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/nfs/dbraw/zinc/22/90/01/573229001.db2.gz RHLDODDSEFOFCG-UWVGGRQHSA-N 0 0 183.295 3.225 20 30 AGEDRN C=CCCCON=Cc1cccs1 308329678 573259107 /nfs/dbraw/zinc/25/91/07/573259107.db2.gz JRQXEQBGJRJMRX-UHFFFAOYSA-N 0 0 195.287 3.065 20 30 AGEDRN CCCCCC(C)=NN[C@H](C)CC 308381236 573421876 /nfs/dbraw/zinc/42/18/76/573421876.db2.gz UUNIQVGPVMFMKP-SNVBAGLBSA-N 0 0 184.327 3.331 20 30 AGEDRN C=CCNc1ccc(CCC)cc1 50521832 573442082 /nfs/dbraw/zinc/44/20/82/573442082.db2.gz RARWKCQPKDWZRH-UHFFFAOYSA-N 0 0 175.275 3.237 20 30 AGEDRN C=CCCC(CC)=NN[C@H](C)CC 308408655 573625570 /nfs/dbraw/zinc/62/55/70/573625570.db2.gz KSWHEEKPUQNPLG-SNVBAGLBSA-N 0 0 182.311 3.107 20 30 AGEDRN CC(C)(C#N)CC1CCCC1 83775605 573625727 /nfs/dbraw/zinc/62/57/27/573625727.db2.gz NNDSSHMFRDCZGU-UHFFFAOYSA-N 0 0 151.253 3.116 20 30 AGEDRN C=CCCC(C)=NOCCC1CC1 308413561 573675993 /nfs/dbraw/zinc/67/59/93/573675993.db2.gz PPEXSDPHQXIAIL-UHFFFAOYSA-N 0 0 181.279 3.145 20 30 AGEDRN Cc1cccc(CC[C@H](C)S)c1 86895243 573681966 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C[C@H]1CCC(=NOC2CCC2)C[C@H]1C 812236445 673915175 /nfs/dbraw/zinc/91/51/75/673915175.db2.gz MGWBZWCLHFXYSB-VHSXEESVSA-N 0 0 195.306 3.368 20 30 AGEDRN C[C@H]1CC(=NOC2CCC2)CC[C@H]1C 812236446 673915239 /nfs/dbraw/zinc/91/52/39/673915239.db2.gz MGWBZWCLHFXYSB-ZJUUUORDSA-N 0 0 195.306 3.368 20 30 AGEDRN C=CCNC(=O)CCCCCCCC 105631840 1169141235 /nfs/dbraw/zinc/14/12/35/1169141235.db2.gz CAXZCFQSMKMBNV-UHFFFAOYSA-N 0 0 197.322 3.039 20 30 AGEDRN CC(C)CC=NOC1CCCCC1 308259597 673929472 /nfs/dbraw/zinc/92/94/72/673929472.db2.gz MSQFKUNKVOQFIO-UHFFFAOYSA-N 0 0 183.295 3.368 20 30 AGEDRN C(=NOC1CCCC1)C1CCCC1 308335274 673930407 /nfs/dbraw/zinc/93/04/07/673930407.db2.gz NRIREQCJHOZFPK-UHFFFAOYSA-N 0 0 181.279 3.122 20 30 AGEDRN CCCCCCCn1cc(C)cn1 308479415 673931566 /nfs/dbraw/zinc/93/15/66/673931566.db2.gz MUMKRSIMTYYBQS-UHFFFAOYSA-N 0 0 180.295 3.162 20 30 AGEDRN C=C(C)c1ccccc1[C@@H](O)CC 197301949 673934076 /nfs/dbraw/zinc/93/40/76/673934076.db2.gz SYODNCLJZNWZED-LBPRGKRZSA-N 0 0 176.259 3.163 20 30 AGEDRN C#Cc1cccc(N[C@@H]2CC[C@@H]2CC)c1 309088383 673936607 /nfs/dbraw/zinc/93/66/07/673936607.db2.gz BGOREGBOQOMTPQ-GXTWGEPZSA-N 0 0 199.297 3.268 20 30 AGEDRN C#Cc1cccc(N[C@@H]2CC[C@H]2CC)c1 309088387 673936649 /nfs/dbraw/zinc/93/66/49/673936649.db2.gz BGOREGBOQOMTPQ-TZMCWYRMSA-N 0 0 199.297 3.268 20 30 AGEDRN C#Cc1cccc(N[C@H]2CC[C@H]2CC)c1 309088385 673936747 /nfs/dbraw/zinc/93/67/47/673936747.db2.gz BGOREGBOQOMTPQ-OCCSQVGLSA-N 0 0 199.297 3.268 20 30 AGEDRN C=C(C)CNc1ccccc1SC 219062351 673937791 /nfs/dbraw/zinc/93/77/91/673937791.db2.gz VENCCTNLMUBVOZ-UHFFFAOYSA-N 0 0 193.315 3.397 20 30 AGEDRN CCC(=NOCC(C)C)[C@@H]1C[C@H]1C 841633436 673938621 /nfs/dbraw/zinc/93/86/21/673938621.db2.gz ORKSFGGTADLTOA-NXEZZACHSA-N 0 0 183.295 3.081 20 30 AGEDRN CCC(=NOCC(C)C)[C@H]1C[C@@H]1C 841633454 673938670 /nfs/dbraw/zinc/93/86/70/673938670.db2.gz ORKSFGGTADLTOA-UWVGGRQHSA-N 0 0 183.295 3.081 20 30 AGEDRN CCC(=NOCC(C)C)[C@@H]1C[C@@H]1C 841633459 673938705 /nfs/dbraw/zinc/93/87/05/673938705.db2.gz ORKSFGGTADLTOA-VHSXEESVSA-N 0 0 183.295 3.081 20 30 AGEDRN CCC(=NOCC(C)C)[C@H]1C[C@H]1C 841633510 673938786 /nfs/dbraw/zinc/93/87/86/673938786.db2.gz ORKSFGGTADLTOA-ZJUUUORDSA-N 0 0 183.295 3.081 20 30 AGEDRN C=C(C)c1ccccc1[C@H](O)CC 197301962 673948271 /nfs/dbraw/zinc/94/82/71/673948271.db2.gz SYODNCLJZNWZED-GFCCVEGCSA-N 0 0 176.259 3.163 20 30 AGEDRN C=C(C)CSCCSC(C)C 307896182 673942788 /nfs/dbraw/zinc/94/27/88/673942788.db2.gz IQVWXNKEWQHZMT-UHFFFAOYSA-N 0 0 190.377 3.437 20 30 AGEDRN CC(C)CON=C1CCC2(CC1)CC2 167629641 673943087 /nfs/dbraw/zinc/94/30/87/673943087.db2.gz MIPDLVMMPHXOOU-UHFFFAOYSA-N 0 0 195.306 3.369 20 30 AGEDRN CCCC(CC)=NOC/C=C\Cl 307984323 673943972 /nfs/dbraw/zinc/94/39/72/673943972.db2.gz QLSYGPBAGXZHPR-ISLHGUSQSA-N 0 0 189.686 3.322 20 30 AGEDRN C[C@@H]1CCC[C@H](C=NOCC2CC2)C1 814244547 673954015 /nfs/dbraw/zinc/95/40/15/673954015.db2.gz ZKNIKHAWHMKHHC-PWSUYJOCSA-N 0 0 195.306 3.225 20 30 AGEDRN CC1=CC(=NOCCC2CC2)CCC1 814245136 673954410 /nfs/dbraw/zinc/95/44/10/673954410.db2.gz JSEYRUZBKKYFDF-UHFFFAOYSA-N 0 0 193.290 3.289 20 30 AGEDRN C=C(C)COC(=O)C1CCCCCC1 726215765 673954420 /nfs/dbraw/zinc/95/44/20/673954420.db2.gz SSHQNZWUGHYITO-UHFFFAOYSA-N 0 0 196.290 3.076 20 30 AGEDRN C[C@H]1CCC[C@@H](C=NOCC2CC2)C1 814244545 673954815 /nfs/dbraw/zinc/95/48/15/673954815.db2.gz ZKNIKHAWHMKHHC-CMPLNLGQSA-N 0 0 195.306 3.225 20 30 AGEDRN C[C@@H]1CCC[C@@H](C=NOCC2CC2)C1 814244548 673954852 /nfs/dbraw/zinc/95/48/52/673954852.db2.gz ZKNIKHAWHMKHHC-ZYHUDNBSSA-N 0 0 195.306 3.225 20 30 AGEDRN C[C@H]1CCC[C@H](C=NOCC2CC2)C1 814244546 673954871 /nfs/dbraw/zinc/95/48/71/673954871.db2.gz ZKNIKHAWHMKHHC-JQWIXIFHSA-N 0 0 195.306 3.225 20 30 AGEDRN CC(=NOCCC1CC1)C1CCCC1 814245515 673954887 /nfs/dbraw/zinc/95/48/87/673954887.db2.gz WBRMJWRESUQUOM-UHFFFAOYSA-N 0 0 195.306 3.369 20 30 AGEDRN CC1(C)CCC1=NOC1CCCC1 308314953 673957574 /nfs/dbraw/zinc/95/75/74/673957574.db2.gz UTUMUDZQYSSIIV-UHFFFAOYSA-N 0 0 181.279 3.122 20 30 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RNCMSIRQAMFQSO-UHFFFAOYSA-N 0 0 198.306 3.178 20 30 AGEDRN CC(C)(C)CCNN=C1CCC1(C)C 789038158 674010072 /nfs/dbraw/zinc/01/00/72/674010072.db2.gz UWNMMGMVYJIDKN-UHFFFAOYSA-N 0 0 196.338 3.188 20 30 AGEDRN CCC(CC)CNN=C1CCC1(C)C 789051599 674010112 /nfs/dbraw/zinc/01/01/12/674010112.db2.gz VIDYVPZTIQNMHA-UHFFFAOYSA-N 0 0 196.338 3.188 20 30 AGEDRN CC1(C)CCC1=NNC1CCCCC1 789051715 674010150 /nfs/dbraw/zinc/01/01/50/674010150.db2.gz WIGXBLZSDQAILJ-UHFFFAOYSA-N 0 0 194.322 3.085 20 30 AGEDRN C=CCCOC(=O)[C@@](C)(CC)CCC 796327581 674010470 /nfs/dbraw/zinc/01/04/70/674010470.db2.gz TVOIIYPPUSEDFD-LBPRGKRZSA-N 0 0 198.306 3.322 20 30 AGEDRN C=C(C)COC(=O)[C@@](C)(CC)CCC 796335572 674010578 /nfs/dbraw/zinc/01/05/78/674010578.db2.gz LCMKFRQZCCMADG-LBPRGKRZSA-N 0 0 198.306 3.322 20 30 AGEDRN C=CCCOC(=O)[C@](C)(CC)CCC 796327575 674010607 /nfs/dbraw/zinc/01/06/07/674010607.db2.gz TVOIIYPPUSEDFD-GFCCVEGCSA-N 0 0 198.306 3.322 20 30 AGEDRN C=C(C)COC(=O)[C@](C)(CC)CCC 796335571 674010677 /nfs/dbraw/zinc/01/06/77/674010677.db2.gz LCMKFRQZCCMADG-GFCCVEGCSA-N 0 0 198.306 3.322 20 30 AGEDRN CCCCCCCn1nc(C)cc1C 111223553 674037539 /nfs/dbraw/zinc/03/75/39/674037539.db2.gz WXSRWXMTXJSJKQ-UHFFFAOYSA-N 0 0 194.322 3.470 20 30 AGEDRN CCCCCCCCCn1cncn1 111223895 674037853 /nfs/dbraw/zinc/03/78/53/674037853.db2.gz RCYGLJWIMLIQEM-UHFFFAOYSA-N 0 0 195.310 3.029 20 30 AGEDRN C=C(Cl)COc1cc(C)ccc1C 87555503 674059885 /nfs/dbraw/zinc/05/98/85/674059885.db2.gz AYRROUXVRMGBQP-UHFFFAOYSA-N 0 0 196.677 3.435 20 30 AGEDRN CC[C@H](C)Nc1ccc(C#N)cc1C 37895008 674063460 /nfs/dbraw/zinc/06/34/60/674063460.db2.gz NXSVGARZIGNYIL-JTQLQIEISA-N 0 0 188.274 3.077 20 30 AGEDRN CC[C@@H](C)Nc1ccc(C#N)cc1C 37895007 674063646 /nfs/dbraw/zinc/06/36/46/674063646.db2.gz NXSVGARZIGNYIL-SNVBAGLBSA-N 0 0 188.274 3.077 20 30 AGEDRN C=C(Cl)COc1cccc(C)c1C 217837345 1169338711 /nfs/dbraw/zinc/33/87/11/1169338711.db2.gz FOZVSHGQTUETMO-UHFFFAOYSA-N 0 0 196.677 3.435 20 30 AGEDRN C=C(C)CSC/C(C)=C/Cl 306966327 1169495544 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