smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1cccnc1OC1CCCC1 238571618 697708914 /nfs/dbraw/zinc/70/89/14/697708914.db2.gz GENRQVSQULCQBS-UHFFFAOYSA-N 0 0 181.210 2.542 40 0 AFABRN CCNc1cccc2ccc(O)cc12 148829764 325624555 /nfs/dbraw/zinc/62/45/55/325624555.db2.gz AKSHJHLAHSTGHY-UHFFFAOYSA-N 0 0 187.242 2.977 40 0 AFABRN Cc1ccc([C@@H]2C[C@H]2[C@H](C)O)cc1C 248380525 325634652 /nfs/dbraw/zinc/63/46/52/325634652.db2.gz QHYNQMYSKHTPDE-DRZSPHRISA-N 0 0 190.286 2.788 40 0 AFABRN Cc1c(F)cccc1[C@@H]1C[C@@H]1[C@H](C)O 252515767 325636243 /nfs/dbraw/zinc/63/62/43/325636243.db2.gz NFZOHHBTLCICDG-GDPRMGEGSA-N 0 0 194.249 2.618 40 0 AFABRN CNc1ccccc1N1CCCCC1 62796668 132176988 /nfs/dbraw/zinc/17/69/88/132176988.db2.gz NAMUMBGRAOBCFF-UHFFFAOYSA-N 0 0 190.290 2.719 40 0 AFABRN Cc1ccccc1N1CCCCC1 1656265 132179455 /nfs/dbraw/zinc/17/94/55/132179455.db2.gz OGLZSMPGMUDNKR-UHFFFAOYSA-N 0 0 175.275 2.985 40 0 AFABRN Cc1cc2c3c(c1)CCCN3CCC2 3593536 132180244 /nfs/dbraw/zinc/18/02/44/132180244.db2.gz QZTWYOTURUWJLW-UHFFFAOYSA-N 0 0 187.286 2.694 40 0 AFABRN Cc1ccc2c3c1CCCN3CCC2 5160503 132181625 /nfs/dbraw/zinc/18/16/25/132181625.db2.gz AKMPASPGNGRDDM-UHFFFAOYSA-N 0 0 187.286 2.694 40 0 AFABRN Clc1cccnc1N1CCCCC1 19872639 132184457 /nfs/dbraw/zinc/18/44/57/132184457.db2.gz HBZRFSOKNDDLKR-UHFFFAOYSA-N 0 0 196.681 2.725 40 0 AFABRN CC1CCN(c2ccccc2)CC1 34527876 132187741 /nfs/dbraw/zinc/18/77/41/132187741.db2.gz VJPATYRREZJCLJ-UHFFFAOYSA-N 0 0 175.275 2.923 40 0 AFABRN COc1ccc2[nH]ccc2c1Cl 96379364 133421130 /nfs/dbraw/zinc/42/11/30/133421130.db2.gz LQWRYYUMZJGPDF-UHFFFAOYSA-N 0 0 181.622 2.830 40 0 in-vitro AFABRN CC(C)COCc1ccn(C(C)C)n1 408715607 133441682 /nfs/dbraw/zinc/44/16/82/133441682.db2.gz WWIKTYUMQVRXAJ-UHFFFAOYSA-N 0 0 196.294 2.637 40 0 AFABRN Cc1cccc(C)c1-n1cccc1C=O 78582674 136409272 /nfs/dbraw/zinc/40/92/72/136409272.db2.gz IXTDGHYGOQZUFF-UHFFFAOYSA-N 0 0 199.253 2.907 40 0 AFABRN Cc1c(C=O)ccn1-c1ccccc1 78582710 136409392 /nfs/dbraw/zinc/40/93/92/136409392.db2.gz KWXPOYLXUOJHCO-UHFFFAOYSA-N 0 0 185.226 2.598 40 0 AFABRN C/C=C\CCC(C)C 80928524 136409996 /nfs/dbraw/zinc/40/99/96/136409996.db2.gz LXBJRNXXTAWCKU-PLNGDYQASA-N 0 0 112.216 2.999 40 0 AFABRN c1c[nH]c(-c2cccs2)c1 334279 342934148 /nfs/dbraw/zinc/93/41/48/342934148.db2.gz XCJMGRZQOXNTRE-UHFFFAOYSA-N 0 0 149.218 2.743 40 0 AFABRN Cc1cc(C)c2c(c1)C(=O)C[C@H](C)O2 482522 342939484 /nfs/dbraw/zinc/93/94/84/342939484.db2.gz GMRTZHGUDSIYJP-VIFPVBQESA-N 0 0 190.242 2.657 40 0 AFABRN CCc1nc2ccccc2n1CC 572608 342941268 /nfs/dbraw/zinc/94/12/68/342941268.db2.gz IGBHTEKXXXSNSX-UHFFFAOYSA-N 0 0 174.247 2.619 40 0 AFABRN CCc1ccc2nccc(C=O)c2c1 1526855 342946129 /nfs/dbraw/zinc/94/61/29/342946129.db2.gz ZESZYNYUHFYVFF-UHFFFAOYSA-N 0 0 185.226 2.610 40 0 AFABRN CCc1cccc2c(C=O)ccnc12 1526881 342946167 /nfs/dbraw/zinc/94/61/67/342946167.db2.gz HWJAMZBOQHIPKD-UHFFFAOYSA-N 0 0 185.226 2.610 40 0 AFABRN Cc1c(Cl)cc(O)c(N)c1Cl 1509880 342946185 /nfs/dbraw/zinc/94/61/85/342946185.db2.gz JWEADMWSDQJQSN-UHFFFAOYSA-N 0 0 192.045 2.590 40 0 AFABRN Cc1ccc(C)c2nc(C=O)ccc12 1526679 342946187 /nfs/dbraw/zinc/94/61/87/342946187.db2.gz PAQRALDFZMAGMK-UHFFFAOYSA-N 0 0 185.226 2.664 40 0 AFABRN CCCC(=O)O[C@H](C)CC(C)C 1555622 342946993 /nfs/dbraw/zinc/94/69/93/342946993.db2.gz YKIZNXWSYATKON-SECBINFHSA-N 0 0 172.268 2.764 40 0 in-vitro AFABRN Cc1cnc2cc(Cl)ccc2n1 1555707 342947056 /nfs/dbraw/zinc/94/70/56/342947056.db2.gz DJACXKBXNSFQAU-UHFFFAOYSA-N 0 0 178.622 2.592 40 0 AFABRN CC(C)[C@](C)(O)c1ccccc1 1555565 342947067 /nfs/dbraw/zinc/94/70/67/342947067.db2.gz KZVSJCRPDWUPEP-NSHDSACASA-N 0 0 164.248 2.550 40 0 AFABRN C[C@]12C=CCC[C@@H]1CC(=O)CC2 1657050 342954882 /nfs/dbraw/zinc/95/48/82/342954882.db2.gz AZIVURUBLCCCKL-MWLCHTKSSA-N 0 0 164.248 2.712 40 0 AFABRN C[C@@H]1CCO[C@@](C)(c2cccs2)O1 1663812 342955189 /nfs/dbraw/zinc/95/51/89/342955189.db2.gz OMTFODLVSOMXDU-PSASIEDQSA-N 0 0 198.287 2.746 40 0 AFABRN ClC1(Cl)[C@H]2CCC[C@H]21 1665049 342955217 /nfs/dbraw/zinc/95/52/17/342955217.db2.gz HNNSUVSMKQVPCJ-SYDPRGILSA-N 0 0 151.036 2.590 40 0 AFABRN Oc1cccc2c1-c1ccccc1C2 1598741 342950680 /nfs/dbraw/zinc/95/06/80/342950680.db2.gz ANGFHRWEXHAILW-UHFFFAOYSA-N 0 0 182.222 2.963 40 0 AFABRN Cc1cccc(OC[C@H]2CCCO2)c1 1602684 342951244 /nfs/dbraw/zinc/95/12/44/342951244.db2.gz WTOHWYGZODWVNU-GFCCVEGCSA-N 0 0 192.258 2.553 40 0 AFABRN CCCC[C@@H](O)CNc1ccccc1 1610106 342952083 /nfs/dbraw/zinc/95/20/83/342952083.db2.gz ZGTBHWTYCPLLMD-GFCCVEGCSA-N 0 0 193.290 2.650 40 0 AFABRN Cc1c(C=O)cc(-c2ccccc2)n1C 1612281 342952085 /nfs/dbraw/zinc/95/20/85/342952085.db2.gz UBYNCMCVHOVICB-UHFFFAOYSA-N 0 0 199.253 2.813 40 0 AFABRN CC(C)c1ccc(OC[C@H](C)O)cc1 1608797 342952097 /nfs/dbraw/zinc/95/20/97/342952097.db2.gz JEZKYEJAJPGDFC-JTQLQIEISA-N 0 0 194.274 2.570 40 0 AFABRN Cc1cc(C)c(O)c(Cl)c1 1679775 342957538 /nfs/dbraw/zinc/95/75/38/342957538.db2.gz UYQJDLQDEOPDJX-UHFFFAOYSA-N 0 0 156.612 2.662 40 0 AFABRN CC[C@@](C)(O)c1ccc(C)cc1 1679961 342957558 /nfs/dbraw/zinc/95/75/58/342957558.db2.gz OSMIIEJACABGAC-LLVKDONJSA-N 0 0 164.248 2.613 40 0 AFABRN C[C@H]1OC(C)(c2ccccc2)O[C@@H]1C 1693686 342959303 /nfs/dbraw/zinc/95/93/03/342959303.db2.gz WMAYHUYATQWWQA-NXEZZACHSA-N 0 0 192.258 2.683 40 0 AFABRN C[C@@H]1CCO[C@](C)(c2cccs2)O1 1663810 342955235 /nfs/dbraw/zinc/95/52/35/342955235.db2.gz OMTFODLVSOMXDU-SCZZXKLOSA-N 0 0 198.287 2.746 40 0 AFABRN CC[C@]1(C)OCC(C)(C)[C@@H](C)O1 1667376 342955576 /nfs/dbraw/zinc/95/55/76/342955576.db2.gz HIYVTLGVRBZEDM-PSASIEDQSA-N 0 0 172.268 2.574 40 0 AFABRN C[C@@H]1OC2(CCCC2)OCC1(C)C 1667385 342955595 /nfs/dbraw/zinc/95/55/95/342955595.db2.gz YAIAQJDANYUUML-VIFPVBQESA-N 0 0 184.279 2.718 40 0 AFABRN CC1CCC2(CC1)OCC[C@H](C)O2 1668412 342955970 /nfs/dbraw/zinc/95/59/70/342955970.db2.gz LKMFSLLYLIIRFZ-YVNMAJEFSA-N 0 0 184.279 2.718 40 0 AFABRN Cc1cc2c(O)ccc(O)c2cc1C 1669606 342955997 /nfs/dbraw/zinc/95/59/97/342955997.db2.gz ZEZRUNGKHBAXPF-UHFFFAOYSA-N 0 0 188.226 2.868 40 0 AFABRN CC[C@@H]1CC[C@@H](CC)C1OC(C)=O 1758471 342963814 /nfs/dbraw/zinc/96/38/14/342963814.db2.gz IJPBRBVDYZFVMV-NXEZZACHSA-N 0 0 184.279 2.764 40 0 AFABRN CCCCC[C@@H](C)C(C)=O 1755579 342963835 /nfs/dbraw/zinc/96/38/35/342963835.db2.gz XSWHAOGCTCBDIT-MRVPVSSYSA-N 0 0 142.242 2.792 40 0 AFABRN CC[C@H]1CC[C@H](CC)C1OC(C)=O 1758472 342963846 /nfs/dbraw/zinc/96/38/46/342963846.db2.gz IJPBRBVDYZFVMV-UWVGGRQHSA-N 0 0 184.279 2.764 40 0 AFABRN Cc1cc2c(cc1Cl)ncn2C 1763173 342964253 /nfs/dbraw/zinc/96/42/53/342964253.db2.gz ZEYPSQGLVLOLLD-UHFFFAOYSA-N 0 0 180.638 2.535 40 0 AFABRN CC1C[C@H](C)[C@H](C)C1 1699408 342960293 /nfs/dbraw/zinc/96/02/93/342960293.db2.gz PNUFYSGVPVMNRN-IEESLHIDSA-N 0 0 112.216 2.689 40 0 AFABRN CC[C@H]1CCC[C@@H]1C 2040163 342968573 /nfs/dbraw/zinc/96/85/73/342968573.db2.gz BSKOLJVTLRLTHE-YUMQZZPRSA-N 0 0 112.216 2.833 40 0 AFABRN CC[C@H](C(C)=O)c1ccccc1 2045630 342969220 /nfs/dbraw/zinc/96/92/20/342969220.db2.gz PJRUAOVJGCVPRC-LLVKDONJSA-N 0 0 162.232 2.769 40 0 AFABRN C[C@H]1C2=C(CCCC2)[C@H](C)C1O 2165614 342970395 /nfs/dbraw/zinc/97/03/95/342970395.db2.gz BSCSIGRAVOTBQV-YUMQZZPRSA-N 0 0 166.264 2.504 40 0 AFABRN CCCC[C@H]1CCCCC1=O 2004389 342966234 /nfs/dbraw/zinc/96/62/34/342966234.db2.gz POYYYXPQBFPUKS-VIFPVBQESA-N 0 0 154.253 2.936 40 0 AFABRN CCc1c(C)cccc1C 2011563 342966465 /nfs/dbraw/zinc/96/64/65/342966465.db2.gz CHIKRULMSSADAF-UHFFFAOYSA-N 0 0 134.222 2.866 40 0 AFABRN Cc1cccc2c1C=CC2 2011674 342966493 /nfs/dbraw/zinc/96/64/93/342966493.db2.gz IRAWLGHJHQBREM-UHFFFAOYSA-N 0 0 130.190 2.564 40 0 AFABRN CCC1(CC)CC1 2015914 342966898 /nfs/dbraw/zinc/96/68/98/342966898.db2.gz VUROAZUCSQPSOK-UHFFFAOYSA-N 0 0 98.189 2.587 40 0 AFABRN CCC1(C)CCCC1 2018300 342966901 /nfs/dbraw/zinc/96/69/01/342966901.db2.gz LETYIFNDQBJGPJ-UHFFFAOYSA-N 0 0 112.216 2.977 40 0 AFABRN Cc1cc(Cl)c2cccc(O)c2n1 2583918 342979081 /nfs/dbraw/zinc/97/90/81/342979081.db2.gz BVZOKIGKGBZTOU-UHFFFAOYSA-N 0 0 193.633 2.902 40 0 AFABRN CCCCN(CC)C(=O)c1ccco1 2735178 342980110 /nfs/dbraw/zinc/98/01/10/342980110.db2.gz MEHIAHYVJLGEHZ-UHFFFAOYSA-N 0 0 195.262 2.542 40 0 AFABRN Cc1cc2cc(N)cc(Cl)c2o1 2538813 342975409 /nfs/dbraw/zinc/97/54/09/342975409.db2.gz RGWQVWFSDFYHRY-UHFFFAOYSA-N 0 0 181.622 2.977 40 0 AFABRN Cc1ccc(C)c(-c2cc(N)on2)c1 3704510 342983803 /nfs/dbraw/zinc/98/38/03/342983803.db2.gz XMHYJUMRVSUPIC-UHFFFAOYSA-N 0 0 188.230 2.541 40 0 AFABRN Cc1ccc([C@H]2CCCC(=O)C2)o1 3851994 342985451 /nfs/dbraw/zinc/98/54/51/342985451.db2.gz IGZFAEOSTUHGIX-VIFPVBQESA-N 0 0 178.231 2.815 40 0 AFABRN Cc1ccc([C@@]2(C)CCCC(=O)C2)o1 3851997 342985458 /nfs/dbraw/zinc/98/54/58/342985458.db2.gz GPZSNZKTXMOIPH-LBPRGKRZSA-N 0 0 192.258 2.989 40 0 AFABRN Cc1cccc2c1OC(C)(C)C2 4289163 342990156 /nfs/dbraw/zinc/99/01/56/342990156.db2.gz OWRJMGJBGSBJHE-UHFFFAOYSA-N 0 0 162.232 2.709 40 0 AFABRN C[C@H]1CC[C@H](C(C)(C)C)[C@H](O)C1 4578231 342993032 /nfs/dbraw/zinc/99/30/32/342993032.db2.gz OLSGPMSPGKZAEI-LPEHRKFASA-N 0 0 170.296 2.830 40 0 AFABRN 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C[C@@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 3845479 168409156 /nfs/dbraw/zinc/40/91/56/168409156.db2.gz IJUHVSZPOHPVLE-RNSXUZJQSA-N 0 0 166.264 2.648 40 0 AFABRN C[C@@H]1C=C[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2C1 95878004 168411192 /nfs/dbraw/zinc/41/11/92/168411192.db2.gz VRLWYYZVFNNMET-XXFSISAASA-N 0 0 146.233 2.631 40 0 AFABRN C[C@@H]1C=C[C@H]2[C@@H](C1)C2(C)C 59588874 168411319 /nfs/dbraw/zinc/41/13/19/168411319.db2.gz LGNSZMLHOYDATP-HRDYMLBCSA-N 0 0 136.238 2.855 40 0 biogenic,in-man AFABRN C[C@@H]1CCC=CN1C(=O)OC(C)(C)C 95634881 168412799 /nfs/dbraw/zinc/41/27/99/168412799.db2.gz RDLOVGLKQIICMT-SECBINFHSA-N 0 0 197.278 2.920 40 0 in-vitro AFABRN C[C@@H]1CCC(C)(C)C1 1699407 168413869 /nfs/dbraw/zinc/41/38/69/168413869.db2.gz OBKHYUIZSOIEPG-SSDOTTSWSA-N 0 0 112.216 2.833 40 0 AFABRN C[C@@H]1CC[C@@H](C)N1c1ccccc1N 8703827 168437659 /nfs/dbraw/zinc/43/76/59/168437659.db2.gz OHABGCYIWHNTLE-NXEZZACHSA-N 0 0 190.290 2.646 40 0 AFABRN C[C@@H]1CCc2cccc(F)c2N1 71479820 168444677 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AWRNNDMJROEECC-JTQLQIEISA-N 0 0 186.254 2.763 40 0 AFABRN C[C@H](O)Cc1ccc2ccccc2c1 34310637 168582107 /nfs/dbraw/zinc/58/21/07/168582107.db2.gz YVOGOZKBNGQERR-JTQLQIEISA-N 0 0 186.254 2.763 40 0 AFABRN C[C@H](O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 20391904 168583432 /nfs/dbraw/zinc/58/34/32/168583432.db2.gz IMFGFUBUTCEIME-BKDNQFJXSA-N 0 0 196.677 2.824 40 0 AFABRN C[C@H](O)[C@@H]1C[C@@H]1c1ccccc1Cl 20391888 168583497 /nfs/dbraw/zinc/58/34/97/168583497.db2.gz PHARQUNQWNHBTG-UJNFCWOMSA-N 0 0 196.677 2.824 40 0 AFABRN C[C@H]1C=CN(C(=O)OC(C)(C)C)CC1 95634883 168592604 /nfs/dbraw/zinc/59/26/04/168592604.db2.gz KTUITLXLOCRTDS-VIFPVBQESA-N 0 0 197.278 2.777 40 0 in-vitro AFABRN C[C@H]1C=C[C@H]2[C@@H](C1)C2(C)C 59587245 168594521 /nfs/dbraw/zinc/59/45/21/168594521.db2.gz LGNSZMLHOYDATP-XHNCKOQMSA-N 0 0 136.238 2.855 40 0 biogenic,in-man AFABRN C[C@H]1CC(C)(C)CC2(C1)OCCCO2 2033467 168595222 /nfs/dbraw/zinc/59/52/22/168595222.db2.gz WMQPHZWRWIPBFD-JTQLQIEISA-N 0 0 198.306 2.966 40 0 AFABRN 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/nfs/dbraw/zinc/51/30/43/582513043.db2.gz GGCTWRMADRLMBN-UHFFFAOYSA-N 0 0 184.651 2.653 40 0 AFABRN CCc1ccc([Si](C)(C)C)cc1 195766525 582652069 /nfs/dbraw/zinc/65/20/69/582652069.db2.gz YRSSMKKBTNQBOY-UHFFFAOYSA-N 0 0 178.351 2.794 40 0 AFABRN CCC[Si](C)(C)C 195762985 582677549 /nfs/dbraw/zinc/67/75/49/582677549.db2.gz WNWMJFBAIXMNOF-UHFFFAOYSA-N 0 0 116.280 2.735 40 0 AFABRN OC[C@@H]1CC[C@@H]1Sc1ccccc1 196024806 582677831 /nfs/dbraw/zinc/67/78/31/582677831.db2.gz ZRBNJKPLWOMSFM-ONGXEEELSA-N 0 0 194.299 2.550 40 0 AFABRN CC(C)=Cc1ccc(O)cc1 3014178 582698160 /nfs/dbraw/zinc/69/81/60/582698160.db2.gz PWYQHEGKOCEHME-UHFFFAOYSA-N 0 0 148.205 2.815 40 0 AFABRN CCc1cc(CC)n(C2CCC2)n1 871942818 583357112 /nfs/dbraw/zinc/35/71/12/583357112.db2.gz ONYTYNMGZRHFKF-UHFFFAOYSA-N 0 0 178.279 2.733 40 0 AFABRN CN(CCF)c1cccc2cc[nH]c12 879344043 583417888 /nfs/dbraw/zinc/41/78/88/583417888.db2.gz MJHSRBQSSAGWQV-UHFFFAOYSA-N 0 0 192.237 2.574 40 0 AFABRN Cc1cc([Si](C)(C)C)ccc1F 195756242 490060592 /nfs/dbraw/zinc/06/05/92/490060592.db2.gz OTLLTGMNHDHDFA-UHFFFAOYSA-N 0 0 182.314 2.679 40 0 AFABRN CC(C)CCOc1ccccc1CO 1695475 491020877 /nfs/dbraw/zinc/02/08/77/491020877.db2.gz GTEGHPBVQPNFEI-UHFFFAOYSA-N 0 0 194.274 2.604 40 0 AFABRN CCCC[Si](C)C 195816735 491040116 /nfs/dbraw/zinc/04/01/16/491040116.db2.gz HHSARRMUXPDGJD-UHFFFAOYSA-N 0 0 115.272 2.541 40 0 AFABRN Clc1cnccc1N1CC=CCC1 307098117 491058492 /nfs/dbraw/zinc/05/84/92/491058492.db2.gz QMMHSRVMJSRINE-UHFFFAOYSA-N 0 0 194.665 2.501 40 0 AFABRN CC/C=C/C/C=C\CCCO 13433458 1188766482 /nfs/dbraw/zinc/76/64/82/1188766482.db2.gz NKODDQZVUPANMP-FDTUMDBZSA-N 0 0 154.253 2.671 40 0 endogenous,in-man AFABRN CCc1ccc2c(c1)CCCC2=O 78224249 1188775854 /nfs/dbraw/zinc/77/58/54/1188775854.db2.gz ARJDKNLLBFEQMO-UHFFFAOYSA-N 0 0 174.243 2.768 40 0 AFABRN COc1ccc(C=O)c(C(C)C)c1 78274843 1188776249 /nfs/dbraw/zinc/77/62/49/1188776249.db2.gz AGVBYJPOCRTSCS-UHFFFAOYSA-N 0 0 178.231 2.631 40 0 AFABRN Cc1ccccc1-c1ccc[nH]1 138473750 1188778528 /nfs/dbraw/zinc/77/85/28/1188778528.db2.gz CHLLMUPYZBJHOS-UHFFFAOYSA-N 0 0 157.216 2.990 40 0 AFABRN Clc1cnc2sccc2c1 142295845 1188778788 /nfs/dbraw/zinc/77/87/88/1188778788.db2.gz GZCVKXAMQPPBES-UHFFFAOYSA-N 0 0 169.636 2.950 40 0 AFABRN Cc1nc2cnc3ccccc3c2o1 147740654 1188779859 /nfs/dbraw/zinc/77/98/59/1188779859.db2.gz YSYRKBVJVBNTPA-UHFFFAOYSA-N 0 0 184.198 2.684 40 0 AFABRN CC(=O)C12CCC(C(C)=O)(CC1)CC2 196673765 1188783196 /nfs/dbraw/zinc/78/31/96/1188783196.db2.gz QWGWYJCQTJJEHN-UHFFFAOYSA-N 0 0 194.274 2.505 40 0 AFABRN CCc1c[nH]c2ccc(Cl)nc12 307007471 1188803206 /nfs/dbraw/zinc/80/32/06/1188803206.db2.gz GQIBUYNAGWLQQC-UHFFFAOYSA-N 0 0 180.638 2.779 40 0 AFABRN