHFFFAOYSA-N 0 0 184.597 2.848 10 30 AFEERN C[C@H]1CCC=C2C(=O)C=CC[C@]21C 238482543 573702307 /nfs/dbraw/zinc/70/23/07/573702307.db2.gz QXPBHUZBAWESPA-CABZTGNLSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1cccc(OC(C)C)c1C#N 258088477 573702266 /nfs/dbraw/zinc/70/22/66/573702266.db2.gz WPPINQVLBWKPJB-UHFFFAOYSA-N 0 0 175.231 2.654 10 30 AFEERN C[C@H]1CCC=CC(=O)C1(C)C 238482889 573702269 /nfs/dbraw/zinc/70/22/69/573702269.db2.gz HZMKXEWMRPMCPR-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)[C@H]1CCC[C@@H](CC)C1 83944525 573703190 /nfs/dbraw/zinc/70/31/90/573703190.db2.gz GUMNBWJCLWHMES-ZJUUUORDSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=O)[C@@H]1CCC[C@H](CC)C1 83944531 573703145 /nfs/dbraw/zinc/70/31/45/573703145.db2.gz GUMNBWJCLWHMES-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccc(OC2CCC2)cc1C#N 238483590 573703164 /nfs/dbraw/zinc/70/31/64/573703164.db2.gz ZQAMECYHVORIHO-UHFFFAOYSA-N 0 0 187.242 2.798 10 30 AFEERN C=C1C[C@@]23CCCC(=O)[C@@]12CCC3 238014609 573703249 /nfs/dbraw/zinc/70/32/49/573703249.db2.gz DGZZPHJJSHJKII-NWDGAFQWSA-N 0 0 176.259 2.856 10 30 AFEERN Cc1nc2ccc([C@H]3O[C@@H]3C)cc2o1 259176654 573703277 /nfs/dbraw/zinc/70/32/77/573703277.db2.gz HCDREXFDYSLART-KBUNVGBDSA-N 0 0 189.214 2.596 10 30 AFEERN C=CCc1cccc2c1N[C@@H](C)C2 238484013 573703336 /nfs/dbraw/zinc/70/33/36/573703336.db2.gz BBNBEAPWDBTKOK-VIFPVBQESA-N 0 0 173.259 2.772 10 30 AFEERN C[C@H]1Cc2ccc([C@@H](C)C=O)cc2C1 238483639 573703363 /nfs/dbraw/zinc/70/33/63/573703363.db2.gz BANRPHAEPNIURS-UWVGGRQHSA-N 0 0 188.270 2.724 10 30 AFEERN C=CC(=O)[C@@H]1CCC[C@@H](C)C1 83943986 573703539 /nfs/dbraw/zinc/70/35/39/573703539.db2.gz HTANNSSGMCGGJA-RKDXNWHRSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)c1cc(F)ccc1C 83944034 573703398 /nfs/dbraw/zinc/70/33/98/573703398.db2.gz KKKJJGDYTOZMAK-UHFFFAOYSA-N 0 0 164.179 2.503 10 30 AFEERN C=C1C[C@@H]1C(=O)C1CCCCC1 238012899 573704933 /nfs/dbraw/zinc/70/49/33/573704933.db2.gz HXRVSMFIYYVYQL-JTQLQIEISA-N 0 0 164.248 2.712 10 30 AFEERN CCCN(CC#N)[C@H](C)[C@@H](C)CC 308422412 573704383 /nfs/dbraw/zinc/70/43/83/573704383.db2.gz PDOIIUKKIQBMSJ-WDEREUQCSA-N 0 0 182.311 2.657 10 30 AFEERN C=C1C[C@]23CCCC[C@]12CCC3=O 238016677 573704509 /nfs/dbraw/zinc/70/45/09/573704509.db2.gz NGXXGFYTQHEXRH-RYUDHWBXSA-N 0 0 176.259 2.856 10 30 AFEERN C=CC(=O)c1cc2ccccc2o1 83944198 573704622 /nfs/dbraw/zinc/70/46/22/573704622.db2.gz KWKJRKJHFGEMAR-UHFFFAOYSA-N 0 0 172.183 2.802 10 30 AFEERN C=CC(=O)c1ccc2ccccc2n1 83944211 573704635 /nfs/dbraw/zinc/70/46/35/573704635.db2.gz OZEKUCGOUQPNGP-UHFFFAOYSA-N 0 0 183.210 2.604 10 30 AFEERN Cc1nc2ccc([C@@H]3O[C@@H]3C)cc2o1 259176660 573704642 /nfs/dbraw/zinc/70/46/42/573704642.db2.gz HCDREXFDYSLART-KSBSHMNSSA-N 0 0 189.214 2.596 10 30 AFEERN C=C[C@]1(C)C(=O)CCC[C@@H]1C 238484031 573704681 /nfs/dbraw/zinc/70/46/81/573704681.db2.gz WBLGDOJIZXHPMO-WPRPVWTQSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC(=O)Cc1ccc(F)cc1Cl 83944134 573704697 /nfs/dbraw/zinc/70/46/97/573704697.db2.gz UKUXSGZAKXRKMR-UHFFFAOYSA-N 0 0 198.624 2.777 10 30 AFEERN C[C@H]1CCCC(=O)C2=CCC[C@@H]21 238483539 573704763 /nfs/dbraw/zinc/70/47/63/573704763.db2.gz SZKUTNJNQVPZTN-DTWKUNHWSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@H]1CC(=O)CCC[C@@H]1C 238483620 573704777 /nfs/dbraw/zinc/70/47/77/573704777.db2.gz QOUOLIIPZIUMEY-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccc2c(CS)cn(C)c2c1 257849536 573705007 /nfs/dbraw/zinc/70/50/07/573705007.db2.gz BHDADMZVNYCKOX-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN Cc1nc(CCCC#N)oc1C1CC1 259618438 573705166 /nfs/dbraw/zinc/70/51/66/573705166.db2.gz HEDVGNSEGQVFDI-UHFFFAOYSA-N 0 0 190.246 2.707 10 30 AFEERN CC(C)=C1C(=O)CCC[C@@H]1C 238483485 573705266 /nfs/dbraw/zinc/70/52/66/573705266.db2.gz CVQLXAHBFSPKPM-QMMMGPOBSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1[nH]c2ccc(F)c(C)c2c1C#N 238484029 573705504 /nfs/dbraw/zinc/70/55/04/573705504.db2.gz CMEZORMBIKOSIA-UHFFFAOYSA-N 0 0 188.205 2.796 10 30 AFEERN C=C1C[C@H]1CC[C@H]1CCCC1=O 238015356 573705565 /nfs/dbraw/zinc/70/55/65/573705565.db2.gz MUYHGDOGWNXFTL-NXEZZACHSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1C[C@@H]1CC[C@@H]1CCCC1=O 238013172 573705612 /nfs/dbraw/zinc/70/56/12/573705612.db2.gz MUYHGDOGWNXFTL-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)C[C@H](C)[C@H]1CCC[C@H](C=O)O1 308688485 573705639 /nfs/dbraw/zinc/70/56/39/573705639.db2.gz QNZQUVKYHNJNGI-QJPTWQEYSA-N 0 0 198.306 2.805 10 30 AFEERN C=CC(=O)[C@H]1CCC[C@H](CC)C1 83944526 573705668 /nfs/dbraw/zinc/70/56/68/573705668.db2.gz GUMNBWJCLWHMES-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1CCCC[C@]12CCCC2=O 238010802 573708049 /nfs/dbraw/zinc/70/80/49/573708049.db2.gz KCBHTRGONRGCFT-NSHDSACASA-N 0 0 164.248 2.856 10 30 AFEERN C=C([C@@H](O)C1(CC)CC1)C(F)(F)F 393553662 573707949 /nfs/dbraw/zinc/70/79/49/573707949.db2.gz YDYDEKNXENMROK-SSDOTTSWSA-N 0 0 194.196 2.656 10 30 AFEERN C=CCCCCC[C@H](O)[C@@H]1CCOC1 236536236 573708015 /nfs/dbraw/zinc/70/80/15/573708015.db2.gz SVNPGOUEBYNFGY-NEPJUHHUSA-N 0 0 198.306 2.520 10 30 AFEERN C=C1C[C@@]23CCC[C@@]12CCCC3=O 238014915 573707297 /nfs/dbraw/zinc/70/72/97/573707297.db2.gz XRPDDVKWXYOJIQ-NWDGAFQWSA-N 0 0 176.259 2.856 10 30 AFEERN C=C1C[C@]2(C)[C@@H](C)CCC(=O)[C@@H]12 238477314 573707476 /nfs/dbraw/zinc/70/74/76/573707476.db2.gz SHOQUFWRKWVFQY-JMJZKYOTSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1CCC[C@]12C(=O)CC[C@@H]2C 238477595 573707510 /nfs/dbraw/zinc/70/75/10/573707510.db2.gz WYFZUYXTGALHMM-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CC[C@]2(C)[C@@H](C)CCC(=O)[C@@H]12 238477283 573707511 /nfs/dbraw/zinc/70/75/11/573707511.db2.gz ONJIMYDIHREVHM-MVWJERBFSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@H](O)c1ccoc1Cl 236535294 573707643 /nfs/dbraw/zinc/70/76/43/573707643.db2.gz MSJVSNUHGDTJEY-SSDOTTSWSA-N 0 0 172.611 2.543 10 30 AFEERN CC(=O)[C@@H]1CC[C@H](C)[C@@H](CC#N)C1 238477268 573707688 /nfs/dbraw/zinc/70/76/88/573707688.db2.gz JIYQQXDDWPRFCV-INTQDDNPSA-N 0 0 179.263 2.541 10 30 AFEERN COc1c(C#N)cc(Cl)c(F)c1C 258100019 573707829 /nfs/dbraw/zinc/70/78/29/573707829.db2.gz KLFHVEBEUYTFFK-UHFFFAOYSA-N 0 0 199.612 2.668 10 30 AFEERN C=CC(=O)[C@H]1CCc2ccccc2C1 83944646 573708183 /nfs/dbraw/zinc/70/81/83/573708183.db2.gz TXMUQFYTCWXVCY-LBPRGKRZSA-N 0 0 186.254 2.547 10 30 AFEERN COc1cc(C)cc(C)c1NCS 258888811 573708285 /nfs/dbraw/zinc/70/82/85/573708285.db2.gz JDHJWIIJRTXXMI-UHFFFAOYSA-N 0 0 197.303 2.611 10 30 AFEERN CC(C)C[C@H](C)[C@@H]1CCC[C@H](C=O)O1 308688505 573708430 /nfs/dbraw/zinc/70/84/30/573708430.db2.gz QNZQUVKYHNJNGI-TUAOUCFPSA-N 0 0 198.306 2.805 10 30 AFEERN C=C1CC[C@H]1[C@H]1CCCC(=O)C1 238012119 573708493 /nfs/dbraw/zinc/70/84/93/573708493.db2.gz KYBPKMFOVXZUSO-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cc(C#N)c(C(F)F)nc1C 238477269 573708516 /nfs/dbraw/zinc/70/85/16/573708516.db2.gz XIVSVZVLKCCQOL-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=CC[C@@H](O)c1ccc(Cl)o1 236535112 573708674 /nfs/dbraw/zinc/70/86/74/573708674.db2.gz ZGMBHBBEDBKOOL-ZCFIWIBFSA-N 0 0 172.611 2.543 10 30 AFEERN C=CCSCCc1ccc(N)cc1 393553617 573708864 /nfs/dbraw/zinc/70/88/64/573708864.db2.gz XYGPHDBUGASSJM-UHFFFAOYSA-N 0 0 193.315 2.731 10 30 AFEERN CC[C@H](C#N)N[C@@H]1CCCCC[C@@H]1C 83948958 573708894 /nfs/dbraw/zinc/70/88/94/573708894.db2.gz XSZMESUCCCDDGW-QJPTWQEYSA-N 0 0 194.322 2.847 10 30 AFEERN Nc1cccc2c(CS)csc12 257850793 573708897 /nfs/dbraw/zinc/70/88/97/573708897.db2.gz BOWHSMHWMGZDMX-UHFFFAOYSA-N 0 0 195.312 2.913 10 30 AFEERN CC[C@H](C#N)N[C@H]1CCCCC[C@@H]1C 83948960 573708955 /nfs/dbraw/zinc/70/89/55/573708955.db2.gz XSZMESUCCCDDGW-TUAOUCFPSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)C[C@H](C)[C@H]1CCC[C@@H](C=O)O1 308688493 573709040 /nfs/dbraw/zinc/70/90/40/573709040.db2.gz QNZQUVKYHNJNGI-SDDRHHMPSA-N 0 0 198.306 2.805 10 30 AFEERN C=C([C@H](O)C1(CC)CC1)C(F)(F)F 393553668 573709102 /nfs/dbraw/zinc/70/91/02/573709102.db2.gz YDYDEKNXENMROK-ZETCQYMHSA-N 0 0 194.196 2.656 10 30 AFEERN Cc1ccsc1[C@@H](CC#N)N(C)C 259559726 573709506 /nfs/dbraw/zinc/70/95/06/573709506.db2.gz ORUIMAYKVQJCGM-SECBINFHSA-N 0 0 194.303 2.573 10 30 AFEERN C=C1CC[C@H]1[C@@H]1CCCC(=O)C1 238012085 573709776 /nfs/dbraw/zinc/70/97/76/573709776.db2.gz KYBPKMFOVXZUSO-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN CSc1cccc([C@@](C)(F)C=O)c1 257850887 573709918 /nfs/dbraw/zinc/70/99/18/573709918.db2.gz MQJVNGNLCOCTFF-JTQLQIEISA-N 0 0 198.262 2.792 10 30 AFEERN C=C1CCCC[C@@]12CCCC2=O 238010435 573709945 /nfs/dbraw/zinc/70/99/45/573709945.db2.gz KCBHTRGONRGCFT-LLVKDONJSA-N 0 0 164.248 2.856 10 30 AFEERN Cc1ccc([C@H](C)CCC=O)c(O)c1 198510070 573709967 /nfs/dbraw/zinc/70/99/67/573709967.db2.gz IFTQZMDAOAASDM-SNVBAGLBSA-N 0 0 192.258 2.783 10 30 AFEERN CC(C)c1cc(O)cc(CC#N)c1 258101978 573710197 /nfs/dbraw/zinc/71/01/97/573710197.db2.gz XVLDWMBCHINDMO-UHFFFAOYSA-N 0 0 175.231 2.582 10 30 AFEERN C=C1CCCC[C@@H]1CCC=O 238010241 573710277 /nfs/dbraw/zinc/71/02/77/573710277.db2.gz VHNLTWFOWWICND-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN C=C1CCCC[C@@H]1C(=O)C1CC1 238010088 573710357 /nfs/dbraw/zinc/71/03/57/573710357.db2.gz VTIJCTVQBLWNOR-JTQLQIEISA-N 0 0 164.248 2.712 10 30 AFEERN C=CC(=O)[C@@H]1CCc2ccccc2C1 83944639 573710382 /nfs/dbraw/zinc/71/03/82/573710382.db2.gz TXMUQFYTCWXVCY-GFCCVEGCSA-N 0 0 186.254 2.547 10 30 AFEERN C=C1CCc2ccccc2NC1 238022923 573710427 /nfs/dbraw/zinc/71/04/27/573710427.db2.gz LAADYALKHAURGW-UHFFFAOYSA-N 0 0 159.232 2.601 10 30 AFEERN CSc1cccc([C@](C)(F)C=O)c1 257850888 573710525 /nfs/dbraw/zinc/71/05/25/573710525.db2.gz MQJVNGNLCOCTFF-SNVBAGLBSA-N 0 0 198.262 2.792 10 30 AFEERN Cc1c(F)cccc1C(C)(C)C#N 238492128 573712453 /nfs/dbraw/zinc/71/24/53/573712453.db2.gz LDZYCRPATSCGTH-UHFFFAOYSA-N 0 0 177.222 2.935 10 30 AFEERN C=C(C)[C@H]1CC(=O)C[C@@H](C)C1 238492263 573712821 /nfs/dbraw/zinc/71/28/21/573712821.db2.gz VRHFVOKFJLWHCA-DTWKUNHWSA-N 0 0 152.237 2.568 10 30 AFEERN C=C1CCC[C@@H]2CCC(=O)C[C@@H]12 238021249 573712875 /nfs/dbraw/zinc/71/28/75/573712875.db2.gz QMIMZXZCFIDHSG-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CCC[C@H]2CCC(=O)C[C@H]12 238021375 573713007 /nfs/dbraw/zinc/71/30/07/573713007.db2.gz QMIMZXZCFIDHSG-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)C(=O)c1ccccc1F 83962949 573713053 /nfs/dbraw/zinc/71/30/53/573713053.db2.gz JMNBXRNLOKCJSU-UHFFFAOYSA-N 0 0 164.179 2.585 10 30 AFEERN C=C1CCC[C@@H]2CCC(=O)C[C@H]12 238021211 573713067 /nfs/dbraw/zinc/71/30/67/573713067.db2.gz QMIMZXZCFIDHSG-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CCC[C@H]2CCC(=O)C[C@@H]12 238021407 573713130 /nfs/dbraw/zinc/71/31/30/573713130.db2.gz QMIMZXZCFIDHSG-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1c(F)cccc1C1(C#N)CC1 238492210 573713142 /nfs/dbraw/zinc/71/31/42/573713142.db2.gz DCBABGPXGRTEKW-UHFFFAOYSA-N 0 0 175.206 2.689 10 30 AFEERN C=C1CCC(=O)C[C@H]2CCC[C@@H]12 238020789 573713163 /nfs/dbraw/zinc/71/31/63/573713163.db2.gz OMYXIHRWFNZOHJ-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C(C)=O)C1C2CCC1CC2 238039682 573715570 /nfs/dbraw/zinc/71/55/70/573715570.db2.gz UZOQYVVADWNAEP-UHFFFAOYSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)C(=O)c1cccc(C)c1 83962846 573715766 /nfs/dbraw/zinc/71/57/66/573715766.db2.gz LFBMJXGILRKDHE-UHFFFAOYSA-N 0 0 160.216 2.754 10 30 AFEERN Cc1ccc(F)c2c1[C@H](C#N)CC2 238492887 573715656 /nfs/dbraw/zinc/71/56/56/573715656.db2.gz CWVVTDLGQMLPHX-QMMMGPOBSA-N 0 0 175.206 2.688 10 30 AFEERN CS[C@H](/C=C\C(C)=O)C(C)C 215324631 573715731 /nfs/dbraw/zinc/71/57/31/573715731.db2.gz JVAOULLDLVOARW-SSJHQANKSA-N 0 0 172.293 2.519 10 30 AFEERN C=C(C)[C@H]1CC[C@@H](C=O)[C@@H](C)C1 238492325 573715947 /nfs/dbraw/zinc/71/59/47/573715947.db2.gz UCGRWHUQOWGQBU-DCAQKATOSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC(=O)c1coc2ccccc12 83963528 573716026 /nfs/dbraw/zinc/71/60/26/573716026.db2.gz RIEGNWNSYOIJDK-UHFFFAOYSA-N 0 0 172.183 2.802 10 30 AFEERN C[C@H]1CCc2ccc(CCC=O)cc21 258098600 573716137 /nfs/dbraw/zinc/71/61/37/573716137.db2.gz OQGQADFEVZDVTE-JTQLQIEISA-N 0 0 188.270 2.868 10 30 AFEERN CCCCC(C(C)=O)=C1CC1 197522094 573717461 /nfs/dbraw/zinc/71/74/61/573717461.db2.gz PLDAJQPOSXMVQB-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN C=C[C@H](C#CC)[C@H]1CCCCC1=O 238039906 573716863 /nfs/dbraw/zinc/71/68/63/573716863.db2.gz ZPWFQAGDWCXYJO-GHMZBOCLSA-N 0 0 176.259 2.571 10 30 AFEERN Cc1nc2cc(C#N)c(F)cc2s1 238494236 573717030 /nfs/dbraw/zinc/71/70/30/573717030.db2.gz ALGNYQSVGDEZFQ-UHFFFAOYSA-N 0 0 192.218 2.616 10 30 AFEERN C=C[C@]1(C)C[C@@H](C)C[C@@H](C)C1=O 238494266 573717223 /nfs/dbraw/zinc/71/72/23/573717223.db2.gz VYSNRYRMCJYPJT-IQJOONFLSA-N 0 0 166.264 2.814 10 30 AFEERN CC#C[C@@H](C)Nc1ccccc1 238039412 573717243 /nfs/dbraw/zinc/71/72/43/573717243.db2.gz OXHPNXSRVCVLIV-SNVBAGLBSA-N 0 0 159.232 2.510 10 30 AFEERN Cc1ccc(F)c2c(CC#N)c[nH]c12 238494343 573717316 /nfs/dbraw/zinc/71/73/16/573717316.db2.gz XZFACCWXIHDRSA-UHFFFAOYSA-N 0 0 188.205 2.682 10 30 AFEERN C[C@@H]1CCc2ccc(CCC=O)cc21 258098604 573717530 /nfs/dbraw/zinc/71/75/30/573717530.db2.gz OQGQADFEVZDVTE-SNVBAGLBSA-N 0 0 188.270 2.868 10 30 AFEERN CSc1ccc(CCC=O)cc1C 258098619 573717547 /nfs/dbraw/zinc/71/75/47/573717547.db2.gz OQJNESATUNFBSW-UHFFFAOYSA-N 0 0 194.299 2.848 10 30 AFEERN C=CC#CC[C@@H](O)c1ccccc1C 238494777 573717606 /nfs/dbraw/zinc/71/76/06/573717606.db2.gz IJNFRLTXGDXQLF-CYBMUJFWSA-N 0 0 186.254 2.608 10 30 AFEERN Cc1nc2cc(C#N)cc(F)c2s1 238494323 573717739 /nfs/dbraw/zinc/71/77/39/573717739.db2.gz GJSGJVRDIUPXQQ-UHFFFAOYSA-N 0 0 192.218 2.616 10 30 AFEERN C=C1C(=O)CC[C@H]1c1ccccc1 197539373 573718156 /nfs/dbraw/zinc/71/81/56/573718156.db2.gz IOJJHGWUCUNJQH-LLVKDONJSA-N 0 0 172.227 2.689 10 30 AFEERN C=C1CC[C@@H]2C(=O)C[C@@H]3CCC[C@@]132 238028688 573718196 /nfs/dbraw/zinc/71/81/96/573718196.db2.gz ZTEQJKLNFVFMNC-HOSYDEDBSA-N 0 0 176.259 2.712 10 30 AFEERN C=C(C)CC(=O)C(C1CC1)C1CC1 393556065 573718266 /nfs/dbraw/zinc/71/82/66/573718266.db2.gz NPKHXFZUVQQKHX-UHFFFAOYSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@](F)(C=O)c1ccc(Cl)s1 257855905 573718460 /nfs/dbraw/zinc/71/84/60/573718460.db2.gz PXOXBNSYUWGLIV-SSDOTTSWSA-N 0 0 192.642 2.785 10 30 AFEERN C=C[C@@H](/C=C/C)NC(=O)OC(C)(C)C 238030144 573718665 /nfs/dbraw/zinc/71/86/65/573718665.db2.gz SHZZUGFCIJQAGN-ORZBULNSSA-N 0 0 197.278 2.642 10 30 AFEERN N#C[C@]12CCCC=C1CCC2 108281842 573718682 /nfs/dbraw/zinc/71/86/82/573718682.db2.gz XNXILWAJJGOWMT-SNVBAGLBSA-N 0 0 147.221 2.791 10 30 AFEERN C=C(C)C#C[C@@H](O)c1ccc(C)cc1 223305993 573718759 /nfs/dbraw/zinc/71/87/59/573718759.db2.gz QWBWVBUILKIOEO-CYBMUJFWSA-N 0 0 186.254 2.608 10 30 AFEERN C/C(=C\CCC#C[Si](C)(C)C)CO 238043314 573720346 /nfs/dbraw/zinc/72/03/46/573720346.db2.gz NBZSXGQNJPHSFL-DHZHZOJOSA-N 0 0 196.366 2.586 10 30 AFEERN C=C1CC[C@H]2C(=O)C[C@@H]3CCC[C@@]132 238028751 573719592 /nfs/dbraw/zinc/71/95/92/573719592.db2.gz ZTEQJKLNFVFMNC-JBLDHEPKSA-N 0 0 176.259 2.712 10 30 AFEERN CC#CCCC1=CC(=O)CC[C@H]1C 238028300 573719681 /nfs/dbraw/zinc/71/96/81/573719681.db2.gz RREGWKWXTZNJKW-SNVBAGLBSA-N 0 0 176.259 2.715 10 30 AFEERN C[C@@H](C=O)[C@H]1CCc2cc(F)ccc21 257856857 573719692 /nfs/dbraw/zinc/71/96/92/573719692.db2.gz QCHOKIURKQROPJ-GZMMTYOYSA-N 0 0 192.233 2.691 10 30 AFEERN C=C1C[C@]23CCC[C@H]2CC[C@@H]3C1=O 238029775 573719752 /nfs/dbraw/zinc/71/97/52/573719752.db2.gz DCSDLSPAQBJXNU-HOSYDEDBSA-N 0 0 176.259 2.712 10 30 AFEERN C[C@H](C=O)[C@@H]1CCc2cc(F)ccc21 257856859 573719780 /nfs/dbraw/zinc/71/97/80/573719780.db2.gz QCHOKIURKQROPJ-KCJUWKMLSA-N 0 0 192.233 2.691 10 30 AFEERN CC#CCCC1=CC(=O)CC[C@@H]1C 238028272 573719841 /nfs/dbraw/zinc/71/98/41/573719841.db2.gz RREGWKWXTZNJKW-JTQLQIEISA-N 0 0 176.259 2.715 10 30 AFEERN CC1(C)CSC[C@@](Cl)(C#N)C1 86978414 573719858 /nfs/dbraw/zinc/71/98/58/573719858.db2.gz HAFRBJNADOMNCN-QMMMGPOBSA-N 0 0 189.711 2.651 10 30 AFEERN C=C1C[C@@H]2CCC[C@]23CC[C@@H]3C1=O 238029051 573719872 /nfs/dbraw/zinc/71/98/72/573719872.db2.gz NCXJKPHXBDIOGT-UMNHJUIQSA-N 0 0 176.259 2.712 10 30 AFEERN CCc1ccc(C)cc1CCC=O 258105946 573720022 /nfs/dbraw/zinc/72/00/22/573720022.db2.gz YJYGSBMHNNRTLS-UHFFFAOYSA-N 0 0 176.259 2.689 10 30 AFEERN Cc1ccc(F)c2[nH]cc(CC#N)c12 238493916 573720224 /nfs/dbraw/zinc/72/02/24/573720224.db2.gz GUHYDIBOFKSOQP-UHFFFAOYSA-N 0 0 188.205 2.682 10 30 AFEERN C=C(C)c1ccccc1[C@H](O)C#CC 238042423 573720239 /nfs/dbraw/zinc/72/02/39/573720239.db2.gz CXZUFCISVZWCBT-CYBMUJFWSA-N 0 0 186.254 2.776 10 30 AFEERN CC1(C)CCSC[C@@]1(Cl)C#N 86973404 573720321 /nfs/dbraw/zinc/72/03/21/573720321.db2.gz MBXDOJVMGQOXIJ-QMMMGPOBSA-N 0 0 189.711 2.651 10 30 AFEERN O=C1C=CCC2(CCCCC2)C1 197520922 573720478 /nfs/dbraw/zinc/72/04/78/573720478.db2.gz OOCQAZITDZDUPD-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C[C@@H](C=O)[C@@H]1CCCc2ccccc21 257855897 573720511 /nfs/dbraw/zinc/72/05/11/573720511.db2.gz PXFNDYKBCKBEMK-JQWIXIFHSA-N 0 0 188.270 2.942 10 30 AFEERN Cc1cc(O)c2ccccc2c1C#N 238494072 573720675 /nfs/dbraw/zinc/72/06/75/573720675.db2.gz MLANJVMTVMHALD-UHFFFAOYSA-N 0 0 183.210 2.726 10 30 AFEERN C=C1[C@H](O)C=C(CCC)C1(C)C 223295970 573720686 /nfs/dbraw/zinc/72/06/86/573720686.db2.gz QZKRSQWWJAGYSY-SNVBAGLBSA-N 0 0 166.264 2.670 10 30 AFEERN C[C@H](C=O)[C@H]1CCc2cc(F)ccc21 257856862 573720700 /nfs/dbraw/zinc/72/07/00/573720700.db2.gz QCHOKIURKQROPJ-LDYMZIIASA-N 0 0 192.233 2.691 10 30 AFEERN C=CC(=O)[C@H]1CCCCCC1=C 238041964 573721526 /nfs/dbraw/zinc/72/15/26/573721526.db2.gz RBUYGYYGVAYNRP-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C/C=C/[C@@H]1[C@@H](C)CC[C@@H]1CC=O 238044585 573723208 /nfs/dbraw/zinc/72/32/08/573723208.db2.gz BFBQAKIDIKQURN-BJPDOBEOSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)CCCC[C@H](C)O 197539392 573721799 /nfs/dbraw/zinc/72/17/99/573721799.db2.gz OXJBYVYAHMTVPA-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN CC#C[C@@]1(C)C=CCC(C)(C)C1=O 238044629 573721851 /nfs/dbraw/zinc/72/18/51/573721851.db2.gz GIQOZDNRQNHFFG-LBPRGKRZSA-N 0 0 176.259 2.571 10 30 AFEERN C=C[C@H]1CC(=O)C[C@H](/C=C/C)C1 238041995 573721917 /nfs/dbraw/zinc/72/19/17/573721917.db2.gz VEIIHICOAZFQSQ-OTIHIVFHSA-N 0 0 164.248 2.734 10 30 AFEERN C=C1CCCC(C)(C)[C@]1(O)CC 142990367 573722057 /nfs/dbraw/zinc/72/20/57/573722057.db2.gz ZMCLFVWQTOPJQG-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C[C@@H](C=O)[C@H]1CCCc2ccccc21 257855895 573722062 /nfs/dbraw/zinc/72/20/62/573722062.db2.gz PXFNDYKBCKBEMK-CMPLNLGQSA-N 0 0 188.270 2.942 10 30 AFEERN Cc1cc2c(C#N)c(C)[nH]c2cc1F 238496330 573722127 /nfs/dbraw/zinc/72/21/27/573722127.db2.gz IAYVCLUUGOGPHG-UHFFFAOYSA-N 0 0 188.205 2.796 10 30 AFEERN CC#C[C@@H]1C(C)(C)CC(=O)C1(C)C 238042868 573723237 /nfs/dbraw/zinc/72/32/37/573723237.db2.gz CTRFHUYMXGAZKJ-SECBINFHSA-N 0 0 178.275 2.651 10 30 AFEERN C=C(C(C)=O)c1cc(C)c(O)cc1C 238042273 573722194 /nfs/dbraw/zinc/72/21/94/573722194.db2.gz FWEIQPUPBPUUHU-UHFFFAOYSA-N 0 0 190.242 2.611 10 30 AFEERN C[C@H](C=O)[C@H]1CCCc2ccccc21 257855899 573722264 /nfs/dbraw/zinc/72/22/64/573722264.db2.gz PXFNDYKBCKBEMK-ZYHUDNBSSA-N 0 0 188.270 2.942 10 30 AFEERN Cc1ccc(C/C=C\CC=O)cc1 258104779 573722603 /nfs/dbraw/zinc/72/26/03/573722603.db2.gz HIBBGGHILYGJAS-IHWYPQMZSA-N 0 0 174.243 2.683 10 30 AFEERN C=C/C=C/C(=O)CCCCC 143002505 573722668 /nfs/dbraw/zinc/72/26/68/573722668.db2.gz QVQUOSCLJISGOB-SOFGYWHQSA-N 0 0 152.237 2.878 10 30 AFEERN C=CC1=C2CCC(=O)C=C2CCC1 238044423 573723255 /nfs/dbraw/zinc/72/32/55/573723255.db2.gz CRPYJFWQKYYBSV-UHFFFAOYSA-N 0 0 174.243 2.942 10 30 AFEERN C[C@@H](CC=O)c1cccc2cnccc12 258105654 573723077 /nfs/dbraw/zinc/72/30/77/573723077.db2.gz KVSLNSCSLLQQIY-JTQLQIEISA-N 0 0 199.253 2.927 10 30 AFEERN C=C[C@@H]1CC(=O)C[C@H](/C=C/C)C1 238042380 573723131 /nfs/dbraw/zinc/72/31/31/573723131.db2.gz VEIIHICOAZFQSQ-AETUYUCGSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@H](CC=O)c1cccc2cnccc12 258105659 573723258 /nfs/dbraw/zinc/72/32/58/573723258.db2.gz KVSLNSCSLLQQIY-SNVBAGLBSA-N 0 0 199.253 2.927 10 30 AFEERN C=CC1=CC(=O)CCCCC1 238042975 573723320 /nfs/dbraw/zinc/72/33/20/573723320.db2.gz NUUALUMAXAWYRR-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC#C[C@H](O)/C=C/[C@@H]1CC=C(C)CC1 238047322 573724375 /nfs/dbraw/zinc/72/43/75/573724375.db2.gz LXONZFXUJFJLFT-GBYBRZQVSA-N 0 0 190.286 2.673 10 30 AFEERN CC#C[C@H](O)C1=C(C=C(C)C)CCC1 238047537 573724547 /nfs/dbraw/zinc/72/45/47/573724547.db2.gz RAMFEPVOZHEQQT-ZDUSSCGKSA-N 0 0 190.286 2.817 10 30 AFEERN CC1(C)CSC[C@](Cl)(C#N)C1 86978415 573724769 /nfs/dbraw/zinc/72/47/69/573724769.db2.gz HAFRBJNADOMNCN-MRVPVSSYSA-N 0 0 189.711 2.651 10 30 AFEERN C=C1CCCC(C)(C)[C@@]1(O)CC 142990548 573725624 /nfs/dbraw/zinc/72/56/24/573725624.db2.gz ZMCLFVWQTOPJQG-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=CCCOC1CCCC1 238059178 573725832 /nfs/dbraw/zinc/72/58/32/573725832.db2.gz FIICKPRMXPPNRT-UHFFFAOYSA-N 0 0 140.226 2.522 10 30 AFEERN C=CC[C@H](C)[C@@H](O)c1cc(C)ccn1 715005290 573726086 /nfs/dbraw/zinc/72/60/86/573726086.db2.gz MQNOCPDEJRTYFR-CMPLNLGQSA-N 0 0 191.274 2.636 10 30 AFEERN C=CCCC[C@H]1CCCOC1 238056900 573726212 /nfs/dbraw/zinc/72/62/12/573726212.db2.gz UGMKGTFKBUAQBB-JTQLQIEISA-N 0 0 154.253 2.769 10 30 AFEERN C[C@@H]1C=C[C@H]([C@H](C)CC=O)CC1 238485792 573726312 /nfs/dbraw/zinc/72/63/12/573726312.db2.gz QNOPEYBFROBYLR-MXWKQRLJSA-N 0 0 166.264 2.814 10 30 AFEERN COc1ccc([C@@H](C)CC=O)c(C)c1 258108771 573726349 /nfs/dbraw/zinc/72/63/49/573726349.db2.gz PMQXXBFZMVYJNI-VIFPVBQESA-N 0 0 192.258 2.696 10 30 AFEERN C=C(C)C#C[C@@H](O)c1ccccc1C 238056534 573726470 /nfs/dbraw/zinc/72/64/70/573726470.db2.gz HHIANINMCSSOPS-CYBMUJFWSA-N 0 0 186.254 2.608 10 30 AFEERN CC1=C([C@H]2CC[C@@H]2C)CCC1=O 238485903 573726696 /nfs/dbraw/zinc/72/66/96/573726696.db2.gz UVRBGBMHMNIFIG-CBAPKCEASA-N 0 0 164.248 2.712 10 30 AFEERN C=CCC(C)(C)[C@@H](O)C#CC(=C)C 238057107 573726803 /nfs/dbraw/zinc/72/68/03/573726803.db2.gz AXTKVJNPJJSDOW-NSHDSACASA-N 0 0 178.275 2.529 10 30 AFEERN C[C@@]1(CCC#N)CCCC[C@@H]1C=O 238487754 573727682 /nfs/dbraw/zinc/72/76/82/573727682.db2.gz RMMNIIKKPGOGNB-MNOVXSKESA-N 0 0 179.263 2.686 10 30 AFEERN Cc1sc2c(N)cccc2c1C#N 306696139 573727041 /nfs/dbraw/zinc/72/70/41/573727041.db2.gz WYHFWDBZYFDVBI-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=C(C)C(=C)CC1=C(O)CCC1=O 238058032 573727228 /nfs/dbraw/zinc/72/72/28/573727228.db2.gz HRROCMFUPQIEQY-UHFFFAOYSA-N 0 0 178.231 2.684 10 30 AFEERN C=C(C)C(=C)[C@@H](O)c1ccccc1 238058763 573727317 /nfs/dbraw/zinc/72/73/17/573727317.db2.gz OYZAOJYVWOPBCW-GFCCVEGCSA-N 0 0 174.243 2.852 10 30 AFEERN CC(=O)C1=C(C)CC[C@H]2[C@@H]1C2(C)C 238059159 573727474 /nfs/dbraw/zinc/72/74/74/573727474.db2.gz ONJVDPMRJBHSJR-ONGXEEELSA-N 0 0 178.275 2.958 10 30 AFEERN CC(=O)C1=C(C)C[C@H]2[C@@H]1C2(C)C 238059410 573727495 /nfs/dbraw/zinc/72/74/95/573727495.db2.gz WSZCLRLQEQTQBE-WPRPVWTQSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cc(C(C)(C)C#N)c(F)cc1N 238488597 573727552 /nfs/dbraw/zinc/72/75/52/573727552.db2.gz NGBGBKMGNRFJSP-UHFFFAOYSA-N 0 0 192.237 2.518 10 30 AFEERN C=CC(C)(C)C[C@H](O)C#CC(=C)C 238056326 573727592 /nfs/dbraw/zinc/72/75/92/573727592.db2.gz OQJBAISWWHBJEW-LLVKDONJSA-N 0 0 178.275 2.529 10 30 AFEERN C=C1CCCC(=O)[C@@H]2[C@@H](C)CC[C@@H]12 238488274 573728565 /nfs/dbraw/zinc/72/85/65/573728565.db2.gz BBTRVROKUMYTLP-JBLDHEPKSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@H](C)[C@H](O)c1cc(C)ccn1 715005292 573728568 /nfs/dbraw/zinc/72/85/68/573728568.db2.gz MQNOCPDEJRTYFR-JQWIXIFHSA-N 0 0 191.274 2.636 10 30 AFEERN CC(=O)C1=C(C)C[C@@H]2[C@H]1C2(C)C 238059334 573730288 /nfs/dbraw/zinc/73/02/88/573730288.db2.gz WSZCLRLQEQTQBE-PSASIEDQSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=CC(=O)C[C@@H]2[C@@H](C)CC[C@@H]12 238488409 573728943 /nfs/dbraw/zinc/72/89/43/573728943.db2.gz IDKWQNZMMPKMAH-BKDNQFJXSA-N 0 0 164.248 2.568 10 30 AFEERN C=C1CC(C)(C)C(C2CC2)=CC1=O 143040741 573728986 /nfs/dbraw/zinc/72/89/86/573728986.db2.gz XDEORWPTSGBWIT-UHFFFAOYSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H](C#N)NCC(C)(C)C1CCCC1 258892513 573729065 /nfs/dbraw/zinc/72/90/65/573729065.db2.gz WXMRWEOXIFCFEJ-JTQLQIEISA-N 0 0 194.322 2.704 10 30 AFEERN COCc1cccc(Cl)c1CC#N 258106383 573729151 /nfs/dbraw/zinc/72/91/51/573729151.db2.gz PGGBBKGDBVZLGX-UHFFFAOYSA-N 0 0 195.649 2.552 10 30 AFEERN COc1ccc([C@H](C)CC=O)c(C)c1 258108769 573729400 /nfs/dbraw/zinc/72/94/00/573729400.db2.gz PMQXXBFZMVYJNI-SECBINFHSA-N 0 0 192.258 2.696 10 30 AFEERN C[C@H]1CCCCC[C@@H](C=O)C1 238487928 573729441 /nfs/dbraw/zinc/72/94/41/573729441.db2.gz VZTKRTJCNKIOJW-VHSXEESVSA-N 0 0 154.253 2.792 10 30 AFEERN Cc1cc2cccc(CCC=O)c2o1 258106381 573729499 /nfs/dbraw/zinc/72/94/99/573729499.db2.gz PGFTZLUZDGRBQJ-UHFFFAOYSA-N 0 0 188.226 2.873 10 30 AFEERN C=CC(C)(C)C[C@@H](O)C#CC(=C)C 238057143 573729611 /nfs/dbraw/zinc/72/96/11/573729611.db2.gz OQJBAISWWHBJEW-NSHDSACASA-N 0 0 178.275 2.529 10 30 AFEERN C[C@H](C#N)NCC(C)(C)C1CCCC1 258892517 573729696 /nfs/dbraw/zinc/72/96/96/573729696.db2.gz WXMRWEOXIFCFEJ-SNVBAGLBSA-N 0 0 194.322 2.704 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)c1cc(C)ccn1 715005295 573729763 /nfs/dbraw/zinc/72/97/63/573729763.db2.gz MQNOCPDEJRTYFR-ZYHUDNBSSA-N 0 0 191.274 2.636 10 30 AFEERN CC(=O)C1=C(C(C)(C)C)C1(C)C 238058334 573729817 /nfs/dbraw/zinc/72/98/17/573729817.db2.gz XFAVDZUHZMRVJK-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN CSc1cc(CCC=O)ccc1C 258108521 573729821 /nfs/dbraw/zinc/72/98/21/573729821.db2.gz PIFZGLSSCFDUFT-UHFFFAOYSA-N 0 0 194.299 2.848 10 30 AFEERN C=C(CC=O)Cc1ccccc1F 258107103 573729892 /nfs/dbraw/zinc/72/98/92/573729892.db2.gz HLGWCLWAHLFISZ-UHFFFAOYSA-N 0 0 178.206 2.513 10 30 AFEERN CCCCc1ccc(C#N)c(=S)[nH]1 143067040 573729931 /nfs/dbraw/zinc/72/99/31/573729931.db2.gz CZVDBICWHJMCFU-UHFFFAOYSA-N 0 0 192.287 2.958 10 30 AFEERN C#CCC[C@H](O)[C@@H]1CCC[C@@H](C)C1 223355056 573730144 /nfs/dbraw/zinc/73/01/44/573730144.db2.gz LWUIVRMAIRHSQM-UTUOFQBUSA-N 0 0 180.291 2.587 10 30 AFEERN C=CCC[C@]1(C)[C@H]2CC[C@@H]1C(=O)C2 238488780 573734531 /nfs/dbraw/zinc/73/45/31/573734531.db2.gz XAYMOKCXQJUKJJ-HOSYDEDBSA-N 0 0 178.275 2.958 10 30 AFEERN N#Cc1c(F)cc(F)c2occc12 258112811 573734135 /nfs/dbraw/zinc/73/41/35/573734135.db2.gz ZEIMMFDLCNAIAJ-UHFFFAOYSA-N 0 0 179.125 2.583 10 30 AFEERN CC1=CC(=O)C[C@H]2[C@@H](C)CC[C@@H]12 238488991 573733155 /nfs/dbraw/zinc/73/31/55/573733155.db2.gz IDKWQNZMMPKMAH-SWPVVBRQSA-N 0 0 164.248 2.568 10 30 AFEERN CCSCc1nc(C)c(C#N)s1 82420270 573733157 /nfs/dbraw/zinc/73/31/57/573733157.db2.gz LNROVEGUJDXGMS-UHFFFAOYSA-N 0 0 198.316 2.576 10 30 AFEERN C[C@H]1CC[C@@](C)(C(O)=CC=O)C1(C)C 238489494 573733325 /nfs/dbraw/zinc/73/33/25/573733325.db2.gz ABJXZTBSLQZMFL-CABZTGNLSA-N 0 0 196.290 2.607 10 30 AFEERN C=C(C)C[C@H](NCCC)C(F)(F)F 130919178 573733571 /nfs/dbraw/zinc/73/35/71/573733571.db2.gz UYSNIYWUURHPPB-QMMMGPOBSA-N 0 0 195.228 2.883 10 30 AFEERN Cc1ccc([C@H](S)N(C)C)cc1C 259563932 573733678 /nfs/dbraw/zinc/73/36/78/573733678.db2.gz OWTIEZWBDATUIN-NSHDSACASA-N 0 0 195.331 2.793 10 30 AFEERN Cc1cc(C)c(C)c(NCC#N)c1C 258894703 573733802 /nfs/dbraw/zinc/73/38/02/573733802.db2.gz XESMSTCPCLOGMU-UHFFFAOYSA-N 0 0 188.274 2.856 10 30 AFEERN C=CCCC(O)(CC)CC 144769568 573733918 /nfs/dbraw/zinc/73/39/18/573733918.db2.gz PBSBQSCDSYVMFL-UHFFFAOYSA-N 0 0 142.242 2.504 10 30 AFEERN CC(=O)C(C)=C1C=C(C)OC(C)=C1 238051389 573733940 /nfs/dbraw/zinc/73/39/40/573733940.db2.gz FEVRRDTYZSYYGU-UHFFFAOYSA-N 0 0 178.231 2.730 10 30 AFEERN Cc1ccc([C@@H](S)N(C)C)cc1C 259563931 573734012 /nfs/dbraw/zinc/73/40/12/573734012.db2.gz OWTIEZWBDATUIN-LLVKDONJSA-N 0 0 195.331 2.793 10 30 AFEERN C[C@@H]1C[C@]2(C)CCCC2=CC1=O 238489752 573734523 /nfs/dbraw/zinc/73/45/23/573734523.db2.gz DQNOLAATCBXNIU-KCJUWKMLSA-N 0 0 164.248 2.712 10 30 AFEERN N#CCc1cccn1Cc1ccccc1 144781327 573734374 /nfs/dbraw/zinc/73/43/74/573734374.db2.gz SETWKPWDTMJORY-UHFFFAOYSA-N 0 0 196.253 2.602 10 30 AFEERN C/C=C/[C@H](C)/C=C(\C)CC=O 238051567 573734426 /nfs/dbraw/zinc/73/44/26/573734426.db2.gz CBYVAJHDLMPZSL-WNBMHFDQSA-N 0 0 152.237 2.734 10 30 AFEERN C=C[C@@]1(C)C(=O)[C@H](C)CC[C@@H]1C 223371124 573734555 /nfs/dbraw/zinc/73/45/55/573734555.db2.gz YAPOOORHBZTMHA-WCABBAIRSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@@]1(CCCC#N)CCCCC1=O 238489168 573734826 /nfs/dbraw/zinc/73/48/26/573734826.db2.gz BHCBCXMYMVVFKP-NSHDSACASA-N 0 0 179.263 2.830 10 30 AFEERN Cc1nc(CC(C)C)sc1C#N 82420566 573735989 /nfs/dbraw/zinc/73/59/89/573735989.db2.gz PWFXWXSWFKXXFN-UHFFFAOYSA-N 0 0 180.276 2.522 10 30 AFEERN Cc1cc(C(C)(C)C#N)cc(C)c1O 238488715 573735834 /nfs/dbraw/zinc/73/58/34/573735834.db2.gz NHQFFQPVBQWQPY-UHFFFAOYSA-N 0 0 189.258 2.810 10 30 AFEERN C=CCCCNC(=O)C[C@H](C)CC 393560973 573736824 /nfs/dbraw/zinc/73/68/24/573736824.db2.gz BTRLYKNALCRKRE-SNVBAGLBSA-N 0 0 183.295 2.505 10 30 AFEERN C/C=C/[C@@H](C#N)Nc1ccccc1 238053356 573736928 /nfs/dbraw/zinc/73/69/28/573736928.db2.gz YYUXLHYVRNGXRV-GSQGTZRGSA-N 0 0 172.231 2.567 10 30 AFEERN C=C[C@H](/C=C/C)NC(=O)OC(C)(C)C 238053175 573737036 /nfs/dbraw/zinc/73/70/36/573737036.db2.gz SHZZUGFCIJQAGN-BNICOGTQSA-N 0 0 197.278 2.642 10 30 AFEERN CCC[C@H]1CC(C)(C)C=CC1=O 143231447 573737069 /nfs/dbraw/zinc/73/70/69/573737069.db2.gz AVQLCCNXXBZMAZ-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@H](C)[C@H](O)[C@]12CCC[C@H]1C2 715007026 573737487 /nfs/dbraw/zinc/73/74/87/573737487.db2.gz ABSSKLMFZINZSP-BJDJZHNGSA-N 0 0 180.291 2.750 10 30 AFEERN N#C[C@H]1CCCCCCCCC1=O 223459323 573737611 /nfs/dbraw/zinc/73/76/11/573737611.db2.gz VRCFHGLJBSIDIW-SNVBAGLBSA-N 0 0 179.263 2.830 10 30 AFEERN c1cc([C@H]2CO2)ccc1C1CC1 87013595 573737790 /nfs/dbraw/zinc/73/77/90/573737790.db2.gz NNCMYYINOXGTPM-LLVKDONJSA-N 0 0 160.216 2.635 10 30 AFEERN N#CC[C@@H](O)c1cccc(C2CC2)c1 87014188 573737714 /nfs/dbraw/zinc/73/77/14/573737714.db2.gz QKLUWHSAYLDHFO-GFCCVEGCSA-N 0 0 187.242 2.511 10 30 AFEERN CC(=O)C1=C2CCC[C@@]2(C)CC1 238071872 573737792 /nfs/dbraw/zinc/73/77/92/573737792.db2.gz RCFWTYZEOBDRDJ-NSHDSACASA-N 0 0 164.248 2.856 10 30 AFEERN C=C1CCCCC[C@@H]1C(C)=O 238073459 573737763 /nfs/dbraw/zinc/73/77/63/573737763.db2.gz HSMOSUVUCKCIJI-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@H](C)[C@H](CC)[C@@H](C)O 715006689 573737803 /nfs/dbraw/zinc/73/78/03/573737803.db2.gz VHASKCUDPJKBDB-AEJSXWLSSA-N 0 0 156.269 2.606 10 30 AFEERN C=C(C)CC#C[C@@H](O)c1ccccc1 238075296 573737826 /nfs/dbraw/zinc/73/78/26/573737826.db2.gz JWAAQHBQZXYVMD-CYBMUJFWSA-N 0 0 186.254 2.690 10 30 AFEERN C/N=C(\SC)c1ccc(F)c(C)c1 259174119 573737842 /nfs/dbraw/zinc/73/78/42/573737842.db2.gz LUDPPOJLOGZJPD-BENRWUELSA-N 0 0 197.278 2.874 10 30 AFEERN C=CC[C@H](C)[C@H](CC)[C@H](C)O 715006712 573737999 /nfs/dbraw/zinc/73/79/99/573737999.db2.gz VHASKCUDPJKBDB-GUBZILKMSA-N 0 0 156.269 2.606 10 30 AFEERN CC[C@@H](C)[C@@H]1CCCC(C=O)=C1O 143251334 573738021 /nfs/dbraw/zinc/73/80/21/573738021.db2.gz HDCLBGUJJXHNSE-RXFWIBKSSA-N 0 0 182.263 2.844 10 30 AFEERN C=CC[C@H](C)[C@@H](CC)[C@H](C)O 715006723 573738023 /nfs/dbraw/zinc/73/80/23/573738023.db2.gz VHASKCUDPJKBDB-LPEHRKFASA-N 0 0 156.269 2.606 10 30 AFEERN C=C[C@@H]1CCCC/C1=C(\C)NC(C)=O 238071400 573738031 /nfs/dbraw/zinc/73/80/31/573738031.db2.gz SVXHYMSTUUSUSF-ZGSOTFDTSA-N 0 0 193.290 2.773 10 30 AFEERN O=C1CCC=C1C=C(Cl)Cl 238499883 573738038 /nfs/dbraw/zinc/73/80/38/573738038.db2.gz GNQUNEUXVFPPGD-UHFFFAOYSA-N 0 0 177.030 2.595 10 30 AFEERN Oc1cccc(/C=N/c2ccccn2)c1 308693693 573738052 /nfs/dbraw/zinc/73/80/52/573738052.db2.gz BQVDAKOGHPJWOX-NTEUORMPSA-N 0 0 198.225 2.538 10 30 AFEERN C=C(C)c1cc(Cl)cc(CON)c1 258113377 573738074 /nfs/dbraw/zinc/73/80/74/573738074.db2.gz PVEXCNZTCRKCKC-UHFFFAOYSA-N 0 0 197.665 2.763 10 30 AFEERN C/C=C1\C(=O)[C@H]2C[C@@H]([C@@H]1C)C2(C)C 238073392 573738166 /nfs/dbraw/zinc/73/81/66/573738166.db2.gz PMIFZMJPOWVSEX-FXEAOLECSA-N 0 0 178.275 2.814 10 30 AFEERN Cc1c(F)ccc(O)c1[C@H](C)CC=O 258113406 573738101 /nfs/dbraw/zinc/73/81/01/573738101.db2.gz PWFBIGXIHBXUQM-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN C[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C=O 238499882 573740932 /nfs/dbraw/zinc/74/09/32/573740932.db2.gz DSZYJSXTYCGXLM-KOLCDFICSA-N 0 0 194.661 2.817 10 30 AFEERN C=C1C[C@@H]1[C@H]1CCCC[C@@H]1C(C)=O 238074244 573741122 /nfs/dbraw/zinc/74/11/22/573741122.db2.gz LWYKEPHDOVFVBC-WOPDTQHZSA-N 0 0 178.275 2.958 10 30 AFEERN CC(=O)C1=C(c2ccccc2)CC1 238071497 573740986 /nfs/dbraw/zinc/74/09/86/573740986.db2.gz GRRPEPIUOZIWEL-UHFFFAOYSA-N 0 0 172.227 2.823 10 30 AFEERN COc1c(C)cc(C#N)cc1Cl 258115931 573739794 /nfs/dbraw/zinc/73/97/94/573739794.db2.gz QANVWNBLJFIZNC-UHFFFAOYSA-N 0 0 181.622 2.529 10 30 AFEERN N#CC[C@H](O)c1cccc(C2CC2)c1 87014190 573739808 /nfs/dbraw/zinc/73/98/08/573739808.db2.gz QKLUWHSAYLDHFO-LBPRGKRZSA-N 0 0 187.242 2.511 10 30 AFEERN C=C(C)C1=C[C@@H]2CCC[C@H](C1)C2=O 238073352 573739829 /nfs/dbraw/zinc/73/98/29/573739829.db2.gz QRCOGOHMKZWYAU-VHSXEESVSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCc1c(O)ccc2nc(C)oc12 238502250 573739846 /nfs/dbraw/zinc/73/98/46/573739846.db2.gz PCUSTXIUXVALGZ-UHFFFAOYSA-N 0 0 189.214 2.570 10 30 AFEERN CC(=O)C1=CC[C@@H]2CCC=C[C@]12C 238072404 573739890 /nfs/dbraw/zinc/73/98/90/573739890.db2.gz FWJDMJOZALMXPS-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@]12C=CCCC1=CC(=O)CC2 238502182 573739913 /nfs/dbraw/zinc/73/99/13/573739913.db2.gz PLDCWJOSCLOWDR-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN c1cc([C@@H]2CO2)ccc1C1CC1 87013592 573740041 /nfs/dbraw/zinc/74/00/41/573740041.db2.gz NNCMYYINOXGTPM-NSHDSACASA-N 0 0 160.216 2.635 10 30 AFEERN Cc1cc(C(F)F)c(C)nc1C#N 238500215 573740082 /nfs/dbraw/zinc/74/00/82/573740082.db2.gz UDVYBXZOKKLEFW-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=CCCC[C@@H](O)c1ccc(F)nc1 686124502 573740120 /nfs/dbraw/zinc/74/01/20/573740120.db2.gz YLPHNQUHNSUBFR-SNVBAGLBSA-N 0 0 195.237 2.610 10 30 AFEERN C[C@@]1(CC2CCCC2)CC[C@@H](C=O)O1 689854639 573740172 /nfs/dbraw/zinc/74/01/72/573740172.db2.gz JUQVSACDVQMVBI-RYUDHWBXSA-N 0 0 196.290 2.703 10 30 AFEERN CC(=O)C1=C2CCCC[C@H]2CC1 238071633 573741034 /nfs/dbraw/zinc/74/10/34/573741034.db2.gz SHJURGBKFRIEAS-VIFPVBQESA-N 0 0 164.248 2.856 10 30 AFEERN C=C(C)C1(C(C)=O)C2CCC1CC2 238071317 573740408 /nfs/dbraw/zinc/74/04/08/573740408.db2.gz GIAJFXYQRXXMEJ-UHFFFAOYSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@]1(c2ccc(Cl)cc2)C[C@H]1C=O 238499898 573740689 /nfs/dbraw/zinc/74/06/89/573740689.db2.gz DSZYJSXTYCGXLM-ONGXEEELSA-N 0 0 194.661 2.817 10 30 AFEERN Cc1cc(C(F)F)c(C)nc1CC#N 238500358 573740736 /nfs/dbraw/zinc/74/07/36/573740736.db2.gz GLGITYNDWWPFMI-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN C=CCCCNC(=O)C[C@@H](C)CC 393560971 573740760 /nfs/dbraw/zinc/74/07/60/573740760.db2.gz BTRLYKNALCRKRE-JTQLQIEISA-N 0 0 183.295 2.505 10 30 AFEERN Cc1c(F)ccc([C@@H](C)CC=O)c1F 258103780 573740922 /nfs/dbraw/zinc/74/09/22/573740922.db2.gz PBSPEVWZRXEBBS-ZETCQYMHSA-N 0 0 198.212 2.966 10 30 AFEERN CC(C)CCc1ccncc1C#N 259619367 573741049 /nfs/dbraw/zinc/74/10/49/573741049.db2.gz HUBJUJRVRJTJDJ-UHFFFAOYSA-N 0 0 174.247 2.542 10 30 AFEERN Cc1c(F)ccc([C@H](C)CC=O)c1F 258103779 573741116 /nfs/dbraw/zinc/74/11/16/573741116.db2.gz PBSPEVWZRXEBBS-SSDOTTSWSA-N 0 0 198.212 2.966 10 30 AFEERN Cc1cc(C(F)F)c(CC#N)nc1C 238502145 573741119 /nfs/dbraw/zinc/74/11/19/573741119.db2.gz QNJYNEJYOMPQPM-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CC(=O)C1=CC2(CCCCC2)C1 238072062 573741331 /nfs/dbraw/zinc/74/13/31/573741331.db2.gz PWUQLXJTPTUGGE-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN CCC[C@@H]1CC(C)(C)C=CC1=O 143231253 573741371 /nfs/dbraw/zinc/74/13/71/573741371.db2.gz AVQLCCNXXBZMAZ-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)C1=C2CCCC[C@@H]2CC1 238071597 573741621 /nfs/dbraw/zinc/74/16/21/573741621.db2.gz SHJURGBKFRIEAS-SECBINFHSA-N 0 0 164.248 2.856 10 30 AFEERN C=C[C@H](CC)OC(=O)CC1(C)CC1 308427458 573741635 /nfs/dbraw/zinc/74/16/35/573741635.db2.gz RTXFVCNPEQGTNF-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN CC(=O)C1=CC[C@@H]2CCC=C[C@@]12C 238072427 573741651 /nfs/dbraw/zinc/74/16/51/573741651.db2.gz FWJDMJOZALMXPS-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=C(C)C1=C[C@H]2CC[C@]1(C)CC2=O 238073589 573741665 /nfs/dbraw/zinc/74/16/65/573741665.db2.gz UJTXWZMPHPTODC-BXKDBHETSA-N 0 0 176.259 2.878 10 30 AFEERN CC[C@H](C)[C@@H]1CCCC(C=O)=C1O 143251743 573741800 /nfs/dbraw/zinc/74/18/00/573741800.db2.gz HDCLBGUJJXHNSE-CFHQGVHJSA-N 0 0 182.263 2.844 10 30 AFEERN C=C(C)C1=C[C@H]2CCC[C@@H](C1)C2=O 238073519 573741801 /nfs/dbraw/zinc/74/18/01/573741801.db2.gz QRCOGOHMKZWYAU-ZJUUUORDSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@H](CC)OC(=O)C1CCCC1 308428434 573741902 /nfs/dbraw/zinc/74/19/02/573741902.db2.gz SFKZHJQQGMVEOJ-JTQLQIEISA-N 0 0 182.263 2.684 10 30 AFEERN CCON=C1CCC[C@H]1CC 393668521 573741977 /nfs/dbraw/zinc/74/19/77/573741977.db2.gz HXPNAFRUCYSHGF-MRVPVSSYSA-N 0 0 155.241 2.589 10 30 AFEERN CCCCC(=O)[C@H](S)CCC 145410932 573742137 /nfs/dbraw/zinc/74/21/37/573742137.db2.gz YSPDTYGUKRLWHO-SECBINFHSA-N 0 0 174.309 2.844 10 30 AFEERN CCON=C1CCC[C@@H]1CC 393668523 573742209 /nfs/dbraw/zinc/74/22/09/573742209.db2.gz HXPNAFRUCYSHGF-QMMMGPOBSA-N 0 0 155.241 2.589 10 30 AFEERN N#CC[C@@H](O)c1ccccc1C1CC1 87015910 573742241 /nfs/dbraw/zinc/74/22/41/573742241.db2.gz YZBZOMBBPPKBCO-GFCCVEGCSA-N 0 0 187.242 2.511 10 30 AFEERN Cc1ccc(C2=CC(=O)CC2)s1 84020544 573742263 /nfs/dbraw/zinc/74/22/63/573742263.db2.gz BFNMZYBAKYLRRJ-UHFFFAOYSA-N 0 0 178.256 2.803 10 30 AFEERN C=C[C@@H]1CC(=O)C[C@@H](/C=C/C)C1 238062509 573744295 /nfs/dbraw/zinc/74/42/95/573744295.db2.gz VEIIHICOAZFQSQ-GMRPRLDHSA-N 0 0 164.248 2.734 10 30 AFEERN C[C@]1(CC2CCCC2)CC[C@H](C=O)O1 689854640 573743204 /nfs/dbraw/zinc/74/32/04/573743204.db2.gz JUQVSACDVQMVBI-VXGBXAGGSA-N 0 0 196.290 2.703 10 30 AFEERN C=CCNc1ccn2ccccc12 238075622 573743218 /nfs/dbraw/zinc/74/32/18/573743218.db2.gz VFMKZYMHCNOULS-UHFFFAOYSA-N 0 0 172.231 2.537 10 30 AFEERN CCc1ccsc1C(=O)[C@H](C)C#N 87017156 573743331 /nfs/dbraw/zinc/74/33/31/573743331.db2.gz UNJLAUFHARHOLI-SSDOTTSWSA-N 0 0 193.271 2.653 10 30 AFEERN CCCc1ccc(C[C@@H]2CO2)cc1 146107767 573743367 /nfs/dbraw/zinc/74/33/67/573743367.db2.gz ORALBXGQQPETFY-GFCCVEGCSA-N 0 0 176.259 2.580 10 30 AFEERN C=CC[C@H]1CCC[C@H](C(C)=O)C1 238075989 573743425 /nfs/dbraw/zinc/74/34/25/573743425.db2.gz MLJOSDDORYMQMM-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCCC[C@H](O)c1ccc(F)nc1 686124501 573743524 /nfs/dbraw/zinc/74/35/24/573743524.db2.gz YLPHNQUHNSUBFR-JTQLQIEISA-N 0 0 195.237 2.610 10 30 AFEERN Cc1ccsc1C1=CC(=O)CC1 87023033 573743553 /nfs/dbraw/zinc/74/35/53/573743553.db2.gz GNFOEYLOKMGYBF-UHFFFAOYSA-N 0 0 178.256 2.803 10 30 AFEERN C=C(C)C[C@@]1(F)CCCCC1=O 144875802 573743622 /nfs/dbraw/zinc/74/36/22/573743622.db2.gz PYYAVVQEZWHGGG-JTQLQIEISA-N 0 0 170.227 2.804 10 30 AFEERN C=C=CC(=O)c1cccc(C)c1 238501007 573743670 /nfs/dbraw/zinc/74/36/70/573743670.db2.gz ANPSLUVNFKJLHK-UHFFFAOYSA-N 0 0 158.200 2.519 10 30 AFEERN C=CCC[C@@H]1CC[C@@H]2CC(=O)C=C12 238061082 573743742 /nfs/dbraw/zinc/74/37/42/573743742.db2.gz SPXFEXXBQKDMMP-NXEZZACHSA-N 0 0 176.259 2.878 10 30 AFEERN N#Cc1ccc2c3c[nH]ccc-3nc2c1 259619483 573743770 /nfs/dbraw/zinc/74/37/70/573743770.db2.gz XLRHLDJYGSYRPY-UHFFFAOYSA-N 0 0 193.209 2.588 10 30 AFEERN C=CC[C@]1(C)CCC[C@@H]1C(C)=O 238075850 573743879 /nfs/dbraw/zinc/74/38/79/573743879.db2.gz YPEQJJWDVVKJLM-GHMZBOCLSA-N 0 0 166.264 2.958 10 30 AFEERN CO[C@@H](C#N)c1ccccc1C1CC1 87015777 573743885 /nfs/dbraw/zinc/74/38/85/573743885.db2.gz NYKQKCLNOUKMCW-LBPRGKRZSA-N 0 0 187.242 2.775 10 30 AFEERN CO[C@H](C#N)c1ccccc1C1CC1 87015779 573743938 /nfs/dbraw/zinc/74/39/38/573743938.db2.gz NYKQKCLNOUKMCW-GFCCVEGCSA-N 0 0 187.242 2.775 10 30 AFEERN C=C1C(=O)C=C[C@@]2(C)CC=CC[C@H]12 238500898 573743948 /nfs/dbraw/zinc/74/39/48/573743948.db2.gz WZBHJMZQLIRPDC-ZYHUDNBSSA-N 0 0 174.243 2.654 10 30 AFEERN CC(=O)C1=C(C)C[C@H]2CC[C@@H]3C[C@]123 238076603 573743977 /nfs/dbraw/zinc/74/39/77/573743977.db2.gz FNASMRLMODHGOQ-FOGDFJRCSA-N 0 0 176.259 2.712 10 30 AFEERN C/C=C/[C@H]1CCCC[C@H]1C=O 238061439 573744014 /nfs/dbraw/zinc/74/40/14/573744014.db2.gz JVOLAJKFKZOWPI-PSJTYZLDSA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C1/C(=O)C[C@H]2CCC=C[C@]12C 238076690 573744063 /nfs/dbraw/zinc/74/40/63/573744063.db2.gz XWMZAWAUQZNALF-GAOAYYAVSA-N 0 0 176.259 2.878 10 30 AFEERN C/C=C1/C(=O)C[C@H]2CCC=C[C@@]12C 238076718 573744094 /nfs/dbraw/zinc/74/40/94/573744094.db2.gz XWMZAWAUQZNALF-MXOHNYFXSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1C=CC[C@]2(C)CC(=O)CC[C@H]12 238500743 573744131 /nfs/dbraw/zinc/74/41/31/573744131.db2.gz PQXALZIBYPZUFF-VXGBXAGGSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccccc1-c1ncc(C#N)o1 238501025 573744178 /nfs/dbraw/zinc/74/41/78/573744178.db2.gz FYNWYGLYWDWGBE-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C=C1C(=O)C=C[C@@]2(C)CC=CC[C@@H]12 238501110 573744202 /nfs/dbraw/zinc/74/42/02/573744202.db2.gz WZBHJMZQLIRPDC-CMPLNLGQSA-N 0 0 174.243 2.654 10 30 AFEERN CC(=O)C1=C(Cl)CCCC1 238060863 573744223 /nfs/dbraw/zinc/74/42/23/573744223.db2.gz QJQRUNDSIGHXJR-UHFFFAOYSA-N 0 0 158.628 2.642 10 30 AFEERN CC(C)(C)C[C@@H]1CCC=CC1=O 238075980 573745130 /nfs/dbraw/zinc/74/51/30/573745130.db2.gz XONLIMCJUAFFBF-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN CC1=C(Cl)c2ccccc2C1=O 238501774 573745175 /nfs/dbraw/zinc/74/51/75/573745175.db2.gz OWOFNQZGIIWWCR-UHFFFAOYSA-N 0 0 178.618 2.853 10 30 AFEERN C=C[C@@H](C)[C@H](O)C/C(C)=C\C 238061254 573745147 /nfs/dbraw/zinc/74/51/47/573745147.db2.gz XMYDJHMXOAWMOW-MMIMJOASSA-N 0 0 154.253 2.526 10 30 AFEERN Cc1cnc(C(F)F)c(CC#N)c1C 238501887 573745107 /nfs/dbraw/zinc/74/51/07/573745107.db2.gz IHGKGYGFDPPUQV-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CC(C)CC[C@@]1(C)CC[C@@](C)(C=O)O1 308702493 573745108 /nfs/dbraw/zinc/74/51/08/573745108.db2.gz VJYMOAKPEXUOSE-RYUDHWBXSA-N 0 0 198.306 2.949 10 30 AFEERN C=CCC[C@@H]1CC[C@H]2CC(=O)C=C21 238061111 573746635 /nfs/dbraw/zinc/74/66/35/573746635.db2.gz SPXFEXXBQKDMMP-ZJUUUORDSA-N 0 0 176.259 2.878 10 30 AFEERN N#CCCCNc1c[nH]c2ccccc12 258899466 573746646 /nfs/dbraw/zinc/74/66/46/573746646.db2.gz KLTINFSPTJGRPW-UHFFFAOYSA-N 0 0 199.257 2.884 10 30 AFEERN CCOc1ccc([C@H]2O[C@H]2C)cc1 258902657 573746666 /nfs/dbraw/zinc/74/66/66/573746666.db2.gz VDNYEBBGRYPQQX-KWQFWETISA-N 0 0 178.231 2.545 10 30 AFEERN CC(=O)C1=C(C)C[C@@H]2CC[C@@H]3C[C@]123 238076540 573746696 /nfs/dbraw/zinc/74/66/96/573746696.db2.gz FNASMRLMODHGOQ-UMNHJUIQSA-N 0 0 176.259 2.712 10 30 AFEERN C/C=C1/C(=O)[C@@H]2CCC[C@@H]2C1(C)C 238076760 573746729 /nfs/dbraw/zinc/74/67/29/573746729.db2.gz PZBNFOARBQZUJH-OVGMLNDJSA-N 0 0 178.275 2.958 10 30 AFEERN C=CCC[C@@H]1CCC(=O)[C@@H]2C[C@H]12 238060545 573746817 /nfs/dbraw/zinc/74/68/17/573746817.db2.gz VHJQSAMYSZCHCL-OPRDCNLKSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)/C(F)=C/Cl 238071160 573746822 /nfs/dbraw/zinc/74/68/22/573746822.db2.gz SJEPGRCHPXLSRG-HYXAFXHYSA-N 0 0 120.554 2.612 10 30 AFEERN C[C@]12CC=CC=CC1=CC=CC2=O 238500825 573746856 /nfs/dbraw/zinc/74/68/56/573746856.db2.gz CSTBAYVDPWUNQK-LBPRGKRZSA-N 0 0 172.227 2.574 10 30 AFEERN C=CCN(CC)c1ccc(C=O)cc1 127035856 573746896 /nfs/dbraw/zinc/74/68/96/573746896.db2.gz QCBROYDZDCMNPW-UHFFFAOYSA-N 0 0 189.258 2.511 10 30 AFEERN CC(C)(C)CC[C@@]1(C)CC[C@@H](C=O)O1 308699510 573747021 /nfs/dbraw/zinc/74/70/21/573747021.db2.gz UNMMWWVWDJJXHL-CMPLNLGQSA-N 0 0 198.306 2.949 10 30 AFEERN C#C[C@]1(CCC=C)CCCC(=O)C1 238062236 573746951 /nfs/dbraw/zinc/74/69/51/573746951.db2.gz PBYPRRLDWSHEFS-LBPRGKRZSA-N 0 0 176.259 2.715 10 30 AFEERN C=C(C)C(=O)Nc1cc(C)ccc1C 238065661 573749838 /nfs/dbraw/zinc/74/98/38/573749838.db2.gz MHHPCTFPTLYYAL-UHFFFAOYSA-N 0 0 189.258 2.818 10 30 AFEERN C/C=C/[C@@]1(C)C=C(C(C)=O)CC1 238066132 573748497 /nfs/dbraw/zinc/74/84/97/573748497.db2.gz GKTXRGASANAXNX-DUMNWFOQSA-N 0 0 164.248 2.878 10 30 AFEERN C=CCC[C@H]1CC[C@@H]2CC(=O)C=C12 238063298 573748530 /nfs/dbraw/zinc/74/85/30/573748530.db2.gz SPXFEXXBQKDMMP-VHSXEESVSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCC[C@H]1CCSC1 238063268 573748893 /nfs/dbraw/zinc/74/88/93/573748893.db2.gz LGZGYEKUUNMLTL-QMMMGPOBSA-N 0 0 142.267 2.706 10 30 AFEERN C#C[C@@]1(CCC=C)CCCC(=O)C1 238064122 573749000 /nfs/dbraw/zinc/74/90/00/573749000.db2.gz PBYPRRLDWSHEFS-GFCCVEGCSA-N 0 0 176.259 2.715 10 30 AFEERN CSC1(C#N)CCC(C)CC1 84029398 573749108 /nfs/dbraw/zinc/74/91/08/573749108.db2.gz VBVGBMABCDFVTR-UHFFFAOYSA-N 0 0 169.293 2.822 10 30 AFEERN CC(=O)C1=CC[C@@H](C(C)(C)C)C1 238064794 573749124 /nfs/dbraw/zinc/74/91/24/573749124.db2.gz QYXBUZJDBSIVCH-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1nc(C(F)F)cc(C#N)c1C 238497065 573749125 /nfs/dbraw/zinc/74/91/25/573749125.db2.gz JKHBPDNHSSIVHH-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=CC[C@]1(C)C=C(C(C)=O)CC1 238066478 573749235 /nfs/dbraw/zinc/74/92/35/573749235.db2.gz UDPQPLXSDCWKMG-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN Cc1cc(C)c2c(N=[N+]=[N-])n[nH]c2n1 238497721 573749347 /nfs/dbraw/zinc/74/93/47/573749347.db2.gz JRYPQTHJELBELR-UHFFFAOYSA-N 0 0 188.194 2.517 10 30 AFEERN Cc1ccc(N(C)CC(C)(C)C#N)o1 258908978 573749480 /nfs/dbraw/zinc/74/94/80/573749480.db2.gz LYFAOARFXDGBMB-UHFFFAOYSA-N 0 0 192.262 2.574 10 30 AFEERN Cc1onc(-c2cccs2)c1C#N 238497414 573749597 /nfs/dbraw/zinc/74/95/97/573749597.db2.gz JPJXTTGFATUHPK-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C=CCOc1cc(C)c(O)c(C)c1C 238498058 573749604 /nfs/dbraw/zinc/74/96/04/573749604.db2.gz PTGPKUZXUKEDGN-UHFFFAOYSA-N 0 0 192.258 2.882 10 30 AFEERN C/C=C1/C(=O)[C@@H]2CCC[C@H]2C1(C)C 238076790 573749727 /nfs/dbraw/zinc/74/97/27/573749727.db2.gz PZBNFOARBQZUJH-SZGBIDFHSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@@]1(C)C=C(C(C)=O)CC1 238067071 573749734 /nfs/dbraw/zinc/74/97/34/573749734.db2.gz UDPQPLXSDCWKMG-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN C=C[C@@H]1COc2c1cc(O)c(C)c2C 238497843 573749763 /nfs/dbraw/zinc/74/97/63/573749763.db2.gz ZJTYDKJUXORZKN-SECBINFHSA-N 0 0 190.242 2.671 10 30 AFEERN Cc1cc2c(C)ccc(C#N)c2[nH]1 238498261 573751668 /nfs/dbraw/zinc/75/16/68/573751668.db2.gz MZJACSVMPVAQEF-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN C/C=C/[C@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C=O 238064893 573751575 /nfs/dbraw/zinc/75/15/75/573751575.db2.gz KRODXGPGTHLLRU-FGWGDBSZSA-N 0 0 190.286 2.980 10 30 AFEERN Cc1nc2cc(F)cc(C#N)c2s1 238496795 573751629 /nfs/dbraw/zinc/75/16/29/573751629.db2.gz WUWLUAWLHQWIQU-UHFFFAOYSA-N 0 0 192.218 2.616 10 30 AFEERN C=CCC[C@H]1CC[C@H]2CC(=O)C=C12 238063322 573751645 /nfs/dbraw/zinc/75/16/45/573751645.db2.gz SPXFEXXBQKDMMP-UWVGGRQHSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)c1ccc(NC[C@@H]2CO2)cc1 143355517 573751792 /nfs/dbraw/zinc/75/17/92/573751792.db2.gz UJUXECAJDBKVIT-GFCCVEGCSA-N 0 0 191.274 2.621 10 30 AFEERN C=CC[C@H](C)[C@@H](C(C)C)[C@@H](C)O 715007951 573752133 /nfs/dbraw/zinc/75/21/33/573752133.db2.gz ZLNLUADLZZVROS-HBNTYKKESA-N 0 0 170.296 2.852 10 30 AFEERN C=C(CC(C)=O)C[Si](C)(C)C 238079162 573752551 /nfs/dbraw/zinc/75/25/51/573752551.db2.gz NSIRITZNBYLHCF-UHFFFAOYSA-N 0 0 170.328 2.860 10 30 AFEERN Cc1ccc2c(c1)C[C@@H]([C@@H](C)C=O)C2 257865416 573752709 /nfs/dbraw/zinc/75/27/09/573752709.db2.gz RWQPBTUBBNXHLB-JQWIXIFHSA-N 0 0 188.270 2.545 10 30 AFEERN Cc1cc2c(CC#N)c[nH]c2cc1F 238499106 573752740 /nfs/dbraw/zinc/75/27/40/573752740.db2.gz IWZLAOLJTCJTRC-UHFFFAOYSA-N 0 0 188.205 2.682 10 30 AFEERN CC(=O)/C(C)=C/[C@@H]1CC=CCC1 143349502 573752811 /nfs/dbraw/zinc/75/28/11/573752811.db2.gz XXAKYUNRXXNGSF-ANYFNZRUSA-N 0 0 164.248 2.878 10 30 AFEERN C=C=C(C)C(=O)CCC(=C)C 238078677 573752891 /nfs/dbraw/zinc/75/28/91/573752891.db2.gz JBVCKGOZQHPXCW-UHFFFAOYSA-N 0 0 150.221 2.643 10 30 AFEERN CC(C)C1=Cc2ccccc2C1=O 143347785 573752908 /nfs/dbraw/zinc/75/29/08/573752908.db2.gz PPHYXVLFLUCCSP-UHFFFAOYSA-N 0 0 172.227 2.922 10 30 AFEERN C/C=C1\C(=O)C[C@H]2CCCC[C@H]12 238078629 573752914 /nfs/dbraw/zinc/75/29/14/573752914.db2.gz DAFBKMNLEZVASQ-QHQNWTHLSA-N 0 0 164.248 2.712 10 30 AFEERN C/C=C1\C(=O)C[C@H]2CCCC[C@@H]12 238078299 573753026 /nfs/dbraw/zinc/75/30/26/573753026.db2.gz DAFBKMNLEZVASQ-FUQWDDNXSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1cccc(-c2ncccc2C#N)c1 259176341 573753055 /nfs/dbraw/zinc/75/30/55/573753055.db2.gz LFLBVTVDHFAIHE-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN Cc1cc(SCCC#N)ccc1O 238505283 573759195 /nfs/dbraw/zinc/75/91/95/573759195.db2.gz XVIBFIQHMIJFSJ-UHFFFAOYSA-N 0 0 193.271 2.706 10 30 AFEERN C=C1CC[C@@]2(C)CCCC(=O)[C@@H]12 238506629 573757588 /nfs/dbraw/zinc/75/75/88/573757588.db2.gz AWGFEXXXHQTJHY-GHMZBOCLSA-N 0 0 164.248 2.712 10 30 AFEERN CC(C)(S)c1ccc(O)cc1 238098103 573757674 /nfs/dbraw/zinc/75/76/74/573757674.db2.gz YGAIJKBTNWOKNO-UHFFFAOYSA-N 0 0 168.261 2.557 10 30 AFEERN CC(C)Oc1cccc([C@H](F)C=O)c1 257866452 573757715 /nfs/dbraw/zinc/75/77/15/573757715.db2.gz SAKARJKEWXKQER-LLVKDONJSA-N 0 0 196.221 2.683 10 30 AFEERN CC(=O)C=C=C(C)c1ccccc1 238077611 573757750 /nfs/dbraw/zinc/75/77/50/573757750.db2.gz LJZAZQKELWQNSH-UHFFFAOYSA-N 0 0 172.227 2.834 10 30 AFEERN CC(=O)C=C1[C@@H]2CCCCC[C@@H]12 238077462 573757874 /nfs/dbraw/zinc/75/78/74/573757874.db2.gz XKAPSBOQZVQZNB-NXEZZACHSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc(F)c([C@@H](C)CC=O)c1O 258121178 573757974 /nfs/dbraw/zinc/75/79/74/573757974.db2.gz QPLSBWCSRPUFOL-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN C=CC[C@@H]1C[C@H](C(C)=O)C1(C)C 238080449 573758041 /nfs/dbraw/zinc/75/80/41/573758041.db2.gz OTIWWYMGHDZRLX-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1cc2cc(C#N)c(C)cc2[nH]1 238506006 573758087 /nfs/dbraw/zinc/75/80/87/573758087.db2.gz CJERJTPDPDWFBQ-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN Cc1ccc(N)c(C2(C#N)CCC2)c1 238506215 573758095 /nfs/dbraw/zinc/75/80/95/573758095.db2.gz AZNVNWJJYZJLIC-UHFFFAOYSA-N 0 0 186.258 2.523 10 30 AFEERN C=C[C@@H](O)c1sccc1CC 122508097 573758158 /nfs/dbraw/zinc/75/81/58/573758158.db2.gz KHDQUWCZKXLCNT-MRVPVSSYSA-N 0 0 168.261 2.530 10 30 AFEERN C=C1CCC[C@]2(C)CC[C@@H](C=O)[C@@H]12 238505802 573758367 /nfs/dbraw/zinc/75/83/67/573758367.db2.gz VHKBQEGOSCKASW-QJPTWQEYSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@]1(C#N)CCCC(=O)CC1 238098022 573758405 /nfs/dbraw/zinc/75/84/05/573758405.db2.gz ZDNYOXUZBIDVAB-NSHDSACASA-N 0 0 177.247 2.606 10 30 AFEERN CO[C@@H](C#N)c1cccc(C(F)F)c1 125049144 573758417 /nfs/dbraw/zinc/75/84/17/573758417.db2.gz YAZHLVXPYIHPLT-VIFPVBQESA-N 0 0 197.184 2.835 10 30 AFEERN C[C@@]12CC[C@H]3C[C@@]3(C)C1=CC(=O)C2 238506259 573758500 /nfs/dbraw/zinc/75/85/00/573758500.db2.gz JNNCGKKVJAPVHU-KPXOXKRLSA-N 0 0 176.259 2.712 10 30 AFEERN C/C=C1/C[C@H]2CCCC[C@H]2C1=O 238077905 573759900 /nfs/dbraw/zinc/75/99/00/573759900.db2.gz BCEYYASFDGJTLE-RKCQNCQWSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc(NCCC#N)c(C)c1C 258912439 573758651 /nfs/dbraw/zinc/75/86/51/573758651.db2.gz MHUNOZMNQYDZLW-UHFFFAOYSA-N 0 0 188.274 2.937 10 30 AFEERN C=C(C)COc1ccc(O)c(C)c1C 238091429 573758796 /nfs/dbraw/zinc/75/87/96/573758796.db2.gz FSHJBIJUPZFZNS-UHFFFAOYSA-N 0 0 192.258 2.964 10 30 AFEERN C=C(C)C[C@@H]1CCCCNC1=S 238097867 573758835 /nfs/dbraw/zinc/75/88/35/573758835.db2.gz ARGZMEZHTPNBEC-VIFPVBQESA-N 0 0 183.320 2.670 10 30 AFEERN O=C[C@@H]1CCCCC1(Cl)Cl 238506265 573758843 /nfs/dbraw/zinc/75/88/43/573758843.db2.gz KLRIITJXJUHUMO-LURJTMIESA-N 0 0 181.062 2.549 10 30 AFEERN C=CC[C@]12CCCC(=O)[C@@H]1CC2 238098301 573758844 /nfs/dbraw/zinc/75/88/44/573758844.db2.gz FSFOMJALTZCEGS-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(C)C[C@@H]1CCCC[C@@H]1C=O 238097911 573758855 /nfs/dbraw/zinc/75/88/55/573758855.db2.gz ZDODWNKSKVYDRM-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1C=C[C@H]2C(=O)CCC[C@]2(C)C1 238506182 573758895 /nfs/dbraw/zinc/75/88/95/573758895.db2.gz SGOUPOVBHMVGDD-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1ccc(Cl)cc1O[C@H](C)C#N 84058794 573758918 /nfs/dbraw/zinc/75/89/18/573758918.db2.gz KVYYSBWERWUIOZ-MRVPVSSYSA-N 0 0 195.649 2.939 10 30 AFEERN Cc1ccc(NCCS)c(C)c1C 258914995 573758966 /nfs/dbraw/zinc/75/89/66/573758966.db2.gz PSNBYAVSIFZXSO-UHFFFAOYSA-N 0 0 195.331 2.954 10 30 AFEERN CC(=O)C=C1CC(C(C)(C)C)C1 238077106 573759065 /nfs/dbraw/zinc/75/90/65/573759065.db2.gz IEJSWZYLOKDVHR-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN CC(=O)C=C1[C@H]2CCCCC[C@@H]12 238077521 573759116 /nfs/dbraw/zinc/75/91/16/573759116.db2.gz XKAPSBOQZVQZNB-AOOOYVTPSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@@H](C#N)C[NH2+]CC(C)(C)C(C)C 258915313 573759142 /nfs/dbraw/zinc/75/91/42/573759142.db2.gz GGDVXNHPRCCIQD-NSHDSACASA-N 0 0 196.338 2.808 10 30 AFEERN C/C=C1/C[C@H]2CCCC[C@@H]2C1=O 238077873 573759178 /nfs/dbraw/zinc/75/91/78/573759178.db2.gz BCEYYASFDGJTLE-SWBCUGJESA-N 0 0 164.248 2.712 10 30 AFEERN C/C=C1/C[C@@H]2CCCC[C@@H]2C1=O 238077818 573759403 /nfs/dbraw/zinc/75/94/03/573759403.db2.gz BCEYYASFDGJTLE-ANBKEZALSA-N 0 0 164.248 2.712 10 30 AFEERN CC(=O)C=C=Cc1ccc(C)cc1 238077862 573759430 /nfs/dbraw/zinc/75/94/30/573759430.db2.gz SSAYYTCXVOFOCG-UHFFFAOYSA-N 0 0 172.227 2.752 10 30 AFEERN CC(C)(S)Cc1ccco1 258912296 573759439 /nfs/dbraw/zinc/75/94/39/573759439.db2.gz VWCLMJLOFSLJDA-UHFFFAOYSA-N 0 0 156.250 2.531 10 30 AFEERN CC1=C2CCC[C@@H]2C[C@H](C)C1=O 224645429 573759488 /nfs/dbraw/zinc/75/94/88/573759488.db2.gz AYVISBTVNUCDJS-IONNQARKSA-N 0 0 164.248 2.712 10 30 AFEERN Cc1ccc(N(C)[C@H](C)C#N)cc1C 258909387 573759593 /nfs/dbraw/zinc/75/95/93/573759593.db2.gz YRRMYYPFTPKROG-LLVKDONJSA-N 0 0 188.274 2.652 10 30 AFEERN CC(C)(S)c1ccc(C#N)cc1 238097828 573759601 /nfs/dbraw/zinc/75/96/01/573759601.db2.gz BXDIHPKIORYYIP-UHFFFAOYSA-N 0 0 177.272 2.723 10 30 AFEERN O=C[C@H]1CCCCC1(Cl)Cl 238506246 573759633 /nfs/dbraw/zinc/75/96/33/573759633.db2.gz KLRIITJXJUHUMO-ZCFIWIBFSA-N 0 0 181.062 2.549 10 30 AFEERN CO[C@H](C#N)c1cccc(C(F)F)c1 125049354 573759642 /nfs/dbraw/zinc/75/96/42/573759642.db2.gz YAZHLVXPYIHPLT-SECBINFHSA-N 0 0 197.184 2.835 10 30 AFEERN CC(=O)C=C1[C@H]2CCCCC[C@H]12 238077490 573759724 /nfs/dbraw/zinc/75/97/24/573759724.db2.gz XKAPSBOQZVQZNB-UWVGGRQHSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=C2CCC[C@H]2C[C@@H](C)C1=O 224645303 573759742 /nfs/dbraw/zinc/75/97/42/573759742.db2.gz AYVISBTVNUCDJS-APPZFPTMSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1CC2 238506286 573759801 /nfs/dbraw/zinc/75/98/01/573759801.db2.gz HSIDSYMSGUUFRL-XRNSZHNASA-N 0 0 176.259 2.712 10 30 AFEERN Cc1ccc(N(C)[C@@H](C)C#N)cc1C 258909389 573759823 /nfs/dbraw/zinc/75/98/23/573759823.db2.gz YRRMYYPFTPKROG-NSHDSACASA-N 0 0 188.274 2.652 10 30 AFEERN C=C1CCC[C@H](C(C)(C)C)C1=O 238089983 573763083 /nfs/dbraw/zinc/76/30/83/573763083.db2.gz RQGPIFMATSTNPW-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CCC(C)=O)[Si](C)(C)C 238091026 573760805 /nfs/dbraw/zinc/76/08/05/573760805.db2.gz VQYKBAYDWGERJG-UHFFFAOYSA-N 0 0 170.328 2.789 10 30 AFEERN CSc1ccc(CCC=O)c(C)c1 258123788 573760954 /nfs/dbraw/zinc/76/09/54/573760954.db2.gz QTZBSSFXQGYSAV-UHFFFAOYSA-N 0 0 194.299 2.848 10 30 AFEERN C=C1C=C[C@@H]2C(=O)CCC[C@]2(C)C1 238506667 573760959 /nfs/dbraw/zinc/76/09/59/573760959.db2.gz SGOUPOVBHMVGDD-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN C=CC[C@@H]1CCCC[C@H]2C[C@@H]2C1=O 238089970 573760964 /nfs/dbraw/zinc/76/09/64/573760964.db2.gz NNWWUGCBKKUVCX-VWYCJHECSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)(C)[C@@H]1C=CC(=O)CCC1 238090073 573760999 /nfs/dbraw/zinc/76/09/99/573760999.db2.gz KWCVFLXSDFTKSA-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C[C@@H](S)C(C)(C)c1ccccc1N 258121826 573761396 /nfs/dbraw/zinc/76/13/96/573761396.db2.gz PNVMSBGSNVNOCB-MRVPVSSYSA-N 0 0 195.331 2.865 10 30 AFEERN C=C1C[C@H]1C(C)(C)CC(C)=O 238087051 573761272 /nfs/dbraw/zinc/76/12/72/573761272.db2.gz NCIQPIVLOJHSFU-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)CC1(C=O)CCCCCCC1 238088206 573763551 /nfs/dbraw/zinc/76/35/51/573763551.db2.gz AQLZBKVRRRYZLO-UHFFFAOYSA-N 0 0 196.290 2.895 10 30 AFEERN C=C1C[C@@H]1C(C)(C)CC(C)=O 238087079 573761782 /nfs/dbraw/zinc/76/17/82/573761782.db2.gz NCIQPIVLOJHSFU-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H](CC=O)c1cccc2ccncc12 258121756 573761837 /nfs/dbraw/zinc/76/18/37/573761837.db2.gz MIRCGLICWVINFK-JTQLQIEISA-N 0 0 199.253 2.927 10 30 AFEERN CCc1ccccc1NC(C)(C)C#N 258920161 573761879 /nfs/dbraw/zinc/76/18/79/573761879.db2.gz ILNVQHWUSDKIDX-UHFFFAOYSA-N 0 0 188.274 2.963 10 30 AFEERN C=CC[C@@H]1C[C@@H]2CCC[C@@H]2C1=O 238090558 573762057 /nfs/dbraw/zinc/76/20/57/573762057.db2.gz NGKCSIQBWYLPTF-AEJSXWLSSA-N 0 0 164.248 2.568 10 30 AFEERN C=CC[C@@H]1CCC[C@H]2C[C@@H]2C1=O 238090135 573762130 /nfs/dbraw/zinc/76/21/30/573762130.db2.gz RBXUSBLHXKKGCX-UTLUCORTSA-N 0 0 164.248 2.568 10 30 AFEERN C(#CC1CC1)c1ccc2[nH]ccc2c1 238089487 573762281 /nfs/dbraw/zinc/76/22/81/573762281.db2.gz FMMWDQBIONYBDG-UHFFFAOYSA-N 0 0 181.238 2.929 10 30 AFEERN C[C@]12CCCC=C1CC=CC2=O 238507343 573763598 /nfs/dbraw/zinc/76/35/98/573763598.db2.gz OCAPSABEDDIANO-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN Cc1cc(C)c(N[C@H](C)C#N)cc1C 258918871 573762829 /nfs/dbraw/zinc/76/28/29/573762829.db2.gz ZYLXCWSLOZFNCX-LLVKDONJSA-N 0 0 188.274 2.936 10 30 AFEERN C=CC[C@@H]1CCC(Cl)=CC1=O 238508378 573762859 /nfs/dbraw/zinc/76/28/59/573762859.db2.gz ARNWHDSZSKFPOH-SSDOTTSWSA-N 0 0 170.639 2.664 10 30 AFEERN CC(C)/C=C\C(=O)[C@H](C)CCCCO 221820266 573762929 /nfs/dbraw/zinc/76/29/29/573762929.db2.gz OJGFNXINDWTNRC-SKVAFPRGSA-N 0 0 198.306 2.566 10 30 AFEERN C=CC[C@@H]1CCC[C@@H]2C[C@@H]2C1=O 238090065 573762973 /nfs/dbraw/zinc/76/29/73/573762973.db2.gz RBXUSBLHXKKGCX-BBBLOLIVSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@@]12C=CC(=O)C(C=O)=C1CCCC2 238507267 573762991 /nfs/dbraw/zinc/76/29/91/573762991.db2.gz WNPOACVVHZKBKI-IDVQTMNDSA-N 0 0 190.242 2.684 10 30 AFEERN C=CC[C@@H]1CCCSC1 238087273 573762993 /nfs/dbraw/zinc/76/29/93/573762993.db2.gz MKYDRIHIJIYRCT-MRVPVSSYSA-N 0 0 142.267 2.706 10 30 AFEERN C=C[C@@H]1CC[C@@]2(C)CCCC(=O)[C@@H]12 238506935 573763009 /nfs/dbraw/zinc/76/30/09/573763009.db2.gz DDOAFUQIPAOYTJ-YUSALJHKSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cc(C)c(N[C@@H](C)C#N)cc1C 258918874 573763019 /nfs/dbraw/zinc/76/30/19/573763019.db2.gz ZYLXCWSLOZFNCX-NSHDSACASA-N 0 0 188.274 2.936 10 30 AFEERN CC(C)(C)[C@H]1CCC[C@@H](CC=O)O1 238091035 573763278 /nfs/dbraw/zinc/76/32/78/573763278.db2.gz DVGUJYJMCPBDHF-VHSXEESVSA-N 0 0 184.279 2.559 10 30 AFEERN COc1cccc(CC(C)(C)S)c1 258919162 573763364 /nfs/dbraw/zinc/76/33/64/573763364.db2.gz WJJNBCSINVJQEU-UHFFFAOYSA-N 0 0 196.315 2.946 10 30 AFEERN C=C[C@]12CCCC[C@@H]1C[C@@H]2C(C)=O 238092198 573766890 /nfs/dbraw/zinc/76/68/90/573766890.db2.gz GEXKUJAVAUQFRZ-UTUOFQBUSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1csc2c(CC=O)cccc12 258122828 573764599 /nfs/dbraw/zinc/76/45/99/573764599.db2.gz PGSWNOHEDVUMFN-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN CC(C)(C#N)C1CCSCC1 238090925 573764663 /nfs/dbraw/zinc/76/46/63/573764663.db2.gz BQGIECCBTDKTTK-UHFFFAOYSA-N 0 0 169.293 2.679 10 30 AFEERN Cc1ccc(N)c(C#CC(C)(C)C)c1 238508263 573764752 /nfs/dbraw/zinc/76/47/52/573764752.db2.gz OKKWILBTVAUBGJ-UHFFFAOYSA-N 0 0 187.286 2.975 10 30 AFEERN C=C(C)CNC(=S)c1ccccc1 238088966 573764967 /nfs/dbraw/zinc/76/49/67/573764967.db2.gz VIAUDXDJSVKZNF-UHFFFAOYSA-N 0 0 191.299 2.528 10 30 AFEERN C=CC[C@@H]1C[C@H]2CCC[C@@H]2C1=O 238090628 573764974 /nfs/dbraw/zinc/76/49/74/573764974.db2.gz NGKCSIQBWYLPTF-BBBLOLIVSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1cccc2[nH]c3cc(C#N)[nH]c3c12 259620343 573765054 /nfs/dbraw/zinc/76/50/54/573765054.db2.gz HFNHVZHENALTOU-UHFFFAOYSA-N 0 0 195.225 2.829 10 30 AFEERN C=CC[C@@H]1CCC[C@@H]1CC=O 238087354 573765101 /nfs/dbraw/zinc/76/51/01/573765101.db2.gz GPJGGRGOGWNBBT-NXEZZACHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@H]1CC[C@@]2(C)CCCC(=O)[C@@H]12 238506866 573765107 /nfs/dbraw/zinc/76/51/07/573765107.db2.gz DDOAFUQIPAOYTJ-MVWJERBFSA-N 0 0 178.275 2.958 10 30 AFEERN COc1c(C)cc(NCS)cc1C 258920978 573765183 /nfs/dbraw/zinc/76/51/83/573765183.db2.gz NOSACHXKPIPUFY-UHFFFAOYSA-N 0 0 197.303 2.611 10 30 AFEERN C[C@@]12C=CC(=O)C1=CCCCC2 238508057 573765444 /nfs/dbraw/zinc/76/54/44/573765444.db2.gz KPGNNDKLGWLQEJ-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN O=CC/C=C\c1ccc(Cl)o1 258123245 573765493 /nfs/dbraw/zinc/76/54/93/573765493.db2.gz INZYYCKMQXAKIU-IWQZZHSRSA-N 0 0 170.595 2.535 10 30 AFEERN CCN(CCS)c1ccc(C)cc1 87073005 573765568 /nfs/dbraw/zinc/76/55/68/573765568.db2.gz QHXAPHSTFMIGLF-UHFFFAOYSA-N 0 0 195.331 2.751 10 30 AFEERN C[C@H](S)C(C)(C)c1ccccc1N 258121828 573765575 /nfs/dbraw/zinc/76/55/75/573765575.db2.gz PNVMSBGSNVNOCB-QMMMGPOBSA-N 0 0 195.331 2.865 10 30 AFEERN C=C[C@]12CCCC[C@H]1C[C@@H]2C(C)=O 238091483 573765898 /nfs/dbraw/zinc/76/58/98/573765898.db2.gz GEXKUJAVAUQFRZ-TUAOUCFPSA-N 0 0 178.275 2.958 10 30 AFEERN C=CC[C@H]1CCC(Cl)=CC1=O 238508354 573765928 /nfs/dbraw/zinc/76/59/28/573765928.db2.gz ARNWHDSZSKFPOH-ZETCQYMHSA-N 0 0 170.639 2.664 10 30 AFEERN Cc1ccc([C@@H](O)CCS)c(C)c1 259178057 573765956 /nfs/dbraw/zinc/76/59/56/573765956.db2.gz OSUMJKGJEQYGQI-NSHDSACASA-N 0 0 196.315 2.657 10 30 AFEERN CC(C)(C)[C@H]1CC[C@](C#N)(CO)CC1 238093726 573766048 /nfs/dbraw/zinc/76/60/48/573766048.db2.gz SCFFNGHSOYKOTN-UMSPYCQHSA-N 0 0 195.306 2.725 10 30 AFEERN C[C@]12CCCC=C1C=CC(=O)C2 238507317 573766055 /nfs/dbraw/zinc/76/60/55/573766055.db2.gz QTHJSNPTUHTYSM-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN C=CC[C@@]1(C#N)CCCC(=O)CC1 238091592 573766916 /nfs/dbraw/zinc/76/69/16/573766916.db2.gz ZDNYOXUZBIDVAB-LLVKDONJSA-N 0 0 177.247 2.606 10 30 AFEERN C=C[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1O 238092300 573766102 /nfs/dbraw/zinc/76/61/02/573766102.db2.gz TWBHIBVVCKLFCV-VWYCJHECSA-N 0 0 182.307 2.996 10 30 AFEERN C=CC[C@@]12CCCC(=O)[C@@H]1CC2 238091986 573766268 /nfs/dbraw/zinc/76/62/68/573766268.db2.gz FSFOMJALTZCEGS-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1C(=O)C=C[C@@]2(C)CCCC[C@H]12 238508808 573767021 /nfs/dbraw/zinc/76/70/21/573767021.db2.gz OPLJAIPSAPUYNJ-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CCCC[C@H](C)N(C)C1=CC(=O)CC1 308711786 573767026 /nfs/dbraw/zinc/76/70/26/573767026.db2.gz ZHABPFZYXHHWGV-JTQLQIEISA-N 0 0 195.306 2.744 10 30 AFEERN Cc1ccc(N(C)CCS)c(C)c1 87073968 573766376 /nfs/dbraw/zinc/76/63/76/573766376.db2.gz WQPQMLDVHYWRHJ-UHFFFAOYSA-N 0 0 195.331 2.669 10 30 AFEERN C=CC[C@@]1(C=O)CCCCC1=C 238091703 573766426 /nfs/dbraw/zinc/76/64/26/573766426.db2.gz IPXKDMFJVMXGJZ-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN Cc1ccccc1N(C)CCCS 87073595 573766480 /nfs/dbraw/zinc/76/64/80/573766480.db2.gz VDZNYNIAXZUVMG-UHFFFAOYSA-N 0 0 195.331 2.751 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1ccc(F)cc1 258927947 573766604 /nfs/dbraw/zinc/76/66/04/573766604.db2.gz AEZNTAUBMNJCFA-QWRGUYRKSA-N 0 0 175.206 2.843 10 30 AFEERN COc1ccc(-c2[nH]ccc2C#N)cc1 259620473 573766690 /nfs/dbraw/zinc/76/66/90/573766690.db2.gz HGPULSZSZGQNHP-UHFFFAOYSA-N 0 0 198.225 2.562 10 30 AFEERN Cc1cccc2[nH]c(CS)cc12 257872087 573766838 /nfs/dbraw/zinc/76/68/38/573766838.db2.gz IHHCGLLCNXVEES-UHFFFAOYSA-N 0 0 177.272 2.906 10 30 AFEERN SCCOC1CCCCCC1 87081814 573769227 /nfs/dbraw/zinc/76/92/27/573769227.db2.gz XYOZGJPYTYBBEY-UHFFFAOYSA-N 0 0 174.309 2.656 10 30 AFEERN CC(C)(CS)COC(C)(C)C 87079944 573769251 /nfs/dbraw/zinc/76/92/51/573769251.db2.gz LIPLELOKXZDDSI-UHFFFAOYSA-N 0 0 176.325 2.758 10 30 AFEERN SCCOCC1CCCCC1 87080945 573769292 /nfs/dbraw/zinc/76/92/92/573769292.db2.gz MXXUHYGVJJUKFU-UHFFFAOYSA-N 0 0 174.309 2.513 10 30 AFEERN C[C@H]1CCCC[C@H]1OCCS 87079331 573768747 /nfs/dbraw/zinc/76/87/47/573768747.db2.gz VBHVLSJROLYPNI-DTWKUNHWSA-N 0 0 174.309 2.512 10 30 AFEERN Cc1ccc2[nH]c(N=[N+]=[N-])nc2c1 238509798 573768826 /nfs/dbraw/zinc/76/88/26/573768826.db2.gz LEEBWYVDOJAHQB-UHFFFAOYSA-N 0 0 173.179 2.813 10 30 AFEERN CC[C@@H](C)OCCCCS 87080731 573768902 /nfs/dbraw/zinc/76/89/02/573768902.db2.gz GNQVHPVHNYVPPA-MRVPVSSYSA-N 0 0 162.298 2.512 10 30 AFEERN C[C@H]1CCC[C@@H](OCCS)C1 87080095 573768910 /nfs/dbraw/zinc/76/89/10/573768910.db2.gz OBECOUHUWGYNSY-DTWKUNHWSA-N 0 0 174.309 2.512 10 30 AFEERN CC(C)(C#N)c1cc(F)cc(F)c1F 238096598 573768936 /nfs/dbraw/zinc/76/89/36/573768936.db2.gz GBRVKWKCOKOCTB-UHFFFAOYSA-N 0 0 199.175 2.905 10 30 AFEERN CCCCCOCCCCS 87080511 573769014 /nfs/dbraw/zinc/76/90/14/573769014.db2.gz PMQLSJFZPVUILT-UHFFFAOYSA-N 0 0 176.325 2.903 10 30 AFEERN CC(C)C[C@@]1(C)C[C@H]1C#N 258933781 573769028 /nfs/dbraw/zinc/76/90/28/573769028.db2.gz BEAQVFROTROADQ-IUCAKERBSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@]12CCCC[C@@H]1C(O)=C(C=O)CC2 238508830 573769164 /nfs/dbraw/zinc/76/91/64/573769164.db2.gz COAXMJSTRSKGHP-CHSRKAPTSA-N 0 0 194.274 2.988 10 30 AFEERN Cc1cc2ccc(C)c(C#N)c2[nH]1 238509500 573770044 /nfs/dbraw/zinc/77/00/44/573770044.db2.gz WVIBAURLGWEXPJ-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN C#CC#CCCCCCC 100076489 573770077 /nfs/dbraw/zinc/77/00/77/573770077.db2.gz TWNSNUSORGVGBI-UHFFFAOYSA-N 0 0 134.222 2.593 10 30 AFEERN C[C@H]1CCC[C@H](OCCS)C1 87080093 573770085 /nfs/dbraw/zinc/77/00/85/573770085.db2.gz OBECOUHUWGYNSY-IUCAKERBSA-N 0 0 174.309 2.512 10 30 AFEERN COCC1(CS)CCCCC1 87079094 573771422 /nfs/dbraw/zinc/77/14/22/573771422.db2.gz NBMWRNIDZORTJF-UHFFFAOYSA-N 0 0 174.309 2.513 10 30 AFEERN C=C[C@H]([NH3+])c1cc2cc(C)ccc2[nH]1 238510248 573771772 /nfs/dbraw/zinc/77/17/72/573771772.db2.gz CAGZTZRKAYAWFB-JTQLQIEISA-N 0 0 186.258 2.662 10 30 AFEERN COc1c(C)cc(Cl)c(F)c1C#N 258126729 573772348 /nfs/dbraw/zinc/77/23/48/573772348.db2.gz MPKMDRVXSUDJQS-UHFFFAOYSA-N 0 0 199.612 2.668 10 30 AFEERN CC(C)OCC1(CS)CCC1 87079507 573771152 /nfs/dbraw/zinc/77/11/52/573771152.db2.gz FJUVJBNREJEJDX-UHFFFAOYSA-N 0 0 174.309 2.512 10 30 AFEERN SCCCOC1CCCCC1 87078961 573771175 /nfs/dbraw/zinc/77/11/75/573771175.db2.gz PZJXUZREWMGCHH-UHFFFAOYSA-N 0 0 174.309 2.656 10 30 AFEERN COc1ccc(C)cc1SCC#N 259178530 573771227 /nfs/dbraw/zinc/77/12/27/573771227.db2.gz WZHBRJVOHZDLMJ-UHFFFAOYSA-N 0 0 193.271 2.619 10 30 AFEERN CC(C)(C=O)SNc1ccccc1 238099816 573771250 /nfs/dbraw/zinc/77/12/50/573771250.db2.gz JWBWFGJNOIAKPT-UHFFFAOYSA-N 0 0 195.287 2.724 10 30 AFEERN CC(C)(CS)COC1CCC1 87080854 573771351 /nfs/dbraw/zinc/77/13/51/573771351.db2.gz FAPITOBDMZICRH-UHFFFAOYSA-N 0 0 174.309 2.512 10 30 AFEERN Cc1ccc(-c2cc(C#N)no2)c(C)c1 259180318 573771395 /nfs/dbraw/zinc/77/13/95/573771395.db2.gz HEUFATAEHWGJQW-UHFFFAOYSA-N 0 0 198.225 2.830 10 30 AFEERN C=C(C)C[C@@]1(C)CCCC1=O 238100035 573771492 /nfs/dbraw/zinc/77/14/92/573771492.db2.gz JRGPHXKMHKXWLN-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cnc(C)c(C#N)c1C(F)F 238511809 573771493 /nfs/dbraw/zinc/77/14/93/573771493.db2.gz QGZXYFFQMRLOMC-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C[C@@H]1CC(OCCS)C[C@@H](C)C1 87082585 573771530 /nfs/dbraw/zinc/77/15/30/573771530.db2.gz WIKLALPNGJNBBI-IUCAKERBSA-N 0 0 188.336 2.758 10 30 AFEERN CCOCC1(CS)CCCC1 87079137 573771547 /nfs/dbraw/zinc/77/15/47/573771547.db2.gz YYPUBFNTZUSJRL-UHFFFAOYSA-N 0 0 174.309 2.513 10 30 AFEERN CC[C@H](C)OCCCCS 87080732 573771553 /nfs/dbraw/zinc/77/15/53/573771553.db2.gz GNQVHPVHNYVPPA-QMMMGPOBSA-N 0 0 162.298 2.512 10 30 AFEERN CC(C)c1nccn1C[C@@H](C)CS 87092047 573771569 /nfs/dbraw/zinc/77/15/69/573771569.db2.gz OSJTUSRTTHRQGF-SECBINFHSA-N 0 0 198.335 2.572 10 30 AFEERN CC(C)(C#N)c1ccccc1CC#N 238101846 573771571 /nfs/dbraw/zinc/77/15/71/573771571.db2.gz KEVONDDMBNBDRL-UHFFFAOYSA-N 0 0 184.242 2.554 10 30 AFEERN CCOCCCCCCS 87079128 573771604 /nfs/dbraw/zinc/77/16/04/573771604.db2.gz NHOFFWISBIZYOR-UHFFFAOYSA-N 0 0 162.298 2.513 10 30 AFEERN C=CC[C@H](C)[C@H](O)C[C@H]1C[C@H]1C1CC1 715010244 573771611 /nfs/dbraw/zinc/77/16/11/573771611.db2.gz MTJBRWHGXMOQSY-ZBAXXZLZSA-N 0 0 194.318 2.996 10 30 AFEERN C[C@@H]1CCCC[C@H]1OCCS 87079330 573771696 /nfs/dbraw/zinc/77/16/96/573771696.db2.gz VBHVLSJROLYPNI-RKDXNWHRSA-N 0 0 174.309 2.512 10 30 AFEERN SC/C=C/COCc1ccccc1 87079026 573771721 /nfs/dbraw/zinc/77/17/21/573771721.db2.gz CJHPRUKPCJZTIX-SNAWJCMRSA-N 0 0 194.299 2.689 10 30 AFEERN C[C@H]1C[C@@H](OCCS)CC[C@H]1C 87082304 573771732 /nfs/dbraw/zinc/77/17/32/573771732.db2.gz KDFNUCXAADPRNV-UTLUCORTSA-N 0 0 188.336 2.758 10 30 AFEERN SCCCOCc1ccccc1 87079012 573771739 /nfs/dbraw/zinc/77/17/39/573771739.db2.gz ZZSWEBSLXBXTEI-UHFFFAOYSA-N 0 0 182.288 2.523 10 30 AFEERN CC1CCC(OCCS)CC1 87079234 573771746 /nfs/dbraw/zinc/77/17/46/573771746.db2.gz AAOLCXWHMHGLRM-UHFFFAOYSA-N 0 0 174.309 2.512 10 30 AFEERN O=C[C@H]1CSc2ccc(Cl)cc21 258126998 573771844 /nfs/dbraw/zinc/77/18/44/573771844.db2.gz PLTVUSQFWCEBCI-LURJTMIESA-N 0 0 198.674 2.728 10 30 AFEERN Cc1cccc([C@@H]2SC=CC2=O)c1 238511842 573771899 /nfs/dbraw/zinc/77/18/99/573771899.db2.gz AXIWNOPRINFMHT-NSHDSACASA-N 0 0 190.267 2.866 10 30 AFEERN N#CC[C@@H](O)c1cccc(C(F)F)c1 125077761 573772268 /nfs/dbraw/zinc/77/22/68/573772268.db2.gz QQGKRUYPVYYOEM-SECBINFHSA-N 0 0 197.184 2.571 10 30 AFEERN C[C@H](CS)COCc1ccccc1 87079010 573771941 /nfs/dbraw/zinc/77/19/41/573771941.db2.gz ZCOGBSDEPCEBNP-JTQLQIEISA-N 0 0 196.315 2.769 10 30 AFEERN C[C@H]1CC(OCCS)C[C@H](C)C1 87082587 573771956 /nfs/dbraw/zinc/77/19/56/573771956.db2.gz WIKLALPNGJNBBI-RKDXNWHRSA-N 0 0 188.336 2.758 10 30 AFEERN N#Cc1cc(F)c(Cl)c(F)c1F 259567338 573772003 /nfs/dbraw/zinc/77/20/03/573772003.db2.gz VYJOZOBRJLKGQK-UHFFFAOYSA-N 0 0 191.539 2.629 10 30 AFEERN C=C1C(=O)C=C[C@@]2(C)CCCC[C@@H]12 238510654 573772063 /nfs/dbraw/zinc/77/20/63/573772063.db2.gz OPLJAIPSAPUYNJ-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN Cc1c(C#N)cccc1OC1CCC1 238510562 573772104 /nfs/dbraw/zinc/77/21/04/573772104.db2.gz ZKMBHQJONOXPIC-UHFFFAOYSA-N 0 0 187.242 2.798 10 30 AFEERN C=CC[C@H](C)[C@H](O)C[C@@H]1C[C@H]1C1CC1 715010242 573772146 /nfs/dbraw/zinc/77/21/46/573772146.db2.gz MTJBRWHGXMOQSY-XYJRDEOASA-N 0 0 194.318 2.996 10 30 AFEERN C=CCCCC(=O)c1ncccc1F 131136111 573772282 /nfs/dbraw/zinc/77/22/82/573772282.db2.gz QRAGQKXCHLFKRT-UHFFFAOYSA-N 0 0 193.221 2.760 10 30 AFEERN Fc1ccc2cc(CS)[nH]c2c1 258127830 573772293 /nfs/dbraw/zinc/77/22/93/573772293.db2.gz URZOTBRQUDWPOE-UHFFFAOYSA-N 0 0 181.235 2.737 10 30 AFEERN SCCCOCc1cccs1 87082168 573772322 /nfs/dbraw/zinc/77/23/22/573772322.db2.gz FNVZWJNUZWVKQK-UHFFFAOYSA-N 0 0 188.317 2.585 10 30 AFEERN SCCSc1cccs1 87096560 573774078 /nfs/dbraw/zinc/77/40/78/573774078.db2.gz NBFYDLYVRGZMAJ-UHFFFAOYSA-N 0 0 176.331 2.770 10 30 AFEERN CCC=CC(=O)Cc1cccc(F)c1 308435037 573774068 /nfs/dbraw/zinc/77/40/68/573774068.db2.gz LFSDBWVZODMXFU-CLTKARDFSA-N 0 0 192.233 2.904 10 30 AFEERN Fc1ccc(SCCS)cc1 87096068 573775785 /nfs/dbraw/zinc/77/57/85/573775785.db2.gz HTSIBGWAHJNXCJ-UHFFFAOYSA-N 0 0 188.292 2.848 10 30 AFEERN CSCC1(CS)CCCC1 87098394 573775803 /nfs/dbraw/zinc/77/58/03/573775803.db2.gz ODWZCENWCPYIBM-UHFFFAOYSA-N 0 0 176.350 2.840 10 30 AFEERN Cc1ccc([C@H](CC#N)N(C)C)cc1 259567749 573775833 /nfs/dbraw/zinc/77/58/33/573775833.db2.gz PBDPEDLQTUYXNV-LBPRGKRZSA-N 0 0 188.274 2.511 10 30 AFEERN C=CC[C@H](C)[C@H](O)C[C@@H]1C[C@@H]1C1CC1 715010235 573775769 /nfs/dbraw/zinc/77/57/69/573775769.db2.gz MTJBRWHGXMOQSY-FTYKPCCVSA-N 0 0 194.318 2.996 10 30 AFEERN CCC/C(=N/O)c1cc(C)ccc1O 100162582 573775908 /nfs/dbraw/zinc/77/59/08/573775908.db2.gz BIOLBRYOYWETIV-BENRWUELSA-N 0 0 193.246 2.679 10 30 AFEERN CSC[C@@H](CS)C(C)C 87098414 573775920 /nfs/dbraw/zinc/77/59/20/573775920.db2.gz TZKABOUSQMXTOE-SSDOTTSWSA-N 0 0 164.339 2.551 10 30 AFEERN C=CC[C@H](C)[C@H](O)C[C@H]1C[C@@H]1C1CC1 715010240 573775937 /nfs/dbraw/zinc/77/59/37/573775937.db2.gz MTJBRWHGXMOQSY-WKSBVSIWSA-N 0 0 194.318 2.996 10 30 AFEERN SCCCSc1nccs1 87098456 573776040 /nfs/dbraw/zinc/77/60/40/573776040.db2.gz JYUZZASOPUTNCU-UHFFFAOYSA-N 0 0 191.346 2.555 10 30 AFEERN SCCSC1CCCC1 87098615 573776066 /nfs/dbraw/zinc/77/60/66/573776066.db2.gz FPGDWONJRGVLGC-UHFFFAOYSA-N 0 0 162.323 2.592 10 30 AFEERN CC[C@H](C)SCCCS 87097171 573776093 /nfs/dbraw/zinc/77/60/93/573776093.db2.gz YNAWJEBPKRLHNZ-ZETCQYMHSA-N 0 0 164.339 2.838 10 30 AFEERN CSCC[C@@H](C)CCS 87098387 573776167 /nfs/dbraw/zinc/77/61/67/573776167.db2.gz WVMBBGKROMNRKO-ZETCQYMHSA-N 0 0 164.339 2.696 10 30 AFEERN CCSC[C@H](CS)C(C)C 87097222 573776200 /nfs/dbraw/zinc/77/62/00/573776200.db2.gz VLUNYYRIRWBJIR-QMMMGPOBSA-N 0 0 178.366 2.942 10 30 AFEERN CC(C)(C)[C@@]1(C)C=CC(=O)CC1 238107472 573777435 /nfs/dbraw/zinc/77/74/35/573777435.db2.gz CPVVWZDMVRUVKV-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H]1CC[C@@H]2C(=O)C=CC(=C)[C@@H]12 238108515 573777110 /nfs/dbraw/zinc/77/71/10/573777110.db2.gz KYXCROOVXAXOGN-FOGDFJRCSA-N 0 0 174.243 2.510 10 30 AFEERN C=C(C)Cc1ccc(F)cc1N 238107353 573777125 /nfs/dbraw/zinc/77/71/25/573777125.db2.gz JVMCKNNSGQCICL-UHFFFAOYSA-N 0 0 165.211 2.527 10 30 AFEERN CC(C)=C1CC=C(C(C)C)C1=O 238108127 573777267 /nfs/dbraw/zinc/77/72/67/573777267.db2.gz XACAUQANCUCADI-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN CCc1cc(O)cc([C@H](C)CC=O)c1 258118604 573777461 /nfs/dbraw/zinc/77/74/61/573777461.db2.gz QIAAUFQVTSWITA-SECBINFHSA-N 0 0 192.258 2.647 10 30 AFEERN C=C[C@@H]1CC[C@H]2C(=C)C=CC(=O)[C@@H]12 238108374 573777362 /nfs/dbraw/zinc/77/73/62/573777362.db2.gz FXFIZOLXGKKRPP-SCVCMEIPSA-N 0 0 174.243 2.510 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1cccc(F)c1 258935938 573777498 /nfs/dbraw/zinc/77/74/98/573777498.db2.gz BNOXCBUCRZTSBY-GHMZBOCLSA-N 0 0 175.206 2.843 10 30 AFEERN C=C[C@@H]1CCCCC(=O)CC1 238107462 573777501 /nfs/dbraw/zinc/77/75/01/573777501.db2.gz QKZZZNXTOSCSMQ-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)c1cccnc1C 715008408 573777533 /nfs/dbraw/zinc/77/75/33/573777533.db2.gz FDMBEBPQWYWIGX-BXKDBHETSA-N 0 0 191.274 2.636 10 30 AFEERN C=C(C)NC(=O)c1cccc(Cl)c1 238108905 573777575 /nfs/dbraw/zinc/77/75/75/573777575.db2.gz YTUKONURAGMTTM-UHFFFAOYSA-N 0 0 195.649 2.603 10 30 AFEERN Cc1c([C@@H]2CO2)oc2ccccc12 238512146 573777663 /nfs/dbraw/zinc/77/76/63/573777663.db2.gz PXIQMLSCPNHSTM-JTQLQIEISA-N 0 0 174.199 2.813 10 30 AFEERN C=C(C)Cc1cc(O)cc(C)c1O 238106889 573777721 /nfs/dbraw/zinc/77/77/21/573777721.db2.gz JNRXTLQASJEZJD-UHFFFAOYSA-N 0 0 178.231 2.525 10 30 AFEERN C=C[C@@H]1CC[C@H]2C(=O)C=CC(=C)[C@@H]12 238108348 573777793 /nfs/dbraw/zinc/77/77/93/573777793.db2.gz KYXCROOVXAXOGN-SCVCMEIPSA-N 0 0 174.243 2.510 10 30 AFEERN C=CC[C@H](C)[C@H](O)[C@@H](C)C1CC1 715011352 573777894 /nfs/dbraw/zinc/77/78/94/573777894.db2.gz TTYFCVFKKZWJIM-QXEWZRGKSA-N 0 0 168.280 2.606 10 30 AFEERN CCc1cc(O)cc([C@@H](C)CC=O)c1 258118606 573777948 /nfs/dbraw/zinc/77/79/48/573777948.db2.gz QIAAUFQVTSWITA-VIFPVBQESA-N 0 0 192.258 2.647 10 30 AFEERN CC(C)C1=CC[C@@H](C)[C@@H](C=O)C1 238109135 573777991 /nfs/dbraw/zinc/77/79/91/573777991.db2.gz GGJIEYUZCVGRFU-MWLCHTKSSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)Cc1ccc(C)cc1N 238107200 573779147 /nfs/dbraw/zinc/77/91/47/573779147.db2.gz JYYGYXXMEBUPMS-UHFFFAOYSA-N 0 0 161.248 2.696 10 30 AFEERN Cc1cnc(C)c(CC#N)c1C(F)F 238512862 573779166 /nfs/dbraw/zinc/77/91/66/573779166.db2.gz ZOBFXGVUXNBCRM-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN Cc1c([C@H]2CO2)oc2ccccc12 238513196 573779369 /nfs/dbraw/zinc/77/93/69/573779369.db2.gz PXIQMLSCPNHSTM-SNVBAGLBSA-N 0 0 174.199 2.813 10 30 AFEERN CC(C)/C=C/C=C/[C@H](C)C=O 238108540 573779388 /nfs/dbraw/zinc/77/93/88/573779388.db2.gz QIQWHSRUCPXNNT-RFPIMEFYSA-N 0 0 152.237 2.590 10 30 AFEERN N#CCc1ccc2cccc(O)c2c1 108369908 573779703 /nfs/dbraw/zinc/77/97/03/573779703.db2.gz CKWBPGGBVXRCFD-UHFFFAOYSA-N 0 0 183.210 2.611 10 30 AFEERN C=CC[C@@H](C)[C@H](O)c1cccnc1C 715008414 573779718 /nfs/dbraw/zinc/77/97/18/573779718.db2.gz FDMBEBPQWYWIGX-SKDRFNHKSA-N 0 0 191.274 2.636 10 30 AFEERN C=C(C)Cc1c(O)ccc(O)c1C 238106281 573779737 /nfs/dbraw/zinc/77/97/37/573779737.db2.gz OOSUKOSLTSZMBG-UHFFFAOYSA-N 0 0 178.231 2.525 10 30 AFEERN CC(=O)C1=C(O)C(C)(C)CCC1 100222160 573779822 /nfs/dbraw/zinc/77/98/22/573779822.db2.gz KVTCDUTUQWCEKR-BQYQJAHWSA-N 0 0 168.236 2.598 10 30 AFEERN N#CCC(F)(F)c1cccs1 258937728 573780008 /nfs/dbraw/zinc/78/00/08/573780008.db2.gz BXOSPFJTELLYEQ-UHFFFAOYSA-N 0 0 173.187 2.754 10 30 AFEERN C=C[C@@H]1CC[C@@H]2C(=C)C=CC(=O)[C@@H]12 238108541 573780324 /nfs/dbraw/zinc/78/03/24/573780324.db2.gz FXFIZOLXGKKRPP-FOGDFJRCSA-N 0 0 174.243 2.510 10 30 AFEERN CC(C)C1=CC(=O)C(C)(C)C1 238106830 573780362 /nfs/dbraw/zinc/78/03/62/573780362.db2.gz GQKGGGLKMRYODQ-UHFFFAOYSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)C=C(O)C=CC=C(C)C 100219989 573780523 /nfs/dbraw/zinc/78/05/23/573780523.db2.gz MMIQJWNHNFVCFI-KFUKRSJGSA-N 0 0 166.220 2.540 10 30 AFEERN Cc1cnc(C)c(C(F)F)c1CC#N 238512124 573780723 /nfs/dbraw/zinc/78/07/23/573780723.db2.gz CLKWACSDJMILSW-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN CC(C)CC(F)(F)CC#N 258939733 573780738 /nfs/dbraw/zinc/78/07/38/573780738.db2.gz CIERKSJNZVFIFZ-UHFFFAOYSA-N 0 0 147.168 2.581 10 30 AFEERN CC(C)/C=C/C=C/[C@@H](C)C=O 238108330 573780757 /nfs/dbraw/zinc/78/07/57/573780757.db2.gz QIQWHSRUCPXNNT-YZABNELQSA-N 0 0 152.237 2.590 10 30 AFEERN CC(=O)C=C(O)C=CC=C(C)C 100219990 573780833 /nfs/dbraw/zinc/78/08/33/573780833.db2.gz MMIQJWNHNFVCFI-JSRXJHBZSA-N 0 0 166.220 2.540 10 30 AFEERN Cc1csc2c1CC[C@H](C#N)C2 259570303 573782792 /nfs/dbraw/zinc/78/27/92/573782792.db2.gz DDCMLDZQWWWERI-QMMMGPOBSA-N 0 0 177.272 2.685 10 30 AFEERN CC(C)C1=C[C@H](C=O)[C@H](C)CC1 238111441 573782899 /nfs/dbraw/zinc/78/28/99/573782899.db2.gz GPCJKHUGSRBSLJ-MWLCHTKSSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)C1=C[C@@H](C=O)[C@@H](C)CC1 238110626 573782695 /nfs/dbraw/zinc/78/26/95/573782695.db2.gz GPCJKHUGSRBSLJ-ONGXEEELSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)C1=C[C@@H](C=O)[C@H](C)CC1 238110649 573782918 /nfs/dbraw/zinc/78/29/18/573782918.db2.gz GPCJKHUGSRBSLJ-KOLCDFICSA-N 0 0 166.264 2.814 10 30 AFEERN O=C[C@@H]1CCCc2ccc(Cl)cc21 108373978 573782988 /nfs/dbraw/zinc/78/29/88/573782988.db2.gz XRSOJZZONYPQBO-VIFPVBQESA-N 0 0 194.661 2.959 10 30 AFEERN C=C(c1ccccc1)C(C)(C)CO 238109649 573784553 /nfs/dbraw/zinc/78/45/53/573784553.db2.gz HYZUMVIDFNCSBW-UHFFFAOYSA-N 0 0 176.259 2.718 10 30 AFEERN CC(C)C1=CC[C@@H](C)[C@H](C=O)C1 238109162 573784880 /nfs/dbraw/zinc/78/48/80/573784880.db2.gz GGJIEYUZCVGRFU-KOLCDFICSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@]1(c2c[nH]c3ccccc23)C[C@H]1C#N 258947162 573785468 /nfs/dbraw/zinc/78/54/68/573785468.db2.gz DIMOEKZQTFSDIG-ZANVPECISA-N 0 0 196.253 2.969 10 30 AFEERN O=CC[C@@H]1CCCc2ccc(F)cc21 108373065 573785505 /nfs/dbraw/zinc/78/55/05/573785505.db2.gz HPIIZXHATOFFRF-JTQLQIEISA-N 0 0 192.233 2.835 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1CC1(C)C 308432533 573784599 /nfs/dbraw/zinc/78/45/99/573784599.db2.gz UNGFQOMENPYWNR-BDAKNGLRSA-N 0 0 182.263 2.540 10 30 AFEERN C=CCC[C@H](NN)C(C)(C)C(C)(C)C 308742047 573784678 /nfs/dbraw/zinc/78/46/78/573784678.db2.gz PKJHIXZPWGMQJY-JTQLQIEISA-N 0 0 198.354 2.857 10 30 AFEERN CC(C)=C(C)C(=O)C1CCC1 238110352 573784721 /nfs/dbraw/zinc/78/47/21/573784721.db2.gz HXGVOBFVJUSLRB-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H]1CC1(C)C 308432534 573784830 /nfs/dbraw/zinc/78/48/30/573784830.db2.gz UNGFQOMENPYWNR-IUCAKERBSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H]1C(=O)C2CCCC1CCC2 238112590 573784945 /nfs/dbraw/zinc/78/49/45/573784945.db2.gz HDIDKMFTBSJDOV-VQXHTEKXSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@H](C(=C)C)C(=O)C(=C)C 238111001 573785018 /nfs/dbraw/zinc/78/50/18/573785018.db2.gz PPTCSTJLHHXGRL-SECBINFHSA-N 0 0 150.221 2.510 10 30 AFEERN O=C[C@H]1CCCc2ccc(Cl)cc21 108373981 573785034 /nfs/dbraw/zinc/78/50/34/573785034.db2.gz XRSOJZZONYPQBO-SECBINFHSA-N 0 0 194.661 2.959 10 30 AFEERN C=C[C@@H]1C[C@H]1C(=O)C1CCCC1 238110245 573785060 /nfs/dbraw/zinc/78/50/60/573785060.db2.gz NRNDBVOKRNDXMD-PSASIEDQSA-N 0 0 164.248 2.568 10 30 AFEERN CC(C)C1=C[C@H](C=O)[C@@H](C)CC1 238111419 573785177 /nfs/dbraw/zinc/78/51/77/573785177.db2.gz GPCJKHUGSRBSLJ-GXSJLCMTSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1csc2c1CC[C@@H](C#N)C2 259570301 573785227 /nfs/dbraw/zinc/78/52/27/573785227.db2.gz DDCMLDZQWWWERI-MRVPVSSYSA-N 0 0 177.272 2.685 10 30 AFEERN C[C@H](CCS)CCOCC(F)F 131101174 573785261 /nfs/dbraw/zinc/78/52/61/573785261.db2.gz QYMWNHGXWCJABN-ZETCQYMHSA-N 0 0 198.278 2.614 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1cccs1 258946520 573785318 /nfs/dbraw/zinc/78/53/18/573785318.db2.gz DHKSYDDIHAAGET-VXNVDRBHSA-N 0 0 163.245 2.765 10 30 AFEERN C[C@@]1(c2c[nH]c3ccccc23)C[C@@H]1C#N 258947146 573785331 /nfs/dbraw/zinc/78/53/31/573785331.db2.gz DIMOEKZQTFSDIG-NOZJJQNGSA-N 0 0 196.253 2.969 10 30 AFEERN C=CC[C@H](C)[C@H](O)c1scnc1C 715011517 573785350 /nfs/dbraw/zinc/78/53/50/573785350.db2.gz ULXOACIDHDLKMT-CBAPKCEASA-N 0 0 197.303 2.697 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1cccs1 258946518 573785400 /nfs/dbraw/zinc/78/54/00/573785400.db2.gz DHKSYDDIHAAGET-IONNQARKSA-N 0 0 163.245 2.765 10 30 AFEERN C/C=C/C(=O)C=C1CCCC1 100243436 573785571 /nfs/dbraw/zinc/78/55/71/573785571.db2.gz JPZKSBOPZUUFRI-GORDUTHDSA-N 0 0 150.221 2.632 10 30 AFEERN Cc1ccc(-c2nc(C#N)cs2)o1 259186388 573785614 /nfs/dbraw/zinc/78/56/14/573785614.db2.gz GLULUUGOEFPSQO-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C=C[C@@H]1C[C@@H]1C(=O)C1CCCC1 238109243 573785630 /nfs/dbraw/zinc/78/56/30/573785630.db2.gz NRNDBVOKRNDXMD-SCZZXKLOSA-N 0 0 164.248 2.568 10 30 AFEERN C=CCCC(=O)C(C)=C(C)C 238110517 573785708 /nfs/dbraw/zinc/78/57/08/573785708.db2.gz MEEBFNJUQNDRPZ-UHFFFAOYSA-N 0 0 152.237 2.878 10 30 AFEERN Cc1nc(CS)[nH]c1C1CCCC1 258514568 573785849 /nfs/dbraw/zinc/78/58/49/573785849.db2.gz GGTOLAKLSBMPQL-UHFFFAOYSA-N 0 0 196.319 2.806 10 30 AFEERN Cc1ccsc1NCCCS 258947090 573786006 /nfs/dbraw/zinc/78/60/06/573786006.db2.gz UHQXLBJRINAKFO-UHFFFAOYSA-N 0 0 187.333 2.788 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1cccs1 258946513 573786015 /nfs/dbraw/zinc/78/60/15/573786015.db2.gz DHKSYDDIHAAGET-APPZFPTMSA-N 0 0 163.245 2.765 10 30 AFEERN Fc1cccc(SCCS)c1 87114903 573786069 /nfs/dbraw/zinc/78/60/69/573786069.db2.gz GXBLTIAESKAENB-UHFFFAOYSA-N 0 0 188.292 2.848 10 30 AFEERN CNN=C(CC(C)C)c1cccs1 308432509 573786075 /nfs/dbraw/zinc/78/60/75/573786075.db2.gz ULRCTRYPSXFFAT-UHFFFAOYSA-N 0 0 196.319 2.718 10 30 AFEERN CC=CC(=O)C=C1CCCC1 100242211 573786201 /nfs/dbraw/zinc/78/62/01/573786201.db2.gz UKZLFSPGDPKMOM-GORDUTHDSA-N 0 0 150.221 2.632 10 30 AFEERN CC(C)(C)C#C[C@H](O)[C@H]1CC=CCC1 238117153 573789505 /nfs/dbraw/zinc/78/95/05/573789505.db2.gz OENXJHXSUOGKDS-RYUDHWBXSA-N 0 0 192.302 2.753 10 30 AFEERN CC(C)=C1CC(C)(C)C/C1=N/O 100267022 573789514 /nfs/dbraw/zinc/78/95/14/573789514.db2.gz IGBNCNLEIQVAGX-LUAWRHEFSA-N 0 0 167.252 2.973 10 30 AFEERN CC(C)C1=C/C(=N/O)[C@@H](C)CC1 100267232 573787888 /nfs/dbraw/zinc/78/78/88/573787888.db2.gz JDRUHJWYXNXTIN-IZXMIOPHSA-N 0 0 167.252 2.829 10 30 AFEERN C=C[C@@H]1CC[C@@H]2CCC(=O)C[C@@H]12 238113738 573787903 /nfs/dbraw/zinc/78/79/03/573787903.db2.gz JKYXADGKXBPNAC-KKZNHRDASA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@H]1CSc2ccccc2N1 238114492 573787910 /nfs/dbraw/zinc/78/79/10/573787910.db2.gz HEWIIMBGQSTLDL-MRVPVSSYSA-N 0 0 177.272 2.759 10 30 AFEERN C[C@H](C#N)[C@H]1CCc2sccc21 259568416 573787937 /nfs/dbraw/zinc/78/79/37/573787937.db2.gz DBBBFXVKJPLAOT-HTQZYQBOSA-N 0 0 177.272 2.938 10 30 AFEERN CCCC(CCC)=NNCC1CC1 308433327 573788064 /nfs/dbraw/zinc/78/80/64/573788064.db2.gz UWORJIZVBMGFJS-UHFFFAOYSA-N 0 0 182.311 2.942 10 30 AFEERN C=C[C@@H]1CCC[C@H]2CCC(=O)[C@H]12 238113113 573788101 /nfs/dbraw/zinc/78/81/01/573788101.db2.gz MHEVBJUFVWCRAX-WCABBAIRSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=CC(=C(C)C)CC/C1=N/O 100266775 573788122 /nfs/dbraw/zinc/78/81/22/573788122.db2.gz BYNMXPBDIXCKGT-KHPPLWFESA-N 0 0 165.236 2.893 10 30 AFEERN Cc1ccc([C@H]2C[C@]2(C)C#N)o1 258942048 573788161 /nfs/dbraw/zinc/78/81/61/573788161.db2.gz CQMBXSYKJNGCQW-PSASIEDQSA-N 0 0 161.204 2.605 10 30 AFEERN C=C[C@@H]1C[C@@H]2CCCC(=O)[C@@H]2C1 238114799 573788176 /nfs/dbraw/zinc/78/81/76/573788176.db2.gz RSPARVOVRPCCNI-KXUCPTDWSA-N 0 0 164.248 2.568 10 30 AFEERN C[C@]12CCC[C@H]1C(=O)C1=C2CCC1 238518008 573788308 /nfs/dbraw/zinc/78/83/08/573788308.db2.gz AQRSUSVBZLXEHX-CMPLNLGQSA-N 0 0 176.259 2.856 10 30 AFEERN Cc1ccc([C@@H]2C[C@@]2(C)C#N)o1 258942058 573788347 /nfs/dbraw/zinc/78/83/47/573788347.db2.gz CQMBXSYKJNGCQW-WPRPVWTQSA-N 0 0 161.204 2.605 10 30 AFEERN Cc1ccc([C@@H]2C[C@]2(C)C#N)o1 258942054 573788424 /nfs/dbraw/zinc/78/84/24/573788424.db2.gz CQMBXSYKJNGCQW-WCBMZHEXSA-N 0 0 161.204 2.605 10 30 AFEERN C/C=C(C)/C=C\C(=O)C(C)C 213628799 573788491 /nfs/dbraw/zinc/78/84/91/573788491.db2.gz MPHVBMAQBZNZNF-QRLJIZSYSA-N 0 0 152.237 2.734 10 30 AFEERN O=C[C@@H](c1ccccc1)C1(Cl)CC1 238516939 573788604 /nfs/dbraw/zinc/78/86/04/573788604.db2.gz FSVLSVFIESOPFX-JTQLQIEISA-N 0 0 194.661 2.741 10 30 AFEERN C=C/C=C\C[C@@H]1CCCC(C=O)=C1O 308439965 573788628 /nfs/dbraw/zinc/78/86/28/573788628.db2.gz CAGVLPWYNYTXLH-KBHOQXTGSA-N 0 0 192.258 2.930 10 30 AFEERN CC(=O)/C=C/C(C)=C/c1ccc[nH]1 238114298 573788671 /nfs/dbraw/zinc/78/86/71/573788671.db2.gz CFAPSNVBQISWTH-HHWLVVFRSA-N 0 0 175.231 2.563 10 30 AFEERN C=CC[C@@H](O)/C=C/C(C)(C)C 238113639 573788700 /nfs/dbraw/zinc/78/87/00/573788700.db2.gz FIMYWTFMNPYMIN-FCZSHJHJSA-N 0 0 154.253 2.526 10 30 AFEERN CC(=O)/C=C/C(C)=C\c1ccc[nH]1 393562978 573788774 /nfs/dbraw/zinc/78/87/74/573788774.db2.gz CFAPSNVBQISWTH-NKEWZBFXSA-N 0 0 175.231 2.563 10 30 AFEERN C=C[C@@H]1C[C@@H]2C=CCCC(=O)[C@@H]2C1 238114707 573788813 /nfs/dbraw/zinc/78/88/13/573788813.db2.gz QPIOYSQXVQXKGT-OUAUKWLOSA-N 0 0 176.259 2.734 10 30 AFEERN C[C@@H](C#N)[C@H]1CCc2sccc21 259568421 573788832 /nfs/dbraw/zinc/78/88/32/573788832.db2.gz DBBBFXVKJPLAOT-JGVFFNPUSA-N 0 0 177.272 2.938 10 30 AFEERN C=C[C@@H]1CC[C@@H]2CCCC[C@@]12C=O 238113810 573788901 /nfs/dbraw/zinc/78/89/01/573788901.db2.gz SMUHXMMYOGPNHX-GRYCIOLGSA-N 0 0 178.275 2.958 10 30 AFEERN CC[C@@H](C)ON=C(C)c1ccco1 308439801 573788913 /nfs/dbraw/zinc/78/89/13/573788913.db2.gz YOKCWETTWHYCFD-MRVPVSSYSA-N 0 0 181.235 2.819 10 30 AFEERN CC1=CCC(=C(C)C)C/C1=N/O 100266786 573788921 /nfs/dbraw/zinc/78/89/21/573788921.db2.gz MZBUHDJZJZCLCS-KHPPLWFESA-N 0 0 165.236 2.893 10 30 AFEERN CC(=O)C=CNc1cccc(C)c1 238114948 573788994 /nfs/dbraw/zinc/78/89/94/573788994.db2.gz KPKCUEXVMDGFIU-VOTSOKGWSA-N 0 0 175.231 2.510 10 30 AFEERN Cc1cccc([C@H](F)C=O)c1C 258514887 573789015 /nfs/dbraw/zinc/78/90/15/573789015.db2.gz LSCQFQTYPBWSPF-SNVBAGLBSA-N 0 0 166.195 2.513 10 30 AFEERN C=C/C=C\C[C@@H]1CCCC(C=O)=C1O 308439966 573789201 /nfs/dbraw/zinc/78/92/01/573789201.db2.gz CAGVLPWYNYTXLH-ZYTQCBTKSA-N 0 0 192.258 2.930 10 30 AFEERN CC=CC(=O)Cc1cc(F)ccc1C 308433457 573789207 /nfs/dbraw/zinc/78/92/07/573789207.db2.gz IKARUKSJLVEQTN-ARJAWSKDSA-N 0 0 192.233 2.822 10 30 AFEERN Cc1cnc(CC#N)c2c(C)coc12 238516825 573789357 /nfs/dbraw/zinc/78/93/57/573789357.db2.gz KNDJVYFNIVOYTO-UHFFFAOYSA-N 0 0 186.214 2.511 10 30 AFEERN C=CC[C@@H](C)CC[C@@H](O)C1CC1 715010750 573789317 /nfs/dbraw/zinc/78/93/17/573789317.db2.gz PXGZESBVXALLOH-MWLCHTKSSA-N 0 0 168.280 2.750 10 30 AFEERN C=CCC[C@@H](CCC)Nc1c[nH]cn1 308723563 573789368 /nfs/dbraw/zinc/78/93/68/573789368.db2.gz FKNJCFYBOUVTPI-SNVBAGLBSA-N 0 0 193.294 2.957 10 30 AFEERN CC(C)(F)[C@H](CC#N)C1CC1 258514907 573789374 /nfs/dbraw/zinc/78/93/74/573789374.db2.gz LSHHSEPZWHRCBD-MRVPVSSYSA-N 0 0 155.216 2.674 10 30 AFEERN C[C@@H](C=O)[C@H](C)/C=C/c1ccco1 221886744 573789375 /nfs/dbraw/zinc/78/93/75/573789375.db2.gz ZXLVTPNVCGMODK-ROSGPLSXSA-N 0 0 178.231 2.764 10 30 AFEERN Cc1cc(C)c(C)c(C(=O)C#N)c1C 259188455 573789376 /nfs/dbraw/zinc/78/93/76/573789376.db2.gz NQTBGZQVGYDCPQ-UHFFFAOYSA-N 0 0 187.242 2.627 10 30 AFEERN CC(=O)/C=C\[C@H]1CCC1(C)C 215379654 573789616 /nfs/dbraw/zinc/78/96/16/573789616.db2.gz HTLAJCAGSLWZJN-WBSSQXGSSA-N 0 0 152.237 2.568 10 30 AFEERN CC(=O)/C=C\[C@@H]1CCC1(C)C 215379605 573790688 /nfs/dbraw/zinc/79/06/88/573790688.db2.gz HTLAJCAGSLWZJN-XRVBUDJMSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)(C)C#C[C@H](O)C1=CCCCC1 238117071 573789709 /nfs/dbraw/zinc/78/97/09/573789709.db2.gz JXJXYSVWCKCXFW-LBPRGKRZSA-N 0 0 192.302 2.897 10 30 AFEERN C=CCC(C)(C)[C@@H](O)C#CC(C)(C)C 238117007 573789733 /nfs/dbraw/zinc/78/97/33/573789733.db2.gz KTACFTRJRQAKMP-NSHDSACASA-N 0 0 194.318 2.999 10 30 AFEERN CC(C)C1=C/C(=N/O)[C@H](C)CC1 100267227 573789759 /nfs/dbraw/zinc/78/97/59/573789759.db2.gz JDRUHJWYXNXTIN-OZEWEUHLSA-N 0 0 167.252 2.829 10 30 AFEERN O=C1CC(c2ccccc2)=C1Cl 238517460 573789908 /nfs/dbraw/zinc/78/99/08/573789908.db2.gz CHPDTFZQMXJOAP-UHFFFAOYSA-N 0 0 178.618 2.609 10 30 AFEERN CC1=CC(=O)[C@H](CCC(C)C)C1 238116798 573789913 /nfs/dbraw/zinc/78/99/13/573789913.db2.gz WAOFUXLQHKFDGA-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C)C#C[C@@H](O)[C@H]1CC=CCC1 238116362 573789953 /nfs/dbraw/zinc/78/99/53/573789953.db2.gz OENXJHXSUOGKDS-NWDGAFQWSA-N 0 0 192.302 2.753 10 30 AFEERN CO[C@H](C(=O)C=C(C)C)C(C)(C)C 132208318 573790059 /nfs/dbraw/zinc/79/00/59/573790059.db2.gz UJXFRIKHBZETBE-SNVBAGLBSA-N 0 0 184.279 2.583 10 30 AFEERN CSc1ccc(N(C)CS)cc1 258948109 573790185 /nfs/dbraw/zinc/79/01/85/573790185.db2.gz RFALOJBEJBDLRU-UHFFFAOYSA-N 0 0 199.344 2.732 10 30 AFEERN CC=CC(=O)Cc1cc(F)cc(F)c1 308434602 573790196 /nfs/dbraw/zinc/79/01/96/573790196.db2.gz KMRHVMXJXMUDSC-IHWYPQMZSA-N 0 0 196.196 2.653 10 30 AFEERN CC(C)(C)C#C[C@@H](O)[C@@H]1CC=CCC1 238116396 573790253 /nfs/dbraw/zinc/79/02/53/573790253.db2.gz OENXJHXSUOGKDS-VXGBXAGGSA-N 0 0 192.302 2.753 10 30 AFEERN Cc1nc2cc(C)c(C#N)cc2s1 238517175 573790361 /nfs/dbraw/zinc/79/03/61/573790361.db2.gz PSRQMBYGUZYALX-UHFFFAOYSA-N 0 0 188.255 2.785 10 30 AFEERN C=CC[C@H](C)C1(CO)CC(F)(F)C1 715010775 573790362 /nfs/dbraw/zinc/79/03/62/573790362.db2.gz QCKFZJGBPQLRMF-QMMMGPOBSA-N 0 0 190.233 2.606 10 30 AFEERN C=CC[C@](C)(CO)c1cccc(C)c1 308440030 573790411 /nfs/dbraw/zinc/79/04/11/573790411.db2.gz CQZXXNGEVBCWOQ-CYBMUJFWSA-N 0 0 190.286 2.821 10 30 AFEERN C=C[C@H](CC)OC(=O)C=C1CCC1 308440231 573790447 /nfs/dbraw/zinc/79/04/47/573790447.db2.gz YQLUWCOEAJBFJR-SNVBAGLBSA-N 0 0 180.247 2.605 10 30 AFEERN Cc1ccc2c(CC#N)c[nH]c2c1F 238518109 573790533 /nfs/dbraw/zinc/79/05/33/573790533.db2.gz HVGIKHUDBLXASN-UHFFFAOYSA-N 0 0 188.205 2.682 10 30 AFEERN CC(C)(C)C#C[C@H](O)[C@@H]1CC=CCC1 238117186 573790568 /nfs/dbraw/zinc/79/05/68/573790568.db2.gz OENXJHXSUOGKDS-NEPJUHHUSA-N 0 0 192.302 2.753 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C=C/C=C/C 308434102 573790640 /nfs/dbraw/zinc/79/06/40/573790640.db2.gz VEXXMVISLWGUCP-VCFNWKFDSA-N 0 0 180.247 2.627 10 30 AFEERN Cc1ccc(C(C)C)c(O)c1/C=N/O 108474965 573790842 /nfs/dbraw/zinc/79/08/42/573790842.db2.gz SUOMUEMSLLGERD-WUXMJOGZSA-N 0 0 193.246 2.632 10 30 AFEERN C#CCCSCC1CC(OCC)C1 308432854 573790859 /nfs/dbraw/zinc/79/08/59/573790859.db2.gz UNNWRUVFGOGFHJ-UHFFFAOYSA-N 0 0 198.331 2.558 10 30 AFEERN CC1=CCC(C(C)C)=CC1=O 238119520 573792009 /nfs/dbraw/zinc/79/20/09/573792009.db2.gz CDKVSWKLMRJNCV-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC(C)(C)OC(=O)N=C(Cl)Cl 238116972 573791012 /nfs/dbraw/zinc/79/10/12/573791012.db2.gz HHAGGYPVWZCDLW-UHFFFAOYSA-N 0 0 198.049 2.755 10 30 AFEERN CCCCN=Nc1ccc(C)cn1 308434086 573791111 /nfs/dbraw/zinc/79/11/11/573791111.db2.gz VESFURSZAXHBRE-UHFFFAOYSA-N 0 0 177.251 2.588 10 30 AFEERN SCCC1(C2CCCC2)COC1 258514879 573791133 /nfs/dbraw/zinc/79/11/33/573791133.db2.gz GMNJIPBOKJIEPL-UHFFFAOYSA-N 0 0 186.320 2.513 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1ccc2[nH]cnc2c1 258949537 573791273 /nfs/dbraw/zinc/79/12/73/573791273.db2.gz DTJBHUFHYVZPPD-CABZTGNLSA-N 0 0 197.241 2.580 10 30 AFEERN CC(C)(C)C#C[C@@H](O)C1=CCCCC1 238116228 573791294 /nfs/dbraw/zinc/79/12/94/573791294.db2.gz JXJXYSVWCKCXFW-GFCCVEGCSA-N 0 0 192.302 2.897 10 30 AFEERN Cc1cccc(CC#N)c1OC(F)F 238517024 573791296 /nfs/dbraw/zinc/79/12/96/573791296.db2.gz OLLRDVWRVUICHG-UHFFFAOYSA-N 0 0 197.184 2.663 10 30 AFEERN CCC(=O)c1cc(C#N)cc(CC)c1 306713015 573791379 /nfs/dbraw/zinc/79/13/79/573791379.db2.gz ZQJIBMCKBWYABJ-UHFFFAOYSA-N 0 0 187.242 2.713 10 30 AFEERN C=CC[C@@H](C)C1(CO)CC(F)(F)C1 715010771 573791433 /nfs/dbraw/zinc/79/14/33/573791433.db2.gz QCKFZJGBPQLRMF-MRVPVSSYSA-N 0 0 190.233 2.606 10 30 AFEERN C=CC[C@H](C)CC[C@H](O)C1CC1 715010754 573791451 /nfs/dbraw/zinc/79/14/51/573791451.db2.gz PXGZESBVXALLOH-ONGXEEELSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@@H](C)CC[C@H](O)C1CC1 715010746 573791541 /nfs/dbraw/zinc/79/15/41/573791541.db2.gz PXGZESBVXALLOH-KOLCDFICSA-N 0 0 168.280 2.750 10 30 AFEERN C=CC[C@H](C)CC[C@@H](O)C1CC1 715010745 573791627 /nfs/dbraw/zinc/79/16/27/573791627.db2.gz PXGZESBVXALLOH-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN C=CCOC(=O)C#CCCCCCC 100292442 573791862 /nfs/dbraw/zinc/79/18/62/573791862.db2.gz LBOWPISEXWHMQT-UHFFFAOYSA-N 0 0 194.274 2.689 10 30 AFEERN C[C@@H]1C=CC(=O)[C@@H](C(C)(C)C)C1 238518416 573791911 /nfs/dbraw/zinc/79/19/11/573791911.db2.gz XKKBJXMXPYITJE-BDAKNGLRSA-N 0 0 166.264 2.814 10 30 AFEERN CC(=O)C1=C(C(C)C)CC[C@@H]1C 238104457 573791942 /nfs/dbraw/zinc/79/19/42/573791942.db2.gz UQUCJJORRVIMDM-QMMMGPOBSA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C)ON=C(C)c1ccco1 308439802 573791969 /nfs/dbraw/zinc/79/19/69/573791969.db2.gz YOKCWETTWHYCFD-QMMMGPOBSA-N 0 0 181.235 2.819 10 30 AFEERN CC(C)C[C@@H](CF)CC#N 258514948 573791985 /nfs/dbraw/zinc/79/19/85/573791985.db2.gz LSLSMCAUAVZQAD-QMMMGPOBSA-N 0 0 143.205 2.532 10 30 AFEERN CC(C)CC(=O)/C=C/Br 238125628 573798050 /nfs/dbraw/zinc/79/80/50/573798050.db2.gz FWMPOTNKEKONIW-ONEGZZNKSA-N 0 0 191.068 2.510 10 30 AFEERN CC(C)CC[C@]1(C)C=CC(=O)C1 238119950 573793012 /nfs/dbraw/zinc/79/30/12/573793012.db2.gz CBGBRTCPLDLZSJ-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)C[C@H](CF)CC#N 258514945 573793069 /nfs/dbraw/zinc/79/30/69/573793069.db2.gz LSLSMCAUAVZQAD-MRVPVSSYSA-N 0 0 143.205 2.532 10 30 AFEERN Cc1ccsc1N(C)CCCC#N 258946225 573793143 /nfs/dbraw/zinc/79/31/43/573793143.db2.gz QURBOVUFQRLFPW-UHFFFAOYSA-N 0 0 194.303 2.797 10 30 AFEERN CC(C)Oc1ccccc1[C@H](C)C=O 257878327 573796413 /nfs/dbraw/zinc/79/64/13/573796413.db2.gz UZPDHQUYHUPFBO-SNVBAGLBSA-N 0 0 192.258 2.776 10 30 AFEERN CC(C)C[C@H](C=O)CC1CC1 78639688 573796283 /nfs/dbraw/zinc/79/62/83/573796283.db2.gz RYUBWQLNLBGZDA-JTQLQIEISA-N 0 0 154.253 2.648 10 30 AFEERN CC(C)(C#N)CNc1cccs1 258951921 573796660 /nfs/dbraw/zinc/79/66/60/573796660.db2.gz RORRLEBEFHXEEL-UHFFFAOYSA-N 0 0 180.276 2.710 10 30 AFEERN Nc1ccc(C=Nc2ccccc2)o1 308442299 573796672 /nfs/dbraw/zinc/79/66/72/573796672.db2.gz ZHZXCBHVCJYRFM-UHFFFAOYSA-N 0 0 186.214 2.612 10 30 AFEERN CC(C)Oc1ccccc1[C@@H](C)C=O 257878322 573796764 /nfs/dbraw/zinc/79/67/64/573796764.db2.gz UZPDHQUYHUPFBO-JTQLQIEISA-N 0 0 192.258 2.776 10 30 AFEERN C=C[C@@H](C#N)c1c[nH]c2ccccc12 238105070 573796853 /nfs/dbraw/zinc/79/68/53/573796853.db2.gz LKNPLWHBAZFYAK-VIFPVBQESA-N 0 0 182.226 2.961 10 30 AFEERN C=CC[C@H](C)C1(CO)CC=CC1 715011009 573796932 /nfs/dbraw/zinc/79/69/32/573796932.db2.gz QZJUVLYUJYUAEZ-JTQLQIEISA-N 0 0 166.264 2.527 10 30 AFEERN C=C[C@@H]1C(=O)C2CCCC1CCC2 238125705 573797007 /nfs/dbraw/zinc/79/70/07/573797007.db2.gz HDIDKMFTBSJDOV-ILDUYXDCSA-N 0 0 178.275 2.958 10 30 AFEERN ON=C1CC[C@H](Cc2ccccc2)C1 308441403 573797052 /nfs/dbraw/zinc/79/70/52/573797052.db2.gz XUCGNCCTQTZJQS-LLVKDONJSA-N 0 0 189.258 2.859 10 30 AFEERN C/C=C\C(=O)c1ccccc1OCC 308440950 573797087 /nfs/dbraw/zinc/79/70/87/573797087.db2.gz IHZUHFZTUONQRU-CLTKARDFSA-N 0 0 190.242 2.844 10 30 AFEERN C=CC[C@H](C)[C@@H](O)C1CC(C2CC2)C1 715012303 573797671 /nfs/dbraw/zinc/79/76/71/573797671.db2.gz YYJKKLVWKOXMHH-ZHYKRGJUSA-N 0 0 194.318 2.996 10 30 AFEERN C=C(CO)c1ccccc1C(C)(C)C 238126923 573797749 /nfs/dbraw/zinc/79/77/49/573797749.db2.gz QMKQROYKJWSEJB-UHFFFAOYSA-N 0 0 190.286 2.990 10 30 AFEERN C#C/C(C)=C\C[C@@H]1CCCC[C@@H]1O 393563268 573797972 /nfs/dbraw/zinc/79/79/72/573797972.db2.gz DJSWXBBVAAIAMX-RVWWTBQBSA-N 0 0 178.275 2.507 10 30 AFEERN C=C(C)C[C@](C)(O)c1ccc(O)cc1 238104998 573798188 /nfs/dbraw/zinc/79/81/88/573798188.db2.gz IJWXOTIASAUJQD-LBPRGKRZSA-N 0 0 192.258 2.566 10 30 AFEERN C[C@@H]1Cc2cc(C3(C#N)CC3)ccc2O1 214980912 573798210 /nfs/dbraw/zinc/79/82/10/573798210.db2.gz HBIVBFRPVVXJPW-SECBINFHSA-N 0 0 199.253 2.565 10 30 AFEERN CC[C@H]1CCCC1=NNC(C)(C)C 393590481 573798235 /nfs/dbraw/zinc/79/82/35/573798235.db2.gz NLAFNACAZQPTHK-VIFPVBQESA-N 0 0 182.311 2.941 10 30 AFEERN Cc1sc2cccc(N)c2c1C#N 306711984 573798339 /nfs/dbraw/zinc/79/83/39/573798339.db2.gz YLXDAZNLYTYGOF-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=CC[C@@H](C)[C@H](O)C1CC(C2CC2)C1 715012279 573798461 /nfs/dbraw/zinc/79/84/61/573798461.db2.gz YYJKKLVWKOXMHH-QWCHVHKLSA-N 0 0 194.318 2.996 10 30 AFEERN Cc1c(C#N)c2cccc3c2n1CCC3 259571989 573798580 /nfs/dbraw/zinc/79/85/80/573798580.db2.gz VDZYUTXZJXFIFW-UHFFFAOYSA-N 0 0 196.253 2.768 10 30 AFEERN C=C(C)[C@@H]1CC[C@](C)(Cl)[C@@H](O)C1 238125896 573798588 /nfs/dbraw/zinc/79/85/88/573798588.db2.gz QUQBGXSGPVDGSW-UTLUCORTSA-N 0 0 188.698 2.721 10 30 AFEERN CC=CC(=O)Cc1cccc(F)c1F 308437738 573798708 /nfs/dbraw/zinc/79/87/08/573798708.db2.gz UBAVSSNXHZQSEY-RQOWECAXSA-N 0 0 196.196 2.653 10 30 AFEERN CC[C@@H](C#N)NCC1(CC(C)C)CC1 308746472 573798780 /nfs/dbraw/zinc/79/87/80/573798780.db2.gz RIMUGCSMFKAJMF-NSHDSACASA-N 0 0 194.322 2.704 10 30 AFEERN C=C(CC)CC(=O)[C@@H](OC)C(C)(C)C 132222316 573799615 /nfs/dbraw/zinc/79/96/15/573799615.db2.gz WLUOLOBQWMEDJV-LLVKDONJSA-N 0 0 198.306 2.973 10 30 AFEERN C=C(C)[C@@H]1CC[C@@H]2C(=O)CC[C@H]21 238125598 573799626 /nfs/dbraw/zinc/79/96/26/573799626.db2.gz JGHUDRWKUSTNGZ-GUBZILKMSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)C[C@]1(C)CCCC1=O 238105335 573800591 /nfs/dbraw/zinc/80/05/91/573800591.db2.gz JRGPHXKMHKXWLN-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C=CC[C@H](C)[C@H](O)C1CC(C2CC2)C1 715012309 573800613 /nfs/dbraw/zinc/80/06/13/573800613.db2.gz YYJKKLVWKOXMHH-ZIUBGBMXSA-N 0 0 194.318 2.996 10 30 AFEERN CC(C)=C1C(=O)C[C@H]1C(C)(C)C 238126856 573800748 /nfs/dbraw/zinc/80/07/48/573800748.db2.gz KWYITCXPSBNUHE-MRVPVSSYSA-N 0 0 166.264 2.958 10 30 AFEERN O=CCCc1cc(F)cc2ccoc12 258131126 573800716 /nfs/dbraw/zinc/80/07/16/573800716.db2.gz RMCOGIYQYGQBSD-UHFFFAOYSA-N 0 0 192.189 2.703 10 30 AFEERN CCC(CC)[C@H](C#N)SC 87156020 573801996 /nfs/dbraw/zinc/80/19/96/573801996.db2.gz HFIIRISWEBMERO-QMMMGPOBSA-N 0 0 157.282 2.678 10 30 AFEERN O=C(/C=C/c1cccs1)C1CC1 108693463 573801609 /nfs/dbraw/zinc/80/16/09/573801609.db2.gz BDXAMTRLRJRFKJ-AATRIKPKSA-N 0 0 178.256 2.740 10 30 AFEERN C=CCC(=O)[C@H](OCC)C(C)(C)C 132240114 573801628 /nfs/dbraw/zinc/80/16/28/573801628.db2.gz QTUAQEBLDZIDPG-JTQLQIEISA-N 0 0 184.279 2.583 10 30 AFEERN CC(C)CC[C@@]1(C)C=CC(=O)C1 238127639 573801645 /nfs/dbraw/zinc/80/16/45/573801645.db2.gz CBGBRTCPLDLZSJ-NSHDSACASA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=C1CCC(=O)C(C)C1=O 238120727 573801691 /nfs/dbraw/zinc/80/16/91/573801691.db2.gz VOCNVPHVUSZKLR-UHFFFAOYSA-N 0 0 166.220 2.518 10 30 AFEERN C=C(C)[C@@H]1CCC[C@@H](O)CC1 238123513 573801699 /nfs/dbraw/zinc/80/16/99/573801699.db2.gz HKQUOEKCZIDRKQ-NXEZZACHSA-N 0 0 154.253 2.504 10 30 AFEERN C#CC(C)(C)C[C@@H](O)c1ccccc1 238128092 573801735 /nfs/dbraw/zinc/80/17/35/573801735.db2.gz RVCQNGRSXNSCEU-GFCCVEGCSA-N 0 0 188.270 2.770 10 30 AFEERN C=C(CC)C[C@@H](O)c1ncccc1F 131252100 573801750 /nfs/dbraw/zinc/80/17/50/573801750.db2.gz NROVVFDQOXFFQY-SNVBAGLBSA-N 0 0 195.237 2.610 10 30 AFEERN CSc1ccccc1[C@@H](C)C=O 257878762 573801821 /nfs/dbraw/zinc/80/18/21/573801821.db2.gz LOTHEDJVSHEOLH-QMMMGPOBSA-N 0 0 180.272 2.711 10 30 AFEERN C=CCCC(=O)[C@]1(C)C[C@@H]1C 238515875 573805787 /nfs/dbraw/zinc/80/57/87/573805787.db2.gz SHRDTHBREYKMAK-WCBMZHEXSA-N 0 0 152.237 2.568 10 30 AFEERN CC1=C2CC[C@H]2[C@H](C)C(C)(C)C1=O 238515652 573805742 /nfs/dbraw/zinc/80/57/42/573805742.db2.gz YCIKUZOTJCFVCT-WPRPVWTQSA-N 0 0 178.275 2.958 10 30 AFEERN CSc1ccc(NCS)cc1 258959886 573805548 /nfs/dbraw/zinc/80/55/48/573805548.db2.gz SSXUVGQEPLDNRK-UHFFFAOYSA-N 0 0 185.317 2.708 10 30 AFEERN CC(C)(CS)Nc1ccccc1F 238127347 573805592 /nfs/dbraw/zinc/80/55/92/573805592.db2.gz WTLORJCCCFGJGR-UHFFFAOYSA-N 0 0 199.294 2.946 10 30 AFEERN C=C1CCC[C@H]1CC(C)(C)C=O 238128349 573805642 /nfs/dbraw/zinc/80/56/42/573805642.db2.gz PQPSTUXGDLWOES-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccc2c(C)c(C#N)oc2c1 238515887 573805665 /nfs/dbraw/zinc/80/56/65/573805665.db2.gz LHBRBMBDEHFCPU-UHFFFAOYSA-N 0 0 171.199 2.921 10 30 AFEERN Cc1cnc(CC#N)c(C)c1C(F)F 238516483 573805687 /nfs/dbraw/zinc/80/56/87/573805687.db2.gz KZBMOKBTBWLFNZ-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN Cc1ccc(C)c(N(C)CCS)c1 258958293 573805694 /nfs/dbraw/zinc/80/56/94/573805694.db2.gz VODFXCSBQRIKLO-UHFFFAOYSA-N 0 0 195.331 2.669 10 30 AFEERN Cc1ccc([C@@H]2C[C@@H]2C#N)c(C)c1 259192350 573805698 /nfs/dbraw/zinc/80/56/98/573805698.db2.gz PTPWHJYYIPRLPX-ZYHUDNBSSA-N 0 0 171.243 2.931 10 30 AFEERN Cc1cc(F)cc([C@@H](C)CC=O)c1O 258136065 573808494 /nfs/dbraw/zinc/80/84/94/573808494.db2.gz RVKZQBUJYIKMAA-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN Cc1cc(F)cc([C@H](C)CC=O)c1O 258136062 573808715 /nfs/dbraw/zinc/80/87/15/573808715.db2.gz RVKZQBUJYIKMAA-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN C=CCC1(NC(=O)OC(C)(C)C)CC1 238121805 573808721 /nfs/dbraw/zinc/80/87/21/573808721.db2.gz SLJSXMIOCRPPBW-UHFFFAOYSA-N 0 0 197.278 2.620 10 30 AFEERN Cc1cc(C)c(CNCS)cc1C 258955704 573808774 /nfs/dbraw/zinc/80/87/74/573808774.db2.gz SBMRXNFTFZHCEJ-UHFFFAOYSA-N 0 0 195.331 2.589 10 30 AFEERN C=C[C@@]1(C)C(=O)CC[C@H]1C(=C)C 238121698 573808812 /nfs/dbraw/zinc/80/88/12/573808812.db2.gz AXTZYPXAAZSDJS-GXSJLCMTSA-N 0 0 164.248 2.734 10 30 AFEERN Cc1cccc2c1c(CS)cn2C 257882577 573808914 /nfs/dbraw/zinc/80/89/14/573808914.db2.gz KKPLZGCVTVWYCD-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN C#CCCCCC(=O)C1CCCC1 127271361 573808937 /nfs/dbraw/zinc/80/89/37/573808937.db2.gz BUBBHGYJSVYTEF-UHFFFAOYSA-N 0 0 178.275 2.939 10 30 AFEERN CC(C)=C1CCCCCC1=O 238120964 573808942 /nfs/dbraw/zinc/80/89/42/573808942.db2.gz CRKXJSZSPISKRC-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN C=C[C@@H]1C[C@]2(C)CC(=O)C[C@@]12C 238529559 573809230 /nfs/dbraw/zinc/80/92/30/573809230.db2.gz JAYJQQCZMDUHBA-IEBDPFPHSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)[C@@H]1CCC(=O)C(C)(C)C1 238120970 573811245 /nfs/dbraw/zinc/81/12/45/573811245.db2.gz ZTTGANRNTNNFBW-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(C)[C@@H]1CCC[C@H]1C(C)=O 238123769 573811258 /nfs/dbraw/zinc/81/12/58/573811258.db2.gz VMQWZLZCHDKQPP-UWVGGRQHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C[C@]1(C)C(=O)CC[C@H]1C(=C)C 238121519 573811011 /nfs/dbraw/zinc/81/10/11/573811011.db2.gz AXTZYPXAAZSDJS-ONGXEEELSA-N 0 0 164.248 2.734 10 30 AFEERN C=C[C@H]1C[C@@H]1C(=O)C1CCCCC1 238122653 573811107 /nfs/dbraw/zinc/81/11/07/573811107.db2.gz XJNMAPSTMQHAAD-ONGXEEELSA-N 0 0 178.275 2.958 10 30 AFEERN CC(C)CCC(=O)[C@@H](C#N)C(C)C 41045763 573811112 /nfs/dbraw/zinc/81/11/12/573811112.db2.gz ZGFTTWJFXINZCT-JTQLQIEISA-N 0 0 181.279 2.787 10 30 AFEERN C=C(C)[C@@H]1CCCC(=O)CC1 238122998 573811273 /nfs/dbraw/zinc/81/12/73/573811273.db2.gz QGWMIEKDCUWCHR-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN O=C(C1=CCC1)c1cccc(F)c1 238528929 573811325 /nfs/dbraw/zinc/81/13/25/573811325.db2.gz WEEIMNFOTDBHNV-UHFFFAOYSA-N 0 0 176.190 2.729 10 30 AFEERN CC(C)[C@H](C#N)C(=O)CC(C)(C)C 41045754 573811330 /nfs/dbraw/zinc/81/13/30/573811330.db2.gz NKMWNURMQUSSHS-VIFPVBQESA-N 0 0 181.279 2.787 10 30 AFEERN Cn1cnc2cc(N=[N+]=[N-])ccc21 238528912 573811504 /nfs/dbraw/zinc/81/15/04/573811504.db2.gz ICKAVEVMCGTXPL-UHFFFAOYSA-N 0 0 173.179 2.515 10 30 AFEERN C=C[C@H]1C[C@H]1C(=O)C1CCCCC1 238123468 573811564 /nfs/dbraw/zinc/81/15/64/573811564.db2.gz XJNMAPSTMQHAAD-GXSJLCMTSA-N 0 0 178.275 2.958 10 30 AFEERN C=C[C@H](OC)c1ccccc1[C@@H](C)O 308444184 573812583 /nfs/dbraw/zinc/81/25/83/573812583.db2.gz JGDRVLKJZUDCFD-SKDRFNHKSA-N 0 0 192.258 2.613 10 30 AFEERN Cc1cc(C#N)c(N)c2ccsc12 306930586 573812603 /nfs/dbraw/zinc/81/26/03/573812603.db2.gz DEDXBDGTFZLPHG-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CCCc1ccccc1C(F)(F)C=O 257880098 573812608 /nfs/dbraw/zinc/81/26/08/573812608.db2.gz RVJNOBKVJIVACG-UHFFFAOYSA-N 0 0 198.212 2.930 10 30 AFEERN CCC[C@H](C)C=NN[C@@H](C)C(F)F 308444339 573812659 /nfs/dbraw/zinc/81/26/59/573812659.db2.gz APHWIZHEHPSHFC-YUMQZZPRSA-N 0 0 192.253 2.652 10 30 AFEERN CCC(CC)C[C@@H](C)C=O 87174525 573812724 /nfs/dbraw/zinc/81/27/24/573812724.db2.gz XLRQQPVYNKKZNV-MRVPVSSYSA-N 0 0 142.242 2.648 10 30 AFEERN O=CCC(F)(F)c1ccccc1F 257880192 573812740 /nfs/dbraw/zinc/81/27/40/573812740.db2.gz VHIFOABTRDQBIC-UHFFFAOYSA-N 0 0 188.148 2.507 10 30 AFEERN SCNc1coc2ccccc12 258961376 573812754 /nfs/dbraw/zinc/81/27/54/573812754.db2.gz SWFVRHOZLHUBAM-UHFFFAOYSA-N 0 0 179.244 2.732 10 30 AFEERN C=C[C@@H](C)C[C@H](O)C1CCCC1 127362886 573812778 /nfs/dbraw/zinc/81/27/78/573812778.db2.gz IIKAMTZNZCCECX-KOLCDFICSA-N 0 0 168.280 2.750 10 30 AFEERN C#CCCCC[C@@H](O)C1CCCC1 127360357 573812819 /nfs/dbraw/zinc/81/28/19/573812819.db2.gz ICIIXILDSSZIQH-GFCCVEGCSA-N 0 0 180.291 2.731 10 30 AFEERN CCC[C@H](C)C=NN[C@H](C)C(F)F 308444337 573812840 /nfs/dbraw/zinc/81/28/40/573812840.db2.gz APHWIZHEHPSHFC-JGVFFNPUSA-N 0 0 192.253 2.652 10 30 AFEERN CC[C@@](C)(C#N)Cc1csc(C)n1 84278021 573813714 /nfs/dbraw/zinc/81/37/14/573813714.db2.gz YICFWLPNWOBFOD-SNVBAGLBSA-N 0 0 194.303 2.934 10 30 AFEERN C=CC[C@H](C)[C@H](O)[C@@H]1[C@H]2CCC[C@H]21 715012147 573812887 /nfs/dbraw/zinc/81/28/87/573812887.db2.gz XOYQNRUQZHOTSR-HGCLJGPKSA-N 0 0 180.291 2.606 10 30 AFEERN C#Cc1ccc2ccnc(Cl)c2c1 238522537 573813718 /nfs/dbraw/zinc/81/37/18/573813718.db2.gz AHMRHQCVIWBUNN-UHFFFAOYSA-N 0 0 187.629 2.870 10 30 AFEERN C=C(C)CC[C@@H](O)C1CCCC1 127371453 573812916 /nfs/dbraw/zinc/81/29/16/573812916.db2.gz MLCLZQYBKDROOS-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN C=C(C)CC(=O)[C@@H](OCC)C(C)(C)C 132266008 573813007 /nfs/dbraw/zinc/81/30/07/573813007.db2.gz FBAUSUJLAYUMAI-LLVKDONJSA-N 0 0 198.306 2.973 10 30 AFEERN CCC(CC)C(=O)[C@H](C#N)C(C)C 41045750 573813161 /nfs/dbraw/zinc/81/31/61/573813161.db2.gz FHWRALLYECNKIV-SNVBAGLBSA-N 0 0 181.279 2.787 10 30 AFEERN CCCCC(=O)[C@@H](C#N)C(C)C 41045745 573813324 /nfs/dbraw/zinc/81/33/24/573813324.db2.gz YMJIZGBHICDXOE-VIFPVBQESA-N 0 0 167.252 2.541 10 30 AFEERN COc1ccc([C@@H]2C[C@H]2C#N)cc1C 259199399 573813420 /nfs/dbraw/zinc/81/34/20/573813420.db2.gz QBVBKSIKWJMGST-QWRGUYRKSA-N 0 0 187.242 2.631 10 30 AFEERN CC(C)[C@@H](C#N)C(=O)CC(C)(C)C 41045753 573813580 /nfs/dbraw/zinc/81/35/80/573813580.db2.gz NKMWNURMQUSSHS-SECBINFHSA-N 0 0 181.279 2.787 10 30 AFEERN COc1cc(F)cc(C#N)c1C(C)C 258140841 573813637 /nfs/dbraw/zinc/81/36/37/573813637.db2.gz SJRWIZMEHSVLDN-UHFFFAOYSA-N 0 0 193.221 2.829 10 30 AFEERN CC(C)[C@H](C#N)C(=O)CC1CCCC1 41045728 573813626 /nfs/dbraw/zinc/81/36/26/573813626.db2.gz NEADBNHTUUAWCY-NSHDSACASA-N 0 0 193.290 2.932 10 30 AFEERN CCCCCC(=O)[C@H](C#N)C(C)C 41045776 573813641 /nfs/dbraw/zinc/81/36/41/573813641.db2.gz XDIUGPUWYFYBMZ-SNVBAGLBSA-N 0 0 181.279 2.932 10 30 AFEERN C#CC[C@@H](C)[C@H](O)/C=C/[C@H](C)CCC 308446734 573818492 /nfs/dbraw/zinc/81/84/92/573818492.db2.gz MVZYLGSSLGRPLP-QNEZDRPGSA-N 0 0 194.318 2.999 10 30 AFEERN C=CCC(=O)CC=C=C(C)C 238131983 573814602 /nfs/dbraw/zinc/81/46/02/573814602.db2.gz LYKPUYLTIBSTDL-UHFFFAOYSA-N 0 0 150.221 2.643 10 30 AFEERN C=C(C)[C@@]1(C)CC(=O)C1(C)C 238133837 573814609 /nfs/dbraw/zinc/81/46/09/573814609.db2.gz ROGCOZYLYRPFII-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@]1(C(C)=O)C=CCCC1 238133750 573814623 /nfs/dbraw/zinc/81/46/23/573814623.db2.gz COMCJIYLLKTAMO-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CCC(CC)[C@H](C#N)N[C@@H](C)CC 41049772 573814675 /nfs/dbraw/zinc/81/46/75/573814675.db2.gz DFIXJHWMMRVCEY-ONGXEEELSA-N 0 0 182.311 2.703 10 30 AFEERN C=C[C@@H](C)C[C@@H](O)C1CCCC1 127363342 573814719 /nfs/dbraw/zinc/81/47/19/573814719.db2.gz IIKAMTZNZCCECX-MWLCHTKSSA-N 0 0 168.280 2.750 10 30 AFEERN CCC(CC)[C@H](C#N)NCC(C)C 41049718 573814741 /nfs/dbraw/zinc/81/47/41/573814741.db2.gz YBMXBPXSJFPRPM-NSHDSACASA-N 0 0 182.311 2.560 10 30 AFEERN C=C(C)[C@@H]1C[C@H](O)[C@]2(C)C=CC[C@@H]2C1 238132182 573814762 /nfs/dbraw/zinc/81/47/62/573814762.db2.gz HXPKHNPUVALOLW-QNWHQSFQSA-N 0 0 192.302 2.916 10 30 AFEERN C=C(C)[C@@H]1COc2cc(C)ccc2N1 238131894 573814776 /nfs/dbraw/zinc/81/47/76/573814776.db2.gz WUUBTWHKRCNAHN-NSHDSACASA-N 0 0 189.258 2.744 10 30 AFEERN CC(C)[C@@H](C#N)[C@H](N)c1cccs1 259200708 573814817 /nfs/dbraw/zinc/81/48/17/573814817.db2.gz DLCAPNNODGRHKM-SCZZXKLOSA-N 0 0 194.303 2.544 10 30 AFEERN C[C@]12CCC[C@@]1(C)C(C=O)=C(O)C2 393564204 573814819 /nfs/dbraw/zinc/81/48/19/573814819.db2.gz NKYMKTXECHPZMJ-SFEFJYQLSA-N 0 0 180.247 2.598 10 30 AFEERN CC(C)[C@H](C#N)[C@H](N)c1cccs1 259200716 573814860 /nfs/dbraw/zinc/81/48/60/573814860.db2.gz DLCAPNNODGRHKM-WPRPVWTQSA-N 0 0 194.303 2.544 10 30 AFEERN CC(=O)Sc1ccc(NC=O)cc1 238133460 573814867 /nfs/dbraw/zinc/81/48/67/573814867.db2.gz TUIIDFRYFHWENV-UHFFFAOYSA-N 0 0 195.243 2.543 10 30 AFEERN CCC(CC)[C@@H](C#N)N[C@H](C)CC 41049773 573814909 /nfs/dbraw/zinc/81/49/09/573814909.db2.gz DFIXJHWMMRVCEY-MWLCHTKSSA-N 0 0 182.311 2.703 10 30 AFEERN CC(C)=C=C[C@]1(C=O)C[C@H]2C=C[C@@H]1C2 238132882 573814938 /nfs/dbraw/zinc/81/49/38/573814938.db2.gz FSBFDRRUJFEDIE-YNEHKIRRSA-N 0 0 188.270 2.889 10 30 AFEERN CCC[C@@H](C)C=NN[C@H](C)C(F)F 308444336 573815033 /nfs/dbraw/zinc/81/50/33/573815033.db2.gz APHWIZHEHPSHFC-HTQZYQBOSA-N 0 0 192.253 2.652 10 30 AFEERN C=C(C)CC[C@H](O)C1CCCC1 127371224 573815071 /nfs/dbraw/zinc/81/50/71/573815071.db2.gz MLCLZQYBKDROOS-NSHDSACASA-N 0 0 168.280 2.894 10 30 AFEERN C=Cc1ccccc1[C@@H]1C[C@@H]1C=O 238132751 573815109 /nfs/dbraw/zinc/81/51/09/573815109.db2.gz ZXYVNDWLCHVXPS-ZYHUDNBSSA-N 0 0 172.227 2.632 10 30 AFEERN CCC(CC)[C@@H](C#N)NC1CCCC1 41049757 573815311 /nfs/dbraw/zinc/81/53/11/573815311.db2.gz XCISCLKPERGIEG-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN C=C(C)CC(=O)N[C@H](CC)C(C)C 308444307 573815328 /nfs/dbraw/zinc/81/53/28/573815328.db2.gz ANUWXJBVYQOSHC-SNVBAGLBSA-N 0 0 183.295 2.503 10 30 AFEERN CC[C@H](C#N)c1ccc2c(c1)ncn2C 259199354 573815362 /nfs/dbraw/zinc/81/53/62/573815362.db2.gz KZIPNHFMYBIIOE-SECBINFHSA-N 0 0 199.257 2.590 10 30 AFEERN CC(C)=CC#C[C@H](O)c1ccccc1 238133203 573815377 /nfs/dbraw/zinc/81/53/77/573815377.db2.gz GAIMDXFVVKJYMS-ZDUSSCGKSA-N 0 0 186.254 2.690 10 30 AFEERN CCC(CC)[C@H](C#N)NC1CCCC1 41049758 573815392 /nfs/dbraw/zinc/81/53/92/573815392.db2.gz XCISCLKPERGIEG-LBPRGKRZSA-N 0 0 194.322 2.847 10 30 AFEERN CCC[C@@]1(C#N)CC1(C)C 258932754 573815397 /nfs/dbraw/zinc/81/53/97/573815397.db2.gz AZSNLUBAKALYDG-VIFPVBQESA-N 0 0 137.226 2.726 10 30 AFEERN CC[C@@H](C#N)c1ccc2c(c1)ncn2C 259199355 573815426 /nfs/dbraw/zinc/81/54/26/573815426.db2.gz KZIPNHFMYBIIOE-VIFPVBQESA-N 0 0 199.257 2.590 10 30 AFEERN C#Cc1cccc2c(Cl)nccc12 238522164 573815503 /nfs/dbraw/zinc/81/55/03/573815503.db2.gz OBNAKNCJXFMPEN-UHFFFAOYSA-N 0 0 187.629 2.870 10 30 AFEERN N#Cc1cc(Cl)c2ncccc2c1 260483874 573815570 /nfs/dbraw/zinc/81/55/70/573815570.db2.gz KNYTYJHLLRTCFN-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN C=C(C)[C@@H]1COc2cc(F)ccc2N1 238131927 573815673 /nfs/dbraw/zinc/81/56/73/573815673.db2.gz WPLFHVKOTNGXGW-JTQLQIEISA-N 0 0 193.221 2.575 10 30 AFEERN Cc1ccc(O)c(C(C)(C)C#N)c1 238522649 573815769 /nfs/dbraw/zinc/81/57/69/573815769.db2.gz ITYHGNAGFBHIHG-UHFFFAOYSA-N 0 0 175.231 2.502 10 30 AFEERN C=CC[C@@H](C)[C@@H](CO)C(C)(C)C 715012134 573815828 /nfs/dbraw/zinc/81/58/28/573815828.db2.gz XOVBPNXXPSQYDG-NXEZZACHSA-N 0 0 170.296 2.853 10 30 AFEERN C=C[C@H](C)C[C@@H](O)C1CCCC1 127363549 573815833 /nfs/dbraw/zinc/81/58/33/573815833.db2.gz IIKAMTZNZCCECX-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN C=C(C)[C@@H]1CC[C@H]2C(=O)CC[C@@H]12 238124246 573817119 /nfs/dbraw/zinc/81/71/19/573817119.db2.gz JGHUDRWKUSTNGZ-LPEHRKFASA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@]1(C)C[C@@H]1C(=O)C(C)(C)C 238132887 573815989 /nfs/dbraw/zinc/81/59/89/573815989.db2.gz UBCVWRNSRHOESC-KCJUWKMLSA-N 0 0 166.264 2.814 10 30 AFEERN C=C(C)[C@@H]1C[C@H](O)[C@]2(C)C=CC[C@H]2C1 238132204 573816030 /nfs/dbraw/zinc/81/60/30/573816030.db2.gz HXPKHNPUVALOLW-ZDEQEGDKSA-N 0 0 192.302 2.916 10 30 AFEERN Cc1nc(CC2(C#N)CCC2)cs1 84278029 573816032 /nfs/dbraw/zinc/81/60/32/573816032.db2.gz DJTLSDBHHSGUQS-UHFFFAOYSA-N 0 0 192.287 2.688 10 30 AFEERN C=Cc1ccc([C@H]2C[C@@H]2C=O)cc1 238135388 573818800 /nfs/dbraw/zinc/81/88/00/573818800.db2.gz GSBGSGWSYOAOLT-VXGBXAGGSA-N 0 0 172.227 2.632 10 30 AFEERN CCC(CC)[C@@H](C#N)NCC(C)C 41049717 573816095 /nfs/dbraw/zinc/81/60/95/573816095.db2.gz YBMXBPXSJFPRPM-LLVKDONJSA-N 0 0 182.311 2.560 10 30 AFEERN C=C(C)[C@@]1(C)CCCC(=O)C1 238133988 573817203 /nfs/dbraw/zinc/81/72/03/573817203.db2.gz PYDFESBJERUXQL-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C#CCCCC[C@H](O)C1CCCC1 127360144 573816102 /nfs/dbraw/zinc/81/61/02/573816102.db2.gz ICIIXILDSSZIQH-LBPRGKRZSA-N 0 0 180.291 2.731 10 30 AFEERN C[C@]12CCC[C@]1(C)CC(O)=C2C=O 393564201 573816254 /nfs/dbraw/zinc/81/62/54/573816254.db2.gz NKYMKTXECHPZMJ-QSNNZYTBSA-N 0 0 180.247 2.598 10 30 AFEERN Cc1cc([C@H](C)CC=O)c(F)cc1O 258140993 573816255 /nfs/dbraw/zinc/81/62/55/573816255.db2.gz SOGIJGHXBGKMIN-SSDOTTSWSA-N 0 0 196.221 2.532 10 30 AFEERN C=C(C)CC(=O)N[C@@H](CC)C(C)C 308444306 573816287 /nfs/dbraw/zinc/81/62/87/573816287.db2.gz ANUWXJBVYQOSHC-JTQLQIEISA-N 0 0 183.295 2.503 10 30 AFEERN CSc1ccc(NCCS)cc1 258961186 573816363 /nfs/dbraw/zinc/81/63/63/573816363.db2.gz VVQJOUWZLITZLT-UHFFFAOYSA-N 0 0 199.344 2.750 10 30 AFEERN CCC(CC)[C@@H](C#N)N[C@@H](C)CC 41049774 573816426 /nfs/dbraw/zinc/81/64/26/573816426.db2.gz DFIXJHWMMRVCEY-GXSJLCMTSA-N 0 0 182.311 2.703 10 30 AFEERN COc1c(Cl)cc(F)c(C)c1C#N 258141817 573816466 /nfs/dbraw/zinc/81/64/66/573816466.db2.gz OAXQLGWUVRLQHB-UHFFFAOYSA-N 0 0 199.612 2.668 10 30 AFEERN CCC[C@]1(C#N)CC1(C)C 258932753 573816586 /nfs/dbraw/zinc/81/65/86/573816586.db2.gz AZSNLUBAKALYDG-SECBINFHSA-N 0 0 137.226 2.726 10 30 AFEERN CC(C)=C=C[C@@]1(C=O)C[C@H]2C=C[C@@H]1C2 238132642 573816759 /nfs/dbraw/zinc/81/67/59/573816759.db2.gz FSBFDRRUJFEDIE-XQQFMLRXSA-N 0 0 188.270 2.889 10 30 AFEERN C#C[C@](C)(C(=C)C)[C@H]1CCCC1=O 238132753 573816765 /nfs/dbraw/zinc/81/67/65/573816765.db2.gz VXKGNBATPBSSAK-CMPLNLGQSA-N 0 0 176.259 2.571 10 30 AFEERN C=C1[C@@H](CC(C)=O)[C@H]2CC[C@@H]1C2 238132946 573816790 /nfs/dbraw/zinc/81/67/90/573816790.db2.gz LDFCBXUZHLEKRP-OUAUKWLOSA-N 0 0 164.248 2.568 10 30 AFEERN CC[C@@](C)(C#N)Cc1cccc(O)c1 87184600 573816848 /nfs/dbraw/zinc/81/68/48/573816848.db2.gz YKJRVMFVMOUMIV-GFCCVEGCSA-N 0 0 189.258 2.875 10 30 AFEERN C=C[C@]1(C)C[C@@H]1C(=O)C(C)(C)C 238132630 573817018 /nfs/dbraw/zinc/81/70/18/573817018.db2.gz UBCVWRNSRHOESC-LDYMZIIASA-N 0 0 166.264 2.814 10 30 AFEERN C=Cc1ccccc1[C@@H]1C[C@H]1C=O 238132779 573817042 /nfs/dbraw/zinc/81/70/42/573817042.db2.gz ZXYVNDWLCHVXPS-CMPLNLGQSA-N 0 0 172.227 2.632 10 30 AFEERN C=Cc1ccccc1[C@H]1C[C@@H]1C=O 238133112 573817123 /nfs/dbraw/zinc/81/71/23/573817123.db2.gz ZXYVNDWLCHVXPS-PWSUYJOCSA-N 0 0 172.227 2.632 10 30 AFEERN CC(C)=CC#C[C@@H](O)c1ccccc1 238133094 573817271 /nfs/dbraw/zinc/81/72/71/573817271.db2.gz GAIMDXFVVKJYMS-CYBMUJFWSA-N 0 0 186.254 2.690 10 30 AFEERN N#CC1(Cc2cccc(O)c2)CCC1 87184605 573817719 /nfs/dbraw/zinc/81/77/19/573817719.db2.gz GPFRYEPYLQWCAT-UHFFFAOYSA-N 0 0 187.242 2.629 10 30 AFEERN C=C(C)[C@@]1(C)COc2ccccc2N1 238136775 573817734 /nfs/dbraw/zinc/81/77/34/573817734.db2.gz KLVSDQQBZMSJPA-GFCCVEGCSA-N 0 0 189.258 2.826 10 30 AFEERN COc1c(Cl)cc(C)c(C)c1C#N 258145491 573817741 /nfs/dbraw/zinc/81/77/41/573817741.db2.gz SYKIOFKBASHBHH-UHFFFAOYSA-N 0 0 195.649 2.837 10 30 AFEERN CCCCNc1ccc(C#N)s1 306924372 573818018 /nfs/dbraw/zinc/81/80/18/573818018.db2.gz JDJZKYWHHBJFAI-UHFFFAOYSA-N 0 0 180.276 2.832 10 30 AFEERN CC(C)=CC(=O)c1ccc(O)c(C)c1 238137724 573818235 /nfs/dbraw/zinc/81/82/35/573818235.db2.gz GZPBXHNCKLOYQO-UHFFFAOYSA-N 0 0 190.242 2.850 10 30 AFEERN Cn1cc(-c2ccccc2)cc1C#N 259200101 573818257 /nfs/dbraw/zinc/81/82/57/573818257.db2.gz MZFVGXCUWTZLDR-UHFFFAOYSA-N 0 0 182.226 2.564 10 30 AFEERN CC[C@](C)(C#N)Cc1cccc(O)c1 87184598 573818574 /nfs/dbraw/zinc/81/85/74/573818574.db2.gz YKJRVMFVMOUMIV-LBPRGKRZSA-N 0 0 189.258 2.875 10 30 AFEERN CC[C@@](C)(C#N)Cc1ccc(O)cc1 87184595 573818580 /nfs/dbraw/zinc/81/85/80/573818580.db2.gz BSNRXIKFOYENBN-GFCCVEGCSA-N 0 0 189.258 2.875 10 30 AFEERN Cc1c(C#N)c(N)cc2sccc12 306922752 573818624 /nfs/dbraw/zinc/81/86/24/573818624.db2.gz WUPHOQMHRCNKDP-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CCc1ccc2c(c1)C1(CC1)[C@H](C#N)C2 259622587 573818666 /nfs/dbraw/zinc/81/86/66/573818666.db2.gz HILHWAGMVVWCDH-LBPRGKRZSA-N 0 0 197.281 2.976 10 30 AFEERN CC(C)c1nc(CC2CC2)c(C#N)o1 259622769 573818688 /nfs/dbraw/zinc/81/86/88/573818688.db2.gz HKMXVEMVKHXYST-UHFFFAOYSA-N 0 0 190.246 2.622 10 30 AFEERN C=C(C)[C@@]1(C)OCc2cc(O)ccc21 238136880 573818723 /nfs/dbraw/zinc/81/87/23/573818723.db2.gz VFQBGZNHGZGSIX-GFCCVEGCSA-N 0 0 190.242 2.714 10 30 AFEERN CC(C)=CC(=O)C[C@@H]1C=CCC1 238134972 573818757 /nfs/dbraw/zinc/81/87/57/573818757.db2.gz HFPLIPWDNAPEIH-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN Cc1ccc([C@@]2(C#N)CC2(C)C)o1 258963726 573819880 /nfs/dbraw/zinc/81/98/80/573819880.db2.gz HDPYQCAQVWRLKC-NSHDSACASA-N 0 0 175.231 2.779 10 30 AFEERN CC[C@H](C)[C@H](C#N)NC1CCCCC1 41050176 573819640 /nfs/dbraw/zinc/81/96/40/573819640.db2.gz RJBYFZAQVHLTBF-JQWIXIFHSA-N 0 0 194.322 2.847 10 30 AFEERN C[Si](C)(C)CCCCC=O 238523356 573819698 /nfs/dbraw/zinc/81/96/98/573819698.db2.gz REHRXSDHNQRMFD-UHFFFAOYSA-N 0 0 158.317 2.694 10 30 AFEERN Cc1ccc(C(=O)C2=CCC2)cc1 238530639 573820589 /nfs/dbraw/zinc/82/05/89/573820589.db2.gz PADAPZOGKMUUOX-UHFFFAOYSA-N 0 0 172.227 2.898 10 30 AFEERN CCc1ccc2c(c1)C1(CC1)[C@@H](C#N)C2 259622582 573819867 /nfs/dbraw/zinc/81/98/67/573819867.db2.gz HILHWAGMVVWCDH-GFCCVEGCSA-N 0 0 197.281 2.976 10 30 AFEERN C[C@H](CC=O)c1ccc(CCF)cc1 258147797 573819931 /nfs/dbraw/zinc/81/99/31/573819931.db2.gz TURPBFHBSQDYEK-SNVBAGLBSA-N 0 0 194.249 2.891 10 30 AFEERN CC[C@@H](C)[C@H](C#N)NC1CCCCC1 41050175 573819961 /nfs/dbraw/zinc/81/99/61/573819961.db2.gz RJBYFZAQVHLTBF-PWSUYJOCSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@](C)(C#N)Cc1ccc(O)cc1 87184593 573819984 /nfs/dbraw/zinc/81/99/84/573819984.db2.gz BSNRXIKFOYENBN-LBPRGKRZSA-N 0 0 189.258 2.875 10 30 AFEERN CCO[C@@](C)(C=O)CC1CCCCC1 257883447 573819991 /nfs/dbraw/zinc/81/99/91/573819991.db2.gz SIDHLHMUSSTRQA-GFCCVEGCSA-N 0 0 198.306 2.951 10 30 AFEERN CC[C@@H](C)[C@@H](C#N)NC1CCCCC1 41050173 573820182 /nfs/dbraw/zinc/82/01/82/573820182.db2.gz RJBYFZAQVHLTBF-ZYHUDNBSSA-N 0 0 194.322 2.847 10 30 AFEERN C=Cc1cccc(C2(C#N)CC2)c1 238136862 573820231 /nfs/dbraw/zinc/82/02/31/573820231.db2.gz KOQRMLJBMAGJGK-UHFFFAOYSA-N 0 0 169.227 2.885 10 30 AFEERN Cc1cc2occ(C)c2c(CC#N)n1 238523660 573820543 /nfs/dbraw/zinc/82/05/43/573820543.db2.gz HLIHIQNQEFQEDB-UHFFFAOYSA-N 0 0 186.214 2.511 10 30 AFEERN CC(C)(C)C1(C#N)CCC(=O)CC1 238136086 573821722 /nfs/dbraw/zinc/82/17/22/573821722.db2.gz SDTBLZUVEQSADD-UHFFFAOYSA-N 0 0 179.263 2.686 10 30 AFEERN Cc1ccc(C#N)c2c(N)csc12 306937988 573821470 /nfs/dbraw/zinc/82/14/70/573821470.db2.gz MDFUKBLBTZSYHT-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C[C@]12CC[C@@H]1CC(=O)C1=C2CCC1 238523579 573821575 /nfs/dbraw/zinc/82/15/75/573821575.db2.gz ZPBNQAGZZSKGFM-PELKAZGASA-N 0 0 176.259 2.856 10 30 AFEERN CC(=O)C1=C(C=C(C)C)C1(C)C 238139359 573821694 /nfs/dbraw/zinc/82/16/94/573821694.db2.gz PSKMWUCPSBUUDQ-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN COc1cc(C)c(SC)cc1C#N 258147790 573821750 /nfs/dbraw/zinc/82/17/50/573821750.db2.gz TUROHYWMLCAOFF-UHFFFAOYSA-N 0 0 193.271 2.597 10 30 AFEERN C[C@@H](F)c1cc(CCC=O)ccc1O 258145483 573821821 /nfs/dbraw/zinc/82/18/21/573821821.db2.gz SYICNJMMUUCUST-MRVPVSSYSA-N 0 0 196.221 2.554 10 30 AFEERN Cc1ccc([C@]2(C#N)CC2(C)C)o1 258963724 573821844 /nfs/dbraw/zinc/82/18/44/573821844.db2.gz HDPYQCAQVWRLKC-LLVKDONJSA-N 0 0 175.231 2.779 10 30 AFEERN CCCCC#CCCCC(C)=O 43502141 573821848 /nfs/dbraw/zinc/82/18/48/573821848.db2.gz ATYYHMMIJZENDH-UHFFFAOYSA-N 0 0 166.264 2.939 10 30 AFEERN CCC(CC)[C@@H](C#N)N1CCCCC1 41049897 573822339 /nfs/dbraw/zinc/82/23/39/573822339.db2.gz YCFUOAYTBIFTGS-GFCCVEGCSA-N 0 0 194.322 2.801 10 30 AFEERN CCO[C@](C)(C=O)CC1CCCCC1 257883449 573821988 /nfs/dbraw/zinc/82/19/88/573821988.db2.gz SIDHLHMUSSTRQA-LBPRGKRZSA-N 0 0 198.306 2.951 10 30 AFEERN N#Cc1ccc2nc3cc[nH]cc-3c2c1 259202955 573824184 /nfs/dbraw/zinc/82/41/84/573824184.db2.gz BFMQZPVWRJSCRZ-UHFFFAOYSA-N 0 0 193.209 2.588 10 30 AFEERN C=C(C)[C@@H]1C[C@@H]2C(=O)CCC[C@H]21 238129536 573824206 /nfs/dbraw/zinc/82/42/06/573824206.db2.gz GSTWNIUVYCVLRM-GUBZILKMSA-N 0 0 164.248 2.568 10 30 AFEERN CC[C@@]1(c2ccccc2)C[C@@H]1C=O 257884900 573823987 /nfs/dbraw/zinc/82/39/87/573823987.db2.gz MMLVHGDCSXZRAK-NEPJUHHUSA-N 0 0 174.243 2.553 10 30 AFEERN Cc1ccc([C@@H]2SC=CC2=O)cc1 238525254 573824099 /nfs/dbraw/zinc/82/40/99/573824099.db2.gz FMRRWVHWKAWGPA-NSHDSACASA-N 0 0 190.267 2.866 10 30 AFEERN C#CC(C)(C)C[C@H](O)c1ccccc1 238129215 573824139 /nfs/dbraw/zinc/82/41/39/573824139.db2.gz RVCQNGRSXNSCEU-LBPRGKRZSA-N 0 0 188.270 2.770 10 30 AFEERN CCCC1CCC(CNCC#N)CC1 308750150 573825214 /nfs/dbraw/zinc/82/52/14/573825214.db2.gz UCUJCZMTHQOECS-UHFFFAOYSA-N 0 0 194.322 2.706 10 30 AFEERN CC[C@]1(c2cccc(F)c2)C[C@@H]1C=O 257884554 573825150 /nfs/dbraw/zinc/82/51/50/573825150.db2.gz VZLKRVHGOOIQSO-ZYHUDNBSSA-N 0 0 192.233 2.692 10 30 AFEERN C=C(C)[C@H](O)C(F)(F)c1ccccc1 238140015 573825164 /nfs/dbraw/zinc/82/51/64/573825164.db2.gz VUDLFLLMYAKAHZ-JTQLQIEISA-N 0 0 198.212 2.715 10 30 AFEERN CCO[C@@](C)(CC=O)CC1CCC1 257884891 573826863 /nfs/dbraw/zinc/82/68/63/573826863.db2.gz MLTHGDJXIXXFDL-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN CCCCCC[C@@H](C)N[C@@H](C)C#N 43515447 573826870 /nfs/dbraw/zinc/82/68/70/573826870.db2.gz UQMXPTAKLGDKAE-MNOVXSKESA-N 0 0 182.311 2.847 10 30 AFEERN Cc1cc(F)c([C@@H](C)C=O)cc1F 87220711 573826909 /nfs/dbraw/zinc/82/69/09/573826909.db2.gz FNLZRMARGUSNNE-ZETCQYMHSA-N 0 0 184.185 2.576 10 30 AFEERN CC(C)CCC[C@H](C)N[C@H](C)C#N 43515419 573826951 /nfs/dbraw/zinc/82/69/51/573826951.db2.gz FLPOKXVNHNNMEH-WDEREUQCSA-N 0 0 182.311 2.703 10 30 AFEERN Cc1cc(F)c([C@@H](C)C#N)cc1F 87220054 573828143 /nfs/dbraw/zinc/82/81/43/573828143.db2.gz MWOGMBSEFAILQU-ZETCQYMHSA-N 0 0 181.185 2.900 10 30 AFEERN CCCC[C@H](C#N)N1CCCCC1 41053501 573828189 /nfs/dbraw/zinc/82/81/89/573828189.db2.gz ZZEUIZSEPAJSIX-LLVKDONJSA-N 0 0 180.295 2.555 10 30 AFEERN C=C(C)[C@@H]([NH2+]CC)c1coc(C)c1 131400763 573828286 /nfs/dbraw/zinc/82/82/86/573828286.db2.gz IQYGOGOEHUKYDS-LLVKDONJSA-N 0 0 179.263 2.815 10 30 AFEERN C=C(C)[C@H]1C[C@@H]1C(=O)C(C)(C)C 238149334 573828291 /nfs/dbraw/zinc/82/82/91/573828291.db2.gz IEMQHTRDUVAQJC-BDAKNGLRSA-N 0 0 166.264 2.814 10 30 AFEERN C#CC(C)(C)C(=O)CC=C(C)C 238140516 573828300 /nfs/dbraw/zinc/82/83/00/573828300.db2.gz YGZIAZLANQKRKV-UHFFFAOYSA-N 0 0 164.248 2.571 10 30 AFEERN Cc1cc(F)c(C)c(CCC=O)c1F 258143075 573828470 /nfs/dbraw/zinc/82/84/70/573828470.db2.gz STGYNTMQEOBTLV-UHFFFAOYSA-N 0 0 198.212 2.713 10 30 AFEERN CCCC[C@H](C#N)N1CCCCCC1 41053505 573828663 /nfs/dbraw/zinc/82/86/63/573828663.db2.gz HPECYOKPPVSGJZ-GFCCVEGCSA-N 0 0 194.322 2.945 10 30 AFEERN CCCC[C@@H](C#N)NC1CCCC1 41053316 573828723 /nfs/dbraw/zinc/82/87/23/573828723.db2.gz HTAOAXHBMUJKDF-NSHDSACASA-N 0 0 180.295 2.601 10 30 AFEERN Cc1ccc2c(c1C)C(=O)C=C2 238527058 573828767 /nfs/dbraw/zinc/82/87/67/573828767.db2.gz LNQVEMCSNQNRMT-UHFFFAOYSA-N 0 0 158.200 2.513 10 30 AFEERN CC1=CC(=O)[C@@H](CC(C)C)CC1 238147781 573828770 /nfs/dbraw/zinc/82/87/70/573828770.db2.gz NOFZAMPIPNWERD-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=CCN(C)c1ccccc1C(C)=O 131399203 573828798 /nfs/dbraw/zinc/82/87/98/573828798.db2.gz BAENQFINSJMXMB-UHFFFAOYSA-N 0 0 189.258 2.511 10 30 AFEERN C=C(C)[C@H]([NH2+]CC)c1coc(C)c1 131400988 573829388 /nfs/dbraw/zinc/82/93/88/573829388.db2.gz IQYGOGOEHUKYDS-NSHDSACASA-N 0 0 179.263 2.815 10 30 AFEERN C=C(CC=O)Cc1ccc(C)cc1 258142798 573829054 /nfs/dbraw/zinc/82/90/54/573829054.db2.gz JVSARVXAKMYEMG-UHFFFAOYSA-N 0 0 174.243 2.683 10 30 AFEERN CC(C)C[C@@H](C)CC#N 84327151 573829140 /nfs/dbraw/zinc/82/91/40/573829140.db2.gz PLOIXTARDKUIKQ-QMMMGPOBSA-N 0 0 125.215 2.582 10 30 AFEERN CCCNN=C(C)CCC(F)(F)F 308446071 573829158 /nfs/dbraw/zinc/82/91/58/573829158.db2.gz BFQNVUPUJAAETB-UHFFFAOYSA-N 0 0 196.216 2.704 10 30 AFEERN Cc1ccc(C(F)(F)C=O)c(C)c1 257886224 573829206 /nfs/dbraw/zinc/82/92/06/573829206.db2.gz MPGFRNKNTWUQTG-UHFFFAOYSA-N 0 0 184.185 2.594 10 30 AFEERN CC1=CC(=O)[C@@H](CC(C)C)C1 238147332 573832700 /nfs/dbraw/zinc/83/27/00/573832700.db2.gz GXJWEFVYPWKGBL-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@H](N[C@H](C)C#N)c1cccs1 43515518 573832729 /nfs/dbraw/zinc/83/27/29/573832729.db2.gz SIZSEJURXGGMHX-BDAKNGLRSA-N 0 0 194.303 2.701 10 30 AFEERN O=C[C@@H]1C=Cc2cc(Cl)ccc21 238533079 573832748 /nfs/dbraw/zinc/83/27/48/573832748.db2.gz QSEPREWHQOPEKS-QMMMGPOBSA-N 0 0 178.618 2.649 10 30 AFEERN C=C(C)c1cc(C)ccc1C=O 238156943 573832773 /nfs/dbraw/zinc/83/27/73/573832773.db2.gz GOAIHMFKVLYXPI-UHFFFAOYSA-N 0 0 160.216 2.841 10 30 AFEERN C=C(C)[C@H]1CCC[C@H]1C(C)=O 238146316 573832782 /nfs/dbraw/zinc/83/27/82/573832782.db2.gz VMQWZLZCHDKQPP-ZJUUUORDSA-N 0 0 152.237 2.568 10 30 AFEERN O=CC[C@H]1OCc2cc(Cl)ccc21 238532954 573832795 /nfs/dbraw/zinc/83/27/95/573832795.db2.gz IGHJQKHBPKNOCC-SNVBAGLBSA-N 0 0 196.633 2.500 10 30 AFEERN Cc1cc(-c2ccccc2)c(C#N)[nH]1 238533132 573832834 /nfs/dbraw/zinc/83/28/34/573832834.db2.gz XTFOLDKGJJBEPN-UHFFFAOYSA-N 0 0 182.226 2.862 10 30 AFEERN Cc1ccc(CNCS)c(C)c1C 258961512 573832856 /nfs/dbraw/zinc/83/28/56/573832856.db2.gz SYPYNFMIGHIREF-UHFFFAOYSA-N 0 0 195.331 2.589 10 30 AFEERN C=CC(C)(C)CO[C@H](C#N)CC 386639217 573832903 /nfs/dbraw/zinc/83/29/03/573832903.db2.gz IIXUUONSXPBVAE-VIFPVBQESA-N 0 0 167.252 2.517 10 30 AFEERN Cc1cnc(N=[N+]=[N-])c2[nH]ccc12 238532187 573832907 /nfs/dbraw/zinc/83/29/07/573832907.db2.gz VFKNQQLBYNXVGH-UHFFFAOYSA-N 0 0 173.179 2.813 10 30 AFEERN O=C[C@H]1C=Cc2cc(Cl)ccc21 238532868 573832915 /nfs/dbraw/zinc/83/29/15/573832915.db2.gz QSEPREWHQOPEKS-MRVPVSSYSA-N 0 0 178.618 2.649 10 30 AFEERN CCC[C@@H](C)C=NN1CCCCC1 308451025 573832966 /nfs/dbraw/zinc/83/29/66/573832966.db2.gz DKYPQOUEJDZOLU-LLVKDONJSA-N 0 0 182.311 2.894 10 30 AFEERN C/C=C\COC[C@H](CS)CCC 211645098 573832972 /nfs/dbraw/zinc/83/29/72/573832972.db2.gz MEIKNFNYOGEWRS-TZGMSPROSA-N 0 0 188.336 2.925 10 30 AFEERN C=C(C)[C@@H]1CC(=O)[C@H](C(=C)C)C1 238149175 573833035 /nfs/dbraw/zinc/83/30/35/573833035.db2.gz HMLFHLREGUXYEW-UWVGGRQHSA-N 0 0 164.248 2.734 10 30 AFEERN CC(=O)C1=CC[C@H](CC(C)C)C1 238147526 573833097 /nfs/dbraw/zinc/83/30/97/573833097.db2.gz HKVLJAMRZROXTM-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=CC[C@@]1(C(=C)C)CCCC1=O 238154023 573833107 /nfs/dbraw/zinc/83/31/07/573833107.db2.gz SDDREIJBSYMMCJ-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN Cc1c(N)cc(C#N)c2sccc12 306725909 573833113 /nfs/dbraw/zinc/83/31/13/573833113.db2.gz YFHGRLWMYVZSEH-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C[C@@H](C#N)OC[C@H]1CC=CC[C@@H]1C 43522672 573833129 /nfs/dbraw/zinc/83/31/29/573833129.db2.gz CAKAWGOKTOXTIV-GARJFASQSA-N 0 0 179.263 2.517 10 30 AFEERN C=C(CO)c1c(C)cc(C)cc1C 238533762 573833191 /nfs/dbraw/zinc/83/31/91/573833191.db2.gz DWQDOYKAFNKWRM-UHFFFAOYSA-N 0 0 176.259 2.617 10 30 AFEERN O=C1C=CO[C@@H](C2CCCCCC2)C1 84330564 573833388 /nfs/dbraw/zinc/83/33/88/573833388.db2.gz ABCAYOICCMEMHY-GFCCVEGCSA-N 0 0 194.274 2.829 10 30 AFEERN CON=C/C(C)=C\c1ccccc1 308451031 573833389 /nfs/dbraw/zinc/83/33/89/573833389.db2.gz DLFQFEIMQPVUIU-RUKPKDLFSA-N 0 0 175.231 2.722 10 30 AFEERN CC[C@@H](C#N)c1cc(F)ccc1F 84335962 573833426 /nfs/dbraw/zinc/83/34/26/573833426.db2.gz FNVPQIAFUNQMGR-ZETCQYMHSA-N 0 0 181.185 2.982 10 30 AFEERN C[C@@]1(c2cccc(Cl)c2)C[C@@H]1C=O 257885248 573833503 /nfs/dbraw/zinc/83/35/03/573833503.db2.gz WCJJZDMAYOSFKO-KOLCDFICSA-N 0 0 194.661 2.817 10 30 AFEERN CC(C)[C@]1(C#N)CC1(C)C 259010412 573833597 /nfs/dbraw/zinc/83/35/97/573833597.db2.gz OAQQARNHRLIADR-SECBINFHSA-N 0 0 137.226 2.582 10 30 AFEERN CC1CCC(C(=O)CCC#N)CC1 84331077 573833666 /nfs/dbraw/zinc/83/36/66/573833666.db2.gz CBIXLNOGBHXUHE-UHFFFAOYSA-N 0 0 179.263 2.686 10 30 AFEERN Cc1cc(F)ccc1CCCC#N 238532634 573833792 /nfs/dbraw/zinc/83/37/92/573833792.db2.gz DOVCMXQTNVXPMU-UHFFFAOYSA-N 0 0 177.222 2.980 10 30 AFEERN CC1CCC([C@@H](C#N)NC(C)C)CC1 84339561 573833810 /nfs/dbraw/zinc/83/38/10/573833810.db2.gz GYRLUNZEZGKYAT-HTAVTVPLSA-N 0 0 194.322 2.703 10 30 AFEERN CC[C@H](N[C@@H](C)C#N)c1cccs1 43515516 573833960 /nfs/dbraw/zinc/83/39/60/573833960.db2.gz SIZSEJURXGGMHX-IUCAKERBSA-N 0 0 194.303 2.701 10 30 AFEERN CC1CCC(C(=O)[C@H](C)CC#N)CC1 84331081 573833977 /nfs/dbraw/zinc/83/39/77/573833977.db2.gz MJKWVTNEFBEDDK-HSOILSAZSA-N 0 0 193.290 2.932 10 30 AFEERN Cc1cc(F)ccc1C1(C#N)CC1 238532401 573834073 /nfs/dbraw/zinc/83/40/73/573834073.db2.gz NHMQTROUGKPORF-UHFFFAOYSA-N 0 0 175.206 2.689 10 30 AFEERN C=C(CC(=O)OC)CC(C)(C)C 258151734 573834116 /nfs/dbraw/zinc/83/41/16/573834116.db2.gz KKYHHHQRLCDAFB-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=CC(C)(C)C[C@@H](O)C(=C)C 238140413 573834439 /nfs/dbraw/zinc/83/44/39/573834439.db2.gz ZFWSYKBNZRIFLB-SECBINFHSA-N 0 0 154.253 2.526 10 30 AFEERN O=CC[C@@H]1OCc2cc(Cl)ccc21 238533131 573834248 /nfs/dbraw/zinc/83/42/48/573834248.db2.gz IGHJQKHBPKNOCC-JTQLQIEISA-N 0 0 196.633 2.500 10 30 AFEERN C=C(C)[C@]1(C)COc2ccccc2N1 238155044 573834285 /nfs/dbraw/zinc/83/42/85/573834285.db2.gz KLVSDQQBZMSJPA-LBPRGKRZSA-N 0 0 189.258 2.826 10 30 AFEERN C=CC[C@H](C)[C@H](O)[C@H]1C[C@H]1C1CC1 715023914 573834380 /nfs/dbraw/zinc/83/43/80/573834380.db2.gz PSOWBSKJRAVKLW-VGDYDELISA-N 0 0 180.291 2.606 10 30 AFEERN CC(C)(C)Cc1ccc(O)c(C#N)c1 258152950 573836725 /nfs/dbraw/zinc/83/67/25/573836725.db2.gz UGVILPVUOSRGRX-UHFFFAOYSA-N 0 0 189.258 2.852 10 30 AFEERN C=CC[C@H](C)[C@@H](O)[C@@H]1C[C@@H]2C[C@@H]2C1 715024959 573837163 /nfs/dbraw/zinc/83/71/63/573837163.db2.gz VZHRVTLTJDYQFC-PREPNJAASA-N 0 0 180.291 2.606 10 30 AFEERN N#Cc1cc(Cl)cc2cc[nH]c12 238533631 573836103 /nfs/dbraw/zinc/83/61/03/573836103.db2.gz UOEGWHNJXPGDRT-UHFFFAOYSA-N 0 0 176.606 2.693 10 30 AFEERN CC(=O)C1=C[C@H](CC(C)C)CC1 238155863 573836119 /nfs/dbraw/zinc/83/61/19/573836119.db2.gz GLCVOAUEBOGJMI-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN Cn1cc(CS)c2c(F)cccc21 258965472 573836126 /nfs/dbraw/zinc/83/61/26/573836126.db2.gz XXBKKYYNQCPVJO-UHFFFAOYSA-N 0 0 195.262 2.747 10 30 AFEERN CC(C)(C=O)C1C=CC=CC=C1 238156108 573836147 /nfs/dbraw/zinc/83/61/47/573836147.db2.gz ZQDGBWLUYDWSPM-UHFFFAOYSA-N 0 0 162.232 2.510 10 30 AFEERN CC[C@@H](C#N)N[C@H](C)c1ccc(C)o1 43540741 573836150 /nfs/dbraw/zinc/83/61/50/573836150.db2.gz QXEXPABETGBUJZ-ZJUUUORDSA-N 0 0 192.262 2.541 10 30 AFEERN C=C(C)[C@]1(C)CC[C@]2(C)C[C@@H]2C1=O 238155018 573836413 /nfs/dbraw/zinc/83/64/13/573836413.db2.gz QGJSOUJZDPPLBM-JLLWLGSASA-N 0 0 178.275 2.958 10 30 AFEERN N#Cc1cc(Cl)cc2occc12 238533763 573836430 /nfs/dbraw/zinc/83/64/30/573836430.db2.gz QULUJEMYIOMIFT-UHFFFAOYSA-N 0 0 177.590 2.958 10 30 AFEERN CC(C)c1cc(O)cc(CCC=O)c1 258152907 573836645 /nfs/dbraw/zinc/83/66/45/573836645.db2.gz UFKLPRFUURQDGD-UHFFFAOYSA-N 0 0 192.258 2.647 10 30 AFEERN CC1=CC(=O)[C@H](CC(C)C)C1 238155602 573836656 /nfs/dbraw/zinc/83/66/56/573836656.db2.gz GXJWEFVYPWKGBL-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN CC[C@H](C)[C@H]1CC[C@H]([NH2+]CCC#N)C1 308762487 573836965 /nfs/dbraw/zinc/83/69/65/573836965.db2.gz YQLQZWCQAVRJSN-SRVKXCTJSA-N 0 0 194.322 2.704 10 30 AFEERN C=C[C@@H]1CC[C@@H]2C=CC(=O)[C@@]2(C)C1 238531822 573836997 /nfs/dbraw/zinc/83/69/97/573836997.db2.gz ZBIDKYCUSMQSCB-FOGDFJRCSA-N 0 0 176.259 2.734 10 30 AFEERN C=CC[C@H](C)[C@H](O)[C@@H]1C[C@H]1C1CC1 715023913 573837006 /nfs/dbraw/zinc/83/70/06/573837006.db2.gz PSOWBSKJRAVKLW-IXLVHKGHSA-N 0 0 180.291 2.606 10 30 AFEERN CC1=CCC[C@@H](CC(C)C)C1=O 238156052 573837026 /nfs/dbraw/zinc/83/70/26/573837026.db2.gz GGPMXCVPEGKTGR-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)=CC[C@@H]1CCC=CC1=O 238155139 573837030 /nfs/dbraw/zinc/83/70/30/573837030.db2.gz UPYOTWCFEVGDHZ-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C[C@]1(c2cc(F)ccc2F)C[C@H]1C#N 258965974 573837065 /nfs/dbraw/zinc/83/70/65/573837065.db2.gz HMPSEFVAJLKVNP-CPCISQLKSA-N 0 0 193.196 2.766 10 30 AFEERN CC1CCC([C@H](C#N)NC(C)C)CC1 84339562 573837100 /nfs/dbraw/zinc/83/71/00/573837100.db2.gz GYRLUNZEZGKYAT-MCIGGMRASA-N 0 0 194.322 2.703 10 30 AFEERN CC1CCC(C(=O)[C@@H](C)CC#N)CC1 84331079 573837190 /nfs/dbraw/zinc/83/71/90/573837190.db2.gz MJKWVTNEFBEDDK-YVNMAJEFSA-N 0 0 193.290 2.932 10 30 AFEERN CC[C@H](C)[C@@H]1CC[C@H]([NH2+]CCC#N)C1 308762488 573837211 /nfs/dbraw/zinc/83/72/11/573837211.db2.gz YQLQZWCQAVRJSN-TUAOUCFPSA-N 0 0 194.322 2.704 10 30 AFEERN CC1CCC(C(=O)C[C@H](C)C#N)CC1 84331086 573837215 /nfs/dbraw/zinc/83/72/15/573837215.db2.gz SBVNCJGCDCMDRG-YVNMAJEFSA-N 0 0 193.290 2.932 10 30 AFEERN CC1=CC(=O)[C@H](CC(C)C)CC1 238155915 573837250 /nfs/dbraw/zinc/83/72/50/573837250.db2.gz NOFZAMPIPNWERD-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@H](C#N)NCCC1CCCCC1 43540383 573838175 /nfs/dbraw/zinc/83/81/75/573838175.db2.gz LECCJZIKOOFDMU-GFCCVEGCSA-N 0 0 194.322 2.849 10 30 AFEERN C[C@@H](C#N)c1ccc(N)c(Cl)c1 100989755 573838200 /nfs/dbraw/zinc/83/82/00/573838200.db2.gz BYIAXYDGCMFCPN-LURJTMIESA-N 0 0 180.638 2.549 10 30 AFEERN CC[C@@H](C#N)N[C@@H](C)c1cccs1 43540038 573838416 /nfs/dbraw/zinc/83/84/16/573838416.db2.gz GTGAVUGQSLIRAL-IUCAKERBSA-N 0 0 194.303 2.701 10 30 AFEERN CC(C)C[C@H]1[C@H](C=O)C1(C)C 238157985 573839241 /nfs/dbraw/zinc/83/92/41/573839241.db2.gz FPTZNDPEOJSRNC-IUCAKERBSA-N 0 0 154.253 2.504 10 30 AFEERN C=CC[C@H](C)[C@@H](O)c1cocc1C 715025211 573839364 /nfs/dbraw/zinc/83/93/64/573839364.db2.gz XIZKMAHRLNGEAT-GZMMTYOYSA-N 0 0 180.247 2.834 10 30 AFEERN CC/C=C/C(=O)CCC1CCOCC1 308758309 573839429 /nfs/dbraw/zinc/83/94/29/573839429.db2.gz XABDCCHJKYVBPU-ONEGZZNKSA-N 0 0 196.290 2.729 10 30 AFEERN Cc1cc(C#N)c2ccccc2c1O 238534589 573839511 /nfs/dbraw/zinc/83/95/11/573839511.db2.gz MWNWJGZFTMDUBJ-UHFFFAOYSA-N 0 0 183.210 2.726 10 30 AFEERN C[C@H](CC=O)c1ccc2cnoc2c1 258150435 573839591 /nfs/dbraw/zinc/83/95/91/573839591.db2.gz TYLPSFWMASYQOM-MRVPVSSYSA-N 0 0 189.214 2.520 10 30 AFEERN Cc1cc(C)c(C(F)F)c(C#N)n1 238534922 573839636 /nfs/dbraw/zinc/83/96/36/573839636.db2.gz JBHBXLGEXOPTOV-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN N#Cc1cc(Cl)cc2cnsc12 238534056 573839653 /nfs/dbraw/zinc/83/96/53/573839653.db2.gz ZXUDSOFZFQBWSO-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)c1cocc1C 715025214 573839655 /nfs/dbraw/zinc/83/96/55/573839655.db2.gz XIZKMAHRLNGEAT-LDYMZIIASA-N 0 0 180.247 2.834 10 30 AFEERN C#C[C@H](O)c1ccc(F)cc1C(=C)C 238157196 573839700 /nfs/dbraw/zinc/83/97/00/573839700.db2.gz IPFOLAWZSSAJEY-LBPRGKRZSA-N 0 0 190.217 2.525 10 30 AFEERN CCCc1ccc(N(C)CS)cc1 258968523 573841144 /nfs/dbraw/zinc/84/11/44/573841144.db2.gz UTCSHHYDLRROJI-UHFFFAOYSA-N 0 0 195.331 2.963 10 30 AFEERN C=C(C)c1cccc2[nH]c(=O)ccc12 238158545 573840673 /nfs/dbraw/zinc/84/06/73/573840673.db2.gz HUABTFXLRVDXCL-UHFFFAOYSA-N 0 0 185.226 2.561 10 30 AFEERN C[C@H]1C[C@@]1(C#N)c1ccc2ncoc2c1 258967154 573840695 /nfs/dbraw/zinc/84/06/95/573840695.db2.gz HOTRZTNDKKDVHW-UFBFGSQYSA-N 0 0 198.225 2.629 10 30 AFEERN Cc1ccc(C(F)(F)CCC#N)o1 258967022 573840703 /nfs/dbraw/zinc/84/07/03/573840703.db2.gz HNPCZFUMKKEJQY-UHFFFAOYSA-N 0 0 185.173 2.984 10 30 AFEERN CC[C@H](C#N)N[C@H](C)c1cccs1 43540041 573841587 /nfs/dbraw/zinc/84/15/87/573841587.db2.gz GTGAVUGQSLIRAL-RKDXNWHRSA-N 0 0 194.303 2.701 10 30 AFEERN CC(=O)/C=C\c1cncc2ccccc12 308760867 573840717 /nfs/dbraw/zinc/84/07/17/573840717.db2.gz MGCOIUYWHBCDFA-SREVYHEPSA-N 0 0 197.237 2.837 10 30 AFEERN C[C@@H]1CCC[C@H](C(=O)CCC#N)C1 84341489 573840765 /nfs/dbraw/zinc/84/07/65/573840765.db2.gz ZVEPAYVKGDHGTF-ZJUUUORDSA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)[C@@H](C#N)C1(C(C)(C)C)COC1 259208295 573840793 /nfs/dbraw/zinc/84/07/93/573840793.db2.gz LGSRGGYDPKZUGE-SNVBAGLBSA-N 0 0 195.306 2.845 10 30 AFEERN CC1CCC([C@@H]2CC(=O)C=CO2)CC1 84340013 573840834 /nfs/dbraw/zinc/84/08/34/573840834.db2.gz AAKPABNRWUFPMH-CBINBANVSA-N 0 0 194.274 2.684 10 30 AFEERN C[C@@H]1CCC[C@@H]([C@@H]2CC(=O)C=CO2)C1 84346780 573840882 /nfs/dbraw/zinc/84/08/82/573840882.db2.gz MPMCRJHIJQHRCP-FOGDFJRCSA-N 0 0 194.274 2.684 10 30 AFEERN Cc1cc(C)c(C(F)F)nc1C#N 238535405 573840883 /nfs/dbraw/zinc/84/08/83/573840883.db2.gz CTXLLMFXUJOUOV-UHFFFAOYSA-N 0 0 182.173 2.508 10 30 AFEERN C=CC1CCC(C)CC1 84340109 573840929 /nfs/dbraw/zinc/84/09/29/573840929.db2.gz LPSKSLRGCHZEDL-UHFFFAOYSA-N 0 0 124.227 2.999 10 30 AFEERN C[C@@]1(C(=O)C2=CCCCC2)CCCO1 87229791 573841133 /nfs/dbraw/zinc/84/11/33/573841133.db2.gz BEWOEMFKWXNLQS-LBPRGKRZSA-N 0 0 194.274 2.625 10 30 AFEERN CC1=CC(=O)[C@H](C)C[C@H]1C(C)C 238158486 573841225 /nfs/dbraw/zinc/84/12/25/573841225.db2.gz MKMPEIWKUBXRLV-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN N#CCc1noc2cc(Cl)ccc12 238535532 573841306 /nfs/dbraw/zinc/84/13/06/573841306.db2.gz GMFYERKJBIRROI-UHFFFAOYSA-N 0 0 192.605 2.547 10 30 AFEERN Cc1cccc(O)c1C(C)(C)S 238534847 573841337 /nfs/dbraw/zinc/84/13/37/573841337.db2.gz BLFBCPOBXDVGGM-UHFFFAOYSA-N 0 0 182.288 2.866 10 30 AFEERN N#CCc1c(Cl)ccc2[nH]ccc12 238534043 573841443 /nfs/dbraw/zinc/84/14/43/573841443.db2.gz HUDZAMUDHSMVDG-UHFFFAOYSA-N 0 0 190.633 2.887 10 30 AFEERN Cc1cc(C#N)c2[nH]c(C)cc2c1 238534248 573841470 /nfs/dbraw/zinc/84/14/70/573841470.db2.gz BCGKLBIVCSVSQD-UHFFFAOYSA-N 0 0 170.215 2.656 10 30 AFEERN C=C(C)c1ccc(C#N)s1 238157389 573841616 /nfs/dbraw/zinc/84/16/16/573841616.db2.gz UZWJXTKWXVIAAC-UHFFFAOYSA-N 0 0 149.218 2.653 10 30 AFEERN C[C@H]1C[C@]1(C#N)c1ccc2ncoc2c1 258967152 573842528 /nfs/dbraw/zinc/84/25/28/573842528.db2.gz HOTRZTNDKKDVHW-QPUJVOFHSA-N 0 0 198.225 2.629 10 30 AFEERN COCc1ccc([C@@H](C)CC=O)cc1 258150445 573842572 /nfs/dbraw/zinc/84/25/72/573842572.db2.gz TYMATIRJXOFDFF-JTQLQIEISA-N 0 0 192.258 2.526 10 30 AFEERN Cc1c(C#N)cccc1OC(C)C 238157555 573842595 /nfs/dbraw/zinc/84/25/95/573842595.db2.gz SKUSNNYFWCEOFK-UHFFFAOYSA-N 0 0 175.231 2.654 10 30 AFEERN C=C(C)c1cccc(C)c1NC=O 238158415 573842623 /nfs/dbraw/zinc/84/26/23/573842623.db2.gz PJPXWUIHGOREOA-UHFFFAOYSA-N 0 0 175.231 2.596 10 30 AFEERN C=C(C)c1cc(C)cc(C)n1 238156904 573842672 /nfs/dbraw/zinc/84/26/72/573842672.db2.gz VOIKKIBNQZVXEJ-UHFFFAOYSA-N 0 0 147.221 2.732 10 30 AFEERN C[C@@H](F)c1cc(F)c(F)c(C#N)c1 258150509 573842780 /nfs/dbraw/zinc/84/27/80/573842780.db2.gz TZPQRYXLCXLBCN-RXMQYKEDSA-N 0 0 185.148 2.867 10 30 AFEERN C[C@@H](CC=O)c1ccc2cnoc2c1 258150438 573842824 /nfs/dbraw/zinc/84/28/24/573842824.db2.gz TYLPSFWMASYQOM-QMMMGPOBSA-N 0 0 189.214 2.520 10 30 AFEERN C(=C\c1ccccc1)\CC[C@@H]1CO1 78684280 573843147 /nfs/dbraw/zinc/84/31/47/573843147.db2.gz FHMWBWRXTUBROP-HXUAIIEXSA-N 0 0 174.243 2.879 10 30 AFEERN C=CC(=O)Nc1ccccc1C(=C)C 238159051 573843163 /nfs/dbraw/zinc/84/31/63/573843163.db2.gz ICSPFJZSTLWGRH-UHFFFAOYSA-N 0 0 187.242 2.844 10 30 AFEERN N#Cc1c(Cl)ccc2ccoc12 238537041 573843282 /nfs/dbraw/zinc/84/32/82/573843282.db2.gz QEUQNUFCDSAQLW-UHFFFAOYSA-N 0 0 177.590 2.958 10 30 AFEERN C#C[C@@H](O)c1ccc(F)cc1C(=C)C 238157214 573843302 /nfs/dbraw/zinc/84/33/02/573843302.db2.gz IPFOLAWZSSAJEY-GFCCVEGCSA-N 0 0 190.217 2.525 10 30 AFEERN C[C@@H]1CCC[C@@H](C(=O)CCC#N)C1 84341495 573843374 /nfs/dbraw/zinc/84/33/74/573843374.db2.gz ZVEPAYVKGDHGTF-NXEZZACHSA-N 0 0 179.263 2.686 10 30 AFEERN CC1CCC([C@H]2CC(=O)C=CO2)CC1 84340014 573843430 /nfs/dbraw/zinc/84/34/30/573843430.db2.gz AAKPABNRWUFPMH-RTYFJBAXSA-N 0 0 194.274 2.684 10 30 AFEERN CC(C)c1cn2ccc(CC#N)cc2n1 214982198 573843569 /nfs/dbraw/zinc/84/35/69/573843569.db2.gz MZODEMHPCDWBBZ-UHFFFAOYSA-N 0 0 199.257 2.524 10 30 AFEERN CCCCN(C1CC1)[C@H](C#N)CC 43556594 573843616 /nfs/dbraw/zinc/84/36/16/573843616.db2.gz FUEMPRBXEBGSPH-JTQLQIEISA-N 0 0 180.295 2.553 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)c1ccc2ncoc2c1 258967148 573843655 /nfs/dbraw/zinc/84/36/55/573843655.db2.gz HOTRZTNDKKDVHW-PELKAZGASA-N 0 0 198.225 2.629 10 30 AFEERN CC[C@@H](C#N)OCc1cccs1 43557432 573843659 /nfs/dbraw/zinc/84/36/59/573843659.db2.gz GWWPOHIHGBJAOR-QMMMGPOBSA-N 0 0 181.260 2.567 10 30 AFEERN CC[C@@H](C#N)N(CC)C1CCCCC1 43556096 573843677 /nfs/dbraw/zinc/84/36/77/573843677.db2.gz DOHLTONTLJOCIH-NSHDSACASA-N 0 0 194.322 2.943 10 30 AFEERN C[C@@H](CC#N)C(=O)[C@@H]1CCC[C@@H](C)C1 84341506 573843684 /nfs/dbraw/zinc/84/36/84/573843684.db2.gz HAZGHCOVTZNGRB-OUAUKWLOSA-N 0 0 193.290 2.932 10 30 AFEERN N#CCc1ccc2c(c1F)CCCC2 258150534 573843714 /nfs/dbraw/zinc/84/37/14/573843714.db2.gz TZTNTXLGGFXDQF-UHFFFAOYSA-N 0 0 189.233 2.771 10 30 AFEERN CC[C@H](C#N)N(CC(C)C)C(C)C 43556765 573843778 /nfs/dbraw/zinc/84/37/78/573843778.db2.gz RPXKSEYSGSUMIO-LLVKDONJSA-N 0 0 182.311 2.655 10 30 AFEERN CC[C@H](C#N)OC[C@H]1CC=CC[C@@H]1C 43557266 573843942 /nfs/dbraw/zinc/84/39/42/573843942.db2.gz HRGQQODMVOCYPT-QJPTWQEYSA-N 0 0 193.290 2.907 10 30 AFEERN CC(C)N[C@H](C#N)[C@@H]1CCC[C@@H](C)C1 84343714 573843813 /nfs/dbraw/zinc/84/38/13/573843813.db2.gz RKOQXYBRIKNNTF-IJLUTSLNSA-N 0 0 194.322 2.703 10 30 AFEERN C(=C\c1ccccc1)\CC[C@H]1CO1 78684284 573843888 /nfs/dbraw/zinc/84/38/88/573843888.db2.gz FHMWBWRXTUBROP-LDJOOVGUSA-N 0 0 174.243 2.879 10 30 AFEERN C[C@@H]1C[C@]1(C#N)c1ccc2ncoc2c1 258967150 573843902 /nfs/dbraw/zinc/84/39/02/573843902.db2.gz HOTRZTNDKKDVHW-PRHODGIISA-N 0 0 198.225 2.629 10 30 AFEERN CC[C@@H](C#N)N(CC)C1CCCC1 43556314 573845670 /nfs/dbraw/zinc/84/56/70/573845670.db2.gz RCJASJIBCDCLKD-JTQLQIEISA-N 0 0 180.295 2.553 10 30 AFEERN CC(C)CC[N@@H+]1C[C@@H](C#N)CC1(C)C 259210068 573844830 /nfs/dbraw/zinc/84/48/30/573844830.db2.gz CNLIQCQXZBJCCQ-LLVKDONJSA-N 0 0 194.322 2.657 10 30 AFEERN C[C@H](CC=O)c1c(F)cccc1F 258158038 573844890 /nfs/dbraw/zinc/84/48/90/573844890.db2.gz UUSPMYHGPLMFJG-SSDOTTSWSA-N 0 0 184.185 2.657 10 30 AFEERN C=C(C)c1csc(C#N)c1 238160075 573844909 /nfs/dbraw/zinc/84/49/09/573844909.db2.gz GLYAYHHMUIZDCO-UHFFFAOYSA-N 0 0 149.218 2.653 10 30 AFEERN CC[C@H](C#N)N(CC)C1CCCCC1 43556098 573845690 /nfs/dbraw/zinc/84/56/90/573845690.db2.gz DOHLTONTLJOCIH-LLVKDONJSA-N 0 0 194.322 2.943 10 30 AFEERN CC(C)[C@H]1CC[C@](C)(C#N)CC1=O 238160514 573845216 /nfs/dbraw/zinc/84/52/16/573845216.db2.gz YXPYNKTVNUNALR-KOLCDFICSA-N 0 0 179.263 2.541 10 30 AFEERN CC[C@H](C#N)N(C)[C@@H](C)C(C)(C)C 43556814 573845395 /nfs/dbraw/zinc/84/53/95/573845395.db2.gz ZVABANDMHFBFPA-VHSXEESVSA-N 0 0 182.311 2.655 10 30 AFEERN CC[C@@H](C#N)OCCCC(C)C 43557234 573845610 /nfs/dbraw/zinc/84/56/10/573845610.db2.gz IMIPOMWVYFZCIP-JTQLQIEISA-N 0 0 169.268 2.741 10 30 AFEERN CC(C)[C@@H]1CC[C@](C)(C#N)CC1=O 238152132 573848600 /nfs/dbraw/zinc/84/86/00/573848600.db2.gz YXPYNKTVNUNALR-ONGXEEELSA-N 0 0 179.263 2.541 10 30 AFEERN Cc1ccc(C)c(C(F)(F)C#N)c1 258970877 573848611 /nfs/dbraw/zinc/84/86/11/573848611.db2.gz IEAHQZUZNNQJOQ-UHFFFAOYSA-N 0 0 181.185 2.919 10 30 AFEERN C=C1[C@H](C(C)C)CC[C@]1(C)CO 238152732 573848612 /nfs/dbraw/zinc/84/86/12/573848612.db2.gz BBVUJICPCDEFJP-WDEREUQCSA-N 0 0 168.280 2.607 10 30 AFEERN C=C(C)[C@H]1N=Nc2ncccc21 238150183 573847993 /nfs/dbraw/zinc/84/79/93/573847993.db2.gz RYWIYUPTPCXKSW-MRVPVSSYSA-N 0 0 159.192 2.796 10 30 AFEERN CC(C)CC[N@@H+]1C[C@H](C#N)CC1(C)C 259210075 573848015 /nfs/dbraw/zinc/84/80/15/573848015.db2.gz CNLIQCQXZBJCCQ-NSHDSACASA-N 0 0 194.322 2.657 10 30 AFEERN CC(C)[C@@H]1CC[C@](C)(C=O)[C@@H]1C 238152322 573848067 /nfs/dbraw/zinc/84/80/67/573848067.db2.gz ODQVKQLDZOXYQO-OUAUKWLOSA-N 0 0 168.280 2.894 10 30 AFEERN CCc1ccc(O[C@@H](C#N)CC)cc1 43556983 573848127 /nfs/dbraw/zinc/84/81/27/573848127.db2.gz AODYQZLVFMNIOS-LLVKDONJSA-N 0 0 189.258 2.930 10 30 AFEERN CC[C@H](C#N)N(CC)C1CCCC1 43556316 573848188 /nfs/dbraw/zinc/84/81/88/573848188.db2.gz RCJASJIBCDCLKD-SNVBAGLBSA-N 0 0 180.295 2.553 10 30 AFEERN C=C(C)[C@@H]1C(=O)[C@@H]2CCCC[C@@H]21 238152477 573848288 /nfs/dbraw/zinc/84/82/88/573848288.db2.gz YCKWHGDODMMJLU-AEJSXWLSSA-N 0 0 164.248 2.568 10 30 AFEERN C=C(C)[C@H]1COc2cc(C)ccc2N1 238151761 573848571 /nfs/dbraw/zinc/84/85/71/573848571.db2.gz WUUBTWHKRCNAHN-LLVKDONJSA-N 0 0 189.258 2.744 10 30 AFEERN C=CC[C@@H]1C(=O)C=C[C@H]1C(C)(C)C 238150153 573848468 /nfs/dbraw/zinc/84/84/68/573848468.db2.gz QXISHMRJXHTEFO-VHSXEESVSA-N 0 0 178.275 2.980 10 30 AFEERN CC[C@@H](C#N)N(C)[C@@H](C)C(C)(C)C 43556812 573848538 /nfs/dbraw/zinc/84/85/38/573848538.db2.gz ZVABANDMHFBFPA-UWVGGRQHSA-N 0 0 182.311 2.655 10 30 AFEERN C=C(C)[C@@]1(C(C)=O)C=CCCC1 238153318 573848684 /nfs/dbraw/zinc/84/86/84/573848684.db2.gz COMCJIYLLKTAMO-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN Cc1cccc(-c2cc(C#N)no2)c1 259209870 573848854 /nfs/dbraw/zinc/84/88/54/573848854.db2.gz ITCGPCFWMOBTPC-UHFFFAOYSA-N 0 0 184.198 2.522 10 30 AFEERN C#C[C@@](C)(C(=C)C)[C@@H]1CCCC1=O 238152528 573849729 /nfs/dbraw/zinc/84/97/29/573849729.db2.gz VXKGNBATPBSSAK-PWSUYJOCSA-N 0 0 176.259 2.571 10 30 AFEERN CC(C)(C)[C@@H]1C=CCC[C@H]1C=O 238150310 573849785 /nfs/dbraw/zinc/84/97/85/573849785.db2.gz YIADKJIDXKZBKB-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1c(C)c(CC#N)c(C)c(C)c1O 238541452 573849793 /nfs/dbraw/zinc/84/97/93/573849793.db2.gz CQJHJTDDCHKCDC-UHFFFAOYSA-N 0 0 189.258 2.692 10 30 AFEERN C=C(C)C[C@H](C)C(=O)O[C@@H](C)CC 308452431 573849797 /nfs/dbraw/zinc/84/97/97/573849797.db2.gz DYEWGSBGPJLCLL-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)[C@H](C)[C@H](O)CC(C)C 238151678 573849935 /nfs/dbraw/zinc/84/99/35/573849935.db2.gz NMYCKFGVTMKWQG-VHSXEESVSA-N 0 0 156.269 2.606 10 30 AFEERN Cc1cc(F)cc2c(CC#N)c[nH]c12 238530878 573849936 /nfs/dbraw/zinc/84/99/36/573849936.db2.gz UDPDPGMPEDGLIZ-UHFFFAOYSA-N 0 0 188.205 2.682 10 30 AFEERN C=C1[C@@H]2C[C@@H]2[C@@]2(C)CC(=O)CC[C@@H]12 238539393 573849977 /nfs/dbraw/zinc/84/99/77/573849977.db2.gz DURAKCDNOJBTJI-BJDJZHNGSA-N 0 0 176.259 2.568 10 30 AFEERN CC(C)C[C@H](CC=O)C(F)F 258437007 573850125 /nfs/dbraw/zinc/85/01/25/573850125.db2.gz DPVUOAWIBQSJDH-ZETCQYMHSA-N 0 0 164.195 2.503 10 30 AFEERN Cc1c(C)c(CC#N)c(C)c(C)c1N 238541422 573850131 /nfs/dbraw/zinc/85/01/31/573850131.db2.gz PJKOPUIPIQGLBE-UHFFFAOYSA-N 0 0 188.274 2.569 10 30 AFEERN C=C1CC(=O)c2cc(C)c(C)cc21 238539592 573850187 /nfs/dbraw/zinc/85/01/87/573850187.db2.gz ZLHQXJJYYKORJI-UHFFFAOYSA-N 0 0 172.227 2.903 10 30 AFEERN C[C@]12CC(=O)C=C1C[C@H]1CCC[C@@H]12 238539378 573850228 /nfs/dbraw/zinc/85/02/28/573850228.db2.gz IAWGFTAJMJWZBL-ZHAHWJHGSA-N 0 0 176.259 2.712 10 30 AFEERN Cc1ccc2c(c1)[C@@H](CC=O)CS2 258161944 573850237 /nfs/dbraw/zinc/85/02/37/573850237.db2.gz ROVAWZUUUDZLBH-VIFPVBQESA-N 0 0 192.283 2.773 10 30 AFEERN Cc1ccc2c(c1)[C@H](CC=O)CS2 258161939 573850398 /nfs/dbraw/zinc/85/03/98/573850398.db2.gz ROVAWZUUUDZLBH-SECBINFHSA-N 0 0 192.283 2.773 10 30 AFEERN CC(C)C[C@@H](CC=O)C(F)F 258437005 573850510 /nfs/dbraw/zinc/85/05/10/573850510.db2.gz DPVUOAWIBQSJDH-SSDOTTSWSA-N 0 0 164.195 2.503 10 30 AFEERN C=C1C(=O)CC[C@H]1C(C)(C)C 238151810 573851528 /nfs/dbraw/zinc/85/15/28/573851528.db2.gz XCCWSMFKVKIQMU-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccc(C#N)c(C(C)(C)C#N)c1 238541700 573851556 /nfs/dbraw/zinc/85/15/56/573851556.db2.gz OHEUUQSKXNLRJX-UHFFFAOYSA-N 0 0 184.242 2.668 10 30 AFEERN C#C[C@@](C)(C(=C)C)[C@H]1CCCC1=O 238152556 573851597 /nfs/dbraw/zinc/85/15/97/573851597.db2.gz VXKGNBATPBSSAK-JQWIXIFHSA-N 0 0 176.259 2.571 10 30 AFEERN C=C(C)[C@]1(C)CC(=O)C1(C)C 238153372 573851693 /nfs/dbraw/zinc/85/16/93/573851693.db2.gz ROGCOZYLYRPFII-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)[C@H](C=C(C)C)C(C)=O 238161202 573851705 /nfs/dbraw/zinc/85/17/05/573851705.db2.gz COCILGUXZQMORH-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN CC(C)N[C@@]1(C#N)CC12CCCCC2 238151614 573851783 /nfs/dbraw/zinc/85/17/83/573851783.db2.gz PYNXKXCDXUKJBU-GFCCVEGCSA-N 0 0 192.306 2.601 10 30 AFEERN Cc1ccc(CC(C)(C)C#N)o1 259210570 573852057 /nfs/dbraw/zinc/85/20/57/573852057.db2.gz SQHXQHPGADDUAL-UHFFFAOYSA-N 0 0 163.220 2.680 10 30 AFEERN C=C1CC[C@H](C)C(C)(C)C1=O 101244501 573852182 /nfs/dbraw/zinc/85/21/82/573852182.db2.gz PDRUOLJDYWQQBO-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@]12CC(=O)C=C1C[C@@H]1CCC[C@@H]12 238539364 573852185 /nfs/dbraw/zinc/85/21/85/573852185.db2.gz IAWGFTAJMJWZBL-UWJYBYFXSA-N 0 0 176.259 2.712 10 30 AFEERN CC(C)[C@H]1C/C(=N\CCO)C[C@@H](C)C1 308454270 573852212 /nfs/dbraw/zinc/85/22/12/573852212.db2.gz URSMHRXQQGQBOQ-HDTCZIKISA-N 0 0 197.322 2.512 10 30 AFEERN Cc1cc2c(s1)CCC=CC2=O 238539667 573852253 /nfs/dbraw/zinc/85/22/53/573852253.db2.gz HQTYMWAOQHLAMS-UHFFFAOYSA-N 0 0 178.256 2.742 10 30 AFEERN COC(C)(C)c1ccc(CC#N)cc1 258163026 573852407 /nfs/dbraw/zinc/85/24/07/573852407.db2.gz VDVFKYTVLBEFEO-UHFFFAOYSA-N 0 0 189.258 2.634 10 30 AFEERN C=C[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1O 238154450 573853437 /nfs/dbraw/zinc/85/34/37/573853437.db2.gz TWBHIBVVCKLFCV-MXWKQRLJSA-N 0 0 182.307 2.996 10 30 AFEERN Cc1c(C(F)F)cnc(CC#N)c1C 238539733 573853509 /nfs/dbraw/zinc/85/35/09/573853509.db2.gz DUSOOSGUXITXCN-UHFFFAOYSA-N 0 0 196.200 2.702 10 30 AFEERN C=CCSCC(=O)[C@H](C)CC 393565414 573854403 /nfs/dbraw/zinc/85/44/03/573854403.db2.gz PNMVPAKNUIUIEE-MRVPVSSYSA-N 0 0 172.293 2.521 10 30 AFEERN CCCn1cccc1/C=C(\C)C(C)=O 308453841 573853755 /nfs/dbraw/zinc/85/37/55/573853755.db2.gz VQOVJMBUXBWHLC-MDZDMXLPSA-N 0 0 191.274 2.890 10 30 AFEERN C=CCN(CC)c1ccccc1C#N 131365712 573853816 /nfs/dbraw/zinc/85/38/16/573853816.db2.gz DSIXBTPARMNHLY-UHFFFAOYSA-N 0 0 186.258 2.571 10 30 AFEERN CC(C)Oc1ccc(Cl)c(C#N)c1 238153967 573854442 /nfs/dbraw/zinc/85/44/42/573854442.db2.gz KTVWWVNTQYUDKS-UHFFFAOYSA-N 0 0 195.649 2.999 10 30 AFEERN N#CC[C@H]1CCc2cc(F)c(F)cc21 238541845 573854349 /nfs/dbraw/zinc/85/43/49/573854349.db2.gz QAIGMTMWTLFOBS-SSDOTTSWSA-N 0 0 193.196 2.908 10 30 AFEERN N#CC1(c2cccc3[nH]ccc23)CC1 238542326 573856075 /nfs/dbraw/zinc/85/60/75/573856075.db2.gz XLGKSGHNNAYBEW-UHFFFAOYSA-N 0 0 182.226 2.723 10 30 AFEERN C=CC(C)(C)[C@@H](O)c1ccco1 238153654 573855416 /nfs/dbraw/zinc/85/54/16/573855416.db2.gz XMTMTOYBFXBYOW-VIFPVBQESA-N 0 0 166.220 2.525 10 30 AFEERN C=CCSCC(=O)[C@@H](C)CC 393565416 573855419 /nfs/dbraw/zinc/85/54/19/573855419.db2.gz PNMVPAKNUIUIEE-QMMMGPOBSA-N 0 0 172.293 2.521 10 30 AFEERN CC1=CC(=O)[C@H](C)C[C@@H]1C(C)C 238166286 573855427 /nfs/dbraw/zinc/85/54/27/573855427.db2.gz MKMPEIWKUBXRLV-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)[C@@H]1CC[C@@]2(C)C(=O)C=C[C@@H]12 238153843 573855617 /nfs/dbraw/zinc/85/56/17/573855617.db2.gz KFKMSLPTABEGAD-JBLDHEPKSA-N 0 0 178.275 2.814 10 30 AFEERN C=CC(C)(C)[C@H](O)c1ccco1 238154475 573855775 /nfs/dbraw/zinc/85/57/75/573855775.db2.gz XMTMTOYBFXBYOW-SECBINFHSA-N 0 0 166.220 2.525 10 30 AFEERN N#CC[C@@H]1CCc2cc(F)c(F)cc21 238541795 573855816 /nfs/dbraw/zinc/85/58/16/573855816.db2.gz QAIGMTMWTLFOBS-ZETCQYMHSA-N 0 0 193.196 2.908 10 30 AFEERN CCC1(CC)CC[N@H+](C[C@@H](C)C#N)C1 87254243 573855886 /nfs/dbraw/zinc/85/58/86/573855886.db2.gz SALLEWLXACEDKY-NSHDSACASA-N 0 0 194.322 2.658 10 30 AFEERN C[C@]12CCC[C@@H]1C(=O)C1=CCC[C@@H]12 238542866 573856053 /nfs/dbraw/zinc/85/60/53/573856053.db2.gz JSTWAEXONDJLQK-HOSYDEDBSA-N 0 0 176.259 2.712 10 30 AFEERN C=CCc1c(C)c(N)c(C)c(C)c1O 238542805 573856089 /nfs/dbraw/zinc/85/60/89/573856089.db2.gz NQOOTNLTBLHINL-UHFFFAOYSA-N 0 0 191.274 2.628 10 30 AFEERN CC(C)=C[C@@H]1[C@H](CC=O)C1(C)C 238166399 573856992 /nfs/dbraw/zinc/85/69/92/573856992.db2.gz TVMAITZPFQIBDY-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@@H](C=C(C)C)C(C)=O 238168487 573859370 /nfs/dbraw/zinc/85/93/70/573859370.db2.gz OQOKXNHVVLHIMH-JTQLQIEISA-N 0 0 152.237 2.734 10 30 AFEERN COc1cccc(F)c1[C@@H](C)CC=O 258158008 573859408 /nfs/dbraw/zinc/85/94/08/573859408.db2.gz UUJJWODYWKERPM-QMMMGPOBSA-N 0 0 196.221 2.527 10 30 AFEERN CC[C@](C)(C#N)CCCCOC 131373146 573859518 /nfs/dbraw/zinc/85/95/18/573859518.db2.gz HPLWFJMCPISNMW-JTQLQIEISA-N 0 0 169.268 2.743 10 30 AFEERN C=C[C@](C)(CC)C(=O)O[C@H](C)CC 308456271 573859525 /nfs/dbraw/zinc/85/95/25/573859525.db2.gz GCMFXPLWLKXTQE-MWLCHTKSSA-N 0 0 184.279 2.930 10 30 AFEERN O=CC[C@@H]1CCC[C@H]1c1ccco1 197061788 573859625 /nfs/dbraw/zinc/85/96/25/573859625.db2.gz AWHBLLHNHARRPL-VHSXEESVSA-N 0 0 178.231 2.752 10 30 AFEERN C=C(C)CC#CC[C@@H](O)C=C(C)C 238169242 573859725 /nfs/dbraw/zinc/85/97/25/573859725.db2.gz LHEPHHIORVHOMG-GFCCVEGCSA-N 0 0 178.275 2.673 10 30 AFEERN C=C=CC(=O)c1ccc(C)c(C)c1 238548265 573859803 /nfs/dbraw/zinc/85/98/03/573859803.db2.gz JWKSPCIRLGWRSV-UHFFFAOYSA-N 0 0 172.227 2.827 10 30 AFEERN N#Cc1cccc2[nH]c(C3CCC3)nc12 131367211 573860113 /nfs/dbraw/zinc/86/01/13/573860113.db2.gz QKSXWJSHVCSBFR-UHFFFAOYSA-N 0 0 197.241 2.702 10 30 AFEERN CC(C)(C)[C@H](C=O)[Si](C)(C)C 238167400 573860145 /nfs/dbraw/zinc/86/01/45/573860145.db2.gz OOGCOGICKDIITA-QMMMGPOBSA-N 0 0 172.344 2.940 10 30 AFEERN N#CC1(c2ccc3c(c2)CCCN3)CC1 259211201 573860317 /nfs/dbraw/zinc/86/03/17/573860317.db2.gz NVEIUUUKKKXWDS-UHFFFAOYSA-N 0 0 198.269 2.600 10 30 AFEERN C=CC[C@H](C)[C@H](O)CC[C@@H]1CCCO1 715028603 573860338 /nfs/dbraw/zinc/86/03/38/573860338.db2.gz ITFMTLKKMKKJDU-SDDRHHMPSA-N 0 0 198.306 2.519 10 30 AFEERN C=C(CCO)c1ccc(C)c(C)c1 238547223 573860425 /nfs/dbraw/zinc/86/04/25/573860425.db2.gz VNJPKARMYNVANF-UHFFFAOYSA-N 0 0 176.259 2.699 10 30 AFEERN C=C[C@@H](CO)c1c(C)cc(C)cc1C 238546830 573860603 /nfs/dbraw/zinc/86/06/03/573860603.db2.gz FOIKAYQBHUASOQ-LBPRGKRZSA-N 0 0 190.286 2.874 10 30 AFEERN C=C(CC=O)c1cccc(Cl)c1 258156546 573860649 /nfs/dbraw/zinc/86/06/49/573860649.db2.gz KSWKDABIJAGFTO-UHFFFAOYSA-N 0 0 180.634 2.942 10 30 AFEERN CC1=CC(=O)[C@@H](C)C[C@@H]1C(C)C 238169872 573863378 /nfs/dbraw/zinc/86/33/78/573863378.db2.gz MKMPEIWKUBXRLV-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN CC(C)=C[C@H]1[C@@H](CC=O)C1(C)C 238171219 573862419 /nfs/dbraw/zinc/86/24/19/573862419.db2.gz TVMAITZPFQIBDY-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1cccc(C2(C#N)CCC2)c1N 238546442 573862662 /nfs/dbraw/zinc/86/26/62/573862662.db2.gz PSTUXVRVWPKAPO-UHFFFAOYSA-N 0 0 186.258 2.523 10 30 AFEERN C=CC[C@H](C)[C@@](O)(CC)C1CC1 715029138 573862710 /nfs/dbraw/zinc/86/27/10/573862710.db2.gz OQINQZGMHCLSCP-ONGXEEELSA-N 0 0 168.280 2.750 10 30 AFEERN CC(C)=C[C@H]1C[C@@]1(C)CC=O 238170538 573862901 /nfs/dbraw/zinc/86/29/01/573862901.db2.gz JFLXKWNSJRYMHS-VHSXEESVSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)CCc1ccco1 715029152 573863002 /nfs/dbraw/zinc/86/30/02/573863002.db2.gz LOCLEKUOGVFYDF-PWSUYJOCSA-N 0 0 194.274 2.785 10 30 AFEERN C[C@H](C#N)n1ccc2cc(C#N)ccc21 308772658 573863013 /nfs/dbraw/zinc/86/30/13/573863013.db2.gz LQTXMJCHWYYTDW-SECBINFHSA-N 0 0 195.225 2.598 10 30 AFEERN C=CC[C@@H](C)[C@H](CO)c1ccccc1 715029261 573863079 /nfs/dbraw/zinc/86/30/79/573863079.db2.gz MODSRHUQGGRHMG-YPMHNXCESA-N 0 0 190.286 2.975 10 30 AFEERN Cc1ccc([C@H](F)CC=O)cc1 258519095 573863351 /nfs/dbraw/zinc/86/33/51/573863351.db2.gz MBGHSUHLCJCTRN-SNVBAGLBSA-N 0 0 166.195 2.595 10 30 AFEERN C=CC[C@@H](C)[C@@H](CO)c1ccccc1 715029259 573863179 /nfs/dbraw/zinc/86/31/79/573863179.db2.gz MODSRHUQGGRHMG-DGCLKSJQSA-N 0 0 190.286 2.975 10 30 AFEERN Cc1cccc(C2(C#N)CCC2)c1O 238546462 573863238 /nfs/dbraw/zinc/86/32/38/573863238.db2.gz DCIIWPFMCSBLFL-UHFFFAOYSA-N 0 0 187.242 2.646 10 30 AFEERN Cc1cccc([C@@H](N)C(C)(C)C#N)c1 259576616 573863281 /nfs/dbraw/zinc/86/32/81/573863281.db2.gz VWQFBSYVPXKVRU-LLVKDONJSA-N 0 0 188.274 2.545 10 30 AFEERN [N-]=[N+]=Nc1cc2snnc2cc1F 238547063 573863481 /nfs/dbraw/zinc/86/34/81/573863481.db2.gz AWDWUVNQYJJFTJ-UHFFFAOYSA-N 0 0 195.182 2.772 10 30 AFEERN CC(C)C[C@H]1C[C@]1(C)C#N 258975587 573863601 /nfs/dbraw/zinc/86/36/01/573863601.db2.gz IRRVIQIZJDZAGT-DTWKUNHWSA-N 0 0 137.226 2.582 10 30 AFEERN C[C@H](C#N)N(C)C1CCC(C)(C)CC1 87287474 573863668 /nfs/dbraw/zinc/86/36/68/573863668.db2.gz ZGGZFTGZBAZCSH-SNVBAGLBSA-N 0 0 194.322 2.799 10 30 AFEERN Cc1ccc([C@@H](C)CC=O)c(O)c1F 258165736 573863686 /nfs/dbraw/zinc/86/36/86/573863686.db2.gz VKDJOIQRLARYKX-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN Cc1ccc([C@@H](C)C#N)cc1F 87284414 573863687 /nfs/dbraw/zinc/86/36/87/573863687.db2.gz FYYHQIRZCXDHJU-QMMMGPOBSA-N 0 0 163.195 2.761 10 30 AFEERN CC(C)C[C@@H]1C[C@]1(C)C#N 258975596 573863714 /nfs/dbraw/zinc/86/37/14/573863714.db2.gz IRRVIQIZJDZAGT-RKDXNWHRSA-N 0 0 137.226 2.582 10 30 AFEERN CC1(CCC=O)SCCCS1 238170763 573863770 /nfs/dbraw/zinc/86/37/70/573863770.db2.gz WKCVOXPUFXWQIY-UHFFFAOYSA-N 0 0 190.333 2.552 10 30 AFEERN CC(C)=C[C@H]1[C@H](CC=O)C1(C)C 238171678 573863790 /nfs/dbraw/zinc/86/37/90/573863790.db2.gz TVMAITZPFQIBDY-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1ccc(C#N)c([C@H]([NH3+])C(C)C)c1 238170134 573863797 /nfs/dbraw/zinc/86/37/97/573863797.db2.gz MTMOZSOXDFUIPS-GFCCVEGCSA-N 0 0 188.274 2.523 10 30 AFEERN CCCCCC[C@@H](C)OCC=O 43803738 573863807 /nfs/dbraw/zinc/86/38/07/573863807.db2.gz YRXAVWPHZCTBOS-SNVBAGLBSA-N 0 0 172.268 2.561 10 30 AFEERN CCCCC(=O)/C=C\[C@@H](O)CCCC 308457312 573863827 /nfs/dbraw/zinc/86/38/27/573863827.db2.gz YEKXENFHUPEWDQ-JUDLJHIGSA-N 0 0 198.306 2.853 10 30 AFEERN CC(C)=C[C@@H]1CC(=O)C=C(C)C1 238170111 573863968 /nfs/dbraw/zinc/86/39/68/573863968.db2.gz RKGRBQFSKLXIIE-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN Cc1ccc([C@@H](F)CC=O)cc1 258519090 573863985 /nfs/dbraw/zinc/86/39/85/573863985.db2.gz MBGHSUHLCJCTRN-JTQLQIEISA-N 0 0 166.195 2.595 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1ccc2ncoc2c1 258973880 573864000 /nfs/dbraw/zinc/86/40/00/573864000.db2.gz IPDPOEIRQREIJV-CABZTGNLSA-N 0 0 198.225 2.845 10 30 AFEERN CC(C)(C#N)CC1CCC(=O)CC1 238162933 573868249 /nfs/dbraw/zinc/86/82/49/573868249.db2.gz XEQKCHZGGKMDBN-UHFFFAOYSA-N 0 0 179.263 2.686 10 30 AFEERN C=C1[C@@H]2C[C@@H]2[C@@]2(C)CCC(=O)C[C@@H]12 238540513 573868502 /nfs/dbraw/zinc/86/85/02/573868502.db2.gz MWMLLAKEUCYVNC-BJDJZHNGSA-N 0 0 176.259 2.568 10 30 AFEERN Cc1ccc([C@H]2SC=CC2=O)cc1 238550230 573870826 /nfs/dbraw/zinc/87/08/26/573870826.db2.gz FMRRWVHWKAWGPA-LLVKDONJSA-N 0 0 190.267 2.866 10 30 AFEERN C#C/C(C)=C\C[C@@H]1CCCC[C@H]1O 393563267 573867719 /nfs/dbraw/zinc/86/77/19/573867719.db2.gz DJSWXBBVAAIAMX-NVSPSJGQSA-N 0 0 178.275 2.507 10 30 AFEERN CC(C)C[C@@H]1C[C@@]1(C)C#N 258975583 573867751 /nfs/dbraw/zinc/86/77/51/573867751.db2.gz IRRVIQIZJDZAGT-BDAKNGLRSA-N 0 0 137.226 2.582 10 30 AFEERN C=C(C)c1cnc2[nH]c(C)cc2c1 238161514 573867820 /nfs/dbraw/zinc/86/78/20/573867820.db2.gz NFLPYDAOXOPRFD-UHFFFAOYSA-N 0 0 172.231 2.904 10 30 AFEERN N=CNc1c(Cl)cccc1Cl 238550368 573870840 /nfs/dbraw/zinc/87/08/40/573870840.db2.gz CJOBVDAKXKNCTF-UHFFFAOYSA-N 0 0 189.045 2.612 10 30 AFEERN CC[C@@H](C)[C@@H](C)n1cccc1C#N 306337476 573868022 /nfs/dbraw/zinc/86/80/22/573868022.db2.gz WQPBYDZZSVOJRS-NXEZZACHSA-N 0 0 176.263 2.967 10 30 AFEERN Cc1c(C#N)ccc2cc(C#N)sc12 306730898 573868113 /nfs/dbraw/zinc/86/81/13/573868113.db2.gz LLHHMHTXGTYEHF-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN CCC#C[C@H](C)[NH2+][C@@H]1Cc2ccccc21 309156004 573868114 /nfs/dbraw/zinc/86/81/14/573868114.db2.gz XJDIVVFPOJBEFX-SMDDNHRTSA-N 0 0 199.297 2.675 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1ccc2ncoc2c1 258973872 573868183 /nfs/dbraw/zinc/86/81/83/573868183.db2.gz IPDPOEIRQREIJV-BXKDBHETSA-N 0 0 198.225 2.845 10 30 AFEERN Cc1cc(C(C)C)c(CC#N)[nH]1 259624133 573868290 /nfs/dbraw/zinc/86/82/90/573868290.db2.gz NUFIEPICHYKHSC-UHFFFAOYSA-N 0 0 162.236 2.513 10 30 AFEERN N#CC(F)(F)c1c[nH]c2ccccc12 258973777 573868310 /nfs/dbraw/zinc/86/83/10/573868310.db2.gz IMROHZQPEMRWFX-UHFFFAOYSA-N 0 0 192.168 2.783 10 30 AFEERN C=C(C)[C@@H](C=C(C)C)CC=O 238161379 573868401 /nfs/dbraw/zinc/86/84/01/573868401.db2.gz GNZDGMNEOLJBBK-SNVBAGLBSA-N 0 0 152.237 2.734 10 30 AFEERN C=C(C)n1c(CO)cc2ccccc21 238162096 573868612 /nfs/dbraw/zinc/86/86/12/573868612.db2.gz CUQNMKMGKDSJCT-UHFFFAOYSA-N 0 0 187.242 2.624 10 30 AFEERN Cc1ccc(C#CC(F)F)cc1 238540721 573868631 /nfs/dbraw/zinc/86/86/31/573868631.db2.gz BFNHRLCVTDAMGZ-UHFFFAOYSA-N 0 0 166.170 2.612 10 30 AFEERN C=C(C)[C@@H](CO)CC/C(C)=C/C 215001312 573868854 /nfs/dbraw/zinc/86/88/54/573868854.db2.gz KJPDSWNQIORONU-IGLBNKAOSA-N 0 0 168.280 2.917 10 30 AFEERN C#Cc1ccc2occ(C)c2c1 238550520 573869343 /nfs/dbraw/zinc/86/93/43/573869343.db2.gz USBKSQRSWKXODM-UHFFFAOYSA-N 0 0 156.184 2.723 10 30 AFEERN C=C(C)c1cnc2[nH]cc(C)c2c1 238161548 573869493 /nfs/dbraw/zinc/86/94/93/573869493.db2.gz YQCVOWNRHAZJKF-UHFFFAOYSA-N 0 0 172.231 2.904 10 30 AFEERN N#CC[C@H]1CCCNc2ccccc21 238549607 573870973 /nfs/dbraw/zinc/87/09/73/573870973.db2.gz NGKNMFPUGYPFOD-SNVBAGLBSA-N 0 0 186.258 2.890 10 30 AFEERN CC(C)[C@@H]1O[C@H](C(C)C)[C@@H](C=O)[C@@H]1C 238172471 573869682 /nfs/dbraw/zinc/86/96/82/573869682.db2.gz FJWLEYPRXNPVPZ-FIQHERPVSA-N 0 0 198.306 2.517 10 30 AFEERN C=CC[C@H](C)[C@H](O)[C@@H]1CC[C@@H]2C[C@@H]2C1 715033679 573869711 /nfs/dbraw/zinc/86/97/11/573869711.db2.gz BULNSSJODIFCAW-CLPYTZEMSA-N 0 0 194.318 2.996 10 30 AFEERN COc1cccc([C@H]2C[C@]2(C)C#N)c1 258977770 573869724 /nfs/dbraw/zinc/86/97/24/573869724.db2.gz JBZYNZXEOLZJBI-VXGBXAGGSA-N 0 0 187.242 2.712 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)CCCSC 715033645 573869784 /nfs/dbraw/zinc/86/97/84/573869784.db2.gz BHGRQGGXONLSCK-ZJUUUORDSA-N 0 0 188.336 2.703 10 30 AFEERN C=C(C)CC#CC[C@H](O)C=C(C)C 238162663 573869787 /nfs/dbraw/zinc/86/97/87/573869787.db2.gz LHEPHHIORVHOMG-LBPRGKRZSA-N 0 0 178.275 2.673 10 30 AFEERN CC1=CC(=O)[C@@H](C)C[C@H]1C(C)C 238161398 573869817 /nfs/dbraw/zinc/86/98/17/573869817.db2.gz MKMPEIWKUBXRLV-UWVGGRQHSA-N 0 0 166.264 2.814 10 30 AFEERN C=CC[C@H](C)[C@H](O)[C@@H]1CC[C@H]2C[C@H]2C1 715033681 573869822 /nfs/dbraw/zinc/86/98/22/573869822.db2.gz BULNSSJODIFCAW-WJTVCTBASA-N 0 0 194.318 2.996 10 30 AFEERN C=CC[C@H](C)[C@H](O)CCCSC 715033643 573869828 /nfs/dbraw/zinc/86/98/28/573869828.db2.gz BHGRQGGXONLSCK-VHSXEESVSA-N 0 0 188.336 2.703 10 30 AFEERN Cc1cc(F)c2[nH]c(C)c(C#N)c2c1 238541137 573869829 /nfs/dbraw/zinc/86/98/29/573869829.db2.gz XGIKACCYWGFXKB-UHFFFAOYSA-N 0 0 188.205 2.796 10 30 AFEERN N#CCc1[nH]ccc1-c1ccccc1 238550177 573869846 /nfs/dbraw/zinc/86/98/46/573869846.db2.gz PDCHBPGMZNEMFU-UHFFFAOYSA-N 0 0 182.226 2.748 10 30 AFEERN C=CC[C@H](C)[C@@H](O)CCCSC 715033642 573869904 /nfs/dbraw/zinc/86/99/04/573869904.db2.gz BHGRQGGXONLSCK-UWVGGRQHSA-N 0 0 188.336 2.703 10 30 AFEERN C=CC(C=C)[C@H](O)c1ccc(F)cc1 238718473 573869916 /nfs/dbraw/zinc/86/99/16/573869916.db2.gz BINJTZDXOOVHIE-LBPRGKRZSA-N 0 0 192.233 2.847 10 30 AFEERN CCc1ccccc1C(F)(F)C=O 257889407 573869922 /nfs/dbraw/zinc/86/99/22/573869922.db2.gz NFQJJSYMAQBUIZ-UHFFFAOYSA-N 0 0 184.185 2.540 10 30 AFEERN C=CCC1=C(C)[C@H](C(C)=O)CC1 238162148 573870025 /nfs/dbraw/zinc/87/00/25/573870025.db2.gz OPGJWFJIUGGBJO-LLVKDONJSA-N 0 0 164.248 2.878 10 30 AFEERN Cc1cc(C#Cc2ccccc2)ccn1 238533569 573870062 /nfs/dbraw/zinc/87/00/62/573870062.db2.gz GIPNUILPWXSELC-UHFFFAOYSA-N 0 0 193.249 2.790 10 30 AFEERN C=C(C)c1cccc2c1CCN2 238161404 573870293 /nfs/dbraw/zinc/87/02/93/573870293.db2.gz RDAJRYOAFSPSPC-UHFFFAOYSA-N 0 0 159.232 2.688 10 30 AFEERN CC(=O)C=C(C)Nc1ccccc1O 101603348 573870334 /nfs/dbraw/zinc/87/03/34/573870334.db2.gz ISNPDXLSMIDYKY-ZUQSVMQASA-N 0 0 191.230 2.946 10 30 AFEERN CC(C)Cc1ccc(C(=O)C#N)cc1 259217159 573870522 /nfs/dbraw/zinc/87/05/22/573870522.db2.gz PUWRVKYYZWWOMG-UHFFFAOYSA-N 0 0 187.242 2.591 10 30 AFEERN CC(C)c1ccc2[nH]cc(C#N)c2n1 259216931 573870620 /nfs/dbraw/zinc/87/06/20/573870620.db2.gz AYBGYLWKPRIBBU-UHFFFAOYSA-N 0 0 185.230 2.558 10 30 AFEERN CCOc1nc2ccccc2cc1C#N 11727676 573870677 /nfs/dbraw/zinc/87/06/77/573870677.db2.gz URLVFZOMLCYOQK-UHFFFAOYSA-N 0 0 198.225 2.505 10 30 AFEERN N#CCCC(F)(F)C1CCC1 258976408 573871942 /nfs/dbraw/zinc/87/19/42/573871942.db2.gz IZIRPPYLMBNTIA-UHFFFAOYSA-N 0 0 159.179 2.726 10 30 AFEERN N#Cc1c(Cl)ccc2sncc12 238541213 573873387 /nfs/dbraw/zinc/87/33/87/573873387.db2.gz OEPONHYPOHLUAI-UHFFFAOYSA-N 0 0 194.646 2.821 10 30 AFEERN C=CC[C@H](C)[C@@]1(O)CCCC12CC2 715038360 573873531 /nfs/dbraw/zinc/87/35/31/573873531.db2.gz HVGBNGWUSXJSBL-JQWIXIFHSA-N 0 0 180.291 2.894 10 30 AFEERN CC(=O)/C=C/[C@H]1CCC[C@@H](C)C1 101512484 573873395 /nfs/dbraw/zinc/87/33/95/573873395.db2.gz PNCFCNDLTOKAEV-CJDYZKGVSA-N 0 0 166.264 2.958 10 30 AFEERN Cc1csc2c(C#N)cc(C#N)cc12 306743423 573873435 /nfs/dbraw/zinc/87/34/35/573873435.db2.gz XFKZMGYIVSHTJA-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN CC(C)(C=O)CCC#C[Si](C)(C)C 238165310 573873638 /nfs/dbraw/zinc/87/36/38/573873638.db2.gz IYSBTAPGAYCXGD-UHFFFAOYSA-N 0 0 196.366 2.873 10 30 AFEERN C/C=C/C(=O)c1ccc(F)c(F)c1 101472289 573873694 /nfs/dbraw/zinc/87/36/94/573873694.db2.gz UKOVCUFAUILQLV-NSCUHMNNSA-N 0 0 182.169 2.724 10 30 AFEERN C=CCC(C)(C)[C@@H]1C=CCC(=S)N1 238164411 573873715 /nfs/dbraw/zinc/87/37/15/573873715.db2.gz XXUKZPMEHPTJAS-VIFPVBQESA-N 0 0 195.331 2.834 10 30 AFEERN C=C[C@@](C)([C@H]1[NH2+]CCS1)C(C)(C)C 238163463 573874789 /nfs/dbraw/zinc/87/47/89/573874789.db2.gz CCJUIOANHZJGMI-ONGXEEELSA-N 0 0 199.363 2.887 10 30 AFEERN Cc1cc(C)c(CCC=O)c(F)c1 235753175 573874745 /nfs/dbraw/zinc/87/47/45/573874745.db2.gz XOLYVVGRCOFWEO-UHFFFAOYSA-N 0 0 180.222 2.574 10 30 AFEERN CC(C)=C[C@@H]1CCCC[C@H]1C=O 238164329 573874803 /nfs/dbraw/zinc/87/48/03/573874803.db2.gz VDLPHYCURXXFJF-QWRGUYRKSA-N 0 0 166.264 2.958 10 30 AFEERN CC(C)(C=O)CC1CCSCC1 238163247 573874807 /nfs/dbraw/zinc/87/48/07/573874807.db2.gz VRKMXPJNQHDFDA-UHFFFAOYSA-N 0 0 186.320 2.745 10 30 AFEERN CC(C)=CC(=O)c1cccc(C)n1 101745367 573876507 /nfs/dbraw/zinc/87/65/07/573876507.db2.gz ZGVLNABHLYOUKB-UHFFFAOYSA-N 0 0 175.231 2.539 10 30 AFEERN Cc1ccc(C(C)(C)C#N)cc1F 238552433 573876522 /nfs/dbraw/zinc/87/65/22/573876522.db2.gz NDCASDKXVBNXRQ-UHFFFAOYSA-N 0 0 177.222 2.935 10 30 AFEERN CCc1nc([C@@H](C#N)C(C)C)cs1 259217623 573876826 /nfs/dbraw/zinc/87/68/26/573876826.db2.gz IJVYSGUQFWTCIX-QMMMGPOBSA-N 0 0 194.303 2.969 10 30 AFEERN O=C(C1=CCC1)c1ccc(F)cc1 238551434 573876882 /nfs/dbraw/zinc/87/68/82/573876882.db2.gz UWUROVMBPMGUIC-UHFFFAOYSA-N 0 0 176.190 2.729 10 30 AFEERN N#CC[C@H]1CCc2cccc(F)c21 238551278 573876891 /nfs/dbraw/zinc/87/68/91/573876891.db2.gz NUEWGGABCXOYFK-SECBINFHSA-N 0 0 175.206 2.769 10 30 AFEERN CC1(C)CC(O)=C(C=O)C(C)(C)C1 238175875 573876970 /nfs/dbraw/zinc/87/69/70/573876970.db2.gz SXLARBHSRUVTLT-SOFGYWHQSA-N 0 0 182.263 2.844 10 30 AFEERN C=CC[C@H](C)[C@H](O)CCC(C)C 715039337 573879151 /nfs/dbraw/zinc/87/91/51/573879151.db2.gz XUUNCLPCDPVJOX-WDEREUQCSA-N 0 0 170.296 2.996 10 30 AFEERN CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1C 131581115 573879947 /nfs/dbraw/zinc/87/99/47/573879947.db2.gz NSOJFCQMQBUGQS-RISCZKNCSA-N 0 0 199.297 2.533 10 30 AFEERN Cc1cnc(-c2ccsc2C#N)o1 259624719 573880179 /nfs/dbraw/zinc/88/01/79/573880179.db2.gz HPKQBZHHLMRGBE-UHFFFAOYSA-N 0 0 190.227 2.583 10 30 AFEERN C=C[C@@H](O)c1ccc(C)cc1Cl 235756995 573881685 /nfs/dbraw/zinc/88/16/85/573881685.db2.gz NJSJUGXOKSDHOO-SNVBAGLBSA-N 0 0 182.650 2.868 10 30 AFEERN COc1ccc([C@@H]2OC2(C)C)cc1F 259217506 573881283 /nfs/dbraw/zinc/88/12/83/573881283.db2.gz JCRHQPFRZAJEFO-JTQLQIEISA-N 0 0 196.221 2.684 10 30 AFEERN CCC#C[C@@]1([Si](C)(C)C)C[C@H]1C=O 238178166 573881422 /nfs/dbraw/zinc/88/14/22/573881422.db2.gz ZKOMBGQACIWBPD-WDEREUQCSA-N 0 0 194.350 2.697 10 30 AFEERN C=C[C@H]1C[C@H]1C1=CC(=O)CC1(C)C 238178672 573881430 /nfs/dbraw/zinc/88/14/30/573881430.db2.gz OYDCFDQVEAXWET-WCBMZHEXSA-N 0 0 176.259 2.734 10 30 AFEERN CCc1cc(OC)c(Cl)cc1C#N 258171127 573881672 /nfs/dbraw/zinc/88/16/72/573881672.db2.gz VVNZPIAHVFCYMD-UHFFFAOYSA-N 0 0 195.649 2.783 10 30 AFEERN CCC#C[C@@H](C)[C@@H](O)C1CCCCC1 238177405 573881599 /nfs/dbraw/zinc/88/15/99/573881599.db2.gz RFZJYKSECXPUJQ-DGCLKSJQSA-N 0 0 194.318 2.977 10 30 AFEERN C=C[C@H](C)c1noc(C(C)(C)F)n1 306342344 573881761 /nfs/dbraw/zinc/88/17/61/573881761.db2.gz ZUGZAWDMOJXGFZ-LURJTMIESA-N 0 0 184.214 2.564 10 30 AFEERN CCC#C[C@@H](C)[C@H](O)C1CCCCC1 238177436 573881793 /nfs/dbraw/zinc/88/17/93/573881793.db2.gz RFZJYKSECXPUJQ-YPMHNXCESA-N 0 0 194.318 2.977 10 30 AFEERN C=CC[C@@H](C)[C@H](O)CCC(C)C 715039322 573881832 /nfs/dbraw/zinc/88/18/32/573881832.db2.gz XUUNCLPCDPVJOX-GHMZBOCLSA-N 0 0 170.296 2.996 10 30 AFEERN N#CC[C@@H]1CCc2c(F)cccc21 238552713 573881914 /nfs/dbraw/zinc/88/19/14/573881914.db2.gz PVHDWZVZTOPQPE-QMMMGPOBSA-N 0 0 175.206 2.769 10 30 AFEERN C=CC[C@H](C)[C@@H](O)[C@@H]1CC1(C)C 715039302 573882194 /nfs/dbraw/zinc/88/21/94/573882194.db2.gz XSZQNKBPVQELEG-LPEHRKFASA-N 0 0 168.280 2.606 10 30 AFEERN C=CC1(CC=O)CCC(C)CC1 238177922 573882276 /nfs/dbraw/zinc/88/22/76/573882276.db2.gz NGDQDPFEZDTRRH-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H](C=O)Cc1ccc(Cl)s1 87337398 573882299 /nfs/dbraw/zinc/88/22/99/573882299.db2.gz RHLNPICHWADWSR-LURJTMIESA-N 0 0 188.679 2.779 10 30 AFEERN CCC#C[C@H](C)[C@@H](O)C1CCCCC1 238178263 573882378 /nfs/dbraw/zinc/88/23/78/573882378.db2.gz RFZJYKSECXPUJQ-WCQYABFASA-N 0 0 194.318 2.977 10 30 AFEERN CC(C)[C@H](C#N)C(=O)C1(C)CCCC1 87316788 573882453 /nfs/dbraw/zinc/88/24/53/573882453.db2.gz TXDPEMNMMVAHSC-JTQLQIEISA-N 0 0 193.290 2.932 10 30 AFEERN CCC1(C(=O)[C@H](C)C#N)CCCC1 87316770 573882649 /nfs/dbraw/zinc/88/26/49/573882649.db2.gz PPSHBRAXVUCNFW-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN CC1=C[C@@H]2CC(=O)C=C[C@@]2(C)CC1 238177970 573882810 /nfs/dbraw/zinc/88/28/10/573882810.db2.gz AGUAUYRVSNRJPA-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)(C)[C@H](O)C#CC[Si](C)(C)C 238178251 573883204 /nfs/dbraw/zinc/88/32/04/573883204.db2.gz GDSUDQZMEIUDSU-SNVBAGLBSA-N 0 0 198.382 2.735 10 30 AFEERN CCC#C[C@@]1([Si](C)(C)C)C[C@@H]1C=O 238178150 573882977 /nfs/dbraw/zinc/88/29/77/573882977.db2.gz ZKOMBGQACIWBPD-GHMZBOCLSA-N 0 0 194.350 2.697 10 30 AFEERN C[C@@H](C=O)Cc1ccc(Cl)s1 87337399 573883210 /nfs/dbraw/zinc/88/32/10/573883210.db2.gz RHLNPICHWADWSR-ZCFIWIBFSA-N 0 0 188.679 2.779 10 30 AFEERN C=C[C@H]1C[C@@H]1C1=CC(=O)CC1(C)C 238178718 573883034 /nfs/dbraw/zinc/88/30/34/573883034.db2.gz OYDCFDQVEAXWET-WPRPVWTQSA-N 0 0 176.259 2.734 10 30 AFEERN CC#CC[NH2+][C@H]1c2ccccc2C[C@@H]1C 131580931 573884937 /nfs/dbraw/zinc/88/49/37/573884937.db2.gz NSOJFCQMQBUGQS-SMDDNHRTSA-N 0 0 199.297 2.533 10 30 AFEERN CC(C)[C@@H](C#N)C(=O)C1(C)CCCC1 87316786 573884953 /nfs/dbraw/zinc/88/49/53/573884953.db2.gz TXDPEMNMMVAHSC-SNVBAGLBSA-N 0 0 193.290 2.932 10 30 AFEERN CC[C@@H]1CC(=O)C=CC1(C)C 145038183 573885102 /nfs/dbraw/zinc/88/51/02/573885102.db2.gz DAWQVYNKSPUVCK-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN Cc1ccccc1C1(C=O)CC(F)C1 257892792 573886786 /nfs/dbraw/zinc/88/67/86/573886786.db2.gz XJKOUBGXMNVIOT-UHFFFAOYSA-N 0 0 192.233 2.564 10 30 AFEERN Cc1ccc(C)c(CN(C)CS)c1 258983906 573887197 /nfs/dbraw/zinc/88/71/97/573887197.db2.gz WQUHURZPHMFUFI-UHFFFAOYSA-N 0 0 195.331 2.623 10 30 AFEERN C#C[C@@H](O)C1=C(C(=C)CC)CCCC1 238182242 573887300 /nfs/dbraw/zinc/88/73/00/573887300.db2.gz JFCUDZJOFSTCDG-CYBMUJFWSA-N 0 0 190.286 2.817 10 30 AFEERN Cc1csc2ccnc(CC#N)c12 238555478 573887427 /nfs/dbraw/zinc/88/74/27/573887427.db2.gz MVOKINACOWDCGY-UHFFFAOYSA-N 0 0 188.255 2.671 10 30 AFEERN C=C(C)[C@@H]1C[C@@H](COC(C)=O)C1(C)C 14659677 573887454 /nfs/dbraw/zinc/88/74/54/573887454.db2.gz XUCVWTVHEYSKFF-QWRGUYRKSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)[C@H](/C=C(\C)CC)CO 238180227 573887492 /nfs/dbraw/zinc/88/74/92/573887492.db2.gz BQBUSRYBEZVQOE-OLKPEBQYSA-N 0 0 154.253 2.527 10 30 AFEERN CC(C)=Nc1c(C#N)ccc(C)c1O 238179206 573887538 /nfs/dbraw/zinc/88/75/38/573887538.db2.gz HUKCABNBTMQDDI-UHFFFAOYSA-N 0 0 188.230 2.685 10 30 AFEERN C=C1C(=O)C[C@H]2[C@H]1C=C(C)C2(C)C 238179874 573887833 /nfs/dbraw/zinc/88/78/33/573887833.db2.gz ZYEHGAUDVAUAGO-UWVGGRQHSA-N 0 0 176.259 2.734 10 30 AFEERN CC(C)C[C@@H](C=O)C(C)C 145043657 573888017 /nfs/dbraw/zinc/88/80/17/573888017.db2.gz KKMKRUNCUTXQPX-VIFPVBQESA-N 0 0 142.242 2.504 10 30 AFEERN CC(C)C[C@H](C)[C@H](C)C=O 238179883 573888023 /nfs/dbraw/zinc/88/80/23/573888023.db2.gz JUQLIMRGTABQBV-DTWKUNHWSA-N 0 0 142.242 2.504 10 30 AFEERN CC(C)C(F)(F)CCC#N 258984651 573888084 /nfs/dbraw/zinc/88/80/84/573888084.db2.gz KERGIQJKCWDOLF-UHFFFAOYSA-N 0 0 147.168 2.581 10 30 AFEERN CCOc1ccccc1C(C)(C)C=O 257892878 573888089 /nfs/dbraw/zinc/88/80/89/573888089.db2.gz XLVSUJMLHTVGMC-UHFFFAOYSA-N 0 0 192.258 2.562 10 30 AFEERN CC(C)C#C[C@H](O)C1=CCCCC1 238182216 573888132 /nfs/dbraw/zinc/88/81/32/573888132.db2.gz RPJPSUUQWTZAGV-LBPRGKRZSA-N 0 0 178.275 2.507 10 30 AFEERN CC[C@H](C#N)c1nc(C2CCC2)c[nH]1 259218740 573888151 /nfs/dbraw/zinc/88/81/51/573888151.db2.gz ZDRFCXONUWDQNG-MRVPVSSYSA-N 0 0 189.262 2.694 10 30 AFEERN Cc1ccc(C2(C=O)CC2)cc1Cl 257892958 573888175 /nfs/dbraw/zinc/88/81/75/573888175.db2.gz XNUURAZWWGCXDC-UHFFFAOYSA-N 0 0 194.661 2.879 10 30 AFEERN CC[C@@H](C#N)c1nc(C2CCC2)c[nH]1 259218743 573888263 /nfs/dbraw/zinc/88/82/63/573888263.db2.gz ZDRFCXONUWDQNG-QMMMGPOBSA-N 0 0 189.262 2.694 10 30 AFEERN N#C[C@@H]1C[C@@H]1c1ccc2c(c1)CCC2 258986984 573888727 /nfs/dbraw/zinc/88/87/27/573888727.db2.gz ALKDFBNNWOBUDA-QWHCGFSZSA-N 0 0 183.254 2.802 10 30 AFEERN N#C[C@H]1C[C@H]1c1ccc2c(c1)CCC2 258986982 573888837 /nfs/dbraw/zinc/88/88/37/573888837.db2.gz ALKDFBNNWOBUDA-OLZOCXBDSA-N 0 0 183.254 2.802 10 30 AFEERN CCCCCCCC(N)=S 102224895 573888852 /nfs/dbraw/zinc/88/88/52/573888852.db2.gz JRTRLPYYOMZHLC-UHFFFAOYSA-N 0 0 159.298 2.633 10 30 AFEERN CC#CC[NH2+][C@@H](C)c1ccc(CC)o1 131603957 573892282 /nfs/dbraw/zinc/89/22/82/573892282.db2.gz CTGFJMLFPFUXSU-JTQLQIEISA-N 0 0 191.274 2.516 10 30 AFEERN N#C[C@H]1C[C@@H]1c1ccc2c(c1)CCC2 258986979 573892332 /nfs/dbraw/zinc/89/23/32/573892332.db2.gz ALKDFBNNWOBUDA-CHWSQXEVSA-N 0 0 183.254 2.802 10 30 AFEERN C=CCCNc1ccc(C)cc1C#N 235761259 573892039 /nfs/dbraw/zinc/89/20/39/573892039.db2.gz QYTKMAJUJKENGY-UHFFFAOYSA-N 0 0 186.258 2.855 10 30 AFEERN CCCCCCCC[C@H](C)NN 144971405 573892066 /nfs/dbraw/zinc/89/20/66/573892066.db2.gz XRRBOVAKAFTPPZ-JTQLQIEISA-N 0 0 172.316 2.589 10 30 AFEERN CC1=C[C@@]2(C)C(C)(C)[C@@]2(C)C1=O 238180572 573892180 /nfs/dbraw/zinc/89/21/80/573892180.db2.gz WKTCAUFMQQPKDB-WDEREUQCSA-N 0 0 164.248 2.568 10 30 AFEERN N#C[C@]1(C(F)(F)F)CC=CCC1 238562054 573892401 /nfs/dbraw/zinc/89/24/01/573892401.db2.gz IAEIYUAGAURBMC-ZETCQYMHSA-N 0 0 175.153 2.799 10 30 AFEERN N#CCCc1nc(C2CCCC2)c[nH]1 259223404 573892428 /nfs/dbraw/zinc/89/24/28/573892428.db2.gz ZMBUKHFSOJVPCS-UHFFFAOYSA-N 0 0 189.262 2.523 10 30 AFEERN N#C[C@@H]1C[C@H]1c1ccc2c(c1)CCC2 258986987 573892605 /nfs/dbraw/zinc/89/26/05/573892605.db2.gz ALKDFBNNWOBUDA-STQMWFEESA-N 0 0 183.254 2.802 10 30 AFEERN CC1(C)CCC(=O)C2=C1C=CC2 144995477 573892624 /nfs/dbraw/zinc/89/26/24/573892624.db2.gz XEBHCKBSMKNJFP-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN Cc1ccc([C@H](N)CC#N)c(C)c1C 258988352 573892628 /nfs/dbraw/zinc/89/26/28/573892628.db2.gz FRAKRNVGRDZXPT-GFCCVEGCSA-N 0 0 188.274 2.525 10 30 AFEERN CC(C)=C=CC(=O)c1ccccc1 238180946 573892669 /nfs/dbraw/zinc/89/26/69/573892669.db2.gz MLVFLGYMSCYGDN-UHFFFAOYSA-N 0 0 172.227 2.529 10 30 AFEERN C=C(C)[C@@](C)(C#CC(C)C)[C@H](C)O 238182056 573892715 /nfs/dbraw/zinc/89/27/15/573892715.db2.gz BMYZRPCNUQATTH-NWDGAFQWSA-N 0 0 180.291 2.609 10 30 AFEERN Cc1cnc2ccc(CCC#N)cc2c1 259222463 573892809 /nfs/dbraw/zinc/89/28/09/573892809.db2.gz ONMROGAMQFTYJG-UHFFFAOYSA-N 0 0 196.253 2.999 10 30 AFEERN COc1cccc(C(C)(F)F)c1C#N 258173603 573892813 /nfs/dbraw/zinc/89/28/13/573892813.db2.gz VYPBZKPVYCFYNO-UHFFFAOYSA-N 0 0 197.184 2.679 10 30 AFEERN CC1=CC(=O)C[C@@H](c2ccco2)C1 144989377 573893073 /nfs/dbraw/zinc/89/30/73/573893073.db2.gz FKRJBIQMRWRFAK-VIFPVBQESA-N 0 0 176.215 2.672 10 30 AFEERN Cc1cc(O)cc([C@@H](C)CC=O)c1F 258173924 573894853 /nfs/dbraw/zinc/89/48/53/573894853.db2.gz WDOKIFHFKHAGHA-ZETCQYMHSA-N 0 0 196.221 2.532 10 30 AFEERN CC1=CC(=O)C(=C(C)C)S1 238180539 573894003 /nfs/dbraw/zinc/89/40/03/573894003.db2.gz LSXSRLRGLKHOPD-UHFFFAOYSA-N 0 0 154.234 2.500 10 30 AFEERN C=CC1(C(C)C)CC1 150107481 573894674 /nfs/dbraw/zinc/89/46/74/573894674.db2.gz KYNOYZYUSZQLRG-UHFFFAOYSA-N 0 0 110.200 2.609 10 30 AFEERN C=CC[C@@H](C)[C@@H](O)c1ccc(C)cn1 715048230 573894680 /nfs/dbraw/zinc/89/46/80/573894680.db2.gz WMDAKDZAHLTCJK-ZYHUDNBSSA-N 0 0 191.274 2.636 10 30 AFEERN CCCCCC1(C=O)CC1 80340451 573894748 /nfs/dbraw/zinc/89/47/48/573894748.db2.gz XUDSMTCFSWAZNA-UHFFFAOYSA-N 0 0 140.226 2.546 10 30 AFEERN Cc1cc([C@@H]2O[C@H]2C)ccc1F 259228237 573894773 /nfs/dbraw/zinc/89/47/73/573894773.db2.gz JORKQXQQPQIGJP-OIBJUYFYSA-N 0 0 166.195 2.594 10 30 AFEERN C[C@@H]1C/C(=N\O)CC(C)(C)C1 102277618 573894822 /nfs/dbraw/zinc/89/48/22/573894822.db2.gz SBIKADHZIPDOHC-PLVWVKTPSA-N 0 0 155.241 2.663 10 30 AFEERN CC[C@@H](C#N)c1nc(C(C)(C)C)c[nH]1 258991495 573897368 /nfs/dbraw/zinc/89/73/68/573897368.db2.gz BDMBBXSSDJASAW-QMMMGPOBSA-N 0 0 191.278 2.724 10 30 AFEERN C=CC1(C(C)C)CCC1 150106460 573896973 /nfs/dbraw/zinc/89/69/73/573896973.db2.gz BAYJHOIJEPURCK-UHFFFAOYSA-N 0 0 124.227 2.999 10 30 AFEERN C#C[C@@H](O)c1ccccc1C=C(C)C 238174346 573897239 /nfs/dbraw/zinc/89/72/39/573897239.db2.gz JKLIGHQWGHVGNJ-CYBMUJFWSA-N 0 0 186.254 2.776 10 30 AFEERN CC1=C(C)[C@H](C(C)C)[C@@H](C)C1=O 238173998 573897479 /nfs/dbraw/zinc/89/74/79/573897479.db2.gz TZIITYRMRHZSMY-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN C#CC[C@@H](O)c1ccc(Cl)cc1C 235765893 573897531 /nfs/dbraw/zinc/89/75/31/573897531.db2.gz NZPARFIYZRBZOU-LLVKDONJSA-N 0 0 194.661 2.705 10 30 AFEERN C=C[C@@H](O)c1ccc(Cl)cc1C 235765868 573897620 /nfs/dbraw/zinc/89/76/20/573897620.db2.gz HWPFAODEXNGSDL-SNVBAGLBSA-N 0 0 182.650 2.868 10 30 AFEERN C#C[C@H](O)c1ccccc1C=C(C)C 238174324 573897653 /nfs/dbraw/zinc/89/76/53/573897653.db2.gz JKLIGHQWGHVGNJ-ZDUSSCGKSA-N 0 0 186.254 2.776 10 30 AFEERN N#Cc1ccncc1Nc1ccccc1 84455189 573899486 /nfs/dbraw/zinc/89/94/86/573899486.db2.gz YZVFCHGDVWGIOY-UHFFFAOYSA-N 0 0 195.225 2.697 10 30 AFEERN Cc1cc([C@H]2O[C@H]2C)ccc1F 259228248 573899517 /nfs/dbraw/zinc/89/95/17/573899517.db2.gz JORKQXQQPQIGJP-XVKPBYJWSA-N 0 0 166.195 2.594 10 30 AFEERN C=CC[C@H](C)[C@H](O)CCC1CC1 715052032 573899895 /nfs/dbraw/zinc/89/98/95/573899895.db2.gz GSKVRJTVUBJUDQ-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN CC[C@H]1[C@H](C#N)C12CCCC2 259583863 573899987 /nfs/dbraw/zinc/89/99/87/573899987.db2.gz KOLKLTFFPSESTR-IUCAKERBSA-N 0 0 149.237 2.726 10 30 AFEERN CCC(=O)C(C)=C(Cl)Cl 238190646 573900005 /nfs/dbraw/zinc/90/00/05/573900005.db2.gz ZWFZISRPPPDNGL-UHFFFAOYSA-N 0 0 167.035 2.675 10 30 AFEERN CC1([C@](C)(C#N)N2CCCCC2)CC1 87366462 573900027 /nfs/dbraw/zinc/90/00/27/573900027.db2.gz JKJXJOZPWVDASH-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN CC(=O)/C=C/C=C\c1ccccc1F 308461132 573900047 /nfs/dbraw/zinc/90/00/47/573900047.db2.gz WOEZITKBTHXSGB-BPMFVRGZSA-N 0 0 190.217 2.984 10 30 AFEERN C=C(CC)C[C@@H]([NH3+])c1coc(C)c1 131567061 573905089 /nfs/dbraw/zinc/90/50/89/573905089.db2.gz BVMQXTQQIGGDIP-LLVKDONJSA-N 0 0 179.263 2.944 10 30 AFEERN C=C1CCC(C)(C)C[C@@H]1CC=O 238193008 573904060 /nfs/dbraw/zinc/90/40/60/573904060.db2.gz XJUOBSIDXPLJFZ-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN CC[C@](C)(C#N)Cc1nc(C)cs1 87398144 573903746 /nfs/dbraw/zinc/90/37/46/573903746.db2.gz SJKMPBKVRBDHDS-JTQLQIEISA-N 0 0 194.303 2.934 10 30 AFEERN C=CC[C@H](C)[C@]1(O)CCO[C@@H](CC)C1 715056968 573903851 /nfs/dbraw/zinc/90/38/51/573903851.db2.gz DMKORVMDJOXHCE-SRVKXCTJSA-N 0 0 198.306 2.519 10 30 AFEERN C#CC[C@@]1(C)C=CCC(C)(C)C1=O 238192635 573903868 /nfs/dbraw/zinc/90/38/68/573903868.db2.gz QTHKUBRXTHPAKJ-LBPRGKRZSA-N 0 0 176.259 2.571 10 30 AFEERN CC[C@@](C)(C#N)Cc1nc(C)cs1 87398145 573905066 /nfs/dbraw/zinc/90/50/66/573905066.db2.gz SJKMPBKVRBDHDS-SNVBAGLBSA-N 0 0 194.303 2.934 10 30 AFEERN Cc1ccsc1C(=O)CCS 258998814 573905068 /nfs/dbraw/zinc/90/50/68/573905068.db2.gz BFUIGUREIGZWKC-UHFFFAOYSA-N 0 0 186.301 2.559 10 30 AFEERN CC(C)[C@@](C)(C#N)c1ccccc1C#N 259584427 573905111 /nfs/dbraw/zinc/90/51/11/573905111.db2.gz PAYWITSKHVBQFK-CYBMUJFWSA-N 0 0 198.269 2.996 10 30 AFEERN C=CC[C@H](C)[C@@H](O)C1(CC)CC1 715056489 573905175 /nfs/dbraw/zinc/90/51/75/573905175.db2.gz CKTJDKOPHZPLBZ-VHSXEESVSA-N 0 0 168.280 2.750 10 30 AFEERN CC(C)c1noc2cc(C#N)ccc12 238191306 573905281 /nfs/dbraw/zinc/90/52/81/573905281.db2.gz MSWMNPLKBADYIM-UHFFFAOYSA-N 0 0 186.214 2.823 10 30 AFEERN CC[C@@](C)(C#N)Cc1nccs1 87398147 573905399 /nfs/dbraw/zinc/90/53/99/573905399.db2.gz XSRMYQANGBKWJY-SECBINFHSA-N 0 0 180.276 2.625 10 30 AFEERN C=C(CC)C[C@@H]([NH3+])c1ccc(C)o1 131555149 573905405 /nfs/dbraw/zinc/90/54/05/573905405.db2.gz NOTNEQVSKRTBMU-SNVBAGLBSA-N 0 0 179.263 2.944 10 30 AFEERN C=CC[C@H](C)[C@]1(O)CCO[C@H](CC)C1 715056970 573905412 /nfs/dbraw/zinc/90/54/12/573905412.db2.gz DMKORVMDJOXHCE-TUAOUCFPSA-N 0 0 198.306 2.519 10 30 AFEERN C[C@@](F)(C=O)c1ccc(Cl)cc1 257903874 573905475 /nfs/dbraw/zinc/90/54/75/573905475.db2.gz PJQKKXMQJSYARG-SECBINFHSA-N 0 0 186.613 2.724 10 30 AFEERN CC1(C)CC=C[C@H](CC=O)C1 238192449 573905496 /nfs/dbraw/zinc/90/54/96/573905496.db2.gz ZWRDLPVBXCLSIP-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCNc1cccc(C)c1[N+](=O)[O-] 235782933 573905512 /nfs/dbraw/zinc/90/55/12/573905512.db2.gz ZVLHNBHBITZQJI-UHFFFAOYSA-N 0 0 192.218 2.501 10 30 AFEERN C=C1C2CCC1(C(=O)CC)CC2 238191500 573905518 /nfs/dbraw/zinc/90/55/18/573905518.db2.gz SULWWJGCNMUZFR-UHFFFAOYSA-N 0 0 164.248 2.712 10 30 AFEERN CCC(CC)[C@@H]1C=CC(=O)CC1 238192909 573905523 /nfs/dbraw/zinc/90/55/23/573905523.db2.gz CZEYDYQWJWZMBL-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CCC[C@H](CC#N)[C@H](C)F 258451748 573905568 /nfs/dbraw/zinc/90/55/68/573905568.db2.gz GCBOYWBJQCBLHF-JGVFFNPUSA-N 0 0 143.205 2.674 10 30 AFEERN C=C(CC)C[C@H]([NH3+])c1coc(C)c1 131566854 573905584 /nfs/dbraw/zinc/90/55/84/573905584.db2.gz BVMQXTQQIGGDIP-NSHDSACASA-N 0 0 179.263 2.944 10 30 AFEERN CCC(=O)C1=C[C@H](C)CCC1 238192755 573905636 /nfs/dbraw/zinc/90/56/36/573905636.db2.gz DSPHOVZAFYZJSD-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(C)C[C@H](CC#N)[C@H](C)F 258453461 573905654 /nfs/dbraw/zinc/90/56/54/573905654.db2.gz GJAOOJFNYGUPPF-IUCAKERBSA-N 0 0 157.232 2.920 10 30 AFEERN Nc1ccc2sc(CS)cc2c1 257904190 573905750 /nfs/dbraw/zinc/90/57/50/573905750.db2.gz BHGIIIMWHBIDPW-UHFFFAOYSA-N 0 0 195.312 2.913 10 30 AFEERN CC(C)C[C@@H](CC#N)[C@H](C)F 258453459 573905767 /nfs/dbraw/zinc/90/57/67/573905767.db2.gz GJAOOJFNYGUPPF-DTWKUNHWSA-N 0 0 157.232 2.920 10 30 AFEERN N#CC1(Cc2nccs2)CCCC1 87398139 573905818 /nfs/dbraw/zinc/90/58/18/573905818.db2.gz JFQUPMWCXYVSMF-UHFFFAOYSA-N 0 0 192.287 2.770 10 30 AFEERN CC[C@](C)(C#N)Cc1nccs1 87398146 573905868 /nfs/dbraw/zinc/90/58/68/573905868.db2.gz XSRMYQANGBKWJY-VIFPVBQESA-N 0 0 180.276 2.625 10 30 AFEERN CC(C)[C@](C)(C#N)c1ccccc1C#N 259584428 573905881 /nfs/dbraw/zinc/90/58/81/573905881.db2.gz PAYWITSKHVBQFK-ZDUSSCGKSA-N 0 0 198.269 2.996 10 30 AFEERN Cc1cccc2cc(CC=O)sc12 258178864 573905960 /nfs/dbraw/zinc/90/59/60/573905960.db2.gz MUQYWJWYTFUGAF-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN CC[C@@H](C)N[C@H](C#N)c1cccs1 41672099 573907902 /nfs/dbraw/zinc/90/79/02/573907902.db2.gz JDTQEWYOWUQIEQ-RKDXNWHRSA-N 0 0 194.303 2.701 10 30 AFEERN C=C1C[C@H]2[C@@H]1C(=O)CCC2(C)C 238194878 573907709 /nfs/dbraw/zinc/90/77/09/573907709.db2.gz UQQALXIPKTUGPF-WCBMZHEXSA-N 0 0 164.248 2.568 10 30 AFEERN C=CC[C@H]1C(=O)CCC1(C)C 238194399 573907847 /nfs/dbraw/zinc/90/78/47/573907847.db2.gz YLVXKSMHUUNGDF-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCC[C@H]1C(=O)CCC1(C)C 238194430 573907930 /nfs/dbraw/zinc/90/79/30/573907930.db2.gz BIFNTBYUJJUYHP-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN C#Cc1cc(C)cc(C(F)(F)F)c1 725239852 573908025 /nfs/dbraw/zinc/90/80/25/573908025.db2.gz MRHUGGVPUSPUKP-UHFFFAOYSA-N 0 0 184.160 2.995 10 30 AFEERN CC(C)C[C@H](CC#N)[C@@H](C)F 258453458 573908107 /nfs/dbraw/zinc/90/81/07/573908107.db2.gz GJAOOJFNYGUPPF-BDAKNGLRSA-N 0 0 157.232 2.920 10 30 AFEERN CCCCCC(C)(C)CNCC#N 87399448 573908239 /nfs/dbraw/zinc/90/82/39/573908239.db2.gz YTXGZYIYMNMZGO-UHFFFAOYSA-N 0 0 182.311 2.706 10 30 AFEERN C=CC[C@H](C)[C@H](O)C1(OC)CCCC1 715057785 573909825 /nfs/dbraw/zinc/90/98/25/573909825.db2.gz JZRZVPLSPJMIAQ-QWRGUYRKSA-N 0 0 198.306 2.519 10 30 AFEERN CC1=C(C)CCC(=O)C(Cl)=C1 238195655 573909383 /nfs/dbraw/zinc/90/93/83/573909383.db2.gz QHGXMNRDOIRBCS-UHFFFAOYSA-N 0 0 170.639 2.808 10 30 AFEERN C=CC[C@H](C)[C@@H](O)c1ccoc1C 715058387 573909479 /nfs/dbraw/zinc/90/94/79/573909479.db2.gz PGNGSYMFXYJDQM-GZMMTYOYSA-N 0 0 180.247 2.834 10 30 AFEERN C[C@@]1(c2ccccc2F)C[C@@H]1C#N 259001473 573909508 /nfs/dbraw/zinc/90/95/08/573909508.db2.gz MUTTUKZCIFALDR-LDYMZIIASA-N 0 0 175.206 2.627 10 30 AFEERN C=C1C[C@@H]2[C@H]1C(=O)CCC2(C)C 238194475 573909706 /nfs/dbraw/zinc/90/97/06/573909706.db2.gz UQQALXIPKTUGPF-SCZZXKLOSA-N 0 0 164.248 2.568 10 30 AFEERN C=C[C@@H](C[Si](C)(C)C)C(C)=O 238193628 573909760 /nfs/dbraw/zinc/90/97/60/573909760.db2.gz BEGGTFYDVLJHIY-VIFPVBQESA-N 0 0 170.328 2.716 10 30 AFEERN CC(C)C[C@@H](CC#N)[C@@H](C)F 258454886 573910685 /nfs/dbraw/zinc/91/06/85/573910685.db2.gz GJAOOJFNYGUPPF-RKDXNWHRSA-N 0 0 157.232 2.920 10 30 AFEERN CC[C@@H](C)n1nc(C)c(C#N)c1Cl 84725701 573911603 /nfs/dbraw/zinc/91/16/03/573911603.db2.gz SNYFLDJDEXDUJM-ZCFIWIBFSA-N 0 0 197.669 2.688 10 30 AFEERN O=C[C@H]1Cc2cc(Cl)ccc2S1 258179780 573911615 /nfs/dbraw/zinc/91/16/15/573911615.db2.gz SOOXKXMZUQXPKG-MRVPVSSYSA-N 0 0 198.674 2.556 10 30 AFEERN C=CC[C@H](C)Oc1ccc(N)cc1F 715057884 573912744 /nfs/dbraw/zinc/91/27/44/573912744.db2.gz LEFAHHOASNMDTQ-QMMMGPOBSA-N 0 0 195.237 2.751 10 30 AFEERN CC[C@H]1C[C@@H](C)CCC1=NOC 388456925 573911757 /nfs/dbraw/zinc/91/17/57/573911757.db2.gz DIYKSALCHOKFJT-IUCAKERBSA-N 0 0 169.268 2.835 10 30 AFEERN CC1=C[C@H]2CC(=O)C=C[C@@]2(C)CC1 238182988 573911777 /nfs/dbraw/zinc/91/17/77/573911777.db2.gz AGUAUYRVSNRJPA-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=CC[C@H](C)[C@@H](O)C1(OC)CCCC1 715057786 573911872 /nfs/dbraw/zinc/91/18/72/573911872.db2.gz JZRZVPLSPJMIAQ-WDEREUQCSA-N 0 0 198.306 2.519 10 30 AFEERN CC(=O)[C@@]1(C)CC[C@@H](C#N)C1(C)C 238183194 573911978 /nfs/dbraw/zinc/91/19/78/573911978.db2.gz YQJUGKRTCYAJIM-GXSJLCMTSA-N 0 0 179.263 2.541 10 30 AFEERN C=CC[C@H]1CCC[C@]1(C)C(C)=O 238183121 573911995 /nfs/dbraw/zinc/91/19/95/573911995.db2.gz GTOPHIINFPUJPF-WDEREUQCSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC)C[C@H]1C(=O)CC[C@@H]1C 238183037 573912178 /nfs/dbraw/zinc/91/21/78/573912178.db2.gz XYTMWVRTPANMCD-VHSXEESVSA-N 0 0 166.264 2.958 10 30 AFEERN C=C(CC)C[C@@H]1C(=O)CC[C@@H]1C 238183098 573912224 /nfs/dbraw/zinc/91/22/24/573912224.db2.gz XYTMWVRTPANMCD-UWVGGRQHSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=C[C@H]2CC(=O)C=C[C@]2(C)CC1 238183011 573912290 /nfs/dbraw/zinc/91/22/90/573912290.db2.gz AGUAUYRVSNRJPA-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CCc1csc(CCCC#N)n1 259240092 573912365 /nfs/dbraw/zinc/91/23/65/573912365.db2.gz KPILZRWUTJPRGO-UHFFFAOYSA-N 0 0 180.276 2.552 10 30 AFEERN CC1=C(C)[C@@H](C(C)C)[C@@H](C)C1=O 238183492 573912483 /nfs/dbraw/zinc/91/24/83/573912483.db2.gz TZIITYRMRHZSMY-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN C#CC[C@H](O)c1cc(C)c(C)cc1C 235798269 573912589 /nfs/dbraw/zinc/91/25/89/573912589.db2.gz CYQWRWBVQZLKIQ-ZDUSSCGKSA-N 0 0 188.270 2.669 10 30 AFEERN C=C(CC)Cc1ccccc1O 238183147 573912611 /nfs/dbraw/zinc/91/26/11/573912611.db2.gz VCWFNNVFODGGHN-UHFFFAOYSA-N 0 0 162.232 2.901 10 30 AFEERN C=CC[C@@H](C)Oc1cc(N)ccc1C 715057679 573912631 /nfs/dbraw/zinc/91/26/31/573912631.db2.gz ILMGKCIOYWYCTH-SNVBAGLBSA-N 0 0 191.274 2.921 10 30 AFEERN C=C(CC)[C@@H](C)[C@@H](O)/C=C/C 238183480 573912666 /nfs/dbraw/zinc/91/26/66/573912666.db2.gz WOMKLKGVWKDCFZ-NVETZNIKSA-N 0 0 154.253 2.526 10 30 AFEERN CCSCCC[C@@](C)(C#N)C(C)=O 131660333 573916098 /nfs/dbraw/zinc/91/60/98/573916098.db2.gz RNJGGIRUHUGWBG-JTQLQIEISA-N 0 0 199.319 2.639 10 30 AFEERN C=C1CCCC[C@]1(Cl)C(C)=O 238184659 573916195 /nfs/dbraw/zinc/91/61/95/573916195.db2.gz PYEYBPAJWDRUCZ-SECBINFHSA-N 0 0 172.655 2.683 10 30 AFEERN C/C=C/C(=O)c1ccc(OC)c(F)c1 76635999 573915834 /nfs/dbraw/zinc/91/58/34/573915834.db2.gz QXYHHGRXRUDQQX-ONEGZZNKSA-N 0 0 194.205 2.593 10 30 AFEERN C[C@]1(C#N)C[C@H]1c1ccc(F)cc1F 259007371 573915849 /nfs/dbraw/zinc/91/58/49/573915849.db2.gz NRFNASWGVFDVGZ-GXSJLCMTSA-N 0 0 193.196 2.982 10 30 AFEERN C=C(CC)[C@H](C)[C@@H](O)/C=C/C 238184512 573915889 /nfs/dbraw/zinc/91/58/89/573915889.db2.gz WOMKLKGVWKDCFZ-MLXLLJIISA-N 0 0 154.253 2.526 10 30 AFEERN CC(C)C[C@@]1(C#N)C[C@H]1C 259009581 573915912 /nfs/dbraw/zinc/91/59/12/573915912.db2.gz NZAIGORBPRQHTR-BDAKNGLRSA-N 0 0 137.226 2.582 10 30 AFEERN C=CC[C@H](C)Oc1ccccc1N 715058483 573916021 /nfs/dbraw/zinc/91/60/21/573916021.db2.gz PYLAZJNSXGRDAW-VIFPVBQESA-N 0 0 177.247 2.612 10 30 AFEERN C=CC[C@H](C)Oc1ccc(N)c(F)c1 715059021 573916035 /nfs/dbraw/zinc/91/60/35/573916035.db2.gz WONFVRRUTSUICA-QMMMGPOBSA-N 0 0 195.237 2.751 10 30 AFEERN CCC[C@@H](C)/C=C\C(C)=O 44709802 573916255 /nfs/dbraw/zinc/91/62/55/573916255.db2.gz NECROWMNPAXETR-NFXKFNAJSA-N 0 0 140.226 2.568 10 30 AFEERN C=CC[C@H](C)[C@@]1(O)CCCC[C@H]1OC 715058590 573918204 /nfs/dbraw/zinc/91/82/04/573918204.db2.gz QUPYUVBCUNRKFU-TUAOUCFPSA-N 0 0 198.306 2.519 10 30 AFEERN C=CC[C@H](C)[C@]1(O)CCC1(C)C 642823618 573917441 /nfs/dbraw/zinc/91/74/41/573917441.db2.gz SKPWBMJNOCPCRP-GXSJLCMTSA-N 0 0 168.280 2.750 10 30 AFEERN C=C=C(C(C)C)C(C)(C)C=O 238185049 573917516 /nfs/dbraw/zinc/91/75/16/573917516.db2.gz YPHJGWWRVPGAMX-UHFFFAOYSA-N 0 0 152.237 2.579 10 30 AFEERN CON=C1CC[C@H]2CCCC[C@H]2C1 308463264 573917579 /nfs/dbraw/zinc/91/75/79/573917579.db2.gz IEVWBUSBKDBLTB-ZJUUUORDSA-N 0 0 181.279 2.979 10 30 AFEERN C=C1C(=O)C[C@@H]2[C@@H]1C=C(C)C2(C)C 238184323 573917580 /nfs/dbraw/zinc/91/75/80/573917580.db2.gz ZYEHGAUDVAUAGO-NXEZZACHSA-N 0 0 176.259 2.734 10 30 AFEERN C[C@@]1(c2ccc(F)c(F)c2)C[C@H]1C#N 259007315 573917596 /nfs/dbraw/zinc/91/75/96/573917596.db2.gz NOZACPDHTMKNKJ-KWQFWETISA-N 0 0 193.196 2.766 10 30 AFEERN C[C@@]1(c2ccc(F)c(F)c2)C[C@@H]1C#N 259007314 573917645 /nfs/dbraw/zinc/91/76/45/573917645.db2.gz NOZACPDHTMKNKJ-KCJUWKMLSA-N 0 0 193.196 2.766 10 30 AFEERN C=CC[C@@H](C)[C@]1(O)CCOC(C)(C)C1 715058771 573917653 /nfs/dbraw/zinc/91/76/53/573917653.db2.gz TWWBEFKCFMKEFA-PWSUYJOCSA-N 0 0 198.306 2.519 10 30 AFEERN N#Cc1cccc2c(Cl)cncc12 306806264 573917683 /nfs/dbraw/zinc/91/76/83/573917683.db2.gz JDNFWKRRAJDASX-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 AFEERN C=C(CC)[C@H](C)[C@H](O)/C=C/C 238184533 573917695 /nfs/dbraw/zinc/91/76/95/573917695.db2.gz WOMKLKGVWKDCFZ-IUUOVRRDSA-N 0 0 154.253 2.526 10 30 AFEERN C=CC[C@H](C)[C@@]1(O)CCC1(C)C 642823624 573917730 /nfs/dbraw/zinc/91/77/30/573917730.db2.gz SKPWBMJNOCPCRP-ONGXEEELSA-N 0 0 168.280 2.750 10 30 AFEERN CC1=C(C)[C@@H](C(C)C)[C@H](C)C1=O 238185525 573917758 /nfs/dbraw/zinc/91/77/58/573917758.db2.gz TZIITYRMRHZSMY-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN Cc1cc([C@]2(C)C[C@H]2C#N)ccc1F 259006025 573917827 /nfs/dbraw/zinc/91/78/27/573917827.db2.gz NNSHZABEZQZQEJ-JQWIXIFHSA-N 0 0 189.233 2.935 10 30 AFEERN Cc1csc2c(C#N)ccc(C#N)c12 306805497 573917888 /nfs/dbraw/zinc/91/78/88/573917888.db2.gz AKLMXHWUEMJXLC-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN N#Cc1cc(-c2cccs2)c[nH]1 259236421 573917939 /nfs/dbraw/zinc/91/79/39/573917939.db2.gz PLFUGCQVIYINAZ-UHFFFAOYSA-N 0 0 174.228 2.615 10 30 AFEERN C=CC[C@@H](C)[C@H](O)C1(C(C)C)CC1 715058578 573917945 /nfs/dbraw/zinc/91/79/45/573917945.db2.gz QUIBGUOFDPCLPJ-MNOVXSKESA-N 0 0 182.307 2.996 10 30 AFEERN C/C=C/CNc1ccc(C#N)cc1C 306802170 573917947 /nfs/dbraw/zinc/91/79/47/573917947.db2.gz TTXKPRMNCYLBGM-ONEGZZNKSA-N 0 0 186.258 2.855 10 30 AFEERN CC(C)C(C#N)(NCC1CC1)C(C)C 308463171 573917948 /nfs/dbraw/zinc/91/79/48/573917948.db2.gz GZHKSQWTUPBBRU-UHFFFAOYSA-N 0 0 194.322 2.560 10 30 AFEERN CC(C)=CCC[C@@H](CC=O)CCC=O 215488367 573917949 /nfs/dbraw/zinc/91/79/49/573917949.db2.gz AJKKFDQJOQIKGC-GFCCVEGCSA-N 0 0 196.290 2.917 10 30 AFEERN CC(C)=CCC[C@H](CC=O)CCC=O 215488319 573918104 /nfs/dbraw/zinc/91/81/04/573918104.db2.gz AJKKFDQJOQIKGC-LBPRGKRZSA-N 0 0 196.290 2.917 10 30 AFEERN C=CC[C@@H](C)Oc1ccc(N)c(F)c1 715059019 573918113 /nfs/dbraw/zinc/91/81/13/573918113.db2.gz WONFVRRUTSUICA-MRVPVSSYSA-N 0 0 195.237 2.751 10 30 AFEERN CC(C)C[C@@]1(C#N)C[C@@H]1C 259009584 573919198 /nfs/dbraw/zinc/91/91/98/573919198.db2.gz NZAIGORBPRQHTR-IUCAKERBSA-N 0 0 137.226 2.582 10 30 AFEERN CC(C)(C)[C@]1(C#N)CC1(C)C 259007429 573919330 /nfs/dbraw/zinc/91/93/30/573919330.db2.gz NSJYQPPBCFTQGE-SNVBAGLBSA-N 0 0 151.253 2.972 10 30 AFEERN C[C@]1(C#N)C[C@@H]1c1ccc(F)cc1F 259007375 573919553 /nfs/dbraw/zinc/91/95/53/573919553.db2.gz NRFNASWGVFDVGZ-MWLCHTKSSA-N 0 0 193.196 2.982 10 30 AFEERN CO[C@](C)(CC=O)C1CCCCC1 257899411 573919977 /nfs/dbraw/zinc/91/99/77/573919977.db2.gz OSQWSCCHMFVOCB-LLVKDONJSA-N 0 0 184.279 2.561 10 30 AFEERN CO[C@@](C)(CC=O)C1CCCCC1 257899413 573920119 /nfs/dbraw/zinc/92/01/19/573920119.db2.gz OSQWSCCHMFVOCB-NSHDSACASA-N 0 0 184.279 2.561 10 30 AFEERN C[C@]1(c2ccc(F)c(F)c2)C[C@@H]1C#N 259007316 573920163 /nfs/dbraw/zinc/92/01/63/573920163.db2.gz NOZACPDHTMKNKJ-LDYMZIIASA-N 0 0 193.196 2.766 10 30 AFEERN COCCCCC1=CC(=O)C[C@H](C)C1 308462674 573920165 /nfs/dbraw/zinc/92/01/65/573920165.db2.gz DUHAROCKYRNPSH-SNVBAGLBSA-N 0 0 196.290 2.729 10 30 AFEERN C[C@]1(c2ccc(F)c(F)c2)C[C@H]1C#N 259007313 573921271 /nfs/dbraw/zinc/92/12/71/573921271.db2.gz NOZACPDHTMKNKJ-GZMMTYOYSA-N 0 0 193.196 2.766 10 30 AFEERN CC=C=C(CC)C(C)(C)C=O 238185946 573921450 /nfs/dbraw/zinc/92/14/50/573921450.db2.gz GNPDTOLPPSYFDC-UHFFFAOYSA-N 0 0 152.237 2.723 10 30 AFEERN Cc1ccc([C@@H](C#N)c2cc[nH]c2)cc1 259006500 573921602 /nfs/dbraw/zinc/92/16/02/573921602.db2.gz BUQPPURVBOQROV-CYBMUJFWSA-N 0 0 196.253 2.979 10 30 AFEERN CCc1ccc2c(c1)CCC[C@H]2C=O 257900361 573921682 /nfs/dbraw/zinc/92/16/82/573921682.db2.gz YQTSVERDZPNWAN-LBPRGKRZSA-N 0 0 188.270 2.868 10 30 AFEERN COc1cc(C(C)C)ccc1CC=O 259239571 573923412 /nfs/dbraw/zinc/92/34/12/573923412.db2.gz VRURCNJQESHOGV-UHFFFAOYSA-N 0 0 192.258 2.560 10 30 AFEERN C[C@@H]1CCC[C@H](C[C@](C)(O)CC=O)C1 308464160 573922946 /nfs/dbraw/zinc/92/29/46/573922946.db2.gz FOBUTJWVWSSDMW-GRYCIOLGSA-N 0 0 198.306 2.543 10 30 AFEERN O=CC[C@H](C1CCC1)C(F)(F)F 257900229 573923048 /nfs/dbraw/zinc/92/30/48/573923048.db2.gz OTPSIEAZKLZUAK-SSDOTTSWSA-N 0 0 180.169 2.554 10 30 AFEERN CC(C)(C)CC[C@](C)(C#N)NC1CC1 308463812 573923115 /nfs/dbraw/zinc/92/31/15/573923115.db2.gz HAZUWJOWXRPXCQ-GFCCVEGCSA-N 0 0 194.322 2.847 10 30 AFEERN O=CC[C@@H](C1CCC1)C(F)(F)F 257900232 573923164 /nfs/dbraw/zinc/92/31/64/573923164.db2.gz OTPSIEAZKLZUAK-ZETCQYMHSA-N 0 0 180.169 2.554 10 30 AFEERN CCCCCC1=C(C)CC1=O 238189066 573924360 /nfs/dbraw/zinc/92/43/60/573924360.db2.gz BOVJYEYWICIOCD-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CC[C@@H](C#N)Cc1ccc(F)cc1 259583349 573924377 /nfs/dbraw/zinc/92/43/77/573924377.db2.gz ZIDQFSPPRMZQDB-SECBINFHSA-N 0 0 177.222 2.918 10 30 AFEERN CC(C)(F)[C@@H](C#N)C1CCC1 258459108 573924408 /nfs/dbraw/zinc/92/44/08/573924408.db2.gz GXRWQOQAVXVBES-QMMMGPOBSA-N 0 0 155.216 2.674 10 30 AFEERN CC1=C(C(=O)C(C)C)CCC1 238187607 573924486 /nfs/dbraw/zinc/92/44/86/573924486.db2.gz PDGBVCNUVDSLIV-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC1(C)CC(=O)C(F)=C(F)C1 238188607 573924494 /nfs/dbraw/zinc/92/44/94/573924494.db2.gz YWYGLGXRLOHXOS-UHFFFAOYSA-N 0 0 160.163 2.526 10 30 AFEERN Cc1cccc(C(C)(C)C=O)c1C 257900519 573924574 /nfs/dbraw/zinc/92/45/74/573924574.db2.gz OWFNSKHRYMUVAY-UHFFFAOYSA-N 0 0 176.259 2.780 10 30 AFEERN C=C[C@H](O)c1ccc(C)cc1Cl 235804719 573924750 /nfs/dbraw/zinc/92/47/50/573924750.db2.gz NJSJUGXOKSDHOO-JTQLQIEISA-N 0 0 182.650 2.868 10 30 AFEERN Cc1cccc2c1[C@@H]([C@@H](C)C=O)CC2 257900523 573924933 /nfs/dbraw/zinc/92/49/33/573924933.db2.gz YSGICZFQMIPGNZ-CMPLNLGQSA-N 0 0 188.270 2.860 10 30 AFEERN Cc1cccc2c1[C@H]([C@@H](C)C=O)CC2 257900527 573924979 /nfs/dbraw/zinc/92/49/79/573924979.db2.gz YSGICZFQMIPGNZ-JQWIXIFHSA-N 0 0 188.270 2.860 10 30 AFEERN N#CCC1(Cc2ccccc2)CC1 259583218 573925130 /nfs/dbraw/zinc/92/51/30/573925130.db2.gz FMJHXDLLMYTSHC-UHFFFAOYSA-N 0 0 171.243 2.923 10 30 AFEERN Cc1ccc([C@H](C)CC=O)c(F)c1F 258181810 573925250 /nfs/dbraw/zinc/92/52/50/573925250.db2.gz WPYIJFVDBXVPOR-SSDOTTSWSA-N 0 0 198.212 2.966 10 30 AFEERN CCN(CC(C)(C)C)C1=CC(=O)CC1 308464748 573926339 /nfs/dbraw/zinc/92/63/39/573926339.db2.gz FVMNKOJBMYGPRS-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C1C(C)(C)[C@H]2CC[C@]1(C(C)=O)C2 238188998 573925498 /nfs/dbraw/zinc/92/54/98/573925498.db2.gz YYHUPKCPNBFESD-JQWIXIFHSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1cccc2c1[C@H]([C@H](C)C=O)CC2 257900530 573925548 /nfs/dbraw/zinc/92/55/48/573925548.db2.gz YSGICZFQMIPGNZ-PWSUYJOCSA-N 0 0 188.270 2.860 10 30 AFEERN CC1(C)CCC=C[C@@H]1CC=O 238198416 573925667 /nfs/dbraw/zinc/92/56/67/573925667.db2.gz QUTWRTIDSSZIPB-SECBINFHSA-N 0 0 152.237 2.568 10 30 AFEERN C[C@@H](CC=O)c1cc(F)cc(F)c1 258181936 573925705 /nfs/dbraw/zinc/92/57/05/573925705.db2.gz WRINRQDWHDHYPK-ZETCQYMHSA-N 0 0 184.185 2.657 10 30 AFEERN CC(C)C(=O)C1=C[C@H]2CC[C@@H](C1)C2 238188078 573925882 /nfs/dbraw/zinc/92/58/82/573925882.db2.gz PSFQAZCMCCWRPS-VHSXEESVSA-N 0 0 178.275 2.958 10 30 AFEERN CC[C@H](C#N)Cc1ccc(F)cc1 259583350 573926003 /nfs/dbraw/zinc/92/60/03/573926003.db2.gz ZIDQFSPPRMZQDB-VIFPVBQESA-N 0 0 177.222 2.918 10 30 AFEERN N#C[C@@H]1CCO[C@H]1CC1CCCCC1 87474386 573926218 /nfs/dbraw/zinc/92/62/18/573926218.db2.gz QKIJOMTVDDICRP-RYUDHWBXSA-N 0 0 193.290 2.885 10 30 AFEERN C/C=C\C(=O)c1ccc2cccnc2c1 308781925 573926272 /nfs/dbraw/zinc/92/62/72/573926272.db2.gz RXURLLQMZUMJRN-RQOWECAXSA-N 0 0 197.237 2.994 10 30 AFEERN CCC(CC)[C@H]1C=CC(=O)CC1 238187528 573926290 /nfs/dbraw/zinc/92/62/90/573926290.db2.gz CZEYDYQWJWZMBL-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN C=CC(=O)Cc1c(C)cccc1C 235809755 573928472 /nfs/dbraw/zinc/92/84/72/573928472.db2.gz YKWTXZZLLIFAHK-UHFFFAOYSA-N 0 0 174.243 2.601 10 30 AFEERN CCCC1=C(C)C[C@@H](C)C1=O 238200011 573928501 /nfs/dbraw/zinc/92/85/01/573928501.db2.gz WEHYDYMEOYHHAN-MRVPVSSYSA-N 0 0 152.237 2.712 10 30 AFEERN N#C[C@@H]1CCO[C@@H]1CC1CCCCC1 87474384 573927338 /nfs/dbraw/zinc/92/73/38/573927338.db2.gz QKIJOMTVDDICRP-NWDGAFQWSA-N 0 0 193.290 2.885 10 30 AFEERN C=C1CCCC(C)(C)[C@@]1(Cl)C=O 238199314 573927346 /nfs/dbraw/zinc/92/73/46/573927346.db2.gz UKFPMKVRIWNGNE-SNVBAGLBSA-N 0 0 186.682 2.929 10 30 AFEERN CC[C@H](C#N)Cc1ccccc1F 259241347 573927520 /nfs/dbraw/zinc/92/75/20/573927520.db2.gz HSZJFSRTMGQVOW-VIFPVBQESA-N 0 0 177.222 2.918 10 30 AFEERN CC[C@@H](C#N)Cc1ccccc1F 259241336 573927638 /nfs/dbraw/zinc/92/76/38/573927638.db2.gz HSZJFSRTMGQVOW-SECBINFHSA-N 0 0 177.222 2.918 10 30 AFEERN CC1(C)CC(=O)C2=CCCC[C@H]21 238199062 573928658 /nfs/dbraw/zinc/92/86/58/573928658.db2.gz QVGLDLGZLJAWDQ-SECBINFHSA-N 0 0 164.248 2.712 10 30 AFEERN C[C@@H](F)[C@@H](C#N)C1CCCC1 258458937 573927695 /nfs/dbraw/zinc/92/76/95/573927695.db2.gz GUNBCJSTEGMXJS-VXNVDRBHSA-N 0 0 155.216 2.674 10 30 AFEERN C=C1C(CC)=C(C)C(=O)[C@H]1CC 224741834 573927728 /nfs/dbraw/zinc/92/77/28/573927728.db2.gz NVMRAJYBWGSJSR-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C=C1CCCC(C)(C)[C@]1(C)CO 238199089 573928032 /nfs/dbraw/zinc/92/80/32/573928032.db2.gz MKIRFLRFNBSEGA-LLVKDONJSA-N 0 0 168.280 2.751 10 30 AFEERN C=CC[C@@H]1C=CCCCC[C@H]1O 205539084 573928054 /nfs/dbraw/zinc/92/80/54/573928054.db2.gz OAFSODVVGLSGST-GHMZBOCLSA-N 0 0 166.264 2.670 10 30 AFEERN C[C@H](F)[C@@H](C#N)C1CCCC1 258458934 573928142 /nfs/dbraw/zinc/92/81/42/573928142.db2.gz GUNBCJSTEGMXJS-IONNQARKSA-N 0 0 155.216 2.674 10 30 AFEERN N#C[C@H]1CCO[C@H]1CC1CCCCC1 87474389 573928289 /nfs/dbraw/zinc/92/82/89/573928289.db2.gz QKIJOMTVDDICRP-NEPJUHHUSA-N 0 0 193.290 2.885 10 30 AFEERN N#C[C@H]1CCO[C@@H]1CC1CCCCC1 87474387 573928337 /nfs/dbraw/zinc/92/83/37/573928337.db2.gz QKIJOMTVDDICRP-VXGBXAGGSA-N 0 0 193.290 2.885 10 30 AFEERN CC1=CC(=O)[C@H]2CC(C)=C(C)C[C@@H]12 238198868 573928346 /nfs/dbraw/zinc/92/83/46/573928346.db2.gz XQXSIWFTDVTXJC-QWRGUYRKSA-N 0 0 176.259 2.878 10 30 AFEERN C=CCC[C@H](NN)[C@@H]1CC[C@@H](CC)C1 233911786 573928388 /nfs/dbraw/zinc/92/83/88/573928388.db2.gz DLZYGNPEDBDNIB-UTUOFQBUSA-N 0 0 196.338 2.611 10 30 AFEERN CCCc1csc(CCCC#N)n1 259240455 573928409 /nfs/dbraw/zinc/92/84/09/573928409.db2.gz KTEBLYBIECDVGY-UHFFFAOYSA-N 0 0 194.303 2.942 10 30 AFEERN C#CCC[C@H]1C(=O)CCCC1(C)C 238199576 573928534 /nfs/dbraw/zinc/92/85/34/573928534.db2.gz UXRVPGAZGSLNJF-JTQLQIEISA-N 0 0 178.275 2.795 10 30 AFEERN C=C1CCCC(C)(C)C(=O)C1 238198857 573928672 /nfs/dbraw/zinc/92/86/72/573928672.db2.gz UTTKSJRWSOHORD-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CC(=O)C(=O)CC1CCCCC1 258520913 573928691 /nfs/dbraw/zinc/92/86/91/573928691.db2.gz GFURBGHLWOJCCY-YFHOEESVSA-N 0 0 168.236 2.598 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)c1c[nH]c2ccccc12 259016162 573928762 /nfs/dbraw/zinc/92/87/62/573928762.db2.gz PBKJFCBKCDATKD-RNCFNFMXSA-N 0 0 196.253 2.969 10 30 AFEERN O=C1C=CO[C@@H](CC2CCCCC2)C1 87474301 573928778 /nfs/dbraw/zinc/92/87/78/573928778.db2.gz YAWILDIVRIGSQJ-LBPRGKRZSA-N 0 0 194.274 2.829 10 30 AFEERN C=C1CCCC(C)(C)C[C@H]1CO 238199163 573928869 /nfs/dbraw/zinc/92/88/69/573928869.db2.gz PUBMQPYZYAWFBS-JTQLQIEISA-N 0 0 168.280 2.751 10 30 AFEERN CC1(C)CCCC(=O)[C@H]1CCC#N 238199818 573929051 /nfs/dbraw/zinc/92/90/51/573929051.db2.gz GKTXALLURIHEQA-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN CC(C)(C#N)[C@@H](O)CC1CCCCC1 87474722 573929083 /nfs/dbraw/zinc/92/90/83/573929083.db2.gz NQTMVZFRGFTMSP-NSHDSACASA-N 0 0 195.306 2.867 10 30 AFEERN C=C1C(CCC)=CC(=O)[C@H]1CC 224742024 573929112 /nfs/dbraw/zinc/92/91/12/573929112.db2.gz KBBOFFMJOLFZHS-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN O=C1C=CO[C@H](CC2CCCCC2)C1 87474299 573929199 /nfs/dbraw/zinc/92/91/99/573929199.db2.gz YAWILDIVRIGSQJ-GFCCVEGCSA-N 0 0 194.274 2.829 10 30 AFEERN N#CCc1ccccc1C1(C#N)CCC1 238550618 573929225 /nfs/dbraw/zinc/92/92/25/573929225.db2.gz VNILNCGMSKPTCG-UHFFFAOYSA-N 0 0 196.253 2.698 10 30 AFEERN Cc1cc(O)c(C#N)c2ccsc12 306816463 573929252 /nfs/dbraw/zinc/92/92/52/573929252.db2.gz BDZAKSOGPSTPSB-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=C1C(CC)=C(C)C(=O)[C@@H]1CC 224741790 573929441 /nfs/dbraw/zinc/92/94/41/573929441.db2.gz NVMRAJYBWGSJSR-SNVBAGLBSA-N 0 0 164.248 2.878 10 30 AFEERN CCC(C)(C)Nc1ccncc1C#N 306816489 573929502 /nfs/dbraw/zinc/92/95/02/573929502.db2.gz BEKURUIYZUHOAL-UHFFFAOYSA-N 0 0 189.262 2.554 10 30 AFEERN C#CC[C@@]1(C)C(C)=CC(C)=C(C)[C@H]1O 238200172 573929577 /nfs/dbraw/zinc/92/95/77/573929577.db2.gz KXIASRZERHFMCS-OLZOCXBDSA-N 0 0 190.286 2.673 10 30 AFEERN C=C1C(C)=C(CC)C(=O)[C@@H]1CC 224741550 573929584 /nfs/dbraw/zinc/92/95/84/573929584.db2.gz VLOAYSZVZTZVDV-SECBINFHSA-N 0 0 164.248 2.878 10 30 AFEERN C[C@H](F)[C@H](C#N)C1CCCC1 258458932 573929696 /nfs/dbraw/zinc/92/96/96/573929696.db2.gz GUNBCJSTEGMXJS-CBAPKCEASA-N 0 0 155.216 2.674 10 30 AFEERN CCCC1=C(C(C)=O)CCC1 238199657 573929720 /nfs/dbraw/zinc/92/97/20/573929720.db2.gz FWTDLQMDWMGEDB-UHFFFAOYSA-N 0 0 152.237 2.856 10 30 AFEERN CC1(C)CCCC(=O)[C@@H]1CCC#N 238199601 573929773 /nfs/dbraw/zinc/92/97/73/573929773.db2.gz GKTXALLURIHEQA-VIFPVBQESA-N 0 0 179.263 2.686 10 30 AFEERN C=C1C[C@H](CCC)O[C@H](CCC)[C@H]1O 308464779 573929811 /nfs/dbraw/zinc/92/98/11/573929811.db2.gz FOHNEZXBIKTOSN-TUAOUCFPSA-N 0 0 198.306 2.661 10 30 AFEERN C[C@H]1C[C@@]1(C#N)c1c[nH]c2ccccc12 259016173 573929842 /nfs/dbraw/zinc/92/98/42/573929842.db2.gz PBKJFCBKCDATKD-ZANVPECISA-N 0 0 196.253 2.969 10 30 AFEERN CC(C)[C@H](NCC#N)c1cccs1 42237228 573931778 /nfs/dbraw/zinc/93/17/78/573931778.db2.gz OJIKLERMZMDYHC-JTQLQIEISA-N 0 0 194.303 2.558 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)c1ccc(F)c(F)c1 259013129 573930698 /nfs/dbraw/zinc/93/06/98/573930698.db2.gz OOIRAXIFFHLWHI-HQJQHLMTSA-N 0 0 193.196 2.766 10 30 AFEERN N#Cc1cc2sc(F)cc2cc1O 306826113 573930711 /nfs/dbraw/zinc/93/07/11/573930711.db2.gz ZHGGEGXEYLIARY-UHFFFAOYSA-N 0 0 193.202 2.618 10 30 AFEERN C=CC[C@H](C)Sc1ccncc1N 715069316 573930714 /nfs/dbraw/zinc/93/07/14/573930714.db2.gz LULHAAUHARSMLP-QMMMGPOBSA-N 0 0 194.303 2.721 10 30 AFEERN CCC[C@H](C#N)C(O)(C(C)C)C(C)C 308470970 573930743 /nfs/dbraw/zinc/93/07/43/573930743.db2.gz JFYKFBMFCOGHMP-LLVKDONJSA-N 0 0 197.322 2.969 10 30 AFEERN C=C1CCCC(C)(C)C[C@@H]1CO 238198894 573930837 /nfs/dbraw/zinc/93/08/37/573930837.db2.gz PUBMQPYZYAWFBS-SNVBAGLBSA-N 0 0 168.280 2.751 10 30 AFEERN CCC(=O)c1ccc(C#N)c(CC)c1 306816344 573930840 /nfs/dbraw/zinc/93/08/40/573930840.db2.gz IPDRIUAZXNSMNW-UHFFFAOYSA-N 0 0 187.242 2.713 10 30 AFEERN Cc1csc2cc(C#N)cc(O)c12 306822157 573930905 /nfs/dbraw/zinc/93/09/05/573930905.db2.gz QHBDPFVOJSVCCB-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C[C@H]1C[C@]1(C#N)c1c[nH]c2ccccc12 259016168 573930981 /nfs/dbraw/zinc/93/09/81/573930981.db2.gz PBKJFCBKCDATKD-TVQRCGJNSA-N 0 0 196.253 2.969 10 30 AFEERN C=CCN(CC)c1ccc(C=O)s1 131741197 573930990 /nfs/dbraw/zinc/93/09/90/573930990.db2.gz RSPHMQSOSVYIEU-UHFFFAOYSA-N 0 0 195.287 2.573 10 30 AFEERN C#CCC[C@@H]1C(=O)CCCC1(C)C 238199800 573931139 /nfs/dbraw/zinc/93/11/39/573931139.db2.gz UXRVPGAZGSLNJF-SNVBAGLBSA-N 0 0 178.275 2.795 10 30 AFEERN C[C@@H](F)[C@@H](CC#N)C1CCC1 258460306 573931156 /nfs/dbraw/zinc/93/11/56/573931156.db2.gz GYYQCODNVFOTJV-VXNVDRBHSA-N 0 0 155.216 2.674 10 30 AFEERN CCC1=C(CC)C2(CC2)CC1=O 238199828 573931176 /nfs/dbraw/zinc/93/11/76/573931176.db2.gz GRCRQDMIIAEGCW-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C=C1CCCC(C)(C)[C@@]1(C)CO 238199302 573931203 /nfs/dbraw/zinc/93/12/03/573931203.db2.gz MKIRFLRFNBSEGA-NSHDSACASA-N 0 0 168.280 2.751 10 30 AFEERN C=C[C@@H](C)CC(=S)NC(C)(C)C 238392713 573931219 /nfs/dbraw/zinc/93/12/19/573931219.db2.gz CPXAJHHJFMURQV-MRVPVSSYSA-N 0 0 185.336 2.914 10 30 AFEERN CCC[C@@H](C#N)C(O)(C(C)C)C(C)C 308470971 573931276 /nfs/dbraw/zinc/93/12/76/573931276.db2.gz JFYKFBMFCOGHMP-NSHDSACASA-N 0 0 197.322 2.969 10 30 AFEERN C=C(CC)C[C@H](O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716436224 573931320 /nfs/dbraw/zinc/93/13/20/573931320.db2.gz HNZIFDYQDWCHLK-YYHQMBLXSA-N 0 0 194.318 2.996 10 30 AFEERN CC1(C)CCC=C[C@H]1CC=O 238198629 573931341 /nfs/dbraw/zinc/93/13/41/573931341.db2.gz QUTWRTIDSSZIPB-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN C=C1OC(C)=CC(=O)C1CCC 238200074 573931470 /nfs/dbraw/zinc/93/14/70/573931470.db2.gz CZSORFWFTBANBD-UHFFFAOYSA-N 0 0 166.220 2.564 10 30 AFEERN Cc1nc(C)c(C2(C#N)CCC2)s1 259243775 573931585 /nfs/dbraw/zinc/93/15/85/573931585.db2.gz JZCNDECMGCVYLV-UHFFFAOYSA-N 0 0 192.287 2.705 10 30 AFEERN Cc1cc2ccsc2c(C#N)c1N 306823669 573932960 /nfs/dbraw/zinc/93/29/60/573932960.db2.gz UFCRQMLNKZSXTC-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CC1=CC(=O)[C@@H]2CC(C)=C(C)C[C@@H]12 238197354 573932682 /nfs/dbraw/zinc/93/26/82/573932682.db2.gz XQXSIWFTDVTXJC-WDEREUQCSA-N 0 0 176.259 2.878 10 30 AFEERN CC(C)[C@@H](C)CC1=CC(=O)CC1 238196341 573932889 /nfs/dbraw/zinc/93/28/89/573932889.db2.gz WPWXQJFKPJODPS-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN Cc1cc([C@@]2(C#N)C[C@@H]2C)ccc1F 259017347 573934782 /nfs/dbraw/zinc/93/47/82/573934782.db2.gz PCLPMFNCAHZAGE-JOYOIKCWSA-N 0 0 189.233 2.935 10 30 AFEERN COc1ccccc1C(F)(F)CC#N 259019533 573934816 /nfs/dbraw/zinc/93/48/16/573934816.db2.gz PNFDAQFTZAPJIK-UHFFFAOYSA-N 0 0 197.184 2.701 10 30 AFEERN CC(C)(C=O)C1=CCCC(C)(C)C1=O 238197442 573935051 /nfs/dbraw/zinc/93/50/51/573935051.db2.gz KLLCDFYRGQVWEK-UHFFFAOYSA-N 0 0 194.274 2.527 10 30 AFEERN C[C@H](F)[C@H](CC#N)C1CCC1 258460302 573935062 /nfs/dbraw/zinc/93/50/62/573935062.db2.gz GYYQCODNVFOTJV-CBAPKCEASA-N 0 0 155.216 2.674 10 30 AFEERN Cc1cc([C@]2(C#N)C[C@H]2C)ccc1F 259017349 573935117 /nfs/dbraw/zinc/93/51/17/573935117.db2.gz PCLPMFNCAHZAGE-SKDRFNHKSA-N 0 0 189.233 2.935 10 30 AFEERN C=C[C@@H]1CC(C)=C(C)C[C@H]1C=O 238196815 573935184 /nfs/dbraw/zinc/93/51/84/573935184.db2.gz QEUBWOOXUZDLNP-MNOVXSKESA-N 0 0 164.248 2.734 10 30 AFEERN CC(F)(F)[C@@H](C=O)C1CCCC1 257905021 573935232 /nfs/dbraw/zinc/93/52/32/573935232.db2.gz PMVQBHKIWRTJMY-QMMMGPOBSA-N 0 0 176.206 2.647 10 30 AFEERN CC(C)[C@@](Cl)(C=O)c1ccccc1 238197298 573935237 /nfs/dbraw/zinc/93/52/37/573935237.db2.gz WNOQHZAPPQIENC-NSHDSACASA-N 0 0 196.677 2.976 10 30 AFEERN C[C@@]1(C#N)C[C@H]1c1ccc2c(c1)CCO2 259019465 573935324 /nfs/dbraw/zinc/93/53/24/573935324.db2.gz PLTQUUCAVMGRBF-AAEUAGOBSA-N 0 0 199.253 2.639 10 30 AFEERN Cc1cc([C@]2(C#N)C[C@@H]2C)ccc1F 259017346 573935703 /nfs/dbraw/zinc/93/57/03/573935703.db2.gz PCLPMFNCAHZAGE-CABZTGNLSA-N 0 0 189.233 2.935 10 30 AFEERN Cc1c(C#N)sc2cccc(O)c12 306829701 573935758 /nfs/dbraw/zinc/93/57/58/573935758.db2.gz IBOZGPMSOCNBPX-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=CC(=O)[C@H]1CCC(C)=C(C)C1 238196522 573935886 /nfs/dbraw/zinc/93/58/86/573935886.db2.gz GOTONQDIJFWDDK-JTQLQIEISA-N 0 0 164.248 2.878 10 30 AFEERN C[C@@]1(C#N)C[C@@H]1c1ccc2c(c1)CCO2 259019471 573935902 /nfs/dbraw/zinc/93/59/02/573935902.db2.gz PLTQUUCAVMGRBF-YPMHNXCESA-N 0 0 199.253 2.639 10 30 AFEERN C=CCNc1ccccc1[C@@H](O)C=C 238721997 573936038 /nfs/dbraw/zinc/93/60/38/573936038.db2.gz WIVALKJCOVXUHL-LBPRGKRZSA-N 0 0 189.258 2.504 10 30 AFEERN C#CC[C@@H](O)C(C1CCC1)C1CCC1 308465795 573936044 /nfs/dbraw/zinc/93/60/44/573936044.db2.gz HTXNOPRARWUJGC-GFCCVEGCSA-N 0 0 192.302 2.587 10 30 AFEERN CCCCC#CC#C[C@H](O)C(C)(C)C 238214026 573936320 /nfs/dbraw/zinc/93/63/20/573936320.db2.gz KEMSCHNIOBPEMX-LBPRGKRZSA-N 0 0 192.302 2.590 10 30 AFEERN C[C@@H](CC=O)c1ccc2oncc2c1 258184443 573939046 /nfs/dbraw/zinc/93/90/46/573939046.db2.gz WXRBPALZHUITRK-QMMMGPOBSA-N 0 0 189.214 2.520 10 30 AFEERN CC1=CC[C@](C)(C(C)C)C1=O 238201250 573939079 /nfs/dbraw/zinc/93/90/79/573939079.db2.gz GCJAGPOKRWRCET-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN C#CC(CC)(CC)[C@H]1CCCC1=O 238201199 573939126 /nfs/dbraw/zinc/93/91/26/573939126.db2.gz WMBOAJDVOCGPBB-JTQLQIEISA-N 0 0 178.275 2.795 10 30 AFEERN CC1=C[C@@](C)(C(C)C)CC1=O 238201035 573939181 /nfs/dbraw/zinc/93/91/81/573939181.db2.gz DNGBELKUAAXXGR-SNVBAGLBSA-N 0 0 152.237 2.568 10 30 AFEERN CCCCCCCC(=O)[C@@H]1C[C@@H]1OC 690016691 573939353 /nfs/dbraw/zinc/93/93/53/573939353.db2.gz ACMZPZURCHEFSW-JQWIXIFHSA-N 0 0 198.306 2.951 10 30 AFEERN CCCC1=CC(=O)[C@](C)(Cl)C1 238201201 573939361 /nfs/dbraw/zinc/93/93/61/573939361.db2.gz CICLXEPSLAHSIB-SECBINFHSA-N 0 0 172.655 2.683 10 30 AFEERN C#CC(CC)(CC)[C@@H]1CCCC1=O 238201177 573939678 /nfs/dbraw/zinc/93/96/78/573939678.db2.gz WMBOAJDVOCGPBB-SNVBAGLBSA-N 0 0 178.275 2.795 10 30 AFEERN C=C[C@H](O)CCC(C)(C=C)C=C 238201353 573939707 /nfs/dbraw/zinc/93/97/07/573939707.db2.gz UZTPXKGHSNCHMT-JTQLQIEISA-N 0 0 166.264 2.692 10 30 AFEERN CC(C)[C@]1(C=O)CCc2ccccc21 238214676 573941931 /nfs/dbraw/zinc/94/19/31/573941931.db2.gz KITCJDPAVJGIKR-CYBMUJFWSA-N 0 0 188.270 2.726 10 30 AFEERN CC1=C(C)[C@@](C)(CC=O)CC1 238201227 573941939 /nfs/dbraw/zinc/94/19/39/573941939.db2.gz CSPFRMIKERJNCQ-SNVBAGLBSA-N 0 0 152.237 2.712 10 30 AFEERN CC1=C2C(=O)C[C@@H](CC1)C2(C)C 238214960 573941822 /nfs/dbraw/zinc/94/18/22/573941822.db2.gz XCHWEXHJAYAWMQ-MRVPVSSYSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@H](O)CC(=C=C(C)C)CC 238200948 573941874 /nfs/dbraw/zinc/94/18/74/573941874.db2.gz LRGFOVIHGSNKMU-LLVKDONJSA-N 0 0 166.264 2.825 10 30 AFEERN CC1(C)C(=C=C2CCCC2)[C@@H]1C=O 238203443 573943915 /nfs/dbraw/zinc/94/39/15/573943915.db2.gz ACJJKEBAFVDDFQ-NSHDSACASA-N 0 0 176.259 2.867 10 30 AFEERN C#CC[C@H]1CC[C@@](C)(C=O)C1(C)C 238203871 573943933 /nfs/dbraw/zinc/94/39/33/573943933.db2.gz FMQYGNPRXJUEBO-JQWIXIFHSA-N 0 0 178.275 2.651 10 30 AFEERN COc1ccc([C@@H]2O[C@@H]2C)c(C)c1C 259247023 573943946 /nfs/dbraw/zinc/94/39/46/573943946.db2.gz KOIQZMMAYNLPBY-BXKDBHETSA-N 0 0 192.258 2.772 10 30 AFEERN C=C(C)[C@](C)(Cl)C(=O)C(C)C 238201821 573943947 /nfs/dbraw/zinc/94/39/47/573943947.db2.gz LIIYNXGANLHRLI-VIFPVBQESA-N 0 0 174.671 2.785 10 30 AFEERN CCSc1c(C)cccc1C#N 79198077 573944092 /nfs/dbraw/zinc/94/40/92/573944092.db2.gz WLSRPVWAFXXZJV-UHFFFAOYSA-N 0 0 177.272 2.979 10 30 AFEERN COc1ccc([C@H]2O[C@@H]2C)c(C)c1C 259247035 573944207 /nfs/dbraw/zinc/94/42/07/573944207.db2.gz KOIQZMMAYNLPBY-SKDRFNHKSA-N 0 0 192.258 2.772 10 30 AFEERN C=C[C@@H]1[C@H]2CC(=O)C=C2CC1(C)C 238205312 573948290 /nfs/dbraw/zinc/94/82/90/573948290.db2.gz GLEQTXQVFZEJGN-WDEREUQCSA-N 0 0 176.259 2.734 10 30 AFEERN C=C=C([C@H](O)CC=C)[Si](C)(C)C 215018454 573948823 /nfs/dbraw/zinc/94/88/23/573948823.db2.gz UEKBDTHSKIDKJK-SECBINFHSA-N 0 0 182.339 2.512 10 30 AFEERN C=C[C@]1(C(C)C)CCC[C@H]1CO 238204318 573946793 /nfs/dbraw/zinc/94/67/93/573946793.db2.gz WMXICRLNLLJGAA-WDEREUQCSA-N 0 0 168.280 2.607 10 30 AFEERN C=C1[C@@H](CC(C)=O)[C@]1(C)C(C)C 238204239 573948369 /nfs/dbraw/zinc/94/83/69/573948369.db2.gz FHQXULFBVGNGCK-GHMZBOCLSA-N 0 0 166.264 2.814 10 30 AFEERN C=C=C([C@H](O)[C@@H](C)C=C)[Si](C)(C)C 215018653 573948796 /nfs/dbraw/zinc/94/87/96/573948796.db2.gz VQMHLUDKTWDFSF-GXSJLCMTSA-N 0 0 196.366 2.758 10 30 AFEERN C=CCC(=O)Cc1ccc(F)cc1 42394558 573950128 /nfs/dbraw/zinc/95/01/28/573950128.db2.gz JGCJOUUAJHCMNW-UHFFFAOYSA-N 0 0 178.206 2.513 10 30 AFEERN CC(C)[C@H](O)C#C[C@H](C)[Si](C)(C)C 238208165 573950488 /nfs/dbraw/zinc/95/04/88/573950488.db2.gz VELXQWIEQOTGQF-WDEREUQCSA-N 0 0 198.382 2.735 10 30 AFEERN C=CCC(=O)C(C)(C)C(C)C 238206364 573948338 /nfs/dbraw/zinc/94/83/38/573948338.db2.gz BBAAQOBRYYETAG-UHFFFAOYSA-N 0 0 154.253 2.814 10 30 AFEERN CC1(C)CC2=C(C=CC=CC2)C1=O 238205028 573948435 /nfs/dbraw/zinc/94/84/35/573948435.db2.gz PNFSJRJFENPDGW-UHFFFAOYSA-N 0 0 174.243 2.798 10 30 AFEERN C=C[C@]1(C(C)C)CCC[C@@]1(C)CO 238204301 573948484 /nfs/dbraw/zinc/94/84/84/573948484.db2.gz KRWPZRWTCAVXPD-NWDGAFQWSA-N 0 0 182.307 2.997 10 30 AFEERN CC[C@H](C)C[C@H]1CC[C@@H](CC#N)O1 394414962 573948520 /nfs/dbraw/zinc/94/85/20/573948520.db2.gz KHCIQDZBRICDTF-GARJFASQSA-N 0 0 181.279 2.884 10 30 AFEERN C=CC[C@H](O)Cc1ccc(Cl)cc1 42394683 573950497 /nfs/dbraw/zinc/95/04/97/573950497.db2.gz RBTHEISKIHGAOP-NSHDSACASA-N 0 0 196.677 2.820 10 30 AFEERN CC1=C(CC#N)C(C)(C)[C@H](CO)CC1 238206217 573948686 /nfs/dbraw/zinc/94/86/86/573948686.db2.gz BERIBTOAVWSVMP-JTQLQIEISA-N 0 0 193.290 2.645 10 30 AFEERN C=C[C@]1(C(C)C)CCC[C@]1(C)CO 238204333 573948819 /nfs/dbraw/zinc/94/88/19/573948819.db2.gz KRWPZRWTCAVXPD-VXGBXAGGSA-N 0 0 182.307 2.997 10 30 AFEERN CCCN(CC#N)CCC(C)(C)C 45092765 573948877 /nfs/dbraw/zinc/94/88/77/573948877.db2.gz TZDXLARNNBLEIQ-UHFFFAOYSA-N 0 0 182.311 2.658 10 30 AFEERN C=C=C([C@@H](O)CC=C)[Si](C)(C)C 215018501 573948940 /nfs/dbraw/zinc/94/89/40/573948940.db2.gz UEKBDTHSKIDKJK-VIFPVBQESA-N 0 0 182.339 2.512 10 30 AFEERN C=C[C@H]1[C@@H]2CC(=O)C=C2CC1(C)C 238205355 573949178 /nfs/dbraw/zinc/94/91/78/573949178.db2.gz GLEQTXQVFZEJGN-MNOVXSKESA-N 0 0 176.259 2.734 10 30 AFEERN C=C1[C@H](CC(C)=O)[C@]1(C)C(C)C 238204151 573949475 /nfs/dbraw/zinc/94/94/75/573949475.db2.gz FHQXULFBVGNGCK-WDEREUQCSA-N 0 0 166.264 2.814 10 30 AFEERN CC(F)(F)[C@H](C=O)c1ccccc1 257913874 573949712 /nfs/dbraw/zinc/94/97/12/573949712.db2.gz QPQVFUPMTVBTBW-SECBINFHSA-N 0 0 184.185 2.624 10 30 AFEERN C=CCCCCC[C@H](CCC)NN 233286319 573949771 /nfs/dbraw/zinc/94/97/71/573949771.db2.gz RNRNEGNKXTWIMM-NSHDSACASA-N 0 0 184.327 2.755 10 30 AFEERN CC1(C)CCC[C@]2(C)/C(=N/N)CC[C@H]12 110496537 573949774 /nfs/dbraw/zinc/94/97/74/573949774.db2.gz MZZHUVBYCAEREK-JHZWRWFKSA-N 0 0 194.322 2.928 10 30 AFEERN CCCCCCN(CC#N)CCC 45092646 573949909 /nfs/dbraw/zinc/94/99/09/573949909.db2.gz GVUXOOLWALWQDR-UHFFFAOYSA-N 0 0 182.311 2.802 10 30 AFEERN Cc1cc(C)c([C@@H](O)CS)cc1C 259249184 573949940 /nfs/dbraw/zinc/94/99/40/573949940.db2.gz PPYAWFSBKVRWQZ-NSHDSACASA-N 0 0 196.315 2.575 10 30 AFEERN C=C=C([C@H](O)[C@H](C)C=C)[Si](C)(C)C 215018701 573949999 /nfs/dbraw/zinc/94/99/99/573949999.db2.gz VQMHLUDKTWDFSF-MWLCHTKSSA-N 0 0 196.366 2.758 10 30 AFEERN C=CCCCC(=O)c1cncs1 87572861 573950161 /nfs/dbraw/zinc/95/01/61/573950161.db2.gz PGVZSJKUDVYGPR-UHFFFAOYSA-N 0 0 181.260 2.682 10 30 AFEERN C=CCC(=O)Cc1cccc(F)c1 42394620 573950226 /nfs/dbraw/zinc/95/02/26/573950226.db2.gz CJZTUOCVDJGUEB-UHFFFAOYSA-N 0 0 178.206 2.513 10 30 AFEERN CC(C)[C@H](O)C#CC1=CCCCC1 238207845 573950302 /nfs/dbraw/zinc/95/03/02/573950302.db2.gz GHKUKHKWOILZBR-GFCCVEGCSA-N 0 0 178.275 2.507 10 30 AFEERN C=CCCC1=C(C)CCC1=O 238207884 573950554 /nfs/dbraw/zinc/95/05/54/573950554.db2.gz CAJNFFHUNWTNBE-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN CC1=C(CCC=O)CC1(C)C 238208153 573950566 /nfs/dbraw/zinc/95/05/66/573950566.db2.gz OYECBPPEJYOTSU-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN O=CCCc1cccc(CC(F)F)c1 258187002 573950607 /nfs/dbraw/zinc/95/06/07/573950607.db2.gz XBVBQEACEIEMIJ-UHFFFAOYSA-N 0 0 198.212 2.626 10 30 AFEERN CC1(C)CCC[C@@]2(C)/C(=N/N)CC[C@H]12 110496531 573950660 /nfs/dbraw/zinc/95/06/60/573950660.db2.gz MZZHUVBYCAEREK-SZPPSFLGSA-N 0 0 194.322 2.928 10 30 AFEERN CC1=C(CCC=O)C(C)(C)C1 238208087 573950670 /nfs/dbraw/zinc/95/06/70/573950670.db2.gz KICUYBPZKBXNRD-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN CCCC1=C2CCC[C@@H]2CC1=O 238207039 573950680 /nfs/dbraw/zinc/95/06/80/573950680.db2.gz GBDGHNQLVBVABL-MRVPVSSYSA-N 0 0 164.248 2.856 10 30 AFEERN C=CC/C=C1\CC[C@H](CO)C1(C)C 238206595 573950726 /nfs/dbraw/zinc/95/07/26/573950726.db2.gz CEOCMBIEHMHDCC-CDCCAWJDSA-N 0 0 180.291 2.917 10 30 AFEERN N#C[C@H](Nc1ccccc1)C1CCC1 87585175 573953034 /nfs/dbraw/zinc/95/30/34/573953034.db2.gz NDHFGTBGKUHPBU-LBPRGKRZSA-N 0 0 186.258 2.791 10 30 AFEERN N#C[C@@H](Nc1ccccc1)C1CCC1 87585176 573953100 /nfs/dbraw/zinc/95/31/00/573953100.db2.gz NDHFGTBGKUHPBU-GFCCVEGCSA-N 0 0 186.258 2.791 10 30 AFEERN Cc1cc(OC(C)C)c(F)cc1C#N 238208092 573952791 /nfs/dbraw/zinc/95/27/91/573952791.db2.gz YAFGCHFJJWKDKH-UHFFFAOYSA-N 0 0 193.221 2.793 10 30 AFEERN CC(C)Oc1cc(C#N)ccc1Cl 238207466 573953190 /nfs/dbraw/zinc/95/31/90/573953190.db2.gz MONABXVRTZNUSL-UHFFFAOYSA-N 0 0 195.649 2.999 10 30 AFEERN N#C[C@H]1CCC[C@@H](C2CC2)C1 81626490 573954464 /nfs/dbraw/zinc/95/44/64/573954464.db2.gz RHCVHZMVJBGKNS-WCBMZHEXSA-N 0 0 149.237 2.726 10 30 AFEERN Cc1ccccc1[C@@H](F)CC=O 258462031 573954191 /nfs/dbraw/zinc/95/41/91/573954191.db2.gz HFETZXHBWVJCSF-JTQLQIEISA-N 0 0 166.195 2.595 10 30 AFEERN C=C/C=C\[C@@H](CCCCC)OCC=O 35923682 573954244 /nfs/dbraw/zinc/95/42/44/573954244.db2.gz IUVCPIAGPMJAEK-VFFGBVLKSA-N 0 0 196.290 2.893 10 30 AFEERN C=C/C=C\[C@H](CCCCC)OCC=O 35923681 573954363 /nfs/dbraw/zinc/95/43/63/573954363.db2.gz IUVCPIAGPMJAEK-XYLWRLHESA-N 0 0 196.290 2.893 10 30 AFEERN CC[C@@H](C)Sc1cccc(C#N)n1 81622267 573956096 /nfs/dbraw/zinc/95/60/96/573956096.db2.gz XASGDRZWZUPKTN-MRVPVSSYSA-N 0 0 192.287 2.844 10 30 AFEERN C=C1CC2=C(CCC(C)(C)C2=O)O1 238209383 573956260 /nfs/dbraw/zinc/95/62/60/573956260.db2.gz HIBYTOCIOCHTCW-UHFFFAOYSA-N 0 0 178.231 2.564 10 30 AFEERN CC1(C)CCC2=CC(=O)CC[C@H]21 238209541 573956403 /nfs/dbraw/zinc/95/64/03/573956403.db2.gz ZFOHPKYDARPJHQ-SNVBAGLBSA-N 0 0 164.248 2.712 10 30 AFEERN C=C[C@@]1(C(C)C)CCC[C@]1(C)CO 238209517 573956429 /nfs/dbraw/zinc/95/64/29/573956429.db2.gz KRWPZRWTCAVXPD-NEPJUHHUSA-N 0 0 182.307 2.997 10 30 AFEERN CC1=C=CCCC(=O)/C=C/CC1 238215451 573956449 /nfs/dbraw/zinc/95/64/49/573956449.db2.gz KQNTXKQWSQVEMJ-WEVVVXLNSA-N 0 0 162.232 2.787 10 30 AFEERN C=C1[C@H](C[C@H](C)O)[C@@]1(C)C(C)C 238209290 573956598 /nfs/dbraw/zinc/95/65/98/573956598.db2.gz HCLOLQDZVVOKNL-LSJOCFKGSA-N 0 0 168.280 2.606 10 30 AFEERN N#C[C@@H]1CCC[C@@H](C2CC2)C1 81626493 573956742 /nfs/dbraw/zinc/95/67/42/573956742.db2.gz RHCVHZMVJBGKNS-PSASIEDQSA-N 0 0 149.237 2.726 10 30 AFEERN CC1(C)CCC2=CC(=O)CC[C@@H]21 238209524 573956898 /nfs/dbraw/zinc/95/68/98/573956898.db2.gz ZFOHPKYDARPJHQ-JTQLQIEISA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@H](C#N)c1nc2ccccc2o1 259250137 573956919 /nfs/dbraw/zinc/95/69/19/573956919.db2.gz QKXLCUSJISZNGN-MRVPVSSYSA-N 0 0 186.214 2.845 10 30 AFEERN N#C[C@@H](c1c[nH]c2cnccc12)C1CC1 259587388 573956961 /nfs/dbraw/zinc/95/69/61/573956961.db2.gz KYTOOJLXGURWBK-SNVBAGLBSA-N 0 0 197.241 2.580 10 30 AFEERN N#CC1([C@@H](O)C2CCC2)CCCCC1 87586538 573958001 /nfs/dbraw/zinc/95/80/01/573958001.db2.gz KCUJZYQTGZLOJW-NSHDSACASA-N 0 0 193.290 2.621 10 30 AFEERN C=C(C)[C@H](O)/C(C)=C\CCC 238211759 573958085 /nfs/dbraw/zinc/95/80/85/573958085.db2.gz LJEHPYYTSWTIRR-RNKPRXRFSA-N 0 0 154.253 2.670 10 30 AFEERN CC1(C)C(=O)C=C[C@H]2CCCC[C@H]21 238212078 573958089 /nfs/dbraw/zinc/95/80/89/573958089.db2.gz VMQZHWKNTHGHRF-NXEZZACHSA-N 0 0 178.275 2.958 10 30 AFEERN C=C1[C@H]2C(=O)CCC[C@H]2C1(C)C 238211984 573958126 /nfs/dbraw/zinc/95/81/26/573958126.db2.gz NYWTUFHBEMSXPZ-PSASIEDQSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1ccc2ccccc2c1[C@H](N)C#N 308790896 573958339 /nfs/dbraw/zinc/95/83/39/573958339.db2.gz IGDGCJBVRRGJHR-GFCCVEGCSA-N 0 0 196.253 2.672 10 30 AFEERN CC(C)[C@@]1(C=O)CCc2ccccc21 238211036 573958564 /nfs/dbraw/zinc/95/85/64/573958564.db2.gz KITCJDPAVJGIKR-ZDUSSCGKSA-N 0 0 188.270 2.726 10 30 AFEERN CC[C@@H](C#N)c1nc2ccccc2o1 259250139 573958544 /nfs/dbraw/zinc/95/85/44/573958544.db2.gz QKXLCUSJISZNGN-QMMMGPOBSA-N 0 0 186.214 2.845 10 30 AFEERN CC(C)[C@]12CC[C@H](CS)[C@H]1C2 238212397 573958548 /nfs/dbraw/zinc/95/85/48/573958548.db2.gz YLYBOGUWUPSQPP-OPRDCNLKSA-N 0 0 170.321 2.989 10 30 AFEERN CC1(C)CCC[C@@](C)(CC=O)C(=O)C1 238211449 573958553 /nfs/dbraw/zinc/95/85/53/573958553.db2.gz QOLSKHAANGWQIS-LBPRGKRZSA-N 0 0 196.290 2.751 10 30 AFEERN CC1=C(N=[N+]=[N-])C(=O)CC(C)(C)C1 238211841 573959651 /nfs/dbraw/zinc/95/96/51/573959651.db2.gz WZFHLGDYOAOPQO-UHFFFAOYSA-N 0 0 179.223 2.960 10 30 AFEERN N#CC1([C@H](O)C2CCC2)CCCCC1 87586537 573959857 /nfs/dbraw/zinc/95/98/57/573959857.db2.gz KCUJZYQTGZLOJW-LLVKDONJSA-N 0 0 193.290 2.621 10 30 AFEERN N#C[C@@H](C1CCC1)N1CCCCCC1 87585776 573959881 /nfs/dbraw/zinc/95/98/81/573959881.db2.gz UWKCLQOEXGRRSH-LBPRGKRZSA-N 0 0 192.306 2.555 10 30 AFEERN C=C1[C@@H]2C[C@@H](CCC2=O)C1(C)C 238211753 573959972 /nfs/dbraw/zinc/95/99/72/573959972.db2.gz DFQYAHBWOATILK-BDAKNGLRSA-N 0 0 164.248 2.568 10 30 AFEERN CCc1nc(C2(C#N)CC2)sc1C 259250948 573960090 /nfs/dbraw/zinc/96/00/90/573960090.db2.gz KUCBAJWDLNYBRA-UHFFFAOYSA-N 0 0 192.287 2.569 10 30 AFEERN C=C[C@]1(C)C[C@H]2[C@@H](CC1=O)C2(C)C 238211076 573960283 /nfs/dbraw/zinc/96/02/83/573960283.db2.gz GZNQHDZUUOZORN-VDDIYKPWSA-N 0 0 178.275 2.814 10 30 AFEERN C=C1C(=O)[C@@H]2CCC[C@H]2C1(C)C 238212402 573960505 /nfs/dbraw/zinc/96/05/05/573960505.db2.gz GFJYYNWCIXRJAA-RKDXNWHRSA-N 0 0 164.248 2.568 10 30 AFEERN CC1(C)CCC[C@@](C)(CCC#N)[C@@H]1O 238211492 573960407 /nfs/dbraw/zinc/96/04/07/573960407.db2.gz RSIQYFBAGXSTNO-PWSUYJOCSA-N 0 0 195.306 2.867 10 30 AFEERN CC1=CC[C@]2(C)CCC[C@@H]2C1=O 197144119 573960460 /nfs/dbraw/zinc/96/04/60/573960460.db2.gz OAXXZVBNDGSIAT-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CC[C@H](F)CNc1cccc(C#N)c1 306948580 573960489 /nfs/dbraw/zinc/96/04/89/573960489.db2.gz UCHCNNDFEKTMDP-JTQLQIEISA-N 0 0 192.237 2.718 10 30 AFEERN C=C1CC[C@@H]2[C@@H](CC1=O)C2(C)C 238211605 573960570 /nfs/dbraw/zinc/96/05/70/573960570.db2.gz YXRXMOODBXUWEA-RKDXNWHRSA-N 0 0 164.248 2.568 10 30 AFEERN CC1(C)CCC[C@@](C)(CCC=O)[C@H]1O 238211615 573960577 /nfs/dbraw/zinc/96/05/77/573960577.db2.gz BJSYGYUGACMMMN-JQWIXIFHSA-N 0 0 198.306 2.543 10 30 AFEERN CC1(C)CCC[C@@](C)(CCC#N)[C@H]1O 238211525 573960608 /nfs/dbraw/zinc/96/06/08/573960608.db2.gz RSIQYFBAGXSTNO-JQWIXIFHSA-N 0 0 195.306 2.867 10 30 AFEERN CC1(C)CCC[C@@](C)(CCC=O)[C@@H]1O 238211599 573961092 /nfs/dbraw/zinc/96/10/92/573961092.db2.gz BJSYGYUGACMMMN-PWSUYJOCSA-N 0 0 198.306 2.543 10 30 AFEERN C#CCC[C@@H]([NH2+]CC)c1ccc(C)o1 127872633 573961147 /nfs/dbraw/zinc/96/11/47/573961147.db2.gz GGDJUGUHNBKEPP-LLVKDONJSA-N 0 0 191.274 2.652 10 30 AFEERN CC1(C)C(=O)C=C[C@@H]2CCC[C@H]21 238212418 573961369 /nfs/dbraw/zinc/96/13/69/573961369.db2.gz PEAXOYRUNHXJSN-DTWKUNHWSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=CC[C@@]2(C)CCC[C@H]2C1=O 197144162 573961383 /nfs/dbraw/zinc/96/13/83/573961383.db2.gz OAXXZVBNDGSIAT-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN CC1(C)[C@@H]2CC[C@@]1(C)C=CC2=O 238215468 573961635 /nfs/dbraw/zinc/96/16/35/573961635.db2.gz JRYYZHMQHLTZAK-KCJUWKMLSA-N 0 0 164.248 2.568 10 30 AFEERN Cc1ccc2c(c1)CC[C@@H]2CC=O 257920969 573961636 /nfs/dbraw/zinc/96/16/36/573961636.db2.gz RMPHROOTFQDTEE-SNVBAGLBSA-N 0 0 174.243 2.614 10 30 AFEERN CSc1ccccc1[C@@](C)(F)C=O 257920186 573961678 /nfs/dbraw/zinc/96/16/78/573961678.db2.gz YCLLZVAEVALGBC-JTQLQIEISA-N 0 0 198.262 2.792 10 30 AFEERN CC1(C)C(=O)C=C[C@@H]2CCCC[C@H]21 238212133 573961685 /nfs/dbraw/zinc/96/16/85/573961685.db2.gz VMQZHWKNTHGHRF-VHSXEESVSA-N 0 0 178.275 2.958 10 30 AFEERN CC[C@H](CC#N)C(C)(F)F 257913304 573961687 /nfs/dbraw/zinc/96/16/87/573961687.db2.gz ATMXJCGIEYKUAJ-ZCFIWIBFSA-N 0 0 147.168 2.581 10 30 AFEERN N#CC[C@H](CF)C1CCCC1 257913038 573961867 /nfs/dbraw/zinc/96/18/67/573961867.db2.gz ARSTWNUYVUJHSZ-SECBINFHSA-N 0 0 155.216 2.676 10 30 AFEERN CC[C@@H](CC#N)C(C)(F)F 257913301 573961887 /nfs/dbraw/zinc/96/18/87/573961887.db2.gz ATMXJCGIEYKUAJ-LURJTMIESA-N 0 0 147.168 2.581 10 30 AFEERN CC1=CC[C@]2(C)CCC[C@H]2C1=O 197144149 573962002 /nfs/dbraw/zinc/96/20/02/573962002.db2.gz OAXXZVBNDGSIAT-ONGXEEELSA-N 0 0 164.248 2.712 10 30 AFEERN CC1=CC(=O)C[C@]2(C1)CC2(C)C 238218159 573965446 /nfs/dbraw/zinc/96/54/46/573965446.db2.gz OBIVNSLTRXRFJX-LLVKDONJSA-N 0 0 164.248 2.712 10 30 AFEERN C=CC[C@@]1(C)CCC(=O)C=C1C 238217110 573964059 /nfs/dbraw/zinc/96/40/59/573964059.db2.gz ZMPCYJVAMIEABM-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN C=C1CC[C@@H]2C(C)=CC(=O)CC[C@@H]12 238216874 573964062 /nfs/dbraw/zinc/96/40/62/573964062.db2.gz FEHQYODRMLFRLM-NWDGAFQWSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC(=O)C(C)(C)C(C)(C)C1 238215870 573964130 /nfs/dbraw/zinc/96/41/30/573964130.db2.gz UUCOFNXQXQSVJZ-UHFFFAOYSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(=O)CCC12CCCC2 238216672 573964178 /nfs/dbraw/zinc/96/41/78/573964178.db2.gz IWXDSBPWDMWJQV-UHFFFAOYSA-N 0 0 164.248 2.856 10 30 AFEERN C=C1CC[C@H]2C(C)=CC(=O)CC[C@H]12 238217095 573964283 /nfs/dbraw/zinc/96/42/83/573964283.db2.gz FEHQYODRMLFRLM-NEPJUHHUSA-N 0 0 176.259 2.878 10 30 AFEERN CC1=CC(=O)C(C)(C)C(C)=C1C 238215882 573964296 /nfs/dbraw/zinc/96/42/96/573964296.db2.gz VTCOANWCEVHSHC-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN CCCCC#C[C@@H](O)[C@@H]1CC=CCC1 238216717 573964360 /nfs/dbraw/zinc/96/43/60/573964360.db2.gz NGYXDOVVKSTQCZ-CHWSQXEVSA-N 0 0 192.302 2.897 10 30 AFEERN CC(C)[C@H](C)CC1=CC(=O)CC1 238216353 573964403 /nfs/dbraw/zinc/96/44/03/573964403.db2.gz WPWXQJFKPJODPS-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC(=O)C=CC12CCCC2 238216303 573964410 /nfs/dbraw/zinc/96/44/10/573964410.db2.gz IIDVFTFTTRBBDD-UHFFFAOYSA-N 0 0 162.232 2.632 10 30 AFEERN CCCCC#C[C@@H](O)c1ccsc1 238216845 573964441 /nfs/dbraw/zinc/96/44/41/573964441.db2.gz RMVUYQYZISFWHL-LLVKDONJSA-N 0 0 194.299 2.975 10 30 AFEERN CC(C)=CCN(CCC#N)C(C)C 42530597 573964692 /nfs/dbraw/zinc/96/46/92/573964692.db2.gz CCSWOELXJJUAPE-UHFFFAOYSA-N 0 0 180.295 2.577 10 30 AFEERN CCCCC#Cc1ccc(CO)cc1 238219574 573964889 /nfs/dbraw/zinc/96/48/89/573964889.db2.gz DDCNEWGZDFCDPL-UHFFFAOYSA-N 0 0 188.270 2.721 10 30 AFEERN C=C(CC)CCC[C@@H](O)C1CC1 85071255 573964896 /nfs/dbraw/zinc/96/48/96/573964896.db2.gz SHEWJIOEXFGBIW-LLVKDONJSA-N 0 0 168.280 2.894 10 30 AFEERN CCCCC#C[C@H](O)[C@H]1CC=CCC1 238218162 573965070 /nfs/dbraw/zinc/96/50/70/573965070.db2.gz NGYXDOVVKSTQCZ-STQMWFEESA-N 0 0 192.302 2.897 10 30 AFEERN CC(C)/C=C/[C@@H]1[C@H]2C(=O)C=C[C@@]12C 238219722 573965162 /nfs/dbraw/zinc/96/51/62/573965162.db2.gz QXKNVGZXPQBDIV-AKPMJDEKSA-N 0 0 176.259 2.590 10 30 AFEERN CCCC#CC[C@@H](O)C(C)(C)C 238219147 573965506 /nfs/dbraw/zinc/96/55/06/573965506.db2.gz JXFGYRHFOKRTFR-SNVBAGLBSA-N 0 0 168.280 2.587 10 30 AFEERN C=C(CC)CC1=CC(=O)CC1 85070872 573965252 /nfs/dbraw/zinc/96/52/52/573965252.db2.gz FGCCIIPXINWABK-UHFFFAOYSA-N 0 0 150.221 2.632 10 30 AFEERN C=C(CC)CC[C@H](C)C=O 85070845 573965294 /nfs/dbraw/zinc/96/52/94/573965294.db2.gz XGSCHOJSMVZHNU-VIFPVBQESA-N 0 0 140.226 2.568 10 30 AFEERN CCCCC#Cc1cc(C)cnc1N 238219374 573965317 /nfs/dbraw/zinc/96/53/17/573965317.db2.gz QOOAXZZHRQQTQQ-UHFFFAOYSA-N 0 0 188.274 2.514 10 30 AFEERN CCCCNN=C1CC[C@H]1C1CC1 393574895 573966799 /nfs/dbraw/zinc/96/67/99/573966799.db2.gz VJFGOZPTTINRTI-JTQLQIEISA-N 0 0 180.295 2.552 10 30 AFEERN CCCCC#Cc1cccc(CO)c1 238219792 573966339 /nfs/dbraw/zinc/96/63/39/573966339.db2.gz WNCRXVYMMYYWJF-UHFFFAOYSA-N 0 0 188.270 2.721 10 30 AFEERN CCCCC#C[C@H]1CCCCC1=O 238218453 573966377 /nfs/dbraw/zinc/96/63/77/573966377.db2.gz ZJFBXDOQGQJGAN-NSHDSACASA-N 0 0 178.275 2.939 10 30 AFEERN CCCCC#C[C@H](O)c1ccco1 238218410 573966792 /nfs/dbraw/zinc/96/67/92/573966792.db2.gz FEMBDFAXMGFEOW-JTQLQIEISA-N 0 0 178.231 2.507 10 30 AFEERN CC1(C)CC[C@@H]2O[C@]2(C)[C@H]1CCC=O 238218865 573966797 /nfs/dbraw/zinc/96/67/97/573966797.db2.gz WGPYTVLGXPVSJP-JBLDHEPKSA-N 0 0 196.290 2.559 10 30 AFEERN CC1(C)CCC[C@@]12[C@H]1C(=O)C=C[C@H]12 238218494 573966890 /nfs/dbraw/zinc/96/68/90/573966890.db2.gz VKQKJNYJWYWCAS-HLUHBDAQSA-N 0 0 176.259 2.568 10 30 AFEERN CCCCC#C[C@H](O)c1ccsc1 238218430 573966936 /nfs/dbraw/zinc/96/69/36/573966936.db2.gz RMVUYQYZISFWHL-NSHDSACASA-N 0 0 194.299 2.975 10 30 AFEERN CCCCC#Cc1ccc(F)cc1N 238219656 573967013 /nfs/dbraw/zinc/96/70/13/573967013.db2.gz LUBSWLWHIZQHQJ-UHFFFAOYSA-N 0 0 191.249 2.950 10 30 AFEERN C=CC[C@@H]1C(=O)C=C(C)C1(C)C 238219630 573967128 /nfs/dbraw/zinc/96/71/28/573967128.db2.gz ODFXIZRUHNDTSI-SECBINFHSA-N 0 0 164.248 2.734 10 30 AFEERN CC(C)CC[C@](C)(O)C1(C#N)CCC1 393654776 573967279 /nfs/dbraw/zinc/96/72/79/573967279.db2.gz GLRZRQORTMYVIK-NSHDSACASA-N 0 0 195.306 2.867 10 30 AFEERN CSc1c(F)cccc1CCC=O 258193373 573968353 /nfs/dbraw/zinc/96/83/53/573968353.db2.gz RXRDEINSIXEHGK-UHFFFAOYSA-N 0 0 198.262 2.679 10 30 AFEERN C[C@@H]1C[C@]1(C#N)c1cc(F)ccc1F 259030727 573968758 /nfs/dbraw/zinc/96/87/58/573968758.db2.gz RHLLXRLPNOHALG-RDDDGLTNSA-N 0 0 193.196 2.766 10 30 AFEERN CCC1(CC)N[C@H](C#N)C(C)(C)S1 238228435 573968877 /nfs/dbraw/zinc/96/88/77/573968877.db2.gz RWGCAVSIHULBPD-MRVPVSSYSA-N 0 0 198.335 2.510 10 30 AFEERN CC1=CCC(C)(C)CC[C@@H]1C=O 238227901 573969171 /nfs/dbraw/zinc/96/91/71/573969171.db2.gz JCPSNWUOFJBXHF-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC[C@H](C(C)C)C[C@@H]1C=O 238227456 573968906 /nfs/dbraw/zinc/96/89/06/573968906.db2.gz WSFCSESJRNGKLT-WDEREUQCSA-N 0 0 166.264 2.814 10 30 AFEERN C[C@H]1C[C@]1(C#N)c1cc(F)ccc1F 259030730 573968918 /nfs/dbraw/zinc/96/89/18/573968918.db2.gz RHLLXRLPNOHALG-WRWORJQWSA-N 0 0 193.196 2.766 10 30 AFEERN CC1=CCC2=C(C=C1)C(=O)CCC2 238228342 573968950 /nfs/dbraw/zinc/96/89/50/573968950.db2.gz PRMZRKCOCGQCCJ-UHFFFAOYSA-N 0 0 174.243 2.942 10 30 AFEERN CC1(C)[C@@H]2c3ccccc3C[C@@]21C=O 238228172 573969056 /nfs/dbraw/zinc/96/90/56/573969056.db2.gz DVSRHJHOWSEBGJ-WCQYABFASA-N 0 0 186.254 2.551 10 30 AFEERN Cc1cc2c(C#N)c(O)ccc2s1 306943315 573969129 /nfs/dbraw/zinc/96/91/29/573969129.db2.gz IXTPYSHMOOQFFD-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN C=C1CC[C@H](C(C)C)C[C@@H]1NC(C)=O 238228066 573970245 /nfs/dbraw/zinc/97/02/45/573970245.db2.gz JWKNXYGZXSUAIR-RYUDHWBXSA-N 0 0 195.306 2.503 10 30 AFEERN C=C1C[C@H]2[C@@H]1C(=O)CC[C@@H]2C(C)C 238228666 573970250 /nfs/dbraw/zinc/97/02/50/573970250.db2.gz CXTDTUDSEIZSPS-CKYFFXLPSA-N 0 0 178.275 2.814 10 30 AFEERN CC1(C)C=C[C@@](C)(CC=O)CC1 238227500 573970328 /nfs/dbraw/zinc/97/03/28/573970328.db2.gz PDSLKFLTYAEPSW-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN C=C1C[C@@H]2[C@H]1C(=O)CC[C@@H]2C(C)C 238228554 573970519 /nfs/dbraw/zinc/97/05/19/573970519.db2.gz CXTDTUDSEIZSPS-SCVCMEIPSA-N 0 0 178.275 2.814 10 30 AFEERN C[C@@H]1C[C@@]1(C#N)c1cc(F)ccc1F 259030724 573970564 /nfs/dbraw/zinc/97/05/64/573970564.db2.gz RHLLXRLPNOHALG-HQJQHLMTSA-N 0 0 193.196 2.766 10 30 AFEERN CCC1(CC)N[C@@H](C#N)C(C)(C)S1 238228283 573970603 /nfs/dbraw/zinc/97/06/03/573970603.db2.gz RWGCAVSIHULBPD-QMMMGPOBSA-N 0 0 198.335 2.510 10 30 AFEERN C=C1CC[C@H](C(C)C)C[C@H]1NC(C)=O 238228166 573970618 /nfs/dbraw/zinc/97/06/18/573970618.db2.gz JWKNXYGZXSUAIR-NWDGAFQWSA-N 0 0 195.306 2.503 10 30 AFEERN CC1=CCC2=C(C=C1)C(=O)CC2 238228319 573970743 /nfs/dbraw/zinc/97/07/43/573970743.db2.gz MQLSDGLFBKKFAF-UHFFFAOYSA-N 0 0 160.216 2.552 10 30 AFEERN O=CC[C@@H]1CSc2cccc(F)c21 258191635 573970773 /nfs/dbraw/zinc/97/07/73/573970773.db2.gz TYTSRKUMBSCNOQ-SSDOTTSWSA-N 0 0 196.246 2.604 10 30 AFEERN CC[C@H](C#N)[C@@H](N)c1ccc(C)cc1 259590001 573970786 /nfs/dbraw/zinc/97/07/86/573970786.db2.gz WPGPKKLTJFTCEI-ZYHUDNBSSA-N 0 0 188.274 2.545 10 30 AFEERN Cc1ccc2c(C#N)csc2c1N 306944372 573970833 /nfs/dbraw/zinc/97/08/33/573970833.db2.gz XTVRLIWIJDLMDK-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C=C1[C@H](C(C)(C)C)[C@H]1C(=O)CC 238227804 573970874 /nfs/dbraw/zinc/97/08/74/573970874.db2.gz ZLPZXMVOMRNEME-ZJUUUORDSA-N 0 0 166.264 2.814 10 30 AFEERN CC1=CCC(C)(C)CC[C@H]1C=O 238227936 573971086 /nfs/dbraw/zinc/97/10/86/573971086.db2.gz JCPSNWUOFJBXHF-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN Cc1ccccc1-n1ccc(C)c1C#N 259590058 573971139 /nfs/dbraw/zinc/97/11/39/573971139.db2.gz FLWSBBPWQXREBW-UHFFFAOYSA-N 0 0 196.253 2.966 10 30 AFEERN N#Cc1ccc(CC2CC2)nc1Cl 306945249 573971320 /nfs/dbraw/zinc/97/13/20/573971320.db2.gz ZSPPWNZYFIPOSZ-UHFFFAOYSA-N 0 0 192.649 2.559 10 30 AFEERN CC(C)=C1CC[C@H](C(C)C)C1=O 238227928 573971369 /nfs/dbraw/zinc/97/13/69/573971369.db2.gz XTIOAVDBIUXNAO-SECBINFHSA-N 0 0 166.264 2.958 10 30 AFEERN CC1=CC[C@H](C(C)C)[C@@H](C=O)C1 238227363 573971404 /nfs/dbraw/zinc/97/14/04/573971404.db2.gz RTPGBPOUECVJJK-GHMZBOCLSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1[C@H](C(=O)CC)[C@@H]1C(C)(C)C 238227916 573971411 /nfs/dbraw/zinc/97/14/11/573971411.db2.gz ZLPZXMVOMRNEME-NXEZZACHSA-N 0 0 166.264 2.814 10 30 AFEERN C=C1CC[C@H](C(C)C)C[C@H]1CO 238228150 573971476 /nfs/dbraw/zinc/97/14/76/573971476.db2.gz ZSLHRSGWPZZWMI-QWRGUYRKSA-N 0 0 168.280 2.607 10 30 AFEERN CC1(C)CC[C@]2(C)C=CC(=O)C[C@@H]12 238227789 573971516 /nfs/dbraw/zinc/97/15/16/573971516.db2.gz ZWEIRABNBSWEGX-JQWIXIFHSA-N 0 0 178.275 2.958 10 30 AFEERN CC1=CC[C@H](C(C)C)C[C@H]1C=O 238227601 573971812 /nfs/dbraw/zinc/97/18/12/573971812.db2.gz WSFCSESJRNGKLT-QWRGUYRKSA-N 0 0 166.264 2.814 10 30 AFEERN CC1(C)CC[C@]2(C)C=CC(=O)C[C@H]12 238227808 573971846 /nfs/dbraw/zinc/97/18/46/573971846.db2.gz ZWEIRABNBSWEGX-PWSUYJOCSA-N 0 0 178.275 2.958 10 30 AFEERN CC(=O)C1=C[C@@H](C(C)C)CC1 238228736 573971983 /nfs/dbraw/zinc/97/19/83/573971983.db2.gz CAJQEKPIDJYPEO-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)(C)CC#CCl 104392567 573972990 /nfs/dbraw/zinc/97/29/90/573972990.db2.gz MGWRTZFKORBHTE-UHFFFAOYSA-N 0 0 130.618 2.622 10 30 AFEERN CC(C)[C@H]1CCC(Cl)=CC1=O 238229551 573973028 /nfs/dbraw/zinc/97/30/28/573973028.db2.gz CPRCTSVTNVWGGQ-MRVPVSSYSA-N 0 0 172.655 2.744 10 30 AFEERN N#CC1(Sc2cccc(F)c2)CC1 85089803 573973114 /nfs/dbraw/zinc/97/31/14/573973114.db2.gz QLQYDDPUKUJWTG-UHFFFAOYSA-N 0 0 193.246 2.974 10 30 AFEERN C[C@@H](S)c1ccc2[nH]cnc2c1 259255151 573973321 /nfs/dbraw/zinc/97/33/21/573973321.db2.gz NXMXBINGASOBOP-ZCFIWIBFSA-N 0 0 178.260 2.554 10 30 AFEERN C=C[C@@H]1C(=O)CCC[C@@H]1C(C)C 238229908 573973422 /nfs/dbraw/zinc/97/34/22/573973422.db2.gz NRGIIDYGBCRQHE-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN SCC[C@H]1CCC[C@H](S)C1 104394286 573973505 /nfs/dbraw/zinc/97/35/05/573973505.db2.gz UGWNXYHJYAYQIQ-SFYZADRCSA-N 0 0 176.350 2.795 10 30 AFEERN CCC[C@@H](C)/C=C(\C)C(C)=O 104393235 573973541 /nfs/dbraw/zinc/97/35/41/573973541.db2.gz JLASUDLSFBPTMN-KGOFQHAKSA-N 0 0 154.253 2.958 10 30 AFEERN C=C(C)/C(=C/C)CC 104396417 573973586 /nfs/dbraw/zinc/97/35/86/573973586.db2.gz QXNYNMNRJMHGHH-VMPITWQZSA-N 0 0 110.200 2.919 10 30 AFEERN C=C[C@H](O)[C@@H]1C(C)=CCCC1(C)C 238228992 573973611 /nfs/dbraw/zinc/97/36/11/573973611.db2.gz NXVMGZNPDGPJCA-QWRGUYRKSA-N 0 0 180.291 2.916 10 30 AFEERN Cc1ccsc1[C@H]1OC1(C)C 259254451 573973623 /nfs/dbraw/zinc/97/36/23/573973623.db2.gz KYAJPZORLFMQCF-MRVPVSSYSA-N 0 0 168.261 2.906 10 30 AFEERN CC1(C)[C@H]2CC(=O)C3=C(CCC3)[C@H]21 238229519 573973819 /nfs/dbraw/zinc/97/38/19/573973819.db2.gz FAPBEKIBJIMZOS-GXSJLCMTSA-N 0 0 176.259 2.712 10 30 AFEERN C[C@@H](F)c1c(F)cccc1CCC=O 258194475 573973980 /nfs/dbraw/zinc/97/39/80/573973980.db2.gz XUVKKRBMMOCPMK-MRVPVSSYSA-N 0 0 198.212 2.988 10 30 AFEERN CCC[C@H](C)/C=C(\C)C(C)=O 104393240 573974226 /nfs/dbraw/zinc/97/42/26/573974226.db2.gz JLASUDLSFBPTMN-INTFFVIUSA-N 0 0 154.253 2.958 10 30 AFEERN Cc1ccsc1[C@@H]1OC1(C)C 259254454 573974231 /nfs/dbraw/zinc/97/42/31/573974231.db2.gz KYAJPZORLFMQCF-QMMMGPOBSA-N 0 0 168.261 2.906 10 30 AFEERN SCC[C@H]1CCC[C@@H](S)C1 104394279 573974255 /nfs/dbraw/zinc/97/42/55/573974255.db2.gz UGWNXYHJYAYQIQ-HTQZYQBOSA-N 0 0 176.350 2.795 10 30 AFEERN CCO[C@H](C#N)c1cccc(F)c1F 85090397 573977381 /nfs/dbraw/zinc/97/73/81/573977381.db2.gz KHERQNIWGDGKEU-SECBINFHSA-N 0 0 197.184 2.566 10 30 AFEERN C[C@H](F)c1c(F)cccc1CCC=O 258194478 573975548 /nfs/dbraw/zinc/97/55/48/573975548.db2.gz XUVKKRBMMOCPMK-QMMMGPOBSA-N 0 0 198.212 2.988 10 30 AFEERN CC(C)[C@H]1CCC=CC(=O)C1 238229722 573975487 /nfs/dbraw/zinc/97/54/87/573975487.db2.gz YEYNPXBTBGDGJQ-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CCCC#C[C@H](O)c1ccc(C)cc1 238221080 573977430 /nfs/dbraw/zinc/97/74/30/573977430.db2.gz GKQGLKFXBGYXEE-ZDUSSCGKSA-N 0 0 188.270 2.832 10 30 AFEERN CCO[C@@H](C#N)c1sccc1C 85090691 573977448 /nfs/dbraw/zinc/97/74/48/573977448.db2.gz PBOHZQNTBDLQQF-QMMMGPOBSA-N 0 0 181.260 2.658 10 30 AFEERN Cn1c(CS)cc2c(F)cccc21 258193414 573977458 /nfs/dbraw/zinc/97/74/58/573977458.db2.gz ZSHZWKAADILSCE-UHFFFAOYSA-N 0 0 195.262 2.747 10 30 AFEERN C=C(CCCC)[C@H]1CCC1=O 238221169 573977459 /nfs/dbraw/zinc/97/74/59/573977459.db2.gz LLXGIMWOSSBDPV-SECBINFHSA-N 0 0 152.237 2.712 10 30 AFEERN CCO[C@@]1(C#N)CCC[C@H](C2CC2)C1 85090340 573977490 /nfs/dbraw/zinc/97/74/90/573977490.db2.gz FFVVDFUXRKAUDT-RYUDHWBXSA-N 0 0 193.290 2.885 10 30 AFEERN CCCC#C[C@H](O)c1ccc(F)cc1 238221101 573977499 /nfs/dbraw/zinc/97/74/99/573977499.db2.gz IKARYNGRDFYVDJ-LBPRGKRZSA-N 0 0 192.233 2.663 10 30 AFEERN CCO[C@]1(C#N)CCC[C@@H](CC)C1 85090424 573977210 /nfs/dbraw/zinc/97/72/10/573977210.db2.gz NSRIUZPSKYQENH-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN CCO[C@@H](C#N)c1c(F)cccc1F 85090696 573977241 /nfs/dbraw/zinc/97/72/41/573977241.db2.gz UGAPMCJVPKLLSD-VIFPVBQESA-N 0 0 197.184 2.566 10 30 AFEERN C=CC[C@]12CCC[C@H]1C(C)=CC2=O 238221284 573977314 /nfs/dbraw/zinc/97/73/14/573977314.db2.gz WZTMZDKGWDIPBN-JQWIXIFHSA-N 0 0 176.259 2.878 10 30 AFEERN CCO[C@H](C#N)c1ccc(F)cc1F 85090636 573977260 /nfs/dbraw/zinc/97/72/60/573977260.db2.gz GAXNGSUNBAAPAG-SNVBAGLBSA-N 0 0 197.184 2.566 10 30 AFEERN CCO[C@H](C#N)c1ccc(C)c(F)c1 85090452 573977298 /nfs/dbraw/zinc/97/72/98/573977298.db2.gz JZZZXYFKNYTQQH-LLVKDONJSA-N 0 0 193.221 2.735 10 30 AFEERN COC1(C#N)CCC(C(C)C)CC1 85090925 573977434 /nfs/dbraw/zinc/97/74/34/573977434.db2.gz XZXBLJKHXRVCRL-UHFFFAOYSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@H](C#N)C1CCC(C)CC1 85090726 573977519 /nfs/dbraw/zinc/97/75/19/573977519.db2.gz HSGFGLRDDNHBTG-VQXHTEKXSA-N 0 0 181.279 2.741 10 30 AFEERN CCC1(C)C(C)=CC(=O)C=C1C 238221816 573977541 /nfs/dbraw/zinc/97/75/41/573977541.db2.gz SCUXQRHKBXFNKV-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN CC/C=C(\C)[C@@H](O)C#CCCC 238220953 573977545 /nfs/dbraw/zinc/97/75/45/573977545.db2.gz PZJKPWNEWNKKBM-UQSGXBNBSA-N 0 0 166.264 2.507 10 30 AFEERN CO[C@H](C#N)c1ccc(C)cc1C 85090814 573977559 /nfs/dbraw/zinc/97/75/59/573977559.db2.gz NZGHJVJEOKXJSM-LLVKDONJSA-N 0 0 175.231 2.515 10 30 AFEERN CO[C@H](C#N)c1ccc(SC)cc1 85091079 573977570 /nfs/dbraw/zinc/97/75/70/573977570.db2.gz QJMVCWKEROVHDK-SNVBAGLBSA-N 0 0 193.271 2.620 10 30 AFEERN C=CC[C@@]1(C)CCC(C)=CC1=O 238220676 573977577 /nfs/dbraw/zinc/97/75/77/573977577.db2.gz JJTIIZPFZKYOCT-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CC1=CC(=O)[C@@]2(C)[C@@H]1C21CCCC1 238221173 573977620 /nfs/dbraw/zinc/97/76/20/573977620.db2.gz IKNALRXIYGIKMR-MNOVXSKESA-N 0 0 176.259 2.712 10 30 AFEERN CO[C@@H](C#N)c1ccc(C)cc1C 85090815 573977592 /nfs/dbraw/zinc/97/75/92/573977592.db2.gz NZGHJVJEOKXJSM-NSHDSACASA-N 0 0 175.231 2.515 10 30 AFEERN CC[C@H]1CCC[C@@](C#N)(OC)CC1 85090798 573977633 /nfs/dbraw/zinc/97/76/33/573977633.db2.gz MVRZOBAQJZXDDX-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CCOC1(C#N)CCC(C)(C)CC1 85090610 573977638 /nfs/dbraw/zinc/97/76/38/573977638.db2.gz WWFBFNHOZFVQTP-UHFFFAOYSA-N 0 0 181.279 2.885 10 30 AFEERN CO[C@H](C#N)c1cc(C)sc1C 85090862 573977658 /nfs/dbraw/zinc/97/76/58/573977658.db2.gz JHIUIESQFJEKHZ-SECBINFHSA-N 0 0 181.260 2.576 10 30 AFEERN CO[C@@H](C#N)c1c(F)cccc1Cl 85091116 573977670 /nfs/dbraw/zinc/97/76/70/573977670.db2.gz SYSWEPDFBXHGJQ-QMMMGPOBSA-N 0 0 199.612 2.690 10 30 AFEERN CO[C@@H](C#N)c1ccc(Cl)c(F)c1 85090848 573977672 /nfs/dbraw/zinc/97/76/72/573977672.db2.gz LIKYXXCLGYYTDE-VIFPVBQESA-N 0 0 199.612 2.690 10 30 AFEERN CC1=CC(=O)[C@@]2(C)C(C)(C)[C@@]12C 238220928 573977791 /nfs/dbraw/zinc/97/77/91/573977791.db2.gz ADPOYJCRKCAFSM-MNOVXSKESA-N 0 0 164.248 2.568 10 30 AFEERN CO[C@H](C#N)c1cccc(C)c1C 85091095 573977691 /nfs/dbraw/zinc/97/76/91/573977691.db2.gz YATUWDGMXOGTGR-LLVKDONJSA-N 0 0 175.231 2.515 10 30 AFEERN CC[C@@H]1CCC[C@](C#N)(OC)CC1 85090799 573977696 /nfs/dbraw/zinc/97/76/96/573977696.db2.gz MVRZOBAQJZXDDX-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@@H]1C[C@@H](C#N)C[C@@H]1C 259588816 573977718 /nfs/dbraw/zinc/97/77/18/573977718.db2.gz LCXJREZQMFGDNL-XHNCKOQMSA-N 0 0 137.226 2.582 10 30 AFEERN CC1=CC(=O)[C@H]2CC[C@@H]1C2(C)C 238221887 573977730 /nfs/dbraw/zinc/97/77/30/573977730.db2.gz CGMICGOGCHIVBQ-DTWKUNHWSA-N 0 0 164.248 2.568 10 30 AFEERN CCCC#C[C@@H]1CCCCC1=O 238220487 573977786 /nfs/dbraw/zinc/97/77/86/573977786.db2.gz WDODZCPPBDVBCL-SNVBAGLBSA-N 0 0 164.248 2.549 10 30 AFEERN CCO[C@@H](C#N)c1cc(F)ccc1F 85090727 573978753 /nfs/dbraw/zinc/97/87/53/573978753.db2.gz PUNFQFLHUANMMN-JTQLQIEISA-N 0 0 197.184 2.566 10 30 AFEERN CC1=CC(=O)[C@H](C(C)(C)C)C1 238221520 573978764 /nfs/dbraw/zinc/97/87/64/573978764.db2.gz HIJIPXLJRGZCKF-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CCO[C@]1(C#N)C[C@@H](C)CC[C@@H]1C 85090702 573978775 /nfs/dbraw/zinc/97/87/75/573978775.db2.gz KCTAYDHIRCSSMQ-DCAQKATOSA-N 0 0 181.279 2.741 10 30 AFEERN CCO[C@H](C#N)c1cc(F)ccc1F 85090728 573978783 /nfs/dbraw/zinc/97/87/83/573978783.db2.gz PUNFQFLHUANMMN-SNVBAGLBSA-N 0 0 197.184 2.566 10 30 AFEERN CCO[C@@H](C#N)c1cccc(Cl)c1 85090698 573978826 /nfs/dbraw/zinc/97/88/26/573978826.db2.gz WPTPLRWNEGASFC-JTQLQIEISA-N 0 0 195.649 2.941 10 30 AFEERN CO[C@@H](C#N)c1cccc(C)c1C 85091096 573978836 /nfs/dbraw/zinc/97/88/36/573978836.db2.gz YATUWDGMXOGTGR-NSHDSACASA-N 0 0 175.231 2.515 10 30 AFEERN CC1(C)c2ccccc2CC[C@H]1C=O 238221633 573978935 /nfs/dbraw/zinc/97/89/35/573978935.db2.gz ZOUKQTANHCFXRC-NSHDSACASA-N 0 0 188.270 2.726 10 30 AFEERN CCCC#C[C@H](O)c1cccs1 238221131 573978969 /nfs/dbraw/zinc/97/89/69/573978969.db2.gz BKDVOEHZJQMKSW-VIFPVBQESA-N 0 0 180.272 2.585 10 30 AFEERN C=CC[C@]12CCC[C@@H]1C(C)=CC2=O 238221298 573979007 /nfs/dbraw/zinc/97/90/07/573979007.db2.gz WZTMZDKGWDIPBN-PWSUYJOCSA-N 0 0 176.259 2.878 10 30 AFEERN C[C@@H](C=O)C1CCCCCC1 81947901 573979073 /nfs/dbraw/zinc/97/90/73/573979073.db2.gz PHKBTNMVDRKNHC-VIFPVBQESA-N 0 0 154.253 2.792 10 30 AFEERN CCC(CC)C(=O)/C=C/Cl 238223322 573979344 /nfs/dbraw/zinc/97/93/44/573979344.db2.gz ZTYAYLZHGWXSSX-AATRIKPKSA-N 0 0 160.644 2.744 10 30 AFEERN CCCC#Cc1ccccc1O 238222520 573981007 /nfs/dbraw/zinc/98/10/07/573981007.db2.gz ZBLKHAZGXWJHSV-UHFFFAOYSA-N 0 0 160.216 2.544 10 30 AFEERN CC1=CC(C)(C)C[C@](C)(C=O)C1 238223975 573979444 /nfs/dbraw/zinc/97/94/44/573979444.db2.gz VMPQITOYDHFLLN-LLVKDONJSA-N 0 0 166.264 2.958 10 30 AFEERN SCSC1CCCCC1 259256135 573979451 /nfs/dbraw/zinc/97/94/51/573979451.db2.gz PITLYXLZXGZXRJ-UHFFFAOYSA-N 0 0 162.323 2.940 10 30 AFEERN N#Cc1c(F)c(F)cc(Cl)c1F 258194447 573981054 /nfs/dbraw/zinc/98/10/54/573981054.db2.gz XUEQPHAVGRMWPR-UHFFFAOYSA-N 0 0 191.539 2.629 10 30 AFEERN CC1=CC(=O)[C@]2(C)C(C)(C)[C@]12C 238222772 573980708 /nfs/dbraw/zinc/98/07/08/573980708.db2.gz ADPOYJCRKCAFSM-WDEREUQCSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=CC(=O)[C@]2(C)CCCC[C@@H]12 238222809 573980744 /nfs/dbraw/zinc/98/07/44/573980744.db2.gz FJNKHTAABNORNO-GXSJLCMTSA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CCC(C)(C)CC[C@H]1CO 238223504 573980912 /nfs/dbraw/zinc/98/09/12/573980912.db2.gz AUZYMWQAHYKMSI-JTQLQIEISA-N 0 0 168.280 2.751 10 30 AFEERN C=C(CCC)[C@@H](O)C#C[Si](C)(C)C 238223234 573980915 /nfs/dbraw/zinc/98/09/15/573980915.db2.gz WGUBJSZSGXREDM-NSHDSACASA-N 0 0 196.366 2.584 10 30 AFEERN CCCC#Cc1ccsc1C=O 238222559 573981002 /nfs/dbraw/zinc/98/10/02/573981002.db2.gz CSOKHCFYTDFPLL-UHFFFAOYSA-N 0 0 178.256 2.712 10 30 AFEERN C=CC[C@@]12CCC[C@@H]1C(C)=CC2=O 238223032 573980961 /nfs/dbraw/zinc/98/09/61/573980961.db2.gz WZTMZDKGWDIPBN-ZYHUDNBSSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@@H]1CCC(C)(C)C(=O)C1 238223084 573980964 /nfs/dbraw/zinc/98/09/64/573980964.db2.gz PRWCIIHYWIJISJ-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN C=CCNC1=NC(C)(C)C=C(C)S1 238224038 573980981 /nfs/dbraw/zinc/98/09/81/573980981.db2.gz LVNNTMLJNAGEHC-UHFFFAOYSA-N 0 0 196.319 2.547 10 30 AFEERN C=CC(C)(C)[C@H](C)C(=O)CC 238222760 573981085 /nfs/dbraw/zinc/98/10/85/573981085.db2.gz IDPBZOCSHYABJK-MRVPVSSYSA-N 0 0 154.253 2.814 10 30 AFEERN CC1(C)CC[C@@H](CCC#N)C(=O)C1 238223301 573981093 /nfs/dbraw/zinc/98/10/93/573981093.db2.gz GOPZXXLACJHKFL-SECBINFHSA-N 0 0 179.263 2.686 10 30 AFEERN C=C(CCC)CCC(C)=O 238223082 573981114 /nfs/dbraw/zinc/98/11/14/573981114.db2.gz IVYYGSCGHZPBJS-UHFFFAOYSA-N 0 0 140.226 2.712 10 30 AFEERN C=C(CCC)[C@H](O)C#C[Si](C)(C)C 238223385 573981242 /nfs/dbraw/zinc/98/12/42/573981242.db2.gz WGUBJSZSGXREDM-LLVKDONJSA-N 0 0 196.366 2.584 10 30 AFEERN CCCCC[C@@](C)(Cl)C=O 238223969 573981275 /nfs/dbraw/zinc/98/12/75/573981275.db2.gz JMSFQUDXGUBQOI-MRVPVSSYSA-N 0 0 162.660 2.763 10 30 AFEERN CC1=CC(C)(C)C(C)=C(C)C1=O 238223450 573981290 /nfs/dbraw/zinc/98/12/90/573981290.db2.gz PYXAWNVHLXCQHB-UHFFFAOYSA-N 0 0 164.248 2.878 10 30 AFEERN CC1=CC(=O)[C@]23CCCC[C@]12CC3 238223160 573981301 /nfs/dbraw/zinc/98/13/01/573981301.db2.gz UIJRSRFSBIMMMO-NWDGAFQWSA-N 0 0 176.259 2.856 10 30 AFEERN C=CC(=O)CC[C@@H](C)CC 81971954 573981340 /nfs/dbraw/zinc/98/13/40/573981340.db2.gz BHPQBKWVLOTRIA-QMMMGPOBSA-N 0 0 140.226 2.568 10 30 AFEERN C=C=C(CCC)C(C)(C)C=O 238223574 573981426 /nfs/dbraw/zinc/98/14/26/573981426.db2.gz RDLZPCFZFQVOEN-UHFFFAOYSA-N 0 0 152.237 2.723 10 30 AFEERN CC/C=C/[C@@H]1CCC[C@@H]1C=O 238223971 573981453 /nfs/dbraw/zinc/98/14/53/573981453.db2.gz ZDLBYHAYYAXUMB-OTIHIVFHSA-N 0 0 152.237 2.568 10 30 AFEERN C=C(C)C#C[C@@H](O)CCCCCC 238223708 573981525 /nfs/dbraw/zinc/98/15/25/573981525.db2.gz PCNALOLRSPOVBH-LBPRGKRZSA-N 0 0 180.291 2.897 10 30 AFEERN C=C(CCC)C(=O)C(C)C 238222932 573981691 /nfs/dbraw/zinc/98/16/91/573981691.db2.gz YVHAKVPUVRDVSS-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN Cc1ccc(CCC=O)c2c1CCC2 258194406 573981698 /nfs/dbraw/zinc/98/16/98/573981698.db2.gz XSZIEWGONDROTO-UHFFFAOYSA-N 0 0 188.270 2.615 10 30 AFEERN C=CC(=O)CC[C@H](C)CC 81971952 573981768 /nfs/dbraw/zinc/98/17/68/573981768.db2.gz BHPQBKWVLOTRIA-MRVPVSSYSA-N 0 0 140.226 2.568 10 30 AFEERN CC1=CC(=O)[C@]2(C)CCCC[C@H]12 238222819 573981977 /nfs/dbraw/zinc/98/19/77/573981977.db2.gz FJNKHTAABNORNO-MWLCHTKSSA-N 0 0 164.248 2.712 10 30 AFEERN C=C(Cl)C[C@H](C)C(=O)CC 238222959 573982015 /nfs/dbraw/zinc/98/20/15/573982015.db2.gz LAQAUOGPCNLNKC-LURJTMIESA-N 0 0 160.644 2.744 10 30 AFEERN CC(C)(C)[C@H]1CCC(O)=C(C=O)C1 110898874 573982050 /nfs/dbraw/zinc/98/20/50/573982050.db2.gz DHQHUIAZXSDYLP-FLOXNTQESA-N 0 0 182.263 2.844 10 30 AFEERN C=C[C@@H]1CC(=O)C[C@H]1/C=C/CC 238223952 573982071 /nfs/dbraw/zinc/98/20/71/573982071.db2.gz LJVAIIOJKVNAME-GMCFVEKCSA-N 0 0 164.248 2.734 10 30 AFEERN C=CC[C@@]12CCC[C@H]1C(C)=CC2=O 238223025 573982236 /nfs/dbraw/zinc/98/22/36/573982236.db2.gz WZTMZDKGWDIPBN-CMPLNLGQSA-N 0 0 176.259 2.878 10 30 AFEERN C=C1[C@H]2C[C@@H](C[C@@H]1CC=O)C2(C)C 238223229 573982255 /nfs/dbraw/zinc/98/22/55/573982255.db2.gz BABQFXCDYVGBFK-HBNTYKKESA-N 0 0 178.275 2.814 10 30 AFEERN CC1(C)C=C[C@](C)(C=O)CC1 238224897 573983253 /nfs/dbraw/zinc/98/32/53/573983253.db2.gz FOYKYVJFEFNMAY-JTQLQIEISA-N 0 0 152.237 2.568 10 30 AFEERN C/C=C(/C)[C@H]1CC=C(C)C(=O)C1 82045812 573982523 /nfs/dbraw/zinc/98/25/23/573982523.db2.gz ROCUJSLECZXKKU-PENHIPQLSA-N 0 0 164.248 2.878 10 30 AFEERN CCC[C@@H]1CCC(O)=C(C=O)C1 110898866 573982857 /nfs/dbraw/zinc/98/28/57/573982857.db2.gz JMVKOYVMVXVUIY-KGOFQHAKSA-N 0 0 168.236 2.598 10 30 AFEERN CC/C=C/[C@H]1CCC[C@@H]1C=O 238224884 573982903 /nfs/dbraw/zinc/98/29/03/573982903.db2.gz ZDLBYHAYYAXUMB-AETUYUCGSA-N 0 0 152.237 2.568 10 30 AFEERN C=CC[C@H]1C(=O)C(C)=CC1(C)C 238224681 573982919 /nfs/dbraw/zinc/98/29/19/573982919.db2.gz MOWJJUZRCNPBGA-VIFPVBQESA-N 0 0 164.248 2.734 10 30 AFEERN C=C1[C@H]2C(=O)CCC[C@@H]2C1(C)C 238225220 573983164 /nfs/dbraw/zinc/98/31/64/573983164.db2.gz NYWTUFHBEMSXPZ-WCBMZHEXSA-N 0 0 164.248 2.568 10 30 AFEERN CC/C=C1\C(=O)C[C@H]2CCC[C@@H]12 238225742 573985795 /nfs/dbraw/zinc/98/57/95/573985795.db2.gz IWCQXNSQMFYLRZ-JSGGQSAASA-N 0 0 164.248 2.712 10 30 AFEERN C=C1CC[C@H]2[C@@H](CC1=O)C2(C)C 238224923 573985736 /nfs/dbraw/zinc/98/57/36/573985736.db2.gz YXRXMOODBXUWEA-DTWKUNHWSA-N 0 0 164.248 2.568 10 30 AFEERN CC/C=C1\C(=O)C[C@H]2CCC[C@H]12 238225808 573985908 /nfs/dbraw/zinc/98/59/08/573985908.db2.gz IWCQXNSQMFYLRZ-RYUFRBRESA-N 0 0 164.248 2.712 10 30 AFEERN CCCC(=O)C1=CC[C@@H](C#N)CC1 238226591 573986905 /nfs/dbraw/zinc/98/69/05/573986905.db2.gz YWHNTYXNXLBDCI-SECBINFHSA-N 0 0 177.247 2.606 10 30 AFEERN N#C[C@H]1CCc2c(F)cc(F)cc21 104458135 573986972 /nfs/dbraw/zinc/98/69/72/573986972.db2.gz ANRDTSISAZJYGS-ZCFIWIBFSA-N 0 0 179.169 2.518 10 30 AFEERN N#C[C@H]1CCc2cc(F)c(F)cc21 104458143 573986978 /nfs/dbraw/zinc/98/69/78/573986978.db2.gz PXVGTWCNLMQVTB-SSDOTTSWSA-N 0 0 179.169 2.518 10 30 AFEERN CC(C)C1=CC(=O)c2ccccc21 238226046 573986805 /nfs/dbraw/zinc/98/68/05/573986805.db2.gz OVLRBFSEUSYTNI-UHFFFAOYSA-N 0 0 172.227 2.922 10 30 AFEERN C[C@H](C#N)c1cccc(F)c1F 104457287 573986811 /nfs/dbraw/zinc/98/68/11/573986811.db2.gz NCQUUMLRRPUAQG-ZCFIWIBFSA-N 0 0 167.158 2.592 10 30 AFEERN CCC1CC(C#N)(c2ccccn2)C1 87617273 573986884 /nfs/dbraw/zinc/98/68/84/573986884.db2.gz OYGWQQAYGTYZCS-UHFFFAOYSA-N 0 0 186.258 2.663 10 30 AFEERN C[C@@H]1CCC[C@]1(C#N)c1ccccn1 87617258 573987691 /nfs/dbraw/zinc/98/76/91/573987691.db2.gz JYCPXAZPCQHIJE-ZYHUDNBSSA-N 0 0 186.258 2.663 10 30 AFEERN CC1(C)[C@H]2c3ccccc3C[C@]21C=O 238230533 573987717 /nfs/dbraw/zinc/98/77/17/573987717.db2.gz DVSRHJHOWSEBGJ-YPMHNXCESA-N 0 0 186.254 2.551 10 30 AFEERN C[C@H]1CCC[C@@]1(C#N)c1cccnc1 87617376 573987757 /nfs/dbraw/zinc/98/77/57/573987757.db2.gz SGLNTHYQFLYAOV-JQWIXIFHSA-N 0 0 186.258 2.663 10 30 AFEERN Cc1csc2ccc(N)c(C#N)c12 306948527 573987835 /nfs/dbraw/zinc/98/78/35/573987835.db2.gz TWERGRUSCQYWDX-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN C[C@@H]1CCC[C@@]1(C#N)c1cccnc1 87617374 573987985 /nfs/dbraw/zinc/98/79/85/573987985.db2.gz SGLNTHYQFLYAOV-PWSUYJOCSA-N 0 0 186.258 2.663 10 30 AFEERN CC[C@H](C)[C@H](C#N)c1cccnc1 87617406 573988109 /nfs/dbraw/zinc/98/81/09/573988109.db2.gz MDPYQELCUOMIPO-ONGXEEELSA-N 0 0 174.247 2.735 10 30 AFEERN CC1=CC=C[C@@H](C=O)c2ccccc21 238226728 573988115 /nfs/dbraw/zinc/98/81/15/573988115.db2.gz MHRGWRBQZXWMDZ-NSHDSACASA-N 0 0 184.238 2.942 10 30 AFEERN C[C@H]1CCC[C@]1(C#N)c1ccccn1 87617260 573988199 /nfs/dbraw/zinc/98/81/99/573988199.db2.gz JYCPXAZPCQHIJE-CMPLNLGQSA-N 0 0 186.258 2.663 10 30 AFEERN CC(C)[C@H]1CC(=O)C[C@](C)(C#N)C1 238226202 573988207 /nfs/dbraw/zinc/98/82/07/573988207.db2.gz FTYJCATVAKCQAG-GXSJLCMTSA-N 0 0 179.263 2.541 10 30 AFEERN CC1(C)CC(C#N)(c2cccnc2)C1 87617407 573988721 /nfs/dbraw/zinc/98/87/21/573988721.db2.gz PVTMGOOUKXGRAE-UHFFFAOYSA-N 0 0 186.258 2.663 10 30 AFEERN CC1=CC2=C(C1)C(=O)CCCC2 238225985 573988230 /nfs/dbraw/zinc/98/82/30/573988230.db2.gz LRWUORDJEJVTPF-UHFFFAOYSA-N 0 0 162.232 2.776 10 30 AFEERN N#C[C@@H]1CCc2cc(F)cc(F)c21 104458149 573988297 /nfs/dbraw/zinc/98/82/97/573988297.db2.gz AERDKLRZEYATDX-ZETCQYMHSA-N 0 0 179.169 2.518 10 30 AFEERN C=C[C@H]1CCC(C)(C)C(=O)C1 238225983 573988328 /nfs/dbraw/zinc/98/83/28/573988328.db2.gz PRWCIIHYWIJISJ-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN N#C[C@@H]1CCc2c1ccc(F)c2F 104458129 573988331 /nfs/dbraw/zinc/98/83/31/573988331.db2.gz BDQHWIBOYJCHCQ-LURJTMIESA-N 0 0 179.169 2.518 10 30 AFEERN O=CCCc1cc2ccoc2cc1F 258196462 573988743 /nfs/dbraw/zinc/98/87/43/573988743.db2.gz XXFRBSWEYNWTJQ-UHFFFAOYSA-N 0 0 192.189 2.703 10 30 AFEERN C=C[C@@H](O)C[C@H]1CCCC=C1C 238230378 573988651 /nfs/dbraw/zinc/98/86/51/573988651.db2.gz RWITVGSSYDJPDE-GHMZBOCLSA-N 0 0 166.264 2.670 10 30 AFEERN C[C@@H](C#N)c1cccc(F)c1F 104457283 573988774 /nfs/dbraw/zinc/98/87/74/573988774.db2.gz NCQUUMLRRPUAQG-LURJTMIESA-N 0 0 167.158 2.592 10 30 AFEERN C=CC(C)(C)[C@@H](C)C(=O)CC 238230204 573988793 /nfs/dbraw/zinc/98/87/93/573988793.db2.gz IDPBZOCSHYABJK-QMMMGPOBSA-N 0 0 154.253 2.814 10 30 AFEERN CC1=CC=C(C)C(C)(C)[C@@H]1C=O 238226146 573988799 /nfs/dbraw/zinc/98/87/99/573988799.db2.gz UTEGMPTZBNWHPM-SNVBAGLBSA-N 0 0 164.248 2.734 10 30 AFEERN Cc1ccc2c(c1)CC[C@H]2C#N 104457125 573988811 /nfs/dbraw/zinc/98/88/11/573988811.db2.gz UTDWYPCHTDWEKH-JTQLQIEISA-N 0 0 157.216 2.548 10 30 AFEERN CC1=CC=C(C)C(C)(C)[C@H]1C=O 238226173 573988862 /nfs/dbraw/zinc/98/88/62/573988862.db2.gz UTEGMPTZBNWHPM-JTQLQIEISA-N 0 0 164.248 2.734 10 30 AFEERN CC1(C)C(=O)C=C1Nc1ccccc1 238230565 573988991 /nfs/dbraw/zinc/98/89/91/573988991.db2.gz XLWPHFXZDFNAMW-UHFFFAOYSA-N 0 0 187.242 2.591 10 30 AFEERN N#C[C@H]1CCc2cc(F)cc(F)c21 104458146 573989770 /nfs/dbraw/zinc/98/97/70/573989770.db2.gz AERDKLRZEYATDX-SSDOTTSWSA-N 0 0 179.169 2.518 10 30 AFEERN N#C[C@@H]1CCc2cc(F)c(F)cc21 104458142 573989865 /nfs/dbraw/zinc/98/98/65/573989865.db2.gz PXVGTWCNLMQVTB-ZETCQYMHSA-N 0 0 179.169 2.518 10 30 AFEERN C=C[C@H]1C[C@H]2C=C[C@@H]1C(=O)C2(C)C 238230939 573989878 /nfs/dbraw/zinc/98/98/78/573989878.db2.gz WIEQQVZZTWJXQB-AEJSXWLSSA-N 0 0 176.259 2.590 10 30 AFEERN C=C[C@H](O)C[C@@H]1CCCC=C1C 238230873 573989927 /nfs/dbraw/zinc/98/99/27/573989927.db2.gz RWITVGSSYDJPDE-QWRGUYRKSA-N 0 0 166.264 2.670 10 30 AFEERN C=C[C@@H](O)C[C@@H]1CCCC=C1C 238230883 573989931 /nfs/dbraw/zinc/98/99/31/573989931.db2.gz RWITVGSSYDJPDE-WDEREUQCSA-N 0 0 166.264 2.670 10 30 AFEERN COc1ccc([C@@H](C)C#N)c(C)c1 104457788 573989940 /nfs/dbraw/zinc/98/99/40/573989940.db2.gz XIGUOGMEBSOSAR-VIFPVBQESA-N 0 0 175.231 2.631 10 30 AFEERN Cc1sc2cccc(C#N)c2c1N 306941747 573990071 /nfs/dbraw/zinc/99/00/71/573990071.db2.gz RBTPCMGLRSESPC-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN Cc1ccc(F)c(C2(C#N)CC2)c1F 104460131 573989973 /nfs/dbraw/zinc/98/99/73/573989973.db2.gz ONEWCHIAZAOECR-UHFFFAOYSA-N 0 0 193.196 2.828 10 30 AFEERN CCc1cc(C)cc(C(=O)CC#N)c1 104456482 573989989 /nfs/dbraw/zinc/98/99/89/573989989.db2.gz ZMOPZSPEZOOQTM-UHFFFAOYSA-N 0 0 187.242 2.654 10 30 AFEERN C=C1[C@H]2CC(=O)C[C@H](C2)C1(C)C 238231082 573990020 /nfs/dbraw/zinc/99/00/20/573990020.db2.gz JCZHPCJHTDKQMB-BDAKNGLRSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=C2C(=O)CCCC[C@]23C[C@@H]3C1 238234057 573992120 /nfs/dbraw/zinc/99/21/20/573992120.db2.gz MGBJYAQRUKRTAO-JOYOIKCWSA-N 0 0 176.259 2.856 10 30 AFEERN CC1(C)C(CC#N)C1(C)C 238233503 573992172 /nfs/dbraw/zinc/99/21/72/573992172.db2.gz WHATWAUKKUOIIW-UHFFFAOYSA-N 0 0 137.226 2.582 10 30 AFEERN CC1(C)[C@H](C=O)[C@H]1C=C1CCCC1 238232836 573991790 /nfs/dbraw/zinc/99/17/90/573991790.db2.gz PYPKMXYRNCQTKM-GHMZBOCLSA-N 0 0 178.275 2.958 10 30 AFEERN C[C@@H]1CCC[C@]1(C#N)c1ccncc1 87618232 573991799 /nfs/dbraw/zinc/99/17/99/573991799.db2.gz CMKHXMUDYMSZGQ-ZYHUDNBSSA-N 0 0 186.258 2.663 10 30 AFEERN CC1=CCC[C@]2(C)C=CC(=O)C=C12 238233368 573991881 /nfs/dbraw/zinc/99/18/81/573991881.db2.gz MWXXCJKYGZIABM-GFCCVEGCSA-N 0 0 174.243 2.798 10 30 AFEERN CC[C@H](C)[C@H](C#N)c1ccncc1 87618269 573991929 /nfs/dbraw/zinc/99/19/29/573991929.db2.gz MMGCMIAJCPVOKL-ONGXEEELSA-N 0 0 174.247 2.735 10 30 AFEERN C=C(CC)CC(=O)C[C@@H]1CCCCO1 128014275 573992009 /nfs/dbraw/zinc/99/20/09/573992009.db2.gz UQRSNCFHMIRILY-LBPRGKRZSA-N 0 0 196.290 2.871 10 30 AFEERN COc1c(C)cc([C@H]2O[C@@H]2C)cc1C 259262422 573992085 /nfs/dbraw/zinc/99/20/85/573992085.db2.gz LIDLRZNRNYDYQL-SKDRFNHKSA-N 0 0 192.258 2.772 10 30 AFEERN CCC[C@@](C)(O)C1(C#N)CCCC1 87650034 573992200 /nfs/dbraw/zinc/99/22/00/573992200.db2.gz CGTMAWHKIHZGQJ-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN CC1(C)C(=C=C2CCCC2)[C@H]1C=O 238232652 573992280 /nfs/dbraw/zinc/99/22/80/573992280.db2.gz ACJJKEBAFVDDFQ-LLVKDONJSA-N 0 0 176.259 2.867 10 30 AFEERN N#CCCOCCCc1ccccc1 45627698 573992339 /nfs/dbraw/zinc/99/23/39/573992339.db2.gz UJEAJFFXHGOPLB-UHFFFAOYSA-N 0 0 189.258 2.549 10 30 AFEERN CC1=CCC[C@]2(C)CC(=O)C=C12 238233419 573993305 /nfs/dbraw/zinc/99/33/05/573993305.db2.gz DQNHMTBAXKUHPZ-LLVKDONJSA-N 0 0 162.232 2.632 10 30 AFEERN Cn1cc([C@@H]2C[C@@H]2C#N)c2ccccc21 259261599 573993255 /nfs/dbraw/zinc/99/32/55/573993255.db2.gz UMUZGDKJUWQFFE-MWLCHTKSSA-N 0 0 196.253 2.805 10 30 AFEERN CC1=CCC[C@@]12C=CC(=O)CC2 238233314 573993267 /nfs/dbraw/zinc/99/32/67/573993267.db2.gz PNYZDLIELXDYNL-NSHDSACASA-N 0 0 162.232 2.632 10 30 AFEERN CC1(C)C[C@H]2C=CC(=O)C[C@H]2C1 238234232 573994547 /nfs/dbraw/zinc/99/45/47/573994547.db2.gz IAPHERGDAUTQJD-BDAKNGLRSA-N 0 0 164.248 2.568 10 30 AFEERN CC1=C2CC[C@H]3CCC[C@@]23CC1=O 238234311 573994158 /nfs/dbraw/zinc/99/41/58/573994158.db2.gz WUNKGOFIUKSSJQ-SKDRFNHKSA-N 0 0 176.259 2.856 10 30 AFEERN CC1=C2CC[C@H]3CCC[C@]23CC1=O 238234300 573994166 /nfs/dbraw/zinc/99/41/66/573994166.db2.gz WUNKGOFIUKSSJQ-BXKDBHETSA-N 0 0 176.259 2.856 10 30 AFEERN CCC[C@@]1(C)CC(=O)C=C1C 238235594 573994180 /nfs/dbraw/zinc/99/41/80/573994180.db2.gz JWWAIFKZOVHOAE-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN Cn1cc([C@H]2C[C@@H]2C#N)c2ccccc21 259261597 573994195 /nfs/dbraw/zinc/99/41/95/573994195.db2.gz UMUZGDKJUWQFFE-KOLCDFICSA-N 0 0 196.253 2.805 10 30 AFEERN CC1=CC(=O)[C@H]2CC[C@@H]3CCC[C@@]132 238234602 573994326 /nfs/dbraw/zinc/99/43/26/573994326.db2.gz MHBHNLXJGIADLR-HOSYDEDBSA-N 0 0 176.259 2.712 10 30 AFEERN CC1=C2C(=O)CC[C@@]23CCC[C@H]3C1 238234092 573994469 /nfs/dbraw/zinc/99/44/69/573994469.db2.gz HFLRGEBAKHOQHD-JOYOIKCWSA-N 0 0 176.259 2.856 10 30 AFEERN C=C1C(=O)[C@@H](C)CC[C@@H]1C(C)C 238236368 574000114 /nfs/dbraw/zinc/00/01/14/574000114.db2.gz DGJDLNNJDNMQMV-WCBMZHEXSA-N 0 0 166.264 2.814 10 30 AFEERN CC1=C2[C@H]3CCC[C@@]2(CC3)CC1=O 238234251 573996085 /nfs/dbraw/zinc/99/60/85/573996085.db2.gz YTSMYRBTUUWKDY-JOYOIKCWSA-N 0 0 176.259 2.856 10 30 AFEERN CCC1=C(C(C)=O)[C@@H]2[C@H](C1)C2(C)C 238235074 573996141 /nfs/dbraw/zinc/99/61/41/573996141.db2.gz AXDQSYZSBZVRPT-ONGXEEELSA-N 0 0 178.275 2.958 10 30 AFEERN Cc1ccc(C)c([C@H](F)C=O)c1 104468694 573996211 /nfs/dbraw/zinc/99/62/11/573996211.db2.gz IMZKJUHMJCBDJJ-SNVBAGLBSA-N 0 0 166.195 2.513 10 30 AFEERN CC1=C2CC[C@@H]3CCC[C@@]23CC1=O 238234284 573996219 /nfs/dbraw/zinc/99/62/19/573996219.db2.gz WUNKGOFIUKSSJQ-CABZTGNLSA-N 0 0 176.259 2.856 10 30 AFEERN O=C[C@H](F)c1cccc(Cl)c1 104470934 573996279 /nfs/dbraw/zinc/99/62/79/573996279.db2.gz KMUAXWWGMIJCDI-QMMMGPOBSA-N 0 0 172.586 2.550 10 30 AFEERN N#Cc1cccc(N)c1-c1ccccc1 47203523 573997456 /nfs/dbraw/zinc/99/74/56/573997456.db2.gz VNEOKWJMAFVGDI-UHFFFAOYSA-N 0 0 194.237 2.807 10 30 AFEERN C=C1[C@@H](C(=O)CC)[C@@H]1C(C)(C)C 238235457 573996323 /nfs/dbraw/zinc/99/63/23/573996323.db2.gz ZLPZXMVOMRNEME-VHSXEESVSA-N 0 0 166.264 2.814 10 30 AFEERN CC1=C2C(=O)CC[C@]23CCC[C@H]3C1 238234119 573996422 /nfs/dbraw/zinc/99/64/22/573996422.db2.gz HFLRGEBAKHOQHD-CABZTGNLSA-N 0 0 176.259 2.856 10 30 AFEERN CCC[C@@]1(C)C=CC=C(C)C1=O 238235458 573996444 /nfs/dbraw/zinc/99/64/44/573996444.db2.gz GCEQQHTVGTVOJD-NSHDSACASA-N 0 0 164.248 2.878 10 30 AFEERN CC1=C2CC[C@@H]3CCC[C@]23CC1=O 238234273 573996453 /nfs/dbraw/zinc/99/64/53/573996453.db2.gz WUNKGOFIUKSSJQ-JOYOIKCWSA-N 0 0 176.259 2.856 10 30 AFEERN CC(C)[C@H]1CC[C@@](C)(C#N)CC1=O 238235290 573996621 /nfs/dbraw/zinc/99/66/21/573996621.db2.gz YXPYNKTVNUNALR-MWLCHTKSSA-N 0 0 179.263 2.541 10 30 AFEERN CC(C)(C#N)Cc1ccc2[nH]cnc2c1 259264032 573997140 /nfs/dbraw/zinc/99/71/40/573997140.db2.gz XUVJGZSPIFQQQZ-UHFFFAOYSA-N 0 0 199.257 2.655 10 30 AFEERN C=CCCC1=CC[C@@H](CO)C1(C)C 238234892 573996807 /nfs/dbraw/zinc/99/68/07/573996807.db2.gz DOKJKDFPVZYAPD-NSHDSACASA-N 0 0 180.291 2.917 10 30 AFEERN Cc1ccc(C)c([C@@H](F)C=O)c1 104468698 573996815 /nfs/dbraw/zinc/99/68/15/573996815.db2.gz IMZKJUHMJCBDJJ-JTQLQIEISA-N 0 0 166.195 2.513 10 30 AFEERN O=C[C@@H](F)c1cccc(Cl)c1 104470929 573996891 /nfs/dbraw/zinc/99/68/91/573996891.db2.gz KMUAXWWGMIJCDI-MRVPVSSYSA-N 0 0 172.586 2.550 10 30 AFEERN CC1(C)C[C@@H]2CCCC2=CC1=O 238234814 573996899 /nfs/dbraw/zinc/99/68/99/573996899.db2.gz AEAAIXVPIYLCED-VIFPVBQESA-N 0 0 164.248 2.712 10 30 AFEERN C=C1[C@@H](C(C)C)CC[C@@]1(C)CO 238235567 573997077 /nfs/dbraw/zinc/99/70/77/573997077.db2.gz BBVUJICPCDEFJP-MNOVXSKESA-N 0 0 168.280 2.607 10 30 AFEERN C=C1C(=O)CC(C)(C)C[C@@H]2C[C@@]12C 238235523 573997178 /nfs/dbraw/zinc/99/71/78/573997178.db2.gz WRPWPLRLKXGGLK-SKDRFNHKSA-N 0 0 178.275 2.958 10 30 AFEERN CC1(C)C=CC(C)(C)[C@H](C=O)C1 238237128 573999302 /nfs/dbraw/zinc/99/93/02/573999302.db2.gz BLARDUHXGXKSIU-VIFPVBQESA-N 0 0 166.264 2.814 10 30 AFEERN CC1(C)O[C@@H]1c1cccc(F)c1 259266304 573998448 /nfs/dbraw/zinc/99/84/48/573998448.db2.gz LLYNWAYQECPYCF-SECBINFHSA-N 0 0 166.195 2.676 10 30 AFEERN CCC1=C(C)C(=O)[C@@H](C)C[C@@H]1C 238235705 573998490 /nfs/dbraw/zinc/99/84/90/573998490.db2.gz RBDOYSTXXSIIIZ-YUMQZZPRSA-N 0 0 166.264 2.958 10 30 AFEERN N#Cc1ccc(-c2ccccc2F)cn1 47203956 573998732 /nfs/dbraw/zinc/99/87/32/573998732.db2.gz KVJSSIUSGVCDPJ-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CCC1=C(C)C(=O)[C@H](C)C[C@@H]1C 238235802 573998736 /nfs/dbraw/zinc/99/87/36/573998736.db2.gz RBDOYSTXXSIIIZ-JGVFFNPUSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@H]1CC=C(C)C(=O)C1(C)C 238236839 573998877 /nfs/dbraw/zinc/99/88/77/573998877.db2.gz QDDWYDHCCUKPRB-SECBINFHSA-N 0 0 164.248 2.734 10 30 AFEERN N#CC[C@@H](N)c1ccccc1C(F)F 104476591 573999971 /nfs/dbraw/zinc/99/99/71/573999971.db2.gz GSOVJXSKRMKNID-SECBINFHSA-N 0 0 196.200 2.538 10 30 AFEERN C=C[C@]1(C)CCC[C@@H](O)C1(C)C 238236721 574000004 /nfs/dbraw/zinc/00/00/04/574000004.db2.gz ARNACCDEUFKTRO-MWLCHTKSSA-N 0 0 168.280 2.750 10 30 AFEERN C=C1C(=O)CC(C)(C)C[C@@H]2C[C@]12C 238235812 573999678 /nfs/dbraw/zinc/99/96/78/573999678.db2.gz WRPWPLRLKXGGLK-BXKDBHETSA-N 0 0 178.275 2.958 10 30 AFEERN CC1(C)C[C@@H](C=O)C(C)(C)C1 238237108 573999692 /nfs/dbraw/zinc/99/96/92/573999692.db2.gz OUGBTVOSDNCPNO-QMMMGPOBSA-N 0 0 154.253 2.648 10 30 AFEERN C=C[C@@H]1CC=C(C)[C@@H](C=O)C1(C)C 238236875 573999763 /nfs/dbraw/zinc/99/97/63/573999763.db2.gz MVPDEVZTQXUWCH-GHMZBOCLSA-N 0 0 178.275 2.980 10 30 AFEERN CC1=CC[C@@H](C(C)(C)C=O)CC1 238236027 573999770 /nfs/dbraw/zinc/99/97/70/573999770.db2.gz IMKHUHBHEBJHGH-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C=C[C@@]1(C)CCC[C@@H](O)C1(C)C 238236755 573999811 /nfs/dbraw/zinc/99/98/11/573999811.db2.gz ARNACCDEUFKTRO-KOLCDFICSA-N 0 0 168.280 2.750 10 30 AFEERN CC1(C)O[C@H]1c1cccc(F)c1 259266309 574000018 /nfs/dbraw/zinc/00/00/18/574000018.db2.gz LLYNWAYQECPYCF-VIFPVBQESA-N 0 0 166.195 2.676 10 30 AFEERN C=C[C@H]1CC(=O)CC(C)(C)C1 238237051 573999912 /nfs/dbraw/zinc/99/99/12/573999912.db2.gz CPWUIQGKQQUEHH-QMMMGPOBSA-N 0 0 152.237 2.568 10 30 AFEERN N#CC[C@H](N)c1cccc(C(F)F)c1 104477253 574000042 /nfs/dbraw/zinc/00/00/42/574000042.db2.gz BTMPRFPROLESPN-VIFPVBQESA-N 0 0 196.200 2.538 10 30 AFEERN CCC[C@@]1(C)CCC=CC1=O 238235779 574000155 /nfs/dbraw/zinc/00/01/55/574000155.db2.gz PFHXBBOXTSDWTL-JTQLQIEISA-N 0 0 152.237 2.712 10 30 AFEERN C[C@@H](F)c1ccc(O)c(CCC=O)c1 258198763 574000214 /nfs/dbraw/zinc/00/02/14/574000214.db2.gz YCIUETGWKJBSQR-MRVPVSSYSA-N 0 0 196.221 2.554 10 30 AFEERN N#CC[C@H](N)c1ccccc1C(F)F 104476595 574000245 /nfs/dbraw/zinc/00/02/45/574000245.db2.gz GSOVJXSKRMKNID-VIFPVBQESA-N 0 0 196.200 2.538 10 30 AFEERN CCC[C@]12C=CC(=O)[C@H]1CCC2 238238862 574001739 /nfs/dbraw/zinc/00/17/39/574001739.db2.gz HMUGHVDDXWPYNS-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN N#CC[C@@H](N)c1cccc(C(F)F)c1 104477252 574001882 /nfs/dbraw/zinc/00/18/82/574001882.db2.gz BTMPRFPROLESPN-SECBINFHSA-N 0 0 196.200 2.538 10 30 AFEERN CCC1=C(CC)C(=O)[C@@H](C)C1 238237513 574001901 /nfs/dbraw/zinc/00/19/01/574001901.db2.gz UNZQCMSMMMSPGC-ZETCQYMHSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@@H](CC=O)c1cc(O)ccc1Cl 258198398 574002193 /nfs/dbraw/zinc/00/21/93/574002193.db2.gz SGLYVDMCCYLDLA-ZETCQYMHSA-N 0 0 198.649 2.738 10 30 AFEERN CC1=CC[C@@H](CCC=O)C1(C)C 238237412 574002228 /nfs/dbraw/zinc/00/22/28/574002228.db2.gz JTEWRSBQZKQEDG-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN C[C@H](CC=O)c1cc(O)ccc1Cl 258198395 574002279 /nfs/dbraw/zinc/00/22/79/574002279.db2.gz SGLYVDMCCYLDLA-SSDOTTSWSA-N 0 0 198.649 2.738 10 30 AFEERN C=CC[C@H]1CC(=O)CC(C)(C)C1 238237517 574003667 /nfs/dbraw/zinc/00/36/67/574003667.db2.gz QKTJKOYPUFPKAA-VIFPVBQESA-N 0 0 166.264 2.958 10 30 AFEERN CCCCC1(C#N)CCC(=O)CC1 238237563 574003093 /nfs/dbraw/zinc/00/30/93/574003093.db2.gz LAAIZLKWORRQRF-UHFFFAOYSA-N 0 0 179.263 2.830 10 30 AFEERN CCC1=C(CC)C(C)(C)C1=O 238237565 574003118 /nfs/dbraw/zinc/00/31/18/574003118.db2.gz KEMPIBRGUIDRPT-UHFFFAOYSA-N 0 0 152.237 2.712 10 30 AFEERN C[C@H](F)c1ccc(O)c(CCC=O)c1 258198765 574003214 /nfs/dbraw/zinc/00/32/14/574003214.db2.gz YCIUETGWKJBSQR-QMMMGPOBSA-N 0 0 196.221 2.554 10 30 AFEERN CCC1=C(CC)[C@H](C)CC1=O 238237442 574003299 /nfs/dbraw/zinc/00/32/99/574003299.db2.gz KKVZVVFEWYGGEC-SSDOTTSWSA-N 0 0 152.237 2.712 10 30 AFEERN Cc1cc2cc[nH]c2cc1CCC#N 259591660 574003566 /nfs/dbraw/zinc/00/35/66/574003566.db2.gz ZUNBDYORZSRHDF-UHFFFAOYSA-N 0 0 184.242 2.933 10 30 AFEERN C=C1CCC(C)=CC[C@H]1CCO 238237487 574003627 /nfs/dbraw/zinc/00/36/27/574003627.db2.gz PGOMWWFBBPYLKS-NSHDSACASA-N 0 0 166.264 2.671 10 30 AFEERN Cc1ccc(C(=O)CC#N)c(C)c1C 259271888 574004510 /nfs/dbraw/zinc/00/45/10/574004510.db2.gz UJKRUTFDGXPRPL-UHFFFAOYSA-N 0 0 187.242 2.708 10 30 AFEERN CCC1=CC(=O)C[C@H](C)[C@H]1C 238239320 574004649 /nfs/dbraw/zinc/00/46/49/574004649.db2.gz OHGRACKWDCXSGX-JGVFFNPUSA-N 0 0 152.237 2.568 10 30 AFEERN CCC1=CCCC(C)(C)[C@@H]1C=O 238240053 574006694 /nfs/dbraw/zinc/00/66/94/574006694.db2.gz QIDYMXYHQCYHCE-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN CCC1=CCCC(C)(C)[C@H]1C=O 238240075 574006053 /nfs/dbraw/zinc/00/60/53/574006053.db2.gz QIDYMXYHQCYHCE-JTQLQIEISA-N 0 0 166.264 2.958 10 30 AFEERN CCC1=CC(=O)C[C@@H](C)[C@@H]1C 238239205 574006077 /nfs/dbraw/zinc/00/60/77/574006077.db2.gz OHGRACKWDCXSGX-SFYZADRCSA-N 0 0 152.237 2.568 10 30 AFEERN CCC1=CC(=O)C[C@H](C(C)C)C1 238239279 574006131 /nfs/dbraw/zinc/00/61/31/574006131.db2.gz SDMHYXOEEMPWOF-SNVBAGLBSA-N 0 0 166.264 2.958 10 30 AFEERN [N-]=[N+]=Nc1ncnc2c1CCCCC2 87667268 574006157 /nfs/dbraw/zinc/00/61/57/574006157.db2.gz IODPCWLHFYUBRR-UHFFFAOYSA-N 0 0 189.222 2.687 10 30 AFEERN CCC1=CC(=O)[C@H](C)C[C@@H]1C 238239599 574006280 /nfs/dbraw/zinc/00/62/80/574006280.db2.gz SUUZPNFUEHEFAV-JGVFFNPUSA-N 0 0 152.237 2.568 10 30 AFEERN CCCCC1=CC(=O)CCS1 238239816 574006419 /nfs/dbraw/zinc/00/64/19/574006419.db2.gz OGBFXHTWCXNBPN-UHFFFAOYSA-N 0 0 170.277 2.767 10 30 AFEERN CCCCC1CCCC(=O)C1=O 238239512 574006464 /nfs/dbraw/zinc/00/64/64/574006464.db2.gz RSLOYQPIYABQHK-UHFFFAOYSA-N 0 0 168.236 2.742 10 30 AFEERN Cc1cc2cccc(CC=O)c2s1 258199888 574006741 /nfs/dbraw/zinc/00/67/41/574006741.db2.gz UNPMMTLOQAFRFM-UHFFFAOYSA-N 0 0 190.267 2.951 10 30 AFEERN C=C[C@@]12CCC[C@@H](C1=O)C2(C)C 238239637 574006607 /nfs/dbraw/zinc/00/66/07/574006607.db2.gz CYSGBEYYNUCGHR-GZMMTYOYSA-N 0 0 164.248 2.568 10 30 AFEERN CCC1=CC(=O)[C@@](C)(Cl)[C@H]1C 238239559 574006633 /nfs/dbraw/zinc/00/66/33/574006633.db2.gz CGLIKGBFSCSBKI-RCOVLWMOSA-N 0 0 172.655 2.539 10 30 AFEERN CC(C)(C)c1nsc(N=[N+]=[N-])n1 87667432 574006749 /nfs/dbraw/zinc/00/67/49/574006749.db2.gz BJNRDGWFHGVHRY-UHFFFAOYSA-N 0 0 183.240 2.777 10 30 AFEERN COc1c(Cl)c(C)cc(C)c1C#N 258203072 574009056 /nfs/dbraw/zinc/00/90/56/574009056.db2.gz YNVWRDGUUCTZMD-UHFFFAOYSA-N 0 0 195.649 2.837 10 30 AFEERN CC1=C[C@@H](C=O)C(C)(C)CC1 238247411 574009026 /nfs/dbraw/zinc/00/90/26/574009026.db2.gz SXVXQAQUPIQJDD-VIFPVBQESA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)=CC(=O)CC(C)C 111348003 574009969 /nfs/dbraw/zinc/00/99/69/574009969.db2.gz BHVIOAZXXVWBGQ-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN C=C[C@@H]1C=CCCC1 111349859 574010010 /nfs/dbraw/zinc/01/00/10/574010010.db2.gz YYTUUFMWKBIPEY-MRVPVSSYSA-N 0 0 108.184 2.529 10 30 AFEERN CCC(=O)c1cccc([C@H](C)C#N)c1 238246160 574010014 /nfs/dbraw/zinc/01/00/14/574010014.db2.gz QLPLOWONCGNGOP-SECBINFHSA-N 0 0 187.242 2.906 10 30 AFEERN CC1=C(C)[C@]2(C)CCC[C@@H]2C1=O 238247566 574010253 /nfs/dbraw/zinc/01/02/53/574010253.db2.gz KCYZCYJRENCCRK-KOLCDFICSA-N 0 0 164.248 2.712 10 30 AFEERN CCCC/C(CCC)=N\O 111348824 574010413 /nfs/dbraw/zinc/01/04/13/574010413.db2.gz AKLMPECUKBNPII-HJWRWDBZSA-N 0 0 143.230 2.807 10 30 AFEERN Cc1cc(Cl)c(C)c(C#N)c1F 258203339 574010499 /nfs/dbraw/zinc/01/04/99/574010499.db2.gz YQZYMUYRDVKKGM-UHFFFAOYSA-N 0 0 183.613 2.968 10 30 AFEERN CCC(=O)c1cccc([C@@H](C)C#N)c1 238246144 574010612 /nfs/dbraw/zinc/01/06/12/574010612.db2.gz QLPLOWONCGNGOP-VIFPVBQESA-N 0 0 187.242 2.906 10 30 AFEERN CC1=CC(=O)[C@H](C(C)(C)C)S1 111345296 574010625 /nfs/dbraw/zinc/01/06/25/574010625.db2.gz OAAHETJNJITZLV-MRVPVSSYSA-N 0 0 170.277 2.621 10 30 AFEERN CC(C)CNC1=CC(=O)CC(C)(C)C1 111350606 574012411 /nfs/dbraw/zinc/01/24/11/574012411.db2.gz TWJANHDHUVWEPJ-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN CC=C=C(CC=O)c1ccccc1 238240489 574012520 /nfs/dbraw/zinc/01/25/20/574012520.db2.gz TWDLLYMHICTSGT-UHFFFAOYSA-N 0 0 172.227 2.834 10 30 AFEERN C=C[C@@H]1CC(=O)CC(C)(C)C1 238247115 574014246 /nfs/dbraw/zinc/01/42/46/574014246.db2.gz CPWUIQGKQQUEHH-MRVPVSSYSA-N 0 0 152.237 2.568 10 30 AFEERN CC(C)Cc1occc1CC#N 259592751 574015173 /nfs/dbraw/zinc/01/51/73/574015173.db2.gz CAEPHZMDCMWVFF-UHFFFAOYSA-N 0 0 163.220 2.544 10 30 AFEERN N#Cc1ccc2scc(C=O)c2c1 224799880 574015398 /nfs/dbraw/zinc/01/53/98/574015398.db2.gz ZWZKMJJWJCQUBJ-UHFFFAOYSA-N 0 0 187.223 2.585 10 30 AFEERN Cc1cnc2ccc(CC#N)cc2c1 259273334 574017192 /nfs/dbraw/zinc/01/71/92/574017192.db2.gz SHLFDERDQXBOPW-UHFFFAOYSA-N 0 0 182.226 2.609 10 30 AFEERN C[C@@H](O)C1(C#N)CCCCCCC1 87690360 574017202 /nfs/dbraw/zinc/01/72/02/574017202.db2.gz ODCXMDPTVALGFS-SNVBAGLBSA-N 0 0 181.279 2.621 10 30 AFEERN Cc1ccc(-c2cc(C#N)n(C)c2)cc1 259278758 574023076 /nfs/dbraw/zinc/02/30/76/574023076.db2.gz SSAGKUVZNVSDIB-UHFFFAOYSA-N 0 0 196.253 2.872 10 30 AFEERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C=O)C2 104511205 574023083 /nfs/dbraw/zinc/02/30/83/574023083.db2.gz XKOGXRMDXIYVDT-KKZNHRDASA-N 0 0 166.264 2.648 10 30 AFEERN N#CCCc1ccc(Cl)c(F)c1 104516810 574023274 /nfs/dbraw/zinc/02/32/74/574023274.db2.gz AFGXEEUWOKOWIF-UHFFFAOYSA-N 0 0 183.613 2.935 10 30 AFEERN C[C@]1(CCC=O)CCCCCC1=O 223753998 574023300 /nfs/dbraw/zinc/02/33/00/574023300.db2.gz JIBMWPLFINFEAQ-LLVKDONJSA-N 0 0 182.263 2.505 10 30 AFEERN N#Cc1cnc(-c2ccccc2)c(F)c1 238581045 574024369 /nfs/dbraw/zinc/02/43/69/574024369.db2.gz VEYXBHVCNGFGJE-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CC(C)C[C@H](C#N)[C@@H](C)F 258467044 574027458 /nfs/dbraw/zinc/02/74/58/574027458.db2.gz HTTAHBCVKWBAMO-HTQZYQBOSA-N 0 0 143.205 2.530 10 30 AFEERN CC[C@@H](C)N[C@@]1(C#N)CCC(C)(C)C1 87772698 574027480 /nfs/dbraw/zinc/02/74/80/574027480.db2.gz TWNUSLWBTSLGJZ-PWSUYJOCSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)N[C@]1(C#N)CCC(C)(C)C1 87772697 574027564 /nfs/dbraw/zinc/02/75/64/574027564.db2.gz TWNUSLWBTSLGJZ-CMPLNLGQSA-N 0 0 194.322 2.847 10 30 AFEERN CC[C@H](C)N[C@@]1(C#N)CCC(C)(C)C1 87772699 574027577 /nfs/dbraw/zinc/02/75/77/574027577.db2.gz TWNUSLWBTSLGJZ-JQWIXIFHSA-N 0 0 194.322 2.847 10 30 AFEERN CC(C)C[C@@H](C#N)[C@@H](C)F 258467052 574027225 /nfs/dbraw/zinc/02/72/25/574027225.db2.gz HTTAHBCVKWBAMO-SFYZADRCSA-N 0 0 143.205 2.530 10 30 AFEERN CC[C@@](C)(C#N)[C@]1(O)CCC(C)(C)C1 87773893 574028963 /nfs/dbraw/zinc/02/89/63/574028963.db2.gz ZJHXPFXBAPOAAM-RYUDHWBXSA-N 0 0 195.306 2.867 10 30 AFEERN CCC[C@@H](C#N)[C@@]1(O)CCC(C)(C)C1 87773919 574028650 /nfs/dbraw/zinc/02/86/50/574028650.db2.gz NYXCBNJGGMZGLF-CMPLNLGQSA-N 0 0 195.306 2.867 10 30 AFEERN Cc1c(N)cc2cc(C#N)oc2c1C 259283511 574028659 /nfs/dbraw/zinc/02/86/59/574028659.db2.gz AJQNKWGGSWMYRB-UHFFFAOYSA-N 0 0 186.214 2.504 10 30 AFEERN N#Cc1cc(-c2ccc(F)cc2)c[nH]1 259284443 574028716 /nfs/dbraw/zinc/02/87/16/574028716.db2.gz TYTFFWCYGUEQJD-UHFFFAOYSA-N 0 0 186.189 2.692 10 30 AFEERN CC1(C)CC[C@@](C#N)(N2CCCC2)C1 87773386 574028819 /nfs/dbraw/zinc/02/88/19/574028819.db2.gz HVQZHNZYXJTUPC-GFCCVEGCSA-N 0 0 192.306 2.555 10 30 AFEERN CC1(C)CC[C@@](O)(C2(C#N)CCC2)C1 87773922 574028860 /nfs/dbraw/zinc/02/88/60/574028860.db2.gz LWBGPNUCFHEBDB-LBPRGKRZSA-N 0 0 193.290 2.621 10 30 AFEERN CC1(C)C[C@H]1Nc1cccc(C#N)c1 227614787 574031323 /nfs/dbraw/zinc/03/13/23/574031323.db2.gz CQKZIDPBJQJWEN-LLVKDONJSA-N 0 0 186.258 2.769 10 30 AFEERN CC(C)CS[C@H](C#N)C(C)C 85299323 574030061 /nfs/dbraw/zinc/03/00/61/574030061.db2.gz BFHYBCQWFYAEJR-SECBINFHSA-N 0 0 171.309 2.924 10 30 AFEERN CC(C)S[C@@H](C#N)C(C)C 85289872 574030129 /nfs/dbraw/zinc/03/01/29/574030129.db2.gz YPMDADZVUCXILT-QMMMGPOBSA-N 0 0 157.282 2.676 10 30 AFEERN CC(=O)C(=O)Cc1ccc(C)cc1C 258524787 574030133 /nfs/dbraw/zinc/03/01/33/574030133.db2.gz GRYPIZUQUKGBFL-GHXNOFRVSA-N 0 0 190.242 2.791 10 30 AFEERN CC[C@H](C#N)c1cc2ccccc2nn1 259284970 574030157 /nfs/dbraw/zinc/03/01/57/574030157.db2.gz BTPMQNOEUZOOAM-SECBINFHSA-N 0 0 197.241 2.647 10 30 AFEERN CC(C)S[C@H](C#N)C(C)C 85289868 574030173 /nfs/dbraw/zinc/03/01/73/574030173.db2.gz YPMDADZVUCXILT-MRVPVSSYSA-N 0 0 157.282 2.676 10 30 AFEERN CCCS[C@H](C#N)C(C)C 85289866 574030288 /nfs/dbraw/zinc/03/02/88/574030288.db2.gz WERNKLNLQSEWMV-MRVPVSSYSA-N 0 0 157.282 2.678 10 30 AFEERN N#Cc1ccc(Cl)c(NCCF)c1 87775403 574030337 /nfs/dbraw/zinc/03/03/37/574030337.db2.gz YUTQSRCXQRJKTL-UHFFFAOYSA-N 0 0 198.628 2.593 10 30 AFEERN Cc1cc(C#N)cc(C)c1OCCF 87775472 574030448 /nfs/dbraw/zinc/03/04/48/574030448.db2.gz MCHMULONCAQQOZ-UHFFFAOYSA-N 0 0 193.221 2.523 10 30 AFEERN C=C(CC)C[C@H](O)C[C@@H]1CCCCO1 128286253 574031478 /nfs/dbraw/zinc/03/14/78/574031478.db2.gz UOTHPAZQNJKPAS-RYUDHWBXSA-N 0 0 198.306 2.663 10 30 AFEERN Cc1cc(C#N)cc2sc(C#N)cc12 306965134 574035008 /nfs/dbraw/zinc/03/50/08/574035008.db2.gz JZBIHSYPYJVUGB-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN CC(C)=C[C@H](C)CCC=O 197909863 574035035 /nfs/dbraw/zinc/03/50/35/574035035.db2.gz VSLDQJLOIISZKB-SECBINFHSA-N 0 0 140.226 2.568 10 30 AFEERN Cc1csc2cc(O)c(C#N)cc12 306959098 574035820 /nfs/dbraw/zinc/03/58/20/574035820.db2.gz WZUNLOCMYKPKQV-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN CC[C@H](C)n1cc(C#N)c(C(C)C)n1 259288184 574035483 /nfs/dbraw/zinc/03/54/83/574035483.db2.gz CWCXKAPKXHLTOA-VIFPVBQESA-N 0 0 191.278 2.849 10 30 AFEERN C=CCC(=O)c1cccc(OC)c1F 128198251 574035799 /nfs/dbraw/zinc/03/57/99/574035799.db2.gz YHLWSESXOLSYAE-UHFFFAOYSA-N 0 0 194.205 2.593 10 30 AFEERN COC(C)(C)Cc1cccc(C#N)c1 259288031 574035952 /nfs/dbraw/zinc/03/59/52/574035952.db2.gz CUPSOIHZSCZKEI-UHFFFAOYSA-N 0 0 189.258 2.526 10 30 AFEERN CC[C@H](F)CNc1ccc(C#N)cc1 306957327 574036014 /nfs/dbraw/zinc/03/60/14/574036014.db2.gz SXCKWERVORGDOX-JTQLQIEISA-N 0 0 192.237 2.718 10 30 AFEERN CC(C)(S)C1CCCC1 259289992 574036167 /nfs/dbraw/zinc/03/61/67/574036167.db2.gz PWIFHGPSRAWBBC-UHFFFAOYSA-N 0 0 144.283 2.885 10 30 AFEERN CC[C@@H](C)n1cc(C#N)c(C(C)C)n1 259288181 574036278 /nfs/dbraw/zinc/03/62/78/574036278.db2.gz CWCXKAPKXHLTOA-SECBINFHSA-N 0 0 191.278 2.849 10 30 AFEERN C#CCCC(=O)CC1=CCCCC1 128215007 574038220 /nfs/dbraw/zinc/03/82/20/574038220.db2.gz ZSTQAYIJEQURGO-UHFFFAOYSA-N 0 0 176.259 2.859 10 30 AFEERN Cc1sc2cccc(C#N)c2c1[O-] 306970615 574037242 /nfs/dbraw/zinc/03/72/42/574037242.db2.gz QYNWIYJVOFUZKT-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN CC[C@H](C#N)[C@H](NC)c1cccs1 259291379 574037317 /nfs/dbraw/zinc/03/73/17/574037317.db2.gz PYQHNOBRJGYWMA-SCZZXKLOSA-N 0 0 194.303 2.558 10 30 AFEERN Cc1ccc2c(c1C#N)CC(=O)S2 306960844 574037735 /nfs/dbraw/zinc/03/77/35/574037735.db2.gz ZQXMHYMKOPYMDG-UHFFFAOYSA-N 0 0 189.239 2.787 10 30 AFEERN CC[C@H](C#N)[C@@H](NC)c1cccs1 259291374 574037742 /nfs/dbraw/zinc/03/77/42/574037742.db2.gz PYQHNOBRJGYWMA-PSASIEDQSA-N 0 0 194.303 2.558 10 30 AFEERN Cc1ccc(C#N)c2sc(C#N)cc12 306977020 574037765 /nfs/dbraw/zinc/03/77/65/574037765.db2.gz ZDASDNUVOSARSA-UHFFFAOYSA-N 0 0 198.250 2.953 10 30 AFEERN CC(C)N[C@@H](C#N)C1(C(C)C)CCC1 686133928 574040647 /nfs/dbraw/zinc/04/06/47/574040647.db2.gz RXJWLRCRNJUXJF-NSHDSACASA-N 0 0 194.322 2.703 10 30 AFEERN CC(=O)C(=O)Cc1cc(C)ccc1C 258468179 574040865 /nfs/dbraw/zinc/04/08/65/574040865.db2.gz AFAVRGRSQIJTOZ-GHXNOFRVSA-N 0 0 190.242 2.791 10 30 AFEERN C=CC[C@H](O)c1cnc2ccccc2c1 128254705 574042604 /nfs/dbraw/zinc/04/26/04/574042604.db2.gz WIDCLFFCFGFONX-ZDUSSCGKSA-N 0 0 199.253 2.844 10 30 AFEERN CC1(C)O[C@@H]1c1ccc(F)c(F)c1 259297183 574042353 /nfs/dbraw/zinc/04/23/53/574042353.db2.gz MZXHIWLSLZYWAA-SECBINFHSA-N 0 0 184.185 2.815 10 30 AFEERN CC1(C)O[C@H]1c1ccc(F)c(F)c1 259297185 574042881 /nfs/dbraw/zinc/04/28/81/574042881.db2.gz MZXHIWLSLZYWAA-VIFPVBQESA-N 0 0 184.185 2.815 10 30 AFEERN Cc1c(N)ccc2sc(C#N)cc12 259519906 574047072 /nfs/dbraw/zinc/04/70/72/574047072.db2.gz XGQFIUSDZBTECY-UHFFFAOYSA-N 0 0 188.255 2.664 10 30 AFEERN CCN(CC)c1c(C)cccc1C#N 220980266 574045184 /nfs/dbraw/zinc/04/51/84/574045184.db2.gz WERSEKXMJGUVMC-UHFFFAOYSA-N 0 0 188.274 2.713 10 30 AFEERN Cc1cccc(C#N)c1N(C)C(C)C 220990922 574045399 /nfs/dbraw/zinc/04/53/99/574045399.db2.gz XETWOWJOKAWJPX-UHFFFAOYSA-N 0 0 188.274 2.711 10 30 AFEERN SCCc1nccc2ccccc12 259299960 574045481 /nfs/dbraw/zinc/04/54/81/574045481.db2.gz CNKCFATXFLVPRG-UHFFFAOYSA-N 0 0 189.283 2.707 10 30 AFEERN CC1=CC(=C(C)C)C=C(C)C1=O 113082465 574046610 /nfs/dbraw/zinc/04/66/10/574046610.db2.gz RHWPJPLFJUNKQH-UHFFFAOYSA-N 0 0 162.232 2.798 10 30 AFEERN C=C1[C@@H](O)[C@H](C(C)C)CC[C@H]1C 209676699 574046631 /nfs/dbraw/zinc/04/66/31/574046631.db2.gz WNDJHODLYQARJS-DVVUODLYSA-N 0 0 168.280 2.606 10 30 AFEERN CCCCCCC[C@]1(C)CC(=O)N1 113211388 574047046 /nfs/dbraw/zinc/04/70/46/574047046.db2.gz CLESRIFJGLUXHL-LLVKDONJSA-N 0 0 183.295 2.626 10 30 AFEERN N#Cc1cc2c(N)c(Cl)ccc2o1 259300466 574047326 /nfs/dbraw/zinc/04/73/26/574047326.db2.gz BPDGSDSFQYJYQU-UHFFFAOYSA-N 0 0 192.605 2.540 10 30 AFEERN O=CCC1C2CC3CC(C2)CC1C3 113229270 574047424 /nfs/dbraw/zinc/04/74/24/574047424.db2.gz PBXPTNHWKPNUJY-UHFFFAOYSA-N 0 0 178.275 2.648 10 30 AFEERN C=C(C)[C@H]1CC=C(COC(C)=O)CC1 1850638 574411585 /nfs/dbraw/zinc/41/15/85/574411585.db2.gz WTXBCFKGCNWPLS-LBPRGKRZSA-N 0 0 194.274 2.852 10 30 endogenous,in-man AFEERN C=C(C)[C@@H]1CC=C(COC(C)=O)CC1 1850637 574411587 /nfs/dbraw/zinc/41/15/87/574411587.db2.gz WTXBCFKGCNWPLS-GFCCVEGCSA-N 0 0 194.274 2.852 10 30 endogenous,in-man AFEERN CCCCCCCCC(=O)C(C)=O 1850811 574411626 /nfs/dbraw/zinc/41/16/26/574411626.db2.gz RMMFUALOIIVORL-UHFFFAOYSA-N 0 0 184.279 2.895 10 30 endogenous,in-man AFEERN C=C(C)CCC[C@@H](C)CCOC=O 1850997 574411651 /nfs/dbraw/zinc/41/16/51/574411651.db2.gz VMBKZHMLQXCNCP-LLVKDONJSA-N 0 0 184.279 2.932 10 30 endogenous,in-man AFEERN C=C(C)CCC[C@H](C)CCOC=O 1850996 574411653 /nfs/dbraw/zinc/41/16/53/574411653.db2.gz VMBKZHMLQXCNCP-NSHDSACASA-N 0 0 184.279 2.932 10 30 endogenous,in-man AFEERN CC12[C@H]3CC(C[C@H]31)[C@]2(C)CCC=O 14770824 574413664 /nfs/dbraw/zinc/41/36/64/574413664.db2.gz GBXFUOBZYUTFOP-QHTHRSRISA-N 0 0 178.275 2.648 10 30 endogenous,in-man AFEERN CCC(C)(C)C[C@@]1(C)O[C@@H]1C 38171506 575189035 /nfs/dbraw/zinc/18/90/35/575189035.db2.gz NAXYTJIPVBENDF-PSASIEDQSA-N 0 0 156.269 2.990 10 30 AFEERN C[C@@H]1O[C@]1(C)[C@@H](C)C(C)(C)C 38171501 575189061 /nfs/dbraw/zinc/18/90/61/575189061.db2.gz UUWFHLAPSVVOMV-OYNCUSHFSA-N 0 0 156.269 2.846 10 30 AFEERN CCC(C)(C)C[C@]1(C)O[C@H]1C 38171505 575189085 /nfs/dbraw/zinc/18/90/85/575189085.db2.gz NAXYTJIPVBENDF-WPRPVWTQSA-N 0 0 156.269 2.990 10 30 AFEERN CC(C)C(C)(C)[C@@]1(C)O[C@@H]1C 38171508 575189092 /nfs/dbraw/zinc/18/90/92/575189092.db2.gz PVMVAUMLCODUKN-SCZZXKLOSA-N 0 0 156.269 2.846 10 30 AFEERN CC1(C)CCC(C=NO)CC1 379282494 575189154 /nfs/dbraw/zinc/18/91/54/575189154.db2.gz DUKRBPQZSCQFCK-UHFFFAOYSA-N 0 0 155.241 2.663 10 30 AFEERN C=C(F)Cc1ccc(OC)cc1 13621 575189209 /nfs/dbraw/zinc/18/92/09/575189209.db2.gz VCBHQMNVLDFVLV-UHFFFAOYSA-N 0 0 166.195 2.721 10 30 AFEERN CCC(C)(C)C[C@@]1(C)O[C@H]1C 38171504 575189298 /nfs/dbraw/zinc/18/92/98/575189298.db2.gz NAXYTJIPVBENDF-WCBMZHEXSA-N 0 0 156.269 2.990 10 30 AFEERN CC(C)C(C)(C)[C@@]1(C)O[C@H]1C 38171509 575189321 /nfs/dbraw/zinc/18/93/21/575189321.db2.gz PVMVAUMLCODUKN-WPRPVWTQSA-N 0 0 156.269 2.846 10 30 AFEERN CC(C)C(C)(C)[C@]1(C)O[C@@H]1C 38171510 575189349 /nfs/dbraw/zinc/18/93/49/575189349.db2.gz PVMVAUMLCODUKN-PSASIEDQSA-N 0 0 156.269 2.846 10 30 AFEERN CC(C)C(C)(C)[C@]1(C)O[C@H]1C 38171511 575189483 /nfs/dbraw/zinc/18/94/83/575189483.db2.gz PVMVAUMLCODUKN-WCBMZHEXSA-N 0 0 156.269 2.846 10 30 AFEERN C[C@@H]1O[C@@]1(C)[C@@H](C)C(C)(C)C 38171503 575189529 /nfs/dbraw/zinc/18/95/29/575189529.db2.gz UUWFHLAPSVVOMV-NRPADANISA-N 0 0 156.269 2.846 10 30 AFEERN C=C(C)CN(C)C(=O)[C@H](C)CCCC 669663297 486730602 /nfs/dbraw/zinc/73/06/02/486730602.db2.gz GOYIOVSCJMFFSS-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCNC(=O)[C@@H](C)CCCC 669665883 486730692 /nfs/dbraw/zinc/73/06/92/486730692.db2.gz HVDPLCKTETYLMN-NSHDSACASA-N 0 0 197.322 2.895 10 30 AFEERN C=C(C)CN(C)C(=O)[C@@H](C)CCCC 669663298 486730840 /nfs/dbraw/zinc/73/08/40/486730840.db2.gz GOYIOVSCJMFFSS-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCNC(=O)[C@H](C)CCCC 669665882 486730966 /nfs/dbraw/zinc/73/09/66/486730966.db2.gz HVDPLCKTETYLMN-LLVKDONJSA-N 0 0 197.322 2.895 10 30 AFEERN C=C/C(C)=C/CC(=O)N(C)CC(=C)C 670420073 486740767 /nfs/dbraw/zinc/74/07/67/486740767.db2.gz ITZHZVMQYRKJMV-YRNVUSSQSA-N 0 0 193.290 2.543 10 30 AFEERN C=C/C(C)=C\CC(=O)N(C)CC(=C)C 670420072 486740847 /nfs/dbraw/zinc/74/08/47/486740847.db2.gz ITZHZVMQYRKJMV-XFFZJAGNSA-N 0 0 193.290 2.543 10 30 AFEERN C=CCCn1ccc(-c2ccccn2)n1 671619426 486748755 /nfs/dbraw/zinc/74/87/55/486748755.db2.gz BJBFZQPGSHSWIC-UHFFFAOYSA-N 0 0 199.257 2.521 10 30 AFEERN C=C(C)CN(C)C(=O)CC[C@H](C)CC 671790752 486756434 /nfs/dbraw/zinc/75/64/34/486756434.db2.gz AVXKVGYEVSPWPU-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)CN(C)C(=O)CC[C@@H](C)CC 671790753 486756668 /nfs/dbraw/zinc/75/66/68/486756668.db2.gz AVXKVGYEVSPWPU-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCNC(=O)CC[C@@H](C)CC 671824814 486757155 /nfs/dbraw/zinc/75/71/55/486757155.db2.gz CSMFWWVUKHBGGF-NSHDSACASA-N 0 0 197.322 2.895 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H]1C 671901680 486757241 /nfs/dbraw/zinc/75/72/41/486757241.db2.gz TWCAPYZGTNMYFO-OUAUKWLOSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@@H]1C 671901679 486757280 /nfs/dbraw/zinc/75/72/80/486757280.db2.gz TWCAPYZGTNMYFO-GARJFASQSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@H]1C 671901681 486757430 /nfs/dbraw/zinc/75/74/30/486757430.db2.gz TWCAPYZGTNMYFO-VWYCJHECSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@@H]1C 671901678 486757587 /nfs/dbraw/zinc/75/75/87/486757587.db2.gz TWCAPYZGTNMYFO-DCAQKATOSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCCCNC(=O)CC[C@H](C)CC 671824812 486757890 /nfs/dbraw/zinc/75/78/90/486757890.db2.gz CSMFWWVUKHBGGF-LLVKDONJSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCN(C)c1ccc(F)cn1 672219709 486762540 /nfs/dbraw/zinc/76/25/40/486762540.db2.gz FFIBDCOFSGYVNC-UHFFFAOYSA-N 0 0 194.253 2.623 10 30 AFEERN C=C(C)CN(CC)c1ccc(F)cn1 672160524 486763165 /nfs/dbraw/zinc/76/31/65/486763165.db2.gz CGJLHCRIXHRPJW-UHFFFAOYSA-N 0 0 194.253 2.623 10 30 AFEERN C=C(C)CN(C)c1ccc(C#N)cc1 61956366 486764374 /nfs/dbraw/zinc/76/43/74/486764374.db2.gz AXPULQMOOXMRTC-UHFFFAOYSA-N 0 0 186.258 2.571 10 30 AFEERN C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@@H]1C 672345113 486766307 /nfs/dbraw/zinc/76/63/07/486766307.db2.gz NSPHZYAFJQVSNE-JBLDHEPKSA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H]1C 672345112 486766420 /nfs/dbraw/zinc/76/64/20/486766420.db2.gz NSPHZYAFJQVSNE-HOSYDEDBSA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H]1C 672345114 486766513 /nfs/dbraw/zinc/76/65/13/486766513.db2.gz NSPHZYAFJQVSNE-JFGNBEQYSA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H]1C 672345111 486766579 /nfs/dbraw/zinc/76/65/79/486766579.db2.gz NSPHZYAFJQVSNE-CKYFFXLPSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)CNC(=O)CC1(C)CCCC1 673609077 486774072 /nfs/dbraw/zinc/77/40/72/486774072.db2.gz MBCAUEVSMRZVOD-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=C[C@@H](C)NC(=O)CC1(C)CCCC1 673606435 486774338 /nfs/dbraw/zinc/77/43/38/486774338.db2.gz XLBDQXFADZXCSP-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=C[C@H](C)NC(=O)CC1(C)CCCC1 673606432 486774619 /nfs/dbraw/zinc/77/46/19/486774619.db2.gz XLBDQXFADZXCSP-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCC(=O)N(CC)C[C@@H](C)CC 673956446 486783596 /nfs/dbraw/zinc/78/35/96/486783596.db2.gz DBKLKVZTSRSTFS-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCC(=O)N(CC)C[C@H](C)CC 673956445 486783750 /nfs/dbraw/zinc/78/37/50/486783750.db2.gz DBKLKVZTSRSTFS-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)CN(CC)C(=O)C1(CC)CC1 674080025 486787102 /nfs/dbraw/zinc/78/71/02/486787102.db2.gz HARUGECBBVNMBQ-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCCN(C)C(=O)C1(CC)CC1 674094360 486787820 /nfs/dbraw/zinc/78/78/20/486787820.db2.gz JCVNAHOYTZEGQI-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)CN(CC)C(=O)C1(C)CCC1 674235558 486788744 /nfs/dbraw/zinc/78/87/44/486788744.db2.gz FDWROKOKRBNVRC-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCCN(C)C(=O)C1(C)CCC1 674243937 486789817 /nfs/dbraw/zinc/78/98/17/486789817.db2.gz OBVPCOVDMXTIQO-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCC(=O)N(C)[C@H](C)C1(C)CC1 674537452 486806350 /nfs/dbraw/zinc/80/63/50/486806350.db2.gz HTNDPHRYFYUZPV-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N(C)[C@@H](C)C1(C)CC1 674537451 486806369 /nfs/dbraw/zinc/80/63/69/486806369.db2.gz HTNDPHRYFYUZPV-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCCN(C)c1ncccc1F 674650535 486807852 /nfs/dbraw/zinc/80/78/52/486807852.db2.gz QGNRHVBGDVZGNG-UHFFFAOYSA-N 0 0 194.253 2.623 10 30 AFEERN C=CCCC(=O)N(CCC)C(C)(C)C 674753975 486810547 /nfs/dbraw/zinc/81/05/47/486810547.db2.gz DLAPGVJYEJOUFV-UHFFFAOYSA-N 0 0 197.322 2.990 10 30 AFEERN C=CCCC(=O)N1CC[C@](C)(CC)C1 675179241 486830113 /nfs/dbraw/zinc/83/01/13/486830113.db2.gz HJORGONOLOETNS-LBPRGKRZSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCC(=O)N1CC[C@@](C)(CC)C1 675179238 486830198 /nfs/dbraw/zinc/83/01/98/486830198.db2.gz HJORGONOLOETNS-GFCCVEGCSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCCN(C)c1cc(C)ccn1 675287950 486833597 /nfs/dbraw/zinc/83/35/97/486833597.db2.gz SSFLPLZDXRRXRO-UHFFFAOYSA-N 0 0 190.290 2.792 10 30 AFEERN C=C(C)CN(CC)C(=O)C1=CCCC1 675437275 486836901 /nfs/dbraw/zinc/83/69/01/486836901.db2.gz GJNUXKJOLFZSDW-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=CCCCN(C)C(=O)C1=CCCC1 675456272 486837582 /nfs/dbraw/zinc/83/75/82/486837582.db2.gz UGWNTBIBVADMDN-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=C(C)CN(CC(F)F)C(C)C 676041125 486853363 /nfs/dbraw/zinc/85/33/63/486853363.db2.gz BFKXGXHOABELPL-UHFFFAOYSA-N 0 0 177.238 2.538 10 30 AFEERN C=CCCN1CCc2cccc(F)c21 676085287 486855653 /nfs/dbraw/zinc/85/56/53/486855653.db2.gz GJSSRVUAJUONGY-UHFFFAOYSA-N 0 0 191.249 2.764 10 30 AFEERN C=CCN(C)C(=O)CC1(C)CCCC1 676539122 486864078 /nfs/dbraw/zinc/86/40/78/486864078.db2.gz PVRNFLLDXKMUIG-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCOCCSc1ccccc1 86330078 486878002 /nfs/dbraw/zinc/87/80/02/486878002.db2.gz BNYHCNUSHMWCEA-UHFFFAOYSA-N 0 0 194.299 2.981 10 30 AFEERN C=CCCC(=O)NCCC1=CCCC1 677057857 486878582 /nfs/dbraw/zinc/87/85/82/486878582.db2.gz HZUIXGSMVHGLNW-UHFFFAOYSA-N 0 0 193.290 2.569 10 30 AFEERN C=CCN(C)c1ccccc1OCC 677269991 486882094 /nfs/dbraw/zinc/88/20/94/486882094.db2.gz BYBSPCAKOIIGRU-UHFFFAOYSA-N 0 0 191.274 2.708 10 30 AFEERN C=CCCC(=O)N1[C@@H](C)CC[C@@H]1CC 678485744 486937283 /nfs/dbraw/zinc/93/72/83/486937283.db2.gz GWNCIPQRMBCJAI-QWRGUYRKSA-N 0 0 195.306 2.742 10 30 AFEERN C=CCCC(=O)N1[C@@H](CC)CC[C@H]1C 678485743 486937313 /nfs/dbraw/zinc/93/73/13/486937313.db2.gz GWNCIPQRMBCJAI-MNOVXSKESA-N 0 0 195.306 2.742 10 30 AFEERN C=C(C)Cn1nc(C)c(CC)c1C 678480583 486937476 /nfs/dbraw/zinc/93/74/76/486937476.db2.gz FRZDNPNUDBJTIB-UHFFFAOYSA-N 0 0 178.279 2.638 10 30 AFEERN C=CCCC(=O)N1[C@@H](C)CC[C@H]1CC 678485745 486937713 /nfs/dbraw/zinc/93/77/13/486937713.db2.gz GWNCIPQRMBCJAI-WDEREUQCSA-N 0 0 195.306 2.742 10 30 AFEERN C=CCCC(=O)N1[C@H](C)CC[C@H]1CC 678485741 486937720 /nfs/dbraw/zinc/93/77/20/486937720.db2.gz GWNCIPQRMBCJAI-GHMZBOCLSA-N 0 0 195.306 2.742 10 30 AFEERN C=CCN(C(=O)CCCCC)C1CC1 678499439 486938280 /nfs/dbraw/zinc/93/82/80/486938280.db2.gz GFSYXQKEQAWEAN-UHFFFAOYSA-N 0 0 195.306 2.744 10 30 AFEERN C=C(CC)COc1nc(C(C)C)no1 678610694 486940855 /nfs/dbraw/zinc/94/08/55/486940855.db2.gz AAPWBBIWRAYVOZ-UHFFFAOYSA-N 0 0 196.250 2.538 10 30 AFEERN CC(C)C(C)(C)CS 144698520 486950229 /nfs/dbraw/zinc/95/02/29/486950229.db2.gz DUVYZWGTAFMZBI-UHFFFAOYSA-N 0 0 132.272 2.598 10 30 AFEERN C=C(C)CN(C)[C@H](C)c1ncc(C)o1 679217351 486953072 /nfs/dbraw/zinc/95/30/72/486953072.db2.gz AVQPCRPPXRSSAQ-SNVBAGLBSA-N 0 0 194.278 2.552 10 30 AFEERN C=C(C)CN(C)C(=O)C1(CCC)CC1 679204446 486953304 /nfs/dbraw/zinc/95/33/04/486953304.db2.gz GCFTWUQLZXEHKW-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCC1(C(=O)OC)CCCC1 146853740 486953307 /nfs/dbraw/zinc/95/33/07/486953307.db2.gz GWQISQAMABBMHW-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=C(C)CN(C)C(=O)CCC1CCC1 679204404 486953360 /nfs/dbraw/zinc/95/33/60/486953360.db2.gz COITUFJZTDSFBA-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)CN(C)C(=O)C[C@H](C)CCC 679205240 486953370 /nfs/dbraw/zinc/95/33/70/486953370.db2.gz FFMWQZYVZRIFNH-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)CN(C)C(=O)CC1CCCC1 679205278 486953406 /nfs/dbraw/zinc/95/34/06/486953406.db2.gz FUTSAVUGDCIHRP-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)CN(C)C(=O)C[C@@H](C)CCC 679205241 486953417 /nfs/dbraw/zinc/95/34/17/486953417.db2.gz FFMWQZYVZRIFNH-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)CN(C)C(=O)[C@@H](C)C(C)(C)C 679204445 486953496 /nfs/dbraw/zinc/95/34/96/486953496.db2.gz GBJZRKJHIZQEDY-SNVBAGLBSA-N 0 0 197.322 2.703 10 30 AFEERN C=C(C)CN(C)[C@@H](C)c1ncc(C)o1 679217350 486953487 /nfs/dbraw/zinc/95/34/87/486953487.db2.gz AVQPCRPPXRSSAQ-JTQLQIEISA-N 0 0 194.278 2.552 10 30 AFEERN C=C(C)CN(C)C(=O)[C@H](C)C(C)(C)C 679204444 486953574 /nfs/dbraw/zinc/95/35/74/486953574.db2.gz GBJZRKJHIZQEDY-JTQLQIEISA-N 0 0 197.322 2.703 10 30 AFEERN C=C(C)c1ccc2c(c1)nc(C)n2C 148416182 486959326 /nfs/dbraw/zinc/95/93/26/486959326.db2.gz PKRYHIJOXOHZEA-UHFFFAOYSA-N 0 0 186.258 2.915 10 30 AFEERN C=C(C)c1cccc2c1CCC2=O 149311255 486960188 /nfs/dbraw/zinc/96/01/88/486960188.db2.gz QOCGXQGOPLQGEW-UHFFFAOYSA-N 0 0 172.227 2.849 10 30 AFEERN C=CCCC[C@H](C)NC(=O)C1=CCC1 679497543 486964719 /nfs/dbraw/zinc/96/47/19/486964719.db2.gz OJIABIKAYDKPJH-JTQLQIEISA-N 0 0 193.290 2.568 10 30 AFEERN C=CCCC[C@@H](C)NC(=O)C1=CCC1 679497544 486964749 /nfs/dbraw/zinc/96/47/49/486964749.db2.gz OJIABIKAYDKPJH-SNVBAGLBSA-N 0 0 193.290 2.568 10 30 AFEERN C=CCN(C(=O)C(C)(C)CC)C1CC1 680397981 486983719 /nfs/dbraw/zinc/98/37/19/486983719.db2.gz GAFQBDZABAMUAL-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(CC)COc1cnn(C(C)C)c1 162102918 486980708 /nfs/dbraw/zinc/98/07/08/486980708.db2.gz ZCPGOKYAFXLRKY-UHFFFAOYSA-N 0 0 194.278 2.809 10 30 AFEERN C=CCCCOc1cnn(C(C)C)c1 162104113 486982873 /nfs/dbraw/zinc/98/28/73/486982873.db2.gz AKIKXLJHJUAIJR-UHFFFAOYSA-N 0 0 194.278 2.809 10 30 AFEERN C=CCCC(=O)N(CC)CCC1CC1 680629293 486990609 /nfs/dbraw/zinc/99/06/09/486990609.db2.gz FKDYVQITRZOBIG-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCc1nc([C@H](C)C2CC2)no1 680791261 486993209 /nfs/dbraw/zinc/99/32/09/486993209.db2.gz LYKLDJDSNMXBAF-MRVPVSSYSA-N 0 0 192.262 2.702 10 30 AFEERN C=CCCc1nc([C@@H](C)C2CC2)no1 680791262 486993459 /nfs/dbraw/zinc/99/34/59/486993459.db2.gz LYKLDJDSNMXBAF-QMMMGPOBSA-N 0 0 192.262 2.702 10 30 AFEERN C=C(C)CN1CCc2c(F)cccc21 680864133 486995127 /nfs/dbraw/zinc/99/51/27/486995127.db2.gz AYUXORTYKHTQDW-UHFFFAOYSA-N 0 0 191.249 2.764 10 30 AFEERN C=CCOc1cccc2c1CCC2 166811026 486996591 /nfs/dbraw/zinc/99/65/91/486996591.db2.gz HCLUDDUOXLFNRO-UHFFFAOYSA-N 0 0 174.243 2.740 10 30 AFEERN CC#CCCN(C)c1cccc(C)c1 680883220 486997175 /nfs/dbraw/zinc/99/71/75/486997175.db2.gz BBNPJLHPZLAGBA-UHFFFAOYSA-N 0 0 187.286 2.845 10 30 AFEERN CC#CCCN1CCc2cccc(C)c21 680885130 486999070 /nfs/dbraw/zinc/99/90/70/486999070.db2.gz HTERLLRHRPSOBT-UHFFFAOYSA-N 0 0 199.297 2.771 10 30 AFEERN CC#CCCN1CCc2ccc(C)cc21 680884861 486999360 /nfs/dbraw/zinc/99/93/60/486999360.db2.gz ASKRTBWXSJVCMP-UHFFFAOYSA-N 0 0 199.297 2.771 10 30 AFEERN C=CC[C@H](C)NC(=O)[C@H](C)CC(=C)C 680998411 487002689 /nfs/dbraw/zinc/00/26/89/487002689.db2.gz FKOHNDIRVYYSMJ-MNOVXSKESA-N 0 0 195.306 2.670 10 30 AFEERN C=C(C)CN(C)C(=O)[C@@H](C)CC(C)C 680902915 487001157 /nfs/dbraw/zinc/00/11/57/487001157.db2.gz DJQTWPCBSXCLDO-NSHDSACASA-N 0 0 197.322 2.703 10 30 AFEERN C=CC[C@@H](C)NC(=O)[C@H](C)CC(C)C 680929036 487001220 /nfs/dbraw/zinc/00/12/20/487001220.db2.gz LZVWMKSRCYJLFG-GHMZBOCLSA-N 0 0 197.322 2.749 10 30 AFEERN C=CC[C@H](C)NC(=O)[C@@H](C)CC(C)C 680929038 487001240 /nfs/dbraw/zinc/00/12/40/487001240.db2.gz LZVWMKSRCYJLFG-QWRGUYRKSA-N 0 0 197.322 2.749 10 30 AFEERN C=CC[C@@H](C)NC(=O)[C@@H](C)CC(C)C 680929039 487001243 /nfs/dbraw/zinc/00/12/43/487001243.db2.gz LZVWMKSRCYJLFG-WDEREUQCSA-N 0 0 197.322 2.749 10 30 AFEERN C=C(C)CN(C)C(=O)[C@H](C)CC(C)C 680902914 487001330 /nfs/dbraw/zinc/00/13/30/487001330.db2.gz DJQTWPCBSXCLDO-LLVKDONJSA-N 0 0 197.322 2.703 10 30 AFEERN C=CC[C@H](C)NC(=O)[C@H](C)CC(C)C 680929037 487001415 /nfs/dbraw/zinc/00/14/15/487001415.db2.gz LZVWMKSRCYJLFG-MNOVXSKESA-N 0 0 197.322 2.749 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NCCC(C)C 680988964 487001885 /nfs/dbraw/zinc/00/18/85/487001885.db2.gz NMEHBFJBIDALCD-NSHDSACASA-N 0 0 197.322 2.751 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NCCCCC 680989601 487002076 /nfs/dbraw/zinc/00/20/76/487002076.db2.gz YYWVEBBXLWTAEW-NSHDSACASA-N 0 0 197.322 2.895 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NC(CC)CC 680989582 487002144 /nfs/dbraw/zinc/00/21/44/487002144.db2.gz XNBHPAUXOCCYOG-JTQLQIEISA-N 0 0 197.322 2.894 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NCCCCC 680989600 487002241 /nfs/dbraw/zinc/00/22/41/487002241.db2.gz YYWVEBBXLWTAEW-LLVKDONJSA-N 0 0 197.322 2.895 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCC 680988362 487002248 /nfs/dbraw/zinc/00/22/48/487002248.db2.gz BZQXKZTXSKRWJS-QWRGUYRKSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCC 680988361 487002258 /nfs/dbraw/zinc/00/22/58/487002258.db2.gz BZQXKZTXSKRWJS-MNOVXSKESA-N 0 0 197.322 2.894 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NC(C)(C)CC 680989005 487002262 /nfs/dbraw/zinc/00/22/62/487002262.db2.gz PARCVOLOKQFPBW-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCC 680988359 487002322 /nfs/dbraw/zinc/00/23/22/487002322.db2.gz BZQXKZTXSKRWJS-GHMZBOCLSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NC(C)(C)CC 680989003 487002326 /nfs/dbraw/zinc/00/23/26/487002326.db2.gz PARCVOLOKQFPBW-JTQLQIEISA-N 0 0 197.322 2.894 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NCCC(C)C 680988963 487002329 /nfs/dbraw/zinc/00/23/29/487002329.db2.gz NMEHBFJBIDALCD-LLVKDONJSA-N 0 0 197.322 2.751 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NC1CCCC1 680988714 487002355 /nfs/dbraw/zinc/00/23/55/487002355.db2.gz IRFNABUZOKWPDI-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NC1CCCC1 680988715 487002360 /nfs/dbraw/zinc/00/23/60/487002360.db2.gz IRFNABUZOKWPDI-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NC(CC)CC 680989583 487002362 /nfs/dbraw/zinc/00/23/62/487002362.db2.gz XNBHPAUXOCCYOG-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCC 680988364 487002425 /nfs/dbraw/zinc/00/24/25/487002425.db2.gz BZQXKZTXSKRWJS-WDEREUQCSA-N 0 0 197.322 2.894 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)CC 680996586 487002652 /nfs/dbraw/zinc/00/26/52/487002652.db2.gz DVMMXMLJNPONNF-WDEREUQCSA-N 0 0 197.322 2.846 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)CC 680996583 487002720 /nfs/dbraw/zinc/00/27/20/487002720.db2.gz DVMMXMLJNPONNF-GHMZBOCLSA-N 0 0 197.322 2.846 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N(C)C1CCC1 680998983 487002726 /nfs/dbraw/zinc/00/27/26/487002726.db2.gz DOMKNOKIGNHCHH-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NCC(C)(C)C 680996565 487002782 /nfs/dbraw/zinc/00/27/82/487002782.db2.gz CLVRPXFZGDPKBP-SNVBAGLBSA-N 0 0 197.322 2.751 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)CC 680996584 487002787 /nfs/dbraw/zinc/00/27/87/487002787.db2.gz DVMMXMLJNPONNF-MNOVXSKESA-N 0 0 197.322 2.846 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NCC(C)(C)C 680996564 487002803 /nfs/dbraw/zinc/00/28/03/487002803.db2.gz CLVRPXFZGDPKBP-JTQLQIEISA-N 0 0 197.322 2.751 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N(C)CC(C)C 680996636 487002808 /nfs/dbraw/zinc/00/28/08/487002808.db2.gz IFSKXYDYCWTEQW-NSHDSACASA-N 0 0 197.322 2.703 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N(C)[C@@H](C)CC 680996585 487002815 /nfs/dbraw/zinc/00/28/15/487002815.db2.gz DVMMXMLJNPONNF-QWRGUYRKSA-N 0 0 197.322 2.846 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N(C)CCCC 680992134 487002846 /nfs/dbraw/zinc/00/28/46/487002846.db2.gz DAOFZECNIPDZDN-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=CC[C@@H](C)NC(=O)[C@@H](C)CC(=C)C 680998413 487002860 /nfs/dbraw/zinc/00/28/60/487002860.db2.gz FKOHNDIRVYYSMJ-WDEREUQCSA-N 0 0 195.306 2.670 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NCC1CCC1 680995564 487002953 /nfs/dbraw/zinc/00/29/53/487002953.db2.gz TYEBPUFCUBJZCW-JTQLQIEISA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N(C)CC(C)C 680996635 487002985 /nfs/dbraw/zinc/00/29/85/487002985.db2.gz IFSKXYDYCWTEQW-LLVKDONJSA-N 0 0 197.322 2.703 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N(CC)C1CC1 680995145 487002991 /nfs/dbraw/zinc/00/29/91/487002991.db2.gz CWCKCXTXMBAWTK-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NCC1CCC1 680995565 487003015 /nfs/dbraw/zinc/00/30/15/487003015.db2.gz TYEBPUFCUBJZCW-SNVBAGLBSA-N 0 0 195.306 2.505 10 30 AFEERN C=CC[C@H](C)NC(=O)[C@@H](C)CC(=C)C 680998412 487003073 /nfs/dbraw/zinc/00/30/73/487003073.db2.gz FKOHNDIRVYYSMJ-QWRGUYRKSA-N 0 0 195.306 2.670 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N(CC)CCC 680996545 487003104 /nfs/dbraw/zinc/00/31/04/487003104.db2.gz BNYLGPFFPSGZNU-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N(C)CCCC 680992137 487003168 /nfs/dbraw/zinc/00/31/68/487003168.db2.gz DAOFZECNIPDZDN-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N(CC)C1CC1 680995142 487003241 /nfs/dbraw/zinc/00/32/41/487003241.db2.gz CWCKCXTXMBAWTK-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@@H](C)NC(=O)[C@H](C)CC(=C)C 680998410 487003257 /nfs/dbraw/zinc/00/32/57/487003257.db2.gz FKOHNDIRVYYSMJ-GHMZBOCLSA-N 0 0 195.306 2.670 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N(CC)CCC 680996544 487003273 /nfs/dbraw/zinc/00/32/73/487003273.db2.gz BNYLGPFFPSGZNU-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N(C)C1CCC1 680998984 487003288 /nfs/dbraw/zinc/00/32/88/487003288.db2.gz DOMKNOKIGNHCHH-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N(C)CC(=C)C 681001240 487003442 /nfs/dbraw/zinc/00/34/42/487003442.db2.gz DHKFFYOFYLRQTL-LLVKDONJSA-N 0 0 195.306 2.623 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NCC1(C)CC1 681000258 487003456 /nfs/dbraw/zinc/00/34/56/487003456.db2.gz LORLRWCSLCEQKJ-SNVBAGLBSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NC1CC(C)C1 681000486 487003462 /nfs/dbraw/zinc/00/34/62/487003462.db2.gz PGDSZTVRCRCEKW-YVNMAJEFSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NCC1(C)CC1 681000257 487003515 /nfs/dbraw/zinc/00/35/15/487003515.db2.gz LORLRWCSLCEQKJ-JTQLQIEISA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N(C)CC(=C)C 681001241 487003530 /nfs/dbraw/zinc/00/35/30/487003530.db2.gz DHKFFYOFYLRQTL-NSHDSACASA-N 0 0 195.306 2.623 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NCCC1CC1 680999146 487003561 /nfs/dbraw/zinc/00/35/61/487003561.db2.gz KUHQNUZECDEDMK-SNVBAGLBSA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NC1CC(C)C1 681000485 487003657 /nfs/dbraw/zinc/00/36/57/487003657.db2.gz PGDSZTVRCRCEKW-HSOILSAZSA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NCCC1CC1 680999145 487003693 /nfs/dbraw/zinc/00/36/93/487003693.db2.gz KUHQNUZECDEDMK-JTQLQIEISA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NC1(C)CCC1 681002442 487003731 /nfs/dbraw/zinc/00/37/31/487003731.db2.gz DYCSBNYMODCEPV-SNVBAGLBSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NC1(C)CCC1 681002441 487003854 /nfs/dbraw/zinc/00/38/54/487003854.db2.gz DYCSBNYMODCEPV-JTQLQIEISA-N 0 0 195.306 2.648 10 30 AFEERN C=CCCC[C@@H](C)NC(=O)[C@H]1C[C@@H]1C 681106102 487010106 /nfs/dbraw/zinc/01/01/06/487010106.db2.gz JATCAOKHTPLBOA-AXFHLTTASA-N 0 0 195.306 2.503 10 30 AFEERN CC#CCCOCc1ccccc1 196893638 487012917 /nfs/dbraw/zinc/01/29/17/487012917.db2.gz MESQJSQJNVYNHA-UHFFFAOYSA-N 0 0 174.243 2.617 10 30 AFEERN C=CCCCN(C)c1cccc(C)n1 681208494 487013398 /nfs/dbraw/zinc/01/33/98/487013398.db2.gz AMEMXECVJJYSNA-UHFFFAOYSA-N 0 0 190.290 2.792 10 30 AFEERN COc1cccc(C#C/C=C\Cl)c1 198406974 487014728 /nfs/dbraw/zinc/01/47/28/487014728.db2.gz MIJWDYWWBVNITJ-BAQGIRSFSA-N 0 0 192.645 2.799 10 30 AFEERN CC1=NC2=NC=CC2=C(N=[N+]=[N-])C1 199679295 487015744 /nfs/dbraw/zinc/01/57/44/487015744.db2.gz FRSAYEYAHWWVIM-UHFFFAOYSA-N 0 0 173.179 2.813 10 30 in-vitro AFEERN C=C[C@@H](C)NC(=O)[C@@H](C)CC(C)(C)C 681237394 487015778 /nfs/dbraw/zinc/01/57/78/487015778.db2.gz HUSPLZBQBZWXPX-VHSXEESVSA-N 0 0 197.322 2.749 10 30 AFEERN C=C[C@H](C)NC(=O)[C@H](C)CC(C)(C)C 681237397 487015805 /nfs/dbraw/zinc/01/58/05/487015805.db2.gz HUSPLZBQBZWXPX-ZJUUUORDSA-N 0 0 197.322 2.749 10 30 AFEERN C=C[C@@H](C)NC(=O)[C@H](C)CC(C)(C)C 681237391 487015857 /nfs/dbraw/zinc/01/58/57/487015857.db2.gz HUSPLZBQBZWXPX-NXEZZACHSA-N 0 0 197.322 2.749 10 30 AFEERN C=C[C@H](C)NC(=O)[C@@H](C)CC(C)(C)C 681237393 487015903 /nfs/dbraw/zinc/01/59/03/487015903.db2.gz HUSPLZBQBZWXPX-UWVGGRQHSA-N 0 0 197.322 2.749 10 30 AFEERN C=CCCC(=O)N1CC[C@H](C)[C@@H]1CC 681260977 487016565 /nfs/dbraw/zinc/01/65/65/487016565.db2.gz BKSIHCUQGRLMLS-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CC[C@H](C)[C@H]1CC 681260978 487016571 /nfs/dbraw/zinc/01/65/71/487016571.db2.gz BKSIHCUQGRLMLS-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CC[C@@H](C)[C@@H]1CC 681260976 487016678 /nfs/dbraw/zinc/01/66/78/487016678.db2.gz BKSIHCUQGRLMLS-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CC[C@@H](C)[C@H]1CC 681260975 487016812 /nfs/dbraw/zinc/01/68/12/487016812.db2.gz BKSIHCUQGRLMLS-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)c1ccc2c(c1)CCC2=O 204381830 487019480 /nfs/dbraw/zinc/01/94/80/487019480.db2.gz HKCWDXCHBILNDE-UHFFFAOYSA-N 0 0 172.227 2.849 10 30 AFEERN C=C(C)CCOc1nc(C(C)C)no1 681371136 487019716 /nfs/dbraw/zinc/01/97/16/487019716.db2.gz GSBZPRFBYBHOKM-UHFFFAOYSA-N 0 0 196.250 2.538 10 30 AFEERN C=CCN(C)C(=O)C[C@@H](CC)C(C)C 681674166 487029161 /nfs/dbraw/zinc/02/91/61/487029161.db2.gz BVKPHGWWARVXBA-LLVKDONJSA-N 0 0 197.322 2.703 10 30 AFEERN C=CCN(C)C(=O)C1(CCC)CCC1 681674024 487029214 /nfs/dbraw/zinc/02/92/14/487029214.db2.gz FQRFGMPMJFFDRF-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCN(C)C(=O)C(C)(C)CC(C)C 681673979 487029147 /nfs/dbraw/zinc/02/91/47/487029147.db2.gz DKNGPBUYDYSETR-UHFFFAOYSA-N 0 0 197.322 2.703 10 30 AFEERN C=CCN(C)C(=O)C(CCC)CCC 681674203 487029232 /nfs/dbraw/zinc/02/92/32/487029232.db2.gz HFXDAENRGHHAPU-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCN(C)C(=O)C[C@H](CC)C(C)C 681674167 487029262 /nfs/dbraw/zinc/02/92/62/487029262.db2.gz BVKPHGWWARVXBA-NSHDSACASA-N 0 0 197.322 2.703 10 30 AFEERN C=CCN(C)C(=O)[C@@H](CCC)C(C)C 681673955 487029267 /nfs/dbraw/zinc/02/92/67/487029267.db2.gz BXGRIZCPBBREFN-NSHDSACASA-N 0 0 197.322 2.703 10 30 AFEERN C=CCN(C)C(=O)[C@H](CCC)C(C)C 681673954 487029277 /nfs/dbraw/zinc/02/92/77/487029277.db2.gz BXGRIZCPBBREFN-LLVKDONJSA-N 0 0 197.322 2.703 10 30 AFEERN C=C(C)CNC(=O)[C@@H](C)CC(C)(C)C 681674766 487030107 /nfs/dbraw/zinc/03/01/07/487030107.db2.gz PTJFPGLNCQOVEG-JTQLQIEISA-N 0 0 197.322 2.751 10 30 AFEERN C=CCN(C)C(=O)[C@@H](C)CC(C)(C)C 681674691 487030227 /nfs/dbraw/zinc/03/02/27/487030227.db2.gz RLDKJVAXDWZQON-JTQLQIEISA-N 0 0 197.322 2.703 10 30 AFEERN C=CCN(C)C(=O)[C@H](C)CC(C)(C)C 681674692 487030232 /nfs/dbraw/zinc/03/02/32/487030232.db2.gz RLDKJVAXDWZQON-SNVBAGLBSA-N 0 0 197.322 2.703 10 30 AFEERN C=C(C)CNC(=O)[C@H](C)CC(C)(C)C 681674768 487030274 /nfs/dbraw/zinc/03/02/74/487030274.db2.gz PTJFPGLNCQOVEG-SNVBAGLBSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCN(C)C(=O)CC1CCCCC1 681674292 487030296 /nfs/dbraw/zinc/03/02/96/487030296.db2.gz IAUABAXSKDDDER-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCN(C)Cc1c(F)cccc1F 681695634 487030685 /nfs/dbraw/zinc/03/06/85/487030685.db2.gz GUQQBFASLFITEF-UHFFFAOYSA-N 0 0 197.228 2.583 10 30 AFEERN C=CCN(C)Cc1cccc(F)c1F 681696467 487032684 /nfs/dbraw/zinc/03/26/84/487032684.db2.gz BJVJSEAQRGFTJU-UHFFFAOYSA-N 0 0 197.228 2.583 10 30 AFEERN C=C(C)CN(C)C(=O)C(C)(C)C(C)C 682206124 487051054 /nfs/dbraw/zinc/05/10/54/487051054.db2.gz DPQGJHAQUWBAGZ-UHFFFAOYSA-N 0 0 197.322 2.703 10 30 AFEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CC1(C)C 682359207 487053425 /nfs/dbraw/zinc/05/34/25/487053425.db2.gz ZELPFAWYGCRNMI-BXKDBHETSA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1CC1(C)C 682359208 487053448 /nfs/dbraw/zinc/05/34/48/487053448.db2.gz ZELPFAWYGCRNMI-SKDRFNHKSA-N 0 0 195.306 2.503 10 30 AFEERN C=C[C@](C)(CC)C(=O)N(C)CC(=C)C 682362454 487053686 /nfs/dbraw/zinc/05/36/86/487053686.db2.gz FMTPLYGCFLTGRH-GFCCVEGCSA-N 0 0 195.306 2.623 10 30 AFEERN C=C[C@@](C)(CC)C(=O)N(C)CC(=C)C 682362455 487054567 /nfs/dbraw/zinc/05/45/67/487054567.db2.gz FMTPLYGCFLTGRH-LBPRGKRZSA-N 0 0 195.306 2.623 10 30 AFEERN C=CCCN(C)C(=O)CCC1CCC1 682427222 487056633 /nfs/dbraw/zinc/05/66/33/487056633.db2.gz HPTMCJOKXRICFC-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCN(C)C(=O)[C@@H](C)[C@H](C)CC 682427041 487056646 /nfs/dbraw/zinc/05/66/46/487056646.db2.gz CDTRHSZZRVUPFO-MNOVXSKESA-N 0 0 197.322 2.703 10 30 AFEERN C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C 682425701 487056657 /nfs/dbraw/zinc/05/66/57/487056657.db2.gz JATCAOKHTPLBOA-GMTAPVOTSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCCN(C)C(=O)C[C@H](C)CCC 682426999 487056735 /nfs/dbraw/zinc/05/67/35/487056735.db2.gz BOSKHKYPAAYRNF-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCN(C)C(=O)[C@H](C)[C@@H](C)CC 682427043 487056752 /nfs/dbraw/zinc/05/67/52/487056752.db2.gz CDTRHSZZRVUPFO-WDEREUQCSA-N 0 0 197.322 2.703 10 30 AFEERN C=CCCN(C)C(=O)[C@@H](C)[C@@H](C)CC 682427042 487056765 /nfs/dbraw/zinc/05/67/65/487056765.db2.gz CDTRHSZZRVUPFO-QWRGUYRKSA-N 0 0 197.322 2.703 10 30 AFEERN C=CCCN(C)C(=O)[C@H](C)[C@H](C)CC 682427038 487056893 /nfs/dbraw/zinc/05/68/93/487056893.db2.gz CDTRHSZZRVUPFO-GHMZBOCLSA-N 0 0 197.322 2.703 10 30 AFEERN C=CCCN(C)C(=O)C[C@@H](C)CCC 682427000 487056910 /nfs/dbraw/zinc/05/69/10/487056910.db2.gz BOSKHKYPAAYRNF-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCN(C)C(=O)[C@@H](C)CC(=C)C 682428613 487057475 /nfs/dbraw/zinc/05/74/75/487057475.db2.gz GPNODVHBGFBZHA-NSHDSACASA-N 0 0 195.306 2.623 10 30 AFEERN C=CCCN(C)C(=O)[C@H](C)CC(C)C 682427368 487057611 /nfs/dbraw/zinc/05/76/11/487057611.db2.gz OPKFHSHSRGPGIX-LLVKDONJSA-N 0 0 197.322 2.703 10 30 AFEERN C=CCCN(C)C(=O)[C@@H](C)CC(C)C 682427369 487057646 /nfs/dbraw/zinc/05/76/46/487057646.db2.gz OPKFHSHSRGPGIX-NSHDSACASA-N 0 0 197.322 2.703 10 30 AFEERN C=CCCN(C)C(=O)[C@H](C)CC(=C)C 682428612 487057833 /nfs/dbraw/zinc/05/78/33/487057833.db2.gz GPNODVHBGFBZHA-LLVKDONJSA-N 0 0 195.306 2.623 10 30 AFEERN CC#CCN1CCC=Cc2ccccc21 682435948 487059315 /nfs/dbraw/zinc/05/93/15/487059315.db2.gz GSXDWJAAYLWSFD-UHFFFAOYSA-N 0 0 197.281 2.933 10 30 AFEERN C=CCCN(C)C(=O)C1=CCCCC1 682438398 487060100 /nfs/dbraw/zinc/06/01/00/487060100.db2.gz CVRIFQBOBGMODJ-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=C(C)CCOc1cnn(C(C)C)c1 229098464 487063848 /nfs/dbraw/zinc/06/38/48/487063848.db2.gz LFSWTQUVLPOBBN-UHFFFAOYSA-N 0 0 194.278 2.809 10 30 AFEERN C=CCCOc1ccc(C)nc1CC 682706524 487067422 /nfs/dbraw/zinc/06/74/22/487067422.db2.gz ARTXMLPXCVNMQH-UHFFFAOYSA-N 0 0 191.274 2.907 10 30 AFEERN C=CCC1(C(=O)N(CC)CC)CCC1 682844800 487072613 /nfs/dbraw/zinc/07/26/13/487072613.db2.gz GNSYBKDXNPRABZ-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCC1(C(=O)N(C)CCC)CCC1 682886672 487073602 /nfs/dbraw/zinc/07/36/02/487073602.db2.gz AVHRNIDGNNUZDJ-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCCN(C)C(=O)C[C@@H](C)CC 682904495 487074071 /nfs/dbraw/zinc/07/40/71/487074071.db2.gz UDHIHNOAIKNNLB-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCN(C)C(=O)C[C@H](C)CC 682904494 487074162 /nfs/dbraw/zinc/07/41/62/487074162.db2.gz UDHIHNOAIKNNLB-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NCC=C(C)C 682953352 487075964 /nfs/dbraw/zinc/07/59/64/487075964.db2.gz AXMKJNBSBNNEJK-NSHDSACASA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NCC=C(C)C 682953351 487075980 /nfs/dbraw/zinc/07/59/80/487075980.db2.gz AXMKJNBSBNNEJK-LLVKDONJSA-N 0 0 195.306 2.671 10 30 AFEERN C=CCCCN(C)C(=O)CC1(C)CC1 683203901 487087010 /nfs/dbraw/zinc/08/70/10/487087010.db2.gz XCNJGSDNXJRXTL-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C(C)CNC(=O)CC(C)(C)CCC 683761857 487096661 /nfs/dbraw/zinc/09/66/61/487096661.db2.gz OBONLJUMCRABBQ-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCN(C)C(=O)CC(C)(C)CCC 683758693 487096910 /nfs/dbraw/zinc/09/69/10/487096910.db2.gz HVLZMNSJUQYNTI-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=C[C@@H](C)NC(=O)CC(C)(C)CCC 683746243 487097042 /nfs/dbraw/zinc/09/70/42/487097042.db2.gz CHUGNUATAVZOLG-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=C[C@H](C)NC(=O)CC(C)(C)CCC 683746242 487097058 /nfs/dbraw/zinc/09/70/58/487097058.db2.gz CHUGNUATAVZOLG-JTQLQIEISA-N 0 0 197.322 2.894 10 30 AFEERN C=CCCC(=O)N(C)C1(C)CCCC1 683812712 487099160 /nfs/dbraw/zinc/09/91/60/487099160.db2.gz LEYXHOKNTQQXTR-UHFFFAOYSA-N 0 0 195.306 2.744 10 30 AFEERN C=CCCCNC(=O)CC(CC)CC 684127288 487108156 /nfs/dbraw/zinc/10/81/56/487108156.db2.gz IPEMXUDIGVNYMQ-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCNC(=O)C[C@@H](C)CCC 684127076 487108169 /nfs/dbraw/zinc/10/81/69/487108169.db2.gz DBZJETWRWDYPNA-NSHDSACASA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCNC(=O)CC1CCCC1 684127267 487108463 /nfs/dbraw/zinc/10/84/63/487108463.db2.gz HHZVYTRPENLEOW-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCNC(=O)[C@H](C)C(C)(C)C 684154927 487110135 /nfs/dbraw/zinc/11/01/35/487110135.db2.gz PQMCXYLWYOVTJF-JTQLQIEISA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCNC(=O)[C@H](C)CC(C)C 684127007 487108645 /nfs/dbraw/zinc/10/86/45/487108645.db2.gz ACIZVXMJGPIGDL-LLVKDONJSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCNC(=O)[C@@H](C)CC(C)C 684127008 487108691 /nfs/dbraw/zinc/10/86/91/487108691.db2.gz ACIZVXMJGPIGDL-NSHDSACASA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCNC(=O)[C@@H](C)CC(=C)C 684127098 487108765 /nfs/dbraw/zinc/10/87/65/487108765.db2.gz DOOOHBAFMOHANZ-NSHDSACASA-N 0 0 195.306 2.671 10 30 AFEERN C=CCCCNC(=O)C[C@H](C)CCC 684127075 487108771 /nfs/dbraw/zinc/10/87/71/487108771.db2.gz DBZJETWRWDYPNA-LLVKDONJSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCNC(=O)[C@H](C)CC(=C)C 684127097 487108824 /nfs/dbraw/zinc/10/88/24/487108824.db2.gz DOOOHBAFMOHANZ-LLVKDONJSA-N 0 0 195.306 2.671 10 30 AFEERN C=CCCCNC(=O)[C@@H](C)[C@H](C)CC 684127535 487109117 /nfs/dbraw/zinc/10/91/17/487109117.db2.gz NWKGADXNJKWVFH-MNOVXSKESA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCNC(=O)[C@@H]1CC[C@@H](C)C1 684127790 487109139 /nfs/dbraw/zinc/10/91/39/487109139.db2.gz QRWMCLPNRDUMCW-GHMZBOCLSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCNC(=O)[C@H]1CC[C@@H](C)C1 684127791 487109166 /nfs/dbraw/zinc/10/91/66/487109166.db2.gz QRWMCLPNRDUMCW-MNOVXSKESA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCNC(=O)CC(C)(C)CC 684129856 487109329 /nfs/dbraw/zinc/10/93/29/487109329.db2.gz MJHPMKVSSSWHDL-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCNC(=O)CCC1CCC1 684127958 487109252 /nfs/dbraw/zinc/10/92/52/487109252.db2.gz SJPFUGWERLFUJD-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCNC(=O)[C@H](C)[C@H](C)CC 684127533 487109314 /nfs/dbraw/zinc/10/93/14/487109314.db2.gz NWKGADXNJKWVFH-GHMZBOCLSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCNC(=O)C(C)(CC)CC 684154712 487110363 /nfs/dbraw/zinc/11/03/63/487110363.db2.gz JLOWUCYRCBCMQB-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCCNC(=O)[C@@H](C)[C@@H](C)CC 684127536 487109418 /nfs/dbraw/zinc/10/94/18/487109418.db2.gz NWKGADXNJKWVFH-QWRGUYRKSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCNC(=O)[C@H]1CC[C@H](C)C1 684127792 487109512 /nfs/dbraw/zinc/10/95/12/487109512.db2.gz QRWMCLPNRDUMCW-QWRGUYRKSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCNC(=O)C1(CCC)CC1 684154593 487109528 /nfs/dbraw/zinc/10/95/28/487109528.db2.gz HVSVATXWRZVCMD-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCNC(=O)[C@H](C)[C@@H](C)CC 684127537 487109572 /nfs/dbraw/zinc/10/95/72/487109572.db2.gz NWKGADXNJKWVFH-WDEREUQCSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCNC(=O)C1=CCCCC1 684128226 487109576 /nfs/dbraw/zinc/10/95/76/487109576.db2.gz WOAHFYRRUMBELL-UHFFFAOYSA-N 0 0 193.290 2.569 10 30 AFEERN C=CCCCNC(=O)[C@@H]1CC[C@H](C)C1 684127793 487109603 /nfs/dbraw/zinc/10/96/03/487109603.db2.gz QRWMCLPNRDUMCW-WDEREUQCSA-N 0 0 195.306 2.505 10 30 AFEERN N#Cc1cccc2ccc(Cl)nc12 238536663 487109765 /nfs/dbraw/zinc/10/97/65/487109765.db2.gz JHCDHLDBDYBPBQ-UHFFFAOYSA-N 0 0 188.617 2.760 10 30 in-vitro AFEERN C=CCCCNC(=O)[C@@H](C)C(C)(C)C 684154928 487109797 /nfs/dbraw/zinc/10/97/97/487109797.db2.gz PQMCXYLWYOVTJF-SNVBAGLBSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCNC(=O)C1(CC)CCC1 684155093 487109865 /nfs/dbraw/zinc/10/98/65/487109865.db2.gz PDIZDZPLYOYYKI-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCNC(=O)C1=C(C)CCC1 684161150 487109888 /nfs/dbraw/zinc/10/98/88/487109888.db2.gz KXBUKLZWGPZNPS-UHFFFAOYSA-N 0 0 193.290 2.569 10 30 AFEERN C=CCCCNC(=O)C1(C)CCCC1 684160947 487110088 /nfs/dbraw/zinc/11/00/88/487110088.db2.gz BNNRTVOOROEMQD-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCNC(=O)[C@@](C)(C=C)CC 684155828 487110068 /nfs/dbraw/zinc/11/00/68/487110068.db2.gz ZUALDEARXLETOD-LBPRGKRZSA-N 0 0 195.306 2.671 10 30 AFEERN C=CCCCNC(=O)[C@](C)(C=C)CC 684155825 487110118 /nfs/dbraw/zinc/11/01/18/487110118.db2.gz ZUALDEARXLETOD-GFCCVEGCSA-N 0 0 195.306 2.671 10 30 AFEERN C=CCCCNC(=O)C(C)(C)C(C)C 684155588 487110278 /nfs/dbraw/zinc/11/02/78/487110278.db2.gz XKKVPLMUZQILJN-UHFFFAOYSA-N 0 0 197.322 2.751 10 30 AFEERN C=CCCCNC(=O)CCC(C)(C)C 684155238 487110367 /nfs/dbraw/zinc/11/03/67/487110367.db2.gz TZWSKSWAIGJMKY-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=C[C@](C)(CC)C(=O)N1[C@H](C)C[C@H]1C 684336136 487117531 /nfs/dbraw/zinc/11/75/31/487117531.db2.gz WSQQSFNOHGEYTL-CKYFFXLPSA-N 0 0 195.306 2.598 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N1[C@@H](C)C[C@@H]1C 684336421 487117719 /nfs/dbraw/zinc/11/77/19/487117719.db2.gz XZIYMRSZPHNDSU-DCAQKATOSA-N 0 0 195.306 2.598 10 30 AFEERN C=C[C@](C)(CC)C(=O)N1[C@@H](C)C[C@@H]1C 684336137 487117739 /nfs/dbraw/zinc/11/77/39/487117739.db2.gz WSQQSFNOHGEYTL-JBLDHEPKSA-N 0 0 195.306 2.598 10 30 AFEERN C=C[C@@](C)(CC)C(=O)N1[C@@H](C)C[C@H]1C 684336139 487117747 /nfs/dbraw/zinc/11/77/47/487117747.db2.gz WSQQSFNOHGEYTL-UMNHJUIQSA-N 0 0 195.306 2.598 10 30 AFEERN C=C[C@](C)(CC)C(=O)N1[C@@H](C)C[C@H]1C 684336138 487117767 /nfs/dbraw/zinc/11/77/67/487117767.db2.gz WSQQSFNOHGEYTL-JFGNBEQYSA-N 0 0 195.306 2.598 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N1[C@@H](C)C[C@H]1C 684336422 487118014 /nfs/dbraw/zinc/11/80/14/487118014.db2.gz XZIYMRSZPHNDSU-GARJFASQSA-N 0 0 195.306 2.598 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N1[C@@H](C)C[C@H]1C 684336424 487118151 /nfs/dbraw/zinc/11/81/51/487118151.db2.gz XZIYMRSZPHNDSU-MXWKQRLJSA-N 0 0 195.306 2.598 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[C@H]1C 684336423 487118555 /nfs/dbraw/zinc/11/85/55/487118555.db2.gz XZIYMRSZPHNDSU-HBNTYKKESA-N 0 0 195.306 2.598 10 30 AFEERN C=CCN(C)C(=O)[C@@](C)(CC)CCC 684480447 487122667 /nfs/dbraw/zinc/12/26/67/487122667.db2.gz GXVLCSXXWHPUTQ-LBPRGKRZSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCN(C)C(=O)[C@](C)(CC)CCC 684480446 487123185 /nfs/dbraw/zinc/12/31/85/487123185.db2.gz GXVLCSXXWHPUTQ-GFCCVEGCSA-N 0 0 197.322 2.847 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]1CC 684802786 487133398 /nfs/dbraw/zinc/13/33/98/487133398.db2.gz MDWYTBKTJAJYMG-HBNTYKKESA-N 0 0 195.306 2.503 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]1CC 684802784 487133759 /nfs/dbraw/zinc/13/37/59/487133759.db2.gz MDWYTBKTJAJYMG-GMTAPVOTSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCCC(=O)N(CC)C(CC)CC 685259229 487143665 /nfs/dbraw/zinc/14/36/65/487143665.db2.gz GMHICKOXRPUZDY-UHFFFAOYSA-N 0 0 197.322 2.990 10 30 AFEERN C=CCNc1sccc1C(C)=O 306449704 487156491 /nfs/dbraw/zinc/15/64/91/487156491.db2.gz NBYJOWQQPCVIPH-UHFFFAOYSA-N 0 0 181.260 2.549 10 30 AFEERN CC#CCOc1cc(F)ccc1Cl 307589402 487185694 /nfs/dbraw/zinc/18/56/94/487185694.db2.gz AJPMGHKGORBMEI-UHFFFAOYSA-N 0 0 198.624 2.881 10 30 AFEERN C=CCCc1noc([C@@H]2C[C@H]2CC)n1 351131668 487232691 /nfs/dbraw/zinc/23/26/91/487232691.db2.gz QELYMLGSKZOWDQ-RKDXNWHRSA-N 0 0 192.262 2.702 10 30 AFEERN C=CCCc1noc([C@H]2CC2(C)C)n1 351128470 487232756 /nfs/dbraw/zinc/23/27/56/487232756.db2.gz ATVYRHJDRIBPOV-MRVPVSSYSA-N 0 0 192.262 2.702 10 30 AFEERN C=CCCc1noc(/C(C)=C\C)n1 351130066 487232781 /nfs/dbraw/zinc/23/27/81/487232781.db2.gz HSVRFUFQHKIHCE-YVMONPNESA-N 0 0 178.235 2.611 10 30 AFEERN C=CCCc1noc(C2(C)CCC2)n1 351129091 487233156 /nfs/dbraw/zinc/23/31/56/487233156.db2.gz DCBIXJNGTMXEAP-UHFFFAOYSA-N 0 0 192.262 2.630 10 30 AFEERN C=CCCN1CCCC[C@H]1C(F)F 388277613 487259260 /nfs/dbraw/zinc/25/92/60/487259260.db2.gz JRKPGRBPQWWCCW-VIFPVBQESA-N 0 0 189.249 2.682 10 30 AFEERN C=CCCN1CCCC[C@@H]1C(F)F 388277612 487259329 /nfs/dbraw/zinc/25/93/29/487259329.db2.gz JRKPGRBPQWWCCW-SECBINFHSA-N 0 0 189.249 2.682 10 30 AFEERN C=CCC[C@@H](C)NC1(C(F)F)CC1 388881424 487261928 /nfs/dbraw/zinc/26/19/28/487261928.db2.gz IVICUCIULXTRDP-MRVPVSSYSA-N 0 0 189.249 2.728 10 30 AFEERN C=CCC[C@H](C)NC1(C(F)F)CC1 388881425 487262450 /nfs/dbraw/zinc/26/24/50/487262450.db2.gz IVICUCIULXTRDP-QMMMGPOBSA-N 0 0 189.249 2.728 10 30 AFEERN C=CC(C)(C)CCNc1nncs1 528076585 487293737 /nfs/dbraw/zinc/29/37/37/487293737.db2.gz ZSAPRDPWAYRFPG-UHFFFAOYSA-N 0 0 197.307 2.552 10 30 AFEERN C=C(C)Cc1cccc(F)c1C=O 584625578 487295376 /nfs/dbraw/zinc/29/53/76/487295376.db2.gz SAIUDYVYAYVCFJ-UHFFFAOYSA-N 0 0 178.206 2.757 10 30 AFEERN C=CCSc1ccc2c(c1)CCO2 665687705 487313873 /nfs/dbraw/zinc/31/38/73/487313873.db2.gz DCRYOGAEIUROHH-UHFFFAOYSA-N 0 0 192.283 2.900 10 30 AFEERN C=CCN(CC=C)Cc1ccoc1C 666292433 487326574 /nfs/dbraw/zinc/32/65/74/487326574.db2.gz BFVKTDRULNJWIV-UHFFFAOYSA-N 0 0 191.274 2.762 10 30 AFEERN C=CC[C@H](C)NC(=O)[C@H]1CCC1(C)C 668854842 487369720 /nfs/dbraw/zinc/36/97/20/487369720.db2.gz OALBOQWLHZEEJM-VHSXEESVSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC[C@H](C)NC(=O)[C@@H]1CCC1(C)C 668854841 487369739 /nfs/dbraw/zinc/36/97/39/487369739.db2.gz OALBOQWLHZEEJM-UWVGGRQHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC[C@@H](C)NC(=O)[C@@H]1CCC1(C)C 668854843 487369852 /nfs/dbraw/zinc/36/98/52/487369852.db2.gz OALBOQWLHZEEJM-ZJUUUORDSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC[C@@H](C)NC(=O)[C@H]1CCC1(C)C 668854840 487369855 /nfs/dbraw/zinc/36/98/55/487369855.db2.gz OALBOQWLHZEEJM-NXEZZACHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)/C(=C/C)CC 890551366 582456509 /nfs/dbraw/zinc/45/65/09/582456509.db2.gz BCKGWGULIQZFKR-IGLBNKAOSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@H]1CCN1C(=O)[C@H](C)CCC 890557939 582456522 /nfs/dbraw/zinc/45/65/22/582456522.db2.gz JOOYYBITRRUEOS-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)C[C@H](C)CC 890552274 582456533 /nfs/dbraw/zinc/45/65/33/582456533.db2.gz MELBICTVBBRILH-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)/C=C/CCC 890549057 582456562 /nfs/dbraw/zinc/45/65/62/582456562.db2.gz GAAMTQDROIRFPP-LXSSAFMLSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@H]1CCN1C(=O)C(C)=C(C)C 890558873 582456569 /nfs/dbraw/zinc/45/65/69/582456569.db2.gz IHKMLOZWPHCKQR-NSHDSACASA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@H]1CCN1C(=O)/C=C\CCC 890549056 582456577 /nfs/dbraw/zinc/45/65/77/582456577.db2.gz GAAMTQDROIRFPP-JYKYSHPRSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)/C=C(\C)CC 890554240 582456578 /nfs/dbraw/zinc/45/65/78/582456578.db2.gz LIVAUSACOLFMCM-PBQZMEPESA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@H]1CCN1C(=O)C[C@@H](C)CC 890552276 582456589 /nfs/dbraw/zinc/45/65/89/582456589.db2.gz MELBICTVBBRILH-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)C(C)=C(C)C 890558872 582456605 /nfs/dbraw/zinc/45/66/05/582456605.db2.gz IHKMLOZWPHCKQR-LLVKDONJSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)[C@@H](C)CCC 890557941 582456647 /nfs/dbraw/zinc/45/66/47/582456647.db2.gz JOOYYBITRRUEOS-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@H]1CCN1C(=O)[C@@H](C)CCC 890557940 582456649 /nfs/dbraw/zinc/45/66/49/582456649.db2.gz JOOYYBITRRUEOS-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)C[C@@H](C)CC 890552277 582456665 /nfs/dbraw/zinc/45/66/65/582456665.db2.gz MELBICTVBBRILH-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@H]1CCN1C(=O)/C(=C/C)CC 890551367 582456671 /nfs/dbraw/zinc/45/66/71/582456671.db2.gz BCKGWGULIQZFKR-UAWPZABVSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@H]1CCN1C(=O)/C=C(\C)CC 890554241 582456676 /nfs/dbraw/zinc/45/66/76/582456676.db2.gz LIVAUSACOLFMCM-USKTWTLRSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)/C=C(/C)CC 890554238 582456683 /nfs/dbraw/zinc/45/66/83/582456683.db2.gz LIVAUSACOLFMCM-DWOQACPDSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@H]1CCN1C(=O)C(C)(C)CC 890559939 582456684 /nfs/dbraw/zinc/45/66/84/582456684.db2.gz FZQXFTSKQKFVOL-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@H]1CCN1C(=O)/C(=C\C)CC 890551368 582456686 /nfs/dbraw/zinc/45/66/86/582456686.db2.gz BCKGWGULIQZFKR-VQNWOSHQSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)[C@H](C)CCC 890557938 582456731 /nfs/dbraw/zinc/45/67/31/582456731.db2.gz JOOYYBITRRUEOS-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@H]1CCN1C(=O)C[C@H](C)CC 890552275 582456738 /nfs/dbraw/zinc/45/67/38/582456738.db2.gz MELBICTVBBRILH-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)/C(C)=C\CC 890563188 582457126 /nfs/dbraw/zinc/45/71/26/582457126.db2.gz POJJWFCTOPNDCZ-SDKXAQGSSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)C(C)(C)CC 890559941 582456802 /nfs/dbraw/zinc/45/68/02/582456802.db2.gz FZQXFTSKQKFVOL-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)/C(=C\C)CC 890551365 582456804 /nfs/dbraw/zinc/45/68/04/582456804.db2.gz BCKGWGULIQZFKR-GULOHRGCSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@H]1CCN1C(=O)/C=C(/C)CC 890554239 582456813 /nfs/dbraw/zinc/45/68/13/582456813.db2.gz LIVAUSACOLFMCM-JUDLJHIGSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)C(CC)CC 890562199 582456849 /nfs/dbraw/zinc/45/68/49/582456849.db2.gz UDUFRGICHUEGKM-LLVKDONJSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCCC(=O)N1CC[C@@H]1CC=C 890559517 582456886 /nfs/dbraw/zinc/45/68/86/582456886.db2.gz NKWDVYRZNFSNPC-NSHDSACASA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@H]1CCN1C(=O)CCC(C)C 890566984 582456929 /nfs/dbraw/zinc/45/69/29/582456929.db2.gz PDKHEBUCKOXXPP-NSHDSACASA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@H]1CCN1C(=O)/C(C)=C/CC 890563187 582456957 /nfs/dbraw/zinc/45/69/57/582456957.db2.gz POJJWFCTOPNDCZ-RUYJGKKWSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@H]1CCN1C(=O)C(CC)CC 890562200 582456962 /nfs/dbraw/zinc/45/69/62/582456962.db2.gz UDUFRGICHUEGKM-NSHDSACASA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@H]1CCN1C(=O)CCCCC 890566004 582456982 /nfs/dbraw/zinc/45/69/82/582456982.db2.gz SCKWFQFEYMINNT-NSHDSACASA-N 0 0 195.306 2.744 10 30 AFEERN C=CCCCC(=O)N1CC[C@H]1CC=C 890559516 582456983 /nfs/dbraw/zinc/45/69/83/582456983.db2.gz NKWDVYRZNFSNPC-LLVKDONJSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)CCCCC 890566003 582457033 /nfs/dbraw/zinc/45/70/33/582457033.db2.gz SCKWFQFEYMINNT-LLVKDONJSA-N 0 0 195.306 2.744 10 30 AFEERN C=CC[C@H]1CCN1C(=O)CC(C)(C)C 890564534 582457034 /nfs/dbraw/zinc/45/70/34/582457034.db2.gz CZLKYXVVWASNRL-JTQLQIEISA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)CCC(C)C 890566983 582457038 /nfs/dbraw/zinc/45/70/38/582457038.db2.gz PDKHEBUCKOXXPP-LLVKDONJSA-N 0 0 195.306 2.600 10 30 AFEERN C=CC[C@H]1CCN1C(=O)/C(C)=C\CC 890563189 582457048 /nfs/dbraw/zinc/45/70/48/582457048.db2.gz POJJWFCTOPNDCZ-YAEJEKNGSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)/C(C)=C/CC 890563186 582457062 /nfs/dbraw/zinc/45/70/62/582457062.db2.gz POJJWFCTOPNDCZ-CDCCAWJDSA-N 0 0 193.290 2.520 10 30 AFEERN C=CC[C@@H]1CCN1C(=O)CC(C)(C)C 890564535 582457096 /nfs/dbraw/zinc/45/70/96/582457096.db2.gz CZLKYXVVWASNRL-SNVBAGLBSA-N 0 0 195.306 2.600 10 30 AFEERN Cn1ccc2cc(NCCC#N)ccc21 757125189 582457965 /nfs/dbraw/zinc/45/79/65/582457965.db2.gz DENVTROWYUZPQQ-UHFFFAOYSA-N 0 0 199.257 2.504 10 30 AFEERN CC(=NOC1CCC1)c1ccc(C)o1 812237714 582457974 /nfs/dbraw/zinc/45/79/74/582457974.db2.gz CEFOIWJZSHDFNP-UHFFFAOYSA-N 0 0 193.246 2.881 10 30 AFEERN C#C[C@H](C)Nc1ccc2c(ccn2C)c1 757126778 582458276 /nfs/dbraw/zinc/45/82/76/582458276.db2.gz HCFNXANQPMPBIR-JTQLQIEISA-N 0 0 198.269 2.612 10 30 AFEERN C#C[C@@H](C)Nc1ccc2c(ccn2C)c1 757126797 582458622 /nfs/dbraw/zinc/45/86/22/582458622.db2.gz HCFNXANQPMPBIR-SNVBAGLBSA-N 0 0 198.269 2.612 10 30 AFEERN C#CCCNc1ccc2c(ccn2C)c1 757133900 582459016 /nfs/dbraw/zinc/45/90/16/582459016.db2.gz VOVRSEUAKGSQGE-UHFFFAOYSA-N 0 0 198.269 2.614 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)C(C)(C)C 218855725 582459359 /nfs/dbraw/zinc/45/93/59/582459359.db2.gz FKEOJFSEFNGZBT-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN C=CCN(C)c1cc2ccccc2[nH]1 757135950 582459821 /nfs/dbraw/zinc/45/98/21/582459821.db2.gz JFIBCOQLUZRAEB-UHFFFAOYSA-N 0 0 186.258 2.790 10 30 AFEERN C[C@H]1C[C@H]1c1ccc(CS)o1 757160183 582468068 /nfs/dbraw/zinc/46/80/68/582468068.db2.gz LNXAIHRECFGSCR-POYBYMJQSA-N 0 0 168.261 2.833 10 30 AFEERN COc1ccc(C2CC(S)C2)cc1 757163286 582468071 /nfs/dbraw/zinc/46/80/71/582468071.db2.gz NKPWKUKHXLQQKH-UHFFFAOYSA-N 0 0 194.299 2.871 10 30 AFEERN SCc1cccc2[nH]ccc12 757160265 582468213 /nfs/dbraw/zinc/46/82/13/582468213.db2.gz NFYIUWMZASREDO-UHFFFAOYSA-N 0 0 163.245 2.598 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H]1CCC1(C)C 860899962 582468259 /nfs/dbraw/zinc/46/82/59/582468259.db2.gz UXEOVSFINJWGOS-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C[C@@H]1C[C@H]1c1ccc(CS)o1 757160182 582468342 /nfs/dbraw/zinc/46/83/42/582468342.db2.gz LNXAIHRECFGSCR-HTRCEHHLSA-N 0 0 168.261 2.833 10 30 AFEERN C[C@@H]1C[C@@H]1c1ccc(CS)o1 757160185 582468347 /nfs/dbraw/zinc/46/83/47/582468347.db2.gz LNXAIHRECFGSCR-SVRRBLITSA-N 0 0 168.261 2.833 10 30 AFEERN C[C@H]1C[C@@H]1c1ccc(CS)o1 757160186 582468395 /nfs/dbraw/zinc/46/83/95/582468395.db2.gz LNXAIHRECFGSCR-XPUUQOCRSA-N 0 0 168.261 2.833 10 30 AFEERN SCc1cccc2cnccc12 757160328 582468452 /nfs/dbraw/zinc/46/84/52/582468452.db2.gz NPZZRRWSDLJDMZ-UHFFFAOYSA-N 0 0 175.256 2.665 10 30 AFEERN CC1(C)Cc2cc(CS)ccc2O1 757163819 582468456 /nfs/dbraw/zinc/46/84/56/582468456.db2.gz SLKJVKHOZHEKDY-UHFFFAOYSA-N 0 0 194.299 2.830 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1CCC1(C)C 860899961 582468469 /nfs/dbraw/zinc/46/84/69/582468469.db2.gz UXEOVSFINJWGOS-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H]1CCC1(C)C 860899959 582468574 /nfs/dbraw/zinc/46/85/74/582468574.db2.gz UXEOVSFINJWGOS-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1CCC1(C)C 860899960 582468617 /nfs/dbraw/zinc/46/86/17/582468617.db2.gz UXEOVSFINJWGOS-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C#CCCSCc1occc1C 757165508 582468713 /nfs/dbraw/zinc/46/87/13/582468713.db2.gz LXCJHBRYHULAFE-UHFFFAOYSA-N 0 0 180.272 2.845 10 30 AFEERN Cc1ccoc1CSCCS 757165552 582468722 /nfs/dbraw/zinc/46/87/22/582468722.db2.gz MDNQEEKKTNBUPD-UHFFFAOYSA-N 0 0 188.317 2.751 10 30 AFEERN C[C@@H](S)CCC(F)(F)F 757164677 582468723 /nfs/dbraw/zinc/46/87/23/582468723.db2.gz IGJDYDOOVFOFAG-SCSAIBSYSA-N 0 0 158.188 2.647 10 30 AFEERN Oc1ccc2c(c1)[C@H](S)CCC2 757164737 582468731 /nfs/dbraw/zinc/46/87/31/582468731.db2.gz INXSWJGWIMUKAO-SNVBAGLBSA-N 0 0 180.272 2.699 10 30 AFEERN Cc1ccoc1CSC[C@]1(C)CO1 757165510 582469057 /nfs/dbraw/zinc/46/90/57/582469057.db2.gz LXHGPUKYTXZPOR-JTQLQIEISA-N 0 0 198.287 2.610 10 30 AFEERN SCc1ccc2cc[nH]c2c1 757165530 582468792 /nfs/dbraw/zinc/46/87/92/582468792.db2.gz LWXWAEDSAFNUFJ-UHFFFAOYSA-N 0 0 163.245 2.598 10 30 AFEERN Cc1cc(C)c([C@@H](C)S)c(C)n1 757164259 582468882 /nfs/dbraw/zinc/46/88/82/582468882.db2.gz YZTOTNZPYZTCPC-SECBINFHSA-N 0 0 181.304 2.998 10 30 AFEERN Cc1ccoc1CSC[C@@]1(C)CO1 757165513 582468900 /nfs/dbraw/zinc/46/89/00/582468900.db2.gz LXHGPUKYTXZPOR-SNVBAGLBSA-N 0 0 198.287 2.610 10 30 AFEERN SCc1ccc2cnccc2c1 757163964 582468954 /nfs/dbraw/zinc/46/89/54/582468954.db2.gz WGOZSBAVUUFFKQ-UHFFFAOYSA-N 0 0 175.256 2.665 10 30 AFEERN Cc1ccc([C@@H](C)S)c(O)c1 757163150 582469005 /nfs/dbraw/zinc/46/90/05/582469005.db2.gz LGLFPERLISZZPG-SSDOTTSWSA-N 0 0 168.261 2.691 10 30 AFEERN Cc1ccoc1CSCC[C@@H]1CO1 757165559 582469009 /nfs/dbraw/zinc/46/90/09/582469009.db2.gz MFTIMPAJPJQDDO-SECBINFHSA-N 0 0 198.287 2.610 10 30 AFEERN Cc1ccc([C@H](C)S)c(O)c1 757163153 582469014 /nfs/dbraw/zinc/46/90/14/582469014.db2.gz LGLFPERLISZZPG-ZETCQYMHSA-N 0 0 168.261 2.691 10 30 AFEERN C[C@H](S)CCC(F)(F)F 757164673 582469031 /nfs/dbraw/zinc/46/90/31/582469031.db2.gz IGJDYDOOVFOFAG-BYPYZUCNSA-N 0 0 158.188 2.647 10 30 AFEERN Oc1ccc2c(c1)[C@@H](S)CCC2 757164725 582469035 /nfs/dbraw/zinc/46/90/35/582469035.db2.gz INXSWJGWIMUKAO-JTQLQIEISA-N 0 0 180.272 2.699 10 30 AFEERN Cc1cc(C)c([C@H](C)S)c(C)n1 757164274 582469082 /nfs/dbraw/zinc/46/90/82/582469082.db2.gz YZTOTNZPYZTCPC-VIFPVBQESA-N 0 0 181.304 2.998 10 30 AFEERN Cc1ccoc1CSCC[C@H]1CO1 757165560 582469184 /nfs/dbraw/zinc/46/91/84/582469184.db2.gz MFTIMPAJPJQDDO-VIFPVBQESA-N 0 0 198.287 2.610 10 30 AFEERN Cc1ccoc1CSCCC#N 757166578 582469490 /nfs/dbraw/zinc/46/94/90/582469490.db2.gz QXVVHSOKPKCNHM-UHFFFAOYSA-N 0 0 181.260 2.735 10 30 AFEERN CCO[C@@H]1C[C@@H](S)C12CCCC2 757165799 582469304 /nfs/dbraw/zinc/46/93/04/582469304.db2.gz POVRBHJXTPQIDH-RKDXNWHRSA-N 0 0 186.320 2.654 10 30 AFEERN Cc1ccoc1CSC[C@@H](C)C#N 757166296 582469333 /nfs/dbraw/zinc/46/93/33/582469333.db2.gz QEODGINLBMSTNA-QMMMGPOBSA-N 0 0 195.287 2.981 10 30 AFEERN CCO[C@H]1C[C@@H](S)C12CCCC2 757165795 582469456 /nfs/dbraw/zinc/46/94/56/582469456.db2.gz POVRBHJXTPQIDH-DTWKUNHWSA-N 0 0 186.320 2.654 10 30 AFEERN COc1cccc2cc(CS)oc12 757166530 582469471 /nfs/dbraw/zinc/46/94/71/582469471.db2.gz WJJRQHAAGBVZNA-UHFFFAOYSA-N 0 0 194.255 2.871 10 30 AFEERN Cc1ccoc1CSC[C@H](C)C#N 757166295 582469474 /nfs/dbraw/zinc/46/94/74/582469474.db2.gz QEODGINLBMSTNA-MRVPVSSYSA-N 0 0 195.287 2.981 10 30 AFEERN CCO[C@H]1C[C@H](S)C12CCCC2 757165797 582469487 /nfs/dbraw/zinc/46/94/87/582469487.db2.gz POVRBHJXTPQIDH-IUCAKERBSA-N 0 0 186.320 2.654 10 30 AFEERN CCOc1cccc(CS)c1OC 757166912 582469522 /nfs/dbraw/zinc/46/95/22/582469522.db2.gz XRQCSFKSZBQFCA-UHFFFAOYSA-N 0 0 198.287 2.524 10 30 AFEERN CSCc1ccc(CS)o1 757166386 582469564 /nfs/dbraw/zinc/46/95/64/582469564.db2.gz UCPPMSDBMHWGPO-UHFFFAOYSA-N 0 0 174.290 2.572 10 30 AFEERN C[C@H](S)c1ccc(F)cc1O 757166453 582469567 /nfs/dbraw/zinc/46/95/67/582469567.db2.gz VFCLPITWYKCUNL-YFKPBYRVSA-N 0 0 172.224 2.522 10 30 AFEERN CCO[C@@H]1C[C@H](S)C12CCCC2 757165792 582469612 /nfs/dbraw/zinc/46/96/12/582469612.db2.gz POVRBHJXTPQIDH-BDAKNGLRSA-N 0 0 186.320 2.654 10 30 AFEERN C[C@@H](S)c1ccc(F)cc1O 757166448 582469625 /nfs/dbraw/zinc/46/96/25/582469625.db2.gz VFCLPITWYKCUNL-RXMQYKEDSA-N 0 0 172.224 2.522 10 30 AFEERN Cc1ccoc1CS[C@@H](C)C#N 757167864 582469928 /nfs/dbraw/zinc/46/99/28/582469928.db2.gz YGKQHHISNDZXQX-QMMMGPOBSA-N 0 0 181.260 2.733 10 30 AFEERN C=CCCCC(=O)O[C@@H](C)CC=C 860903701 582469975 /nfs/dbraw/zinc/46/99/75/582469975.db2.gz FJVCSYHQKRPTEU-JTQLQIEISA-N 0 0 182.263 2.851 10 30 AFEERN C#CCSCc1ccc(Cl)o1 757170803 582470006 /nfs/dbraw/zinc/47/00/06/582470006.db2.gz QSIMIQIHPWRPAC-UHFFFAOYSA-N 0 0 186.663 2.799 10 30 AFEERN Cc1ccoc1CS[C@H](C)C#N 757167863 582470018 /nfs/dbraw/zinc/47/00/18/582470018.db2.gz YGKQHHISNDZXQX-MRVPVSSYSA-N 0 0 181.260 2.733 10 30 AFEERN N#CCSCc1ccc(Cl)o1 757170493 582470027 /nfs/dbraw/zinc/47/00/27/582470027.db2.gz PPXGTCOPYPCOSG-UHFFFAOYSA-N 0 0 187.651 2.690 10 30 AFEERN CCc1ccc(CS[C@H](C)C#N)o1 757168681 582470070 /nfs/dbraw/zinc/47/00/70/582470070.db2.gz CMKHQHORHLDLJW-MRVPVSSYSA-N 0 0 195.287 2.987 10 30 AFEERN CCc1ccc(CSCCC=O)o1 757168944 582470141 /nfs/dbraw/zinc/47/01/41/582470141.db2.gz DTBSSOBJOIWMHL-UHFFFAOYSA-N 0 0 198.287 2.664 10 30 AFEERN CCc1ccc(CSCCC#N)o1 757168743 582470327 /nfs/dbraw/zinc/47/03/27/582470327.db2.gz CUFSWSNYHQUVBL-UHFFFAOYSA-N 0 0 195.287 2.989 10 30 AFEERN CCc1ccc(CS[C@@H](C)C#N)o1 757168688 582470395 /nfs/dbraw/zinc/47/03/95/582470395.db2.gz CMKHQHORHLDLJW-QMMMGPOBSA-N 0 0 195.287 2.987 10 30 AFEERN C=CCCCC(=O)O[C@H](C)CC=C 860903702 582470425 /nfs/dbraw/zinc/47/04/25/582470425.db2.gz FJVCSYHQKRPTEU-SNVBAGLBSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H](C)CCC 860904373 582470672 /nfs/dbraw/zinc/47/06/72/582470672.db2.gz SYMXCQBNSQQSSJ-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN CCc1ccc(CSCC#N)o1 757169661 582470685 /nfs/dbraw/zinc/47/06/85/582470685.db2.gz KXTBRNLZUYSLST-UHFFFAOYSA-N 0 0 181.260 2.599 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H](C)CCC 860904375 582470836 /nfs/dbraw/zinc/47/08/36/582470836.db2.gz SYMXCQBNSQQSSJ-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H](C)CCC 860904372 582470967 /nfs/dbraw/zinc/47/09/67/582470967.db2.gz SYMXCQBNSQQSSJ-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H](C)CCC 860904374 582470980 /nfs/dbraw/zinc/47/09/80/582470980.db2.gz SYMXCQBNSQQSSJ-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)c1ccsc1 860906564 582471173 /nfs/dbraw/zinc/47/11/73/582471173.db2.gz MDQBIOQLSGTGEI-MRVPVSSYSA-N 0 0 196.271 2.870 10 30 AFEERN C=CC[C@H](C)OC(=O)c1ccsc1 860906565 582471257 /nfs/dbraw/zinc/47/12/57/582471257.db2.gz MDQBIOQLSGTGEI-QMMMGPOBSA-N 0 0 196.271 2.870 10 30 AFEERN CCc1ccc(CS[C@@H](C)C=O)o1 757171955 582471494 /nfs/dbraw/zinc/47/14/94/582471494.db2.gz WJELVIARICUHHC-QMMMGPOBSA-N 0 0 198.287 2.663 10 30 AFEERN C#CCSCc1ccc(CC)o1 757172372 582471512 /nfs/dbraw/zinc/47/15/12/582471512.db2.gz XACRVYRLXVLKED-UHFFFAOYSA-N 0 0 180.272 2.708 10 30 AFEERN CCc1ccc(CS[C@H](C)C=O)o1 757171949 582471515 /nfs/dbraw/zinc/47/15/15/582471515.db2.gz WJELVIARICUHHC-MRVPVSSYSA-N 0 0 198.287 2.663 10 30 AFEERN Cc1nn(C2CCCCC2)cc1C#N 757190637 582471807 /nfs/dbraw/zinc/47/18/07/582471807.db2.gz NEGLMJIYSOHDNX-UHFFFAOYSA-N 0 0 189.262 2.568 10 30 AFEERN Cc1nn([C@H](C)C(C)(C)C)cc1C#N 757190253 582471998 /nfs/dbraw/zinc/47/19/98/582471998.db2.gz KCUNDPFXRHDNEM-SECBINFHSA-N 0 0 191.278 2.670 10 30 AFEERN C=CCCCN(CC)C(=O)/C(C)=C\C 890814200 582473326 /nfs/dbraw/zinc/47/33/26/582473326.db2.gz YOUZCIUBSOJYIN-WDZFZDKYSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCCN(CC)C(=O)/C(C)=C/C 890814199 582473341 /nfs/dbraw/zinc/47/33/41/582473341.db2.gz YOUZCIUBSOJYIN-IZZDOVSWSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCCN(CC)C(=O)C1(C)CC1 890814113 582473386 /nfs/dbraw/zinc/47/33/86/582473386.db2.gz VKLBKCUMVBLJCW-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=C[C@@H](C)ON=C(CC)C1CC1 844621448 582474376 /nfs/dbraw/zinc/47/43/76/582474376.db2.gz HGWGFBQRXYXXLL-MRVPVSSYSA-N 0 0 167.252 2.754 10 30 AFEERN C=C[C@H](C)ON=C(CC)C1CC1 844621449 582474383 /nfs/dbraw/zinc/47/43/83/582474383.db2.gz HGWGFBQRXYXXLL-QMMMGPOBSA-N 0 0 167.252 2.754 10 30 AFEERN C=CC(C)(C)NC(=O)C=C(CC)CC 891270762 582475986 /nfs/dbraw/zinc/47/59/86/582475986.db2.gz ZZEFBMHOCYQSDR-UHFFFAOYSA-N 0 0 195.306 2.814 10 30 AFEERN C=CC(C)(C)NC(=O)/C=C/C(C)(C)C 891270115 582475989 /nfs/dbraw/zinc/47/59/89/582475989.db2.gz YYPJMAGGSXWDAF-CMDGGOBGSA-N 0 0 195.306 2.670 10 30 AFEERN C=CC(C)(C)NC(=O)CC[C@@H](C)CC 891268175 582476001 /nfs/dbraw/zinc/47/60/01/582476001.db2.gz NGVKOQUOUODBOD-JTQLQIEISA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)CCC(C)(C)C 891269286 582476056 /nfs/dbraw/zinc/47/60/56/582476056.db2.gz INOXJVJRDKJDRV-UHFFFAOYSA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)CCC1CCC1 891270107 582476069 /nfs/dbraw/zinc/47/60/69/582476069.db2.gz YRPXDDIEAIXRKV-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H](C)CCC 891269914 582476086 /nfs/dbraw/zinc/47/60/86/582476086.db2.gz VJGSHPFALVGMOI-VIFPVBQESA-N 0 0 183.295 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)/C=C\C(C)(C)C 891270116 582476090 /nfs/dbraw/zinc/47/60/90/582476090.db2.gz YYPJMAGGSXWDAF-HJWRWDBZSA-N 0 0 195.306 2.670 10 30 AFEERN C=CC(C)(C)NC(=O)C1CC(C)(C)C1 891268459 582476172 /nfs/dbraw/zinc/47/61/72/582476172.db2.gz WIPVZWHIZBOZQU-UHFFFAOYSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)CC[C@H](C)CC 891268177 582476233 /nfs/dbraw/zinc/47/62/33/582476233.db2.gz NGVKOQUOUODBOD-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)CC(C)(C)CC 891269394 582476250 /nfs/dbraw/zinc/47/62/50/582476250.db2.gz KRZZLHKFAQOVGJ-UHFFFAOYSA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H]1CCC1(C)C 891267221 582476314 /nfs/dbraw/zinc/47/63/14/582476314.db2.gz RTFSBQVJOJFNCK-SECBINFHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H](C)CCCC 891268185 582476333 /nfs/dbraw/zinc/47/63/33/582476333.db2.gz NNABJPHDSBMADW-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)CC(C)=C(C)C 891267143 582476364 /nfs/dbraw/zinc/47/63/64/582476364.db2.gz PGLHKDYDBXISCS-UHFFFAOYSA-N 0 0 195.306 2.814 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H]1CCC1(C)C 891267222 582476404 /nfs/dbraw/zinc/47/64/04/582476404.db2.gz RTFSBQVJOJFNCK-VIFPVBQESA-N 0 0 195.306 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)[C@H](C)CCC 891269913 582476406 /nfs/dbraw/zinc/47/64/06/582476406.db2.gz VJGSHPFALVGMOI-SECBINFHSA-N 0 0 183.295 2.503 10 30 AFEERN C=CC(C)(C)NC(=O)C1=C(C)CCC1 891270759 582476422 /nfs/dbraw/zinc/47/64/22/582476422.db2.gz ZYHKWLSEHAYCTK-UHFFFAOYSA-N 0 0 193.290 2.568 10 30 AFEERN C=CC(C)(C)NC(=O)[C@@H](C)CCCC 891268184 582476430 /nfs/dbraw/zinc/47/64/30/582476430.db2.gz NNABJPHDSBMADW-JTQLQIEISA-N 0 0 197.322 2.894 10 30 AFEERN C=CC(C)(C)NC(=O)CC(CC)CC 891270164 582476485 /nfs/dbraw/zinc/47/64/85/582476485.db2.gz MOANXVOKNLIONN-UHFFFAOYSA-N 0 0 197.322 2.894 10 30 AFEERN C=CCC[C@@H](C)OC(=O)CCC 211904005 582479295 /nfs/dbraw/zinc/47/92/95/582479295.db2.gz XBAJJSVJUHQTJL-SECBINFHSA-N 0 0 170.252 2.684 10 30 AFEERN CO[C@H](C=NOC1CCC1)CC(C)C 841638618 582485028 /nfs/dbraw/zinc/48/50/28/582485028.db2.gz FQEMVCIIXRKNBG-NSHDSACASA-N 0 0 199.294 2.602 10 30 AFEERN C#CCN(c1ccc(C)cc1)C(C)C 725800431 582483870 /nfs/dbraw/zinc/48/38/70/582483870.db2.gz HKKGRKWWDUJSOW-UHFFFAOYSA-N 0 0 187.286 2.843 10 30 AFEERN C=CCOC(=O)CC(C)(C)CC 145371758 582483921 /nfs/dbraw/zinc/48/39/21/582483921.db2.gz BEPHGXUHLDNKJR-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN Cc1ccc(N(CC#N)C(C)C)cc1 725800389 582483924 /nfs/dbraw/zinc/48/39/24/582483924.db2.gz DMLTZRGJEZZATN-UHFFFAOYSA-N 0 0 188.274 2.733 10 30 AFEERN C=C[C@H](C)OC(=O)c1cc(C)c(C)o1 781577868 582483980 /nfs/dbraw/zinc/48/39/80/582483980.db2.gz APWBAZKJUSGBLT-QMMMGPOBSA-N 0 0 194.230 2.628 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCCC1(C)C 781578941 582483995 /nfs/dbraw/zinc/48/39/95/582483995.db2.gz NAEALWUVATVUHF-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H]1CCCC1(C)C 781578945 582484029 /nfs/dbraw/zinc/48/40/29/582484029.db2.gz NAEALWUVATVUHF-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)c1cc(C)c(C)o1 781577867 582484052 /nfs/dbraw/zinc/48/40/52/582484052.db2.gz APWBAZKJUSGBLT-MRVPVSSYSA-N 0 0 194.230 2.628 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CCCC1(C)C 781578944 582484159 /nfs/dbraw/zinc/48/41/59/582484159.db2.gz NAEALWUVATVUHF-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H]1CCCC1(C)C 781578940 582484164 /nfs/dbraw/zinc/48/41/64/582484164.db2.gz NAEALWUVATVUHF-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C#C[C@H](C)OC(=O)CC1CCCCC1 744181808 582484522 /nfs/dbraw/zinc/48/45/22/582484522.db2.gz XZSWEVSXYQLIJQ-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@@H](C)OC(=O)CC1CCCCC1 744181811 582484579 /nfs/dbraw/zinc/48/45/79/582484579.db2.gz XZSWEVSXYQLIJQ-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN CO[C@@H](C=NOC1CCC1)CC(C)C 841638616 582484977 /nfs/dbraw/zinc/48/49/77/582484977.db2.gz FQEMVCIIXRKNBG-LLVKDONJSA-N 0 0 199.294 2.602 10 30 AFEERN C=C(C)CNN=C(C)CCCCC#N 841638677 582484986 /nfs/dbraw/zinc/48/49/86/582484986.db2.gz GGMGJNUVOXKBRQ-UHFFFAOYSA-N 0 0 193.294 2.612 10 30 AFEERN C=CCCN(C)c1ccc(OC)cc1 138251132 582485043 /nfs/dbraw/zinc/48/50/43/582485043.db2.gz GMWDPWSBQOHJER-UHFFFAOYSA-N 0 0 191.274 2.708 10 30 AFEERN CC#CCNc1ccc(CC)c(F)c1 307710797 582488767 /nfs/dbraw/zinc/48/87/67/582488767.db2.gz RBRLYUUOVQGYJR-UHFFFAOYSA-N 0 0 191.249 2.823 10 30 AFEERN CC#CCCSc1nc(C)c(C)o1 306510733 582487730 /nfs/dbraw/zinc/48/77/30/582487730.db2.gz DJMTXHOPFUBQQW-UHFFFAOYSA-N 0 0 195.287 2.797 10 30 AFEERN C=CCSc1cc(C)cc(C)n1 307138780 582488339 /nfs/dbraw/zinc/48/83/39/582488339.db2.gz AKCGSOKJYPFKHC-UHFFFAOYSA-N 0 0 179.288 2.977 10 30 AFEERN C[C@@H](S)COCc1ccccc1 146705819 582488981 /nfs/dbraw/zinc/48/89/81/582488981.db2.gz MPJMQJMFLBIIFK-SECBINFHSA-N 0 0 182.288 2.522 10 30 AFEERN CC(C)ON=C1CCC[C@@H]2C[C@H]12 841640663 582489879 /nfs/dbraw/zinc/48/98/79/582489879.db2.gz HIRLRGFOZUCVCT-BDAKNGLRSA-N 0 0 167.252 2.587 10 30 AFEERN C[C@H](S)COCc1ccccc1 146705627 582492002 /nfs/dbraw/zinc/49/20/02/582492002.db2.gz MPJMQJMFLBIIFK-VIFPVBQESA-N 0 0 182.288 2.522 10 30 AFEERN CCCCCCCn1ncc(N)c1C 704873463 582496061 /nfs/dbraw/zinc/49/60/61/582496061.db2.gz MAWJRTIEXRGFMP-UHFFFAOYSA-N 0 0 195.310 2.744 10 30 AFEERN Cc1cccc(S[C@H](C)C=O)c1 201457741 582496589 /nfs/dbraw/zinc/49/65/89/582496589.db2.gz KHYXJKSLHAQABT-SECBINFHSA-N 0 0 180.272 2.675 10 30 AFEERN C=C[C@@H](CC)OC(=O)C1(C2CC2)CC1 892927061 582496871 /nfs/dbraw/zinc/49/68/71/582496871.db2.gz QPLWKIZIQIKLJO-JTQLQIEISA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H](CC)OC(=O)C1(C2CC2)CC1 892927062 582497014 /nfs/dbraw/zinc/49/70/14/582497014.db2.gz QPLWKIZIQIKLJO-SNVBAGLBSA-N 0 0 194.274 2.684 10 30 AFEERN C=CCCC[C@H](C)OC(=O)CCF 892916347 582497112 /nfs/dbraw/zinc/49/71/12/582497112.db2.gz FPVRHTUBASUANY-VIFPVBQESA-N 0 0 188.242 2.634 10 30 AFEERN C=CCCC[C@@H](C)OC(=O)CCF 892916346 582497228 /nfs/dbraw/zinc/49/72/28/582497228.db2.gz FPVRHTUBASUANY-SECBINFHSA-N 0 0 188.242 2.634 10 30 AFEERN CCCCCCCn1nc(N)cc1C 101439798 582498658 /nfs/dbraw/zinc/49/86/58/582498658.db2.gz NRGAXEOSIBXUDC-UHFFFAOYSA-N 0 0 195.310 2.744 10 30 AFEERN C=CCON=C1CCC(OCC)CC1 853355078 582498738 /nfs/dbraw/zinc/49/87/38/582498738.db2.gz GFWJNASSIIFJKL-UHFFFAOYSA-N 0 0 197.278 2.524 10 30 AFEERN CC1(C=NOCC2CCC2)CCC1 853441037 582499377 /nfs/dbraw/zinc/49/93/77/582499377.db2.gz NSBFLGLJLYEFSZ-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C=CCCCCOC(=O)C(C)C 202748420 582502002 /nfs/dbraw/zinc/50/20/02/582502002.db2.gz GZWMVHYHERHEEX-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=C[C@H](CC)OC(=O)C=C1CCCC1 776106032 582503114 /nfs/dbraw/zinc/50/31/14/582503114.db2.gz ZDGPOIQTIZDMST-LLVKDONJSA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@@H](CC)OC(=O)C[C@@H](C)C1CC1 776105324 582502804 /nfs/dbraw/zinc/50/28/04/582502804.db2.gz QKFMYYMNFWGBLA-KOLCDFICSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](CC)OC(=O)C[C@H](C)C1CC1 776105323 582503063 /nfs/dbraw/zinc/50/30/63/582503063.db2.gz QKFMYYMNFWGBLA-GXSJLCMTSA-N 0 0 196.290 2.930 10 30 AFEERN Cc1ccc(SCCC=O)c(C)c1 19686149 582503149 /nfs/dbraw/zinc/50/31/49/582503149.db2.gz CEPJLGUXMWQKNW-UHFFFAOYSA-N 0 0 194.299 2.985 10 30 AFEERN C=C[C@H](CC)OC(=O)C[C@@H](C)C1CC1 776105325 582503329 /nfs/dbraw/zinc/50/33/29/582503329.db2.gz QKFMYYMNFWGBLA-MWLCHTKSSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)C[C@H](C)C1CC1 776105326 582503351 /nfs/dbraw/zinc/50/33/51/582503351.db2.gz QKFMYYMNFWGBLA-ONGXEEELSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)c1ccccc1 776106034 582503687 /nfs/dbraw/zinc/50/36/87/582503687.db2.gz ZFZSSYBIQDLZJX-NSHDSACASA-N 0 0 190.242 2.808 10 30 AFEERN C=C[C@@H](CC)OC(=O)C=C1CCCC1 776106033 582503746 /nfs/dbraw/zinc/50/37/46/582503746.db2.gz ZDGPOIQTIZDMST-NSHDSACASA-N 0 0 194.274 2.995 10 30 AFEERN C=CCCC(=O)OC[C@@H]1CC12CCC2 893466406 582505449 /nfs/dbraw/zinc/50/54/49/582505449.db2.gz DNPRAONCJKXJNG-JTQLQIEISA-N 0 0 194.274 2.686 10 30 AFEERN C=CCCC(=O)OC[C@H]1CC12CCC2 893466413 582505504 /nfs/dbraw/zinc/50/55/04/582505504.db2.gz DNPRAONCJKXJNG-SNVBAGLBSA-N 0 0 194.274 2.686 10 30 AFEERN CCC#CCOC(=O)CCCC1CC1 893840035 582508211 /nfs/dbraw/zinc/50/82/11/582508211.db2.gz HKKHFCAPZBICBV-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN CCC#CCOC(=O)C1(C)CCCC1 893838793 582508342 /nfs/dbraw/zinc/50/83/42/582508342.db2.gz GWJSYKDINLCYCS-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=CCCC(=O)Oc1ccccc1C 726495451 582510740 /nfs/dbraw/zinc/51/07/40/582510740.db2.gz GCUITSDHCFGHAB-UHFFFAOYSA-N 0 0 190.242 2.867 10 30 AFEERN C=CCCC(=O)OC[C@@H]1CC=CCC1 726495099 582511099 /nfs/dbraw/zinc/51/10/99/582511099.db2.gz GNKIVNPLUWEIJE-LLVKDONJSA-N 0 0 194.274 2.852 10 30 AFEERN C#CCN(c1cccc(C)c1)C(C)C 726598393 582511285 /nfs/dbraw/zinc/51/12/85/582511285.db2.gz QNZNPSGMQVYQCH-UHFFFAOYSA-N 0 0 187.286 2.843 10 30 AFEERN C=CCCC(=O)OC[C@H]1CC=CCC1 726495105 582511354 /nfs/dbraw/zinc/51/13/54/582511354.db2.gz GNKIVNPLUWEIJE-NSHDSACASA-N 0 0 194.274 2.852 10 30 AFEERN C=CCCC(=O)N1CCCCCCC1 726496635 582511485 /nfs/dbraw/zinc/51/14/85/582511485.db2.gz CVRAPUDUCFRAIS-UHFFFAOYSA-N 0 0 195.306 2.745 10 30 AFEERN CC(C)[C@@H]1CCC1=NNC1CCCC1 814832285 582511650 /nfs/dbraw/zinc/51/16/50/582511650.db2.gz BIZRZDPLKHWDBC-NSHDSACASA-N 0 0 194.322 2.941 10 30 AFEERN CC(C)[C@H]1CCC1=NNC1CCCC1 814832284 582511854 /nfs/dbraw/zinc/51/18/54/582511854.db2.gz BIZRZDPLKHWDBC-LLVKDONJSA-N 0 0 194.322 2.941 10 30 AFEERN CC(C)[C@@H](C#N)OC(=O)CC(C)(C)C 747743178 582511998 /nfs/dbraw/zinc/51/19/98/582511998.db2.gz WLTOSXDVFZMDLM-SECBINFHSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)[C@H](C#N)OC(=O)CC(C)(C)C 747743179 582512086 /nfs/dbraw/zinc/51/20/86/582512086.db2.gz WLTOSXDVFZMDLM-VIFPVBQESA-N 0 0 197.278 2.514 10 30 AFEERN C=CCOC(=O)C(C)(C)CCC 140508240 582515025 /nfs/dbraw/zinc/51/50/25/582515025.db2.gz BGDVFJIFVIPLAT-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=CCCCC(=O)NCCCC1CC1 748321011 582515883 /nfs/dbraw/zinc/51/58/83/582515883.db2.gz ATNDWGCLGUBWBD-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCN1CCCc2cc(C)ccc21 726935334 582517991 /nfs/dbraw/zinc/51/79/91/582517991.db2.gz DHDHDMJIIQWHQQ-UHFFFAOYSA-N 0 0 187.286 2.934 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)NCCCC 164744861 582522539 /nfs/dbraw/zinc/52/25/39/582522539.db2.gz ZQGDNHVFEJCLIJ-SNVBAGLBSA-N 0 0 183.295 2.505 10 30 AFEERN C#CC1(Nc2nccs2)CCCC1 895161248 582524192 /nfs/dbraw/zinc/52/41/92/582524192.db2.gz RKQZXPVYZKIECB-UHFFFAOYSA-N 0 0 192.287 2.501 10 30 AFEERN CCON=C1CCC2(CCCO2)CC1 788014226 582525671 /nfs/dbraw/zinc/52/56/71/582525671.db2.gz ABCNUIMADNCURH-UHFFFAOYSA-N 0 0 197.278 2.502 10 30 AFEERN C(=NNC1CCCC1)c1ccccc1 727652267 582529943 /nfs/dbraw/zinc/52/99/43/582529943.db2.gz FZPOWESDTVRKBR-UHFFFAOYSA-N 0 0 188.274 2.553 10 30 AFEERN C[C@@H](F)CC/N=C/c1ccccc1O 840705496 582534548 /nfs/dbraw/zinc/53/45/48/582534548.db2.gz GHCDKCARKFZNEB-TVNQGELYSA-N 0 0 195.237 2.559 10 30 AFEERN CC(C)c1cccc(C[C@H]2CO2)c1 231451573 582534754 /nfs/dbraw/zinc/53/47/54/582534754.db2.gz XCPLSRDMPYGHBB-LBPRGKRZSA-N 0 0 176.259 2.751 10 30 AFEERN C[C@H](F)CC/N=C/c1ccccc1O 840705481 582535144 /nfs/dbraw/zinc/53/51/44/582535144.db2.gz GHCDKCARKFZNEB-ITTMYVLYSA-N 0 0 195.237 2.559 10 30 AFEERN C=C1CC(c2noc(C(C)(C)F)n2)C1 896884127 582535538 /nfs/dbraw/zinc/53/55/38/582535538.db2.gz OGNPBQYZUIWIOS-UHFFFAOYSA-N 0 0 196.225 2.708 10 30 AFEERN C=C1CC(c2noc(CC(C)C)n2)C1 896889594 582535861 /nfs/dbraw/zinc/53/58/61/582535861.db2.gz CELZZEQAWQBZOZ-UHFFFAOYSA-N 0 0 192.262 2.702 10 30 AFEERN C=CCCc1nc(C2CC(=C)C2)no1 896883356 582535684 /nfs/dbraw/zinc/53/56/84/582535684.db2.gz CPHDHXGZDZKKTC-UHFFFAOYSA-N 0 0 190.246 2.622 10 30 AFEERN C=C1CC(c2noc(C=C(C)C)n2)C1 896889587 582535788 /nfs/dbraw/zinc/53/57/88/582535788.db2.gz BYQORPFKYIPFPW-UHFFFAOYSA-N 0 0 190.246 2.926 10 30 AFEERN C=C(C)COC(=O)[C@@H]1[C@H]2CCCC[C@H]21 750902512 582536061 /nfs/dbraw/zinc/53/60/61/582536061.db2.gz ABBAUFGQXWFEGU-URLYPYJESA-N 0 0 194.274 2.542 10 30 AFEERN C=CCOC(=O)[C@H](C)CCCC 144079233 582540706 /nfs/dbraw/zinc/54/07/06/582540706.db2.gz BFJMPRNSNMAHOB-SECBINFHSA-N 0 0 170.252 2.542 10 30 AFEERN C=CCOC(=O)[C@@H](C)CCCC 144079427 582540789 /nfs/dbraw/zinc/54/07/89/582540789.db2.gz BFJMPRNSNMAHOB-VIFPVBQESA-N 0 0 170.252 2.542 10 30 AFEERN C=C(C)CSCc1nocc1C 871699328 582543312 /nfs/dbraw/zinc/54/33/12/582543312.db2.gz ZHRREQCMDVOGQV-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN CC[C@H](C)CON=C[C@H]1CC12CC2 863114273 582545994 /nfs/dbraw/zinc/54/59/94/582545994.db2.gz FZSZMZYKZDQPJB-VHSXEESVSA-N 0 0 181.279 2.835 10 30 AFEERN CC[C@@H](C)CON=C[C@@H]1CC12CC2 863114274 582546079 /nfs/dbraw/zinc/54/60/79/582546079.db2.gz FZSZMZYKZDQPJB-ZJUUUORDSA-N 0 0 181.279 2.835 10 30 AFEERN CC[C@H](C)CON=C[C@@H]1CC12CC2 863114272 582546139 /nfs/dbraw/zinc/54/61/39/582546139.db2.gz FZSZMZYKZDQPJB-UWVGGRQHSA-N 0 0 181.279 2.835 10 30 AFEERN C=CC(C)(C)Nc1ncncc1Cl 897532938 582547882 /nfs/dbraw/zinc/54/78/82/582547882.db2.gz HIJCEJFWFVXAPC-UHFFFAOYSA-N 0 0 197.669 2.507 10 30 AFEERN C=CC(C)(C)Nc1cncc(Cl)n1 897533507 582547967 /nfs/dbraw/zinc/54/79/67/582547967.db2.gz QUCUMZKLQQCJMC-UHFFFAOYSA-N 0 0 197.669 2.507 10 30 AFEERN C=CC(C)(C)Nc1ncc(Cl)cn1 897532994 582548009 /nfs/dbraw/zinc/54/80/09/582548009.db2.gz JWDYFDAQJIJMGM-UHFFFAOYSA-N 0 0 197.669 2.507 10 30 AFEERN C=CC(C)(C)Nc1nccs1 897532912 582548057 /nfs/dbraw/zinc/54/80/57/582548057.db2.gz GBFDNGOONUOKNQ-UHFFFAOYSA-N 0 0 168.265 2.520 10 30 AFEERN CC(C)CC1(CC(C)C)O[C@@H]1C#N 379369579 582552947 /nfs/dbraw/zinc/55/29/47/582552947.db2.gz QCNJRDVKCMPQTC-SNVBAGLBSA-N 0 0 181.279 2.740 10 30 AFEERN CC(C)CC1(CC(C)C)O[C@H]1C#N 379369577 582553289 /nfs/dbraw/zinc/55/32/89/582553289.db2.gz QCNJRDVKCMPQTC-JTQLQIEISA-N 0 0 181.279 2.740 10 30 AFEERN C=CC(C)(C)NCc1csc(C)n1 898456752 582554590 /nfs/dbraw/zinc/55/45/90/582554590.db2.gz FQJASRFLKFKCCE-UHFFFAOYSA-N 0 0 196.319 2.506 10 30 AFEERN C#Cc1ccc(NCC(C)C)cc1 898504034 582555364 /nfs/dbraw/zinc/55/53/64/582555364.db2.gz ASJSVCVUZABDEZ-UHFFFAOYSA-N 0 0 173.259 2.736 10 30 AFEERN C#Cc1ccc(NCC2(F)CC2)cc1 898498085 582555730 /nfs/dbraw/zinc/55/57/30/582555730.db2.gz GEFKVGZYTOBSBS-UHFFFAOYSA-N 0 0 189.233 2.582 10 30 AFEERN C=C(CC)Cn1cc(C2CCC2)nn1 899710953 582563854 /nfs/dbraw/zinc/56/38/54/582563854.db2.gz BZMLRTIZPPGORV-UHFFFAOYSA-N 0 0 191.278 2.512 10 30 AFEERN C=C(C)c1cccc(NC[C@@H](C)O)c1 899916295 582566804 /nfs/dbraw/zinc/56/68/04/582566804.db2.gz HFZDIHCSOGIPKQ-SNVBAGLBSA-N 0 0 191.274 2.512 10 30 AFEERN C=C(C)c1cccc(NC[C@H](C)O)c1 899916294 582567086 /nfs/dbraw/zinc/56/70/86/582567086.db2.gz HFZDIHCSOGIPKQ-JTQLQIEISA-N 0 0 191.274 2.512 10 30 AFEERN C=CCCCn1cc(C2CCC2)nn1 900524535 582574395 /nfs/dbraw/zinc/57/43/95/582574395.db2.gz MHWFEZBUJNHFLI-UHFFFAOYSA-N 0 0 191.278 2.512 10 30 AFEERN C=C(C)CCn1cc(C2CCC2)nn1 900546476 582574417 /nfs/dbraw/zinc/57/44/17/582574417.db2.gz OAANIUPKPGADBK-UHFFFAOYSA-N 0 0 191.278 2.512 10 30 AFEERN C=CC(C)(C)CC(=O)N1CCC1(C)C 900786654 582577148 /nfs/dbraw/zinc/57/71/48/582577148.db2.gz HZQKQHFVKKFHHO-UHFFFAOYSA-N 0 0 195.306 2.600 10 30 AFEERN CCON=C1CCC[C@@H](SC)C1 901165262 582580047 /nfs/dbraw/zinc/58/00/47/582580047.db2.gz HRDKAUPUHKAZLR-SECBINFHSA-N 0 0 187.308 2.685 10 30 AFEERN CCON=C1CCC[C@H](SC)C1 901165263 582580056 /nfs/dbraw/zinc/58/00/56/582580056.db2.gz HRDKAUPUHKAZLR-VIFPVBQESA-N 0 0 187.308 2.685 10 30 AFEERN C=CCON=C1CCC[C@@H](SC)C1 901248633 582580802 /nfs/dbraw/zinc/58/08/02/582580802.db2.gz DUFJSRGVCXDDJN-SNVBAGLBSA-N 0 0 199.319 2.851 10 30 AFEERN C=CCON=C1CCC[C@H](SC)C1 901248632 582580940 /nfs/dbraw/zinc/58/09/40/582580940.db2.gz DUFJSRGVCXDDJN-JTQLQIEISA-N 0 0 199.319 2.851 10 30 AFEERN C=CCCC(CCC)N=NCC 901282349 582583574 /nfs/dbraw/zinc/58/35/74/582583574.db2.gz FVJQLNLTENWLTQ-UHFFFAOYSA-N 0 0 168.284 2.718 10 30 AFEERN C=CCC1(CN=NCC)CCCC1 901282523 582584022 /nfs/dbraw/zinc/58/40/22/582584022.db2.gz JXAISQSPAXEAAF-UHFFFAOYSA-N 0 0 180.295 2.718 10 30 AFEERN C#CCCCCCCSCC(C)=O 901498410 582586772 /nfs/dbraw/zinc/58/67/72/582586772.db2.gz ZXOMVKGSBCJMJK-UHFFFAOYSA-N 0 0 198.331 2.892 10 30 AFEERN C=C(C)c1cccc(NCCOC)c1 901509019 582587299 /nfs/dbraw/zinc/58/72/99/582587299.db2.gz LBMOOXDLQFANRQ-UHFFFAOYSA-N 0 0 191.274 2.778 10 30 AFEERN N#CCCCSCc1ccncc1 901623334 582588786 /nfs/dbraw/zinc/58/87/86/582588786.db2.gz HYTUHYHUVNPXBO-UHFFFAOYSA-N 0 0 192.287 2.619 10 30 AFEERN C#CCCCCCCSC1COC1 901629722 582588907 /nfs/dbraw/zinc/58/89/07/582588907.db2.gz DCMRSEZUHCVYCE-UHFFFAOYSA-N 0 0 198.331 2.702 10 30 AFEERN C=C(C)COc1ccc(C=O)c(C)c1 901621632 582589101 /nfs/dbraw/zinc/58/91/01/582589101.db2.gz YBLYZKYQTDAQNW-UHFFFAOYSA-N 0 0 190.242 2.762 10 30 AFEERN CC#CCCSCc1ccncc1 901629441 582589199 /nfs/dbraw/zinc/58/91/99/582589199.db2.gz ALNFTVGSYZIZGW-UHFFFAOYSA-N 0 0 191.299 2.728 10 30 AFEERN C#CCCSCc1ccc(C)o1 901671826 582590558 /nfs/dbraw/zinc/59/05/58/582590558.db2.gz KONMGSCULJJUHT-UHFFFAOYSA-N 0 0 180.272 2.845 10 30 AFEERN C=C(C)CSC/C=C(/C)COC 901769614 582591590 /nfs/dbraw/zinc/59/15/90/582591590.db2.gz OWDNLCYWIWWYNR-YHYXMXQVSA-N 0 0 186.320 2.888 10 30 AFEERN C=CCSC[C@H]1CC[C@H](C2CC2)O1 901764716 582591602 /nfs/dbraw/zinc/59/16/02/582591602.db2.gz AOOZEXRCWFDKKC-GHMZBOCLSA-N 0 0 198.331 2.863 10 30 AFEERN C=CCSC[C@H]1CC[C@@H](C2CC2)O1 901764717 582591604 /nfs/dbraw/zinc/59/16/04/582591604.db2.gz AOOZEXRCWFDKKC-MNOVXSKESA-N 0 0 198.331 2.863 10 30 AFEERN C=CCCSC/C=C(\C)COC 901766773 582591651 /nfs/dbraw/zinc/59/16/51/582591651.db2.gz QTCXRDSTCLMILM-UXBLZVDNSA-N 0 0 186.320 2.888 10 30 AFEERN C=C(C)CSCc1nn(C)cc1C 901769336 582591696 /nfs/dbraw/zinc/59/16/96/582591696.db2.gz MOTBBTPXAGRPRC-UHFFFAOYSA-N 0 0 196.319 2.538 10 30 AFEERN C=CCSC[C@@H]1CC[C@H](C2CC2)O1 901764719 582591730 /nfs/dbraw/zinc/59/17/30/582591730.db2.gz AOOZEXRCWFDKKC-WDEREUQCSA-N 0 0 198.331 2.863 10 30 AFEERN C=CCCSC/C=C(/C)COC 901766771 582591765 /nfs/dbraw/zinc/59/17/65/582591765.db2.gz QTCXRDSTCLMILM-POHAHGRESA-N 0 0 186.320 2.888 10 30 AFEERN C=CCCSCc1nn(C)cc1C 901765983 582591806 /nfs/dbraw/zinc/59/18/06/582591806.db2.gz KQNFJUQYLZFNNU-UHFFFAOYSA-N 0 0 196.319 2.538 10 30 AFEERN C=CCSC[C@@H]1CC[C@@H](C2CC2)O1 901764718 582591846 /nfs/dbraw/zinc/59/18/46/582591846.db2.gz AOOZEXRCWFDKKC-QWRGUYRKSA-N 0 0 198.331 2.863 10 30 AFEERN C=CCSCc1c(C)noc1CC 901766736 582591910 /nfs/dbraw/zinc/59/19/10/582591910.db2.gz SYKOXNACIARXNQ-UHFFFAOYSA-N 0 0 197.303 2.965 10 30 AFEERN C#CCCCSC/C=C(/C)COC 901773719 582591956 /nfs/dbraw/zinc/59/19/56/582591956.db2.gz AEMSMKRAQAMXEJ-XFFZJAGNSA-N 0 0 198.331 2.726 10 30 AFEERN C=C(C)CSC/C=C(\C)COC 901769613 582592008 /nfs/dbraw/zinc/59/20/08/582592008.db2.gz OWDNLCYWIWWYNR-BJMVGYQFSA-N 0 0 186.320 2.888 10 30 AFEERN C#CCCCSC/C=C(\C)COC 901773721 582592028 /nfs/dbraw/zinc/59/20/28/582592028.db2.gz AEMSMKRAQAMXEJ-YRNVUSSQSA-N 0 0 198.331 2.726 10 30 AFEERN C=C[C@@H](CC)Cc1nc(C(C)C)no1 901954162 582592292 /nfs/dbraw/zinc/59/22/92/582592292.db2.gz DZUGSCQZVZFVEF-VIFPVBQESA-N 0 0 194.278 2.948 10 30 AFEERN CC#CCCSC/C=C(\C)COC 901881309 582592374 /nfs/dbraw/zinc/59/23/74/582592374.db2.gz GISMEPHXWJSISM-YRNVUSSQSA-N 0 0 198.331 2.726 10 30 AFEERN C=C[C@H](CC)Cc1nc(C(C)C)no1 901954044 582592438 /nfs/dbraw/zinc/59/24/38/582592438.db2.gz DZUGSCQZVZFVEF-SECBINFHSA-N 0 0 194.278 2.948 10 30 AFEERN C=C[C@@H](CC)Cc1nc(C2CC2)no1 901915937 582592753 /nfs/dbraw/zinc/59/27/53/582592753.db2.gz FWRCBUDJUSDKBQ-QMMMGPOBSA-N 0 0 192.262 2.702 10 30 AFEERN C=C[C@H](CC)Cc1nc(C2CC2)no1 901915935 582592818 /nfs/dbraw/zinc/59/28/18/582592818.db2.gz FWRCBUDJUSDKBQ-MRVPVSSYSA-N 0 0 192.262 2.702 10 30 AFEERN CC#CCCSC/C=C(/C)COC 901881308 582592902 /nfs/dbraw/zinc/59/29/02/582592902.db2.gz GISMEPHXWJSISM-XFFZJAGNSA-N 0 0 198.331 2.726 10 30 AFEERN CCNc1ccc(C2CC2)c(C#N)c1 902126984 582594025 /nfs/dbraw/zinc/59/40/25/582594025.db2.gz ZIZWKTKLCQNTPM-UHFFFAOYSA-N 0 0 186.258 2.867 10 30 AFEERN CSCC1CCC(C#N)CC1 902296956 582595524 /nfs/dbraw/zinc/59/55/24/582595524.db2.gz KELQQOFXIVTVDB-UHFFFAOYSA-N 0 0 169.293 2.679 10 30 AFEERN C=C(C)CSC[C@H]1C[C@@]12CCOC2 902338890 582596116 /nfs/dbraw/zinc/59/61/16/582596116.db2.gz SPBMGJOXZIOQHP-GHMZBOCLSA-N 0 0 198.331 2.722 10 30 AFEERN CC(F)(F)CCCn1ccc(C#N)c1 902309640 582596156 /nfs/dbraw/zinc/59/61/56/582596156.db2.gz SOAABKZNGRVCSW-UHFFFAOYSA-N 0 0 198.216 2.795 10 30 AFEERN C=C(C)CSC[C@@H]1C[C@]12CCOC2 902338892 582596193 /nfs/dbraw/zinc/59/61/93/582596193.db2.gz SPBMGJOXZIOQHP-QWRGUYRKSA-N 0 0 198.331 2.722 10 30 AFEERN C=C(C)CSC[C@@H]1C[C@@]12CCOC2 902338893 582596276 /nfs/dbraw/zinc/59/62/76/582596276.db2.gz SPBMGJOXZIOQHP-WDEREUQCSA-N 0 0 198.331 2.722 10 30 AFEERN C=C(C)CSC[C@H]1C[C@]12CCOC2 902338891 582596412 /nfs/dbraw/zinc/59/64/12/582596412.db2.gz SPBMGJOXZIOQHP-MNOVXSKESA-N 0 0 198.331 2.722 10 30 AFEERN C=CCCSC[C@H]1C[C@@]12CCOC2 902331354 582596803 /nfs/dbraw/zinc/59/68/03/582596803.db2.gz ZHWZVZSDMHXIJZ-GHMZBOCLSA-N 0 0 198.331 2.722 10 30 AFEERN C=CCSC[C@@H](COC)C(C)C 902324529 582596895 /nfs/dbraw/zinc/59/68/95/582596895.db2.gz LXFYRNZCQPQBBX-SNVBAGLBSA-N 0 0 188.336 2.824 10 30 AFEERN C=CCSCC(F)(F)CC 902325123 582596961 /nfs/dbraw/zinc/59/69/61/582596961.db2.gz POXMQMJXMJMVFX-UHFFFAOYSA-N 0 0 166.236 2.951 10 30 AFEERN C=CCSCc1cc(C)nnc1C 902326842 582597070 /nfs/dbraw/zinc/59/70/70/582597070.db2.gz YFKOOMUPUMDZQB-UHFFFAOYSA-N 0 0 194.303 2.513 10 30 AFEERN C=CCSCCc1ccns1 902324590 582597115 /nfs/dbraw/zinc/59/71/15/582597115.db2.gz GYSDOKCILGLDBS-UHFFFAOYSA-N 0 0 185.317 2.605 10 30 AFEERN C=CCCSC[C@@H]1C[C@]12CCOC2 902331357 582597173 /nfs/dbraw/zinc/59/71/73/582597173.db2.gz ZHWZVZSDMHXIJZ-QWRGUYRKSA-N 0 0 198.331 2.722 10 30 AFEERN C=C(C)CSCc1n[nH]cc1C 902334874 582597188 /nfs/dbraw/zinc/59/71/88/582597188.db2.gz AMHAUQXJWWUPDS-UHFFFAOYSA-N 0 0 182.292 2.527 10 30 AFEERN C=CCSC[C@H](COC)C(C)C 902324527 582597210 /nfs/dbraw/zinc/59/72/10/582597210.db2.gz LXFYRNZCQPQBBX-JTQLQIEISA-N 0 0 188.336 2.824 10 30 AFEERN C=CCCSCc1n[nH]cc1C 902331351 582597280 /nfs/dbraw/zinc/59/72/80/582597280.db2.gz ZFTOBTWECFCABF-UHFFFAOYSA-N 0 0 182.292 2.527 10 30 AFEERN C=CCCSCCc1ccns1 902331290 582597240 /nfs/dbraw/zinc/59/72/40/582597240.db2.gz YURDMHUWSDYGDW-UHFFFAOYSA-N 0 0 199.344 2.995 10 30 AFEERN C=CCCSC[C@H]1C[C@]12CCOC2 902331356 582597272 /nfs/dbraw/zinc/59/72/72/582597272.db2.gz ZHWZVZSDMHXIJZ-MNOVXSKESA-N 0 0 198.331 2.722 10 30 AFEERN C=C(C)CSCCc1ccns1 902336391 582597333 /nfs/dbraw/zinc/59/73/33/582597333.db2.gz GHJXWDIULUPBSS-UHFFFAOYSA-N 0 0 199.344 2.995 10 30 AFEERN C=CCCCSCc1n[nH]cc1C 902324194 582597351 /nfs/dbraw/zinc/59/73/51/582597351.db2.gz ADNQQKPHTRAWPF-UHFFFAOYSA-N 0 0 196.319 2.918 10 30 AFEERN C=CCCSC[C@@H]1C[C@@]12CCOC2 902331359 582597396 /nfs/dbraw/zinc/59/73/96/582597396.db2.gz ZHWZVZSDMHXIJZ-WDEREUQCSA-N 0 0 198.331 2.722 10 30 AFEERN C=C(CC)CSCc1n[nH]cc1C 902357512 582599058 /nfs/dbraw/zinc/59/90/58/582599058.db2.gz TZJXWZUYMRCAJM-UHFFFAOYSA-N 0 0 196.319 2.918 10 30 AFEERN C=C(C)CCSCCOC1CC1 902387564 582599925 /nfs/dbraw/zinc/59/99/25/582599925.db2.gz HJKPATYYERNCJX-UHFFFAOYSA-N 0 0 186.320 2.865 10 30 AFEERN C=C(C)CCSCc1cc[nH]n1 902387110 582600247 /nfs/dbraw/zinc/60/02/47/582600247.db2.gz DXJLUABTETZBPH-UHFFFAOYSA-N 0 0 182.292 2.609 10 30 AFEERN C=C(C)CCSCc1n[nH]cc1C 902387094 582600293 /nfs/dbraw/zinc/60/02/93/582600293.db2.gz DGZBMOCACOQSGV-UHFFFAOYSA-N 0 0 196.319 2.918 10 30 AFEERN C=C(C)CCSCc1nonc1C 902388954 582601189 /nfs/dbraw/zinc/60/11/89/582601189.db2.gz SKTMOJYPRSOGBW-UHFFFAOYSA-N 0 0 198.291 2.577 10 30 AFEERN CC(F)(F)CCCON=CC1CC1 902533016 582609254 /nfs/dbraw/zinc/60/92/54/582609254.db2.gz SUYWQJRCZNOMGS-UHFFFAOYSA-N 0 0 191.221 2.834 10 30 AFEERN C(=NOCc1ccsc1)C1CC1 902531284 582609398 /nfs/dbraw/zinc/60/93/98/582609398.db2.gz GGWZRDFSDSEBLE-UHFFFAOYSA-N 0 0 181.260 2.661 10 30 AFEERN C(=NOCC[C@@H]1C[C@H]1C1CC1)C1CC1 902532265 582609452 /nfs/dbraw/zinc/60/94/52/582609452.db2.gz LMTLNNVHRSRORY-NEPJUHHUSA-N 0 0 193.290 2.835 10 30 AFEERN C=CCCCCCOCc1cn[nH]c1 902588346 582609973 /nfs/dbraw/zinc/60/99/73/582609973.db2.gz LXYMMSOWJRMZEM-UHFFFAOYSA-N 0 0 194.278 2.673 10 30 AFEERN CCCCCCCOCc1cn[nH]c1 902587777 582610295 /nfs/dbraw/zinc/61/02/95/582610295.db2.gz CMKGWBJUIQQXAR-UHFFFAOYSA-N 0 0 196.294 2.897 10 30 AFEERN C#CCCCCCCON=CC1CC1 902763824 582612268 /nfs/dbraw/zinc/61/22/68/582612268.db2.gz JRVSXGLVVHTQFS-UHFFFAOYSA-N 0 0 193.290 2.983 10 30 AFEERN C#CCCCCCCn1cc(C)cn1 902714335 582612486 /nfs/dbraw/zinc/61/24/86/582612486.db2.gz XXZODFKDNOUMAH-UHFFFAOYSA-N 0 0 190.290 2.775 10 30 AFEERN CC(=O)C(C)=NOCCCC(C)(C)C 902760456 582613124 /nfs/dbraw/zinc/61/31/24/582613124.db2.gz HRXGCGQBCXPEKF-UHFFFAOYSA-N 0 0 199.294 2.794 10 30 AFEERN C=CCCCCCON=C(C)C(C)=O 902760469 582613273 /nfs/dbraw/zinc/61/32/73/582613273.db2.gz HYSPYFUQKNDEAE-UHFFFAOYSA-N 0 0 197.278 2.714 10 30 AFEERN CC(=O)C(C)=NOCC1CCCCC1 902760312 582613383 /nfs/dbraw/zinc/61/33/83/582613383.db2.gz DYTXHSAVBJHWNT-UHFFFAOYSA-N 0 0 197.278 2.548 10 30 AFEERN C=C[C@H](CC)CC(=O)O[C@@H](C)C1CC1 904086802 582632129 /nfs/dbraw/zinc/63/21/29/582632129.db2.gz PQHTYJKSYVCWQE-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](CC)CC(=O)O[C@@H](C)C1CC1 904086801 582632228 /nfs/dbraw/zinc/63/22/28/582632228.db2.gz PQHTYJKSYVCWQE-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN CCCCCCN(O)C(=O)CCC 904205889 582632637 /nfs/dbraw/zinc/63/26/37/582632637.db2.gz WUORHLVURLVQDH-UHFFFAOYSA-N 0 0 187.283 2.585 10 30 AFEERN CCCCCCN(O)C(=O)C1(C)CC1 904204507 582632675 /nfs/dbraw/zinc/63/26/75/582632675.db2.gz NCBPRDBDEKCYLM-UHFFFAOYSA-N 0 0 199.294 2.585 10 30 AFEERN CCCCCCN(O)C(=O)C1CCC1 904205857 582632853 /nfs/dbraw/zinc/63/28/53/582632853.db2.gz VTDKIMKAPDHBBO-UHFFFAOYSA-N 0 0 199.294 2.585 10 30 AFEERN C=CCCC(=O)N(O)CCCCCC 904206031 582633287 /nfs/dbraw/zinc/63/32/87/582633287.db2.gz YZVIWEIVSHXOLX-UHFFFAOYSA-N 0 0 199.294 2.751 10 30 AFEERN CCCCN(O)C(=O)CC(C)=C(C)C 904214846 582633960 /nfs/dbraw/zinc/63/39/60/582633960.db2.gz PGOFHRJBSZBZGX-UHFFFAOYSA-N 0 0 199.294 2.751 10 30 AFEERN C=C(C)c1cnc(C2CCOCC2)o1 904794746 582640724 /nfs/dbraw/zinc/64/07/24/582640724.db2.gz CZAHOERHGPSOJZ-UHFFFAOYSA-N 0 0 193.246 2.602 10 30 AFEERN C=C(C)c1ccncc1C1CC1 904795095 582640789 /nfs/dbraw/zinc/64/07/89/582640789.db2.gz OUMUCEQPOQBRPS-UHFFFAOYSA-N 0 0 159.232 2.992 10 30 AFEERN C=C(C)c1ccc2c(c1)NC(=O)C21CC1 904794888 582640950 /nfs/dbraw/zinc/64/09/50/582640950.db2.gz GMRHUQFQSSEBEG-UHFFFAOYSA-N 0 0 199.253 2.703 10 30 AFEERN C=CCOc1cncc(CCC)c1 905097783 582642831 /nfs/dbraw/zinc/64/28/31/582642831.db2.gz WXMDZOBNJXSOKP-UHFFFAOYSA-N 0 0 177.247 2.599 10 30 AFEERN C=CC[S@@](=O)C(CC)(CC)CC 905165266 582644409 /nfs/dbraw/zinc/64/44/09/582644409.db2.gz DYGDUMGCVTZLSA-GFCCVEGCSA-N 0 0 188.336 2.890 10 30 AFEERN C=CC[S@](=O)C(CC)(CC)CC 905165275 582644419 /nfs/dbraw/zinc/64/44/19/582644419.db2.gz DYGDUMGCVTZLSA-LBPRGKRZSA-N 0 0 188.336 2.890 10 30 AFEERN C=CC[S@@](=O)C[C@@H](C)C(C)(C)C 905220851 582645146 /nfs/dbraw/zinc/64/51/46/582645146.db2.gz AAXGCZHOIODNKB-BXKDBHETSA-N 0 0 188.336 2.603 10 30 AFEERN C=CC[S@](=O)C[C@H](C)C(C)(C)C 905220852 582645452 /nfs/dbraw/zinc/64/54/52/582645452.db2.gz AAXGCZHOIODNKB-CABZTGNLSA-N 0 0 188.336 2.603 10 30 AFEERN C=CC[S@@](=O)C[C@H](C)C(C)(C)C 905220853 582645500 /nfs/dbraw/zinc/64/55/00/582645500.db2.gz AAXGCZHOIODNKB-JOYOIKCWSA-N 0 0 188.336 2.603 10 30 AFEERN C=CC[S@](=O)C[C@@H](C)C(C)(C)C 905220854 582645511 /nfs/dbraw/zinc/64/55/11/582645511.db2.gz AAXGCZHOIODNKB-SKDRFNHKSA-N 0 0 188.336 2.603 10 30 AFEERN CCON=C[C@]1(C)[C@@H](C)[C@@]1(F)Cl 905433699 582648776 /nfs/dbraw/zinc/64/87/76/582648776.db2.gz DOFAGYWFGUUGKN-PRJMDXOYSA-N 0 0 193.649 2.569 10 30 AFEERN CCON=C[C@]1(C)[C@H](C)[C@]1(F)Cl 905433701 582648886 /nfs/dbraw/zinc/64/88/86/582648886.db2.gz DOFAGYWFGUUGKN-XLPZGREQSA-N 0 0 193.649 2.569 10 30 AFEERN CCON=C[C@]1(C)[C@H](C)[C@@]1(F)Cl 905433700 582649074 /nfs/dbraw/zinc/64/90/74/582649074.db2.gz DOFAGYWFGUUGKN-RNJXMRFFSA-N 0 0 193.649 2.569 10 30 AFEERN CCON=C[C@]1(C)[C@@H](C)[C@]1(F)Cl 905433698 582649130 /nfs/dbraw/zinc/64/91/30/582649130.db2.gz DOFAGYWFGUUGKN-BWZBUEFSSA-N 0 0 193.649 2.569 10 30 AFEERN CCCCNN=C1C[C@@H]2CCC[C@H]2C1 905441339 582649423 /nfs/dbraw/zinc/64/94/23/582649423.db2.gz ZAULJNFLOIFOHJ-QWRGUYRKSA-N 0 0 194.322 2.942 10 30 AFEERN CCCNN=C1C[C@@H]2CCC[C@H]2C1 905441075 582649426 /nfs/dbraw/zinc/64/94/26/582649426.db2.gz XBEMFTRVHKULRQ-UWVGGRQHSA-N 0 0 180.295 2.552 10 30 AFEERN CC(C)ON=C1C[C@@H]2CCC[C@H]2C1 905477272 582649442 /nfs/dbraw/zinc/64/94/42/582649442.db2.gz QJNCLOZBULKMEQ-UWVGGRQHSA-N 0 0 181.279 2.978 10 30 AFEERN C=CCON=C1C[C@@H]2CCC[C@H]2C1 905475968 582649554 /nfs/dbraw/zinc/64/95/54/582649554.db2.gz MAVAUQUMCUFIHN-UWVGGRQHSA-N 0 0 179.263 2.755 10 30 AFEERN CCCNN=C1C[C@@H]2CCC[C@@H]2C1 905441025 582649600 /nfs/dbraw/zinc/64/96/00/582649600.db2.gz XBEMFTRVHKULRQ-AOOOYVTPSA-N 0 0 180.295 2.552 10 30 AFEERN CCON=C1C[C@@H]2CCC[C@@H]2C1 905433861 582649602 /nfs/dbraw/zinc/64/96/02/582649602.db2.gz GUCVZRUUMYAZIF-DTORHVGOSA-N 0 0 167.252 2.589 10 30 AFEERN CC(C)ON=C1C[C@H]2CCC[C@@H]2C1 905477271 582649627 /nfs/dbraw/zinc/64/96/27/582649627.db2.gz QJNCLOZBULKMEQ-NXEZZACHSA-N 0 0 181.279 2.978 10 30 AFEERN CCO[C@H]1CCCC(=NOC(C)C)C1 905476128 582649636 /nfs/dbraw/zinc/64/96/36/582649636.db2.gz DXAGHLBNSDYWIU-NSHDSACASA-N 0 0 199.294 2.747 10 30 AFEERN CCON=C1C[C@@H]2CCC[C@H]2C1 905433862 582649642 /nfs/dbraw/zinc/64/96/42/582649642.db2.gz GUCVZRUUMYAZIF-IUCAKERBSA-N 0 0 167.252 2.589 10 30 AFEERN CCO[C@@H]1CCCC(=NOC(C)C)C1 905476127 582649652 /nfs/dbraw/zinc/64/96/52/582649652.db2.gz DXAGHLBNSDYWIU-LLVKDONJSA-N 0 0 199.294 2.747 10 30 AFEERN C=CCON=C1C[C@@H]2CCC[C@@H]2C1 905475966 582649654 /nfs/dbraw/zinc/64/96/54/582649654.db2.gz MAVAUQUMCUFIHN-AOOOYVTPSA-N 0 0 179.263 2.755 10 30 AFEERN C=CCON=C1C[C@H]2CCC[C@@H]2C1 905475967 582649669 /nfs/dbraw/zinc/64/96/69/582649669.db2.gz MAVAUQUMCUFIHN-NXEZZACHSA-N 0 0 179.263 2.755 10 30 AFEERN CCCCNN=C1C[C@@H]2CCC[C@@H]2C1 905441338 582649710 /nfs/dbraw/zinc/64/97/10/582649710.db2.gz ZAULJNFLOIFOHJ-PHIMTYICSA-N 0 0 194.322 2.942 10 30 AFEERN CCCCNN=C1C[C@H]2CCC[C@@H]2C1 905441337 582649784 /nfs/dbraw/zinc/64/97/84/582649784.db2.gz ZAULJNFLOIFOHJ-GHMZBOCLSA-N 0 0 194.322 2.942 10 30 AFEERN CC(C)ON=C1C[C@@H]2CCC[C@@H]2C1 905477270 582649797 /nfs/dbraw/zinc/64/97/97/582649797.db2.gz QJNCLOZBULKMEQ-AOOOYVTPSA-N 0 0 181.279 2.978 10 30 AFEERN CCON=C1C[C@H]2CCC[C@@H]2C1 905433863 582649818 /nfs/dbraw/zinc/64/98/18/582649818.db2.gz GUCVZRUUMYAZIF-RKDXNWHRSA-N 0 0 167.252 2.589 10 30 AFEERN CCCNN=C1C[C@H]2CCC[C@@H]2C1 905441073 582649847 /nfs/dbraw/zinc/64/98/47/582649847.db2.gz XBEMFTRVHKULRQ-NXEZZACHSA-N 0 0 180.295 2.552 10 30 AFEERN C=C(C)c1cn(CC2CC2)c(CC)n1 906168580 582654887 /nfs/dbraw/zinc/65/48/87/582654887.db2.gz LTTXTLKKYAAZRI-UHFFFAOYSA-N 0 0 190.290 2.889 10 30 AFEERN C=C(C)c1cccc2c1CCOC2 906169655 582654913 /nfs/dbraw/zinc/65/49/13/582654913.db2.gz ZZZYSSLXFKHRIM-UHFFFAOYSA-N 0 0 174.243 2.792 10 30 AFEERN C=C(C)c1n[nH]c(C)c1C(F)(F)F 906168936 582655134 /nfs/dbraw/zinc/65/51/34/582655134.db2.gz PDTHFFUHZCBIAK-UHFFFAOYSA-N 0 0 190.168 2.770 10 30 AFEERN CC(=NNC12CC(C1)C2)[C@@H]1CC1(C)C 842544795 582665784 /nfs/dbraw/zinc/66/57/84/582665784.db2.gz ZJCZVDCSVNIHKF-YZRBJQDESA-N 0 0 192.306 2.551 10 30 AFEERN CCCCCC[C@@]1(C)O[C@H]1C#N 225230774 582668329 /nfs/dbraw/zinc/66/83/29/582668329.db2.gz YYQMYAAZBPURMF-VHSXEESVSA-N 0 0 167.252 2.638 10 30 AFEERN CCCCCC[C@]1(C)O[C@@H]1C#N 225230882 582668375 /nfs/dbraw/zinc/66/83/75/582668375.db2.gz YYQMYAAZBPURMF-ZJUUUORDSA-N 0 0 167.252 2.638 10 30 AFEERN C=CCCOC(=O)CC1=CCCCC1 730398361 582668914 /nfs/dbraw/zinc/66/89/14/582668914.db2.gz HHHZLRQLECXTMW-UHFFFAOYSA-N 0 0 194.274 2.996 10 30 AFEERN CC(C)(F)CNc1ccc(C#N)cc1 213620476 582669561 /nfs/dbraw/zinc/66/95/61/582669561.db2.gz AZKFUKUSLOROFB-UHFFFAOYSA-N 0 0 192.237 2.718 10 30 AFEERN C[C@@H](F)CCNc1ccc(C#N)cc1 213620753 582669581 /nfs/dbraw/zinc/66/95/81/582669581.db2.gz CPCRGRKHUHLIJV-SECBINFHSA-N 0 0 192.237 2.718 10 30 AFEERN CC(C)ON=Cc1cccc(F)c1F 834999362 582669943 /nfs/dbraw/zinc/66/99/43/582669943.db2.gz AUZLKALLNGEPKT-UHFFFAOYSA-N 0 0 199.200 2.724 10 30 AFEERN CC(=NOC(C)C)c1cnc(C)s1 835000733 582669964 /nfs/dbraw/zinc/66/99/64/582669964.db2.gz ABTCYNDRKGIJGE-UHFFFAOYSA-N 0 0 198.291 2.601 10 30 AFEERN CC[C@H](C)CON=C1C[C@@H](C)O[C@@H]1C 834980545 582669980 /nfs/dbraw/zinc/66/99/80/582669980.db2.gz ADKRAIPYKYDWTA-IVZWLZJFSA-N 0 0 199.294 2.602 10 30 AFEERN C=CC[C@H](C)C(C)=NOC(C)C 834999855 582670011 /nfs/dbraw/zinc/67/00/11/582670011.db2.gz GZQRWZMAEVXGPE-VIFPVBQESA-N 0 0 169.268 3.000 10 30 AFEERN CC[C@H](C)CON=C1C[C@H](C)O[C@@H]1C 834980565 582670016 /nfs/dbraw/zinc/67/00/16/582670016.db2.gz ADKRAIPYKYDWTA-LPEHRKFASA-N 0 0 199.294 2.602 10 30 AFEERN CC(C)ON=C1CC[C@@H](C)C1 834999481 582670108 /nfs/dbraw/zinc/67/01/08/582670108.db2.gz BMBPXNATTMQKKG-MRVPVSSYSA-N 0 0 155.241 2.587 10 30 AFEERN CC(C)ON=C1CC[C@@H]1C1CC1 834999497 582670111 /nfs/dbraw/zinc/67/01/11/582670111.db2.gz BOXRZIQTFCULDH-SECBINFHSA-N 0 0 167.252 2.587 10 30 AFEERN CC(CC(F)(F)F)=NOC(C)C 835003063 582670159 /nfs/dbraw/zinc/67/01/59/582670159.db2.gz VNBRTCBUHVEZNS-UHFFFAOYSA-N 0 0 183.173 2.740 10 30 AFEERN CC[C@H](C)CON=C1C[C@H](C)O[C@H]1C 834980543 582670162 /nfs/dbraw/zinc/67/01/62/582670162.db2.gz ADKRAIPYKYDWTA-GUBZILKMSA-N 0 0 199.294 2.602 10 30 AFEERN CC(C)ON=C1CC[C@H]1C1CC1 834999501 582670163 /nfs/dbraw/zinc/67/01/63/582670163.db2.gz BOXRZIQTFCULDH-VIFPVBQESA-N 0 0 167.252 2.587 10 30 AFEERN CCC(=NOC(C)C)C1CC1 834999578 582670177 /nfs/dbraw/zinc/67/01/77/582670177.db2.gz DGOCGRHOBLTPJP-UHFFFAOYSA-N 0 0 155.241 2.587 10 30 AFEERN C=CC[C@@H](C)C(C)=NOC(C)C 834999853 582670226 /nfs/dbraw/zinc/67/02/26/582670226.db2.gz GZQRWZMAEVXGPE-SECBINFHSA-N 0 0 169.268 3.000 10 30 AFEERN Cc1sccc1C=NOC(C)C 834999393 582670250 /nfs/dbraw/zinc/67/02/50/582670250.db2.gz AKIIYRUZFGJDSO-UHFFFAOYSA-N 0 0 183.276 2.815 10 30 AFEERN Cc1ccc(F)cc1C=NOC(C)C 835000893 582670277 /nfs/dbraw/zinc/67/02/77/582670277.db2.gz AEYPEYLKEBOBBR-UHFFFAOYSA-N 0 0 195.237 2.893 10 30 AFEERN CC(C)ON=C1CC[C@H](C)C1 834999487 582670361 /nfs/dbraw/zinc/67/03/61/582670361.db2.gz BMBPXNATTMQKKG-QMMMGPOBSA-N 0 0 155.241 2.587 10 30 AFEERN Cc1cc(C=NOC(C)C)cs1 835002073 582670391 /nfs/dbraw/zinc/67/03/91/582670391.db2.gz MAZMENHOVUPZTD-UHFFFAOYSA-N 0 0 183.276 2.815 10 30 AFEERN CCC(=NOCC1CC1)C1CCC1 834981824 582670422 /nfs/dbraw/zinc/67/04/22/582670422.db2.gz BLORIBZWCHKVQI-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN CC(C)ON=C1CCOC2(CCC2)C1 834999868 582670469 /nfs/dbraw/zinc/67/04/69/582670469.db2.gz FJCJQZKVQOGEQB-UHFFFAOYSA-N 0 0 197.278 2.501 10 30 AFEERN C=CCON=C[C@H]1CC[C@@H](C)C1 835013102 582670529 /nfs/dbraw/zinc/67/05/29/582670529.db2.gz HPQQFFRUJAPDME-ZJUUUORDSA-N 0 0 167.252 2.611 10 30 AFEERN CC(Cc1ccoc1)=NOC(C)C 835003353 582670586 /nfs/dbraw/zinc/67/05/86/582670586.db2.gz ZPXRKZJJIKHMPT-UHFFFAOYSA-N 0 0 181.235 2.623 10 30 AFEERN C=CCCC(C)=NOCC=C 835012934 582670676 /nfs/dbraw/zinc/67/06/76/582670676.db2.gz ARCHWDDQXIAGOS-UHFFFAOYSA-N 0 0 153.225 2.531 10 30 AFEERN C=CCON=C[C@@H]1CC[C@@H](C)C1 835013099 582670694 /nfs/dbraw/zinc/67/06/94/582670694.db2.gz HPQQFFRUJAPDME-NXEZZACHSA-N 0 0 167.252 2.611 10 30 AFEERN C=CCON=C[C@H]1CC[C@H](C)C1 835013100 582670707 /nfs/dbraw/zinc/67/07/07/582670707.db2.gz HPQQFFRUJAPDME-UWVGGRQHSA-N 0 0 167.252 2.611 10 30 AFEERN C=CCON=C(C)CCC1CC1 835012974 582670728 /nfs/dbraw/zinc/67/07/28/582670728.db2.gz CKJORAHVJIJIAX-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN C=CCON=C[C@@H]1CC[C@H](C)C1 835013101 582670831 /nfs/dbraw/zinc/67/08/31/582670831.db2.gz HPQQFFRUJAPDME-VHSXEESVSA-N 0 0 167.252 2.611 10 30 AFEERN CC(=NOC(C)C)c1ccsc1 835003948 582670916 /nfs/dbraw/zinc/67/09/16/582670916.db2.gz DBMXTUMBMFWWOR-UHFFFAOYSA-N 0 0 183.276 2.897 10 30 AFEERN Cc1ccsc1C=NOC(C)C 835003818 582670978 /nfs/dbraw/zinc/67/09/78/582670978.db2.gz DRQBPBOAMVEZFK-UHFFFAOYSA-N 0 0 183.276 2.815 10 30 AFEERN C=CCON=C(C)C1CCSCC1 835013030 582671008 /nfs/dbraw/zinc/67/10/08/582671008.db2.gz FATRRQVBTGREBZ-UHFFFAOYSA-N 0 0 199.319 2.708 10 30 AFEERN C=CCON=C1CC(C(C)C)C1 835014533 582671097 /nfs/dbraw/zinc/67/10/97/582671097.db2.gz IMJFRDYKCYITKB-UHFFFAOYSA-N 0 0 167.252 2.611 10 30 AFEERN C=CCON=C(C)c1ccc(C)s1 835014850 582671969 /nfs/dbraw/zinc/67/19/69/582671969.db2.gz ARZJDYIGTRVRMX-UHFFFAOYSA-N 0 0 195.287 2.983 10 30 AFEERN C=CCON=C(C)c1csc(C)c1 835014378 582672020 /nfs/dbraw/zinc/67/20/20/582672020.db2.gz GMVDZDPFUOUSSI-UHFFFAOYSA-N 0 0 195.287 2.983 10 30 AFEERN C=CCON=C1CC[C@H]1C(C)C 835014562 582672063 /nfs/dbraw/zinc/67/20/63/582672063.db2.gz IVUIJLQZZAJKGK-VIFPVBQESA-N 0 0 167.252 2.611 10 30 AFEERN C=CCON=C(C)CC1(OC)CCC1 835014621 582672099 /nfs/dbraw/zinc/67/20/99/582672099.db2.gz JUAHLIRFZZUOFK-UHFFFAOYSA-N 0 0 197.278 2.524 10 30 AFEERN C=CCON=C1CCCc2occc21 835014384 582672315 /nfs/dbraw/zinc/67/23/15/582672315.db2.gz GNPOTQRJACTNJI-UHFFFAOYSA-N 0 0 191.230 2.523 10 30 AFEERN C=CCON=C1CC[C@@H]1C(C)C 835014559 582672386 /nfs/dbraw/zinc/67/23/86/582672386.db2.gz IVUIJLQZZAJKGK-SECBINFHSA-N 0 0 167.252 2.611 10 30 AFEERN C=C1CCN(C(=O)/C=C/CCC)CC1 731196601 582672880 /nfs/dbraw/zinc/67/28/80/582672880.db2.gz GTKIZCQFJRWKPZ-AATRIKPKSA-N 0 0 193.290 2.521 10 30 AFEERN C=C1CCN(C(=O)/C=C\CCC)CC1 731196602 582673203 /nfs/dbraw/zinc/67/32/03/582673203.db2.gz GTKIZCQFJRWKPZ-WAYWQWQTSA-N 0 0 193.290 2.521 10 30 AFEERN CC(C)CCN=Nc1ccc(F)cn1 731317798 582673737 /nfs/dbraw/zinc/67/37/37/582673737.db2.gz CVPLMNVAWCMVIZ-UHFFFAOYSA-N 0 0 195.241 2.665 10 30 AFEERN C=CC(C)(C)C(=O)OCC1(C)CC1 835376268 582674197 /nfs/dbraw/zinc/67/41/97/582674197.db2.gz SIOWRXXSBKKDPT-UHFFFAOYSA-N 0 0 182.263 2.542 10 30 AFEERN COCC(C)(C)C=NOC1CCCC1 754959701 582674928 /nfs/dbraw/zinc/67/49/28/582674928.db2.gz AACZDMJLXRWGIC-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN C#CC[N@@H+](CC=C)CC1CCCCC1 732666736 582676089 /nfs/dbraw/zinc/67/60/89/582676089.db2.gz BLKDNZJKKNZDPV-UHFFFAOYSA-N 0 0 191.318 2.688 10 30 AFEERN C=CCCN(C)c1nc(CC)cs1 393708136 582676399 /nfs/dbraw/zinc/67/63/99/582676399.db2.gz BKVVNCYBZXQXHR-UHFFFAOYSA-N 0 0 196.319 2.718 10 30 AFEERN C#CCC(C)(C)C(=O)OCC(=C)CC 767647930 582678114 /nfs/dbraw/zinc/67/81/14/582678114.db2.gz CQHZSUYLYCFOEP-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN CCCON=C1CCC[C@@H]2C[C@]12C 842550469 582678395 /nfs/dbraw/zinc/67/83/95/582678395.db2.gz GPWUMCUCHLHLHK-KOLCDFICSA-N 0 0 181.279 2.979 10 30 AFEERN C#C[C@@H](CC)OC(=O)/C=C(/C)CCC 768059047 582678403 /nfs/dbraw/zinc/67/84/03/582678403.db2.gz KWGXNMNYSBJNSQ-JUDLJHIGSA-N 0 0 194.274 2.688 10 30 AFEERN CCCON=C1CC[C@@H]1CC 842550442 582678435 /nfs/dbraw/zinc/67/84/35/582678435.db2.gz GCHAJJBTZHNQQK-QMMMGPOBSA-N 0 0 155.241 2.589 10 30 AFEERN C#C[C@@H](CC)OC(=O)CCC1CCC1 768048164 582678451 /nfs/dbraw/zinc/67/84/51/582678451.db2.gz IOLLDBZJXJXAQL-NSHDSACASA-N 0 0 194.274 2.522 10 30 AFEERN CCCON=C1CCC[C@H]2C[C@@H]12 842550490 582678476 /nfs/dbraw/zinc/67/84/76/582678476.db2.gz GSDJMTLYFQHXSZ-DTWKUNHWSA-N 0 0 167.252 2.589 10 30 AFEERN CCCON=CCCCSC 842550389 582678762 /nfs/dbraw/zinc/67/87/62/582678762.db2.gz FKNBNHHJUNXWCU-UHFFFAOYSA-N 0 0 175.297 2.542 10 30 AFEERN CCCON=C1CCC[C@H]2C[C@@]12C 842550459 582678508 /nfs/dbraw/zinc/67/85/08/582678508.db2.gz GPWUMCUCHLHLHK-GXSJLCMTSA-N 0 0 181.279 2.979 10 30 AFEERN C#C[C@@H](CC)OC(=O)/C=C(\C)CCC 768059102 582678562 /nfs/dbraw/zinc/67/85/62/582678562.db2.gz KWGXNMNYSBJNSQ-USKTWTLRSA-N 0 0 194.274 2.688 10 30 AFEERN C#C[C@H](CC)OC(=O)/C=C(\C)CCC 768059066 582678612 /nfs/dbraw/zinc/67/86/12/582678612.db2.gz KWGXNMNYSBJNSQ-PBQZMEPESA-N 0 0 194.274 2.688 10 30 AFEERN CCCON=C(C)[C@H]1CC1(C)C 842550499 582678627 /nfs/dbraw/zinc/67/86/27/582678627.db2.gz GWTOKJFJXVJQNI-SECBINFHSA-N 0 0 169.268 2.835 10 30 AFEERN C#C[C@H](CC)OC(=O)CCC1CCC1 768048147 582678785 /nfs/dbraw/zinc/67/87/85/582678785.db2.gz IOLLDBZJXJXAQL-LLVKDONJSA-N 0 0 194.274 2.522 10 30 AFEERN CCCON=C(C)[C@@H]1CC1(C)C 842550505 582678802 /nfs/dbraw/zinc/67/88/02/582678802.db2.gz GWTOKJFJXVJQNI-VIFPVBQESA-N 0 0 169.268 2.835 10 30 AFEERN C#C[C@H](CC)OC(=O)/C=C(/C)CCC 768059036 582678861 /nfs/dbraw/zinc/67/88/61/582678861.db2.gz KWGXNMNYSBJNSQ-DWOQACPDSA-N 0 0 194.274 2.688 10 30 AFEERN CCCON=C1CC[C@H]1CC 842550441 582678893 /nfs/dbraw/zinc/67/88/93/582678893.db2.gz GCHAJJBTZHNQQK-MRVPVSSYSA-N 0 0 155.241 2.589 10 30 AFEERN CCC[C@@H](C)CC(=O)O[C@H](C)CC#N 733708220 582679259 /nfs/dbraw/zinc/67/92/59/582679259.db2.gz ODURDJDTWJVOCD-NXEZZACHSA-N 0 0 197.278 2.658 10 30 AFEERN CCCON=C1CCC[C@@H]1CCOC 842550580 582679327 /nfs/dbraw/zinc/67/93/27/582679327.db2.gz IBOZFCLORGJTRH-SNVBAGLBSA-N 0 0 199.294 2.606 10 30 AFEERN CCC[C@@H](C)CC(=O)O[C@@H](C)CC#N 733708223 582679342 /nfs/dbraw/zinc/67/93/42/582679342.db2.gz ODURDJDTWJVOCD-ZJUUUORDSA-N 0 0 197.278 2.658 10 30 AFEERN C=CCCC(=O)OCc1ccoc1C 733701191 582679375 /nfs/dbraw/zinc/67/93/75/582679375.db2.gz AHQNTCLPZFOHGY-UHFFFAOYSA-N 0 0 194.230 2.597 10 30 AFEERN CCC[C@H](C)CC(=O)O[C@H](C)CC#N 733708222 582679543 /nfs/dbraw/zinc/67/95/43/582679543.db2.gz ODURDJDTWJVOCD-VHSXEESVSA-N 0 0 197.278 2.658 10 30 AFEERN CCC[C@H](C)CC(=O)O[C@@H](C)CC#N 733708221 582679577 /nfs/dbraw/zinc/67/95/77/582679577.db2.gz ODURDJDTWJVOCD-UWVGGRQHSA-N 0 0 197.278 2.658 10 30 AFEERN CCCON=C1CCC[C@H]1CCOC 842550579 582679570 /nfs/dbraw/zinc/67/95/70/582679570.db2.gz IBOZFCLORGJTRH-JTQLQIEISA-N 0 0 199.294 2.606 10 30 AFEERN CCC/C(C)=C/C(=O)O[C@H](C)CC#N 733710899 582679959 /nfs/dbraw/zinc/67/99/59/582679959.db2.gz MGWWCZZFTCDKJE-AAXQSMANSA-N 0 0 195.262 2.578 10 30 AFEERN CCC/C(C)=C\C(=O)O[C@H](C)CC#N 733710902 582680206 /nfs/dbraw/zinc/68/02/06/582680206.db2.gz MGWWCZZFTCDKJE-HSTULFTRSA-N 0 0 195.262 2.578 10 30 AFEERN CCCCCCC(=O)O[C@@H](C)CC#N 733709557 582680251 /nfs/dbraw/zinc/68/02/51/582680251.db2.gz IIEYBFRMCTUWSQ-JTQLQIEISA-N 0 0 197.278 2.802 10 30 AFEERN CCC/C(C)=C/C(=O)O[C@@H](C)CC#N 733710901 582680350 /nfs/dbraw/zinc/68/03/50/582680350.db2.gz MGWWCZZFTCDKJE-DDXVTDLHSA-N 0 0 195.262 2.578 10 30 AFEERN CCC/C(C)=C\C(=O)O[C@@H](C)CC#N 733710904 582680624 /nfs/dbraw/zinc/68/06/24/582680624.db2.gz MGWWCZZFTCDKJE-QROTZFDESA-N 0 0 195.262 2.578 10 30 AFEERN CCCCCCC(=O)O[C@H](C)CC#N 733709558 582680659 /nfs/dbraw/zinc/68/06/59/582680659.db2.gz IIEYBFRMCTUWSQ-SNVBAGLBSA-N 0 0 197.278 2.802 10 30 AFEERN CCCON=C[C@@H]1CCO[C@H](CC)C1 842551432 582681727 /nfs/dbraw/zinc/68/17/27/582681727.db2.gz AMTHMVLQZFJDFV-GHMZBOCLSA-N 0 0 199.294 2.604 10 30 AFEERN CCCON=C[C@@H]1CCO[C@@H](CC)C1 842551441 582681729 /nfs/dbraw/zinc/68/17/29/582681729.db2.gz AMTHMVLQZFJDFV-MNOVXSKESA-N 0 0 199.294 2.604 10 30 AFEERN CCCON=C[C@H]1CCO[C@@H](CC)C1 842551449 582682233 /nfs/dbraw/zinc/68/22/33/582682233.db2.gz AMTHMVLQZFJDFV-QWRGUYRKSA-N 0 0 199.294 2.604 10 30 AFEERN CCCON=C[C@H]1CCO[C@H](CC)C1 842551460 582682267 /nfs/dbraw/zinc/68/22/67/582682267.db2.gz AMTHMVLQZFJDFV-WDEREUQCSA-N 0 0 199.294 2.604 10 30 AFEERN CCCON=Cc1csc(C)c1 842551300 582682474 /nfs/dbraw/zinc/68/24/74/582682474.db2.gz QBQHASDVQWNCKE-UHFFFAOYSA-N 0 0 183.276 2.817 10 30 AFEERN C=CC[C@@H](C)NC(=O)/C=C\C(C)(C)C 735066659 582683093 /nfs/dbraw/zinc/68/30/93/582683093.db2.gz UVHNORUJDBUIIX-HSTULFTRSA-N 0 0 195.306 2.670 10 30 AFEERN C=CC[C@H](C)NC(=O)/C=C/C(C)(C)C 735066658 582683249 /nfs/dbraw/zinc/68/32/49/582683249.db2.gz UVHNORUJDBUIIX-DDXVTDLHSA-N 0 0 195.306 2.670 10 30 AFEERN C#CCCCOC(=O)/C=C\C(C)(C)C 735206704 582683353 /nfs/dbraw/zinc/68/33/53/582683353.db2.gz CGBPFPHPHQHXSR-HJWRWDBZSA-N 0 0 194.274 2.545 10 30 AFEERN C=CC[C@@H](C)NC(=O)/C=C/C(C)(C)C 735066657 582683425 /nfs/dbraw/zinc/68/34/25/582683425.db2.gz UVHNORUJDBUIIX-AAXQSMANSA-N 0 0 195.306 2.670 10 30 AFEERN C=CC[C@H](C)NC(=O)/C=C\C(C)(C)C 735066660 582683428 /nfs/dbraw/zinc/68/34/28/582683428.db2.gz UVHNORUJDBUIIX-QROTZFDESA-N 0 0 195.306 2.670 10 30 AFEERN C#CCCCOC(=O)/C=C/C(C)(C)C 735206703 582683457 /nfs/dbraw/zinc/68/34/57/582683457.db2.gz CGBPFPHPHQHXSR-CMDGGOBGSA-N 0 0 194.274 2.545 10 30 AFEERN CCCON=C1C[C@@](C)(OC)C1(C)C 842551782 582683759 /nfs/dbraw/zinc/68/37/59/582683759.db2.gz DDTULLXSGSKGDV-LLVKDONJSA-N 0 0 199.294 2.604 10 30 AFEERN C=CCCCOC(=O)[C@@H]1CC=CCC1 735526708 582683895 /nfs/dbraw/zinc/68/38/95/582683895.db2.gz AEADWDZFFLDLOK-LLVKDONJSA-N 0 0 194.274 2.852 10 30 AFEERN Fc1ccc(CON=C2CCC2)cc1 735489637 582683909 /nfs/dbraw/zinc/68/39/09/582683909.db2.gz AINYILFVILVZAB-UHFFFAOYSA-N 0 0 193.221 2.882 10 30 AFEERN CCCON=Cc1cc(F)cc(F)c1 842551796 582683940 /nfs/dbraw/zinc/68/39/40/582683940.db2.gz DHPXJURGTZHMQV-UHFFFAOYSA-N 0 0 199.200 2.725 10 30 AFEERN CCCCCN=Nc1ccc(C)cn1 755689570 582683990 /nfs/dbraw/zinc/68/39/90/582683990.db2.gz QICLTUIORJFTHM-UHFFFAOYSA-N 0 0 191.278 2.978 10 30 AFEERN C=CCCCOC(=O)C[C@H](C)C1CC1 735531643 582683998 /nfs/dbraw/zinc/68/39/98/582683998.db2.gz BKBKRNKRCIMQOS-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN CCCON=C1C[C@](C)(OC)C1(C)C 842551787 582684046 /nfs/dbraw/zinc/68/40/46/582684046.db2.gz DDTULLXSGSKGDV-NSHDSACASA-N 0 0 199.294 2.604 10 30 AFEERN C=CCCCOC(=O)/C=C(\C)C1CC1 735529939 582684177 /nfs/dbraw/zinc/68/41/77/582684177.db2.gz AEGYOHVZSFBTID-MDZDMXLPSA-N 0 0 194.274 2.852 10 30 AFEERN Fc1ccccc1CON=C1CCC1 735489664 582684180 /nfs/dbraw/zinc/68/41/80/582684180.db2.gz BCBCPSDZUSLBHJ-UHFFFAOYSA-N 0 0 193.221 2.882 10 30 AFEERN C=CCCCOC(=O)[C@H]1CC=CCC1 735526710 582684253 /nfs/dbraw/zinc/68/42/53/582684253.db2.gz AEADWDZFFLDLOK-NSHDSACASA-N 0 0 194.274 2.852 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@H]1C[C@@H]1C1CC1 816005025 582684385 /nfs/dbraw/zinc/68/43/85/582684385.db2.gz XKLKUPDBJUISRM-AXFHLTTASA-N 0 0 194.274 2.540 10 30 AFEERN C=CCCCOC(=O)C[C@@H](C)C1CC1 735531644 582684513 /nfs/dbraw/zinc/68/45/13/582684513.db2.gz BKBKRNKRCIMQOS-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCCOC(=O)/C=C(/C)C1CC1 735529938 582684552 /nfs/dbraw/zinc/68/45/52/582684552.db2.gz AEGYOHVZSFBTID-KTKRTIGZSA-N 0 0 194.274 2.852 10 30 AFEERN CCCON=C1CC[C@H]1C(C)C 842552077 582684714 /nfs/dbraw/zinc/68/47/14/582684714.db2.gz XMBPPOVMCPLLQQ-VIFPVBQESA-N 0 0 169.268 2.835 10 30 AFEERN CCCON=C1CC[C@@H]1C(C)C 842552070 582684914 /nfs/dbraw/zinc/68/49/14/582684914.db2.gz XMBPPOVMCPLLQQ-SECBINFHSA-N 0 0 169.268 2.835 10 30 AFEERN C#CCC1(OC(=O)CC(C)C)CCC1 788072133 582685585 /nfs/dbraw/zinc/68/55/85/582685585.db2.gz LFOFRQZMNFCEPY-UHFFFAOYSA-N 0 0 194.274 2.522 10 30 AFEERN CCCON=C(C)c1cnc(C)s1 842552758 582685821 /nfs/dbraw/zinc/68/58/21/582685821.db2.gz GERVCAYSZKSQJM-UHFFFAOYSA-N 0 0 198.291 2.602 10 30 AFEERN C#CCC1(OC(=O)CCCC)CCC1 788075322 582686487 /nfs/dbraw/zinc/68/64/87/582686487.db2.gz VMHCELLDJKRSQY-UHFFFAOYSA-N 0 0 194.274 2.666 10 30 AFEERN CCCON=CC(C)(C)CCC#N 842553018 582686810 /nfs/dbraw/zinc/68/68/10/582686810.db2.gz GUQOVWQHJGDPHU-UHFFFAOYSA-N 0 0 182.267 2.729 10 30 AFEERN CCCON=CC1(C)CCC1 842553586 582686975 /nfs/dbraw/zinc/68/69/75/582686975.db2.gz JDTSEONPXGSFIK-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C[C@H]1C=CCC1 755994276 582688810 /nfs/dbraw/zinc/68/88/10/582688810.db2.gz DGSLTQNUWDMEPS-MNOVXSKESA-N 0 0 194.274 2.851 10 30 AFEERN C=CCCCN(C)C(=O)/C=C/C=C\C 736516698 582687917 /nfs/dbraw/zinc/68/79/17/582687917.db2.gz CQQORKNAHAFPKE-YUFRWXHNSA-N 0 0 193.290 2.543 10 30 AFEERN Cc1ccnc(N=NCCC(C)C)c1 755905196 582687752 /nfs/dbraw/zinc/68/77/52/582687752.db2.gz HBRBJBASPHZBBP-UHFFFAOYSA-N 0 0 191.278 2.834 10 30 AFEERN C=CCCCN(C)C(=O)/C(C)=C\CC 736526639 582687906 /nfs/dbraw/zinc/68/79/06/582687906.db2.gz SFLXRKRKVIEHQM-LUAWRHEFSA-N 0 0 195.306 2.767 10 30 AFEERN Cc1ccnc(N=NC(C)C(C)C)c1 755904473 582687984 /nfs/dbraw/zinc/68/79/84/582687984.db2.gz CETSQSXQZFSNNW-UHFFFAOYSA-N 0 0 191.278 2.834 10 30 AFEERN C=CCCCN(C)C(=O)/C=C/C=C/C 736516696 582687985 /nfs/dbraw/zinc/68/79/85/582687985.db2.gz CQQORKNAHAFPKE-ONNLMXTPSA-N 0 0 193.290 2.543 10 30 AFEERN C=CCCCN(C)C(=O)/C(C)=C/CC 736526642 582688087 /nfs/dbraw/zinc/68/80/87/582688087.db2.gz SFLXRKRKVIEHQM-PKNBQFBNSA-N 0 0 195.306 2.767 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H]1CC12CCC2 755993923 582688970 /nfs/dbraw/zinc/68/89/70/582688970.db2.gz CCBGDZGRIZVCKF-VHSXEESVSA-N 0 0 194.274 2.684 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@H]1CC12CCC2 755993902 582689028 /nfs/dbraw/zinc/68/90/28/582689028.db2.gz CCBGDZGRIZVCKF-NXEZZACHSA-N 0 0 194.274 2.684 10 30 AFEERN C=CCCCN(C)c1cccc(F)n1 736604573 582689042 /nfs/dbraw/zinc/68/90/42/582689042.db2.gz JUYJXFRAHJVUBX-UHFFFAOYSA-N 0 0 194.253 2.623 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@H]1C=CCC1 755994284 582689087 /nfs/dbraw/zinc/68/90/87/582689087.db2.gz DGSLTQNUWDMEPS-QWRGUYRKSA-N 0 0 194.274 2.851 10 30 AFEERN C=CCCCN(C)C(=O)/C=C/CCC 736577805 582689094 /nfs/dbraw/zinc/68/90/94/582689094.db2.gz MOLJQKRAQDMZJM-CSKARUKUSA-N 0 0 195.306 2.767 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1CC12CCC2 755993929 582689106 /nfs/dbraw/zinc/68/91/06/582689106.db2.gz CCBGDZGRIZVCKF-ZJUUUORDSA-N 0 0 194.274 2.684 10 30 AFEERN CCCON=CCc1ccc(F)cc1 842555507 582689287 /nfs/dbraw/zinc/68/92/87/582689287.db2.gz CHFDPMZMEBRWDF-UHFFFAOYSA-N 0 0 195.237 2.781 10 30 AFEERN CCCON=CC1CCCC1 842555511 582689324 /nfs/dbraw/zinc/68/93/24/582689324.db2.gz CHFMKZXAXKHHGR-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1CC12CCC2 755993918 582689439 /nfs/dbraw/zinc/68/94/39/582689439.db2.gz CCBGDZGRIZVCKF-UWVGGRQHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C[C@@H]1C=CCC1 755994267 582689464 /nfs/dbraw/zinc/68/94/64/582689464.db2.gz DGSLTQNUWDMEPS-GHMZBOCLSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@@H]1C=CCC1 755994300 582689529 /nfs/dbraw/zinc/68/95/29/582689529.db2.gz DGSLTQNUWDMEPS-WDEREUQCSA-N 0 0 194.274 2.851 10 30 AFEERN C=CCCCN(C)C(=O)/C=C\CCC 736577806 582689576 /nfs/dbraw/zinc/68/95/76/582689576.db2.gz MOLJQKRAQDMZJM-NTMALXAHSA-N 0 0 195.306 2.767 10 30 AFEERN C#CCCCCC(=O)OC/C=C/CC 773760425 582697051 /nfs/dbraw/zinc/69/70/51/582697051.db2.gz ABUKUDOFLNMPIJ-RMKNXTFCSA-N 0 0 194.274 2.689 10 30 AFEERN C#CCCCCC(=O)O[C@@H](C)C1CC1 773773667 582697066 /nfs/dbraw/zinc/69/70/66/582697066.db2.gz UQZDMSNPWYENFH-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCCCC(=O)OCC(C)(C)C 773769712 582697226 /nfs/dbraw/zinc/69/72/26/582697226.db2.gz BJWIMPDRZVGRBW-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCCCCC(=O)OC/C=C\CC 773760639 582697492 /nfs/dbraw/zinc/69/74/92/582697492.db2.gz ABUKUDOFLNMPIJ-TWGQIWQCSA-N 0 0 194.274 2.689 10 30 AFEERN Cc1occc1SCCCC#N 227551558 582698426 /nfs/dbraw/zinc/69/84/26/582698426.db2.gz HUCIPYYTYHZGIX-UHFFFAOYSA-N 0 0 181.260 2.984 10 30 AFEERN Cc1ccc(SCCC=O)cc1 19686137 582703304 /nfs/dbraw/zinc/70/33/04/582703304.db2.gz PFJLRBLSBTUQSP-UHFFFAOYSA-N 0 0 180.272 2.676 10 30 AFEERN Cc1cccc(SCCC=O)c1 19686193 582703310 /nfs/dbraw/zinc/70/33/10/582703310.db2.gz SZQYUCYMZCFOBL-UHFFFAOYSA-N 0 0 180.272 2.676 10 30 AFEERN Cc1ccc(SCCC=O)cc1C 19686147 582702815 /nfs/dbraw/zinc/70/28/15/582702815.db2.gz OAHJIOIVMZYGQZ-UHFFFAOYSA-N 0 0 194.299 2.985 10 30 AFEERN Cc1ccc(C)c(SCCC=O)c1 19686151 582703346 /nfs/dbraw/zinc/70/33/46/582703346.db2.gz RYCHLOVYPRYHFV-UHFFFAOYSA-N 0 0 194.299 2.985 10 30 AFEERN C=C(C)C[C@H](C)C(=O)NCCCC 164744732 582705080 /nfs/dbraw/zinc/70/50/80/582705080.db2.gz ZQGDNHVFEJCLIJ-JTQLQIEISA-N 0 0 183.295 2.505 10 30 AFEERN C=C(C)CCOc1ccc(CO)cc1 167995664 582706623 /nfs/dbraw/zinc/70/66/23/582706623.db2.gz NGYUJAHORSCKMC-UHFFFAOYSA-N 0 0 192.258 2.524 10 30 AFEERN C#C[C@H](CCC)C(C)C 201891395 582707192 /nfs/dbraw/zinc/70/71/92/582707192.db2.gz GYXJAICGWBKOQL-SECBINFHSA-N 0 0 124.227 2.692 10 30 AFEERN C#C[C@@H](CCC)C(C)C 201891420 582707245 /nfs/dbraw/zinc/70/72/45/582707245.db2.gz GYXJAICGWBKOQL-VIFPVBQESA-N 0 0 124.227 2.692 10 30 AFEERN Cc1cccc(S[C@@H](C)C=O)c1 201457707 582707752 /nfs/dbraw/zinc/70/77/52/582707752.db2.gz KHYXJKSLHAQABT-VIFPVBQESA-N 0 0 180.272 2.675 10 30 AFEERN C=Cc1cc(C)ccc1C#N 197060363 582714249 /nfs/dbraw/zinc/71/42/49/582714249.db2.gz ASOPLOHSDZHOLL-UHFFFAOYSA-N 0 0 143.189 2.510 10 30 AFEERN C=C(Cl)COC(=O)/C=C(\C)CC 838035693 582716020 /nfs/dbraw/zinc/71/60/20/582716020.db2.gz BSTVPUHNOKOFBK-FNORWQNLSA-N 0 0 188.654 2.638 10 30 AFEERN C=C(Cl)COC(=O)/C=C(/C)CC 838035692 582716283 /nfs/dbraw/zinc/71/62/83/582716283.db2.gz BSTVPUHNOKOFBK-ALCCZGGFSA-N 0 0 188.654 2.638 10 30 AFEERN CCC[C@@H](CC(C)C)C(=O)OCC#N 838250217 582717890 /nfs/dbraw/zinc/71/78/90/582717890.db2.gz HGAPZUCEFJEDOK-JTQLQIEISA-N 0 0 197.278 2.516 10 30 AFEERN C=C(C)COC(=O)C(C)=C1CCC1 838232049 582716820 /nfs/dbraw/zinc/71/68/20/582716820.db2.gz CFNLIWVCJJFHGD-UHFFFAOYSA-N 0 0 180.247 2.606 10 30 AFEERN C=C(CC)COC(=O)C(C)=C1CCC1 838235331 582717049 /nfs/dbraw/zinc/71/70/49/582717049.db2.gz GASMUPWRVMOMKC-UHFFFAOYSA-N 0 0 194.274 2.996 10 30 AFEERN CCC[C@H](CC(C)C)C(=O)OCC#N 838250218 582717857 /nfs/dbraw/zinc/71/78/57/582717857.db2.gz HGAPZUCEFJEDOK-SNVBAGLBSA-N 0 0 197.278 2.516 10 30 AFEERN CCC(CC)OC(=O)C#CC(C)(C)C 838371227 582718623 /nfs/dbraw/zinc/71/86/23/582718623.db2.gz HAKZKIWRINQZIP-UHFFFAOYSA-N 0 0 196.290 2.768 10 30 AFEERN C[C@@H](CC#N)OC(=O)CCC(C)(C)C 739185572 582719537 /nfs/dbraw/zinc/71/95/37/582719537.db2.gz FULYLMPTQLLKQI-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN C[C@H](CC#N)OC(=O)CCC(C)(C)C 739185567 582719624 /nfs/dbraw/zinc/71/96/24/582719624.db2.gz FULYLMPTQLLKQI-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN C#CCC[C@@H](C)OC(=O)[C@H](C)C(C)C 839037535 582724697 /nfs/dbraw/zinc/72/46/97/582724697.db2.gz BBDBSIPKGLCTGQ-GHMZBOCLSA-N 0 0 196.290 2.624 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H](C)C1CCC1 838849307 582721689 /nfs/dbraw/zinc/72/16/89/582721689.db2.gz ASCIBDZTVFDACS-GXSJLCMTSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCCCCCN(C)C(=O)/C=C/C 739653415 582721702 /nfs/dbraw/zinc/72/17/02/582721702.db2.gz DCGOCKPLKRJZCP-BJMVGYQFSA-N 0 0 195.306 2.767 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H](C)C1CCC1 838849311 582722079 /nfs/dbraw/zinc/72/20/79/582722079.db2.gz ASCIBDZTVFDACS-MWLCHTKSSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H](C)C1CCC1 838849315 582722278 /nfs/dbraw/zinc/72/22/78/582722278.db2.gz ASCIBDZTVFDACS-ONGXEEELSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@H](C)C1CCC1 838849309 582722287 /nfs/dbraw/zinc/72/22/87/582722287.db2.gz ASCIBDZTVFDACS-KOLCDFICSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCCCCCN(C)C(=O)/C=C\C 739653417 582722295 /nfs/dbraw/zinc/72/22/95/582722295.db2.gz DCGOCKPLKRJZCP-YHYXMXQVSA-N 0 0 195.306 2.767 10 30 AFEERN C#CCC[C@H](C)OC(=O)C1(CC)CC1 839036480 582724342 /nfs/dbraw/zinc/72/43/42/582724342.db2.gz DBOQEDMOCWYCGI-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCC[C@@H](C)OC(=O)CCCC=C 839036498 582724351 /nfs/dbraw/zinc/72/43/51/582724351.db2.gz DNJRDGPFEIRQDU-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@@H](C)OC(=O)CCC1CC1 839038231 582724173 /nfs/dbraw/zinc/72/41/73/582724173.db2.gz GGBAKZAAWWIKOI-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCC[C@@H](C)OC(=O)C[C@H](C)CC 839037369 582724199 /nfs/dbraw/zinc/72/41/99/582724199.db2.gz BSCFQZIBQHUSAE-GHMZBOCLSA-N 0 0 196.290 2.768 10 30 AFEERN C#CCC[C@H](C)OC(=O)[C@H](C)C(C)C 839037542 582724252 /nfs/dbraw/zinc/72/42/52/582724252.db2.gz BBDBSIPKGLCTGQ-WDEREUQCSA-N 0 0 196.290 2.624 10 30 AFEERN C#CCC[C@H](C)OC(=O)CCC1CC1 839038228 582724286 /nfs/dbraw/zinc/72/42/86/582724286.db2.gz GGBAKZAAWWIKOI-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCC[C@@H](C)OC(=O)[C@@H](C)C(C)C 839037538 582724302 /nfs/dbraw/zinc/72/43/02/582724302.db2.gz BBDBSIPKGLCTGQ-MNOVXSKESA-N 0 0 196.290 2.624 10 30 AFEERN C#CCC[C@@H](C)OC(=O)C[C@@H](C)CC 839037372 582724305 /nfs/dbraw/zinc/72/43/05/582724305.db2.gz BSCFQZIBQHUSAE-WDEREUQCSA-N 0 0 196.290 2.768 10 30 AFEERN C#CCC[C@H](C)OC(=O)/C=C\CCC 839037738 582724325 /nfs/dbraw/zinc/72/43/25/582724325.db2.gz CUHOMTQNRAYRLT-IEHMKBBKSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@H](C)OC(=O)C1(C)CCC1 839036196 582724335 /nfs/dbraw/zinc/72/43/35/582724335.db2.gz AETYYRKJMAEJSP-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCC[C@H](C)OC(=O)CCCC=C 839036499 582724337 /nfs/dbraw/zinc/72/43/37/582724337.db2.gz DNJRDGPFEIRQDU-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@@H](C)OC(=O)/C(C)=C\CC 839037642 582724356 /nfs/dbraw/zinc/72/43/56/582724356.db2.gz CCFIJABHBGSVIP-HIJJYWJESA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@H](C)OC(=O)/C=C/CCC 839037741 582724372 /nfs/dbraw/zinc/72/43/72/582724372.db2.gz CUHOMTQNRAYRLT-UQSGXBNBSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@H](C)OC(=O)[C@@H](C)C(C)C 839037540 582724439 /nfs/dbraw/zinc/72/44/39/582724439.db2.gz BBDBSIPKGLCTGQ-QWRGUYRKSA-N 0 0 196.290 2.624 10 30 AFEERN C#CCC[C@H](C)OC(=O)C[C@@H](C)CC 839037371 582724458 /nfs/dbraw/zinc/72/44/58/582724458.db2.gz BSCFQZIBQHUSAE-QWRGUYRKSA-N 0 0 196.290 2.768 10 30 AFEERN C#CCC[C@H](C)OC(=O)/C(C)=C/CC 839037648 582724476 /nfs/dbraw/zinc/72/44/76/582724476.db2.gz CCFIJABHBGSVIP-UQSGXBNBSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@@H](C)OC(=O)/C=C\CCC 839037737 582724522 /nfs/dbraw/zinc/72/45/22/582724522.db2.gz CUHOMTQNRAYRLT-HIJJYWJESA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@@H](C)OC(=O)/C(C)=C/CC 839037646 582724529 /nfs/dbraw/zinc/72/45/29/582724529.db2.gz CCFIJABHBGSVIP-RJCSOLBVSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@@H](C)OC(=O)/C=C/CCC 839037740 582724548 /nfs/dbraw/zinc/72/45/48/582724548.db2.gz CUHOMTQNRAYRLT-RJCSOLBVSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@H](C)OC(=O)C[C@H](C)CC 839037370 582724585 /nfs/dbraw/zinc/72/45/85/582724585.db2.gz BSCFQZIBQHUSAE-MNOVXSKESA-N 0 0 196.290 2.768 10 30 AFEERN C#CCC[C@@H](C)OC(=O)C1(CC)CC1 839036481 582724597 /nfs/dbraw/zinc/72/45/97/582724597.db2.gz DBOQEDMOCWYCGI-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCC[C@@H](C)OC(=O)C1(C)CCC1 839036197 582724628 /nfs/dbraw/zinc/72/46/28/582724628.db2.gz AETYYRKJMAEJSP-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCC[C@H](C)OC(=O)/C(C)=C\CC 839037644 582724682 /nfs/dbraw/zinc/72/46/82/582724682.db2.gz CCFIJABHBGSVIP-IEHMKBBKSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCC[C@H](C)OC(=O)C1CCCC1 839031084 582725108 /nfs/dbraw/zinc/72/51/08/582725108.db2.gz BMCJJCSFVKTYOK-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCC[C@H](C)OC(=O)CCCC 839033496 582725240 /nfs/dbraw/zinc/72/52/40/582725240.db2.gz DYBDGJVSDMCRGN-JTQLQIEISA-N 0 0 182.263 2.522 10 30 AFEERN C#CCC[C@H](C)OC(=O)CCCCC 839031482 582725234 /nfs/dbraw/zinc/72/52/34/582725234.db2.gz FGDUQNXOBIRHKH-NSHDSACASA-N 0 0 196.290 2.912 10 30 AFEERN C#CCC[C@@H](C)OC(=O)CCCCC 839031481 582725304 /nfs/dbraw/zinc/72/53/04/582725304.db2.gz FGDUQNXOBIRHKH-LLVKDONJSA-N 0 0 196.290 2.912 10 30 AFEERN C#CCC[C@@H](C)OC(=O)CCCC 839033497 582725323 /nfs/dbraw/zinc/72/53/23/582725323.db2.gz DYBDGJVSDMCRGN-SNVBAGLBSA-N 0 0 182.263 2.522 10 30 AFEERN C#CCC[C@@H](C)OC(=O)C1CCCC1 839031087 582725393 /nfs/dbraw/zinc/72/53/93/582725393.db2.gz BMCJJCSFVKTYOK-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN CCCCC(=O)OC1(CC#N)CCC1 788145292 582729616 /nfs/dbraw/zinc/72/96/16/582729616.db2.gz QIKFRYZSPZYIKV-UHFFFAOYSA-N 0 0 195.262 2.556 10 30 AFEERN C=CCCON=Cc1ccc(F)cc1 740872039 582731018 /nfs/dbraw/zinc/73/10/18/582731018.db2.gz DCAVISSPUNAFPO-UHFFFAOYSA-N 0 0 193.221 2.752 10 30 AFEERN CON=Cc1cc2cc(F)ccc2o1 741761647 582732979 /nfs/dbraw/zinc/73/29/79/582732979.db2.gz ANOUYWSUHOHSIF-UHFFFAOYSA-N 0 0 193.177 2.552 10 30 AFEERN CON=C(C)c1cc(C)c(F)c(C)c1 741456990 582733048 /nfs/dbraw/zinc/73/30/48/582733048.db2.gz DSRFFUQDYUUHRC-UHFFFAOYSA-N 0 0 195.237 2.813 10 30 AFEERN CC#CCN(CC)c1ccc(C)cc1 741782840 582733208 /nfs/dbraw/zinc/73/32/08/582733208.db2.gz XKHFRLGFTQMONI-UHFFFAOYSA-N 0 0 187.286 2.845 10 30 AFEERN CON=C1CC(c2ccccc2F)C1 743435193 582737786 /nfs/dbraw/zinc/73/77/86/582737786.db2.gz ADBNPVAGWOEEGH-UHFFFAOYSA-N 0 0 193.221 2.706 10 30 AFEERN CON=C1CC(c2ccccc2C)C1 743435278 582737976 /nfs/dbraw/zinc/73/79/76/582737976.db2.gz DAIITWGKROAQGV-UHFFFAOYSA-N 0 0 189.258 2.875 10 30 AFEERN COCCON=CC1CCCCCC1 748790840 582753670 /nfs/dbraw/zinc/75/36/70/582753670.db2.gz APVWENGYHUZXOV-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN C#C[C@@H](C)OC(=O)/C=C(/C)C(C)(C)C 744180734 582739929 /nfs/dbraw/zinc/73/99/29/582739929.db2.gz VTPJIVOJWPMWHE-HSTULFTRSA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@H](C)OC(=O)C[C@@H](C)CC(C)C 744178513 582739984 /nfs/dbraw/zinc/73/99/84/582739984.db2.gz VGEAMJZFXBGYTH-QWRGUYRKSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](C)OC(=O)CCCC(C)(C)C 744178963 582740113 /nfs/dbraw/zinc/74/01/13/582740113.db2.gz QZRDXFIVFCJWJX-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@@H](C)OC(=O)C[C@@H](CC)C(C)C 744178101 582740148 /nfs/dbraw/zinc/74/01/48/582740148.db2.gz KFQXLSJTGIPPIO-GHMZBOCLSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](C)OC(=O)C[C@H](C)CC(C)C 744178512 582740155 /nfs/dbraw/zinc/74/01/55/582740155.db2.gz VGEAMJZFXBGYTH-MNOVXSKESA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](C)OC(=O)/C=C(\C)C(C)(C)C 744180732 582740216 /nfs/dbraw/zinc/74/02/16/582740216.db2.gz VTPJIVOJWPMWHE-DDXVTDLHSA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@@H](C)OC(=O)/C=C(\C)C(C)(C)C 744180731 582740309 /nfs/dbraw/zinc/74/03/09/582740309.db2.gz VTPJIVOJWPMWHE-AAXQSMANSA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@H](C)OC(=O)C[C@H](CC)C(C)C 744178103 582740417 /nfs/dbraw/zinc/74/04/17/582740417.db2.gz KFQXLSJTGIPPIO-QWRGUYRKSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](C)OC(=O)C1CCCCCC1 744180325 582740436 /nfs/dbraw/zinc/74/04/36/582740436.db2.gz YOZGLUGQVFHOOO-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@@H](C)OC(=O)C[C@H](CC)C(C)C 744178102 582740499 /nfs/dbraw/zinc/74/04/99/582740499.db2.gz KFQXLSJTGIPPIO-MNOVXSKESA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](C)OC(=O)C[C@@H](CC)C(C)C 744178104 582740522 /nfs/dbraw/zinc/74/05/22/582740522.db2.gz KFQXLSJTGIPPIO-WDEREUQCSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](C)OC(=O)/C=C(/C)C(C)(C)C 744180735 582740536 /nfs/dbraw/zinc/74/05/36/582740536.db2.gz VTPJIVOJWPMWHE-QROTZFDESA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@H](C)OC(=O)CCCC(C)(C)C 744178962 582740550 /nfs/dbraw/zinc/74/05/50/582740550.db2.gz QZRDXFIVFCJWJX-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@@H](C)OC(=O)C[C@H](C)CC(C)C 744178508 582740658 /nfs/dbraw/zinc/74/06/58/582740658.db2.gz VGEAMJZFXBGYTH-GHMZBOCLSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](C)OC(=O)C1CCCCCC1 744180326 582740696 /nfs/dbraw/zinc/74/06/96/582740696.db2.gz YOZGLUGQVFHOOO-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@@H](C)OC(=O)C[C@@H](C)CC(C)C 744178515 582740719 /nfs/dbraw/zinc/74/07/19/582740719.db2.gz VGEAMJZFXBGYTH-WDEREUQCSA-N 0 0 196.290 2.624 10 30 AFEERN C=C(C)CCOC(=O)c1ccc(C)o1 744304129 582740920 /nfs/dbraw/zinc/74/09/20/582740920.db2.gz GERZPQAAHLNWFC-UHFFFAOYSA-N 0 0 194.230 2.711 10 30 AFEERN C=C(C)CCOC(=O)C=C1CCCC1 744304030 582741162 /nfs/dbraw/zinc/74/11/62/582741162.db2.gz LOAIFGZEVKPFJL-UHFFFAOYSA-N 0 0 194.274 2.996 10 30 AFEERN C=C(C)CCOC(=O)C[C@H]1C=CCC1 744304115 582741576 /nfs/dbraw/zinc/74/15/76/582741576.db2.gz FVQUXRDXKSJKSA-NSHDSACASA-N 0 0 194.274 2.852 10 30 AFEERN C=C(C)CCOC(=O)C[C@@H]1C=CCC1 744304114 582741629 /nfs/dbraw/zinc/74/16/29/582741629.db2.gz FVQUXRDXKSJKSA-LLVKDONJSA-N 0 0 194.274 2.852 10 30 AFEERN CC#CCOC(=O)CC1CCCCC1 744463729 582742361 /nfs/dbraw/zinc/74/23/61/582742361.db2.gz DUMPKRWAEMJGPR-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN CC#CCOC(=O)CCCC(C)(C)C 744957486 582742761 /nfs/dbraw/zinc/74/27/61/582742761.db2.gz AUGGLSHUZAPPMS-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN CC#CCOC(=O)[C@H](CC)CCCC 744767986 582742791 /nfs/dbraw/zinc/74/27/91/582742791.db2.gz HDRFPLDSECIRBQ-LLVKDONJSA-N 0 0 196.290 2.769 10 30 AFEERN CC#CCOC(=O)[C@@H](CC)CCCC 744767987 582742804 /nfs/dbraw/zinc/74/28/04/582742804.db2.gz HDRFPLDSECIRBQ-NSHDSACASA-N 0 0 196.290 2.769 10 30 AFEERN CCC(C)(C)CC(=O)O[C@@H](C)CC#N 745952460 582744473 /nfs/dbraw/zinc/74/44/73/582744473.db2.gz UHMZDTZXSYAYEG-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN C=C(C)COC(=O)C1C(C)(C)C1(C)C 746081556 582744554 /nfs/dbraw/zinc/74/45/54/582744554.db2.gz CSUQGVMSKUZPOB-UHFFFAOYSA-N 0 0 196.290 2.788 10 30 AFEERN CCC(C)(C)CC(=O)O[C@H](C)CC#N 745952459 582744944 /nfs/dbraw/zinc/74/49/44/582744944.db2.gz UHMZDTZXSYAYEG-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN C=CCCOC(=O)C1C(C)(C)C1(C)C 746081520 582745158 /nfs/dbraw/zinc/74/51/58/582745158.db2.gz CJWROXIDJOODBS-UHFFFAOYSA-N 0 0 196.290 2.788 10 30 AFEERN CCCC(C)=NOCc1cccnc1 746575716 582746904 /nfs/dbraw/zinc/74/69/04/582746904.db2.gz BHHQRIUQFVMYKV-UHFFFAOYSA-N 0 0 192.262 2.774 10 30 AFEERN C#CC[C@@H](OC(=O)[C@H](C)CC)C(C)C 747195627 582747849 /nfs/dbraw/zinc/74/78/49/582747849.db2.gz ZNWHTPSYKPNFAO-GHMZBOCLSA-N 0 0 196.290 2.624 10 30 AFEERN C#CC[C@H](OC(=O)CCC=C)C(C)C 747195301 582748029 /nfs/dbraw/zinc/74/80/29/582748029.db2.gz BRBASTZGHBLNQB-NSHDSACASA-N 0 0 194.274 2.544 10 30 AFEERN C#CC[C@@H](OC(=O)CCC=C)C(C)C 747195300 582748057 /nfs/dbraw/zinc/74/80/57/582748057.db2.gz BRBASTZGHBLNQB-LLVKDONJSA-N 0 0 194.274 2.544 10 30 AFEERN C=CCCCOC(=O)C[C@H]1C=CCC1 747139286 582748060 /nfs/dbraw/zinc/74/80/60/582748060.db2.gz OXLOGLXLPTXFDI-NSHDSACASA-N 0 0 194.274 2.852 10 30 AFEERN C=CCCCOC(=O)C1=C(C)CCC1 747160377 582748111 /nfs/dbraw/zinc/74/81/11/582748111.db2.gz IAIWTXFITITYRE-UHFFFAOYSA-N 0 0 194.274 2.996 10 30 AFEERN C#CC[C@H](OC(=O)CCCC)C(C)C 747188585 582748268 /nfs/dbraw/zinc/74/82/68/582748268.db2.gz ANQGUCMLTPNMPY-NSHDSACASA-N 0 0 196.290 2.768 10 30 AFEERN C#CC[C@@H](OC(=O)[C@@H](C)CC)C(C)C 747195630 582748347 /nfs/dbraw/zinc/74/83/47/582748347.db2.gz ZNWHTPSYKPNFAO-WDEREUQCSA-N 0 0 196.290 2.624 10 30 AFEERN C#CC[C@H](OC(=O)[C@@H](C)CC)C(C)C 747195629 582748355 /nfs/dbraw/zinc/74/83/55/582748355.db2.gz ZNWHTPSYKPNFAO-QWRGUYRKSA-N 0 0 196.290 2.624 10 30 AFEERN C=CCCCOC(=O)C[C@@H]1C=CCC1 747139285 582748399 /nfs/dbraw/zinc/74/83/99/582748399.db2.gz OXLOGLXLPTXFDI-LLVKDONJSA-N 0 0 194.274 2.852 10 30 AFEERN C#CC[C@@H](OC(=O)CCCC)C(C)C 747188583 582748465 /nfs/dbraw/zinc/74/84/65/582748465.db2.gz ANQGUCMLTPNMPY-LLVKDONJSA-N 0 0 196.290 2.768 10 30 AFEERN C#CC[C@H](OC(=O)[C@H](C)CC)C(C)C 747195628 582748537 /nfs/dbraw/zinc/74/85/37/582748537.db2.gz ZNWHTPSYKPNFAO-MNOVXSKESA-N 0 0 196.290 2.624 10 30 AFEERN CCC[C@H](C)C(=O)O[C@H](C#N)C(C)C 747743258 582750023 /nfs/dbraw/zinc/75/00/23/582750023.db2.gz FGUWRBWILADXQY-VHSXEESVSA-N 0 0 197.278 2.514 10 30 AFEERN CCC[C@@H](C)C(=O)O[C@H](C#N)C(C)C 747743253 582750040 /nfs/dbraw/zinc/75/00/40/582750040.db2.gz FGUWRBWILADXQY-NXEZZACHSA-N 0 0 197.278 2.514 10 30 AFEERN CCCCCC(=O)O[C@@H](C#N)C(C)C 747738491 582750077 /nfs/dbraw/zinc/75/00/77/582750077.db2.gz BXSZRXQPVUHFIM-JTQLQIEISA-N 0 0 197.278 2.658 10 30 AFEERN CCCCCC(=O)O[C@H](C#N)C(C)C 747738505 582750328 /nfs/dbraw/zinc/75/03/28/582750328.db2.gz BXSZRXQPVUHFIM-SNVBAGLBSA-N 0 0 197.278 2.658 10 30 AFEERN CCC[C@@H](C)C(=O)O[C@@H](C#N)C(C)C 747743262 582750390 /nfs/dbraw/zinc/75/03/90/582750390.db2.gz FGUWRBWILADXQY-ZJUUUORDSA-N 0 0 197.278 2.514 10 30 AFEERN CCC[C@H](C)C(=O)O[C@@H](C#N)C(C)C 747743256 582750458 /nfs/dbraw/zinc/75/04/58/582750458.db2.gz FGUWRBWILADXQY-UWVGGRQHSA-N 0 0 197.278 2.514 10 30 AFEERN C#CCOC(=O)CCCCCC(C)C 748151911 582750905 /nfs/dbraw/zinc/75/09/05/582750905.db2.gz HFHFWWJYIGQXAJ-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN CC(C)CCCCCC(=O)OCC#N 748150504 582751364 /nfs/dbraw/zinc/75/13/64/582751364.db2.gz AQVVPRBYNPQDLQ-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN C=CCCCC(=O)N(C)C[C@H](C)CC 748313287 582752015 /nfs/dbraw/zinc/75/20/15/582752015.db2.gz AMVSFSGOJABZOH-LLVKDONJSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCC(=O)N(C)C[C@@H](C)CC 748313288 582752074 /nfs/dbraw/zinc/75/20/74/582752074.db2.gz AMVSFSGOJABZOH-NSHDSACASA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCC(=O)N1CCCC[C@H]1C 748282584 582752131 /nfs/dbraw/zinc/75/21/31/582752131.db2.gz HEEDUSSCAHEKFZ-LLVKDONJSA-N 0 0 195.306 2.744 10 30 AFEERN C=CCCCC(=O)N1CCCC[C@@H]1C 748282585 582752141 /nfs/dbraw/zinc/75/21/41/582752141.db2.gz HEEDUSSCAHEKFZ-NSHDSACASA-N 0 0 195.306 2.744 10 30 AFEERN C=CCCCC(=O)N1CCCC1(C)C 748309817 582752151 /nfs/dbraw/zinc/75/21/51/582752151.db2.gz IUHKVGVAVFKDLH-UHFFFAOYSA-N 0 0 195.306 2.744 10 30 AFEERN C=CCCCC(=O)N(C)[C@@H](C)CCC 748294468 582752159 /nfs/dbraw/zinc/75/21/59/582752159.db2.gz FGWQWLKDQBEION-NSHDSACASA-N 0 0 197.322 2.990 10 30 AFEERN C=CCCCC(=O)N(CC)CC(=C)C 748285071 582752226 /nfs/dbraw/zinc/75/22/26/582752226.db2.gz GJJLIQSGKXVBBL-UHFFFAOYSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCCC(=O)N1CCC(=C)CC1 748308937 582752266 /nfs/dbraw/zinc/75/22/66/582752266.db2.gz ADBAFZMHSSVESU-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=CCCCC(=O)N(C)CC(C)(C)C 748306459 582752292 /nfs/dbraw/zinc/75/22/92/582752292.db2.gz FVJRAEPMEHDPQP-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CCCCC(=O)N1C[C@@H](C)C[C@H]1C 748319589 582752373 /nfs/dbraw/zinc/75/23/73/582752373.db2.gz DKTJXXBMPKHQCV-WDEREUQCSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCCC(=O)N1CCC[C@H](C)C1 748282594 582752399 /nfs/dbraw/zinc/75/23/99/582752399.db2.gz HYKSUEBECDADFK-NSHDSACASA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCCC(=O)N1CCC[C@@H](C)C1 748282593 582752251 /nfs/dbraw/zinc/75/22/51/582752251.db2.gz HYKSUEBECDADFK-LLVKDONJSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCCCC(=O)N1C[C@@H](C)C[C@@H]1C 748319587 582752447 /nfs/dbraw/zinc/75/24/47/582752447.db2.gz DKTJXXBMPKHQCV-QWRGUYRKSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCCC(=O)N(C)[C@H](C)CCC 748294467 582752493 /nfs/dbraw/zinc/75/24/93/582752493.db2.gz FGWQWLKDQBEION-LLVKDONJSA-N 0 0 197.322 2.990 10 30 AFEERN C=CCCOC(=O)[C@@H]1[C@H]2CCCC[C@H]21 750913551 582759444 /nfs/dbraw/zinc/75/94/44/582759444.db2.gz DEDDWVLCZXJDTR-URLYPYJESA-N 0 0 194.274 2.542 10 30 AFEERN CCON=C1CCc2ccc(F)cc21 748779956 582753272 /nfs/dbraw/zinc/75/32/72/582753272.db2.gz CTYGYENLGRYKCP-UHFFFAOYSA-N 0 0 193.221 2.513 10 30 AFEERN C=CCCCC(=O)OCc1ccoc1 749025137 582753487 /nfs/dbraw/zinc/75/34/87/582753487.db2.gz MNCPBTXWCQYSFT-UHFFFAOYSA-N 0 0 194.230 2.679 10 30 AFEERN C=CCCCC(=O)N(C)C1CCCC1 748518455 582753523 /nfs/dbraw/zinc/75/35/23/582753523.db2.gz CAQGOGFVPYEAEF-UHFFFAOYSA-N 0 0 195.306 2.744 10 30 AFEERN COCCON=C(C)C1CCCCC1 748788700 582753713 /nfs/dbraw/zinc/75/37/13/582753713.db2.gz AYOSPPUUFCHTRC-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN CC[C@@H]1CCCC(=NOCCOC)C1 748789238 582753780 /nfs/dbraw/zinc/75/37/80/582753780.db2.gz DXWROSRPZXGRQZ-SNVBAGLBSA-N 0 0 199.294 2.606 10 30 AFEERN CC[C@H]1CCCC(=NOCCOC)C1 748789236 582753896 /nfs/dbraw/zinc/75/38/96/582753896.db2.gz DXWROSRPZXGRQZ-JTQLQIEISA-N 0 0 199.294 2.606 10 30 AFEERN C#CCN(c1ccc(F)cc1)C(C)C 749907063 582755919 /nfs/dbraw/zinc/75/59/19/582755919.db2.gz OAHXWEMCCPGVJP-UHFFFAOYSA-N 0 0 191.249 2.674 10 30 AFEERN C=CCCOC(=O)[C@H](C)C1CCCC1 750473348 582757467 /nfs/dbraw/zinc/75/74/67/582757467.db2.gz AOXKKZVUUFSGPW-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)[C@@H](C)C1CCCC1 750473347 582757601 /nfs/dbraw/zinc/75/76/01/582757601.db2.gz AOXKKZVUUFSGPW-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCCC(=O)OCC1CC=CC1 750360739 582757746 /nfs/dbraw/zinc/75/77/46/582757746.db2.gz QOOVSIHQQMQDES-UHFFFAOYSA-N 0 0 194.274 2.852 10 30 AFEERN CC(C)CCC(=O)O[C@H](C#N)C(C)C 750648442 582758131 /nfs/dbraw/zinc/75/81/31/582758131.db2.gz PWBTZWKZZQVFFF-SNVBAGLBSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)CCC(=O)O[C@@H](C#N)C(C)C 750648427 582758522 /nfs/dbraw/zinc/75/85/22/582758522.db2.gz PWBTZWKZZQVFFF-JTQLQIEISA-N 0 0 197.278 2.514 10 30 AFEERN C#CC[C@H](OC(=O)CCCC)C1CC1 750776124 582759382 /nfs/dbraw/zinc/75/93/82/582759382.db2.gz WATMVMBJZOHMMO-NSHDSACASA-N 0 0 194.274 2.522 10 30 AFEERN C#CC[C@@H](OC(=O)CCCC)C1CC1 750776109 582759442 /nfs/dbraw/zinc/75/94/42/582759442.db2.gz WATMVMBJZOHMMO-LLVKDONJSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCCOC(=O)C1(CC)CCC1 751830982 582764940 /nfs/dbraw/zinc/76/49/40/582764940.db2.gz CGTQTRZEYIMXSX-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=CCCCOC(=O)[C@H]1C[C@@H]1C1CC1 751733402 582765036 /nfs/dbraw/zinc/76/50/36/582765036.db2.gz CIBYLXYSVLWAQO-MNOVXSKESA-N 0 0 194.274 2.542 10 30 AFEERN C=CCCCOC(=O)[C@@H]1C[C@@H]1C1CC1 751733401 582765069 /nfs/dbraw/zinc/76/50/69/582765069.db2.gz CIBYLXYSVLWAQO-GHMZBOCLSA-N 0 0 194.274 2.542 10 30 AFEERN C=CCCCOC(=O)[C@@H]1C[C@H]1C1CC1 751733404 582765454 /nfs/dbraw/zinc/76/54/54/582765454.db2.gz CIBYLXYSVLWAQO-WDEREUQCSA-N 0 0 194.274 2.542 10 30 AFEERN C=CCCCOC(=O)[C@H]1C[C@H]1C1CC1 751733403 582765666 /nfs/dbraw/zinc/76/56/66/582765666.db2.gz CIBYLXYSVLWAQO-QWRGUYRKSA-N 0 0 194.274 2.542 10 30 AFEERN C=CCCCC(=O)OC1(C2CC2)CC1 751851860 582766080 /nfs/dbraw/zinc/76/60/80/582766080.db2.gz BZDXZWDPMVRQPF-UHFFFAOYSA-N 0 0 194.274 2.829 10 30 AFEERN CON=C[C@@H]1CCCc2ccccc21 752160560 582768915 /nfs/dbraw/zinc/76/89/15/582768915.db2.gz KMPKFSJHANTLKV-NSHDSACASA-N 0 0 189.258 2.739 10 30 AFEERN CON=C[C@H]1CCCc2ccccc21 752160557 582768967 /nfs/dbraw/zinc/76/89/67/582768967.db2.gz KMPKFSJHANTLKV-LLVKDONJSA-N 0 0 189.258 2.739 10 30 AFEERN C=CCCCC(=O)NCC1(C)CCC1 752426311 582770229 /nfs/dbraw/zinc/77/02/29/582770229.db2.gz CPTSKUDHTTURRO-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=CCCCC(=O)NC1(CC)CCC1 752374963 582770284 /nfs/dbraw/zinc/77/02/84/582770284.db2.gz YHENCDKPVZTOJN-UHFFFAOYSA-N 0 0 195.306 2.792 10 30 AFEERN C=CCC[C@H](OC(=O)C(C)C)C1CC1 752562900 582770546 /nfs/dbraw/zinc/77/05/46/582770546.db2.gz CMTUDJBWJOKVQC-NSHDSACASA-N 0 0 196.290 2.930 10 30 AFEERN CON=C1CC[C@@H](C)c2ccccc21 752722610 582771016 /nfs/dbraw/zinc/77/10/16/582771016.db2.gz DKBAJMNNOBTLPY-SECBINFHSA-N 0 0 189.258 2.934 10 30 AFEERN C=CCC[C@@H](OC(=O)C1CC1)C1CC1 752570324 582771045 /nfs/dbraw/zinc/77/10/45/582771045.db2.gz FNCIYGNWEQHGGK-LLVKDONJSA-N 0 0 194.274 2.684 10 30 AFEERN COCCON=C(C)CC1CCCC1 752730540 582771068 /nfs/dbraw/zinc/77/10/68/582771068.db2.gz BMUFOKWSTQCSDY-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN C=CCC[C@@H](OC(=O)C(C)C)C1CC1 752562899 582771319 /nfs/dbraw/zinc/77/13/19/582771319.db2.gz CMTUDJBWJOKVQC-LLVKDONJSA-N 0 0 196.290 2.930 10 30 AFEERN CON=C1CC[C@H](C)c2ccccc21 752722611 582771322 /nfs/dbraw/zinc/77/13/22/582771322.db2.gz DKBAJMNNOBTLPY-VIFPVBQESA-N 0 0 189.258 2.934 10 30 AFEERN C=CCC[C@H](OC(=O)C1CC1)C1CC1 752570325 582771531 /nfs/dbraw/zinc/77/15/31/582771531.db2.gz FNCIYGNWEQHGGK-NSHDSACASA-N 0 0 194.274 2.684 10 30 AFEERN CC[C@H](C)C(=O)O[C@H](C)C(C)(C)C#N 753609077 582773128 /nfs/dbraw/zinc/77/31/28/582773128.db2.gz QRPKROKBIBIKBG-DTWKUNHWSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](C)C(=O)O[C@H](C)C(C)(C)C#N 753609408 582773212 /nfs/dbraw/zinc/77/32/12/582773212.db2.gz QRPKROKBIBIKBG-RKDXNWHRSA-N 0 0 197.278 2.514 10 30 AFEERN C#C[C@H](C)OC(=O)C(CCC)CCC 753553083 582773341 /nfs/dbraw/zinc/77/33/41/582773341.db2.gz LOKSQQWRXARBGM-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN C#CCCOC(=O)C(CCC)CCC 753540133 582773359 /nfs/dbraw/zinc/77/33/59/582773359.db2.gz CKKVOWFGECGPOZ-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCOC(=O)CC1(C)CCCCC1 753537943 582773390 /nfs/dbraw/zinc/77/33/90/582773390.db2.gz GHRZLLFSLCSRGR-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#C[C@@H](C)OC(=O)C(CCC)CCC 753553085 582773528 /nfs/dbraw/zinc/77/35/28/582773528.db2.gz LOKSQQWRXARBGM-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN CC[C@H](C)C(=O)O[C@@H](C)C(C)(C)C#N 753609078 582773572 /nfs/dbraw/zinc/77/35/72/582773572.db2.gz QRPKROKBIBIKBG-IUCAKERBSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](C)C(=O)O[C@@H](C)C(C)(C)C#N 753609074 582773651 /nfs/dbraw/zinc/77/36/51/582773651.db2.gz QRPKROKBIBIKBG-BDAKNGLRSA-N 0 0 197.278 2.514 10 30 AFEERN CCCCC(=O)O[C@H](C)C(C)(C)C#N 753629232 582774719 /nfs/dbraw/zinc/77/47/19/582774719.db2.gz QJYJMCBDEUYGJD-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN CCCCC(=O)O[C@@H](C)C(C)(C)C#N 753629233 582774735 /nfs/dbraw/zinc/77/47/35/582774735.db2.gz QJYJMCBDEUYGJD-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN CC(C)CC(=O)O[C@@H](C)C(C)(C)C#N 753621750 582774738 /nfs/dbraw/zinc/77/47/38/582774738.db2.gz ORIWZJLPZZEPSS-VIFPVBQESA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)CC(=O)O[C@H](C)C(C)(C)C#N 753621748 582775110 /nfs/dbraw/zinc/77/51/10/582775110.db2.gz ORIWZJLPZZEPSS-SECBINFHSA-N 0 0 197.278 2.514 10 30 AFEERN C(=NOCC1CCC1)c1ccccc1 753820899 582777009 /nfs/dbraw/zinc/77/70/09/582777009.db2.gz DHRBPCGJBNBTMT-UHFFFAOYSA-N 0 0 189.258 2.837 10 30 AFEERN CC[C@H](C)C(=O)O[C@@H](C#N)C(C)(C)C 753951131 582777279 /nfs/dbraw/zinc/77/72/79/582777279.db2.gz NKZYLSARYNEHAE-IUCAKERBSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)CC(=O)O[C@@H](C#N)C(C)(C)C 753951839 582777413 /nfs/dbraw/zinc/77/74/13/582777413.db2.gz ZWMGPIZWMOXBDW-VIFPVBQESA-N 0 0 197.278 2.514 10 30 AFEERN CCCCCC(=O)OC1(C#N)CCC1 753959924 582777447 /nfs/dbraw/zinc/77/74/47/582777447.db2.gz KSGDOTVLOGRTEJ-UHFFFAOYSA-N 0 0 195.262 2.556 10 30 AFEERN CC[C@@H](C)C(=O)O[C@H](C#N)C(C)(C)C 753951132 582777727 /nfs/dbraw/zinc/77/77/27/582777727.db2.gz NKZYLSARYNEHAE-RKDXNWHRSA-N 0 0 197.278 2.514 10 30 AFEERN CCCCC(=O)O[C@H](C#N)C(C)(C)C 753951756 582777800 /nfs/dbraw/zinc/77/78/00/582777800.db2.gz WVCBBBYEONRRNM-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@H](C)C(=O)O[C@H](C#N)C(C)(C)C 753951130 582777876 /nfs/dbraw/zinc/77/78/76/582777876.db2.gz NKZYLSARYNEHAE-DTWKUNHWSA-N 0 0 197.278 2.514 10 30 AFEERN CCCCC(=O)O[C@@H](C#N)C(C)(C)C 753951757 582777891 /nfs/dbraw/zinc/77/78/91/582777891.db2.gz WVCBBBYEONRRNM-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@@H](C)C(=O)O[C@@H](C#N)C(C)(C)C 753951128 582778029 /nfs/dbraw/zinc/77/80/29/582778029.db2.gz NKZYLSARYNEHAE-BDAKNGLRSA-N 0 0 197.278 2.514 10 30 AFEERN CC(C)CC(=O)O[C@H](C#N)C(C)(C)C 753951838 582778076 /nfs/dbraw/zinc/77/80/76/582778076.db2.gz ZWMGPIZWMOXBDW-SECBINFHSA-N 0 0 197.278 2.514 10 30 AFEERN CC(=NOCC(C)C)c1ccc(C)o1 754275534 582780255 /nfs/dbraw/zinc/78/02/55/582780255.db2.gz FZVYDOZTVHYIPV-UHFFFAOYSA-N 0 0 195.262 2.985 10 30 AFEERN CC(C)CON=Cc1ccc(F)cc1 754278387 582780932 /nfs/dbraw/zinc/78/09/32/582780932.db2.gz BLYQYTCWKHXTOO-UHFFFAOYSA-N 0 0 195.237 2.832 10 30 AFEERN CC(C)CON=Cc1ccccc1F 754275503 582780712 /nfs/dbraw/zinc/78/07/12/582780712.db2.gz DSSLBENDIIPIEP-UHFFFAOYSA-N 0 0 195.237 2.832 10 30 AFEERN C#CCOC(=O)[C@@H](C)CCC(C)(C)C 755136444 582783783 /nfs/dbraw/zinc/78/37/83/582783783.db2.gz BRFVOAURHLKTGV-JTQLQIEISA-N 0 0 196.290 2.625 10 30 AFEERN C#CCOC(=O)[C@H](C)CCC(C)(C)C 755136445 582784870 /nfs/dbraw/zinc/78/48/70/582784870.db2.gz BRFVOAURHLKTGV-SNVBAGLBSA-N 0 0 196.290 2.625 10 30 AFEERN C=CCCCN(C)C(=O)C=C1CCC1 755331567 582786167 /nfs/dbraw/zinc/78/61/67/582786167.db2.gz NBBGAZLYOZYJES-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN CCON=C[C@H]1C[C@@H]1c1ccccc1 755627227 582787628 /nfs/dbraw/zinc/78/76/28/582787628.db2.gz HONQZINWQNWICS-VXGBXAGGSA-N 0 0 189.258 2.812 10 30 AFEERN CCC[C@@H](C)CN=Nc1ccccn1 755520139 582787715 /nfs/dbraw/zinc/78/77/15/582787715.db2.gz SEBQRFNRQBSIOW-SNVBAGLBSA-N 0 0 191.278 2.916 10 30 AFEERN CON=Cc1cccn1CCC(C)C 755633245 582787740 /nfs/dbraw/zinc/78/77/40/582787740.db2.gz BHXRHHRNPCRECB-UHFFFAOYSA-N 0 0 194.278 2.515 10 30 AFEERN CCON=C[C@H]1C[C@H]1c1ccccc1 755627211 582787823 /nfs/dbraw/zinc/78/78/23/582787823.db2.gz HONQZINWQNWICS-NEPJUHHUSA-N 0 0 189.258 2.812 10 30 AFEERN Cc1ccc(N=NCC(C)(C)C)nc1 755688509 582787835 /nfs/dbraw/zinc/78/78/35/582787835.db2.gz ASPFFPPFUHGWFI-UHFFFAOYSA-N 0 0 191.278 2.834 10 30 AFEERN CCON=C[C@@H]1C[C@@H]1c1ccccc1 755627224 582788039 /nfs/dbraw/zinc/78/80/39/582788039.db2.gz HONQZINWQNWICS-NWDGAFQWSA-N 0 0 189.258 2.812 10 30 AFEERN CC[C@H](C)CN=Nc1ccc(C)cn1 755689026 582788373 /nfs/dbraw/zinc/78/83/73/582788373.db2.gz JFIWWYNTSTYDGE-VIFPVBQESA-N 0 0 191.278 2.834 10 30 AFEERN CCC[C@H](C)CN=Nc1ccccn1 755520138 582788426 /nfs/dbraw/zinc/78/84/26/582788426.db2.gz SEBQRFNRQBSIOW-JTQLQIEISA-N 0 0 191.278 2.916 10 30 AFEERN CC[C@@H](C)CN=Nc1ccc(C)cn1 755689025 582788455 /nfs/dbraw/zinc/78/84/55/582788455.db2.gz JFIWWYNTSTYDGE-SECBINFHSA-N 0 0 191.278 2.834 10 30 AFEERN Cc1ccnc(N=NCC(C)(C)C)c1 755769281 582788845 /nfs/dbraw/zinc/78/88/45/582788845.db2.gz CMIFIYWMGVFJRH-UHFFFAOYSA-N 0 0 191.278 2.834 10 30 AFEERN CC[C@@H](C)CN=Nc1cc(C)ccn1 755769902 582788931 /nfs/dbraw/zinc/78/89/31/582788931.db2.gz GJPYAXUHPCWXDU-SECBINFHSA-N 0 0 191.278 2.834 10 30 AFEERN CCCCCN=Nc1cc(C)ccn1 755768670 582789005 /nfs/dbraw/zinc/78/90/05/582789005.db2.gz AIFLCHLZVQYQHY-UHFFFAOYSA-N 0 0 191.278 2.978 10 30 AFEERN CC[C@H](C)C(C)=NO[C@H]1CCCCO1 755822295 582789310 /nfs/dbraw/zinc/78/93/10/582789310.db2.gz HDEAMQJDJHZJGH-ONGXEEELSA-N 0 0 199.294 2.952 10 30 AFEERN CC[C@@H](C)C(C)=NO[C@@H]1CCCCO1 755822293 582789121 /nfs/dbraw/zinc/78/91/21/582789121.db2.gz HDEAMQJDJHZJGH-MWLCHTKSSA-N 0 0 199.294 2.952 10 30 AFEERN CC[C@@H](C)CN=Nc1ccc(F)cn1 755704624 582789256 /nfs/dbraw/zinc/78/92/56/582789256.db2.gz CSOIHWGCKHEVLL-MRVPVSSYSA-N 0 0 195.241 2.665 10 30 AFEERN CC[C@H](C)CN=Nc1cc(C)ccn1 755769903 582789297 /nfs/dbraw/zinc/78/92/97/582789297.db2.gz GJPYAXUHPCWXDU-VIFPVBQESA-N 0 0 191.278 2.834 10 30 AFEERN CC[C@H](C)CN=Nc1ccc(F)cn1 755704625 582789402 /nfs/dbraw/zinc/78/94/02/582789402.db2.gz CSOIHWGCKHEVLL-QMMMGPOBSA-N 0 0 195.241 2.665 10 30 AFEERN CC[C@@H](C)C(C)=NO[C@H]1CCCCO1 755822289 582789421 /nfs/dbraw/zinc/78/94/21/582789421.db2.gz HDEAMQJDJHZJGH-KOLCDFICSA-N 0 0 199.294 2.952 10 30 AFEERN C(=NO[C@H]1CCCCO1)C1CCCC1 755813056 582789761 /nfs/dbraw/zinc/78/97/61/582789761.db2.gz BGPDEYBAMOTIEQ-NSHDSACASA-N 0 0 197.278 2.706 10 30 AFEERN C(=NO[C@@H]1CCCCO1)C1CCCC1 755813055 582789782 /nfs/dbraw/zinc/78/97/82/582789782.db2.gz BGPDEYBAMOTIEQ-LLVKDONJSA-N 0 0 197.278 2.706 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1CC[C@H](C)C1 756016509 582790076 /nfs/dbraw/zinc/79/00/76/582790076.db2.gz TVXMAPGMYRXQTO-GARJFASQSA-N 0 0 196.290 2.930 10 30 AFEERN C#CCCCCC(=O)O[C@@H](C)C(=C)C 755990224 582790083 /nfs/dbraw/zinc/79/00/83/582790083.db2.gz JWPXYJPLBZWXJR-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H]1C[C@@H]1C1CC1 756012799 582790135 /nfs/dbraw/zinc/79/01/35/582790135.db2.gz LQKZEOKFZLBKRD-GDPRMGEGSA-N 0 0 194.274 2.540 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1CC[C@@H](C)C1 756016512 582790235 /nfs/dbraw/zinc/79/02/35/582790235.db2.gz TVXMAPGMYRXQTO-OUAUKWLOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H]1CC=CCC1 756014836 582790243 /nfs/dbraw/zinc/79/02/43/582790243.db2.gz UGGNHFKOBJFUEN-QWRGUYRKSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)c1ccc(C)o1 756013706 582790263 /nfs/dbraw/zinc/79/02/63/582790263.db2.gz OZFPXIHKCFTJDA-VIFPVBQESA-N 0 0 194.230 2.709 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)/C=C(/C)C1CC1 756014849 582790287 /nfs/dbraw/zinc/79/02/87/582790287.db2.gz UKGGSARANLPXIT-UJICNMFASA-N 0 0 194.274 2.851 10 30 AFEERN C#CCCCCC(=O)O[C@H](C)C(=C)C 755990220 582790338 /nfs/dbraw/zinc/79/03/38/582790338.db2.gz JWPXYJPLBZWXJR-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C[C@@H](C)C1CC1 755989580 582790388 /nfs/dbraw/zinc/79/03/88/582790388.db2.gz HOIQDXIRVFHFLM-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1CC=CCC1 756014837 582790396 /nfs/dbraw/zinc/79/03/96/582790396.db2.gz UGGNHFKOBJFUEN-WDEREUQCSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)/C=C(\C)C1CC1 756014842 582790417 /nfs/dbraw/zinc/79/04/17/582790417.db2.gz UKGGSARANLPXIT-PCYYEKQGSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)c1ccoc1C 756011987 582790683 /nfs/dbraw/zinc/79/06/83/582790683.db2.gz IEHQLRSQOJJFPD-QMMMGPOBSA-N 0 0 194.230 2.709 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)/C=C(\C)C1CC1 756014846 582790431 /nfs/dbraw/zinc/79/04/31/582790431.db2.gz UKGGSARANLPXIT-TTZKWOQHSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1=C(C)CCC1 756010637 582790440 /nfs/dbraw/zinc/79/04/40/582790440.db2.gz ABONTSNFOMVSPX-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)c1occc1C 756007557 582790480 /nfs/dbraw/zinc/79/04/80/582790480.db2.gz VTMWWOZCQXPIFD-SECBINFHSA-N 0 0 194.230 2.709 10 30 AFEERN C=C(C)[C@H](C)OC(=O)/C=C(/C)C1CC1 756014844 582790500 /nfs/dbraw/zinc/79/05/00/582790500.db2.gz UKGGSARANLPXIT-RNKPRXRFSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@H]1CC=CCC1 756014835 582790514 /nfs/dbraw/zinc/79/05/14/582790514.db2.gz UGGNHFKOBJFUEN-MNOVXSKESA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@H](C)C1CC1 755989581 582790532 /nfs/dbraw/zinc/79/05/32/582790532.db2.gz HOIQDXIRVFHFLM-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H]1CC[C@H](C)C1 756016507 582790542 /nfs/dbraw/zinc/79/05/42/582790542.db2.gz TVXMAPGMYRXQTO-DCAQKATOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1=C(C)CCC1 756010636 582790663 /nfs/dbraw/zinc/79/06/63/582790663.db2.gz ABONTSNFOMVSPX-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C=C1CCCC1 756014899 582790685 /nfs/dbraw/zinc/79/06/85/582790685.db2.gz UYZCQDUZCUCIMB-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)c1ccc(C)o1 756013705 582790697 /nfs/dbraw/zinc/79/06/97/582790697.db2.gz OZFPXIHKCFTJDA-SECBINFHSA-N 0 0 194.230 2.709 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C=C1CCCC1 756014902 582790704 /nfs/dbraw/zinc/79/07/04/582790704.db2.gz UYZCQDUZCUCIMB-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1CC=CCC1 756014833 582790710 /nfs/dbraw/zinc/79/07/10/582790710.db2.gz UGGNHFKOBJFUEN-GHMZBOCLSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C[C@H](C)C1CC1 755989582 582790735 /nfs/dbraw/zinc/79/07/35/582790735.db2.gz HOIQDXIRVFHFLM-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)c1occc1C 756007560 582790772 /nfs/dbraw/zinc/79/07/72/582790772.db2.gz VTMWWOZCQXPIFD-VIFPVBQESA-N 0 0 194.230 2.709 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)c1ccoc1C 756011981 582790774 /nfs/dbraw/zinc/79/07/74/582790774.db2.gz IEHQLRSQOJJFPD-MRVPVSSYSA-N 0 0 194.230 2.709 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H]1CC[C@@H](C)C1 756016513 582790790 /nfs/dbraw/zinc/79/07/90/582790790.db2.gz TVXMAPGMYRXQTO-VWYCJHECSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C[C@@H](C)C1CC1 755989583 582790841 /nfs/dbraw/zinc/79/08/41/582790841.db2.gz HOIQDXIRVFHFLM-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN CC(C)(C)OCCCON=C1CCC1 756873297 582793825 /nfs/dbraw/zinc/79/38/25/582793825.db2.gz BJPHEYNPICKYNW-UHFFFAOYSA-N 0 0 199.294 2.748 10 30 AFEERN CC#CCOC(=O)C1(CC)CCCC1 757122542 582794165 /nfs/dbraw/zinc/79/41/65/582794165.db2.gz GPOSBJXPAPZIFQ-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#C[C@H](C)OC(=O)C1(CC)CCCC1 757322888 582795154 /nfs/dbraw/zinc/79/51/54/582795154.db2.gz MUHFKEYDTZTSBD-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCN(c1ccccc1)[C@H]1C[C@@H]1C 839635111 582795176 /nfs/dbraw/zinc/79/51/76/582795176.db2.gz GLIKMKUPOYOQTG-JSGCOSHPSA-N 0 0 199.297 2.925 10 30 AFEERN C=C(Cl)CN(CC(C)(C)C)OC 839600416 582795200 /nfs/dbraw/zinc/79/52/00/582795200.db2.gz BWUZQTRPZHVOBW-UHFFFAOYSA-N 0 0 191.702 2.648 10 30 AFEERN C=CCN(C)c1ccc(C)cc1F 839648244 582795470 /nfs/dbraw/zinc/79/54/70/582795470.db2.gz BTNAFJZEVMRTJD-UHFFFAOYSA-N 0 0 179.238 2.756 10 30 AFEERN C#CCCN(c1ccccc1)[C@@H]1C[C@@H]1C 839635108 582795269 /nfs/dbraw/zinc/79/52/69/582795269.db2.gz GLIKMKUPOYOQTG-GXTWGEPZSA-N 0 0 199.297 2.925 10 30 AFEERN C#C[C@@H](C)OC(=O)C1(CC)CCCC1 757322890 582795366 /nfs/dbraw/zinc/79/53/66/582795366.db2.gz MUHFKEYDTZTSBD-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCN(c1ccccc1)[C@@H]1C[C@H]1C 839635121 582795547 /nfs/dbraw/zinc/79/55/47/582795547.db2.gz GLIKMKUPOYOQTG-TZMCWYRMSA-N 0 0 199.297 2.925 10 30 AFEERN C#CCCN(c1ccccc1)[C@H]1C[C@H]1C 839635116 582795840 /nfs/dbraw/zinc/79/58/40/582795840.db2.gz GLIKMKUPOYOQTG-OCCSQVGLSA-N 0 0 199.297 2.925 10 30 AFEERN Fc1ccc(CON=CC2CC2)cc1 758143050 582798757 /nfs/dbraw/zinc/79/87/57/582798757.db2.gz CQYPFISRRZHZFT-UHFFFAOYSA-N 0 0 193.221 2.738 10 30 AFEERN CC(C)C=NOCc1ccc(F)cc1 758144174 582798991 /nfs/dbraw/zinc/79/89/91/582798991.db2.gz YBIWIADFVQKQLW-UHFFFAOYSA-N 0 0 195.237 2.984 10 30 AFEERN C=CCC(CC=C)C(=O)OC1CCC1 758532842 582799776 /nfs/dbraw/zinc/79/97/76/582799776.db2.gz HCYVSSSMCDSVSA-UHFFFAOYSA-N 0 0 194.274 2.851 10 30 AFEERN C1CC[C@@H](CCON=C2CCC2)OC1 758760231 582799909 /nfs/dbraw/zinc/79/99/09/582799909.db2.gz FFYDQMIOUHFGAJ-NSHDSACASA-N 0 0 197.278 2.502 10 30 AFEERN C1CC[C@H](CCON=C2CCC2)OC1 758759605 582800337 /nfs/dbraw/zinc/80/03/37/582800337.db2.gz FFYDQMIOUHFGAJ-LLVKDONJSA-N 0 0 197.278 2.502 10 30 AFEERN C=CCC(CC=C)C(=O)OCC(=C)C 758512836 582800499 /nfs/dbraw/zinc/80/04/99/582800499.db2.gz FWMUGYANTCOXEP-UHFFFAOYSA-N 0 0 194.274 2.874 10 30 AFEERN Cc1ccccc1C=NOCC(F)F 758906437 582800799 /nfs/dbraw/zinc/80/07/99/582800799.db2.gz HRFNTJBABAGPTH-UHFFFAOYSA-N 0 0 199.200 2.611 10 30 AFEERN CC(=NOCC(F)F)c1ccccc1 758910013 582801146 /nfs/dbraw/zinc/80/11/46/582801146.db2.gz GWLPDEUWCCMLRW-UHFFFAOYSA-N 0 0 199.200 2.692 10 30 AFEERN C#CCCCC(=O)OC[C@H](C)CCC 759688541 582805015 /nfs/dbraw/zinc/80/50/15/582805015.db2.gz OTIKZSLCNZNMKZ-LLVKDONJSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCCCC(=O)O[C@H](C)CCC=C 759174332 582801700 /nfs/dbraw/zinc/80/17/00/582801700.db2.gz SCGGIFFMTTXJBW-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN CON=C1CC(c2ccc(F)cc2)C1 759193396 582801995 /nfs/dbraw/zinc/80/19/95/582801995.db2.gz MAVOLDMWBTYEPU-UHFFFAOYSA-N 0 0 193.221 2.706 10 30 AFEERN C#CCCCC(=O)O[C@@H](C)CCC=C 759174333 582802331 /nfs/dbraw/zinc/80/23/31/582802331.db2.gz SCGGIFFMTTXJBW-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C=CCCOC(=O)C[C@@H]1CC[C@H](C)C1 759412376 582802711 /nfs/dbraw/zinc/80/27/11/582802711.db2.gz AEYGDWNYHULFQS-WDEREUQCSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)C[C@H]1CC[C@@H](C)C1 759412374 582802962 /nfs/dbraw/zinc/80/29/62/582802962.db2.gz AEYGDWNYHULFQS-MNOVXSKESA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)C[C@@H]1CC[C@@H](C)C1 759412373 582803299 /nfs/dbraw/zinc/80/32/99/582803299.db2.gz AEYGDWNYHULFQS-GHMZBOCLSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)C[C@H]1CC[C@H](C)C1 759412375 582803512 /nfs/dbraw/zinc/80/35/12/582803512.db2.gz AEYGDWNYHULFQS-QWRGUYRKSA-N 0 0 196.290 2.932 10 30 AFEERN CCC(CC)CC(=O)O[C@@H](C)CC#N 759561825 582803677 /nfs/dbraw/zinc/80/36/77/582803677.db2.gz RUXIBGCOAOIMKF-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN CCC(=CC(=O)O[C@@H](C)CC#N)CC 759561883 582804111 /nfs/dbraw/zinc/80/41/11/582804111.db2.gz TUVVYLAOWHITJH-VIFPVBQESA-N 0 0 195.262 2.578 10 30 AFEERN C#CCCCOC(=O)C=C(CC)CC 759545500 582803830 /nfs/dbraw/zinc/80/38/30/582803830.db2.gz BWCVKXYGBGPFSW-UHFFFAOYSA-N 0 0 194.274 2.689 10 30 AFEERN C#C[C@H](C)OC(=O)C1(CCC)CCC1 759556930 582803838 /nfs/dbraw/zinc/80/38/38/582803838.db2.gz VTPSWXXJZKRHCV-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN CCC(=CC(=O)O[C@H](C)CC#N)CC 759561881 582803869 /nfs/dbraw/zinc/80/38/69/582803869.db2.gz TUVVYLAOWHITJH-SECBINFHSA-N 0 0 195.262 2.578 10 30 AFEERN C#C[C@@H](C)OC(=O)C1(CCC)CCC1 759556933 582803915 /nfs/dbraw/zinc/80/39/15/582803915.db2.gz VTPSWXXJZKRHCV-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCCC(=O)OC1(C)CCCC1 759571648 582803920 /nfs/dbraw/zinc/80/39/20/582803920.db2.gz CBRFXQLPYDCLPO-UHFFFAOYSA-N 0 0 194.274 2.666 10 30 AFEERN CCC(CC)CC(=O)O[C@H](C)CC#N 759561823 582803994 /nfs/dbraw/zinc/80/39/94/582803994.db2.gz RUXIBGCOAOIMKF-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN C#CCCCC(=O)OCC(C)(C)CC 759550729 582804010 /nfs/dbraw/zinc/80/40/10/582804010.db2.gz SKGKHYHWQYCNAC-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCCOC(=O)C1(CCC)CCC1 759545942 582804107 /nfs/dbraw/zinc/80/41/07/582804107.db2.gz HEINJMRRTQZSQE-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#CCCCC(=O)O[C@@H](C)C1CCC1 759551368 582804259 /nfs/dbraw/zinc/80/42/59/582804259.db2.gz WHMWQGYBEWAFKU-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCCC(=O)OC[C@@H](C)CCC 759688544 582805064 /nfs/dbraw/zinc/80/50/64/582805064.db2.gz OTIKZSLCNZNMKZ-NSHDSACASA-N 0 0 196.290 2.769 10 30 AFEERN C#CCCCCCOC(=O)C1(C)CC1 760259572 582806462 /nfs/dbraw/zinc/80/64/62/582806462.db2.gz MNDLALGTYFDIAK-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#CCCCCCOC(=O)/C(C)=C/C 760256886 582806556 /nfs/dbraw/zinc/80/65/56/582806556.db2.gz OLRRLQDBEIGPIX-VZUCSPMQSA-N 0 0 194.274 2.689 10 30 AFEERN CC#CCCOC(=O)CC1CCCC1 760272793 582806562 /nfs/dbraw/zinc/80/65/62/582806562.db2.gz AFBFVANHDSRKGW-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#CCCCCCOC(=O)/C(C)=C\C 760256887 582806636 /nfs/dbraw/zinc/80/66/36/582806636.db2.gz OLRRLQDBEIGPIX-WZUFQYTHSA-N 0 0 194.274 2.689 10 30 AFEERN C#CCC(C)(C)COC(=O)/C(C)=C\C 760272398 582806640 /nfs/dbraw/zinc/80/66/40/582806640.db2.gz XKXSXHFIQKWFDJ-YFHOEESVSA-N 0 0 194.274 2.545 10 30 AFEERN C#CCCCCCOC(=O)CC1CC1 760257416 582806670 /nfs/dbraw/zinc/80/66/70/582806670.db2.gz UGAZUARZXJAYMT-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#CCC(C)(C)COC(=O)/C(C)=C/C 760272397 582806688 /nfs/dbraw/zinc/80/66/88/582806688.db2.gz XKXSXHFIQKWFDJ-JXMROGBWSA-N 0 0 194.274 2.545 10 30 AFEERN C#CCCCCCOC(=O)C(C)(C)C 760258886 582806697 /nfs/dbraw/zinc/80/66/97/582806697.db2.gz OJLYNPONGHBTKL-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCC(C)(C)COC(=O)C(C)(C)C 760266760 582806748 /nfs/dbraw/zinc/80/67/48/582806748.db2.gz AWEORAJKARPUHZ-UHFFFAOYSA-N 0 0 196.290 2.625 10 30 AFEERN C#CCCN1CC2(CC2)c2ccccc21 760861059 582808092 /nfs/dbraw/zinc/80/80/92/582808092.db2.gz ADYONBGWIRJPOD-UHFFFAOYSA-N 0 0 197.281 2.562 10 30 AFEERN C#C[C@@H](C)OC(=O)C(CC)(CC)CC 761209480 582811173 /nfs/dbraw/zinc/81/11/73/582811173.db2.gz ABHXXGJCNUQMJT-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](C)OC(=O)C(CC)(CC)CC 761209479 582811640 /nfs/dbraw/zinc/81/16/40/582811640.db2.gz ABHXXGJCNUQMJT-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN CCC(CC)[C@H](C)C(=O)O[C@H](C)C#N 761494982 582812055 /nfs/dbraw/zinc/81/20/55/582812055.db2.gz HNOFGVRFVWGPID-BDAKNGLRSA-N 0 0 197.278 2.514 10 30 AFEERN CCC(CC)[C@@H](C)C(=O)O[C@@H](C)C#N 761494983 582812061 /nfs/dbraw/zinc/81/20/61/582812061.db2.gz HNOFGVRFVWGPID-DTWKUNHWSA-N 0 0 197.278 2.514 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@H](C)C(CC)CC 762064331 582814202 /nfs/dbraw/zinc/81/42/02/582814202.db2.gz QFQSSYULIKDMSG-NXEZZACHSA-N 0 0 196.290 2.624 10 30 AFEERN CCC(CC)[C@@H](C)C(=O)O[C@H](C)C#N 761494985 582812391 /nfs/dbraw/zinc/81/23/91/582812391.db2.gz HNOFGVRFVWGPID-RKDXNWHRSA-N 0 0 197.278 2.514 10 30 AFEERN CC#CCOC(=O)C(CC)(CC)CC 761478538 582812459 /nfs/dbraw/zinc/81/24/59/582812459.db2.gz GLVDRUYTOOYMCA-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN CCC(CC)[C@H](C)C(=O)O[C@@H](C)C#N 761494984 582812510 /nfs/dbraw/zinc/81/25/10/582812510.db2.gz HNOFGVRFVWGPID-IUCAKERBSA-N 0 0 197.278 2.514 10 30 AFEERN C=CCCN(C)OCc1ccccc1 761703159 582813145 /nfs/dbraw/zinc/81/31/45/582813145.db2.gz DYCKKUKRYHAKNU-UHFFFAOYSA-N 0 0 191.274 2.626 10 30 AFEERN C=C(C)CN(C)OCc1ccccc1 761703427 582813147 /nfs/dbraw/zinc/81/31/47/582813147.db2.gz BUQDNCUDUKBNRO-UHFFFAOYSA-N 0 0 191.274 2.626 10 30 AFEERN C#C[C@H](C)OC(=O)[C@@H](C)C(CC)CC 762064615 582814462 /nfs/dbraw/zinc/81/44/62/582814462.db2.gz QFQSSYULIKDMSG-UWVGGRQHSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@@H](C)C(CC)CC 762064618 582814465 /nfs/dbraw/zinc/81/44/65/582814465.db2.gz QFQSSYULIKDMSG-ZJUUUORDSA-N 0 0 196.290 2.624 10 30 AFEERN C#CCCOC(=O)[C@H](C)C(CC)CC 762040122 582814626 /nfs/dbraw/zinc/81/46/26/582814626.db2.gz DEIWURLXVVWHHY-SNVBAGLBSA-N 0 0 196.290 2.625 10 30 AFEERN C#CCCOC(=O)[C@@H](C)C(CC)CC 762040114 582814691 /nfs/dbraw/zinc/81/46/91/582814691.db2.gz DEIWURLXVVWHHY-JTQLQIEISA-N 0 0 196.290 2.625 10 30 AFEERN C#C[C@H](C)OC(=O)[C@H](C)C(CC)CC 762064616 582814716 /nfs/dbraw/zinc/81/47/16/582814716.db2.gz QFQSSYULIKDMSG-VHSXEESVSA-N 0 0 196.290 2.624 10 30 AFEERN CCC[C@H](C)CC(=O)OC(C)(C)C#N 762584831 582814881 /nfs/dbraw/zinc/81/48/81/582814881.db2.gz PXVHWPPHLLCDNH-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN CCC[C@@H](C)CC(=O)OC(C)(C)C#N 762584830 582815596 /nfs/dbraw/zinc/81/55/96/582815596.db2.gz PXVHWPPHLLCDNH-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN C#CC[C@H](OC(=O)CCC)C(C)(C)C 763267986 582818354 /nfs/dbraw/zinc/81/83/54/582818354.db2.gz PEUWOUMYMPLJIV-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN C#CC[C@@H](OC(=O)CCC)C(C)(C)C 763267996 582818522 /nfs/dbraw/zinc/81/85/22/582818522.db2.gz PEUWOUMYMPLJIV-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN CCON=C(C)c1cc(C)ccc1F 763353446 582818559 /nfs/dbraw/zinc/81/85/59/582818559.db2.gz DDAKPESBWUKJTC-UHFFFAOYSA-N 0 0 195.237 2.895 10 30 AFEERN C=C[C@@H](CC)OC(=O)C(C)(C)C1CC1 805908525 582908402 /nfs/dbraw/zinc/90/84/02/582908402.db2.gz ABQOQPXVGGJJGJ-JTQLQIEISA-N 0 0 196.290 2.930 10 30 AFEERN CC#CCOC(=O)[C@@H](CCC)C(C)C 763846423 582820118 /nfs/dbraw/zinc/82/01/18/582820118.db2.gz ASXKVTXFIXGKJV-NSHDSACASA-N 0 0 196.290 2.625 10 30 AFEERN CC#CCOC(=O)[C@H](CCC)C(C)C 763846422 582820360 /nfs/dbraw/zinc/82/03/60/582820360.db2.gz ASXKVTXFIXGKJV-LLVKDONJSA-N 0 0 196.290 2.625 10 30 AFEERN C#CCCCC(=O)OCC1(C)CCC1 764114177 582821648 /nfs/dbraw/zinc/82/16/48/582821648.db2.gz BVDOMDPKHWZWAB-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#CCCCC(=O)OCCC1(C)CC1 764231179 582822275 /nfs/dbraw/zinc/82/22/75/582822275.db2.gz HNWAIBIHWQXGRI-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#C[C@H](C)OC(=O)[C@H](CCC)C(C)C 764653780 582823592 /nfs/dbraw/zinc/82/35/92/582823592.db2.gz DUKNSZZCVUQZQN-WDEREUQCSA-N 0 0 196.290 2.624 10 30 AFEERN C#CCOC(=O)C1(CC)CCCCC1 764664385 582823610 /nfs/dbraw/zinc/82/36/10/582823610.db2.gz BJXRINIRUOIYDZ-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=CCCC(=O)O[C@@H](C)c1ccco1 764798963 582823675 /nfs/dbraw/zinc/82/36/75/582823675.db2.gz BBVKZPUZSXCYET-VIFPVBQESA-N 0 0 194.230 2.850 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@@H](CCC)C(C)C 764653778 582823789 /nfs/dbraw/zinc/82/37/89/582823789.db2.gz DUKNSZZCVUQZQN-MNOVXSKESA-N 0 0 196.290 2.624 10 30 AFEERN C=CCCC(=O)O[C@H](C)c1ccco1 764787652 582823968 /nfs/dbraw/zinc/82/39/68/582823968.db2.gz BBVKZPUZSXCYET-SECBINFHSA-N 0 0 194.230 2.850 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@H](CCC)C(C)C 764653777 582823982 /nfs/dbraw/zinc/82/39/82/582823982.db2.gz DUKNSZZCVUQZQN-GHMZBOCLSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](C)OC(=O)[C@@H](CCC)C(C)C 764653779 582824228 /nfs/dbraw/zinc/82/42/28/582824228.db2.gz DUKNSZZCVUQZQN-QWRGUYRKSA-N 0 0 196.290 2.624 10 30 AFEERN CCC(C)=NNCc1cccc(C)c1 764709551 582824330 /nfs/dbraw/zinc/82/43/30/582824330.db2.gz MFKCYXYBMNCDTK-UHFFFAOYSA-N 0 0 190.290 2.871 10 30 AFEERN CC[C@H](C)C(=O)OCC(C)(C)CC#N 764834769 582824721 /nfs/dbraw/zinc/82/47/21/582824721.db2.gz KXNBNSBHTLNSBP-VIFPVBQESA-N 0 0 197.278 2.516 10 30 AFEERN CC[C@@H](C)C(=O)OCC(C)(C)CC#N 764834767 582824881 /nfs/dbraw/zinc/82/48/81/582824881.db2.gz KXNBNSBHTLNSBP-SECBINFHSA-N 0 0 197.278 2.516 10 30 AFEERN CC(C)(CC#N)COC(=O)C(C)(C)C 764842994 582824905 /nfs/dbraw/zinc/82/49/05/582824905.db2.gz SGJCTCCSMGYQHN-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN CCCCC(=O)OCC(C)(C)CC#N 764848753 582825061 /nfs/dbraw/zinc/82/50/61/582825061.db2.gz ZIBBHNKBEBHZNY-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN CC#CCCN1CCc2cc(C)ccc21 764980166 582825067 /nfs/dbraw/zinc/82/50/67/582825067.db2.gz AOHKOVBGANZXEV-UHFFFAOYSA-N 0 0 199.297 2.771 10 30 AFEERN CC(C)CC(=O)OCC(C)(C)CC#N 764830691 582825082 /nfs/dbraw/zinc/82/50/82/582825082.db2.gz WPXKGKBPJUVAHL-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN CC1(CN=Nc2ccccn2)CCC1 765995025 582826772 /nfs/dbraw/zinc/82/67/72/582826772.db2.gz NZNBIUNSFOTMOI-UHFFFAOYSA-N 0 0 189.262 2.670 10 30 AFEERN CC1(C=NO[C@@H]2CCCCO2)CCC1 766029504 582826776 /nfs/dbraw/zinc/82/67/76/582826776.db2.gz MOPBKSVWDIOIEJ-SNVBAGLBSA-N 0 0 197.278 2.706 10 30 AFEERN C[C@@H](C=NOC1CCCC1)CCC#N 766028683 582827368 /nfs/dbraw/zinc/82/73/68/582827368.db2.gz FUANCNDGTUOVCI-SNVBAGLBSA-N 0 0 194.278 2.871 10 30 AFEERN CC1(C=NO[C@H]2CCCCO2)CCC1 766029502 582827554 /nfs/dbraw/zinc/82/75/54/582827554.db2.gz MOPBKSVWDIOIEJ-JTQLQIEISA-N 0 0 197.278 2.706 10 30 AFEERN COC(C)(C)CC=NOC1CCCC1 766028593 582827695 /nfs/dbraw/zinc/82/76/95/582827695.db2.gz CVCLNQOUUYXDJD-UHFFFAOYSA-N 0 0 199.294 2.747 10 30 AFEERN C[C@H](C=NOC1CCCC1)CCC#N 766028682 582827825 /nfs/dbraw/zinc/82/78/25/582827825.db2.gz FUANCNDGTUOVCI-JTQLQIEISA-N 0 0 194.278 2.871 10 30 AFEERN C#C[C@H](CC)OC(=O)/C=C\C(C)(C)C 768059371 582833496 /nfs/dbraw/zinc/83/34/96/582833496.db2.gz LZGZLNSAPLSDDM-HSTULFTRSA-N 0 0 194.274 2.544 10 30 AFEERN CON=C(C)c1ccc2c(c1)CCC2 767488855 582832114 /nfs/dbraw/zinc/83/21/14/582832114.db2.gz BFYQIYSEVDEJKV-UHFFFAOYSA-N 0 0 189.258 2.546 10 30 AFEERN CC#CCCOC(=O)C(C)(CC)CC 767620567 582832885 /nfs/dbraw/zinc/83/28/85/582832885.db2.gz GPVOXFRJINJSRJ-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCCCOC(=O)C(C)(CC)CC 767609546 582832894 /nfs/dbraw/zinc/83/28/94/582832894.db2.gz HVBQCOHTJVCNIC-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN c1ccc(CCON=C2CCC2)cc1 767933856 582833003 /nfs/dbraw/zinc/83/30/03/582833003.db2.gz NTRJVDJLUKGSGV-UHFFFAOYSA-N 0 0 189.258 2.786 10 30 AFEERN CC#CCCCC(=O)OC/C=C/CC 767957276 582833009 /nfs/dbraw/zinc/83/30/09/582833009.db2.gz IPJOPHRLHYHENV-RMKNXTFCSA-N 0 0 194.274 2.689 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OC[C@@H]1C[C@@H]1C 767965069 582833083 /nfs/dbraw/zinc/83/30/83/582833083.db2.gz BKYGNYALIXAWHM-DCAQKATOSA-N 0 0 196.290 2.788 10 30 AFEERN CC#CCCCC(=O)OCC(C)(C)C 767967797 582833089 /nfs/dbraw/zinc/83/30/89/582833089.db2.gz FUVSHEAEQMYDSN-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OC[C@@H]1C[C@H]1C 767965079 582833181 /nfs/dbraw/zinc/83/31/81/582833181.db2.gz BKYGNYALIXAWHM-VWYCJHECSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OC[C@H]1C[C@H]1C 767965075 582833199 /nfs/dbraw/zinc/83/31/99/582833199.db2.gz BKYGNYALIXAWHM-OUAUKWLOSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OC[C@H]1C[C@@H]1C 767965073 582833215 /nfs/dbraw/zinc/83/32/15/582833215.db2.gz BKYGNYALIXAWHM-GARJFASQSA-N 0 0 196.290 2.788 10 30 AFEERN CC#CCCCC(=O)OC/C=C\CC 767957277 582833244 /nfs/dbraw/zinc/83/32/44/582833244.db2.gz IPJOPHRLHYHENV-TWGQIWQCSA-N 0 0 194.274 2.689 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@H](C)CC(C)C 768051582 582833501 /nfs/dbraw/zinc/83/35/01/582833501.db2.gz UPJOEIDJCIASHY-GHMZBOCLSA-N 0 0 196.290 2.624 10 30 AFEERN CC#CCCCCOC(=O)[C@@H](C)CC 768126442 582833486 /nfs/dbraw/zinc/83/34/86/582833486.db2.gz VBRDTNDHRJGNKL-NSHDSACASA-N 0 0 196.290 2.769 10 30 AFEERN CC#CCCCCOC(=O)C(C)(C)C 768118301 582833494 /nfs/dbraw/zinc/83/34/94/582833494.db2.gz WEKKTBRBSVDZCI-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#C[C@H](CC)OC(=O)C1(CCC)CC1 768062679 582833502 /nfs/dbraw/zinc/83/35/02/582833502.db2.gz NAWWSPLRLLUAHN-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@@H](CC)OC(=O)C[C@@H](C)CCC 768061045 582833536 /nfs/dbraw/zinc/83/35/36/582833536.db2.gz RBNJBLCEGUGJBO-QWRGUYRKSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@@H](CC)OC(=O)CC1CCCC1 768058957 582833544 /nfs/dbraw/zinc/83/35/44/582833544.db2.gz LHDOKDNKCOCLLA-NSHDSACASA-N 0 0 194.274 2.522 10 30 AFEERN C#C[C@H](CC)OC(=O)CC1CCCC1 768058945 582833583 /nfs/dbraw/zinc/83/35/83/582833583.db2.gz LHDOKDNKCOCLLA-LLVKDONJSA-N 0 0 194.274 2.522 10 30 AFEERN CC#CCCCCOC(=O)CC1CC1 768116097 582833602 /nfs/dbraw/zinc/83/36/02/582833602.db2.gz BBAHUKHFJHZACC-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#C[C@@H](CC)OC(=O)/C=C/C(C)(C)C 768059370 582833614 /nfs/dbraw/zinc/83/36/14/582833614.db2.gz LZGZLNSAPLSDDM-DDXVTDLHSA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@@H](CC)OC(=O)C[C@H](C)CCC 768061043 582833658 /nfs/dbraw/zinc/83/36/58/582833658.db2.gz RBNJBLCEGUGJBO-MNOVXSKESA-N 0 0 196.290 2.768 10 30 AFEERN CC#CCCCCOC(=O)/C(C)=C\C 768117922 582833698 /nfs/dbraw/zinc/83/36/98/582833698.db2.gz MSOVGPZPIXMRGU-WZUFQYTHSA-N 0 0 194.274 2.689 10 30 AFEERN C#C[C@@H](CC)OC(=O)C=C(CC)CC 768062391 582833722 /nfs/dbraw/zinc/83/37/22/582833722.db2.gz LRDBDQNRSMXOIW-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C#C[C@@H](CC)OC(=O)[C@@H](C)CC(C)C 768051599 582833751 /nfs/dbraw/zinc/83/37/51/582833751.db2.gz UPJOEIDJCIASHY-QWRGUYRKSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](CC)OC(=O)C1CCCCC1 768058364 582833753 /nfs/dbraw/zinc/83/37/53/582833753.db2.gz GNMTYBLRKIOKFQ-LLVKDONJSA-N 0 0 194.274 2.522 10 30 AFEERN CC#CCCCCOC(=O)[C@H](C)CC 768126439 582833757 /nfs/dbraw/zinc/83/37/57/582833757.db2.gz VBRDTNDHRJGNKL-LLVKDONJSA-N 0 0 196.290 2.769 10 30 AFEERN CC#CCCCCOC(=O)C=C(C)C 768114040 582833763 /nfs/dbraw/zinc/83/37/63/582833763.db2.gz WFSKLCFCYZESPG-UHFFFAOYSA-N 0 0 194.274 2.689 10 30 AFEERN C#C[C@@H](CC)OC(=O)[C@H](C)CC(C)C 768051598 582833782 /nfs/dbraw/zinc/83/37/82/582833782.db2.gz UPJOEIDJCIASHY-MNOVXSKESA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](CC)OC(=O)CC(C)(C)CC 768062221 582833794 /nfs/dbraw/zinc/83/37/94/582833794.db2.gz KTKKVDLSSVARTR-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@@H](CC)OC(=O)CC(CC)CC 768051036 582833797 /nfs/dbraw/zinc/83/37/97/582833797.db2.gz SVPKHWYPWDJALC-NSHDSACASA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)C(C)(CC)CC 768054586 582833803 /nfs/dbraw/zinc/83/38/03/582833803.db2.gz CRGBOOHRFKXXEV-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)/C=C/C(C)(C)C 768059368 582833816 /nfs/dbraw/zinc/83/38/16/582833816.db2.gz LZGZLNSAPLSDDM-AAXQSMANSA-N 0 0 194.274 2.544 10 30 AFEERN C=CCCC(=O)OCCCCC#CC 768126594 582833818 /nfs/dbraw/zinc/83/38/18/582833818.db2.gz WKHWEAAASFNBQY-UHFFFAOYSA-N 0 0 194.274 2.689 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@@H](C)[C@@H](C)CC 768058101 582833823 /nfs/dbraw/zinc/83/38/23/582833823.db2.gz FFCXTRIZOVJBHR-GARJFASQSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@@H](C)CC(C)C 768051600 582833841 /nfs/dbraw/zinc/83/38/41/582833841.db2.gz UPJOEIDJCIASHY-WDEREUQCSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](CC)OC(=O)CC(C)(C)CC 768062225 582833891 /nfs/dbraw/zinc/83/38/91/582833891.db2.gz KTKKVDLSSVARTR-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)C=C(CC)CC 768062388 582833894 /nfs/dbraw/zinc/83/38/94/582833894.db2.gz LRDBDQNRSMXOIW-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C#C[C@@H](CC)OC(=O)C(C)(CC)CC 768054584 582833898 /nfs/dbraw/zinc/83/38/98/582833898.db2.gz CRGBOOHRFKXXEV-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)CC(CC)CC 768051035 582833909 /nfs/dbraw/zinc/83/39/09/582833909.db2.gz SVPKHWYPWDJALC-LLVKDONJSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)C[C@H](C)CCC 768061041 582833912 /nfs/dbraw/zinc/83/39/12/582833912.db2.gz RBNJBLCEGUGJBO-GHMZBOCLSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@H](C)[C@@H](C)CC 768058107 582833916 /nfs/dbraw/zinc/83/39/16/582833916.db2.gz FFCXTRIZOVJBHR-HBNTYKKESA-N 0 0 196.290 2.624 10 30 AFEERN CC#CCCCCOC(=O)C1CCC1 768125277 582833925 /nfs/dbraw/zinc/83/39/25/582833925.db2.gz QBZDXGWTOLGUDB-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#C[C@@H](CC)OC(=O)/C=C\C(C)(C)C 768059372 582833956 /nfs/dbraw/zinc/83/39/56/582833956.db2.gz LZGZLNSAPLSDDM-QROTZFDESA-N 0 0 194.274 2.544 10 30 AFEERN CC#CCCCCOC(=O)C1(C)CC1 768117354 582833998 /nfs/dbraw/zinc/83/39/98/582833998.db2.gz RMNBSQBETNHWMI-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@@H](C)[C@H](C)CC 768058110 582834009 /nfs/dbraw/zinc/83/40/09/582834009.db2.gz FFCXTRIZOVJBHR-OUAUKWLOSA-N 0 0 196.290 2.624 10 30 AFEERN CC#CCCCCOC(=O)CCCC 768116686 582834029 /nfs/dbraw/zinc/83/40/29/582834029.db2.gz JYOKLGGJMRWTPT-UHFFFAOYSA-N 0 0 196.290 2.913 10 30 AFEERN C#C[C@@H](CC)OC(=O)C1CCCCC1 768058365 582834036 /nfs/dbraw/zinc/83/40/36/582834036.db2.gz GNMTYBLRKIOKFQ-NSHDSACASA-N 0 0 194.274 2.522 10 30 AFEERN CC#CCCCCOC(=O)/C(C)=C/C 768117921 582834055 /nfs/dbraw/zinc/83/40/55/582834055.db2.gz MSOVGPZPIXMRGU-VZUCSPMQSA-N 0 0 194.274 2.689 10 30 AFEERN CC#CCCCCOC(=O)CC(C)C 768125264 582834058 /nfs/dbraw/zinc/83/40/58/582834058.db2.gz ONOQGKLORZARLT-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@H](C)[C@H](C)CC 768058104 582834088 /nfs/dbraw/zinc/83/40/88/582834088.db2.gz FFCXTRIZOVJBHR-GMTAPVOTSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](CC)OC(=O)C1(CCC)CC1 768062678 582834096 /nfs/dbraw/zinc/83/40/96/582834096.db2.gz NAWWSPLRLLUAHN-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C=CCCC[C@H](C)OC(=O)[C@H]1C[C@@H]1C 769142666 582837859 /nfs/dbraw/zinc/83/78/59/582837859.db2.gz HBFNZHLQRVPABR-DCAQKATOSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCCC[C@@H](C)OC(=O)[C@H]1C[C@@H]1C 769142665 582838001 /nfs/dbraw/zinc/83/80/01/582838001.db2.gz HBFNZHLQRVPABR-AXFHLTTASA-N 0 0 196.290 2.930 10 30 AFEERN C=CCCOC(=O)C[C@@H]1CCC[C@H]1C 769175289 582838041 /nfs/dbraw/zinc/83/80/41/582838041.db2.gz FOVSTSATHCLTAW-MNOVXSKESA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)C[C@@H]1CCC[C@@H]1C 769175290 582838195 /nfs/dbraw/zinc/83/81/95/582838195.db2.gz FOVSTSATHCLTAW-QWRGUYRKSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)C[C@H]1CCC[C@@H]1C 769175291 582838302 /nfs/dbraw/zinc/83/83/02/582838302.db2.gz FOVSTSATHCLTAW-WDEREUQCSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)C[C@H]1CCC[C@H]1C 769175288 582838390 /nfs/dbraw/zinc/83/83/90/582838390.db2.gz FOVSTSATHCLTAW-GHMZBOCLSA-N 0 0 196.290 2.932 10 30 AFEERN CCCCCCC=NN1CCCC1=O 769588325 582839943 /nfs/dbraw/zinc/83/99/43/582839943.db2.gz DMNXUOIVGSTYJZ-UHFFFAOYSA-N 0 0 196.294 2.565 10 30 AFEERN CCON=C1CC[C@@H]1c1ccccc1 769773787 582840837 /nfs/dbraw/zinc/84/08/37/582840837.db2.gz BSXNPFOAGJHWKG-LLVKDONJSA-N 0 0 189.258 2.957 10 30 AFEERN CCON=C1CC[C@H]1c1ccccc1 769773790 582840909 /nfs/dbraw/zinc/84/09/09/582840909.db2.gz BSXNPFOAGJHWKG-NSHDSACASA-N 0 0 189.258 2.957 10 30 AFEERN CCC(C)(C)CC(=O)OC[C@H](C)C#N 770951645 582844166 /nfs/dbraw/zinc/84/41/66/582844166.db2.gz YOIJQQNKVJXQIS-SECBINFHSA-N 0 0 197.278 2.516 10 30 AFEERN CCC[C@@H](C)CC(=O)OC[C@H](C)C#N 770732166 582841676 /nfs/dbraw/zinc/84/16/76/582841676.db2.gz FIFKBTWJWASSKA-NXEZZACHSA-N 0 0 197.278 2.516 10 30 AFEERN Cc1cnc([C@H](C)ON=C2CCC2)o1 770693302 582842177 /nfs/dbraw/zinc/84/21/77/582842177.db2.gz RTEKHUYJTCDSAI-QMMMGPOBSA-N 0 0 194.234 2.601 10 30 AFEERN CCC[C@H](C)CC(=O)OC[C@@H](C)C#N 770732168 582842258 /nfs/dbraw/zinc/84/22/58/582842258.db2.gz FIFKBTWJWASSKA-UWVGGRQHSA-N 0 0 197.278 2.516 10 30 AFEERN Cc1cnc([C@@H](C)ON=C2CCC2)o1 770693301 582842366 /nfs/dbraw/zinc/84/23/66/582842366.db2.gz RTEKHUYJTCDSAI-MRVPVSSYSA-N 0 0 194.234 2.601 10 30 AFEERN CCC[C@H](C)CC(=O)OC[C@H](C)C#N 770732170 582842371 /nfs/dbraw/zinc/84/23/71/582842371.db2.gz FIFKBTWJWASSKA-VHSXEESVSA-N 0 0 197.278 2.516 10 30 AFEERN CCC[C@@H](C)CC(=O)OC[C@@H](C)C#N 770732172 582842411 /nfs/dbraw/zinc/84/24/11/582842411.db2.gz FIFKBTWJWASSKA-ZJUUUORDSA-N 0 0 197.278 2.516 10 30 AFEERN C[C@H](C#N)COC(=O)CCC(C)(C)C 770931513 582842717 /nfs/dbraw/zinc/84/27/17/582842717.db2.gz SKSCYUWXIHAAOY-SECBINFHSA-N 0 0 197.278 2.516 10 30 AFEERN C[C@@H](C#N)COC(=O)CCC(C)(C)C 770931516 582843005 /nfs/dbraw/zinc/84/30/05/582843005.db2.gz SKSCYUWXIHAAOY-VIFPVBQESA-N 0 0 197.278 2.516 10 30 AFEERN CCC(CC)CC(=O)OC[C@@H](C)C#N 770930531 582843230 /nfs/dbraw/zinc/84/32/30/582843230.db2.gz SKHNRHIWPUFRKU-VIFPVBQESA-N 0 0 197.278 2.516 10 30 AFEERN CCC(CC)CC(=O)OC[C@H](C)C#N 770930530 582843267 /nfs/dbraw/zinc/84/32/67/582843267.db2.gz SKHNRHIWPUFRKU-SECBINFHSA-N 0 0 197.278 2.516 10 30 AFEERN CCC(C)(C)CC(=O)OC[C@@H](C)C#N 770951665 582844103 /nfs/dbraw/zinc/84/41/03/582844103.db2.gz YOIJQQNKVJXQIS-VIFPVBQESA-N 0 0 197.278 2.516 10 30 AFEERN CC(C)(C#N)CCCON=C1CCC1 771179243 582844611 /nfs/dbraw/zinc/84/46/11/582844611.db2.gz AGAMFCSHMAWYAF-UHFFFAOYSA-N 0 0 194.278 2.873 10 30 AFEERN CCCC(=CC(=O)OCC#N)CCC 771138509 582845036 /nfs/dbraw/zinc/84/50/36/582845036.db2.gz BAGVPDPVEMOANJ-UHFFFAOYSA-N 0 0 195.262 2.580 10 30 AFEERN C=C(C)CON=Cc1ccccc1C 771651684 582846971 /nfs/dbraw/zinc/84/69/71/582846971.db2.gz AXFMJVFMJASJAZ-UHFFFAOYSA-N 0 0 189.258 2.922 10 30 AFEERN C=C(C)CON=C(C)c1ccc(C)o1 771653488 582847155 /nfs/dbraw/zinc/84/71/55/582847155.db2.gz GDLATERRULTSPI-UHFFFAOYSA-N 0 0 193.246 2.905 10 30 AFEERN CCCC(CCC)=NN[C@@H](C)CC#N 771889054 582847544 /nfs/dbraw/zinc/84/75/44/582847544.db2.gz PQNNLMBKAVMYDP-JTQLQIEISA-N 0 0 195.310 2.834 10 30 AFEERN CCCCC(CC)=NN[C@H](C)CC#N 771888947 582847680 /nfs/dbraw/zinc/84/76/80/582847680.db2.gz NPDAAHRJLHONLN-SNVBAGLBSA-N 0 0 195.310 2.834 10 30 AFEERN C[C@@H](CC#N)NN=C1CCCCCC1 771881004 582847783 /nfs/dbraw/zinc/84/77/83/582847783.db2.gz OZSNZNLOVVIRSB-JTQLQIEISA-N 0 0 193.294 2.588 10 30 AFEERN CCCCCC(C)=NN[C@@H](C)CC#N 771885113 582847904 /nfs/dbraw/zinc/84/79/04/582847904.db2.gz IGOSMFPCDVNRFP-NSHDSACASA-N 0 0 195.310 2.834 10 30 AFEERN CCCCCC(C)=NN[C@H](C)CC#N 771885111 582847916 /nfs/dbraw/zinc/84/79/16/582847916.db2.gz IGOSMFPCDVNRFP-LLVKDONJSA-N 0 0 195.310 2.834 10 30 AFEERN CCCC(CCC)=NN[C@H](C)CC#N 771889055 582848087 /nfs/dbraw/zinc/84/80/87/582848087.db2.gz PQNNLMBKAVMYDP-SNVBAGLBSA-N 0 0 195.310 2.834 10 30 AFEERN C=CCCC(CC)=NN[C@H](C)CC#N 771886357 582848131 /nfs/dbraw/zinc/84/81/31/582848131.db2.gz PQAXXHMBGJLWSZ-SNVBAGLBSA-N 0 0 193.294 2.610 10 30 AFEERN C=CCCC(CC)=NN[C@@H](C)CC#N 771886356 582848136 /nfs/dbraw/zinc/84/81/36/582848136.db2.gz PQAXXHMBGJLWSZ-JTQLQIEISA-N 0 0 193.294 2.610 10 30 AFEERN C[C@H](CC#N)NN=C1CCCCCC1 771881005 582848172 /nfs/dbraw/zinc/84/81/72/582848172.db2.gz OZSNZNLOVVIRSB-SNVBAGLBSA-N 0 0 193.294 2.588 10 30 AFEERN CCCCC(CC)=NN[C@@H](C)CC#N 771888946 582848220 /nfs/dbraw/zinc/84/82/20/582848220.db2.gz NPDAAHRJLHONLN-JTQLQIEISA-N 0 0 195.310 2.834 10 30 AFEERN C=C[C@H](C)NC(=O)/C(C)=C/C(C)(C)C 772159783 582848843 /nfs/dbraw/zinc/84/88/43/582848843.db2.gz QGTSZOZOORXXHF-DDXVTDLHSA-N 0 0 195.306 2.670 10 30 AFEERN C[C@@H](C#N)OC(=O)[C@@H](C)CC(C)(C)C 772615069 582850878 /nfs/dbraw/zinc/85/08/78/582850878.db2.gz KPMJBGBMPHMEMQ-IUCAKERBSA-N 0 0 197.278 2.514 10 30 AFEERN C=C[C@@H](C)NC(=O)/C(C)=C/C(C)(C)C 772159778 582849168 /nfs/dbraw/zinc/84/91/68/582849168.db2.gz QGTSZOZOORXXHF-AAXQSMANSA-N 0 0 195.306 2.670 10 30 AFEERN C=C[C@H](C)NC(=O)/C(C)=C\C(C)(C)C 772159787 582849226 /nfs/dbraw/zinc/84/92/26/582849226.db2.gz QGTSZOZOORXXHF-QROTZFDESA-N 0 0 195.306 2.670 10 30 AFEERN C=C[C@@H](C)NC(=O)/C(C)=C\C(C)(C)C 772159785 582849453 /nfs/dbraw/zinc/84/94/53/582849453.db2.gz QGTSZOZOORXXHF-HSTULFTRSA-N 0 0 195.306 2.670 10 30 AFEERN C=C(CC)COC(=O)[C@H]1C[C@H]1C(C)C 772491181 582849786 /nfs/dbraw/zinc/84/97/86/582849786.db2.gz ALMDCWXPZWIMPR-QWRGUYRKSA-N 0 0 196.290 2.788 10 30 AFEERN C=CCCOC(=O)[C@@H]1CCCC1(C)C 772613375 582849822 /nfs/dbraw/zinc/84/98/22/582849822.db2.gz CFBXKVXIZWIQEW-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCCOC(=O)[C@H]1C[C@@H]1C(C)C 772495706 582849832 /nfs/dbraw/zinc/84/98/32/582849832.db2.gz ITRCPLZFDMQTET-MNOVXSKESA-N 0 0 196.290 2.788 10 30 AFEERN C=C(CC)COC(=O)[C@@H]1C[C@@H]1C(C)C 772491173 582850055 /nfs/dbraw/zinc/85/00/55/582850055.db2.gz ALMDCWXPZWIMPR-GHMZBOCLSA-N 0 0 196.290 2.788 10 30 AFEERN C=CCCOC(=O)[C@H]1CCCC1(C)C 772613376 582850129 /nfs/dbraw/zinc/85/01/29/582850129.db2.gz CFBXKVXIZWIQEW-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCCOC(=O)[C@@H]1C[C@@H]1C(C)C 772495705 582850132 /nfs/dbraw/zinc/85/01/32/582850132.db2.gz ITRCPLZFDMQTET-GHMZBOCLSA-N 0 0 196.290 2.788 10 30 AFEERN C=CCCCOC(=O)[C@@H]1C[C@H]1C(C)C 772495708 582850142 /nfs/dbraw/zinc/85/01/42/582850142.db2.gz ITRCPLZFDMQTET-WDEREUQCSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(CC)COC(=O)[C@H]1C[C@@H]1C(C)C 772491177 582850323 /nfs/dbraw/zinc/85/03/23/582850323.db2.gz ALMDCWXPZWIMPR-MNOVXSKESA-N 0 0 196.290 2.788 10 30 AFEERN C=CCCCOC(=O)[C@H]1C[C@H]1C(C)C 772495707 582850365 /nfs/dbraw/zinc/85/03/65/582850365.db2.gz ITRCPLZFDMQTET-QWRGUYRKSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(CC)COC(=O)[C@@H]1C[C@H]1C(C)C 772491183 582850406 /nfs/dbraw/zinc/85/04/06/582850406.db2.gz ALMDCWXPZWIMPR-WDEREUQCSA-N 0 0 196.290 2.788 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@H]1CC1(C)C 772780084 582850782 /nfs/dbraw/zinc/85/07/82/582850782.db2.gz DNPUPCPVQYILRU-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C#CCCOC(=O)[C@@H](C)CC(C)(C)C 772616083 582850807 /nfs/dbraw/zinc/85/08/07/582850807.db2.gz WGKAVKGZRGHCOR-JTQLQIEISA-N 0 0 196.290 2.625 10 30 AFEERN C=CCC[C@H](C)OC(=O)c1ccoc1 772780083 582850845 /nfs/dbraw/zinc/85/08/45/582850845.db2.gz DKHZTHMNAZIFOJ-VIFPVBQESA-N 0 0 194.230 2.791 10 30 AFEERN CC#CCOC(=O)[C@@H](C)CC(C)(C)C 772617254 582850952 /nfs/dbraw/zinc/85/09/52/582850952.db2.gz XUTBRDBWYKMHFH-JTQLQIEISA-N 0 0 196.290 2.625 10 30 AFEERN C#CCCOC(=O)[C@H](C)CC(C)(C)C 772616682 582851006 /nfs/dbraw/zinc/85/10/06/582851006.db2.gz WGKAVKGZRGHCOR-SNVBAGLBSA-N 0 0 196.290 2.625 10 30 AFEERN C[C@@H](C#N)OC(=O)[C@H](C)CC(C)(C)C 772615067 582851049 /nfs/dbraw/zinc/85/10/49/582851049.db2.gz KPMJBGBMPHMEMQ-BDAKNGLRSA-N 0 0 197.278 2.514 10 30 AFEERN C[C@H](C#N)OC(=O)[C@H](C)CC(C)(C)C 772615070 582851181 /nfs/dbraw/zinc/85/11/81/582851181.db2.gz KPMJBGBMPHMEMQ-RKDXNWHRSA-N 0 0 197.278 2.514 10 30 AFEERN C=CCC[C@@H](C)OC(=O)c1ccoc1 772780082 582851272 /nfs/dbraw/zinc/85/12/72/582851272.db2.gz DKHZTHMNAZIFOJ-SECBINFHSA-N 0 0 194.230 2.791 10 30 AFEERN C[C@@H](CC(C)(C)C)C(=O)O[C@H](C)C#N 772615068 582851279 /nfs/dbraw/zinc/85/12/79/582851279.db2.gz KPMJBGBMPHMEMQ-DTWKUNHWSA-N 0 0 197.278 2.514 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@H]1CC1(C)C 772780085 582851297 /nfs/dbraw/zinc/85/12/97/582851297.db2.gz DNPUPCPVQYILRU-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN CC#CCOC(=O)[C@H](C)CC(C)(C)C 772617256 582851316 /nfs/dbraw/zinc/85/13/16/582851316.db2.gz XUTBRDBWYKMHFH-SNVBAGLBSA-N 0 0 196.290 2.625 10 30 AFEERN C=CCC[C@@H](C)OC(=O)C=C1CCC1 772780986 582851554 /nfs/dbraw/zinc/85/15/54/582851554.db2.gz CGKCLGCBFTZHNR-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CC1(C)C 772783851 582851652 /nfs/dbraw/zinc/85/16/52/582851652.db2.gz DNPUPCPVQYILRU-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCC[C@@H](C)OC(=O)C1CC=CC1 772780893 582851685 /nfs/dbraw/zinc/85/16/85/582851685.db2.gz AIEKYSHRGVNEHS-SNVBAGLBSA-N 0 0 194.274 2.851 10 30 AFEERN C=CCN(C(=O)/C=C/CCC)C1CC1 772894720 582851732 /nfs/dbraw/zinc/85/17/32/582851732.db2.gz ASDHMGFWZFHNHX-VOTSOKGWSA-N 0 0 193.290 2.520 10 30 AFEERN C=CCC[C@H](C)OC(=O)/C=C/C1CC1 772781232 582851818 /nfs/dbraw/zinc/85/18/18/582851818.db2.gz XJTIXSSYSITIEB-DDXVTDLHSA-N 0 0 194.274 2.851 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@H](C)C1CC1 772786263 582851839 /nfs/dbraw/zinc/85/18/39/582851839.db2.gz YCGHQZDTGGDZLS-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C#CCCOC(=O)/C(C)=C/C(C)(C)C 772812219 582851893 /nfs/dbraw/zinc/85/18/93/582851893.db2.gz DWMXALRUNGCJEY-MDZDMXLPSA-N 0 0 194.274 2.545 10 30 AFEERN CC#CCOC(=O)/C(C)=C\C(C)(C)C 772811895 582851911 /nfs/dbraw/zinc/85/19/11/582851911.db2.gz CTYSRMPEUFMBDQ-KTKRTIGZSA-N 0 0 194.274 2.545 10 30 AFEERN C=CCN(C(=O)/C=C\CCC)C1CC1 772894718 582851924 /nfs/dbraw/zinc/85/19/24/582851924.db2.gz ASDHMGFWZFHNHX-SREVYHEPSA-N 0 0 193.290 2.520 10 30 AFEERN CC#CCOC(=O)/C(C)=C/C(C)(C)C 772811897 582851984 /nfs/dbraw/zinc/85/19/84/582851984.db2.gz CTYSRMPEUFMBDQ-MDZDMXLPSA-N 0 0 194.274 2.545 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@@H](C)C1CC1 772786266 582852000 /nfs/dbraw/zinc/85/20/00/582852000.db2.gz YCGHQZDTGGDZLS-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCC[C@H](C)OC(=O)/C=C\C1CC1 772781236 582852134 /nfs/dbraw/zinc/85/21/34/582852134.db2.gz XJTIXSSYSITIEB-QROTZFDESA-N 0 0 194.274 2.851 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@H](C)C1CC1 772786265 582852145 /nfs/dbraw/zinc/85/21/45/582852145.db2.gz YCGHQZDTGGDZLS-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCC[C@H](C)OC(=O)C=C1CCC1 772780985 582852178 /nfs/dbraw/zinc/85/21/78/582852178.db2.gz CGKCLGCBFTZHNR-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@@H]1CC1(C)C 772783847 582852263 /nfs/dbraw/zinc/85/22/63/582852263.db2.gz DNPUPCPVQYILRU-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCC[C@H](C)OC(=O)c1ccco1 772781226 582852265 /nfs/dbraw/zinc/85/22/65/582852265.db2.gz FLKFUBPSEVLNCP-VIFPVBQESA-N 0 0 194.230 2.791 10 30 AFEERN C=CCC[C@H](C)OC(=O)C1=CCCC1 772783008 582852273 /nfs/dbraw/zinc/85/22/73/582852273.db2.gz ZHKJJTMYONIQHB-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=CCC[C@@H](C)OC(=O)c1ccco1 772781224 582852280 /nfs/dbraw/zinc/85/22/80/582852280.db2.gz FLKFUBPSEVLNCP-SECBINFHSA-N 0 0 194.230 2.791 10 30 AFEERN C=CCC[C@@H](C)OC(=O)/C=C/C1CC1 772781230 582852301 /nfs/dbraw/zinc/85/23/01/582852301.db2.gz XJTIXSSYSITIEB-AAXQSMANSA-N 0 0 194.274 2.851 10 30 AFEERN C=CCC[C@@H](C)OC(=O)C1=CCCC1 772783009 582852309 /nfs/dbraw/zinc/85/23/09/582852309.db2.gz ZHKJJTMYONIQHB-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C#CCCOC(=O)/C(C)=C\C(C)(C)C 772812215 582852329 /nfs/dbraw/zinc/85/23/29/582852329.db2.gz DWMXALRUNGCJEY-KTKRTIGZSA-N 0 0 194.274 2.545 10 30 AFEERN C=CCC[C@@H](C)OC(=O)/C=C\C1CC1 772781234 582852331 /nfs/dbraw/zinc/85/23/31/582852331.db2.gz XJTIXSSYSITIEB-HSTULFTRSA-N 0 0 194.274 2.851 10 30 AFEERN C=CCC[C@H](C)OC(=O)C1CC=CC1 772780892 582852347 /nfs/dbraw/zinc/85/23/47/582852347.db2.gz AIEKYSHRGVNEHS-JTQLQIEISA-N 0 0 194.274 2.851 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@@H](C)C1CC1 772786264 582852350 /nfs/dbraw/zinc/85/23/50/582852350.db2.gz YCGHQZDTGGDZLS-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(CC)COC(=O)c1ccoc1C 773474410 582854142 /nfs/dbraw/zinc/85/41/42/582854142.db2.gz DGWULNXLCQEZQO-UHFFFAOYSA-N 0 0 194.230 2.711 10 30 AFEERN C=C(CC)COC(=O)[C@@H]1CC=CCC1 773456037 582854154 /nfs/dbraw/zinc/85/41/54/582854154.db2.gz HUHASATWLQZISV-LLVKDONJSA-N 0 0 194.274 2.852 10 30 AFEERN C=C(CC)COC(=O)[C@H]1CC=CCC1 773456038 582854663 /nfs/dbraw/zinc/85/46/63/582854663.db2.gz HUHASATWLQZISV-NSHDSACASA-N 0 0 194.274 2.852 10 30 AFEERN C#CCCNc1ccc(C)c(CC)c1 300784696 582855328 /nfs/dbraw/zinc/85/53/28/582855328.db2.gz WIKZFJXAWACVTN-UHFFFAOYSA-N 0 0 187.286 2.993 10 30 AFEERN C=C(C)CN1CCc2cc(C)ccc21 773647273 582855529 /nfs/dbraw/zinc/85/55/29/582855529.db2.gz AESISSXIJDABQT-UHFFFAOYSA-N 0 0 187.286 2.934 10 30 AFEERN C#CCCCCC(=O)OCCCCC 773637131 582855628 /nfs/dbraw/zinc/85/56/28/582855628.db2.gz AKPSUDNLNXITES-UHFFFAOYSA-N 0 0 196.290 2.913 10 30 AFEERN C#CCCCCC(=O)OC1(C)CCC1 773781679 582855977 /nfs/dbraw/zinc/85/59/77/582855977.db2.gz GHOZMXXEQQKFSJ-UHFFFAOYSA-N 0 0 194.274 2.666 10 30 AFEERN C#CCCCCC(=O)O[C@H](C)C(C)C 773798896 582856140 /nfs/dbraw/zinc/85/61/40/582856140.db2.gz DMFYMRPUALSXKU-LLVKDONJSA-N 0 0 196.290 2.768 10 30 AFEERN C#CCCCCC(=O)O[C@@H](C)C(C)C 773798906 582856225 /nfs/dbraw/zinc/85/62/25/582856225.db2.gz DMFYMRPUALSXKU-NSHDSACASA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@H](C)CC(C)(C)C 774107140 582857384 /nfs/dbraw/zinc/85/73/84/582857384.db2.gz VRNURGNXHRRZCZ-NXEZZACHSA-N 0 0 196.290 2.624 10 30 AFEERN C=C(C)COC(=O)[C@@H]1C[C@]1(C)C(C)C 773995458 582856991 /nfs/dbraw/zinc/85/69/91/582856991.db2.gz CNMVVRMETUXDGZ-CMPLNLGQSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)COC(=O)[C@H]1C[C@]1(C)C(C)C 773995463 582857003 /nfs/dbraw/zinc/85/70/03/582857003.db2.gz CNMVVRMETUXDGZ-ZYHUDNBSSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)COC(=O)[C@H]1C[C@@]1(C)C(C)C 773995461 582857126 /nfs/dbraw/zinc/85/71/26/582857126.db2.gz CNMVVRMETUXDGZ-PWSUYJOCSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)COC(=O)[C@@H]1C[C@@]1(C)C(C)C 773995460 582857142 /nfs/dbraw/zinc/85/71/42/582857142.db2.gz CNMVVRMETUXDGZ-JQWIXIFHSA-N 0 0 196.290 2.788 10 30 AFEERN C#C[C@H](C)OC(=O)[C@@H](C)CC(C)(C)C 774107141 582857322 /nfs/dbraw/zinc/85/73/22/582857322.db2.gz VRNURGNXHRRZCZ-UWVGGRQHSA-N 0 0 196.290 2.624 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1C[C@@H]1C(C)C 774293475 582858596 /nfs/dbraw/zinc/85/85/96/582858596.db2.gz RJDSVZXQMHOFJG-GMTAPVOTSA-N 0 0 196.290 2.786 10 30 AFEERN CCOCCON=C1CCC[C@H](C)C1 774416724 582858630 /nfs/dbraw/zinc/85/86/30/582858630.db2.gz GNRYKHDJTYNCDQ-JTQLQIEISA-N 0 0 199.294 2.606 10 30 AFEERN C=C(C)CCOC(=O)[C@@H]1C[C@H]1C(C)C 774114528 582857449 /nfs/dbraw/zinc/85/74/49/582857449.db2.gz MKPLFDFPCXQYED-WDEREUQCSA-N 0 0 196.290 2.788 10 30 AFEERN C#C[C@H](C)OC(=O)[C@H](C)CC(C)(C)C 774107143 582857534 /nfs/dbraw/zinc/85/75/34/582857534.db2.gz VRNURGNXHRRZCZ-ZJUUUORDSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](C)OC(=O)/C(C)=C/C(C)(C)C 774103035 582857570 /nfs/dbraw/zinc/85/75/70/582857570.db2.gz HEDNRRCEPYOAAX-AAXQSMANSA-N 0 0 194.274 2.544 10 30 AFEERN C=C(C)CCOC(=O)[C@H]1C[C@H]1C(C)C 774114527 582857701 /nfs/dbraw/zinc/85/77/01/582857701.db2.gz MKPLFDFPCXQYED-QWRGUYRKSA-N 0 0 196.290 2.788 10 30 AFEERN C#C[C@H](C)OC(=O)/C(C)=C/C(C)(C)C 774103039 582857704 /nfs/dbraw/zinc/85/77/04/582857704.db2.gz HEDNRRCEPYOAAX-DDXVTDLHSA-N 0 0 194.274 2.544 10 30 AFEERN C=C(C)CCOC(=O)[C@@H]1C[C@@H]1C(C)C 774114521 582857705 /nfs/dbraw/zinc/85/77/05/582857705.db2.gz MKPLFDFPCXQYED-GHMZBOCLSA-N 0 0 196.290 2.788 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@@H](C)CC(C)(C)C 774107142 582857743 /nfs/dbraw/zinc/85/77/43/582857743.db2.gz VRNURGNXHRRZCZ-VHSXEESVSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](C)OC(=O)/C(C)=C\C(C)(C)C 774103045 582857824 /nfs/dbraw/zinc/85/78/24/582857824.db2.gz HEDNRRCEPYOAAX-QROTZFDESA-N 0 0 194.274 2.544 10 30 AFEERN C#C[C@@H](C)OC(=O)/C(C)=C\C(C)(C)C 774103040 582857840 /nfs/dbraw/zinc/85/78/40/582857840.db2.gz HEDNRRCEPYOAAX-HSTULFTRSA-N 0 0 194.274 2.544 10 30 AFEERN C=C(C)CCOC(=O)[C@H]1C[C@@H]1C(C)C 774114524 582857874 /nfs/dbraw/zinc/85/78/74/582857874.db2.gz MKPLFDFPCXQYED-MNOVXSKESA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H]1C[C@@H]1C(C)C 774391691 582858063 /nfs/dbraw/zinc/85/80/63/582858063.db2.gz UVGWUFFFXHNIPD-AXFHLTTASA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H]1C[C@H]1C(C)C 774293478 582858069 /nfs/dbraw/zinc/85/80/69/582858069.db2.gz RJDSVZXQMHOFJG-VWYCJHECSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H]1C[C@@H]1C(C)C 774293476 582858092 /nfs/dbraw/zinc/85/80/92/582858092.db2.gz RJDSVZXQMHOFJG-MXWKQRLJSA-N 0 0 196.290 2.786 10 30 AFEERN C=CCCC(C)=NOC1CCOCC1 774466912 582858109 /nfs/dbraw/zinc/85/81/09/582858109.db2.gz CXHNLQDNFVEBDH-UHFFFAOYSA-N 0 0 197.278 2.524 10 30 AFEERN CCC(=NOC1CCOCC1)C(C)C 774434136 582858151 /nfs/dbraw/zinc/85/81/51/582858151.db2.gz HVXJJVAQHYSSHG-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1C[C@@H]1C(C)C 774391707 582858276 /nfs/dbraw/zinc/85/82/76/582858276.db2.gz UVGWUFFFXHNIPD-HBNTYKKESA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1C[C@H]1C(C)C 774293477 582858377 /nfs/dbraw/zinc/85/83/77/582858377.db2.gz RJDSVZXQMHOFJG-OUAUKWLOSA-N 0 0 196.290 2.786 10 30 AFEERN CCOCCON=CC1CCCCC1 774416201 582858425 /nfs/dbraw/zinc/85/84/25/582858425.db2.gz DUHLPQPWUAHQIO-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN CCOCCON=C1CCC(C)CC1 774429659 582858458 /nfs/dbraw/zinc/85/84/58/582858458.db2.gz BDLWXYFYJMVEMA-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@H]1C[C@H]1C(C)C 774391698 582858564 /nfs/dbraw/zinc/85/85/64/582858564.db2.gz UVGWUFFFXHNIPD-DCAQKATOSA-N 0 0 196.290 2.786 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1C[C@H]1C(C)C 774391700 582858576 /nfs/dbraw/zinc/85/85/76/582858576.db2.gz UVGWUFFFXHNIPD-GARJFASQSA-N 0 0 196.290 2.786 10 30 AFEERN C=CCCC(CC)=NOCCOCC 774430770 582858645 /nfs/dbraw/zinc/85/86/45/582858645.db2.gz CKLYLODEVSHOCI-UHFFFAOYSA-N 0 0 199.294 2.772 10 30 AFEERN CCOCCON=C1CCC[C@@H](C)C1 774416725 582858738 /nfs/dbraw/zinc/85/87/38/582858738.db2.gz GNRYKHDJTYNCDQ-SNVBAGLBSA-N 0 0 199.294 2.606 10 30 AFEERN CCCC(CC)=NOC1CCOCC1 774440561 582858749 /nfs/dbraw/zinc/85/87/49/582858749.db2.gz HUUABCYCRMVAFY-UHFFFAOYSA-N 0 0 199.294 2.748 10 30 AFEERN COCCCC(C)=NOC1CCCC1 774601392 582858947 /nfs/dbraw/zinc/85/89/47/582858947.db2.gz CNSGPEZSVGSVOI-UHFFFAOYSA-N 0 0 199.294 2.748 10 30 AFEERN Cc1ccoc1C=NOC1CCCC1 774602244 582859047 /nfs/dbraw/zinc/85/90/47/582859047.db2.gz GPACTAGCEZGTSO-UHFFFAOYSA-N 0 0 193.246 2.881 10 30 AFEERN CCC(CC)CNN=Cc1ccoc1 774474974 582859061 /nfs/dbraw/zinc/85/90/61/582859061.db2.gz OJVHZDLEOMOJHQ-UHFFFAOYSA-N 0 0 194.278 2.639 10 30 AFEERN CCC[C@H](C)C=NOC1CCOCC1 774469346 582859073 /nfs/dbraw/zinc/85/90/73/582859073.db2.gz LMTTVDPBHDMASZ-JTQLQIEISA-N 0 0 199.294 2.604 10 30 AFEERN CCC[C@@H](C)C=NOC1CCOCC1 774469347 582859113 /nfs/dbraw/zinc/85/91/13/582859113.db2.gz LMTTVDPBHDMASZ-SNVBAGLBSA-N 0 0 199.294 2.604 10 30 AFEERN C(=NOC1CCCC1)c1ccccc1 774601546 582859243 /nfs/dbraw/zinc/85/92/43/582859243.db2.gz DCYOQINUVZSKFT-UHFFFAOYSA-N 0 0 189.258 2.980 10 30 AFEERN C[C@@H]1CC(=NOC2CCCC2)CCO1 774596606 582859309 /nfs/dbraw/zinc/85/93/09/582859309.db2.gz HLYGLFUZUZQGJF-SECBINFHSA-N 0 0 197.278 2.501 10 30 AFEERN C[C@H]1CC(=NOC2CCCC2)CCO1 774596607 582859314 /nfs/dbraw/zinc/85/93/14/582859314.db2.gz HLYGLFUZUZQGJF-VIFPVBQESA-N 0 0 197.278 2.501 10 30 AFEERN CC(=NOC1CCCC1)c1ccoc1 774606796 582859406 /nfs/dbraw/zinc/85/94/06/582859406.db2.gz GWBZELJGVMCWKO-UHFFFAOYSA-N 0 0 193.246 2.963 10 30 AFEERN C=CCCC(=O)OC[C@@H]1C[C@H]1C(C)C 774868939 582861096 /nfs/dbraw/zinc/86/10/96/582861096.db2.gz VCJAXJNSFYOXDB-QWRGUYRKSA-N 0 0 196.290 2.788 10 30 AFEERN C=CCCC(=O)OC[C@H]1C[C@@H]1C(C)C 774868935 582861004 /nfs/dbraw/zinc/86/10/04/582861004.db2.gz VCJAXJNSFYOXDB-GHMZBOCLSA-N 0 0 196.290 2.788 10 30 AFEERN C=CCCC(=O)OC[C@H]1C[C@H]1C(C)C 774868937 582861654 /nfs/dbraw/zinc/86/16/54/582861654.db2.gz VCJAXJNSFYOXDB-MNOVXSKESA-N 0 0 196.290 2.788 10 30 AFEERN C=CCCC(=O)OC[C@@H]1C[C@@H]1C(C)C 774868941 582861847 /nfs/dbraw/zinc/86/18/47/582861847.db2.gz VCJAXJNSFYOXDB-WDEREUQCSA-N 0 0 196.290 2.788 10 30 AFEERN C=C[C@H](CC)OC(=O)C1=C(C)CCC1 776104604 582864414 /nfs/dbraw/zinc/86/44/14/582864414.db2.gz IXIXZQOZMZWWJE-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@@H](CC)OC(=O)c1ccoc1C 776100383 582864422 /nfs/dbraw/zinc/86/44/22/582864422.db2.gz DJAINMZAJPDZEY-VIFPVBQESA-N 0 0 194.230 2.709 10 30 AFEERN CCCCC[C@@H](CC)C(=O)OCC#N 775928260 582864427 /nfs/dbraw/zinc/86/44/27/582864427.db2.gz BATLCHDUONRTFC-SNVBAGLBSA-N 0 0 197.278 2.660 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1CC12CCC2 776101644 582864442 /nfs/dbraw/zinc/86/44/42/582864442.db2.gz RQLPDZZZORPLKO-ZJUUUORDSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H](CC)OC(=O)C[C@@H]1C=CCC1 776101607 582864092 /nfs/dbraw/zinc/86/40/92/582864092.db2.gz QNLDENONWJEXIR-GHMZBOCLSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](CC)OC(=O)c1ccoc1C 776100382 582864258 /nfs/dbraw/zinc/86/42/58/582864258.db2.gz DJAINMZAJPDZEY-SECBINFHSA-N 0 0 194.230 2.709 10 30 AFEERN C=C[C@@H](CC)OC(=O)C[C@@H]1C=CCC1 776101608 582864283 /nfs/dbraw/zinc/86/42/83/582864283.db2.gz QNLDENONWJEXIR-MNOVXSKESA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@@H](CC)OC(=O)C1=C(C)CCC1 776104603 582864284 /nfs/dbraw/zinc/86/42/84/582864284.db2.gz IXIXZQOZMZWWJE-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H]1C[C@@H]1C1CC1 776102323 582864300 /nfs/dbraw/zinc/86/43/00/582864300.db2.gz XKLKUPDBJUISRM-MXWKQRLJSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@@H](CC)OC(=O)C[C@H]1C=CCC1 776101609 582864312 /nfs/dbraw/zinc/86/43/12/582864312.db2.gz QNLDENONWJEXIR-QWRGUYRKSA-N 0 0 194.274 2.851 10 30 AFEERN CCCCC[C@H](CC)C(=O)OCC#N 775928258 582864318 /nfs/dbraw/zinc/86/43/18/582864318.db2.gz BATLCHDUONRTFC-JTQLQIEISA-N 0 0 197.278 2.660 10 30 AFEERN C=C[C@@H](CC)OC(=O)c1occc1C 776108060 582864329 /nfs/dbraw/zinc/86/43/29/582864329.db2.gz LQZZXYPSXLYTRM-VIFPVBQESA-N 0 0 194.230 2.709 10 30 AFEERN C=C[C@H](CC)OC(=O)c1ccc(C)o1 776100216 582864668 /nfs/dbraw/zinc/86/46/68/582864668.db2.gz BJRXMQPCXZACIW-SECBINFHSA-N 0 0 194.230 2.709 10 30 AFEERN C=C[C@@H](CC)OC(=O)c1ccc(C)o1 776100220 582864687 /nfs/dbraw/zinc/86/46/87/582864687.db2.gz BJRXMQPCXZACIW-VIFPVBQESA-N 0 0 194.230 2.709 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H]1CC12CCC2 776101641 582864722 /nfs/dbraw/zinc/86/47/22/582864722.db2.gz RQLPDZZZORPLKO-NXEZZACHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H]1CC12CCC2 776101642 582864728 /nfs/dbraw/zinc/86/47/28/582864728.db2.gz RQLPDZZZORPLKO-UWVGGRQHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@H]1CC12CCC2 776101643 582864738 /nfs/dbraw/zinc/86/47/38/582864738.db2.gz RQLPDZZZORPLKO-VHSXEESVSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H](CC)OC(=O)C[C@H]1C=CCC1 776101610 582864740 /nfs/dbraw/zinc/86/47/40/582864740.db2.gz QNLDENONWJEXIR-WDEREUQCSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(CC)COC(=O)[C@@H]1CC[C@H](C)C1 776411703 582864909 /nfs/dbraw/zinc/86/49/09/582864909.db2.gz GFUPVJZEUYXYGC-WDEREUQCSA-N 0 0 196.290 2.932 10 30 AFEERN C#CCCCCC(=O)O[C@H](C=C)CC 776108742 582864962 /nfs/dbraw/zinc/86/49/62/582864962.db2.gz RHBFATIIHQMYNH-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C=C(CC)COC(=O)[C@H]1CC[C@H](C)C1 776411700 582865106 /nfs/dbraw/zinc/86/51/06/582865106.db2.gz GFUPVJZEUYXYGC-QWRGUYRKSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@H](CC)OC(=O)c1occc1C 776108058 582865126 /nfs/dbraw/zinc/86/51/26/582865126.db2.gz LQZZXYPSXLYTRM-SECBINFHSA-N 0 0 194.230 2.709 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C=C(/C)C1CC1 776108740 582865215 /nfs/dbraw/zinc/86/52/15/582865215.db2.gz RFYJUFCCBGBKPM-IQQGHNRFSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(CC)COC(=O)[C@H]1CC[C@@H](C)C1 776411696 582865241 /nfs/dbraw/zinc/86/52/41/582865241.db2.gz GFUPVJZEUYXYGC-MNOVXSKESA-N 0 0 196.290 2.932 10 30 AFEERN C#CCCCCC(=O)O[C@@H](C=C)CC 776108743 582865283 /nfs/dbraw/zinc/86/52/83/582865283.db2.gz RHBFATIIHQMYNH-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C=C[C@H](CC)OC(=O)/C=C(\C)C1CC1 776108738 582865301 /nfs/dbraw/zinc/86/53/01/582865301.db2.gz RFYJUFCCBGBKPM-ANYFNZRUSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](CC)OC(=O)/C=C(/C)C1CC1 776108741 582865306 /nfs/dbraw/zinc/86/53/06/582865306.db2.gz RFYJUFCCBGBKPM-TYBABMIJSA-N 0 0 194.274 2.851 10 30 AFEERN C=C(CC)COC(=O)[C@@H]1CC[C@@H](C)C1 776411694 582865358 /nfs/dbraw/zinc/86/53/58/582865358.db2.gz GFUPVJZEUYXYGC-GHMZBOCLSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@@H](CC)OC(=O)/C=C(\C)C1CC1 776108739 582865535 /nfs/dbraw/zinc/86/55/35/582865535.db2.gz RFYJUFCCBGBKPM-FBOQAHMBSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H]1CC[C@@H](C)C1 776559092 582865756 /nfs/dbraw/zinc/86/57/56/582865756.db2.gz JEXLWGYRDPJZCL-OUAUKWLOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)CCOC(=O)[C@H]1CC[C@@H](C)C1 776522916 582865946 /nfs/dbraw/zinc/86/59/46/582865946.db2.gz DNWOTZXTGJEFCB-MNOVXSKESA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)CCOC(=O)[C@@H]1CC[C@H](C)C1 776522918 582865985 /nfs/dbraw/zinc/86/59/85/582865985.db2.gz DNWOTZXTGJEFCB-WDEREUQCSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1CC[C@@H](C)C1 776559090 582866003 /nfs/dbraw/zinc/86/60/03/582866003.db2.gz JEXLWGYRDPJZCL-GMTAPVOTSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1CC[C@H](C)C1 776559091 582866030 /nfs/dbraw/zinc/86/60/30/582866030.db2.gz JEXLWGYRDPJZCL-HBNTYKKESA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@H]1CC[C@H](C)C1 776558667 582866100 /nfs/dbraw/zinc/86/61/00/582866100.db2.gz JEXLWGYRDPJZCL-GARJFASQSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)CCOC(=O)[C@H]1CC[C@H](C)C1 776522917 582866147 /nfs/dbraw/zinc/86/61/47/582866147.db2.gz DNWOTZXTGJEFCB-QWRGUYRKSA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)CCOC(=O)[C@@H]1CC[C@@H](C)C1 776522915 582866264 /nfs/dbraw/zinc/86/62/64/582866264.db2.gz DNWOTZXTGJEFCB-GHMZBOCLSA-N 0 0 196.290 2.932 10 30 AFEERN COCCCC=NOC1CCCCC1 777459611 582867536 /nfs/dbraw/zinc/86/75/36/582867536.db2.gz SIDPHWFYQDAVEM-UHFFFAOYSA-N 0 0 199.294 2.748 10 30 AFEERN COC[C@H](C)C=NOC1CCCCC1 777459382 582867602 /nfs/dbraw/zinc/86/76/02/582867602.db2.gz OQQBMKJJZPCALE-SNVBAGLBSA-N 0 0 199.294 2.604 10 30 AFEERN C(=NOC1CCCCC1)c1ccoc1 777457418 582867604 /nfs/dbraw/zinc/86/76/04/582867604.db2.gz UFAJVJGVSUCCIP-UHFFFAOYSA-N 0 0 193.246 2.963 10 30 AFEERN COC[C@@H](C)C=NOC1CCCCC1 777459381 582867694 /nfs/dbraw/zinc/86/76/94/582867694.db2.gz OQQBMKJJZPCALE-JTQLQIEISA-N 0 0 199.294 2.604 10 30 AFEERN C=CCN(C)C(=O)/C(C)=C/C(C)(C)C 777841446 582867979 /nfs/dbraw/zinc/86/79/79/582867979.db2.gz NHQNSPMCWDRZLB-MDZDMXLPSA-N 0 0 195.306 2.623 10 30 AFEERN C=CCN(C)C(=O)CCCCCCC 777839920 582868267 /nfs/dbraw/zinc/86/82/67/582868267.db2.gz HNUODXYKVULHFA-UHFFFAOYSA-N 0 0 197.322 2.991 10 30 AFEERN C=CCN(C)C(=O)/C(C)=C\C(C)(C)C 777841445 582868333 /nfs/dbraw/zinc/86/83/33/582868333.db2.gz NHQNSPMCWDRZLB-KTKRTIGZSA-N 0 0 195.306 2.623 10 30 AFEERN C=C(C)CN(C)C(=O)C=C(CC)CC 778123772 582869190 /nfs/dbraw/zinc/86/91/90/582869190.db2.gz HVZSKWXZOZDZQA-UHFFFAOYSA-N 0 0 195.306 2.767 10 30 AFEERN C=C(C)CN(C)C(=O)/C=C\C(C)(C)C 778123493 582869257 /nfs/dbraw/zinc/86/92/57/582869257.db2.gz UBLCLBJMRGESIA-FPLPWBNLSA-N 0 0 195.306 2.623 10 30 AFEERN C=C(C)CN(C)C(=O)/C=C/C(C)(C)C 778123492 582869276 /nfs/dbraw/zinc/86/92/76/582869276.db2.gz UBLCLBJMRGESIA-BQYQJAHWSA-N 0 0 195.306 2.623 10 30 AFEERN CC(C)CCON=C1CCCOCC1 778600327 582870729 /nfs/dbraw/zinc/87/07/29/582870729.db2.gz CSYHJKHQCYQWIM-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN CCCCCON=C1CCCOCC1 778600355 582871084 /nfs/dbraw/zinc/87/10/84/582871084.db2.gz FPVHIHYEOJHKHP-UHFFFAOYSA-N 0 0 199.294 2.750 10 30 AFEERN C=CCCCON=C1CCCOCC1 778601581 582871218 /nfs/dbraw/zinc/87/12/18/582871218.db2.gz HIYOYDRWVHEJAJ-UHFFFAOYSA-N 0 0 197.278 2.526 10 30 AFEERN C=C(CC)CON=C1CCCOCC1 778601539 582871276 /nfs/dbraw/zinc/87/12/76/582871276.db2.gz FKOKLMIPVFPZRI-UHFFFAOYSA-N 0 0 197.278 2.526 10 30 AFEERN C=C(C)CNC(=O)/C(C)=C\C(C)(C)C 779069674 582871577 /nfs/dbraw/zinc/87/15/77/582871577.db2.gz YQXDYVCYYFCKJP-YFHOEESVSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)CNC(=O)/C(C)=C/C(C)(C)C 779069673 582872286 /nfs/dbraw/zinc/87/22/86/582872286.db2.gz YQXDYVCYYFCKJP-JXMROGBWSA-N 0 0 195.306 2.671 10 30 AFEERN C#CCCCCCOC(=O)CCC=C 779454146 582873290 /nfs/dbraw/zinc/87/32/90/582873290.db2.gz DIDORYYVJCSXTR-UHFFFAOYSA-N 0 0 194.274 2.689 10 30 AFEERN C#CCC(C)(C)COC(=O)CC(C)C 779454257 582873297 /nfs/dbraw/zinc/87/32/97/582873297.db2.gz KEGFBTQZOSUNHD-UHFFFAOYSA-N 0 0 196.290 2.625 10 30 AFEERN C#CCC(C)(C)COC(=O)C=C(C)C 779456479 582873454 /nfs/dbraw/zinc/87/34/54/582873454.db2.gz JWGWKBGGCRLJEE-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN C#CCCCCCOC(=O)C1CCC1 779454447 582873493 /nfs/dbraw/zinc/87/34/93/582873493.db2.gz QBFFZUBXRISZIW-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#CCC(C)(C)COC(=O)CCCC 779457119 582873671 /nfs/dbraw/zinc/87/36/71/582873671.db2.gz YGUKKMFMCPKWSI-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCCCCCOC(=O)[C@@H](C)CC 779454338 582873697 /nfs/dbraw/zinc/87/36/97/582873697.db2.gz NLCBCJSVHBDLQK-NSHDSACASA-N 0 0 196.290 2.769 10 30 AFEERN C#CCC(C)(C)COC(=O)[C@H](C)CC 779454309 582873700 /nfs/dbraw/zinc/87/37/00/582873700.db2.gz MHIUXDMCRQVOSZ-SNVBAGLBSA-N 0 0 196.290 2.625 10 30 AFEERN C#CCCCCCOC(=O)[C@H](C)CC 779454337 582873718 /nfs/dbraw/zinc/87/37/18/582873718.db2.gz NLCBCJSVHBDLQK-LLVKDONJSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCC(C)(C)COC(=O)CCC=C 779454290 582873801 /nfs/dbraw/zinc/87/38/01/582873801.db2.gz LLPQSIZRMWQIKF-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN C#CCC(C)(C)COC(=O)[C@@H](C)CC 779454308 582873880 /nfs/dbraw/zinc/87/38/80/582873880.db2.gz MHIUXDMCRQVOSZ-JTQLQIEISA-N 0 0 196.290 2.625 10 30 AFEERN C#CCCCCCOC(=O)CC(C)C 779454557 582873930 /nfs/dbraw/zinc/87/39/30/582873930.db2.gz SPVYJPNADNAUKV-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCCCCCOC(=O)CCCC 779454562 582873950 /nfs/dbraw/zinc/87/39/50/582873950.db2.gz TWURORHGRMDWHA-UHFFFAOYSA-N 0 0 196.290 2.913 10 30 AFEERN C#CCCCCCC(=O)OC/C=C/C 780254862 582876352 /nfs/dbraw/zinc/87/63/52/582876352.db2.gz GYOCJAHGHPPIRU-GQCTYLIASA-N 0 0 194.274 2.689 10 30 AFEERN C#CCCCCCC(=O)O[C@@H](C)CC 780256314 582876453 /nfs/dbraw/zinc/87/64/53/582876453.db2.gz DWCJPHUGPZSQTN-NSHDSACASA-N 0 0 196.290 2.912 10 30 AFEERN C#CCCCCCC(=O)OC/C=C\C 780254863 582876471 /nfs/dbraw/zinc/87/64/71/582876471.db2.gz GYOCJAHGHPPIRU-XQRVVYSFSA-N 0 0 194.274 2.689 10 30 AFEERN CC[C@@H](C)[C@@H](C)C(=O)OCCCC#N 780240074 582876678 /nfs/dbraw/zinc/87/66/78/582876678.db2.gz DUSSVMXJFMVGDF-NXEZZACHSA-N 0 0 197.278 2.516 10 30 AFEERN CC[C@@H](C)[C@H](C)C(=O)OCCCC#N 780240077 582876695 /nfs/dbraw/zinc/87/66/95/582876695.db2.gz DUSSVMXJFMVGDF-ZJUUUORDSA-N 0 0 197.278 2.516 10 30 AFEERN COCCC1(C=NOC)CCCCC1 780208700 582876705 /nfs/dbraw/zinc/87/67/05/582876705.db2.gz BOGVHUYSHAYAIX-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN CC[C@H](C)[C@@H](C)C(=O)OCCCC#N 780240076 582876796 /nfs/dbraw/zinc/87/67/96/582876796.db2.gz DUSSVMXJFMVGDF-VHSXEESVSA-N 0 0 197.278 2.516 10 30 AFEERN C#CCCCCCC(=O)O[C@H](C)CC 780256313 582876894 /nfs/dbraw/zinc/87/68/94/582876894.db2.gz DWCJPHUGPZSQTN-LLVKDONJSA-N 0 0 196.290 2.912 10 30 AFEERN C#CCCCCCC(=O)OCC(=C)C 780256150 582876913 /nfs/dbraw/zinc/87/69/13/582876913.db2.gz DEJARMZSKVHHEW-UHFFFAOYSA-N 0 0 194.274 2.689 10 30 AFEERN C#CCCCCCC(=O)OCC(C)C 780256024 582876920 /nfs/dbraw/zinc/87/69/20/582876920.db2.gz AFXBVUZSIODDFA-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN CC[C@H](C)[C@H](C)C(=O)OCCCC#N 780240075 582877003 /nfs/dbraw/zinc/87/70/03/582877003.db2.gz DUSSVMXJFMVGDF-UWVGGRQHSA-N 0 0 197.278 2.516 10 30 AFEERN CC[C@@H](C)[C@H](C)C(=O)OC(C)(C)C#N 780434418 582877256 /nfs/dbraw/zinc/87/72/56/582877256.db2.gz NFHNMFJVGXZFQW-BDAKNGLRSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@H](C)[C@H](C)C(=O)O[C@H](C)CC#N 780375405 582877443 /nfs/dbraw/zinc/87/74/43/582877443.db2.gz ULVPHDUVZCJRNI-AEJSXWLSSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](C)[C@@H](C)C(=O)OC(C)(C)C#N 780434421 582877468 /nfs/dbraw/zinc/87/74/68/582877468.db2.gz NFHNMFJVGXZFQW-RKDXNWHRSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@H](C)[C@@H](C)C(=O)O[C@H](C)CC#N 780375407 582877521 /nfs/dbraw/zinc/87/75/21/582877521.db2.gz ULVPHDUVZCJRNI-IVZWLZJFSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@H](C)[C@@H](C)C(=O)OC(C)(C)C#N 780434419 582877535 /nfs/dbraw/zinc/87/75/35/582877535.db2.gz NFHNMFJVGXZFQW-DTWKUNHWSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@H](C)[C@H](C)C(=O)O[C@@H](C)CC#N 780375406 582877590 /nfs/dbraw/zinc/87/75/90/582877590.db2.gz ULVPHDUVZCJRNI-GUBZILKMSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@H](C)[C@H](C)C(=O)OC(C)(C)C#N 780434420 582877759 /nfs/dbraw/zinc/87/77/59/582877759.db2.gz NFHNMFJVGXZFQW-IUCAKERBSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)CC#N 780375411 582877871 /nfs/dbraw/zinc/87/78/71/582877871.db2.gz ULVPHDUVZCJRNI-LPEHRKFASA-N 0 0 197.278 2.514 10 30 AFEERN C#CCCCCCC(=O)OC1CCC1 780399223 582877905 /nfs/dbraw/zinc/87/79/05/582877905.db2.gz YMXRAWFRUFTIJL-UHFFFAOYSA-N 0 0 194.274 2.666 10 30 AFEERN C#C[C@H](C)OC(=O)C1(C)CCCCC1 781489868 582880868 /nfs/dbraw/zinc/88/08/68/582880868.db2.gz WDPTWISOOZRZOS-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CC[C@H](OC(=O)C(C)C)C(C)(C)C 781558545 582880495 /nfs/dbraw/zinc/88/04/95/582880495.db2.gz IVJXCGAOOFTKKV-JTQLQIEISA-N 0 0 196.290 2.624 10 30 AFEERN CC#CCOC(=O)C1(C)CCCCC1 781267365 582879563 /nfs/dbraw/zinc/87/95/63/582879563.db2.gz GHXTUHKIPALYBH-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN CCC[C@@H](C)C(=O)OCC(C)(C)C#N 781469764 582879652 /nfs/dbraw/zinc/87/96/52/582879652.db2.gz DEZYJNPMWQBRIT-SECBINFHSA-N 0 0 197.278 2.516 10 30 AFEERN CC/C(C)=C(/C)C(=O)O[C@@H](C#N)CC 781205689 582879679 /nfs/dbraw/zinc/87/96/79/582879679.db2.gz HAYILJYWRXLYCQ-HSTULFTRSA-N 0 0 195.262 2.578 10 30 AFEERN CC/C(C)=C(/C)C(=O)O[C@H](C#N)CC 781205691 582879768 /nfs/dbraw/zinc/87/97/68/582879768.db2.gz HAYILJYWRXLYCQ-QROTZFDESA-N 0 0 195.262 2.578 10 30 AFEERN CC(C)(C)CC(=O)OCC(C)(C)C#N 781470490 582879797 /nfs/dbraw/zinc/87/97/97/582879797.db2.gz MEVWUKBZQHFKAF-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN CCCCCC(=O)OCC(C)(C)C#N 781467595 582879848 /nfs/dbraw/zinc/87/98/48/582879848.db2.gz DNAZCVPXXOHWQV-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN C#CCOC(=O)C1(C)CCCCCC1 781298933 582880070 /nfs/dbraw/zinc/88/00/70/582880070.db2.gz DKFZCJHJKFBEIA-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN CC/C(C)=C(\C)C(=O)O[C@@H](C#N)CC 781205661 582880081 /nfs/dbraw/zinc/88/00/81/582880081.db2.gz HAYILJYWRXLYCQ-AAXQSMANSA-N 0 0 195.262 2.578 10 30 AFEERN CCC(C)(C)C(=O)OCC(C)(C)C#N 781467823 582880094 /nfs/dbraw/zinc/88/00/94/582880094.db2.gz UWIIQNIUBAIBNU-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN CC/C(C)=C(\C)C(=O)O[C@H](C#N)CC 781205687 582880097 /nfs/dbraw/zinc/88/00/97/582880097.db2.gz HAYILJYWRXLYCQ-DDXVTDLHSA-N 0 0 195.262 2.578 10 30 AFEERN CCC[C@H](C)C(=O)OCC(C)(C)C#N 781469766 582880208 /nfs/dbraw/zinc/88/02/08/582880208.db2.gz DEZYJNPMWQBRIT-VIFPVBQESA-N 0 0 197.278 2.516 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1C[C@]1(C)C(C)C 781570344 582880476 /nfs/dbraw/zinc/88/04/76/582880476.db2.gz FPKKEYQOEZQLIW-HOSYDEDBSA-N 0 0 196.290 2.786 10 30 AFEERN C=C(C)[C@H](C)OC(=O)c1coc(C)c1 781548391 582880482 /nfs/dbraw/zinc/88/04/82/582880482.db2.gz FZLANPAIOJJOTE-VIFPVBQESA-N 0 0 194.230 2.709 10 30 AFEERN C#CCCCCCC(=O)O[C@H](C)C=C 781570590 582880484 /nfs/dbraw/zinc/88/04/84/582880484.db2.gz OBLMRPJKRPPVPM-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C=C[C@H](C)OC(=O)c1ccccc1F 781574515 582880491 /nfs/dbraw/zinc/88/04/91/582880491.db2.gz ZJMDNICKUJNGAI-QMMMGPOBSA-N 0 0 194.205 2.557 10 30 AFEERN CC(C)CCC(=O)OCC(C)(C)C#N 781476538 582880512 /nfs/dbraw/zinc/88/05/12/582880512.db2.gz DNXDQQBCWVVHST-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN C=C[C@H](C)OC(=O)c1ccc(F)cc1 781574716 582880527 /nfs/dbraw/zinc/88/05/27/582880527.db2.gz APQOVVRLTNXBEJ-QMMMGPOBSA-N 0 0 194.205 2.557 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@@]1(C)C(C)C 781570346 582880533 /nfs/dbraw/zinc/88/05/33/582880533.db2.gz FPKKEYQOEZQLIW-NHCYSSNCSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H]1C=CCCC1 781575940 582880535 /nfs/dbraw/zinc/88/05/35/582880535.db2.gz DVYUIYKOQVAFAA-QWRGUYRKSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@@H](C)OC(=O)c1ccc(C)cc1 781579517 582880540 /nfs/dbraw/zinc/88/05/40/582880540.db2.gz YFGIZQSVYAFZGK-SNVBAGLBSA-N 0 0 190.242 2.726 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1[C@H]2CCCC[C@H]21 781568525 582880547 /nfs/dbraw/zinc/88/05/47/582880547.db2.gz LOSMJYLKIRYCLI-UKKRHICBSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)c1oc(C)cc1C 781568618 582880550 /nfs/dbraw/zinc/88/05/50/582880550.db2.gz NTJCZCOLYGUSSW-MRVPVSSYSA-N 0 0 194.230 2.628 10 30 AFEERN C=C(C)CCOC(=O)c1coc(C)c1 781496922 582880561 /nfs/dbraw/zinc/88/05/61/582880561.db2.gz QKVANSGPMLQTQV-UHFFFAOYSA-N 0 0 194.230 2.711 10 30 AFEERN C#CC[C@@H](OC(=O)C(C)C)C(C)(C)C 781558546 582880569 /nfs/dbraw/zinc/88/05/69/582880569.db2.gz IVJXCGAOOFTKKV-SNVBAGLBSA-N 0 0 196.290 2.624 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H]1CCC[C@@H]1C 781578799 582880590 /nfs/dbraw/zinc/88/05/90/582880590.db2.gz UEWDDDMQCJXSHZ-DCAQKATOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)c1coc(C)c1 781548389 582880630 /nfs/dbraw/zinc/88/06/30/582880630.db2.gz FZLANPAIOJJOTE-SECBINFHSA-N 0 0 194.230 2.709 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H]1CCC[C@@H]1C 781578800 582880633 /nfs/dbraw/zinc/88/06/33/582880633.db2.gz UEWDDDMQCJXSHZ-GARJFASQSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)C12CCC(CC1)C2 781576737 582880679 /nfs/dbraw/zinc/88/06/79/582880679.db2.gz MJCBZYVBPYJBEJ-BMQDGWLCSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H]1C=CCCC1 781575941 582880685 /nfs/dbraw/zinc/88/06/85/582880685.db2.gz DVYUIYKOQVAFAA-WDEREUQCSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H]1[C@H]2CCCC[C@H]21 781568526 582880703 /nfs/dbraw/zinc/88/07/03/582880703.db2.gz LOSMJYLKIRYCLI-ZNSHCXBVSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@H]1C=CCCC1 781575939 582880708 /nfs/dbraw/zinc/88/07/08/582880708.db2.gz DVYUIYKOQVAFAA-MNOVXSKESA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1C[C@@]1(C)C(C)C 781570347 582880738 /nfs/dbraw/zinc/88/07/38/582880738.db2.gz FPKKEYQOEZQLIW-UMNHJUIQSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@@H](C)OC(=O)c1cccc(F)c1 781574324 582880740 /nfs/dbraw/zinc/88/07/40/582880740.db2.gz RRWKCDDDHLPVGX-MRVPVSSYSA-N 0 0 194.205 2.557 10 30 AFEERN C=C[C@@H](CC)OC(=O)c1coc(C)c1 781538676 582880741 /nfs/dbraw/zinc/88/07/41/582880741.db2.gz WXIMOOSVPVGMDD-JTQLQIEISA-N 0 0 194.230 2.709 10 30 AFEERN C=C[C@H](C)OC(=O)C(C1CC1)C1CC1 781579352 582880745 /nfs/dbraw/zinc/88/07/45/582880745.db2.gz RTYOOLIWCLKNSU-QMMMGPOBSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)c1ccc(F)cc1 781574715 582880762 /nfs/dbraw/zinc/88/07/62/582880762.db2.gz APQOVVRLTNXBEJ-MRVPVSSYSA-N 0 0 194.205 2.557 10 30 AFEERN C=C[C@H](CC)OC(=O)c1coc(C)c1 781538678 582880803 /nfs/dbraw/zinc/88/08/03/582880803.db2.gz WXIMOOSVPVGMDD-SNVBAGLBSA-N 0 0 194.230 2.709 10 30 AFEERN C#C[C@@H](C)OC(=O)C1(C)CCCCC1 781489869 582880809 /nfs/dbraw/zinc/88/08/09/582880809.db2.gz WDPTWISOOZRZOS-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C=C[C@H](C)OC(=O)c1ccc(C)cc1 781579516 582880852 /nfs/dbraw/zinc/88/08/52/582880852.db2.gz YFGIZQSVYAFZGK-JTQLQIEISA-N 0 0 190.242 2.726 10 30 AFEERN C=C[C@@H](C)OC(=O)C(C1CC1)C1CC1 781579351 582880856 /nfs/dbraw/zinc/88/08/56/582880856.db2.gz RTYOOLIWCLKNSU-MRVPVSSYSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)C[C@@H]1C=CCCC1 781575924 582880862 /nfs/dbraw/zinc/88/08/62/582880862.db2.gz DVYUIYKOQVAFAA-GHMZBOCLSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H]1CCC[C@H]1C 781578802 582880874 /nfs/dbraw/zinc/88/08/74/582880874.db2.gz UEWDDDMQCJXSHZ-VWYCJHECSA-N 0 0 196.290 2.930 10 30 AFEERN CCC(CC)C(=O)OCC(C)(C)C#N 781477520 582880894 /nfs/dbraw/zinc/88/08/94/582880894.db2.gz VATVOWTVRYBSGR-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN C=C[C@H](C)OC(=O)c1cccc(F)c1 781574328 582880904 /nfs/dbraw/zinc/88/09/04/582880904.db2.gz RRWKCDDDHLPVGX-QMMMGPOBSA-N 0 0 194.205 2.557 10 30 AFEERN C=CCC(CC=C)C(=O)O[C@@H](C)C=C 781578038 582880906 /nfs/dbraw/zinc/88/09/06/582880906.db2.gz DNHSGPKJDKYKBC-JTQLQIEISA-N 0 0 194.274 2.873 10 30 AFEERN C=C[C@@H](C)OC(=O)C12CCC(CC1)C2 781576738 582880908 /nfs/dbraw/zinc/88/09/08/582880908.db2.gz MJCBZYVBPYJBEJ-GRZMOONWSA-N 0 0 194.274 2.684 10 30 AFEERN C#CCCCCCC(=O)O[C@@H](C)C=C 781570591 582880910 /nfs/dbraw/zinc/88/09/10/582880910.db2.gz OBLMRPJKRPPVPM-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C=C[C@@H](C)OC(=O)c1ccccc1F 781574514 582880933 /nfs/dbraw/zinc/88/09/33/582880933.db2.gz ZJMDNICKUJNGAI-MRVPVSSYSA-N 0 0 194.205 2.557 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H]1CCC[C@H]1C 781578801 582880970 /nfs/dbraw/zinc/88/09/70/582880970.db2.gz UEWDDDMQCJXSHZ-OUAUKWLOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1C[C@]1(C)C(C)C 781570345 582880972 /nfs/dbraw/zinc/88/09/72/582880972.db2.gz FPKKEYQOEZQLIW-JBLDHEPKSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@H](C)OC(=O)c1oc(C)cc1C 781568620 582880973 /nfs/dbraw/zinc/88/09/73/582880973.db2.gz NTJCZCOLYGUSSW-QMMMGPOBSA-N 0 0 194.230 2.628 10 30 AFEERN C=CCC(CC=C)C(=O)O[C@H](C)C=C 781578039 582880978 /nfs/dbraw/zinc/88/09/78/582880978.db2.gz DNHSGPKJDKYKBC-SNVBAGLBSA-N 0 0 194.274 2.873 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCC[C@H](C)C1 781580062 582881109 /nfs/dbraw/zinc/88/11/09/582881109.db2.gz CKEWLBJOJNZTJB-GARJFASQSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)/C=C1/CC[C@@H](C)C1 781579312 582881112 /nfs/dbraw/zinc/88/11/12/582881112.db2.gz PYEJTXFBTHURKZ-ITYVAHBBSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CCC[C@@H](C)C1 781580064 582881126 /nfs/dbraw/zinc/88/11/26/582881126.db2.gz CKEWLBJOJNZTJB-VWYCJHECSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H]1CC[C@H](C)C1 781581024 582881168 /nfs/dbraw/zinc/88/11/68/582881168.db2.gz OAKMJYCQJRPXGW-DCAQKATOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@H]1CC[C@@H](C)C1 781581029 582881190 /nfs/dbraw/zinc/88/11/90/582881190.db2.gz OAKMJYCQJRPXGW-VWYCJHECSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H]1CCC(C)(C)C1 781581232 582881193 /nfs/dbraw/zinc/88/11/93/582881193.db2.gz SVZKMXDZFKCJGC-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)C1C(C)(C)C1(C)C 781580440 582881206 /nfs/dbraw/zinc/88/12/06/582881206.db2.gz MHDDWPUCIQBLMO-MRVPVSSYSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H]1CC12CCCC2 781578439 582881216 /nfs/dbraw/zinc/88/12/16/582881216.db2.gz MMBRNYVFJFODKE-ZJUUUORDSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H](C)C1CCCC1 781581365 582881233 /nfs/dbraw/zinc/88/12/33/582881233.db2.gz WQOZHEQAALIBHW-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H](C)C1CCCC1 781581362 582881241 /nfs/dbraw/zinc/88/12/41/582881241.db2.gz WQOZHEQAALIBHW-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)c1cc(C)oc1C 781579142 582881252 /nfs/dbraw/zinc/88/12/52/582881252.db2.gz YACWGQAYPRSOAS-SSDOTTSWSA-N 0 0 194.230 2.628 10 30 AFEERN C=C[C@@H](C)OC(=O)C1=CCCCCC1 781578826 582881271 /nfs/dbraw/zinc/88/12/71/582881271.db2.gz UQJBZFVMXDHAPH-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H](C)c1ccco1 781581438 582881285 /nfs/dbraw/zinc/88/12/85/582881285.db2.gz ZOEKMITYGQXMSM-BDAKNGLRSA-N 0 0 194.230 2.501 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H]1CC12CCCC2 781578433 582881288 /nfs/dbraw/zinc/88/12/88/582881288.db2.gz MMBRNYVFJFODKE-NXEZZACHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H]1CCC(C)(C)C1 781581235 582881295 /nfs/dbraw/zinc/88/12/95/582881295.db2.gz SVZKMXDZFKCJGC-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CC12CCCC2 781578435 582881301 /nfs/dbraw/zinc/88/13/01/582881301.db2.gz MMBRNYVFJFODKE-UWVGGRQHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CCC(C)(C)C1 781581233 582881307 /nfs/dbraw/zinc/88/13/07/582881307.db2.gz SVZKMXDZFKCJGC-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)CC1=CCCCC1 781580233 582881311 /nfs/dbraw/zinc/88/13/11/582881311.db2.gz HEWDLFXNVHTYBJ-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H](C)C1CCCC1 781581364 582881314 /nfs/dbraw/zinc/88/13/14/582881314.db2.gz WQOZHEQAALIBHW-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CC12CCCC2 781578437 582881319 /nfs/dbraw/zinc/88/13/19/582881319.db2.gz MMBRNYVFJFODKE-VHSXEESVSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)C1=CCCCCC1 781578825 582881371 /nfs/dbraw/zinc/88/13/71/582881371.db2.gz UQJBZFVMXDHAPH-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@H](C)OC(=O)c1cc(C)oc1C 781579144 582881374 /nfs/dbraw/zinc/88/13/74/582881374.db2.gz YACWGQAYPRSOAS-ZETCQYMHSA-N 0 0 194.230 2.628 10 30 AFEERN C=C[C@@H](C)OC(=O)C(C)=C1CCCC1 781578850 582881385 /nfs/dbraw/zinc/88/13/85/582881385.db2.gz JLIWMWRQBPZDBU-SECBINFHSA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H](C)c1ccco1 781581441 582881390 /nfs/dbraw/zinc/88/13/90/582881390.db2.gz ZOEKMITYGQXMSM-RKDXNWHRSA-N 0 0 194.230 2.501 10 30 AFEERN C=C[C@H](C)OC(=O)/C=C1\CC[C@@H](C)C1 781579313 582881424 /nfs/dbraw/zinc/88/14/24/582881424.db2.gz PYEJTXFBTHURKZ-PCYIOHOOSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H]1CC[C@H](C)C1 781581026 582881438 /nfs/dbraw/zinc/88/14/38/582881438.db2.gz OAKMJYCQJRPXGW-GARJFASQSA-N 0 0 196.290 2.930 10 30 AFEERN CON=C1CC(c2cccc(F)c2)C1 781589154 582881441 /nfs/dbraw/zinc/88/14/41/582881441.db2.gz CVLJMLMNNITEPP-UHFFFAOYSA-N 0 0 193.221 2.706 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCC(C)(C)C1 781581234 582881447 /nfs/dbraw/zinc/88/14/47/582881447.db2.gz SVZKMXDZFKCJGC-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)C1C(C)(C)C1(C)C 781580442 582881455 /nfs/dbraw/zinc/88/14/55/582881455.db2.gz MHDDWPUCIQBLMO-QMMMGPOBSA-N 0 0 196.290 2.786 10 30 AFEERN C=C[C@@H](C)OC(=O)CC1=CCCCC1 781580234 582881463 /nfs/dbraw/zinc/88/14/63/582881463.db2.gz HEWDLFXNVHTYBJ-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C)C1 781580063 582881484 /nfs/dbraw/zinc/88/14/84/582881484.db2.gz CKEWLBJOJNZTJB-OUAUKWLOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CCC[C@H](C)C1 781580061 582881498 /nfs/dbraw/zinc/88/14/98/582881498.db2.gz CKEWLBJOJNZTJB-DCAQKATOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)/C=C1\CC[C@H](C)C1 781579311 582881529 /nfs/dbraw/zinc/88/15/29/582881529.db2.gz PYEJTXFBTHURKZ-CWIHFQEBSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H](C)c1ccco1 781581440 582881530 /nfs/dbraw/zinc/88/15/30/582881530.db2.gz ZOEKMITYGQXMSM-IUCAKERBSA-N 0 0 194.230 2.501 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H](C)c1ccco1 781581439 582881539 /nfs/dbraw/zinc/88/15/39/582881539.db2.gz ZOEKMITYGQXMSM-DTWKUNHWSA-N 0 0 194.230 2.501 10 30 AFEERN C=C[C@H](C)OC(=O)C[C@@H]1CC[C@@H](C)C1 781581027 582881551 /nfs/dbraw/zinc/88/15/51/582881551.db2.gz OAKMJYCQJRPXGW-OUAUKWLOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H](C)C1CCCC1 781581363 582881558 /nfs/dbraw/zinc/88/15/58/582881558.db2.gz WQOZHEQAALIBHW-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)/C=C1/CC[C@H](C)C1 781579314 582881569 /nfs/dbraw/zinc/88/15/69/582881569.db2.gz PYEJTXFBTHURKZ-YNMOXFEVSA-N 0 0 194.274 2.851 10 30 AFEERN C=C[C@H](C)OC(=O)C(C)=C1CCCC1 781578851 582881572 /nfs/dbraw/zinc/88/15/72/582881572.db2.gz JLIWMWRQBPZDBU-VIFPVBQESA-N 0 0 194.274 2.995 10 30 AFEERN C=C(C)COC(=O)CCCCCC#N 805695708 582881724 /nfs/dbraw/zinc/88/17/24/582881724.db2.gz FKSYEYVWBIOHEQ-UHFFFAOYSA-N 0 0 195.262 2.580 10 30 AFEERN C=CCCOC(=O)[C@H]1CCC(C)(C)C1 781696381 582881784 /nfs/dbraw/zinc/88/17/84/582881784.db2.gz HFSHIURZYKTPFX-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN CC[C@@H](C)OC(=O)CCCCCC#N 805696345 582881807 /nfs/dbraw/zinc/88/18/07/582881807.db2.gz AWXNXYHIXKMWKW-SNVBAGLBSA-N 0 0 197.278 2.802 10 30 AFEERN C=CCCOC(=O)[C@@H]1CCC(C)(C)C1 781696382 582881851 /nfs/dbraw/zinc/88/18/51/582881851.db2.gz HFSHIURZYKTPFX-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN CC[C@H](C)OC(=O)CCCCCC#N 805696344 582881999 /nfs/dbraw/zinc/88/19/99/582881999.db2.gz AWXNXYHIXKMWKW-JTQLQIEISA-N 0 0 197.278 2.802 10 30 AFEERN C=C(C)CCOC(=O)C(C)(C)C1CC1 805700768 582882032 /nfs/dbraw/zinc/88/20/32/582882032.db2.gz GTQPYAIVHCXWRX-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCCOC(=O)CCCCCC#N 805696338 582882036 /nfs/dbraw/zinc/88/20/36/582882036.db2.gz ANYHYJSFHLPPND-UHFFFAOYSA-N 0 0 195.262 2.580 10 30 AFEERN Cc1ccnc(N=NCC2(C)CC2)c1 782242341 582883827 /nfs/dbraw/zinc/88/38/27/582883827.db2.gz GRAJVGTYEMHFDX-UHFFFAOYSA-N 0 0 189.262 2.588 10 30 AFEERN Cc1ccc(N=NCC2(C)CC2)nc1 782222281 582883858 /nfs/dbraw/zinc/88/38/58/582883858.db2.gz UVAZOBYBRPENIL-UHFFFAOYSA-N 0 0 189.262 2.588 10 30 AFEERN C=CCCCOC(=O)C1=CCCCC1 782444900 582884646 /nfs/dbraw/zinc/88/46/46/582884646.db2.gz DYSODXSDHUCTJA-UHFFFAOYSA-N 0 0 194.274 2.996 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1=CCCCC1 783134603 582886030 /nfs/dbraw/zinc/88/60/30/582886030.db2.gz VVGPLFHYZDVMRW-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@@H](CC)OC(=O)C1=CCCCC1 783127365 582886438 /nfs/dbraw/zinc/88/64/38/582886438.db2.gz WILWESRBGLMNGU-NSHDSACASA-N 0 0 194.274 2.995 10 30 AFEERN CC(C)(C)CCNN=Cc1ccoc1 782903009 582886547 /nfs/dbraw/zinc/88/65/47/582886547.db2.gz MXTRYAKZJVWNAB-UHFFFAOYSA-N 0 0 194.278 2.639 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1=CCCCC1 783134604 582886816 /nfs/dbraw/zinc/88/68/16/582886816.db2.gz VVGPLFHYZDVMRW-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=C[C@H](CC)OC(=O)C1=CCCCC1 783127364 582886876 /nfs/dbraw/zinc/88/68/76/582886876.db2.gz WILWESRBGLMNGU-LLVKDONJSA-N 0 0 194.274 2.995 10 30 AFEERN Cc1ccc(C=NOCCC2CC2)o1 783554690 582888118 /nfs/dbraw/zinc/88/81/18/582888118.db2.gz GGNFQUUNWBPEEJ-UHFFFAOYSA-N 0 0 193.246 2.739 10 30 AFEERN CCON=C[C@H](C)Cc1ccccc1 783820351 582888920 /nfs/dbraw/zinc/88/89/20/582888920.db2.gz DRUFCTZOORXDII-LLVKDONJSA-N 0 0 191.274 2.888 10 30 AFEERN CCON=C[C@@H](C)Cc1ccccc1 783820352 582888929 /nfs/dbraw/zinc/88/89/29/582888929.db2.gz DRUFCTZOORXDII-NSHDSACASA-N 0 0 191.274 2.888 10 30 AFEERN C#C[C@@H](CC)OC(=O)C(C)(C)C(C)C 784549048 582890595 /nfs/dbraw/zinc/89/05/95/582890595.db2.gz UFQLYYRIGGDWSU-JTQLQIEISA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](CC)OC(=O)C(C)(C)C(C)C 784549050 582890648 /nfs/dbraw/zinc/89/06/48/582890648.db2.gz UFQLYYRIGGDWSU-SNVBAGLBSA-N 0 0 196.290 2.624 10 30 AFEERN C=C[C@H](C)ON=C(C)CC(F)(F)F 844626600 583148103 /nfs/dbraw/zinc/14/81/03/583148103.db2.gz XXNVLYVEMYKIEF-ZETCQYMHSA-N 0 0 195.184 2.906 10 30 AFEERN C#CCCOC(=O)CC(C)(C)CCC 786337829 582896251 /nfs/dbraw/zinc/89/62/51/582896251.db2.gz PZHJQCLRUDOMRY-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C#CCCCOC(=O)[C@@](C)(C=C)CC 785752846 582893826 /nfs/dbraw/zinc/89/38/26/582893826.db2.gz HIRVUFOUOFMUTL-LBPRGKRZSA-N 0 0 194.274 2.545 10 30 AFEERN C=C[C@@H]1CCCCN1C(=O)C=C(C)C 785852614 582893898 /nfs/dbraw/zinc/89/38/98/582893898.db2.gz ICVMAOLTQUFMDE-LLVKDONJSA-N 0 0 193.290 2.520 10 30 AFEERN C=C[C@H]1CCCCN1C(=O)C=C(C)C 785852618 582894269 /nfs/dbraw/zinc/89/42/69/582894269.db2.gz ICVMAOLTQUFMDE-NSHDSACASA-N 0 0 193.290 2.520 10 30 AFEERN C#CCCCOC(=O)[C@](C)(C=C)CC 785752845 582894308 /nfs/dbraw/zinc/89/43/08/582894308.db2.gz HIRVUFOUOFMUTL-GFCCVEGCSA-N 0 0 194.274 2.545 10 30 AFEERN C(=NNC1CCCCC1)c1ccoc1 786043615 582895214 /nfs/dbraw/zinc/89/52/14/582895214.db2.gz OZUIPTAKXHUKTC-UHFFFAOYSA-N 0 0 192.262 2.536 10 30 AFEERN C=CCCN(C)C(=O)/C=C\C(C)(C)C 786223474 582896086 /nfs/dbraw/zinc/89/60/86/582896086.db2.gz NRHREENVGSZOAC-HJWRWDBZSA-N 0 0 195.306 2.623 10 30 AFEERN C=CCCN(C)C(=O)/C=C/C(C)(C)C 786223473 582896175 /nfs/dbraw/zinc/89/61/75/582896175.db2.gz NRHREENVGSZOAC-CMDGGOBGSA-N 0 0 195.306 2.623 10 30 AFEERN C#C[C@@H](C)OC(=O)CC(C)(C)CCC 786422913 582896296 /nfs/dbraw/zinc/89/62/96/582896296.db2.gz QAUPNTPXZNYVIU-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN C#CCCN1CCC=Cc2ccccc21 786442594 582896348 /nfs/dbraw/zinc/89/63/48/582896348.db2.gz FJHDOQGYNUHLBC-UHFFFAOYSA-N 0 0 197.281 2.933 10 30 AFEERN C#C[C@H](C)OC(=O)CC(C)(C)CCC 786422912 582896467 /nfs/dbraw/zinc/89/64/67/582896467.db2.gz QAUPNTPXZNYVIU-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN C=CCCN(C)C(=O)C=C1CCCC1 786222998 582896481 /nfs/dbraw/zinc/89/64/81/582896481.db2.gz IEQHROXPMDAKEQ-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=CCCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1C 786378326 582896487 /nfs/dbraw/zinc/89/64/87/582896487.db2.gz HBFNZHLQRVPABR-GMTAPVOTSA-N 0 0 196.290 2.930 10 30 AFEERN CC(C)(C)COC(=O)CC(C)(C)C#N 786384234 582896518 /nfs/dbraw/zinc/89/65/18/582896518.db2.gz OTVOVVABMRTRDQ-UHFFFAOYSA-N 0 0 197.278 2.516 10 30 AFEERN CC(C)[C@@H](C)OC(=O)CC(C)(C)C#N 786465229 582896743 /nfs/dbraw/zinc/89/67/43/582896743.db2.gz GTWLGZATFMEMIY-SECBINFHSA-N 0 0 197.278 2.514 10 30 AFEERN C=C[C@@](C)(CC)C(=O)O[C@H](C)C1CC1 786635673 582896755 /nfs/dbraw/zinc/89/67/55/582896755.db2.gz AXNNRVCQQIJXQH-SKDRFNHKSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@](C)(CC)COC(=O)[C@@H]1C[C@H]1C 786518870 582896765 /nfs/dbraw/zinc/89/67/65/582896765.db2.gz JAKAIWPHWSBJML-FOGDFJRCSA-N 0 0 196.290 2.788 10 30 AFEERN C=C[C@](C)(CC)COC(=O)C1(C)CC1 786530607 582896779 /nfs/dbraw/zinc/89/67/79/582896779.db2.gz QWKBUSWRKISTDF-LLVKDONJSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@@](C)(CC)COC(=O)C1(C)CC1 786530609 582896794 /nfs/dbraw/zinc/89/67/94/582896794.db2.gz QWKBUSWRKISTDF-NSHDSACASA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@@](C)(CC)COC(=O)C1CCC1 786519650 582896806 /nfs/dbraw/zinc/89/68/06/582896806.db2.gz LWTSDEMLSQCKDC-LBPRGKRZSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@@](C)(CC)C(=O)O[C@@H](C)C1CC1 786635670 582896819 /nfs/dbraw/zinc/89/68/19/582896819.db2.gz AXNNRVCQQIJXQH-CABZTGNLSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@](C)(CC)COC(=O)C1CCC1 786519649 582896934 /nfs/dbraw/zinc/89/69/34/582896934.db2.gz LWTSDEMLSQCKDC-GFCCVEGCSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@](C)(CC)COC(=O)[C@H]1C[C@H]1C 786523713 582896948 /nfs/dbraw/zinc/89/69/48/582896948.db2.gz JAKAIWPHWSBJML-JFGNBEQYSA-N 0 0 196.290 2.788 10 30 AFEERN CC(C)[C@H](C)OC(=O)CC(C)(C)C#N 786465231 582896979 /nfs/dbraw/zinc/89/69/79/582896979.db2.gz GTWLGZATFMEMIY-VIFPVBQESA-N 0 0 197.278 2.514 10 30 AFEERN C=C[C@@](C)(CC)COC(=O)[C@H]1C[C@@H]1C 786528637 582897072 /nfs/dbraw/zinc/89/70/72/582897072.db2.gz JAKAIWPHWSBJML-NHCYSSNCSA-N 0 0 196.290 2.788 10 30 AFEERN CC#CCOC(=O)CC(C)(C)CCC 786476582 582897080 /nfs/dbraw/zinc/89/70/80/582897080.db2.gz HMPKKCZFQZTUFI-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C=C[C@](C)(CC)C(=O)O[C@@H](C)C1CC1 786635671 582897185 /nfs/dbraw/zinc/89/71/85/582897185.db2.gz AXNNRVCQQIJXQH-JOYOIKCWSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@](C)(CC)COC(=O)CC1CC1 786529766 582897240 /nfs/dbraw/zinc/89/72/40/582897240.db2.gz WZBTVMHECNQQMA-LBPRGKRZSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@](C)(CC)COC(=O)CC1CC1 786529764 582897273 /nfs/dbraw/zinc/89/72/73/582897273.db2.gz WZBTVMHECNQQMA-GFCCVEGCSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@](C)(CC)COC(=O)[C@@H]1C[C@H]1C 786518869 582897281 /nfs/dbraw/zinc/89/72/81/582897281.db2.gz JAKAIWPHWSBJML-CKYFFXLPSA-N 0 0 196.290 2.788 10 30 AFEERN C=C[C@](C)(CC)COC(=O)[C@H]1C[C@@H]1C 786523711 582897327 /nfs/dbraw/zinc/89/73/27/582897327.db2.gz JAKAIWPHWSBJML-JBLDHEPKSA-N 0 0 196.290 2.788 10 30 AFEERN C=C[C@](C)(CC)C(=O)O[C@H](C)C1CC1 786635669 582897330 /nfs/dbraw/zinc/89/73/30/582897330.db2.gz AXNNRVCQQIJXQH-BXKDBHETSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@](C)(CC)COC(=O)[C@@H]1C[C@@H]1C 786523708 582897359 /nfs/dbraw/zinc/89/73/59/582897359.db2.gz JAKAIWPHWSBJML-HOSYDEDBSA-N 0 0 196.290 2.788 10 30 AFEERN CC[C@H](CC#N)OC(=O)[C@H](C)C(C)C 787087057 582897644 /nfs/dbraw/zinc/89/76/44/582897644.db2.gz YDMQMPDLEDQTKW-NXEZZACHSA-N 0 0 197.278 2.514 10 30 AFEERN CCC[C@H](C)C(=O)O[C@@H](CC)CC#N 787088707 582897688 /nfs/dbraw/zinc/89/76/88/582897688.db2.gz UOYPIRFWPLWYCU-UWVGGRQHSA-N 0 0 197.278 2.658 10 30 AFEERN CCC(CC)C(=O)O[C@@H](CC)CC#N 787091250 582897712 /nfs/dbraw/zinc/89/77/12/582897712.db2.gz APHYFSSYWJLVCL-JTQLQIEISA-N 0 0 197.278 2.658 10 30 AFEERN CCC(CC)C(=O)O[C@H](CC)CC#N 787091251 582897717 /nfs/dbraw/zinc/89/77/17/582897717.db2.gz APHYFSSYWJLVCL-SNVBAGLBSA-N 0 0 197.278 2.658 10 30 AFEERN CC/C=C(/C)C(=O)O[C@H](CC)CC#N 787078136 582897731 /nfs/dbraw/zinc/89/77/31/582897731.db2.gz ISKDJPDCRSNYIA-ABRRARGCSA-N 0 0 195.262 2.578 10 30 AFEERN CC[C@H](CC#N)OC(=O)[C@@H](C)C(C)C 787087060 582897745 /nfs/dbraw/zinc/89/77/45/582897745.db2.gz YDMQMPDLEDQTKW-VHSXEESVSA-N 0 0 197.278 2.514 10 30 AFEERN CCC/C=C\C(=O)O[C@H](CC)CC#N 787089791 582897778 /nfs/dbraw/zinc/89/77/78/582897778.db2.gz XADBKXBXXPBLCQ-JYESYGNLSA-N 0 0 195.262 2.578 10 30 AFEERN CCC[C@H](C)C(=O)O[C@H](CC)CC#N 787088708 582897829 /nfs/dbraw/zinc/89/78/29/582897829.db2.gz UOYPIRFWPLWYCU-VHSXEESVSA-N 0 0 197.278 2.658 10 30 AFEERN CC/C=C(\C)C(=O)O[C@H](CC)CC#N 787078139 582897869 /nfs/dbraw/zinc/89/78/69/582897869.db2.gz ISKDJPDCRSNYIA-OLKPEBQYSA-N 0 0 195.262 2.578 10 30 AFEERN C=CCCCC(=O)O[C@@H](CC)CC#N 787083563 582897996 /nfs/dbraw/zinc/89/79/96/582897996.db2.gz DCHCURIICHKHPH-JTQLQIEISA-N 0 0 195.262 2.578 10 30 AFEERN CCC/C=C/C(=O)O[C@@H](CC)CC#N 787089789 582898014 /nfs/dbraw/zinc/89/80/14/582898014.db2.gz XADBKXBXXPBLCQ-FGEFZZPRSA-N 0 0 195.262 2.578 10 30 AFEERN CC/C=C(\C)C(=O)O[C@@H](CC)CC#N 787078141 582898038 /nfs/dbraw/zinc/89/80/38/582898038.db2.gz ISKDJPDCRSNYIA-ZKXNXJMVSA-N 0 0 195.262 2.578 10 30 AFEERN CC[C@@H](CC#N)OC(=O)[C@H](C)C(C)C 787087061 582898039 /nfs/dbraw/zinc/89/80/39/582898039.db2.gz YDMQMPDLEDQTKW-ZJUUUORDSA-N 0 0 197.278 2.514 10 30 AFEERN CCC/C=C/C(=O)O[C@H](CC)CC#N 787089792 582898049 /nfs/dbraw/zinc/89/80/49/582898049.db2.gz XADBKXBXXPBLCQ-VQCYPWCPSA-N 0 0 195.262 2.578 10 30 AFEERN CC[C@H](CC#N)OC(=O)C(C)(C)CC 787088328 582898077 /nfs/dbraw/zinc/89/80/77/582898077.db2.gz FLYOYECFAGFRMW-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@H](CC#N)OC(=O)CC(C)(C)C 787089845 582898090 /nfs/dbraw/zinc/89/80/90/582898090.db2.gz YRGKEXIARYSPRZ-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN CCC/C=C\C(=O)O[C@@H](CC)CC#N 787089790 582898122 /nfs/dbraw/zinc/89/81/22/582898122.db2.gz XADBKXBXXPBLCQ-GFVADAIESA-N 0 0 195.262 2.578 10 30 AFEERN CC[C@@H](CC#N)OC(=O)CC(C)(C)C 787089847 582898164 /nfs/dbraw/zinc/89/81/64/582898164.db2.gz YRGKEXIARYSPRZ-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@H](CC#N)OC(=O)CCC(C)C 787086115 582898190 /nfs/dbraw/zinc/89/81/90/582898190.db2.gz JBSCMPMDERPTBE-SNVBAGLBSA-N 0 0 197.278 2.658 10 30 AFEERN CCCCCC(=O)O[C@H](CC)CC#N 787089922 582898320 /nfs/dbraw/zinc/89/83/20/582898320.db2.gz ZLNPCDGBXVTUHO-SNVBAGLBSA-N 0 0 197.278 2.802 10 30 AFEERN CCC[C@@H](C)C(=O)O[C@@H](CC)CC#N 787088709 582898325 /nfs/dbraw/zinc/89/83/25/582898325.db2.gz UOYPIRFWPLWYCU-ZJUUUORDSA-N 0 0 197.278 2.658 10 30 AFEERN CC/C=C(/C)C(=O)O[C@@H](CC)CC#N 787078137 582898334 /nfs/dbraw/zinc/89/83/34/582898334.db2.gz ISKDJPDCRSNYIA-MBACFSSFSA-N 0 0 195.262 2.578 10 30 AFEERN C=CCCCC(=O)O[C@H](CC)CC#N 787083565 582898346 /nfs/dbraw/zinc/89/83/46/582898346.db2.gz DCHCURIICHKHPH-SNVBAGLBSA-N 0 0 195.262 2.578 10 30 AFEERN CC[C@@H](CC#N)OC(=O)C(C)(C)CC 787088330 582898416 /nfs/dbraw/zinc/89/84/16/582898416.db2.gz FLYOYECFAGFRMW-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@@H](CC#N)OC(=O)[C@@H](C)C(C)C 787087058 582898450 /nfs/dbraw/zinc/89/84/50/582898450.db2.gz YDMQMPDLEDQTKW-UWVGGRQHSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](CC#N)OC(=O)CCC(C)C 787086114 582898478 /nfs/dbraw/zinc/89/84/78/582898478.db2.gz JBSCMPMDERPTBE-JTQLQIEISA-N 0 0 197.278 2.658 10 30 AFEERN CCCC(C)(C)CC(=O)O[C@H](C)C#N 787084396 582898487 /nfs/dbraw/zinc/89/84/87/582898487.db2.gz QAUJMRWNRKLMIE-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN CCCCCC(=O)O[C@@H](CC)CC#N 787089921 582898517 /nfs/dbraw/zinc/89/85/17/582898517.db2.gz ZLNPCDGBXVTUHO-JTQLQIEISA-N 0 0 197.278 2.802 10 30 AFEERN CCC[C@@H](C)C(=O)O[C@H](CC)CC#N 787088706 582898535 /nfs/dbraw/zinc/89/85/35/582898535.db2.gz UOYPIRFWPLWYCU-NXEZZACHSA-N 0 0 197.278 2.658 10 30 AFEERN CCCC(C)(C)CC(=O)O[C@@H](C)C#N 787084398 582898537 /nfs/dbraw/zinc/89/85/37/582898537.db2.gz QAUJMRWNRKLMIE-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN CCCCCCCC(=O)N1CC(C)C1 788196007 582901904 /nfs/dbraw/zinc/90/19/04/582901904.db2.gz RMNPLJVHWJMGIV-UHFFFAOYSA-N 0 0 197.322 2.825 10 30 AFEERN C=C(C)CN(CC)C(=O)/C(=C/C)CC 788699827 582903556 /nfs/dbraw/zinc/90/35/56/582903556.db2.gz DYTDFHGXBCDDNH-IZZDOVSWSA-N 0 0 195.306 2.767 10 30 AFEERN C=C(C)CN(CC)C(=O)/C(=C\C)CC 788699828 582904021 /nfs/dbraw/zinc/90/40/21/582904021.db2.gz DYTDFHGXBCDDNH-WDZFZDKYSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCCN(C)C(=O)/C(=C/C)CC 788872618 582904670 /nfs/dbraw/zinc/90/46/70/582904670.db2.gz RCZCNTPLTIHIRJ-IZZDOVSWSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCCN(C)C(=O)/C(=C\C)CC 788872619 582904757 /nfs/dbraw/zinc/90/47/57/582904757.db2.gz RCZCNTPLTIHIRJ-WDZFZDKYSA-N 0 0 195.306 2.767 10 30 AFEERN C/C=C(/CC)C(=O)O[C@H](CC)CC#N 789435438 582905320 /nfs/dbraw/zinc/90/53/20/582905320.db2.gz SZMSUZMHUCNQLD-ZUYFITGHSA-N 0 0 195.262 2.578 10 30 AFEERN N#CCCCCCC(=O)OC1CCC1 805889801 582905341 /nfs/dbraw/zinc/90/53/41/582905341.db2.gz OXUAVGOENKGPQJ-UHFFFAOYSA-N 0 0 195.262 2.556 10 30 AFEERN C/C=C(\CC)C(=O)O[C@@H](CC)CC#N 789435435 582905460 /nfs/dbraw/zinc/90/54/60/582905460.db2.gz SZMSUZMHUCNQLD-LLGDCAAFSA-N 0 0 195.262 2.578 10 30 AFEERN C/C=C(\CC)C(=O)O[C@H](CC)CC#N 789435437 582905504 /nfs/dbraw/zinc/90/55/04/582905504.db2.gz SZMSUZMHUCNQLD-WXLQGSQKSA-N 0 0 195.262 2.578 10 30 AFEERN C/C=C(/CC)C(=O)O[C@@H](CC)CC#N 789435434 582905873 /nfs/dbraw/zinc/90/58/73/582905873.db2.gz SZMSUZMHUCNQLD-FWAPLPHYSA-N 0 0 195.262 2.578 10 30 AFEERN C=C[C@H](C)OC(=O)CCCCCC#N 805923902 582909953 /nfs/dbraw/zinc/90/99/53/582909953.db2.gz QZADHDXDDSMOOB-JTQLQIEISA-N 0 0 195.262 2.578 10 30 AFEERN C=C[C@H](CC)OC(=O)C(C)(C)C1CC1 805908526 582907915 /nfs/dbraw/zinc/90/79/15/582907915.db2.gz ABQOQPXVGGJJGJ-SNVBAGLBSA-N 0 0 196.290 2.930 10 30 AFEERN O=C(/C=C\c1cocn1)c1ccccc1 790212286 582908905 /nfs/dbraw/zinc/90/89/05/582908905.db2.gz SUFLUSMPOXGJKH-SREVYHEPSA-N 0 0 199.209 2.571 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C(C)(C)C1CC1 805917034 582909022 /nfs/dbraw/zinc/90/90/22/582909022.db2.gz WZMJYCGIDAAIFC-SECBINFHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C(C)(C)C1CC1 805917035 582909385 /nfs/dbraw/zinc/90/93/85/582909385.db2.gz WZMJYCGIDAAIFC-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN O=C(/C=C/c1cocn1)c1ccccc1 790212287 582909423 /nfs/dbraw/zinc/90/94/23/582909423.db2.gz SUFLUSMPOXGJKH-VOTSOKGWSA-N 0 0 199.209 2.571 10 30 AFEERN C#CCCCCC(=O)OCC1(C)CC1 790805093 582909604 /nfs/dbraw/zinc/90/96/04/582909604.db2.gz DPQRJAIKCWUPIF-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=CCN(C(=O)C[C@H](C)CC)C(C)C 790583353 582909663 /nfs/dbraw/zinc/90/96/63/582909663.db2.gz DVHUWKDVBGTZRU-LLVKDONJSA-N 0 0 197.322 2.846 10 30 AFEERN CC#CCCCC(=O)OCC1(C)CC1 790796548 582909709 /nfs/dbraw/zinc/90/97/09/582909709.db2.gz HYTVSOCIRFDDAM-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=CCCCNC(=O)C[C@H](C)C1CC1 790580388 582909824 /nfs/dbraw/zinc/90/98/24/582909824.db2.gz PACKBROGAWMUDU-JTQLQIEISA-N 0 0 195.306 2.505 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OCC1(C)CC1 790805186 582909869 /nfs/dbraw/zinc/90/98/69/582909869.db2.gz GSJQUGPQBREGFA-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@@H](C)OC(=O)CCCCCC#N 805923917 582909901 /nfs/dbraw/zinc/90/99/01/582909901.db2.gz QZADHDXDDSMOOB-SNVBAGLBSA-N 0 0 195.262 2.578 10 30 AFEERN C=CCN(C(=O)C[C@@H](C)CC)C(C)C 790583354 582910027 /nfs/dbraw/zinc/91/00/27/582910027.db2.gz DVHUWKDVBGTZRU-NSHDSACASA-N 0 0 197.322 2.846 10 30 AFEERN C=CCCC/N=C/c1ccccc1O 790597865 582910051 /nfs/dbraw/zinc/91/00/51/582910051.db2.gz GZMMEIHSRRLUQK-JLHYYAGUSA-N 0 0 189.258 2.777 10 30 AFEERN C=CCCCNC(=O)C[C@@H](C)C1CC1 790580389 582910159 /nfs/dbraw/zinc/91/01/59/582910159.db2.gz PACKBROGAWMUDU-SNVBAGLBSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCCNC(=O)C=C(CC)CC 790578447 582910210 /nfs/dbraw/zinc/91/02/10/582910210.db2.gz AFKPCUNFDXKKQR-UHFFFAOYSA-N 0 0 195.306 2.815 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OCC1(C)CC1 790805187 582910215 /nfs/dbraw/zinc/91/02/15/582910215.db2.gz GSJQUGPQBREGFA-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCc1ccccc1OC(=O)OC 790360094 582910303 /nfs/dbraw/zinc/91/03/03/582910303.db2.gz CTSZBIFDXZWSEL-UHFFFAOYSA-N 0 0 192.214 2.560 10 30 AFEERN C=CCN(C(=O)C(CC)CC)C(C)C 791126115 582911259 /nfs/dbraw/zinc/91/12/59/582911259.db2.gz CWULYBSLSYPLGU-UHFFFAOYSA-N 0 0 197.322 2.846 10 30 AFEERN CC[C@H](C)CC(=O)O[C@@H](CC)CC#N 791891674 582914804 /nfs/dbraw/zinc/91/48/04/582914804.db2.gz RVCJPKPBRBGOOZ-UWVGGRQHSA-N 0 0 197.278 2.658 10 30 AFEERN C=CCCCNC(=O)/C=C(\C)CCC 791060913 582911626 /nfs/dbraw/zinc/91/16/26/582911626.db2.gz JEIOALLDMIJCEL-ZHACJKMWSA-N 0 0 195.306 2.815 10 30 AFEERN C=CCCCNC(=O)/C=C/C(C)(C)C 791111886 582911724 /nfs/dbraw/zinc/91/17/24/582911724.db2.gz LMNWEQYKTBZFAK-CMDGGOBGSA-N 0 0 195.306 2.671 10 30 AFEERN C=CCCCNC(=O)C=C1CCCC1 791061580 582911754 /nfs/dbraw/zinc/91/17/54/582911754.db2.gz LPRVRWFYLCZTBE-UHFFFAOYSA-N 0 0 193.290 2.569 10 30 AFEERN C=CCCCNC(=O)/C(C)=C(\C)CC 791112315 582911756 /nfs/dbraw/zinc/91/17/56/582911756.db2.gz SUUWCTLAJSMFIJ-ZHACJKMWSA-N 0 0 195.306 2.815 10 30 AFEERN C=CCCCNC(=O)/C=C(/C)CCC 791060912 582911833 /nfs/dbraw/zinc/91/18/33/582911833.db2.gz JEIOALLDMIJCEL-KHPPLWFESA-N 0 0 195.306 2.815 10 30 AFEERN C=CCCCNC(=O)/C(C)=C(/C)CC 791112314 582911903 /nfs/dbraw/zinc/91/19/03/582911903.db2.gz SUUWCTLAJSMFIJ-KHPPLWFESA-N 0 0 195.306 2.815 10 30 AFEERN C=CCCCNC(=O)/C=C\C(C)(C)C 791111887 582911907 /nfs/dbraw/zinc/91/19/07/582911907.db2.gz LMNWEQYKTBZFAK-HJWRWDBZSA-N 0 0 195.306 2.671 10 30 AFEERN C=CCCOC(=O)C1(CC=C)CCC1 791557308 582913982 /nfs/dbraw/zinc/91/39/82/582913982.db2.gz BKFHRBRGUIIWMW-UHFFFAOYSA-N 0 0 194.274 2.852 10 30 AFEERN CC[C@@H](C)CC(=O)O[C@H](C#N)C(C)C 791792445 582914559 /nfs/dbraw/zinc/91/45/59/582914559.db2.gz CADSKBHXYDEMDS-NXEZZACHSA-N 0 0 197.278 2.514 10 30 AFEERN C=CCC1(C(=O)O[C@@H](C)C=C)CCC1 791885614 582914591 /nfs/dbraw/zinc/91/45/91/582914591.db2.gz DFYLSJALKLAPIO-JTQLQIEISA-N 0 0 194.274 2.851 10 30 AFEERN CC[C@H](C)CC(=O)OCC(C)(C)C#N 791870670 582914617 /nfs/dbraw/zinc/91/46/17/582914617.db2.gz PCGLBMRJSBSZDV-VIFPVBQESA-N 0 0 197.278 2.516 10 30 AFEERN C=CCC1(C(=O)O[C@H](C)C=C)CCC1 791885615 582914708 /nfs/dbraw/zinc/91/47/08/582914708.db2.gz DFYLSJALKLAPIO-SNVBAGLBSA-N 0 0 194.274 2.851 10 30 AFEERN CC[C@H](C)CC(=O)O[C@H](CC)CC#N 791891675 582914713 /nfs/dbraw/zinc/91/47/13/582914713.db2.gz RVCJPKPBRBGOOZ-VHSXEESVSA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@@H](CC#N)OC(=O)C[C@H](C)CC 791891676 582914722 /nfs/dbraw/zinc/91/47/22/582914722.db2.gz RVCJPKPBRBGOOZ-ZJUUUORDSA-N 0 0 197.278 2.658 10 30 AFEERN C=CCC1(C(=O)OC2CCC2)CCC1 791818485 582914726 /nfs/dbraw/zinc/91/47/26/582914726.db2.gz OHOKFEULUKAGLS-UHFFFAOYSA-N 0 0 194.274 2.829 10 30 AFEERN CC[C@H](C)CC(=O)O[C@@H](C#N)C(C)C 791792448 582914794 /nfs/dbraw/zinc/91/47/94/582914794.db2.gz CADSKBHXYDEMDS-UWVGGRQHSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](C)CC(=O)O[C@@H](C#N)C(C)C 791792459 582914831 /nfs/dbraw/zinc/91/48/31/582914831.db2.gz CADSKBHXYDEMDS-ZJUUUORDSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@H](C)CC(=O)O[C@H](C#N)C(C)C 791792457 582914868 /nfs/dbraw/zinc/91/48/68/582914868.db2.gz CADSKBHXYDEMDS-VHSXEESVSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](C)CC(=O)OCC(C)(C)C#N 791870669 582914962 /nfs/dbraw/zinc/91/49/62/582914962.db2.gz PCGLBMRJSBSZDV-SECBINFHSA-N 0 0 197.278 2.516 10 30 AFEERN CC[C@@H](C)CC(=O)O[C@H](CC)CC#N 791891673 582914983 /nfs/dbraw/zinc/91/49/83/582914983.db2.gz RVCJPKPBRBGOOZ-NXEZZACHSA-N 0 0 197.278 2.658 10 30 AFEERN C[C@@H](NN=Cc1ccoc1)C(C)(C)C 793114222 582918009 /nfs/dbraw/zinc/91/80/09/582918009.db2.gz FIBWMTGUJYKJAB-SECBINFHSA-N 0 0 194.278 2.638 10 30 AFEERN CC[C@H](C)CON=C1CCO[C@H](C)C1 793158462 582918047 /nfs/dbraw/zinc/91/80/47/582918047.db2.gz GVAQWMHINLJRBK-VHSXEESVSA-N 0 0 199.294 2.604 10 30 AFEERN CC[C@@H](C)CON=C1CCO[C@H](C)C1 793158460 582918099 /nfs/dbraw/zinc/91/80/99/582918099.db2.gz GVAQWMHINLJRBK-NXEZZACHSA-N 0 0 199.294 2.604 10 30 AFEERN CC[C@H](C)CON=Cc1occc1C 793163100 582918116 /nfs/dbraw/zinc/91/81/16/582918116.db2.gz FJDRAHZUJHSBGT-VIFPVBQESA-N 0 0 195.262 2.985 10 30 AFEERN CC[C@@H](C)CON=Cc1occc1C 793163099 582918362 /nfs/dbraw/zinc/91/83/62/582918362.db2.gz FJDRAHZUJHSBGT-SECBINFHSA-N 0 0 195.262 2.985 10 30 AFEERN CC[C@H](C)CON=C1CCO[C@@H](C)C1 793158461 582918499 /nfs/dbraw/zinc/91/84/99/582918499.db2.gz GVAQWMHINLJRBK-UWVGGRQHSA-N 0 0 199.294 2.604 10 30 AFEERN CC[C@@H](C)CON=C1CCO[C@@H](C)C1 793158463 582918580 /nfs/dbraw/zinc/91/85/80/582918580.db2.gz GVAQWMHINLJRBK-ZJUUUORDSA-N 0 0 199.294 2.604 10 30 AFEERN C[C@H](NN=Cc1ccoc1)C(C)(C)C 793114224 582918627 /nfs/dbraw/zinc/91/86/27/582918627.db2.gz FIBWMTGUJYKJAB-VIFPVBQESA-N 0 0 194.278 2.638 10 30 AFEERN C[C@@H]1CC[C@H]1/N=C/c1ccccc1O 794675572 582920244 /nfs/dbraw/zinc/92/02/44/582920244.db2.gz DNPGBCULHCKXIO-QMJOALNRSA-N 0 0 189.258 2.610 10 30 AFEERN C[C@@H]1CC[C@@H]1/N=C\c1ccccc1O 794675571 582920760 /nfs/dbraw/zinc/92/07/60/582920760.db2.gz DNPGBCULHCKXIO-LXLDMJRISA-N 0 0 189.258 2.610 10 30 AFEERN C[C@@H]1CC[C@H]1/N=C\c1ccccc1O 794675570 582920989 /nfs/dbraw/zinc/92/09/89/582920989.db2.gz DNPGBCULHCKXIO-ANYQKZHNSA-N 0 0 189.258 2.610 10 30 AFEERN C[C@@H]1CC[C@@H]1/N=C/c1ccccc1O 794675573 582921170 /nfs/dbraw/zinc/92/11/70/582921170.db2.gz DNPGBCULHCKXIO-QMNRKCHLSA-N 0 0 189.258 2.610 10 30 AFEERN C=C[C@@H](C)OC(=O)c1ccoc1CC 797561408 582928274 /nfs/dbraw/zinc/92/82/74/582928274.db2.gz RIKSJIWJJHOIRN-MRVPVSSYSA-N 0 0 194.230 2.573 10 30 AFEERN C=CCC(C)(C)C(=O)OCCC#CC 796462474 582924656 /nfs/dbraw/zinc/92/46/56/582924656.db2.gz CTRMQWMRFRQDMU-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN C=CCC(C)(C)C(=O)OCC1CCC1 796461451 582924803 /nfs/dbraw/zinc/92/48/03/582924803.db2.gz HMQDNLOTPWBVMD-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN CCC#C[C@@H](C)N(CC(C)(C)C)OC 796470631 582924826 /nfs/dbraw/zinc/92/48/26/582924826.db2.gz FYQLXKSYJRIRQD-LLVKDONJSA-N 0 0 197.322 2.698 10 30 AFEERN CCC#C[C@H](C)N(CC(C)(C)C)OC 796470632 582924894 /nfs/dbraw/zinc/92/48/94/582924894.db2.gz FYQLXKSYJRIRQD-NSHDSACASA-N 0 0 197.322 2.698 10 30 AFEERN C=CCC(C)(C)C(=O)OCCC1CC1 796454463 582925361 /nfs/dbraw/zinc/92/53/61/582925361.db2.gz DYUQFNRVPVWOOM-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCC(C)(C)C(=O)OC[C@H]1C[C@H]1C 796805001 582926104 /nfs/dbraw/zinc/92/61/04/582926104.db2.gz ZEGRDXHKMLDHEK-NXEZZACHSA-N 0 0 196.290 2.788 10 30 AFEERN C#C[C@H](C)OC(=O)[C@](C)(CC)CCC 796729226 582926115 /nfs/dbraw/zinc/92/61/15/582926115.db2.gz WKBDBEHPGLOFBW-CMPLNLGQSA-N 0 0 196.290 2.768 10 30 AFEERN C=CCC(C)(C)C(=O)O[C@@H](C)C1CC1 796776347 582926336 /nfs/dbraw/zinc/92/63/36/582926336.db2.gz VLUHEKXSBBUSFG-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN C#C[C@H](C)OC(=O)[C@@](C)(CC)CCC 796729229 582926369 /nfs/dbraw/zinc/92/63/69/582926369.db2.gz WKBDBEHPGLOFBW-JQWIXIFHSA-N 0 0 196.290 2.768 10 30 AFEERN C=CCC(C)(C)C(=O)OC[C@@H]1C[C@@H]1C 796805009 582926380 /nfs/dbraw/zinc/92/63/80/582926380.db2.gz ZEGRDXHKMLDHEK-UWVGGRQHSA-N 0 0 196.290 2.788 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@](C)(CC)CCC 796729232 582926447 /nfs/dbraw/zinc/92/64/47/582926447.db2.gz WKBDBEHPGLOFBW-ZYHUDNBSSA-N 0 0 196.290 2.768 10 30 AFEERN C=CCC(C)(C)C(=O)OC[C@H]1C[C@@H]1C 796805015 582926536 /nfs/dbraw/zinc/92/65/36/582926536.db2.gz ZEGRDXHKMLDHEK-VHSXEESVSA-N 0 0 196.290 2.788 10 30 AFEERN C=CCC(C)(C)C(=O)OC[C@@H]1C[C@H]1C 796805023 582926599 /nfs/dbraw/zinc/92/65/99/582926599.db2.gz ZEGRDXHKMLDHEK-ZJUUUORDSA-N 0 0 196.290 2.788 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@@](C)(CC)CCC 796729231 582926633 /nfs/dbraw/zinc/92/66/33/582926633.db2.gz WKBDBEHPGLOFBW-PWSUYJOCSA-N 0 0 196.290 2.768 10 30 AFEERN CC[C@H](C)CCC(=O)O[C@H](C)CC#N 797016738 582926921 /nfs/dbraw/zinc/92/69/21/582926921.db2.gz LFERPZZCQGHLMV-VHSXEESVSA-N 0 0 197.278 2.658 10 30 AFEERN C=C[C@@H](CC)OC(=O)C1CC(C)(C)C1 797227200 582926925 /nfs/dbraw/zinc/92/69/25/582926925.db2.gz GXCGFRSRJJKBBE-JTQLQIEISA-N 0 0 196.290 2.930 10 30 AFEERN CC[C@H](C)CCC(=O)OC[C@@H](C)C#N 797162268 582927039 /nfs/dbraw/zinc/92/70/39/582927039.db2.gz SPJMDBJUCHVIFK-UWVGGRQHSA-N 0 0 197.278 2.516 10 30 AFEERN CC[C@H](C)CCC(=O)OC(C)(C)C#N 797141780 582927061 /nfs/dbraw/zinc/92/70/61/582927061.db2.gz UJOAQINOBIJNKH-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN C#C[C@@H](CC)OC(=O)C(C)(C)CC=C 797090418 582927073 /nfs/dbraw/zinc/92/70/73/582927073.db2.gz HDDLYVPWNIOCBY-JTQLQIEISA-N 0 0 194.274 2.544 10 30 AFEERN C=CCC(C)(C)C(=O)O[C@@H]1C=CCC1 797050361 582927136 /nfs/dbraw/zinc/92/71/36/582927136.db2.gz YFSQKUVLYLISRG-SNVBAGLBSA-N 0 0 194.274 2.851 10 30 AFEERN CC[C@@](C)(C#N)C(=O)O[C@H](C)C(C)C 797152414 582927138 /nfs/dbraw/zinc/92/71/38/582927138.db2.gz ZBWCLBCIXLDKHP-KOLCDFICSA-N 0 0 197.278 2.514 10 30 AFEERN C#C[C@H](CC)OC(=O)C(C)(C)CC=C 797090419 582927139 /nfs/dbraw/zinc/92/71/39/582927139.db2.gz HDDLYVPWNIOCBY-SNVBAGLBSA-N 0 0 194.274 2.544 10 30 AFEERN CC[C@](C)(C#N)C(=O)O[C@H](C)C(C)C 797152415 582927161 /nfs/dbraw/zinc/92/71/61/582927161.db2.gz ZBWCLBCIXLDKHP-MWLCHTKSSA-N 0 0 197.278 2.514 10 30 AFEERN C=CCC(C)(C)C(=O)OCC1(C)CC1 797207166 582927297 /nfs/dbraw/zinc/92/72/97/582927297.db2.gz PODJRQWBOAVEQS-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=C[C@H](CC)OC(=O)C1CC(C)(C)C1 797227201 582927327 /nfs/dbraw/zinc/92/73/27/582927327.db2.gz GXCGFRSRJJKBBE-SNVBAGLBSA-N 0 0 196.290 2.930 10 30 AFEERN CC[C@H](C)CCC(=O)O[C@@H](C)CC#N 797016737 582927342 /nfs/dbraw/zinc/92/73/42/582927342.db2.gz LFERPZZCQGHLMV-UWVGGRQHSA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@@H](C)CCC(=O)OC(C)(C)C#N 797141776 582927380 /nfs/dbraw/zinc/92/73/80/582927380.db2.gz UJOAQINOBIJNKH-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@H](C)CCC(=O)OC[C@H](C)C#N 797162270 582927401 /nfs/dbraw/zinc/92/74/01/582927401.db2.gz SPJMDBJUCHVIFK-VHSXEESVSA-N 0 0 197.278 2.516 10 30 AFEERN C=C(C)CCOC(=O)C1CC(C)(C)C1 797080385 582927407 /nfs/dbraw/zinc/92/74/07/582927407.db2.gz YDQGKDPJEDWXAN-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=CCC(C)(C)C(=O)O[C@H]1C=CCC1 797050360 582927414 /nfs/dbraw/zinc/92/74/14/582927414.db2.gz YFSQKUVLYLISRG-JTQLQIEISA-N 0 0 194.274 2.851 10 30 AFEERN CC[C@](C)(C#N)C(=O)O[C@@H](C)C(C)C 797152412 582927427 /nfs/dbraw/zinc/92/74/27/582927427.db2.gz ZBWCLBCIXLDKHP-GXSJLCMTSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](C)CCC(=O)O[C@H](C)CC#N 797016736 582927479 /nfs/dbraw/zinc/92/74/79/582927479.db2.gz LFERPZZCQGHLMV-NXEZZACHSA-N 0 0 197.278 2.658 10 30 AFEERN CC#CCCOC(=O)CC[C@H](C)CC 797254422 582927503 /nfs/dbraw/zinc/92/75/03/582927503.db2.gz DGAXMXFNNCUYDI-LLVKDONJSA-N 0 0 196.290 2.769 10 30 AFEERN CC#CCCOC(=O)CC[C@@H](C)CC 797254423 582927506 /nfs/dbraw/zinc/92/75/06/582927506.db2.gz DGAXMXFNNCUYDI-NSHDSACASA-N 0 0 196.290 2.769 10 30 AFEERN CC[C@@H](C)CCC(=O)OC[C@@H](C)C#N 797162273 582927524 /nfs/dbraw/zinc/92/75/24/582927524.db2.gz SPJMDBJUCHVIFK-ZJUUUORDSA-N 0 0 197.278 2.516 10 30 AFEERN CC[C@@](C)(C#N)C(=O)O[C@@H](C)C(C)C 797152416 582927526 /nfs/dbraw/zinc/92/75/26/582927526.db2.gz ZBWCLBCIXLDKHP-ONGXEEELSA-N 0 0 197.278 2.514 10 30 AFEERN CC[C@@H](C)CCC(=O)O[C@@H](C)CC#N 797016740 582927537 /nfs/dbraw/zinc/92/75/37/582927537.db2.gz LFERPZZCQGHLMV-ZJUUUORDSA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@@H](C)CCC(=O)OC[C@H](C)C#N 797162263 582927541 /nfs/dbraw/zinc/92/75/41/582927541.db2.gz SPJMDBJUCHVIFK-NXEZZACHSA-N 0 0 197.278 2.516 10 30 AFEERN C=C[C@H](C)OC(=O)c1ccoc1CC 797561410 582927760 /nfs/dbraw/zinc/92/77/60/582927760.db2.gz RIKSJIWJJHOIRN-QMMMGPOBSA-N 0 0 194.230 2.573 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C1CC(C)(C)C1 797310236 582927883 /nfs/dbraw/zinc/92/78/83/582927883.db2.gz VJDJWOPTDOASJL-SECBINFHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCC(C)(C)C(=O)OC1CC(C)C1 797287621 582928012 /nfs/dbraw/zinc/92/80/12/582928012.db2.gz TTZSYNKSTLDDJG-UHFFFAOYSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C1CC(C)(C)C1 797310239 582928141 /nfs/dbraw/zinc/92/81/41/582928141.db2.gz VJDJWOPTDOASJL-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)c1ccc(N)c(CC)c1 854189752 583234868 /nfs/dbraw/zinc/23/48/68/583234868.db2.gz HXHPVWCOJVWAHT-UHFFFAOYSA-N 0 0 161.248 2.864 10 30 AFEERN C=CC[C@H](CC)NC(=O)[C@@H]1CC1(C)C 798553976 582931589 /nfs/dbraw/zinc/93/15/89/582931589.db2.gz JVRYDEISJGCUKX-UWVGGRQHSA-N 0 0 195.306 2.503 10 30 AFEERN C=CC[C@@H](CC)NC(=O)[C@@H]1CC1(C)C 798553977 582931769 /nfs/dbraw/zinc/93/17/69/582931769.db2.gz JVRYDEISJGCUKX-ZJUUUORDSA-N 0 0 195.306 2.503 10 30 AFEERN C=CCOC(=O)c1ccoc1CCC 798708337 582932088 /nfs/dbraw/zinc/93/20/88/582932088.db2.gz KNHFDPPNMRCXEP-UHFFFAOYSA-N 0 0 194.230 2.575 10 30 AFEERN CCON=C(C)c1coc(C(C)C)n1 799476312 582932820 /nfs/dbraw/zinc/93/28/20/582932820.db2.gz CGRLFWZSZSBZIS-UHFFFAOYSA-N 0 0 196.250 2.559 10 30 AFEERN CC[C@H](C)NN=C1CCC[C@@H]2C[C@]12C 799885771 582933583 /nfs/dbraw/zinc/93/35/83/582933583.db2.gz BZFICOLXJLLGTL-UMNHJUIQSA-N 0 0 194.322 2.941 10 30 AFEERN CC(C)CNN=C1CCC[C@@H]2C[C@]12C 799883464 582933769 /nfs/dbraw/zinc/93/37/69/582933769.db2.gz DESDCHQKCLBCDQ-PWSUYJOCSA-N 0 0 194.322 2.798 10 30 AFEERN CC#CCCOC(=O)[C@@H](C)CCCC 800275982 582933784 /nfs/dbraw/zinc/93/37/84/582933784.db2.gz GJDFFBAFLMLETE-NSHDSACASA-N 0 0 196.290 2.769 10 30 AFEERN CC#CCCOC(=O)[C@H](C)CCCC 800275981 582933831 /nfs/dbraw/zinc/93/38/31/582933831.db2.gz GJDFFBAFLMLETE-LLVKDONJSA-N 0 0 196.290 2.769 10 30 AFEERN CC[C@H](C)NN=C1CCC[C@H]2C[C@@]12C 799885768 582933921 /nfs/dbraw/zinc/93/39/21/582933921.db2.gz BZFICOLXJLLGTL-JBLDHEPKSA-N 0 0 194.322 2.941 10 30 AFEERN CC(C)CNN=C1CCC[C@H]2C[C@@]12C 799883462 582934001 /nfs/dbraw/zinc/93/40/01/582934001.db2.gz DESDCHQKCLBCDQ-CMPLNLGQSA-N 0 0 194.322 2.798 10 30 AFEERN C#C[C@@H](CC)OC(=O)[C@H](C)CCCC 800406275 582934229 /nfs/dbraw/zinc/93/42/29/582934229.db2.gz KKRLSNWPJFDOEI-MNOVXSKESA-N 0 0 196.290 2.768 10 30 AFEERN CCCC[C@H](C)C(=O)OC[C@H](C)C#N 800399547 582934279 /nfs/dbraw/zinc/93/42/79/582934279.db2.gz PGJRYNTYBHXWKL-ZJUUUORDSA-N 0 0 197.278 2.516 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@H](C)CCCC 800406274 582934371 /nfs/dbraw/zinc/93/43/71/582934371.db2.gz KKRLSNWPJFDOEI-GHMZBOCLSA-N 0 0 196.290 2.768 10 30 AFEERN C#C[C@@H](CC)OC(=O)[C@@H](C)CCCC 800406276 582934437 /nfs/dbraw/zinc/93/44/37/582934437.db2.gz KKRLSNWPJFDOEI-QWRGUYRKSA-N 0 0 196.290 2.768 10 30 AFEERN CCCC[C@H](C)C(=O)O[C@H](C)CC#N 800393037 582934440 /nfs/dbraw/zinc/93/44/40/582934440.db2.gz UDUWPRBBONNJMA-VHSXEESVSA-N 0 0 197.278 2.658 10 30 AFEERN CCCC[C@H](C)C(=O)OC(C)(C)C#N 800398181 582934503 /nfs/dbraw/zinc/93/45/03/582934503.db2.gz FDQPWXFDMPLPAD-VIFPVBQESA-N 0 0 197.278 2.658 10 30 AFEERN CCCC[C@H](C)C(=O)O[C@@H](C)CC#N 800393036 582934643 /nfs/dbraw/zinc/93/46/43/582934643.db2.gz UDUWPRBBONNJMA-UWVGGRQHSA-N 0 0 197.278 2.658 10 30 AFEERN CCCC[C@@H](C)C(=O)OC(C)(C)C#N 800398180 582934672 /nfs/dbraw/zinc/93/46/72/582934672.db2.gz FDQPWXFDMPLPAD-SECBINFHSA-N 0 0 197.278 2.658 10 30 AFEERN CCCC[C@@H](C)C(=O)OC[C@H](C)C#N 800399544 582934696 /nfs/dbraw/zinc/93/46/96/582934696.db2.gz PGJRYNTYBHXWKL-NXEZZACHSA-N 0 0 197.278 2.516 10 30 AFEERN CCCC[C@@H](C)C(=O)O[C@@H](C)CC#N 800393039 582934706 /nfs/dbraw/zinc/93/47/06/582934706.db2.gz UDUWPRBBONNJMA-ZJUUUORDSA-N 0 0 197.278 2.658 10 30 AFEERN CCCC[C@@H](C)C(=O)O[C@H](C)CC#N 800393034 582934724 /nfs/dbraw/zinc/93/47/24/582934724.db2.gz UDUWPRBBONNJMA-NXEZZACHSA-N 0 0 197.278 2.658 10 30 AFEERN CCCC[C@H](C)C(=O)OC[C@@H](C)C#N 800399545 582934743 /nfs/dbraw/zinc/93/47/43/582934743.db2.gz PGJRYNTYBHXWKL-UWVGGRQHSA-N 0 0 197.278 2.516 10 30 AFEERN CCCC[C@@H](C)C(=O)OC[C@@H](C)C#N 800399546 582934865 /nfs/dbraw/zinc/93/48/65/582934865.db2.gz PGJRYNTYBHXWKL-VHSXEESVSA-N 0 0 197.278 2.516 10 30 AFEERN C#C[C@H](CC)OC(=O)[C@@H](C)CCCC 800406277 582934893 /nfs/dbraw/zinc/93/48/93/582934893.db2.gz KKRLSNWPJFDOEI-WDEREUQCSA-N 0 0 196.290 2.768 10 30 AFEERN C=CCCCNC(=O)C1CC(C)(C)C1 803233233 582938759 /nfs/dbraw/zinc/93/87/59/582938759.db2.gz YWXWSMYNECLMPH-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C#CCC(C)(C)C(=O)OCCC(=C)C 803438732 582939067 /nfs/dbraw/zinc/93/90/67/582939067.db2.gz CPTKHHRBMACTFR-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN C=C(CC)COC(=O)C1CC(C)(C)C1 803755237 582940327 /nfs/dbraw/zinc/94/03/27/582940327.db2.gz BGMVQEMGYGDTJY-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN CC(C)CO[C@@H]1C[C@@H](S)C1(C)C 757162083 582947516 /nfs/dbraw/zinc/94/75/16/582947516.db2.gz BPZQCSOXCJATSS-RKDXNWHRSA-N 0 0 188.336 2.756 10 30 AFEERN C=CC(=O)Cc1ccc(Cl)c(C)c1 757153784 582945073 /nfs/dbraw/zinc/94/50/73/582945073.db2.gz SHHLLUXPFZVVSN-UHFFFAOYSA-N 0 0 194.661 2.946 10 30 AFEERN CC1=C[C@@H](C)C[C@H](CS)C1 757159206 582945367 /nfs/dbraw/zinc/94/53/67/582945367.db2.gz BDPFNJPXKODWLG-APPZFPTMSA-N 0 0 156.294 2.909 10 30 AFEERN S[C@@H]1Cc2ccc(Cl)cc2C1 757159373 582945688 /nfs/dbraw/zinc/94/56/88/582945688.db2.gz KAIDNNDIZOQBBB-SECBINFHSA-N 0 0 184.691 2.737 10 30 AFEERN C[C@H]1CC[C@@H](C)[C@H](C)[C@@H]1S 757159382 582945759 /nfs/dbraw/zinc/94/57/59/582945759.db2.gz BEOMGTWVAFHOJL-RYPBNFRJSA-N 0 0 158.310 2.987 10 30 AFEERN S[C@H]1Cc2ccc(Cl)cc2C1 757159387 582945968 /nfs/dbraw/zinc/94/59/68/582945968.db2.gz KAIDNNDIZOQBBB-VIFPVBQESA-N 0 0 184.691 2.737 10 30 AFEERN C[C@H]1CC[C@@H](C)[C@@H](C)[C@@H]1S 757159370 582946006 /nfs/dbraw/zinc/94/60/06/582946006.db2.gz BEOMGTWVAFHOJL-BZNPZCIMSA-N 0 0 158.310 2.987 10 30 AFEERN C[C@H]1CC[C@@H](C)[C@@H](C)[C@H]1S 757159386 582946010 /nfs/dbraw/zinc/94/60/10/582946010.db2.gz BEOMGTWVAFHOJL-XAVMHZPKSA-N 0 0 158.310 2.987 10 30 AFEERN CC1=C[C@H](C)C[C@@H](CS)C1 757159322 582946142 /nfs/dbraw/zinc/94/61/42/582946142.db2.gz BDPFNJPXKODWLG-IONNQARKSA-N 0 0 156.294 2.909 10 30 AFEERN CC1=C[C@@H](C)C[C@@H](CS)C1 757159366 582946260 /nfs/dbraw/zinc/94/62/60/582946260.db2.gz BDPFNJPXKODWLG-VXNVDRBHSA-N 0 0 156.294 2.909 10 30 AFEERN C[C@H]1CC[C@@H](C)[C@H](C)[C@H]1S 757159389 582946416 /nfs/dbraw/zinc/94/64/16/582946416.db2.gz BEOMGTWVAFHOJL-XGEHTFHBSA-N 0 0 158.310 2.987 10 30 AFEERN COc1ccc([C@H](C)S)c(F)c1 757162431 582946453 /nfs/dbraw/zinc/94/64/53/582946453.db2.gz DHLXWQAMLURYIH-LURJTMIESA-N 0 0 186.251 2.825 10 30 AFEERN N#CC1(c2ccccc2)CC(S)C1 757159506 582946480 /nfs/dbraw/zinc/94/64/80/582946480.db2.gz MDYKMEUVACVZLP-UHFFFAOYSA-N 0 0 189.283 2.540 10 30 AFEERN CCO[C@@H]1C[C@@H](S)[C@]1(C)CC 757161277 582946538 /nfs/dbraw/zinc/94/65/38/582946538.db2.gz XVHBRRMSAGCVKD-IWSPIJDZSA-N 0 0 174.309 2.510 10 30 AFEERN CCO[C@@H]1C[C@@H](S)[C@@]1(C)CC 757161251 582946576 /nfs/dbraw/zinc/94/65/76/582946576.db2.gz XVHBRRMSAGCVKD-HLTSFMKQSA-N 0 0 174.309 2.510 10 30 AFEERN COc1ccc([C@@H](C)S)c(F)c1 757162435 582946600 /nfs/dbraw/zinc/94/66/00/582946600.db2.gz DHLXWQAMLURYIH-ZCFIWIBFSA-N 0 0 186.251 2.825 10 30 AFEERN COc1cccc(C2CC(S)C2)c1 757162028 582946708 /nfs/dbraw/zinc/94/67/08/582946708.db2.gz AYILAODBDLQFQD-UHFFFAOYSA-N 0 0 194.299 2.871 10 30 AFEERN CCO[C@@H]1C[C@H](S)[C@]1(C)CC 757161266 582946762 /nfs/dbraw/zinc/94/67/62/582946762.db2.gz XVHBRRMSAGCVKD-HRDYMLBCSA-N 0 0 174.309 2.510 10 30 AFEERN COc1cc(C)ccc1[C@@H](C)S 757162439 582946970 /nfs/dbraw/zinc/94/69/70/582946970.db2.gz DMOARARBINFQLT-MRVPVSSYSA-N 0 0 182.288 2.994 10 30 AFEERN CCO[C@@H]1C[C@H](S)[C@@]1(C)CC 757161280 582947002 /nfs/dbraw/zinc/94/70/02/582947002.db2.gz XVHBRRMSAGCVKD-VGMNWLOBSA-N 0 0 174.309 2.510 10 30 AFEERN SCc1c[nH]nc1-c1cccs1 757161139 582947038 /nfs/dbraw/zinc/94/70/38/582947038.db2.gz XBLJHNFSYVAWTO-UHFFFAOYSA-N 0 0 196.300 2.568 10 30 AFEERN Cc1c(CS)n(C)c2ccccc12 757159752 582947081 /nfs/dbraw/zinc/94/70/81/582947081.db2.gz VHNNCIHILCTQIH-UHFFFAOYSA-N 0 0 191.299 2.917 10 30 AFEERN C=CCOc1ccccc1CS 757159789 582947088 /nfs/dbraw/zinc/94/70/88/582947088.db2.gz HUDCLYYHVXURCZ-UHFFFAOYSA-N 0 0 180.272 2.681 10 30 AFEERN COc1cc(C)ccc1[C@H](C)S 757162443 582947198 /nfs/dbraw/zinc/94/71/98/582947198.db2.gz DMOARARBINFQLT-QMMMGPOBSA-N 0 0 182.288 2.994 10 30 AFEERN S[C@H]1CSCc2ccccc21 757162065 582947454 /nfs/dbraw/zinc/94/74/54/582947454.db2.gz BPRUTNXABSYLCJ-VIFPVBQESA-N 0 0 182.313 2.904 10 30 AFEERN Oc1ccc2c(c1)CCC[C@H]2S 757162300 582947472 /nfs/dbraw/zinc/94/74/72/582947472.db2.gz FRSZAEDXZNWUSZ-SNVBAGLBSA-N 0 0 180.272 2.699 10 30 AFEERN SCc1ccccc1N1CCCC1 757161334 582947587 /nfs/dbraw/zinc/94/75/87/582947587.db2.gz YGVGFSWHJCVZRI-UHFFFAOYSA-N 0 0 193.315 2.717 10 30 AFEERN SCc1ccc(N2CCCC2)cc1 757160988 582947597 /nfs/dbraw/zinc/94/75/97/582947597.db2.gz VEVONVYTVKVAEK-UHFFFAOYSA-N 0 0 193.315 2.717 10 30 AFEERN COc1cc([C@H](C)S)ccc1F 757161062 582947602 /nfs/dbraw/zinc/94/76/02/582947602.db2.gz WRWILWORAWSRDH-LURJTMIESA-N 0 0 186.251 2.825 10 30 AFEERN CC(C)CO[C@H]1C[C@H](S)C1(C)C 757162081 582947676 /nfs/dbraw/zinc/94/76/76/582947676.db2.gz BPZQCSOXCJATSS-IUCAKERBSA-N 0 0 188.336 2.756 10 30 AFEERN S[C@@H]1CSCc2ccccc21 757162058 582947770 /nfs/dbraw/zinc/94/77/70/582947770.db2.gz BPRUTNXABSYLCJ-SECBINFHSA-N 0 0 182.313 2.904 10 30 AFEERN C[C@H](S)c1ccc(OCC#N)cc1 757162390 582947791 /nfs/dbraw/zinc/94/77/91/582947791.db2.gz GMZYNWKNXVMLAH-QMMMGPOBSA-N 0 0 193.271 2.580 10 30 AFEERN Oc1ccc2c(c1)CCC[C@@H]2S 757162297 582947838 /nfs/dbraw/zinc/94/78/38/582947838.db2.gz FRSZAEDXZNWUSZ-JTQLQIEISA-N 0 0 180.272 2.699 10 30 AFEERN C[C@H](S)c1cnn(C2CCC2)c1 757163397 582947901 /nfs/dbraw/zinc/94/79/01/582947901.db2.gz PGTPESKIJZKUPL-ZETCQYMHSA-N 0 0 182.292 2.599 10 30 AFEERN COc1cc([C@@H](C)S)ccc1F 757161066 582947909 /nfs/dbraw/zinc/94/79/09/582947909.db2.gz WRWILWORAWSRDH-ZCFIWIBFSA-N 0 0 186.251 2.825 10 30 AFEERN CC(C)CO[C@@H]1C[C@H](S)C1(C)C 757162068 582947984 /nfs/dbraw/zinc/94/79/84/582947984.db2.gz BPZQCSOXCJATSS-BDAKNGLRSA-N 0 0 188.336 2.756 10 30 AFEERN C[C@@H](S)c1cnn(C2CCC2)c1 757163395 582947996 /nfs/dbraw/zinc/94/79/96/582947996.db2.gz PGTPESKIJZKUPL-SSDOTTSWSA-N 0 0 182.292 2.599 10 30 AFEERN CC(C)CO[C@H]1C[C@@H](S)C1(C)C 757162080 582948002 /nfs/dbraw/zinc/94/80/02/582948002.db2.gz BPZQCSOXCJATSS-DTWKUNHWSA-N 0 0 188.336 2.756 10 30 AFEERN C[C@@H](S)c1ccc(OCC#N)cc1 757162386 582948037 /nfs/dbraw/zinc/94/80/37/582948037.db2.gz GMZYNWKNXVMLAH-MRVPVSSYSA-N 0 0 193.271 2.580 10 30 AFEERN C[C@H](S)CCc1ccco1 757161332 582948062 /nfs/dbraw/zinc/94/80/62/582948062.db2.gz YBJDRILABZMMFY-ZETCQYMHSA-N 0 0 156.250 2.531 10 30 AFEERN C[C@@H](S)CCc1ccco1 757161311 582948100 /nfs/dbraw/zinc/94/81/00/582948100.db2.gz YBJDRILABZMMFY-SSDOTTSWSA-N 0 0 156.250 2.531 10 30 AFEERN N#Cc1c(C2CCCCC2)c[nH]c1N 757170504 582948551 /nfs/dbraw/zinc/94/85/51/582948551.db2.gz IWPMTWSFYLGODU-UHFFFAOYSA-N 0 0 189.262 2.516 10 30 AFEERN Cc1nn([C@@H](C)C(C)(C)C)cc1C#N 757190273 582949637 /nfs/dbraw/zinc/94/96/37/582949637.db2.gz KCUNDPFXRHDNEM-VIFPVBQESA-N 0 0 191.278 2.670 10 30 AFEERN CC[C@@H]1CCC1=NNCC1CCCC1 808005451 582957073 /nfs/dbraw/zinc/95/70/73/582957073.db2.gz DKNZGYBKSVUYOZ-LLVKDONJSA-N 0 0 194.322 2.942 10 30 AFEERN CC[C@H]1CCC1=NNCC1CCCC1 808005452 582957245 /nfs/dbraw/zinc/95/72/45/582957245.db2.gz DKNZGYBKSVUYOZ-NSHDSACASA-N 0 0 194.322 2.942 10 30 AFEERN CC1(C)CCC1=NNCC1CCCC1 808006876 582957311 /nfs/dbraw/zinc/95/73/11/582957311.db2.gz GABSOTMINDCWJC-UHFFFAOYSA-N 0 0 194.322 2.942 10 30 AFEERN CC(CC1CC1)=NNCC1CCCC1 808006912 582957441 /nfs/dbraw/zinc/95/74/41/582957441.db2.gz HIGXKLCDRLJVPI-UHFFFAOYSA-N 0 0 194.322 2.942 10 30 AFEERN C#CCC(C)(C)C(=O)OCC=C(C)C 808537003 582958887 /nfs/dbraw/zinc/95/88/87/582958887.db2.gz GXAHSLPBVQDHFA-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN C#CCCOC(=O)CC1(C)CCCC1 808621059 582959299 /nfs/dbraw/zinc/95/92/99/582959299.db2.gz RYNKQVUKBGIHKV-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN CC#CCOC(=O)CC1(C)CCCC1 808620118 582959393 /nfs/dbraw/zinc/95/93/93/582959393.db2.gz QIEAXSDQQVLJFO-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C#C[C@H](C)OC(=O)CC1(C)CCCC1 808988223 582959975 /nfs/dbraw/zinc/95/99/75/582959975.db2.gz PDOXAYQUQDMBDU-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN CCCON=C(C)[C@@H](C)CC 842565138 582960107 /nfs/dbraw/zinc/96/01/07/582960107.db2.gz COZATTQQGQNDBA-QMMMGPOBSA-N 0 0 157.257 2.835 10 30 AFEERN C#CCN(C)c1ccccc1C(C)C 808794515 582960200 /nfs/dbraw/zinc/96/02/00/582960200.db2.gz BBEUTGVUXJIPHL-UHFFFAOYSA-N 0 0 187.286 2.879 10 30 AFEERN C#C[C@@H](C)OC(=O)CC1(C)CCCC1 808988226 582960408 /nfs/dbraw/zinc/96/04/08/582960408.db2.gz PDOXAYQUQDMBDU-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN CCCON=C(C)[C@H](C)CC 842565137 582960418 /nfs/dbraw/zinc/96/04/18/582960418.db2.gz COZATTQQGQNDBA-MRVPVSSYSA-N 0 0 157.257 2.835 10 30 AFEERN C#CCC(C)(C)C(=O)OC/C=C\CC 810544049 582964345 /nfs/dbraw/zinc/96/43/45/582964345.db2.gz UCMYLBIWNJGAMC-FPLPWBNLSA-N 0 0 194.274 2.545 10 30 AFEERN C#CCC(C)(C)C(=O)OCC(C)(C)C 810566356 582964401 /nfs/dbraw/zinc/96/44/01/582964401.db2.gz OMHQSFVUZAMLPW-UHFFFAOYSA-N 0 0 196.290 2.625 10 30 AFEERN C#CCC(C)(C)C(=O)OC/C=C/CC 810544048 582964582 /nfs/dbraw/zinc/96/45/82/582964582.db2.gz UCMYLBIWNJGAMC-BQYQJAHWSA-N 0 0 194.274 2.545 10 30 AFEERN C=C(C)CNN=C1CCC[C@@H](C)[C@H]1C 811651186 582967941 /nfs/dbraw/zinc/96/79/41/582967941.db2.gz KSDICZJIRPLHCM-GHMZBOCLSA-N 0 0 194.322 2.964 10 30 AFEERN C#CCC(C)(C)C(=O)O[C@H](C=C)CC 810654895 582965248 /nfs/dbraw/zinc/96/52/48/582965248.db2.gz BKYYAPNBOWMAHT-SNVBAGLBSA-N 0 0 194.274 2.544 10 30 AFEERN N#CCCSC/C(Cl)=C\Cl 840210997 582965357 /nfs/dbraw/zinc/96/53/57/582965357.db2.gz FDPRQBFETQNICZ-GQCTYLIASA-N 0 0 196.102 2.952 10 30 AFEERN C#CCC(C)(C)C(=O)O[C@H](C)C(C)C 810631106 582965504 /nfs/dbraw/zinc/96/55/04/582965504.db2.gz FAYFRAHDXNALNE-SNVBAGLBSA-N 0 0 196.290 2.624 10 30 AFEERN CC(C)SCCSCCC#N 840210989 582965569 /nfs/dbraw/zinc/96/55/69/582965569.db2.gz DQLAYIUOWWBXRS-UHFFFAOYSA-N 0 0 189.349 2.775 10 30 AFEERN N#CCCSCOC1CCCC1 840211341 582965644 /nfs/dbraw/zinc/96/56/44/582965644.db2.gz HFVWDWZCZQTTIE-UHFFFAOYSA-N 0 0 185.292 2.550 10 30 AFEERN N#CCCSC/C(Cl)=C/Cl 840210998 582965649 /nfs/dbraw/zinc/96/56/49/582965649.db2.gz FDPRQBFETQNICZ-XQRVVYSFSA-N 0 0 196.102 2.952 10 30 AFEERN C#CCC(C)(C)C(=O)O[C@@H](C)C(=C)C 810671955 582965705 /nfs/dbraw/zinc/96/57/05/582965705.db2.gz LQQFSJGVKNXLHH-JTQLQIEISA-N 0 0 194.274 2.544 10 30 AFEERN C#CCC(C)(C)C(=O)O[C@H](C)C(=C)C 810671956 582965708 /nfs/dbraw/zinc/96/57/08/582965708.db2.gz LQQFSJGVKNXLHH-SNVBAGLBSA-N 0 0 194.274 2.544 10 30 AFEERN N#CCCSCC1CC(F)(F)C1 840210990 582965726 /nfs/dbraw/zinc/96/57/26/582965726.db2.gz DQPUAQWCFBFBIW-UHFFFAOYSA-N 0 0 191.246 2.679 10 30 AFEERN C#CCC(C)(C)C(=O)O[C@@H](C=C)CC 810654894 582965807 /nfs/dbraw/zinc/96/58/07/582965807.db2.gz BKYYAPNBOWMAHT-JTQLQIEISA-N 0 0 194.274 2.544 10 30 AFEERN C#CCC(C)(C)C(=O)O[C@@H](C)C(C)C 810631105 582965847 /nfs/dbraw/zinc/96/58/47/582965847.db2.gz FAYFRAHDXNALNE-JTQLQIEISA-N 0 0 196.290 2.624 10 30 AFEERN C=CCCCCOC(=O)/C=C\C1CC1 811010734 582966156 /nfs/dbraw/zinc/96/61/56/582966156.db2.gz XOFHAHJVAZXZPA-HJWRWDBZSA-N 0 0 194.274 2.852 10 30 AFEERN C=CCCCCOC(=O)C1=CCCC1 811012280 582966618 /nfs/dbraw/zinc/96/66/18/582966618.db2.gz FBFCTCZFSDEXJP-UHFFFAOYSA-N 0 0 194.274 2.996 10 30 AFEERN C=CCCCCOC(=O)/C=C/C1CC1 811010732 582966704 /nfs/dbraw/zinc/96/67/04/582966704.db2.gz XOFHAHJVAZXZPA-CMDGGOBGSA-N 0 0 194.274 2.852 10 30 AFEERN C=CCCCCOC(=O)[C@@H]1CC1(C)C 811012589 582966797 /nfs/dbraw/zinc/96/67/97/582966797.db2.gz PQDLZDLXXACHBU-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)CN=NC1CCC2(CC1)CC2 811650259 582967202 /nfs/dbraw/zinc/96/72/02/582967202.db2.gz SOOQLFNQOXEEFJ-UHFFFAOYSA-N 0 0 192.306 2.862 10 30 AFEERN C=C(C)CN=NC[C@@H]1CCC[C@@H](C)C1 811651635 582967261 /nfs/dbraw/zinc/96/72/61/582967261.db2.gz HWCADFHMKXXZKX-VXGBXAGGSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC1CC[C@@H](C)[C@H](C)C1 811651730 582967329 /nfs/dbraw/zinc/96/73/29/582967329.db2.gz LQAGDQYRCHLUAN-GHMZBOCLSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC1CCC[C@H]1C(C)C 811650585 582967338 /nfs/dbraw/zinc/96/73/38/582967338.db2.gz GUKPCGYVZGGLEE-NSHDSACASA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CCC[C@H]2C[C@@]12C 811650725 582967360 /nfs/dbraw/zinc/96/73/60/582967360.db2.gz NHYFNMRAJKBSLN-CMPLNLGQSA-N 0 0 192.306 2.718 10 30 AFEERN C=C(C)CN=NC1CC[C@H](C)C[C@@H]1C 811651327 582967378 /nfs/dbraw/zinc/96/73/78/582967378.db2.gz RNALRRQUFLAZEK-QWRGUYRKSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CCC[C@@H]2C[C@]12C 811650727 582967390 /nfs/dbraw/zinc/96/73/90/582967390.db2.gz NHYFNMRAJKBSLN-PWSUYJOCSA-N 0 0 192.306 2.718 10 30 AFEERN C=C(C)CN=NC1CC[C@@H]1C(C)(C)C 811651670 582967397 /nfs/dbraw/zinc/96/73/97/582967397.db2.gz JKGBMFXIXYDRHT-JTQLQIEISA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC[C@H]1CCC[C@@H](C)C1 811651632 582967405 /nfs/dbraw/zinc/96/74/05/582967405.db2.gz HWCADFHMKXXZKX-NEPJUHHUSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C(C)c1ccccc1 811651558 582967419 /nfs/dbraw/zinc/96/74/19/582967419.db2.gz DELJJJIKEKPVOB-UHFFFAOYSA-N 0 0 188.274 2.576 10 30 AFEERN C=C(C)CNN=C1C[C@@H](C)C[C@@H](C)C1 811650008 582967449 /nfs/dbraw/zinc/96/74/49/582967449.db2.gz HOBRPQRJDGBRRF-PHIMTYICSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CC[C@H]1C(C)(C)C 811651671 582967472 /nfs/dbraw/zinc/96/74/72/582967472.db2.gz JKGBMFXIXYDRHT-SNVBAGLBSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CC[C@@H](C)C[C@H]1C 811651325 582967473 /nfs/dbraw/zinc/96/74/73/582967473.db2.gz RNALRRQUFLAZEK-GHMZBOCLSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC1CC[C@H](C)[C@@H](C)C1 811651732 582967498 /nfs/dbraw/zinc/96/74/98/582967498.db2.gz LQAGDQYRCHLUAN-QWRGUYRKSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CCC[C@@H]1CCF 811652768 582967522 /nfs/dbraw/zinc/96/75/22/582967522.db2.gz WZSUPISNFUANNQ-SNVBAGLBSA-N 0 0 198.285 2.668 10 30 AFEERN C=C(C)CNN=C1CCC[C@@H](C)[C@@H]1C 811651187 582967550 /nfs/dbraw/zinc/96/75/50/582967550.db2.gz KSDICZJIRPLHCM-MNOVXSKESA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC1CC[C@H](C)C[C@H]1C 811651328 582967631 /nfs/dbraw/zinc/96/76/31/582967631.db2.gz RNALRRQUFLAZEK-WDEREUQCSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CC(C)(C)C[C@H]1C 811650345 582967675 /nfs/dbraw/zinc/96/76/75/582967675.db2.gz VXYDLBDVZQOJAP-SNVBAGLBSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC1CCC[C@H](C)[C@@H]1C 811651188 582967724 /nfs/dbraw/zinc/96/77/24/582967724.db2.gz KSDICZJIRPLHCM-QWRGUYRKSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CC[C@@H](C)C[C@@H]1C 811651326 582967732 /nfs/dbraw/zinc/96/77/32/582967732.db2.gz RNALRRQUFLAZEK-MNOVXSKESA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC1CCC[C@H]1CCF 811652767 582967771 /nfs/dbraw/zinc/96/77/71/582967771.db2.gz WZSUPISNFUANNQ-JTQLQIEISA-N 0 0 198.285 2.668 10 30 AFEERN C=C(C)CN=NC1CC[C@@H](C)[C@@H](C)C1 811651731 582967799 /nfs/dbraw/zinc/96/77/99/582967799.db2.gz LQAGDQYRCHLUAN-MNOVXSKESA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CCC[C@@H]1C(C)C 811650584 582967852 /nfs/dbraw/zinc/96/78/52/582967852.db2.gz GUKPCGYVZGGLEE-LLVKDONJSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1C[C@H](C)C[C@@H](C)C1 811650007 582967856 /nfs/dbraw/zinc/96/78/56/582967856.db2.gz HOBRPQRJDGBRRF-GHMZBOCLSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CCC[C@H](C)[C@H]1C 811651189 582967863 /nfs/dbraw/zinc/96/78/63/582967863.db2.gz KSDICZJIRPLHCM-WDEREUQCSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC[C@@H]1CCC[C@H](C)C1 811651633 582967894 /nfs/dbraw/zinc/96/78/94/582967894.db2.gz HWCADFHMKXXZKX-NWDGAFQWSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C[C@H]1CCC[C@H](C)C1 811651634 582967903 /nfs/dbraw/zinc/96/79/03/582967903.db2.gz HWCADFHMKXXZKX-RYUDHWBXSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC1C[C@@H](C)C[C@H](C)C1 811650009 582967907 /nfs/dbraw/zinc/96/79/07/582967907.db2.gz HOBRPQRJDGBRRF-QWRGUYRKSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CNN=C1CC[C@H](C)[C@H](C)C1 811651733 582967917 /nfs/dbraw/zinc/96/79/17/582967917.db2.gz LQAGDQYRCHLUAN-WDEREUQCSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CN=NC1CC(C)(C)C[C@@H]1C 811650344 582967923 /nfs/dbraw/zinc/96/79/23/582967923.db2.gz VXYDLBDVZQOJAP-JTQLQIEISA-N 0 0 194.322 2.964 10 30 AFEERN Cc1ccccc1C=NOC1CCC1 812235279 582969265 /nfs/dbraw/zinc/96/92/65/582969265.db2.gz BTVDUDCRIYBAOH-UHFFFAOYSA-N 0 0 189.258 2.898 10 30 AFEERN C#CCON=C1CCC[C@@H]1CCCF 812236072 582969445 /nfs/dbraw/zinc/96/94/45/582969445.db2.gz GMSMCVBOHBREHJ-SNVBAGLBSA-N 0 0 197.253 2.542 10 30 AFEERN Fc1ccc(C=NOC2CCC2)cc1 812235361 582969470 /nfs/dbraw/zinc/96/94/70/582969470.db2.gz DNWKRHJJOSOKLD-UHFFFAOYSA-N 0 0 193.221 2.729 10 30 AFEERN C#CCON=C1CCC[C@H]1CCCF 812236067 582969472 /nfs/dbraw/zinc/96/94/72/582969472.db2.gz GMSMCVBOHBREHJ-JTQLQIEISA-N 0 0 197.253 2.542 10 30 AFEERN C#CCON=C1C[C@H](C)CC(C)(C)C1 812236563 582969586 /nfs/dbraw/zinc/96/95/86/582969586.db2.gz RYAWEULAWAUZBV-JTQLQIEISA-N 0 0 193.290 2.838 10 30 AFEERN Oc1ccccc1/C=N\CCCCF 812445121 582970024 /nfs/dbraw/zinc/97/00/24/582970024.db2.gz RIDRWAIRDFZFPC-LCYFTJDESA-N 0 0 195.237 2.561 10 30 AFEERN Oc1ccccc1/C=N/CCCCF 812445123 582970363 /nfs/dbraw/zinc/97/03/63/582970363.db2.gz RIDRWAIRDFZFPC-UKTHLTGXSA-N 0 0 195.237 2.561 10 30 AFEERN CC1(OC(=O)CCCC#N)CCCC1 813076960 582972215 /nfs/dbraw/zinc/97/22/15/582972215.db2.gz QUWPZDGHAXVFPW-UHFFFAOYSA-N 0 0 195.262 2.556 10 30 AFEERN CCC[C@H](CC)OC(=O)CCCC#N 813075573 582972276 /nfs/dbraw/zinc/97/22/76/582972276.db2.gz DTPSFBFXBUBVFY-JTQLQIEISA-N 0 0 197.278 2.802 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@@H]1C[C@H]1CCC 813084288 582972309 /nfs/dbraw/zinc/97/23/09/582972309.db2.gz MKZXVZFXOCHJKS-GMTAPVOTSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)[C@H](C)OC(=O)[C@@H]1C[C@H]1CCC 813084289 582972342 /nfs/dbraw/zinc/97/23/42/582972342.db2.gz MKZXVZFXOCHJKS-HBNTYKKESA-N 0 0 196.290 2.930 10 30 AFEERN C#C[C@H](CC)OC(=O)CCCC1CC1 813086670 582972606 /nfs/dbraw/zinc/97/26/06/582972606.db2.gz UAHVJJIADMGYQT-LLVKDONJSA-N 0 0 194.274 2.522 10 30 AFEERN CCC[C@@H](CC)OC(=O)CCCC#N 813075576 582972610 /nfs/dbraw/zinc/97/26/10/582972610.db2.gz DTPSFBFXBUBVFY-SNVBAGLBSA-N 0 0 197.278 2.802 10 30 AFEERN C#C[C@@H](CC)OC(=O)CCCC1CC1 813086672 582972644 /nfs/dbraw/zinc/97/26/44/582972644.db2.gz UAHVJJIADMGYQT-NSHDSACASA-N 0 0 194.274 2.522 10 30 AFEERN CCC[C@@H](C)COC(=O)CCCC#N 813090761 582972719 /nfs/dbraw/zinc/97/27/19/582972719.db2.gz PUKBOODWHPUBQW-SNVBAGLBSA-N 0 0 197.278 2.660 10 30 AFEERN CCCC[C@H](C)OC(=O)CCCC#N 813076468 582972767 /nfs/dbraw/zinc/97/27/67/582972767.db2.gz MUIYMFRPBXHAHU-JTQLQIEISA-N 0 0 197.278 2.802 10 30 AFEERN CCC(C)(C)COC(=O)CCCC#N 813073162 582972770 /nfs/dbraw/zinc/97/27/70/582972770.db2.gz MOVYTJHDASJENW-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN CCC[C@H](C)COC(=O)CCCC#N 813090759 582972874 /nfs/dbraw/zinc/97/28/74/582972874.db2.gz PUKBOODWHPUBQW-JTQLQIEISA-N 0 0 197.278 2.660 10 30 AFEERN CCCC[C@@H](C)OC(=O)CCCC#N 813076469 582972933 /nfs/dbraw/zinc/97/29/33/582972933.db2.gz MUIYMFRPBXHAHU-SNVBAGLBSA-N 0 0 197.278 2.802 10 30 AFEERN C=C(C)C[C@H](C)C(=O)OC1CC(C)C1 813232295 582973386 /nfs/dbraw/zinc/97/33/86/582973386.db2.gz FAAXANAGEGHMPS-YVNMAJEFSA-N 0 0 196.290 2.930 10 30 AFEERN CC#CCCCC(=O)OC1CC(C)C1 813232818 582973614 /nfs/dbraw/zinc/97/36/14/582973614.db2.gz LXTUAHDXJUFGNK-UHFFFAOYSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCCCC(=O)OC1CC(C)C1 813229768 582973690 /nfs/dbraw/zinc/97/36/90/582973690.db2.gz PKLQETPZNKXIIA-UHFFFAOYSA-N 0 0 194.274 2.522 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)OC1CC(C)C1 813232294 582973762 /nfs/dbraw/zinc/97/37/62/582973762.db2.gz FAAXANAGEGHMPS-HSOILSAZSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCC(C)(C)COC(=O)[C@@H]1C[C@@H]1C 814005849 582975822 /nfs/dbraw/zinc/97/58/22/582975822.db2.gz VFKFXZXZHDHLDS-VHSXEESVSA-N 0 0 196.290 2.788 10 30 AFEERN C=CCC(C)(C)COC(=O)[C@@H]1C[C@H]1C 814005847 582975925 /nfs/dbraw/zinc/97/59/25/582975925.db2.gz VFKFXZXZHDHLDS-NXEZZACHSA-N 0 0 196.290 2.788 10 30 AFEERN CCC(=O)OCC#CC1CCCCC1 814094606 582976090 /nfs/dbraw/zinc/97/60/90/582976090.db2.gz PACORQIMUOBJKT-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=CCC(C)(C)COC(=O)[C@H]1C[C@H]1C 814005851 582976258 /nfs/dbraw/zinc/97/62/58/582976258.db2.gz VFKFXZXZHDHLDS-ZJUUUORDSA-N 0 0 196.290 2.788 10 30 AFEERN C[C@]12C[C@H]1CCCC2=NOCC1CC1 814241414 582976285 /nfs/dbraw/zinc/97/62/85/582976285.db2.gz KOIWXXUTDZBMSW-PWSUYJOCSA-N 0 0 193.290 2.979 10 30 AFEERN C[C@@]12C[C@@H]1CCCC2=NOCC1CC1 814241408 582976344 /nfs/dbraw/zinc/97/63/44/582976344.db2.gz KOIWXXUTDZBMSW-CMPLNLGQSA-N 0 0 193.290 2.979 10 30 AFEERN C=CCC(C)(C)COC(=O)[C@H]1C[C@@H]1C 814005848 582976475 /nfs/dbraw/zinc/97/64/75/582976475.db2.gz VFKFXZXZHDHLDS-UWVGGRQHSA-N 0 0 196.290 2.788 10 30 AFEERN Cc1cccc(C=NOCC2CC2)c1 814243552 582976849 /nfs/dbraw/zinc/97/68/49/582976849.db2.gz BZMYAEHNQPBHGM-UHFFFAOYSA-N 0 0 189.258 2.756 10 30 AFEERN FCC[C@H]1CCCC1=NOCC1CC1 814244174 582977191 /nfs/dbraw/zinc/97/71/91/582977191.db2.gz HFYMPTUFUZVDTF-SNVBAGLBSA-N 0 0 199.269 2.929 10 30 AFEERN FCC[C@@H]1CCCC1=NOCC1CC1 814244173 582977404 /nfs/dbraw/zinc/97/74/04/582977404.db2.gz HFYMPTUFUZVDTF-JTQLQIEISA-N 0 0 199.269 2.929 10 30 AFEERN CC#CCOC(=O)C(C)(C)C(C)(C)C 814487362 582978268 /nfs/dbraw/zinc/97/82/68/582978268.db2.gz NWMQIDUMYWQJBL-UHFFFAOYSA-N 0 0 196.290 2.625 10 30 AFEERN C#CCCOC(=O)C(C)(C)C(C)(C)C 814488195 582978284 /nfs/dbraw/zinc/97/82/84/582978284.db2.gz DTEWCFPAOLUTBK-UHFFFAOYSA-N 0 0 196.290 2.625 10 30 AFEERN C[C@@H]1C(N=Nc2ccccn2)C[C@H]1C 814731781 582978645 /nfs/dbraw/zinc/97/86/45/582978645.db2.gz JKYDZHLQISKARJ-BDAKNGLRSA-N 0 0 189.262 2.525 10 30 AFEERN CCC(=NOC)c1ccc(F)cc1F 814795463 582978792 /nfs/dbraw/zinc/97/87/92/582978792.db2.gz DZRRYVNUIFEDIF-UHFFFAOYSA-N 0 0 199.200 2.725 10 30 AFEERN CON=Cc1ccc(C2CCC2)cc1 814795419 582978865 /nfs/dbraw/zinc/97/88/65/582978865.db2.gz DNFZDBLTGHNRRC-UHFFFAOYSA-N 0 0 189.258 2.934 10 30 AFEERN C[C@@H]1CC(N=Nc2ccccn2)[C@@H]1C 814731784 582979028 /nfs/dbraw/zinc/97/90/28/582979028.db2.gz JKYDZHLQISKARJ-RKDXNWHRSA-N 0 0 189.262 2.525 10 30 AFEERN C[C@H]1CC(N=Nc2ccccn2)[C@H]1C 814731783 582979079 /nfs/dbraw/zinc/97/90/79/582979079.db2.gz JKYDZHLQISKARJ-IUCAKERBSA-N 0 0 189.262 2.525 10 30 AFEERN C[C@H]1CC(N=Nc2ccccn2)[C@@H]1C 814731782 582979440 /nfs/dbraw/zinc/97/94/40/582979440.db2.gz JKYDZHLQISKARJ-DTWKUNHWSA-N 0 0 189.262 2.525 10 30 AFEERN C[C@@H]1C(=NO[C@@H]2CCCCO2)C[C@H]1C 814887998 582979625 /nfs/dbraw/zinc/97/96/25/582979625.db2.gz OJQACKYMHUSVPW-WCABBAIRSA-N 0 0 197.278 2.562 10 30 AFEERN C[C@@H]1C(=NO[C@H]2CCCCO2)C[C@H]1C 814887999 582979910 /nfs/dbraw/zinc/97/99/10/582979910.db2.gz OJQACKYMHUSVPW-YWVKMMECSA-N 0 0 197.278 2.562 10 30 AFEERN CC(C)C1CC(=NNC2CCCC2)C1 814833119 582979990 /nfs/dbraw/zinc/97/99/90/582979990.db2.gz YMMAMNLSZWRJCE-UHFFFAOYSA-N 0 0 194.322 2.941 10 30 AFEERN C=CCCC(CCC)=NOCCOC 814864579 582979994 /nfs/dbraw/zinc/97/99/94/582979994.db2.gz DJZWVOFFFLVFAA-UHFFFAOYSA-N 0 0 199.294 2.772 10 30 AFEERN C[C@@H]1CC(=NO[C@H]2CCCCO2)[C@@H]1C 814887997 582980119 /nfs/dbraw/zinc/98/01/19/582980119.db2.gz OJQACKYMHUSVPW-KKZNHRDASA-N 0 0 197.278 2.562 10 30 AFEERN C[C@@H]1CC(=NO[C@@H]2CCCCO2)[C@@H]1C 814887996 582980190 /nfs/dbraw/zinc/98/01/90/582980190.db2.gz OJQACKYMHUSVPW-FXPVBKGRSA-N 0 0 197.278 2.562 10 30 AFEERN Cc1ccnc(N=NC2CC(C)C2)c1 814867413 582980204 /nfs/dbraw/zinc/98/02/04/582980204.db2.gz CUKUFQXVONBKNS-UHFFFAOYSA-N 0 0 189.262 2.588 10 30 AFEERN CC(=NNC1CCCC1)[C@@H]1CC1(C)C 814832625 582980219 /nfs/dbraw/zinc/98/02/19/582980219.db2.gz JMXFSANCOCJXFB-NSHDSACASA-N 0 0 194.322 2.941 10 30 AFEERN CC(=NNC1CCCC1)[C@H]1CC1(C)C 814832624 582980267 /nfs/dbraw/zinc/98/02/67/582980267.db2.gz JMXFSANCOCJXFB-LLVKDONJSA-N 0 0 194.322 2.941 10 30 AFEERN N#C[C@H]1CCCC(=NOC2CCC2)C1 814936208 582980574 /nfs/dbraw/zinc/98/05/74/582980574.db2.gz DRQAHWIEYJMNGW-VIFPVBQESA-N 0 0 192.262 2.625 10 30 AFEERN C#CCON=C1CCCC12CCCC2 814936230 582980685 /nfs/dbraw/zinc/98/06/85/582980685.db2.gz GADXHFDNUOPUMV-UHFFFAOYSA-N 0 0 191.274 2.737 10 30 AFEERN C=C(C)CNN=C(CC)c1ccco1 814932722 582980738 /nfs/dbraw/zinc/98/07/38/582980738.db2.gz PZLRFAFZSLRRAZ-UHFFFAOYSA-N 0 0 192.262 2.559 10 30 AFEERN N#C[C@@H]1CCCC(=NOC2CCC2)C1 814936207 582980823 /nfs/dbraw/zinc/98/08/23/582980823.db2.gz DRQAHWIEYJMNGW-SECBINFHSA-N 0 0 192.262 2.625 10 30 AFEERN CC(C)OCCON=C1CC(C)(C)C1 814936666 582980888 /nfs/dbraw/zinc/98/08/88/582980888.db2.gz FSGZUBTXPXJENG-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN C=C(C)CNN=C1CC[C@@H]1C1CCC1 814932442 582980914 /nfs/dbraw/zinc/98/09/14/582980914.db2.gz FIPMPZOQJOOTSY-LLVKDONJSA-N 0 0 192.306 2.718 10 30 AFEERN C[C@H]1CCC(=NNCC2CCCC2)C1 814933193 582981073 /nfs/dbraw/zinc/98/10/73/582981073.db2.gz HLFHNDXBEBIQAR-JTQLQIEISA-N 0 0 194.322 2.942 10 30 AFEERN C[C@@H]1CCC(=NNCC2CCCC2)C1 814933194 582981081 /nfs/dbraw/zinc/98/10/81/582981081.db2.gz HLFHNDXBEBIQAR-SNVBAGLBSA-N 0 0 194.322 2.942 10 30 AFEERN C=C(C)CNN=C1CC[C@H]1C1CCC1 814932443 582981116 /nfs/dbraw/zinc/98/11/16/582981116.db2.gz FIPMPZOQJOOTSY-NSHDSACASA-N 0 0 192.306 2.718 10 30 AFEERN C=C(C)COC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 815362245 582983716 /nfs/dbraw/zinc/98/37/16/582983716.db2.gz BIKPFSDVBABFHE-PEGIJTEDSA-N 0 0 194.274 2.542 10 30 AFEERN C=CCCOC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 815360293 582983871 /nfs/dbraw/zinc/98/38/71/582983871.db2.gz RTVSKKITCLEJRR-PEGIJTEDSA-N 0 0 194.274 2.542 10 30 AFEERN C=C[C@H](C)OC(=O)C(F)=C1CCCC1 816032754 582984185 /nfs/dbraw/zinc/98/41/85/582984185.db2.gz NCWYRLGRTKPPNJ-QMMMGPOBSA-N 0 0 198.237 2.902 10 30 AFEERN C#C[C@@H](C)OC(=O)C(C)(C)C(C)(C)C 815959697 582984289 /nfs/dbraw/zinc/98/42/89/582984289.db2.gz MIKZADRBBQRKEY-SECBINFHSA-N 0 0 196.290 2.624 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 816032864 582984291 /nfs/dbraw/zinc/98/42/91/582984291.db2.gz QSHMUUZEDWPZOV-MWGHHZFTSA-N 0 0 194.274 2.540 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)[C@H]1C[C@@H]1C1CC1 816017745 582984292 /nfs/dbraw/zinc/98/42/92/582984292.db2.gz LQKZEOKFZLBKRD-IEBDPFPHSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 816032862 582984323 /nfs/dbraw/zinc/98/43/23/582984323.db2.gz QSHMUUZEDWPZOV-GUDRVLHUSA-N 0 0 194.274 2.540 10 30 AFEERN C#C[C@H](C)OC(=O)C(C)(C)C(C)(C)C 815959698 582984331 /nfs/dbraw/zinc/98/43/31/582984331.db2.gz MIKZADRBBQRKEY-VIFPVBQESA-N 0 0 196.290 2.624 10 30 AFEERN C=C[C@@H](C)OC(=O)CC(C)(C)C1CC1 816032679 582984403 /nfs/dbraw/zinc/98/44/03/582984403.db2.gz KKXMEYKLPZGLDL-SECBINFHSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)CC(C)(C)C1CC1 816032680 582984498 /nfs/dbraw/zinc/98/44/98/582984498.db2.gz KKXMEYKLPZGLDL-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@@H](C)OC(=O)C(F)=C1CCCC1 816032753 582984549 /nfs/dbraw/zinc/98/45/49/582984549.db2.gz NCWYRLGRTKPPNJ-MRVPVSSYSA-N 0 0 198.237 2.902 10 30 AFEERN C=CCCC(=O)OCc1coc(C)c1 816245978 582984972 /nfs/dbraw/zinc/98/49/72/582984972.db2.gz SVCVMRFBARQDPY-UHFFFAOYSA-N 0 0 194.230 2.597 10 30 AFEERN C#CCCCC(=O)OCC1(CC)CC1 816187225 582985264 /nfs/dbraw/zinc/98/52/64/582985264.db2.gz IDLKUQOUYABVFS-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=CCCC(=O)OCc1ccc(C)o1 816431448 582985447 /nfs/dbraw/zinc/98/54/47/582985447.db2.gz HUAKIFHGULUONG-UHFFFAOYSA-N 0 0 194.230 2.597 10 30 AFEERN C=CCCCCOC(=O)[C@H]1CC12CC2 817232704 582992954 /nfs/dbraw/zinc/99/29/54/582992954.db2.gz LZCNKSXZDJQFRJ-SNVBAGLBSA-N 0 0 194.274 2.686 10 30 AFEERN C=C(C)COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 817200168 582992979 /nfs/dbraw/zinc/99/29/79/582992979.db2.gz GZHSUCWERPJQRB-GMTAPVOTSA-N 0 0 194.274 2.542 10 30 AFEERN C=CCCCCOC(=O)[C@@H]1CC12CC2 817232703 582993034 /nfs/dbraw/zinc/99/30/34/582993034.db2.gz LZCNKSXZDJQFRJ-JTQLQIEISA-N 0 0 194.274 2.686 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@H]1CC12CC2 817233649 582993066 /nfs/dbraw/zinc/99/30/66/582993066.db2.gz UCMXBLIRCIECKW-VHSXEESVSA-N 0 0 194.274 2.684 10 30 AFEERN C=C(C)COC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 817200167 582993086 /nfs/dbraw/zinc/99/30/86/582993086.db2.gz GZHSUCWERPJQRB-AXFHLTTASA-N 0 0 194.274 2.542 10 30 AFEERN C=CCC[C@H](C)OC(=O)[C@@H]1CC12CC2 817233648 582993232 /nfs/dbraw/zinc/99/32/32/582993232.db2.gz UCMXBLIRCIECKW-UWVGGRQHSA-N 0 0 194.274 2.684 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@@H]1CC12CC2 817233650 582993348 /nfs/dbraw/zinc/99/33/48/582993348.db2.gz UCMXBLIRCIECKW-ZJUUUORDSA-N 0 0 194.274 2.684 10 30 AFEERN C=CCCOC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 817205140 582993360 /nfs/dbraw/zinc/99/33/60/582993360.db2.gz ZELXQTYFKRPMLA-GMTAPVOTSA-N 0 0 194.274 2.542 10 30 AFEERN C=CCCOC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 817205139 582993433 /nfs/dbraw/zinc/99/34/33/582993433.db2.gz ZELXQTYFKRPMLA-AXFHLTTASA-N 0 0 194.274 2.542 10 30 AFEERN FC(F)(F)CC=NOC1CCCC1 817325731 582993798 /nfs/dbraw/zinc/99/37/98/582993798.db2.gz GMUOULXELZQSHY-UHFFFAOYSA-N 0 0 195.184 2.884 10 30 AFEERN CON=Cc1cccc(C2CC2)c1 817322650 582993962 /nfs/dbraw/zinc/99/39/62/582993962.db2.gz GJLVDNKCECOXHE-UHFFFAOYSA-N 0 0 175.231 2.544 10 30 AFEERN C=CCC[C@@H](C)OC(=O)[C@H]1CC12CC2 817233647 582993977 /nfs/dbraw/zinc/99/39/77/582993977.db2.gz UCMXBLIRCIECKW-NXEZZACHSA-N 0 0 194.274 2.684 10 30 AFEERN CON=C1CC2(CCCCC2)C1 817323486 582993979 /nfs/dbraw/zinc/99/39/79/582993979.db2.gz ZRHJOWUYJXUSCY-UHFFFAOYSA-N 0 0 167.252 2.733 10 30 AFEERN CCON=Cc1cccc(C2CC2)c1 817322671 582994053 /nfs/dbraw/zinc/99/40/53/582994053.db2.gz HJRMHAZLOMMPSD-UHFFFAOYSA-N 0 0 189.258 2.934 10 30 AFEERN C=CCNN=C1CC2(CCCCC2)C1 817327013 582994773 /nfs/dbraw/zinc/99/47/73/582994773.db2.gz AQMRSVCYTGDCFQ-UHFFFAOYSA-N 0 0 192.306 2.862 10 30 AFEERN C#CCON=C1CC2(CCCCC2)C1 817328558 582994671 /nfs/dbraw/zinc/99/46/71/582994671.db2.gz GEDIJUMJNQKDIR-UHFFFAOYSA-N 0 0 191.274 2.737 10 30 AFEERN C#CCON=Cc1cccc(C2CC2)c1 817328552 582995249 /nfs/dbraw/zinc/99/52/49/582995249.db2.gz FYQDVVKGKMQLEI-UHFFFAOYSA-N 0 0 199.253 2.548 10 30 AFEERN C1CCC2(CC1)CC(=NNC1CC1)C2 817325718 582995450 /nfs/dbraw/zinc/99/54/50/582995450.db2.gz FXOXMUACYPSWRU-UHFFFAOYSA-N 0 0 192.306 2.839 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 817730447 582997861 /nfs/dbraw/zinc/99/78/61/582997861.db2.gz KLVYYRLOVFNUAE-LNFKQOIKSA-N 0 0 194.274 2.540 10 30 AFEERN C=CCCC(=O)OC[C@H](C)C1CCC1 817752555 582997891 /nfs/dbraw/zinc/99/78/91/582997891.db2.gz HTWUDIGPWYJLTR-JTQLQIEISA-N 0 0 196.290 2.932 10 30 AFEERN C=CC(C)(C)COC(=O)[C@@H]1CC12CC2 817740881 582998183 /nfs/dbraw/zinc/99/81/83/582998183.db2.gz XNTSHOKRZHUMDW-VIFPVBQESA-N 0 0 194.274 2.542 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 817730451 582998282 /nfs/dbraw/zinc/99/82/82/582998282.db2.gz KLVYYRLOVFNUAE-MMWGEVLESA-N 0 0 194.274 2.540 10 30 AFEERN C=CC(C)(C)COC(=O)[C@H]1CC12CC2 817740880 582998356 /nfs/dbraw/zinc/99/83/56/582998356.db2.gz XNTSHOKRZHUMDW-SECBINFHSA-N 0 0 194.274 2.542 10 30 AFEERN C=CCCC(=O)OC[C@@H](C)C1CCC1 817752556 582998358 /nfs/dbraw/zinc/99/83/58/582998358.db2.gz HTWUDIGPWYJLTR-SNVBAGLBSA-N 0 0 196.290 2.932 10 30 AFEERN C#CCCCSC[C@@H](OC)C1CC1 818153412 583005143 /nfs/dbraw/zinc/00/51/43/583005143.db2.gz BRRLPSZFKSKKHK-LLVKDONJSA-N 0 0 198.331 2.558 10 30 AFEERN C#CCCCSC[C@H](OC)C1CC1 818153413 583005424 /nfs/dbraw/zinc/00/54/24/583005424.db2.gz BRRLPSZFKSKKHK-NSHDSACASA-N 0 0 198.331 2.558 10 30 AFEERN CS[C@H]1CCC1=NOCC(C)C 819808315 583015058 /nfs/dbraw/zinc/01/50/58/583015058.db2.gz BBAOYPHQZIJKBZ-VIFPVBQESA-N 0 0 187.308 2.540 10 30 AFEERN CS[C@@H]1CCC1=NOCC(C)C 819808313 583015292 /nfs/dbraw/zinc/01/52/92/583015292.db2.gz BBAOYPHQZIJKBZ-SECBINFHSA-N 0 0 187.308 2.540 10 30 AFEERN C=C(C)C(C)(C)C(=O)OCCCC 819952842 583015898 /nfs/dbraw/zinc/01/58/98/583015898.db2.gz HLOHOSVKSDNNSP-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C=C(C)C(C)(C)C(=O)O[C@@H](C)C1CC1 819960944 583016021 /nfs/dbraw/zinc/01/60/21/583016021.db2.gz KOVDKKVFURHILI-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN CS[C@H]1CCC1=NOC1CCCC1 819813253 583016174 /nfs/dbraw/zinc/01/61/74/583016174.db2.gz VDCSTVCBAXMDFD-JTQLQIEISA-N 0 0 199.319 2.827 10 30 AFEERN CS[C@@H]1CCC1=NOCCC1CC1 819812590 583016244 /nfs/dbraw/zinc/01/62/44/583016244.db2.gz DVFZZDKWFKKLKJ-SNVBAGLBSA-N 0 0 199.319 2.685 10 30 AFEERN C=C(C)COC(=O)C(F)=C1CCC1 819953172 583016436 /nfs/dbraw/zinc/01/64/36/583016436.db2.gz KYFJYYUDILQSGH-UHFFFAOYSA-N 0 0 184.210 2.513 10 30 AFEERN CS[C@H]1CCC1=NOCCC1CC1 819812589 583016496 /nfs/dbraw/zinc/01/64/96/583016496.db2.gz DVFZZDKWFKKLKJ-JTQLQIEISA-N 0 0 199.319 2.685 10 30 AFEERN CS[C@@H]1CCC1=NOC1CCCC1 819813254 583016516 /nfs/dbraw/zinc/01/65/16/583016516.db2.gz VDCSTVCBAXMDFD-SNVBAGLBSA-N 0 0 199.319 2.827 10 30 AFEERN C=C(C)C(C)(C)C(=O)OC/C=C\C 819955857 583016616 /nfs/dbraw/zinc/01/66/16/583016616.db2.gz DWLIEPUVFVSUIT-SREVYHEPSA-N 0 0 182.263 2.708 10 30 AFEERN C=C(C)C(C)(C)C(=O)OC[C@@H]1C[C@@H]1C 819964142 583016810 /nfs/dbraw/zinc/01/68/10/583016810.db2.gz QITSRPJWCAIKFH-UWVGGRQHSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)C(C)(C)C(=O)OC[C@H]1C[C@@H]1C 819964144 583017096 /nfs/dbraw/zinc/01/70/96/583017096.db2.gz QITSRPJWCAIKFH-VHSXEESVSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)C(C)(C)C(=O)OC[C@@H]1C[C@H]1C 819964145 583017199 /nfs/dbraw/zinc/01/71/99/583017199.db2.gz QITSRPJWCAIKFH-ZJUUUORDSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)C(C)(C)C(=O)OC[C@H]1C[C@H]1C 819964140 583017221 /nfs/dbraw/zinc/01/72/21/583017221.db2.gz QITSRPJWCAIKFH-NXEZZACHSA-N 0 0 196.290 2.788 10 30 AFEERN C=C(C)C(C)(C)C(=O)OC/C=C/C 819955858 583017287 /nfs/dbraw/zinc/01/72/87/583017287.db2.gz DWLIEPUVFVSUIT-VOTSOKGWSA-N 0 0 182.263 2.708 10 30 AFEERN C=CCCOC(=O)C(F)=C1CCC1 819953957 583017319 /nfs/dbraw/zinc/01/73/19/583017319.db2.gz IMPXOELEOGNDCI-UHFFFAOYSA-N 0 0 184.210 2.513 10 30 AFEERN C=CCCCOC(=O)C(F)=C1CCC1 820172937 583017632 /nfs/dbraw/zinc/01/76/32/583017632.db2.gz IKYOKGPOYOWHED-UHFFFAOYSA-N 0 0 198.237 2.903 10 30 AFEERN C=C(C)CCOC(=O)C(F)=C1CCC1 820150700 583018065 /nfs/dbraw/zinc/01/80/65/583018065.db2.gz SRTLFGKPSMIBFO-UHFFFAOYSA-N 0 0 198.237 2.903 10 30 AFEERN C=C(C)C(C)(C)C(=O)OCCC#CC 820563265 583022587 /nfs/dbraw/zinc/02/25/87/583022587.db2.gz CTNZLGQWNOGRMC-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN C=C[C@@H](CC)OC(=O)C(F)=C1CCC1 820504890 583022117 /nfs/dbraw/zinc/02/21/17/583022117.db2.gz IESKXAIAYSNZPD-VIFPVBQESA-N 0 0 198.237 2.902 10 30 AFEERN C=C[C@H](CC)OC(=O)C(F)=C1CCC1 820504889 583022342 /nfs/dbraw/zinc/02/23/42/583022342.db2.gz IESKXAIAYSNZPD-SECBINFHSA-N 0 0 198.237 2.902 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)C(F)=C1CCC1 820617445 583023063 /nfs/dbraw/zinc/02/30/63/583023063.db2.gz XVRDIRFIKLNSAG-MRVPVSSYSA-N 0 0 198.237 2.902 10 30 AFEERN C=C(C)[C@H](C)OC(=O)C(F)=C1CCC1 820617452 583023167 /nfs/dbraw/zinc/02/31/67/583023167.db2.gz XVRDIRFIKLNSAG-QMMMGPOBSA-N 0 0 198.237 2.902 10 30 AFEERN C=C[C@H](C)OC(=O)C(F)=C1CCC1 820704942 583023938 /nfs/dbraw/zinc/02/39/38/583023938.db2.gz KZVCCBMSCRFNLH-ZETCQYMHSA-N 0 0 184.210 2.512 10 30 AFEERN C=C[C@@H](C)OC(=O)C(F)=C1CCC1 820704940 583024464 /nfs/dbraw/zinc/02/44/64/583024464.db2.gz KZVCCBMSCRFNLH-SSDOTTSWSA-N 0 0 184.210 2.512 10 30 AFEERN C=C(C)C(C)(C)C(=O)OCC1(C)CC1 820910973 583026057 /nfs/dbraw/zinc/02/60/57/583026057.db2.gz QPEMYGZJGZYLOS-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=C(C)C(C)(C)C(=O)OC1CC(C)C1 821185763 583026727 /nfs/dbraw/zinc/02/67/27/583026727.db2.gz FUQMOGALYQTTJW-UHFFFAOYSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(CC)COC(=O)C(F)=C1CCC1 821302501 583027813 /nfs/dbraw/zinc/02/78/13/583027813.db2.gz HQGNHPLOLPFMOE-UHFFFAOYSA-N 0 0 198.237 2.903 10 30 AFEERN C#CCCCC(=O)O[C@@H]1CCC1(C)C 821832778 583032343 /nfs/dbraw/zinc/03/23/43/583032343.db2.gz IVRBINWECQFHCM-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C=CC(C)(C)C(=O)O[C@H]1CCC1(C)C 821828731 583031869 /nfs/dbraw/zinc/03/18/69/583031869.db2.gz NYYLIPWUWZCYBZ-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN C=CCCC(=O)O[C@H]1CCC12CCC2 821816465 583031896 /nfs/dbraw/zinc/03/18/96/583031896.db2.gz VUKLULAVTKWXRT-JTQLQIEISA-N 0 0 194.274 2.829 10 30 AFEERN C=CCCC(=O)O[C@@H]1CCC1(C)C 821837451 583032130 /nfs/dbraw/zinc/03/21/30/583032130.db2.gz QFOZTRXXNNUVON-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCC(=O)O[C@@H]1CCC12CCC2 821816467 583032147 /nfs/dbraw/zinc/03/21/47/583032147.db2.gz VUKLULAVTKWXRT-SNVBAGLBSA-N 0 0 194.274 2.829 10 30 AFEERN C=CC(C)(C)C(=O)O[C@@H]1CCC1(C)C 821828730 583032196 /nfs/dbraw/zinc/03/21/96/583032196.db2.gz NYYLIPWUWZCYBZ-SECBINFHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CCCC(=O)O[C@H]1CCC1(C)C 821837452 583032274 /nfs/dbraw/zinc/03/22/74/583032274.db2.gz QFOZTRXXNNUVON-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C#CCCCC(=O)O[C@H]1CCC1(C)C 821832777 583032347 /nfs/dbraw/zinc/03/23/47/583032347.db2.gz IVRBINWECQFHCM-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C=CCN(CC=C)C(=O)/C=C(/C)CC 822141742 583033985 /nfs/dbraw/zinc/03/39/85/583033985.db2.gz FOSWDYSZLSEBDT-KHPPLWFESA-N 0 0 193.290 2.543 10 30 AFEERN C=CCN(C(=O)/C=C(/C)CC)C(C)C 823096563 583038649 /nfs/dbraw/zinc/03/86/49/583038649.db2.gz HHOKJQSQSAGHOW-LUAWRHEFSA-N 0 0 195.306 2.766 10 30 AFEERN C=CCN(C(=O)/C=C(\C)CC)C(C)C 823096564 583038745 /nfs/dbraw/zinc/03/87/45/583038745.db2.gz HHOKJQSQSAGHOW-PKNBQFBNSA-N 0 0 195.306 2.766 10 30 AFEERN C=C[C@H](CC)CC(=O)N(C)C(C)(C)C 823658650 583042090 /nfs/dbraw/zinc/04/20/90/583042090.db2.gz BVXDZKGALYBFKE-SNVBAGLBSA-N 0 0 197.322 2.846 10 30 AFEERN C=C[C@@H](CC)CC(=O)N(C)C(C)(C)C 823658649 583042380 /nfs/dbraw/zinc/04/23/80/583042380.db2.gz BVXDZKGALYBFKE-JTQLQIEISA-N 0 0 197.322 2.846 10 30 AFEERN C=CCCC(=O)NCCCCC1CC1 825679967 583048835 /nfs/dbraw/zinc/04/88/35/583048835.db2.gz CQGIXCGSFYYLRO-UHFFFAOYSA-N 0 0 195.306 2.649 10 30 AFEERN C=C(C)CN(CC)C(=O)OC1CCC1 829656550 583063628 /nfs/dbraw/zinc/06/36/28/583063628.db2.gz DEKDUZNGWQRMKI-UHFFFAOYSA-N 0 0 197.278 2.574 10 30 AFEERN C#CCCCSC1CCC1 829741867 583063795 /nfs/dbraw/zinc/06/37/95/583063795.db2.gz DNSWRLLQETXZHL-UHFFFAOYSA-N 0 0 154.278 2.686 10 30 AFEERN C=CCCCN(C)C(=O)OC1CCC1 830569806 583068305 /nfs/dbraw/zinc/06/83/05/583068305.db2.gz VQTXETTUIJORQA-UHFFFAOYSA-N 0 0 197.278 2.574 10 30 AFEERN C=CCCN(C)C(=O)C(C)=C1CCC1 830754493 583069282 /nfs/dbraw/zinc/06/92/82/583069282.db2.gz FHHUJCVXNQDUAV-UHFFFAOYSA-N 0 0 193.290 2.521 10 30 AFEERN C=CCN(C)C(=O)O[C@H](C)CC(C)C 831153371 583071467 /nfs/dbraw/zinc/07/14/67/583071467.db2.gz FFIKZMHROCQPIO-SNVBAGLBSA-N 0 0 199.294 2.675 10 30 AFEERN C=CCN(C)C(=O)O[C@@H](C)CC(C)C 831153370 583071812 /nfs/dbraw/zinc/07/18/12/583071812.db2.gz FFIKZMHROCQPIO-JTQLQIEISA-N 0 0 199.294 2.675 10 30 AFEERN C=CC[C@@H](CC)NC(=O)/C=C(\C)CC 831728672 583075073 /nfs/dbraw/zinc/07/50/73/583075073.db2.gz HZDPIZKCDMCWAN-PBQZMEPESA-N 0 0 195.306 2.814 10 30 AFEERN C=CC[C@@H](CC)NC(=O)/C=C(/C)CC 831728670 583075438 /nfs/dbraw/zinc/07/54/38/583075438.db2.gz HZDPIZKCDMCWAN-DWOQACPDSA-N 0 0 195.306 2.814 10 30 AFEERN C=CC[C@H](CC)NC(=O)/C=C(\C)CC 831728673 583075519 /nfs/dbraw/zinc/07/55/19/583075519.db2.gz HZDPIZKCDMCWAN-USKTWTLRSA-N 0 0 195.306 2.814 10 30 AFEERN C=CC[C@H](CC)NC(=O)/C=C(/C)CC 831728671 583075684 /nfs/dbraw/zinc/07/56/84/583075684.db2.gz HZDPIZKCDMCWAN-JUDLJHIGSA-N 0 0 195.306 2.814 10 30 AFEERN C=CC(C)(C)CCCNC(=O)/C=C/C 832728806 583079572 /nfs/dbraw/zinc/07/95/72/583079572.db2.gz NXFABDJMQRLXLF-VMPITWQZSA-N 0 0 195.306 2.671 10 30 AFEERN C=CC(C)(C)CCCNC(=O)C1CC1 832728609 583079617 /nfs/dbraw/zinc/07/96/17/583079617.db2.gz IOGGFLVBLNIGTK-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CC(C)(C)CCCNC(=O)CCC 832729210 583079661 /nfs/dbraw/zinc/07/96/61/583079661.db2.gz WEEFWHZQHRHHJI-UHFFFAOYSA-N 0 0 197.322 2.895 10 30 AFEERN C=CC(C)(C)CCCNC(=O)/C=C\C 832728807 583080166 /nfs/dbraw/zinc/08/01/66/583080166.db2.gz NXFABDJMQRLXLF-YVMONPNESA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)CNN=C1C[C@@H](C)CC[C@H]1C 834979115 583090191 /nfs/dbraw/zinc/09/01/91/583090191.db2.gz GDTZZTXNAGUOCV-WDEREUQCSA-N 0 0 194.322 2.964 10 30 AFEERN CON=C1CCC(CSC)CC1 834938342 583088075 /nfs/dbraw/zinc/08/80/75/583088075.db2.gz IAUVRIQCVSIQSF-UHFFFAOYSA-N 0 0 187.308 2.542 10 30 AFEERN CON=C(C)[C@@H]1CCCC[C@@H]1C 834937897 583088121 /nfs/dbraw/zinc/08/81/21/583088121.db2.gz BBFYINOQMNTKFY-WCBMZHEXSA-N 0 0 169.268 2.835 10 30 AFEERN CCON=Cc1cccc(C)c1F 834936709 583088154 /nfs/dbraw/zinc/08/81/54/583088154.db2.gz BYPHHESBMSPAFW-UHFFFAOYSA-N 0 0 181.210 2.505 10 30 AFEERN CON=C(C)[C@H]1CCCC[C@@H]1C 834937899 583088163 /nfs/dbraw/zinc/08/81/63/583088163.db2.gz BBFYINOQMNTKFY-WPRPVWTQSA-N 0 0 169.268 2.835 10 30 AFEERN CCCCNN=C(C)Cc1ccoc1 834941114 583088192 /nfs/dbraw/zinc/08/81/92/583088192.db2.gz UQAZUWHOWHIRRY-UHFFFAOYSA-N 0 0 194.278 2.588 10 30 AFEERN CON=C[C@@H](C)c1cc(F)cc(F)c1 834938318 583088231 /nfs/dbraw/zinc/08/82/31/583088231.db2.gz HBDXOUXAKMWWAU-SSDOTTSWSA-N 0 0 199.200 2.701 10 30 AFEERN CON=C1CC[C@H](C)c2ccsc21 834938882 583088233 /nfs/dbraw/zinc/08/82/33/583088233.db2.gz SGMSPVUGFICWHP-ZETCQYMHSA-N 0 0 195.287 2.996 10 30 AFEERN CCCCNN=Cc1csc(C)c1 834940520 583088264 /nfs/dbraw/zinc/08/82/64/583088264.db2.gz NYUNVBALTHADCE-UHFFFAOYSA-N 0 0 196.319 2.780 10 30 AFEERN CON=C1CC[C@@H](C)c2ccsc21 834938880 583088266 /nfs/dbraw/zinc/08/82/66/583088266.db2.gz SGMSPVUGFICWHP-SSDOTTSWSA-N 0 0 195.287 2.996 10 30 AFEERN CON=C(C)[C@@H]1CCCC[C@H]1C 834937892 583088327 /nfs/dbraw/zinc/08/83/27/583088327.db2.gz BBFYINOQMNTKFY-PSASIEDQSA-N 0 0 169.268 2.835 10 30 AFEERN CON=C[C@H](C)c1cc(F)cc(F)c1 834938319 583088344 /nfs/dbraw/zinc/08/83/44/583088344.db2.gz HBDXOUXAKMWWAU-ZETCQYMHSA-N 0 0 199.200 2.701 10 30 AFEERN CCON=C(C)c1csc(C)c1 834936627 583088359 /nfs/dbraw/zinc/08/83/59/583088359.db2.gz AXRAFTXEYJRURH-UHFFFAOYSA-N 0 0 183.276 2.817 10 30 AFEERN C=CCCCCC(C)=NOC 834938332 583088398 /nfs/dbraw/zinc/08/83/98/583088398.db2.gz HYHJUCLPJUKFRN-UHFFFAOYSA-N 0 0 155.241 2.755 10 30 AFEERN CON=C(C)[C@H]1CCCC[C@H]1C 834937894 583088434 /nfs/dbraw/zinc/08/84/34/583088434.db2.gz BBFYINOQMNTKFY-SCZZXKLOSA-N 0 0 169.268 2.835 10 30 AFEERN CCON=C(CC)c1ccsc1 834936855 583088524 /nfs/dbraw/zinc/08/85/24/583088524.db2.gz FELBNSLPIGKVIC-UHFFFAOYSA-N 0 0 183.276 2.899 10 30 AFEERN CON=C1CCCc2ccccc2C1 834939077 583088525 /nfs/dbraw/zinc/08/85/25/583088525.db2.gz ZCCULNWLMDNYAE-UHFFFAOYSA-N 0 0 189.258 2.568 10 30 AFEERN CCn1cccc1C=NOCC(C)C 834965447 583088641 /nfs/dbraw/zinc/08/86/41/583088641.db2.gz ARHZQGGDBMYUEP-UHFFFAOYSA-N 0 0 194.278 2.515 10 30 AFEERN CC[C@H](C)NN=Cc1csc(C)c1 834973503 583088694 /nfs/dbraw/zinc/08/86/94/583088694.db2.gz OIQJZSSVPBMVOZ-QMMMGPOBSA-N 0 0 196.319 2.779 10 30 AFEERN CC(CC(C)(C)C)=NN[C@H](C)CC#N 834965689 583088735 /nfs/dbraw/zinc/08/87/35/583088735.db2.gz TZTKRFGNMUHRQX-SECBINFHSA-N 0 0 195.310 2.690 10 30 AFEERN CC(CC(C)(C)C)=NN[C@@H](C)CC#N 834965694 583089045 /nfs/dbraw/zinc/08/90/45/583089045.db2.gz TZTKRFGNMUHRQX-VIFPVBQESA-N 0 0 195.310 2.690 10 30 AFEERN CC(Cc1ccoc1)=NOCC(C)C 834965687 583089018 /nfs/dbraw/zinc/08/90/18/583089018.db2.gz GUTFXPRDXJEDMO-UHFFFAOYSA-N 0 0 195.262 2.871 10 30 AFEERN CCC(=NOCC(F)F)C1CCC1 834968270 583089227 /nfs/dbraw/zinc/08/92/27/583089227.db2.gz GSAMTKCLRRBBLO-UHFFFAOYSA-N 0 0 191.221 2.834 10 30 AFEERN CC[C@H](C)NN=C(C)Cc1ccoc1 834972836 583089268 /nfs/dbraw/zinc/08/92/68/583089268.db2.gz KKKULWPECOSJJT-VIFPVBQESA-N 0 0 194.278 2.586 10 30 AFEERN CC[C@@H](C)NN=C(C)Cc1ccoc1 834972835 583089285 /nfs/dbraw/zinc/08/92/85/583089285.db2.gz KKKULWPECOSJJT-SECBINFHSA-N 0 0 194.278 2.586 10 30 AFEERN FC1(F)C[C@H]1C=NOC1CCCC1 834969094 583089379 /nfs/dbraw/zinc/08/93/79/583089379.db2.gz SBYBOLVZNIPDGE-ZETCQYMHSA-N 0 0 189.205 2.587 10 30 AFEERN CC[C@@H](C)NN=Cc1csc(C)c1 834973502 583089495 /nfs/dbraw/zinc/08/94/95/583089495.db2.gz OIQJZSSVPBMVOZ-MRVPVSSYSA-N 0 0 196.319 2.779 10 30 AFEERN FC1(F)C[C@@H]1C=NOC1CCCC1 834969093 583089667 /nfs/dbraw/zinc/08/96/67/583089667.db2.gz SBYBOLVZNIPDGE-SSDOTTSWSA-N 0 0 189.205 2.587 10 30 AFEERN Cc1cc(C=NNCC(C)C)cs1 834968675 583089719 /nfs/dbraw/zinc/08/97/19/583089719.db2.gz NYMSCSVPTMVUFV-UHFFFAOYSA-N 0 0 196.319 2.636 10 30 AFEERN C=C(C)CNN=C1C[C@H](C)CC[C@@H]1C 834979111 583089960 /nfs/dbraw/zinc/08/99/60/583089960.db2.gz GDTZZTXNAGUOCV-MNOVXSKESA-N 0 0 194.322 2.964 10 30 AFEERN Cc1cc(C=NOCC2CC2)cs1 834982096 583089977 /nfs/dbraw/zinc/08/99/77/583089977.db2.gz NGSQSVRAHKVXJC-UHFFFAOYSA-N 0 0 195.287 2.817 10 30 AFEERN CC[C@H](C)[C@@H](C=NOC1CCC1)OC 834978101 583090010 /nfs/dbraw/zinc/09/00/10/583090010.db2.gz BLGGZSILFICTGI-GXSJLCMTSA-N 0 0 199.294 2.602 10 30 AFEERN C=C(C)CNN=C1CCCC12CCC2 834981085 583090030 /nfs/dbraw/zinc/09/00/30/583090030.db2.gz XKQYJUDCEMDBLL-UHFFFAOYSA-N 0 0 192.306 2.862 10 30 AFEERN CCC(=NOCCCOC)C1CCC1 834979147 583090034 /nfs/dbraw/zinc/09/00/34/583090034.db2.gz FNBSLMDPRIHZSG-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN C#CCON=C(C)[C@H]1CCCC[C@@H]1C 834978510 583090042 /nfs/dbraw/zinc/09/00/42/583090042.db2.gz HPIUIZRBCZSXOM-JQWIXIFHSA-N 0 0 193.290 2.838 10 30 AFEERN Cc1cc(C=NOC2CCC2)cs1 834979316 583090070 /nfs/dbraw/zinc/09/00/70/583090070.db2.gz MWCMJRSTTRUHGW-UHFFFAOYSA-N 0 0 195.287 2.960 10 30 AFEERN CC[C@@H](C)[C@@H](C=NOC1CCC1)OC 834978109 583090085 /nfs/dbraw/zinc/09/00/85/583090085.db2.gz BLGGZSILFICTGI-MWLCHTKSSA-N 0 0 199.294 2.602 10 30 AFEERN CC[C@@H](C)CON=C[C@@H]1CC1(F)F 834980840 583090102 /nfs/dbraw/zinc/09/01/02/583090102.db2.gz DIUVECOFEZNKBF-SFYZADRCSA-N 0 0 191.221 2.690 10 30 AFEERN C#CCON=C(C)[C@H]1CCCC[C@H]1C 834978511 583090124 /nfs/dbraw/zinc/09/01/24/583090124.db2.gz HPIUIZRBCZSXOM-PWSUYJOCSA-N 0 0 193.290 2.838 10 30 AFEERN CC[C@@H](C)CON=C[C@H]1CC1(F)F 834980838 583090184 /nfs/dbraw/zinc/09/01/84/583090184.db2.gz DIUVECOFEZNKBF-HTQZYQBOSA-N 0 0 191.221 2.690 10 30 AFEERN CC[C@@H](C)[C@H](C=NOC1CCC1)OC 834978103 583090193 /nfs/dbraw/zinc/09/01/93/583090193.db2.gz BLGGZSILFICTGI-KOLCDFICSA-N 0 0 199.294 2.602 10 30 AFEERN C=C(C)CNN=C(C)CC(C)(C)C 834980038 583090200 /nfs/dbraw/zinc/09/02/00/583090200.db2.gz NRTFUNGIVWKTAV-UHFFFAOYSA-N 0 0 182.311 2.964 10 30 AFEERN CC[C@H](C)CON=C[C@H]1CC1(F)F 834980839 583090206 /nfs/dbraw/zinc/09/02/06/583090206.db2.gz DIUVECOFEZNKBF-JGVFFNPUSA-N 0 0 191.221 2.690 10 30 AFEERN C=C(C)CNN=C1C[C@@H](C)CC[C@@H]1C 834979113 583090239 /nfs/dbraw/zinc/09/02/39/583090239.db2.gz GDTZZTXNAGUOCV-QWRGUYRKSA-N 0 0 194.322 2.964 10 30 AFEERN CC(Cc1ccoc1)=NOCC1CC1 834982286 583090259 /nfs/dbraw/zinc/09/02/59/583090259.db2.gz UZCMWXAGDDLROT-UHFFFAOYSA-N 0 0 193.246 2.625 10 30 AFEERN CC[C@H](C)CON=C[C@@H]1CC1(F)F 834980841 583090264 /nfs/dbraw/zinc/09/02/64/583090264.db2.gz DIUVECOFEZNKBF-YUMQZZPRSA-N 0 0 191.221 2.690 10 30 AFEERN C=C(C)CNN=C1C[C@H](C)CC[C@H]1C 834979109 583090268 /nfs/dbraw/zinc/09/02/68/583090268.db2.gz GDTZZTXNAGUOCV-GHMZBOCLSA-N 0 0 194.322 2.964 10 30 AFEERN C#CCON=C(C)[C@@H]1CCCC[C@H]1C 834978512 583090341 /nfs/dbraw/zinc/09/03/41/583090341.db2.gz HPIUIZRBCZSXOM-ZYHUDNBSSA-N 0 0 193.290 2.838 10 30 AFEERN C#CCCCCCC=NOCC1CC1 834981828 583090360 /nfs/dbraw/zinc/09/03/60/583090360.db2.gz BOZRWZJCUYEXAX-UHFFFAOYSA-N 0 0 193.290 2.983 10 30 AFEERN C#CCON=C(C)[C@@H]1CCCC[C@@H]1C 834978506 583090368 /nfs/dbraw/zinc/09/03/68/583090368.db2.gz HPIUIZRBCZSXOM-CMPLNLGQSA-N 0 0 193.290 2.838 10 30 AFEERN CC[C@H](C)[C@H](C=NOC1CCC1)OC 834978111 583090393 /nfs/dbraw/zinc/09/03/93/583090393.db2.gz BLGGZSILFICTGI-ONGXEEELSA-N 0 0 199.294 2.602 10 30 AFEERN C=C(C)CNN=Cc1csc(C)c1 834978751 583090409 /nfs/dbraw/zinc/09/04/09/583090409.db2.gz CHIKJQQQECXSFK-UHFFFAOYSA-N 0 0 194.303 2.556 10 30 AFEERN CC(C)ON=C1CC2(CCC2)C1 834999805 583090664 /nfs/dbraw/zinc/09/06/64/583090664.db2.gz GKYJUMPZPIDBFP-UHFFFAOYSA-N 0 0 167.252 2.732 10 30 AFEERN CC(C)ON=C1CC[C@H]1C(C)C 835000050 583090676 /nfs/dbraw/zinc/09/06/76/583090676.db2.gz ILMYALIYVCCLDC-VIFPVBQESA-N 0 0 169.268 2.833 10 30 AFEERN CCC[C@@H](C)C=NOC(C)C 835001137 583090695 /nfs/dbraw/zinc/09/06/95/583090695.db2.gz UXJAGTQKCLRUGY-SECBINFHSA-N 0 0 157.257 2.833 10 30 AFEERN CC(C)ON=CCc1ccc(F)cc1 834999350 583090709 /nfs/dbraw/zinc/09/07/09/583090709.db2.gz APVFEJXLQZKELO-UHFFFAOYSA-N 0 0 195.237 2.779 10 30 AFEERN CC(=NOC(C)C)[C@@H]1CC1(C)C 835000024 583090727 /nfs/dbraw/zinc/09/07/27/583090727.db2.gz HJRJGALZDLWEPX-VIFPVBQESA-N 0 0 169.268 2.833 10 30 AFEERN CC(C)ON=C1CCC[C@@H]2C[C@]12C 835001641 583090803 /nfs/dbraw/zinc/09/08/03/583090803.db2.gz IEULQVOKJRIEGE-KOLCDFICSA-N 0 0 181.279 2.978 10 30 AFEERN CC(C)ON=C1CC(C(C)C)C1 835000006 583090838 /nfs/dbraw/zinc/09/08/38/583090838.db2.gz GXDYUGVOSGUDEG-UHFFFAOYSA-N 0 0 169.268 2.833 10 30 AFEERN C#CCCCCCC=NOC(C)C 834999717 583090842 /nfs/dbraw/zinc/09/08/42/583090842.db2.gz DUTDIAIWMCGLPT-UHFFFAOYSA-N 0 0 181.279 2.981 10 30 AFEERN CC[C@H](C)CC=NOC(C)C 834999630 583090937 /nfs/dbraw/zinc/09/09/37/583090937.db2.gz CXLIGLFYRMWJEX-VIFPVBQESA-N 0 0 157.257 2.833 10 30 AFEERN CC(=NOC(C)C)[C@H]1CC1(C)C 835000023 583090999 /nfs/dbraw/zinc/09/09/99/583090999.db2.gz HJRJGALZDLWEPX-SECBINFHSA-N 0 0 169.268 2.833 10 30 AFEERN Cc1ccc(CC=NOC(C)C)cc1 834999940 583091087 /nfs/dbraw/zinc/09/10/87/583091087.db2.gz FZDHRFFOHYLNDV-UHFFFAOYSA-N 0 0 191.274 2.948 10 30 AFEERN CC[C@@H](C)CC=NOC(C)C 834999629 583091063 /nfs/dbraw/zinc/09/10/63/583091063.db2.gz CXLIGLFYRMWJEX-SECBINFHSA-N 0 0 157.257 2.833 10 30 AFEERN CCC[C@H](C)C=NOC(C)C 835001140 583091066 /nfs/dbraw/zinc/09/10/66/583091066.db2.gz UXJAGTQKCLRUGY-VIFPVBQESA-N 0 0 157.257 2.833 10 30 AFEERN CC(C)ON=C1CC[C@@H]1C(C)C 835000049 583091071 /nfs/dbraw/zinc/09/10/71/583091071.db2.gz ILMYALIYVCCLDC-SECBINFHSA-N 0 0 169.268 2.833 10 30 AFEERN CC(C)ON=C1CCO[C@@H](C(C)C)C1 835001628 583091292 /nfs/dbraw/zinc/09/12/92/583091292.db2.gz ICRJBOBQLWFGIT-LLVKDONJSA-N 0 0 199.294 2.602 10 30 AFEERN COCC[C@@H]1CCCC1=NOC(C)C 835001635 583091349 /nfs/dbraw/zinc/09/13/49/583091349.db2.gz IEQRIGXAOIMSIW-JTQLQIEISA-N 0 0 199.294 2.604 10 30 AFEERN CSC1(C=NOC(C)C)CCC1 835001597 583091370 /nfs/dbraw/zinc/09/13/70/583091370.db2.gz HQFGKBGWUPJGDM-UHFFFAOYSA-N 0 0 187.308 2.683 10 30 AFEERN CC(C)ON=CC1(C)CCC1 835001606 583091401 /nfs/dbraw/zinc/09/14/01/583091401.db2.gz HWHLIRLBYQKVFR-UHFFFAOYSA-N 0 0 155.241 2.587 10 30 AFEERN CC(C)ON=C1CCC[C@H]2C[C@@]12C 835001639 583091516 /nfs/dbraw/zinc/09/15/16/583091516.db2.gz IEULQVOKJRIEGE-GXSJLCMTSA-N 0 0 181.279 2.978 10 30 AFEERN CC(C)ON=C1CCC[C@H]2C[C@@H]12 835001574 583091566 /nfs/dbraw/zinc/09/15/66/583091566.db2.gz HIRLRGFOZUCVCT-DTWKUNHWSA-N 0 0 167.252 2.587 10 30 AFEERN COCC[C@H]1CCCC1=NOC(C)C 835001637 583091590 /nfs/dbraw/zinc/09/15/90/583091590.db2.gz IEQRIGXAOIMSIW-SNVBAGLBSA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)ON=C1CCO[C@H](C(C)C)C1 835001630 583091595 /nfs/dbraw/zinc/09/15/95/583091595.db2.gz ICRJBOBQLWFGIT-NSHDSACASA-N 0 0 199.294 2.602 10 30 AFEERN COC1(CC(C)=NOC(C)C)CCC1 835002505 583091647 /nfs/dbraw/zinc/09/16/47/583091647.db2.gz OYGGBKBPFAKZAV-UHFFFAOYSA-N 0 0 199.294 2.747 10 30 AFEERN CC(C)ON=C(C(C)C)C1CC1 835004011 583092115 /nfs/dbraw/zinc/09/21/15/583092115.db2.gz FBFBPJRQOLJRFN-UHFFFAOYSA-N 0 0 169.268 2.833 10 30 AFEERN CC[C@H]1C[C@@H](C=NOC(C)C)CCO1 835003712 583091875 /nfs/dbraw/zinc/09/18/75/583091875.db2.gz ZBCZKPJAHMQRES-QWRGUYRKSA-N 0 0 199.294 2.602 10 30 AFEERN CC[C@H](C)C(C)=NOC(C)C 835003765 583091963 /nfs/dbraw/zinc/09/19/63/583091963.db2.gz BMJWHZSSODWUMG-QMMMGPOBSA-N 0 0 157.257 2.833 10 30 AFEERN CC[C@@H](C)C(C)=NOC(C)C 835003764 583092002 /nfs/dbraw/zinc/09/20/02/583092002.db2.gz BMJWHZSSODWUMG-MRVPVSSYSA-N 0 0 157.257 2.833 10 30 AFEERN CCC(CC)=NOC(C)C 835003875 583092065 /nfs/dbraw/zinc/09/20/65/583092065.db2.gz GCUUUSNUSKGYNM-UHFFFAOYSA-N 0 0 143.230 2.587 10 30 AFEERN CC[C@@H]1C[C@@H](C=NOC(C)C)CCO1 835003713 583092123 /nfs/dbraw/zinc/09/21/23/583092123.db2.gz ZBCZKPJAHMQRES-WDEREUQCSA-N 0 0 199.294 2.602 10 30 AFEERN CC[C@H]1C[C@H](C=NOC(C)C)CCO1 835003711 583092249 /nfs/dbraw/zinc/09/22/49/583092249.db2.gz ZBCZKPJAHMQRES-MNOVXSKESA-N 0 0 199.294 2.602 10 30 AFEERN CC[C@@H]1C[C@H](C=NOC(C)C)CCO1 835003710 583092344 /nfs/dbraw/zinc/09/23/44/583092344.db2.gz ZBCZKPJAHMQRES-GHMZBOCLSA-N 0 0 199.294 2.602 10 30 AFEERN CC(C)ON=Cc1c(F)cccc1F 835003945 583092346 /nfs/dbraw/zinc/09/23/46/583092346.db2.gz HHQZAEXQVNZXQV-UHFFFAOYSA-N 0 0 199.200 2.724 10 30 AFEERN CC(=NOC(C)C)c1ccccc1 835003792 583092350 /nfs/dbraw/zinc/09/23/50/583092350.db2.gz CQKQQFIPDNTPKJ-UHFFFAOYSA-N 0 0 177.247 2.836 10 30 AFEERN CC(=NOC(C)C)c1scnc1C 835003850 583092359 /nfs/dbraw/zinc/09/23/59/583092359.db2.gz ALHDELCIOYOJSE-UHFFFAOYSA-N 0 0 198.291 2.601 10 30 AFEERN Cc1cc(F)ccc1C=NOC(C)C 835004071 583092374 /nfs/dbraw/zinc/09/23/74/583092374.db2.gz GFWRUIFAGUSPNT-UHFFFAOYSA-N 0 0 195.237 2.893 10 30 AFEERN C#CCNN=C(C)C1CCCCCC1 835008445 583092625 /nfs/dbraw/zinc/09/26/25/583092625.db2.gz GRWOBWGIJTYREO-UHFFFAOYSA-N 0 0 192.306 2.556 10 30 AFEERN C=CCON=C[C@@H](C)CCC 835013045 583093172 /nfs/dbraw/zinc/09/31/72/583093172.db2.gz FPODGYCEMYMEDH-VIFPVBQESA-N 0 0 155.241 2.611 10 30 AFEERN C=CCON=C1CCC[C@@H]2C[C@]12C 835012988 583093273 /nfs/dbraw/zinc/09/32/73/583093273.db2.gz CTBLPYLYARGJHO-KOLCDFICSA-N 0 0 179.263 2.755 10 30 AFEERN C=CCON=CC(CC)CC 835011118 583093299 /nfs/dbraw/zinc/09/32/99/583093299.db2.gz FPJCMOMRLOOTCQ-UHFFFAOYSA-N 0 0 155.241 2.611 10 30 AFEERN C=CCON=CCC(C)(C)C 835013073 583093335 /nfs/dbraw/zinc/09/33/35/583093335.db2.gz GRBOCLFOXJFENT-UHFFFAOYSA-N 0 0 155.241 2.611 10 30 AFEERN C=CCON=C(CC)C(C)C 835010824 583093344 /nfs/dbraw/zinc/09/33/44/583093344.db2.gz BFVRVGAECBGSHD-UHFFFAOYSA-N 0 0 155.241 2.611 10 30 AFEERN C=CCON=C1CCCC[C@H]1C 835010846 583093425 /nfs/dbraw/zinc/09/34/25/583093425.db2.gz BOKPDKNOLYHFEX-SECBINFHSA-N 0 0 167.252 2.755 10 30 AFEERN C=CCON=C(C)c1ccc(C)cc1 835010954 583093430 /nfs/dbraw/zinc/09/34/30/583093430.db2.gz COUCOHUOBUGJNJ-UHFFFAOYSA-N 0 0 189.258 2.922 10 30 AFEERN C=CCON=C1CCC[C@H]1CCF 835013038 583093214 /nfs/dbraw/zinc/09/32/14/583093214.db2.gz FKJQWOBIRMOAOW-VIFPVBQESA-N 0 0 185.242 2.705 10 30 AFEERN C=CCON=C(C)[C@@H](C)CC 835011228 583093217 /nfs/dbraw/zinc/09/32/17/583093217.db2.gz HRKXXGSINMARQS-QMMMGPOBSA-N 0 0 155.241 2.611 10 30 AFEERN C=CCON=C1CCC[C@@H]1CCF 835013037 583093496 /nfs/dbraw/zinc/09/34/96/583093496.db2.gz FKJQWOBIRMOAOW-SECBINFHSA-N 0 0 185.242 2.705 10 30 AFEERN C=CCON=C(C)CCC(F)(F)F 835013035 583093559 /nfs/dbraw/zinc/09/35/59/583093559.db2.gz FDJAKZBAWPHAIR-UHFFFAOYSA-N 0 0 195.184 2.907 10 30 AFEERN C=CCON=C(C)[C@H](C)CC 835011226 583093570 /nfs/dbraw/zinc/09/35/70/583093570.db2.gz HRKXXGSINMARQS-MRVPVSSYSA-N 0 0 155.241 2.611 10 30 AFEERN C=CCON=C[C@@H]1CC=CCC1 835011138 583093599 /nfs/dbraw/zinc/09/35/99/583093599.db2.gz FZWUMVYITCYOEH-SNVBAGLBSA-N 0 0 165.236 2.531 10 30 AFEERN C=CCON=C[C@H]1CC=CCC1 835011135 583093645 /nfs/dbraw/zinc/09/36/45/583093645.db2.gz FZWUMVYITCYOEH-JTQLQIEISA-N 0 0 165.236 2.531 10 30 AFEERN C=CCON=C1CCC[C@H]2C[C@@]12C 835012987 583093652 /nfs/dbraw/zinc/09/36/52/583093652.db2.gz CTBLPYLYARGJHO-GXSJLCMTSA-N 0 0 179.263 2.755 10 30 AFEERN C=CCON=C1CCCC[C@@H]1C 835010847 583093657 /nfs/dbraw/zinc/09/36/57/583093657.db2.gz BOKPDKNOLYHFEX-VIFPVBQESA-N 0 0 167.252 2.755 10 30 AFEERN C=CCON=C1CC2(CCC2)C1 835013090 583093668 /nfs/dbraw/zinc/09/36/68/583093668.db2.gz HICPJNFLZAMQPW-UHFFFAOYSA-N 0 0 165.236 2.509 10 30 AFEERN C=CCON=C[C@H](C)CCC 835013044 583093767 /nfs/dbraw/zinc/09/37/67/583093767.db2.gz FPODGYCEMYMEDH-SECBINFHSA-N 0 0 155.241 2.611 10 30 AFEERN C=CCON=C(C)c1cc(C)oc1C 835014924 583093975 /nfs/dbraw/zinc/09/39/75/583093975.db2.gz CTYZQQCJPXKWJK-UHFFFAOYSA-N 0 0 193.246 2.823 10 30 AFEERN C=CCON=CCCC(C)C 835014290 583094020 /nfs/dbraw/zinc/09/40/20/583094020.db2.gz DYZXETXWCMGFFL-UHFFFAOYSA-N 0 0 155.241 2.611 10 30 AFEERN C=CCON=C(C)c1cccc(C)c1 835015273 583094100 /nfs/dbraw/zinc/09/41/00/583094100.db2.gz GWRLACPLWVOJLZ-UHFFFAOYSA-N 0 0 189.258 2.922 10 30 AFEERN C=CCON=C1CCC(C)(C#N)CC1 835014308 583094183 /nfs/dbraw/zinc/09/41/83/583094183.db2.gz FRVLYSRJYFFMNU-UHFFFAOYSA-N 0 0 192.262 2.649 10 30 AFEERN C=CCON=C(C(C)C)C1CC1 835015050 583094213 /nfs/dbraw/zinc/09/42/13/583094213.db2.gz DUNYATLITLBFJK-UHFFFAOYSA-N 0 0 167.252 2.611 10 30 AFEERN C=CCON=C(C)[C@@H]1CC1(C)C 835016353 583094236 /nfs/dbraw/zinc/09/42/36/583094236.db2.gz YJXSJZKDJGIMJP-VIFPVBQESA-N 0 0 167.252 2.611 10 30 AFEERN C=CCON=C(C)C1CCCC1 835015052 583094255 /nfs/dbraw/zinc/09/42/55/583094255.db2.gz DUSKSELPOVTYOZ-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN C=CCON=C(C)[C@H]1CC1(C)C 835016352 583094291 /nfs/dbraw/zinc/09/42/91/583094291.db2.gz YJXSJZKDJGIMJP-SECBINFHSA-N 0 0 167.252 2.611 10 30 AFEERN C=CCON=C(C)CC(F)(F)F 835015158 583094342 /nfs/dbraw/zinc/09/43/42/583094342.db2.gz PSKCNOFYBJDEOO-UHFFFAOYSA-N 0 0 181.157 2.517 10 30 AFEERN C=CCON=C(C)Cc1ccsc1 835014921 583094412 /nfs/dbraw/zinc/09/44/12/583094412.db2.gz CPYIOMAFQNCYEJ-UHFFFAOYSA-N 0 0 195.287 2.869 10 30 AFEERN C=CCOC(=O)C1(C2CCC2)CCC1 835079564 583094543 /nfs/dbraw/zinc/09/45/43/583094543.db2.gz DLOVGMARCOMUJU-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCOC(=O)[C@H]1CCC[C@@H]1CC 835080845 583094597 /nfs/dbraw/zinc/09/45/97/583094597.db2.gz COFHQVFJDWXXOH-UWVGGRQHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCOC(=O)C(C)(C)C1CCC1 835079698 583094619 /nfs/dbraw/zinc/09/46/19/583094619.db2.gz HQZPXUBSEDOAOK-UHFFFAOYSA-N 0 0 182.263 2.542 10 30 AFEERN C=C(C)COC(=O)CCCC(C)C 835079082 583094796 /nfs/dbraw/zinc/09/47/96/583094796.db2.gz WSTVRIHPADZJML-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C=CCOC(=O)[C@@H]1CCC[C@@H]1CC 835080846 583094874 /nfs/dbraw/zinc/09/48/74/583094874.db2.gz COFHQVFJDWXXOH-VHSXEESVSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCOC(=O)CCCC(C)C 835081680 583094890 /nfs/dbraw/zinc/09/48/90/583094890.db2.gz KALKYLHWGALTIR-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=CCOC(=O)[C@@H]1CCC[C@H]1CC 835080843 583094998 /nfs/dbraw/zinc/09/49/98/583094998.db2.gz COFHQVFJDWXXOH-NXEZZACHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CCOC(=O)[C@H]1CCC[C@H]1CC 835080847 583095004 /nfs/dbraw/zinc/09/50/04/583095004.db2.gz COFHQVFJDWXXOH-ZJUUUORDSA-N 0 0 182.263 2.542 10 30 AFEERN C=C(C)COC(=O)c1ccsc1C 835078125 583095111 /nfs/dbraw/zinc/09/51/11/583095111.db2.gz CTLTVJDPEAZJQL-UHFFFAOYSA-N 0 0 196.271 2.789 10 30 AFEERN C=CC(C)(C)C(=O)OCc1ccoc1 835091768 583095454 /nfs/dbraw/zinc/09/54/54/583095454.db2.gz RUOUVAXIUZPGBV-UHFFFAOYSA-N 0 0 194.230 2.535 10 30 AFEERN C=CCCOC(=O)CCCC(C)C 835091221 583095508 /nfs/dbraw/zinc/09/55/08/583095508.db2.gz OEDPVOVUNIPXFE-UHFFFAOYSA-N 0 0 184.279 2.932 10 30 AFEERN C#CCCOC(=O)[C@@H](CC)CC(C)C 835089583 583095523 /nfs/dbraw/zinc/09/55/23/583095523.db2.gz HJFBVEACDKOGTO-NSHDSACASA-N 0 0 196.290 2.625 10 30 AFEERN C=CCCOC(=O)[C@@H]1C[C@H]1CC(C)C 835090296 583095524 /nfs/dbraw/zinc/09/55/24/583095524.db2.gz GBPPUPKGCQBFAF-GHMZBOCLSA-N 0 0 196.290 2.788 10 30 AFEERN C#CCCCOC(=O)CCCC(C)C 835087148 583095533 /nfs/dbraw/zinc/09/55/33/583095533.db2.gz HWBVOTOOGHUEDL-UHFFFAOYSA-N 0 0 196.290 2.769 10 30 AFEERN C=CCCOC(=O)C1=CC[C@@H](C)CC1 835089579 583095537 /nfs/dbraw/zinc/09/55/37/583095537.db2.gz HDKQQXALRPAPJN-SNVBAGLBSA-N 0 0 194.274 2.852 10 30 AFEERN C=CCCOC(=O)C1=CC[C@H](C)CC1 835089578 583095613 /nfs/dbraw/zinc/09/56/13/583095613.db2.gz HDKQQXALRPAPJN-JTQLQIEISA-N 0 0 194.274 2.852 10 30 AFEERN C#CCCOC(=O)[C@H](CC)CC(C)C 835089582 583095682 /nfs/dbraw/zinc/09/56/82/583095682.db2.gz HJFBVEACDKOGTO-LLVKDONJSA-N 0 0 196.290 2.625 10 30 AFEERN C=CCCOC(=O)c1cc(C)cs1 835090438 583095706 /nfs/dbraw/zinc/09/57/06/583095706.db2.gz GRRRJOBQDSVGMP-UHFFFAOYSA-N 0 0 196.271 2.789 10 30 AFEERN C=CC(C)(C)C(=O)O[C@@H](C)C1CC1 835102887 583096046 /nfs/dbraw/zinc/09/60/46/583096046.db2.gz HFFYHGUDZHAZHI-QMMMGPOBSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC(C)(C)C(=O)O[C@H](C)C1CC1 835102886 583096089 /nfs/dbraw/zinc/09/60/89/583096089.db2.gz HFFYHGUDZHAZHI-MRVPVSSYSA-N 0 0 182.263 2.540 10 30 AFEERN CC/C(C)=C/C(=O)OCCCCC#N 835159285 583096613 /nfs/dbraw/zinc/09/66/13/583096613.db2.gz FAAZFGNLQDXNRF-MDZDMXLPSA-N 0 0 195.262 2.580 10 30 AFEERN C#C[C@H](C)OC(=O)[C@H](CC)CC(C)C 835176772 583096733 /nfs/dbraw/zinc/09/67/33/583096733.db2.gz AOOSNAVEGIRLSC-WDEREUQCSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@H](CC)CC(C)C 835176769 583096769 /nfs/dbraw/zinc/09/67/69/583096769.db2.gz AOOSNAVEGIRLSC-GHMZBOCLSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@H](C)OC(=O)[C@@H](CC)CC(C)C 835176771 583096779 /nfs/dbraw/zinc/09/67/79/583096779.db2.gz AOOSNAVEGIRLSC-QWRGUYRKSA-N 0 0 196.290 2.624 10 30 AFEERN C#C[C@@H](C)OC(=O)[C@@H](CC)CC(C)C 835176770 583096839 /nfs/dbraw/zinc/09/68/39/583096839.db2.gz AOOSNAVEGIRLSC-MNOVXSKESA-N 0 0 196.290 2.624 10 30 AFEERN CC/C(C)=C\C(=O)OCCCCC#N 835159284 583096908 /nfs/dbraw/zinc/09/69/08/583096908.db2.gz FAAZFGNLQDXNRF-KTKRTIGZSA-N 0 0 195.262 2.580 10 30 AFEERN CC[C@H](C#N)OC(=O)CCCC(C)C 835211626 583097122 /nfs/dbraw/zinc/09/71/22/583097122.db2.gz KEZXHTYVMXVPBD-SNVBAGLBSA-N 0 0 197.278 2.658 10 30 AFEERN C=CC(C)(C)C(=O)OCCC(=C)C 835190434 583097132 /nfs/dbraw/zinc/09/71/32/583097132.db2.gz WPCQCUAZIHENLA-UHFFFAOYSA-N 0 0 182.263 2.708 10 30 AFEERN C=C(C)CCOC(=O)/C=C(\C)CC 835188445 583097184 /nfs/dbraw/zinc/09/71/84/583097184.db2.gz ARQYVAWCJQYVTJ-CSKARUKUSA-N 0 0 182.263 2.852 10 30 AFEERN C=CCCCOC(=O)[C@@H]1C[C@H]1CC 835197150 583097252 /nfs/dbraw/zinc/09/72/52/583097252.db2.gz HMFDRRVZUKDYPL-NXEZZACHSA-N 0 0 182.263 2.542 10 30 AFEERN C=C(C)CCOC(=O)[C@@H]1C[C@H]1CC 835188575 583097413 /nfs/dbraw/zinc/09/74/13/583097413.db2.gz DFIGVXRIGMUEGU-NXEZZACHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CC(C)(C)C(=O)OCC1CCC1 835180351 583097462 /nfs/dbraw/zinc/09/74/62/583097462.db2.gz ASIJVQPNODOJSQ-UHFFFAOYSA-N 0 0 182.263 2.542 10 30 AFEERN CC[C@@H](C#N)OC(=O)CCCC(C)C 835211615 583097474 /nfs/dbraw/zinc/09/74/74/583097474.db2.gz KEZXHTYVMXVPBD-JTQLQIEISA-N 0 0 197.278 2.658 10 30 AFEERN C=C(C)CCOC(=O)/C=C(/C)CC 835188446 583097498 /nfs/dbraw/zinc/09/74/98/583097498.db2.gz ARQYVAWCJQYVTJ-NTMALXAHSA-N 0 0 182.263 2.852 10 30 AFEERN C=CC(C)(C)C(=O)O[C@H](C)C(C)C 835226784 583097754 /nfs/dbraw/zinc/09/77/54/583097754.db2.gz GBTIAYZBMILKLG-SECBINFHSA-N 0 0 184.279 2.786 10 30 AFEERN C=CC(C)(C)C(=O)O[C@@H](C)C(C)C 835226785 583098005 /nfs/dbraw/zinc/09/80/05/583098005.db2.gz GBTIAYZBMILKLG-VIFPVBQESA-N 0 0 184.279 2.786 10 30 AFEERN C=C[C@@H](CC)OC(=O)[C@@H]1C[C@H]1CC 835274406 583098166 /nfs/dbraw/zinc/09/81/66/583098166.db2.gz QOCDRADGBLBEDV-KXUCPTDWSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](CC)OC(=O)[C@@H]1C[C@H]1CC 835274407 583098230 /nfs/dbraw/zinc/09/82/30/583098230.db2.gz QOCDRADGBLBEDV-OPRDCNLKSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC(C)(C)C(=O)OC[C@H](C)C1CC1 835373693 583098675 /nfs/dbraw/zinc/09/86/75/583098675.db2.gz RGLCCRFQVJVXKI-VIFPVBQESA-N 0 0 196.290 2.788 10 30 AFEERN C=CC(C)(C)C(=O)OC[C@@H](C)C1CC1 835373692 583098754 /nfs/dbraw/zinc/09/87/54/583098754.db2.gz RGLCCRFQVJVXKI-SECBINFHSA-N 0 0 196.290 2.788 10 30 AFEERN C=C[C@@H](C)OC(=O)CCCC(C)C 835328943 583098757 /nfs/dbraw/zinc/09/87/57/583098757.db2.gz VKOYRXSELYCUCW-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=CCC1(C(=O)OC2CC2)CCCC1 835332988 583098777 /nfs/dbraw/zinc/09/87/77/583098777.db2.gz OGPRTXDUUJCYFJ-UHFFFAOYSA-N 0 0 194.274 2.829 10 30 AFEERN C=C[C@H](C)OC(=O)CCCC(C)C 835328942 583098943 /nfs/dbraw/zinc/09/89/43/583098943.db2.gz VKOYRXSELYCUCW-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=CCCCCOC(=O)[C@@H]1C[C@H]1CC 835448811 583099255 /nfs/dbraw/zinc/09/92/55/583099255.db2.gz BBNVDWJPBIGPDM-GHMZBOCLSA-N 0 0 196.290 2.932 10 30 AFEERN C=C(CC)COC(=O)[C@@H]1C[C@H]1CC 835663386 583099423 /nfs/dbraw/zinc/09/94/23/583099423.db2.gz XXBRLZKGFPLMCK-NXEZZACHSA-N 0 0 182.263 2.542 10 30 AFEERN C=CC(C)(C)C(=O)OC[C@H]1CC1(C)C 835454041 583099557 /nfs/dbraw/zinc/09/95/57/583099557.db2.gz NIFVVWVRSIHFGR-SECBINFHSA-N 0 0 196.290 2.788 10 30 AFEERN C=CC(C)(C)COC(=O)/C=C\C1CC1 835724921 583099747 /nfs/dbraw/zinc/09/97/47/583099747.db2.gz SHMXWAVDYUZCDO-FPLPWBNLSA-N 0 0 194.274 2.708 10 30 AFEERN C#CCCCCCCOC(=O)C1CC1 835710358 583099763 /nfs/dbraw/zinc/09/97/63/583099763.db2.gz UZMJGOSTWMDLHN-UHFFFAOYSA-N 0 0 194.274 2.523 10 30 AFEERN C=CC(C)(C)COC(=O)[C@H](C)CC 835725505 583099800 /nfs/dbraw/zinc/09/98/00/583099800.db2.gz BHGHWRGPBZTTRJ-SECBINFHSA-N 0 0 184.279 2.788 10 30 AFEERN C=CC(C)(C)C(=O)OC1CC2(CC2)C1 835723646 583099894 /nfs/dbraw/zinc/09/98/94/583099894.db2.gz ATXHQYNXXBRDGN-UHFFFAOYSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC(C)(C)COC(=O)[C@@H]1CC1(C)C 835724843 583099906 /nfs/dbraw/zinc/09/99/06/583099906.db2.gz OVDGBEDTZUFTSR-VIFPVBQESA-N 0 0 196.290 2.788 10 30 AFEERN C=CC(C)(C)COC(=O)CCC 835723968 583099947 /nfs/dbraw/zinc/09/99/47/583099947.db2.gz DFFPFJAFARINEV-UHFFFAOYSA-N 0 0 170.252 2.542 10 30 AFEERN C=CC(C)(C)COC(=O)[C@@H](C)CC 835725506 583100004 /nfs/dbraw/zinc/10/00/04/583100004.db2.gz BHGHWRGPBZTTRJ-VIFPVBQESA-N 0 0 184.279 2.788 10 30 AFEERN C=CC(C)(C)COC(=O)C1CC=CC1 835724065 583100028 /nfs/dbraw/zinc/10/00/28/583100028.db2.gz FGFOMTJWRZIAKZ-UHFFFAOYSA-N 0 0 194.274 2.708 10 30 AFEERN C=CC(C)(C)COC(=O)C=C1CCC1 835723895 583100036 /nfs/dbraw/zinc/10/00/36/583100036.db2.gz CTLBWBGCUYVMQE-UHFFFAOYSA-N 0 0 194.274 2.852 10 30 AFEERN C=CCCCC(=O)OC1CC2(CC2)C1 835729552 583100037 /nfs/dbraw/zinc/10/00/37/583100037.db2.gz PCXLUIQUDUNFOE-UHFFFAOYSA-N 0 0 194.274 2.829 10 30 AFEERN C=CC(C)(C)COC(=O)/C=C/C1CC1 835724920 583100049 /nfs/dbraw/zinc/10/00/49/583100049.db2.gz SHMXWAVDYUZCDO-BQYQJAHWSA-N 0 0 194.274 2.708 10 30 AFEERN C#CCCCCCCOC(=O)CCC 835711501 583100052 /nfs/dbraw/zinc/10/00/52/583100052.db2.gz LTZCOTXAHLRTDY-UHFFFAOYSA-N 0 0 196.290 2.913 10 30 AFEERN C=CC(C)(C)COC(=O)C=C(C)C 835724146 583100058 /nfs/dbraw/zinc/10/00/58/583100058.db2.gz HIMZMLFAXXLLKH-UHFFFAOYSA-N 0 0 182.263 2.708 10 30 AFEERN C=CC(C)(C)COC(=O)[C@@H]1C[C@H]1CC 835722301 583100086 /nfs/dbraw/zinc/10/00/86/583100086.db2.gz QSSCKIJNEYITLS-NXEZZACHSA-N 0 0 196.290 2.788 10 30 AFEERN C=CC(C)(C)COC(=O)C1(C)CCC1 835724115 583100220 /nfs/dbraw/zinc/10/02/20/583100220.db2.gz FWVSFAZVKPJBIP-UHFFFAOYSA-N 0 0 196.290 2.932 10 30 AFEERN C=CC(C)(C)COC(=O)c1ccco1 835724096 583100240 /nfs/dbraw/zinc/10/02/40/583100240.db2.gz GOXJCVSSOSGZNC-UHFFFAOYSA-N 0 0 194.230 2.649 10 30 AFEERN C=CC(C)(C)COC(=O)C(C)(C)C 835724050 583100258 /nfs/dbraw/zinc/10/02/58/583100258.db2.gz FNOPKDLUMUCOOT-UHFFFAOYSA-N 0 0 184.279 2.788 10 30 AFEERN C#CCCCCCCOC(=O)CC 835711523 583100267 /nfs/dbraw/zinc/10/02/67/583100267.db2.gz BPFXIDSYMWKFKE-UHFFFAOYSA-N 0 0 182.263 2.523 10 30 AFEERN C=CCCc1nc(C(C)(C)CC)no1 867175231 583102185 /nfs/dbraw/zinc/10/21/85/583102185.db2.gz FSDJBKKTAIUFSF-UHFFFAOYSA-N 0 0 194.278 2.876 10 30 AFEERN C=C(C)CCNC(=O)/C=C/C(C)(C)C 836824327 583103496 /nfs/dbraw/zinc/10/34/96/583103496.db2.gz AJZVXLJSPUAGAZ-SOFGYWHQSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(C)CCNC(=O)/C=C\C(C)(C)C 836824328 583103780 /nfs/dbraw/zinc/10/37/80/583103780.db2.gz AJZVXLJSPUAGAZ-VURMDHGXSA-N 0 0 195.306 2.671 10 30 AFEERN C=CC(C)(C)CNC(=O)/C=C(\C)CC 836828342 583103865 /nfs/dbraw/zinc/10/38/65/583103865.db2.gz BVEBNIYNJWMUOD-CSKARUKUSA-N 0 0 195.306 2.671 10 30 AFEERN C=CC(C)(C)CNC(=O)/C=C(/C)CC 836828344 583103978 /nfs/dbraw/zinc/10/39/78/583103978.db2.gz BVEBNIYNJWMUOD-NTMALXAHSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(CC)CNC(=O)/C=C\C(C)(C)C 837101469 583106866 /nfs/dbraw/zinc/10/68/66/583106866.db2.gz WKCQBJWLSFAIFJ-FPLPWBNLSA-N 0 0 195.306 2.671 10 30 AFEERN C=C(CC)CNC(=O)/C=C/C(C)(C)C 837101468 583107246 /nfs/dbraw/zinc/10/72/46/583107246.db2.gz WKCQBJWLSFAIFJ-BQYQJAHWSA-N 0 0 195.306 2.671 10 30 AFEERN CC(C)CON=C1CCC[C@@H]2C[C@H]12 841631711 583116233 /nfs/dbraw/zinc/11/62/33/583116233.db2.gz GEXUASWYZAYLST-ZJUUUORDSA-N 0 0 181.279 2.835 10 30 AFEERN C=C(C)CNN=C(CC)[C@H]1C[C@@H]1C 841638964 583115267 /nfs/dbraw/zinc/11/52/67/583115267.db2.gz IBZUGYINCQQROV-UWVGGRQHSA-N 0 0 180.295 2.574 10 30 AFEERN CON=C[C@@]1(C)C[C@@H]1c1ccccc1 841617997 583115313 /nfs/dbraw/zinc/11/53/13/583115313.db2.gz BHHJUZZBXQCIPC-VXGBXAGGSA-N 0 0 189.258 2.812 10 30 AFEERN C=C(C)CNN=C(CC)[C@@H]1C[C@@H]1C 841638966 583115515 /nfs/dbraw/zinc/11/55/15/583115515.db2.gz IBZUGYINCQQROV-VHSXEESVSA-N 0 0 180.295 2.574 10 30 AFEERN C=C(C)CNN=C(CC)[C@H]1C[C@H]1C 841638967 583115532 /nfs/dbraw/zinc/11/55/32/583115532.db2.gz IBZUGYINCQQROV-ZJUUUORDSA-N 0 0 180.295 2.574 10 30 AFEERN CCON=Cc1ccc(C2CC2)cc1 841615753 583115583 /nfs/dbraw/zinc/11/55/83/583115583.db2.gz FPEFAIKPYXSQFC-UHFFFAOYSA-N 0 0 189.258 2.934 10 30 AFEERN CC(=NOC1CCC1)[C@H]1CC1(F)F 841638386 583115892 /nfs/dbraw/zinc/11/58/92/583115892.db2.gz CNTSPZFPWBCUCM-MRVPVSSYSA-N 0 0 189.205 2.587 10 30 AFEERN CC(=NOCC(C)C)[C@@H]1CC1(F)F 841631170 583115944 /nfs/dbraw/zinc/11/59/44/583115944.db2.gz CLJVGDDBRLFWNP-QMMMGPOBSA-N 0 0 191.221 2.690 10 30 AFEERN CC(=NOCC(C)C)[C@H]1CC1(F)F 841631169 583115948 /nfs/dbraw/zinc/11/59/48/583115948.db2.gz CLJVGDDBRLFWNP-MRVPVSSYSA-N 0 0 191.221 2.690 10 30 AFEERN CC(=NOC1CCC1)[C@@H]1CC1(F)F 841638387 583115972 /nfs/dbraw/zinc/11/59/72/583115972.db2.gz CNTSPZFPWBCUCM-QMMMGPOBSA-N 0 0 189.205 2.587 10 30 AFEERN CCC(=NOCC(F)F)[C@H]1C[C@H]1C 841631057 583115995 /nfs/dbraw/zinc/11/59/95/583115995.db2.gz CGXDVFSVIWNZBX-RQJHMYQMSA-N 0 0 191.221 2.690 10 30 AFEERN CC1(C)CC(=NOC2CCCC2)CO1 841630466 583116024 /nfs/dbraw/zinc/11/60/24/583116024.db2.gz FRIJLRBOPITDEN-UHFFFAOYSA-N 0 0 197.278 2.501 10 30 AFEERN C(CC[C@H]1CCO1)=NOC1CCCC1 841630715 583116032 /nfs/dbraw/zinc/11/60/32/583116032.db2.gz LLJNODHPBAFLSV-JTQLQIEISA-N 0 0 197.278 2.501 10 30 AFEERN CCC(=NOCC(F)F)[C@H]1C[C@@H]1C 841631052 583116119 /nfs/dbraw/zinc/11/61/19/583116119.db2.gz CGXDVFSVIWNZBX-BQBZGAKWSA-N 0 0 191.221 2.690 10 30 AFEERN CCC(=NOCC(F)F)[C@@H]1C[C@@H]1C 841631055 583116171 /nfs/dbraw/zinc/11/61/71/583116171.db2.gz CGXDVFSVIWNZBX-NKWVEPMBSA-N 0 0 191.221 2.690 10 30 AFEERN C(CC[C@@H]1CCO1)=NOC1CCCC1 841630718 583116262 /nfs/dbraw/zinc/11/62/62/583116262.db2.gz LLJNODHPBAFLSV-SNVBAGLBSA-N 0 0 197.278 2.501 10 30 AFEERN CCC(=NOCC(F)F)[C@@H]1C[C@H]1C 841631056 583116419 /nfs/dbraw/zinc/11/64/19/583116419.db2.gz CGXDVFSVIWNZBX-RNFRBKRXSA-N 0 0 191.221 2.690 10 30 AFEERN C=C(C)CNN=C(CC)[C@@H]1C[C@H]1C 841638963 583116421 /nfs/dbraw/zinc/11/64/21/583116421.db2.gz IBZUGYINCQQROV-NXEZZACHSA-N 0 0 180.295 2.574 10 30 AFEERN CCC(=NOCC1CC1)[C@@H]1C[C@H]1C 841639660 583116571 /nfs/dbraw/zinc/11/65/71/583116571.db2.gz CWNACRMTUZWFKF-PSASIEDQSA-N 0 0 181.279 2.835 10 30 AFEERN CC[C@H](C)CON=CCC[C@H]1CCO1 841642623 583116580 /nfs/dbraw/zinc/11/65/80/583116580.db2.gz XTAZUZCIEHDMAW-QWRGUYRKSA-N 0 0 199.294 2.604 10 30 AFEERN CCC(=NOC(C)C)[C@H]1C[C@H]1C 841640422 583116704 /nfs/dbraw/zinc/11/67/04/583116704.db2.gz GAWCQFHHFKTQGT-BDAKNGLRSA-N 0 0 169.268 2.833 10 30 AFEERN CC[C@@H](C)CON=CCC[C@@H]1CCO1 841642621 583116708 /nfs/dbraw/zinc/11/67/08/583116708.db2.gz XTAZUZCIEHDMAW-GHMZBOCLSA-N 0 0 199.294 2.604 10 30 AFEERN C=C(C)CNN=C(CC)[C@@H]1CC1(C)C 841640292 583116743 /nfs/dbraw/zinc/11/67/43/583116743.db2.gz YSMWMTNSQYDFQM-JTQLQIEISA-N 0 0 194.322 2.964 10 30 AFEERN CCC(=NOC(C)C)[C@H]1C[C@@H]1C 841640425 583116762 /nfs/dbraw/zinc/11/67/62/583116762.db2.gz GAWCQFHHFKTQGT-IUCAKERBSA-N 0 0 169.268 2.833 10 30 AFEERN CCC(=NOCC1CC1)[C@H]1C[C@@H]1C 841639663 583116809 /nfs/dbraw/zinc/11/68/09/583116809.db2.gz CWNACRMTUZWFKF-WPRPVWTQSA-N 0 0 181.279 2.835 10 30 AFEERN CCC(=NOCC1CC1)[C@H]1C[C@H]1C 841639661 583116886 /nfs/dbraw/zinc/11/68/86/583116886.db2.gz CWNACRMTUZWFKF-SCZZXKLOSA-N 0 0 181.279 2.835 10 30 AFEERN CC[C@@H](C)CON=CCC[C@H]1CCO1 841642622 583116922 /nfs/dbraw/zinc/11/69/22/583116922.db2.gz XTAZUZCIEHDMAW-MNOVXSKESA-N 0 0 199.294 2.604 10 30 AFEERN CC(CCCCC#N)=NOCC1CC1 841639637 583116934 /nfs/dbraw/zinc/11/69/34/583116934.db2.gz CGHGZLPHRFSFMH-UHFFFAOYSA-N 0 0 194.278 2.873 10 30 AFEERN CC[C@H](C)CON=CCC[C@@H]1CCO1 841642624 583116964 /nfs/dbraw/zinc/11/69/64/583116964.db2.gz XTAZUZCIEHDMAW-WDEREUQCSA-N 0 0 199.294 2.604 10 30 AFEERN CCC(=NOC(C)C)[C@@H]1C[C@@H]1C 841640424 583116976 /nfs/dbraw/zinc/11/69/76/583116976.db2.gz GAWCQFHHFKTQGT-DTWKUNHWSA-N 0 0 169.268 2.833 10 30 AFEERN C=C(C)CNN=C(CC)[C@H]1CC1(C)C 841640294 583116984 /nfs/dbraw/zinc/11/69/84/583116984.db2.gz YSMWMTNSQYDFQM-SNVBAGLBSA-N 0 0 194.322 2.964 10 30 AFEERN CCC(=NOC(C)C)[C@@H]1C[C@H]1C 841640428 583117002 /nfs/dbraw/zinc/11/70/02/583117002.db2.gz GAWCQFHHFKTQGT-RKDXNWHRSA-N 0 0 169.268 2.833 10 30 AFEERN CCC(=NOCC1CC1)[C@@H]1C[C@@H]1C 841639662 583117003 /nfs/dbraw/zinc/11/70/03/583117003.db2.gz CWNACRMTUZWFKF-WCBMZHEXSA-N 0 0 181.279 2.835 10 30 AFEERN COC1(CCON=C2CCC2)CCC1 842030324 583119809 /nfs/dbraw/zinc/11/98/09/583119809.db2.gz CGUNZBWYHQLLQW-UHFFFAOYSA-N 0 0 197.278 2.502 10 30 AFEERN C=CCOCCSCCC(=C)C 842182399 583122905 /nfs/dbraw/zinc/12/29/05/583122905.db2.gz CCVVBLFTEYCESB-UHFFFAOYSA-N 0 0 186.320 2.888 10 30 AFEERN CC[C@@H]1CCCC[C@H]1C=NOC 842525942 583123834 /nfs/dbraw/zinc/12/38/34/583123834.db2.gz YDGINUWAFNXZET-ZJUUUORDSA-N 0 0 169.268 2.835 10 30 AFEERN CC[C@H](C)NN=C1C[C@H]2C=C[C@@H]1CC2 842531691 583123947 /nfs/dbraw/zinc/12/39/47/583123947.db2.gz PRJUOHYXFWSWEI-GARJFASQSA-N 0 0 192.306 2.717 10 30 AFEERN CC[C@H]1CCCC[C@@H]1C=NOC 842525941 583123997 /nfs/dbraw/zinc/12/39/97/583123997.db2.gz YDGINUWAFNXZET-VHSXEESVSA-N 0 0 169.268 2.835 10 30 AFEERN CCON=C[C@@H]1C[C@@H]2C=C[C@H]1CC2 842525478 583124052 /nfs/dbraw/zinc/12/40/52/583124052.db2.gz QMOSVEYTXZWLNF-VWYCJHECSA-N 0 0 179.263 2.611 10 30 AFEERN CCCCNN=C1C[C@H]2C=C[C@@H]1CC2 842524589 583124059 /nfs/dbraw/zinc/12/40/59/583124059.db2.gz SOWJAXBRCBDGHK-WDEREUQCSA-N 0 0 192.306 2.718 10 30 AFEERN C1=C[C@@H]2CC[C@H]1CC2=NOC1CCC1 842533136 583124203 /nfs/dbraw/zinc/12/42/03/583124203.db2.gz MAPBSVRQSANLOO-VHSXEESVSA-N 0 0 191.274 2.898 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1C=NOC 842525939 583124206 /nfs/dbraw/zinc/12/42/06/583124206.db2.gz YDGINUWAFNXZET-NXEZZACHSA-N 0 0 169.268 2.835 10 30 AFEERN CC[C@@H](C)NN=C1C[C@H]2C=C[C@@H]1CC2 842531692 583124340 /nfs/dbraw/zinc/12/43/40/583124340.db2.gz PRJUOHYXFWSWEI-OUAUKWLOSA-N 0 0 192.306 2.717 10 30 AFEERN CC[C@H]1CCCC[C@H]1C=NOC 842525940 583124371 /nfs/dbraw/zinc/12/43/71/583124371.db2.gz YDGINUWAFNXZET-UWVGGRQHSA-N 0 0 169.268 2.835 10 30 AFEERN CC(C)ON=C1C[C@H]2C=C[C@@H]1CC2 842536008 583124629 /nfs/dbraw/zinc/12/46/29/583124629.db2.gz LUJIHYVPLWGZEA-VHSXEESVSA-N 0 0 179.263 2.754 10 30 AFEERN C1=C[C@@H]2CC[C@H]1CC2=NOCC1CC1 842533831 583124716 /nfs/dbraw/zinc/12/47/16/583124716.db2.gz STNPQACZRKKAJA-GXSJLCMTSA-N 0 0 191.274 2.755 10 30 AFEERN C#CCON=C[C@H]1CCCC[C@H]1CC 842533383 583124816 /nfs/dbraw/zinc/12/48/16/583124816.db2.gz PIMUXOOKMIBNOD-VXGBXAGGSA-N 0 0 193.290 2.838 10 30 AFEERN C=CCON=C1C[C@H]2C=C[C@@H]1CC2 842536204 583124881 /nfs/dbraw/zinc/12/48/81/583124881.db2.gz OLFDGYUTQOTBED-VHSXEESVSA-N 0 0 177.247 2.531 10 30 AFEERN CC(C)ON=C[C@@H]1C[C@@H]2C=C[C@H]1CC2 842535998 583124907 /nfs/dbraw/zinc/12/49/07/583124907.db2.gz LKUBTERKLFQNIT-WOPDTQHZSA-N 0 0 193.290 3.000 10 30 AFEERN C#CCON=C[C@H]1CCCC[C@@H]1CC 842533381 583124921 /nfs/dbraw/zinc/12/49/21/583124921.db2.gz PIMUXOOKMIBNOD-NWDGAFQWSA-N 0 0 193.290 2.838 10 30 AFEERN C#CCON=C[C@@H]1CCCC[C@H]1CC 842533380 583124984 /nfs/dbraw/zinc/12/49/84/583124984.db2.gz PIMUXOOKMIBNOD-NEPJUHHUSA-N 0 0 193.290 2.838 10 30 AFEERN CC(C)CNN=C1C[C@H]2C=C[C@@H]1CC2 842530796 583125131 /nfs/dbraw/zinc/12/51/31/583125131.db2.gz TWQNFTVTNILHNO-WDEREUQCSA-N 0 0 192.306 2.574 10 30 AFEERN C=CCON=C[C@@H]1C[C@@H]2C=C[C@H]1CC2 842536171 583125201 /nfs/dbraw/zinc/12/52/01/583125201.db2.gz NOBWBYUGKHXZPH-WOPDTQHZSA-N 0 0 191.274 2.777 10 30 AFEERN C#CCON=C[C@@H]1CCCC[C@@H]1CC 842533382 583125233 /nfs/dbraw/zinc/12/52/33/583125233.db2.gz PIMUXOOKMIBNOD-RYUDHWBXSA-N 0 0 193.290 2.838 10 30 AFEERN CC(CC(C)(C)C)=NNC12CC(C1)C2 842543423 583125399 /nfs/dbraw/zinc/12/53/99/583125399.db2.gz HEQCHHWGEIWLOB-UHFFFAOYSA-N 0 0 194.322 2.941 10 30 AFEERN CCC(=NNC12CC(C1)C2)[C@@H]1C[C@@H]1C 842544728 583125656 /nfs/dbraw/zinc/12/56/56/583125656.db2.gz YBHSDJDJZXPYLM-GWFPEYJASA-N 0 0 192.306 2.551 10 30 AFEERN CCC(=NNC12CC(C1)C2)[C@H]1C[C@H]1C 842544730 583125725 /nfs/dbraw/zinc/12/57/25/583125725.db2.gz YBHSDJDJZXPYLM-HUXNSBQSSA-N 0 0 192.306 2.551 10 30 AFEERN CCC(=NNC12CC(C1)C2)[C@@H]1C[C@H]1C 842544726 583125939 /nfs/dbraw/zinc/12/59/39/583125939.db2.gz YBHSDJDJZXPYLM-DKZWSVDFSA-N 0 0 192.306 2.551 10 30 AFEERN CCC(=NNC12CC(C1)C2)[C@H]1C[C@@H]1C 842544732 583125946 /nfs/dbraw/zinc/12/59/46/583125946.db2.gz YBHSDJDJZXPYLM-ZSWLNHAKSA-N 0 0 192.306 2.551 10 30 AFEERN CC(=NNC12CC(C1)C2)[C@H]1CC1(C)C 842544792 583125955 /nfs/dbraw/zinc/12/59/55/583125955.db2.gz ZJCZVDCSVNIHKF-SQLBVSGCSA-N 0 0 192.306 2.551 10 30 AFEERN CCCC(CC)=NNC12CC(C1)C2 842546483 583126035 /nfs/dbraw/zinc/12/60/35/583126035.db2.gz UQWFKTVFVIMIOY-UHFFFAOYSA-N 0 0 180.295 2.695 10 30 AFEERN CCCON=C1CC[C@H]1C1CC1 842550328 583126047 /nfs/dbraw/zinc/12/60/47/583126047.db2.gz DIDBIGSMVVLULO-VIFPVBQESA-N 0 0 167.252 2.589 10 30 AFEERN CCCON=CCc1ccc(C)cc1 842550345 583126051 /nfs/dbraw/zinc/12/60/51/583126051.db2.gz DSMCTJQZHPYNFF-UHFFFAOYSA-N 0 0 191.274 2.950 10 30 AFEERN CC1(C)CCC(=NNC23CC(C2)C3)C1 842547622 583126143 /nfs/dbraw/zinc/12/61/43/583126143.db2.gz UOUOTFYBYXWMKS-UHFFFAOYSA-N 0 0 192.306 2.695 10 30 AFEERN C[C@H]1CCCC(N=NC23CC(C2)C3)C1 842547220 583126156 /nfs/dbraw/zinc/12/61/56/583126156.db2.gz JYOYRFSUXJVANP-BMQDGWLCSA-N 0 0 192.306 2.695 10 30 AFEERN CC[C@H]1CCCC1=NNC12CC(C1)C2 842546826 583126198 /nfs/dbraw/zinc/12/61/98/583126198.db2.gz YTCAVFFPPBLBAW-YZRBJQDESA-N 0 0 192.306 2.695 10 30 AFEERN C[C@@H]1CCCC(=NNC23CC(C2)C3)C1 842547221 583126253 /nfs/dbraw/zinc/12/62/53/583126253.db2.gz JYOYRFSUXJVANP-GRZMOONWSA-N 0 0 192.306 2.695 10 30 AFEERN C=CCCC(CC)=NNC12CC(C1)C2 842546854 583126268 /nfs/dbraw/zinc/12/62/68/583126268.db2.gz OBFFQIOSYGQPRE-UHFFFAOYSA-N 0 0 192.306 2.861 10 30 AFEERN CCCON=C1CC(C(C)C)C1 842551339 583126294 /nfs/dbraw/zinc/12/62/94/583126294.db2.gz QJWBKEDBBORIBW-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN CC[C@@H]1CCCC1=NNC12CC(C1)C2 842546825 583126332 /nfs/dbraw/zinc/12/63/32/583126332.db2.gz YTCAVFFPPBLBAW-SQLBVSGCSA-N 0 0 192.306 2.695 10 30 AFEERN CCCON=C1CC[C@@H]1C1CC1 842550326 583126343 /nfs/dbraw/zinc/12/63/43/583126343.db2.gz DIDBIGSMVVLULO-SECBINFHSA-N 0 0 167.252 2.589 10 30 AFEERN CC1(C)CCCC1=NNC12CC(C1)C2 842545932 583126431 /nfs/dbraw/zinc/12/64/31/583126431.db2.gz NXORAIDCFLKMQE-UHFFFAOYSA-N 0 0 192.306 2.695 10 30 AFEERN C[C@@H]1CCCCC1=NNC12CC(C1)C2 842547346 583126473 /nfs/dbraw/zinc/12/64/73/583126473.db2.gz KYDMRCHQPSYYER-GRZMOONWSA-N 0 0 192.306 2.695 10 30 AFEERN C1CCCC(=NNC23CC(C2)C3)CC1 842548286 583126512 /nfs/dbraw/zinc/12/65/12/583126512.db2.gz ORRWBTWNNXBHSV-UHFFFAOYSA-N 0 0 192.306 2.839 10 30 AFEERN CCCON=C(C)Cc1ccoc1 842550343 583126573 /nfs/dbraw/zinc/12/65/73/583126573.db2.gz DRXGXXSOCVGRNO-UHFFFAOYSA-N 0 0 181.235 2.625 10 30 AFEERN CC(=NNC12CC(C1)C2)C1CCCC1 842546203 583126600 /nfs/dbraw/zinc/12/66/00/583126600.db2.gz FTQJJFCOXWRHGA-UHFFFAOYSA-N 0 0 192.306 2.695 10 30 AFEERN CC(CC1CCC1)=NNC12CC(C1)C2 842545894 583126608 /nfs/dbraw/zinc/12/66/08/583126608.db2.gz NMVUXEZQXWYLPV-UHFFFAOYSA-N 0 0 192.306 2.695 10 30 AFEERN CCCON=CCC(C)(C)SC 842550233 583126610 /nfs/dbraw/zinc/12/66/10/583126610.db2.gz AOBZAWNMOSYWAX-UHFFFAOYSA-N 0 0 189.324 2.931 10 30 AFEERN CC(C)C(N=NC12CC(C1)C2)C1CC1 842547023 583126623 /nfs/dbraw/zinc/12/66/23/583126623.db2.gz RUPQITZYXXNJGF-UHFFFAOYSA-N 0 0 192.306 2.551 10 30 AFEERN C[C@H]1CCCCC1N=NC12CC(C1)C2 842547344 583126639 /nfs/dbraw/zinc/12/66/39/583126639.db2.gz KYDMRCHQPSYYER-BMQDGWLCSA-N 0 0 192.306 2.695 10 30 AFEERN CCCON=C(C)c1cncc(C)c1 842552680 583127424 /nfs/dbraw/zinc/12/74/24/583127424.db2.gz FMYRJBGGIZCCSE-UHFFFAOYSA-N 0 0 192.262 2.541 10 30 AFEERN CCC(C=NNC12CC(C1)C2)CC 842547753 583126655 /nfs/dbraw/zinc/12/66/55/583126655.db2.gz WYBNEQIHKAZHGS-UHFFFAOYSA-N 0 0 180.295 2.551 10 30 AFEERN CC1CCC(=NNC23CC(C2)C3)CC1 842547663 583126668 /nfs/dbraw/zinc/12/66/68/583126668.db2.gz SUHBQTOJDVHPNN-UHFFFAOYSA-N 0 0 192.306 2.695 10 30 AFEERN CCCON=CCCC1CC1 842550355 583126678 /nfs/dbraw/zinc/12/66/78/583126678.db2.gz DYLWXHFFKYMWNR-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C(=NNC12CC(C1)C2)C1CCCCC1 842546819 583126679 /nfs/dbraw/zinc/12/66/79/583126679.db2.gz BXTHNZIXVAZROZ-UHFFFAOYSA-N 0 0 192.306 2.695 10 30 AFEERN CCCON=Cc1cccc(C)c1F 842553560 583127426 /nfs/dbraw/zinc/12/74/26/583127426.db2.gz HXIXSJRDLWFVHB-UHFFFAOYSA-N 0 0 195.237 2.895 10 30 AFEERN CCCON=C(C)CC1(OC)CCC1 842551784 583127432 /nfs/dbraw/zinc/12/74/32/583127432.db2.gz UWHZRLJEQWGTQV-UHFFFAOYSA-N 0 0 199.294 2.748 10 30 AFEERN CCCON=C1CCC(C)(C)C1 842551749 583126821 /nfs/dbraw/zinc/12/68/21/583126821.db2.gz CGHZQJLZGINNDM-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN CCCON=C(CC)C1CC1 842555602 583127440 /nfs/dbraw/zinc/12/74/40/583127440.db2.gz CTFBXSIEWVCTGW-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN CCCON=C[C@H](C)CCC 842555086 583127004 /nfs/dbraw/zinc/12/70/04/583127004.db2.gz UTBWGDZEIWLVPO-SECBINFHSA-N 0 0 157.257 2.835 10 30 AFEERN CCCON=C1CCC[C@@H]2C[C@H]12 842552834 583127045 /nfs/dbraw/zinc/12/70/45/583127045.db2.gz GSDJMTLYFQHXSZ-BDAKNGLRSA-N 0 0 167.252 2.589 10 30 AFEERN CCCON=C(C(C)C)C1CC1 842556171 583127100 /nfs/dbraw/zinc/12/71/00/583127100.db2.gz HXQFNVKTILFUNO-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN CCCON=C(C)CCCCC#N 842551591 583127254 /nfs/dbraw/zinc/12/72/54/583127254.db2.gz CZHVQHMRJRTVKJ-UHFFFAOYSA-N 0 0 182.267 2.873 10 30 AFEERN CCCON=C[C@@H](C)CCC 842555087 583127273 /nfs/dbraw/zinc/12/72/73/583127273.db2.gz UTBWGDZEIWLVPO-VIFPVBQESA-N 0 0 157.257 2.835 10 30 AFEERN CCCON=C1CCCC[C@H]1C 842565408 583127518 /nfs/dbraw/zinc/12/75/18/583127518.db2.gz HAORKYQLYLXJGU-SECBINFHSA-N 0 0 169.268 2.979 10 30 AFEERN CCCON=Cc1ccc(C)s1 842565172 583127714 /nfs/dbraw/zinc/12/77/14/583127714.db2.gz DDTPZSGTMNVYTK-UHFFFAOYSA-N 0 0 183.276 2.817 10 30 AFEERN CCCON=C1C[C@H]2C=C[C@@H]1CC2 842557252 583127800 /nfs/dbraw/zinc/12/78/00/583127800.db2.gz UWRPDXVNFUAAJL-VHSXEESVSA-N 0 0 179.263 2.755 10 30 AFEERN CCCON=C[C@H]1CC=CCC1 842565206 583127856 /nfs/dbraw/zinc/12/78/56/583127856.db2.gz DNEVGYIGAFDOSG-JTQLQIEISA-N 0 0 167.252 2.755 10 30 AFEERN CCCON=Cc1ccsc1 842565225 583127858 /nfs/dbraw/zinc/12/78/58/583127858.db2.gz DZVJWSUIGVNKSB-UHFFFAOYSA-N 0 0 169.249 2.509 10 30 AFEERN CCCON=C1CCc2ccccc21 842565378 583127877 /nfs/dbraw/zinc/12/78/77/583127877.db2.gz GKGXACGTDVINGD-UHFFFAOYSA-N 0 0 189.258 2.764 10 30 AFEERN CCCON=C1CCCC[C@@H]1C 842565409 583127892 /nfs/dbraw/zinc/12/78/92/583127892.db2.gz HAORKYQLYLXJGU-VIFPVBQESA-N 0 0 169.268 2.979 10 30 AFEERN C#CCCOc1cccc2c1CCC2 842652027 583128144 /nfs/dbraw/zinc/12/81/44/583128144.db2.gz ICZUOXVGBMKOMH-UHFFFAOYSA-N 0 0 186.254 2.577 10 30 AFEERN CCCON=C(CC)CC 842565347 583128220 /nfs/dbraw/zinc/12/82/20/583128220.db2.gz FXPNQEIROSHWRY-UHFFFAOYSA-N 0 0 143.230 2.589 10 30 AFEERN CCCON=C(C)c1ccc(F)cc1 842565062 583128222 /nfs/dbraw/zinc/12/82/22/583128222.db2.gz BNETZQULIXWXOR-UHFFFAOYSA-N 0 0 195.237 2.976 10 30 AFEERN CCCON=C[C@@H]1CC=CCC1 842565209 583128223 /nfs/dbraw/zinc/12/82/23/583128223.db2.gz DNEVGYIGAFDOSG-SNVBAGLBSA-N 0 0 167.252 2.755 10 30 AFEERN CCCON=CC1CCCCC1 842565163 583128230 /nfs/dbraw/zinc/12/82/30/583128230.db2.gz DCASUHBCELSZFQ-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN C=CCCCC(=O)N(C)C(C)(C)C 843712585 583135201 /nfs/dbraw/zinc/13/52/01/583135201.db2.gz GWZULVWHXFQTMR-UHFFFAOYSA-N 0 0 183.295 2.600 10 30 AFEERN C=C(C)c1ccc2c(c1)[C@@H](O)CCO2 844236212 583139607 /nfs/dbraw/zinc/13/96/07/583139607.db2.gz WDYMQHNQKKZDHN-NSHDSACASA-N 0 0 190.242 2.536 10 30 AFEERN C=C(C)c1ccc2c(c1)[C@H](O)CCO2 844236211 583140110 /nfs/dbraw/zinc/14/01/10/583140110.db2.gz WDYMQHNQKKZDHN-LLVKDONJSA-N 0 0 190.242 2.536 10 30 AFEERN C=C(C)CN(C)c1ccc(OC)cc1 844352644 583141058 /nfs/dbraw/zinc/14/10/58/583141058.db2.gz AHXKISISNDHEML-UHFFFAOYSA-N 0 0 191.274 2.708 10 30 AFEERN C=C(C)CON=C(CC)c1ccco1 844619130 583145002 /nfs/dbraw/zinc/14/50/02/583145002.db2.gz BNLBYMKKDPBCFX-UHFFFAOYSA-N 0 0 193.246 2.986 10 30 AFEERN CC[C@@]1(C)CCCC1=NNC1CC1 844593214 583142736 /nfs/dbraw/zinc/14/27/36/583142736.db2.gz MISZHVXKSWNRGF-NSHDSACASA-N 0 0 180.295 2.695 10 30 AFEERN CC[C@]1(C)CCCC1=NNC1CC1 844593213 583142812 /nfs/dbraw/zinc/14/28/12/583142812.db2.gz MISZHVXKSWNRGF-LLVKDONJSA-N 0 0 180.295 2.695 10 30 AFEERN C=CC[C@@H]1CCC(=NOCC)C1 844574166 583142887 /nfs/dbraw/zinc/14/28/87/583142887.db2.gz XBLMAQMNKDAUPO-SECBINFHSA-N 0 0 167.252 2.755 10 30 AFEERN C=CC[C@H]1CCC(=NOCC)C1 844574167 583143061 /nfs/dbraw/zinc/14/30/61/583143061.db2.gz XBLMAQMNKDAUPO-VIFPVBQESA-N 0 0 167.252 2.755 10 30 AFEERN CCCNN=C1CCC[C@]1(C)CC 844575640 583143385 /nfs/dbraw/zinc/14/33/85/583143385.db2.gz JLRZGPRWEQOCHV-NSHDSACASA-N 0 0 182.311 2.942 10 30 AFEERN CC[C@@]1(C)CCCC1=NOC 844576131 583143406 /nfs/dbraw/zinc/14/34/06/583143406.db2.gz MQXDPBFCEWERDI-VIFPVBQESA-N 0 0 155.241 2.589 10 30 AFEERN CC[C@]1(C)CCCC1=NOCCOC 844584978 583143431 /nfs/dbraw/zinc/14/34/31/583143431.db2.gz ZSKQPZVFWAFWDF-LLVKDONJSA-N 0 0 199.294 2.606 10 30 AFEERN CCON=C1CCC[C@]1(C)CC 844575402 583143457 /nfs/dbraw/zinc/14/34/57/583143457.db2.gz CNBKSDRDKNJYHK-JTQLQIEISA-N 0 0 169.268 2.979 10 30 AFEERN C=CC[C@H]1CCC(N=NCC(C)C)C1 844588864 583143530 /nfs/dbraw/zinc/14/35/30/583143530.db2.gz DOTPIHOEHSDVAN-NSHDSACASA-N 0 0 194.322 2.964 10 30 AFEERN C=CCNN=C1CCC[C@]1(C)CC 844595505 583143566 /nfs/dbraw/zinc/14/35/66/583143566.db2.gz HOHJHNYVQKXCQM-NSHDSACASA-N 0 0 180.295 2.718 10 30 AFEERN C=CC[C@@H]1CCC(=NNCCC)C1 844576913 583143605 /nfs/dbraw/zinc/14/36/05/583143605.db2.gz VKFFUWCEEYEVKA-SNVBAGLBSA-N 0 0 180.295 2.718 10 30 AFEERN CC[C@@]1(C)CCCC1=NOCCOC 844584979 583143606 /nfs/dbraw/zinc/14/36/06/583143606.db2.gz ZSKQPZVFWAFWDF-NSHDSACASA-N 0 0 199.294 2.606 10 30 AFEERN CCON=C1CCC[C@@]1(C)CC 844575403 583143637 /nfs/dbraw/zinc/14/36/37/583143637.db2.gz CNBKSDRDKNJYHK-SNVBAGLBSA-N 0 0 169.268 2.979 10 30 AFEERN CCCNN=C1CCC[C@@]1(C)CC 844575633 583143638 /nfs/dbraw/zinc/14/36/38/583143638.db2.gz JLRZGPRWEQOCHV-LLVKDONJSA-N 0 0 182.311 2.942 10 30 AFEERN C=CCN=NC1CCC[C@@]1(C)CC 844595504 583143682 /nfs/dbraw/zinc/14/36/82/583143682.db2.gz HOHJHNYVQKXCQM-LLVKDONJSA-N 0 0 180.295 2.718 10 30 AFEERN C=CC[C@H]1CCC(=NNCCC)C1 844576912 583143708 /nfs/dbraw/zinc/14/37/08/583143708.db2.gz VKFFUWCEEYEVKA-JTQLQIEISA-N 0 0 180.295 2.718 10 30 AFEERN CC[C@]1(C)CCCC1=NOC 844576128 583143711 /nfs/dbraw/zinc/14/37/11/583143711.db2.gz MQXDPBFCEWERDI-SECBINFHSA-N 0 0 155.241 2.589 10 30 AFEERN C=CC[C@@H]1CCC(=NNCC(C)C)C1 844588863 583143738 /nfs/dbraw/zinc/14/37/38/583143738.db2.gz DOTPIHOEHSDVAN-LLVKDONJSA-N 0 0 194.322 2.964 10 30 AFEERN C=C(C)CON=C1CCC[C@@H]1C 844616743 583143891 /nfs/dbraw/zinc/14/38/91/583143891.db2.gz DLAUHSIJFFXLKI-VIFPVBQESA-N 0 0 167.252 2.755 10 30 AFEERN C=C(C)CON=C1CCC[C@H]1C 844616741 583143903 /nfs/dbraw/zinc/14/39/03/583143903.db2.gz DLAUHSIJFFXLKI-SECBINFHSA-N 0 0 167.252 2.755 10 30 AFEERN C=CC[C@H]1CCC(=NNCC(=C)C)C1 844598379 583143937 /nfs/dbraw/zinc/14/39/37/583143937.db2.gz XRMSDUITNSJPSF-NSHDSACASA-N 0 0 192.306 2.884 10 30 AFEERN C=C(C)CON=Cc1cccc(C)c1 844614489 583143945 /nfs/dbraw/zinc/14/39/45/583143945.db2.gz GDHZWQGJWBREHK-UHFFFAOYSA-N 0 0 189.258 2.922 10 30 AFEERN C=C(C)CON=C(C)c1ccco1 844614187 583143963 /nfs/dbraw/zinc/14/39/63/583143963.db2.gz AVUJGRTVDLQNAX-UHFFFAOYSA-N 0 0 179.219 2.596 10 30 AFEERN C#CCON=C1CCC[C@]1(C)CC 844596080 583144017 /nfs/dbraw/zinc/14/40/17/583144017.db2.gz HWUCCACYBKCXIX-NSHDSACASA-N 0 0 179.263 2.592 10 30 AFEERN C=CCON=C1CC[C@@H](CC=C)C1 844600701 583144029 /nfs/dbraw/zinc/14/40/29/583144029.db2.gz OAYNHMJBCNBPDG-SNVBAGLBSA-N 0 0 179.263 2.921 10 30 AFEERN C=C(C)CON=CC(C)(C)C 844618517 583144078 /nfs/dbraw/zinc/14/40/78/583144078.db2.gz CYNXVMSRCPKEGT-UHFFFAOYSA-N 0 0 155.241 2.611 10 30 AFEERN CC[C@@H](C)CON=Cc1ccns1 844598723 583144192 /nfs/dbraw/zinc/14/41/92/583144192.db2.gz SGYYXACFTLLDHP-MRVPVSSYSA-N 0 0 198.291 2.540 10 30 AFEERN C=C(C)CON=C[C@H]1CC=CCC1 844614510 583144225 /nfs/dbraw/zinc/14/42/25/583144225.db2.gz GLBMRLMLWICWKO-NSHDSACASA-N 0 0 179.263 2.921 10 30 AFEERN C=CCON=C1CC[C@H](CC=C)C1 844600697 583144252 /nfs/dbraw/zinc/14/42/52/583144252.db2.gz OAYNHMJBCNBPDG-JTQLQIEISA-N 0 0 179.263 2.921 10 30 AFEERN C=CC[C@@H]1CCC(=NNCC(=C)C)C1 844598375 583144274 /nfs/dbraw/zinc/14/42/74/583144274.db2.gz XRMSDUITNSJPSF-LLVKDONJSA-N 0 0 192.306 2.884 10 30 AFEERN C=C(C)CON=C[C@@H]1CC=CCC1 844614508 583144280 /nfs/dbraw/zinc/14/42/80/583144280.db2.gz GLBMRLMLWICWKO-LLVKDONJSA-N 0 0 179.263 2.921 10 30 AFEERN C=C(C)CON=C(C)CCC 844614177 583144306 /nfs/dbraw/zinc/14/43/06/583144306.db2.gz ANOIFSBZURACOS-UHFFFAOYSA-N 0 0 155.241 2.755 10 30 AFEERN C=CCON=C(COC)CC(C)(C)C 844600008 583144313 /nfs/dbraw/zinc/14/43/13/583144313.db2.gz GLIAKYZCYMEDDD-UHFFFAOYSA-N 0 0 199.294 2.628 10 30 AFEERN CC[C@H](C)CON=Cc1ccns1 844598724 583144322 /nfs/dbraw/zinc/14/43/22/583144322.db2.gz SGYYXACFTLLDHP-QMMMGPOBSA-N 0 0 198.291 2.540 10 30 AFEERN C#CCON=C1CCC[C@@]1(C)CC 844596079 583144324 /nfs/dbraw/zinc/14/43/24/583144324.db2.gz HWUCCACYBKCXIX-LLVKDONJSA-N 0 0 179.263 2.592 10 30 AFEERN C=C(C)CON=Cc1ccc(C)s1 844614881 583144362 /nfs/dbraw/zinc/14/43/62/583144362.db2.gz IDMPCAZXGJQGEI-UHFFFAOYSA-N 0 0 195.287 2.983 10 30 AFEERN C=C(C)CON=C1CC[C@@H]1C1CC1 844619141 583144591 /nfs/dbraw/zinc/14/45/91/583144591.db2.gz BUHYFYHLXWQGFH-SNVBAGLBSA-N 0 0 179.263 2.755 10 30 AFEERN C=C(C)CON=C1CCO[C@@H](CC)C1 844618735 583144611 /nfs/dbraw/zinc/14/46/11/583144611.db2.gz GENWMUJYBLVEGG-NSHDSACASA-N 0 0 197.278 2.524 10 30 AFEERN C=C(C)CON=C1CCO[C@H](CC)C1 844618734 583144633 /nfs/dbraw/zinc/14/46/33/583144633.db2.gz GENWMUJYBLVEGG-LLVKDONJSA-N 0 0 197.278 2.524 10 30 AFEERN C=C(C)CON=C(C)CC1CC1 844618417 583144727 /nfs/dbraw/zinc/14/47/27/583144727.db2.gz ADVAIFVFSJTAPW-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN C=C(C)CON=C1CC(C(F)F)C1 844617967 583144987 /nfs/dbraw/zinc/14/49/87/583144987.db2.gz FTSHGCICTGTGPC-UHFFFAOYSA-N 0 0 189.205 2.610 10 30 AFEERN C=C(C)CON=C[C@H](C)CC 844618674 583144996 /nfs/dbraw/zinc/14/49/96/583144996.db2.gz DSGJHWSJDDOQCU-SECBINFHSA-N 0 0 155.241 2.611 10 30 AFEERN C=C(C)CON=Cc1ccc(CC)o1 844618693 583145026 /nfs/dbraw/zinc/14/50/26/583145026.db2.gz FGJXYDMJPJCRJS-UHFFFAOYSA-N 0 0 193.246 2.769 10 30 AFEERN C=C(C)CON=C[C@@H](C)CC 844618675 583145038 /nfs/dbraw/zinc/14/50/38/583145038.db2.gz DSGJHWSJDDOQCU-VIFPVBQESA-N 0 0 155.241 2.611 10 30 AFEERN C=C(C)CON=Cc1cc(C)oc1C 844618685 583145048 /nfs/dbraw/zinc/14/50/48/583145048.db2.gz FATMLYOXQBGGSD-UHFFFAOYSA-N 0 0 193.246 2.823 10 30 AFEERN C=C(C)CON=CCCSCC 844617751 583145060 /nfs/dbraw/zinc/14/50/60/583145060.db2.gz APYZHMVKRYEVOM-UHFFFAOYSA-N 0 0 187.308 2.708 10 30 AFEERN C=C(C)CON=CC1(C)CCC1 844618037 583145099 /nfs/dbraw/zinc/14/50/99/583145099.db2.gz HDZVAUAXHZZILN-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN C=C(C)CON=C(C)c1ccoc1 844618779 583145107 /nfs/dbraw/zinc/14/51/07/583145107.db2.gz HJLZFISFMFBOOG-UHFFFAOYSA-N 0 0 179.219 2.596 10 30 AFEERN C=C(C)CON=C1CC[C@H]1C1CC1 844619140 583145125 /nfs/dbraw/zinc/14/51/25/583145125.db2.gz BUHYFYHLXWQGFH-JTQLQIEISA-N 0 0 179.263 2.755 10 30 AFEERN C=C(C)CON=C(C)[C@]1(C)CCCO1 844617963 583145136 /nfs/dbraw/zinc/14/51/36/583145136.db2.gz FLPWTRMIOHSTII-NSHDSACASA-N 0 0 197.278 2.524 10 30 AFEERN C=C(C)CON=C(C)[C@@]1(C)CCCO1 844617962 583145153 /nfs/dbraw/zinc/14/51/53/583145153.db2.gz FLPWTRMIOHSTII-LLVKDONJSA-N 0 0 197.278 2.524 10 30 AFEERN C=C(C)CON=CC1CCCC1 844618668 583145187 /nfs/dbraw/zinc/14/51/87/583145187.db2.gz DKIONJQGVKICAX-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN C=C[C@@H](C)ON=C1CC[C@H]1C1CC1 844619884 583145284 /nfs/dbraw/zinc/14/52/84/583145284.db2.gz FJTFYTCIARKPHC-SCZZXKLOSA-N 0 0 179.263 2.754 10 30 AFEERN C=C[C@H](C)ON=C1CC[C@@H]1C(C)C 844620399 583145286 /nfs/dbraw/zinc/14/52/86/583145286.db2.gz KHGCXDJDNCULDL-VHSXEESVSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@H](C)ON=C1C[C@@H](C)[C@H]1C 844619660 583145292 /nfs/dbraw/zinc/14/52/92/583145292.db2.gz BXKOMXLSIYUVCT-HRDYMLBCSA-N 0 0 167.252 2.609 10 30 AFEERN C=C(C)CON=C[C@H](CC(C)C)OC 844619548 583145297 /nfs/dbraw/zinc/14/52/97/583145297.db2.gz ASCSHCLZDXGRFL-NSHDSACASA-N 0 0 199.294 2.626 10 30 AFEERN C=C(C)CON=C1C[C@H](C)[C@H]1C 844620391 583145303 /nfs/dbraw/zinc/14/53/03/583145303.db2.gz VMRMSVKOWSXVRG-DTWKUNHWSA-N 0 0 167.252 2.611 10 30 AFEERN C=C[C@H](C)ON=C1CC[C@H]1C1CC1 844619886 583145352 /nfs/dbraw/zinc/14/53/52/583145352.db2.gz FJTFYTCIARKPHC-WPRPVWTQSA-N 0 0 179.263 2.754 10 30 AFEERN C=C[C@@H](C)ON=C[C@@H](CC(C)C)OC 844619844 583145358 /nfs/dbraw/zinc/14/53/58/583145358.db2.gz DYTMERAIQXVEAA-GHMZBOCLSA-N 0 0 199.294 2.624 10 30 AFEERN C=C(C)CON=C(C)Cc1ccoc1 844620500 583145381 /nfs/dbraw/zinc/14/53/81/583145381.db2.gz WKHPBHABBGTIRC-UHFFFAOYSA-N 0 0 193.246 2.791 10 30 AFEERN C=C[C@H](C)ON=C(CC)[C@@H]1C[C@@H]1C 844619668 583145389 /nfs/dbraw/zinc/14/53/89/583145389.db2.gz CBPXNEQRPRXXFS-LPEHRKFASA-N 0 0 181.279 3.000 10 30 AFEERN C=C(C)CON=C[C@H]1CCCSC1 844619530 583145401 /nfs/dbraw/zinc/14/54/01/583145401.db2.gz GWWMAKDZMUAAGN-SNVBAGLBSA-N 0 0 199.319 2.708 10 30 AFEERN C=C[C@H](C)ON=C(CC)[C@@H]1C[C@H]1C 844619667 583145408 /nfs/dbraw/zinc/14/54/08/583145408.db2.gz CBPXNEQRPRXXFS-KXUCPTDWSA-N 0 0 181.279 3.000 10 30 AFEERN C=C(C)CON=C[C@@H]1CCCSC1 844619528 583145421 /nfs/dbraw/zinc/14/54/21/583145421.db2.gz GWWMAKDZMUAAGN-JTQLQIEISA-N 0 0 199.319 2.708 10 30 AFEERN C=C[C@@H](C)ON=C(C)[C@@H]1CC1(C)C 844619888 583145431 /nfs/dbraw/zinc/14/54/31/583145431.db2.gz FKMMIHJGLIDAOX-SCZZXKLOSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@H](C)ON=CCC(F)(F)F 844620026 583145451 /nfs/dbraw/zinc/14/54/51/583145451.db2.gz GHBWLMXZNDYECS-LURJTMIESA-N 0 0 181.157 2.516 10 30 AFEERN C=C[C@H](C)ON=C1C[C@H](C)[C@@H]1C 844619659 583145466 /nfs/dbraw/zinc/14/54/66/583145466.db2.gz BXKOMXLSIYUVCT-CIUDSAMLSA-N 0 0 167.252 2.609 10 30 AFEERN C=C[C@@H](C)ON=C[C@H](CC(C)C)OC 844619845 583145475 /nfs/dbraw/zinc/14/54/75/583145475.db2.gz DYTMERAIQXVEAA-MNOVXSKESA-N 0 0 199.294 2.624 10 30 AFEERN C=C[C@@H](C)ON=C1CC[C@@H]1C1CC1 844619883 583145478 /nfs/dbraw/zinc/14/54/78/583145478.db2.gz FJTFYTCIARKPHC-PSASIEDQSA-N 0 0 179.263 2.754 10 30 AFEERN C=C[C@H](C)ON=C1C[C@H]2C=C[C@@H]1CC2 844620237 583145484 /nfs/dbraw/zinc/14/54/84/583145484.db2.gz IOWZAONRNZXZDC-GARJFASQSA-N 0 0 191.274 2.920 10 30 AFEERN C=C[C@@H](C)ON=C1CC(C(C)C)C1 844619620 583145487 /nfs/dbraw/zinc/14/54/87/583145487.db2.gz BRPLXGAXDBLUFZ-YHMJZVADSA-N 0 0 181.279 3.000 10 30 AFEERN C=C(C)CON=C1C[C@@H](C)[C@H]1C 844620394 583145522 /nfs/dbraw/zinc/14/55/22/583145522.db2.gz VMRMSVKOWSXVRG-RKDXNWHRSA-N 0 0 167.252 2.611 10 30 AFEERN C=C[C@H](C)ON=C1CC(C(C)C)C1 844619618 583145527 /nfs/dbraw/zinc/14/55/27/583145527.db2.gz BRPLXGAXDBLUFZ-RGURZIINSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@H](C)ON=C(CC)[C@H]1C[C@@H]1C 844619666 583145533 /nfs/dbraw/zinc/14/55/33/583145533.db2.gz CBPXNEQRPRXXFS-GUBZILKMSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@@H](C)ON=C1CC[C@H]1C(C)C 844620401 583145538 /nfs/dbraw/zinc/14/55/38/583145538.db2.gz KHGCXDJDNCULDL-ZJUUUORDSA-N 0 0 181.279 3.000 10 30 AFEERN C=C(C)CON=C[C@@H](CC(C)C)OC 844619546 583145540 /nfs/dbraw/zinc/14/55/40/583145540.db2.gz ASCSHCLZDXGRFL-LLVKDONJSA-N 0 0 199.294 2.626 10 30 AFEERN C=C[C@H](C)ON=CC[C@@H](C)CC 844619995 583145551 /nfs/dbraw/zinc/14/55/51/583145551.db2.gz FMBDNCJJJFXBME-UWVGGRQHSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@@H](C)ON=C1C[C@H]2C=C[C@@H]1CC2 844620238 583145562 /nfs/dbraw/zinc/14/55/62/583145562.db2.gz IOWZAONRNZXZDC-OUAUKWLOSA-N 0 0 191.274 2.920 10 30 AFEERN C=C[C@H](C)ON=C(C)[C@H]1CC1(C)C 844619989 583145564 /nfs/dbraw/zinc/14/55/64/583145564.db2.gz FKMMIHJGLIDAOX-WCBMZHEXSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@@H](C)ON=C1CC2(CC2)C1 844619834 583145565 /nfs/dbraw/zinc/14/55/65/583145565.db2.gz DLCDZCXBEVDDDD-MRVPVSSYSA-N 0 0 165.236 2.508 10 30 AFEERN C=C(C)CON=C1C[C@H]2C=C[C@@H]1CC2 844620236 583145567 /nfs/dbraw/zinc/14/55/67/583145567.db2.gz IOCKJVIADCVDMV-WDEREUQCSA-N 0 0 191.274 2.921 10 30 AFEERN C=C[C@H](C)ON=C1CCC[C@@H]2C[C@H]12 844620218 583145569 /nfs/dbraw/zinc/14/55/69/583145569.db2.gz ICDSWRUJSJUWKW-AEJSXWLSSA-N 0 0 179.263 2.754 10 30 AFEERN C=C[C@H](C)ON=C(CC)[C@H]1C[C@H]1C 844619670 583145571 /nfs/dbraw/zinc/14/55/71/583145571.db2.gz CBPXNEQRPRXXFS-UTLUCORTSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@@H](C)ON=C(C)[C@H]1CC1(C)C 844619887 583145576 /nfs/dbraw/zinc/14/55/76/583145576.db2.gz FKMMIHJGLIDAOX-PSASIEDQSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@H](C)ON=C1CC[C@@H]1C1CC1 844619885 583145592 /nfs/dbraw/zinc/14/55/92/583145592.db2.gz FJTFYTCIARKPHC-WCBMZHEXSA-N 0 0 179.263 2.754 10 30 AFEERN C=C[C@H](C)ON=C1C[C@H](C)[C@H]1C 844619662 583145595 /nfs/dbraw/zinc/14/55/95/583145595.db2.gz BXKOMXLSIYUVCT-XHNCKOQMSA-N 0 0 167.252 2.609 10 30 AFEERN C=C(C)CON=C1C[C@@H](C)[C@@H]1C 844620389 583145602 /nfs/dbraw/zinc/14/56/02/583145602.db2.gz VMRMSVKOWSXVRG-BDAKNGLRSA-N 0 0 167.252 2.611 10 30 AFEERN C=C(C)CON=C(C)CC(F)(F)F 844619519 583145609 /nfs/dbraw/zinc/14/56/09/583145609.db2.gz GTGGAQPTFJKDBY-UHFFFAOYSA-N 0 0 195.184 2.907 10 30 AFEERN C=C[C@@H](C)ON=CC[C@H](C)CC 844619994 583145614 /nfs/dbraw/zinc/14/56/14/583145614.db2.gz FMBDNCJJJFXBME-NXEZZACHSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@H](C)ON=C(C)[C@@H]1CC1(C)C 844619990 583145655 /nfs/dbraw/zinc/14/56/55/583145655.db2.gz FKMMIHJGLIDAOX-WPRPVWTQSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@H](C)ON=C[C@H](CC(C)C)OC 844619846 583145670 /nfs/dbraw/zinc/14/56/70/583145670.db2.gz DYTMERAIQXVEAA-QWRGUYRKSA-N 0 0 199.294 2.624 10 30 AFEERN C=C[C@H](C)ON=C[C@@H](CC(C)C)OC 844619847 583145690 /nfs/dbraw/zinc/14/56/90/583145690.db2.gz DYTMERAIQXVEAA-WDEREUQCSA-N 0 0 199.294 2.624 10 30 AFEERN C=C[C@@H](C)ON=C1CC[C@@H]1C(C)C 844620396 583145701 /nfs/dbraw/zinc/14/57/01/583145701.db2.gz KHGCXDJDNCULDL-NXEZZACHSA-N 0 0 181.279 3.000 10 30 AFEERN C=C(C)CON=C1C[C@H](C)[C@@H]1C 844620392 583145705 /nfs/dbraw/zinc/14/57/05/583145705.db2.gz VMRMSVKOWSXVRG-IUCAKERBSA-N 0 0 167.252 2.611 10 30 AFEERN C=C[C@H](C)ON=C1C[C@@H](C)[C@@H]1C 844619661 583145711 /nfs/dbraw/zinc/14/57/11/583145711.db2.gz BXKOMXLSIYUVCT-VGMNWLOBSA-N 0 0 167.252 2.609 10 30 AFEERN C=C[C@@H](C)ON=CCC(F)(F)F 844620027 583145729 /nfs/dbraw/zinc/14/57/29/583145729.db2.gz GHBWLMXZNDYECS-ZCFIWIBFSA-N 0 0 181.157 2.516 10 30 AFEERN C=C[C@H](C)ON=Cc1ccsc1C 844620069 583145780 /nfs/dbraw/zinc/14/57/80/583145780.db2.gz HEVBGLJDVPWQFL-QMMMGPOBSA-N 0 0 195.287 2.982 10 30 AFEERN C=C[C@H](C)ON=C1CC[C@H]1C(C)C 844620398 583145805 /nfs/dbraw/zinc/14/58/05/583145805.db2.gz KHGCXDJDNCULDL-UWVGGRQHSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@@H](C)ON=Cc1ccsc1C 844620068 583145821 /nfs/dbraw/zinc/14/58/21/583145821.db2.gz HEVBGLJDVPWQFL-MRVPVSSYSA-N 0 0 195.287 2.982 10 30 AFEERN C=C[C@H](C)ON=C(C)CC1CC1 844621509 583145942 /nfs/dbraw/zinc/14/59/42/583145942.db2.gz IESXAHLHUKPVDJ-VIFPVBQESA-N 0 0 167.252 2.754 10 30 AFEERN C=C(C)CON=C(C)[C@H]1CC1(F)F 844621223 583145964 /nfs/dbraw/zinc/14/59/64/583145964.db2.gz WZPUIAUPKPQSMQ-MRVPVSSYSA-N 0 0 189.205 2.610 10 30 AFEERN C=C[C@@H](C)ON=C(C)[C@H]1CC1(F)F 844621284 583146006 /nfs/dbraw/zinc/14/60/06/583146006.db2.gz XULRCHKUMKXQEV-HTRCEHHLSA-N 0 0 189.205 2.609 10 30 AFEERN C=C[C@@H](C)ON=C(C)CC1CC1 844621508 583146018 /nfs/dbraw/zinc/14/60/18/583146018.db2.gz IESXAHLHUKPVDJ-SECBINFHSA-N 0 0 167.252 2.754 10 30 AFEERN C=C[C@H](C)ON=CCCSCC 844621471 583146145 /nfs/dbraw/zinc/14/61/45/583146145.db2.gz HMAYIDPHLBVWEC-VIFPVBQESA-N 0 0 187.308 2.707 10 30 AFEERN C=C[C@@H](C)ON=C1CC2(CCC2)C1 844621149 583146162 /nfs/dbraw/zinc/14/61/62/583146162.db2.gz FAEAOROBOOQCDQ-SECBINFHSA-N 0 0 179.263 2.898 10 30 AFEERN C=C(C)CON=Cc1csc(C)c1 844620572 583146169 /nfs/dbraw/zinc/14/61/69/583146169.db2.gz YEGDUXQLTZZNKP-UHFFFAOYSA-N 0 0 195.287 2.983 10 30 AFEERN C=C[C@H](C)ON=CC1CCCC1 844621375 583146217 /nfs/dbraw/zinc/14/62/17/583146217.db2.gz GSIMYYWZMKPVER-VIFPVBQESA-N 0 0 167.252 2.754 10 30 AFEERN C=C[C@H](C)ON=C(C)[C@@H]1CC1(F)F 844621287 583146220 /nfs/dbraw/zinc/14/62/20/583146220.db2.gz XULRCHKUMKXQEV-XPUUQOCRSA-N 0 0 189.205 2.609 10 30 AFEERN C=C[C@H](C)ON=C1CC2(CCC2)C1 844621236 583146229 /nfs/dbraw/zinc/14/62/29/583146229.db2.gz FAEAOROBOOQCDQ-VIFPVBQESA-N 0 0 179.263 2.898 10 30 AFEERN C=C[C@H](C)ON=CCCCC 844621511 583146238 /nfs/dbraw/zinc/14/62/38/583146238.db2.gz IFAHGMABTRLLLS-VIFPVBQESA-N 0 0 155.241 2.754 10 30 AFEERN C=C[C@@H](C)ON=Cc1csc(C)c1 844620662 583146278 /nfs/dbraw/zinc/14/62/78/583146278.db2.gz OAKRCXXAQMSSAQ-MRVPVSSYSA-N 0 0 195.287 2.982 10 30 AFEERN C=C[C@H](C)ON=Cc1csc(C)c1 844620663 583146287 /nfs/dbraw/zinc/14/62/87/583146287.db2.gz OAKRCXXAQMSSAQ-QMMMGPOBSA-N 0 0 195.287 2.982 10 30 AFEERN C=C(C)CON=C(C)[C@@H]1CC1(F)F 844621224 583146304 /nfs/dbraw/zinc/14/63/04/583146304.db2.gz WZPUIAUPKPQSMQ-QMMMGPOBSA-N 0 0 189.205 2.610 10 30 AFEERN C=C[C@@H](C)ON=C(C)C1CCC1 844621316 583146322 /nfs/dbraw/zinc/14/63/22/583146322.db2.gz GFEIXDSLVWABLN-MRVPVSSYSA-N 0 0 167.252 2.754 10 30 AFEERN C=C[C@@H](C)ON=CCCCC 844621510 583146357 /nfs/dbraw/zinc/14/63/57/583146357.db2.gz IFAHGMABTRLLLS-SECBINFHSA-N 0 0 155.241 2.754 10 30 AFEERN C=C[C@@H](C)ON=C(C)[C@@H]1CC1(F)F 844621286 583146360 /nfs/dbraw/zinc/14/63/60/583146360.db2.gz XULRCHKUMKXQEV-SVRRBLITSA-N 0 0 189.205 2.609 10 30 AFEERN C=C[C@@H](C)ON=CCCSCC 844621470 583146367 /nfs/dbraw/zinc/14/63/67/583146367.db2.gz HMAYIDPHLBVWEC-SECBINFHSA-N 0 0 187.308 2.707 10 30 AFEERN C=C[C@H](C)ON=C(C)C1CCC1 844621317 583146394 /nfs/dbraw/zinc/14/63/94/583146394.db2.gz GFEIXDSLVWABLN-QMMMGPOBSA-N 0 0 167.252 2.754 10 30 AFEERN C=C[C@H](C)ON=C(C)[C@H]1CC1(F)F 844621285 583146420 /nfs/dbraw/zinc/14/64/20/583146420.db2.gz XULRCHKUMKXQEV-POYBYMJQSA-N 0 0 189.205 2.609 10 30 AFEERN C=C[C@@H](C)ON=CC1CCCC1 844621374 583146422 /nfs/dbraw/zinc/14/64/22/583146422.db2.gz GSIMYYWZMKPVER-SECBINFHSA-N 0 0 167.252 2.754 10 30 AFEERN C=C[C@@H](C)ON=C(C)[C@H](C)CC 844622253 583146557 /nfs/dbraw/zinc/14/65/57/583146557.db2.gz BCWCTBGCKKIDFW-RKDXNWHRSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@@H](C)ON=Cc1ccc(C)cc1 844622363 583146614 /nfs/dbraw/zinc/14/66/14/583146614.db2.gz CMGWFJFJIQDJAI-LLVKDONJSA-N 0 0 189.258 2.920 10 30 AFEERN C=C[C@@H](C)ON=Cc1ccc(C)s1 844622594 583146662 /nfs/dbraw/zinc/14/66/62/583146662.db2.gz GVXFETXUCBTPGM-MRVPVSSYSA-N 0 0 195.287 2.982 10 30 AFEERN C=C[C@H](C)ON=C(C)c1ccco1 844622549 583146687 /nfs/dbraw/zinc/14/66/87/583146687.db2.gz FVVWJDPIMTYDEU-QMMMGPOBSA-N 0 0 179.219 2.595 10 30 AFEERN C=C[C@@H](C)ON=C[C@@H](C)CCC 844622352 583146689 /nfs/dbraw/zinc/14/66/89/583146689.db2.gz YCYCQVIEERQECU-VHSXEESVSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@H](C)ON=C(C)[C@@H](C)CC 844622252 583146745 /nfs/dbraw/zinc/14/67/45/583146745.db2.gz BCWCTBGCKKIDFW-IUCAKERBSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@H](C)ON=Cc1ccc(C)s1 844622595 583146756 /nfs/dbraw/zinc/14/67/56/583146756.db2.gz GVXFETXUCBTPGM-QMMMGPOBSA-N 0 0 195.287 2.982 10 30 AFEERN C=C[C@H](C)ON=C(C)C(C)C 844622597 583146791 /nfs/dbraw/zinc/14/67/91/583146791.db2.gz GXNSSOJWYQOIHA-QMMMGPOBSA-N 0 0 155.241 2.609 10 30 AFEERN C=C[C@@H](C)ON=Cc1ccc(C)o1 844622238 583146809 /nfs/dbraw/zinc/14/68/09/583146809.db2.gz AXFUWBIOXOSBIA-MRVPVSSYSA-N 0 0 179.219 2.513 10 30 AFEERN C=C[C@H](C)ON=C[C@@H](C)CCC 844622350 583146816 /nfs/dbraw/zinc/14/68/16/583146816.db2.gz YCYCQVIEERQECU-UWVGGRQHSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@@H](C)ON=C(C)c1ccco1 844622548 583146823 /nfs/dbraw/zinc/14/68/23/583146823.db2.gz FVVWJDPIMTYDEU-MRVPVSSYSA-N 0 0 179.219 2.595 10 30 AFEERN C=C[C@@H](C)ON=C(C)C(C)C 844622596 583146855 /nfs/dbraw/zinc/14/68/55/583146855.db2.gz GXNSSOJWYQOIHA-MRVPVSSYSA-N 0 0 155.241 2.609 10 30 AFEERN C=C[C@@H](C)ON=C[C@H](C)CCC 844622349 583146924 /nfs/dbraw/zinc/14/69/24/583146924.db2.gz YCYCQVIEERQECU-NXEZZACHSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@H](C)ON=Cc1ccc(C)o1 844622239 583146927 /nfs/dbraw/zinc/14/69/27/583146927.db2.gz AXFUWBIOXOSBIA-QMMMGPOBSA-N 0 0 179.219 2.513 10 30 AFEERN C=C[C@H](C)ON=C[C@H](C)CCC 844622353 583146937 /nfs/dbraw/zinc/14/69/37/583146937.db2.gz YCYCQVIEERQECU-ZJUUUORDSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@H](C)ON=C(C)[C@H](C)CC 844622250 583146947 /nfs/dbraw/zinc/14/69/47/583146947.db2.gz BCWCTBGCKKIDFW-BDAKNGLRSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@@H](C)ON=C(C)[C@@H](C)CC 844622251 583146970 /nfs/dbraw/zinc/14/69/70/583146970.db2.gz BCWCTBGCKKIDFW-DTWKUNHWSA-N 0 0 169.268 3.000 10 30 AFEERN C=C[C@H](C)ON=Cc1ccc(C)cc1 844622365 583146979 /nfs/dbraw/zinc/14/69/79/583146979.db2.gz CMGWFJFJIQDJAI-NSHDSACASA-N 0 0 189.258 2.920 10 30 AFEERN C=C[C@H](C)ON=C[C@H]1CC[C@@H](C)C1 844623578 583147140 /nfs/dbraw/zinc/14/71/40/583147140.db2.gz CSNXIIYFPARFML-VWYCJHECSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@@H](C)ON=C[C@]1(C)CCCS1 844624258 583147166 /nfs/dbraw/zinc/14/71/66/583147166.db2.gz HSINRYYDJJHLBV-ZJUUUORDSA-N 0 0 199.319 2.849 10 30 AFEERN C=C[C@H](C)ON=C1CCC[C@H]2C[C@@H]12 844624360 583147169 /nfs/dbraw/zinc/14/71/69/583147169.db2.gz ICDSWRUJSJUWKW-LPEHRKFASA-N 0 0 179.263 2.754 10 30 AFEERN C=C[C@@H](C)ON=C[C@H]1CCCSC1 844624237 583147219 /nfs/dbraw/zinc/14/72/19/583147219.db2.gz HKFISNMZUCRHMB-NXEZZACHSA-N 0 0 199.319 2.707 10 30 AFEERN C=C[C@H](C)ON=C[C@@H]1CC[C@H](C)C1 844623576 583147221 /nfs/dbraw/zinc/14/72/21/583147221.db2.gz CSNXIIYFPARFML-GARJFASQSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@H](C)ON=C[C@@H]1CCCSC1 844624238 583147238 /nfs/dbraw/zinc/14/72/38/583147238.db2.gz HKFISNMZUCRHMB-UWVGGRQHSA-N 0 0 199.319 2.707 10 30 AFEERN C=C[C@H](C)ON=C[C@H]1CC[C@H](C)C1 844623575 583147239 /nfs/dbraw/zinc/14/72/39/583147239.db2.gz CSNXIIYFPARFML-DCAQKATOSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@H](C)ON=C1CCC[C@H]1OCC 844623589 583147242 /nfs/dbraw/zinc/14/72/42/583147242.db2.gz CYQQOESMEHUXTB-GXSJLCMTSA-N 0 0 197.278 2.523 10 30 AFEERN C=C[C@@H](C)ON=C[C@@]1(C)CCCS1 844624255 583147290 /nfs/dbraw/zinc/14/72/90/583147290.db2.gz HSINRYYDJJHLBV-NXEZZACHSA-N 0 0 199.319 2.849 10 30 AFEERN C=C[C@@H](C)ON=CCC(C)C 844623527 583147341 /nfs/dbraw/zinc/14/73/41/583147341.db2.gz HMQQCOIXWQBZCC-SECBINFHSA-N 0 0 155.241 2.609 10 30 AFEERN C=C[C@H](C)ON=C[C@]1(C)CCCS1 844624256 583147343 /nfs/dbraw/zinc/14/73/43/583147343.db2.gz HSINRYYDJJHLBV-UWVGGRQHSA-N 0 0 199.319 2.849 10 30 AFEERN C=C[C@@H](C)ON=C1CCC[C@H]1OCC 844623591 583147346 /nfs/dbraw/zinc/14/73/46/583147346.db2.gz CYQQOESMEHUXTB-MWLCHTKSSA-N 0 0 197.278 2.523 10 30 AFEERN C=C[C@H](C)ON=CC1(OC)CCCC1 844624223 583147371 /nfs/dbraw/zinc/14/73/71/583147371.db2.gz HEFCLEYWBTZGLG-JTQLQIEISA-N 0 0 197.278 2.523 10 30 AFEERN C=C[C@@H](C)ON=C1CCC[C@H]2C[C@@H]12 844624357 583147368 /nfs/dbraw/zinc/14/73/68/583147368.db2.gz ICDSWRUJSJUWKW-KXUCPTDWSA-N 0 0 179.263 2.754 10 30 AFEERN C=C[C@@H](C)ON=C1CCC[C@@H]1OCC 844623590 583147386 /nfs/dbraw/zinc/14/73/86/583147386.db2.gz CYQQOESMEHUXTB-KOLCDFICSA-N 0 0 197.278 2.523 10 30 AFEERN C=C[C@H](C)ON=C[C@@H]1CC[C@@H](C)C1 844623577 583147414 /nfs/dbraw/zinc/14/74/14/583147414.db2.gz CSNXIIYFPARFML-OUAUKWLOSA-N 0 0 181.279 3.000 10 30 AFEERN C=C[C@H](C)ON=C1CCC[C@@H]1OCC 844623592 583147418 /nfs/dbraw/zinc/14/74/18/583147418.db2.gz CYQQOESMEHUXTB-ONGXEEELSA-N 0 0 197.278 2.523 10 30 AFEERN C=C[C@@H](C)ON=C[C@@H]1CCCSC1 844624240 583147421 /nfs/dbraw/zinc/14/74/21/583147421.db2.gz HKFISNMZUCRHMB-ZJUUUORDSA-N 0 0 199.319 2.707 10 30 AFEERN C=C[C@H](C)ON=C[C@@]1(C)CCCS1 844624257 583147449 /nfs/dbraw/zinc/14/74/49/583147449.db2.gz HSINRYYDJJHLBV-VHSXEESVSA-N 0 0 199.319 2.849 10 30 AFEERN C=C[C@H](C)ON=C[C@H]1CCCSC1 844624239 583147482 /nfs/dbraw/zinc/14/74/82/583147482.db2.gz HKFISNMZUCRHMB-VHSXEESVSA-N 0 0 199.319 2.707 10 30 AFEERN C=C[C@H](C)ON=CCC(C)C 844623528 583147504 /nfs/dbraw/zinc/14/75/04/583147504.db2.gz HMQQCOIXWQBZCC-VIFPVBQESA-N 0 0 155.241 2.609 10 30 AFEERN C=C[C@@H](C)ON=CC1(OC)CCCC1 844624224 583147545 /nfs/dbraw/zinc/14/75/45/583147545.db2.gz HEFCLEYWBTZGLG-SNVBAGLBSA-N 0 0 197.278 2.523 10 30 AFEERN C=C[C@@H](C)ON=CC1(C)CCC1 844626645 583147838 /nfs/dbraw/zinc/14/78/38/583147838.db2.gz ZBVSYWPWOQCCGO-SECBINFHSA-N 0 0 167.252 2.754 10 30 AFEERN C=CCCCC(=O)N[C@H](C)C(C)(C)C 844968429 583148074 /nfs/dbraw/zinc/14/80/74/583148074.db2.gz REUUUGQVLAYXTC-SNVBAGLBSA-N 0 0 197.322 2.894 10 30 AFEERN C=C[C@@H](C)ON=C(C)CC(F)(F)F 844626599 583147849 /nfs/dbraw/zinc/14/78/49/583147849.db2.gz XXNVLYVEMYKIEF-SSDOTTSWSA-N 0 0 195.184 2.906 10 30 AFEERN C=C[C@H](C)ON=CC1(C)CCC1 844626646 583147867 /nfs/dbraw/zinc/14/78/67/583147867.db2.gz ZBVSYWPWOQCCGO-VIFPVBQESA-N 0 0 167.252 2.754 10 30 AFEERN C=CCOC(=O)[C@@H]1C[C@H]1C1CCCC1 845341448 583149180 /nfs/dbraw/zinc/14/91/80/583149180.db2.gz VHIOFESXKRGVQS-WDEREUQCSA-N 0 0 194.274 2.542 10 30 AFEERN C=CCOC(=O)[C@H]1C[C@H]1C1CCCC1 845341447 583149269 /nfs/dbraw/zinc/14/92/69/583149269.db2.gz VHIOFESXKRGVQS-QWRGUYRKSA-N 0 0 194.274 2.542 10 30 AFEERN C=C(C)COC(=O)[C@H]1CC[C@H](C)CC1 845421435 583149492 /nfs/dbraw/zinc/14/94/92/583149492.db2.gz GCNOJAAYJMQQOH-XYPYZODXSA-N 0 0 196.290 2.932 10 30 AFEERN C#CCSc1nc(C(C)C)cs1 845326776 583149591 /nfs/dbraw/zinc/14/95/91/583149591.db2.gz DIUMZXSYPGKKSC-UHFFFAOYSA-N 0 0 197.328 2.992 10 30 AFEERN CCc1nc(SCC#N)sc1C 845323586 583149624 /nfs/dbraw/zinc/14/96/24/583149624.db2.gz FWTOSZPPUJXEJV-UHFFFAOYSA-N 0 0 198.316 2.630 10 30 AFEERN C=CCOC(=O)[C@@H]1C[C@@H]1C1CCCC1 845341444 583149627 /nfs/dbraw/zinc/14/96/27/583149627.db2.gz VHIOFESXKRGVQS-GHMZBOCLSA-N 0 0 194.274 2.542 10 30 AFEERN C=CCOC(=O)[C@H]1C[C@@H]1C1CCCC1 845341445 583149628 /nfs/dbraw/zinc/14/96/28/583149628.db2.gz VHIOFESXKRGVQS-MNOVXSKESA-N 0 0 194.274 2.542 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CC[C@H](C)CC1 845521629 583149954 /nfs/dbraw/zinc/14/99/54/583149954.db2.gz CZLCFDZYAMRNQW-DCAQKATOSA-N 0 0 196.290 2.930 10 30 AFEERN C#C[C@H](CC)OC(=O)C(C)(C)CCC 845516197 583150083 /nfs/dbraw/zinc/15/00/83/583150083.db2.gz FSZFMWJFNXJNAZ-SNVBAGLBSA-N 0 0 196.290 2.768 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H]1CC[C@H](C)CC1 845521630 583150198 /nfs/dbraw/zinc/15/01/98/583150198.db2.gz CZLCFDZYAMRNQW-GMTAPVOTSA-N 0 0 196.290 2.930 10 30 AFEERN C#C[C@@H](CC)OC(=O)C(C)(C)CCC 845516196 583150230 /nfs/dbraw/zinc/15/02/30/583150230.db2.gz FSZFMWJFNXJNAZ-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN CC[C@@H](OC(=O)CCCC#N)C(C)C 845849842 583151731 /nfs/dbraw/zinc/15/17/31/583151731.db2.gz COGAXIRFLIORSO-SNVBAGLBSA-N 0 0 197.278 2.658 10 30 AFEERN CC[C@H](OC(=O)CCCC#N)C(C)C 845849841 583151786 /nfs/dbraw/zinc/15/17/86/583151786.db2.gz COGAXIRFLIORSO-JTQLQIEISA-N 0 0 197.278 2.658 10 30 AFEERN C=C(C)CC[C@@H](C)OC(=O)CC 845864650 583152104 /nfs/dbraw/zinc/15/21/04/583152104.db2.gz GAOHHCSITFMECD-SECBINFHSA-N 0 0 170.252 2.684 10 30 AFEERN C=C(C)CC[C@H](C)OC(=O)C1CC1 845873219 583152145 /nfs/dbraw/zinc/15/21/45/583152145.db2.gz SBXYRNPPRWEGGD-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)CC[C@H](C)OC(=O)[C@@H]1C[C@H]1C 845866224 583152191 /nfs/dbraw/zinc/15/21/91/583152191.db2.gz NICPGPDGMAMRSI-OUAUKWLOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)CC[C@@H](C)OC(=O)C1CC1 845873217 583152221 /nfs/dbraw/zinc/15/22/21/583152221.db2.gz SBXYRNPPRWEGGD-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=C(C)CC[C@H](C)OC(=O)CC 845864651 583152225 /nfs/dbraw/zinc/15/22/25/583152225.db2.gz GAOHHCSITFMECD-VIFPVBQESA-N 0 0 170.252 2.684 10 30 AFEERN C=C(C)CC[C@@H](C)OC(=O)[C@H]1C[C@@H]1C 845867257 583152264 /nfs/dbraw/zinc/15/22/64/583152264.db2.gz NICPGPDGMAMRSI-AXFHLTTASA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)CC[C@@H](C)OC(=O)[C@@H]1C[C@H]1C 845866223 583152276 /nfs/dbraw/zinc/15/22/76/583152276.db2.gz NICPGPDGMAMRSI-GMTAPVOTSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)CC[C@H](C)OC(=O)[C@H]1C[C@@H]1C 845867259 583152320 /nfs/dbraw/zinc/15/23/20/583152320.db2.gz NICPGPDGMAMRSI-DCAQKATOSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)CC[C@@H](C)OC(=O)C(C)C 845871613 583152387 /nfs/dbraw/zinc/15/23/87/583152387.db2.gz WDWJALJHECKKPZ-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)CC[C@H](C)OC(=O)[C@@H]1C[C@@H]1C 845870458 583152500 /nfs/dbraw/zinc/15/25/00/583152500.db2.gz NICPGPDGMAMRSI-GARJFASQSA-N 0 0 196.290 2.930 10 30 AFEERN C=C(C)CC[C@H](C)OC(=O)C(C)C 845871611 583152511 /nfs/dbraw/zinc/15/25/11/583152511.db2.gz WDWJALJHECKKPZ-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=C(C)CC[C@H](C)OC(=O)[C@H]1C[C@H]1C 845870459 583152553 /nfs/dbraw/zinc/15/25/53/583152553.db2.gz NICPGPDGMAMRSI-VWYCJHECSA-N 0 0 196.290 2.930 10 30 AFEERN N#CCCCCC(=O)OC1CCCC1 846760841 583159606 /nfs/dbraw/zinc/15/96/06/583159606.db2.gz HMXUBENBOSFTGV-UHFFFAOYSA-N 0 0 195.262 2.556 10 30 AFEERN C=CCCCCCNC(=O)/C(C)=C\C 847183909 583162381 /nfs/dbraw/zinc/16/23/81/583162381.db2.gz DWKXAECEGPKHCG-WZUFQYTHSA-N 0 0 195.306 2.815 10 30 AFEERN C=CCCCCCNC(=O)C=C(C)C 847184003 583162255 /nfs/dbraw/zinc/16/22/55/583162255.db2.gz IKYGMPWRKHYQLK-UHFFFAOYSA-N 0 0 195.306 2.815 10 30 AFEERN C=CCCCCCNC(=O)/C(C)=C/C 847183908 583162295 /nfs/dbraw/zinc/16/22/95/583162295.db2.gz DWKXAECEGPKHCG-VZUCSPMQSA-N 0 0 195.306 2.815 10 30 AFEERN C=CCCCC(=O)N(CCC)C(C)C 847170460 583162364 /nfs/dbraw/zinc/16/23/64/583162364.db2.gz BLLBNCWBLJDAJA-UHFFFAOYSA-N 0 0 197.322 2.990 10 30 AFEERN C=C(C)[C@H](C)OC(=O)CCCCC#N 847681543 583163563 /nfs/dbraw/zinc/16/35/63/583163563.db2.gz NTBJLOMNQQIXQS-JTQLQIEISA-N 0 0 195.262 2.578 10 30 AFEERN CC[C@@H](C)COC(=O)CCCCC#N 847675501 583163571 /nfs/dbraw/zinc/16/35/71/583163571.db2.gz WULJJZHEYWFNNR-SNVBAGLBSA-N 0 0 197.278 2.660 10 30 AFEERN C=CCCCOC(=O)CCCCC#N 847655263 583163579 /nfs/dbraw/zinc/16/35/79/583163579.db2.gz BLCJKFTUNKNJES-UHFFFAOYSA-N 0 0 195.262 2.580 10 30 AFEERN C=C(C)CCOC(=O)CCCCC#N 847654058 583163594 /nfs/dbraw/zinc/16/35/94/583163594.db2.gz LFNNPPHYIAUZSF-UHFFFAOYSA-N 0 0 195.262 2.580 10 30 AFEERN C=C[C@H](CC)OC(=O)CCCCC#N 847674921 583163640 /nfs/dbraw/zinc/16/36/40/583163640.db2.gz LIUKQYHRCHUBCY-SNVBAGLBSA-N 0 0 195.262 2.578 10 30 AFEERN C=C[C@@H](CC)OC(=O)CCCCC#N 847674920 583163761 /nfs/dbraw/zinc/16/37/61/583163761.db2.gz LIUKQYHRCHUBCY-JTQLQIEISA-N 0 0 195.262 2.578 10 30 AFEERN CCC(CC)OC(=O)CCCCC#N 847663138 583163848 /nfs/dbraw/zinc/16/38/48/583163848.db2.gz ZRVDWINEWGGRAE-UHFFFAOYSA-N 0 0 197.278 2.802 10 30 AFEERN CCCCCOC(=O)CCCCC#N 847627606 583163879 /nfs/dbraw/zinc/16/38/79/583163879.db2.gz HKJLSMSKJGOKEB-UHFFFAOYSA-N 0 0 197.278 2.804 10 30 AFEERN CC[C@H](C)COC(=O)CCCCC#N 847675500 583163899 /nfs/dbraw/zinc/16/38/99/583163899.db2.gz WULJJZHEYWFNNR-JTQLQIEISA-N 0 0 197.278 2.660 10 30 AFEERN CC(C)CCOC(=O)CCCCC#N 847627054 583163965 /nfs/dbraw/zinc/16/39/65/583163965.db2.gz LFFDNLCWSLRKQA-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN C=C(C)[C@@H](C)OC(=O)CCCCC#N 847681544 583163977 /nfs/dbraw/zinc/16/39/77/583163977.db2.gz NTBJLOMNQQIXQS-SNVBAGLBSA-N 0 0 195.262 2.578 10 30 AFEERN CC(C)=CCOC(=O)CCCCC#N 847674906 583164007 /nfs/dbraw/zinc/16/40/07/583164007.db2.gz LDWOLQWZVXJKGW-UHFFFAOYSA-N 0 0 195.262 2.580 10 30 AFEERN C=C(CC)COC(=O)CCCCC#N 847721131 583164191 /nfs/dbraw/zinc/16/41/91/583164191.db2.gz DVDUDYKPNUSDSI-UHFFFAOYSA-N 0 0 195.262 2.580 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)C=C(C)C 847858742 583164268 /nfs/dbraw/zinc/16/42/68/583164268.db2.gz AIPPNZKISCCCEU-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)CCCC 847859196 583164614 /nfs/dbraw/zinc/16/46/14/583164614.db2.gz FBWIXRHIVPYSMD-LLVKDONJSA-N 0 0 196.290 2.912 10 30 AFEERN CCC[C@@H](C)OC(=O)CCCCC#N 847692260 583164635 /nfs/dbraw/zinc/16/46/35/583164635.db2.gz ZHTLSGKLVLLCIM-SNVBAGLBSA-N 0 0 197.278 2.802 10 30 AFEERN CCC[C@H](C)OC(=O)CCCCC#N 847692259 583164636 /nfs/dbraw/zinc/16/46/36/583164636.db2.gz ZHTLSGKLVLLCIM-JTQLQIEISA-N 0 0 197.278 2.802 10 30 AFEERN C#CCCC[C@H](C)OC(=O)C=C(C)C 847858745 583164861 /nfs/dbraw/zinc/16/48/61/583164861.db2.gz AIPPNZKISCCCEU-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)/C(C)=C\C 847865311 583164992 /nfs/dbraw/zinc/16/49/92/583164992.db2.gz SHRDMZJYULITAX-SDKXAQGSSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)/C(C)=C/C 847865308 583164994 /nfs/dbraw/zinc/16/49/94/583164994.db2.gz SHRDMZJYULITAX-CDCCAWJDSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCCC[C@H](C)OC(=O)CC1CC1 847861262 583165018 /nfs/dbraw/zinc/16/50/18/583165018.db2.gz WOSGLOZOQHWXGB-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)CC1CC1 847861263 583165030 /nfs/dbraw/zinc/16/50/30/583165030.db2.gz WOSGLOZOQHWXGB-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCC[C@H](C)OC(=O)/C(C)=C/C 847865310 583165047 /nfs/dbraw/zinc/16/50/47/583165047.db2.gz SHRDMZJYULITAX-RUYJGKKWSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCCC[C@H](C)OC(=O)/C(C)=C\C 847865313 583165067 /nfs/dbraw/zinc/16/50/67/583165067.db2.gz SHRDMZJYULITAX-YAEJEKNGSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)C1CCC1 847860631 583165074 /nfs/dbraw/zinc/16/50/74/583165074.db2.gz VDNKNYMQJCAIKV-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCC[C@H](C)OC(=O)[C@H](C)CC 847860491 583165083 /nfs/dbraw/zinc/16/50/83/583165083.db2.gz OCUXCZXZPSQJJF-MNOVXSKESA-N 0 0 196.290 2.768 10 30 AFEERN C#CCCC[C@H](C)OC(=O)CCCC 847859197 583165085 /nfs/dbraw/zinc/16/50/85/583165085.db2.gz FBWIXRHIVPYSMD-NSHDSACASA-N 0 0 196.290 2.912 10 30 AFEERN C#CCCC[C@H](C)OC(=O)CC(C)C 847860909 583165089 /nfs/dbraw/zinc/16/50/89/583165089.db2.gz YINFUBKVYMFQPK-NSHDSACASA-N 0 0 196.290 2.768 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)[C@H](C)CC 847860489 583165091 /nfs/dbraw/zinc/16/50/91/583165091.db2.gz OCUXCZXZPSQJJF-GHMZBOCLSA-N 0 0 196.290 2.768 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)[C@@H](C)CC 847860494 583165093 /nfs/dbraw/zinc/16/50/93/583165093.db2.gz OCUXCZXZPSQJJF-WDEREUQCSA-N 0 0 196.290 2.768 10 30 AFEERN C#CCCC[C@H](C)OC(=O)C1CCC1 847860629 583165108 /nfs/dbraw/zinc/16/51/08/583165108.db2.gz VDNKNYMQJCAIKV-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)CC(C)C 847860908 583165120 /nfs/dbraw/zinc/16/51/20/583165120.db2.gz YINFUBKVYMFQPK-LLVKDONJSA-N 0 0 196.290 2.768 10 30 AFEERN C#CCCC[C@H](C)OC(=O)[C@@H](C)CC 847860492 583165130 /nfs/dbraw/zinc/16/51/30/583165130.db2.gz OCUXCZXZPSQJJF-QWRGUYRKSA-N 0 0 196.290 2.768 10 30 AFEERN C#CCCC[C@H](C)OC(=O)CCC=C 847865303 583165132 /nfs/dbraw/zinc/16/51/32/583165132.db2.gz XAIDYSAUWTZJHY-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C#CCCC[C@H](C)OC(=O)C1(C)CC1 847865439 583165136 /nfs/dbraw/zinc/16/51/36/583165136.db2.gz URFVORCVOKBCJV-JTQLQIEISA-N 0 0 194.274 2.522 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)CCC=C 847865301 583165138 /nfs/dbraw/zinc/16/51/38/583165138.db2.gz XAIDYSAUWTZJHY-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C#CCCC[C@@H](C)OC(=O)C1(C)CC1 847865440 583165146 /nfs/dbraw/zinc/16/51/46/583165146.db2.gz URFVORCVOKBCJV-SNVBAGLBSA-N 0 0 194.274 2.522 10 30 AFEERN C=C[C@@H](C)ON=C1CC[C@H](C)SC1 848415748 583167955 /nfs/dbraw/zinc/16/79/55/583167955.db2.gz XQAKBJJACJLZCY-BDAKNGLRSA-N 0 0 199.319 2.849 10 30 AFEERN C=C[C@H](C)ON=C1CC[C@@H](C)SC1 848415749 583168072 /nfs/dbraw/zinc/16/80/72/583168072.db2.gz XQAKBJJACJLZCY-DTWKUNHWSA-N 0 0 199.319 2.849 10 30 AFEERN C[C@@H]1CCC(=NOCC2CC2)CS1 848409570 583168136 /nfs/dbraw/zinc/16/81/36/583168136.db2.gz BVLBMSHFIIGPKX-MRVPVSSYSA-N 0 0 199.319 2.685 10 30 AFEERN CC(C)ON=C1CC[C@@H](C)SC1 848412599 583168211 /nfs/dbraw/zinc/16/82/11/583168211.db2.gz WCDLOTFNLDXNNC-MRVPVSSYSA-N 0 0 187.308 2.683 10 30 AFEERN C=C(C)CON=C1CC[C@H](C)SC1 848413047 583168233 /nfs/dbraw/zinc/16/82/33/583168233.db2.gz IPSNORAQLZGRRF-VIFPVBQESA-N 0 0 199.319 2.851 10 30 AFEERN CCCON=C1CC[C@H](C)SC1 848413312 583168327 /nfs/dbraw/zinc/16/83/27/583168327.db2.gz OQEOEEKPPOOZGZ-QMMMGPOBSA-N 0 0 187.308 2.685 10 30 AFEERN C[C@@H]1CCC(=NOC2CCC2)CS1 848410823 583168469 /nfs/dbraw/zinc/16/84/69/583168469.db2.gz UJGMZDHKSYZLMP-MRVPVSSYSA-N 0 0 199.319 2.827 10 30 AFEERN C[C@H]1CCC(=NOC2CCC2)CS1 848410824 583168491 /nfs/dbraw/zinc/16/84/91/583168491.db2.gz UJGMZDHKSYZLMP-QMMMGPOBSA-N 0 0 199.319 2.827 10 30 AFEERN C=C(C)CON=C1CC[C@@H](C)SC1 848413046 583168535 /nfs/dbraw/zinc/16/85/35/583168535.db2.gz IPSNORAQLZGRRF-SECBINFHSA-N 0 0 199.319 2.851 10 30 AFEERN C=C[C@@H](C)ON=C1CC[C@@H](C)SC1 848415752 583168558 /nfs/dbraw/zinc/16/85/58/583168558.db2.gz XQAKBJJACJLZCY-RKDXNWHRSA-N 0 0 199.319 2.849 10 30 AFEERN C[C@H]1CCC(=NOCC2CC2)CS1 848409571 583168569 /nfs/dbraw/zinc/16/85/69/583168569.db2.gz BVLBMSHFIIGPKX-QMMMGPOBSA-N 0 0 199.319 2.685 10 30 AFEERN CC(C)ON=C1CC[C@H](C)SC1 848412600 583168599 /nfs/dbraw/zinc/16/85/99/583168599.db2.gz WCDLOTFNLDXNNC-QMMMGPOBSA-N 0 0 187.308 2.683 10 30 AFEERN C=C[C@H](C)ON=C1CC[C@H](C)SC1 848415751 583168606 /nfs/dbraw/zinc/16/86/06/583168606.db2.gz XQAKBJJACJLZCY-IUCAKERBSA-N 0 0 199.319 2.849 10 30 AFEERN CCCON=C1CC[C@@H](C)SC1 848413311 583168707 /nfs/dbraw/zinc/16/87/07/583168707.db2.gz OQEOEEKPPOOZGZ-MRVPVSSYSA-N 0 0 187.308 2.685 10 30 AFEERN C#CCCCSCc1coc(C)n1 848667475 583169984 /nfs/dbraw/zinc/16/99/84/583169984.db2.gz KTJOCSTWOBUIBM-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C=C(C)CN(CC)C(=O)/C=C/CCC 849207693 583179741 /nfs/dbraw/zinc/17/97/41/583179741.db2.gz HHYHISMULOQSGO-CMDGGOBGSA-N 0 0 195.306 2.767 10 30 AFEERN C=C(C)CN(CC)C(=O)/C=C\CCC 849207694 583180166 /nfs/dbraw/zinc/18/01/66/583180166.db2.gz HHYHISMULOQSGO-HJWRWDBZSA-N 0 0 195.306 2.767 10 30 AFEERN C=CCCC(=O)OCCC=C(C)C 849722913 583182297 /nfs/dbraw/zinc/18/22/97/583182297.db2.gz HTQYORPLETUROS-UHFFFAOYSA-N 0 0 182.263 2.852 10 30 AFEERN CCC(CC)COC(=O)[C@@H](C)CC#N 849850109 583183105 /nfs/dbraw/zinc/18/31/05/583183105.db2.gz IPZRASKAAUZXTJ-VIFPVBQESA-N 0 0 197.278 2.516 10 30 AFEERN C=C(C)COC(=O)[C@@H]1CCC[C@H]2C[C@H]21 849860119 583183136 /nfs/dbraw/zinc/18/31/36/583183136.db2.gz SLBVOCLIHAAQES-HBNTYKKESA-N 0 0 194.274 2.542 10 30 AFEERN C=CCOC(=O)[C@@](C)(F)CCCC 849845738 583183204 /nfs/dbraw/zinc/18/32/04/583183204.db2.gz IBJJPTMTKGFZEC-JTQLQIEISA-N 0 0 188.242 2.634 10 30 AFEERN C=CCOC(=O)[C@](C)(F)CCCC 849845739 583183340 /nfs/dbraw/zinc/18/33/40/583183340.db2.gz IBJJPTMTKGFZEC-SNVBAGLBSA-N 0 0 188.242 2.634 10 30 AFEERN C=C(C)COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 849860120 583183370 /nfs/dbraw/zinc/18/33/70/583183370.db2.gz SLBVOCLIHAAQES-MXWKQRLJSA-N 0 0 194.274 2.542 10 30 AFEERN CCC(CC)COC(=O)[C@H](C)CC#N 849850108 583183412 /nfs/dbraw/zinc/18/34/12/583183412.db2.gz IPZRASKAAUZXTJ-SECBINFHSA-N 0 0 197.278 2.516 10 30 AFEERN C=CCOC(=O)C1CCC2(CC1)CC2 850265408 583184302 /nfs/dbraw/zinc/18/43/02/583184302.db2.gz AXLDOCZWHPYBOE-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCCCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850263045 583184650 /nfs/dbraw/zinc/18/46/50/583184650.db2.gz FKLSSETYRCGFMX-URLYPYJESA-N 0 0 194.274 2.542 10 30 AFEERN C=C(CC)COC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850263971 583184654 /nfs/dbraw/zinc/18/46/54/583184654.db2.gz PNEFCFYZCAVCLJ-URLYPYJESA-N 0 0 194.274 2.542 10 30 AFEERN C=C(C)CCOC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 850264933 583184792 /nfs/dbraw/zinc/18/47/92/583184792.db2.gz VLSGWENVDSOBQJ-URLYPYJESA-N 0 0 194.274 2.542 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCC1(C)C 850969362 583187523 /nfs/dbraw/zinc/18/75/23/583187523.db2.gz QXRPKYITGYHXGU-IUCAKERBSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H]1CCC1(C)C 850969360 583187647 /nfs/dbraw/zinc/18/76/47/583187647.db2.gz QXRPKYITGYHXGU-BDAKNGLRSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H]1CCC1(C)C 850969363 583187653 /nfs/dbraw/zinc/18/76/53/583187653.db2.gz QXRPKYITGYHXGU-RKDXNWHRSA-N 0 0 182.263 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCC[C@H]2C[C@H]21 850969766 583187839 /nfs/dbraw/zinc/18/78/39/583187839.db2.gz WSUUXFAZYWCNCP-UKKRHICBSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 850969767 583187878 /nfs/dbraw/zinc/18/78/78/583187878.db2.gz WSUUXFAZYWCNCP-ZDCRXTMVSA-N 0 0 194.274 2.540 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CCC1(C)C 850969361 583187908 /nfs/dbraw/zinc/18/79/08/583187908.db2.gz QXRPKYITGYHXGU-DTWKUNHWSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@H]1CCCC[C@@H]1OC(C)=O 851140915 583188149 /nfs/dbraw/zinc/18/81/49/583188149.db2.gz DWBRADGTHIKENO-QWRGUYRKSA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@@H]1CCCC[C@H]1OC(C)=O 851140913 583188220 /nfs/dbraw/zinc/18/82/20/583188220.db2.gz DWBRADGTHIKENO-GHMZBOCLSA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@H]1CCCC[C@H]1OC(C)=O 851140916 583188271 /nfs/dbraw/zinc/18/82/71/583188271.db2.gz DWBRADGTHIKENO-WDEREUQCSA-N 0 0 182.263 2.684 10 30 AFEERN C=CCCC(=O)OC[C@H]1C[C@@H]2C[C@@H]2C1 851225362 583188434 /nfs/dbraw/zinc/18/84/34/583188434.db2.gz FMFHJDBKTPCUJZ-JGPRNRPPSA-N 0 0 194.274 2.542 10 30 AFEERN C=CC[C@@H]1CCCC[C@@H]1OC(C)=O 851140914 583188483 /nfs/dbraw/zinc/18/84/83/583188483.db2.gz DWBRADGTHIKENO-MNOVXSKESA-N 0 0 182.263 2.684 10 30 AFEERN CCCCCCN(C1CC1)[C@H](C)C#N 852478919 583207681 /nfs/dbraw/zinc/20/76/81/583207681.db2.gz AUZKIXSGLMAVAV-LLVKDONJSA-N 0 0 194.322 2.943 10 30 AFEERN CCCCCCN(C1CC1)[C@@H](C)C#N 852478920 583207760 /nfs/dbraw/zinc/20/77/60/583207760.db2.gz AUZKIXSGLMAVAV-NSHDSACASA-N 0 0 194.322 2.943 10 30 AFEERN CCCON=C[C@@H]1CC[C@@H]2C[C@@H]2C1 853368376 583222056 /nfs/dbraw/zinc/22/20/56/583222056.db2.gz IAUOVFLSNYHWFE-MXWKQRLJSA-N 0 0 181.279 2.835 10 30 AFEERN CCON=C[C@H](OC)C1CCCCC1 853286833 583218135 /nfs/dbraw/zinc/21/81/35/583218135.db2.gz VQCBLKODENZFHI-NSHDSACASA-N 0 0 199.294 2.604 10 30 AFEERN CON=CC1C2CC3CC(C2)CC1C3 853289897 583218264 /nfs/dbraw/zinc/21/82/64/583218264.db2.gz SWRBGGMYZSZREI-UHFFFAOYSA-N 0 0 193.290 2.691 10 30 AFEERN C(=NNC1CCCC1)[C@H]1C[C@@H]2C[C@@H]2C1 853301700 583218374 /nfs/dbraw/zinc/21/83/74/583218374.db2.gz MCJBGSDOJPHHJY-JGPRNRPPSA-N 0 0 192.306 2.551 10 30 AFEERN CON=C1CCCC(C)(C)CC1 853288690 583218514 /nfs/dbraw/zinc/21/85/14/583218514.db2.gz GFTBYBSVWSMHSW-UHFFFAOYSA-N 0 0 169.268 2.979 10 30 AFEERN CC[C@@H]1CCCC(=NOC)CC1 853288557 583218713 /nfs/dbraw/zinc/21/87/13/583218713.db2.gz FDXWIJBJKVEJFK-SECBINFHSA-N 0 0 169.268 2.979 10 30 AFEERN CCON=C[C@@H](OC)C1CCCCC1 853286832 583218721 /nfs/dbraw/zinc/21/87/21/583218721.db2.gz VQCBLKODENZFHI-LLVKDONJSA-N 0 0 199.294 2.604 10 30 AFEERN CC[C@H]1CCCC(=NOC)CC1 853288561 583218740 /nfs/dbraw/zinc/21/87/40/583218740.db2.gz FDXWIJBJKVEJFK-VIFPVBQESA-N 0 0 169.268 2.979 10 30 AFEERN CC[C@H](C)N=NC1CCCC12CC2 853337871 583219118 /nfs/dbraw/zinc/21/91/18/583219118.db2.gz VVAPWFMBJNTTMR-VIFPVBQESA-N 0 0 180.295 2.695 10 30 AFEERN CC(C)CNN=C1CCCC12CC2 853327566 583219128 /nfs/dbraw/zinc/21/91/28/583219128.db2.gz SCDGORAAHMUQGN-UHFFFAOYSA-N 0 0 180.295 2.552 10 30 AFEERN CSCCON=C1CCCC12CC2 853341502 583219156 /nfs/dbraw/zinc/21/91/56/583219156.db2.gz QVJWCYJGIMGGCH-UHFFFAOYSA-N 0 0 199.319 2.686 10 30 AFEERN C#CCN=NC1CCC[C@H](CC)CC1 853354276 583219163 /nfs/dbraw/zinc/21/91/63/583219163.db2.gz CHLGACVVGPRXOJ-NSHDSACASA-N 0 0 192.306 2.556 10 30 AFEERN CC[C@@H](C)NN=C1CCCC12CC2 853337870 583219295 /nfs/dbraw/zinc/21/92/95/583219295.db2.gz VVAPWFMBJNTTMR-SECBINFHSA-N 0 0 180.295 2.695 10 30 AFEERN CC[C@@H]1CC(=NOC2CCCC2)CO1 853327753 583219494 /nfs/dbraw/zinc/21/94/94/583219494.db2.gz CDSDGQBDZPDCEH-SNVBAGLBSA-N 0 0 197.278 2.501 10 30 AFEERN C(=NOC1CCCC1)[C@H]1C[C@@H]2C[C@@H]2C1 853327904 583219564 /nfs/dbraw/zinc/21/95/64/583219564.db2.gz GDUNNRKVXATTPG-JGPRNRPPSA-N 0 0 193.290 2.978 10 30 AFEERN CC[C@H]1CC(=NOC2CCCC2)CO1 853327751 583219639 /nfs/dbraw/zinc/21/96/39/583219639.db2.gz CDSDGQBDZPDCEH-JTQLQIEISA-N 0 0 197.278 2.501 10 30 AFEERN C=C[C@H](C)ON=CC1CCSCC1 853369061 583219978 /nfs/dbraw/zinc/21/99/78/583219978.db2.gz GRVFJFOREIPNIX-VIFPVBQESA-N 0 0 199.319 2.707 10 30 AFEERN C=C[C@@H](C)ON=CC1CCSCC1 853369059 583219940 /nfs/dbraw/zinc/21/99/40/583219940.db2.gz GRVFJFOREIPNIX-SECBINFHSA-N 0 0 199.319 2.707 10 30 AFEERN C(=NOC1CCC1)[C@H]1C[C@@H]2C[C@@H]2C1 853348196 583219941 /nfs/dbraw/zinc/21/99/41/583219941.db2.gz CQDVTPTZTKPKSU-ILWJIGKKSA-N 0 0 179.263 2.587 10 30 AFEERN C(=NOCC1CC1)[C@@H]1CC[C@H]2C[C@H]2C1 853349395 583219943 /nfs/dbraw/zinc/21/99/43/583219943.db2.gz WLZHKKLXBCPZOX-GRYCIOLGSA-N 0 0 193.290 2.835 10 30 AFEERN CC[C@H](C)CON=C1CO[C@H](CC)C1 853349617 583219968 /nfs/dbraw/zinc/21/99/68/583219968.db2.gz CPCHMFYREALEGZ-GXSJLCMTSA-N 0 0 199.294 2.604 10 30 AFEERN C1CSCCC(=NOCC2CC2)C1 853348566 583219984 /nfs/dbraw/zinc/21/99/84/583219984.db2.gz HFUWYUDJOJZCJJ-UHFFFAOYSA-N 0 0 199.319 2.686 10 30 AFEERN CC[C@H](C)CON=C1CO[C@@H](CC)C1 853349620 583220048 /nfs/dbraw/zinc/22/00/48/583220048.db2.gz CPCHMFYREALEGZ-ONGXEEELSA-N 0 0 199.294 2.604 10 30 AFEERN C#CC1CCC(=NO[C@@H](C)C=C)CC1 853369058 583220062 /nfs/dbraw/zinc/22/00/62/583220062.db2.gz GOTPMUVFALVEEK-VUWPPUDQSA-N 0 0 191.274 2.757 10 30 AFEERN CC[C@H]1CC(=NOC[C@H](C)CC)CO1 853349618 583220113 /nfs/dbraw/zinc/22/01/13/583220113.db2.gz CPCHMFYREALEGZ-KOLCDFICSA-N 0 0 199.294 2.604 10 30 AFEERN C#CCON=C1CCC[C@@H](CC)CC1 853347831 583220148 /nfs/dbraw/zinc/22/01/48/583220148.db2.gz RLHUGZYQJIISEX-LLVKDONJSA-N 0 0 193.290 2.983 10 30 AFEERN CC[C@@H](C)CON=C1CO[C@H](CC)C1 853349619 583220155 /nfs/dbraw/zinc/22/01/55/583220155.db2.gz CPCHMFYREALEGZ-MWLCHTKSSA-N 0 0 199.294 2.604 10 30 AFEERN C#CCON=C1CCC[C@H](CC)CC1 853347832 583220162 /nfs/dbraw/zinc/22/01/62/583220162.db2.gz RLHUGZYQJIISEX-NSHDSACASA-N 0 0 193.290 2.983 10 30 AFEERN C#CCON=C1CCCC(C)(C)CC1 853348072 583220166 /nfs/dbraw/zinc/22/01/66/583220166.db2.gz YTLTWCOGLLHKNY-UHFFFAOYSA-N 0 0 193.290 2.983 10 30 AFEERN C(=NOC1CCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 853348247 583220177 /nfs/dbraw/zinc/22/01/77/583220177.db2.gz DZDDWWHOMHIBDR-MXWKQRLJSA-N 0 0 193.290 2.978 10 30 AFEERN C(=NOC1CCC1)[C@@H]1CC[C@H]2C[C@H]2C1 853348248 583220322 /nfs/dbraw/zinc/22/03/22/583220322.db2.gz DZDDWWHOMHIBDR-OUAUKWLOSA-N 0 0 193.290 2.978 10 30 AFEERN C(=NOCC1CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 853349398 583220351 /nfs/dbraw/zinc/22/03/51/583220351.db2.gz WLZHKKLXBCPZOX-UTUOFQBUSA-N 0 0 193.290 2.835 10 30 AFEERN C1CSCCC(=NOC2CCC2)C1 853348067 583220361 /nfs/dbraw/zinc/22/03/61/583220361.db2.gz YKZPOFXQXMGILS-UHFFFAOYSA-N 0 0 199.319 2.829 10 30 AFEERN C1CC(ON=C2CCCC23CC3)C1 853348692 583220365 /nfs/dbraw/zinc/22/03/65/583220365.db2.gz MGRXNEUCNGEPDU-UHFFFAOYSA-N 0 0 179.263 2.876 10 30 AFEERN C=C(C)CNN=C1C[C@H]2CC[C@@H](C1)C2 853347062 583220450 /nfs/dbraw/zinc/22/04/50/583220450.db2.gz QPWDWYNMFNTLBR-PHIMTYICSA-N 0 0 192.306 2.718 10 30 AFEERN Cl/C=C/CON=CC1C[C@@H]2C[C@@H]2C1 853347740 583220473 /nfs/dbraw/zinc/22/04/73/583220473.db2.gz PBTCBWFDAKADQC-PVAOXHEVSA-N 0 0 199.681 2.787 10 30 AFEERN C1CC(=NOCC2CC2)C2(C1)CC2 853348912 583220501 /nfs/dbraw/zinc/22/05/01/583220501.db2.gz MVASWALRXKXQKI-UHFFFAOYSA-N 0 0 179.263 2.733 10 30 AFEERN Cl/C=C\CON=CC1C[C@@H]2C[C@@H]2C1 853347739 583220502 /nfs/dbraw/zinc/22/05/02/583220502.db2.gz PBTCBWFDAKADQC-NMWZKMNQSA-N 0 0 199.681 2.787 10 30 AFEERN COC1(C(C)=NOC2CCC2)CCC1 853348290 583220558 /nfs/dbraw/zinc/22/05/58/583220558.db2.gz GCFRHVWKIRDQNR-UHFFFAOYSA-N 0 0 197.278 2.501 10 30 AFEERN C#CC1CCC(=NOC(C)C)CC1 853353560 583220937 /nfs/dbraw/zinc/22/09/37/583220937.db2.gz FOLOEAFWBOKWNK-UHFFFAOYSA-N 0 0 179.263 2.591 10 30 AFEERN CC(C)ON=C1CCCSCC1 853354177 583220999 /nfs/dbraw/zinc/22/09/99/583220999.db2.gz YHUVIEGDMRMUQV-UHFFFAOYSA-N 0 0 187.308 2.685 10 30 AFEERN C=CCON=C1CCCC12CC2 853355062 583221123 /nfs/dbraw/zinc/22/11/23/583221123.db2.gz FQQHFIABYLAFND-UHFFFAOYSA-N 0 0 165.236 2.509 10 30 AFEERN C=CCON=C1C[C@H]2CC[C@@H](C1)C2 853355029 583221134 /nfs/dbraw/zinc/22/11/34/583221134.db2.gz DQDVOTVXFDVFGX-AOOOYVTPSA-N 0 0 179.263 2.755 10 30 AFEERN CC(C)ON=C1CCCC12CC2 853353575 583221149 /nfs/dbraw/zinc/22/11/49/583221149.db2.gz GCBQQDFZRBOBFH-UHFFFAOYSA-N 0 0 167.252 2.732 10 30 AFEERN C#CCNN=C1CCCC(C)(C)CC1 853354526 583221222 /nfs/dbraw/zinc/22/12/22/583221222.db2.gz MNRHOJOMQMUNGP-UHFFFAOYSA-N 0 0 192.306 2.556 10 30 AFEERN CC(C)ON=C[C@@H]1CC[C@@H]2C[C@@H]2C1 853353817 583221254 /nfs/dbraw/zinc/22/12/54/583221254.db2.gz MJHMTYLVHFTOMG-MXWKQRLJSA-N 0 0 181.279 2.833 10 30 AFEERN C#CCNN=C1CCC[C@@H](CC)CC1 853354275 583221290 /nfs/dbraw/zinc/22/12/90/583221290.db2.gz CHLGACVVGPRXOJ-LLVKDONJSA-N 0 0 192.306 2.556 10 30 AFEERN C=CCON=C[C@@H]1CC[C@H]2C[C@H]2C1 853354979 583221366 /nfs/dbraw/zinc/22/13/66/583221366.db2.gz CMJQEBYLUIWOKO-OUAUKWLOSA-N 0 0 179.263 2.611 10 30 AFEERN C(=NOCCC1CC1)[C@H]1C[C@@H]2C[C@@H]2C1 853351426 583221416 /nfs/dbraw/zinc/22/14/16/583221416.db2.gz GCPIEEGVYFWMTF-ZSBIGDGJSA-N 0 0 193.290 2.835 10 30 AFEERN C=CCON=C[C@@H]1CC[C@@H]2C[C@@H]2C1 853354977 583221603 /nfs/dbraw/zinc/22/16/03/583221603.db2.gz CMJQEBYLUIWOKO-MXWKQRLJSA-N 0 0 179.263 2.611 10 30 AFEERN CCOC1CCC(=NOC(C)C)CC1 853353593 583221625 /nfs/dbraw/zinc/22/16/25/583221625.db2.gz GPZUJBNCVGGFLG-UHFFFAOYSA-N 0 0 199.294 2.747 10 30 AFEERN CC(C)ON=C[C@@H]1CC[C@H]2C[C@H]2C1 853353818 583221680 /nfs/dbraw/zinc/22/16/80/583221680.db2.gz MJHMTYLVHFTOMG-OUAUKWLOSA-N 0 0 181.279 2.833 10 30 AFEERN C=C(C)CON=C[C@H]1C[C@@H]2C[C@@H]2C1 853368782 583221884 /nfs/dbraw/zinc/22/18/84/583221884.db2.gz BWOPFCGZSXIOKI-JGPRNRPPSA-N 0 0 179.263 2.611 10 30 AFEERN C=C[C@H](C)ON=C[C@@H]1CC[C@H]2C[C@H]2C1 853370075 583221911 /nfs/dbraw/zinc/22/19/11/583221911.db2.gz YPMHEQRJPVMJRO-WHOHXGKFSA-N 0 0 193.290 3.000 10 30 AFEERN CCCON=C[C@@H]1CC1(Cl)Cl 853368134 583221943 /nfs/dbraw/zinc/22/19/43/583221943.db2.gz CKZCPQLSHRSRQI-LURJTMIESA-N 0 0 196.077 2.593 10 30 AFEERN CCCON=C[C@@H]1CC[C@H]2C[C@H]2C1 853368377 583221971 /nfs/dbraw/zinc/22/19/71/583221971.db2.gz IAUOVFLSNYHWFE-OUAUKWLOSA-N 0 0 181.279 2.835 10 30 AFEERN CCCON=CC1CCSCC1 853368360 583221993 /nfs/dbraw/zinc/22/19/93/583221993.db2.gz HONHNLMNIWVHCS-UHFFFAOYSA-N 0 0 187.308 2.542 10 30 AFEERN CC(=NN1CCCC[C@H]1C)C(C)C 853378603 583222007 /nfs/dbraw/zinc/22/20/07/583222007.db2.gz IAPVOELPCYKBMX-SNVBAGLBSA-N 0 0 182.311 2.893 10 30 AFEERN C=C(C)CON=C1CCCC12CC2 853369759 583222023 /nfs/dbraw/zinc/22/20/23/583222023.db2.gz SCSPWMUROOFBGB-UHFFFAOYSA-N 0 0 179.263 2.899 10 30 AFEERN C=C[C@@H](C)ON=C[C@H]1C[C@@H]2C[C@@H]2C1 853370053 583222118 /nfs/dbraw/zinc/22/21/18/583222118.db2.gz YBTGHZUVMCQNRA-CHWFTXMASA-N 0 0 179.263 2.609 10 30 AFEERN C=C[C@@H](C)ON=C1CCCC12CC2 853369974 583222157 /nfs/dbraw/zinc/22/21/57/583222157.db2.gz XKXSCCLVVZDAJN-SECBINFHSA-N 0 0 179.263 2.898 10 30 AFEERN CCCON=C[C@H]1CC1(Cl)Cl 853368135 583222241 /nfs/dbraw/zinc/22/22/41/583222241.db2.gz CKZCPQLSHRSRQI-ZCFIWIBFSA-N 0 0 196.077 2.593 10 30 AFEERN CCCON=C1CCC(OCC)CC1 853368354 583222261 /nfs/dbraw/zinc/22/22/61/583222261.db2.gz HKNGJPDNRVHJEP-UHFFFAOYSA-N 0 0 199.294 2.748 10 30 AFEERN C=C[C@H](C)ON=C[C@H]1C[C@@H]2C[C@@H]2C1 853370056 583222320 /nfs/dbraw/zinc/22/23/20/583222320.db2.gz YBTGHZUVMCQNRA-MMWGEVLESA-N 0 0 179.263 2.609 10 30 AFEERN C#CC1CCC(=NOCCC)CC1 853368116 583222342 /nfs/dbraw/zinc/22/23/42/583222342.db2.gz CBFBWUZMBYZMFX-UHFFFAOYSA-N 0 0 179.263 2.592 10 30 AFEERN C=C[C@H](C)ON=C1CCCSCC1 853370569 583222348 /nfs/dbraw/zinc/22/23/48/583222348.db2.gz QGZPYWCOLBOXTG-VIFPVBQESA-N 0 0 199.319 2.851 10 30 AFEERN C#CC1CCC(=NO[C@H](C)C=C)CC1 853369056 583222373 /nfs/dbraw/zinc/22/23/73/583222373.db2.gz GOTPMUVFALVEEK-NFJWQWPMSA-N 0 0 191.274 2.757 10 30 AFEERN C=C[C@@H](C)ON=C1CCCSCC1 853370568 583222391 /nfs/dbraw/zinc/22/23/91/583222391.db2.gz QGZPYWCOLBOXTG-SECBINFHSA-N 0 0 199.319 2.851 10 30 AFEERN CCCON=C1CCCC12CC2 853368515 583222421 /nfs/dbraw/zinc/22/24/21/583222421.db2.gz LNMXFEURVRLJBX-UHFFFAOYSA-N 0 0 167.252 2.733 10 30 AFEERN C=C(C)CON=C(C)CC(C)(C)C#N 853368646 583222452 /nfs/dbraw/zinc/22/24/52/583222452.db2.gz AIFCUNNTWNCTSK-UHFFFAOYSA-N 0 0 194.278 2.895 10 30 AFEERN C[C@@H]1C(=NN2CCCC[C@@H]2C)C[C@H]1C 853381412 583222464 /nfs/dbraw/zinc/22/24/64/583222464.db2.gz CAJPYKKRYQOLDD-VWYCJHECSA-N 0 0 194.322 2.893 10 30 AFEERN C=C[C@H](C)ON=C(C)CC(C)(C)C#N 853369959 583222469 /nfs/dbraw/zinc/22/24/69/583222469.db2.gz BIFDHUGATQHUSW-JTQLQIEISA-N 0 0 194.278 2.893 10 30 AFEERN CC(=NN1CCCC[C@@H]1C)C(C)C 853378602 583222472 /nfs/dbraw/zinc/22/24/72/583222472.db2.gz IAPVOELPCYKBMX-JTQLQIEISA-N 0 0 182.311 2.893 10 30 AFEERN CCCON=C1CCCSCC1 853369340 583222481 /nfs/dbraw/zinc/22/24/81/583222481.db2.gz WUCRBHMZMAWJBU-UHFFFAOYSA-N 0 0 187.308 2.686 10 30 AFEERN C=C[C@H](C)ON=C1CCCC12CC2 853370025 583222528 /nfs/dbraw/zinc/22/25/28/583222528.db2.gz XKXSCCLVVZDAJN-VIFPVBQESA-N 0 0 179.263 2.898 10 30 AFEERN C=C[C@H](C)ON=C[C@@H]1CC[C@@H]2C[C@@H]2C1 853370073 583222593 /nfs/dbraw/zinc/22/25/93/583222593.db2.gz YPMHEQRJPVMJRO-QCNOEVLYSA-N 0 0 193.290 3.000 10 30 AFEERN C=C[C@@H](C)ON=C(C)CC(C)(C)C#N 853369960 583222600 /nfs/dbraw/zinc/22/26/00/583222600.db2.gz BIFDHUGATQHUSW-SNVBAGLBSA-N 0 0 194.278 2.893 10 30 AFEERN C[C@@H]1CCCCN1N=C1CC2(CC2)C1 853381402 583222897 /nfs/dbraw/zinc/22/28/97/583222897.db2.gz BYGKISYXOCFTFL-SNVBAGLBSA-N 0 0 192.306 2.791 10 30 AFEERN C[C@@H]1C(=NN2CCCC[C@H]2C)C[C@H]1C 853381410 583223012 /nfs/dbraw/zinc/22/30/12/583223012.db2.gz CAJPYKKRYQOLDD-MXWKQRLJSA-N 0 0 194.322 2.893 10 30 AFEERN C[C@@H]1CC(=NN2CCCC[C@H]2C)[C@@H]1C 853381409 583223278 /nfs/dbraw/zinc/22/32/78/583223278.db2.gz CAJPYKKRYQOLDD-GMTAPVOTSA-N 0 0 194.322 2.893 10 30 AFEERN C[C@H]1CCCCN1N=C1C[C@@H](C)[C@H]1C 853381411 583223313 /nfs/dbraw/zinc/22/33/13/583223313.db2.gz CAJPYKKRYQOLDD-OUAUKWLOSA-N 0 0 194.322 2.893 10 30 AFEERN C[C@H]1CCCCN1N=C1CC2(CC2)C1 853381401 583223354 /nfs/dbraw/zinc/22/33/54/583223354.db2.gz BYGKISYXOCFTFL-JTQLQIEISA-N 0 0 192.306 2.791 10 30 AFEERN CC1CC(=NN2CCCC[C@@H]2C)C1 853381365 583223386 /nfs/dbraw/zinc/22/33/86/583223386.db2.gz BESVEPLLXRDNIX-AXDSSHIGSA-N 0 0 180.295 2.647 10 30 AFEERN CC1CC(=NN2CCCC[C@H]2C)C1 853381366 583223435 /nfs/dbraw/zinc/22/34/35/583223435.db2.gz BESVEPLLXRDNIX-QVDQXJPCSA-N 0 0 180.295 2.647 10 30 AFEERN CC(=NOCC1CCC1)c1ccco1 853439293 583223799 /nfs/dbraw/zinc/22/37/99/583223799.db2.gz DBNYJJJPFJDLCX-UHFFFAOYSA-N 0 0 193.246 2.820 10 30 AFEERN CCCC=NOCC1CCC1 853439232 583223828 /nfs/dbraw/zinc/22/38/28/583223828.db2.gz GAOQXJQJBZPMGO-UHFFFAOYSA-N 0 0 155.241 2.589 10 30 AFEERN C(=NOCC1CCC1)c1ccsc1 853439282 583223843 /nfs/dbraw/zinc/22/38/43/583223843.db2.gz CVVWHYDKXSVXHU-UHFFFAOYSA-N 0 0 195.287 2.899 10 30 AFEERN CC[C@@](C)(C=NOCC1CCC1)OC 853440311 583223846 /nfs/dbraw/zinc/22/38/46/583223846.db2.gz CWAREOGYNAADRL-NSHDSACASA-N 0 0 199.294 2.604 10 30 AFEERN CC(COC(C)C)=NOCC1CCC1 853440407 583223850 /nfs/dbraw/zinc/22/38/50/583223850.db2.gz BZKMMQGDOGLGPB-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN CCC[C@@H](C=NOCC1CCC1)OC 853440276 583224020 /nfs/dbraw/zinc/22/40/20/583224020.db2.gz BIVTZYLMWCSEMH-NSHDSACASA-N 0 0 199.294 2.604 10 30 AFEERN CC[C@](C)(C=NOCC1CCC1)OC 853440310 583224026 /nfs/dbraw/zinc/22/40/26/583224026.db2.gz CWAREOGYNAADRL-LLVKDONJSA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)(C)C=NOCC1CCC1 853439167 583224028 /nfs/dbraw/zinc/22/40/28/583224028.db2.gz DTGFMCQWBPSQPD-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN C[C@@H]1CC(=NOCC2CCC2)[C@@H]1C 853441183 583224046 /nfs/dbraw/zinc/22/40/46/583224046.db2.gz PLHFRWLXEAJYRS-RKDXNWHRSA-N 0 0 181.279 2.835 10 30 AFEERN CC1(C)CC(=NOCC2CCC2)C1 853440567 583224190 /nfs/dbraw/zinc/22/41/90/583224190.db2.gz DNYSBTPQSKGXCJ-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN CC1(C)CCC1=NOCC1CCC1 853440604 583224198 /nfs/dbraw/zinc/22/41/98/583224198.db2.gz FNMHSHJSGASXLN-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN CCC[C@H](C=NOCC1CCC1)OC 853440275 583224200 /nfs/dbraw/zinc/22/42/00/583224200.db2.gz BIVTZYLMWCSEMH-LLVKDONJSA-N 0 0 199.294 2.604 10 30 AFEERN C[C@@H]1CCCC1=NOCC1CCC1 853439270 583224245 /nfs/dbraw/zinc/22/42/45/583224245.db2.gz CHCPNRGXURMCHS-SECBINFHSA-N 0 0 181.279 2.979 10 30 AFEERN CS[C@@H]1CCC1=NOCC1CCC1 853440306 583224252 /nfs/dbraw/zinc/22/42/52/583224252.db2.gz CSNDPTLDBLRPHY-SNVBAGLBSA-N 0 0 199.319 2.685 10 30 AFEERN CC[C@@H]1CCC1=NOCC1CCC1 853440755 583224315 /nfs/dbraw/zinc/22/43/15/583224315.db2.gz HPCJECDQKFSDQA-SNVBAGLBSA-N 0 0 181.279 2.979 10 30 AFEERN CC(C)CC=NOCC1CCC1 853439227 583224326 /nfs/dbraw/zinc/22/43/26/583224326.db2.gz AZXCGUKFNZAHSL-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN CC(=NOCC1CCC1)C(C)C 853439376 583224351 /nfs/dbraw/zinc/22/43/51/583224351.db2.gz FOYSZJJZQIVBIQ-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN CC(=NOCC1CCC1)C(F)(F)F 853440587 583224362 /nfs/dbraw/zinc/22/43/62/583224362.db2.gz FCQWNAZQBVFYFG-UHFFFAOYSA-N 0 0 195.184 2.741 10 30 AFEERN CC[C@H]1CCC1=NOCC1CCC1 853440754 583224371 /nfs/dbraw/zinc/22/43/71/583224371.db2.gz HPCJECDQKFSDQA-JTQLQIEISA-N 0 0 181.279 2.979 10 30 AFEERN C[C@H]1CC(=NOCC2CCC2)[C@H]1C 853441182 583224372 /nfs/dbraw/zinc/22/43/72/583224372.db2.gz PLHFRWLXEAJYRS-IUCAKERBSA-N 0 0 181.279 2.835 10 30 AFEERN CS[C@H]1CCC1=NOCC1CCC1 853440305 583224397 /nfs/dbraw/zinc/22/43/97/583224397.db2.gz CSNDPTLDBLRPHY-JTQLQIEISA-N 0 0 199.319 2.685 10 30 AFEERN C[C@H]1CC(=NOCC2CCC2)[C@@H]1C 853441180 583224423 /nfs/dbraw/zinc/22/44/23/583224423.db2.gz PLHFRWLXEAJYRS-DTWKUNHWSA-N 0 0 181.279 2.835 10 30 AFEERN CCC(=NOCC1CCC1)C1CC1 853439223 583224452 /nfs/dbraw/zinc/22/44/52/583224452.db2.gz FVSXFJUTIAVWHA-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C[C@H]1CCCC1=NOCC1CCC1 853439271 583224480 /nfs/dbraw/zinc/22/44/80/583224480.db2.gz CHCPNRGXURMCHS-VIFPVBQESA-N 0 0 181.279 2.979 10 30 AFEERN CSC1(C=NOCC2CCC2)CC1 853440637 583224482 /nfs/dbraw/zinc/22/44/82/583224482.db2.gz GTBLKZBXLLOBEE-UHFFFAOYSA-N 0 0 199.319 2.685 10 30 AFEERN CCSCC=NOCC1CCC1 853441441 583224789 /nfs/dbraw/zinc/22/47/89/583224789.db2.gz UYKYCEDIMSFBPT-UHFFFAOYSA-N 0 0 187.308 2.542 10 30 AFEERN C1CSCC(=NOCC2CCC2)C1 853441328 583224832 /nfs/dbraw/zinc/22/48/32/583224832.db2.gz VXXZVFFTVCDUIV-UHFFFAOYSA-N 0 0 199.319 2.686 10 30 AFEERN C[C@@H]1C(=NOCC2CCC2)C[C@H]1C 853441178 583225379 /nfs/dbraw/zinc/22/53/79/583225379.db2.gz PLHFRWLXEAJYRS-BDAKNGLRSA-N 0 0 181.279 2.835 10 30 AFEERN C(=NOCC1CCC1)[C@H]1C[C@@H]2C[C@@H]2C1 853441510 583225546 /nfs/dbraw/zinc/22/55/46/583225546.db2.gz ZJSDZFDNIVGGEJ-ZSBIGDGJSA-N 0 0 193.290 2.835 10 30 AFEERN C1CC(=NOC[C@H]2C[C@@H]3C[C@@H]3C2)C1 853670428 583228365 /nfs/dbraw/zinc/22/83/65/583228365.db2.gz WWYSAKCISJSVTQ-ILWJIGKKSA-N 0 0 179.263 2.589 10 30 AFEERN C#CCCSC[C@H]1C[C@@H]2C[C@@H]2C1 853792887 583232464 /nfs/dbraw/zinc/23/24/64/583232464.db2.gz HSIRVCZFQHSKJU-JGPRNRPPSA-N 0 0 180.316 2.789 10 30 AFEERN CC(C)[C@@H](C)ON=C1CCC1 853670456 583228416 /nfs/dbraw/zinc/22/84/16/583228416.db2.gz XXWIYVFXZAFTGO-MRVPVSSYSA-N 0 0 155.241 2.587 10 30 AFEERN CC1(CON=C2CCC2)CCC1 853669218 583228554 /nfs/dbraw/zinc/22/85/54/583228554.db2.gz FMVTZQKHGAXQFQ-UHFFFAOYSA-N 0 0 167.252 2.733 10 30 AFEERN C1CC(=NOC[C@@H]2CC[C@H]3C[C@H]3C2)C1 853669975 583228579 /nfs/dbraw/zinc/22/85/79/583228579.db2.gz PXBNPBHFWRLUNU-OUAUKWLOSA-N 0 0 193.290 2.979 10 30 AFEERN Cc1ccc(CON=CC2CC2)cc1 853736524 583231704 /nfs/dbraw/zinc/23/17/04/583231704.db2.gz FEIAGNIGBMKWQV-UHFFFAOYSA-N 0 0 189.258 2.907 10 30 AFEERN CC(C)[C@H](C)ON=C1CCC1 853670457 583228748 /nfs/dbraw/zinc/22/87/48/583228748.db2.gz XXWIYVFXZAFTGO-QMMMGPOBSA-N 0 0 155.241 2.587 10 30 AFEERN CC(C)=CCCON=C1CCC1 853669053 583228754 /nfs/dbraw/zinc/22/87/54/583228754.db2.gz CEEISZAVNIYLMA-UHFFFAOYSA-N 0 0 167.252 2.899 10 30 AFEERN C1CC(=NOC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 853669974 583228770 /nfs/dbraw/zinc/22/87/70/583228770.db2.gz PXBNPBHFWRLUNU-MXWKQRLJSA-N 0 0 193.290 2.979 10 30 AFEERN C=C(Cl)Cn1ncc(Cl)c1C 853680569 583229052 /nfs/dbraw/zinc/22/90/52/583229052.db2.gz GKHSTTOWISRSAA-UHFFFAOYSA-N 0 0 191.061 2.597 10 30 AFEERN C=C(Cl)Cn1ccc(C(C)(C)C)n1 853704126 583229384 /nfs/dbraw/zinc/22/93/84/583229384.db2.gz COVAYUPOGWWJBL-UHFFFAOYSA-N 0 0 198.697 2.933 10 30 AFEERN CCCCCCCCn1cc(C)nn1 853718347 583229400 /nfs/dbraw/zinc/22/94/00/583229400.db2.gz GPTPCTZGVSRNMN-UHFFFAOYSA-N 0 0 195.310 2.947 10 30 AFEERN CCCCCCCOc1ccnnc1 853714353 583229872 /nfs/dbraw/zinc/22/98/72/583229872.db2.gz YRZUXTMHRJMRKV-UHFFFAOYSA-N 0 0 194.278 2.826 10 30 AFEERN CCCCCCCn1cnc(C)n1 853718348 583229973 /nfs/dbraw/zinc/22/99/73/583229973.db2.gz GRCCRSRJEGQMET-UHFFFAOYSA-N 0 0 181.283 2.557 10 30 AFEERN CC1(CON=CC2CC2)CCC1 853735843 583230252 /nfs/dbraw/zinc/23/02/52/583230252.db2.gz BNMNVHZJGHAZCO-UHFFFAOYSA-N 0 0 167.252 2.589 10 30 AFEERN CC(C)=CCCON=CC1CC1 853735990 583230297 /nfs/dbraw/zinc/23/02/97/583230297.db2.gz HPKSLCGBCCEYKS-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN C=C(Cl)Cn1cc(C2CC2)cn1 853730917 583230434 /nfs/dbraw/zinc/23/04/34/583230434.db2.gz KAFRQTAKOPJIME-UHFFFAOYSA-N 0 0 182.654 2.513 10 30 AFEERN C(=NOC[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 853735914 583230446 /nfs/dbraw/zinc/23/04/46/583230446.db2.gz DYGFPSPQWFNHIA-UTUOFQBUSA-N 0 0 193.290 2.835 10 30 AFEERN CC(C)CCCON=CC1CC1 853735885 583230500 /nfs/dbraw/zinc/23/05/00/583230500.db2.gz DCYAUCJNCJEJQM-UHFFFAOYSA-N 0 0 169.268 2.835 10 30 AFEERN C(=NOCC1CCCC1)C1CC1 853734321 583230568 /nfs/dbraw/zinc/23/05/68/583230568.db2.gz AGQWQZJJMSIOBU-UHFFFAOYSA-N 0 0 167.252 2.589 10 30 AFEERN C(=NOC[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 853735912 583230591 /nfs/dbraw/zinc/23/05/91/583230591.db2.gz DYGFPSPQWFNHIA-GRYCIOLGSA-N 0 0 193.290 2.835 10 30 AFEERN CC(C)SCCON=CC1CC1 853735817 583230885 /nfs/dbraw/zinc/23/08/85/583230885.db2.gz AQQHKANFHPOHPQ-UHFFFAOYSA-N 0 0 187.308 2.540 10 30 AFEERN C(=NOCC12CCC(CC1)C2)C1CC1 853735947 583230897 /nfs/dbraw/zinc/23/08/97/583230897.db2.gz GAUWTDDYMOEADB-UHFFFAOYSA-N 0 0 193.290 2.979 10 30 AFEERN CC(C)=CCCON=C[C@H]1CCCO1 853750225 583231294 /nfs/dbraw/zinc/23/12/94/583231294.db2.gz MKOQDBOFPXQGSA-LLVKDONJSA-N 0 0 197.278 2.524 10 30 AFEERN CC(C)C[C@@H](C)ON=C[C@H]1CCCO1 853752263 583231590 /nfs/dbraw/zinc/23/15/90/583231590.db2.gz SOLYYBGACGPPMZ-GHMZBOCLSA-N 0 0 199.294 2.602 10 30 AFEERN CC(C)CCCON=C[C@H]1CCCO1 853749791 583231320 /nfs/dbraw/zinc/23/13/20/583231320.db2.gz CKKULYOXYZIOFB-LLVKDONJSA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)C[C@@H](C)ON=C[C@@H]1CCCO1 853752264 583231340 /nfs/dbraw/zinc/23/13/40/583231340.db2.gz SOLYYBGACGPPMZ-MNOVXSKESA-N 0 0 199.294 2.602 10 30 AFEERN CC/C=C/CCON=C[C@@H]1CCCO1 853751550 583231358 /nfs/dbraw/zinc/23/13/58/583231358.db2.gz IHZAFWQFPUOTJL-ZMOGVEALSA-N 0 0 197.278 2.524 10 30 AFEERN CC/C=C\CCON=C[C@@H]1CCCO1 853751547 583231444 /nfs/dbraw/zinc/23/14/44/583231444.db2.gz IHZAFWQFPUOTJL-FFMWFZHBSA-N 0 0 197.278 2.524 10 30 AFEERN CCCCCCON=C[C@H]1CCCO1 853751094 583231452 /nfs/dbraw/zinc/23/14/52/583231452.db2.gz CQZRQMZHXCKKKJ-LLVKDONJSA-N 0 0 199.294 2.748 10 30 AFEERN CC(C)(C)CCON=C[C@H]1CCCO1 853751900 583231458 /nfs/dbraw/zinc/23/14/58/583231458.db2.gz NDFXJQANMDKZQI-SNVBAGLBSA-N 0 0 199.294 2.604 10 30 AFEERN CCC(CC)CON=C[C@@H]1CCCO1 853749992 583231466 /nfs/dbraw/zinc/23/14/66/583231466.db2.gz HLWIVQWMCRMECE-NSHDSACASA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)=CCCON=C[C@@H]1CCCO1 853750226 583231472 /nfs/dbraw/zinc/23/14/72/583231472.db2.gz MKOQDBOFPXQGSA-NSHDSACASA-N 0 0 197.278 2.524 10 30 AFEERN C=C(C)CSCc1cnoc1C 853768342 583231482 /nfs/dbraw/zinc/23/14/82/583231482.db2.gz AHRNPHNDZCBBIB-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN CC(C)C[C@H](C)ON=C[C@@H]1CCCO1 853752265 583231486 /nfs/dbraw/zinc/23/14/86/583231486.db2.gz SOLYYBGACGPPMZ-QWRGUYRKSA-N 0 0 199.294 2.602 10 30 AFEERN CC(C)C[C@H](C)ON=C[C@H]1CCCO1 853752266 583231508 /nfs/dbraw/zinc/23/15/08/583231508.db2.gz SOLYYBGACGPPMZ-WDEREUQCSA-N 0 0 199.294 2.602 10 30 AFEERN C=CCCCCON=C[C@@H]1CCCO1 853750515 583231524 /nfs/dbraw/zinc/23/15/24/583231524.db2.gz QRJCWAINKRHUQR-NSHDSACASA-N 0 0 197.278 2.524 10 30 AFEERN CC(C)CCCON=C[C@@H]1CCCO1 853749792 583231531 /nfs/dbraw/zinc/23/15/31/583231531.db2.gz CKKULYOXYZIOFB-NSHDSACASA-N 0 0 199.294 2.604 10 30 AFEERN CCCCCCON=C[C@@H]1CCCO1 853751095 583231583 /nfs/dbraw/zinc/23/15/83/583231583.db2.gz CQZRQMZHXCKKKJ-NSHDSACASA-N 0 0 199.294 2.748 10 30 AFEERN C=CCCCCON=C[C@H]1CCCO1 853750514 583231611 /nfs/dbraw/zinc/23/16/11/583231611.db2.gz QRJCWAINKRHUQR-LLVKDONJSA-N 0 0 197.278 2.524 10 30 AFEERN CC/C=C\CCON=C[C@H]1CCCO1 853751549 583231630 /nfs/dbraw/zinc/23/16/30/583231630.db2.gz IHZAFWQFPUOTJL-UZGISFGWSA-N 0 0 197.278 2.524 10 30 AFEERN CCC(CC)CON=C[C@H]1CCCO1 853749991 583231641 /nfs/dbraw/zinc/23/16/41/583231641.db2.gz HLWIVQWMCRMECE-LLVKDONJSA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)(C)CCON=C[C@@H]1CCCO1 853751899 583231724 /nfs/dbraw/zinc/23/17/24/583231724.db2.gz NDFXJQANMDKZQI-JTQLQIEISA-N 0 0 199.294 2.604 10 30 AFEERN CC/C=C/CCON=C[C@H]1CCCO1 853751548 583231744 /nfs/dbraw/zinc/23/17/44/583231744.db2.gz IHZAFWQFPUOTJL-KSSNNYHQSA-N 0 0 197.278 2.524 10 30 AFEERN Cc1oncc1CSCCCC#N 853786515 583232109 /nfs/dbraw/zinc/23/21/09/583232109.db2.gz FDGHLYHXVITAQK-UHFFFAOYSA-N 0 0 196.275 2.520 10 30 AFEERN C=C(C)CCSCCOC(F)F 853773823 583232166 /nfs/dbraw/zinc/23/21/66/583232166.db2.gz NASLUXIBFAJEDS-UHFFFAOYSA-N 0 0 196.262 2.925 10 30 AFEERN C=CCCCSCCOC(F)F 853767365 583232272 /nfs/dbraw/zinc/23/22/72/583232272.db2.gz NXMHFRFBJRGBRW-UHFFFAOYSA-N 0 0 196.262 2.925 10 30 AFEERN C#CCCCSCc1cncs1 853770680 583232508 /nfs/dbraw/zinc/23/25/08/583232508.db2.gz NPTHTUVHDIHSGA-UHFFFAOYSA-N 0 0 197.328 2.790 10 30 AFEERN C=CCCSCCOC(F)F 853766839 583232586 /nfs/dbraw/zinc/23/25/86/583232586.db2.gz BOSAUPNIFYCLEL-UHFFFAOYSA-N 0 0 182.235 2.535 10 30 AFEERN C=CCCSCc1cnoc1C 853767066 583232603 /nfs/dbraw/zinc/23/26/03/583232603.db2.gz GRFDBRXBZDMDKZ-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN C=C(CC)CSCCOC(F)F 853771004 583232611 /nfs/dbraw/zinc/23/26/11/583232611.db2.gz SJEZIXMNPGMNCU-UHFFFAOYSA-N 0 0 196.262 2.925 10 30 AFEERN C=C(Cl)CSCC1(C#N)CC1 853783022 583232618 /nfs/dbraw/zinc/23/26/18/583232618.db2.gz DWAXBOMSCSIFOQ-UHFFFAOYSA-N 0 0 187.695 2.776 10 30 AFEERN C=C(C)CSCCOC(F)F 853768798 583232721 /nfs/dbraw/zinc/23/27/21/583232721.db2.gz UOEKARGDEMGVQZ-UHFFFAOYSA-N 0 0 182.235 2.535 10 30 AFEERN C=CCCOC(=O)C1CCC(=C)CC1 885649615 583233229 /nfs/dbraw/zinc/23/32/29/583233229.db2.gz DDWHQODKTDHJRK-UHFFFAOYSA-N 0 0 194.274 2.852 10 30 AFEERN C=C(C)c1ccc2c(c1)CC[C@@H]2O 112977080 583244504 /nfs/dbraw/zinc/24/45/04/583244504.db2.gz BIPWAVOFFWTYKE-LBPRGKRZSA-N 0 0 174.243 2.699 10 30 AFEERN C#CCCn1cc(-c2ccccc2)cn1 113132866 583245750 /nfs/dbraw/zinc/24/57/50/583245750.db2.gz FYGKGLQXGVDKIZ-UHFFFAOYSA-N 0 0 196.253 2.573 10 30 AFEERN C#CCCn1cnc2cc(C)c(C)cc21 113273083 583247086 /nfs/dbraw/zinc/24/70/86/583247086.db2.gz HLDKJQATOXMMAO-UHFFFAOYSA-N 0 0 198.269 2.676 10 30 AFEERN C=CCCCC(=O)NC1CC(C)(C)C1 856337330 583257070 /nfs/dbraw/zinc/25/70/70/583257070.db2.gz KXFRDNZJEDJDDO-UHFFFAOYSA-N 0 0 195.306 2.648 10 30 AFEERN C=C(C)c1ccc(N(C)C)cc1 114209716 583257886 /nfs/dbraw/zinc/25/78/86/583257886.db2.gz ICJAPNILFPXKDV-UHFFFAOYSA-N 0 0 161.248 2.786 10 30 AFEERN CCCCCCCCc1cc(N)n[nH]1 114576525 583259099 /nfs/dbraw/zinc/25/90/99/583259099.db2.gz FIICKQBVTBVOSH-UHFFFAOYSA-N 0 0 195.310 2.895 10 30 AFEERN C#CC1(O)CC(C)(C)CC(C)(C)C1 114862884 583260757 /nfs/dbraw/zinc/26/07/57/583260757.db2.gz HCPOYBYENQYVTB-UHFFFAOYSA-N 0 0 180.291 2.587 10 30 AFEERN C=C(CC)COC(=O)C1(C2CC2)CC1 885732771 583266774 /nfs/dbraw/zinc/26/67/74/583266774.db2.gz HXLJUNROPJKPOM-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN C=C(C)COC(=O)[C@H]1CCCC12CC2 860173444 583284107 /nfs/dbraw/zinc/28/41/07/583284107.db2.gz CIFCSXWPOXDELR-SNVBAGLBSA-N 0 0 194.274 2.686 10 30 AFEERN C=C[C@](C)(CC)C(=O)OC[C@H]1C[C@H]1C 859651177 583280484 /nfs/dbraw/zinc/28/04/84/583280484.db2.gz JNIUJQPAEIUFQX-CKYFFXLPSA-N 0 0 196.290 2.788 10 30 AFEERN C=C[C@](C)(CC)C(=O)OC[C@H]1C[C@@H]1C 859651200 583280940 /nfs/dbraw/zinc/28/09/40/583280940.db2.gz JNIUJQPAEIUFQX-HOSYDEDBSA-N 0 0 196.290 2.788 10 30 AFEERN C=CCCOC(=O)[C@H]1CCCC12CC2 860176009 583284017 /nfs/dbraw/zinc/28/40/17/583284017.db2.gz LVPCBGDKELUVPT-SNVBAGLBSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCCOC(=O)[C@@H]1CCCC12CC2 860176008 583284075 /nfs/dbraw/zinc/28/40/75/583284075.db2.gz LVPCBGDKELUVPT-JTQLQIEISA-N 0 0 194.274 2.686 10 30 AFEERN CCCCOC(=O)C(C#N)(CC)CC 860195971 583284076 /nfs/dbraw/zinc/28/40/76/583284076.db2.gz HUEJFTQAPDWDCU-UHFFFAOYSA-N 0 0 197.278 2.660 10 30 AFEERN C=C(C)COC(=O)[C@@H]1CCCC12CC2 860173443 583284138 /nfs/dbraw/zinc/28/41/38/583284138.db2.gz CIFCSXWPOXDELR-JTQLQIEISA-N 0 0 194.274 2.686 10 30 AFEERN C=CCC[C@H](C)OC(=O)C12CC(C1)C2 860270636 583284584 /nfs/dbraw/zinc/28/45/84/583284584.db2.gz CHAQZELJANYYDV-BMQDGWLCSA-N 0 0 194.274 2.684 10 30 AFEERN C=CCCCCOC(=O)C12CC(C1)C2 860273085 583284690 /nfs/dbraw/zinc/28/46/90/583284690.db2.gz NCZXCPXVYCLZFZ-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCC[C@@H](C)OC(=O)C12CC(C1)C2 860270637 583284772 /nfs/dbraw/zinc/28/47/72/583284772.db2.gz CHAQZELJANYYDV-GRZMOONWSA-N 0 0 194.274 2.684 10 30 AFEERN C#CCCCCC(=O)O[C@H](C)CC=C 860900757 583288415 /nfs/dbraw/zinc/28/84/15/583288415.db2.gz HAGQRACLYMTNSY-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1CC1(C)C 860901256 583288225 /nfs/dbraw/zinc/28/82/25/583288225.db2.gz OGWSPPUGVMZOPL-IUCAKERBSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1CCC[C@H]1C 860900714 583288419 /nfs/dbraw/zinc/28/84/19/583288419.db2.gz JEEPMPHADLZNPK-VWYCJHECSA-N 0 0 196.290 2.930 10 30 AFEERN C=C[C@H](C)OC(=O)[C@H]1CCCC12CC2 860681087 583286375 /nfs/dbraw/zinc/28/63/75/583286375.db2.gz BNNHDVNZOCEEIO-VHSXEESVSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@@H]1CCCC12CC2 860681088 583286570 /nfs/dbraw/zinc/28/65/70/583286570.db2.gz BNNHDVNZOCEEIO-ZJUUUORDSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@H]1CCCC12CC2 860681086 583286720 /nfs/dbraw/zinc/28/67/20/583286720.db2.gz BNNHDVNZOCEEIO-UWVGGRQHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@@H](C)OC(=O)[C@H]1CCCC12CC2 860681085 583286741 /nfs/dbraw/zinc/28/67/41/583286741.db2.gz BNNHDVNZOCEEIO-NXEZZACHSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C(\C)CC 860895940 583287242 /nfs/dbraw/zinc/28/72/42/583287242.db2.gz BQWVGWKAUPJJPW-DDXVTDLHSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C(/C)CC 860895942 583287303 /nfs/dbraw/zinc/28/73/03/583287303.db2.gz BQWVGWKAUPJJPW-QROTZFDESA-N 0 0 182.263 2.851 10 30 AFEERN C=CC(C)(C)COC(=O)C12CC(C1)C2 860806409 583287322 /nfs/dbraw/zinc/28/73/22/583287322.db2.gz BECLPNLUNMQZGX-UHFFFAOYSA-N 0 0 194.274 2.542 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1CC[C@@H](C)C1 860900535 583287465 /nfs/dbraw/zinc/28/74/65/583287465.db2.gz CZAYBSYSLYETPH-VWYCJHECSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)C=C1CCC1 860904972 583287478 /nfs/dbraw/zinc/28/74/78/583287478.db2.gz XDIDTRVGLXJAPN-SECBINFHSA-N 0 0 180.247 2.605 10 30 AFEERN C=CC[C@H](C)OC(=O)C[C@@H](C)CC 860898007 583287541 /nfs/dbraw/zinc/28/75/41/583287541.db2.gz AORALUVVTYNRPO-UWVGGRQHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)C[C@H](C)CC 860898006 583288229 /nfs/dbraw/zinc/28/82/29/583288229.db2.gz AORALUVVTYNRPO-NXEZZACHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)CCC(F)F 860898925 583288230 /nfs/dbraw/zinc/28/82/30/583288230.db2.gz PIJQYNWDWVRLNE-ZETCQYMHSA-N 0 0 192.205 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C(\C)CC 860895939 583287619 /nfs/dbraw/zinc/28/76/19/583287619.db2.gz BQWVGWKAUPJJPW-AAXQSMANSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1CC[C@H](C)C1 860900532 583287662 /nfs/dbraw/zinc/28/76/62/583287662.db2.gz CZAYBSYSLYETPH-DCAQKATOSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1CC[C@H](C)C1 860900533 583287735 /nfs/dbraw/zinc/28/77/35/583287735.db2.gz CZAYBSYSLYETPH-GARJFASQSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)c1cocc1C 860898871 583287770 /nfs/dbraw/zinc/28/77/70/583287770.db2.gz HCEAZMJDUPKRHB-SECBINFHSA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1CC[C@@H](C)C1 860900534 583287774 /nfs/dbraw/zinc/28/77/74/583287774.db2.gz CZAYBSYSLYETPH-OUAUKWLOSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)C[C@H](C)CC 860898009 583287858 /nfs/dbraw/zinc/28/78/58/583287858.db2.gz AORALUVVTYNRPO-ZJUUUORDSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)C[C@@H](C)CC 860898008 583287906 /nfs/dbraw/zinc/28/79/06/583287906.db2.gz AORALUVVTYNRPO-VHSXEESVSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C(/C)CC 860895941 583287930 /nfs/dbraw/zinc/28/79/30/583287930.db2.gz BQWVGWKAUPJJPW-HSTULFTRSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)c1cocc1C 860898873 583287974 /nfs/dbraw/zinc/28/79/74/583287974.db2.gz HCEAZMJDUPKRHB-VIFPVBQESA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@H](C)OC(=O)C=C1CCC1 860904975 583287994 /nfs/dbraw/zinc/28/79/94/583287994.db2.gz XDIDTRVGLXJAPN-VIFPVBQESA-N 0 0 180.247 2.605 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H](C)C1CCC1 860897489 583288129 /nfs/dbraw/zinc/28/81/29/583288129.db2.gz YJMGBJOWGWBQBD-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C/C(C)C 860898728 583288143 /nfs/dbraw/zinc/28/81/43/583288143.db2.gz NCHCRWDPFDHHRZ-JARNTUPDSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 860899278 583288157 /nfs/dbraw/zinc/28/81/57/583288157.db2.gz JNGPTGNNWWJJLJ-MMWGEVLESA-N 0 0 194.274 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H](C)C1CCC1 860897486 583288191 /nfs/dbraw/zinc/28/81/91/583288191.db2.gz YJMGBJOWGWBQBD-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 860899279 583288201 /nfs/dbraw/zinc/28/82/01/583288201.db2.gz JNGPTGNNWWJJLJ-UKKRHICBSA-N 0 0 194.274 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)C(C)(C)C=C 860897303 583288234 /nfs/dbraw/zinc/28/82/34/583288234.db2.gz WDBLOQBPQAWAJP-VIFPVBQESA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H](C)C1CCC1 860897488 583288237 /nfs/dbraw/zinc/28/82/37/583288237.db2.gz YJMGBJOWGWBQBD-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)/C(=C/C)CC 860900480 583288240 /nfs/dbraw/zinc/28/82/40/583288240.db2.gz GFIRQXVRLYIBLF-CMWXKVOJSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C\C(C)C 860898726 583288245 /nfs/dbraw/zinc/28/82/45/583288245.db2.gz NCHCRWDPFDHHRZ-DMEOUFDRSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@H](C)OC(=O)/C(=C\C)CC 860900481 583288262 /nfs/dbraw/zinc/28/82/62/583288262.db2.gz GFIRQXVRLYIBLF-LKJZUNMESA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)CCCC#CC 860901485 583288269 /nfs/dbraw/zinc/28/82/69/583288269.db2.gz QRYWGIKNKPOWMU-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1CCC[C@@H]1C 860900711 583288274 /nfs/dbraw/zinc/28/82/74/583288274.db2.gz JEEPMPHADLZNPK-DCAQKATOSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1CC(C)(C)C1 860898950 583288286 /nfs/dbraw/zinc/28/82/86/583288286.db2.gz QCNQUHPKLCHIPO-SECBINFHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)CCCC#CC 860901484 583288289 /nfs/dbraw/zinc/28/82/89/583288289.db2.gz QRYWGIKNKPOWMU-LLVKDONJSA-N 0 0 194.274 2.688 10 30 AFEERN C=CC[C@H](C)OC(=O)C(F)=C1CCC1 860896123 583288303 /nfs/dbraw/zinc/28/83/03/583288303.db2.gz HNOBJQKNBNXCGN-QMMMGPOBSA-N 0 0 198.237 2.902 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H](C)C1CCC1 860897487 583288315 /nfs/dbraw/zinc/28/83/15/583288315.db2.gz YJMGBJOWGWBQBD-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C\C(C)C 860898727 583288318 /nfs/dbraw/zinc/28/83/18/583288318.db2.gz NCHCRWDPFDHHRZ-GQYWMQPJSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1C[C@H]1C(C)C 860901751 583288321 /nfs/dbraw/zinc/28/83/21/583288321.db2.gz UCTYTTBDVHLJPX-DCAQKATOSA-N 0 0 196.290 2.786 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H]1CC1(C)C 860901257 583288323 /nfs/dbraw/zinc/28/83/23/583288323.db2.gz OGWSPPUGVMZOPL-RKDXNWHRSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C(=C\C)CC 860900483 583288329 /nfs/dbraw/zinc/28/83/29/583288329.db2.gz GFIRQXVRLYIBLF-WPVMNKCKSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C\CCC 860898304 583288333 /nfs/dbraw/zinc/28/83/33/583288333.db2.gz AGYZITCQPSMIQJ-RNKPRXRFSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1CC1(C)C 860901255 583288339 /nfs/dbraw/zinc/28/83/39/583288339.db2.gz OGWSPPUGVMZOPL-DTWKUNHWSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C(=C/C)CC 860900484 583288345 /nfs/dbraw/zinc/28/83/45/583288345.db2.gz GFIRQXVRLYIBLF-ZFZMKPAXSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C/CCC 860898305 583288357 /nfs/dbraw/zinc/28/83/57/583288357.db2.gz AGYZITCQPSMIQJ-TTZKWOQHSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C/CCC 860898303 583288382 /nfs/dbraw/zinc/28/83/82/583288382.db2.gz AGYZITCQPSMIQJ-PCYYEKQGSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)C1=C(C)CCC1 860900593 583288395 /nfs/dbraw/zinc/28/83/95/583288395.db2.gz FCRGKTWWZAVBOY-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 860899175 583288407 /nfs/dbraw/zinc/28/84/07/583288407.db2.gz JNGPTGNNWWJJLJ-CHWFTXMASA-N 0 0 194.274 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1C[C@@H]1C(C)C 860901750 583288431 /nfs/dbraw/zinc/28/84/31/583288431.db2.gz UCTYTTBDVHLJPX-AXFHLTTASA-N 0 0 196.290 2.786 10 30 AFEERN C=CC[C@@H](C)OC(=O)c1coc(C)c1 860901631 583288447 /nfs/dbraw/zinc/28/84/47/583288447.db2.gz RNTFOSJPWNVZEK-MRVPVSSYSA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@H](C)OC(=O)C(C)(C)C1CC1 860898123 583288458 /nfs/dbraw/zinc/28/84/58/583288458.db2.gz CULQYXJKKSOPNW-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1CCC[C@H]1C 860900713 583288468 /nfs/dbraw/zinc/28/84/68/583288468.db2.gz JEEPMPHADLZNPK-OUAUKWLOSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)C(F)=C1CCC1 860896122 583288476 /nfs/dbraw/zinc/28/84/76/583288476.db2.gz HNOBJQKNBNXCGN-MRVPVSSYSA-N 0 0 198.237 2.902 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 860899280 583288521 /nfs/dbraw/zinc/28/85/21/583288521.db2.gz JNGPTGNNWWJJLJ-ZNSHCXBVSA-N 0 0 194.274 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)C1CC(C)(C)C1 860898951 583288573 /nfs/dbraw/zinc/28/85/73/583288573.db2.gz QCNQUHPKLCHIPO-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)C1CC2(CC2)C1 860898341 583288589 /nfs/dbraw/zinc/28/85/89/583288589.db2.gz BFNNFHMAUGCLDV-VIFPVBQESA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1CCC[C@@H]1C 860900712 583288598 /nfs/dbraw/zinc/28/85/98/583288598.db2.gz JEEPMPHADLZNPK-GARJFASQSA-N 0 0 196.290 2.930 10 30 AFEERN C#CCC(C)(C)C(=O)O[C@H](C)CC=C 860898287 583288606 /nfs/dbraw/zinc/28/86/06/583288606.db2.gz HTPRTIUYJDIKKQ-SNVBAGLBSA-N 0 0 194.274 2.544 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1C[C@@H]1C(C)C 860901753 583288611 /nfs/dbraw/zinc/28/86/11/583288611.db2.gz UCTYTTBDVHLJPX-HBNTYKKESA-N 0 0 196.290 2.786 10 30 AFEERN C=CC[C@@H](C)OC(=O)CCCCC#N 860899631 583288626 /nfs/dbraw/zinc/28/86/26/583288626.db2.gz MZIJTSPMDBAKHN-SNVBAGLBSA-N 0 0 195.262 2.578 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1CC2(CC2)C1 860898339 583288639 /nfs/dbraw/zinc/28/86/39/583288639.db2.gz BFNNFHMAUGCLDV-SECBINFHSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)CC(C)(F)F 860899403 583288664 /nfs/dbraw/zinc/28/86/64/583288664.db2.gz XJCMFLFSFYWFAK-SSDOTTSWSA-N 0 0 192.205 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C\CCC 860898306 583288669 /nfs/dbraw/zinc/28/86/69/583288669.db2.gz AGYZITCQPSMIQJ-UJICNMFASA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C/C(C)C 860898729 583288671 /nfs/dbraw/zinc/28/86/71/583288671.db2.gz NCHCRWDPFDHHRZ-QROSGCPLSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@@H](C)OC(=O)CCC(F)F 860898924 583288674 /nfs/dbraw/zinc/28/86/74/583288674.db2.gz PIJQYNWDWVRLNE-SSDOTTSWSA-N 0 0 192.205 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H]1CC1(C)C 860901254 583288692 /nfs/dbraw/zinc/28/86/92/583288692.db2.gz OGWSPPUGVMZOPL-BDAKNGLRSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1C[C@H]1C(C)C 860901752 583288733 /nfs/dbraw/zinc/28/87/33/583288733.db2.gz UCTYTTBDVHLJPX-GARJFASQSA-N 0 0 196.290 2.786 10 30 AFEERN C#CCCCCC(=O)O[C@@H](C)CC=C 860900758 583288736 /nfs/dbraw/zinc/28/87/36/583288736.db2.gz HAGQRACLYMTNSY-NSHDSACASA-N 0 0 194.274 2.688 10 30 AFEERN C=CC[C@@H](C)OC(=O)C(C)(C)C=C 860897302 583288739 /nfs/dbraw/zinc/28/87/39/583288739.db2.gz WDBLOQBPQAWAJP-SECBINFHSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H]1C[C@@H]1C1CC1 860896881 583288769 /nfs/dbraw/zinc/28/87/69/583288769.db2.gz RGDDJCSXLQEFLQ-IEBDPFPHSA-N 0 0 194.274 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)CCCCC#N 860899630 583288793 /nfs/dbraw/zinc/28/87/93/583288793.db2.gz MZIJTSPMDBAKHN-JTQLQIEISA-N 0 0 195.262 2.578 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1C[C@@H]1C1CC1 860896880 583288801 /nfs/dbraw/zinc/28/88/01/583288801.db2.gz RGDDJCSXLQEFLQ-GDPRMGEGSA-N 0 0 194.274 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)CC(C)(F)F 860899405 583288815 /nfs/dbraw/zinc/28/88/15/583288815.db2.gz XJCMFLFSFYWFAK-ZETCQYMHSA-N 0 0 192.205 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1=C(C)CCC1 860900594 583288818 /nfs/dbraw/zinc/28/88/18/583288818.db2.gz FCRGKTWWZAVBOY-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=CC[C@@H](C)OC(=O)C(C)(C)C1CC1 860898122 583288825 /nfs/dbraw/zinc/28/88/25/583288825.db2.gz CULQYXJKKSOPNW-SECBINFHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H]1C[C@H]1CC 860896152 583288828 /nfs/dbraw/zinc/28/88/28/583288828.db2.gz IBBJZJUEFKXRRO-OPRDCNLKSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)C[C@@H](C)C1CC1 860908405 583289165 /nfs/dbraw/zinc/28/91/65/583289165.db2.gz MKBIPFYDMPTRQQ-NXEZZACHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1C[C@H]1CC 860896151 583288850 /nfs/dbraw/zinc/28/88/50/583288850.db2.gz IBBJZJUEFKXRRO-IVZWLZJFSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)c1coc(C)c1 860901632 583288853 /nfs/dbraw/zinc/28/88/53/583288853.db2.gz RNTFOSJPWNVZEK-QMMMGPOBSA-N 0 0 194.230 2.709 10 30 AFEERN C#CCC(C)(C)C(=O)O[C@@H](C)CC=C 860898286 583288855 /nfs/dbraw/zinc/28/88/55/583288855.db2.gz HTPRTIUYJDIKKQ-JTQLQIEISA-N 0 0 194.274 2.544 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1CC=CCC1 860908525 583288913 /nfs/dbraw/zinc/28/89/13/583288913.db2.gz YVOSAQGXBZKPGG-QWRGUYRKSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H](C)CC 860906392 583288920 /nfs/dbraw/zinc/28/89/20/583288920.db2.gz YZFDZIFCIQCMFN-RKDXNWHRSA-N 0 0 170.252 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H](C)C(C)C 860902636 583288925 /nfs/dbraw/zinc/28/89/25/583288925.db2.gz IFSFNOOUDSGUPM-UWVGGRQHSA-N 0 0 184.279 2.786 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1CC(C)C1 860904601 583288957 /nfs/dbraw/zinc/28/89/57/583288957.db2.gz VYGLWYGJQHVQIP-HWOCKDDLSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)C1=CCCC1 860903509 583288971 /nfs/dbraw/zinc/28/89/71/583288971.db2.gz AVHXUWFKYPFYND-VIFPVBQESA-N 0 0 180.247 2.605 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H]1CC12CCC2 860903987 583288983 /nfs/dbraw/zinc/28/89/83/583288983.db2.gz KBERGSOFHJTJTQ-ZJUUUORDSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H](C)C(C)C 860902637 583288993 /nfs/dbraw/zinc/28/89/93/583288993.db2.gz IFSFNOOUDSGUPM-VHSXEESVSA-N 0 0 184.279 2.786 10 30 AFEERN C=CC[C@H](C)OC(=O)/C(C)=C\CC 860902946 583289002 /nfs/dbraw/zinc/28/90/02/583289002.db2.gz PEPBUVHLROILSF-RNKPRXRFSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H](C)C(C)C 860902635 583289016 /nfs/dbraw/zinc/28/90/16/583289016.db2.gz IFSFNOOUDSGUPM-NXEZZACHSA-N 0 0 184.279 2.786 10 30 AFEERN C=CC[C@H](C)OC(=O)C(C)(C)C 860907253 583289071 /nfs/dbraw/zinc/28/90/71/583289071.db2.gz VJXZNNHNBDQIMU-QMMMGPOBSA-N 0 0 170.252 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1CC12CCC2 860903985 583289075 /nfs/dbraw/zinc/28/90/75/583289075.db2.gz KBERGSOFHJTJTQ-UWVGGRQHSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)C1(CC)CC1 860904137 583289081 /nfs/dbraw/zinc/28/90/81/583289081.db2.gz NYXVYIQHPBSQFC-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C/C=C\C 860907988 583289101 /nfs/dbraw/zinc/28/91/01/583289101.db2.gz QEZQOUQHHINQBL-JEUPLNQMSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@H](C)OC(=O)C1=CCCCC1 860902191 583289115 /nfs/dbraw/zinc/28/91/15/583289115.db2.gz XYTFOYQNESKUQM-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H](C)CC 860906391 583289134 /nfs/dbraw/zinc/28/91/34/583289134.db2.gz YZFDZIFCIQCMFN-IUCAKERBSA-N 0 0 170.252 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)c1occc1C 860906212 583289141 /nfs/dbraw/zinc/28/91/41/583289141.db2.gz XDYZGCGJAMEYEX-SECBINFHSA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H](C)C1CC1 860903892 583289155 /nfs/dbraw/zinc/28/91/55/583289155.db2.gz ILTOETUFZBFCRO-DTWKUNHWSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H]1CC12CCC2 860903986 583289157 /nfs/dbraw/zinc/28/91/57/583289157.db2.gz KBERGSOFHJTJTQ-VHSXEESVSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H](C)C1CC1 860903891 583289161 /nfs/dbraw/zinc/28/91/61/583289161.db2.gz ILTOETUFZBFCRO-BDAKNGLRSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)c1ccc(C)o1 860906897 583289163 /nfs/dbraw/zinc/28/91/63/583289163.db2.gz RDDVJSUNGYXBJP-QMMMGPOBSA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@@H](C)OC(=O)C=C1CCCC1 860908210 583289182 /nfs/dbraw/zinc/28/91/82/583289182.db2.gz KAKAURYNOHADHQ-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1CCCC1 860908244 583289188 /nfs/dbraw/zinc/28/91/88/583289188.db2.gz UHJRWSCZILKWSV-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C(/C)C1CC1 860906712 583289197 /nfs/dbraw/zinc/28/91/97/583289197.db2.gz FGUUCVPELGLXFF-HSTULFTRSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H](C)C1CC1 860903893 583289202 /nfs/dbraw/zinc/28/92/02/583289202.db2.gz ILTOETUFZBFCRO-IUCAKERBSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)c1occc1C 860906213 583289213 /nfs/dbraw/zinc/28/92/13/583289213.db2.gz XDYZGCGJAMEYEX-VIFPVBQESA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@@H](C)OC(=O)C(CC)CC 860905646 583289217 /nfs/dbraw/zinc/28/92/17/583289217.db2.gz CNRXXBMISKIKCY-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@@H]1CC=CCC1 860908526 583289230 /nfs/dbraw/zinc/28/92/30/583289230.db2.gz YVOSAQGXBZKPGG-WDEREUQCSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C/C=C\C 860907987 583289233 /nfs/dbraw/zinc/28/92/33/583289233.db2.gz QEZQOUQHHINQBL-HEOIPQSBSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C/C=C/C 860907989 583289235 /nfs/dbraw/zinc/28/92/35/583289235.db2.gz QEZQOUQHHINQBL-KHDFDBHFSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H]1CC12CCC2 860903984 583289266 /nfs/dbraw/zinc/28/92/66/583289266.db2.gz KBERGSOFHJTJTQ-NXEZZACHSA-N 0 0 194.274 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)c1ccc(C)o1 860906896 583289244 /nfs/dbraw/zinc/28/92/44/583289244.db2.gz RDDVJSUNGYXBJP-MRVPVSSYSA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1=CCCC1 860903508 583289251 /nfs/dbraw/zinc/28/92/51/583289251.db2.gz AVHXUWFKYPFYND-SECBINFHSA-N 0 0 180.247 2.605 10 30 AFEERN C=CC[C@H](C)OC(=O)C(C)(C)CC 860903164 583289256 /nfs/dbraw/zinc/28/92/56/583289256.db2.gz UFGNDXBMMXNRED-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)C[C@H](C)C1CC1 860908408 583289258 /nfs/dbraw/zinc/28/92/58/583289258.db2.gz MKBIPFYDMPTRQQ-VHSXEESVSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)C1(C)CCC1 860903854 583289261 /nfs/dbraw/zinc/28/92/61/583289261.db2.gz IAGQIJPDBMKVJP-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C(\C)C1CC1 860906710 583289271 /nfs/dbraw/zinc/28/92/71/583289271.db2.gz FGUUCVPELGLXFF-AAXQSMANSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)CCC1CC1 860902744 583289282 /nfs/dbraw/zinc/28/92/82/583289282.db2.gz KSUICQVXAOTZLQ-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)CCCC 860906302 583289304 /nfs/dbraw/zinc/28/93/04/583289304.db2.gz KVECUGDYRHDZIJ-VIFPVBQESA-N 0 0 170.252 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)C(C)(C)CC 860903163 583289309 /nfs/dbraw/zinc/28/93/09/583289309.db2.gz UFGNDXBMMXNRED-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)CC(C)(C)C 860908467 583289320 /nfs/dbraw/zinc/28/93/20/583289320.db2.gz XURJCBOPHCBVHR-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)CCCC 860906301 583289332 /nfs/dbraw/zinc/28/93/32/583289332.db2.gz KVECUGDYRHDZIJ-SECBINFHSA-N 0 0 170.252 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)C[C@H](C)C1CC1 860908407 583289339 /nfs/dbraw/zinc/28/93/39/583289339.db2.gz MKBIPFYDMPTRQQ-UWVGGRQHSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)CCC1CC1 860902745 583289353 /nfs/dbraw/zinc/28/93/53/583289353.db2.gz KSUICQVXAOTZLQ-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)C1CCCC1 860908245 583289395 /nfs/dbraw/zinc/28/93/95/583289395.db2.gz UHJRWSCZILKWSV-VIFPVBQESA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@H](C)OC(=O)CC(C)C 860908607 583289401 /nfs/dbraw/zinc/28/94/01/583289401.db2.gz ZVDFCOYYHFYWBX-VIFPVBQESA-N 0 0 170.252 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1(C)CCC1 860903853 583289408 /nfs/dbraw/zinc/28/94/08/583289408.db2.gz IAGQIJPDBMKVJP-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)CC(C)(C)C 860908465 583289412 /nfs/dbraw/zinc/28/94/12/583289412.db2.gz XURJCBOPHCBVHR-SECBINFHSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C)OC(=O)C(C)(C)C 860907252 583289415 /nfs/dbraw/zinc/28/94/15/583289415.db2.gz VJXZNNHNBDQIMU-MRVPVSSYSA-N 0 0 170.252 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C(\C)C1CC1 860906711 583289419 /nfs/dbraw/zinc/28/94/19/583289419.db2.gz FGUUCVPELGLXFF-DDXVTDLHSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)[C@H](C)CC 860906387 583289433 /nfs/dbraw/zinc/28/94/33/583289433.db2.gz YZFDZIFCIQCMFN-BDAKNGLRSA-N 0 0 170.252 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H](C)C(C)C 860902638 583289453 /nfs/dbraw/zinc/28/94/53/583289453.db2.gz IFSFNOOUDSGUPM-ZJUUUORDSA-N 0 0 184.279 2.786 10 30 AFEERN C=CC[C@H](C)OC(=O)c1ccoc1C 860906845 583289498 /nfs/dbraw/zinc/28/94/98/583289498.db2.gz QOOTZYCCPQGFSA-QMMMGPOBSA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@@H](C)OC(=O)c1ccoc1C 860906844 583289504 /nfs/dbraw/zinc/28/95/04/583289504.db2.gz QOOTZYCCPQGFSA-MRVPVSSYSA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C(C)=C\CC 860902948 583289509 /nfs/dbraw/zinc/28/95/09/583289509.db2.gz PEPBUVHLROILSF-UJICNMFASA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1=CCCCC1 860902192 583289520 /nfs/dbraw/zinc/28/95/20/583289520.db2.gz XYTFOYQNESKUQM-SNVBAGLBSA-N 0 0 194.274 2.995 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H](C)CC 860906390 583289536 /nfs/dbraw/zinc/28/95/36/583289536.db2.gz YZFDZIFCIQCMFN-DTWKUNHWSA-N 0 0 170.252 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C(C)=C/CC 860902947 583289551 /nfs/dbraw/zinc/28/95/51/583289551.db2.gz PEPBUVHLROILSF-TTZKWOQHSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1(CC)CC1 860904136 583289572 /nfs/dbraw/zinc/28/95/72/583289572.db2.gz NYXVYIQHPBSQFC-SECBINFHSA-N 0 0 182.263 2.684 10 30 AFEERN C=CC[C@@H](C)OC(=O)/C=C/C=C/C 860907986 583289583 /nfs/dbraw/zinc/28/95/83/583289583.db2.gz QEZQOUQHHINQBL-FYGOWVPVSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@H](C)OC(=O)/C=C(/C)C1CC1 860906713 583289598 /nfs/dbraw/zinc/28/95/98/583289598.db2.gz FGUUCVPELGLXFF-QROTZFDESA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)C(CC)CC 860905647 583289602 /nfs/dbraw/zinc/28/96/02/583289602.db2.gz CNRXXBMISKIKCY-VIFPVBQESA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)C1CC(C)C1 860904602 583289608 /nfs/dbraw/zinc/28/96/08/583289608.db2.gz VYGLWYGJQHVQIP-KYHHOPLUSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H](C)C1CC1 860903894 583289611 /nfs/dbraw/zinc/28/96/11/583289611.db2.gz ILTOETUFZBFCRO-RKDXNWHRSA-N 0 0 182.263 2.540 10 30 AFEERN C=CC[C@@H](C)OC(=O)CC(C)C 860908605 583289612 /nfs/dbraw/zinc/28/96/12/583289612.db2.gz ZVDFCOYYHFYWBX-SECBINFHSA-N 0 0 170.252 2.540 10 30 AFEERN C=CC[C@H](C)OC(=O)CCC(C)C 860908498 583289625 /nfs/dbraw/zinc/28/96/25/583289625.db2.gz YGYBXIXXHOTKAC-JTQLQIEISA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@H](C)OC(=O)/C(C)=C/CC 860902945 583289630 /nfs/dbraw/zinc/28/96/30/583289630.db2.gz PEPBUVHLROILSF-PCYYEKQGSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)C=C1CCCC1 860908209 583289634 /nfs/dbraw/zinc/28/96/34/583289634.db2.gz KAKAURYNOHADHQ-JTQLQIEISA-N 0 0 194.274 2.995 10 30 AFEERN C=CC[C@H](C)OC(=O)C[C@@H](C)C1CC1 860908410 583289637 /nfs/dbraw/zinc/28/96/37/583289637.db2.gz MKBIPFYDMPTRQQ-ZJUUUORDSA-N 0 0 196.290 2.930 10 30 AFEERN C=CC[C@H](C=C)OC(=O)[C@H]1CC1(C)C 860924981 583289692 /nfs/dbraw/zinc/28/96/92/583289692.db2.gz HIABFTLPACWULK-VHSXEESVSA-N 0 0 194.274 2.706 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)C1CCCC1 860922710 583289699 /nfs/dbraw/zinc/28/96/99/583289699.db2.gz FPWRWIVVWBZLFN-LLVKDONJSA-N 0 0 194.274 2.851 10 30 AFEERN C=CCCC(=O)O[C@H](C=C)CC=C 860927380 583289715 /nfs/dbraw/zinc/28/97/15/583289715.db2.gz PBSHMRFIWJMSAD-SNVBAGLBSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@H](C=C)OC(=O)C1CCCC1 860922711 583289793 /nfs/dbraw/zinc/28/97/93/583289793.db2.gz FPWRWIVVWBZLFN-NSHDSACASA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@H](C=C)OC(=O)[C@@H](C)C(C)C 860927191 583289827 /nfs/dbraw/zinc/28/98/27/583289827.db2.gz MLOSLBGGINDLDK-QWRGUYRKSA-N 0 0 196.290 2.952 10 30 AFEERN C=CC[C@H](C=C)OC(=O)C1(CC)CC1 860928188 583289841 /nfs/dbraw/zinc/28/98/41/583289841.db2.gz WJCYQIYJXRTRDE-JTQLQIEISA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@H](C=C)OC(=O)/C=C/C1CC1 860926781 583289845 /nfs/dbraw/zinc/28/98/45/583289845.db2.gz JQGLDWRFMKGEKR-FBOQAHMBSA-N 0 0 192.258 2.627 10 30 AFEERN C=CC[C@H](C=C)OC(=O)C1(C)CCC1 860925567 583289891 /nfs/dbraw/zinc/28/98/91/583289891.db2.gz CWCQOURHJBPDIN-JTQLQIEISA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@H](C=C)OC(=O)[C@@H](C)C1CC1 860927164 583289893 /nfs/dbraw/zinc/28/98/93/583289893.db2.gz MCEKEEXBUQUFPF-ONGXEEELSA-N 0 0 194.274 2.706 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)CC1(C)CC1 860924738 583289896 /nfs/dbraw/zinc/28/98/96/583289896.db2.gz BNXTXMAKRGLLDQ-SNVBAGLBSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)C1=CCCC1 860926107 583289901 /nfs/dbraw/zinc/28/99/01/583289901.db2.gz GRVDSBLKFNGOPX-LLVKDONJSA-N 0 0 192.258 2.771 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)C(C)(C)C 860924209 583289930 /nfs/dbraw/zinc/28/99/30/583289930.db2.gz ONHVJQMWXRPWBY-SECBINFHSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@H](C=C)OC(=O)[C@H](C)C1CC1 860927162 583289936 /nfs/dbraw/zinc/28/99/36/583289936.db2.gz MCEKEEXBUQUFPF-KOLCDFICSA-N 0 0 194.274 2.706 10 30 AFEERN C=CC[C@H](C=C)OC(=O)[C@H](C)CC 860923822 583289945 /nfs/dbraw/zinc/28/99/45/583289945.db2.gz FABWMWLSTYEWTC-ZJUUUORDSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@H](C=C)OC(=O)/C=C\C1CC1 860926782 583289948 /nfs/dbraw/zinc/28/99/48/583289948.db2.gz JQGLDWRFMKGEKR-IQQGHNRFSA-N 0 0 192.258 2.627 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)C(C)(C)C=C 860928932 583289954 /nfs/dbraw/zinc/28/99/54/583289954.db2.gz MMQKZVPDHYJINJ-SNVBAGLBSA-N 0 0 194.274 2.873 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)CCCC 860923919 583289959 /nfs/dbraw/zinc/28/99/59/583289959.db2.gz HUMBUGQPMCGHLJ-SNVBAGLBSA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@@H]1CC=CCC1 860908523 583289980 /nfs/dbraw/zinc/28/99/80/583289980.db2.gz YVOSAQGXBZKPGG-GHMZBOCLSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)[C@H]1CC1(C)C 860924980 583289990 /nfs/dbraw/zinc/28/99/90/583289990.db2.gz HIABFTLPACWULK-NXEZZACHSA-N 0 0 194.274 2.706 10 30 AFEERN C=CC[C@H](C=C)OC(=O)[C@@H](C)CC 860923820 583289992 /nfs/dbraw/zinc/28/99/92/583289992.db2.gz FABWMWLSTYEWTC-UWVGGRQHSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@H](C=C)OC(=O)CC1(C)CC1 860924737 583289994 /nfs/dbraw/zinc/28/99/94/583289994.db2.gz BNXTXMAKRGLLDQ-JTQLQIEISA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)[C@H](C)C(C)C 860927189 583290021 /nfs/dbraw/zinc/29/00/21/583290021.db2.gz MLOSLBGGINDLDK-GHMZBOCLSA-N 0 0 196.290 2.952 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)[C@H](C)CC 860923819 583290024 /nfs/dbraw/zinc/29/00/24/583290024.db2.gz FABWMWLSTYEWTC-NXEZZACHSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)/C(C)=C\C 860928342 583290028 /nfs/dbraw/zinc/29/00/28/583290028.db2.gz ZDFUFEDNRPXBRY-ABRRARGCSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@H](C=C)OC(=O)CCCC 860923918 583290034 /nfs/dbraw/zinc/29/00/34/583290034.db2.gz HUMBUGQPMCGHLJ-JTQLQIEISA-N 0 0 182.263 2.851 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)C1CC=CC1 860927961 583290039 /nfs/dbraw/zinc/29/00/39/583290039.db2.gz UAOQHGQUBUQDIW-LLVKDONJSA-N 0 0 192.258 2.627 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)[C@@H](C)CC 860923821 583290041 /nfs/dbraw/zinc/29/00/41/583290041.db2.gz FABWMWLSTYEWTC-VHSXEESVSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)/C=C/C1CC1 860926779 583290067 /nfs/dbraw/zinc/29/00/67/583290067.db2.gz JQGLDWRFMKGEKR-ANYFNZRUSA-N 0 0 192.258 2.627 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)CC(C)C 860923085 583290078 /nfs/dbraw/zinc/29/00/78/583290078.db2.gz NHRNKMFQJKMNBT-SNVBAGLBSA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@H](C=C)OC(=O)CC1CCC1 860928326 583290083 /nfs/dbraw/zinc/29/00/83/583290083.db2.gz YSRBJAMYDBUHGR-NSHDSACASA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)[C@H]1CC=CCC1 860908524 583290087 /nfs/dbraw/zinc/29/00/87/583290087.db2.gz YVOSAQGXBZKPGG-MNOVXSKESA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C)OC(=O)c1cccs1 860908633 583290090 /nfs/dbraw/zinc/29/00/90/583290090.db2.gz ZXLSLARBUAXJHD-MRVPVSSYSA-N 0 0 196.271 2.870 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)[C@@H](C)C(C)C 860927192 583290107 /nfs/dbraw/zinc/29/01/07/583290107.db2.gz MLOSLBGGINDLDK-WDEREUQCSA-N 0 0 196.290 2.952 10 30 AFEERN C=CC[C@H](C=C)OC(=O)CC(C)C 860923084 583290120 /nfs/dbraw/zinc/29/01/20/583290120.db2.gz NHRNKMFQJKMNBT-JTQLQIEISA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)CCC1CC1 860926110 583290122 /nfs/dbraw/zinc/29/01/22/583290122.db2.gz GSJMNPBTWUDUMB-LLVKDONJSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@H](C=C)OC(=O)/C(C)=C/C 860928345 583290124 /nfs/dbraw/zinc/29/01/24/583290124.db2.gz ZDFUFEDNRPXBRY-ZKXNXJMVSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@H](C=C)OC(=O)C(C)(C)C=C 860928931 583290128 /nfs/dbraw/zinc/29/01/28/583290128.db2.gz MMQKZVPDHYJINJ-JTQLQIEISA-N 0 0 194.274 2.873 10 30 AFEERN C=CC[C@H](C=C)OC(=O)[C@H](C)C(C)C 860927190 583290136 /nfs/dbraw/zinc/29/01/36/583290136.db2.gz MLOSLBGGINDLDK-MNOVXSKESA-N 0 0 196.290 2.952 10 30 AFEERN C=CCCC(=O)O[C@@H](C=C)CC=C 860927379 583290155 /nfs/dbraw/zinc/29/01/55/583290155.db2.gz PBSHMRFIWJMSAD-JTQLQIEISA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@H](C=C)OC(=O)/C(C)=C\C 860928343 583290169 /nfs/dbraw/zinc/29/01/69/583290169.db2.gz ZDFUFEDNRPXBRY-MBACFSSFSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)/C=C\C1CC1 860926783 583290175 /nfs/dbraw/zinc/29/01/75/583290175.db2.gz JQGLDWRFMKGEKR-TYBABMIJSA-N 0 0 192.258 2.627 10 30 AFEERN C=CC[C@H](C=C)OC(=O)C=C1CCC1 860925465 583290179 /nfs/dbraw/zinc/29/01/79/583290179.db2.gz ACEJFGQJCKQXDJ-NSHDSACASA-N 0 0 192.258 2.771 10 30 AFEERN C=CC[C@H](C=C)OC(=O)C1CC=CC1 860927962 583290185 /nfs/dbraw/zinc/29/01/85/583290185.db2.gz UAOQHGQUBUQDIW-NSHDSACASA-N 0 0 192.258 2.627 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)C=C(C)C 860923514 583290189 /nfs/dbraw/zinc/29/01/89/583290189.db2.gz WVNQPORQSHSYMU-SNVBAGLBSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)[C@H](C)C1CC1 860927163 583290218 /nfs/dbraw/zinc/29/02/18/583290218.db2.gz MCEKEEXBUQUFPF-MWLCHTKSSA-N 0 0 194.274 2.706 10 30 AFEERN C=CC[C@H](C=C)OC(=O)/C=C/SC 860927974 583290256 /nfs/dbraw/zinc/29/02/56/583290256.db2.gz UHGHZJATDFSKNP-FLOXNTQESA-N 0 0 198.287 2.537 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)/C=C\SC 860927976 583290295 /nfs/dbraw/zinc/29/02/95/583290295.db2.gz UHGHZJATDFSKNP-UFGYOYAJSA-N 0 0 198.287 2.537 10 30 AFEERN C=CC[C@H](C=C)OC(=O)/C=C\SC 860927975 583290308 /nfs/dbraw/zinc/29/03/08/583290308.db2.gz UHGHZJATDFSKNP-FUOZMLNRSA-N 0 0 198.287 2.537 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)/C=C/SC 860927973 583290317 /nfs/dbraw/zinc/29/03/17/583290317.db2.gz UHGHZJATDFSKNP-FCZSHJHJSA-N 0 0 198.287 2.537 10 30 AFEERN C=CC[C@H](C=C)OC(=O)C1=CCCC1 860926108 583290320 /nfs/dbraw/zinc/29/03/20/583290320.db2.gz GRVDSBLKFNGOPX-NSHDSACASA-N 0 0 192.258 2.771 10 30 AFEERN C=CC[C@@H](C)OC(=O)CCC(C)C 860908499 583290328 /nfs/dbraw/zinc/29/03/28/583290328.db2.gz YGYBXIXXHOTKAC-SNVBAGLBSA-N 0 0 184.279 2.930 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)C1(CC)CC1 860928189 583290359 /nfs/dbraw/zinc/29/03/59/583290359.db2.gz WJCYQIYJXRTRDE-SNVBAGLBSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)C=C1CCC1 860925463 583290364 /nfs/dbraw/zinc/29/03/64/583290364.db2.gz ACEJFGQJCKQXDJ-LLVKDONJSA-N 0 0 192.258 2.771 10 30 AFEERN C=CC[C@H](C=C)OC(=O)CCC1CC1 860926111 583290391 /nfs/dbraw/zinc/29/03/91/583290391.db2.gz GSJMNPBTWUDUMB-NSHDSACASA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@H](C=C)OC(=O)C(C)(C)C 860924210 583290403 /nfs/dbraw/zinc/29/04/03/583290403.db2.gz ONHVJQMWXRPWBY-VIFPVBQESA-N 0 0 182.263 2.706 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)/C(C)=C/C 860928344 583290424 /nfs/dbraw/zinc/29/04/24/583290424.db2.gz ZDFUFEDNRPXBRY-OLKPEBQYSA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)CC1CCC1 860928325 583290428 /nfs/dbraw/zinc/29/04/28/583290428.db2.gz YSRBJAMYDBUHGR-LLVKDONJSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)C1(C)CCC1 860925768 583290441 /nfs/dbraw/zinc/29/04/41/583290441.db2.gz CWCQOURHJBPDIN-SNVBAGLBSA-N 0 0 194.274 2.851 10 30 AFEERN C=CC[C@H](C)OC(=O)c1cccs1 860908634 583290446 /nfs/dbraw/zinc/29/04/46/583290446.db2.gz ZXLSLARBUAXJHD-QMMMGPOBSA-N 0 0 196.271 2.870 10 30 AFEERN C=CC[C@H](C=C)OC(=O)C=C(C)C 860923513 583290458 /nfs/dbraw/zinc/29/04/58/583290458.db2.gz WVNQPORQSHSYMU-JTQLQIEISA-N 0 0 180.247 2.627 10 30 AFEERN C=CC[C@@H](C=C)OC(=O)[C@@H](C)C1CC1 860927161 583290468 /nfs/dbraw/zinc/29/04/68/583290468.db2.gz MCEKEEXBUQUFPF-GXSJLCMTSA-N 0 0 194.274 2.706 10 30 AFEERN C=C[C@@H](C)OC(=O)c1cccc(C)c1 202457685 583294693 /nfs/dbraw/zinc/29/46/93/583294693.db2.gz IQDWWBIIBDEQNT-SNVBAGLBSA-N 0 0 190.242 2.726 10 30 AFEERN C=C[C@H](C)OC(=O)c1cccc(C)c1 202457667 583295008 /nfs/dbraw/zinc/29/50/08/583295008.db2.gz IQDWWBIIBDEQNT-JTQLQIEISA-N 0 0 190.242 2.726 10 30 AFEERN C#CCCCC(C)=NNC(CC)CC 863094089 583303644 /nfs/dbraw/zinc/30/36/44/583303644.db2.gz CYSOMCQZYYFHSJ-UHFFFAOYSA-N 0 0 194.322 2.944 10 30 AFEERN C=CC(C)(C)CCNC(=O)/C(C)=C\C 862396095 583298987 /nfs/dbraw/zinc/29/89/87/583298987.db2.gz HHITYINNXLWCCY-POHAHGRESA-N 0 0 195.306 2.671 10 30 AFEERN C=CC(C)(C)CCNC(=O)/C(C)=C/C 862396100 583299213 /nfs/dbraw/zinc/29/92/13/583299213.db2.gz HHITYINNXLWCCY-UXBLZVDNSA-N 0 0 195.306 2.671 10 30 AFEERN CCON=CCCCC(C)C 863077976 583302760 /nfs/dbraw/zinc/30/27/60/583302760.db2.gz YQZREZRQFCEANG-UHFFFAOYSA-N 0 0 157.257 2.835 10 30 AFEERN CCON=CC(C)(C)C(C)(F)F 863077443 583302792 /nfs/dbraw/zinc/30/27/92/583302792.db2.gz QNCFCPDCJABQPQ-UHFFFAOYSA-N 0 0 179.210 2.690 10 30 AFEERN CCON=CC1(CCCOC)CCC1 863077353 583302953 /nfs/dbraw/zinc/30/29/53/583302953.db2.gz OYYCQLCVSRYSQH-UHFFFAOYSA-N 0 0 199.294 2.606 10 30 AFEERN c1ccc(N=NC[C@@H]2CC23CC3)cc1 863064819 583302961 /nfs/dbraw/zinc/30/29/61/583302961.db2.gz SNWOFTKYRZOCCC-JTQLQIEISA-N 0 0 186.258 2.884 10 30 AFEERN c1ccc(N=NC[C@H]2CC23CC3)cc1 863064820 583303146 /nfs/dbraw/zinc/30/31/46/583303146.db2.gz SNWOFTKYRZOCCC-SNVBAGLBSA-N 0 0 186.258 2.884 10 30 AFEERN C#CCCCC(C)=NNC1CCCC1 863089560 583303605 /nfs/dbraw/zinc/30/36/05/583303605.db2.gz ZEVRSCJLXPGPQE-UHFFFAOYSA-N 0 0 192.306 2.698 10 30 AFEERN CC(C)CCCC=NNCC(F)F 863096102 583303608 /nfs/dbraw/zinc/30/36/08/583303608.db2.gz VIDYSLCFMYBXRF-UHFFFAOYSA-N 0 0 192.253 2.653 10 30 AFEERN C#CCCCC(C)=NOCC1CCC1 863124810 583303672 /nfs/dbraw/zinc/30/36/72/583303672.db2.gz DTNIATOZCNRIFP-UHFFFAOYSA-N 0 0 193.290 2.983 10 30 AFEERN CC(=NOC(C)C)C1CC(F)(F)C1 863116538 583303909 /nfs/dbraw/zinc/30/39/09/583303909.db2.gz SFIFKOXLAMDTNO-UHFFFAOYSA-N 0 0 191.221 2.833 10 30 AFEERN C=CCON=CC(C)(C)C(C)(F)F 863117965 583303921 /nfs/dbraw/zinc/30/39/21/583303921.db2.gz IPTDJEGWZBHTSG-UHFFFAOYSA-N 0 0 191.221 2.856 10 30 AFEERN C#CCCCC(C)=NOC(C)C 863116104 583304253 /nfs/dbraw/zinc/30/42/53/583304253.db2.gz IRDDKVWXGLMKPA-UHFFFAOYSA-N 0 0 167.252 2.591 10 30 AFEERN C=CCON=C(C)C1CC(F)(F)C1 863117749 583304278 /nfs/dbraw/zinc/30/42/78/583304278.db2.gz CPTALGGPAFULJW-UHFFFAOYSA-N 0 0 189.205 2.610 10 30 AFEERN COC1CCC(C=NOC(C)C)CC1 863116231 583304292 /nfs/dbraw/zinc/30/42/92/583304292.db2.gz JYOVYEJKANJJDP-UHFFFAOYSA-N 0 0 199.294 2.602 10 30 AFEERN C=C(C)CON=C(C)[C@@H]1CCCCO1 863124097 583304441 /nfs/dbraw/zinc/30/44/41/583304441.db2.gz QAQPQMMNFFHHGL-NSHDSACASA-N 0 0 197.278 2.524 10 30 AFEERN C#CCCCC(C)=NO[C@H](C)C=C 863124617 583304464 /nfs/dbraw/zinc/30/44/64/583304464.db2.gz YMXRDASCIAPAKW-LLVKDONJSA-N 0 0 179.263 2.757 10 30 AFEERN C#CCCCC(C)=NOCCC 863124115 583304483 /nfs/dbraw/zinc/30/44/83/583304483.db2.gz QQOKCCCQINUFHJ-UHFFFAOYSA-N 0 0 167.252 2.592 10 30 AFEERN C[C@H]1CCCCN1N=C[C@H]1CC12CC2 863125977 583304542 /nfs/dbraw/zinc/30/45/42/583304542.db2.gz CJHDFSYAXGQXNL-WDEREUQCSA-N 0 0 192.306 2.647 10 30 AFEERN C(=NOCC1CCC1)[C@H]1CC12CC2 863125252 583304573 /nfs/dbraw/zinc/30/45/73/583304573.db2.gz QSUICBVXZLOAMT-SNVBAGLBSA-N 0 0 179.263 2.589 10 30 AFEERN C=C[C@@H](C)ON=C(C)[C@@H]1CCCCO1 863123706 583304588 /nfs/dbraw/zinc/30/45/88/583304588.db2.gz KDQROZGIOFDKJL-KOLCDFICSA-N 0 0 197.278 2.523 10 30 AFEERN C[C@@H]1CCCCN1N=C[C@H]1CC12CC2 863125974 583304696 /nfs/dbraw/zinc/30/46/96/583304696.db2.gz CJHDFSYAXGQXNL-GHMZBOCLSA-N 0 0 192.306 2.647 10 30 AFEERN CC1(C)CC(CON=C2CCC2)C1 863458528 583309503 /nfs/dbraw/zinc/30/95/03/583309503.db2.gz ZJDLVIGINVSDSP-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C[C@H]1CCCCN1N=C[C@@H]1CC12CC2 863125976 583304768 /nfs/dbraw/zinc/30/47/68/583304768.db2.gz CJHDFSYAXGQXNL-QWRGUYRKSA-N 0 0 192.306 2.647 10 30 AFEERN C=C[C@@H](C)ON=C(C)[C@H]1CCCCO1 863123708 583304784 /nfs/dbraw/zinc/30/47/84/583304784.db2.gz KDQROZGIOFDKJL-MWLCHTKSSA-N 0 0 197.278 2.523 10 30 AFEERN C=C[C@H](C)ON=C(C)[C@H]1CCCCO1 863123705 583304802 /nfs/dbraw/zinc/30/48/02/583304802.db2.gz KDQROZGIOFDKJL-GXSJLCMTSA-N 0 0 197.278 2.523 10 30 AFEERN C[C@@H]1CCCCN1N=C[C@@H]1CC12CC2 863125975 583304805 /nfs/dbraw/zinc/30/48/05/583304805.db2.gz CJHDFSYAXGQXNL-MNOVXSKESA-N 0 0 192.306 2.647 10 30 AFEERN C#CCCCC(C)=NOCC(=C)C 863123791 583304823 /nfs/dbraw/zinc/30/48/23/583304823.db2.gz LPLSRKCIMFWDAA-UHFFFAOYSA-N 0 0 179.263 2.759 10 30 AFEERN C(=NOCC1CCC1)[C@@H]1CC12CC2 863125251 583304835 /nfs/dbraw/zinc/30/48/35/583304835.db2.gz QSUICBVXZLOAMT-JTQLQIEISA-N 0 0 179.263 2.589 10 30 AFEERN C=C(C)CON=C(C)[C@H]1CCCCO1 863124096 583304859 /nfs/dbraw/zinc/30/48/59/583304859.db2.gz QAQPQMMNFFHHGL-LLVKDONJSA-N 0 0 197.278 2.524 10 30 AFEERN CCCON=CC1CCC(OC)CC1 863123610 583304876 /nfs/dbraw/zinc/30/48/76/583304876.db2.gz JRWOCGRYTQTEAE-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN C=C[C@H](C)ON=C(C)[C@@H]1CCCCO1 863123709 583304884 /nfs/dbraw/zinc/30/48/84/583304884.db2.gz KDQROZGIOFDKJL-ONGXEEELSA-N 0 0 197.278 2.523 10 30 AFEERN CCCON=C(C)C1CC(F)(F)C1 863123535 583304902 /nfs/dbraw/zinc/30/49/02/583304902.db2.gz IJLFFRNCQDRWQU-UHFFFAOYSA-N 0 0 191.221 2.834 10 30 AFEERN C#CCCCC(C)=NO[C@@H](C)C=C 863124618 583304964 /nfs/dbraw/zinc/30/49/64/583304964.db2.gz YMXRDASCIAPAKW-NSHDSACASA-N 0 0 179.263 2.757 10 30 AFEERN CCCON=C(C)c1nc(C)cs1 863123244 583304970 /nfs/dbraw/zinc/30/49/70/583304970.db2.gz FHOGWBOZLSNQCZ-UHFFFAOYSA-N 0 0 198.291 2.602 10 30 AFEERN C=CCCC(CCC)=Nn1cccn1 863163664 583305256 /nfs/dbraw/zinc/30/52/56/583305256.db2.gz LQTUBBIEDXFMEX-UHFFFAOYSA-N 0 0 191.278 2.854 10 30 AFEERN CC1(C)CCC(=Nn2cccn2)CC1 863166343 583305533 /nfs/dbraw/zinc/30/55/33/583305533.db2.gz XXWVDKJSCHGTTF-UHFFFAOYSA-N 0 0 191.278 2.687 10 30 AFEERN CC(CCCC(C)C)=Nn1cccn1 863164991 583305574 /nfs/dbraw/zinc/30/55/74/583305574.db2.gz YHVJATYQDRVCFD-UHFFFAOYSA-N 0 0 193.294 2.933 10 30 AFEERN CC(C)(C)[C@@H]1CCC1=Nn1cccn1 863163789 583305659 /nfs/dbraw/zinc/30/56/59/583305659.db2.gz PLDKLJFXYMFCGL-SECBINFHSA-N 0 0 191.278 2.543 10 30 AFEERN CC(CC(C)(C)C)=Nn1cccn1 863163755 583305737 /nfs/dbraw/zinc/30/57/37/583305737.db2.gz OHWKMSZOACIXQO-UHFFFAOYSA-N 0 0 179.267 2.543 10 30 AFEERN C[C@H]1CC(=Nn2cccn2)CC[C@H]1C 863164156 583306138 /nfs/dbraw/zinc/30/61/38/583306138.db2.gz CPHBGGLSEMMFJW-ZJUUUORDSA-N 0 0 191.278 2.543 10 30 AFEERN CC(=Nn1cccn1)C1CCCCC1 863166410 583306221 /nfs/dbraw/zinc/30/62/21/583306221.db2.gz ZHROVUNOUUENMR-UHFFFAOYSA-N 0 0 191.278 2.687 10 30 AFEERN C[C@H]1CCC(=Nn2cccn2)C[C@@H]1C 863164154 583306230 /nfs/dbraw/zinc/30/62/30/583306230.db2.gz CPHBGGLSEMMFJW-UWVGGRQHSA-N 0 0 191.278 2.543 10 30 AFEERN C[C@@H]1CCCC[C@@H]1C=Nn1cccn1 863165033 583306253 /nfs/dbraw/zinc/30/62/53/583306253.db2.gz ZIOABDYBVCGRHU-GHMZBOCLSA-N 0 0 191.278 2.543 10 30 AFEERN C[C@H]1CCC(=Nn2cccn2)C[C@H]1C 863164155 583306290 /nfs/dbraw/zinc/30/62/90/583306290.db2.gz CPHBGGLSEMMFJW-VHSXEESVSA-N 0 0 191.278 2.543 10 30 AFEERN C[C@@H]1CCC(=Nn2cccn2)C[C@H]1C 863164153 583306368 /nfs/dbraw/zinc/30/63/68/583306368.db2.gz CPHBGGLSEMMFJW-NXEZZACHSA-N 0 0 191.278 2.543 10 30 AFEERN CCCC(CCC)=Nn1cccn1 863165770 583306406 /nfs/dbraw/zinc/30/64/06/583306406.db2.gz NPKAHUWBOXNDOV-UHFFFAOYSA-N 0 0 179.267 2.687 10 30 AFEERN CC[C@@H]1CCCC(=Nn2cccn2)C1 863166092 583306492 /nfs/dbraw/zinc/30/64/92/583306492.db2.gz SSZNZUZATMYTRM-SNVBAGLBSA-N 0 0 191.278 2.687 10 30 AFEERN CC(C)=CCCC(C)=Nn1cccn1 863164600 583306524 /nfs/dbraw/zinc/30/65/24/583306524.db2.gz PJOYNKPBEBVELA-UHFFFAOYSA-N 0 0 191.278 2.854 10 30 AFEERN CCC(C[C@H](C)CC)=Nn1cccn1 863165605 583306532 /nfs/dbraw/zinc/30/65/32/583306532.db2.gz HHFRMAUDONRKDP-SNVBAGLBSA-N 0 0 193.294 2.933 10 30 AFEERN C[C@H]1CCCC[C@@H]1C=Nn1cccn1 863165037 583306545 /nfs/dbraw/zinc/30/65/45/583306545.db2.gz ZIOABDYBVCGRHU-WDEREUQCSA-N 0 0 191.278 2.543 10 30 AFEERN CCCCC(CC)=Nn1cccn1 863166336 583306555 /nfs/dbraw/zinc/30/65/55/583306555.db2.gz XWBNKMYQUXXPKU-UHFFFAOYSA-N 0 0 179.267 2.687 10 30 AFEERN CC1(C)CCCC(=Nn2cccn2)C1 863165051 583306574 /nfs/dbraw/zinc/30/65/74/583306574.db2.gz ZLKDPMIGAKWPTD-UHFFFAOYSA-N 0 0 191.278 2.687 10 30 AFEERN C[C@@H]1CCCC[C@H]1C=Nn1cccn1 863165034 583306611 /nfs/dbraw/zinc/30/66/11/583306611.db2.gz ZIOABDYBVCGRHU-MNOVXSKESA-N 0 0 191.278 2.543 10 30 AFEERN CC(CC1CCCC1)=Nn1cccn1 863164301 583306446 /nfs/dbraw/zinc/30/64/46/583306446.db2.gz FTALLIALNSCFQL-UHFFFAOYSA-N 0 0 191.278 2.687 10 30 AFEERN c1cnn(N=C2CCCCCCC2)c1 863165506 583306622 /nfs/dbraw/zinc/30/66/22/583306622.db2.gz CARARYKWRNTISE-UHFFFAOYSA-N 0 0 191.278 2.832 10 30 AFEERN C[C@@H]1CC(=Nn2cccn2)C[C@@H](C)C1 863164391 583306625 /nfs/dbraw/zinc/30/66/25/583306625.db2.gz IOUMHJKIOSWVGK-UWVGGRQHSA-N 0 0 191.278 2.543 10 30 AFEERN CCCCCC(C)=Nn1cccn1 863165850 583306663 /nfs/dbraw/zinc/30/66/63/583306663.db2.gz OUWXLCODWRAEME-UHFFFAOYSA-N 0 0 179.267 2.687 10 30 AFEERN CC[C@H]1CCCC(=Nn2cccn2)C1 863166091 583306691 /nfs/dbraw/zinc/30/66/91/583306691.db2.gz SSZNZUZATMYTRM-JTQLQIEISA-N 0 0 191.278 2.687 10 30 AFEERN C[C@@H]1CC(=Nn2cccn2)C[C@H](C)C1 863164389 583306696 /nfs/dbraw/zinc/30/66/96/583306696.db2.gz IOUMHJKIOSWVGK-AOOOYVTPSA-N 0 0 191.278 2.543 10 30 AFEERN C[C@H]1CC(=Nn2cccn2)C[C@H](C)C1 863164390 583306699 /nfs/dbraw/zinc/30/66/99/583306699.db2.gz IOUMHJKIOSWVGK-NXEZZACHSA-N 0 0 191.278 2.543 10 30 AFEERN C[C@H]1CCCC[C@H]1C=Nn1cccn1 863165036 583306799 /nfs/dbraw/zinc/30/67/99/583306799.db2.gz ZIOABDYBVCGRHU-QWRGUYRKSA-N 0 0 191.278 2.543 10 30 AFEERN CC(C)(C)[C@H]1CCC1=Nn1cccn1 863163790 583306919 /nfs/dbraw/zinc/30/69/19/583306919.db2.gz PLDKLJFXYMFCGL-VIFPVBQESA-N 0 0 191.278 2.543 10 30 AFEERN CCC(C[C@@H](C)CC)=Nn1cccn1 863165604 583306926 /nfs/dbraw/zinc/30/69/26/583306926.db2.gz HHFRMAUDONRKDP-JTQLQIEISA-N 0 0 193.294 2.933 10 30 AFEERN CC(C)SCSCCC#N 863346312 583308178 /nfs/dbraw/zinc/30/81/78/583308178.db2.gz FLYBITFZNXCURC-UHFFFAOYSA-N 0 0 175.322 2.732 10 30 AFEERN C#CCCCSCc1ncc(C)o1 863398427 583309506 /nfs/dbraw/zinc/30/95/06/583309506.db2.gz WOXGIPWTWDKCFH-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C#CCCCSC[C@@H]1C[C@H]1C 863398190 583309548 /nfs/dbraw/zinc/30/95/48/583309548.db2.gz OTFIMIYBWGDIFW-ZJUUUORDSA-N 0 0 168.305 2.789 10 30 AFEERN C#CCCCSC[C@H]1C[C@H]1C 863398187 583309675 /nfs/dbraw/zinc/30/96/75/583309675.db2.gz OTFIMIYBWGDIFW-NXEZZACHSA-N 0 0 168.305 2.789 10 30 AFEERN C[C@H]1C[C@@H]1CON=Cc1cccs1 863452281 583309711 /nfs/dbraw/zinc/30/97/11/583309711.db2.gz GASQCJOXTWFQED-DTWKUNHWSA-N 0 0 195.287 2.755 10 30 AFEERN Cc1cnc(CSCCCC#N)o1 863401126 583309715 /nfs/dbraw/zinc/30/97/15/583309715.db2.gz PSEQJQPDQJKOSS-UHFFFAOYSA-N 0 0 196.275 2.520 10 30 AFEERN CC#CCCSCc1ncc(C)o1 863401659 583309737 /nfs/dbraw/zinc/30/97/37/583309737.db2.gz XKECAMNVCPCRNE-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C=C(C)CSCc1ncc(C)o1 863397602 583309770 /nfs/dbraw/zinc/30/97/70/583309770.db2.gz VDFDVLMCGAVSJI-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN C#CCCCSC[C@H]1C[C@@H]1C 863398189 583309778 /nfs/dbraw/zinc/30/97/78/583309778.db2.gz OTFIMIYBWGDIFW-VHSXEESVSA-N 0 0 168.305 2.789 10 30 AFEERN C[C@H]1C[C@H]1CON=Cc1cccs1 863452282 583309947 /nfs/dbraw/zinc/30/99/47/583309947.db2.gz GASQCJOXTWFQED-IUCAKERBSA-N 0 0 195.287 2.755 10 30 AFEERN C=CCCSCc1ncc(C)o1 863397354 583310129 /nfs/dbraw/zinc/31/01/29/583310129.db2.gz QVNNCFOXIAWOTC-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN C#CCCCSC[C@@H]1C[C@@H]1C 863398188 583310189 /nfs/dbraw/zinc/31/01/89/583310189.db2.gz OTFIMIYBWGDIFW-UWVGGRQHSA-N 0 0 168.305 2.789 10 30 AFEERN C[C@@H]1C[C@H]1CON=Cc1cccs1 863452280 583310208 /nfs/dbraw/zinc/31/02/08/583310208.db2.gz GASQCJOXTWFQED-BDAKNGLRSA-N 0 0 195.287 2.755 10 30 AFEERN C[C@@H]1C[C@@H]1CON=Cc1cccs1 863452284 583310260 /nfs/dbraw/zinc/31/02/60/583310260.db2.gz GASQCJOXTWFQED-RKDXNWHRSA-N 0 0 195.287 2.755 10 30 AFEERN CC1(C)CC(CON=CC2CC2)C1 863476506 583311111 /nfs/dbraw/zinc/31/11/11/583311111.db2.gz HJMLEWYCYDWCSD-UHFFFAOYSA-N 0 0 181.279 2.835 10 30 AFEERN CC(C)(F)C/N=C\c1ccccc1O 864347270 583316084 /nfs/dbraw/zinc/31/60/84/583316084.db2.gz NOUARZNVNJXRQH-QPEQYQDCSA-N 0 0 195.237 2.559 10 30 AFEERN CC(C)(F)C/N=C/c1ccccc1O 864347269 583316094 /nfs/dbraw/zinc/31/60/94/583316094.db2.gz NOUARZNVNJXRQH-NTUHNPAUSA-N 0 0 195.237 2.559 10 30 AFEERN C=C(C)c1cc(C(=O)OCC)cs1 864540170 583319387 /nfs/dbraw/zinc/31/93/87/583319387.db2.gz BFGSGMUMAIWASQ-UHFFFAOYSA-N 0 0 196.271 2.958 10 30 AFEERN C=C(C)c1ccnc2c1CCCC2 864540450 583319729 /nfs/dbraw/zinc/31/97/29/583319729.db2.gz HEIAIOAOUVGJHV-UHFFFAOYSA-N 0 0 173.259 2.994 10 30 AFEERN C=C(C)CN(CC)C(=O)/C(F)=C/CC 864832024 583321649 /nfs/dbraw/zinc/32/16/49/583321649.db2.gz BXCPZRYOLBHFMR-YFHOEESVSA-N 0 0 199.269 2.674 10 30 AFEERN C=C(C)CN(CC)C(=O)/C(F)=C\CC 864832023 583321757 /nfs/dbraw/zinc/32/17/57/583321757.db2.gz BXCPZRYOLBHFMR-JXMROGBWSA-N 0 0 199.269 2.674 10 30 AFEERN C=CCN(C(=O)/C(F)=C/CC)C(C)C 865163641 583323565 /nfs/dbraw/zinc/32/35/65/583323565.db2.gz NDTWRPNDWIVBIB-YFHOEESVSA-N 0 0 199.269 2.673 10 30 AFEERN C=CCN(C(=O)/C(F)=C\CC)C(C)C 865163640 583323833 /nfs/dbraw/zinc/32/38/33/583323833.db2.gz NDTWRPNDWIVBIB-JXMROGBWSA-N 0 0 199.269 2.673 10 30 AFEERN C=CCSCc1coc(C2CC2)n1 865279088 583323954 /nfs/dbraw/zinc/32/39/54/583323954.db2.gz CUFRATGNDDFEKT-UHFFFAOYSA-N 0 0 195.287 2.971 10 30 AFEERN C#CCCCCCSCC(C)=O 865359070 583324374 /nfs/dbraw/zinc/32/43/74/583324374.db2.gz SWJPKSRRSBYNTC-UHFFFAOYSA-N 0 0 184.304 2.502 10 30 AFEERN C#CCCCCCS[C@H](C)C(C)=O 865359264 583324378 /nfs/dbraw/zinc/32/43/78/583324378.db2.gz XIDLCUSMAOBDIJ-LLVKDONJSA-N 0 0 198.331 2.891 10 30 AFEERN C#CCCCCCS[C@@H](C)C(C)=O 865359265 583324622 /nfs/dbraw/zinc/32/46/22/583324622.db2.gz XIDLCUSMAOBDIJ-NSHDSACASA-N 0 0 198.331 2.891 10 30 AFEERN C=CCOCSc1ccc(C)cn1 865352696 583324752 /nfs/dbraw/zinc/32/47/52/583324752.db2.gz FSQUHBVTAIGTDN-UHFFFAOYSA-N 0 0 195.287 2.642 10 30 AFEERN C=C(C)Cn1cnc(C(C)(C)C)c1 865374572 583325191 /nfs/dbraw/zinc/32/51/91/583325191.db2.gz HPKPVJOYSVPJLF-UHFFFAOYSA-N 0 0 178.279 2.757 10 30 AFEERN C#CCCCn1cnc(C(C)(C)C)c1 865376169 583325266 /nfs/dbraw/zinc/32/52/66/583325266.db2.gz CFMHPNCKNONWCU-UHFFFAOYSA-N 0 0 190.290 2.594 10 30 AFEERN C[C@H](SCCC#N)C(=O)C(C)(C)C 865370259 583325299 /nfs/dbraw/zinc/32/52/99/583325299.db2.gz KGHQJHHVXJQHCS-QMMMGPOBSA-N 0 0 199.319 2.637 10 30 AFEERN C=CCSCCC[C@H](O)CCC 865380410 583325436 /nfs/dbraw/zinc/32/54/36/583325436.db2.gz NLVPKYUCFJCCCF-SNVBAGLBSA-N 0 0 188.336 2.847 10 30 AFEERN C=CCSCCC[C@@H](O)CCC 865380409 583325475 /nfs/dbraw/zinc/32/54/75/583325475.db2.gz NLVPKYUCFJCCCF-JTQLQIEISA-N 0 0 188.336 2.847 10 30 AFEERN C#CCCCCCSCCC#N 865369975 583325608 /nfs/dbraw/zinc/32/56/08/583325608.db2.gz FVZRXNRVEDEUTQ-UHFFFAOYSA-N 0 0 181.304 2.827 10 30 AFEERN C[C@@H](SCCC#N)C(=O)C(C)(C)C 865370256 583325803 /nfs/dbraw/zinc/32/58/03/583325803.db2.gz KGHQJHHVXJQHCS-MRVPVSSYSA-N 0 0 199.319 2.637 10 30 AFEERN C=CCOCSc1ncccc1C 865367344 583325813 /nfs/dbraw/zinc/32/58/13/583325813.db2.gz BKYCPUNBZVFLPR-UHFFFAOYSA-N 0 0 195.287 2.642 10 30 AFEERN C=CCCCN(C)C(=O)/C(F)=C\CC 865973798 583328819 /nfs/dbraw/zinc/32/88/19/583328819.db2.gz JOGLTVRHGABFIZ-CSKARUKUSA-N 0 0 199.269 2.674 10 30 AFEERN C=CCCCN(C)C(=O)/C(F)=C/CC 865973799 583328862 /nfs/dbraw/zinc/32/88/62/583328862.db2.gz JOGLTVRHGABFIZ-NTMALXAHSA-N 0 0 199.269 2.674 10 30 AFEERN C=CCCCCNC(=O)/C(F)=C/CC 867472658 583333568 /nfs/dbraw/zinc/33/35/68/583333568.db2.gz WNYAZCIIYSRSSD-NTMALXAHSA-N 0 0 199.269 2.722 10 30 AFEERN C=CCCCCNC(=O)/C(F)=C\CC 867472657 583333764 /nfs/dbraw/zinc/33/37/64/583333764.db2.gz WNYAZCIIYSRSSD-CSKARUKUSA-N 0 0 199.269 2.722 10 30 AFEERN C=CC[C@@H](CC)NC(=O)/C(F)=C/CC 868018183 583336464 /nfs/dbraw/zinc/33/64/64/583336464.db2.gz HHGHXNIHQSWJDO-URLRMUCDSA-N 0 0 199.269 2.721 10 30 AFEERN C=CC[C@H](CC)NC(=O)/C(F)=C\CC 868018184 583336685 /nfs/dbraw/zinc/33/66/85/583336685.db2.gz HHGHXNIHQSWJDO-WKMLFNHBSA-N 0 0 199.269 2.721 10 30 AFEERN C=CC[C@@H](CC)NC(=O)/C(F)=C\CC 868018182 583336714 /nfs/dbraw/zinc/33/67/14/583336714.db2.gz HHGHXNIHQSWJDO-NCXKZPMSSA-N 0 0 199.269 2.721 10 30 AFEERN C=CC[C@H](CC)NC(=O)/C(F)=C/CC 868018181 583336739 /nfs/dbraw/zinc/33/67/39/583336739.db2.gz HHGHXNIHQSWJDO-CUQRQBARSA-N 0 0 199.269 2.721 10 30 AFEERN C=CC(C)(C)CNC(=O)/C(F)=C/CC 868704085 583338442 /nfs/dbraw/zinc/33/84/42/583338442.db2.gz OAAQCORLNMRWDL-CLFYSBASSA-N 0 0 199.269 2.578 10 30 AFEERN C=CC(C)(C)CNC(=O)/C(F)=C\CC 868704086 583338518 /nfs/dbraw/zinc/33/85/18/583338518.db2.gz OAAQCORLNMRWDL-VQHVLOKHSA-N 0 0 199.269 2.578 10 30 AFEERN C=C(C)COC(=O)[C@]12CCCC[C@H]1C2 869705221 583342962 /nfs/dbraw/zinc/34/29/62/583342962.db2.gz CJNHUPCOLZUPRI-JQWIXIFHSA-N 0 0 194.274 2.686 10 30 AFEERN C=C(C)COC(=O)[C@@]12CCCC[C@@H]1C2 869705223 583343107 /nfs/dbraw/zinc/34/31/07/583343107.db2.gz CJNHUPCOLZUPRI-ZYHUDNBSSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCCOC(=O)[C@]12CCCC[C@H]1C2 869702431 583343384 /nfs/dbraw/zinc/34/33/84/583343384.db2.gz NYSHKQDMFIZMCS-JQWIXIFHSA-N 0 0 194.274 2.686 10 30 AFEERN C=CCCOC(=O)[C@@]12CCCC[C@@H]1C2 869702433 583343577 /nfs/dbraw/zinc/34/35/77/583343577.db2.gz NYSHKQDMFIZMCS-ZYHUDNBSSA-N 0 0 194.274 2.686 10 30 AFEERN CC[C@H](CC(=O)OCC#N)C(C)(C)C 869803124 583343838 /nfs/dbraw/zinc/34/38/38/583343838.db2.gz ZVASICJUKYXXIC-SECBINFHSA-N 0 0 197.278 2.516 10 30 AFEERN CC[C@@H](CC(=O)OCC#N)C(C)(C)C 869803125 583343961 /nfs/dbraw/zinc/34/39/61/583343961.db2.gz ZVASICJUKYXXIC-VIFPVBQESA-N 0 0 197.278 2.516 10 30 AFEERN C=C[C@H](C)OC(=O)[C@]12CCCC[C@H]1C2 870301408 583346174 /nfs/dbraw/zinc/34/61/74/583346174.db2.gz HFMAYRCHINTGRC-NHCYSSNCSA-N 0 0 194.274 2.684 10 30 AFEERN C=C[C@H](C)OC(=O)[C@@]12CCCC[C@@H]1C2 870301406 583346180 /nfs/dbraw/zinc/34/61/80/583346180.db2.gz HFMAYRCHINTGRC-HOSYDEDBSA-N 0 0 194.274 2.684 10 30 AFEERN C=CCC1(COC(C)=O)CCCC1 870574389 583347105 /nfs/dbraw/zinc/34/71/05/583347105.db2.gz GTJUZZIXBQCBHW-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C=CCCC(=O)OC[C@@H]1C[C@H]1C1CC1 870667633 583348417 /nfs/dbraw/zinc/34/84/17/583348417.db2.gz NQDULFMWWQOCKG-QWRGUYRKSA-N 0 0 194.274 2.542 10 30 AFEERN C=CC(C)(C)CCCNC(=O)C(C)C 871597969 583352016 /nfs/dbraw/zinc/35/20/16/583352016.db2.gz YVMBNEPGMNLRQP-UHFFFAOYSA-N 0 0 197.322 2.751 10 30 AFEERN N#Cc1ccc(CSCC2CC2)o1 871672048 583352773 /nfs/dbraw/zinc/35/27/73/583352773.db2.gz MFSHRENWULHSAL-UHFFFAOYSA-N 0 0 193.271 2.794 10 30 AFEERN N#Cc1ccc(CSC2CCC2)o1 871673560 583352802 /nfs/dbraw/zinc/35/28/02/583352802.db2.gz LFBSBCGUXVVZLM-UHFFFAOYSA-N 0 0 193.271 2.937 10 30 AFEERN CCCSCc1ccc(C#N)o1 871696092 583352913 /nfs/dbraw/zinc/35/29/13/583352913.db2.gz IVYIHQLXTNPPNJ-UHFFFAOYSA-N 0 0 181.260 2.794 10 30 AFEERN C=CCCSCc1ccc(C#N)o1 871698535 583353418 /nfs/dbraw/zinc/35/34/18/583353418.db2.gz BINUONKQFDKVHY-UHFFFAOYSA-N 0 0 193.271 2.961 10 30 AFEERN CC#CCCSC[C@H]1C[C@@H](OC)C1 871712439 583353683 /nfs/dbraw/zinc/35/36/83/583353683.db2.gz LKDOJMRFOTWWKG-PHIMTYICSA-N 0 0 198.331 2.558 10 30 AFEERN C#CCCCSC[C@H]1C[C@@H](OC)C1 871699507 583353698 /nfs/dbraw/zinc/35/36/98/583353698.db2.gz KEZPSGLZSJDBPZ-PHIMTYICSA-N 0 0 198.331 2.558 10 30 AFEERN C=CCCSC[C@H]1C[C@@H](OC)C1 871699315 583353703 /nfs/dbraw/zinc/35/37/03/583353703.db2.gz YUHMDIMWAQNKKS-AOOOYVTPSA-N 0 0 186.320 2.721 10 30 AFEERN C=C(C)CSCc1ccc(C#N)o1 871698882 583353731 /nfs/dbraw/zinc/35/37/31/583353731.db2.gz NENIOZMCKNMPFB-UHFFFAOYSA-N 0 0 193.271 2.961 10 30 AFEERN C#CCCCSCc1nocc1C 871699362 583353853 /nfs/dbraw/zinc/35/38/53/583353853.db2.gz DUXVJBIJMIXRRF-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN CC#CCCSCc1nocc1C 871713723 583353901 /nfs/dbraw/zinc/35/39/01/583353901.db2.gz AXQSKZNJNNPWLI-UHFFFAOYSA-N 0 0 195.287 2.630 10 30 AFEERN C/C=C\CSCc1ccc(C#N)o1 871698137 583353951 /nfs/dbraw/zinc/35/39/51/583353951.db2.gz LLURBFCGENWTJT-IHWYPQMZSA-N 0 0 193.271 2.961 10 30 AFEERN Cc1cccc(C#N)c1SCCF 871690896 583353997 /nfs/dbraw/zinc/35/39/97/583353997.db2.gz ICCQXMWRESUUTA-UHFFFAOYSA-N 0 0 195.262 2.928 10 30 AFEERN CC(C)SCc1ccc(C#N)o1 871697257 583354090 /nfs/dbraw/zinc/35/40/90/583354090.db2.gz WHQVXAZTWSMIDH-UHFFFAOYSA-N 0 0 181.260 2.793 10 30 AFEERN C=CCCSCc1nocc1C 871698753 583354121 /nfs/dbraw/zinc/35/41/21/583354121.db2.gz IMXJFHHHYQUWLV-UHFFFAOYSA-N 0 0 183.276 2.792 10 30 AFEERN Cc1conc1CSCCCC#N 871716135 583354129 /nfs/dbraw/zinc/35/41/29/583354129.db2.gz YQUICUQEQBYXMF-UHFFFAOYSA-N 0 0 196.275 2.520 10 30 AFEERN N#Cc1ccc(CSCCCF)o1 871699965 583354138 /nfs/dbraw/zinc/35/41/38/583354138.db2.gz GEQOIBXRDQDMEN-UHFFFAOYSA-N 0 0 199.250 2.744 10 30 AFEERN CC1(C)CC(ON=C2CCC2)C1 871733443 583354187 /nfs/dbraw/zinc/35/41/87/583354187.db2.gz HTWAKFZWLDMITC-UHFFFAOYSA-N 0 0 167.252 2.732 10 30 AFEERN C=C(C)CSC[C@H]1C[C@@H](OC)C1 871698512 583354193 /nfs/dbraw/zinc/35/41/93/583354193.db2.gz ALGIGONOWMHZGQ-AOOOYVTPSA-N 0 0 186.320 2.721 10 30 AFEERN C/C=C/CSCc1ccc(C#N)o1 871698138 583354244 /nfs/dbraw/zinc/35/42/44/583354244.db2.gz LLURBFCGENWTJT-NSCUHMNNSA-N 0 0 193.271 2.961 10 30 AFEERN C=CCSC1CC(CF)(CF)C1 871698200 583354405 /nfs/dbraw/zinc/35/44/05/583354405.db2.gz OFNDHYIXAJKQHG-UHFFFAOYSA-N 0 0 192.274 2.993 10 30 AFEERN C(=NOCC1CC2(CCC2)C1)C1CC1 871761144 583355390 /nfs/dbraw/zinc/35/53/90/583355390.db2.gz XFILSMHDFNONSP-UHFFFAOYSA-N 0 0 193.290 2.979 10 30 AFEERN Cc1cc(F)c(C#N)cc1NC(C)C 871871212 583356387 /nfs/dbraw/zinc/35/63/87/583356387.db2.gz VNDSMHUWCMKVAW-UHFFFAOYSA-N 0 0 192.237 2.826 10 30 AFEERN C=CCC1(C=NOC)CCCC1 872341063 583362514 /nfs/dbraw/zinc/36/25/14/583362514.db2.gz AUEPTXFHBLLIGH-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN CC(C)CON=C1CCOC(C)(C)C1 872359375 583363254 /nfs/dbraw/zinc/36/32/54/583363254.db2.gz BRTRSDGELNHRQQ-UHFFFAOYSA-N 0 0 199.294 2.604 10 30 AFEERN C=C[C@@H](C)ON=CC1(C(C)C)CC1 872388048 583363745 /nfs/dbraw/zinc/36/37/45/583363745.db2.gz ZFNACUPHFMOBGW-SNVBAGLBSA-N 0 0 181.279 3.000 10 30 AFEERN C=CCC1(C=NNC2CC2)CCCC1 872365518 583364123 /nfs/dbraw/zinc/36/41/23/583364123.db2.gz UWMSAGRHYBFOLE-UHFFFAOYSA-N 0 0 192.306 2.861 10 30 AFEERN C=CCNN=CC1(CC=C)CCCC1 872373510 583364197 /nfs/dbraw/zinc/36/41/97/583364197.db2.gz JBXBGOKUGBTEMP-UHFFFAOYSA-N 0 0 192.306 2.884 10 30 AFEERN C#CCON=CC1(CC=C)CCCC1 872374840 583364524 /nfs/dbraw/zinc/36/45/24/583364524.db2.gz LKQHQYOJISBWJK-UHFFFAOYSA-N 0 0 191.274 2.759 10 30 AFEERN C(CCCC1CC1)=NOCC1CC1 872378802 583365238 /nfs/dbraw/zinc/36/52/38/583365238.db2.gz QDFFEYYDLCAONG-UHFFFAOYSA-N 0 0 181.279 2.979 10 30 AFEERN C=CCON=C[C@@H]1CCC(F)(F)C1 872380353 583365292 /nfs/dbraw/zinc/36/52/92/583365292.db2.gz ZOZGOYNXQNRIBS-MRVPVSSYSA-N 0 0 189.205 2.610 10 30 AFEERN C=CCON=CC1(C(C)C)CC1 872379686 583365447 /nfs/dbraw/zinc/36/54/47/583365447.db2.gz HQNBTEZZTMHUNQ-UHFFFAOYSA-N 0 0 167.252 2.611 10 30 AFEERN C=CCON=CCCCC1CC1 872379633 583365702 /nfs/dbraw/zinc/36/57/02/583365702.db2.gz FVBBGAGLYIRUGW-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN C=CCON=CC1(C)CCCC1 872380282 583365706 /nfs/dbraw/zinc/36/57/06/583365706.db2.gz YGZISVDBMZRMRJ-UHFFFAOYSA-N 0 0 167.252 2.755 10 30 AFEERN C#CCNN=C1CCCCCC1(C)C 872379544 583365755 /nfs/dbraw/zinc/36/57/55/583365755.db2.gz CBWGWWBJCRGSGT-UHFFFAOYSA-N 0 0 192.306 2.556 10 30 AFEERN C=CCON=C[C@H]1CCC(F)(F)C1 872380354 583365870 /nfs/dbraw/zinc/36/58/70/583365870.db2.gz ZOZGOYNXQNRIBS-QMMMGPOBSA-N 0 0 189.205 2.610 10 30 AFEERN C=C[C@H](C)ON=CC1(C(C)C)CC1 872388047 583366965 /nfs/dbraw/zinc/36/69/65/583366965.db2.gz ZFNACUPHFMOBGW-JTQLQIEISA-N 0 0 181.279 3.000 10 30 AFEERN C1CCC2(CC1)CC(=NN1CCC1)C2 872398488 583368434 /nfs/dbraw/zinc/36/84/34/583368434.db2.gz SKXCRAZTTRXCPZ-UHFFFAOYSA-N 0 0 192.306 2.792 10 30 AFEERN C=CC(C)(C)CCCNC(=O)CC 872544690 583368965 /nfs/dbraw/zinc/36/89/65/583368965.db2.gz HRFLDWXGJONIMG-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=CCC1(C=NN2CCC2)CCCC1 872398972 583369116 /nfs/dbraw/zinc/36/91/16/583369116.db2.gz PIJAIKRGWCIMHY-UHFFFAOYSA-N 0 0 192.306 2.814 10 30 AFEERN C=CCCC(=O)O[C@H](C)[C@@H]1CC12CC2 873626742 583374969 /nfs/dbraw/zinc/37/49/69/583374969.db2.gz KMCMXYMXXGCYRQ-ZJUUUORDSA-N 0 0 194.274 2.684 10 30 AFEERN C=CCCC(=O)O[C@H](C)[C@H]1CC12CC2 873626741 583375293 /nfs/dbraw/zinc/37/52/93/583375293.db2.gz KMCMXYMXXGCYRQ-NXEZZACHSA-N 0 0 194.274 2.684 10 30 AFEERN C=CCN(C(=O)OC(C)(C)C)C1CC1 126010512 583387338 /nfs/dbraw/zinc/38/73/38/583387338.db2.gz CRAMQMBFOXFHPE-UHFFFAOYSA-N 0 0 197.278 2.572 10 30 AFEERN C=C/C=C\CCn1cc(C)c(C#N)c1 877878630 583398146 /nfs/dbraw/zinc/39/81/46/583398146.db2.gz BLENVLSQXOEAGO-PLNGDYQASA-N 0 0 186.258 2.801 10 30 AFEERN C=C/C=C/CCn1cc(C)c(C#N)c1 877878631 583398269 /nfs/dbraw/zinc/39/82/69/583398269.db2.gz BLENVLSQXOEAGO-SNAWJCMRSA-N 0 0 186.258 2.801 10 30 AFEERN C=CCNC(=O)[C@@]1(C)CCC[C@@H]1CC 877956371 583401272 /nfs/dbraw/zinc/40/12/72/583401272.db2.gz YWWHXCPHBWLRAR-JQWIXIFHSA-N 0 0 195.306 2.505 10 30 AFEERN C=CC(C)(C)CC(=O)N1CCCCC1 877908040 583400076 /nfs/dbraw/zinc/40/00/76/583400076.db2.gz HRRDDORPRVGQAN-UHFFFAOYSA-N 0 0 195.306 2.601 10 30 AFEERN C=CCNC(=O)[C@@]1(C)CCC[C@H]1CC 877956372 583400597 /nfs/dbraw/zinc/40/05/97/583400597.db2.gz YWWHXCPHBWLRAR-PWSUYJOCSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCNC(=O)[C@]1(C)CCC[C@@H]1CC 877956370 583400975 /nfs/dbraw/zinc/40/09/75/583400975.db2.gz YWWHXCPHBWLRAR-CMPLNLGQSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCNC(=O)[C@]1(C)CCC[C@H]1CC 877956373 583401153 /nfs/dbraw/zinc/40/11/53/583401153.db2.gz YWWHXCPHBWLRAR-ZYHUDNBSSA-N 0 0 195.306 2.505 10 30 AFEERN C=CC(C)(C)CC(=O)N[C@@H](C)C1CC1 877978446 583401845 /nfs/dbraw/zinc/40/18/45/583401845.db2.gz GHSZBBXWLIJMEM-VIFPVBQESA-N 0 0 195.306 2.503 10 30 AFEERN C=CC[C@H](C)N(C)Cc1cscn1 877996363 583402846 /nfs/dbraw/zinc/40/28/46/583402846.db2.gz QVFWYHQRVDDHDA-VIFPVBQESA-N 0 0 196.319 2.540 10 30 AFEERN C=CC[C@@H](C)N(C)Cc1cscn1 877996359 583402991 /nfs/dbraw/zinc/40/29/91/583402991.db2.gz QVFWYHQRVDDHDA-SECBINFHSA-N 0 0 196.319 2.540 10 30 AFEERN C=CC(C)(C)CC(=O)N(C)CCCC 878007371 583403146 /nfs/dbraw/zinc/40/31/46/583403146.db2.gz CULYTLHRHKVVSK-UHFFFAOYSA-N 0 0 197.322 2.847 10 30 AFEERN C=CC[C@@H](C)[N@H+](C)Cc1nccs1 878155767 583405975 /nfs/dbraw/zinc/40/59/75/583405975.db2.gz LIHVBVWWSJFDDF-SECBINFHSA-N 0 0 196.319 2.540 10 30 AFEERN C=CC[C@H](C)[N@H+](C)Cc1nccs1 878155768 583406609 /nfs/dbraw/zinc/40/66/09/583406609.db2.gz LIHVBVWWSJFDDF-VIFPVBQESA-N 0 0 196.319 2.540 10 30 AFEERN C=C/C=C/CCN(CC=C)CCC#N 878639291 583412762 /nfs/dbraw/zinc/41/27/62/583412762.db2.gz GWETVFUYGHJBIJ-AATRIKPKSA-N 0 0 190.290 2.520 10 30 AFEERN C=C/C=C\CCN(CC=C)CCC#N 878639292 583413126 /nfs/dbraw/zinc/41/31/26/583413126.db2.gz GWETVFUYGHJBIJ-WAYWQWQTSA-N 0 0 190.290 2.520 10 30 AFEERN C=CC[C@@H](C)N1CCCC(F)(F)C1 878803850 583414314 /nfs/dbraw/zinc/41/43/14/583414314.db2.gz IMBNVBRIHFCCDQ-SECBINFHSA-N 0 0 189.249 2.682 10 30 AFEERN C=CC[C@H](C)N1CCCC(F)(F)C1 878803851 583414668 /nfs/dbraw/zinc/41/46/68/583414668.db2.gz IMBNVBRIHFCCDQ-VIFPVBQESA-N 0 0 189.249 2.682 10 30 AFEERN C=CC(C)(C)CC(=O)N(C)CC(=C)C 879410796 583419117 /nfs/dbraw/zinc/41/91/17/583419117.db2.gz BYIPPPVSPLZRRN-UHFFFAOYSA-N 0 0 195.306 2.623 10 30 AFEERN C=CCCN(C)C(=O)CC(C)(C)C=C 879688403 583422187 /nfs/dbraw/zinc/42/21/87/583422187.db2.gz HPYBODHKFYXEHS-UHFFFAOYSA-N 0 0 195.306 2.623 10 30 AFEERN C=CC(C)(C)CC(=O)N1[C@@H](C)C[C@@H]1C 879822340 583423220 /nfs/dbraw/zinc/42/32/20/583423220.db2.gz QAVDVWQMWOCBAJ-UWVGGRQHSA-N 0 0 195.306 2.598 10 30 AFEERN C=CC(C)(C)CC(=O)N1[C@@H](C)C[C@H]1C 879822338 583424430 /nfs/dbraw/zinc/42/44/30/583424430.db2.gz QAVDVWQMWOCBAJ-AOOOYVTPSA-N 0 0 195.306 2.598 10 30 AFEERN C=CC[C@@H](C)N1OC2CCC1CC2 879800923 583424627 /nfs/dbraw/zinc/42/46/27/583424627.db2.gz XQJOCFQQMBFSRZ-KPPDAEKUSA-N 0 0 181.279 2.509 10 30 AFEERN C=CC[C@H](C)N1OC2CCC1CC2 879800924 583424743 /nfs/dbraw/zinc/42/47/43/583424743.db2.gz XQJOCFQQMBFSRZ-WHXUTIOJSA-N 0 0 181.279 2.509 10 30 AFEERN C=CC(C)(C)CC(=O)N1[C@H](C)C[C@H]1C 879822339 583424748 /nfs/dbraw/zinc/42/47/48/583424748.db2.gz QAVDVWQMWOCBAJ-NXEZZACHSA-N 0 0 195.306 2.598 10 30 AFEERN C=CC[N@@H+]1CCc2ccsc2[C@@H]1C 880378415 583430761 /nfs/dbraw/zinc/43/07/61/583430761.db2.gz UAKQUUALNIBIQZ-VIFPVBQESA-N 0 0 193.315 2.853 10 30 AFEERN C=CC[N@@H+]1CCc2ccsc2[C@H]1C 880378405 583431022 /nfs/dbraw/zinc/43/10/22/583431022.db2.gz UAKQUUALNIBIQZ-SECBINFHSA-N 0 0 193.315 2.853 10 30 AFEERN C=CC[C@H](C)Sc1nncs1 882053262 583449164 /nfs/dbraw/zinc/44/91/64/583449164.db2.gz URSWRJUBJAVOQA-LURJTMIESA-N 0 0 186.305 2.595 10 30 AFEERN C=CCCC(=O)NCC[C@H](C)CCC 881530122 583444718 /nfs/dbraw/zinc/44/47/18/583444718.db2.gz VSOWAPWYVXSHNV-LLVKDONJSA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCC(=O)NC[C@@]1(C)CC1(C)C 881541975 583444723 /nfs/dbraw/zinc/44/47/23/583444723.db2.gz SFOUVBPTWPXVGT-GFCCVEGCSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCCC(=O)NCC[C@@H](C)CCC 881530123 583445014 /nfs/dbraw/zinc/44/50/14/583445014.db2.gz VSOWAPWYVXSHNV-NSHDSACASA-N 0 0 197.322 2.895 10 30 AFEERN C=CCCC(=O)NC[C@]1(C)CC1(C)C 881541976 583445072 /nfs/dbraw/zinc/44/50/72/583445072.db2.gz SFOUVBPTWPXVGT-LBPRGKRZSA-N 0 0 195.306 2.505 10 30 AFEERN C=CCC[C@H](C)OC(=O)CCC 211903939 583448346 /nfs/dbraw/zinc/44/83/46/583448346.db2.gz XBAJJSVJUHQTJL-VIFPVBQESA-N 0 0 170.252 2.684 10 30 AFEERN C=CC[C@H](C)Sc1cnccn1 882129544 583448533 /nfs/dbraw/zinc/44/85/33/583448533.db2.gz UUJHCCRXKPNLGE-QMMMGPOBSA-N 0 0 180.276 2.533 10 30 AFEERN C=CC[C@H](C)SC1=NCCS1 882034521 583448571 /nfs/dbraw/zinc/44/85/71/583448571.db2.gz UDQAJAFGHPHISC-ZETCQYMHSA-N 0 0 187.333 2.787 10 30 AFEERN C=CC[C@@H](C)SC1=NCCS1 882034520 583448599 /nfs/dbraw/zinc/44/85/99/583448599.db2.gz UDQAJAFGHPHISC-SSDOTTSWSA-N 0 0 187.333 2.787 10 30 AFEERN C=CC[C@@H](C)Sc1nccn1CC 882089938 583448618 /nfs/dbraw/zinc/44/86/18/583448618.db2.gz VIMONBIOODIRGJ-SECBINFHSA-N 0 0 196.319 2.960 10 30 AFEERN C=CC[C@@H](C)Sc1ncc(C)cn1 882106369 583448635 /nfs/dbraw/zinc/44/86/35/583448635.db2.gz BQWRJMLUCKBYQU-SECBINFHSA-N 0 0 194.303 2.842 10 30 AFEERN C=CC[C@H](C)SC[C@@H]1CCCO1 882155556 583448712 /nfs/dbraw/zinc/44/87/12/583448712.db2.gz HTPRFVVVYUKDPU-UWVGGRQHSA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@H](C)SC[C@H]1CCCO1 882155557 583448725 /nfs/dbraw/zinc/44/87/25/583448725.db2.gz HTPRFVVVYUKDPU-VHSXEESVSA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@@H](C)Sc1cnccn1 882129543 583448728 /nfs/dbraw/zinc/44/87/28/583448728.db2.gz UUJHCCRXKPNLGE-MRVPVSSYSA-N 0 0 180.276 2.533 10 30 AFEERN C=CC[C@@H](C)Sc1nncs1 882053271 583448734 /nfs/dbraw/zinc/44/87/34/583448734.db2.gz URSWRJUBJAVOQA-ZCFIWIBFSA-N 0 0 186.305 2.595 10 30 AFEERN C=CC[C@@H](C)SC[C@@H]1CCCO1 882155558 583448750 /nfs/dbraw/zinc/44/87/50/583448750.db2.gz HTPRFVVVYUKDPU-ZJUUUORDSA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@H](C)Sc1ncccn1 882036582 583449061 /nfs/dbraw/zinc/44/90/61/583449061.db2.gz GPRNZFBYXOMGQW-QMMMGPOBSA-N 0 0 180.276 2.533 10 30 AFEERN C=CC[C@H](C)Sc1ncc(C)cn1 882106370 583449108 /nfs/dbraw/zinc/44/91/08/583449108.db2.gz BQWRJMLUCKBYQU-VIFPVBQESA-N 0 0 194.303 2.842 10 30 AFEERN C=CC[C@H](C)Sc1nccn1CC 882089941 583449235 /nfs/dbraw/zinc/44/92/35/583449235.db2.gz VIMONBIOODIRGJ-VIFPVBQESA-N 0 0 196.319 2.960 10 30 AFEERN C=CC[C@@H](C)Sc1ncccn1 882036581 583449252 /nfs/dbraw/zinc/44/92/52/583449252.db2.gz GPRNZFBYXOMGQW-MRVPVSSYSA-N 0 0 180.276 2.533 10 30 AFEERN C=CC[C@H](C)S[C@@H]1CCCOC1 882153213 583449380 /nfs/dbraw/zinc/44/93/80/583449380.db2.gz PKKUDENFZWPFIQ-VHSXEESVSA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@@H](C)S[C@H](C)C(C)=O 882134212 583449437 /nfs/dbraw/zinc/44/94/37/583449437.db2.gz CRYQRXXNWRMQCR-VXNVDRBHSA-N 0 0 172.293 2.662 10 30 AFEERN C=CC[C@@H](C)Sc1ncco1 882160201 583449530 /nfs/dbraw/zinc/44/95/30/583449530.db2.gz KZJWRGMIGVEKAP-SSDOTTSWSA-N 0 0 169.249 2.731 10 30 AFEERN C=CC[C@H](C)S[C@H](C)C(C)=O 882134211 583449536 /nfs/dbraw/zinc/44/95/36/583449536.db2.gz CRYQRXXNWRMQCR-IONNQARKSA-N 0 0 172.293 2.662 10 30 AFEERN C=CC[C@H](C)S[C@H]1CCO[C@@H]1C 882148546 583449559 /nfs/dbraw/zinc/44/95/59/583449559.db2.gz MWUXSTJNBXOEOZ-AEJSXWLSSA-N 0 0 186.320 2.862 10 30 AFEERN C=CC[C@@H](C)S[C@@H](C)C(C)=O 882134208 583449503 /nfs/dbraw/zinc/44/95/03/583449503.db2.gz CRYQRXXNWRMQCR-APPZFPTMSA-N 0 0 172.293 2.662 10 30 AFEERN C=CC[C@H](C)S[C@@H]1CCO[C@@H]1C 882148550 583449616 /nfs/dbraw/zinc/44/96/16/583449616.db2.gz MWUXSTJNBXOEOZ-IVZWLZJFSA-N 0 0 186.320 2.862 10 30 AFEERN C=CC[C@@H](C)S[C@H]1CCCOC1 882153214 583449623 /nfs/dbraw/zinc/44/96/23/583449623.db2.gz PKKUDENFZWPFIQ-ZJUUUORDSA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@H](C)Sc1ncco1 882160202 583449649 /nfs/dbraw/zinc/44/96/49/583449649.db2.gz KZJWRGMIGVEKAP-ZETCQYMHSA-N 0 0 169.249 2.731 10 30 AFEERN C=CC[C@H](C)Sc1cccnn1 882153964 583449657 /nfs/dbraw/zinc/44/96/57/583449657.db2.gz VDULDKWOOPJWNT-QMMMGPOBSA-N 0 0 180.276 2.533 10 30 AFEERN C=CC[C@H](C)S[C@H]1CCO[C@H]1C 882148548 583449660 /nfs/dbraw/zinc/44/96/60/583449660.db2.gz MWUXSTJNBXOEOZ-GUBZILKMSA-N 0 0 186.320 2.862 10 30 AFEERN C=CC[C@H](C)S[C@@H](C)C(C)=O 882134209 583449673 /nfs/dbraw/zinc/44/96/73/583449673.db2.gz CRYQRXXNWRMQCR-CBAPKCEASA-N 0 0 172.293 2.662 10 30 AFEERN C=CC[C@H](C)S[C@@H]1CCO[C@H]1C 882148551 583449689 /nfs/dbraw/zinc/44/96/89/583449689.db2.gz MWUXSTJNBXOEOZ-LPEHRKFASA-N 0 0 186.320 2.862 10 30 AFEERN C=CC[C@@H](C)Sc1cccnn1 882153962 583449699 /nfs/dbraw/zinc/44/96/99/583449699.db2.gz VDULDKWOOPJWNT-MRVPVSSYSA-N 0 0 180.276 2.533 10 30 AFEERN C=CC[C@H](C)SC1CCOCC1 882149403 583449712 /nfs/dbraw/zinc/44/97/12/583449712.db2.gz SJFDKLZARPLRTA-VIFPVBQESA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@@H](C)S[C@@H]1CCCOC1 882153211 583449741 /nfs/dbraw/zinc/44/97/41/583449741.db2.gz PKKUDENFZWPFIQ-NXEZZACHSA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@H](C)Sc1ccc(C)nn1 882128848 583449752 /nfs/dbraw/zinc/44/97/52/583449752.db2.gz YNMARKRHJCDORG-VIFPVBQESA-N 0 0 194.303 2.842 10 30 AFEERN C=CC[C@@H](C)Sc1ccc(C)nn1 882128847 583449770 /nfs/dbraw/zinc/44/97/70/583449770.db2.gz YNMARKRHJCDORG-SECBINFHSA-N 0 0 194.303 2.842 10 30 AFEERN C=CC[C@@H](C)SC[C@H]1CCCO1 882155555 583449827 /nfs/dbraw/zinc/44/98/27/583449827.db2.gz HTPRFVVVYUKDPU-NXEZZACHSA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@H](C)S[C@H]1CCCOC1 882153212 583449897 /nfs/dbraw/zinc/44/98/97/583449897.db2.gz PKKUDENFZWPFIQ-UWVGGRQHSA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@@H](C)SC1CCOCC1 882149400 583449928 /nfs/dbraw/zinc/44/99/28/583449928.db2.gz SJFDKLZARPLRTA-SECBINFHSA-N 0 0 186.320 2.863 10 30 AFEERN C=CC[C@@H](C)SCc1cnn(C)c1 882199429 583450070 /nfs/dbraw/zinc/45/00/70/583450070.db2.gz PQSDYLYBWLRALD-SECBINFHSA-N 0 0 196.319 2.618 10 30 AFEERN C=C/C=C\CCSCCC#N 882176937 583450231 /nfs/dbraw/zinc/45/02/31/583450231.db2.gz DAPYEVMCPQOVFQ-ARJAWSKDSA-N 0 0 167.277 2.766 10 30 AFEERN C=C/C=C/CCSCCC#N 882176938 583450315 /nfs/dbraw/zinc/45/03/15/583450315.db2.gz DAPYEVMCPQOVFQ-ONEGZZNKSA-N 0 0 167.277 2.766 10 30 AFEERN C=CC[C@@H](C)SCCC(C)(C)O 882204021 583450402 /nfs/dbraw/zinc/45/04/02/583450402.db2.gz DULQJPGBWPQWBS-SECBINFHSA-N 0 0 188.336 2.845 10 30 AFEERN C=CC[C@H](C)SCCC#N 882177171 583450597 /nfs/dbraw/zinc/45/05/97/583450597.db2.gz KPFIZKBPWJYZRA-QMMMGPOBSA-N 0 0 155.266 2.598 10 30 AFEERN C=CC[C@@H](C)SCCC#N 882177170 583450753 /nfs/dbraw/zinc/45/07/53/583450753.db2.gz KPFIZKBPWJYZRA-MRVPVSSYSA-N 0 0 155.266 2.598 10 30 AFEERN C=CC[C@H](C)SCCC(C)(C)O 882204022 583450813 /nfs/dbraw/zinc/45/08/13/583450813.db2.gz DULQJPGBWPQWBS-VIFPVBQESA-N 0 0 188.336 2.845 10 30 AFEERN C=CC[C@H](C)SCc1cnn(C)c1 882199431 583450839 /nfs/dbraw/zinc/45/08/39/583450839.db2.gz PQSDYLYBWLRALD-VIFPVBQESA-N 0 0 196.319 2.618 10 30 AFEERN C=CC[C@@H](C)Sc1nnc(CC)o1 882326444 583452074 /nfs/dbraw/zinc/45/20/74/583452074.db2.gz JLNOQNTUAFEEDT-SSDOTTSWSA-N 0 0 198.291 2.689 10 30 AFEERN C=CC[C@H](C)Sc1nnc(CC)o1 882326445 583452212 /nfs/dbraw/zinc/45/22/12/583452212.db2.gz JLNOQNTUAFEEDT-ZETCQYMHSA-N 0 0 198.291 2.689 10 30 AFEERN C=CCNN=C1CCC[C@H](C)CC1 884465140 583477193 /nfs/dbraw/zinc/47/71/93/583477193.db2.gz OVOWVJCUIGWPID-JTQLQIEISA-N 0 0 180.295 2.718 10 30 AFEERN C=CCNN=C1CCC[C@@H](C)CC1 884465141 583477261 /nfs/dbraw/zinc/47/72/61/583477261.db2.gz OVOWVJCUIGWPID-SNVBAGLBSA-N 0 0 180.295 2.718 10 30 AFEERN C=CC[C@@H](CC)Nc1ncc(C)o1 884497443 583478059 /nfs/dbraw/zinc/47/80/59/583478059.db2.gz YQDJTBDZKBHHHE-SECBINFHSA-N 0 0 180.251 2.750 10 30 AFEERN C=CC[C@H](CC)Nc1ncc(C)o1 884497444 583478255 /nfs/dbraw/zinc/47/82/55/583478255.db2.gz YQDJTBDZKBHHHE-VIFPVBQESA-N 0 0 180.251 2.750 10 30 AFEERN C#CCON=C1CCC[C@H](C)CC1 884471102 583478430 /nfs/dbraw/zinc/47/84/30/583478430.db2.gz LJXBBVWDMNKVFS-JTQLQIEISA-N 0 0 179.263 2.592 10 30 AFEERN C#C[C@@H](CC)OC(=O)CCCCCC 215470510 583478490 /nfs/dbraw/zinc/47/84/90/583478490.db2.gz KQGJGUOONRPYBH-NSHDSACASA-N 0 0 196.290 2.912 10 30 AFEERN C#CCON=C1CC(C)(C)CC[C@H]1C 884471533 583478495 /nfs/dbraw/zinc/47/84/95/583478495.db2.gz ZLZXJLGPQCNSLD-SNVBAGLBSA-N 0 0 193.290 2.838 10 30 AFEERN C#CCON=C1CCC[C@@H](C)CC1 884471103 583478535 /nfs/dbraw/zinc/47/85/35/583478535.db2.gz LJXBBVWDMNKVFS-SNVBAGLBSA-N 0 0 179.263 2.592 10 30 AFEERN C=C[C@H]1CCCCN1c1ncc(C)o1 884489028 583478600 /nfs/dbraw/zinc/47/86/00/583478600.db2.gz MXULHJHCDKEKKQ-JTQLQIEISA-N 0 0 192.262 2.528 10 30 AFEERN C#CCON=C1CC(C)(C)CC[C@@H]1C 884471532 583478673 /nfs/dbraw/zinc/47/86/73/583478673.db2.gz ZLZXJLGPQCNSLD-JTQLQIEISA-N 0 0 193.290 2.838 10 30 AFEERN C#C[C@H](CC)OC(=O)CCCCCC 215470454 583478772 /nfs/dbraw/zinc/47/87/72/583478772.db2.gz KQGJGUOONRPYBH-LLVKDONJSA-N 0 0 196.290 2.912 10 30 AFEERN C=C[C@@H]1CCCCN1c1ncc(C)o1 884489029 583478861 /nfs/dbraw/zinc/47/88/61/583478861.db2.gz MXULHJHCDKEKKQ-SNVBAGLBSA-N 0 0 192.262 2.528 10 30 AFEERN C=C/C=C\CCOC(=O)C(C)(C)C=C 884532356 583479291 /nfs/dbraw/zinc/47/92/91/583479291.db2.gz HQNKLTIVSQDDEV-FPLPWBNLSA-N 0 0 194.274 2.874 10 30 AFEERN C=CC(C)(C)CNc1ncc(C)o1 884521459 583479402 /nfs/dbraw/zinc/47/94/02/583479402.db2.gz XSIZJIPICWOISP-UHFFFAOYSA-N 0 0 180.251 2.607 10 30 AFEERN C=C/C=C/CCOC(=O)C(C)(C)C=C 884532355 583479590 /nfs/dbraw/zinc/47/95/90/583479590.db2.gz HQNKLTIVSQDDEV-BQYQJAHWSA-N 0 0 194.274 2.874 10 30 AFEERN C=CCC(C)(C)CNc1ncc(C)o1 884515783 583479628 /nfs/dbraw/zinc/47/96/28/583479628.db2.gz RWHIFGODUQPUSY-UHFFFAOYSA-N 0 0 194.278 2.997 10 30 AFEERN C=CC(C)(C)CCNc1ncc(C)o1 884562547 583480195 /nfs/dbraw/zinc/48/01/95/583480195.db2.gz CZWFASFHDJBFMA-UHFFFAOYSA-N 0 0 194.278 2.997 10 30 AFEERN C=CC[C@@H](C)OC(=O)C#CC(C)(C)C 884545730 583480303 /nfs/dbraw/zinc/48/03/03/583480303.db2.gz QHLMJDCSZIPEFX-SNVBAGLBSA-N 0 0 194.274 2.544 10 30 AFEERN C=CC[C@H](C)OC(=O)C#CC(C)(C)C 884545729 583480386 /nfs/dbraw/zinc/48/03/86/583480386.db2.gz QHLMJDCSZIPEFX-JTQLQIEISA-N 0 0 194.274 2.544 10 30 AFEERN C=CC(C)(C)CC(=O)OC(C)C 884650985 583482191 /nfs/dbraw/zinc/48/21/91/583482191.db2.gz BSGPWSBNJPWDBR-UHFFFAOYSA-N 0 0 170.252 2.540 10 30 AFEERN C=CCCOC(=O)C[C@@H]1C[C@H]1C1CC1 884639711 583482226 /nfs/dbraw/zinc/48/22/26/583482226.db2.gz HQQDHCGNWHXRFO-QWRGUYRKSA-N 0 0 194.274 2.542 10 30 AFEERN C=C(C)COC(=O)C[C@@H]1C[C@H]1C1CC1 884641878 583482335 /nfs/dbraw/zinc/48/23/35/583482335.db2.gz VPGBNUFNAJXPEB-QWRGUYRKSA-N 0 0 194.274 2.542 10 30 AFEERN C=CC(C)(C)CC(=O)OCC1CC1 884649510 583482531 /nfs/dbraw/zinc/48/25/31/583482531.db2.gz FZIKMZNYRCZSCF-UHFFFAOYSA-N 0 0 182.263 2.542 10 30 AFEERN C=CC(C)(C)CC(=O)OCCC#CC 884649555 583482679 /nfs/dbraw/zinc/48/26/79/583482679.db2.gz HQCFDMKWPFRMNR-UHFFFAOYSA-N 0 0 194.274 2.545 10 30 AFEERN C=CC[C@@H](C)OC(=O)c1cc(C)co1 884709348 583482985 /nfs/dbraw/zinc/48/29/85/583482985.db2.gz CTWCAHOMMYJPQE-SECBINFHSA-N 0 0 194.230 2.709 10 30 AFEERN C=CC[C@H](C)OC(=O)c1cc(C)co1 884709349 583483617 /nfs/dbraw/zinc/48/36/17/583483617.db2.gz CTWCAHOMMYJPQE-VIFPVBQESA-N 0 0 194.230 2.709 10 30 AFEERN C=CCCCOC(=O)c1cc(C)co1 884711078 583483980 /nfs/dbraw/zinc/48/39/80/583483980.db2.gz CNCYRMCVJBLVEM-UHFFFAOYSA-N 0 0 194.230 2.711 10 30 AFEERN C=CC[C@H](C)OC(=O)C1(C2CC2)CC1 885730191 583487964 /nfs/dbraw/zinc/48/79/64/583487964.db2.gz DRSOSJMLFZZGJJ-VIFPVBQESA-N 0 0 194.274 2.684 10 30 AFEERN C=CCCCOC(=O)C1(C2CC2)CC1 885733138 583488098 /nfs/dbraw/zinc/48/80/98/583488098.db2.gz PAGPHVFQKYYYEG-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN C=CC[C@@H](C)OC(=O)C1(C2CC2)CC1 885730190 583488157 /nfs/dbraw/zinc/48/81/57/583488157.db2.gz DRSOSJMLFZZGJJ-SECBINFHSA-N 0 0 194.274 2.684 10 30 AFEERN C=C(C)CCOC(=O)C1(C2CC2)CC1 885732498 583488194 /nfs/dbraw/zinc/48/81/94/583488194.db2.gz VMYVCEOUOWZIFJ-UHFFFAOYSA-N 0 0 194.274 2.686 10 30 AFEERN C=C(C(=O)OCC)C1CCCCC1 137288511 583492754 /nfs/dbraw/zinc/49/27/54/583492754.db2.gz FTNCIMPTQZXPJC-UHFFFAOYSA-N 0 0 182.263 2.686 10 30 AFEERN C#CCCC[C@H](C)OC(=O)C(C)(C)C 218855650 583493968 /nfs/dbraw/zinc/49/39/68/583493968.db2.gz FKEOJFSEFNGZBT-JTQLQIEISA-N 0 0 196.290 2.768 10 30 AFEERN C#CCN(C)c1ccc2ccccc2c1 138825779 583501680 /nfs/dbraw/zinc/50/16/80/583501680.db2.gz GTZPIRICHSEXFG-UHFFFAOYSA-N 0 0 195.265 2.909 10 30 AFEERN CC(C)Oc1ccccc1CS 139878714 583505403 /nfs/dbraw/zinc/50/54/03/583505403.db2.gz JAOODXBRLCNRDY-UHFFFAOYSA-N 0 0 182.288 2.904 10 30 AFEERN C=CCCC(=O)NCC(C)(C)C1CC1 887378070 583509271 /nfs/dbraw/zinc/50/92/71/583509271.db2.gz PCTFSMLHWDKHSV-UHFFFAOYSA-N 0 0 195.306 2.505 10 30 AFEERN C=CC(C)(C)CC(=O)O[C@@H](C)C1CC1 889770655 583512606 /nfs/dbraw/zinc/51/26/06/583512606.db2.gz CPJQSHJDZDUFGX-VIFPVBQESA-N 0 0 196.290 2.930 10 30 AFEERN C=CC(C)(C)CC(=O)O[C@H](C)C1CC1 889770654 583512903 /nfs/dbraw/zinc/51/29/03/583512903.db2.gz CPJQSHJDZDUFGX-SECBINFHSA-N 0 0 196.290 2.930 10 30 AFEERN CC(O)=C1Sc2ccccc2C1=O 105338061 583513349 /nfs/dbraw/zinc/51/33/49/583513349.db2.gz REPSGRJZLXGWHO-UXBLZVDNSA-N 0 0 192.239 2.765 10 30 AFEERN C=C(C)CN(C)c1ccc(Cl)cn1 128781359 490046190 /nfs/dbraw/zinc/04/61/90/490046190.db2.gz AMAXBUUWASCDOV-UHFFFAOYSA-N 0 0 196.681 2.747 10 30 AFEERN C=CCSCCCSC 199367758 490063361 /nfs/dbraw/zinc/06/33/61/490063361.db2.gz HFGFYERHAHUDSZ-UHFFFAOYSA-N 0 0 162.323 2.659 10 30 AFEERN CC(C)=CC(C)(C)CC=O 220065820 490074179 /nfs/dbraw/zinc/07/41/79/490074179.db2.gz TUBHXBDXFKHYFV-UHFFFAOYSA-N 0 0 140.226 2.568 10 30 AFEERN CC#CCNc1ccc(C)c(CC)c1 300773088 490101240 /nfs/dbraw/zinc/10/12/40/490101240.db2.gz IQYRYFKKWRXNNL-UHFFFAOYSA-N 0 0 187.286 2.993 10 30 AFEERN C=CCCc1noc(CCCC)n1 351125676 490137407 /nfs/dbraw/zinc/13/74/07/490137407.db2.gz BFZVEZJVVSVDDM-UHFFFAOYSA-N 0 0 180.251 2.531 10 30 AFEERN C#Cc1ccsc1C=C1CC1 584623546 490154105 /nfs/dbraw/zinc/15/41/05/490154105.db2.gz ZRHLNDLXPSWPLJ-UHFFFAOYSA-N 0 0 160.241 2.907 10 30 AFEERN CC(C)[C@@](C)(C=O)c1ccsc1 584623714 490154142 /nfs/dbraw/zinc/15/41/42/490154142.db2.gz AVBPJVYQMPFHAM-SNVBAGLBSA-N 0 0 182.288 2.861 10 30 AFEERN N#CCCCCCNc1cccnc1 584639557 490155533 /nfs/dbraw/zinc/15/55/33/490155533.db2.gz BSCLLMSECIRXOM-UHFFFAOYSA-N 0 0 189.262 2.577 10 30 AFEERN C=C(C1=CC(=O)C2(CC2)C1)C(C)C 584639560 490155584 /nfs/dbraw/zinc/15/55/84/490155584.db2.gz DUQRBLVYAOUOBX-UHFFFAOYSA-N 0 0 176.259 2.878 10 30 AFEERN C=C[C@H](OC(=O)CC)C(C)(C)C 388494272 697970139 /nfs/dbraw/zinc/97/01/39/697970139.db2.gz IVVCVOPMUJXWBM-QMMMGPOBSA-N 0 0 170.252 2.540 10 30 AFEERN CCCCC=NOCCOC(C)C 388771148 697994339 /nfs/dbraw/zinc/99/43/39/697994339.db2.gz GSZBNOGSNOJQHP-UHFFFAOYSA-N 0 0 187.283 2.604 10 30 AFEERN CSc1ccc(C2(C#N)CC2)cc1 35822640 491021197 /nfs/dbraw/zinc/02/11/97/491021197.db2.gz WGXGYOGLBYAQMK-UHFFFAOYSA-N 0 0 189.283 2.964 10 30 AFEERN C=CCCNc1cc(OC)ccc1F 87287148 491030217 /nfs/dbraw/zinc/03/02/17/491030217.db2.gz HOAJLNYNPGDFPP-UHFFFAOYSA-N 0 0 195.237 2.822 10 30 AFEERN C=C(CC(C)=O)c1cccs1 203786504 491040352 /nfs/dbraw/zinc/04/03/52/491040352.db2.gz ZXXDOGDFYKPBOJ-VOTSOKGWSA-N 0 0 166.245 2.740 10 30 AFEERN C=CCSCc1ccccn1 203815003 491040413 /nfs/dbraw/zinc/04/04/13/491040413.db2.gz HRPLMIUADLICQH-UHFFFAOYSA-N 0 0 165.261 2.501 10 30 AFEERN CCCCC#C[C@H](O)C(C)(C)C 196618928 491040158 /nfs/dbraw/zinc/04/01/58/491040158.db2.gz SDKKYLSROCBCSF-JTQLQIEISA-N 0 0 168.280 2.587 10 30 AFEERN C=CCO[P@@](=O)(CC=C)OCC 199860683 491040203 /nfs/dbraw/zinc/04/02/03/491040203.db2.gz TVXXFPQDMQHSPG-GFCCVEGCSA-N 0 0 190.179 2.605 10 30 AFEERN C=CCO[P@](=O)(CC=C)OCC 199860659 491040209 /nfs/dbraw/zinc/04/02/09/491040209.db2.gz TVXXFPQDMQHSPG-LBPRGKRZSA-N 0 0 190.179 2.605 10 30 AFEERN CC#CCOc1cnc2ccccc2c1 228034800 491044311 /nfs/dbraw/zinc/04/43/11/491044311.db2.gz CVMMCXVYIOLNFN-UHFFFAOYSA-N 0 0 197.237 2.637 10 30 AFEERN C=C(C#CCCCCC)CCO 238243988 491045755 /nfs/dbraw/zinc/04/57/55/491045755.db2.gz UPYCAIYFPZLBKX-UHFFFAOYSA-N 0 0 166.264 2.509 10 30 AFEERN CCCCC=C=CC(=O)CCC 238244057 491045788 /nfs/dbraw/zinc/04/57/88/491045788.db2.gz JIOMPHXFYKRJCQ-UHFFFAOYSA-N 0 0 166.264 2.939 10 30 AFEERN C=CCNc1cc(C)cc(OC)c1C 306323593 491048502 /nfs/dbraw/zinc/04/85/02/491048502.db2.gz VNFGZMUKRBGFDN-UHFFFAOYSA-N 0 0 191.274 2.910 10 30 AFEERN C=CCn1ccc(-c2cccs2)n1 306345190 491048888 /nfs/dbraw/zinc/04/88/88/491048888.db2.gz DGDYLLOABVJWBQ-UHFFFAOYSA-N 0 0 190.271 2.798 10 30 AFEERN C=CCOc1cc(F)c(F)cc1C 306348229 491049187 /nfs/dbraw/zinc/04/91/87/491049187.db2.gz HIIBXLASQGGPQK-UHFFFAOYSA-N 0 0 184.185 2.838 10 30 AFEERN CC#CCOc1ccc(SC)cc1 306422512 491050510 /nfs/dbraw/zinc/05/05/10/491050510.db2.gz FIFITDLADHOQOM-UHFFFAOYSA-N 0 0 192.283 2.811 10 30 AFEERN CC#CCOc1ccc(C)c(C)c1 306520053 491052688 /nfs/dbraw/zinc/05/26/88/491052688.db2.gz DHUPRIVDCPHTDP-UHFFFAOYSA-N 0 0 174.243 2.706 10 30 AFEERN C=CCNc1cccc2ccncc12 306964636 491057123 /nfs/dbraw/zinc/05/71/23/491057123.db2.gz MOEKSWCSXLMFSI-UHFFFAOYSA-N 0 0 184.242 2.833 10 30 AFEERN C=C[C@@H](C)Nc1nnc(C(C)C)s1 307333002 491060841 /nfs/dbraw/zinc/06/08/41/491060841.db2.gz FJSDCPWOZOXIMV-SSDOTTSWSA-N 0 0 197.307 2.648 10 30 AFEERN C=C(C)CN(C)c1ccncc1Cl 307342361 491060842 /nfs/dbraw/zinc/06/08/42/491060842.db2.gz HMKPUAAKNPSJSA-UHFFFAOYSA-N 0 0 196.681 2.747 10 30 AFEERN C=C[C@H](C)Nc1nnc(C(C)C)s1 307333003 491060914 /nfs/dbraw/zinc/06/09/14/491060914.db2.gz FJSDCPWOZOXIMV-ZETCQYMHSA-N 0 0 197.307 2.648 10 30 AFEERN C=C(C)CCSc1nncs1 307562741 491064199 /nfs/dbraw/zinc/06/41/99/491064199.db2.gz LGNTVZTZLUOKSB-UHFFFAOYSA-N 0 0 186.305 2.596 10 30 AFEERN C=CCN1CCc2cc(Cl)ccc21 307591540 491064545 /nfs/dbraw/zinc/06/45/45/491064545.db2.gz CMEANPULFQWZNE-UHFFFAOYSA-N 0 0 193.677 2.889 10 30 AFEERN C=CCCc1csc(CC)n1 307645852 491066434 /nfs/dbraw/zinc/06/64/34/491066434.db2.gz AAETZEPQSWMJOL-UHFFFAOYSA-N 0 0 167.277 2.824 10 30 AFEERN C=CCNc1ccc(CC)c(F)c1 307656337 491066648 /nfs/dbraw/zinc/06/66/48/491066648.db2.gz YJMHQBOOYYMLIE-UHFFFAOYSA-N 0 0 179.238 2.986 10 30 AFEERN C=CC[N@H+]1CC=C(C(C)(C)C)CC1 307748849 491070002 /nfs/dbraw/zinc/07/00/02/491070002.db2.gz DKHSALZHQNUJSC-UHFFFAOYSA-N 0 0 179.307 2.851 10 30 AFEERN C=C(C)CCSc1cccnn1 307963688 491073308 /nfs/dbraw/zinc/07/33/08/491073308.db2.gz OYNKBGAJOAGFDL-UHFFFAOYSA-N 0 0 180.276 2.535 10 30 AFEERN C=C(C)CCSc1ncccn1 307970772 491073840 /nfs/dbraw/zinc/07/38/40/491073840.db2.gz XGVWLYQURHXIEC-UHFFFAOYSA-N 0 0 180.276 2.535 10 30 AFEERN C=CCCOc1ccsc1C(C)=O 308140571 491080052 /nfs/dbraw/zinc/08/00/52/491080052.db2.gz IFNYHVDUUUPOKJ-UHFFFAOYSA-N 0 0 196.271 2.906 10 30 AFEERN C=C(CC)CSc1cccnn1 308059945 491077212 /nfs/dbraw/zinc/07/72/12/491077212.db2.gz WAFPUKWIAMMYNL-UHFFFAOYSA-N 0 0 180.276 2.535 10 30 AFEERN C=CCCCNc1ncccc1F 308128106 491078942 /nfs/dbraw/zinc/07/89/42/491078942.db2.gz AJHJUXHFQNWKFW-UHFFFAOYSA-N 0 0 180.226 2.599 10 30 AFEERN C=CCCCNc1ncncc1Cl 308132928 491079252 /nfs/dbraw/zinc/07/92/52/491079252.db2.gz GHDNSWXMEZSDNS-UHFFFAOYSA-N 0 0 197.669 2.508 10 30 AFEERN C=CCCCNC(=O)CCC(C)C 308151327 491081197 /nfs/dbraw/zinc/08/11/97/491081197.db2.gz OMNFEPMHTPEBIZ-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=CCCCNc1ncc(C)s1 308166275 491082150 /nfs/dbraw/zinc/08/21/50/491082150.db2.gz UTNARKTVKYSKRX-UHFFFAOYSA-N 0 0 182.292 2.830 10 30 AFEERN C=CCCCCNc1ccccn1 308176664 491082772 /nfs/dbraw/zinc/08/27/72/491082772.db2.gz AVJURPJHOVGXDC-UHFFFAOYSA-N 0 0 176.263 2.850 10 30 AFEERN C=CCCCNc1ncc(Cl)cn1 308201591 491083843 /nfs/dbraw/zinc/08/38/43/491083843.db2.gz VODFKUXCJXLYJA-UHFFFAOYSA-N 0 0 197.669 2.508 10 30 AFEERN C=CCCCNC(=O)C(CC)CC 308208087 491084413 /nfs/dbraw/zinc/08/44/13/491084413.db2.gz DOYLFEVVYZKMQB-UHFFFAOYSA-N 0 0 183.295 2.505 10 30 AFEERN C=C(C)CCN(CCC)CC(F)F 308219082 491085360 /nfs/dbraw/zinc/08/53/60/491085360.db2.gz KKZWBLPWQDTYLS-UHFFFAOYSA-N 0 0 191.265 2.930 10 30 AFEERN C=CCCC[C@@H](C)Sc1nc[nH]n1 308227943 491086285 /nfs/dbraw/zinc/08/62/85/491086285.db2.gz FOEXPALSINUJKC-MRVPVSSYSA-N 0 0 197.307 2.642 10 30 AFEERN C=CCCC[C@H](C)Sc1nc[nH]n1 308227944 491086286 /nfs/dbraw/zinc/08/62/86/491086286.db2.gz FOEXPALSINUJKC-QMMMGPOBSA-N 0 0 197.307 2.642 10 30 AFEERN C=CCCCCNc1nc(C)ns1 308235828 491086740 /nfs/dbraw/zinc/08/67/40/491086740.db2.gz WADHZJIVXQFRTE-UHFFFAOYSA-N 0 0 197.307 2.615 10 30 AFEERN C=C(C)[C@@H](CO)Sc1ccoc1C 308262903 491089959 /nfs/dbraw/zinc/08/99/59/491089959.db2.gz NOBWAHLSARJRCX-SNVBAGLBSA-N 0 0 198.287 2.617 10 30 AFEERN C=C(C)[C@H](CO)Sc1ccoc1C 308262902 491089996 /nfs/dbraw/zinc/08/99/96/491089996.db2.gz NOBWAHLSARJRCX-JTQLQIEISA-N 0 0 198.287 2.617 10 30 AFEERN C=CCCC[C@H](C)N(C)CC(F)F 308267951 491090388 /nfs/dbraw/zinc/09/03/88/491090388.db2.gz QSLNLICZYNDRPZ-VIFPVBQESA-N 0 0 191.265 2.928 10 30 AFEERN C=CCCC[C@@H](C)N(C)CC(F)F 308267950 491090418 /nfs/dbraw/zinc/09/04/18/491090418.db2.gz QSLNLICZYNDRPZ-SECBINFHSA-N 0 0 191.265 2.928 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CC 308309810 491095319 /nfs/dbraw/zinc/09/53/19/491095319.db2.gz QPFYSFXKLHCMPZ-NXEZZACHSA-N 0 0 183.295 2.503 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CC 308309811 491095321 /nfs/dbraw/zinc/09/53/21/491095321.db2.gz QPFYSFXKLHCMPZ-UWVGGRQHSA-N 0 0 183.295 2.503 10 30 AFEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)CC 308309812 491095341 /nfs/dbraw/zinc/09/53/41/491095341.db2.gz QPFYSFXKLHCMPZ-VHSXEESVSA-N 0 0 183.295 2.503 10 30 AFEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CC 308309813 491095406 /nfs/dbraw/zinc/09/54/06/491095406.db2.gz QPFYSFXKLHCMPZ-ZJUUUORDSA-N 0 0 183.295 2.503 10 30 AFEERN C=C(C)CCOc1cccc(C)n1 308321252 491096543 /nfs/dbraw/zinc/09/65/43/491096543.db2.gz BGDKGZIRUTUPFG-UHFFFAOYSA-N 0 0 177.247 2.735 10 30 AFEERN C=C(C)CCOc1cccnc1C 308331479 491097670 /nfs/dbraw/zinc/09/76/70/491097670.db2.gz KTOBAOINOBVPBM-UHFFFAOYSA-N 0 0 177.247 2.735 10 30 AFEERN C=C(C)CCOc1ccc(C)nc1 308353397 491098409 /nfs/dbraw/zinc/09/84/09/491098409.db2.gz ZQPFILOJMANYJQ-UHFFFAOYSA-N 0 0 177.247 2.735 10 30 AFEERN C=C(C)CCN(C)Cc1cscn1 308401780 491101529 /nfs/dbraw/zinc/10/15/29/491101529.db2.gz HKZMYNKFHUQXCQ-UHFFFAOYSA-N 0 0 196.319 2.541 10 30 AFEERN C=CCCc1nc([C@@H](C)CC)no1 308413672 491102534 /nfs/dbraw/zinc/10/25/34/491102534.db2.gz MLHQQQAXKHWKNZ-QMMMGPOBSA-N 0 0 180.251 2.702 10 30 AFEERN C=CCCc1nc([C@H](C)CC)no1 308413671 491102540 /nfs/dbraw/zinc/10/25/40/491102540.db2.gz MLHQQQAXKHWKNZ-MRVPVSSYSA-N 0 0 180.251 2.702 10 30 AFEERN C=CCN(CC(F)F)CC1CCC1 308428835 491103618 /nfs/dbraw/zinc/10/36/18/491103618.db2.gz YPXQBGAQPGATMY-UHFFFAOYSA-N 0 0 189.249 2.540 10 30 AFEERN C=CCC/C=C/C(=O)n1cccc1 584609402 491119945 /nfs/dbraw/zinc/11/99/45/491119945.db2.gz LKVJRCKTGOSYSG-VMPITWQZSA-N 0 0 175.231 2.651 10 30 AFEERN CC#CCNc1cccc2ccncc12 308983493 491119198 /nfs/dbraw/zinc/11/91/98/491119198.db2.gz IYJWUXCRTZQZKE-UHFFFAOYSA-N 0 0 196.253 2.670 10 30 AFEERN C=CCSc1nccn1C(C)C 388391911 491119487 /nfs/dbraw/zinc/11/94/87/491119487.db2.gz CRYXPGXLTMAQHH-UHFFFAOYSA-N 0 0 182.292 2.742 10 30 AFEERN CC(C)C[C@H](C)OCCCC#N 19438443 1188766791 /nfs/dbraw/zinc/76/67/91/1188766791.db2.gz XNPYZIZHPNFIOT-JTQLQIEISA-N 0 0 169.268 2.741 10 30 AFEERN CC[C@H]1CCCC[C@@H]1OCCC#N 19504465 1188766849 /nfs/dbraw/zinc/76/68/49/1188766849.db2.gz SVRHERVYJUDZIQ-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN C[C@H]1CCCC[C@@H]1OCCCC#N 19472814 1188767018 /nfs/dbraw/zinc/76/70/18/1188767018.db2.gz BODLIHOHVKFCEF-QWRGUYRKSA-N 0 0 181.279 2.885 10 30 AFEERN CC(C)C[C@@H](C)OCCCC#N 19438441 1188767023 /nfs/dbraw/zinc/76/70/23/1188767023.db2.gz XNPYZIZHPNFIOT-SNVBAGLBSA-N 0 0 169.268 2.741 10 30 AFEERN C[C@@H]1CCCC[C@H]1OCCCC#N 19472816 1188767046 /nfs/dbraw/zinc/76/70/46/1188767046.db2.gz BODLIHOHVKFCEF-GHMZBOCLSA-N 0 0 181.279 2.885 10 30 AFEERN C[C@H]1CCCC[C@H]1OCCCC#N 19472818 1188767073 /nfs/dbraw/zinc/76/70/73/1188767073.db2.gz BODLIHOHVKFCEF-WDEREUQCSA-N 0 0 181.279 2.885 10 30 AFEERN CC[C@@H]1CCCC[C@@H]1OCCC#N 19504464 1188767122 /nfs/dbraw/zinc/76/71/22/1188767122.db2.gz SVRHERVYJUDZIQ-MNOVXSKESA-N 0 0 181.279 2.885 10 30 AFEERN Cc1cc(C#N)cnc1-c1ccccc1 49811351 1188768017 /nfs/dbraw/zinc/76/80/17/1188768017.db2.gz NLAOLTYUDWYVCF-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN Cc1ccc(-c2ccc(C#N)cn2)cc1 49811352 1188768538 /nfs/dbraw/zinc/76/85/38/1188768538.db2.gz YCBBIZWYVCVNOX-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN N#Cc1ccc(-c2cccnc2F)cc1 59099114 1188771047 /nfs/dbraw/zinc/77/10/47/1188771047.db2.gz NFGMNQBDEAZDQO-UHFFFAOYSA-N 0 0 198.200 2.759 10 30 AFEERN CCCCCCCO[C@H](C)C(C)=O 59526150 1188771414 /nfs/dbraw/zinc/77/14/14/1188771414.db2.gz ZYDNNPMIXDHUNJ-LLVKDONJSA-N 0 0 186.295 2.951 10 30 AFEERN N#CCc1cccnc1-c1ccccc1 59470022 1188771803 /nfs/dbraw/zinc/77/18/03/1188771803.db2.gz MHAWUEOASNHJEP-UHFFFAOYSA-N 0 0 194.237 2.815 10 30 AFEERN Cc1ccc(-c2ccccc2C#N)nc1 59071157 1188771960 /nfs/dbraw/zinc/77/19/60/1188771960.db2.gz FXRJRJPWWNQURG-UHFFFAOYSA-N 0 0 194.237 2.929 10 30 AFEERN N#Cc1ccc(-c2cncs2)cc1 59102271 1188772434 /nfs/dbraw/zinc/77/24/34/1188772434.db2.gz NIHOSVFCRAXYHD-UHFFFAOYSA-N 0 0 186.239 2.682 10 30 AFEERN Cc1cc(OC(C)C)cc(C)c1C#N 71456921 1188774438 /nfs/dbraw/zinc/77/44/38/1188774438.db2.gz OXFBXDLNHWWUBB-UHFFFAOYSA-N 0 0 189.258 2.962 10 30 AFEERN Cc1c(C#N)ccc(OC(C)C)c1C 71456672 1188774952 /nfs/dbraw/zinc/77/49/52/1188774952.db2.gz YIVNIEFPXZPFLZ-UHFFFAOYSA-N 0 0 189.258 2.962 10 30 AFEERN COc1cc(C)c(CCC#N)cc1C 75579363 1188775065 /nfs/dbraw/zinc/77/50/65/1188775065.db2.gz JEOMOJNQIZNTLM-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN COc1cccc(CCCCC#N)c1 75579415 1188775118 /nfs/dbraw/zinc/77/51/18/1188775118.db2.gz ACNKSNYKHBOAPJ-UHFFFAOYSA-N 0 0 189.258 2.932 10 30 AFEERN COc1c(C)cc(C)cc1CCC#N 75579361 1188775152 /nfs/dbraw/zinc/77/51/52/1188775152.db2.gz PGZYKOKTYCFVLP-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN COc1cc(C)cc(CCCC#N)c1 75579374 1188775415 /nfs/dbraw/zinc/77/54/15/1188775415.db2.gz WUUDNYJIVDGYAW-UHFFFAOYSA-N 0 0 189.258 2.850 10 30 AFEERN COc1ccc(CCC#N)c(C)c1C 75579359 1188775548 /nfs/dbraw/zinc/77/55/48/1188775548.db2.gz ZPOCDMPFMPUCSN-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN COc1cc(C)c(CCC#N)c(C)c1 75579391 1188775582 /nfs/dbraw/zinc/77/55/82/1188775582.db2.gz CFJMTJVLUNJRGI-UHFFFAOYSA-N 0 0 189.258 2.768 10 30 AFEERN C=C(C)c1cccc(OC)c1 82762070 1188776691 /nfs/dbraw/zinc/77/66/91/1188776691.db2.gz WTPHVMQZKICGOH-UHFFFAOYSA-N 0 0 148.205 2.728 10 30 AFEERN C=C(C)c1ccc(OC)c(F)c1 82762010 1188777089 /nfs/dbraw/zinc/77/70/89/1188777089.db2.gz ADFYLZYAHJTERU-UHFFFAOYSA-N 0 0 166.195 2.867 10 30 AFEERN C=C(C)c1cc(F)ccc1F 82762030 1188777159 /nfs/dbraw/zinc/77/71/59/1188777159.db2.gz LPSAJUVCQYDNMA-UHFFFAOYSA-N 0 0 154.159 2.998 10 30 AFEERN C=C(C)c1ccc2c(c1)OCCCO2 82762004 1188777215 /nfs/dbraw/zinc/77/72/15/1188777215.db2.gz FNQOBGWRYYCGNZ-UHFFFAOYSA-N 0 0 190.242 2.881 10 30 AFEERN C=CCOCSc1ccccc1 196225576 1188782914 /nfs/dbraw/zinc/78/29/14/1188782914.db2.gz WGHAYQHZKYJDCO-UHFFFAOYSA-N 0 0 180.272 2.939 10 30 AFEERN C=Cc1ccc(CCC#N)cc1 200648282 1188784370 /nfs/dbraw/zinc/78/43/70/1188784370.db2.gz YAFUMAOJHQSTNS-UHFFFAOYSA-N 0 0 157.216 2.786 10 30 AFEERN C=CCN(CC=C)C(=O)OCCCC 200647117 1188784408 /nfs/dbraw/zinc/78/44/08/1188784408.db2.gz GLRCBDQNESQYPT-UHFFFAOYSA-N 0 0 197.278 2.597 10 30 AFEERN CCc1ccc(C#N)cc1Cl 203215586 1188785226 /nfs/dbraw/zinc/78/52/26/1188785226.db2.gz FVDMLBFTOMTLNS-UHFFFAOYSA-N 0 0 165.623 2.774 10 30 AFEERN N#CCCc1c(F)ccc(O)c1Cl 214996360 1188785767 /nfs/dbraw/zinc/78/57/67/1188785767.db2.gz ISXBCRTWWQMPDF-UHFFFAOYSA-N 0 0 199.612 2.641 10 30 AFEERN N#CCCc1c(Cl)ccc(O)c1F 214996432 1188785954 /nfs/dbraw/zinc/78/59/54/1188785954.db2.gz CYBGUJBDLMQSCE-UHFFFAOYSA-N 0 0 199.612 2.641 10 30 AFEERN C[Si](C)(C)C#CCOC1CCCC1 215275502 1188786158 /nfs/dbraw/zinc/78/61/58/1188786158.db2.gz BUPOSABOLXTSOD-UHFFFAOYSA-N 0 0 196.366 2.826 10 30 AFEERN CC[C@H](C)Oc1cc(F)cc(C#N)c1 227635176 1188788463 /nfs/dbraw/zinc/78/84/63/1188788463.db2.gz LRVXEXZEWOLPAW-QMMMGPOBSA-N 0 0 193.221 2.875 10 30 AFEERN N#Cc1cc(F)cc(OC2CCC2)c1 227635679 1188789157 /nfs/dbraw/zinc/78/91/57/1188789157.db2.gz AFKPSXKGTVHBDS-UHFFFAOYSA-N 0 0 191.205 2.629 10 30 AFEERN CC(C)[C@@H](C)Oc1cccc(C#N)c1 227636569 1188789404 /nfs/dbraw/zinc/78/94/04/1188789404.db2.gz XKITXOUQIDDZKD-SNVBAGLBSA-N 0 0 189.258 2.982 10 30 AFEERN Cc1cc(C#N)ccc1CC(F)(F)F 238481911 1188793575 /nfs/dbraw/zinc/79/35/75/1188793575.db2.gz KACWARVSQJSVLU-UHFFFAOYSA-N 0 0 199.175 2.972 10 30 AFEERN Cc1ccc(CC(F)(F)F)c(C#N)c1 238464678 1188793619 /nfs/dbraw/zinc/79/36/19/1188793619.db2.gz SVKXDOOWLUHQQZ-UHFFFAOYSA-N 0 0 199.175 2.972 10 30 AFEERN C=CCOC(=O)NC1CCCCCC1 244323954 1188793878 /nfs/dbraw/zinc/79/38/78/1188793878.db2.gz XKAYDAUGXGYQFE-UHFFFAOYSA-N 0 0 197.278 2.621 10 30 AFEERN C=CCOC(=O)N1[C@@H](C)CCC[C@@H]1C 243806350 1188794006 /nfs/dbraw/zinc/79/40/06/1188794006.db2.gz QNVLJYUSQWBFAI-UWVGGRQHSA-N 0 0 197.278 2.572 10 30 AFEERN C=CCOC(=O)N1[C@H](C)CCC[C@H]1C 243806349 1188794072 /nfs/dbraw/zinc/79/40/72/1188794072.db2.gz QNVLJYUSQWBFAI-NXEZZACHSA-N 0 0 197.278 2.572 10 30 AFEERN C=CCOC(=O)N1[C@@H](C)CCC[C@H]1C 243806348 1188794199 /nfs/dbraw/zinc/79/41/99/1188794199.db2.gz QNVLJYUSQWBFAI-AOOOYVTPSA-N 0 0 197.278 2.572 10 30 AFEERN C=CCOC(=O)N1CCCC[C@H]1CC 243174469 1188794490 /nfs/dbraw/zinc/79/44/90/1188794490.db2.gz JUBSLYRTDVLZRB-SNVBAGLBSA-N 0 0 197.278 2.574 10 30 AFEERN C=CCOC(=O)N(C)C1CCCCC1 242908289 1188794522 /nfs/dbraw/zinc/79/45/22/1188794522.db2.gz GRRMBYUZJQNVTC-UHFFFAOYSA-N 0 0 197.278 2.574 10 30 AFEERN C=CCOC(=O)N1CCCC[C@@H]1CC 243174468 1188794560 /nfs/dbraw/zinc/79/45/60/1188794560.db2.gz JUBSLYRTDVLZRB-JTQLQIEISA-N 0 0 197.278 2.574 10 30 AFEERN C=CCOC(=O)N(CCC)CCCC 242897261 1188794623 /nfs/dbraw/zinc/79/46/23/1188794623.db2.gz GPLDLJHMGMKHEX-UHFFFAOYSA-N 0 0 199.294 2.821 10 30 AFEERN Cc1ccc(CCC#N)c(F)c1 306833122 1188802210 /nfs/dbraw/zinc/80/22/10/1188802210.db2.gz NJAQWUDJKRPMKX-UHFFFAOYSA-N 0 0 163.195 2.590 10 30 AFEERN CC[C@@H](C#N)NC1CCC2(CC1)CC2 307288062 1188806510 /nfs/dbraw/zinc/80/65/10/1188806510.db2.gz WJVYTKBWKJAMGC-JTQLQIEISA-N 0 0 192.306 2.601 10 30 AFEERN CC[C@H](C#N)NC1CCC2(CC1)CC2 307288063 1188806999 /nfs/dbraw/zinc/80/69/99/1188806999.db2.gz WJVYTKBWKJAMGC-SNVBAGLBSA-N 0 0 192.306 2.601 10 30 AFEERN N#CCCc1cc(Cl)ccc1O 307315053 1188807529 /nfs/dbraw/zinc/80/75/29/1188807529.db2.gz WUAXDUSDVJNUSP-UHFFFAOYSA-N 0 0 181.622 2.502 10 30 AFEERN CON=C(C)Cc1ccc(C)cc1 308053532 1188810544 /nfs/dbraw/zinc/81/05/44/1188810544.db2.gz JBOUYFVSDFXWSB-UHFFFAOYSA-N 0 0 177.247 2.560 10 30 AFEERN COCC#CCSCC1CCCC1 308429388 1188811890 /nfs/dbraw/zinc/81/18/90/1188811890.db2.gz SQCWUDANFGTLCA-UHFFFAOYSA-N 0 0 198.331 2.560 10 30 AFEERN C=CCC(C)(C)CNc1nncs1 310408482 1188813016 /nfs/dbraw/zinc/81/30/16/1188813016.db2.gz LFRCWYKOBXRGOG-UHFFFAOYSA-N 0 0 197.307 2.552 10 30 AFEERN C=C(C)CNN=C(C)[C@@H]1CC1(C)C 378807397 1188815067 /nfs/dbraw/zinc/81/50/67/1188815067.db2.gz ZBODLKAXSWYBPN-JTQLQIEISA-N 0 0 180.295 2.574 10 30 AFEERN C=C(C)CNN=C(C)[C@H]1CC1(C)C 378807398 1188815188 /nfs/dbraw/zinc/81/51/88/1188815188.db2.gz ZBODLKAXSWYBPN-SNVBAGLBSA-N 0 0 180.295 2.574 10 30 AFEERN C=CCCCNc1cnc(Cl)cn1 396681967 1188822893 /nfs/dbraw/zinc/82/28/93/1188822893.db2.gz XAOQZMLGODMVCO-UHFFFAOYSA-N 0 0 197.669 2.508 10 30 AFEERN C=C(C)Cc1cnc(C)s1 606245224 1188823972 /nfs/dbraw/zinc/82/39/72/1188823972.db2.gz PRCILSZHGGMSTO-UHFFFAOYSA-N 0 0 153.250 2.570 10 30 AFEERN C=C(C)Cc1csc(C)n1 606245175 1188824210 /nfs/dbraw/zinc/82/42/10/1188824210.db2.gz MCLYZIUSTLPGJE-UHFFFAOYSA-N 0 0 153.250 2.570 10 30 AFEERN CCC(C)(C)CC(=O)OC(C)(C)C#N 779227578 1188826030 /nfs/dbraw/zinc/82/60/30/1188826030.db2.gz SHUARNURMXATKW-UHFFFAOYSA-N 0 0 197.278 2.658 10 30 AFEERN CCC/C(C)=C/C(=O)OC(C)(C)C#N 779227564 1188826060 /nfs/dbraw/zinc/82/60/60/1188826060.db2.gz RXHURGOEOMPAKX-VQHVLOKHSA-N 0 0 195.262 2.578 10 30 AFEERN CCC/C(C)=C\C(=O)OC(C)(C)C#N 779227562 1188826089 /nfs/dbraw/zinc/82/60/89/1188826089.db2.gz RXHURGOEOMPAKX-CLFYSBASSA-N 0 0 195.262 2.578 10 30 AFEERN COc1ccc(C#N)cc1CC1CC1 822256619 1188827023 /nfs/dbraw/zinc/82/70/23/1188827023.db2.gz UBZKYSJOFYZISG-UHFFFAOYSA-N 0 0 187.242 2.519 10 30 AFEERN COc1cc(C#N)ccc1CC1CC1 822256695 1188827029 /nfs/dbraw/zinc/82/70/29/1188827029.db2.gz XFFRXQYXNISVMX-UHFFFAOYSA-N 0 0 187.242 2.519 10 30 AFEERN COc1cccc(CC2CC2)c1C#N 822256244 1188827072 /nfs/dbraw/zinc/82/70/72/1188827072.db2.gz HCZMFMGXVUPQSG-UHFFFAOYSA-N 0 0 187.242 2.519 10 30 AFEERN COc1ccc(CC2CC2)c(C#N)c1 822256528 1188827088 /nfs/dbraw/zinc/82/70/88/1188827088.db2.gz RSMIUMZBWFKJLI-UHFFFAOYSA-N 0 0 187.242 2.519 10 30 AFEERN COc1ccc(C(C)C)c(C#N)c1 822256307 1188827099 /nfs/dbraw/zinc/82/70/99/1188827099.db2.gz KFWQESDVAZJFOV-UHFFFAOYSA-N 0 0 175.231 2.690 10 30 AFEERN CC(C)[C@@H](C)ON=C1CCCOCC1 853685577 1188827552 /nfs/dbraw/zinc/82/75/52/1188827552.db2.gz LLOXTOCFMIFLPV-SNVBAGLBSA-N 0 0 199.294 2.604 10 30 AFEERN CC(C)[C@H](C)ON=C1CCCOCC1 853685575 1188827583 /nfs/dbraw/zinc/82/75/83/1188827583.db2.gz LLOXTOCFMIFLPV-JTQLQIEISA-N 0 0 199.294 2.604 10 30 AFEERN C=CCCC(=O)N1CC[C@@H](CC)[C@H]1C 1128176607 1188828482 /nfs/dbraw/zinc/82/84/82/1188828482.db2.gz TWEVCMRLIMBJFB-GHMZBOCLSA-N 0 0 195.306 2.600 10 30 AFEERN C=CCCC(=O)N1CC[C@H](CC)[C@H]1C 1128176608 1188828491 /nfs/dbraw/zinc/82/84/91/1188828491.db2.gz TWEVCMRLIMBJFB-MNOVXSKESA-N 0 0 195.306 2.600 10 30 AFEERN C=C(C)CNc1ncc(F)cc1C 1155654843 1188828973 /nfs/dbraw/zinc/82/89/73/1188828973.db2.gz BPSBINZGDVPYHL-UHFFFAOYSA-N 0 0 180.226 2.517 10 30 AFEERN C=C(C)CNc1ncc(C)cc1F 1155655557 1188829071 /nfs/dbraw/zinc/82/90/71/1188829071.db2.gz KKFOLTMOQVFXJQ-UHFFFAOYSA-N 0 0 180.226 2.517 10 30 AFEERN C=C(C)CNc1nccc(C)c1F 1155654847 1188829366 /nfs/dbraw/zinc/82/93/66/1188829366.db2.gz BVMKGCUEOIDZJL-UHFFFAOYSA-N 0 0 180.226 2.517 10 30 AFEERN CC(C)N(C)c1cc(F)ccc1C#N 1306926838 1188835132 /nfs/dbraw/zinc/83/51/32/1188835132.db2.gz ZFGRUZSUNYULQO-UHFFFAOYSA-N 0 0 192.237 2.542 10 30 AFEERN CC#CCN1CCCCc2ccccc21 1459679106 1188842436 /nfs/dbraw/zinc/84/24/36/1188842436.db2.gz XVLVIEZFHAFYMA-UHFFFAOYSA-N 0 0 199.297 2.853 10 30 AFEERN CC#CCN1CCc2cccc(CC)c21 1473249093 1188843892 /nfs/dbraw/zinc/84/38/92/1188843892.db2.gz PUWOBDIQLBGANZ-UHFFFAOYSA-N 0 0 199.297 2.635 10 30 AFEERN C=C(C)CNc1cc(F)ccc1C#N 1559171404 1188845715 /nfs/dbraw/zinc/84/57/15/1188845715.db2.gz PZDBZGWHPISIHD-UHFFFAOYSA-N 0 0 190.221 2.685 10 30 AFEERN