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167070523 /nfs/dbraw/zinc/07/05/23/167070523.db2.gz SPONZDPEFSLFAM-JTQLQIEISA-N 0 0 193.290 2.779 20 0 AFADRN CCC[C@H](C)Nc1cc(C)nc(C)n1 37498721 167070700 /nfs/dbraw/zinc/07/07/00/167070700.db2.gz GMUCHMMRDKHUCG-QMMMGPOBSA-N 0 0 193.294 2.694 20 0 AFADRN CCC[C@H](C)Nc1ccc(Cl)nn1 21809666 167070783 /nfs/dbraw/zinc/07/07/83/167070783.db2.gz HYHIGDLQUJNCBE-ZETCQYMHSA-N 0 0 199.685 2.731 20 0 AFADRN CCC[C@H](C)Nc1ccc(F)cn1 41045303 167070976 /nfs/dbraw/zinc/07/09/76/167070976.db2.gz WWDGTDKECBCMIU-QMMMGPOBSA-N 0 0 182.242 2.821 20 0 AFADRN CCC[C@H](C)Nc1cccc(F)n1 40711881 167071072 /nfs/dbraw/zinc/07/10/72/167071072.db2.gz KEPQRQISPBLYAL-QMMMGPOBSA-N 0 0 182.242 2.821 20 0 AFADRN CCC[C@H](C)NC(=O)[C@H](C)CCC 5591384 167071649 /nfs/dbraw/zinc/07/16/49/167071649.db2.gz VRSVHPREEOBHEX-ZJUUUORDSA-N 0 0 185.311 2.727 20 0 AFADRN CCC[C@H](C)Nc1ccc(C)nc1 96033351 167071814 /nfs/dbraw/zinc/07/18/14/167071814.db2.gz GUUCNXXLFLPGAP-JTQLQIEISA-N 0 0 178.279 2.991 20 0 AFADRN CCC[C@H](C)Nc1cncc(Cl)n1 42291452 167072446 /nfs/dbraw/zinc/07/24/46/167072446.db2.gz YLLCQWACZQDIDC-ZETCQYMHSA-N 0 0 199.685 2.731 20 0 AFADRN CCC[C@H](C)Nc1nc(C)cc(C)n1 35206308 167073766 /nfs/dbraw/zinc/07/37/66/167073766.db2.gz LGPQSZBVJZDLOY-QMMMGPOBSA-N 0 0 193.294 2.694 20 0 AFADRN CCC[C@H](C)Nc1cnccc1C 70957312 167073968 /nfs/dbraw/zinc/07/39/68/167073968.db2.gz IYBVJXIDSKKYCZ-JTQLQIEISA-N 0 0 178.279 2.991 20 0 AFADRN CCC[C@H](C)Nc1cnn(CC)c1 35780223 167074457 /nfs/dbraw/zinc/07/44/57/167074457.db2.gz ZWKZCAFNKSEZAB-VIFPVBQESA-N 0 0 181.283 2.504 20 0 AFADRN CCC[C@H](C)Nc1nccnc1Cl 43537570 167074782 /nfs/dbraw/zinc/07/47/82/167074782.db2.gz ZKJOYHXXFGNSPJ-ZETCQYMHSA-N 0 0 199.685 2.731 20 0 AFADRN CCC[C@H](C)Nc1nccs1 20553108 167074850 /nfs/dbraw/zinc/07/48/50/167074850.db2.gz ICYFKLMNOBCBLK-ZETCQYMHSA-N 0 0 170.281 2.744 20 0 AFADRN CCC[C@H](CC)Nc1cc(C)ncn1 50405650 167075261 /nfs/dbraw/zinc/07/52/61/167075261.db2.gz RQUXHJNQKJUFHD-JTQLQIEISA-N 0 0 193.294 2.776 20 0 AFADRN CCC[C@H](CC)Nc1ccc(C)nn1 50405674 167075406 /nfs/dbraw/zinc/07/54/06/167075406.db2.gz JTESHVLZDBWNTK-JTQLQIEISA-N 0 0 193.294 2.776 20 0 AFADRN CCC[C@H](O)Cc1ccccc1F 37465522 167085489 /nfs/dbraw/zinc/08/54/89/167085489.db2.gz LYDQLGIDWBPCMB-JTQLQIEISA-N 0 0 182.238 2.529 20 0 AFADRN CCC[C@H]1CCCN(C(=O)C(C)C)C1 335679132 167087093 /nfs/dbraw/zinc/08/70/93/167087093.db2.gz GJFWQPCYIYIASI-NSHDSACASA-N 0 0 197.322 2.681 20 0 AFADRN CCC[C@H]1CCCCN1C(=O)C(C)C 202375224 167087355 /nfs/dbraw/zinc/08/73/55/167087355.db2.gz HBIFUAOTFIBCKN-NSHDSACASA-N 0 0 197.322 2.824 20 0 AFADRN CCC[C@H]1CCCCC[C@@H]1O 43658940 167087674 /nfs/dbraw/zinc/08/76/74/167087674.db2.gz KMPSSDSUAVOCMD-UWVGGRQHSA-N 0 0 156.269 2.728 20 0 AFADRN CCC[C@H]1CCCCN1C(=O)CC 200511035 167087839 /nfs/dbraw/zinc/08/78/39/167087839.db2.gz ZICGPECEICHFKK-JTQLQIEISA-N 0 0 183.295 2.578 20 0 AFADRN CCC[C@H]1CCC[C@H]1C(N)=O 336232076 167087983 /nfs/dbraw/zinc/08/79/83/167087983.db2.gz IMNSRKCRNOLRFC-JGVFFNPUSA-N 0 0 155.241 2.738 20 0 AFADRN CCC[C@H]1CCCCN1C(=O)C1CC1 213617993 167088042 /nfs/dbraw/zinc/08/80/42/167088042.db2.gz QUKAIYSOENGIRW-NSHDSACASA-N 0 0 195.306 2.578 20 0 AFADRN CCC[C@H]1CCC[C@@H]1C(N)=O 336232078 167088387 /nfs/dbraw/zinc/08/83/87/167088387.db2.gz IMNSRKCRNOLRFC-YUMQZZPRSA-N 0 0 155.241 2.738 20 0 AFADRN CCC[C@H]1CCCCC[C@H]1O 43658942 167088633 /nfs/dbraw/zinc/08/86/33/167088633.db2.gz KMPSSDSUAVOCMD-VHSXEESVSA-N 0 0 156.269 2.728 20 0 AFADRN CCC[C@H]1[C@@H](C)CCCN1C(=O)CC 336447117 167091608 /nfs/dbraw/zinc/09/16/08/167091608.db2.gz DDOBBGMETPCACB-QWRGUYRKSA-N 0 0 197.322 2.824 20 0 AFADRN CCC[C@H]1[C@H](C)CCCN1C(=O)CC 336447116 167091687 /nfs/dbraw/zinc/09/16/87/167091687.db2.gz DDOBBGMETPCACB-MNOVXSKESA-N 0 0 197.322 2.824 20 0 AFADRN CCC[C@]1(C)CCCN(C(=O)CC)C1 336488977 167096756 /nfs/dbraw/zinc/09/67/56/167096756.db2.gz QLBIFCJGDDRVPQ-GFCCVEGCSA-N 0 0 197.322 2.825 20 0 AFADRN CCCc1cc(O)c(OC)cc1CC 98180138 167098919 /nfs/dbraw/zinc/09/89/19/167098919.db2.gz BNRVLWNDJFHKDU-UHFFFAOYSA-N 0 0 194.274 2.916 20 0 AFADRN CCCc1cc(N[C@H](C)CC)ncn1 40765524 167098939 /nfs/dbraw/zinc/09/89/39/167098939.db2.gz HOONJNDMSYIHDF-SECBINFHSA-N 0 0 193.294 2.640 20 0 AFADRN CCCc1c(OC)cccc1OC 32162435 167100702 /nfs/dbraw/zinc/10/07/02/167100702.db2.gz FWIVQKGKHLKKCW-UHFFFAOYSA-N 0 0 180.247 2.656 20 0 AFADRN CCCc1cc(N[C@@H](C)CC)ncn1 40765523 167100753 /nfs/dbraw/zinc/10/07/53/167100753.db2.gz HOONJNDMSYIHDF-VIFPVBQESA-N 0 0 193.294 2.640 20 0 AFADRN CCCc1cc(CC)c(O)c(OC)c1 98180139 167100981 /nfs/dbraw/zinc/10/09/81/167100981.db2.gz NRFRDLSRXCMTOW-UHFFFAOYSA-N 0 0 194.274 2.916 20 0 AFADRN CCCc1cc(Cl)nc(CC)n1 37409159 167101043 /nfs/dbraw/zinc/10/10/43/167101043.db2.gz NPLHUASAOQJYCZ-UHFFFAOYSA-N 0 0 184.670 2.645 20 0 AFADRN CCCc1cc(Cl)c(F)cn1 98177914 167101782 /nfs/dbraw/zinc/10/17/82/167101782.db2.gz SLYDDHFWVPCDAC-UHFFFAOYSA-N 0 0 173.618 2.827 20 0 AFADRN CCCc1ccc(C)cc1O 2010956 167102161 /nfs/dbraw/zinc/10/21/61/167102161.db2.gz NGSJNQJPYFYNJV-UHFFFAOYSA-N 0 0 150.221 2.653 20 0 AFADRN CCCc1ccc(OC(C)=O)cc1 14680508 167102322 /nfs/dbraw/zinc/10/23/22/167102322.db2.gz NAFYQPWOHMIWTQ-UHFFFAOYSA-N 0 0 178.231 2.564 20 0 AFADRN CCCc1ccc(NC)cc1 37249679 167104097 /nfs/dbraw/zinc/10/40/97/167104097.db2.gz VMTBWKAXOCOPIK-UHFFFAOYSA-N 0 0 149.237 2.681 20 0 AFADRN CCCc1csc(CC)n1 13437571 167105431 /nfs/dbraw/zinc/10/54/31/167105431.db2.gz DDNSNWZYKNNLRJ-UHFFFAOYSA-N 0 0 155.266 2.658 20 0 endogenous,in-man AFADRN CCCc1ccccc1OC 2579397 167105993 /nfs/dbraw/zinc/10/59/93/167105993.db2.gz RQUBLQRVLBWBLZ-UHFFFAOYSA-N 0 0 150.221 2.648 20 0 AFADRN CCCc1ccccc1NC 39414474 167107106 /nfs/dbraw/zinc/10/71/06/167107106.db2.gz UVTCDVLNRNJFCF-UHFFFAOYSA-N 0 0 149.237 2.681 20 0 AFADRN CCCc1csc(NC(C)C)n1 61714503 167107145 /nfs/dbraw/zinc/10/71/45/167107145.db2.gz JCXWWYKXGISMSA-UHFFFAOYSA-N 0 0 184.308 2.916 20 0 AFADRN CCCc1ccccc1NCCOC 49556438 167107537 /nfs/dbraw/zinc/10/75/37/167107537.db2.gz GJPBPXZEZWEMFN-UHFFFAOYSA-N 0 0 193.290 2.697 20 0 AFADRN CCCc1csc(NCC)n1 61714386 167108173 /nfs/dbraw/zinc/10/81/73/167108173.db2.gz QPUBDUUAZBSQPZ-UHFFFAOYSA-N 0 0 170.281 2.527 20 0 AFADRN CCCc1nc(C2CCCC2)no1 307169735 167109230 /nfs/dbraw/zinc/10/92/30/167109230.db2.gz YYVICRMBFQDWFM-UHFFFAOYSA-N 0 0 180.251 2.680 20 0 AFADRN CCCc1nc(-c2ccsc2)no1 307578933 167110068 /nfs/dbraw/zinc/11/00/68/167110068.db2.gz ONANQDUTDQWPDI-UHFFFAOYSA-N 0 0 194.259 2.751 20 0 AFADRN CCCc1nc(C)c(C)s1 32153276 167110106 /nfs/dbraw/zinc/11/01/06/167110106.db2.gz VCGGTZJUUXVOOJ-UHFFFAOYSA-N 0 0 155.266 2.712 20 0 endogenous,in-man AFADRN CCCc1nc(-c2ccoc2C)no1 335674576 167110780 /nfs/dbraw/zinc/11/07/80/167110780.db2.gz JNCKXPCZLZDPRJ-UHFFFAOYSA-N 0 0 192.218 2.591 20 0 AFADRN CCCc1nc(CC)cs1 13437574 167111521 /nfs/dbraw/zinc/11/15/21/167111521.db2.gz PMIYYESQWZHQKJ-UHFFFAOYSA-N 0 0 155.266 2.658 20 0 endogenous,in-man AFADRN CCCc1nc([C@@H]2CCCS2)no1 306395549 167112180 /nfs/dbraw/zinc/11/21/80/167112180.db2.gz GRFRZFADCOATJH-ZETCQYMHSA-N 0 0 198.291 2.590 20 0 AFADRN CCCc1nc([C@H]2CCOC2)cs1 306355886 167112903 /nfs/dbraw/zinc/11/29/03/167112903.db2.gz SJIRPBPKZTVEOX-QMMMGPOBSA-N 0 0 197.303 2.600 20 0 AFADRN CCCc1nc([C@@H]2CCOC2)cs1 306355885 167113252 /nfs/dbraw/zinc/11/32/52/167113252.db2.gz SJIRPBPKZTVEOX-MRVPVSSYSA-N 0 0 197.303 2.600 20 0 AFADRN CCCc1nc([C@H]2CCCS2)no1 306395548 167113498 /nfs/dbraw/zinc/11/34/98/167113498.db2.gz GRFRZFADCOATJH-SSDOTTSWSA-N 0 0 198.291 2.590 20 0 AFADRN CCCc1noc(C(F)=C(C)C)n1 306780070 167114395 /nfs/dbraw/zinc/11/43/95/167114395.db2.gz DKUWMGGFIMOPIA-UHFFFAOYSA-N 0 0 184.214 2.743 20 0 AFADRN CCCn1ccc(C(C)(C)C)cc1=O 334429116 167121234 /nfs/dbraw/zinc/12/12/34/167121234.db2.gz TXNDZXLHZQVBHP-UHFFFAOYSA-N 0 0 193.290 2.556 20 0 AFADRN CCCn1nc(C(F)(F)F)cc1C 307758051 167121816 /nfs/dbraw/zinc/12/18/16/167121816.db2.gz NIRROQZWILZEAS-UHFFFAOYSA-N 0 0 192.184 2.620 20 0 AFADRN CCN(C(=O)C1CCCCC1)C(C)C 335746897 167123219 /nfs/dbraw/zinc/12/32/19/167123219.db2.gz AXHLVKAPZVYANE-UHFFFAOYSA-N 0 0 197.322 2.824 20 0 AFADRN CCN(C(=O)C1=CCCCC1)C(C)C 334412506 167123721 /nfs/dbraw/zinc/12/37/21/167123721.db2.gz LXEXVWDBNZDGES-UHFFFAOYSA-N 0 0 195.306 2.744 20 0 AFADRN CCN(C(=O)C1CC(C)(C)C1)C(C)C 334441795 167124643 /nfs/dbraw/zinc/12/46/43/167124643.db2.gz BYPGLJNEQVZGSY-UHFFFAOYSA-N 0 0 197.322 2.680 20 0 AFADRN CCN(C(=O)C1CCCC1)C1CCC1 334857021 167125529 /nfs/dbraw/zinc/12/55/29/167125529.db2.gz HVYDXCXTASUQAG-UHFFFAOYSA-N 0 0 195.306 2.578 20 0 AFADRN CCN(C(=O)C1=C(C)CCC1)C(C)C 335700787 167125851 /nfs/dbraw/zinc/12/58/51/167125851.db2.gz REKJFSJXAVHDAH-UHFFFAOYSA-N 0 0 195.306 2.744 20 0 AFADRN CCN(C(=O)[C@@H]1CC=CCC1)C(C)C 334437987 167126509 /nfs/dbraw/zinc/12/65/09/167126509.db2.gz IYUWJARODREUEW-LLVKDONJSA-N 0 0 195.306 2.600 20 0 AFADRN CCN(C(=O)[C@H]1CC[C@@H](C)C1)C(C)C 334708309 167126557 /nfs/dbraw/zinc/12/65/57/167126557.db2.gz BCABWGFZTFHXHL-MNOVXSKESA-N 0 0 197.322 2.680 20 0 AFADRN CCN(C(=O)c1ccsc1)C(C)C 334736586 167126744 /nfs/dbraw/zinc/12/67/44/167126744.db2.gz MTBXEYOVGXZGPM-UHFFFAOYSA-N 0 0 197.303 2.619 20 0 AFADRN CCN(C(=O)[C@@H]1CC[C@@H](C)C1)C(C)C 334708306 167127263 /nfs/dbraw/zinc/12/72/63/167127263.db2.gz BCABWGFZTFHXHL-GHMZBOCLSA-N 0 0 197.322 2.680 20 0 AFADRN CCN(C(=O)[C@@H]1CC[C@H](C)C1)C(C)C 334708317 167128543 /nfs/dbraw/zinc/12/85/43/167128543.db2.gz BCABWGFZTFHXHL-WDEREUQCSA-N 0 0 197.322 2.680 20 0 AFADRN CCN(C(=O)[C@H]1CC[C@H](C)C1)C(C)C 334708313 167128675 /nfs/dbraw/zinc/12/86/75/167128675.db2.gz BCABWGFZTFHXHL-QWRGUYRKSA-N 0 0 197.322 2.680 20 0 AFADRN CCN(C(=O)[C@H]1CC=CCC1)C(C)C 334437989 167128733 /nfs/dbraw/zinc/12/87/33/167128733.db2.gz IYUWJARODREUEW-NSHDSACASA-N 0 0 195.306 2.600 20 0 AFADRN CCN(C)C(=O)C1C[C@@H](C)C[C@H](C)C1 334403412 167129282 /nfs/dbraw/zinc/12/92/82/167129282.db2.gz OWTFTUKTFJEWTI-UWVGGRQHSA-N 0 0 197.322 2.537 20 0 AFADRN CCN(C(C)=O)c1cccc(C)c1C 334273277 167129533 /nfs/dbraw/zinc/12/95/33/167129533.db2.gz KGGGJRXCKBPKRZ-UHFFFAOYSA-N 0 0 191.274 2.676 20 0 AFADRN CCN(C(C)=O)c1cc(C)ccc1C 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AMFIFCONCRPCJM-ZJUUUORDSA-N 0 0 197.322 2.585 20 0 AFADRN CCC[C@H](C)C(=O)NC[C@@H]1CC1(C)C 602331964 346930544 /nfs/dbraw/zinc/93/05/44/346930544.db2.gz AMFIFCONCRPCJM-UWVGGRQHSA-N 0 0 197.322 2.585 20 0 AFADRN CCC(CC)NC(=O)c1occc1C 602530996 346935209 /nfs/dbraw/zinc/93/52/09/346935209.db2.gz OOTBQICVTJAFQJ-UHFFFAOYSA-N 0 0 195.262 2.506 20 0 AFADRN CCC[C@H](C)NC(=O)c1occc1C 602589818 346936298 /nfs/dbraw/zinc/93/62/98/346936298.db2.gz PPSTZJZROLOKEW-VIFPVBQESA-N 0 0 195.262 2.506 20 0 AFADRN CCC[C@@H](C)NC(=O)c1occc1C 602589817 346936478 /nfs/dbraw/zinc/93/64/78/346936478.db2.gz PPSTZJZROLOKEW-SECBINFHSA-N 0 0 195.262 2.506 20 0 AFADRN CC1(C)CCCN(c2ccccn2)C1 602859582 346946519 /nfs/dbraw/zinc/94/65/19/346946519.db2.gz AOCFOJLREZXXIF-UHFFFAOYSA-N 0 0 190.290 2.708 20 0 AFADRN CCN(CC1CC1)C(=O)[C@H](C)C(C)C 603100366 346951058 /nfs/dbraw/zinc/95/10/58/346951058.db2.gz GSGGTKUDVFODSH-SNVBAGLBSA-N 0 0 197.322 2.537 20 0 AFADRN CC(C)[C@H](C)C(=O)NCC1CCCC1 603054400 346950188 /nfs/dbraw/zinc/95/01/88/346950188.db2.gz WZFMUBRQMMMQDV-JTQLQIEISA-N 0 0 197.322 2.585 20 0 AFADRN CCC[C@H](CC)NC(=O)[C@@H](C)C(C)C 603076141 346950210 /nfs/dbraw/zinc/95/02/10/346950210.db2.gz ISBVIVJNUIPQDA-QWRGUYRKSA-N 0 0 199.338 2.973 20 0 AFADRN CC(C)[C@@H](C)C(=O)NCCC(C)(C)C 603053684 346950217 /nfs/dbraw/zinc/95/02/17/346950217.db2.gz HRSFVFWKSGJJKE-SNVBAGLBSA-N 0 0 199.338 2.831 20 0 AFADRN CC(C)CCN(C)C(=O)[C@@H](C)C(C)C 603055228 346950236 /nfs/dbraw/zinc/95/02/36/346950236.db2.gz CLJNWOKMGYUMNA-NSHDSACASA-N 0 0 199.338 2.783 20 0 AFADRN CCC[C@@H](C)N(C)C(=O)[C@H](C)C(C)C 603060965 346950255 /nfs/dbraw/zinc/95/02/55/346950255.db2.gz DPXAJMNCWWMQTH-GHMZBOCLSA-N 0 0 199.338 2.926 20 0 AFADRN CC(C)[C@@H](C)C(=O)N(C(C)C)C1CC1 603044122 346950258 /nfs/dbraw/zinc/95/02/58/346950258.db2.gz GHMWKDCDOPGYQB-SNVBAGLBSA-N 0 0 197.322 2.678 20 0 AFADRN CCC[C@H](C)N(C)C(=O)[C@H](C)C(C)C 603060968 346950261 /nfs/dbraw/zinc/95/02/61/346950261.db2.gz DPXAJMNCWWMQTH-WDEREUQCSA-N 0 0 199.338 2.926 20 0 AFADRN CCC[C@@H](CC)NC(=O)[C@@H](C)C(C)C 603076142 346950276 /nfs/dbraw/zinc/95/02/76/346950276.db2.gz ISBVIVJNUIPQDA-WDEREUQCSA-N 0 0 199.338 2.973 20 0 AFADRN CC(C)[C@@H](C)C(=O)N(C)CC(C)(C)C 603085567 346950291 /nfs/dbraw/zinc/95/02/91/346950291.db2.gz UQBOXZYXGVXSLI-SNVBAGLBSA-N 0 0 199.338 2.783 20 0 AFADRN CC(C)[C@@H](C)C(=O)N(C)[C@@H](C)C1CC1 603053962 346950298 /nfs/dbraw/zinc/95/02/98/346950298.db2.gz ZDWAPYXUJYCVFQ-ZJUUUORDSA-N 0 0 197.322 2.535 20 0 AFADRN CCCCN(CC)C(=O)[C@@H](C)C(C)C 603040727 346950304 /nfs/dbraw/zinc/95/03/04/346950304.db2.gz SDMOGVONUZZVGA-NSHDSACASA-N 0 0 199.338 2.927 20 0 AFADRN CCCCN(CC)C(=O)[C@H](C)C(C)C 603040725 346950325 /nfs/dbraw/zinc/95/03/25/346950325.db2.gz SDMOGVONUZZVGA-LLVKDONJSA-N 0 0 199.338 2.927 20 0 AFADRN CC[C@H](C)[C@@H](C)NC(=O)[C@@H](C)C(C)C 603071458 346950339 /nfs/dbraw/zinc/95/03/39/346950339.db2.gz SLAGELVEOBXMTG-GARJFASQSA-N 0 0 199.338 2.829 20 0 AFADRN CCCC(C)(C)NC(=O)[C@@H](C)C(C)C 603079947 346950344 /nfs/dbraw/zinc/95/03/44/346950344.db2.gz FBIZSXHOTLOEOT-JTQLQIEISA-N 0 0 199.338 2.973 20 0 AFADRN CCN(CC(C)C)C(=O)[C@H](C)C(C)C 603055223 346950355 /nfs/dbraw/zinc/95/03/55/346950355.db2.gz AYATYEMSKSPPSE-LLVKDONJSA-N 0 0 199.338 2.783 20 0 AFADRN CCN(CC(C)C)C(=O)[C@@H](C)C(C)C 603055224 346950358 /nfs/dbraw/zinc/95/03/58/346950358.db2.gz AYATYEMSKSPPSE-NSHDSACASA-N 0 0 199.338 2.783 20 0 AFADRN CC(C)[C@@H](C)C(=O)N(C)[C@H](C)C1CC1 603053955 346950360 /nfs/dbraw/zinc/95/03/60/346950360.db2.gz ZDWAPYXUJYCVFQ-NXEZZACHSA-N 0 0 197.322 2.535 20 0 AFADRN CCCN(CCC)C(=O)[C@H](C)C(C)C 603047194 346950367 /nfs/dbraw/zinc/95/03/67/346950367.db2.gz AUFLHRXAFQXKBO-LLVKDONJSA-N 0 0 199.338 2.927 20 0 AFADRN CC[C@H](C)[C@@H](C)NC(=O)[C@H](C)C(C)C 603071601 346950372 /nfs/dbraw/zinc/95/03/72/346950372.db2.gz SLAGELVEOBXMTG-HBNTYKKESA-N 0 0 199.338 2.829 20 0 AFADRN CC[C@H](C)[C@H](C)NC(=O)[C@H](C)C(C)C 603071456 346950380 /nfs/dbraw/zinc/95/03/80/346950380.db2.gz SLAGELVEOBXMTG-AXFHLTTASA-N 0 0 199.338 2.829 20 0 AFADRN CCCC(C)(C)NC(=O)[C@H](C)C(C)C 603079948 346950419 /nfs/dbraw/zinc/95/04/19/346950419.db2.gz FBIZSXHOTLOEOT-SNVBAGLBSA-N 0 0 199.338 2.973 20 0 AFADRN CCC[C@H](CC)NC(=O)[C@H](C)C(C)C 603076140 346950437 /nfs/dbraw/zinc/95/04/37/346950437.db2.gz ISBVIVJNUIPQDA-MNOVXSKESA-N 0 0 199.338 2.973 20 0 AFADRN CC[C@H](C)[C@H](C)NC(=O)[C@@H](C)C(C)C 603071457 346950442 /nfs/dbraw/zinc/95/04/42/346950442.db2.gz SLAGELVEOBXMTG-DCAQKATOSA-N 0 0 199.338 2.829 20 0 AFADRN CCC[C@@H](C)N(C)C(=O)[C@@H](C)C(C)C 603060966 346950446 /nfs/dbraw/zinc/95/04/46/346950446.db2.gz DPXAJMNCWWMQTH-MNOVXSKESA-N 0 0 199.338 2.926 20 0 AFADRN CCCN(CCC)C(=O)[C@@H](C)C(C)C 603047197 346950454 /nfs/dbraw/zinc/95/04/54/346950454.db2.gz AUFLHRXAFQXKBO-NSHDSACASA-N 0 0 199.338 2.927 20 0 AFADRN CC(C)CCN(C)C(=O)[C@H](C)C(C)C 603055227 346950458 /nfs/dbraw/zinc/95/04/58/346950458.db2.gz CLJNWOKMGYUMNA-LLVKDONJSA-N 0 0 199.338 2.783 20 0 AFADRN CCC[C@@H](CC)NC(=O)[C@H](C)C(C)C 603076139 346950507 /nfs/dbraw/zinc/95/05/07/346950507.db2.gz ISBVIVJNUIPQDA-GHMZBOCLSA-N 0 0 199.338 2.973 20 0 AFADRN CC(C)[C@H](C)C(=O)N(C)[C@@H](C)C1CC1 603053960 346950512 /nfs/dbraw/zinc/95/05/12/346950512.db2.gz ZDWAPYXUJYCVFQ-UWVGGRQHSA-N 0 0 197.322 2.535 20 0 AFADRN CC(C)[C@H](C)C(=O)N(C(C)C)C1CC1 603044118 346950522 /nfs/dbraw/zinc/95/05/22/346950522.db2.gz GHMWKDCDOPGYQB-JTQLQIEISA-N 0 0 197.322 2.678 20 0 AFADRN CC(C)CCCNC(=O)[C@@H](C)C(C)C 603054843 346950581 /nfs/dbraw/zinc/95/05/81/346950581.db2.gz FQFRGRAVAPWQID-NSHDSACASA-N 0 0 199.338 2.831 20 0 AFADRN CCC[C@H](C)N(C)C(=O)[C@@H](C)C(C)C 603060967 346950535 /nfs/dbraw/zinc/95/05/35/346950535.db2.gz DPXAJMNCWWMQTH-QWRGUYRKSA-N 0 0 199.338 2.926 20 0 AFADRN CC(C)[C@H](C)C(=O)N(C)CC(C)(C)C 603085566 346950540 /nfs/dbraw/zinc/95/05/40/346950540.db2.gz UQBOXZYXGVXSLI-JTQLQIEISA-N 0 0 199.338 2.783 20 0 AFADRN CC(C)[C@H](C)C(=O)N(C)[C@H](C)C1CC1 603053961 346950545 /nfs/dbraw/zinc/95/05/45/346950545.db2.gz ZDWAPYXUJYCVFQ-VHSXEESVSA-N 0 0 197.322 2.535 20 0 AFADRN CC(C)[C@H](C)C(=O)NCCC(C)(C)C 603053683 346950549 /nfs/dbraw/zinc/95/05/49/346950549.db2.gz HRSFVFWKSGJJKE-JTQLQIEISA-N 0 0 199.338 2.831 20 0 AFADRN CC(C)CCCNC(=O)[C@H](C)C(C)C 603054842 346950551 /nfs/dbraw/zinc/95/05/51/346950551.db2.gz FQFRGRAVAPWQID-LLVKDONJSA-N 0 0 199.338 2.831 20 0 AFADRN CC(C)[C@@H](C)C(=O)NCC1CCCC1 603054403 346950564 /nfs/dbraw/zinc/95/05/64/346950564.db2.gz WZFMUBRQMMMQDV-SNVBAGLBSA-N 0 0 197.322 2.585 20 0 AFADRN CC(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C 603102336 346950782 /nfs/dbraw/zinc/95/07/82/346950782.db2.gz CVQUTHVTNUDUQG-OUAUKWLOSA-N 0 0 197.322 2.583 20 0 AFADRN CC(C)[C@H](C)C(=O)N[C@H]1CCC[C@H]1C 603102338 346950829 /nfs/dbraw/zinc/95/08/29/346950829.db2.gz CVQUTHVTNUDUQG-VWYCJHECSA-N 0 0 197.322 2.583 20 0 AFADRN CC(C)[C@@H](C)C(=O)NC(C)(C)C(C)C 603087179 346950855 /nfs/dbraw/zinc/95/08/55/346950855.db2.gz RWWNXOFBFBNCAA-SNVBAGLBSA-N 0 0 199.338 2.829 20 0 AFADRN CCN(CC1CC1)C(=O)[C@@H](C)C(C)C 603100365 346950859 /nfs/dbraw/zinc/95/08/59/346950859.db2.gz GSGGTKUDVFODSH-JTQLQIEISA-N 0 0 197.322 2.537 20 0 AFADRN CCCN(C(=O)[C@H](C)C(C)C)C1CC1 603091442 346950884 /nfs/dbraw/zinc/95/08/84/346950884.db2.gz JAMFVBXDUUNDNH-SNVBAGLBSA-N 0 0 197.322 2.680 20 0 AFADRN CCCN(C(=O)[C@@H](C)C(C)C)C1CC1 603091441 346950949 /nfs/dbraw/zinc/95/09/49/346950949.db2.gz JAMFVBXDUUNDNH-JTQLQIEISA-N 0 0 197.322 2.680 20 0 AFADRN CC(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C 603102334 346950977 /nfs/dbraw/zinc/95/09/77/346950977.db2.gz CVQUTHVTNUDUQG-GARJFASQSA-N 0 0 197.322 2.583 20 0 AFADRN CC(C)[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C 603102332 346950980 /nfs/dbraw/zinc/95/09/80/346950980.db2.gz CVQUTHVTNUDUQG-DCAQKATOSA-N 0 0 197.322 2.583 20 0 AFADRN CC[C@@H](C)CN(C)C(=O)[C@H](C)C(C)C 603100141 346951011 /nfs/dbraw/zinc/95/10/11/346951011.db2.gz NZBVMJWUQOYIGE-GHMZBOCLSA-N 0 0 199.338 2.783 20 0 AFADRN CC[C@H](C)CN(C)C(=O)[C@H](C)C(C)C 603100144 346951026 /nfs/dbraw/zinc/95/10/26/346951026.db2.gz NZBVMJWUQOYIGE-WDEREUQCSA-N 0 0 199.338 2.783 20 0 AFADRN CC[C@H](C)CN(C)C(=O)[C@@H](C)C(C)C 603100143 346951108 /nfs/dbraw/zinc/95/11/08/346951108.db2.gz NZBVMJWUQOYIGE-QWRGUYRKSA-N 0 0 199.338 2.783 20 0 AFADRN CC[C@@H](C)CN(C)C(=O)[C@@H](C)C(C)C 603100142 346951123 /nfs/dbraw/zinc/95/11/23/346951123.db2.gz NZBVMJWUQOYIGE-MNOVXSKESA-N 0 0 199.338 2.783 20 0 AFADRN CC(C)[C@H](C)C(=O)NC(C)(C)C(C)C 603087177 346951134 /nfs/dbraw/zinc/95/11/34/346951134.db2.gz RWWNXOFBFBNCAA-JTQLQIEISA-N 0 0 199.338 2.829 20 0 AFADRN CC[C@H](C)[C@@H](C)NC(=O)C(C)(C)CC 603225321 346951405 /nfs/dbraw/zinc/95/14/05/346951405.db2.gz KABZAMMMOAQKKZ-VHSXEESVSA-N 0 0 199.338 2.973 20 0 AFADRN CC[C@H](C)[C@H](C)NC(=O)C(C)(C)CC 603225320 346951455 /nfs/dbraw/zinc/95/14/55/346951455.db2.gz KABZAMMMOAQKKZ-UWVGGRQHSA-N 0 0 199.338 2.973 20 0 AFADRN CCC[C@@H](C)n1cc(CSC)nn1 603203448 346951502 /nfs/dbraw/zinc/95/15/02/346951502.db2.gz XHGHPMCRUAOPCD-MRVPVSSYSA-N 0 0 199.323 2.502 20 0 AFADRN CCC[C@H](C)n1cc(CSC)nn1 603203449 346951653 /nfs/dbraw/zinc/95/16/53/346951653.db2.gz XHGHPMCRUAOPCD-QMMMGPOBSA-N 0 0 199.323 2.502 20 0 AFADRN CC[C@@H](C)[C@@H](C)NC(=O)C(C)(C)CC 603225319 346951830 /nfs/dbraw/zinc/95/18/30/346951830.db2.gz KABZAMMMOAQKKZ-NXEZZACHSA-N 0 0 199.338 2.973 20 0 AFADRN CC[C@@H](C)[C@H](C)NC(=O)C(C)(C)CC 603225322 346951841 /nfs/dbraw/zinc/95/18/41/346951841.db2.gz KABZAMMMOAQKKZ-ZJUUUORDSA-N 0 0 199.338 2.973 20 0 AFADRN CC(C)[C@H](C)SCc1cn(C)cn1 603318385 346953840 /nfs/dbraw/zinc/95/38/40/346953840.db2.gz HQEYRLDFGIUANH-VIFPVBQESA-N 0 0 198.335 2.698 20 0 AFADRN Cn1cnc(CSC2CCCC2)c1 603299465 346952826 /nfs/dbraw/zinc/95/28/26/346952826.db2.gz HSZVYBXBDKOZDR-UHFFFAOYSA-N 0 0 196.319 2.596 20 0 AFADRN c1cc(CSCC2CC2)sn1 603332768 346953625 /nfs/dbraw/zinc/95/36/25/346953625.db2.gz PAMUBHLHXPRUIB-UHFFFAOYSA-N 0 0 185.317 2.786 20 0 AFADRN CC(C)=CCSCc1cn(C)cn1 603331209 346953652 /nfs/dbraw/zinc/95/36/52/346953652.db2.gz UVHAJVSEWHRXHD-UHFFFAOYSA-N 0 0 196.319 2.620 20 0 AFADRN CC[C@@H](C)CSCc1cn(C)cn1 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