NS(=O)(=O)c1ccc(C(=O)O)cc1	ZINC000000001099	83/56/86/355835686	UCAGLBKTLXCODC-UHFFFAOYSA-N	-1	201.203	BC	0.032	0	Anodyne	ref	BCAARM	NS(=O)(=O)c1ccc(C(=O)[O-])cc1	world
NS(=O)(=O)Cc1noc2ccccc12	ZINC000000004321	66/95/49/342669549	UBQNRHZMVUUOMG-UHFFFAOYSA-N	0	212.23	BC	0.616	0	Anodyne	ref	BCAARN	NS(=O)(=O)Cc1noc2ccccc12	fda
Cn1c(N2CCNCC2)nc2ccccc21	ZINC000000005586	66/95/03/342669503	XBTIVKKHGCXLGP-UHFFFAOYSA-N	0	216.288	BC	0.983	3	Anodyne	high	BCAAHN	Cn1c(N2CCNCC2)nc2ccccc21	 
Cn1c(N2CCNCC2)nc2ccccc21	ZINC000000005586	66/95/00/342669500	XBTIVKKHGCXLGP-UHFFFAOYSA-N	1	216.288	BC	0.983	0	Anodyne	ref	BCAARO	Cn1c(N2CC[NH2+]CC2)nc2ccccc21	 
CN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cccnc1	ZINC000000032343	96/59/37/172965937	DEYLVDCFTICBTB-WPRPVWTQSA-N	-1	220.228	BC	0.686	0	Anodyne	ref	BCAARM	CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1cccnc1	in-vitro
CN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cccnc1	ZINC000000032344	67/04/20/342670420	DEYLVDCFTICBTB-SCZZXKLOSA-N	-1	220.228	BC	0.686	0	Anodyne	ref	BCAARM	CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cccnc1	 
CN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccnc1	ZINC000000032345	96/56/39/172965639	DEYLVDCFTICBTB-WCBMZHEXSA-N	-1	220.228	BC	0.686	0	Anodyne	ref	BCAARM	CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cccnc1	 
CN1C(=O)C[C@@H](C(=O)O)[C@H]1c1cccnc1	ZINC000000032346	67/04/56/342670456	DEYLVDCFTICBTB-PSASIEDQSA-N	-1	220.228	BC	0.686	0	Anodyne	ref	BCAARM	CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1cccnc1	 
COC(=O)c1c(Br)cnn1C	ZINC000000035730	81/87/54/383818754	XOGHZBXSBLBJHQ-UHFFFAOYSA-N	0	219.038	BC	0.969	0	Anodyne	ref	BCAARN	COC(=O)c1c(Br)cnn1C	 
Cn1cc(Br)c(C(=O)O)n1	ZINC000000035821	27/22/32/188272232	LEEPGDCCHVRYHK-UHFFFAOYSA-N	-1	205.011	BC	0.881	0	Anodyne	ref	BCAARM	Cn1cc(Br)c(C(=O)[O-])n1	 
Cn1ncc(Br)c1C(=O)O	ZINC000000035822	67/06/51/342670651	YXIJCAVZGBGUKM-UHFFFAOYSA-N	-1	205.011	BC	0.881	0	Anodyne	ref	BCAARM	Cn1ncc(Br)c1C(=O)[O-]	 
CCOC(=O)c1c(N)sc(C(N)=O)c1C	ZINC000000035841	28/93/09/170289309	KZNNKLUXBNFFLZ-UHFFFAOYSA-N	0	228.273	BC	0.914	0	Anodyne	ref	BCAARN	CCOC(=O)c1c(N)sc(C(N)=O)c1C	 
O=C(O)CS(=O)(=O)c1ccccc1	ZINC000000039685	81/95/16/383819516	YTEFAALYDTWTLB-UHFFFAOYSA-N	-1	200.215	BC	0.545	0	Anodyne	ref	BCAARM	O=C([O-])CS(=O)(=O)c1ccccc1	 
CSc1nnc(C(C)(C)C)c(=O)n1N	ZINC000000039744	67/10/73/342671073	FOXFZRUHNHCZPX-UHFFFAOYSA-N	0	214.294	BC	0.372	0	Anodyne	ref	BCAARN	CSc1nnc(C(C)(C)C)c(=O)n1N	in-vitro
CN1CCN(C(=O)c2ccccc2N)CC1	ZINC000000045771	07/29/72/173072972	PEIXOOFVMXCCCT-UHFFFAOYSA-N	1	219.288	BC	0.656	1	Anodyne	mid	BCAAMO	C[NH+]1CCN(C(=O)c2ccccc2N)CC1	 
CN1CCN(C(=O)c2ccccc2N)CC1	ZINC000000045771	07/29/69/173072969	PEIXOOFVMXCCCT-UHFFFAOYSA-N	0	219.288	BC	0.656	0	Anodyne	ref	BCAARN	CN1CCN(C(=O)c2ccccc2N)CC1	 
NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1	ZINC000000051176	29/75/86/181297586	BLWRWONDAJQQRL-UHFFFAOYSA-N	0	216.196	BC	0.215	0	Anodyne	ref	BCAARN	NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1	 
Nc1cc(C(=O)O)ccc1N1CCOCC1	ZINC000000051569	31/26/80/132312680	YXQFQHYAVDIHNM-UHFFFAOYSA-N	-1	222.244	BC	0.804	0	Anodyne	ref	BCAARM	Nc1cc(C(=O)[O-])ccc1N1CCOCC1	 
NS(=O)(=O)c1cc(C(=O)O)ccc1F	ZINC000000051587	67/17/40/342671740	NGBMRUQCUCRKQN-UHFFFAOYSA-N	-1	219.193	BC	0.171	0	Anodyne	ref	BCAARM	NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	 
NNc1nnc2c(n1)[nH]c1ccccc12	ZINC000000053158	67/17/36/342671736	YLPMAXDBFIGJGF-UHFFFAOYSA-N	0	200.205	BC	0.792	2	Anodyne	low	BCAALN	NNc1[n-]c2nc3ccccc3c-2n[nH+]1	 
NNc1nnc2c(n1)[nH]c1ccccc12	ZINC000000053158	67/17/35/342671735	YLPMAXDBFIGJGF-UHFFFAOYSA-N	-1	200.205	BC	0.792	0	Anodyne	ref	BCAARM	NNc1nnc2c3ccccc3nc-2[n-]1	 
COc1cc(C=O)ccc1OCC(=O)O	ZINC000000054592	67/15/51/342671551	GRMPBSIGDVNLKQ-UHFFFAOYSA-N	-1	210.185	BC	0.971	0	Anodyne	ref	BCAARM	COc1cc(C=O)ccc1OCC(=O)[O-]	 
COC(=O)c1ccccc1S(N)(=O)=O	ZINC000000056588	90/04/59/173900459	VSOOBQALJVLTBH-UHFFFAOYSA-N	0	215.23	BC	0.121	0	Anodyne	ref	BCAARN	COC(=O)c1ccccc1S(N)(=O)=O	in-vivo
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	ZINC000000057001	67/20/04/342672004	FAKRSMQSSFJEIM-RQJHMYQMSA-N	-1	217.29	BC	0.628	0	Mild	ref	BCEARM	C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-]	fda
COC(=O)c1cc(N)cc(C(=O)OC)c1	ZINC000000057151	82/18/20/383821820	DEKPYXUDJRABNK-UHFFFAOYSA-N	0	209.201	BC	0.842	0	Anodyne	ref	BCAARN	COC(=O)c1cc(N)cc(C(=O)OC)c1	 
O=C(O)[C@H]1CC(=O)N(c2ccc(O)cc2)C1	ZINC000000078069	53/12/85/182531285	BJEYOPOUMSTVNI-ZETCQYMHSA-N	-1	221.212	BC	0.83	0	Anodyne	ref	BCAARM	O=C([O-])[C@H]1CC(=O)N(c2ccc(O)cc2)C1	 
O=C(O)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1	ZINC000000078071	50/71/75/182507175	BJEYOPOUMSTVNI-SSDOTTSWSA-N	-1	221.212	BC	0.83	0	Anodyne	ref	BCAARM	O=C([O-])[C@@H]1CC(=O)N(c2ccc(O)cc2)C1	 
COC(=O)c1sccc1N1C(=O)C=CC1=O	ZINC000000081922	67/33/11/342673311	HPNPTFJOBHCYCJ-UHFFFAOYSA-N	0	237.236	BC	0.964	0	Anodyne	ref	BCAARN	COC(=O)c1sccc1N1C(=O)C=CC1=O	 
Brc1cnc(N2CCNCC2)nc1	ZINC000000083576	97/66/12/532976612	YHWLBBPOKRHVAR-UHFFFAOYSA-N	0	243.108	BC	0.649	3	Anodyne	high	BCAAHN	Brc1cnc(N2CCNCC2)nc1	 
Brc1cnc(N2CCNCC2)nc1	ZINC000000083576	97/65/98/532976598	YHWLBBPOKRHVAR-UHFFFAOYSA-N	1	243.108	BC	0.649	0	Anodyne	ref	BCAARO	Brc1cnc(N2CC[NH2+]CC2)nc1	 
O=C(O)Cn1cc(C(F)(F)F)ccc1=O	ZINC000000084673	82/45/09/383824509	PZNZKQDJXMHRPL-UHFFFAOYSA-N	-1	221.134	BC	0.952	0	Anodyne	ref	BCAARM	O=C([O-])Cn1cc(C(F)(F)F)ccc1=O	 
Nc1cc(=O)[nH]c(=O)n1-c1ccc(Cl)cc1	ZINC000000085288	67/36/49/342673649	UUADWYZGUGMKLK-UHFFFAOYSA-N	0	237.646	BC	0.761	0	Anodyne	ref	BCAARN	Nc1cc(=O)[nH]c(=O)n1-c1ccc(Cl)cc1	 
O=C(O)c1ccc(N2C(=O)C=CC2=O)cc1	ZINC000000085839	56/76/78/182567678	LKUOJDGRNKVVFF-UHFFFAOYSA-N	-1	217.18	BC	0.814	0	Anodyne	ref	BCAARM	O=C([O-])c1ccc(N2C(=O)C=CC2=O)cc1	 
Cn1nc(C(=O)O)c2ccccc2c1=O	ZINC000000089545	82/43/65/383824365	ZUEDIBGIVDXMLP-UHFFFAOYSA-N	-1	204.185	BC	0.632	0	Anodyne	ref	BCAARM	Cn1nc(C(=O)[O-])c2ccccc2c1=O	 
O=C(O)CN1CC(=O)Oc2ccccc21	ZINC000000091018	31/25/17/132312517	FYMAUNOZQOLGTF-UHFFFAOYSA-N	-1	207.185	BC	0.497	0	Anodyne	ref	BCAARM	O=C([O-])CN1CC(=O)Oc2ccccc21	 
O=C(O)CCN1C(=O)c2ccccc2C1=O	ZINC000000091964	82/30/47/383823047	DXXHRZUOTPMGEH-UHFFFAOYSA-N	-1	219.196	BC	0.757	0	Anodyne	ref	BCAARM	O=C([O-])CCN1C(=O)c2ccccc2C1=O	 
Nc1cc(N)nc(SCCC(=O)O)n1	ZINC000000092200	67/40/03/342674003	SNSWUZLQZIBOIP-UHFFFAOYSA-N	-1	214.25	BC	0.208	1	Anodyne	mid	BCAAMM	Nc1cc(N)nc(SCCC(=O)[O-])n1	 
Nc1cc(N)nc(SCCC(=O)O)n1	ZINC000000092200	67/40/01/342674001	SNSWUZLQZIBOIP-UHFFFAOYSA-N	0	214.25	BC	0.208	0	Anodyne	ref	BCAARN	Nc1cc(N)[nH+]c(SCCC(=O)[O-])n1	 
Cn1nc(CC(=O)O)c2ccccc2c1=O	ZINC000000092804	80/46/45/180804645	FJIQQZXHNOTAEI-UHFFFAOYSA-N	-1	218.212	BC	0.561	0	Anodyne	ref	BCAARM	Cn1nc(CC(=O)[O-])c2ccccc2c1=O	 
Cc1ccn2c(=O)c(C(=O)O)cnc2c1	ZINC000000093641	82/77/54/383827754	VXWGYFKVZCOYCT-UHFFFAOYSA-N	-1	204.185	BC	0.701	0	Anodyne	ref	BCAARM	Cc1ccn2c(=O)c(C(=O)[O-])cnc2c1	 
COC(=O)c1ccccc1N1C(=O)C=CC1=O	ZINC000000097854	67/43/32/342674332	LCWKOBRYDWGUOQ-UHFFFAOYSA-N	0	231.207	BC	0.903	0	Anodyne	ref	BCAARN	COC(=O)c1ccccc1N1C(=O)C=CC1=O	 
O[C@H]1COCc2nc3ccccc3n2C1	ZINC000000099446	24/63/89/183246389	XRPGEEYBQKPKSC-MRVPVSSYSA-N	0	204.229	BC	0.927	0	Anodyne	ref	BCAARN	O[C@H]1COCc2nc3ccccc3n2C1	 
O[C@@H]1COCc2nc3ccccc3n2C1	ZINC000000099448	21/16/77/183211677	XRPGEEYBQKPKSC-QMMMGPOBSA-N	0	204.229	BC	0.927	0	Anodyne	ref	BCAARN	O[C@@H]1COCc2nc3ccccc3n2C1	 
O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1	ZINC000000105301	08/14/96/358081496	ARCGXLSVLAOJQL-UHFFFAOYSA-N	-3	210.141	BC	0.781	0	Anodyne	ref	BCAARL	O=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1	in-vitro
O=C(O)CCN1C(=O)c2ccncc2C1=O	ZINC000000105591	44/42/01/182444201	RTBDUTALJIAXHT-UHFFFAOYSA-N	-1	220.184	BC	0.152	0	Anodyne	ref	BCAARM	O=C([O-])CCN1C(=O)c2ccncc2C1=O	 
CC(=O)C[C@]1(O)C(=O)N(C)c2ccccc21	ZINC000000107604	82/79/35/383827935	XAVUSUJIDHHQOA-GFCCVEGCSA-N	0	219.24	BC	0.83	0	Anodyne	ref	BCAARN	CC(=O)C[C@]1(O)C(=O)N(C)c2ccccc21	 
CC(=O)C[C@@]1(O)C(=O)N(C)c2ccccc21	ZINC000000107606	67/47/99/342674799	XAVUSUJIDHHQOA-LBPRGKRZSA-N	0	219.24	BC	0.83	0	Anodyne	ref	BCAARN	CC(=O)C[C@@]1(O)C(=O)N(C)c2ccccc21	 
CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C	ZINC000000113446	60/96/22/170609622	HJLSLZFTEKNLFI-UHFFFAOYSA-N	0	247.276	BC	0.534	0	Bother	ref	BCBARN	CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C	fda
O=C(O)/C=C/C(=O)NCc1ccccc1	ZINC000000114248	67/51/62/342675162	BHWGQIYJCMMSNM-VOTSOKGWSA-N	-1	205.213	BC	0.944	0	Anodyne	ref	BCAARM	O=C([O-])/C=C/C(=O)NCc1ccccc1	 
O=C(O)c1c[nH]c2c(C(=O)O)cccc2c1=O	ZINC000000117354	67/53/13/342675313	YYLVBIBWUBXXRA-UHFFFAOYSA-N	-2	233.179	BC	0.924	0	Anodyne	ref	BCAARL	O=C([O-])c1c[nH]c2c(C(=O)[O-])cccc2c1=O	 
O=C(O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1	ZINC000000117358	67/54/25/342675425	RRVYECNSCSEVEW-UHFFFAOYSA-N	-2	233.179	BC	0.924	1	Anodyne	mid	BCAAML	O=C([O-])c1ccc2ncc(C(=O)[O-])c(O)c2c1	 
O=C(O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1	ZINC000000117358	67/54/24/342675424	RRVYECNSCSEVEW-UHFFFAOYSA-N	-2	233.179	BC	0.924	0	Anodyne	ref	BCAARL	O=C([O-])c1ccc2[nH]cc(C(=O)[O-])c(=O)c2c1	 
COC(=O)c1ccc(C(=O)OC)c(N)c1	ZINC000000119878	83/11/33/383831133	DSSKDXUDARIMTR-UHFFFAOYSA-N	0	209.201	BC	0.842	0	Anodyne	ref	BCAARN	COC(=O)c1ccc(C(=O)OC)c(N)c1	 
Nc1ccc(C(=O)NCCC(=O)O)cc1	ZINC000000120074	70/13/51/181701351	VHAXWROFYVPXMZ-UHFFFAOYSA-N	-1	208.217	BC	0.473	0	Anodyne	ref	BCAARM	Nc1ccc(C(=O)NCCC(=O)[O-])cc1	world
COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC	ZINC000000120622	01/88/73/175018873	KWNQIIMVPSMYEM-UHFFFAOYSA-N	0	222.2	BC	0.234	0	Anodyne	ref	BCAARN	COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC	 
Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000128959	67/61/48/342676148	FTKHPQFFQRKOJC-UHFFFAOYSA-N	0	242.3	BC	0.29	0	Anodyne	ref	BCAARN	Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000000134154	67/62/78/342676278	QMKJOZVQZBJSEC-UHFFFAOYSA-N	0	217.228	BC	0.167	0	Anodyne	ref	BCAARN	Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1	in-vitro
CC1(C)CC2(CC(C)(C)NC(=O)N2)NC(=O)N1	ZINC000000134161	83/34/06/383833406	VQACAWOJMMCZHK-UHFFFAOYSA-N	0	240.307	BC	0.646	0	Anodyne	ref	BCAARN	CC1(C)CC2(CC(C)(C)NC(=O)N2)NC(=O)N1	 
Nc1ccccc1C(=O)N1CCOCC1	ZINC000000134248	75/25/65/181752565	LFLIOZKEABTZIF-UHFFFAOYSA-N	0	206.245	BC	0.741	0	Anodyne	ref	BCAARN	Nc1ccccc1C(=O)N1CCOCC1	 
Cc1[nH]c(=O)c(C(=O)O)c(C)c1[N+](=O)[O-]	ZINC000000140411	67/67/08/342676708	GJSAGPKAERRLKB-UHFFFAOYSA-N	-2	212.161	BC	0.598	3	Bother	high	BCBAHL	Cc1[n-]c(=O)c(C(=O)[O-])c(C)c1[N+](=O)[O-]	 
Cc1[nH]c(=O)c(C(=O)O)c(C)c1[N+](=O)[O-]	ZINC000000140411	67/67/06/342676706	GJSAGPKAERRLKB-UHFFFAOYSA-N	-1	212.161	BC	0.598	0	Bother	ref	BCBARM	Cc1[nH]c(=O)c(C(=O)[O-])c(C)c1[N+](=O)[O-]	 
O=C(O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000000143615	67/70/18/342677018	NFWHHUCJMAPGHE-ZETCQYMHSA-N	-1	209.201	BC	0.713	0	Anodyne	ref	BCAARM	O=C([O-])[C@H]1CC(=O)N(Cc2ccco2)C1	 
O=C(O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000000143617	67/71/30/342677130	NFWHHUCJMAPGHE-SSDOTTSWSA-N	-1	209.201	BC	0.713	0	Anodyne	ref	BCAARM	O=C([O-])[C@@H]1CC(=O)N(Cc2ccco2)C1	 
COC(=O)c1cc(N)ccc1N1CCOCC1	ZINC000000153490	31/27/90/132312790	UDCGGVAQNYMTAZ-UHFFFAOYSA-N	0	236.271	BC	0.892	0	Anodyne	ref	BCAARN	COC(=O)c1cc(N)ccc1N1CCOCC1	 
CS(=O)(=O)N1CCc2cc(N)ccc21	ZINC000000154325	42/84/69/175428469	JLXKFJCABSSCPF-UHFFFAOYSA-N	0	212.274	BC	0.591	0	Anodyne	ref	BCAARN	CS(=O)(=O)N1CCc2cc(N)ccc21	 
Cc1c(CCO)c(=O)nc2n1CCS2	ZINC000000155662	67/75/92/342677592	LMLYCIGWWHJIBW-UHFFFAOYSA-N	0	212.274	BC	0.192	0	Anodyne	ref	BCAARN	Cc1c(CCO)c(=O)nc2n1CCS2	 
CC(=O)N1CCN(c2ccc(N)cc2)CC1	ZINC000000156781	31/29/13/132312913	AFVUJJNEILZYJQ-UHFFFAOYSA-N	0	219.288	BC	0.937	0	Clean	ref	BCCARN	CC(=O)N1CCN(c2ccc(N)cc2)CC1	 
O=C1NCN(c2ccccc2)C12CCNCC2	ZINC000000156951	83/61/04/383836104	HTQWGIHCFPWKAS-UHFFFAOYSA-N	1	231.299	BC	0.702	0	Anodyne	ref	BCAARO	O=C1NCN(c2ccccc2)C12CC[NH2+]CC2	in-vitro
O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)O	ZINC000000157056	24/41/47/187244147	SLBQXWXKPNIVSQ-UHFFFAOYSA-N	-2	211.129	BC	0.991	0	Bother	ref	BCBARL	O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)[O-]	in-vitro
O=C(O)c1ccc(N2CCOCC2)nc1	ZINC000000158858	31/27/79/132312779	XXDSDFLDYNISKD-UHFFFAOYSA-N	0	208.217	BC	0.616	2	Anodyne	low	BCAALN	O=C([O-])c1ccc(N2CCOCC2)[nH+]c1	 
O=C(O)c1ccc(N2CCOCC2)nc1	ZINC000000158858	31/27/78/132312778	XXDSDFLDYNISKD-UHFFFAOYSA-N	-1	208.217	BC	0.616	0	Anodyne	ref	BCAARM	O=C([O-])c1ccc(N2CCOCC2)nc1	 
COC(=O)c1nc2ccccc2[n+]([O-])c1C	ZINC000000161490	67/84/42/342678442	PMOVVYDWLXSPQT-UHFFFAOYSA-N	0	218.212	BC	0.963	0	Anodyne	ref	BCAARN	COC(=O)c1nc2ccccc2[n+]([O-])c1C	 
O=C(O)C1CCN(c2ncccn2)CC1	ZINC000000167343	31/28/61/132312861	DYVXURZASBPYFR-UHFFFAOYSA-N	-1	207.233	BC	0.778	0	Anodyne	ref	BCAARM	O=C([O-])C1CCN(c2ncccn2)CC1	 
CN(C)S(=O)(=O)c1ccc(N)cc1	ZINC000000167758	67/90/53/342679053	BABGMPQXLCJMSK-UHFFFAOYSA-N	0	200.263	BC	0.519	0	Anodyne	ref	BCAARN	CN(C)S(=O)(=O)c1ccc(N)cc1	 
O=C(O)c1cc(Br)c[nH]c1=O	ZINC000000169402	67/88/99/342678899	GYXOTADLHQJPIP-UHFFFAOYSA-N	-1	218.006	BC	0.836	0	Anodyne	ref	BCAARM	O=C([O-])c1cc(Br)c[nH]c1=O	 
N[C@H](CC(=O)O)c1ccc2c(c1)OCO2	ZINC000000170052	67/88/77/342678877	DJWMFJZOSZPAHI-SSDOTTSWSA-N	0	209.201	BC	0.89	0	Anodyne	ref	BCAARN	[NH3+][C@H](CC(=O)[O-])c1ccc2c(c1)OCO2	 
N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2	ZINC000000170053	53/89/93/181538993	DJWMFJZOSZPAHI-ZETCQYMHSA-N	0	209.201	BC	0.89	0	Anodyne	ref	BCAARN	[NH3+][C@@H](CC(=O)[O-])c1ccc2c(c1)OCO2	 
COc1ccc(-n2c(N)cc(=O)[nH]c2=O)cc1	ZINC000000171232	04/37/34/175043734	MXKBISQRMLJVPY-UHFFFAOYSA-N	0	233.227	BC	0.117	0	Anodyne	ref	BCAARN	COc1ccc(-n2c(N)cc(=O)[nH]c2=O)cc1	 
Cn1c(=O)n(C)c2cc(C(=O)O)ccc21	ZINC000000193974	67/98/58/342679858	YADNYMAVRMDIDZ-UHFFFAOYSA-N	-1	206.201	BC	0.575	0	Anodyne	ref	BCAARM	Cn1c(=O)n(C)c2cc(C(=O)[O-])ccc21	 
O=C(O)CSC(=S)N1CCOCC1	ZINC000000198722	84/08/94/383840894	JCECLSATASZQQB-UHFFFAOYSA-N	-1	221.303	BC	0.421	0	Anodyne	ref	BCAARM	O=C([O-])CSC(=S)N1CCOCC1	 
CN1CCN(c2ncnc3[nH]cnc23)CC1	ZINC000000213869	31/31/38/132313138	AXPCNBLIEMWMMG-UHFFFAOYSA-N	0	218.264	BC	0.105	3	Anodyne	high	BCAAHN	CN1CCN(c2ncnc3[nH]cnc23)CC1	in-vivo
CN1CCN(c2ncnc3[nH]cnc23)CC1	ZINC000000213869	31/31/34/132313134	AXPCNBLIEMWMMG-UHFFFAOYSA-N	1	218.264	BC	0.105	2	Anodyne	low	BCAALO	C[NH+]1CCN(c2ncnc3[nH]cnc23)CC1	in-vivo
CN1CCN(c2ncnc3[nH]cnc23)CC1	ZINC000000213869	31/31/32/132313132	AXPCNBLIEMWMMG-UHFFFAOYSA-N	0	218.264	BC	0.105	1	Anodyne	mid	BCAAMN	CN1CCN(c2ncnc3nc[nH]c23)CC1	in-vivo
CN1CCN(c2ncnc3[nH]cnc23)CC1	ZINC000000213869	31/31/29/132313129	AXPCNBLIEMWMMG-UHFFFAOYSA-N	1	218.264	BC	0.105	0	Anodyne	ref	BCAARO	C[NH+]1CCN(c2ncnc3nc[nH]c23)CC1	in-vivo
O=C(O)CCNS(=O)(=O)c1ccc(F)cc1	ZINC000000216076	84/48/97/383844897	UDQZLIWXZJFLPD-UHFFFAOYSA-N	-1	247.247	BC	0.579	0	Anodyne	ref	BCAARM	O=C([O-])CCNS(=O)(=O)c1ccc(F)cc1	 
O=C(O)CCn1nnc2ccccc2c1=O	ZINC000000225283	84/57/98/383845798	AHKDQGZBLDBPNI-UHFFFAOYSA-N	-1	219.2	BC	0.266	0	Anodyne	ref	BCAARM	O=C([O-])CCn1nnc2ccccc2c1=O	 
N[C@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226257	64/62/94/344646294	MBHARJQAJLMPIU-YUMQZZPRSA-N	-1	226.188	BC	0.04	3	Bother	high	BCBAHM	N[C@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	 
N[C@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226257	64/62/92/344646292	MBHARJQAJLMPIU-YUMQZZPRSA-N	0	226.188	BC	0.04	0	Bother	ref	BCBARN	[NH3+][C@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	 
N[C@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226258	64/55/60/344645560	MBHARJQAJLMPIU-JGVFFNPUSA-N	-1	226.188	BC	0.04	3	Bother	high	BCBAHM	N[C@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	 
N[C@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226258	64/55/58/344645558	MBHARJQAJLMPIU-JGVFFNPUSA-N	0	226.188	BC	0.04	0	Bother	ref	BCBARN	[NH3+][C@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	 
N[C@@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226259	64/63/87/344646387	MBHARJQAJLMPIU-SFYZADRCSA-N	-1	226.188	BC	0.04	3	Bother	high	BCBAHM	N[C@@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	 
N[C@@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226259	64/63/83/344646383	MBHARJQAJLMPIU-SFYZADRCSA-N	0	226.188	BC	0.04	0	Bother	ref	BCBARN	[NH3+][C@@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	 
N[C@@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226260	64/55/25/344645525	MBHARJQAJLMPIU-HTQZYQBOSA-N	-1	226.188	BC	0.04	3	Bother	high	BCBAHM	N[C@@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	 
N[C@@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000226260	64/55/24/344645524	MBHARJQAJLMPIU-HTQZYQBOSA-N	0	226.188	BC	0.04	0	Bother	ref	BCBARN	[NH3+][C@@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	 
O=C(N[C@@H]1CSC[C@H]1O)c1ccccc1	ZINC000000236559	31/66/48/182316648	ZQHSEPZRRTWBRY-NXEZZACHSA-N	0	223.297	BC	0.893	0	Anodyne	ref	BCAARN	O=C(N[C@@H]1CSC[C@H]1O)c1ccccc1	 
O=C(O)CCS(=O)(=O)c1ccccc1	ZINC000000245034	44/96/58/182449658	WGTYYNCSWCKXAI-UHFFFAOYSA-N	-1	214.242	BC	0.935	0	Anodyne	ref	BCAARM	O=C([O-])CCS(=O)(=O)c1ccccc1	 
COC(=O)c1nnn(-c2ccccc2)c1N	ZINC000000256574	68/12/98/342681298	XELSIYWNEIGXMY-UHFFFAOYSA-N	0	218.216	BC	0.636	0	Anodyne	ref	BCAARN	COC(=O)c1nnn(-c2ccccc2)c1N	 
O=C(O)Cn1nc(-c2ccccc2)ccc1=O	ZINC000000259814	84/86/09/383848609	LCGVBLNLPUJFQB-UHFFFAOYSA-N	-1	230.223	BC	0.995	0	Anodyne	ref	BCAARM	O=C([O-])Cn1nc(-c2ccccc2)ccc1=O	 
CCS(=O)(=O)N1CCC(C(=O)O)CC1	ZINC000000259871	68/16/99/342681699	FXILSJTWIHHRJV-UHFFFAOYSA-N	-1	221.278	BC	0.133	0	Anodyne	ref	BCAARM	CCS(=O)(=O)N1CCC(C(=O)[O-])CC1	 
Cc1cc(C)n2nc(CC(=O)O)nc2n1	ZINC000000260783	68/17/15/342681715	PFEYZNRDVANGLJ-UHFFFAOYSA-N	-1	206.205	BC	0.368	0	Anodyne	ref	BCAARM	Cc1cc(C)n2nc(CC(=O)[O-])nc2n1