smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[NH2+][C@H](C)COC 59088677 697623189 /nfs/dbraw/zinc/62/31/89/697623189.db2.gz PXHNSPZRKCEGDR-LLVKDONJSA-N 1 0 187.327 2.581 20 30 AFEDRO CCCCCCC[N@H+](C)CCC#N 59089305 697623464 /nfs/dbraw/zinc/62/34/64/697623464.db2.gz VCKWZTSMLGKLBE-UHFFFAOYSA-N 1 0 182.311 2.802 20 30 AFEDRO CCCCCCC[NH2+][C@@H](C)COC 59088674 697623529 /nfs/dbraw/zinc/62/35/29/697623529.db2.gz PXHNSPZRKCEGDR-NSHDSACASA-N 1 0 187.327 2.581 20 30 AFEDRO C=C(C)C[NH2+][C@H](C)c1ccccc1O 160207147 697660506 /nfs/dbraw/zinc/66/05/06/697660506.db2.gz UQTUDQUTBJJNIK-SNVBAGLBSA-N 1 0 191.274 2.619 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](CC)C1 160680390 697661317 /nfs/dbraw/zinc/66/13/17/697661317.db2.gz XNYQRYDPFWUMLO-QWHCGFSZSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+]C1CCC(CC)CC1 160679152 697661335 /nfs/dbraw/zinc/66/13/35/697661335.db2.gz RMFAPMWSYRYTPL-UHFFFAOYSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@H]1CCC[C@@H](CC)C1 160680061 697661340 /nfs/dbraw/zinc/66/13/40/697661340.db2.gz XNYQRYDPFWUMLO-OLZOCXBDSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@H]1CCC[C@H](CC)C1 160680177 697661361 /nfs/dbraw/zinc/66/13/61/697661361.db2.gz XNYQRYDPFWUMLO-STQMWFEESA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@H](C)CCCC 160878319 697661799 /nfs/dbraw/zinc/66/17/99/697661799.db2.gz WEECHKHPYTUPSP-LLVKDONJSA-N 1 0 167.296 2.568 20 30 AFEDRO C#CCCC[NH2+][C@@H](C)c1ccsc1 160883367 697661821 /nfs/dbraw/zinc/66/18/21/697661821.db2.gz PDECYOMJTJFDOK-JTQLQIEISA-N 1 0 193.315 2.812 20 30 AFEDRO C#CCCC[NH2+][C@H]1CCCC(C)(C)C1 160910633 697661829 /nfs/dbraw/zinc/66/18/29/697661829.db2.gz HUAFRWBHQKGKKX-LBPRGKRZSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@H]1CCc2ccccc21 160875512 697661831 /nfs/dbraw/zinc/66/18/31/697661831.db2.gz UAXPWJAFCUPUQJ-AWEZNQCLSA-N 1 0 199.297 2.677 20 30 AFEDRO C#CCCC[NH2+][C@@H](C)CCCC 160878478 697661840 /nfs/dbraw/zinc/66/18/40/697661840.db2.gz WEECHKHPYTUPSP-NSHDSACASA-N 1 0 167.296 2.568 20 30 AFEDRO C#CCCC[NH2+][C@H](C)c1ccsc1 160883494 697661857 /nfs/dbraw/zinc/66/18/57/697661857.db2.gz PDECYOMJTJFDOK-SNVBAGLBSA-N 1 0 193.315 2.812 20 30 AFEDRO C#CCCC[NH2+][C@H]1CCCCC1(C)C 160886015 697661865 /nfs/dbraw/zinc/66/18/65/697661865.db2.gz HQDQUCAHAMBXHD-LBPRGKRZSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@@H](C)CCC(C)C 160880302 697661871 /nfs/dbraw/zinc/66/18/71/697661871.db2.gz BWEYDVSZGOTILC-LBPRGKRZSA-N 1 0 181.323 2.814 20 30 AFEDRO C#CCCC[NH2+][C@H]1CCCC1(C)C 160885758 697661877 /nfs/dbraw/zinc/66/18/77/697661877.db2.gz IKCDJMZOJFZACF-NSHDSACASA-N 1 0 179.307 2.568 20 30 AFEDRO C#CCCC[NH2+][C@H](C)c1ccc(C)o1 160885006 697661880 /nfs/dbraw/zinc/66/18/80/697661880.db2.gz ODEKQGUWAPSVJB-LLVKDONJSA-N 1 0 191.274 2.652 20 30 AFEDRO C#CCCC[NH2+][C@@H](C)c1ccc(C)o1 160885122 697661920 /nfs/dbraw/zinc/66/19/20/697661920.db2.gz ODEKQGUWAPSVJB-NSHDSACASA-N 1 0 191.274 2.652 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CCCCC1(C)C 160886136 697661922 /nfs/dbraw/zinc/66/19/22/697661922.db2.gz HQDQUCAHAMBXHD-GFCCVEGCSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@H](C)C1CCCC1 160884319 697661952 /nfs/dbraw/zinc/66/19/52/697661952.db2.gz PORSLRYGSHLQLN-LLVKDONJSA-N 1 0 179.307 2.568 20 30 AFEDRO C#CCCC[NH2+][C@H](C)c1cccs1 160874948 697661982 /nfs/dbraw/zinc/66/19/82/697661982.db2.gz ICVYODRLLYFLMR-SNVBAGLBSA-N 1 0 193.315 2.812 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CCCC1(C)C 160885875 697662031 /nfs/dbraw/zinc/66/20/31/697662031.db2.gz IKCDJMZOJFZACF-LLVKDONJSA-N 1 0 179.307 2.568 20 30 AFEDRO C#CCCC[NH2+][C@@H](C)C1CCCC1 160884179 697662076 /nfs/dbraw/zinc/66/20/76/697662076.db2.gz PORSLRYGSHLQLN-NSHDSACASA-N 1 0 179.307 2.568 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CCc2ccccc21 160875362 697662127 /nfs/dbraw/zinc/66/21/27/697662127.db2.gz UAXPWJAFCUPUQJ-CQSZACIVSA-N 1 0 199.297 2.677 20 30 AFEDRO C#CCCC[NH2+][C@H](C)CCC(C)C 160880166 697662223 /nfs/dbraw/zinc/66/22/23/697662223.db2.gz BWEYDVSZGOTILC-GFCCVEGCSA-N 1 0 181.323 2.814 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CCCC(C)(C)C1 160910776 697662230 /nfs/dbraw/zinc/66/22/30/697662230.db2.gz HUAFRWBHQKGKKX-GFCCVEGCSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 160967059 697662484 /nfs/dbraw/zinc/66/24/84/697662484.db2.gz HODABLHKJPKUCL-VXGBXAGGSA-N 1 0 193.334 2.814 20 30 AFEDRO C#CCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 160966963 697662663 /nfs/dbraw/zinc/66/26/63/697662663.db2.gz HODABLHKJPKUCL-RYUDHWBXSA-N 1 0 193.334 2.814 20 30 AFEDRO C#CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 161111991 697664822 /nfs/dbraw/zinc/66/48/22/697664822.db2.gz PSYFTZZXTLBZAI-STQMWFEESA-N 1 0 191.318 2.664 20 30 AFEDRO C#CCCC[N@@H+](C)Cc1ccsc1 161088700 697663407 /nfs/dbraw/zinc/66/34/07/697663407.db2.gz SNGIOHWHWMZADJ-UHFFFAOYSA-N 1 0 193.315 2.593 20 30 AFEDRO C#CCCC[N@@H+](C)Cc1cccs1 161083683 697663501 /nfs/dbraw/zinc/66/35/01/697663501.db2.gz PNUHSSXGGBIPFD-UHFFFAOYSA-N 1 0 193.315 2.593 20 30 AFEDRO C#CCCC[N@H+]1CCCC[C@H]1CC 161084374 697663529 /nfs/dbraw/zinc/66/35/29/697663529.db2.gz IIOJYHADOHLJGR-GFCCVEGCSA-N 1 0 179.307 2.664 20 30 AFEDRO C#CCCC[N@@H+](CCC)CC1CC1 161078517 697663621 /nfs/dbraw/zinc/66/36/21/697663621.db2.gz XJOHSGTWPIEXQU-UHFFFAOYSA-N 1 0 179.307 2.522 20 30 AFEDRO C#CCCC[N@@H+](C)Cc1ccccc1 161084252 697663675 /nfs/dbraw/zinc/66/36/75/697663675.db2.gz WULRAUCZOWPWQM-UHFFFAOYSA-N 1 0 187.286 2.532 20 30 AFEDRO C#CCCC[NH+]1CCCCCCC1 161076561 697663761 /nfs/dbraw/zinc/66/37/61/697663761.db2.gz UVDVAMOWONFHGM-UHFFFAOYSA-N 1 0 179.307 2.666 20 30 AFEDRO C#CCCC[N@H+]1CCCC[C@@H]1CC 161084499 697663830 /nfs/dbraw/zinc/66/38/30/697663830.db2.gz IIOJYHADOHLJGR-LBPRGKRZSA-N 1 0 179.307 2.664 20 30 AFEDRO C#CCCC[N@@H+](CC)CCCC 161078363 697663857 /nfs/dbraw/zinc/66/38/57/697663857.db2.gz OLZJIVXDUIDNPY-UHFFFAOYSA-N 1 0 167.296 2.522 20 30 AFEDRO C#CCCC[NH+](CCC)CCC 161094035 697663888 /nfs/dbraw/zinc/66/38/88/697663888.db2.gz RRKXBZQPEJYOGX-UHFFFAOYSA-N 1 0 167.296 2.522 20 30 AFEDRO C#CCCC[N@@H+](CC(C)C)C1CC1 161092701 697663925 /nfs/dbraw/zinc/66/39/25/697663925.db2.gz MJZDXWMPEUCLGH-UHFFFAOYSA-N 1 0 179.307 2.520 20 30 AFEDRO C#CCCC[N@@H+](CCCC)C1CC1 161094441 697663955 /nfs/dbraw/zinc/66/39/55/697663955.db2.gz RMBWGNTYFHHVJS-UHFFFAOYSA-N 1 0 179.307 2.664 20 30 AFEDRO C#CCCC[N@H+]1CCC[C@@H]1C(C)C 161107919 697664432 /nfs/dbraw/zinc/66/44/32/697664432.db2.gz VXLQSLWJTHTYPH-GFCCVEGCSA-N 1 0 179.307 2.520 20 30 AFEDRO C#CCCC[NH+]1CCC(C)(CC)CC1 161112507 697664477 /nfs/dbraw/zinc/66/44/77/697664477.db2.gz ZQQHJZOAQBMRQY-UHFFFAOYSA-N 1 0 193.334 2.912 20 30 AFEDRO C#CCCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 161096755 697664539 /nfs/dbraw/zinc/66/45/39/697664539.db2.gz SKDXEOBBHZDRTM-STQMWFEESA-N 1 0 193.334 2.910 20 30 AFEDRO C#CCCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 161096646 697664553 /nfs/dbraw/zinc/66/45/53/697664553.db2.gz SKDXEOBBHZDRTM-OLZOCXBDSA-N 1 0 193.334 2.910 20 30 AFEDRO C#CCCC[N@@H+](CCC(C)C)C1CC1 161096061 697664674 /nfs/dbraw/zinc/66/46/74/697664674.db2.gz UKTIZOSEIQGIQL-UHFFFAOYSA-N 1 0 193.334 2.910 20 30 AFEDRO C#CCCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 161096888 697664701 /nfs/dbraw/zinc/66/47/01/697664701.db2.gz SKDXEOBBHZDRTM-CHWSQXEVSA-N 1 0 193.334 2.910 20 30 AFEDRO C#CCCC[NH+]1CCC(C)(C)CC1 161115361 697664761 /nfs/dbraw/zinc/66/47/61/697664761.db2.gz ZVDPIPOUBSKMBG-UHFFFAOYSA-N 1 0 179.307 2.522 20 30 AFEDRO C#CCCC[N@@H+](CC(C)C)C(C)C 161096369 697664815 /nfs/dbraw/zinc/66/48/15/697664815.db2.gz UZADGEZESKYHKS-UHFFFAOYSA-N 1 0 181.323 2.766 20 30 AFEDRO C#CCCC[N@H+]1CCC[C@H]1C(C)C 161107797 697664824 /nfs/dbraw/zinc/66/48/24/697664824.db2.gz VXLQSLWJTHTYPH-LBPRGKRZSA-N 1 0 179.307 2.520 20 30 AFEDRO C#CCCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 161097007 697664922 /nfs/dbraw/zinc/66/49/22/697664922.db2.gz SKDXEOBBHZDRTM-QWHCGFSZSA-N 1 0 193.334 2.910 20 30 AFEDRO C#CCCC[N@@H+](CC)C1CCCC1 161097276 697664987 /nfs/dbraw/zinc/66/49/87/697664987.db2.gz RENQZUDIVBIUTR-UHFFFAOYSA-N 1 0 179.307 2.664 20 30 AFEDRO C#CCCC[N@H+]1CC[C@@H](C)C[C@H]1C 161130930 697665396 /nfs/dbraw/zinc/66/53/96/697665396.db2.gz IUUUOIVYIJVTCX-VXGBXAGGSA-N 1 0 179.307 2.520 20 30 AFEDRO C#CCCC[N@H+]1CCC[C@H](C)[C@H]1C 161131492 697665412 /nfs/dbraw/zinc/66/54/12/697665412.db2.gz KNFBYXQQSCKGOZ-NWDGAFQWSA-N 1 0 179.307 2.520 20 30 AFEDRO C#CCCC[N@@H+](CC)C[C@@H](C)CC 161137121 697665433 /nfs/dbraw/zinc/66/54/33/697665433.db2.gz YMOUFPWDIOXFHN-LBPRGKRZSA-N 1 0 181.323 2.768 20 30 AFEDRO C#CCCC[NH+]1[C@@H](C)CCC[C@@H]1C 161123487 697665449 /nfs/dbraw/zinc/66/54/49/697665449.db2.gz RUEQDGXUAAZOOC-RYUDHWBXSA-N 1 0 179.307 2.663 20 30 AFEDRO C#CCCC[N@@H+]1[C@@H](C)CCC[C@H]1C 161123381 697665744 /nfs/dbraw/zinc/66/57/44/697665744.db2.gz RUEQDGXUAAZOOC-TXEJJXNPSA-N 1 0 179.307 2.663 20 30 AFEDRO C#CCCC[N@@H+](CC)C[C@H](C)CC 161137035 697665798 /nfs/dbraw/zinc/66/57/98/697665798.db2.gz YMOUFPWDIOXFHN-GFCCVEGCSA-N 1 0 181.323 2.768 20 30 AFEDRO C#CCCC[N@H+]1CCC(CC)(CC)C1 161138063 697665980 /nfs/dbraw/zinc/66/59/80/697665980.db2.gz ISFMHRDVLXVOSN-UHFFFAOYSA-N 1 0 193.334 2.912 20 30 AFEDRO C#CCCC[N@H+]1CCC[C@@H](C)[C@H]1C 161131366 697666020 /nfs/dbraw/zinc/66/60/20/697666020.db2.gz KNFBYXQQSCKGOZ-VXGBXAGGSA-N 1 0 179.307 2.520 20 30 AFEDRO C#CCCC[N@H+](CC1CC1)C(C)C 161141768 697666070 /nfs/dbraw/zinc/66/60/70/697666070.db2.gz JVRDCHROVLTKNE-UHFFFAOYSA-N 1 0 179.307 2.520 20 30 AFEDRO C#CCCC[NH2+][C@H]1CCCC[C@H]1CC 161234346 697666260 /nfs/dbraw/zinc/66/62/60/697666260.db2.gz PCOMWKAPSPEVPC-OLZOCXBDSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@H]1CCCC[C@@H]1CC 161234463 697666376 /nfs/dbraw/zinc/66/63/76/697666376.db2.gz PCOMWKAPSPEVPC-STQMWFEESA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 161242519 697666485 /nfs/dbraw/zinc/66/64/85/697666485.db2.gz CPUONUGBJMBVMQ-YNEHKIRRSA-N 1 0 193.334 2.814 20 30 AFEDRO C#CCCC[NH+](CC1CC1)CC1CC1 161144204 697666499 /nfs/dbraw/zinc/66/64/99/697666499.db2.gz NZGFGLSZVLQAIN-UHFFFAOYSA-N 1 0 191.318 2.522 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CCCC[C@H]1CC 161234598 697666528 /nfs/dbraw/zinc/66/65/28/697666528.db2.gz PCOMWKAPSPEVPC-CHWSQXEVSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@@H](CC)CCC 161190533 697666573 /nfs/dbraw/zinc/66/65/73/697666573.db2.gz LRFUYZABNVOIQA-NSHDSACASA-N 1 0 167.296 2.568 20 30 AFEDRO C#CCCC[NH2+]C(CC)(CC)CC 161144627 697666593 /nfs/dbraw/zinc/66/65/93/697666593.db2.gz SEZDPQDPMKBULV-UHFFFAOYSA-N 1 0 181.323 2.958 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 161242389 697666661 /nfs/dbraw/zinc/66/66/61/697666661.db2.gz CPUONUGBJMBVMQ-JHJVBQTASA-N 1 0 193.334 2.814 20 30 AFEDRO C#CCCC[N@@H+](C)C(C)(C)CC 161144047 697666694 /nfs/dbraw/zinc/66/66/94/697666694.db2.gz NLVINFUDKCWFFM-UHFFFAOYSA-N 1 0 167.296 2.520 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CCCC[C@@H]1CC 161234709 697666756 /nfs/dbraw/zinc/66/67/56/697666756.db2.gz PCOMWKAPSPEVPC-QWHCGFSZSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCC[N@H+]1CCCC[C@H]1CCC 161165538 697666785 /nfs/dbraw/zinc/66/67/85/697666785.db2.gz LRPPGZAVFIMZLJ-GFCCVEGCSA-N 1 0 179.307 2.664 20 30 AFEDRO C#CCC[N@H+]1CCCC[C@@H]1CCC 161165665 697666800 /nfs/dbraw/zinc/66/68/00/697666800.db2.gz LRPPGZAVFIMZLJ-LBPRGKRZSA-N 1 0 179.307 2.664 20 30 AFEDRO C#CCCC[NH2+][C@H](CC)CCC 161190435 697666811 /nfs/dbraw/zinc/66/68/11/697666811.db2.gz LRFUYZABNVOIQA-LLVKDONJSA-N 1 0 167.296 2.568 20 30 AFEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccccc1O 162199438 697667611 /nfs/dbraw/zinc/66/76/11/697667611.db2.gz NVBGPDVNQFMWFX-VHSXEESVSA-N 1 0 191.274 2.617 20 30 AFEDRO C=CCC[NH2+][C@@H](C)c1ccccc1O 162198237 697667764 /nfs/dbraw/zinc/66/77/64/697667764.db2.gz RLFGHZMUZYPDQG-JTQLQIEISA-N 1 0 191.274 2.619 20 30 AFEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccccc1O 162199571 697667805 /nfs/dbraw/zinc/66/78/05/697667805.db2.gz NVBGPDVNQFMWFX-NXEZZACHSA-N 1 0 191.274 2.617 20 30 AFEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccccc1O 162199226 697667863 /nfs/dbraw/zinc/66/78/63/697667863.db2.gz NVBGPDVNQFMWFX-UWVGGRQHSA-N 1 0 191.274 2.617 20 30 AFEDRO C=CCC[NH2+][C@H](C)c1ccccc1O 162198370 697667869 /nfs/dbraw/zinc/66/78/69/697667869.db2.gz RLFGHZMUZYPDQG-SNVBAGLBSA-N 1 0 191.274 2.619 20 30 AFEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O 162199329 697668001 /nfs/dbraw/zinc/66/80/01/697668001.db2.gz NVBGPDVNQFMWFX-ZJUUUORDSA-N 1 0 191.274 2.617 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 163089098 697668449 /nfs/dbraw/zinc/66/84/49/697668449.db2.gz FRBZTAKXPJMYKZ-FRRDWIJNSA-N 1 0 193.334 2.814 20 30 AFEDRO C#CCCC[NH2+]CCC1CCCCC1 163061035 697668455 /nfs/dbraw/zinc/66/84/55/697668455.db2.gz DHDPLPNZSYLDNU-UHFFFAOYSA-N 1 0 193.334 2.960 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 163089221 697668461 /nfs/dbraw/zinc/66/84/61/697668461.db2.gz FRBZTAKXPJMYKZ-RWMBFGLXSA-N 1 0 193.334 2.814 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 163085350 697668605 /nfs/dbraw/zinc/66/86/05/697668605.db2.gz VUEJZUFTNKBWIX-YNEHKIRRSA-N 1 0 193.334 2.814 20 30 AFEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 163085235 697668641 /nfs/dbraw/zinc/66/86/41/697668641.db2.gz VUEJZUFTNKBWIX-JHJVBQTASA-N 1 0 193.334 2.814 20 30 AFEDRO C#CCCC[NH2+]C[C@H](C)C(C)(C)C 163111520 697668832 /nfs/dbraw/zinc/66/88/32/697668832.db2.gz FXORDVCAGPNUPJ-NSHDSACASA-N 1 0 181.323 2.672 20 30 AFEDRO C#CCCC[NH2+]C[C@@H](C)C(C)(C)C 163111602 697668886 /nfs/dbraw/zinc/66/88/86/697668886.db2.gz FXORDVCAGPNUPJ-LLVKDONJSA-N 1 0 181.323 2.672 20 30 AFEDRO C#CCCCCCC[NH2+]C(C)C 163668161 697669404 /nfs/dbraw/zinc/66/94/04/697669404.db2.gz SFXYFHAMCLXTSS-UHFFFAOYSA-N 1 0 167.296 2.568 20 30 AFEDRO C#CCCCCCC[NH2+]CC(C)C 163668523 697669451 /nfs/dbraw/zinc/66/94/51/697669451.db2.gz VXINONVUFNLQJD-UHFFFAOYSA-N 1 0 181.323 2.816 20 30 AFEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H](C)C1 165930451 697670941 /nfs/dbraw/zinc/67/09/41/697670941.db2.gz LWGOOCJNIHPXHM-OLZOCXBDSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H]1C 165931482 697671037 /nfs/dbraw/zinc/67/10/37/697671037.db2.gz XCCIMEWEJVDBQO-NWDGAFQWSA-N 1 0 179.307 2.568 20 30 AFEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](C)C1 165930716 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LOLKWRWQDIAKMZ-WOPDTQHZSA-N 1 0 193.334 2.813 20 30 AFEDRO C=CCCCCCC[NH2+][C@@H](C)COC 379582702 697901885 /nfs/dbraw/zinc/90/18/85/697901885.db2.gz MEMLDIZEBYPVLA-LBPRGKRZSA-N 1 0 199.338 2.747 20 30 AFEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1CC)C(C)(C)C 379582192 697901892 /nfs/dbraw/zinc/90/18/92/697901892.db2.gz LOLKWRWQDIAKMZ-UTUOFQBUSA-N 1 0 193.334 2.813 20 30 AFEDRO C=CCCCCCC[NH2+][C@H](C)COC 379582701 697901941 /nfs/dbraw/zinc/90/19/41/697901941.db2.gz MEMLDIZEBYPVLA-GFCCVEGCSA-N 1 0 199.338 2.747 20 30 AFEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1CC)C(C)(C)C 379582191 697902044 /nfs/dbraw/zinc/90/20/44/697902044.db2.gz LOLKWRWQDIAKMZ-TUAOUCFPSA-N 1 0 193.334 2.813 20 30 AFEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1CC)C(C)(C)C 379582133 697902136 /nfs/dbraw/zinc/90/21/36/697902136.db2.gz LOLKWRWQDIAKMZ-SRVKXCTJSA-N 1 0 193.334 2.813 20 30 AFEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 379586342 697902662 /nfs/dbraw/zinc/90/26/62/697902662.db2.gz QULAZRYCHJAVSA-FRRDWIJNSA-N 1 0 191.318 2.568 20 30 AFEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H]1C(C)C 379594366 697902997 /nfs/dbraw/zinc/90/29/97/697902997.db2.gz COZLSOWOUMGVPR-UPJWGTAASA-N 1 0 193.334 2.813 20 30 AFEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H]1C(C)C 379594364 697903057 /nfs/dbraw/zinc/90/30/57/697903057.db2.gz COZLSOWOUMGVPR-FRRDWIJNSA-N 1 0 193.334 2.813 20 30 AFEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H]1C(C)C 379594363 697903079 /nfs/dbraw/zinc/90/30/79/697903079.db2.gz COZLSOWOUMGVPR-AGIUHOORSA-N 1 0 193.334 2.813 20 30 AFEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1C(C)C 379594365 697903220 /nfs/dbraw/zinc/90/32/20/697903220.db2.gz COZLSOWOUMGVPR-JHJVBQTASA-N 1 0 193.334 2.813 20 30 AFEDRO C#CCCCC[NH2+][C@@H]1CCC12CCC2 379598460 697903736 /nfs/dbraw/zinc/90/37/36/697903736.db2.gz HLCCEOAGDMWZAK-GFCCVEGCSA-N 1 0 191.318 2.712 20 30 AFEDRO C#CCCCC[NH2+][C@H]1CCC12CCC2 379598461 697903815 /nfs/dbraw/zinc/90/38/15/697903815.db2.gz HLCCEOAGDMWZAK-LBPRGKRZSA-N 1 0 191.318 2.712 20 30 AFEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 379601461 697904001 /nfs/dbraw/zinc/90/40/01/697904001.db2.gz LTXSGVXBCPQAHM-NEPJUHHUSA-N 1 0 195.306 2.623 20 30 AFEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCC=CO1 379601466 697904016 /nfs/dbraw/zinc/90/40/16/697904016.db2.gz LTXSGVXBCPQAHM-VXGBXAGGSA-N 1 0 195.306 2.623 20 30 AFEDRO C#C[C@@H]([NH2+][C@H](CC)CCC=C)C(C)C 379603976 697904024 /nfs/dbraw/zinc/90/40/24/697904024.db2.gz OPDPVSHAPNCBLL-CHWSQXEVSA-N 1 0 193.334 2.979 20 30 AFEDRO C#C[C@H]([NH2+][C@H](CC)CCC=C)C(C)C 379603984 697904105 /nfs/dbraw/zinc/90/41/05/697904105.db2.gz OPDPVSHAPNCBLL-OLZOCXBDSA-N 1 0 193.334 2.979 20 30 AFEDRO C#C[C@@H]([NH2+][C@@H](CC)CCC=C)C(C)C 379603986 697904125 /nfs/dbraw/zinc/90/41/25/697904125.db2.gz OPDPVSHAPNCBLL-QWHCGFSZSA-N 1 0 193.334 2.979 20 30 AFEDRO C#C[C@H]([NH2+][C@@H](CC)CCC=C)C(C)C 379603993 697904159 /nfs/dbraw/zinc/90/41/59/697904159.db2.gz OPDPVSHAPNCBLL-STQMWFEESA-N 1 0 193.334 2.979 20 30 AFEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC=CO1 379601464 697904214 /nfs/dbraw/zinc/90/42/14/697904214.db2.gz LTXSGVXBCPQAHM-RYUDHWBXSA-N 1 0 195.306 2.623 20 30 AFEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCC=CO1 379601463 697904217 /nfs/dbraw/zinc/90/42/17/697904217.db2.gz LTXSGVXBCPQAHM-NWDGAFQWSA-N 1 0 195.306 2.623 20 30 AFEDRO C#CCC[NH2+][C@@H]1CCCC[C@H]1CCC 379606090 697904256 /nfs/dbraw/zinc/90/42/56/697904256.db2.gz QEWJZIOYAXTSHP-CHWSQXEVSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCC[NH2+][C@@H]1CCCC[C@@H]1CCC 379606099 697904704 /nfs/dbraw/zinc/90/47/04/697904704.db2.gz QEWJZIOYAXTSHP-QWHCGFSZSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCC[NH2+][C@H]1CCCC[C@@H]1CCC 379606102 697904708 /nfs/dbraw/zinc/90/47/08/697904708.db2.gz QEWJZIOYAXTSHP-STQMWFEESA-N 1 0 193.334 2.958 20 30 AFEDRO CCC1(C)CCC([NH2+]CCC#N)CC1 379610691 697904721 /nfs/dbraw/zinc/90/47/21/697904721.db2.gz TWCMVLGTTLUQRI-UHFFFAOYSA-N 1 0 194.322 2.849 20 30 AFEDRO C#CCC[NH2+][C@H]1CCCC[C@H]1CCC 379606098 697904869 /nfs/dbraw/zinc/90/48/69/697904869.db2.gz QEWJZIOYAXTSHP-OLZOCXBDSA-N 1 0 193.334 2.958 20 30 AFEDRO CCCCC[C@H](C)[NH2+]CC1(C#N)CC1 379614673 697905162 /nfs/dbraw/zinc/90/51/62/697905162.db2.gz XWKUPGZYZVWMLX-NSHDSACASA-N 1 0 194.322 2.849 20 30 AFEDRO C#C[C@H](CC)[NH2+][C@H]1CC[C@H]1C1CCC1 379617371 697905181 /nfs/dbraw/zinc/90/51/81/697905181.db2.gz AOGCKNBSNQNFGM-AGIUHOORSA-N 1 0 191.318 2.567 20 30 AFEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@H]1C1CCC1 379617374 697905263 /nfs/dbraw/zinc/90/52/63/697905263.db2.gz AOGCKNBSNQNFGM-FRRDWIJNSA-N 1 0 191.318 2.567 20 30 AFEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C1CCC1 379617379 697905405 /nfs/dbraw/zinc/90/54/05/697905405.db2.gz AOGCKNBSNQNFGM-JHJVBQTASA-N 1 0 191.318 2.567 20 30 AFEDRO C#C[C@H](CC)[NH2+][C@H]1CC[C@@H]1C1CCC1 379617384 697905509 /nfs/dbraw/zinc/90/55/09/697905509.db2.gz AOGCKNBSNQNFGM-UPJWGTAASA-N 1 0 191.318 2.567 20 30 AFEDRO CCCCC[C@@H](C)[NH2+]CC1(C#N)CC1 379614672 697905521 /nfs/dbraw/zinc/90/55/21/697905521.db2.gz XWKUPGZYZVWMLX-LLVKDONJSA-N 1 0 194.322 2.849 20 30 AFEDRO N#CCC[NH2+]CCC1CCCCCC1 379625858 697905942 /nfs/dbraw/zinc/90/59/42/697905942.db2.gz JVXVHAMOSPNHES-UHFFFAOYSA-N 1 0 194.322 2.850 20 30 AFEDRO C=CC[NH2+]C(C)(C)c1ccc(F)cc1 379631316 697906787 /nfs/dbraw/zinc/90/67/87/697906787.db2.gz NUDQYRHSMIWREV-UHFFFAOYSA-N 1 0 193.265 2.836 20 30 AFEDRO C#C[C@H](C)[NH2+]CCC1CCCCCC1 379656051 697908224 /nfs/dbraw/zinc/90/82/24/697908224.db2.gz KTPBJWIPOWTZKG-LBPRGKRZSA-N 1 0 193.334 2.958 20 30 AFEDRO C#C[C@@H](C)[NH2+]CCC1CCCCCC1 379656050 697908242 /nfs/dbraw/zinc/90/82/42/697908242.db2.gz KTPBJWIPOWTZKG-GFCCVEGCSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCCC[NH2+][C@@H](CCC=C)C1CC1 379658932 697908986 /nfs/dbraw/zinc/90/89/86/697908986.db2.gz OCCSEDJXFODCJJ-ZDUSSCGKSA-N 1 0 191.318 2.734 20 30 AFEDRO C#CCCC[NH2+][C@H](CCC=C)C1CC1 379658931 697908779 /nfs/dbraw/zinc/90/87/79/697908779.db2.gz OCCSEDJXFODCJJ-CYBMUJFWSA-N 1 0 191.318 2.734 20 30 AFEDRO C#Cc1ccc(C[NH2+][C@@H](C)CC)cc1 379659074 697908929 /nfs/dbraw/zinc/90/89/29/697908929.db2.gz OFGVBRFNAUBGDP-NSHDSACASA-N 1 0 187.286 2.556 20 30 AFEDRO C#Cc1ccc(C[NH2+][C@@H](C)CC=C)cc1 379876399 697909901 /nfs/dbraw/zinc/90/99/01/697909901.db2.gz AJYRQMDPVPFJEP-LBPRGKRZSA-N 1 0 199.297 2.722 20 30 AFEDRO C#CC[NH2+][C@@H](c1ccccc1)C1CCC1 379777975 697909925 /nfs/dbraw/zinc/90/99/25/697909925.db2.gz DVMPTSYDROFAMG-AWEZNQCLSA-N 1 0 199.297 2.751 20 30 AFEDRO C#CC[NH2+][C@H](c1ccccc1)C1CCC1 379777978 697909936 /nfs/dbraw/zinc/90/99/36/697909936.db2.gz DVMPTSYDROFAMG-CQSZACIVSA-N 1 0 199.297 2.751 20 30 AFEDRO C#Cc1ccc(C[NH2+][C@H](C)CC=C)cc1 379876398 697910019 /nfs/dbraw/zinc/91/00/19/697910019.db2.gz AJYRQMDPVPFJEP-GFCCVEGCSA-N 1 0 199.297 2.722 20 30 AFEDRO C=CC[NH2+]Cc1nccc2ccccc12 380090398 697910519 /nfs/dbraw/zinc/91/05/19/697910519.db2.gz ISBDKJNGZQHYAB-UHFFFAOYSA-N 1 0 198.269 2.510 20 30 AFEDRO C#Cc1ccc(C[NH2+]CC=C(C)C)cc1 380030058 697910597 /nfs/dbraw/zinc/91/05/97/697910597.db2.gz PZKCDHQLFSLWGL-UHFFFAOYSA-N 1 0 199.297 2.724 20 30 AFEDRO C#Cc1ccc(C[NH2+]CCC2CC2)cc1 379947946 697910619 /nfs/dbraw/zinc/91/06/19/697910619.db2.gz DJNDVSMWPKVWCA-UHFFFAOYSA-N 1 0 199.297 2.558 20 30 AFEDRO C#Cc1ccc(C[NH2+][C@H]2CC2(C)C)cc1 380265581 697911447 /nfs/dbraw/zinc/91/14/47/697911447.db2.gz TZZQMGLUMDLJFP-ZDUSSCGKSA-N 1 0 199.297 2.556 20 30 AFEDRO CC1(C)CCC(C[NH2+]CCC#N)CC1 381635972 697913552 /nfs/dbraw/zinc/91/35/52/697913552.db2.gz BPBJSJASJOYNAJ-UHFFFAOYSA-N 1 0 194.322 2.706 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+]CC1(C)CCC1 384184659 697928680 /nfs/dbraw/zinc/92/86/80/697928680.db2.gz RRURBVUGVXDHFB-LBPRGKRZSA-N 1 0 179.307 2.568 20 30 AFEDRO C#C[C@H](CC)[NH2+]C/C=C\c1ccccc1 382361335 697922807 /nfs/dbraw/zinc/92/28/07/697922807.db2.gz OXHMJAGKPBDDKK-KOTGUFOOSA-N 1 0 199.297 2.701 20 30 AFEDRO C#C[C@@H](CC)[NH2+]C/C=C\c1ccccc1 382361336 697922909 /nfs/dbraw/zinc/92/29/09/697922909.db2.gz OXHMJAGKPBDDKK-MSKHEQNASA-N 1 0 199.297 2.701 20 30 AFEDRO C#CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 382422668 697923843 /nfs/dbraw/zinc/92/38/43/697923843.db2.gz XIRTWNRCNNEMJE-NSHDSACASA-N 1 0 199.297 2.848 20 30 AFEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H]2C[C@H]12 382402925 697923862 /nfs/dbraw/zinc/92/38/62/697923862.db2.gz QULAZRYCHJAVSA-AGIUHOORSA-N 1 0 191.318 2.568 20 30 AFEDRO C#CC[NH2+][C@H](C)c1cccc(C2CC2)c1 382422663 697924072 /nfs/dbraw/zinc/92/40/72/697924072.db2.gz XIRTWNRCNNEMJE-LLVKDONJSA-N 1 0 199.297 2.848 20 30 AFEDRO C#CCCC[NH2+]C1(CC)CCCC1 382566422 697924521 /nfs/dbraw/zinc/92/45/21/697924521.db2.gz OJICURBECMKJGL-UHFFFAOYSA-N 1 0 179.307 2.712 20 30 AFEDRO C#CCCC[N@H+](CC=C)C(C)(C)C 382494997 697924790 /nfs/dbraw/zinc/92/47/90/697924790.db2.gz IJKGVVSLVNZHNV-UHFFFAOYSA-N 1 0 179.307 2.686 20 30 AFEDRO CCCC=[NH+]n1cnc2ccccc21 382642830 697925446 /nfs/dbraw/zinc/92/54/46/697925446.db2.gz YNEAOJQMOBZHMK-UHFFFAOYSA-N 1 0 187.246 2.670 20 30 AFEDRO C#C[C@](C)(CC)[NH2+][C@H](C)CC(C)C 384133026 697927137 /nfs/dbraw/zinc/92/71/37/697927137.db2.gz BDSYJLDALVRLDK-VXGBXAGGSA-N 1 0 181.323 2.813 20 30 AFEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)CC(C)C 384133024 697927161 /nfs/dbraw/zinc/92/71/61/697927161.db2.gz BDSYJLDALVRLDK-NWDGAFQWSA-N 1 0 181.323 2.813 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+]CCCCCF 384141111 697927184 /nfs/dbraw/zinc/92/71/84/697927184.db2.gz DJGIWLPQGUHCJV-NSHDSACASA-N 1 0 185.286 2.518 20 30 AFEDRO C#C[C@](C)(CC)[NH2+]CCCCCF 384141084 697927234 /nfs/dbraw/zinc/92/72/34/697927234.db2.gz DJGIWLPQGUHCJV-LLVKDONJSA-N 1 0 185.286 2.518 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)CC(C)C 384133023 697927368 /nfs/dbraw/zinc/92/73/68/697927368.db2.gz BDSYJLDALVRLDK-NEPJUHHUSA-N 1 0 181.323 2.813 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)CC(C)C 384133025 697927498 /nfs/dbraw/zinc/92/74/98/697927498.db2.gz BDSYJLDALVRLDK-RYUDHWBXSA-N 1 0 181.323 2.813 20 30 AFEDRO C#C[C@](C)(CC)[NH2+]CCSC(C)C 384161801 697927757 /nfs/dbraw/zinc/92/77/57/697927757.db2.gz KBKTUQZGALTTBK-LLVKDONJSA-N 1 0 199.363 2.520 20 30 AFEDRO C#C[C@](C)(CC)[NH2+]CCC1CCCC1 384163323 697927886 /nfs/dbraw/zinc/92/78/86/697927886.db2.gz KPIIHLAMHPPWMF-CYBMUJFWSA-N 1 0 193.334 2.958 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+]CCC1CCCC1 384163324 697927962 /nfs/dbraw/zinc/92/79/62/697927962.db2.gz KPIIHLAMHPPWMF-ZDUSSCGKSA-N 1 0 193.334 2.958 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccsc1 384156049 697928033 /nfs/dbraw/zinc/92/80/33/697928033.db2.gz IIQSZZXJWMSIOP-NSHDSACASA-N 1 0 193.315 2.640 20 30 AFEDRO C#C[C@](C)(CC)[NH2+]Cc1ccsc1 384156048 697928087 /nfs/dbraw/zinc/92/80/87/697928087.db2.gz IIQSZZXJWMSIOP-LLVKDONJSA-N 1 0 193.315 2.640 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+]CCSC(C)C 384161802 697928128 /nfs/dbraw/zinc/92/81/28/697928128.db2.gz KBKTUQZGALTTBK-NSHDSACASA-N 1 0 199.363 2.520 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+]CCCC(C)C 384177089 697928381 /nfs/dbraw/zinc/92/83/81/697928381.db2.gz OPCJDLHNKJGFDJ-LBPRGKRZSA-N 1 0 181.323 2.814 20 30 AFEDRO C#C[C@](C)(CC)[NH2+]CCCC(C)C 384177088 697928519 /nfs/dbraw/zinc/92/85/19/697928519.db2.gz OPCJDLHNKJGFDJ-GFCCVEGCSA-N 1 0 181.323 2.814 20 30 AFEDRO C#C[C@](C)(CC)[NH2+]CC1(C)CCC1 384184658 697928655 /nfs/dbraw/zinc/92/86/55/697928655.db2.gz RRURBVUGVXDHFB-GFCCVEGCSA-N 1 0 179.307 2.568 20 30 AFEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)CCC 384234984 697929674 /nfs/dbraw/zinc/92/96/74/697929674.db2.gz YVEATPZWOUYGPU-WDEREUQCSA-N 1 0 167.296 2.567 20 30 AFEDRO C#C[C@](C)(CC)[NH2+][C@H](C)CCC 384234981 697929795 /nfs/dbraw/zinc/92/97/95/697929795.db2.gz YVEATPZWOUYGPU-GHMZBOCLSA-N 1 0 167.296 2.567 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)CCC 384234982 697929806 /nfs/dbraw/zinc/92/98/06/697929806.db2.gz YVEATPZWOUYGPU-MNOVXSKESA-N 1 0 167.296 2.567 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)CCC 384234983 697929853 /nfs/dbraw/zinc/92/98/53/697929853.db2.gz YVEATPZWOUYGPU-QWRGUYRKSA-N 1 0 167.296 2.567 20 30 AFEDRO C=C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C 384656119 697930073 /nfs/dbraw/zinc/93/00/73/697930073.db2.gz VDWHWANLPNCPJB-ZJUUUORDSA-N 1 0 169.312 2.975 20 30 AFEDRO C[C@@H](CC(C)(C)C)[NH2+]CCCC#N 384656485 697930104 /nfs/dbraw/zinc/93/01/04/697930104.db2.gz NWBQBOVESBLEDA-JTQLQIEISA-N 1 0 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/nfs/dbraw/zinc/62/65/83/343626583.db2.gz MTMVEJFYPQPWAS-LLVKDONJSA-N 1 0 194.322 2.801 20 30 AFEDRO CC[C@H](C)C[N@H+](C)CC1(CC#N)CC1 83862290 343626588 /nfs/dbraw/zinc/62/65/88/343626588.db2.gz MBKCGSAONCGHCN-NSHDSACASA-N 1 0 194.322 2.658 20 30 AFEDRO C[N@H+](CC(C)(C)C)CC1(CC#N)CC1 83862353 343626627 /nfs/dbraw/zinc/62/66/27/343626627.db2.gz LPJUDZHCNGCGCK-UHFFFAOYSA-N 1 0 194.322 2.658 20 30 AFEDRO CCC[C@H](C)[N@H+](C)CC1(CC#N)CC1 83862312 343626652 /nfs/dbraw/zinc/62/66/52/343626652.db2.gz MTMVEJFYPQPWAS-NSHDSACASA-N 1 0 194.322 2.801 20 30 AFEDRO CC(C)[C@H](C)[N@H+](C)CC1(CC#N)CC1 83862306 343626702 /nfs/dbraw/zinc/62/67/02/343626702.db2.gz RWCYVBSLDYHZHA-NSHDSACASA-N 1 0 194.322 2.657 20 30 AFEDRO CC[C@@H](C)[N@H+](CC)CC1(CC#N)CC1 83862284 343626710 /nfs/dbraw/zinc/62/67/10/343626710.db2.gz JGRGKRWAHBJDAR-LLVKDONJSA-N 1 0 194.322 2.801 20 30 AFEDRO CC(C)[C@@H](C)[N@H+](C)CC1(CC#N)CC1 83862304 343626721 /nfs/dbraw/zinc/62/67/21/343626721.db2.gz RWCYVBSLDYHZHA-LLVKDONJSA-N 1 0 194.322 2.657 20 30 AFEDRO CC[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 83862323 343626755 /nfs/dbraw/zinc/62/67/55/343626755.db2.gz HTTSDBRVJWVIGP-NSHDSACASA-N 1 0 192.306 2.555 20 30 AFEDRO CC(C)CC[N@H+](C)CC1(CC#N)CC1 83862333 343626784 /nfs/dbraw/zinc/62/67/84/343626784.db2.gz NSJDBEUAUPHAFU-UHFFFAOYSA-N 1 0 194.322 2.658 20 30 AFEDRO CCC(C)(C)[N@H+](C)CC1(CC#N)CC1 83862378 343626800 /nfs/dbraw/zinc/62/68/00/343626800.db2.gz GOOGZFLUBMOMIO-UHFFFAOYSA-N 1 0 194.322 2.801 20 30 AFEDRO CC[C@H](C)[N@H+](CC)CC1(CC#N)CC1 83862285 343626807 /nfs/dbraw/zinc/62/68/07/343626807.db2.gz JGRGKRWAHBJDAR-NSHDSACASA-N 1 0 194.322 2.801 20 30 AFEDRO CC[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 83862322 343626901 /nfs/dbraw/zinc/62/69/01/343626901.db2.gz HTTSDBRVJWVIGP-LLVKDONJSA-N 1 0 192.306 2.555 20 30 AFEDRO CC[C@@H](C)C[N@H+](C)CC1(CC#N)CC1 83862289 343626979 /nfs/dbraw/zinc/62/69/79/343626979.db2.gz MBKCGSAONCGHCN-LLVKDONJSA-N 1 0 194.322 2.658 20 30 AFEDRO C[C@H]1CCCCC[C@H]1[NH2+]CCCC#N 83949316 343628820 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CC[C@@H](C)C[N@H+](CC)CCCC#N 86437651 343652062 /nfs/dbraw/zinc/65/20/62/343652062.db2.gz JKRMQYYVJMKRLN-LLVKDONJSA-N 1 0 182.311 2.658 20 30 AFEDRO CC[C@@H](C)[NH2+]Cc1cc(C#N)cs1 86500118 343652346 /nfs/dbraw/zinc/65/23/46/343652346.db2.gz LKMRYLZAPJJZHT-MRVPVSSYSA-N 1 0 194.303 2.508 20 30 AFEDRO CC(C)(C)[NH2+]Cc1cc(C#N)cs1 86500173 343652366 /nfs/dbraw/zinc/65/23/66/343652366.db2.gz TYIKMDOWOLMJDC-UHFFFAOYSA-N 1 0 194.303 2.508 20 30 AFEDRO CCCC[NH2+]Cc1cc(C#N)cs1 86500095 343652370 /nfs/dbraw/zinc/65/23/70/343652370.db2.gz QGPSNVOMVHUXHS-UHFFFAOYSA-N 1 0 194.303 2.509 20 30 AFEDRO CC[C@H](C)[NH2+]Cc1cc(C#N)cs1 86500119 343652604 /nfs/dbraw/zinc/65/26/04/343652604.db2.gz LKMRYLZAPJJZHT-QMMMGPOBSA-N 1 0 194.303 2.508 20 30 AFEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCC1(C)C 86857342 343656242 /nfs/dbraw/zinc/65/62/42/343656242.db2.gz ZWWNZLZBTAYRSE-MNOVXSKESA-N 1 0 194.322 2.847 20 30 AFEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCC1(C)C 86857340 343656392 /nfs/dbraw/zinc/65/63/92/343656392.db2.gz 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CC[C@@H](CC#N)[NH2+][C@@H]1CCC(C)(C)C1 87771686 343663898 /nfs/dbraw/zinc/66/38/98/343663898.db2.gz CNIMSJWSYMZDRJ-WDEREUQCSA-N 1 0 194.322 2.847 20 30 AFEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCC(C)(C)C1 87771690 343664027 /nfs/dbraw/zinc/66/40/27/343664027.db2.gz CNIMSJWSYMZDRJ-QWRGUYRKSA-N 1 0 194.322 2.847 20 30 AFEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC(C)(C)C1 87771688 343664035 /nfs/dbraw/zinc/66/40/35/343664035.db2.gz CNIMSJWSYMZDRJ-GHMZBOCLSA-N 1 0 194.322 2.847 20 30 AFEDRO N#CC[C@H]1CCC[N@@H+](C2CCCC2)C1 107462906 343750013 /nfs/dbraw/zinc/75/00/13/343750013.db2.gz BRDWANVFISAYIC-LLVKDONJSA-N 1 0 192.306 2.555 20 30 AFEDRO N#CC[C@@H]1CCC[N@@H+](C2CCCC2)C1 107462907 343750077 /nfs/dbraw/zinc/75/00/77/343750077.db2.gz BRDWANVFISAYIC-NSHDSACASA-N 1 0 192.306 2.555 20 30 AFEDRO CC(C)CC[N@H+](CCCC#N)C1CC1 107812542 343750310 /nfs/dbraw/zinc/75/03/10/343750310.db2.gz ZQQDLZUWCNUQGG-UHFFFAOYSA-N 1 0 194.322 2.801 20 30 AFEDRO CC(C)C1CC[NH+](CCCC#N)CC1 108304256 343752150 /nfs/dbraw/zinc/75/21/50/343752150.db2.gz VBBZHUNKBQXWIS-UHFFFAOYSA-N 1 0 194.322 2.658 20 30 AFEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCCC#N 108304274 343752443 /nfs/dbraw/zinc/75/24/43/343752443.db2.gz STHCYFUQKMYGRI-NSHDSACASA-N 1 0 194.322 2.801 20 30 AFEDRO CC(C)(C)[C@H]1CC[N@H+](CCCC#N)C1 108304262 343752446 /nfs/dbraw/zinc/75/24/46/343752446.db2.gz LCBSBOSBBXUFCH-NSHDSACASA-N 1 0 194.322 2.658 20 30 AFEDRO CC(C)(C)[C@@H]1CC[N@H+](CCCC#N)C1 108304261 343752550 /nfs/dbraw/zinc/75/25/50/343752550.db2.gz LCBSBOSBBXUFCH-LLVKDONJSA-N 1 0 194.322 2.658 20 30 AFEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCCC#N 108304277 343752580 /nfs/dbraw/zinc/75/25/80/343752580.db2.gz STHCYFUQKMYGRI-LLVKDONJSA-N 1 0 194.322 2.801 20 30 AFEDRO C=C(C[NH2+]CC1CC1)c1ccccc1 112343934 343755190 /nfs/dbraw/zinc/75/51/90/343755190.db2.gz NDJUMZQFNOTIGY-UHFFFAOYSA-N 1 0 187.286 2.699 20 30 AFEDRO C=CCC[C@H](C)[NH2+]CCCSC 126842841 343797806 /nfs/dbraw/zinc/79/78/06/343797806.db2.gz BPPUQVGQEXTYKF-JTQLQIEISA-N 1 0 187.352 2.684 20 30 AFEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCCCCC2)C1 113212490 343757582 /nfs/dbraw/zinc/75/75/82/343757582.db2.gz QLFJCFGLARSWEN-VXGBXAGGSA-N 1 0 192.306 2.555 20 30 AFEDRO N#C[C@H]1CC[C@@H]([NH+]2CCCCCC2)C1 113212492 343757601 /nfs/dbraw/zinc/75/76/01/343757601.db2.gz QLFJCFGLARSWEN-NWDGAFQWSA-N 1 0 192.306 2.555 20 30 AFEDRO CCC[NH+](CCC)[C@H]1CC[C@H](C#N)C1 113219482 343757620 /nfs/dbraw/zinc/75/76/20/343757620.db2.gz MIUJAIUXLIGBMI-RYUDHWBXSA-N 1 0 194.322 2.801 20 30 AFEDRO N#C[C@H]1CC[C@H]([NH+]2CCCCCC2)C1 113212489 343757627 /nfs/dbraw/zinc/75/76/27/343757627.db2.gz QLFJCFGLARSWEN-RYUDHWBXSA-N 1 0 192.306 2.555 20 30 AFEDRO CCC[NH+](CCC)[C@H]1CC[C@@H](C#N)C1 113219485 343757761 /nfs/dbraw/zinc/75/77/61/343757761.db2.gz MIUJAIUXLIGBMI-NEPJUHHUSA-N 1 0 194.322 2.801 20 30 AFEDRO CCC[NH+](CCC)[C@@H]1CC[C@@H](C#N)C1 113219483 343757807 /nfs/dbraw/zinc/75/78/07/343757807.db2.gz MIUJAIUXLIGBMI-VXGBXAGGSA-N 1 0 194.322 2.801 20 30 AFEDRO N#C[C@@H]1CC[C@H]([NH+]2CCCCCC2)C1 113212487 343757812 /nfs/dbraw/zinc/75/78/12/343757812.db2.gz QLFJCFGLARSWEN-NEPJUHHUSA-N 1 0 192.306 2.555 20 30 AFEDRO CCC[NH+](CCC)[C@@H]1CC[C@H](C#N)C1 113219480 343757827 /nfs/dbraw/zinc/75/78/27/343757827.db2.gz MIUJAIUXLIGBMI-NWDGAFQWSA-N 1 0 194.322 2.801 20 30 AFEDRO C=CCCC[NH+]1Cc2ccccc2C1 114115518 343761399 /nfs/dbraw/zinc/76/13/99/343761399.db2.gz KWNPXVQLIRUWOM-UHFFFAOYSA-N 1 0 187.286 2.968 20 30 AFEDRO C#Cc1ccc(C[NH+](CC)CC)cc1 114135211 343761571 /nfs/dbraw/zinc/76/15/71/343761571.db2.gz MJDSLUCFMNZARS-UHFFFAOYSA-N 1 0 187.286 2.510 20 30 AFEDRO C=CC[N@@H+](CC)Cc1ccccc1 118636300 343776249 /nfs/dbraw/zinc/77/62/49/343776249.db2.gz XFBCTRYCNFNWSE-UHFFFAOYSA-N 1 0 175.275 2.695 20 30 AFEDRO CC1(C)CC[C@@H]([NH2+]CCCCC#N)C1 122608500 343780756 /nfs/dbraw/zinc/78/07/56/343780756.db2.gz RSMWIPPCFOKVTA-LLVKDONJSA-N 1 0 194.322 2.849 20 30 AFEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Cl)o1 124233818 343785639 /nfs/dbraw/zinc/78/56/39/343785639.db2.gz CKLNEGIRAXFSBN-QMMMGPOBSA-N 1 0 199.681 2.987 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccnc1 124111883 343785719 /nfs/dbraw/zinc/78/57/19/343785719.db2.gz KCRIZOWBIZWROI-MNOVXSKESA-N 1 0 190.290 2.697 20 30 AFEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Cl)o1 124233977 343785753 /nfs/dbraw/zinc/78/57/53/343785753.db2.gz CKLNEGIRAXFSBN-MRVPVSSYSA-N 1 0 199.681 2.987 20 30 AFEDRO C=CC[C@@H](C)[NH2+]CC(C)(C)C 124235289 343785772 /nfs/dbraw/zinc/78/57/72/343785772.db2.gz MITGMAOJUCUHBP-SECBINFHSA-N 1 0 155.285 2.587 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccnc1 124112138 343785791 /nfs/dbraw/zinc/78/57/91/343785791.db2.gz KCRIZOWBIZWROI-WDEREUQCSA-N 1 0 190.290 2.697 20 30 AFEDRO C=CC[C@H](C)[NH2+]CC(C)(C)C 124235169 343785931 /nfs/dbraw/zinc/78/59/31/343785931.db2.gz MITGMAOJUCUHBP-VIFPVBQESA-N 1 0 155.285 2.587 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccnc1 124111667 343785953 /nfs/dbraw/zinc/78/59/53/343785953.db2.gz KCRIZOWBIZWROI-QWRGUYRKSA-N 1 0 190.290 2.697 20 30 AFEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(F)c1 124253905 343786230 /nfs/dbraw/zinc/78/62/30/343786230.db2.gz UMHGJAPNEMZEFV-SNVBAGLBSA-N 1 0 193.265 2.880 20 30 AFEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(F)cc1 124248418 343786263 /nfs/dbraw/zinc/78/62/63/343786263.db2.gz PSYFWSSWAIMMOM-SNVBAGLBSA-N 1 0 193.265 2.880 20 30 AFEDRO C=CC[C@H](C)[NH2+]Cc1ccc(F)cc1 124248270 343786340 /nfs/dbraw/zinc/78/63/40/343786340.db2.gz PSYFWSSWAIMMOM-JTQLQIEISA-N 1 0 193.265 2.880 20 30 AFEDRO C=CC[C@H](C)[NH2+]Cc1cccc(F)c1 124253700 343786445 /nfs/dbraw/zinc/78/64/45/343786445.db2.gz UMHGJAPNEMZEFV-JTQLQIEISA-N 1 0 193.265 2.880 20 30 AFEDRO C=CC[C@H](C)[NH2+]Cc1cccs1 124254932 343786455 /nfs/dbraw/zinc/78/64/55/343786455.db2.gz MJTIOJPELKWBIU-VIFPVBQESA-N 1 0 181.304 2.802 20 30 AFEDRO C=CC[C@@H](C)[NH2+]Cc1cccs1 124255085 343786480 /nfs/dbraw/zinc/78/64/80/343786480.db2.gz MJTIOJPELKWBIU-SECBINFHSA-N 1 0 181.304 2.802 20 30 AFEDRO C=CC[C@@H](C)[NH2+]Cc1ccsc1 124245351 343786502 /nfs/dbraw/zinc/78/65/02/343786502.db2.gz JWKTYKQFILCQQV-SECBINFHSA-N 1 0 181.304 2.802 20 30 AFEDRO C=CC[C@H](C)[NH2+]Cc1ccsc1 124245168 343786539 /nfs/dbraw/zinc/78/65/39/343786539.db2.gz JWKTYKQFILCQQV-VIFPVBQESA-N 1 0 181.304 2.802 20 30 AFEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C)o1 124255723 343786542 /nfs/dbraw/zinc/78/65/42/343786542.db2.gz XPHMGSGZVBLBNS-VIFPVBQESA-N 1 0 179.263 2.642 20 30 AFEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C)o1 124256030 343786592 /nfs/dbraw/zinc/78/65/92/343786592.db2.gz XPHMGSGZVBLBNS-SECBINFHSA-N 1 0 179.263 2.642 20 30 AFEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1F 124264786 343786606 /nfs/dbraw/zinc/78/66/06/343786606.db2.gz SCTCHPNEIJKPNJ-JTQLQIEISA-N 1 0 193.265 2.880 20 30 AFEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCCC#N 124573835 343786887 /nfs/dbraw/zinc/78/68/87/343786887.db2.gz SMPTVUSOEIINGC-NWDGAFQWSA-N 1 0 194.322 2.943 20 30 AFEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCCC#N 124574261 343786950 /nfs/dbraw/zinc/78/69/50/343786950.db2.gz SMPTVUSOEIINGC-NEPJUHHUSA-N 1 0 194.322 2.943 20 30 AFEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCCCC#N 124573974 343787045 /nfs/dbraw/zinc/78/70/45/343787045.db2.gz SMPTVUSOEIINGC-RYUDHWBXSA-N 1 0 194.322 2.943 20 30 AFEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCCC#N 124574119 343787181 /nfs/dbraw/zinc/78/71/81/343787181.db2.gz SMPTVUSOEIINGC-VXGBXAGGSA-N 1 0 194.322 2.943 20 30 AFEDRO CC[C@H](CC#N)[NH2+][C@H](C)CC1CCC1 126421314 343793375 /nfs/dbraw/zinc/79/33/75/343793375.db2.gz VBVBNQPYPGRPIC-ZYHUDNBSSA-N 1 0 194.322 2.847 20 30 AFEDRO CCCC[C@@H](C)[NH2+]CC(C)(C)C#N 126417975 343793439 /nfs/dbraw/zinc/79/34/39/343793439.db2.gz PATHERNNBJVDNF-SNVBAGLBSA-N 1 0 182.311 2.704 20 30 AFEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CC1CCC1 126420835 343793494 /nfs/dbraw/zinc/79/34/94/343793494.db2.gz VBVBNQPYPGRPIC-CMPLNLGQSA-N 1 0 194.322 2.847 20 30 AFEDRO CCCC[C@H](C)[NH2+]CC(C)(C)C#N 126418183 343793504 /nfs/dbraw/zinc/79/35/04/343793504.db2.gz PATHERNNBJVDNF-JTQLQIEISA-N 1 0 182.311 2.704 20 30 AFEDRO CC(C)CC[C@@H](C)[NH2+]CC(C)(C)C#N 126414542 343793520 /nfs/dbraw/zinc/79/35/20/343793520.db2.gz CKJZUMGIMIIUMS-LLVKDONJSA-N 1 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343795061 /nfs/dbraw/zinc/79/50/61/343795061.db2.gz YYBREOORWDFDFN-UHFFFAOYSA-N 1 0 182.311 2.706 20 30 AFEDRO CC(C)CC[NH2+]CC(C)(C)CCC#N 126615703 343795136 /nfs/dbraw/zinc/79/51/36/343795136.db2.gz ZFBKNUAKZXXHCJ-UHFFFAOYSA-N 1 0 196.338 2.952 20 30 AFEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C1CC1 126639630 343795186 /nfs/dbraw/zinc/79/51/86/343795186.db2.gz UAPNPVNKWRJZEN-SNVBAGLBSA-N 1 0 194.322 2.704 20 30 AFEDRO C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)CCC#N 126676002 343795497 /nfs/dbraw/zinc/79/54/97/343795497.db2.gz CHBZHBCPEGKKGD-WDEREUQCSA-N 1 0 194.322 2.562 20 30 AFEDRO C[C@H]1C[C@H]1C[NH2+]CC(C)(C)CCC#N 126676472 343795534 /nfs/dbraw/zinc/79/55/34/343795534.db2.gz CHBZHBCPEGKKGD-QWRGUYRKSA-N 1 0 194.322 2.562 20 30 AFEDRO C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)CCC#N 126675768 343795554 /nfs/dbraw/zinc/79/55/54/343795554.db2.gz CHBZHBCPEGKKGD-GHMZBOCLSA-N 1 0 194.322 2.562 20 30 AFEDRO C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)CCC#N 126676204 343795662 /nfs/dbraw/zinc/79/56/62/343795662.db2.gz CHBZHBCPEGKKGD-MNOVXSKESA-N 1 0 194.322 2.562 20 30 AFEDRO CC(C)(C)C[NH2+]CC(C)(C)CCC#N 126712866 343795889 /nfs/dbraw/zinc/79/58/89/343795889.db2.gz IZOIOJZTBYIYAX-UHFFFAOYSA-N 1 0 196.338 2.952 20 30 AFEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC1(C)C 126700964 343796071 /nfs/dbraw/zinc/79/60/71/343796071.db2.gz VJPRBUYEFGFMET-JTQLQIEISA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)(CCC#N)C[NH2+]CC1CCC1 126728430 343796230 /nfs/dbraw/zinc/79/62/30/343796230.db2.gz OMJOXDYNJWKICD-UHFFFAOYSA-N 1 0 194.322 2.706 20 30 AFEDRO C=CCC[C@@H](C)[NH2+]CCCSC 126843053 343797698 /nfs/dbraw/zinc/79/76/98/343797698.db2.gz BPPUQVGQEXTYKF-SNVBAGLBSA-N 1 0 187.352 2.684 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 126887115 343798974 /nfs/dbraw/zinc/79/89/74/343798974.db2.gz WBECGUGDVQRWCU-DCAQKATOSA-N 1 0 167.296 2.729 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 126886866 343799045 /nfs/dbraw/zinc/79/90/45/343799045.db2.gz WBECGUGDVQRWCU-VWYCJHECSA-N 1 0 167.296 2.729 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 126887572 343799101 /nfs/dbraw/zinc/79/91/01/343799101.db2.gz WBECGUGDVQRWCU-GARJFASQSA-N 1 0 167.296 2.729 20 30 AFEDRO C=CC[C@@H](C)[NH2+]Cc1occc1C 126888584 343799162 /nfs/dbraw/zinc/79/91/62/343799162.db2.gz KIROOWWGVOYMKK-SNVBAGLBSA-N 1 0 179.263 2.642 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 126887343 343799271 /nfs/dbraw/zinc/79/92/71/343799271.db2.gz WBECGUGDVQRWCU-OUAUKWLOSA-N 1 0 167.296 2.729 20 30 AFEDRO C=CC[C@H](C)[NH2+]Cc1scnc1C 126888808 343799300 /nfs/dbraw/zinc/79/93/00/343799300.db2.gz SXOLLHJFNUDECR-QMMMGPOBSA-N 1 0 196.319 2.506 20 30 AFEDRO C=CC[C@H](C)[NH2+]Cc1occc1C 126888339 343799312 /nfs/dbraw/zinc/79/93/12/343799312.db2.gz KIROOWWGVOYMKK-JTQLQIEISA-N 1 0 179.263 2.642 20 30 AFEDRO C=CC[C@H](C)[NH2+]C1CCCCC1 126886404 343799323 /nfs/dbraw/zinc/79/93/23/343799323.db2.gz UPDCILHDBGIZIN-JTQLQIEISA-N 1 0 167.296 2.873 20 30 AFEDRO C=CC[C@@H](C)[NH2+]C1CCCCC1 126886631 343799331 /nfs/dbraw/zinc/79/93/31/343799331.db2.gz UPDCILHDBGIZIN-SNVBAGLBSA-N 1 0 167.296 2.873 20 30 AFEDRO C=CC[C@@H](C)[NH2+]Cc1scnc1C 126889103 343799333 /nfs/dbraw/zinc/79/93/33/343799333.db2.gz SXOLLHJFNUDECR-MRVPVSSYSA-N 1 0 196.319 2.506 20 30 AFEDRO C=CC[C@H](C)[NH2+]CC(C)(C)CCC#N 126893210 343799616 /nfs/dbraw/zinc/79/96/16/343799616.db2.gz VMRCWMFQHPXUTG-NSHDSACASA-N 1 0 194.322 2.871 20 30 AFEDRO C=CC[C@@H](C)[NH2+]CC(C)(C)CCC#N 126893443 343799877 /nfs/dbraw/zinc/79/98/77/343799877.db2.gz VMRCWMFQHPXUTG-LLVKDONJSA-N 1 0 194.322 2.871 20 30 AFEDRO CC(C)(CCC#N)C[NH2+]CCC1CC1 127148377 343805667 /nfs/dbraw/zinc/80/56/67/343805667.db2.gz QGUQJUFLRFRKPA-UHFFFAOYSA-N 1 0 194.322 2.706 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccncc1 128033395 343823526 /nfs/dbraw/zinc/82/35/26/343823526.db2.gz YKSAPYYUMDQYCK-MNOVXSKESA-N 1 0 190.290 2.697 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccncc1 128033553 343823603 /nfs/dbraw/zinc/82/36/03/343823603.db2.gz YKSAPYYUMDQYCK-WDEREUQCSA-N 1 0 190.290 2.697 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccncc1 128033195 343823737 /nfs/dbraw/zinc/82/37/37/343823737.db2.gz YKSAPYYUMDQYCK-QWRGUYRKSA-N 1 0 190.290 2.697 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccncc1 128033708 343823783 /nfs/dbraw/zinc/82/37/83/343823783.db2.gz YKSAPYYUMDQYCK-GHMZBOCLSA-N 1 0 190.290 2.697 20 30 AFEDRO C[N@H+](CCCC(C)(C)C#N)C1CCC1 128809978 343837861 /nfs/dbraw/zinc/83/78/61/343837861.db2.gz SIVDZBBJOKEULR-UHFFFAOYSA-N 1 0 194.322 2.801 20 30 AFEDRO CC1CC([NH2+]CC(C)(C)CCC#N)C1 128874014 343839580 /nfs/dbraw/zinc/83/95/80/343839580.db2.gz MBQQUGLNIIRMIQ-UHFFFAOYSA-N 1 0 194.322 2.704 20 30 AFEDRO CCC(CC)C[N@H+](C)[C@H](C)CC#N 129115136 343844336 /nfs/dbraw/zinc/84/43/36/343844336.db2.gz BDKGVHIVJQNJMV-SNVBAGLBSA-N 1 0 182.311 2.657 20 30 AFEDRO CCC(CC)C[N@H+](C)C[C@@H](C)C#N 129113275 343844376 /nfs/dbraw/zinc/84/43/76/343844376.db2.gz JFWKBJCALKDNHX-JTQLQIEISA-N 1 0 182.311 2.514 20 30 AFEDRO CCC(CC)C[N@H+](C)C[C@H](C)C#N 129113528 343844403 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/nfs/dbraw/zinc/31/37/89/346313789.db2.gz ITEJKPORNIYQPW-SDDRHHMPSA-N 1 0 196.338 2.950 20 30 AFEDRO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)C#N 308587100 346313911 /nfs/dbraw/zinc/31/39/11/346313911.db2.gz ITEJKPORNIYQPW-SRVKXCTJSA-N 1 0 196.338 2.950 20 30 AFEDRO CCCC(CCC)[NH2+]CC1(C#N)CC1 308593562 346314649 /nfs/dbraw/zinc/31/46/49/346314649.db2.gz LJAIHASBPQYWOW-UHFFFAOYSA-N 1 0 194.322 2.849 20 30 AFEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCC#N 308613582 346315101 /nfs/dbraw/zinc/31/51/01/346315101.db2.gz RGGLRMOHGBWFLE-VXGBXAGGSA-N 1 0 194.322 2.849 20 30 AFEDRO CCC(CC)[NH2+][C@H]1CCC[C@H](C#N)C1 308610882 346315114 /nfs/dbraw/zinc/31/51/14/346315114.db2.gz QQKVQSVVUCLGOT-JQWIXIFHSA-N 1 0 194.322 2.847 20 30 AFEDRO CCC(CC)[NH2+][C@H]1CCC[C@@H](C#N)C1 308610883 346315183 /nfs/dbraw/zinc/31/51/83/346315183.db2.gz QQKVQSVVUCLGOT-PWSUYJOCSA-N 1 0 194.322 2.847 20 30 AFEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCC#N 308613574 346315233 /nfs/dbraw/zinc/31/52/33/346315233.db2.gz RGGLRMOHGBWFLE-RYUDHWBXSA-N 1 0 194.322 2.849 20 30 AFEDRO CCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 308616836 346315272 /nfs/dbraw/zinc/31/52/72/346315272.db2.gz RXRBUVGNUIRDLI-NEPJUHHUSA-N 1 0 194.322 2.849 20 30 AFEDRO CCCCC[NH2+][C@H]1CCC[C@H](C#N)C1 308616840 346315303 /nfs/dbraw/zinc/31/53/03/346315303.db2.gz RXRBUVGNUIRDLI-RYUDHWBXSA-N 1 0 194.322 2.849 20 30 AFEDRO CCCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 308616841 346315347 /nfs/dbraw/zinc/31/53/47/346315347.db2.gz RXRBUVGNUIRDLI-VXGBXAGGSA-N 1 0 194.322 2.849 20 30 AFEDRO CCC(CC)[NH2+][C@@H]1CCC[C@H](C#N)C1 308610881 346315360 /nfs/dbraw/zinc/31/53/60/346315360.db2.gz QQKVQSVVUCLGOT-CMPLNLGQSA-N 1 0 194.322 2.847 20 30 AFEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC#N 308613556 346315424 /nfs/dbraw/zinc/31/54/24/346315424.db2.gz RGGLRMOHGBWFLE-NEPJUHHUSA-N 1 0 194.322 2.849 20 30 AFEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCC#N 308613564 346315447 /nfs/dbraw/zinc/31/54/47/346315447.db2.gz RGGLRMOHGBWFLE-NWDGAFQWSA-N 1 0 194.322 2.849 20 30 AFEDRO CCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 308616837 346315486 /nfs/dbraw/zinc/31/54/86/346315486.db2.gz RXRBUVGNUIRDLI-NWDGAFQWSA-N 1 0 194.322 2.849 20 30 AFEDRO CCC(CC)[NH2+][C@@H]1CCC[C@@H](C#N)C1 308610884 346315493 /nfs/dbraw/zinc/31/54/93/346315493.db2.gz QQKVQSVVUCLGOT-ZYHUDNBSSA-N 1 0 194.322 2.847 20 30 AFEDRO CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 308633411 346315768 /nfs/dbraw/zinc/31/57/68/346315768.db2.gz ZXBSZVQPAYLPOM-SDDRHHMPSA-N 1 0 194.322 2.847 20 30 AFEDRO CCC[C@H](CC)[NH2+][C@H]1CC[C@H](C#N)C1 308633413 346316021 /nfs/dbraw/zinc/31/60/21/346316021.db2.gz ZXBSZVQPAYLPOM-SRVKXCTJSA-N 1 0 194.322 2.847 20 30 AFEDRO CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](C#N)C1 308633414 346316027 /nfs/dbraw/zinc/31/60/27/346316027.db2.gz ZXBSZVQPAYLPOM-WOPDTQHZSA-N 1 0 194.322 2.847 20 30 AFEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](C)C#N 308627575 346316135 /nfs/dbraw/zinc/31/61/35/346316135.db2.gz XHAWPFKMKAZTCF-NWDGAFQWSA-N 1 0 194.322 2.871 20 30 AFEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](C)C#N 308627576 346316141 /nfs/dbraw/zinc/31/61/41/346316141.db2.gz XHAWPFKMKAZTCF-RYUDHWBXSA-N 1 0 194.322 2.871 20 30 AFEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](C)C#N 308627574 346316199 /nfs/dbraw/zinc/31/61/99/346316199.db2.gz XHAWPFKMKAZTCF-NEPJUHHUSA-N 1 0 194.322 2.871 20 30 AFEDRO CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C#N)C1 308633410 346316214 /nfs/dbraw/zinc/31/62/14/346316214.db2.gz ZXBSZVQPAYLPOM-GRYCIOLGSA-N 1 0 194.322 2.847 20 30 AFEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](C)C#N 308627577 346316229 /nfs/dbraw/zinc/31/62/29/346316229.db2.gz XHAWPFKMKAZTCF-VXGBXAGGSA-N 1 0 194.322 2.871 20 30 AFEDRO C[C@@H](CCC1CC1)[NH2+]CC(C)(C)C#N 308641442 346316746 /nfs/dbraw/zinc/31/67/46/346316746.db2.gz DYDNFAPWJZWYBS-JTQLQIEISA-N 1 0 194.322 2.704 20 30 AFEDRO C[C@@H](CC1CCCC1)[NH2+]CCCC#N 308647599 346316829 /nfs/dbraw/zinc/31/68/29/346316829.db2.gz ILPSIRLWYMDONW-NSHDSACASA-N 1 0 194.322 2.849 20 30 AFEDRO C[C@H](CC1CCCC1)[NH2+]CCCC#N 308647598 346316956 /nfs/dbraw/zinc/31/69/56/346316956.db2.gz ILPSIRLWYMDONW-LLVKDONJSA-N 1 0 194.322 2.849 20 30 AFEDRO C[C@H](CCC1CC1)[NH2+]CC(C)(C)C#N 308641443 346316997 /nfs/dbraw/zinc/31/69/97/346316997.db2.gz DYDNFAPWJZWYBS-SNVBAGLBSA-N 1 0 194.322 2.704 20 30 AFEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC#N 308661848 346317571 /nfs/dbraw/zinc/31/75/71/346317571.db2.gz QHGJXCGDWSKEDG-QWRGUYRKSA-N 1 0 194.322 2.704 20 30 AFEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCC#N 308661845 346317613 /nfs/dbraw/zinc/31/76/13/346317613.db2.gz QHGJXCGDWSKEDG-GHMZBOCLSA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 308656834 346317678 /nfs/dbraw/zinc/31/76/78/346317678.db2.gz OLGCZWQGFNVHTM-VXGBXAGGSA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 308656833 346317715 /nfs/dbraw/zinc/31/77/15/346317715.db2.gz OLGCZWQGFNVHTM-RYUDHWBXSA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 308656830 346317719 /nfs/dbraw/zinc/31/77/19/346317719.db2.gz OLGCZWQGFNVHTM-NEPJUHHUSA-N 1 0 194.322 2.704 20 30 AFEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCC#N 308661850 346317733 /nfs/dbraw/zinc/31/77/33/346317733.db2.gz QHGJXCGDWSKEDG-WDEREUQCSA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 308656831 346317812 /nfs/dbraw/zinc/31/78/12/346317812.db2.gz OLGCZWQGFNVHTM-NWDGAFQWSA-N 1 0 194.322 2.704 20 30 AFEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC#N 308661847 346317814 /nfs/dbraw/zinc/31/78/14/346317814.db2.gz QHGJXCGDWSKEDG-MNOVXSKESA-N 1 0 194.322 2.704 20 30 AFEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCCC#N 308708866 346318312 /nfs/dbraw/zinc/31/83/12/346318312.db2.gz LDHASPROXJLSAL-NEPJUHHUSA-N 1 0 194.322 2.849 20 30 AFEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCCC#N 308708867 346318427 /nfs/dbraw/zinc/31/84/27/346318427.db2.gz LDHASPROXJLSAL-NWDGAFQWSA-N 1 0 194.322 2.849 20 30 AFEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCC#N 308708870 346318430 /nfs/dbraw/zinc/31/84/30/346318430.db2.gz LDHASPROXJLSAL-VXGBXAGGSA-N 1 0 194.322 2.849 20 30 AFEDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCCC#N 308708869 346318466 /nfs/dbraw/zinc/31/84/66/346318466.db2.gz LDHASPROXJLSAL-RYUDHWBXSA-N 1 0 194.322 2.849 20 30 AFEDRO C=CCC[C@@H](CC)[NH2+]CC1(C#N)CC1 308744524 346318951 /nfs/dbraw/zinc/31/89/51/346318951.db2.gz QRRLCXPDLLVNTA-LLVKDONJSA-N 1 0 192.306 2.625 20 30 AFEDRO CC(C)(C[NH2+]CCC#N)C1=CCCC1 308764690 346319251 /nfs/dbraw/zinc/31/92/51/346319251.db2.gz FPTPUSXYPQWITO-UHFFFAOYSA-N 1 0 192.306 2.626 20 30 AFEDRO C=C(CC)C[NH2+]CC(C)(C)CCC#N 313488771 346320803 /nfs/dbraw/zinc/32/08/03/346320803.db2.gz ARWLBFIPEYBRPQ-UHFFFAOYSA-N 1 0 194.322 2.872 20 30 AFEDRO CCC[C@H]([NH2+]CCC#N)C1CCCC1 313384745 346320934 /nfs/dbraw/zinc/32/09/34/346320934.db2.gz GJPIMCZQRHWLKM-LBPRGKRZSA-N 1 0 194.322 2.849 20 30 AFEDRO CCC[C@@H]([NH2+]CCC#N)C1CCCC1 313384743 346321070 /nfs/dbraw/zinc/32/10/70/346321070.db2.gz GJPIMCZQRHWLKM-GFCCVEGCSA-N 1 0 194.322 2.849 20 30 AFEDRO CC(C)(CC#N)C[NH2+]C1CCCCC1 316252710 346321951 /nfs/dbraw/zinc/32/19/51/346321951.db2.gz QXXOCRWKXPIIPG-UHFFFAOYSA-N 1 0 194.322 2.849 20 30 AFEDRO CCC(CC)[NH2+]CC(C)(C)CC#N 316105237 346321645 /nfs/dbraw/zinc/32/16/45/346321645.db2.gz BWILBEVHRYDYJI-UHFFFAOYSA-N 1 0 182.311 2.704 20 30 AFEDRO CC(C)C[C@H](C)[NH2+]CC(C)(C)CC#N 316107889 346321694 /nfs/dbraw/zinc/32/16/94/346321694.db2.gz NGMKQTOVOBCTDW-NSHDSACASA-N 1 0 196.338 2.950 20 30 AFEDRO CCC[C@H](C)[NH2+]CC(C)(C)CC#N 316215786 346321873 /nfs/dbraw/zinc/32/18/73/346321873.db2.gz NWAAXTAUSCQJSL-JTQLQIEISA-N 1 0 182.311 2.704 20 30 AFEDRO CCC[C@@H](C)[NH2+]CC(C)(C)CC#N 316215788 346321885 /nfs/dbraw/zinc/32/18/85/346321885.db2.gz NWAAXTAUSCQJSL-SNVBAGLBSA-N 1 0 182.311 2.704 20 30 AFEDRO CC(C)C[C@@H](C)[NH2+]CC(C)(C)CC#N 316107886 346322101 /nfs/dbraw/zinc/32/21/01/346322101.db2.gz NGMKQTOVOBCTDW-LLVKDONJSA-N 1 0 196.338 2.950 20 30 AFEDRO CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CC#N 320214493 346322364 /nfs/dbraw/zinc/32/23/64/346322364.db2.gz SJHLSCNZBKVBEL-MNOVXSKESA-N 1 0 196.338 2.950 20 30 AFEDRO CC[C@H](C)[C@@H](C)[N@H+](CCC#N)C1CC1 320083537 346322370 /nfs/dbraw/zinc/32/23/70/346322370.db2.gz TZYLDMPOLMWWPC-WDEREUQCSA-N 1 0 194.322 2.799 20 30 AFEDRO CC[C@H](C)[C@H](C)[N@H+](CCC#N)C1CC1 320083535 346322380 /nfs/dbraw/zinc/32/23/80/346322380.db2.gz TZYLDMPOLMWWPC-QWRGUYRKSA-N 1 0 194.322 2.799 20 30 AFEDRO CC[C@H]([NH2+]CC(C)(C)C#N)[C@H]1C[C@@H]1C 321094602 346322390 /nfs/dbraw/zinc/32/23/90/346322390.db2.gz NXSNEUPNPFTIOP-DCAQKATOSA-N 1 0 194.322 2.560 20 30 AFEDRO CC(C)[C@H](C)[NH2+]CC(C)(C)CC#N 319811249 346322451 /nfs/dbraw/zinc/32/24/51/346322451.db2.gz PIMVNBDAAAPCRT-JTQLQIEISA-N 1 0 182.311 2.560 20 30 AFEDRO CC[C@H]([NH2+]CC(C)(C)C#N)[C@H]1C[C@H]1C 321094605 346322499 /nfs/dbraw/zinc/32/24/99/346322499.db2.gz NXSNEUPNPFTIOP-VWYCJHECSA-N 1 0 194.322 2.560 20 30 AFEDRO CC[C@@H](C)[C@H](C)[N@H+](CCC#N)C1CC1 320083534 346322507 /nfs/dbraw/zinc/32/25/07/346322507.db2.gz TZYLDMPOLMWWPC-MNOVXSKESA-N 1 0 194.322 2.799 20 30 AFEDRO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CC#N 320214495 346322607 /nfs/dbraw/zinc/32/26/07/346322607.db2.gz SJHLSCNZBKVBEL-WDEREUQCSA-N 1 0 196.338 2.950 20 30 AFEDRO CC[C@@H](C)[C@@H](C)[N@H+](CCC#N)C1CC1 320083533 346322848 /nfs/dbraw/zinc/32/28/48/346322848.db2.gz TZYLDMPOLMWWPC-GHMZBOCLSA-N 1 0 194.322 2.799 20 30 AFEDRO CC(C)[C@@H](C)[NH2+]CC(C)(C)CC#N 319811250 346322858 /nfs/dbraw/zinc/32/28/58/346322858.db2.gz PIMVNBDAAAPCRT-SNVBAGLBSA-N 1 0 182.311 2.560 20 30 AFEDRO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CC#N 320214494 346322877 /nfs/dbraw/zinc/32/28/77/346322877.db2.gz SJHLSCNZBKVBEL-QWRGUYRKSA-N 1 0 196.338 2.950 20 30 AFEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CC#N 320214492 346322966 /nfs/dbraw/zinc/32/29/66/346322966.db2.gz SJHLSCNZBKVBEL-GHMZBOCLSA-N 1 0 196.338 2.950 20 30 AFEDRO CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1C[C@@H]1C 321094600 346322982 /nfs/dbraw/zinc/32/29/82/346322982.db2.gz NXSNEUPNPFTIOP-AXFHLTTASA-N 1 0 194.322 2.560 20 30 AFEDRO CCC[C@H]([NH2+]C[C@@H](C)C#N)C1CCC1 322371777 346323273 /nfs/dbraw/zinc/32/32/73/346323273.db2.gz JOAFMIJVQVXTIE-JQWIXIFHSA-N 1 0 194.322 2.704 20 30 AFEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)C1CC1 323681461 346323281 /nfs/dbraw/zinc/32/32/81/346323281.db2.gz DZPGASWZLIGNQF-NSHDSACASA-N 1 0 194.322 2.704 20 30 AFEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)C1CC1 323681460 346323323 /nfs/dbraw/zinc/32/33/23/346323323.db2.gz DZPGASWZLIGNQF-LLVKDONJSA-N 1 0 194.322 2.704 20 30 AFEDRO CCC[C@H]([NH2+]C[C@H](C)C#N)C1CCC1 322371781 346323465 /nfs/dbraw/zinc/32/34/65/346323465.db2.gz JOAFMIJVQVXTIE-PWSUYJOCSA-N 1 0 194.322 2.704 20 30 AFEDRO CCC[C@@H]([NH2+]C[C@H](C)C#N)C1CCC1 322371782 346323608 /nfs/dbraw/zinc/32/36/08/346323608.db2.gz JOAFMIJVQVXTIE-ZYHUDNBSSA-N 1 0 194.322 2.704 20 30 AFEDRO CC[C@@H](CC#N)[NH2+][C@@H](CC)C1CCC1 322401394 346323646 /nfs/dbraw/zinc/32/36/46/346323646.db2.gz SBVRUSLGJHNXPV-RYUDHWBXSA-N 1 0 194.322 2.847 20 30 AFEDRO CCC[C@@H]([NH2+]C[C@@H](C)C#N)C1CCC1 322371774 346323680 /nfs/dbraw/zinc/32/36/80/346323680.db2.gz JOAFMIJVQVXTIE-CMPLNLGQSA-N 1 0 194.322 2.704 20 30 AFEDRO CC[C@H]([NH2+][C@H](CC)CC#N)C1CCC1 322401392 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C=CC[N@H+]1CCCC[C@H](SCC)C1 379412379 346521573 /nfs/dbraw/zinc/52/15/73/346521573.db2.gz JZVIUFLGRWACAN-NSHDSACASA-N 1 0 199.363 2.780 20 30 AFEDRO C=CC[N@H+]1CCCC[C@@H](SCC)C1 379412378 346521605 /nfs/dbraw/zinc/52/16/05/346521605.db2.gz JZVIUFLGRWACAN-LLVKDONJSA-N 1 0 199.363 2.780 20 30 AFEDRO C=CC1CC[NH+](CCC(C)C)CC1 379414620 346522471 /nfs/dbraw/zinc/52/24/71/346522471.db2.gz OIQZBGDWEBPFOH-UHFFFAOYSA-N 1 0 181.323 2.931 20 30 AFEDRO C[C@H](C[NH2+]CC(C)(C)C#N)C(C)(C)C 379508034 346524202 /nfs/dbraw/zinc/52/42/02/346524202.db2.gz NWRPXRMTHJHXIJ-SNVBAGLBSA-N 1 0 196.338 2.808 20 30 AFEDRO C[C@@H](C[NH2+]CC(C)(C)C#N)C(C)(C)C 379508032 346524382 /nfs/dbraw/zinc/52/43/82/346524382.db2.gz NWRPXRMTHJHXIJ-JTQLQIEISA-N 1 0 196.338 2.808 20 30 AFEDRO CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 379584402 346525657 /nfs/dbraw/zinc/52/56/57/346525657.db2.gz OHBPWLORZHZOGX-TUAOUCFPSA-N 1 0 194.322 2.847 20 30 AFEDRO CCC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 379584401 346525766 /nfs/dbraw/zinc/52/57/66/346525766.db2.gz OHBPWLORZHZOGX-SRVKXCTJSA-N 1 0 194.322 2.847 20 30 AFEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 379572032 346525778 /nfs/dbraw/zinc/52/57/78/346525778.db2.gz GHMSLBDDMQZOPX-SDDRHHMPSA-N 1 0 192.306 2.623 20 30 AFEDRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 379584400 346525799 /nfs/dbraw/zinc/52/57/99/346525799.db2.gz OHBPWLORZHZOGX-SDDRHHMPSA-N 1 0 194.322 2.847 20 30 AFEDRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 379584399 346525877 /nfs/dbraw/zinc/52/58/77/346525877.db2.gz OHBPWLORZHZOGX-QJPTWQEYSA-N 1 0 194.322 2.847 20 30 AFEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@H](C)C#N 379597600 346526346 /nfs/dbraw/zinc/52/63/46/346526346.db2.gz GOTNHCFGGLPVIG-UTUOFQBUSA-N 1 0 194.322 2.560 20 30 AFEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C#N 379597598 346526357 /nfs/dbraw/zinc/52/63/57/346526357.db2.gz GOTNHCFGGLPVIG-GRYCIOLGSA-N 1 0 194.322 2.560 20 30 AFEDRO CCC(CC)C[NH2+][C@H]1CC[C@@H](C#N)C1 379598379 346526392 /nfs/dbraw/zinc/52/63/92/346526392.db2.gz HHOJMMZRMCBCBR-NEPJUHHUSA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@H](C)C#N 379597599 346526401 /nfs/dbraw/zinc/52/64/01/346526401.db2.gz GOTNHCFGGLPVIG-IJLUTSLNSA-N 1 0 194.322 2.560 20 30 AFEDRO CCC(CC)C[NH2+][C@@H]1CC[C@H](C#N)C1 379598381 346526429 /nfs/dbraw/zinc/52/64/29/346526429.db2.gz HHOJMMZRMCBCBR-NWDGAFQWSA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)C[C@@H](C)C[NH2+]CC1(C#N)CC1 379596533 346526593 /nfs/dbraw/zinc/52/65/93/346526593.db2.gz FRCIVNNHEMPFCT-LLVKDONJSA-N 1 0 194.322 2.562 20 30 AFEDRO CCC(CC)C[NH2+][C@H]1CC[C@H](C#N)C1 379598382 346526608 /nfs/dbraw/zinc/52/66/08/346526608.db2.gz HHOJMMZRMCBCBR-RYUDHWBXSA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C#N 379597601 346526848 /nfs/dbraw/zinc/52/68/48/346526848.db2.gz GOTNHCFGGLPVIG-WOPDTQHZSA-N 1 0 194.322 2.560 20 30 AFEDRO CCC(CC)C[NH2+][C@@H]1CC[C@@H](C#N)C1 379598383 346526856 /nfs/dbraw/zinc/52/68/56/346526856.db2.gz HHOJMMZRMCBCBR-VXGBXAGGSA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)C[C@H](C)C[NH2+]CC1(C#N)CC1 379596534 346526860 /nfs/dbraw/zinc/52/68/60/346526860.db2.gz FRCIVNNHEMPFCT-NSHDSACASA-N 1 0 194.322 2.562 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 379620730 346527119 /nfs/dbraw/zinc/52/71/19/346527119.db2.gz FBHYOFVMGBUNSF-SDDRHHMPSA-N 1 0 192.306 2.623 20 30 AFEDRO CC(C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 379601479 346527204 /nfs/dbraw/zinc/52/72/04/346527204.db2.gz LUALKWRPEYAMQO-VXGBXAGGSA-N 1 0 194.322 2.704 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 379620732 346527206 /nfs/dbraw/zinc/52/72/06/346527206.db2.gz FBHYOFVMGBUNSF-TUAOUCFPSA-N 1 0 192.306 2.623 20 30 AFEDRO CC(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 379601477 346527264 /nfs/dbraw/zinc/52/72/64/346527264.db2.gz LUALKWRPEYAMQO-NWDGAFQWSA-N 1 0 194.322 2.704 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 379620729 346527314 /nfs/dbraw/zinc/52/73/14/346527314.db2.gz FBHYOFVMGBUNSF-QJPTWQEYSA-N 1 0 192.306 2.623 20 30 AFEDRO CC(C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 379601476 346527402 /nfs/dbraw/zinc/52/74/02/346527402.db2.gz LUALKWRPEYAMQO-NEPJUHHUSA-N 1 0 194.322 2.704 20 30 AFEDRO N#CCCC[NH2+]CC1CCCCCC1 379600627 346527417 /nfs/dbraw/zinc/52/74/17/346527417.db2.gz LBKCVJDDBGROFY-UHFFFAOYSA-N 1 0 194.322 2.850 20 30 AFEDRO CC(C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 379601478 346527440 /nfs/dbraw/zinc/52/74/40/346527440.db2.gz LUALKWRPEYAMQO-RYUDHWBXSA-N 1 0 194.322 2.704 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 379620731 346527473 /nfs/dbraw/zinc/52/74/73/346527473.db2.gz FBHYOFVMGBUNSF-SRVKXCTJSA-N 1 0 192.306 2.623 20 30 AFEDRO C[C@@H](C#N)C[NH2+][C@H](C)CC1CCCC1 379647869 346527957 /nfs/dbraw/zinc/52/79/57/346527957.db2.gz BCVOVTKEHZRHSJ-WDEREUQCSA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCCC#N 379634845 346527997 /nfs/dbraw/zinc/52/79/97/346527997.db2.gz QGWRAGGBWKQWRM-NEPJUHHUSA-N 1 0 194.322 2.704 20 30 AFEDRO C[C@@H](C[NH2+]CCC#N)C1CCCCC1 379622707 346528036 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MHYFRXQENONFHY-UHFFFAOYSA-N 1 0 194.322 2.849 20 30 AFEDRO C=CC[C@H](CC)[NH2+][C@H]1CC[C@H](C#N)C1 379663735 346528679 /nfs/dbraw/zinc/52/86/79/346528679.db2.gz TUZBKABQFABZKM-SRVKXCTJSA-N 1 0 192.306 2.623 20 30 AFEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C#N)C1 379663730 346528681 /nfs/dbraw/zinc/52/86/81/346528681.db2.gz TUZBKABQFABZKM-GRYCIOLGSA-N 1 0 192.306 2.623 20 30 AFEDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 381562465 346529687 /nfs/dbraw/zinc/52/96/87/346529687.db2.gz SNSPMMRBDJAXID-YFKTTZPYSA-N 1 0 194.322 2.703 20 30 AFEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 381562461 346529754 /nfs/dbraw/zinc/52/97/54/346529754.db2.gz SNSPMMRBDJAXID-FIQHERPVSA-N 1 0 194.322 2.703 20 30 AFEDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 381562457 346529820 /nfs/dbraw/zinc/52/98/20/346529820.db2.gz SNSPMMRBDJAXID-BJDJZHNGSA-N 1 0 194.322 2.703 20 30 AFEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 381562463 346529934 /nfs/dbraw/zinc/52/99/34/346529934.db2.gz SNSPMMRBDJAXID-NNYUYHANSA-N 1 0 194.322 2.703 20 30 AFEDRO C=CCCC[N@H+]1CCS[C@H](C)[C@@H]1C 381848135 346530556 /nfs/dbraw/zinc/53/05/56/346530556.db2.gz IUVLZYZJZVAKSZ-WDEREUQCSA-N 1 0 199.363 2.778 20 30 AFEDRO C=CCCC[N@H+]1CCS[C@@H](C)[C@H]1C 381848111 346530656 /nfs/dbraw/zinc/53/06/56/346530656.db2.gz IUVLZYZJZVAKSZ-MNOVXSKESA-N 1 0 199.363 2.778 20 30 AFEDRO C=CCCC[N@H+]1CCS[C@@H](C)[C@@H]1C 381848126 346530766 /nfs/dbraw/zinc/53/07/66/346530766.db2.gz IUVLZYZJZVAKSZ-QWRGUYRKSA-N 1 0 199.363 2.778 20 30 AFEDRO C=CCCC[N@H+]1CCS[C@H](C)[C@H]1C 381848110 346530776 /nfs/dbraw/zinc/53/07/76/346530776.db2.gz IUVLZYZJZVAKSZ-GHMZBOCLSA-N 1 0 199.363 2.778 20 30 AFEDRO CCC1([NH2+]CCCCC#N)CCCC1 382587411 346535347 /nfs/dbraw/zinc/53/53/47/346535347.db2.gz XWQVOVFNJOZKDY-UHFFFAOYSA-N 1 0 194.322 2.993 20 30 AFEDRO CC[C@H]([NH2+]CCCC#N)C1CCCC1 382773556 346535498 /nfs/dbraw/zinc/53/54/98/346535498.db2.gz NIVRHSQNFIIJES-LBPRGKRZSA-N 1 0 194.322 2.849 20 30 AFEDRO CC/C=C\C[NH2+]CC(C)(C)CCC#N 384894807 346540738 /nfs/dbraw/zinc/54/07/38/346540738.db2.gz LVEKFAUAZFMRCG-WAYWQWQTSA-N 1 0 194.322 2.872 20 30 AFEDRO CC/C=C/C[NH2+]CC(C)(C)CCC#N 384894806 346540871 /nfs/dbraw/zinc/54/08/71/346540871.db2.gz LVEKFAUAZFMRCG-AATRIKPKSA-N 1 0 194.322 2.872 20 30 AFEDRO C=CC(C)(C)C[NH2+]CC1(SC)CC1 384930850 346541727 /nfs/dbraw/zinc/54/17/27/346541727.db2.gz IIHGJDMEYSIWBO-UHFFFAOYSA-N 1 0 199.363 2.684 20 30 AFEDRO CC[N@H+](CCCCC#N)CCC1CC1 385948291 346544526 /nfs/dbraw/zinc/54/45/26/346544526.db2.gz SXVCCPNKWNICLA-UHFFFAOYSA-N 1 0 194.322 2.802 20 30 AFEDRO C=CCC[N@@H+](C)[C@H](C)C(C)C 388099330 346546461 /nfs/dbraw/zinc/54/64/61/346546461.db2.gz RTTGRXBIGRQBFH-SNVBAGLBSA-N 1 0 155.285 2.539 20 30 AFEDRO C=CCC[N@@H+](C)[C@@H](C)C(C)C 388099329 346546547 /nfs/dbraw/zinc/54/65/47/346546547.db2.gz RTTGRXBIGRQBFH-JTQLQIEISA-N 1 0 155.285 2.539 20 30 AFEDRO C=CCCC[N@@H+](C)CCCC 388103138 346546730 /nfs/dbraw/zinc/54/67/30/346546730.db2.gz UYJRDBNKQQCUOI-UHFFFAOYSA-N 1 0 155.285 2.685 20 30 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FKXDWEPAUANZFH-MNOVXSKESA-N 1 0 199.363 2.826 20 30 AFEDRO C=CCC[N@@H+](C)Cc1ccc(C)o1 388589843 346559646 /nfs/dbraw/zinc/55/96/46/346559646.db2.gz KUIQKICXFNIGPO-UHFFFAOYSA-N 1 0 179.263 2.596 20 30 AFEDRO CC(C)C([NH2+]CCCC#N)C(C)C 388625721 346562125 /nfs/dbraw/zinc/56/21/25/346562125.db2.gz JAHLIDKJDHASEW-UHFFFAOYSA-N 1 0 182.311 2.560 20 30 AFEDRO C=CC[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 388627523 346562314 /nfs/dbraw/zinc/56/23/14/346562314.db2.gz JOFLZPFNPFYHJH-MNOVXSKESA-N 1 0 199.363 2.778 20 30 AFEDRO C=CC[N@@H+](C)[C@H]1CC[C@@H](SCC)C1 388627525 346562344 /nfs/dbraw/zinc/56/23/44/346562344.db2.gz JOFLZPFNPFYHJH-WDEREUQCSA-N 1 0 199.363 2.778 20 30 AFEDRO C=CC[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1 388627521 346562368 /nfs/dbraw/zinc/56/23/68/346562368.db2.gz JOFLZPFNPFYHJH-GHMZBOCLSA-N 1 0 199.363 2.778 20 30 AFEDRO C=CC[N@@H+](C)[C@H]1CC[C@H](SCC)C1 388627524 346562421 /nfs/dbraw/zinc/56/24/21/346562421.db2.gz JOFLZPFNPFYHJH-QWRGUYRKSA-N 1 0 199.363 2.778 20 30 AFEDRO 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49578397 409371217 /nfs/dbraw/zinc/37/12/17/409371217.db2.gz LDCINABVDRSHLQ-NWDGAFQWSA-N 1 0 194.322 2.849 20 30 AFEDRO CC(C)CCC[NH2+]CCCCC#N 49578476 409372055 /nfs/dbraw/zinc/37/20/55/409372055.db2.gz YESAMVUVXVUTCA-UHFFFAOYSA-N 1 0 182.311 2.706 20 30 AFEDRO CC[C@H]([NH2+]CCCCC#N)C(C)C 49578540 409372070 /nfs/dbraw/zinc/37/20/70/409372070.db2.gz STDVYPJKRFOLMR-NSHDSACASA-N 1 0 182.311 2.704 20 30 AFEDRO CC[C@H](C)[C@H](C)[NH2+]CCCCC#N 49578523 409372119 /nfs/dbraw/zinc/37/21/19/409372119.db2.gz QWWOVGVXRYPMRY-QWRGUYRKSA-N 1 0 182.311 2.704 20 30 AFEDRO CC[C@@H](C)[C@@H](C)[NH2+]CCCCC#N 49578519 409372125 /nfs/dbraw/zinc/37/21/25/409372125.db2.gz QWWOVGVXRYPMRY-GHMZBOCLSA-N 1 0 182.311 2.704 20 30 AFEDRO C[C@@H]1CCC[C@H]([NH2+]CCCCC#N)C1 49578394 409372133 /nfs/dbraw/zinc/37/21/33/409372133.db2.gz LDCINABVDRSHLQ-NEPJUHHUSA-N 1 0 194.322 2.849 20 30 AFEDRO C[C@H]1CCC[C@H]([NH2+]CCCCC#N)C1 49578395 409372985 /nfs/dbraw/zinc/37/29/85/409372985.db2.gz LDCINABVDRSHLQ-RYUDHWBXSA-N 1 0 194.322 2.849 20 30 AFEDRO CC[C@@H](C)[C@H](C)[NH2+]CCCCC#N 49578522 409373054 /nfs/dbraw/zinc/37/30/54/409373054.db2.gz QWWOVGVXRYPMRY-MNOVXSKESA-N 1 0 182.311 2.704 20 30 AFEDRO C[C@@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 49578396 409373549 /nfs/dbraw/zinc/37/35/49/409373549.db2.gz LDCINABVDRSHLQ-VXGBXAGGSA-N 1 0 194.322 2.849 20 30 AFEDRO CC[C@H](C)[C@@H](C)[NH2+]CCCCC#N 49578521 409373801 /nfs/dbraw/zinc/37/38/01/409373801.db2.gz QWWOVGVXRYPMRY-WDEREUQCSA-N 1 0 182.311 2.704 20 30 AFEDRO CC#CCC[N@@H+](CCC)C(C)C 653798675 409379331 /nfs/dbraw/zinc/37/93/31/409379331.db2.gz KPNYWARRWFIDLG-UHFFFAOYSA-N 1 0 167.296 2.520 20 30 AFEDRO C=C(C)C[N@@H+](CCC)C(C)C 653797409 409381030 /nfs/dbraw/zinc/38/10/30/409381030.db2.gz KESQMXSAFWHQOC-UHFFFAOYSA-N 1 0 155.285 2.683 20 30 AFEDRO C=CCC[NH2+]Cc1ccc(C)cc1 70591439 409426791 /nfs/dbraw/zinc/42/67/91/409426791.db2.gz IILOJDMSYPBBSW-UHFFFAOYSA-N 1 0 175.275 2.661 20 30 AFEDRO C=CCC[NH2+]C1CCCCCC1 70591540 409427193 /nfs/dbraw/zinc/42/71/93/409427193.db2.gz NPUIPSCBOKOCKH-UHFFFAOYSA-N 1 0 167.296 2.875 20 30 AFEDRO C=CCC[NH2+]CCCC(C)C 70591804 409427460 /nfs/dbraw/zinc/42/74/60/409427460.db2.gz XWWHTNNYIKZLOL-UHFFFAOYSA-N 1 0 155.285 2.588 20 30 AFEDRO C=CCC[NH2+]Cc1cccc(C)c1 70591713 409427747 /nfs/dbraw/zinc/42/77/47/409427747.db2.gz SSCIBKNRWOCNIB-UHFFFAOYSA-N 1 0 175.275 2.661 20 30 AFEDRO C=CCC[NH2+]CC1CCCCC1 70591568 409427820 /nfs/dbraw/zinc/42/78/20/409427820.db2.gz JTWHTMVOXRLLEY-UHFFFAOYSA-N 1 0 167.296 2.732 20 30 AFEDRO C=CCC[NH2+][C@H]1CCC[C@H](C)C1 70591559 409427902 /nfs/dbraw/zinc/42/79/02/409427902.db2.gz XSIUOPKVJFTTTM-QWRGUYRKSA-N 1 0 167.296 2.731 20 30 AFEDRO C=CCC[NH2+][C@H](CC)C(C)C 70591918 409427969 /nfs/dbraw/zinc/42/79/69/409427969.db2.gz QSMUYGAGCWELFH-SNVBAGLBSA-N 1 0 155.285 2.587 20 30 AFEDRO C=CCC[NH2+][C@@H]1CCC[C@@H](C)C1 70591560 409427981 /nfs/dbraw/zinc/42/79/81/409427981.db2.gz XSIUOPKVJFTTTM-GHMZBOCLSA-N 1 0 167.296 2.731 20 30 AFEDRO C=CCC[NH2+][C@H]1CCc2ccccc21 70591682 409427987 /nfs/dbraw/zinc/42/79/87/409427987.db2.gz GWHFFGPVKDQXOL-ZDUSSCGKSA-N 1 0 187.286 2.840 20 30 AFEDRO C=CCC[NH2+][C@@H]1CCC[C@H](C)C1 70591561 409428027 /nfs/dbraw/zinc/42/80/27/409428027.db2.gz XSIUOPKVJFTTTM-WDEREUQCSA-N 1 0 167.296 2.731 20 30 AFEDRO C=CCC[NH2+]Cc1ccccc1C 70591711 409428541 /nfs/dbraw/zinc/42/85/41/409428541.db2.gz JRZDSNDXPYPXKS-UHFFFAOYSA-N 1 0 175.275 2.661 20 30 AFEDRO C=CCC[NH2+][C@H]1CCC[C@@H](C)C1 70591558 409428692 /nfs/dbraw/zinc/42/86/92/409428692.db2.gz XSIUOPKVJFTTTM-MNOVXSKESA-N 1 0 167.296 2.731 20 30 AFEDRO C=CCC[NH2+][C@@H]1CCc2ccccc21 70591681 409428804 /nfs/dbraw/zinc/42/88/04/409428804.db2.gz GWHFFGPVKDQXOL-CYBMUJFWSA-N 1 0 187.286 2.840 20 30 AFEDRO C=CCC[NH2+][C@@H](CC)C(C)C 70591917 409428972 /nfs/dbraw/zinc/42/89/72/409428972.db2.gz QSMUYGAGCWELFH-JTQLQIEISA-N 1 0 155.285 2.587 20 30 AFEDRO C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1C 70592076 409429909 /nfs/dbraw/zinc/42/99/09/409429909.db2.gz WOCUQVIMLJZGLT-RYUDHWBXSA-N 1 0 181.323 2.978 20 30 AFEDRO C=CCC[NH2+]C[C@H]1CCCC[C@@H]1C 70592074 409429932 /nfs/dbraw/zinc/42/99/32/409429932.db2.gz WOCUQVIMLJZGLT-NWDGAFQWSA-N 1 0 181.323 2.978 20 30 AFEDRO C=CCC[NH2+][C@@H](C)Cc1cccs1 70592409 409429942 /nfs/dbraw/zinc/42/99/42/409429942.db2.gz FJFDUJGQFDTNTJ-JTQLQIEISA-N 1 0 195.331 2.845 20 30 AFEDRO C=CCC[NH2+]Cc1ccc(F)c(F)c1 70592067 409430161 /nfs/dbraw/zinc/43/01/61/409430161.db2.gz HPRYRZLWVPNHBT-UHFFFAOYSA-N 1 0 197.228 2.631 20 30 AFEDRO C=CCC[NH2+][C@@H](C)CCc1ccco1 70592053 409430341 /nfs/dbraw/zinc/43/03/41/409430341.db2.gz QPXHEZKDJGYWBV-NSHDSACASA-N 1 0 193.290 2.766 20 30 AFEDRO C=CCC[NH2+][C@H](C)CCc1ccco1 70592054 409430485 /nfs/dbraw/zinc/43/04/85/409430485.db2.gz QPXHEZKDJGYWBV-LLVKDONJSA-N 1 0 193.290 2.766 20 30 AFEDRO C=CCC[NH2+]Cc1ccc(C)s1 70592199 409430514 /nfs/dbraw/zinc/43/05/14/409430514.db2.gz SNSULRUKNLDWAD-UHFFFAOYSA-N 1 0 181.304 2.722 20 30 AFEDRO C=CCC[NH2+]Cc1cc(F)ccc1F 70592445 409430538 /nfs/dbraw/zinc/43/05/38/409430538.db2.gz IFKMZTLFQKCNJW-UHFFFAOYSA-N 1 0 197.228 2.631 20 30 AFEDRO C=CCC[NH2+][C@H](C)CCC(C)C 70592467 409430602 /nfs/dbraw/zinc/43/06/02/409430602.db2.gz NRDOHDAWSHPSSS-LLVKDONJSA-N 1 0 169.312 2.977 20 30 AFEDRO C=CCC[NH2+]C[C@@H]1CCCC[C@H]1C 70592075 409430940 /nfs/dbraw/zinc/43/09/40/409430940.db2.gz WOCUQVIMLJZGLT-NEPJUHHUSA-N 1 0 181.323 2.978 20 30 AFEDRO C=CCC[NH2+][C@@H](C)CCC(C)C 70592468 409431034 /nfs/dbraw/zinc/43/10/34/409431034.db2.gz NRDOHDAWSHPSSS-NSHDSACASA-N 1 0 169.312 2.977 20 30 AFEDRO C=CCC[NH2+]Cc1ccc(F)cc1F 70592231 409431053 /nfs/dbraw/zinc/43/10/53/409431053.db2.gz QWLYUUPXCRGVDH-UHFFFAOYSA-N 1 0 197.228 2.631 20 30 AFEDRO C=CCC[NH2+]C[C@@H]1CC=CCC1 70592180 409431132 /nfs/dbraw/zinc/43/11/32/409431132.db2.gz KEEYTZGYCFJAIM-LLVKDONJSA-N 1 0 165.280 2.508 20 30 AFEDRO C=CCC[NH2+]C[C@H]1CC=CCC1 70592179 409431137 /nfs/dbraw/zinc/43/11/37/409431137.db2.gz KEEYTZGYCFJAIM-NSHDSACASA-N 1 0 165.280 2.508 20 30 AFEDRO C=CCC[NH2+][C@H](C)Cc1ccsc1 70591936 409431408 /nfs/dbraw/zinc/43/14/08/409431408.db2.gz WBHFAPNJXPLQIR-SNVBAGLBSA-N 1 0 195.331 2.845 20 30 AFEDRO C=CCC[NH2+]C[C@H]1CCCC[C@H]1C 70592073 409431744 /nfs/dbraw/zinc/43/17/44/409431744.db2.gz WOCUQVIMLJZGLT-VXGBXAGGSA-N 1 0 181.323 2.978 20 30 AFEDRO C=CCC[NH2+][C@@H](C)Cc1ccsc1 70591935 409431775 /nfs/dbraw/zinc/43/17/75/409431775.db2.gz WBHFAPNJXPLQIR-JTQLQIEISA-N 1 0 195.331 2.845 20 30 AFEDRO C=CC[C@@H](C)[NH2+]C1CC2(CCC2)C1 656500585 409437219 /nfs/dbraw/zinc/43/72/19/409437219.db2.gz VCZDOAWVXVGNOZ-SNVBAGLBSA-N 1 0 179.307 2.873 20 30 AFEDRO C=CC[C@H](C)[NH2+]C1CC2(CCC2)C1 656500584 409438078 /nfs/dbraw/zinc/43/80/78/409438078.db2.gz VCZDOAWVXVGNOZ-JTQLQIEISA-N 1 0 179.307 2.873 20 30 AFEDRO C=CCC[C@@H](CC)[NH2+]CC(F)F 656610262 409443054 /nfs/dbraw/zinc/44/30/54/409443054.db2.gz OXPDJRWYQRBCEK-MRVPVSSYSA-N 1 0 177.238 2.586 20 30 AFEDRO C=CCC[C@H](CCC)[NH2+]CC(F)F 656610238 409443176 /nfs/dbraw/zinc/44/31/76/409443176.db2.gz DHCGYPPYJBULFG-VIFPVBQESA-N 1 0 191.265 2.976 20 30 AFEDRO C=CCCCC[C@@H](C)[NH2+]CC(F)F 656610055 409443212 /nfs/dbraw/zinc/44/32/12/409443212.db2.gz DWIDMDLKRGQGDZ-SECBINFHSA-N 1 0 191.265 2.976 20 30 AFEDRO C=CCCCC[C@H](C)[NH2+]CC(F)F 656610056 409443419 /nfs/dbraw/zinc/44/34/19/409443419.db2.gz DWIDMDLKRGQGDZ-VIFPVBQESA-N 1 0 191.265 2.976 20 30 AFEDRO C=CCC[C@H](CC)[NH2+]CC(F)F 656610263 409443469 /nfs/dbraw/zinc/44/34/69/409443469.db2.gz OXPDJRWYQRBCEK-QMMMGPOBSA-N 1 0 177.238 2.586 20 30 AFEDRO C=CCCC[NH2+]C1CC2(CCC2)C1 656581495 409443494 /nfs/dbraw/zinc/44/34/94/409443494.db2.gz XKSNGDFNPATBSQ-UHFFFAOYSA-N 1 0 179.307 2.875 20 30 AFEDRO C=CCC[C@@H](CCC)[NH2+]CC(F)F 656610237 409443672 /nfs/dbraw/zinc/44/36/72/409443672.db2.gz DHCGYPPYJBULFG-SECBINFHSA-N 1 0 191.265 2.976 20 30 AFEDRO C=C(C)CC[NH2+]C1CC2(CCC2)C1 656635593 409444299 /nfs/dbraw/zinc/44/42/99/409444299.db2.gz NTFDJQFSSGVOSD-UHFFFAOYSA-N 1 0 179.307 2.875 20 30 AFEDRO CC#CCC[N@H+](C)C1CC(C)(C)C1 657245081 409460514 /nfs/dbraw/zinc/46/05/14/409460514.db2.gz LHQMUXANDUTXFH-UHFFFAOYSA-N 1 0 179.307 2.520 20 30 AFEDRO C=C(C)C[N@@H+](C)C1CC(C)(C)C1 657242096 409460613 /nfs/dbraw/zinc/46/06/13/409460613.db2.gz VAYQJWWETZFTSB-UHFFFAOYSA-N 1 0 167.296 2.683 20 30 AFEDRO C=CC[NH2+]C(C)(C)c1ccccc1 113183439 409463075 /nfs/dbraw/zinc/46/30/75/409463075.db2.gz QTNJDXNYHNNVOW-UHFFFAOYSA-N 1 0 175.275 2.697 20 30 AFEDRO C=C(C)c1ccc(CC[NH+](C)C)cc1 114208371 409463756 /nfs/dbraw/zinc/46/37/56/409463756.db2.gz MKXLGIIHDAIEIT-UHFFFAOYSA-N 1 0 189.302 2.824 20 30 AFEDRO C=CC[NH+](CC=C)C1CCCC1 118202109 409464941 /nfs/dbraw/zinc/46/49/41/409464941.db2.gz WHPDQZAZCDLXQT-UHFFFAOYSA-N 1 0 165.280 2.603 20 30 AFEDRO C=C(CC)C[NH2+][C@H](C)C1CCC1 124036622 409469541 /nfs/dbraw/zinc/46/95/41/409469541.db2.gz QGDPPHQDONHRGD-SNVBAGLBSA-N 1 0 167.296 2.731 20 30 AFEDRO C=C(CC)C[NH2+][C@@H](C)C1CCC1 124036444 409470765 /nfs/dbraw/zinc/47/07/65/409470765.db2.gz QGDPPHQDONHRGD-JTQLQIEISA-N 1 0 167.296 2.731 20 30 AFEDRO C=CCCCn1cnc2c1CCCC2 124057604 409471137 /nfs/dbraw/zinc/47/11/37/409471137.db2.gz UYBQETCOVKBEQP-UHFFFAOYSA-N 1 0 190.290 2.728 20 30 AFEDRO CCC#C[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@H]12 657347903 409472222 /nfs/dbraw/zinc/47/22/22/409472222.db2.gz VALZLKBXGDECGS-RNJOBUHISA-N 1 0 191.318 2.567 20 30 AFEDRO CCC#C[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@H]12 657347901 409472440 /nfs/dbraw/zinc/47/24/40/409472440.db2.gz VALZLKBXGDECGS-NDBYEHHHSA-N 1 0 191.318 2.567 20 30 AFEDRO CCC#C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 657347892 409472588 /nfs/dbraw/zinc/47/25/88/409472588.db2.gz VALZLKBXGDECGS-FVCCEPFGSA-N 1 0 191.318 2.567 20 30 AFEDRO C=CCC[C@H](C)[NH2+][C@H](C)C1CC1 126730023 409474978 /nfs/dbraw/zinc/47/49/78/409474978.db2.gz KBDHSIOPRGFZTJ-VHSXEESVSA-N 1 0 167.296 2.729 20 30 AFEDRO C=CCC[C@@H](C)[NH2+][C@H](C)C1CC1 126730190 409475031 /nfs/dbraw/zinc/47/50/31/409475031.db2.gz KBDHSIOPRGFZTJ-NXEZZACHSA-N 1 0 167.296 2.729 20 30 AFEDRO C=CCC[C@H](C)[NH2+][C@@H](C)C1CC1 126729707 409475284 /nfs/dbraw/zinc/47/52/84/409475284.db2.gz KBDHSIOPRGFZTJ-UWVGGRQHSA-N 1 0 167.296 2.729 20 30 AFEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)C1CC1 126729871 409476292 /nfs/dbraw/zinc/47/62/92/409476292.db2.gz KBDHSIOPRGFZTJ-ZJUUUORDSA-N 1 0 167.296 2.729 20 30 AFEDRO C=C(C)CC[NH2+][C@@H]1CC[C@@H](C)C1 128922165 409480265 /nfs/dbraw/zinc/48/02/65/409480265.db2.gz ULHGFVAZPNXUJV-GHMZBOCLSA-N 1 0 167.296 2.731 20 30 AFEDRO C=C(CC)C[NH2+][C@H]1CC[C@@H](C)C1 128902124 409480572 /nfs/dbraw/zinc/48/05/72/409480572.db2.gz LSAKJDTVQQUSBW-MNOVXSKESA-N 1 0 167.296 2.731 20 30 AFEDRO C=C(C)CC[NH2+][C@H]1CC[C@H](C)C1 128921970 409480831 /nfs/dbraw/zinc/48/08/31/409480831.db2.gz ULHGFVAZPNXUJV-QWRGUYRKSA-N 1 0 167.296 2.731 20 30 AFEDRO C=C(CC)C[NH2+]CCC(C)(C)C 130001743 409480866 /nfs/dbraw/zinc/48/08/66/409480866.db2.gz MGUZBRJDINDRNF-UHFFFAOYSA-N 1 0 169.312 2.978 20 30 AFEDRO C=C(C)CC[NH2+][C@H]1CC[C@@H](C)C1 128921763 409481036 /nfs/dbraw/zinc/48/10/36/409481036.db2.gz ULHGFVAZPNXUJV-MNOVXSKESA-N 1 0 167.296 2.731 20 30 AFEDRO C=C(C)CC[NH2+][C@@H]1CC[C@H](C)C1 128922392 409481090 /nfs/dbraw/zinc/48/10/90/409481090.db2.gz ULHGFVAZPNXUJV-WDEREUQCSA-N 1 0 167.296 2.731 20 30 AFEDRO C=C(CC)C[NH2+][C@@H]1CC[C@H](C)C1 128901448 409481130 /nfs/dbraw/zinc/48/11/30/409481130.db2.gz LSAKJDTVQQUSBW-WDEREUQCSA-N 1 0 167.296 2.731 20 30 AFEDRO C=C(CC)C[NH2+][C@H]1CC[C@H](C)C1 128901689 409481480 /nfs/dbraw/zinc/48/14/80/409481480.db2.gz LSAKJDTVQQUSBW-QWRGUYRKSA-N 1 0 167.296 2.731 20 30 AFEDRO C=C(CC)C[NH2+][C@@H]1CC[C@@H](C)C1 128901880 409481804 /nfs/dbraw/zinc/48/18/04/409481804.db2.gz LSAKJDTVQQUSBW-GHMZBOCLSA-N 1 0 167.296 2.731 20 30 AFEDRO C=CCC[NH2+]C1CCC2(CC1)CC2 657583521 409482828 /nfs/dbraw/zinc/48/28/28/409482828.db2.gz NGQLVRLMMPCACC-UHFFFAOYSA-N 1 0 179.307 2.875 20 30 AFEDRO C=CCC[NH2+]Cc1cccc(CC)c1 657583485 409482979 /nfs/dbraw/zinc/48/29/79/409482979.db2.gz MGNIQIUDHTVJKV-UHFFFAOYSA-N 1 0 189.302 2.915 20 30 AFEDRO C=C(CC)C[NH2+]CC(CC)CC 130325452 409483037 /nfs/dbraw/zinc/48/30/37/409483037.db2.gz QXSKDSJCYIVYLQ-UHFFFAOYSA-N 1 0 169.312 2.978 20 30 AFEDRO C=CCC1([NH2+]CC2CC2)CCCC1 657702945 409490157 /nfs/dbraw/zinc/49/01/57/409490157.db2.gz RCGUPTABOFVGRE-UHFFFAOYSA-N 1 0 179.307 2.875 20 30 AFEDRO C=CCCC(C)(C)[NH2+]CC1CC1 657805408 409495853 /nfs/dbraw/zinc/49/58/53/409495853.db2.gz OEAVCZDHQVMGDL-UHFFFAOYSA-N 1 0 167.296 2.731 20 30 AFEDRO C=CCCC(C)(C)[NH2+]Cc1cc[nH]c1 657805907 409496420 /nfs/dbraw/zinc/49/64/20/409496420.db2.gz WUXFQDFYBUHYNK-UHFFFAOYSA-N 1 0 192.306 2.849 20 30 AFEDRO C=C(CC)C[NH2+][C@H](C)C(C)(C)C 133880379 409498623 /nfs/dbraw/zinc/49/86/23/409498623.db2.gz KXESBGXEEVWHHS-SNVBAGLBSA-N 1 0 169.312 2.977 20 30 AFEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC1 657816962 409498959 /nfs/dbraw/zinc/49/89/59/409498959.db2.gz MEILGFPCENWPDH-CMPLNLGQSA-N 1 0 179.307 2.873 20 30 AFEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC1 657816965 409499562 /nfs/dbraw/zinc/49/95/62/409499562.db2.gz MEILGFPCENWPDH-ZYHUDNBSSA-N 1 0 179.307 2.873 20 30 AFEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC1 657816963 409499652 /nfs/dbraw/zinc/49/96/52/409499652.db2.gz MEILGFPCENWPDH-JQWIXIFHSA-N 1 0 179.307 2.873 20 30 AFEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC1 657816964 409499742 /nfs/dbraw/zinc/49/97/42/409499742.db2.gz MEILGFPCENWPDH-PWSUYJOCSA-N 1 0 179.307 2.873 20 30 AFEDRO C=CCC[NH2+][C@@H](COC)CC(C)(C)C 658114467 409507565 /nfs/dbraw/zinc/50/75/65/409507565.db2.gz ORSOQBYLYCPUOT-LLVKDONJSA-N 1 0 199.338 2.603 20 30 AFEDRO C=CCC[NH2+][C@H](C)C1CCSCC1 658114450 409506742 /nfs/dbraw/zinc/50/67/42/409506742.db2.gz OBINVFLENPQZQZ-SNVBAGLBSA-N 1 0 199.363 2.684 20 30 AFEDRO C=CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 658115341 409506771 /nfs/dbraw/zinc/50/67/71/409506771.db2.gz UVLGEEWQIPRXOS-NEPJUHHUSA-N 1 0 179.307 2.731 20 30 AFEDRO C=CCC[NH2+][C@H](CC)CCC=C 658116737 409506809 /nfs/dbraw/zinc/50/68/09/409506809.db2.gz OLVVGMUWVGFXKC-LLVKDONJSA-N 1 0 167.296 2.897 20 30 AFEDRO C=CCC[NH2+][C@H]1CCC[C@H]1C(C)C 658116741 409506845 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164580422 630836851 /nfs/dbraw/zinc/83/68/51/630836851.db2.gz LHQOGMQQNNTDTF-LBPRGKRZSA-N 1 0 193.334 2.768 20 30 AFEDRO C#CCCC[N@H+]1CC[C@@H](C(C)(C)C)C1 164580308 630837125 /nfs/dbraw/zinc/83/71/25/630837125.db2.gz LHQOGMQQNNTDTF-GFCCVEGCSA-N 1 0 193.334 2.768 20 30 AFEDRO C#CCC[N@@H+](C)[C@H](C)c1cccs1 82493899 630841892 /nfs/dbraw/zinc/84/18/92/630841892.db2.gz XJUWTOMTJWCEOA-SNVBAGLBSA-N 1 0 193.315 2.764 20 30 AFEDRO C#CCC[N@@H+](C)[C@@H]1CCCC[C@H]1C 82493942 630842048 /nfs/dbraw/zinc/84/20/48/630842048.db2.gz IGIISSMELISXBK-VXGBXAGGSA-N 1 0 179.307 2.520 20 30 AFEDRO CC(C)CCC[NH+]1CCC(C#N)CC1 165331549 630842364 /nfs/dbraw/zinc/84/23/64/630842364.db2.gz OYJQIJSGLMWLAW-UHFFFAOYSA-N 1 0 194.322 2.658 20 30 AFEDRO C#CCC[N@@H+]1CCC[C@H]1C1CCCC1 82493983 630842384 /nfs/dbraw/zinc/84/23/84/630842384.db2.gz JKRLKPFWZXNVQP-ZDUSSCGKSA-N 1 0 191.318 2.664 20 30 AFEDRO C#CCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 82493872 630844069 /nfs/dbraw/zinc/84/40/69/630844069.db2.gz 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AFEDRO C#CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C 88131764 756982743 /nfs/dbraw/zinc/98/27/43/756982743.db2.gz CVAJZUIMMOBICG-NWDGAFQWSA-N 1 0 193.334 2.814 20 30 AFEDRO CC[NH2+][C@H](CC)c1ccc(C#N)cc1 159737623 757000888 /nfs/dbraw/zinc/00/08/88/757000888.db2.gz KVINADOMUWQAID-GFCCVEGCSA-N 1 0 188.274 2.619 20 30 AFEDRO CC[NH2+][C@@H](CC)c1ccc(C#N)cc1 159737478 757001427 /nfs/dbraw/zinc/00/14/27/757001427.db2.gz KVINADOMUWQAID-LBPRGKRZSA-N 1 0 188.274 2.619 20 30 AFEDRO CC[NH2+][C@@H](CC)c1cccc(C#N)c1 159737801 757002128 /nfs/dbraw/zinc/00/21/28/757002128.db2.gz QFUHIYJIXNQPAS-LBPRGKRZSA-N 1 0 188.274 2.619 20 30 AFEDRO CC[NH2+][C@H](CC)c1cccc(C#N)c1 159737916 757002431 /nfs/dbraw/zinc/00/24/31/757002431.db2.gz QFUHIYJIXNQPAS-GFCCVEGCSA-N 1 0 188.274 2.619 20 30 AFEDRO CC(C)CCC[N@@H+]1CCC[C@@H](C#N)C1 165331262 757010068 /nfs/dbraw/zinc/01/00/68/757010068.db2.gz YQPNLLQSWYRUHX-LBPRGKRZSA-N 1 0 194.322 2.658 20 30 AFEDRO CC(C)CCC[N@@H+]1CCC[C@H](C#N)C1 165331133 757010787 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XIRUNGBYGHDCJC-NWDGAFQWSA-N 1 0 199.338 2.724 20 30 AFEDRO CCCCCCC[NH2+][C@@H]1CO[C@@H](C)C1 402026428 757157803 /nfs/dbraw/zinc/15/78/03/757157803.db2.gz XIRUNGBYGHDCJC-RYUDHWBXSA-N 1 0 199.338 2.724 20 30 AFEDRO CCCCCCC[NH2+][C@@H]1CO[C@H](C)C1 402026426 757162525 /nfs/dbraw/zinc/16/25/25/757162525.db2.gz XIRUNGBYGHDCJC-NEPJUHHUSA-N 1 0 199.338 2.724 20 30 AFEDRO CC[N@H+](CCCC1CC1)C[C@H](C)C#N 406050566 757237621 /nfs/dbraw/zinc/23/76/21/757237621.db2.gz YVAFWNZLAIYIDX-LLVKDONJSA-N 1 0 194.322 2.658 20 30 AFEDRO CC[N@H+](CCCC1CC1)C[C@@H](C)C#N 406050567 757239806 /nfs/dbraw/zinc/23/98/06/757239806.db2.gz YVAFWNZLAIYIDX-NSHDSACASA-N 1 0 194.322 2.658 20 30 AFEDRO C#CCC[NH2+][C@H](CC)C1CCCCC1 82497071 572031456 /nfs/dbraw/zinc/03/14/56/572031456.db2.gz FPOFHNFUXVNZSY-CYBMUJFWSA-N 1 0 193.334 2.958 20 30 AFEDRO C#CCC[NH2+][C@@H](CC)c1ccccc1 82497053 572031493 /nfs/dbraw/zinc/03/14/93/572031493.db2.gz LCDSRTAOMNGUTL-ZDUSSCGKSA-N 1 0 187.286 2.751 20 30 AFEDRO C#C[C@@H]([NH2+][C@H](C)CC1CCC1)C(C)C 300919841 572055640 /nfs/dbraw/zinc/05/56/40/572055640.db2.gz MSSYZPXOMFXIEB-DGCLKSJQSA-N 1 0 193.334 2.813 20 30 AFEDRO C=C(Cl)C[NH2+]C1CC2(CCC2)C1 642866917 757275472 /nfs/dbraw/zinc/27/54/72/757275472.db2.gz LVCJEUHMQQBPCN-UHFFFAOYSA-N 1 0 185.698 2.661 20 30 AFEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H](SC)C1 235115487 572080482 /nfs/dbraw/zinc/08/04/82/572080482.db2.gz MIPHOFMQOODACA-GHMZBOCLSA-N 1 0 199.363 2.826 20 30 AFEDRO C#CCC[N@@H+](C)Cc1ccc(C)s1 685969395 757299851 /nfs/dbraw/zinc/29/98/51/757299851.db2.gz MYHZHYDUTJAIAN-UHFFFAOYSA-N 1 0 193.315 2.512 20 30 AFEDRO C#C[C@@H]([NH2+][C@H](C)CCCC)C(C)C 300936572 572101292 /nfs/dbraw/zinc/10/12/92/572101292.db2.gz OHVIZHCEJJEHES-VXGBXAGGSA-N 1 0 181.323 2.813 20 30 AFEDRO C#CCCC[N@@H+]1CCC[C@@H]1C1CCC1 688174771 757336536 /nfs/dbraw/zinc/33/65/36/757336536.db2.gz RKLKPUMYBLCJJN-CYBMUJFWSA-N 1 0 191.318 2.664 20 30 AFEDRO C#CCCC[N@@H+]1CCC[C@H]1C1CCC1 688174773 757337099 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187.714 2.702 20 30 AFEDRO CC/C=C\C[NH2+][C@H](C)CC(C)(C)C#N 695834221 757417269 /nfs/dbraw/zinc/41/72/69/757417269.db2.gz BINFZHNFCMQRTN-JMEBYUIHSA-N 1 0 194.322 2.871 20 30 AFEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[C@H]1C 695874139 757417282 /nfs/dbraw/zinc/41/72/82/757417282.db2.gz UWAGFGVCTJVWJD-MXWKQRLJSA-N 1 0 194.322 2.560 20 30 AFEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CCC1 695869835 757417301 /nfs/dbraw/zinc/41/73/01/757417301.db2.gz GAJQOOWODXRRKT-JTQLQIEISA-N 1 0 194.322 2.704 20 30 AFEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1CC=CC1 695873108 757417333 /nfs/dbraw/zinc/41/73/33/757417333.db2.gz QVSOQOFTWWLZFT-JTQLQIEISA-N 1 0 192.306 2.623 20 30 AFEDRO C[C@H](CCC#N)N1CCC=C(Cl)C1 695814349 757417380 /nfs/dbraw/zinc/41/73/80/757417380.db2.gz YJXKJHCOEPHQQW-SECBINFHSA-N 1 0 198.697 2.507 20 30 AFEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC1CC1 695873147 757417427 /nfs/dbraw/zinc/41/74/27/757417427.db2.gz RGKPPKPTCQWRPO-JTQLQIEISA-N 1 0 194.322 2.704 20 30 AFEDRO CC(C)=CC[NH2+][C@H](C)CC(C)(C)C#N 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C#CC[N@@H+]1CC[C@H](C2CCCCC2)C1 708766012 673991721 /nfs/dbraw/zinc/99/17/21/673991721.db2.gz OTPWYOZJEZYCHB-ZDUSSCGKSA-N 1 0 191.318 2.522 20 30 AFEDRO C#CCC[N@@H+]1CC[C@H](C2CCCC2)C1 708767893 673992067 /nfs/dbraw/zinc/99/20/67/673992067.db2.gz XRRVRVUWGAJSIM-ZDUSSCGKSA-N 1 0 191.318 2.522 20 30 AFEDRO C#CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 708766011 673992246 /nfs/dbraw/zinc/99/22/46/673992246.db2.gz OTPWYOZJEZYCHB-CYBMUJFWSA-N 1 0 191.318 2.522 20 30 AFEDRO C#CC[NH+]1CCC(C2CCCC2)CC1 708832623 673992412 /nfs/dbraw/zinc/99/24/12/673992412.db2.gz PSNXSTLXAOCQRK-UHFFFAOYSA-N 1 0 191.318 2.522 20 30 AFEDRO CCCC[NH2+][C@@H](C)CC(C)(C)C#N 709997932 673994625 /nfs/dbraw/zinc/99/46/25/673994625.db2.gz OZMPKKWXFKCLJA-JTQLQIEISA-N 1 0 182.311 2.704 20 30 AFEDRO CCCC[NH2+][C@H](C)CC(C)(C)C#N 709997933 673994697 /nfs/dbraw/zinc/99/46/97/673994697.db2.gz OZMPKKWXFKCLJA-SNVBAGLBSA-N 1 0 182.311 2.704 20 30 AFEDRO C=C(C)CC[NH2+][C@H](C)CC(C)(C)C#N 710001608 673994796 /nfs/dbraw/zinc/99/47/96/673994796.db2.gz QAWMUFZOFNONHS-LLVKDONJSA-N 1 0 194.322 2.871 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N 710000396 673994870 /nfs/dbraw/zinc/99/48/70/673994870.db2.gz YKGWCCJMQPTSKI-GHMZBOCLSA-N 1 0 194.322 2.869 20 30 AFEDRO C=C(C)CC[NH2+][C@@H](C)CC(C)(C)C#N 710001611 673995004 /nfs/dbraw/zinc/99/50/04/673995004.db2.gz QAWMUFZOFNONHS-NSHDSACASA-N 1 0 194.322 2.871 20 30 AFEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CCCC1 709999354 673995248 /nfs/dbraw/zinc/99/52/48/673995248.db2.gz DENMMEMGSNTONC-SNVBAGLBSA-N 1 0 194.322 2.847 20 30 AFEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1CCCC1 709999352 673995350 /nfs/dbraw/zinc/99/53/50/673995350.db2.gz DENMMEMGSNTONC-JTQLQIEISA-N 1 0 194.322 2.847 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N 710000398 673995465 /nfs/dbraw/zinc/99/54/65/673995465.db2.gz YKGWCCJMQPTSKI-MNOVXSKESA-N 1 0 194.322 2.869 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N 710000402 673995484 /nfs/dbraw/zinc/99/54/84/673995484.db2.gz YKGWCCJMQPTSKI-WDEREUQCSA-N 1 0 194.322 2.869 20 30 AFEDRO CC1CC([NH2+][C@H](C)CC(C)(C)C#N)C1 710001560 673995504 /nfs/dbraw/zinc/99/55/04/673995504.db2.gz OYYCUGXVDJULQY-HSOILSAZSA-N 1 0 194.322 2.703 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N 710000399 673995628 /nfs/dbraw/zinc/99/56/28/673995628.db2.gz YKGWCCJMQPTSKI-QWRGUYRKSA-N 1 0 194.322 2.869 20 30 AFEDRO CC1CC([NH2+][C@@H](C)CC(C)(C)C#N)C1 710001561 673995651 /nfs/dbraw/zinc/99/56/51/673995651.db2.gz OYYCUGXVDJULQY-YVNMAJEFSA-N 1 0 194.322 2.703 20 30 AFEDRO C#C[C@](C)(CC)[NH2+]CCCC1CCC1 711182311 673999191 /nfs/dbraw/zinc/99/91/91/673999191.db2.gz VRAUDDYIBKLOSY-CYBMUJFWSA-N 1 0 193.334 2.958 20 30 AFEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1C=CCC1 711762067 674003596 /nfs/dbraw/zinc/00/35/96/674003596.db2.gz YNNKSERVWDJMOY-NEPJUHHUSA-N 1 0 179.307 2.897 20 30 AFEDRO C=CCC[C@H](C)[NH2+]CCC(C)(C)OC 711916905 674004629 /nfs/dbraw/zinc/00/46/29/674004629.db2.gz KXRSFGRVTSIZNT-NSHDSACASA-N 1 0 199.338 2.746 20 30 AFEDRO C=CCC[C@@H](C)[NH2+]CCC(C)(C)OC 711916903 674004656 /nfs/dbraw/zinc/00/46/56/674004656.db2.gz KXRSFGRVTSIZNT-LLVKDONJSA-N 1 0 199.338 2.746 20 30 AFEDRO C#CC[N@H+]1CCCC[C@H]1CCC(C)C 760962250 674007518 /nfs/dbraw/zinc/00/75/18/674007518.db2.gz YWVRXDZOGARVFB-ZDUSSCGKSA-N 1 0 193.334 2.910 20 30 AFEDRO C#CC[N@H+]1CCCC[C@@H]1CCC(C)C 760962248 674007571 /nfs/dbraw/zinc/00/75/71/674007571.db2.gz YWVRXDZOGARVFB-CYBMUJFWSA-N 1 0 193.334 2.910 20 30 AFEDRO C#CC[N@H+]1CCCC(C)(C)[C@@H]1CC=C 769954868 674008535 /nfs/dbraw/zinc/00/85/35/674008535.db2.gz XVZLHJTUFWMCGJ-LBPRGKRZSA-N 1 0 191.318 2.686 20 30 AFEDRO C#C[C@](C)(CC)[NH2+]CC/C=C/C=C 713748311 674016501 /nfs/dbraw/zinc/01/65/01/674016501.db2.gz KCLPOBMTLAUTSM-IDVQTMNDSA-N 1 0 177.291 2.510 20 30 AFEDRO C#C[C@](C)(CC)[NH2+]CC/C=C\C=C 713748312 674015746 /nfs/dbraw/zinc/01/57/46/674015746.db2.gz KCLPOBMTLAUTSM-JLVNDZCYSA-N 1 0 177.291 2.510 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+]CC/C=C\C=C 713748313 674015849 /nfs/dbraw/zinc/01/58/49/674015849.db2.gz KCLPOBMTLAUTSM-LAUAKBEESA-N 1 0 177.291 2.510 20 30 AFEDRO C#C[C@@](C)(CC)[NH2+]CC/C=C/C=C 713748310 674015901 /nfs/dbraw/zinc/01/59/01/674015901.db2.gz KCLPOBMTLAUTSM-BCPZQOPPSA-N 1 0 177.291 2.510 20 30 AFEDRO C=CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 148474828 1169243916 /nfs/dbraw/zinc/24/39/16/1169243916.db2.gz LUMQNTNUYDZPBJ-NWDGAFQWSA-N 1 0 179.307 2.685 20 30 AFEDRO C=CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 148475078 1169244701 /nfs/dbraw/zinc/24/47/01/1169244701.db2.gz LUMQNTNUYDZPBJ-VXGBXAGGSA-N 1 0 179.307 2.685 20 30 AFEDRO C#C[C@H](C)[NH2+][C@H](C)CCCCC=C 824364220 674030424 /nfs/dbraw/zinc/03/04/24/674030424.db2.gz WSPVDWGTDJSYOZ-NWDGAFQWSA-N 1 0 179.307 2.733 20 30 AFEDRO C#C[C@@H](C)[NH2+][C@@H](C)CCCCC=C 824364219 674030810 /nfs/dbraw/zinc/03/08/10/674030810.db2.gz WSPVDWGTDJSYOZ-NEPJUHHUSA-N 1 0 179.307 2.733 20 30 AFEDRO C#C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C 824363577 674030821 /nfs/dbraw/zinc/03/08/21/674030821.db2.gz GUHGAEXFXAJHEO-WUHRBBMRSA-N 1 0 193.334 2.813 20 30 AFEDRO C#C[C@@H](C)[NH2+][C@H](C)CCCCC=C 824364222 674030827 /nfs/dbraw/zinc/03/08/27/674030827.db2.gz WSPVDWGTDJSYOZ-VXGBXAGGSA-N 1 0 179.307 2.733 20 30 AFEDRO C#C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C 824363579 674030844 /nfs/dbraw/zinc/03/08/44/674030844.db2.gz GUHGAEXFXAJHEO-YVECIDJPSA-N 1 0 193.334 2.813 20 30 AFEDRO C#C[C@H](C)[NH2+][C@H](C)[C@H]1CCCC[C@H]1C 824363578 674030848 /nfs/dbraw/zinc/03/08/48/674030848.db2.gz GUHGAEXFXAJHEO-XQHKEYJVSA-N 1 0 193.334 2.813 20 30 AFEDRO C#C[C@H](C)[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C 824363576 674030849 /nfs/dbraw/zinc/03/08/49/674030849.db2.gz GUHGAEXFXAJHEO-RVMXOQNASA-N 1 0 193.334 2.813 20 30 AFEDRO C#C[C@H](C)[NH2+][C@@H](C)CCCCC=C 824364221 674030878 /nfs/dbraw/zinc/03/08/78/674030878.db2.gz WSPVDWGTDJSYOZ-RYUDHWBXSA-N 1 0 179.307 2.733 20 30 AFEDRO C=CC[N@H+](CC1=CCCC1)C(C)C 827799925 674031578 /nfs/dbraw/zinc/03/15/78/674031578.db2.gz WIMKNCYXEYEFNB-UHFFFAOYSA-N 1 0 179.307 2.993 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@@H]1[C@@H](C)CC[C@H]1C 878597262 674043406 /nfs/dbraw/zinc/04/34/06/674043406.db2.gz MCKAKRFLLKZQEL-KXNHARMFSA-N 1 0 181.323 2.975 20 30 AFEDRO C#CCCC[NH2+][C@H](C)CCCCC 160872151 1169262442 /nfs/dbraw/zinc/26/24/42/1169262442.db2.gz BEZSQRDWSHLZPH-GFCCVEGCSA-N 1 0 181.323 2.958 20 30 AFEDRO C#CCCC[NH2+][C@@H](C)c1cccs1 160874803 1169262372 /nfs/dbraw/zinc/26/23/72/1169262372.db2.gz ICVYODRLLYFLMR-JTQLQIEISA-N 1 0 193.315 2.812 20 30 AFEDRO C#CCCC[NH2+][C@@H](C)CCCCC 160872296 1169262692 /nfs/dbraw/zinc/26/26/92/1169262692.db2.gz BEZSQRDWSHLZPH-LBPRGKRZSA-N 1 0 181.323 2.958 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[C@H]1C 878597265 674044024 /nfs/dbraw/zinc/04/40/24/674044024.db2.gz MCKAKRFLLKZQEL-WHOHXGKFSA-N 1 0 181.323 2.975 20 30 AFEDRO C=CC[C@H](C)[NH2+]C1[C@@H](C)CC[C@@H]1C 878597260 674044204 /nfs/dbraw/zinc/04/42/04/674044204.db2.gz MCKAKRFLLKZQEL-DCAQKATOSA-N 1 0 181.323 2.975 20 30 AFEDRO C=CC[C@H](C)[NH2+]C1[C@H](C)CC[C@H]1C 878597264 674044207 /nfs/dbraw/zinc/04/42/07/674044207.db2.gz MCKAKRFLLKZQEL-MXWKQRLJSA-N 1 0 181.323 2.975 20 30 AFEDRO CC[C@@H]1C[C@H]1C[N@H+](C)CC(C)(C)C#N 930570249 674053687 /nfs/dbraw/zinc/05/36/87/674053687.db2.gz VMROKSVUCLMALJ-MNOVXSKESA-N 1 0 194.322 2.514 20 30 AFEDRO C#CCC[N@@H+](CC(C)C)C1CCCC1 87286825 674059096 /nfs/dbraw/zinc/05/90/96/674059096.db2.gz ASYCKUCPNMGAIF-UHFFFAOYSA-N 1 0 193.334 2.910 20 30 AFEDRO C#CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C 88131762 674059829 /nfs/dbraw/zinc/05/98/29/674059829.db2.gz CVAJZUIMMOBICG-RYUDHWBXSA-N 1 0 193.334 2.814 20 30 AFEDRO C#CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C 88131761 674059877 /nfs/dbraw/zinc/05/98/77/674059877.db2.gz CVAJZUIMMOBICG-NEPJUHHUSA-N 1 0 193.334 2.814 20 30 AFEDRO C=C(C)CC[NH2+]CCC(C)C 168945946 1169288502 /nfs/dbraw/zinc/28/85/02/1169288502.db2.gz QPYHSSYATGPZLW-UHFFFAOYSA-N 1 0 155.285 2.588 20 30 AFEDRO CC(C)C[N@H+](CCC#N)C[C@H]1C[C@H]1C 722873498 674079353 /nfs/dbraw/zinc/07/93/53/674079353.db2.gz KDARRMIUWMEGCT-VXGBXAGGSA-N 1 0 194.322 2.514 20 30 AFEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1C[C@H]1C 722873495 674079474 /nfs/dbraw/zinc/07/94/74/674079474.db2.gz KDARRMIUWMEGCT-NEPJUHHUSA-N 1 0 194.322 2.514 20 30 AFEDRO CC(C)C[N@H+](CCC#N)C[C@H]1C[C@@H]1C 722873496 674079864 /nfs/dbraw/zinc/07/98/64/674079864.db2.gz KDARRMIUWMEGCT-NWDGAFQWSA-N 1 0 194.322 2.514 20 30 AFEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1C[C@@H]1C 722873497 674080070 /nfs/dbraw/zinc/08/00/70/674080070.db2.gz KDARRMIUWMEGCT-RYUDHWBXSA-N 1 0 194.322 2.514 20 30 AFEDRO C#CC[N@@H+]1CCCC[C@@H]1c1ccccc1 217553664 1169336429 /nfs/dbraw/zinc/33/64/29/1169336429.db2.gz SJECFFGRDUMYLA-CQSZACIVSA-N 1 0 199.297 2.847 20 30 AFEDRO C[C@H]1C[C@H]([NH2+][C@H](C)CC#N)CC[C@H]1C 221394798 1169355016 /nfs/dbraw/zinc/35/50/16/1169355016.db2.gz JPVLSLTXKNIBCW-WRWGMCAJSA-N 1 0 194.322 2.703 20 30 AFEDRO C[C@H]1CC[C@@H]([NH2+][C@H](C)CC#N)C[C@H]1C 251748508 1169430737 /nfs/dbraw/zinc/43/07/37/1169430737.db2.gz JPVLSLTXKNIBCW-IRCOFANPSA-N 1 0 194.322 2.703 20 30 AFEDRO C[C@H]1CC[C@@H]([NH2+][C@H](C)CC#N)C[C@@H]1C 251748511 1169430841 /nfs/dbraw/zinc/43/08/41/1169430841.db2.gz JPVLSLTXKNIBCW-NNYUYHANSA-N 1 0 194.322 2.703 20 30 AFEDRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)CC#N)C1 251727472 1169431418 /nfs/dbraw/zinc/43/14/18/1169431418.db2.gz KGHRVFHMADHNRQ-UTUOFQBUSA-N 1 0 194.322 2.847 20 30 AFEDRO C[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 251748506 1169431639 /nfs/dbraw/zinc/43/16/39/1169431639.db2.gz JPVLSLTXKNIBCW-DDHJBXDOSA-N 1 0 194.322 2.703 20 30 AFEDRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC#N)C1 251727470 1169431746 /nfs/dbraw/zinc/43/17/46/1169431746.db2.gz KGHRVFHMADHNRQ-IJLUTSLNSA-N 1 0 194.322 2.847 20 30 AFEDRO CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@H](C#N)C1 306356587 1169473587 /nfs/dbraw/zinc/47/35/87/1169473587.db2.gz SZIHSGWTBJVXJN-QJPTWQEYSA-N 1 0 194.322 2.657 20 30 AFEDRO CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 306356595 1169473751 /nfs/dbraw/zinc/47/37/51/1169473751.db2.gz SZIHSGWTBJVXJN-SDDRHHMPSA-N 1 0 194.322 2.657 20 30 AFEDRO 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193.334 2.958 20 30 AFEDRO C#CCCCCCC[NH2+]C/C=C/Cl 898427734 582554060 /nfs/dbraw/zinc/55/40/60/582554060.db2.gz FABUSWCNTSYBQP-CMDGGOBGSA-N 1 0 199.725 2.912 20 30 AFEDRO C#CCCCCCC[NH2+]C/C=C\Cl 898427738 582554261 /nfs/dbraw/zinc/55/42/61/582554261.db2.gz FABUSWCNTSYBQP-HJWRWDBZSA-N 1 0 199.725 2.912 20 30 AFEDRO C=CC[C@H](C)[C@H](C)[NH2+]C/C=C\Cl 898434758 582554509 /nfs/dbraw/zinc/55/45/09/582554509.db2.gz YEFZVSOGIUAWRS-XTKVZWQSSA-N 1 0 187.714 2.929 20 30 AFEDRO C=CC[C@H](C)[C@H](C)[NH2+]C/C=C/Cl 898434757 582554920 /nfs/dbraw/zinc/55/49/20/582554920.db2.gz YEFZVSOGIUAWRS-MLXLLJIISA-N 1 0 187.714 2.929 20 30 AFEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C/C=C/Cl 898434756 582554924 /nfs/dbraw/zinc/55/49/24/582554924.db2.gz YEFZVSOGIUAWRS-IUUOVRRDSA-N 1 0 187.714 2.929 20 30 AFEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C/C=C\Cl 898434759 582555002 /nfs/dbraw/zinc/55/50/02/582555002.db2.gz YEFZVSOGIUAWRS-ZBOIFRAGSA-N 1 0 187.714 2.929 20 30 AFEDRO C=C(C)c1ccc2c(c1)CC[C@H]([NH3+])C2 899323873 582560499 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AAHCPDJIYYZLPN-UHFFFAOYSA-N 1 0 193.265 2.968 20 30 AFEDRO C=C(C)c1ccc(F)c(C[NH2+]C)c1 904795298 582640647 /nfs/dbraw/zinc/64/06/47/582640647.db2.gz QOPTWNHEVMYDSE-UHFFFAOYSA-N 1 0 179.238 2.578 20 30 AFEDRO C=C(C)c1ccc(F)c2c1CC[NH2+]C2 904795688 582640684 /nfs/dbraw/zinc/64/06/84/582640684.db2.gz VNKGKVLZQSYQND-UHFFFAOYSA-N 1 0 191.249 2.505 20 30 AFEDRO C=C(C)c1ccc(F)c2c1C[NH2+]CC2 904794710 582640928 /nfs/dbraw/zinc/64/09/28/582640928.db2.gz BCGFTKLMZFKABL-UHFFFAOYSA-N 1 0 191.249 2.505 20 30 AFEDRO C=C(C)c1cncc([C@H]2CCC[NH2+]2)c1 906168080 582655074 /nfs/dbraw/zinc/65/50/74/582655074.db2.gz FGQOSKVRZXYJGJ-GFCCVEGCSA-N 1 0 188.274 2.539 20 30 AFEDRO C=C(C)c1cncc([C@@H]2CCC[NH2+]2)c1 906168082 582655293 /nfs/dbraw/zinc/65/52/93/582655293.db2.gz FGQOSKVRZXYJGJ-LBPRGKRZSA-N 1 0 188.274 2.539 20 30 AFEDRO C#Cc1cccc(C[NH2+]CCCC)c1 906531394 582656989 /nfs/dbraw/zinc/65/69/89/582656989.db2.gz NZIVDVOSTOJAEP-UHFFFAOYSA-N 1 0 187.286 2.558 20 30 AFEDRO CCCC[NH2+]CC1CCC(C#N)CC1 906528333 582657201 /nfs/dbraw/zinc/65/72/01/582657201.db2.gz YLNIFMQSWBANQO-UHFFFAOYSA-N 1 0 194.322 2.706 20 30 AFEDRO C=CCC1([NH2+]CCCC)CCOCC1 906534831 582657730 /nfs/dbraw/zinc/65/77/30/582657730.db2.gz UXTQIOUWFOVYNV-UHFFFAOYSA-N 1 0 197.322 2.501 20 30 AFEDRO C#CC[NH2+][C@H](C)c1cc(C)cc(C)c1 149348996 582659224 /nfs/dbraw/zinc/65/92/24/582659224.db2.gz FMDAJVNDPVZCIB-GFCCVEGCSA-N 1 0 187.286 2.587 20 30 AFEDRO C#CC[NH2+][C@@H](C)c1cc(C)cc(C)c1 149349149 582659506 /nfs/dbraw/zinc/65/95/06/582659506.db2.gz FMDAJVNDPVZCIB-LBPRGKRZSA-N 1 0 187.286 2.587 20 30 AFEDRO C=C(C)CC[NH2+][C@H](C)C(C)(C)C 168047043 582662154 /nfs/dbraw/zinc/66/21/54/582662154.db2.gz QFHPEIZVIDBFSL-SNVBAGLBSA-N 1 0 169.312 2.977 20 30 AFEDRO C=C(C)C[NH2+]Cc1cc(F)cc(F)c1 164822567 582662172 /nfs/dbraw/zinc/66/21/72/582662172.db2.gz RIQGTLANGFEUPJ-UHFFFAOYSA-N 1 0 197.228 2.631 20 30 AFEDRO C=C(C)CC[NH2+][C@@H](C)C(C)(C)C 168046930 582662251 /nfs/dbraw/zinc/66/22/51/582662251.db2.gz QFHPEIZVIDBFSL-JTQLQIEISA-N 1 0 169.312 2.977 20 30 AFEDRO C#CCCCC[NH2+][C@@H](C)[C@@H](C)CC 222290339 582667275 /nfs/dbraw/zinc/66/72/75/582667275.db2.gz JIHJSZQOICKOEG-RYUDHWBXSA-N 1 0 181.323 2.814 20 30 AFEDRO C#CCCCC[NH2+][C@@H](C)CCC 222287049 582667574 /nfs/dbraw/zinc/66/75/74/582667574.db2.gz WRKRMCVHBBECBI-NSHDSACASA-N 1 0 167.296 2.568 20 30 AFEDRO C#CCCCC[NH2+][C@H](C)[C@H](C)CC 222290504 582669565 /nfs/dbraw/zinc/66/95/65/582669565.db2.gz JIHJSZQOICKOEG-VXGBXAGGSA-N 1 0 181.323 2.814 20 30 AFEDRO CCCCCCC[NH2+][C@@H]1CCO[C@H]1C 134526989 582677078 /nfs/dbraw/zinc/67/70/78/582677078.db2.gz DHUJZXFNTOVKFF-NWDGAFQWSA-N 1 0 199.338 2.724 20 30 AFEDRO C#CCCC[N@H+]1CCC[C@](C)(CC)C1 766902615 582677227 /nfs/dbraw/zinc/67/72/27/582677227.db2.gz LPSMUNURGKNFLB-ZDUSSCGKSA-N 1 0 193.334 2.912 20 30 AFEDRO C#CCCC[N@H+]1CCC[C@@](C)(CC)C1 766902602 582677359 /nfs/dbraw/zinc/67/73/59/582677359.db2.gz LPSMUNURGKNFLB-CYBMUJFWSA-N 1 0 193.334 2.912 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cncs1 161689962 582701744 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196.319 2.758 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccn1 161657360 582701652 /nfs/dbraw/zinc/70/16/52/582701652.db2.gz QZBMYCBNAPVYMO-MNOVXSKESA-N 1 0 190.290 2.697 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cscn1 161681654 582701697 /nfs/dbraw/zinc/70/16/97/582701697.db2.gz RAQAOYKMIIBSJP-IUCAKERBSA-N 1 0 196.319 2.758 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@H](CC)C1CC1 161660184 582701707 /nfs/dbraw/zinc/70/17/07/582701707.db2.gz PHXTZHVMGFJDGW-MWLCHTKSSA-N 1 0 167.296 2.729 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H](C)C(C)C 161684861 582701717 /nfs/dbraw/zinc/70/17/17/582701717.db2.gz LZEXUPXYMOCLRU-UWVGGRQHSA-N 1 0 155.285 2.585 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@@H](C)CC 161664864 582701737 /nfs/dbraw/zinc/70/17/37/582701737.db2.gz UCTMAMSNAOQQJO-GARJFASQSA-N 1 0 169.312 2.975 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccccn1 161657598 582701796 /nfs/dbraw/zinc/70/17/96/582701796.db2.gz QZBMYCBNAPVYMO-GHMZBOCLSA-N 1 0 190.290 2.697 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H](C)c1nccs1 161658518 582701849 /nfs/dbraw/zinc/70/18/49/582701849.db2.gz IZKDRTLSYQWBOJ-DTWKUNHWSA-N 1 0 196.319 2.758 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cncs1 161690223 582702137 /nfs/dbraw/zinc/70/21/37/582702137.db2.gz CDYRKWLGVSPCFC-DTWKUNHWSA-N 1 0 196.319 2.758 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@H](C)CC 161665000 582701973 /nfs/dbraw/zinc/70/19/73/582701973.db2.gz UCTMAMSNAOQQJO-VWYCJHECSA-N 1 0 169.312 2.975 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cscn1 161682058 582701998 /nfs/dbraw/zinc/70/19/98/582701998.db2.gz RAQAOYKMIIBSJP-RKDXNWHRSA-N 1 0 196.319 2.758 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccoc1 161666241 582702020 /nfs/dbraw/zinc/70/20/20/582702020.db2.gz UTGCABNUJHJDIR-NXEZZACHSA-N 1 0 179.263 2.895 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cscn1 161681784 582702030 /nfs/dbraw/zinc/70/20/30/582702030.db2.gz RAQAOYKMIIBSJP-BDAKNGLRSA-N 1 0 196.319 2.758 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)C1CC1 161660089 582702039 /nfs/dbraw/zinc/70/20/39/582702039.db2.gz PHXTZHVMGFJDGW-KOLCDFICSA-N 1 0 167.296 2.729 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1nccs1 161658279 582702043 /nfs/dbraw/zinc/70/20/43/582702043.db2.gz IZKDRTLSYQWBOJ-IUCAKERBSA-N 1 0 196.319 2.758 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H](C)C(C)C 161684750 582702048 /nfs/dbraw/zinc/70/20/48/582702048.db2.gz LZEXUPXYMOCLRU-VHSXEESVSA-N 1 0 155.285 2.585 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCC 161648464 582702082 /nfs/dbraw/zinc/70/20/82/582702082.db2.gz WVTLBPHXRQGBEJ-ZJUUUORDSA-N 1 0 155.285 2.729 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cncs1 161690082 582702097 /nfs/dbraw/zinc/70/20/97/582702097.db2.gz CDYRKWLGVSPCFC-BDAKNGLRSA-N 1 0 196.319 2.758 20 30 AFEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cncs1 161690350 582702099 /nfs/dbraw/zinc/70/20/99/582702099.db2.gz CDYRKWLGVSPCFC-RKDXNWHRSA-N 1 0 196.319 2.758 20 30 AFEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccccn1 161657481 582702111 /nfs/dbraw/zinc/70/21/11/582702111.db2.gz QZBMYCBNAPVYMO-WDEREUQCSA-N 1 0 190.290 2.697 20 30 AFEDRO 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