Cn1c2ccccc2n2cc(-c3ccccc3)nc12 ZINC000000034781 02/52/37/344025237 GPFLNEOQVWXLGV-UHFFFAOYSA-N 1 247.301 BG 3.493 2 Anodyne low BGABLO Cn1c2ccccc2n2cc(-c3ccccc3)[nH+]c12 Cn1c2ccccc2n2cc(-c3ccccc3)nc12 ZINC000000034781 02/52/32/344025232 GPFLNEOQVWXLGV-UHFFFAOYSA-N 0 247.301 BG 3.493 0 Anodyne ref BGABRN Cn1c2ccccc2n2cc(-c3ccccc3)nc12 O=C1Nc2ccccc2[C@@H]1Cc1cccs1 ZINC000000137057 26/69/31/384266931 LMYJZLPZMDKYGL-NSHDSACASA-N 0 229.304 BG 3.027 0 Anodyne ref BGAARN O=C1Nc2ccccc2[C@@H]1Cc1cccs1 Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000000143382 42/65/59/387426559 PQEOPHYIUYAVDQ-UHFFFAOYSA-N 0 211.264 BG 3.247 0 Anodyne ref BGAARN Cc1ccc(C(=O)Nc2ccccc2)cc1 CSC1=N/C(=C\c2ccccc2C)C(=O)S1 ZINC000000199170 40/21/20/346402120 DBAXXEARRKRTJB-YFHOEESVSA-N 0 249.36 BG 3.328 0 Mild ref BGEARN CSC1=N/C(=C\c2ccccc2C)C(=O)S1 Cc1cc(C)n(-c2cccc3cccnc23)n1 ZINC000000259178 92/16/94/177921694 BSSICVUIJQVDJZ-UHFFFAOYSA-N 0 223.279 BG 3.037 0 Anodyne ref BGAARN Cc1cc(C)n(-c2cccc3cccnc23)n1 Cc1ccccc1NC(=S)c1ccccn1 ZINC000000298811 30/39/62/179303962 WSUCMIQPNCUDRN-UHFFFAOYSA-N 0 228.32 BG 3.178 0 Anodyne ref BGAARN Cc1ccccc1NC(=S)c1ccccn1 Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1C ZINC000000444116 29/48/43/363294843 OWHXQGNTOCGTQT-OQLLNIDSSA-N -1 228.295 BG 3.098 3 Mild high BGEAHM Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1C Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1C ZINC000000444116 29/48/34/363294834 OWHXQGNTOCGTQT-OQLLNIDSSA-N 0 228.295 BG 3.098 0 Mild ref BGEARN Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1C CSC1=N/C(=C\c2ccc(C)cc2)C(=O)S1 ZINC000000458236 45/58/31/175455831 RZOIKOBXXSZKQT-YFHOEESVSA-N 0 249.36 BG 3.328 0 Mild ref BGEARN CSC1=N/C(=C\c2ccc(C)cc2)C(=O)S1 O=[N+]([O-])/C=C/c1ccc(-c2cccc(F)c2)o1 ZINC000000463332 68/79/23/342687923 PFYGTNSBCINXKS-VOTSOKGWSA-N 0 233.198 BG 3.333 0 Bother ref BGBARN O=[N+]([O-])/C=C/c1ccc(-c2cccc(F)c2)o1 CC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000000586797 30/06/93/259300693 ZJXQWYZBPKDYLS-UHFFFAOYSA-N 0 239.274 BG 3.142 0 Anodyne ref BGAARN CC(=O)c1ccc(NC(=O)c2ccccc2)cc1 Cc1csc(N2CCc3ccccc32)n1 ZINC000000616054 42/04/03/346420403 MOJSNJDAVCXHMW-UHFFFAOYSA-N 0 216.309 BG 3.146 0 Anodyne ref BGAARN Cc1csc(N2CCc3ccccc32)n1 N#Cc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1 ZINC000000794902 09/53/59/181095359 KASWXPQQAPAREP-BQYQJAHWSA-N 0 240.218 BG 3.066 0 Mild ref BGEARN N#Cc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1 O=C1/C(=N\c2ccccc2)Nc2ccccc21 ZINC000000977269 71/36/77/182713677 VIKJXYCUPWWIJP-UHFFFAOYSA-N 0 222.247 BG 3.025 0 Mild ref BGEARN O=C1C(Nc2ccccc2)=Nc2ccccc21 Clc1ccc(-c2nnc3ccccn23)cc1 ZINC000001427190 70/06/72/342700672 LWWVUFZFJIKOCX-UHFFFAOYSA-N 0 229.67 BG 3.05 0 Anodyne ref BGAARN Clc1ccc(-c2nnc3ccccn23)cc1 Cc1ccccc1NC(=O)c1cccnc1Cl ZINC000002742682 30/30/49/179303049 NWVSQXIKMLXTOI-UHFFFAOYSA-N 0 246.697 BG 3.296 0 Anodyne ref BGAARN Cc1ccccc1NC(=O)c1cccnc1Cl CC[C@@H](C)c1ccc(NC(=S)NC)cc1 ZINC000002884148 80/44/98/170804498 AWANUZFXCPEGRU-SECBINFHSA-N 0 222.357 BG 3.116 0 Anodyne ref BGAARN CC[C@@H](C)c1ccc(NC(=S)NC)cc1 CC[C@H](C)c1ccc(NC(=S)NC)cc1 ZINC000002884149 41/07/40/171410740 AWANUZFXCPEGRU-VIFPVBQESA-N 0 222.357 BG 3.116 0 Anodyne ref BGAARN CC[C@H](C)c1ccc(NC(=S)NC)cc1 O=C1Nc2ccccc2/C1=C/C=C/c1ccco1 ZINC000003656746 61/14/61/388611461 ZNKMPOJVPAURIK-AHESBMIYSA-N 0 237.258 BG 3.329 0 Anodyne ref BGAARN O=C1Nc2ccccc2/C1=C/C=C/c1ccco1 Cc1ccccc1Nc1ccc([N+](=O)[O-])cn1 ZINC000004091990 30/82/00/179308200 DAAROKLZNHNIST-UHFFFAOYSA-N 0 229.239 BG 3.042 0 Bother ref BGBARN Cc1ccccc1Nc1ccc([N+](=O)[O-])cn1 Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000004535933 38/98/84/384389884 ONTZDECKXDXHIZ-UHFFFAOYSA-N 0 230.223 BG 3.091 0 Bother ref BGBARN Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 Cc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000004535934 15/91/88/179159188 NPVNREXWYAALLF-UHFFFAOYSA-N 0 229.239 BG 3.042 0 Bother ref BGBARN Cc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1 CSC1=N/C(=C\c2ccccc2)C(=O)S1 ZINC000004755161 00/16/89/385001689 QDIDVJWEDQMFGU-CLFYSBASSA-N 0 235.333 BG 3.02 0 Mild ref BGEARN CSC1=N/C(=C\c2ccccc2)C(=O)S1 CSC1=N/C(=C\c2cccs2)C(=O)S1 ZINC000004755285 45/59/17/175455917 PWBDWFXSCBZJPH-ALCCZGGFSA-N 0 241.362 BG 3.081 0 Mild ref BGEARN CSC1=N/C(=C\c2cccs2)C(=O)S1 CC(=O)c1sc(-c2ccccc2F)nc1C ZINC000004842404 49/20/71/166492071 MHEWBMAPHQDNDQ-UHFFFAOYSA-N 0 235.283 BG 3.46 0 Anodyne ref BGAARN CC(=O)c1sc(-c2ccccc2F)nc1C C(=N/Nc1cccc2cccnc12)\c1ccncc1 ZINC000005008816 22/98/90/166229890 YJHNFNNQFNSWNZ-WOJGMQOQSA-N 0 248.289 BG 3.076 0 Mild ref BGEARN C(=NNc1cccc2cccnc12)c1ccncc1 C(=N/Nc1cccc2cccnc12)\c1ccccn1 ZINC000005009637 23/00/35/166230035 OWNBHZAKTGCIQZ-WOJGMQOQSA-N 0 248.289 BG 3.076 0 Mild ref BGEARN C(=NNc1cccc2cccnc12)c1ccccn1 C(/C=C/c1ccccc1)=N/Nc1ccccn1 ZINC000005856701 22/54/74/166225474 CITCEBRFNSOUAT-FLIHGVEMSA-N 0 223.279 BG 3.193 0 Mild ref BGEARN C(=CN=Nc1ccccn1)Cc1ccccc1 Cc1cccc(C[C@H]2C(=O)Nc3ccccc32)c1 ZINC000008673611 10/62/99/179106299 RPTSFSJBJOWBBY-CQSZACIVSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1cccc(C[C@H]2C(=O)Nc3ccccc32)c1 CC(=O)Nc1ccc(/N=C/c2cccs2)cc1 ZINC000012364336 25/05/50/187250550 KFDIFHMVTBZNHH-NTEUORMPSA-N 0 244.319 BG 3.457 0 Mild ref BGEARN CC(=O)Nc1ccc(/N=C/c2cccs2)cc1 Cn1cccc1/C=C(\C#N)c1ccc(F)cc1 ZINC000012483520 93/57/71/269935771 UADFYWYIQQGCFI-FMIVXFBMSA-N 0 226.254 BG 3.228 0 Reactive ref BGGARN Cn1cccc1/C=C(\C#N)c1ccc(F)cc1 CCCCN(C)CC(=O)c1c[nH]c2ccccc12 ZINC000013362231 86/64/24/342866424 IJAHTDNUGPKZRC-UHFFFAOYSA-N 0 244.338 BG 3.083 1 Anodyne mid BGAAMN CCCCN(C)CC(=O)c1c[nH]c2ccccc12 CCCCN(C)CC(=O)c1c[nH]c2ccccc12 ZINC000013362231 86/64/23/342866423 IJAHTDNUGPKZRC-UHFFFAOYSA-N 0 244.338 BG 3.083 1 Anodyne mid BGAAMN CCCC[N@@H+](C)CC(=O)c1c[nH]c2ccccc12 CCCCN(C)CC(=O)c1c[nH]c2ccccc12 ZINC000013362231 86/64/19/342866419 IJAHTDNUGPKZRC-UHFFFAOYSA-N 1 244.338 BG 3.083 0 Anodyne ref BGAARO CCCC[N@H+](C)CC(=O)c1c[nH]c2ccccc12 O=[N+]([O-])c1ccc(/C=C/c2ccccn2)cc1 ZINC000013562371 57/40/68/343574068 RBWIGCZMJZUUCB-QPJJXVBHSA-N 0 226.235 BG 3.16 0 Bother ref BGBARN O=[N+]([O-])c1ccc(/C=C/c2ccccn2)cc1 CCCSc1nnc2c(n1)[nH]c1ccccc12 ZINC000015015538 34/21/99/169342199 CVDJXTTTXAPJJJ-UHFFFAOYSA-N 0 244.323 BG 3.008 0 Anodyne ref BGAARN CCCSc1nnc2c(n1)[nH]c1ccccc12 O=c1cc(/C=C/c2ccco2)[nH]c2ccccc12 ZINC000015016882 89/05/99/342890599 YBPOLKAPAQAKEG-BQYQJAHWSA-N 0 237.258 BG 3.292 0 Anodyne ref BGAARN O=c1cc(C=Cc2ccco2)[nH]c2ccccc12 Cc1ccc2c(c1)[C@@H](Cc1cccs1)C(=O)N2 ZINC000015017068 89/06/74/342890674 RNIBCZOOLFHTQO-GFCCVEGCSA-N 0 243.331 BG 3.335 0 Anodyne ref BGAARN Cc1ccc2c(c1)[C@@H](Cc1cccs1)C(=O)N2 Cc1ccc2c(c1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000015017070 89/06/09/342890609 ULGWCINFMRHPTH-AWEZNQCLSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1ccc2c(c1)[C@H](Cc1ccccc1)C(=O)N2 O=C1Nc2ccccc2[C@@H]1Cc1ccccc1F ZINC000015017122 41/39/82/384413982 FYRXYFBKFLKHMC-LBPRGKRZSA-N 0 241.265 BG 3.104 0 Anodyne ref BGAARN O=C1Nc2ccccc2[C@@H]1Cc1ccccc1F O=C1Nc2ccccc2[C@@H]1Cc1ccc(F)cc1 ZINC000015017135 41/60/64/384416064 MOKMYOLLKFQNBE-ZDUSSCGKSA-N 0 241.265 BG 3.104 0 Anodyne ref BGAARN O=C1Nc2ccccc2[C@@H]1Cc1ccc(F)cc1 O=C1Nc2ccccc2[C@H]1Cc1ccsc1 ZINC000015017164 58/19/65/385581965 AITFTDVVQJMREL-LLVKDONJSA-N 0 229.304 BG 3.027 0 Anodyne ref BGAARN O=C1Nc2ccccc2[C@H]1Cc1ccsc1 Cc1ccccc1C[C@H]1C(=O)Nc2ccccc21 ZINC000015017174 29/20/56/179292056 NCWGPVOZLIAOMZ-CQSZACIVSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1ccccc1C[C@H]1C(=O)Nc2ccccc21 Cc1ccc(C[C@H]2C(=O)Nc3ccccc32)s1 ZINC000015017256 89/07/10/342890710 FACVYCPOIZZUSS-GFCCVEGCSA-N 0 243.331 BG 3.335 0 Anodyne ref BGAARN Cc1ccc(C[C@H]2C(=O)Nc3ccccc32)s1 c1ccc2c(Cc3ccncc3)c[nH]c2c1 ZINC000015017326 41/50/40/384415040 FJSLZLOJFONXCF-UHFFFAOYSA-N 0 208.264 BG 3.154 0 Anodyne ref BGAARN c1ccc2c(Cc3ccncc3)c[nH]c2c1 Cc1cccc2c1NC(=O)[C@H]2Cc1ccccc1 ZINC000015017445 22/02/67/179220267 KLXCSRANBKMGRR-AWEZNQCLSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1cccc2c1NC(=O)[C@H]2Cc1ccccc1 Cc1ccsc1C[C@H]1C(=O)Nc2ccccc21 ZINC000015017677 89/06/16/342890616 NKPSCNRVZRPVHT-LLVKDONJSA-N 0 243.331 BG 3.335 0 Anodyne ref BGAARN Cc1ccsc1C[C@H]1C(=O)Nc2ccccc21 CN1C(=O)[C@H](Cc2cccs2)c2ccccc21 ZINC000015017748 97/25/95/172972595 JPOBBUUVQQPACV-GFCCVEGCSA-N 0 243.331 BG 3.051 0 Anodyne ref BGAARN CN1C(=O)[C@H](Cc2cccs2)c2ccccc21 Cc1ccc(C[C@H]2C(=O)Nc3ccccc32)cc1 ZINC000015017869 89/06/15/342890615 VKOVVCXUVOPKHG-CQSZACIVSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1ccc(C[C@H]2C(=O)Nc3ccccc32)cc1 Cc1cccc2c1NC(=O)[C@@H]2Cc1cccs1 ZINC000015017886 22/02/51/179220251 UQFCIPYRAXKIHW-GFCCVEGCSA-N 0 243.331 BG 3.335 0 Anodyne ref BGAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1cccs1 O=C1Nc2ccc(Cl)cc2[C@H]1Cc1ccco1 ZINC000015017900 82/31/36/182823136 DSUISYPRZLYUMW-LLVKDONJSA-N 0 247.681 BG 3.211 0 Anodyne ref BGAARN O=C1Nc2ccc(Cl)cc2[C@H]1Cc1ccco1 Cc1cc(C)c2c(c1)[C@H](Cc1ccco1)C(=O)N2 ZINC000015017907 89/06/97/342890697 XWNRGKRMXWFKCY-ZDUSSCGKSA-N 0 241.29 BG 3.175 0 Anodyne ref BGAARN Cc1cc(C)c2c(c1)[C@H](Cc1ccco1)C(=O)N2 COc1ccc2oc(-c3ccc(N)cc3)nc2c1 ZINC000016227810 23/07/35/175230735 QSKXKLMCGRPBSH-UHFFFAOYSA-N 0 240.262 BG 3.086 0 Anodyne ref BGAARN COc1ccc2oc(-c3ccc(N)cc3)nc2c1 Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000016478004 30/76/00/259307600 SXOFMEWDEKEVJU-UHFFFAOYSA-N 0 235.29 BG 3.122 0 Anodyne ref BGAARN Nc1cc(-c2ccccc2)nn1-c1ccccc1 Clc1ccc(/C=N\Nc2ccccn2)cc1 ZINC000034719044 27/80/20/343278020 UJJDNCIXHPXARW-DHDCSXOGSA-N 0 231.686 BG 3.181 1 Mild mid BGEAMN Clc1ccc(C=NNc2ccccn2)cc1 Clc1ccc(/C=N\Nc2ccccn2)cc1 ZINC000034719044 27/80/19/343278019 UJJDNCIXHPXARW-DHDCSXOGSA-N 0 231.686 BG 3.181 0 Mild ref BGEARN Clc1ccc(CN=Nc2ccccn2)cc1 COc1ccc(-c2csc3nccn23)cc1F ZINC000038534720 03/77/16/175037716 HDVXSDQIAMBOOW-UHFFFAOYSA-N 0 248.282 BG 3.211 0 Anodyne ref BGAARN COc1ccc(-c2csc3nccn23)cc1F S=c1nc(-c2ccccc2)nc2sccn12 ZINC000038534769 31/49/91/183314991 ZDDOXKPEYQZNGR-UHFFFAOYSA-N 0 245.332 BG 3.187 0 Anodyne ref BGAARN S=c1nc(-c2ccccc2)nc2sccn12 Cc1cccc(C[C@@H]2C(=O)Nc3ccccc32)c1 ZINC000095544256 10/46/95/179104695 RPTSFSJBJOWBBY-AWEZNQCLSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1cccc(C[C@@H]2C(=O)Nc3ccccc32)c1 Cc1ccc2c(c1)[C@H](Cc1cccs1)C(=O)N2 ZINC000096822476 48/03/48/384480348 RNIBCZOOLFHTQO-LBPRGKRZSA-N 0 243.331 BG 3.335 0 Anodyne ref BGAARN Cc1ccc2c(c1)[C@H](Cc1cccs1)C(=O)N2 O=C1Nc2ccc(Cl)cc2[C@@H]1Cc1ccco1 ZINC000096822480 47/99/14/384479914 DSUISYPRZLYUMW-NSHDSACASA-N 0 247.681 BG 3.211 0 Anodyne ref BGAARN O=C1Nc2ccc(Cl)cc2[C@@H]1Cc1ccco1 Cc1cccc(-n2c(C)cc(/C=N/O)c2C)c1 ZINC000096900794 99/99/07/178999907 YBPSQTGOFKLHOX-OQLLNIDSSA-N 0 228.295 BG 3.211 0 Mild ref BGEARN Cc1cccc(-n2c(C)cc(/C=N/O)c2C)c1 O=C1Nc2ccccc2[C@H]1Cc1cccs1 ZINC000100242862 29/76/78/384297678 LMYJZLPZMDKYGL-LLVKDONJSA-N 0 229.304 BG 3.027 0 Anodyne ref BGAARN O=C1Nc2ccccc2[C@H]1Cc1cccs1 O=C1CC(c2ccccc2)=Nc2ccccc2N1 ZINC000100573880 72/05/02/182720502 SRZDVYZVEYALFB-UHFFFAOYSA-N 0 236.274 BG 3.15 0 Anodyne ref BGAARN O=C1CC(c2ccccc2)=Nc2ccccc2N1 CN1C(=O)[C@@H](Cc2cccs2)c2ccccc21 ZINC000101013925 66/21/31/384662131 JPOBBUUVQQPACV-LBPRGKRZSA-N 0 243.331 BG 3.051 0 Anodyne ref BGAARN CN1C(=O)[C@@H](Cc2cccs2)c2ccccc21 Cc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1 ZINC000101013955 64/87/75/178648775 VKOVVCXUVOPKHG-AWEZNQCLSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1 Cc1cccc2c1NC(=O)[C@H]2Cc1cccs1 ZINC000101014545 22/02/43/179220243 UQFCIPYRAXKIHW-LBPRGKRZSA-N 0 243.331 BG 3.335 0 Anodyne ref BGAARN Cc1cccc2c1NC(=O)[C@H]2Cc1cccs1 Cc1cc(C)c2c(c1)[C@@H](Cc1ccco1)C(=O)N2 ZINC000101015053 88/25/57/177882557 XWNRGKRMXWFKCY-CYBMUJFWSA-N 0 241.29 BG 3.175 0 Anodyne ref BGAARN Cc1cc(C)c2c(c1)[C@@H](Cc1ccco1)C(=O)N2 Cc1ccccc1C[C@@H]1C(=O)Nc2ccccc21 ZINC000101016017 28/99/04/179289904 NCWGPVOZLIAOMZ-AWEZNQCLSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1ccccc1C[C@@H]1C(=O)Nc2ccccc21 Cc1ccc2c(c1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000101016053 66/19/52/384661952 ULGWCINFMRHPTH-CQSZACIVSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1ccc2c(c1)[C@@H](Cc1ccccc1)C(=O)N2 O=C1Nc2ccccc2[C@H]1Cc1ccc(F)cc1 ZINC000101016062 82/60/72/182826072 MOKMYOLLKFQNBE-CYBMUJFWSA-N 0 241.265 BG 3.104 0 Anodyne ref BGAARN O=C1Nc2ccccc2[C@H]1Cc1ccc(F)cc1 Cc1ccc(C[C@@H]2C(=O)Nc3ccccc32)s1 ZINC000101016489 66/13/90/384661390 FACVYCPOIZZUSS-LBPRGKRZSA-N 0 243.331 BG 3.335 0 Anodyne ref BGAARN Cc1ccc(C[C@@H]2C(=O)Nc3ccccc32)s1 Cc1ccsc1C[C@@H]1C(=O)Nc2ccccc21 ZINC000101016562 66/06/47/384660647 NKPSCNRVZRPVHT-NSHDSACASA-N 0 243.331 BG 3.335 0 Anodyne ref BGAARN Cc1ccsc1C[C@@H]1C(=O)Nc2ccccc21 Cc1cccc2c1NC(=O)[C@@H]2Cc1ccccc1 ZINC000101016585 21/92/74/179219274 KLXCSRANBKMGRR-CQSZACIVSA-N 0 237.302 BG 3.273 0 Anodyne ref BGAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1ccccc1 O=C1Nc2ccccc2[C@H]1Cc1ccccc1F ZINC000101016671 66/14/02/384661402 FYRXYFBKFLKHMC-GFCCVEGCSA-N 0 241.265 BG 3.104 0 Anodyne ref BGAARN O=C1Nc2ccccc2[C@H]1Cc1ccccc1F O=C1Nc2ccccc2[C@@H]1Cc1ccsc1 ZINC000101016675 37/01/83/384370183 AITFTDVVQJMREL-NSHDSACASA-N 0 229.304 BG 3.027 0 Anodyne ref BGAARN O=C1Nc2ccccc2[C@@H]1Cc1ccsc1